A0A077ZCY7_TRITR Loading...

sn-1-specific diacylglycerol lipase

AlphaFold DB , UniProt , Accession A0A077ZCY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 650 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low77.5Confident40 Ų4058.3 Ų58.320%0.19727%0.272CS..  0570-73170152.500111.7S3 I86 F87 D216 L217 L510M1-S3 PolarHBondContact O-N 3.35Å; M1-I86 HydrophobicContact CE-CG2 3.57Å; M1-I86 HydrophobicContact CG-CG2 4.08Å; M1-F87 HydrophobicContact CB-CD1 4.46Å; M1-F87 HydrophobicContact CB-CE1 4.36Å; M1-F87 HydrophobicContact CE-CD1 4.45Å; M1-F87 HydrophobicContact CE-CD2 3.88Å; M1-F87 HydrophobicContact CE-CE1 3.79Å; M1-F87 HydrophobicContact CE-CE2 3.08Å; M1-F87 HydrophobicContact CE-CG 4.49Å; M1-F87 HydrophobicContact CE-CZ 3.05Å; M1-F87 HydrophobicContact CG-CD1 3.56Å; M1-F87 HydrophobicContact CG-CD2 4.27Å; M1-F87 HydrophobicContact CG-CE1 3.41Å; M1-F87 VanDerWaalsContact CG-CE1 3.41Å; M1-F87 HydrophobicContact CG-CE2 4.13Å; M1-F87 HydrophobicContact CG-CG 4Å; M1-F87 HydrophobicContact CG-CZ 3.73Å; M1-F87 HydrophobicContact SD-CD1 4.02Å; M1-F87 HydrophobicContact SD-CD2 4.49Å; M1-F87 HydrophobicContact SD-CE1 3.22Å; M1-F87 WeakPolarHBondContact SD-CE1 3.24Å; M1-F87 HydrophobicContact SD-CE2 3.77Å; M1-F87 HydrophobicContact SD-CZ 3.08Å; M1-F87 WeakPolarHBondContact SD-CZ 3.45Å; M1-D216 VanDerWaalsContact O-CB 3.25Å; M1-D216 WeakPolarHBondContact O-CB 3.37Å; M1-L217 HydrophobicContact CE-CD2 3.37Å; M1-L217 HydrophobicContact SD-CD2 3.49Å; M1-L217 WeakPolarHBondContact SD-CD2 3.45Å; M1-L217 HydrophobicContact SD-CG 4.26Å; M1-L510 HydrophobicContact CE-CB 3.7Å; M1-L510 HydrophobicContact CE-CD1 3.75Å; M1-L510 HydrophobicContact CE-CG 4.26Å
2P65.7Low77.5Confident63 Ų6356.7 Ų56.741%0.40928%0.276SS..  trans-81.8119.4173.231-26.5000107.9A89P2-A89 HydrophobicContact CG-CB 4.41Å
3S74.5Confident78Confident3 Ų353.3 Ų53.32%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-33.3143.5144.150.20000111.7M1 R5 R10 W11 D216M1-S3 PolarHBondContact O-N 3.35Å; S3-R5 PolarHBondContact O-N 3.33Å; S3-R10 WeakPolarHBondContact OG-CD 3.27Å; S3-R10 WeakPolarHBondContact OG-CG 3.48Å; S3-R10 PolarHBondContact OG-NE 2.84Å; S3-W11 WeakPolarHBondContact CB-O 3.47Å; S3-D216 WeakPolarHBondContact CB-OD1 3.39Å; S3-D216 PolarHBondContact N-OD1 3.38Å; S3-D216 PolarHBondContact OG-OD1 3.32Å; S3-D216 PolarHBondContact OG-OD2 3.02Å
4I82.9Confident78.5Confident8 Ų849.7 Ų49.74%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-65.6133.3-176.1-160.9172.3000110.2M6 W11 V13 F18 V95 P96 L99I4-M6 HydrophobicContact CD1-CG 4.26Å; I4-M6 HydrophobicContact CD1-SD 4.12Å; I4-M6 HydrophobicContact CG1-CG 4.21Å; I4-W11 HydrophobicContact CG2-CB 3.83Å; I4-W11 HydrophobicContact CG2-CG 4.3Å; I4-W11 PolarHBondContact O-N 3.14Å; I4-V13 HydrophobicContact CG2-CG1 3.61Å; I4-V13 WeakPolarHBondContact CG2-O 3.48Å; I4-V13 PolarHBondContact N-O 3.4Å; I4-F18 HydrophobicContact CD1-CE2 4.12Å; I4-V95 HydrophobicContact CD1-CG1 3.98Å; I4-P96 HydrophobicContact CD1-CB 4.49Å; I4-P96 HydrophobicContact CD1-CG 4.01Å; I4-P96 HydrophobicContact CG1-CG 4.04Å; I4-L99 HydrophobicContact CD1-CD1 3.48Å; I4-L99 VanDerWaalsContact CD1-CD1 3.48Å
5R81.4Confident79.2Confident143 Ų14347.1 Ų47.154%0.5423%0.233SC..EExtended strand (participates in β ladder)trans-99.9115.8171.6-67.9-174-177.11800.6109.6S3 R9 H166S3-R5 PolarHBondContact O-N 3.33Å; R5-R9 CarbonylContact C-O 3.54Å; R5-R9 VanDerWaalsContact CA-O 3.24Å; R5-R9 WeakPolarHBondContact CA-O 3.14Å; R5-H166 PolarHBondContact NH2-CE1 3Å
6M82.1Confident79.8Confident12 Ų1244.9 Ų44.96%0.05922%0.223CC..EExtended strand (participates in β ladder)trans-138.5144.5176.3-74.3-171.871.300110.1I4 N8 R9 W11 P96 L99 Y100I4-M6 HydrophobicContact CD1-CG 4.26Å; I4-M6 HydrophobicContact CD1-SD 4.12Å; I4-M6 HydrophobicContact CG1-CG 4.21Å; M6-N8 PolarHBondContact O-N 3.38Å; M6-R9 PolarHBondContact N-O 3.46Å; M6-R9 PolarHBondContact O-N 3.31Å; M6-W11 PolarHBondContact O-NE1 3.2Å; M6-P96 HydrophobicContact CG-CB 4.16Å; M6-L99 HydrophobicContact CE-CB 3.41Å; M6-L99 VanDerWaalsContact CE-CB 3.41Å; M6-L99 HydrophobicContact SD-CB 3.51Å; M6-L99 VanDerWaalsContact SD-CB 3.51Å; M6-L99 HydrophobicContact SD-CD1 3.5Å; M6-L99 VanDerWaalsContact SD-CD1 3.5Å; M6-L99 HydrophobicContact SD-CG 4.17Å; M6-Y100 HydrophobicContact CE-CD1 3.76Å; M6-Y100 HydrophobicContact CE-CD2 4.31Å; M6-Y100 HydrophobicContact CE-CE1 3.8Å; M6-Y100 HydrophobicContact CE-CE2 4.35Å; M6-Y100 HydrophobicContact CE-CG 4.02Å
7F83.3Confident80.4Confident112 Ų11243.4 Ų43.449%0.49122%0.215SC..THydrogen-bonded Turntrans54.736.5-176.6-53.5-79.8000113.3R9 W11 Y100F7-R9 PolarHBondContact O-N 3.22Å; F7-W11 HydrophobicContact CD2-CZ2 4.33Å; F7-Y100 HydrophobicContact CD1-CD1 4.47Å; F7-Y100 AromaticContact CD1-CE1 3.7Å; F7-Y100 HydrophobicContact CD1-CE1 3.7Å; F7-Y100 HydrophobicContact CD2-CE1 4.14Å; F7-Y100 AromaticContact CE1-CD1 3.76Å; F7-Y100 HydrophobicContact CE1-CD1 3.76Å; F7-Y100 AromaticContact CE1-CE1 3.43Å; F7-Y100 HydrophobicContact CE1-CE1 3.43Å; F7-Y100 VanDerWaalsContact CE1-CE1 3.43Å; F7-Y100 HydrophobicContact CE2-CD1 4.23Å; F7-Y100 AromaticContact CE2-CE1 3.89Å; F7-Y100 HydrophobicContact CE2-CE1 3.89Å; F7-Y100 HydrophobicContact CG-CE1 4.05Å; F7-Y100 AromaticContact CZ-CD1 3.61Å; F7-Y100 HydrophobicContact CZ-CD1 3.61Å; F7-Y100 AromaticContact CZ-CE1 3.53Å; F7-Y100 HydrophobicContact CZ-CE1 3.53Å; F7-Y100 PolarHBondContact N-OH 3.2Å
8N80.5Confident81Confident161 Ų16142.7 Ų42.786%0.86121%0.211SC*.THydrogen-bonded Turntrans56.231.7-174.4-152.727.9000113.6M6M6-N8 PolarHBondContact O-N 3.38Å
9R84.1Confident81.6Confident39 Ų3940.8 Ų40.815%0.14720%0.202CC..EExtended strand (participates in β ladder)trans-134.9144.3177.2-61.6-178.364.3114.710109.9R5 M6 F7 D160 P161 G163 R164R5-R9 CarbonylContact C-O 3.54Å; R5-R9 VanDerWaalsContact CA-O 3.24Å; R5-R9 WeakPolarHBondContact CA-O 3.14Å; M6-R9 PolarHBondContact N-O 3.46Å; M6-R9 PolarHBondContact O-N 3.31Å; F7-R9 PolarHBondContact O-N 3.22Å; R9-D160 PolarHBondContact NH2-O 3.32Å; R9-P161 PolarHBondContact NH2-O 3.37Å; R9-G163 CarbonylContact C-O 3.54Å; R9-G163 WeakPolarHBondContact CA-O 3.13Å; R9-R164 HydrophobicContact CG-CG 3.72Å
10R79.1Confident82.1Confident29 Ų2942.9 Ų42.911%0.10921%0.21CC..EExtended strand (participates in β ladder)trans-72.7147.2161.4164.9169.6-176.4-147.24.8110.2S3 G163 H167 D216S3-R10 WeakPolarHBondContact OG-CD 3.27Å; S3-R10 WeakPolarHBondContact OG-CG 3.48Å; S3-R10 PolarHBondContact OG-NE 2.84Å; R10-G163 WeakPolarHBondContact CB-O 3.48Å; R10-G163 PolarHBondContact N-O 3.37Å; R10-G163 WeakPolarHBondContact O-CA 2.99Å; R10-H167 PolarHBondContact NH1-CD2 3.24Å; R10-H167 PolarHBondContact NH1-CE1 3.33Å; R10-H167 PolarHBondContact NH1-ND1 3.46Å; R10-H167 VanDerWaalsContact NH1-ND1 3.19Å; R10-H167 PolarHBondContact NH1-NE2 3.21Å; R10-H167 PolarHBondContact NH2-NE2 3.29Å; R10-H167 VanDerWaalsContact NH2-NE2 3.17Å; R10-D216 IonicContact CZ-OD1 3.76Å; R10-D216 IonicContact NE-OD1 3.71Å; R10-D216 PolarHBondContact NE-OD1 3.12Å; R10-D216 IonicContact NH1-OD1 3.44Å; R10-D216 IonicContact NH2-OD1 3.89Å; R10-D216 PolarHBondContact NH2-OD1 3.36Å
11W79.8Confident82.5Confident31 Ų3144.4 Ų44.412%0.11722%0.223CC..EExtended strand (participates in β ladder)trans-123155.7176.4-69.972.7000110.1S3 I4 M6 F7 V13 V155 I158 F159S3-W11 WeakPolarHBondContact CB-O 3.47Å; I4-W11 HydrophobicContact CG2-CB 3.83Å; I4-W11 HydrophobicContact CG2-CG 4.3Å; I4-W11 PolarHBondContact O-N 3.14Å; M6-W11 PolarHBondContact O-NE1 3.2Å; F7-W11 HydrophobicContact CD2-CZ2 4.33Å; W11-V13 HydrophobicContact CB-CG1 3.98Å; W11-V13 PolarHBondContact O-N 3.04Å; W11-V155 HydrophobicContact CH2-CG1 4.11Å; W11-V155 HydrophobicContact CZ3-CG1 4.09Å; W11-I158 HydrophobicContact CE3-CD1 4.18Å; W11-I158 HydrophobicContact CE3-CG1 3.9Å; W11-I158 HydrophobicContact CZ3-CD1 4.33Å; W11-I158 HydrophobicContact CZ3-CG1 4.01Å; W11-F159 HydrophobicContact CE3-CD2 4.41Å; W11-F159 AromaticContact CH2-CD2 3.79Å; W11-F159 HydrophobicContact CH2-CD2 3.79Å; W11-F159 HydrophobicContact CH2-CE2 4.48Å; W11-F159 HydrophobicContact CZ2-CD2 4.35Å; W11-F159 HydrophobicContact CZ3-CB 4.15Å; W11-F159 AromaticContact CZ3-CD2 3.82Å; W11-F159 HydrophobicContact CZ3-CD2 3.82Å; W11-F159 HydrophobicContact CZ3-CG 4.49Å
12A77.1Confident84.2Confident39 Ų3942.8 Ų42.832%0.32222%0.216SC..EExtended strand (participates in β ladder)trans-79.536.8-18000000112.7I158 D160A12-I158 PolarHBondContact N-O 3.38Å; A12-I158 VanDerWaalsContact N-O 3.13Å; A12-D160 HydrophobicContact CB-CB 4.38Å
13V84.2Confident85.5Confident13 Ų1343.5 Ų43.58%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-145140.9-176.470.60000110.5I4 W11 D17 F18 I158I4-V13 HydrophobicContact CG2-CG1 3.61Å; I4-V13 WeakPolarHBondContact CG2-O 3.48Å; I4-V13 PolarHBondContact N-O 3.4Å; W11-V13 HydrophobicContact CB-CG1 3.98Å; W11-V13 PolarHBondContact O-N 3.04Å; V13-D17 HydrophobicContact CG2-CB 3.49Å; V13-D17 VanDerWaalsContact CG2-CB 3.49Å; V13-D17 WeakPolarHBondContact CG2-OD2 3.47Å; V13-F18 HydrophobicContact CG1-CE2 4.13Å; V13-F18 HydrophobicContact CG1-CZ 3.98Å; V13-F18 HydrophobicContact CG2-CE2 4.17Å; V13-F18 HydrophobicContact CG2-CZ 4.27Å; V13-I158 HydrophobicContact CB-CB 4.37Å; V13-I158 HydrophobicContact CB-CG2 4.38Å; V13-I158 HydrophobicContact CG1-CD1 4.28Å
14G85.2Confident86.3Confident3 Ų347.3 Ų47.33%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-83.9155.817600000111.9D16 D17 F18G14-D16 PolarHBondContact O-N 2.55Å; G14-D17 WeakPolarHBondContact CA-OD2 3.41Å; G14-D17 PolarHBondContact N-OD2 3.29Å; G14-D17 WeakPolarHBondContact O-CB 3.49Å; G14-D17 PolarHBondContact O-N 3.45Å; G14-D17 VanDerWaalsContact O-N 3.16Å; G14-F18 WeakPolarHBondContact O-CE2 3.28Å
15S88.4Confident86.7Confident10 Ų1049 Ų497%0.0725%0.247CC..THydrogen-bonded Turntrans-65-21.717651.90000113.8S81 R92S15-S81 PolarHBondContact O-OG 2.94Å; S15-R92 PolarHBondContact OG-NE 2.8Å
16D89.3Confident87.3Confident13 Ų1342.4 Ų42.47%0.0722%0.223CC..THydrogen-bonded Turntrans-89.3-5.8176.453.4-23.5000113.9G14 F18 S81 K517G14-D16 PolarHBondContact O-N 2.55Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.84Å; D16-S81 VanDerWaalsContact C-OG 3.3Å; D16-S81 WeakPolarHBondContact CA-O 3.48Å; D16-S81 VanDerWaalsContact CA-OG 3.28Å; D16-S81 WeakPolarHBondContact CA-OG 3.41Å; D16-S81 PolarHBondContact O-OG 2.73Å; D16-K517 IonicContact OD1-NZ 3.24Å; D16-K517 PolarHBondContact OD1-NZ 3.44Å; D16-K517 WeakPolarHBondContact OD2-CB 3.45Å; D16-K517 WeakPolarHBondContact OD2-CD 3.38Å; D16-K517 WeakPolarHBondContact OD2-CE 3.41Å; D16-K517 IonicContact OD2-NZ 3.21Å; D16-K517 PolarHBondContact OD2-NZ 2.88Å
17D89.9Confident87.9Confident18 Ų1848.3 Ų48.310%0.09625%0.249CC..THydrogen-bonded Turntrans-77.3-13.7177.7-70.4-27.8000113.4V13 G14 V19 P21 T220 K517V13-D17 HydrophobicContact CG2-CB 3.49Å; V13-D17 VanDerWaalsContact CG2-CB 3.49Å; V13-D17 WeakPolarHBondContact CG2-OD2 3.47Å; G14-D17 WeakPolarHBondContact CA-OD2 3.41Å; G14-D17 PolarHBondContact N-OD2 3.29Å; G14-D17 WeakPolarHBondContact O-CB 3.49Å; G14-D17 PolarHBondContact O-N 3.45Å; G14-D17 VanDerWaalsContact O-N 3.16Å; D17-V19 PolarHBondContact O-N 3Å; D17-P21 WeakPolarHBondContact O-CD 3.45Å; D17-P21 WeakPolarHBondContact O-CG 3.3Å; D17-T220 WeakPolarHBondContact OD1-CB 3.46Å; D17-T220 WeakPolarHBondContact OD1-CG2 3.21Å; D17-T220 PolarHBondContact OD1-OG1 3.47Å; D17-T220 PolarHBondContact OD2-OG1 3.36Å; D17-T220 VanDerWaalsContact OD2-OG1 3.08Å; D17-K517 WeakPolarHBondContact OD1-CE 3.47Å; D17-K517 IonicContact OD1-NZ 3.66Å; D17-K517 PolarHBondContact OD1-NZ 2.95Å; D17-K517 IonicContact OD2-NZ 3.13Å
18F91.7Very high88.2Confident31 Ų3146.5 Ų46.514%0.13625%0.247CC..THydrogen-bonded Turntrans-78.9-3.2-175.2-68.3-85000113.5I4 V13 G14 D16 A22 T77 S81 V95 L99I4-F18 HydrophobicContact CD1-CE2 4.12Å; V13-F18 HydrophobicContact CG1-CE2 4.13Å; V13-F18 HydrophobicContact CG1-CZ 3.98Å; V13-F18 HydrophobicContact CG2-CE2 4.17Å; V13-F18 HydrophobicContact CG2-CZ 4.27Å; G14-F18 WeakPolarHBondContact O-CE2 3.28Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.84Å; F18-A22 WeakPolarHBondContact O-CB 3.33Å; F18-A22 PolarHBondContact O-N 2.86Å; F18-A22 VanDerWaalsContact O-N 3.09Å; F18-T77 HydrophobicContact CB-CG2 4.21Å; F18-S81 PolarHBondContact N-OG 3.4Å; F18-V95 HydrophobicContact CD2-CG1 3.95Å; F18-V95 HydrophobicContact CE2-CG1 4.44Å; F18-L99 HydrophobicContact CD1-CD1 4.41Å; F18-L99 HydrophobicContact CD1-CD2 3.78Å; F18-L99 HydrophobicContact CD2-CD1 4.2Å; F18-L99 HydrophobicContact CE1-CD1 3.87Å; F18-L99 HydrophobicContact CE1-CD2 3.57Å; F18-L99 HydrophobicContact CE1-CG 4.37Å; F18-L99 HydrophobicContact CE2-CD1 3.63Å; F18-L99 HydrophobicContact CG-CD2 4.43Å; F18-L99 HydrophobicContact CZ-CD1 3.44Å; F18-L99 VanDerWaalsContact CZ-CD1 3.44Å; F18-L99 HydrophobicContact CZ-CD2 4.07Å; F18-L99 HydrophobicContact CZ-CG 4.41Å
19V92.6Very high88.8Confident7 Ų739.6 Ų39.64%0.04221%0.209CC..Hα-helixtrans-59.3-59.9176.4-178.20000111.5D17 L23 S81 Y518D17-V19 PolarHBondContact O-N 3Å; V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 WeakPolarHBondContact O-CB 3.47Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.25Å; V19-L23 PolarHBondContact O-N 3.21Å; V19-S81 PolarHBondContact N-OG 3.22Å; V19-Y518 HydrophobicContact CG1-CG 4.27Å
20F91.8Very high89.2Confident83 Ų8340.4 Ų40.436%0.36422%0.22SC..Hα-helixtrans-70.8-43.9-175.7-58.5-70.8000113.7A22 L23 T24 L521 V522F20-A22 VanDerWaalsContact C-N 3.31Å; F20-A22 PolarHBondContact O-N 3.43Å; F20-L23 PolarHBondContact O-N 2.78Å; F20-T24 VanDerWaalsContact O-CB 3.3Å; F20-T24 WeakPolarHBondContact O-CB 3.41Å; F20-T24 PolarHBondContact O-N 2.79Å; F20-T24 PolarHBondContact O-OG1 3.12Å; F20-L521 HydrophobicContact CE2-CB 3.96Å; F20-L521 HydrophobicContact CE2-CD1 3.7Å; F20-L521 HydrophobicContact CE2-CG 4.47Å; F20-L521 HydrophobicContact CZ-CB 4.03Å; F20-V522 HydrophobicContact CE1-CG2 3.73Å; F20-V522 HydrophobicContact CZ-CG2 3.77Å
21P90.6Very high89.7Confident75 Ų7544 Ų4449%0.48724%0.241SC..Hα-helixtrans-58.5-42.8174.9-25.436000112.2D17 T24 E25D17-P21 WeakPolarHBondContact O-CD 3.45Å; D17-P21 WeakPolarHBondContact O-CG 3.3Å; P21-T24 PolarHBondContact O-N 3.24Å; P21-E25 WeakPolarHBondContact O-CB 3.35Å; P21-E25 PolarHBondContact O-N 2.7Å
22A93.1Very high90.1Very high6 Ų645 Ų455%0.0524%0.244CC..Hα-helixtrans-72.5-36.2-179.300000112.6F18 F20 A26 S74 T77 A78F18-A22 WeakPolarHBondContact O-CB 3.33Å; F18-A22 PolarHBondContact O-N 2.86Å; F18-A22 VanDerWaalsContact O-N 3.09Å; F20-A22 VanDerWaalsContact C-N 3.31Å; F20-A22 PolarHBondContact O-N 3.43Å; A22-A26 WeakPolarHBondContact O-CB 3.21Å; A22-A26 PolarHBondContact O-N 2.95Å; A22-S74 VanDerWaalsContact CB-O 3.32Å; A22-S74 WeakPolarHBondContact CB-O 3.03Å; A22-S74 WeakPolarHBondContact O-CB 3.4Å; A22-T77 HydrophobicContact CB-CG2 4.4Å; A22-A78 HydrophobicContact CB-CB 4.06Å
23L94.6Very high90.8Very high78 Ų7845.2 Ų45.241%0.40824%0.24SC..Hα-helixtrans-65.3-41.9171.5-73.1175.3000112.1V19 F20 A26 F27 L75 A78V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 WeakPolarHBondContact O-CB 3.47Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.25Å; V19-L23 PolarHBondContact O-N 3.21Å; F20-L23 PolarHBondContact O-N 2.78Å; L23-A26 PolarHBondContact O-N 3.02Å; L23-F27 WeakPolarHBondContact O-CB 3.41Å; L23-F27 PolarHBondContact O-N 2.94Å; L23-L75 HydrophobicContact CD2-CD2 4.16Å; L23-A78 HydrophobicContact CD2-CB 3.95Å; L23-A78 HydrophobicContact CG-CB 3.87Å
24T91.2Very high91Very high83 Ų8347.2 Ų47.251%0.50926%0.258SS..Hα-helixtrans-63.7-44.3177.2-55.40000110.5F20 P21 F27 V28F20-T24 VanDerWaalsContact O-CB 3.3Å; F20-T24 WeakPolarHBondContact O-CB 3.41Å; F20-T24 PolarHBondContact O-N 2.79Å; F20-T24 PolarHBondContact O-OG1 3.12Å; P21-T24 PolarHBondContact O-N 3.24Å; T24-F27 PolarHBondContact O-N 3.47Å; T24-V28 WeakPolarHBondContact O-CG2 3.49Å; T24-V28 PolarHBondContact O-N 3.36Å
25E91.2Very high91.3Very high44 Ų4450.4 Ų50.421%0.20627%0.271CS..Hα-helixtrans-59.8-48.3174179.4176-160.800111.2P21 F27 V28 R29 S74 R102P21-E25 WeakPolarHBondContact O-CB 3.35Å; P21-E25 PolarHBondContact O-N 2.7Å; E25-F27 VanDerWaalsContact C-N 3.28Å; E25-F27 PolarHBondContact O-N 3.22Å; E25-V28 PolarHBondContact O-N 2.86Å; E25-R29 HydrophobicContact CG-CG 4.22Å; E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.49Å; E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 IonicContact OE1-CZ 2.8Å; E25-R29 IonicContact OE1-NE 3.23Å; E25-R29 PolarHBondContact OE1-NE 2.86Å; E25-R29 IonicContact OE1-NH2 2.93Å; E25-S74 PolarHBondContact OE2-OG 3.06Å; E25-R102 IonicContact OE1-CZ 3.67Å; E25-R102 IonicContact OE1-NE 3.57Å; E25-R102 PolarHBondContact OE1-NE 3.36Å; E25-R102 IonicContact OE1-NH2 3.12Å; E25-R102 PolarHBondContact OE1-NH2 2.72Å; E25-R102 IonicContact OE2-NE 2.88Å; E25-R102 IonicContact OE2-NH2 2.92Å
26A94.1Very high91.3Very high4 Ų450 Ų503%0.03327%0.268CS..Hα-helixtrans-59.4-40.6178.500000111.7A22 L23 S30 L75A22-A26 WeakPolarHBondContact O-CB 3.21Å; A22-A26 PolarHBondContact O-N 2.95Å; L23-A26 PolarHBondContact O-N 3.02Å; A26-S30 VanDerWaalsContact O-CB 3.3Å; A26-S30 WeakPolarHBondContact O-CB 3.18Å; A26-S30 PolarHBondContact O-N 3.4Å; A26-S30 PolarHBondContact O-OG 2.92Å; A26-L75 HydrophobicContact CB-CD2 3.88Å; A26-L75 HydrophobicContact CB-CG 4.01Å
27F94Very high91.4Very high136 Ų13652.3 Ų52.360%0.59628%0.283SS*.Hα-helixtrans-64.6-52.6177.1178.3-103.9000112.1L23 T24 E25 R29 S30 I31L23-F27 WeakPolarHBondContact O-CB 3.41Å; L23-F27 PolarHBondContact O-N 2.94Å; T24-F27 PolarHBondContact O-N 3.47Å; E25-F27 VanDerWaalsContact C-N 3.28Å; E25-F27 PolarHBondContact O-N 3.22Å; F27-R29 VanDerWaalsContact C-N 3.32Å; F27-R29 PolarHBondContact O-N 3.24Å; F27-S30 WeakPolarHBondContact O-CB 3.5Å; F27-S30 PolarHBondContact O-N 3.01Å; F27-S30 VanDerWaalsContact O-N 3.08Å; F27-I31 HydrophobicContact CD1-CD1 4.11Å; F27-I31 HydrophobicContact CE1-CD1 3.52Å; F27-I31 HydrophobicContact CE2-CD1 4.31Å; F27-I31 HydrophobicContact CZ-CD1 3.64Å; F27-I31 HydrophobicContact CZ-CG1 4.47Å; F27-I31 PolarHBondContact O-N 3.35Å; F27-I31 VanDerWaalsContact O-N 3.09Å
28V90.6Very high91.4Very high74 Ų7457 Ų5745%0.44831%0.307SS..Hα-helixtrans-59.1-451781720000110.6T24 E25 S30 I31 W32T24-V28 WeakPolarHBondContact O-CG2 3.49Å; T24-V28 PolarHBondContact O-N 3.36Å; E25-V28 PolarHBondContact O-N 2.86Å; V28-S30 VanDerWaalsContact C-N 3.29Å; V28-S30 PolarHBondContact O-N 3.21Å; V28-I31 PolarHBondContact O-N 3.29Å; V28-W32 WeakPolarHBondContact O-CB 3.49Å; V28-W32 PolarHBondContact O-N 2.95Å
29R91.6Very high91.2Very high16 Ų1655.8 Ų55.86%0.0630%0.302CS..Hα-helixtrans-66.6-28.1177.2-73.7-173.6174.9-86.92.5113E25 F27 W32 L33 N67 I71 D109E25-R29 HydrophobicContact CG-CG 4.22Å; E25-R29 VanDerWaalsContact O-CB 3.27Å; E25-R29 WeakPolarHBondContact O-CB 3.49Å; E25-R29 WeakPolarHBondContact O-CG 3.49Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 IonicContact OE1-CZ 2.8Å; E25-R29 IonicContact OE1-NE 3.23Å; E25-R29 PolarHBondContact OE1-NE 2.86Å; E25-R29 IonicContact OE1-NH2 2.93Å; F27-R29 VanDerWaalsContact C-N 3.32Å; F27-R29 PolarHBondContact O-N 3.24Å; R29-W32 CarbonylContact O-C 3.49Å; R29-W32 WeakPolarHBondContact O-CB 3.4Å; R29-W32 PolarHBondContact O-N 3.33Å; R29-L33 WeakPolarHBondContact O-CB 3.43Å; R29-L33 PolarHBondContact O-N 3.21Å; R29-N67 WeakPolarHBondContact CB-OD1 3.48Å; R29-N67 WeakPolarHBondContact CD-OD1 3.43Å; R29-N67 WeakPolarHBondContact CG-OD1 3.47Å; R29-N67 PolarHBondContact NH1-OD1 3.34Å; R29-N67 PolarHBondContact O-ND2 3.39Å; R29-I71 HydrophobicContact CB-CD1 4.11Å; R29-I71 HydrophobicContact CB-CG1 3.59Å; R29-D109 IonicContact CZ-OD1 2.95Å; R29-D109 IonicContact NH1-OD1 2.74Å; R29-D109 IonicContact NH2-OD1 3.31Å; R29-D109 PolarHBondContact NH2-OD1 3.48Å; R29-D109 VanDerWaalsContact NH2-OD1 3.12Å; R29-D109 IonicContact NH2-OD2 2.59Å; R29-D109 PolarHBondContact NH2-OD2 3.23Å
30S92.4Very high90.9Very high56 Ų5656 Ų5639%0.39230%0.303SS..Hα-helixtrans-71.9-42175.9-62.80000112.1A26 F27 V28 W32 L33 A34A26-S30 VanDerWaalsContact O-CB 3.3Å; A26-S30 WeakPolarHBondContact O-CB 3.18Å; A26-S30 PolarHBondContact O-N 3.4Å; A26-S30 PolarHBondContact O-OG 2.92Å; F27-S30 WeakPolarHBondContact O-CB 3.5Å; F27-S30 PolarHBondContact O-N 3.01Å; F27-S30 VanDerWaalsContact O-N 3.08Å; V28-S30 VanDerWaalsContact C-N 3.29Å; V28-S30 PolarHBondContact O-N 3.21Å; S30-W32 VanDerWaalsContact C-N 3.26Å; S30-W32 PolarHBondContact O-N 2.7Å; S30-L33 WeakPolarHBondContact O-CB 3.18Å; S30-L33 PolarHBondContact O-N 2.88Å; S30-A34 PolarHBondContact O-N 3.07Å
31I90.3Very high90.6Very high105 Ų10554.9 Ų54.954%0.53830%0.303SS..Hα-helixtrans-59.1-44.8170.4-64.8171.2000109.5F27 V28 L33 A34 F35F27-I31 HydrophobicContact CD1-CD1 4.11Å; F27-I31 HydrophobicContact CE1-CD1 3.52Å; F27-I31 HydrophobicContact CE2-CD1 4.31Å; F27-I31 HydrophobicContact CZ-CD1 3.64Å; F27-I31 HydrophobicContact CZ-CG1 4.47Å; F27-I31 PolarHBondContact O-N 3.35Å; F27-I31 VanDerWaalsContact O-N 3.09Å; V28-I31 PolarHBondContact O-N 3.29Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.34Å; I31-A34 PolarHBondContact O-N 3.43Å; I31-F35 PolarHBondContact O-N 2.85Å
32W88.4Confident90.3Very high50 Ų5054.5 Ų54.519%0.18929%0.292CS..Hα-helixtrans-63-38.3177.6-167.6-121.2000113.4V28 R29 S30 A34 F35 I36 V139 L140 A143V28-W32 WeakPolarHBondContact O-CB 3.49Å; V28-W32 PolarHBondContact O-N 2.95Å; R29-W32 CarbonylContact O-C 3.49Å; R29-W32 WeakPolarHBondContact O-CB 3.4Å; R29-W32 PolarHBondContact O-N 3.33Å; S30-W32 VanDerWaalsContact C-N 3.26Å; S30-W32 PolarHBondContact O-N 2.7Å; W32-A34 VanDerWaalsContact C-N 3.33Å; W32-A34 PolarHBondContact O-N 3.24Å; W32-F35 HydrophobicContact CE3-CD1 4.29Å; W32-F35 HydrophobicContact CH2-CD1 4.03Å; W32-F35 HydrophobicContact CH2-CE1 4.26Å; W32-F35 AromaticContact CZ3-CD1 3.79Å; W32-F35 HydrophobicContact CZ3-CD1 3.79Å; W32-F35 HydrophobicContact CZ3-CE1 4.26Å; W32-F35 WeakPolarHBondContact O-CB 3.29Å; W32-F35 PolarHBondContact O-N 2.76Å; W32-I36 HydrophobicContact CG-CD1 4.11Å; W32-I36 WeakPolarHBondContact O-CG1 3.43Å; W32-I36 PolarHBondContact O-N 2.64Å; W32-V139 HydrophobicContact CH2-CG1 4.42Å; W32-L140 HydrophobicContact CH2-CB 4.46Å; W32-L140 HydrophobicContact CH2-CD2 3.6Å; W32-L140 HydrophobicContact CH2-CG 4.39Å; W32-L140 VanDerWaalsContact CZ2-CA 3.49Å; W32-L140 HydrophobicContact CZ2-CB 4.11Å; W32-L140 HydrophobicContact CZ2-CD2 3.2Å; W32-L140 HydrophobicContact CZ2-CG 4.16Å; W32-L140 HydrophobicContact CZ3-CD2 4.48Å; W32-A143 HydrophobicContact CE3-CB 4.28Å; W32-A143 HydrophobicContact CH2-CB 3.06Å; W32-A143 HydrophobicContact CZ2-CB 3.35Å; W32-A143 HydrophobicContact CZ3-CB 3.58Å
33L91.3Very high89.7Confident44 Ų4454.3 Ų54.323%0.2329%0.291CS..Hα-helixtrans-60.8-42.9177.9-172.770.2000111.2R29 S30 I31 F35 I36 V37 L64 N67 I71R29-L33 WeakPolarHBondContact O-CB 3.43Å; R29-L33 PolarHBondContact O-N 3.21Å; S30-L33 WeakPolarHBondContact O-CB 3.18Å; S30-L33 PolarHBondContact O-N 2.88Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.34Å; L33-F35 VanDerWaalsContact C-N 3.27Å; L33-F35 PolarHBondContact O-N 3.16Å; L33-I36 PolarHBondContact O-N 3.09Å; L33-V37 HydrophobicContact CG-CG2 4.47Å; L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.15Å; L33-V37 PolarHBondContact O-N 3.2Å; L33-L64 HydrophobicContact CD1-CD1 3.68Å; L33-N67 HydrophobicContact CD1-CB 4.36Å; L33-I71 HydrophobicContact CB-CD1 4.06Å; L33-I71 HydrophobicContact CD2-CD1 3.84Å; L33-I71 HydrophobicContact CG-CD1 4.41Å
34A89.6Confident89Confident56 Ų5656.2 Ų56.246%0.46330%0.3SS..Hα-helixtrans-58.6-42177.100000111.6S30 I31 W32 V37 I38S30-A34 PolarHBondContact O-N 3.07Å; I31-A34 PolarHBondContact O-N 3.43Å; W32-A34 VanDerWaalsContact C-N 3.33Å; W32-A34 PolarHBondContact O-N 3.24Å; A34-V37 PolarHBondContact O-N 2.72Å; A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 3.42Å
35F89.9Confident88.6Confident70 Ų7061.9 Ų61.931%0.30731%0.312SS..Hα-helixtrans-65.1-44.8175.8-171.7-110.7000112.4I31 W32 L33 V37 I38 I39 V139 L140I31-F35 PolarHBondContact O-N 2.85Å; W32-F35 HydrophobicContact CE3-CD1 4.29Å; W32-F35 HydrophobicContact CH2-CD1 4.03Å; W32-F35 HydrophobicContact CH2-CE1 4.26Å; W32-F35 AromaticContact CZ3-CD1 3.79Å; W32-F35 HydrophobicContact CZ3-CD1 3.79Å; W32-F35 HydrophobicContact CZ3-CE1 4.26Å; W32-F35 WeakPolarHBondContact O-CB 3.29Å; W32-F35 PolarHBondContact O-N 2.76Å; L33-F35 VanDerWaalsContact C-N 3.27Å; L33-F35 PolarHBondContact O-N 3.16Å; F35-V37 VanDerWaalsContact C-N 3.33Å; F35-V37 PolarHBondContact O-N 3.16Å; F35-I38 PolarHBondContact O-N 3.19Å; F35-I39 HydrophobicContact CD1-CD1 3.71Å; F35-I39 HydrophobicContact CE1-CD1 3.32Å; F35-I39 HydrophobicContact CE1-CG1 4.47Å; F35-I39 HydrophobicContact CE2-CD1 4.38Å; F35-I39 HydrophobicContact CG-CD1 4.4Å; F35-I39 HydrophobicContact CZ-CD1 3.7Å; F35-I39 WeakPolarHBondContact O-CG1 3.22Å; F35-I39 PolarHBondContact O-N 2.84Å; F35-I39 VanDerWaalsContact O-N 3.14Å; F35-V139 HydrophobicContact CE1-CB 4.47Å; F35-V139 HydrophobicContact CE1-CG1 3.91Å; F35-V139 HydrophobicContact CZ-CG1 4.08Å; F35-L140 HydrophobicContact CD1-CD2 3.77Å; F35-L140 HydrophobicContact CD1-CG 4.45Å; F35-L140 HydrophobicContact CE1-CD2 4.01Å; F35-L140 HydrophobicContact CE1-CG 4.21Å
36I90Very high87.6Confident0 Ų061.1 Ų61.10%031%0.312CS..Hα-helixtrans-61-41.1176.4-63.6157.9000111.3W32 L33 I38 I39 C40 V60 I63 L64 N67 L140W32-I36 HydrophobicContact CG-CD1 4.11Å; W32-I36 WeakPolarHBondContact O-CG1 3.43Å; W32-I36 PolarHBondContact O-N 2.64Å; L33-I36 PolarHBondContact O-N 3.09Å; I36-I38 PolarHBondContact O-N 3.47Å; I36-I39 PolarHBondContact O-N 3.02Å; I36-C40 VanDerWaalsContact O-CB 3.31Å; I36-C40 WeakPolarHBondContact O-CB 3.17Å; I36-C40 PolarHBondContact O-N 3.06Å; I36-V60 HydrophobicContact CG2-CG1 4.27Å; I36-I63 HydrophobicContact CD1-CG2 3.53Å; I36-I63 HydrophobicContact CG1-CG2 4.01Å; I36-I63 HydrophobicContact CG2-CG2 4.2Å; I36-L64 HydrophobicContact CB-CD1 4.35Å; I36-L64 HydrophobicContact CG2-CB 3.81Å; I36-L64 HydrophobicContact CG2-CD1 3.78Å; I36-L64 HydrophobicContact CG2-CG 4.41Å; I36-N67 HydrophobicContact CD1-CB 4.11Å; I36-L140 HydrophobicContact CG1-CD2 3.6Å
37V91.6Very high86.1Confident63 Ų6366.6 Ų66.638%0.38235%0.347SS..Hα-helixtrans-61.1-44.7178.3169.30000110.9L33 A34 F35 I39 C40 V41 L64L33-V37 HydrophobicContact CG-CG2 4.47Å; L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.15Å; L33-V37 PolarHBondContact O-N 3.2Å; A34-V37 PolarHBondContact O-N 2.72Å; F35-V37 VanDerWaalsContact C-N 3.33Å; F35-V37 PolarHBondContact O-N 3.16Å; V37-I39 VanDerWaalsContact C-N 3.33Å; V37-I39 PolarHBondContact O-N 3.1Å; V37-C40 PolarHBondContact O-N 3.19Å; V37-V41 HydrophobicContact CG1-CG2 4.38Å; V37-V41 VanDerWaalsContact O-CG2 3.32Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 3.36Å; V37-L64 HydrophobicContact CG2-CD1 3.54Å
38I89Confident84.8Confident116 Ų11661.3 Ų61.360%0.59532%0.324SS*.Hα-helixtrans-59-46.6177.4-67.2164.7000110.5A34 F35 I36 V41 Y42A34-I38 WeakPolarHBondContact O-CG1 3.48Å; A34-I38 PolarHBondContact O-N 3.42Å; F35-I38 PolarHBondContact O-N 3.19Å; I36-I38 PolarHBondContact O-N 3.47Å; I38-V41 PolarHBondContact O-N 3.06Å; I38-Y42 WeakPolarHBondContact O-CB 3.46Å; I38-Y42 PolarHBondContact O-N 3.43Å
39I86.6Confident83.8Confident6 Ų667.8 Ų67.83%0.03135%0.346CS..Hα-helixtrans-64.9-41.5178.6-65.1170000111F35 I36 V37 Y42 A43 V60 F133 I137 L140F35-I39 HydrophobicContact CD1-CD1 3.71Å; F35-I39 HydrophobicContact CE1-CD1 3.32Å; F35-I39 HydrophobicContact CE1-CG1 4.47Å; F35-I39 HydrophobicContact CE2-CD1 4.38Å; F35-I39 HydrophobicContact CG-CD1 4.4Å; F35-I39 HydrophobicContact CZ-CD1 3.7Å; F35-I39 WeakPolarHBondContact O-CG1 3.22Å; F35-I39 PolarHBondContact O-N 2.84Å; F35-I39 VanDerWaalsContact O-N 3.14Å; I36-I39 PolarHBondContact O-N 3.02Å; V37-I39 VanDerWaalsContact C-N 3.33Å; V37-I39 PolarHBondContact O-N 3.1Å; I39-Y42 PolarHBondContact O-N 2.96Å; I39-A43 VanDerWaalsContact O-CB 3.27Å; I39-A43 WeakPolarHBondContact O-CB 3.49Å; I39-A43 PolarHBondContact O-N 2.88Å; I39-V60 HydrophobicContact CG2-CG1 4.27Å; I39-V60 HydrophobicContact CG2-CG2 4.17Å; I39-F133 HydrophobicContact CG2-CE2 4.35Å; I39-I137 HydrophobicContact CG2-CD1 4.34Å; I39-L140 HydrophobicContact CD1-CD1 3.55Å; I39-L140 HydrophobicContact CD1-CD2 4.06Å; I39-L140 HydrophobicContact CD1-CG 3.69Å; I39-L140 HydrophobicContact CG2-CD1 4.23Å
40C86.4Confident83.1Confident12 Ų1267.4 Ų67.48%0.08135%0.346CS..Hα-helixtrans-62.4-45.4178.6-167.40000111.3I36 V37 Y42 A43 I44 V60I36-C40 VanDerWaalsContact O-CB 3.31Å; I36-C40 WeakPolarHBondContact O-CB 3.17Å; I36-C40 PolarHBondContact O-N 3.06Å; V37-C40 PolarHBondContact O-N 3.19Å; C40-Y42 PolarHBondContact O-N 3.29Å; C40-A43 PolarHBondContact O-N 2.87Å; C40-I44 VanDerWaalsContact O-CG1 3.29Å; C40-I44 WeakPolarHBondContact O-CG1 3.27Å; C40-I44 PolarHBondContact O-N 3.42Å; C40-V60 HydrophobicContact CB-CG1 3.72Å
41V86.8Confident82.6Confident58 Ų5872 Ų7235%0.35236%0.361SS..Hα-helixtrans-62.7-43.6175.9171.30000111.2V37 I38 I44 R45V37-V41 HydrophobicContact CG1-CG2 4.38Å; V37-V41 VanDerWaalsContact O-CG2 3.32Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 3.36Å; I38-V41 PolarHBondContact O-N 3.06Å; V41-I44 PolarHBondContact O-N 2.97Å; V41-R45 WeakPolarHBondContact O-CB 3.47Å; V41-R45 PolarHBondContact O-N 2.96Å
42Y84.7Confident82.3Confident67 Ų6768.1 Ų68.126%0.26334%0.341SS..Hα-helixtrans-60.4-46174.9178.1-88.5000111.2I38 I39 C40 I44 R45 S46 N130 F132 F133I38-Y42 WeakPolarHBondContact O-CB 3.46Å; I38-Y42 PolarHBondContact O-N 3.43Å; I39-Y42 PolarHBondContact O-N 2.96Å; C40-Y42 PolarHBondContact O-N 3.29Å; Y42-I44 VanDerWaalsContact C-N 3.32Å; Y42-I44 PolarHBondContact O-N 3.3Å; Y42-R45 PolarHBondContact O-N 3.49Å; Y42-S46 VanDerWaalsContact O-CB 3.29Å; Y42-S46 WeakPolarHBondContact O-CB 3.44Å; Y42-S46 PolarHBondContact O-N 3.04Å; Y42-S46 PolarHBondContact O-OG 3.5Å; Y42-N130 PolarHBondContact OH-ND2 3.33Å; Y42-F132 HydrophobicContact CE2-CD1 4.39Å; Y42-F133 AromaticContact CD1-CD2 3.94Å; Y42-F133 HydrophobicContact CD1-CD2 3.94Å; Y42-F133 HydrophobicContact CE1-CB 3.95Å; Y42-F133 HydrophobicContact CE1-CD2 4.01Å; Y42-F133 HydrophobicContact CE1-CG 4.31Å
43A80.2Confident82Confident2 Ų265.9 Ų65.92%0.01733%0.333CS..Hα-helixtrans-65.2-33.6-178.800000112.9I39 C40 R57 F133I39-A43 VanDerWaalsContact O-CB 3.27Å; I39-A43 WeakPolarHBondContact O-CB 3.49Å; I39-A43 PolarHBondContact O-N 2.88Å; C40-A43 PolarHBondContact O-N 2.87Å; A43-R57 HydrophobicContact CB-CG 3.92Å; A43-R57 WeakPolarHBondContact O-CD 3.13Å; A43-F133 HydrophobicContact CB-CE2 3.69Å; A43-F133 HydrophobicContact CB-CZ 4.16Å
44I80.1Confident81.7Confident118 Ų11869.8 Ų69.861%0.60535%0.349SS*.Hα-helixtrans-75.2-41.1177.1-67.8166.3000111.1C40 V41 Y42C40-I44 VanDerWaalsContact O-CG1 3.29Å; C40-I44 WeakPolarHBondContact O-CG1 3.27Å; C40-I44 PolarHBondContact O-N 3.42Å; V41-I44 PolarHBondContact O-N 2.97Å; Y42-I44 VanDerWaalsContact C-N 3.32Å; Y42-I44 PolarHBondContact O-N 3.3Å
45R81.6Confident81.8Confident202 Ų20269.5 Ų69.576%0.76234%0.344SS*.Hα-helixtrans-79.8-31-175.7-75.1-169.7173.2132.70.1114.1V41 Y42 P47V41-R45 WeakPolarHBondContact O-CB 3.47Å; V41-R45 PolarHBondContact O-N 2.96Å; Y42-R45 PolarHBondContact O-N 3.49Å; R45-P47 WeakPolarHBondContact O-CD 3.45Å
46S70.3Confident81.7Confident29 Ų2966.2 Ų66.220%0.20333%0.33CS..SBendtrans-86.5119-178.8-64.60000110.1Y42 E48Y42-S46 VanDerWaalsContact O-CB 3.29Å; Y42-S46 WeakPolarHBondContact O-CB 3.44Å; Y42-S46 PolarHBondContact O-N 3.04Å; Y42-S46 PolarHBondContact O-OG 3.5Å; S46-E48 PolarHBondContact O-N 3.19Å
47P63.6Low81.5Confident119 Ų11970.2 Ų70.277%0.77335%0.345SS*.  trans-73.274.8171.530.5-32.9000109.6R45 K49R45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-K49 PolarHBondContact O-N 2.99Å
48E65.7Low81.5Confident25 Ų2571 Ų7112%0.11735%0.347CS..  trans-62.8118.2172.4-69.5-88.7155.400108.8S46 C50 A53 N130 F133S46-E48 PolarHBondContact O-N 3.19Å; E48-C50 PolarHBondContact O-N 3.17Å; E48-A53 HydrophobicContact CB-CB 4.01Å; E48-N130 WeakPolarHBondContact OE1-CB 3.43Å; E48-N130 WeakPolarHBondContact OE2-CB 3.09Å; E48-N130 PolarHBondContact OE2-N 3.32Å; E48-F133 HydrophobicContact CG-CD1 4.42Å
49K69.3Low81.6Confident209 Ų20965.9 Ų65.991%0.90932%0.32SS*.  trans-81.714.4176.1-65.4-173.9180-179.60113.3P47P47-K49 PolarHBondContact O-N 2.99Å
50C77.4Confident81.8Confident9 Ų965.7 Ų65.76%0.06132%0.319CS..  trans-73.5140.7-176.9-1720000111.3E48 F52 A53 T128 C129E48-C50 PolarHBondContact O-N 3.17Å; C50-F52 PolarHBondContact O-N 2.89Å; C50-A53 HydrophobicContact CB-CB 4.18Å; C50-A53 WeakPolarHBondContact O-CB 3.44Å; C50-A53 PolarHBondContact O-N 3.1Å; C50-T128 PolarHBondContact SG-OG1 3.2Å; C50-C129 HydrophobicContact CB-CB 3.94Å; C50-C129 WeakPolarHBondContact CB-SG 3.24Å; C50-C129 WeakPolarHBondContact SG-CA 3.48Å; C50-C129 WeakPolarHBondContact SG-CB 3.47Å; C50-C129 CovalentContact SG-SG 2.03Å; C50-C129 PolarHBondContact SG-SG 3.31Å
51E82.4Confident82Confident151 Ų15167.9 Ų67.971%0.70633%0.332SS*.THydrogen-bonded Turntrans-54.7-36.4177.7-170.9-174.7164.900111.9
52F84.2Confident82.3Confident25 Ų2571.1 Ų71.111%0.1134%0.341CS..THydrogen-bonded Turntrans-92.45.3-179-61.3-80000114.2C50 H54 S55 L56 R122 A123C50-F52 PolarHBondContact O-N 2.89Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 2.78Å; F52-S55 PolarHBondContact O-N 3.42Å; F52-L56 HydrophobicContact CB-CD1 4.2Å; F52-L56 HydrophobicContact CB-CG 4.37Å; F52-L56 WeakPolarHBondContact O-CB 3.13Å; F52-L56 WeakPolarHBondContact O-CG 3.34Å; F52-L56 PolarHBondContact O-N 2.84Å; F52-R122 HydrophobicContact CE1-CB 4.2Å; F52-R122 HydrophobicContact CZ-CB 4.11Å; F52-A123 HydrophobicContact CB-CB 4.33Å; F52-A123 HydrophobicContact CD2-CB 4.35Å; F52-A123 HydrophobicContact CG-CB 4.49Å
53A81Confident82.6Confident3 Ų368.4 Ų68.43%0.02533%0.331CS..Hα-helixtrans-60.4-33.8-173.200000113.2E48 C50 R57E48-A53 HydrophobicContact CB-CB 4.01Å; C50-A53 HydrophobicContact CB-CB 4.18Å; C50-A53 WeakPolarHBondContact O-CB 3.44Å; C50-A53 PolarHBondContact O-N 3.1Å; A53-R57 VanDerWaalsContact O-CB 3.31Å; A53-R57 WeakPolarHBondContact O-CB 3.43Å; A53-R57 VanDerWaalsContact O-CG 3.24Å; A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 2.86Å; A53-R57 VanDerWaalsContact O-N 3.1Å; A53-R57 PolarHBondContact O-NE 3.38Å
54H86.4Confident83.2Confident125 Ų12570.4 Ų70.458%0.57934%0.341SS*.Hα-helixtrans-69.9-49.4177.4-173.768.3000111.6F52 L56 R57 L58F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 2.78Å; H54-L56 PolarHBondContact O-N 3.06Å; H54-R57 PolarHBondContact O-N 3.37Å; H54-L58 WeakPolarHBondContact NE2-CD1 3.47Å; H54-L58 PolarHBondContact O-N 3Å
55S89.9Confident83.9Confident51 Ų5169.5 Ų69.536%0.35734%0.337SS..Hα-helixtrans-62.4-40.6179-53.90000112.4F52 L58 Y59F52-S55 PolarHBondContact O-N 3.42Å; S55-L58 PolarHBondContact O-N 3.49Å; S55-Y59 WeakPolarHBondContact O-CB 3.47Å; S55-Y59 PolarHBondContact O-N 3.33Å
56L87.8Confident84.5Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-67.4-38.5176.3-71.3173.3000112.1F52 H54 Y59 V60 L119 A123 F133 I137F52-L56 HydrophobicContact CB-CD1 4.2Å; F52-L56 HydrophobicContact CB-CG 4.37Å; F52-L56 WeakPolarHBondContact O-CB 3.13Å; F52-L56 WeakPolarHBondContact O-CG 3.34Å; F52-L56 PolarHBondContact O-N 2.84Å; H54-L56 PolarHBondContact O-N 3.06Å; L56-Y59 WeakPolarHBondContact O-CB 3.45Å; L56-Y59 PolarHBondContact O-N 3.41Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.82Å; L56-L119 HydrophobicContact CD2-CB 3.95Å; L56-A123 HydrophobicContact CD1-CB 4Å; L56-F133 HydrophobicContact CB-CE1 3.95Å; L56-F133 HydrophobicContact CB-CZ 4.03Å; L56-F133 HydrophobicContact CD1-CE1 3.77Å; L56-I137 HydrophobicContact CD2-CG1 4.46Å; L56-I137 HydrophobicContact CD2-CG2 4.09Å
57R86.9Confident85.6Confident85 Ų8559.9 Ų59.932%0.32130%0.297SS..Hα-helixtrans-62.9-47.1173.8-83.1-177.6-83.3-162.50.6112A43 A53 H54 Y59 V60 V61A43-R57 HydrophobicContact CB-CG 3.92Å; A43-R57 WeakPolarHBondContact O-CD 3.13Å; A53-R57 VanDerWaalsContact O-CB 3.31Å; A53-R57 WeakPolarHBondContact O-CB 3.43Å; A53-R57 VanDerWaalsContact O-CG 3.24Å; A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 2.86Å; A53-R57 VanDerWaalsContact O-N 3.1Å; A53-R57 PolarHBondContact O-NE 3.38Å; H54-R57 PolarHBondContact O-N 3.37Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.14Å; R57-V60 PolarHBondContact O-N 2.92Å; R57-V61 WeakPolarHBondContact O-CG2 3.26Å; R57-V61 PolarHBondContact O-N 3.42Å
58L90.3Very high87Confident80 Ų8056.3 Ų56.342%0.41928%0.278SS..Hα-helixtrans-59.2-44175.6-73.3176.3000111.3H54 S55 V60 V61 F62H54-L58 WeakPolarHBondContact NE2-CD1 3.47Å; H54-L58 PolarHBondContact O-N 3Å; S55-L58 PolarHBondContact O-N 3.49Å; L58-V60 PolarHBondContact O-N 3.12Å; L58-V61 PolarHBondContact O-N 2.85Å; L58-F62 WeakPolarHBondContact O-CD2 3.22Å; L58-F62 PolarHBondContact O-N 2.96Å
59Y92Very high88.5Confident8 Ų858.2 Ų58.23%0.03129%0.291CS..Hα-helixtrans-56.8-47.6176.5171.1-108.6000112.8S55 L56 R57 V61 F62 I63 L112 V115 G116 L119 I137 V141S55-Y59 WeakPolarHBondContact O-CB 3.47Å; S55-Y59 PolarHBondContact O-N 3.33Å; L56-Y59 WeakPolarHBondContact O-CB 3.45Å; L56-Y59 PolarHBondContact O-N 3.41Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.14Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.48Å; Y59-F62 PolarHBondContact O-N 2.96Å; Y59-I63 HydrophobicContact CD1-CD1 4.45Å; Y59-I63 HydrophobicContact CD2-CD1 4.27Å; Y59-I63 HydrophobicContact CD2-CG1 4.46Å; Y59-I63 HydrophobicContact CE1-CD1 3.69Å; Y59-I63 HydrophobicContact CE2-CD1 3.45Å; Y59-I63 VanDerWaalsContact CE2-CD1 3.45Å; Y59-I63 HydrophobicContact CE2-CG1 3.99Å; Y59-I63 PolarHBondContact O-N 3.38Å; Y59-I63 WeakPolarHBondContact OH-CD1 3.29Å; Y59-L112 VanDerWaalsContact CE2-O 3.27Å; Y59-L112 WeakPolarHBondContact CE2-O 2.97Å; Y59-V115 HydrophobicContact CD2-CG1 4.45Å; Y59-G116 VanDerWaalsContact CE2-CA 3.46Å; Y59-G116 WeakPolarHBondContact OH-CA 3.22Å; Y59-L119 HydrophobicContact CG-CD1 4.44Å; Y59-I137 HydrophobicContact CE1-CG2 4.33Å; Y59-V141 HydrophobicContact CE1-CG2 4.49Å
60V90.7Very high89.7Confident1 Ų148.2 Ų48.21%0.00625%0.248CC..Hα-helixtrans-62.7-40.7177.8174.60000111.4I36 I39 C40 L56 R57 L58 I63 L64 I137 L140I36-V60 HydrophobicContact CG2-CG1 4.27Å; I39-V60 HydrophobicContact CG2-CG1 4.27Å; I39-V60 HydrophobicContact CG2-CG2 4.17Å; C40-V60 HydrophobicContact CB-CG1 3.72Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.82Å; R57-V60 PolarHBondContact O-N 2.92Å; L58-V60 PolarHBondContact O-N 3.12Å; V60-I63 PolarHBondContact O-N 3.44Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 2.88Å; V60-I137 HydrophobicContact CG2-CD1 3.35Å; V60-L140 HydrophobicContact CG2-CD1 4.45Å
61V90.8Very high90.6Very high58 Ų5848.7 Ų48.735%0.35225%0.249SC..Hα-helixtrans-64.1-43.3176.41730000111.5R57 L58 Y59 L64 I65R57-V61 WeakPolarHBondContact O-CG2 3.26Å; R57-V61 PolarHBondContact O-N 3.42Å; L58-V61 PolarHBondContact O-N 2.85Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.48Å; V61-L64 WeakPolarHBondContact O-CB 3.15Å; V61-L64 PolarHBondContact O-N 3.25Å; V61-I65 HydrophobicContact CG1-CD1 3.96Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 2.84Å
62F92.3Very high91.2Very high127 Ų12744.3 Ų44.356%0.55724%0.239SC*.Hα-helixtrans-62.4-43.9176.2-83.4-65.3000112L58 Y59 L64 I65 H66 L112L58-F62 WeakPolarHBondContact O-CD2 3.22Å; L58-F62 PolarHBondContact O-N 2.96Å; Y59-F62 PolarHBondContact O-N 2.96Å; F62-L64 VanDerWaalsContact C-N 3.33Å; F62-L64 PolarHBondContact O-N 2.91Å; F62-I65 PolarHBondContact O-N 2.92Å; F62-H66 VanDerWaalsContact O-CB 3.23Å; F62-H66 WeakPolarHBondContact O-CB 3.34Å; F62-H66 PolarHBondContact O-N 3.38Å; F62-L112 HydrophobicContact CB-CD2 4.35Å
63I92.3Very high91.8Very high10 Ų1044.1 Ų44.15%0.05124%0.238CC..Hα-helixtrans-62.4-41.1175.4-78.7-170.5000111.6I36 Y59 V60 H66 N67 L112I36-I63 HydrophobicContact CD1-CG2 3.53Å; I36-I63 HydrophobicContact CG1-CG2 4.01Å; I36-I63 HydrophobicContact CG2-CG2 4.2Å; Y59-I63 HydrophobicContact CD1-CD1 4.45Å; Y59-I63 HydrophobicContact CD2-CD1 4.27Å; Y59-I63 HydrophobicContact CD2-CG1 4.46Å; Y59-I63 HydrophobicContact CE1-CD1 3.69Å; Y59-I63 HydrophobicContact CE2-CD1 3.45Å; Y59-I63 VanDerWaalsContact CE2-CD1 3.45Å; Y59-I63 HydrophobicContact CE2-CG1 3.99Å; Y59-I63 PolarHBondContact O-N 3.38Å; Y59-I63 WeakPolarHBondContact OH-CD1 3.29Å; V60-I63 PolarHBondContact O-N 3.44Å; I63-H66 PolarHBondContact O-N 2.87Å; I63-N67 WeakPolarHBondContact O-CB 3.25Å; I63-N67 PolarHBondContact O-N 2.91Å; I63-L112 HydrophobicContact CG1-CD1 4.37Å
64L92.7Very high92.5Very high43 Ų4344 Ų4423%0.22524%0.238CC..Hα-helixtrans-58.2-52.1177.7-179.172.6000111.1L33 I36 V37 V60 V61 F62 N67 A68L33-L64 HydrophobicContact CD1-CD1 3.68Å; I36-L64 HydrophobicContact CB-CD1 4.35Å; I36-L64 HydrophobicContact CG2-CB 3.81Å; I36-L64 HydrophobicContact CG2-CD1 3.78Å; I36-L64 HydrophobicContact CG2-CG 4.41Å; V37-L64 HydrophobicContact CG2-CD1 3.54Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 2.88Å; V61-L64 WeakPolarHBondContact O-CB 3.15Å; V61-L64 PolarHBondContact O-N 3.25Å; F62-L64 VanDerWaalsContact C-N 3.33Å; F62-L64 PolarHBondContact O-N 2.91Å; L64-N67 PolarHBondContact O-N 2.79Å; L64-A68 PolarHBondContact O-N 3.26Å; L64-A68 VanDerWaalsContact O-N 3.08Å
65I93.7Very high93Very high100 Ų10042.2 Ų42.251%0.51323%0.232SC..Hα-helixtrans-63.5-46.7-179.8-64.7168.6000110.3V61 F62 N67 A68 V69V61-I65 HydrophobicContact CG1-CD1 3.96Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 2.84Å; F62-I65 PolarHBondContact O-N 2.92Å; I65-N67 PolarHBondContact O-N 3.39Å; I65-A68 PolarHBondContact O-N 2.9Å; I65-V69 WeakPolarHBondContact O-CG2 3.18Å; I65-V69 PolarHBondContact O-N 3.44Å
66H94.4Very high93.4Very high25 Ų2545 Ų4512%0.11624%0.235CC..Hα-helixtrans-61.9-43.3-179-171.859.8000112.1F62 I63 A68 V69 L70 F105 D109 L112F62-H66 VanDerWaalsContact O-CB 3.23Å; F62-H66 WeakPolarHBondContact O-CB 3.34Å; F62-H66 PolarHBondContact O-N 3.38Å; I63-H66 PolarHBondContact O-N 2.87Å; H66-A68 PolarHBondContact O-N 3.49Å; H66-V69 PolarHBondContact O-N 2.96Å; H66-L70 VanDerWaalsContact NE2-CD1 3.33Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.27Å; H66-L70 PolarHBondContact O-N 3.11Å; H66-F105 AromaticContact CE1-CD1 3.91Å; H66-D109 IonicContact CD2-OD1 2.66Å; H66-D109 IonicContact NE2-OD1 3.24Å; H66-D109 PolarHBondContact NE2-OD1 3.34Å; H66-L112 HydrophobicContact CB-CD1 4.05Å
67N93.3Very high93.7Very high3 Ų345.2 Ų45.22%0.01624%0.237CC..Hα-helixtrans-66.2-38.4178.8-165.553.3000111.9R29 L33 I36 I63 L64 I65 L70 I71R29-N67 WeakPolarHBondContact CB-OD1 3.48Å; R29-N67 WeakPolarHBondContact CD-OD1 3.43Å; R29-N67 WeakPolarHBondContact CG-OD1 3.47Å; R29-N67 PolarHBondContact NH1-OD1 3.34Å; R29-N67 PolarHBondContact O-ND2 3.39Å; L33-N67 HydrophobicContact CD1-CB 4.36Å; I36-N67 HydrophobicContact CD1-CB 4.11Å; I63-N67 WeakPolarHBondContact O-CB 3.25Å; I63-N67 PolarHBondContact O-N 2.91Å; L64-N67 PolarHBondContact O-N 2.79Å; I65-N67 PolarHBondContact O-N 3.39Å; N67-L70 PolarHBondContact O-N 3.08Å; N67-I71 WeakPolarHBondContact O-CG1 3.38Å; N67-I71 PolarHBondContact O-N 3Å
68A94.4Very high94.1Very high45 Ų4541.5 Ų41.537%0.37222%0.224SC..Hα-helixtrans-63.1-43.4174.400000112.3L64 I65 H66 L70 I71 A72L64-A68 PolarHBondContact O-N 3.26Å; L64-A68 VanDerWaalsContact O-N 3.08Å; I65-A68 PolarHBondContact O-N 2.9Å; H66-A68 PolarHBondContact O-N 3.49Å; A68-L70 VanDerWaalsContact C-N 3.31Å; A68-L70 PolarHBondContact O-N 3.49Å; A68-I71 PolarHBondContact O-N 3.17Å; A68-A72 PolarHBondContact O-N 2.96Å; A68-A72 VanDerWaalsContact O-N 3.14Å
69V95.9Very high94.4Very high64 Ų6444.5 Ų44.539%0.38823%0.231SC..Hα-helixtrans-60.9-41.2174.6171.20000111I65 H66 A72 H73 F105I65-V69 WeakPolarHBondContact O-CG2 3.18Å; I65-V69 PolarHBondContact O-N 3.44Å; H66-V69 PolarHBondContact O-N 2.96Å; V69-A72 PolarHBondContact O-N 3.2Å; V69-H73 WeakPolarHBondContact O-CB 3.43Å; V69-H73 PolarHBondContact O-N 3.17Å; V69-F105 HydrophobicContact CG1-CE1 3.97Å; V69-F105 HydrophobicContact CG1-CE2 4.44Å; V69-F105 HydrophobicContact CG1-CZ 3.73Å
70L94.9Very high94.5Very high0 Ų044.5 Ų44.50%023%0.232CC..Hα-helixtrans-67.8-38.6179-83163.1000113H66 N67 A68 A72 H73 S74 F105H66-L70 VanDerWaalsContact NE2-CD1 3.33Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.27Å; H66-L70 PolarHBondContact O-N 3.11Å; N67-L70 PolarHBondContact O-N 3.08Å; A68-L70 VanDerWaalsContact C-N 3.31Å; A68-L70 PolarHBondContact O-N 3.49Å; L70-A72 PolarHBondContact O-N 2.77Å; L70-H73 PolarHBondContact O-N 3.27Å; L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.04Å; L70-S74 PolarHBondContact O-OG 3.2Å; L70-F105 HydrophobicContact CD2-CB 3.7Å; L70-F105 HydrophobicContact CD2-CD2 3.89Å; L70-F105 HydrophobicContact CD2-CG 3.95Å; L70-F105 HydrophobicContact CG-CB 4.39Å
71I95.5Very high94.6Very high18 Ų1844.5 Ų44.59%0.09223%0.232CC..Hα-helixtrans-59.2-48.5172.8-67.7161.3000110.3R29 L33 N67 A68 H73 S74 L75R29-I71 HydrophobicContact CB-CD1 4.11Å; R29-I71 HydrophobicContact CB-CG1 3.59Å; L33-I71 HydrophobicContact CB-CD1 4.06Å; L33-I71 HydrophobicContact CD2-CD1 3.84Å; L33-I71 HydrophobicContact CG-CD1 4.41Å; N67-I71 WeakPolarHBondContact O-CG1 3.38Å; N67-I71 PolarHBondContact O-N 3Å; A68-I71 PolarHBondContact O-N 3.17Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.4Å; I71-S74 PolarHBondContact O-N 3.34Å; I71-L75 HydrophobicContact CG2-CD1 4.01Å; I71-L75 HydrophobicContact CG2-CG 4.47Å; I71-L75 WeakPolarHBondContact O-CG 3.33Å; I71-L75 PolarHBondContact O-N 3.32Å
72A96.8Very high94.7Very high59 Ų5942.8 Ų42.849%0.48822%0.222SC..Hα-helixtrans-61-42.2177.900000112A68 V69 L70 Y76A68-A72 PolarHBondContact O-N 2.96Å; A68-A72 VanDerWaalsContact O-N 3.14Å; V69-A72 PolarHBondContact O-N 3.2Å; L70-A72 PolarHBondContact O-N 2.77Å; A72-Y76 WeakPolarHBondContact O-CB 3.32Å; A72-Y76 PolarHBondContact O-N 2.96Å
73H96.7Very high94.6Very high22 Ų2240 Ų4010%0.10221%0.211CC..Hα-helixtrans-64.2-43.7177-179.372.4000112.7V69 L70 I71 Y76 T77 L98 F105V69-H73 WeakPolarHBondContact O-CB 3.43Å; V69-H73 PolarHBondContact O-N 3.17Å; L70-H73 PolarHBondContact O-N 3.27Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.4Å; H73-Y76 PolarHBondContact O-N 3.39Å; H73-T77 WeakPolarHBondContact O-CB 3.5Å; H73-T77 PolarHBondContact O-N 3.13Å; H73-T77 PolarHBondContact O-OG1 3.49Å; H73-L98 PolarHBondContact CE1-O 3.39Å; H73-L98 VanDerWaalsContact CE1-O 3.25Å; H73-L98 PolarHBondContact NE2-O 2.79Å; H73-F105 HydrophobicContact CB-CE2 4.27Å; H73-F105 AromaticContact CG-CE2 3.95Å
74S95.6Very high94.4Very high1 Ų140.7 Ų40.71%0.00722%0.22CC..Hα-helixtrans-66.6-42.4178.6-60.80000111A22 E25 L70 I71 Y76 T77 A78A22-S74 VanDerWaalsContact CB-O 3.32Å; A22-S74 WeakPolarHBondContact CB-O 3.03Å; A22-S74 WeakPolarHBondContact O-CB 3.4Å; E25-S74 PolarHBondContact OE2-OG 3.06Å; L70-S74 WeakPolarHBondContact O-CB 3.32Å; L70-S74 PolarHBondContact O-N 3.04Å; L70-S74 PolarHBondContact O-OG 3.2Å; I71-S74 PolarHBondContact O-N 3.34Å; S74-Y76 PolarHBondContact O-N 2.91Å; S74-T77 PolarHBondContact O-N 3.32Å; S74-A78 WeakPolarHBondContact O-CB 3.27Å; S74-A78 PolarHBondContact O-N 3.13Å
75L96.8Very high94Very high87 Ų8740 Ų4046%0.45522%0.217SC..Hα-helixtrans-62-42.8174-70.3173.9000112.3L23 A26 I71 A78 Y79L23-L75 HydrophobicContact CD2-CD2 4.16Å; A26-L75 HydrophobicContact CB-CD2 3.88Å; A26-L75 HydrophobicContact CB-CG 4.01Å; I71-L75 HydrophobicContact CG2-CD1 4.01Å; I71-L75 HydrophobicContact CG2-CG 4.47Å; I71-L75 WeakPolarHBondContact O-CG 3.33Å; I71-L75 PolarHBondContact O-N 3.32Å; L75-A78 PolarHBondContact O-N 3.08Å; L75-Y79 PolarHBondContact O-N 3.36Å
76Y97Very high93.5Very high108 Ų10835.4 Ų35.442%0.42419%0.194SC..Hα-helixtrans-66.6-38.6176.8-173.5-110.3000112.1A72 H73 S74 Y79 V80 L94 L98A72-Y76 WeakPolarHBondContact O-CB 3.32Å; A72-Y76 PolarHBondContact O-N 2.96Å; H73-Y76 PolarHBondContact O-N 3.39Å; S74-Y76 PolarHBondContact O-N 2.91Å; Y76-Y79 HydrophobicContact CE2-CD1 4.43Å; Y76-Y79 PolarHBondContact O-N 2.84Å; Y76-V80 HydrophobicContact CD1-CG2 4.25Å; Y76-V80 HydrophobicContact CD2-CG2 4.5Å; Y76-V80 HydrophobicContact CE1-CG2 3.84Å; Y76-V80 HydrophobicContact CE2-CG2 4.1Å; Y76-V80 WeakPolarHBondContact O-CG2 3.1Å; Y76-V80 PolarHBondContact O-N 3.17Å; Y76-L94 HydrophobicContact CE1-CD2 3.82Å; Y76-L94 WeakPolarHBondContact OH-CD2 3.44Å; Y76-L98 HydrophobicContact CD1-CD1 3.78Å; Y76-L98 HydrophobicContact CD1-CD2 3.75Å; Y76-L98 HydrophobicContact CD1-CG 4.43Å; Y76-L98 HydrophobicContact CE1-CD1 3.91Å; Y76-L98 HydrophobicContact CE1-CD2 3.87Å; Y76-L98 HydrophobicContact CE1-CG 4.46Å
77T95.3Very high92.8Very high6 Ų637.8 Ų37.84%0.03720%0.204CC..Hα-helixtrans-62.9-43.4174.3-59.10000111.1F18 A22 H73 S74 Y79 V80 S81F18-T77 HydrophobicContact CB-CG2 4.21Å; A22-T77 HydrophobicContact CB-CG2 4.4Å; H73-T77 WeakPolarHBondContact O-CB 3.5Å; H73-T77 PolarHBondContact O-N 3.13Å; H73-T77 PolarHBondContact O-OG1 3.49Å; S74-T77 PolarHBondContact O-N 3.32Å; T77-Y79 PolarHBondContact O-N 2.89Å; T77-V80 PolarHBondContact O-N 3.31Å; T77-S81 WeakPolarHBondContact O-CB 3.38Å; T77-S81 PolarHBondContact O-N 3.45Å
78A95.2Very high92.4Very high6 Ų641.3 Ų41.35%0.0522%0.223CC..Hα-helixtrans-59.8-45.5174.100000111.6A22 L23 S74 L75 S81 S82A22-A78 HydrophobicContact CB-CB 4.06Å; L23-A78 HydrophobicContact CD2-CB 3.95Å; L23-A78 HydrophobicContact CG-CB 3.87Å; S74-A78 WeakPolarHBondContact O-CB 3.27Å; S74-A78 PolarHBondContact O-N 3.13Å; L75-A78 PolarHBondContact O-N 3.08Å; A78-S81 PolarHBondContact O-N 3.42Å; A78-S82 WeakPolarHBondContact O-CB 3.41Å; A78-S82 PolarHBondContact O-N 3.47Å
79Y95.5Very high91.9Very high143 Ų14340.2 Ų40.256%0.56121%0.214SC*.Hα-helixtrans-59.4-51.1177.7173.4-104.2000112.1L75 Y76 T77 S81 S82 Q83L75-Y79 PolarHBondContact O-N 3.36Å; Y76-Y79 HydrophobicContact CE2-CD1 4.43Å; Y76-Y79 PolarHBondContact O-N 2.84Å; T77-Y79 PolarHBondContact O-N 2.89Å; Y79-S81 PolarHBondContact O-N 2.91Å; Y79-S82 PolarHBondContact O-N 2.97Å; Y79-S82 PolarHBondContact O-OG 2.91Å; Y79-Q83 WeakPolarHBondContact O-CG 3.45Å
80V94.6Very high91.5Very high9 Ų942.1 Ų42.16%0.05523%0.226CC..Hα-helixtrans-65.6-40.3180176.80000111.1Y76 T77 S82 Q83 L94 V95 L98Y76-V80 HydrophobicContact CD1-CG2 4.25Å; Y76-V80 HydrophobicContact CD2-CG2 4.5Å; Y76-V80 HydrophobicContact CE1-CG2 3.84Å; Y76-V80 HydrophobicContact CE2-CG2 4.1Å; Y76-V80 WeakPolarHBondContact O-CG2 3.1Å; Y76-V80 PolarHBondContact O-N 3.17Å; T77-V80 PolarHBondContact O-N 3.31Å; V80-S82 PolarHBondContact O-N 2.8Å; V80-Q83 WeakPolarHBondContact O-CB 3.3Å; V80-Q83 PolarHBondContact O-N 3.39Å; V80-L94 HydrophobicContact CG1-CB 4.04Å; V80-L94 HydrophobicContact CG2-CD2 4.36Å; V80-V95 HydrophobicContact CB-CG2 4.45Å; V80-V95 HydrophobicContact CG1-CG2 3.74Å; V80-L98 HydrophobicContact CB-CD1 4.17Å; V80-L98 HydrophobicContact CG1-CD1 4.47Å; V80-L98 HydrophobicContact CG2-CD1 4.09Å
81S93.5Very high91.1Very high1 Ų144.9 Ų44.91%0.00724%0.244CC..Hα-helixtrans-64.5-28.6178-170.20000112.3S15 D16 F18 V19 T77 A78 Y79 Q83 R92S15-S81 PolarHBondContact O-OG 2.94Å; D16-S81 VanDerWaalsContact C-OG 3.3Å; D16-S81 WeakPolarHBondContact CA-O 3.48Å; D16-S81 VanDerWaalsContact CA-OG 3.28Å; D16-S81 WeakPolarHBondContact CA-OG 3.41Å; D16-S81 PolarHBondContact O-OG 2.73Å; F18-S81 PolarHBondContact N-OG 3.4Å; V19-S81 PolarHBondContact N-OG 3.22Å; T77-S81 WeakPolarHBondContact O-CB 3.38Å; T77-S81 PolarHBondContact O-N 3.45Å; A78-S81 PolarHBondContact O-N 3.42Å; Y79-S81 PolarHBondContact O-N 2.91Å; S81-Q83 VanDerWaalsContact C-N 3.25Å; S81-Q83 PolarHBondContact O-N 3.42Å; S81-R92 VanDerWaalsContact O-CD 3.25Å; S81-R92 WeakPolarHBondContact O-CD 3.22Å
82S92.3Very high90.8Very high22 Ų2244.3 Ų44.315%0.15424%0.24CC..THydrogen-bonded Turntrans-72.2-13177.977.30000114.6A78 Y79 V80 Y518A78-S82 WeakPolarHBondContact O-CB 3.41Å; A78-S82 PolarHBondContact O-N 3.47Å; Y79-S82 PolarHBondContact O-N 2.97Å; Y79-S82 PolarHBondContact O-OG 2.91Å; V80-S82 PolarHBondContact O-N 2.8Å; S82-Y518 WeakPolarHBondContact O-CE1 3.35Å
83Q91.3Very high90.5Very high69 Ų6951.2 Ų51.232%0.32225%0.254SS..SBendtrans-81.2149.6-173.1-61.3-61.3-3500113Y79 V80 S81 P91 R92Y79-Q83 WeakPolarHBondContact O-CG 3.45Å; V80-Q83 WeakPolarHBondContact O-CB 3.3Å; V80-Q83 PolarHBondContact O-N 3.39Å; S81-Q83 VanDerWaalsContact C-N 3.25Å; S81-Q83 PolarHBondContact O-N 3.42Å; Q83-P91 HydrophobicContact CB-CB 3.7Å; Q83-R92 VanDerWaalsContact O-CD 3.23Å; Q83-R92 WeakPolarHBondContact O-CD 3.42Å; Q83-R92 WeakPolarHBondContact O-CG 3.35Å; Q83-R92 PolarHBondContact O-NH1 3.39Å
84G86.8Confident90.3Very high23 Ų2352.9 Ų52.924%0.23726%0.263CS..SBendtrans76.8-165.9176.300000113.8P516G84-P516 WeakPolarHBondContact O-CA 3.18Å; G84-P516 WeakPolarHBondContact O-CB 3.25Å
85T85.3Confident90.1Very high28 Ų2852.9 Ų52.917%0.17226%0.263CS..  trans-117.2173.2-17970.10000110.1F87 N88 R92 N514T85-F87 VanDerWaalsContact C-N 3.25Å; T85-F87 PolarHBondContact O-N 3.37Å; T85-N88 PolarHBondContact N-O 2.92Å; T85-N88 CarbonylContact O-C 3.5Å; T85-N88 PolarHBondContact O-N 3.1Å; T85-N88 WeakPolarHBondContact OG1-CB 3.46Å; T85-N88 PolarHBondContact OG1-N 3.13Å; T85-N88 VanDerWaalsContact OG1-N 3.12Å; T85-R92 VanDerWaalsContact O-CZ 3.27Å; T85-R92 PolarHBondContact O-NH1 3.42Å; T85-R92 PolarHBondContact O-NH2 3.04Å; T85-N514 VanDerWaalsContact CG2-C 3.5Å; T85-N514 WeakPolarHBondContact CG2-O 3.25Å
86I82.2Confident89.8Confident5 Ų550.1 Ų50.13%0.02625%0.251CS..SBendtrans-55.7-42.5179.9-61.2176.1000111M1 A224 L510 K517 L520M1-I86 HydrophobicContact CE-CG2 3.57Å; M1-I86 HydrophobicContact CG-CG2 4.08Å; I86-A224 HydrophobicContact CD1-CB 4.11Å; I86-L510 HydrophobicContact CD1-CD2 3.47Å; I86-L510 VanDerWaalsContact CD1-CD2 3.47Å; I86-K517 HydrophobicContact CD1-CB 4.24Å; I86-K517 HydrophobicContact CD1-CD 4.15Å; I86-K517 HydrophobicContact CD1-CG 4.13Å; I86-K517 HydrophobicContact CG1-CB 3.89Å; I86-K517 HydrophobicContact CG1-CD 4.15Å; I86-K517 HydrophobicContact CG1-CG 4.23Å; I86-L520 HydrophobicContact CD1-CD1 4.09Å
87F81.1Confident89.6Confident74 Ų7451.2 Ų51.233%0.32526%0.257SS..SBendtrans-82.2-33.7176.9-77.2-86.7000114.3M1 T85 A89 L510 E511M1-F87 HydrophobicContact CB-CD1 4.46Å; M1-F87 HydrophobicContact CB-CE1 4.36Å; M1-F87 HydrophobicContact CE-CD1 4.45Å; M1-F87 HydrophobicContact CE-CD2 3.88Å; M1-F87 HydrophobicContact CE-CE1 3.79Å; M1-F87 HydrophobicContact CE-CE2 3.08Å; M1-F87 HydrophobicContact CE-CG 4.49Å; M1-F87 HydrophobicContact CE-CZ 3.05Å; M1-F87 HydrophobicContact CG-CD1 3.56Å; M1-F87 HydrophobicContact CG-CD2 4.27Å; M1-F87 HydrophobicContact CG-CE1 3.41Å; M1-F87 VanDerWaalsContact CG-CE1 3.41Å; M1-F87 HydrophobicContact CG-CE2 4.13Å; M1-F87 HydrophobicContact CG-CG 4Å; M1-F87 HydrophobicContact CG-CZ 3.73Å; M1-F87 HydrophobicContact SD-CD1 4.02Å; M1-F87 HydrophobicContact SD-CD2 4.49Å; M1-F87 HydrophobicContact SD-CE1 3.22Å; M1-F87 WeakPolarHBondContact SD-CE1 3.24Å; M1-F87 HydrophobicContact SD-CE2 3.77Å; M1-F87 HydrophobicContact SD-CZ 3.08Å; M1-F87 WeakPolarHBondContact SD-CZ 3.45Å; T85-F87 VanDerWaalsContact C-N 3.25Å; T85-F87 PolarHBondContact O-N 3.37Å; F87-A89 PolarHBondContact O-N 2.91Å; F87-L510 HydrophobicContact CE2-CB 3.93Å; F87-L510 VanDerWaalsContact CE2-O 3.31Å; F87-L510 WeakPolarHBondContact CE2-O 3.41Å; F87-E511 HydrophobicContact CE1-CG 4.01Å; F87-E511 HydrophobicContact CE2-CB 4.17Å; F87-E511 HydrophobicContact CE2-CG 3.74Å; F87-E511 HydrophobicContact CZ-CB 4.2Å; F87-E511 HydrophobicContact CZ-CG 3.28Å
88N83.9Confident89.5Confident77 Ų7751.6 Ų51.641%0.41226%0.259SS..  trans-91.190.3-179.1-173.74.3000111.7T85 V90 P91 R92T85-N88 PolarHBondContact N-O 2.92Å; T85-N88 CarbonylContact O-C 3.5Å; T85-N88 PolarHBondContact O-N 3.1Å; T85-N88 WeakPolarHBondContact OG1-CB 3.46Å; T85-N88 PolarHBondContact OG1-N 3.13Å; T85-N88 VanDerWaalsContact OG1-N 3.12Å; N88-V90 PolarHBondContact OD1-N 3.25Å; N88-P91 WeakPolarHBondContact OD1-CD 3.41Å; N88-R92 PolarHBondContact O-NH1 3.44Å; N88-R92 VanDerWaalsContact O-NH1 3.14Å
89A83.7Confident89.4Confident23 Ų2352.3 Ų52.319%0.1926%0.262CS..  trans-86.2-4.917900000114.6P2 F87 P91 R92P2-A89 HydrophobicContact CG-CB 4.41Å; F87-A89 PolarHBondContact O-N 2.91Å; A89-P91 VanDerWaalsContact C-CD 3.48Å; A89-R92 WeakPolarHBondContact O-CA 3.36Å; A89-R92 PolarHBondContact O-N 2.86Å
90V86.7Confident89.3Confident103 Ų10349.8 Ų49.862%0.62425%0.252SS*.G310 helixtrans-56.3-43.3-176.4179.60000112.8N88 R92 R93N88-V90 PolarHBondContact OD1-N 3.25Å; V90-R92 PolarHBondContact O-N 2.89Å; V90-R93 WeakPolarHBondContact O-CB 3.4Å; V90-R93 WeakPolarHBondContact O-CG 3.33Å; V90-R93 PolarHBondContact O-N 2.92Å
91P88.2Confident89.2Confident58 Ų5855 Ų5538%0.37727%0.274SS..G310 helixtrans-60.9-25.7176.6-24.436.5000113.4Q83 N88 A89Q83-P91 HydrophobicContact CB-CB 3.7Å; N88-P91 WeakPolarHBondContact OD1-CD 3.41Å; A89-P91 VanDerWaalsContact C-CD 3.48Å
92R89.1Confident89.2Confident6 Ų656.2 Ų56.22%0.02328%0.279CS..G310 helixtrans-94.211.4-175.8-57-172.1-65.8-87.67.9113.8S15 S81 Q83 T85 N88 A89 V90 L94 V95S15-R92 PolarHBondContact OG-NE 2.8Å; S81-R92 VanDerWaalsContact O-CD 3.25Å; S81-R92 WeakPolarHBondContact O-CD 3.22Å; Q83-R92 VanDerWaalsContact O-CD 3.23Å; Q83-R92 WeakPolarHBondContact O-CD 3.42Å; Q83-R92 WeakPolarHBondContact O-CG 3.35Å; Q83-R92 PolarHBondContact O-NH1 3.39Å; T85-R92 VanDerWaalsContact O-CZ 3.27Å; T85-R92 PolarHBondContact O-NH1 3.42Å; T85-R92 PolarHBondContact O-NH2 3.04Å; N88-R92 PolarHBondContact O-NH1 3.44Å; N88-R92 VanDerWaalsContact O-NH1 3.14Å; A89-R92 WeakPolarHBondContact O-CA 3.36Å; A89-R92 PolarHBondContact O-N 2.86Å; V90-R92 PolarHBondContact O-N 2.89Å; R92-L94 PolarHBondContact O-N 2.84Å; R92-V95 HydrophobicContact CB-CG2 3.99Å; R92-V95 WeakPolarHBondContact O-CB 3.31Å; R92-V95 WeakPolarHBondContact O-CG2 3.28Å; R92-V95 PolarHBondContact O-N 3.15Å
93R88.9Confident89.2Confident204 Ų20457.7 Ų57.777%0.7729%0.289SS*.THydrogen-bonded Turntrans-56.4-19.717967.5-177.1-179.4173.2-1.4114.8V90V90-R93 WeakPolarHBondContact O-CB 3.4Å; V90-R93 WeakPolarHBondContact O-CG 3.33Å; V90-R93 PolarHBondContact O-N 2.92Å
94L92.5Very high89.4Confident58 Ų5858.5 Ų58.530%0.30429%0.294SS..THydrogen-bonded Turntrans-84.1-19.8178.9-170.466.9000112.9Y76 V80 R92 K97 L98Y76-L94 HydrophobicContact CE1-CD2 3.82Å; Y76-L94 WeakPolarHBondContact OH-CD2 3.44Å; V80-L94 HydrophobicContact CG1-CB 4.04Å; V80-L94 HydrophobicContact CG2-CD2 4.36Å; R92-L94 PolarHBondContact O-N 2.84Å; L94-K97 HydrophobicContact CD1-CB 4.11Å; L94-K97 HydrophobicContact CD1-CD 4.01Å; L94-K97 HydrophobicContact CD1-CG 4.46Å; L94-K97 WeakPolarHBondContact O-CB 3.29Å; L94-K97 PolarHBondContact O-N 2.85Å; L94-L98 HydrophobicContact CG-CD1 4.37Å; L94-L98 HydrophobicContact CG-CG 4.2Å; L94-L98 PolarHBondContact O-N 2.9Å
95V91.8Very high89.8Confident0 Ų059.4 Ų59.40%029%0.292CS..Hα-helixtrans-55.2-47.2-177.9177.70000112.5I4 F18 V80 R92 K97 L98 L99I4-V95 HydrophobicContact CD1-CG1 3.98Å; F18-V95 HydrophobicContact CD2-CG1 3.95Å; F18-V95 HydrophobicContact CE2-CG1 4.44Å; V80-V95 HydrophobicContact CB-CG2 4.45Å; V80-V95 HydrophobicContact CG1-CG2 3.74Å; R92-V95 HydrophobicContact CB-CG2 3.99Å; R92-V95 WeakPolarHBondContact O-CB 3.31Å; R92-V95 WeakPolarHBondContact O-CG2 3.28Å; R92-V95 PolarHBondContact O-N 3.15Å; V95-K97 VanDerWaalsContact C-N 3.26Å; V95-K97 PolarHBondContact O-N 3.39Å; V95-L98 PolarHBondContact O-N 2.78Å; V95-L98 VanDerWaalsContact O-N 3.13Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 WeakPolarHBondContact O-CG 3.42Å; V95-L99 PolarHBondContact O-N 3.09Å
96P90.6Very high90.2Very high30 Ų3060.1 Ų60.120%0.19529%0.292CS..Hα-helixtrans-57.9-38176.3-23.632.9000113.2I4 M6 L99 Y100I4-P96 HydrophobicContact CD1-CB 4.49Å; I4-P96 HydrophobicContact CD1-CG 4.01Å; I4-P96 HydrophobicContact CG1-CG 4.04Å; M6-P96 HydrophobicContact CG-CB 4.16Å; P96-L99 PolarHBondContact O-N 3.32Å; P96-Y100 WeakPolarHBondContact O-CD2 3.4Å; P96-Y100 PolarHBondContact O-N 3.44Å
97K92.6Very high90.8Very high130 Ų13065 Ų6557%0.56532%0.318SS*.Hα-helixtrans-66.5-42.4177.7-59.4-168.9-173.7178.20111.4L94 V95 L99 Y100 F101L94-K97 HydrophobicContact CD1-CB 4.11Å; L94-K97 HydrophobicContact CD1-CD 4.01Å; L94-K97 HydrophobicContact CD1-CG 4.46Å; L94-K97 WeakPolarHBondContact O-CB 3.29Å; L94-K97 PolarHBondContact O-N 2.85Å; V95-K97 VanDerWaalsContact C-N 3.26Å; V95-K97 PolarHBondContact O-N 3.39Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 3.2Å; K97-Y100 PolarHBondContact O-N 2.69Å; K97-F101 WeakPolarHBondContact O-CD2 3.34Å; K97-F101 PolarHBondContact O-N 3.45Å; K97-F101 VanDerWaalsContact O-N 3.16Å
98L94.1Very high91.4Very high14 Ų1466.9 Ų66.97%0.07333%0.326CS..Hα-helixtrans-61.9-41.3175.8-67.2174.4000111.6H73 Y76 V80 L94 V95 Y100 F101 R102H73-L98 PolarHBondContact CE1-O 3.39Å; H73-L98 VanDerWaalsContact CE1-O 3.25Å; H73-L98 PolarHBondContact NE2-O 2.79Å; Y76-L98 HydrophobicContact CD1-CD1 3.78Å; Y76-L98 HydrophobicContact CD1-CD2 3.75Å; Y76-L98 HydrophobicContact CD1-CG 4.43Å; Y76-L98 HydrophobicContact CE1-CD1 3.91Å; Y76-L98 HydrophobicContact CE1-CD2 3.87Å; Y76-L98 HydrophobicContact CE1-CG 4.46Å; V80-L98 HydrophobicContact CB-CD1 4.17Å; V80-L98 HydrophobicContact CG1-CD1 4.47Å; V80-L98 HydrophobicContact CG2-CD1 4.09Å; L94-L98 HydrophobicContact CG-CD1 4.37Å; L94-L98 HydrophobicContact CG-CG 4.2Å; L94-L98 PolarHBondContact O-N 2.9Å; V95-L98 PolarHBondContact O-N 2.78Å; V95-L98 VanDerWaalsContact O-N 3.13Å; L98-Y100 PolarHBondContact O-N 3.21Å; L98-F101 CarbonylContact O-C 3.59Å; L98-F101 WeakPolarHBondContact O-CB 3.34Å; L98-F101 PolarHBondContact O-N 3.08Å; L98-F101 VanDerWaalsContact O-N 3.13Å; L98-R102 PolarHBondContact O-N 3.21Å
99L92.6Very high91.9Very high21 Ų2164.1 Ų64.111%0.1131%0.311CS..Hα-helixtrans-67.3-33.7177.3-66171000112.8I4 M6 F18 V95 P96 K97 F101 R102 C103I4-L99 HydrophobicContact CD1-CD1 3.48Å; I4-L99 VanDerWaalsContact CD1-CD1 3.48Å; M6-L99 HydrophobicContact CE-CB 3.41Å; M6-L99 VanDerWaalsContact CE-CB 3.41Å; M6-L99 HydrophobicContact SD-CB 3.51Å; M6-L99 VanDerWaalsContact SD-CB 3.51Å; M6-L99 HydrophobicContact SD-CD1 3.5Å; M6-L99 VanDerWaalsContact SD-CD1 3.5Å; M6-L99 HydrophobicContact SD-CG 4.17Å; F18-L99 HydrophobicContact CD1-CD1 4.41Å; F18-L99 HydrophobicContact CD1-CD2 3.78Å; F18-L99 HydrophobicContact CD2-CD1 4.2Å; F18-L99 HydrophobicContact CE1-CD1 3.87Å; F18-L99 HydrophobicContact CE1-CD2 3.57Å; F18-L99 HydrophobicContact CE1-CG 4.37Å; F18-L99 HydrophobicContact CE2-CD1 3.63Å; F18-L99 HydrophobicContact CG-CD2 4.43Å; F18-L99 HydrophobicContact CZ-CD1 3.44Å; F18-L99 VanDerWaalsContact CZ-CD1 3.44Å; F18-L99 HydrophobicContact CZ-CD2 4.07Å; F18-L99 HydrophobicContact CZ-CG 4.41Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 WeakPolarHBondContact O-CG 3.42Å; V95-L99 PolarHBondContact O-N 3.09Å; P96-L99 PolarHBondContact O-N 3.32Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 3.2Å; L99-F101 VanDerWaalsContact C-N 3.35Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 PolarHBondContact O-N 2.96Å; L99-C103 PolarHBondContact O-N 3.14Å; L99-C103 PolarHBondContact O-SG 3.15Å; L99-C103 VanDerWaalsContact O-SG 3.34Å
100Y93.2Very high92.4Very high91 Ų9165.1 Ų65.136%0.35732%0.315SS..Hα-helixtrans-61.8-41.6169.5-71.1-58.7000112M6 F7 P96 K97 L98 R102 C103 I104M6-Y100 HydrophobicContact CE-CD1 3.76Å; M6-Y100 HydrophobicContact CE-CD2 4.31Å; M6-Y100 HydrophobicContact CE-CE1 3.8Å; M6-Y100 HydrophobicContact CE-CE2 4.35Å; M6-Y100 HydrophobicContact CE-CG 4.02Å; F7-Y100 HydrophobicContact CD1-CD1 4.47Å; F7-Y100 AromaticContact CD1-CE1 3.7Å; F7-Y100 HydrophobicContact CD1-CE1 3.7Å; F7-Y100 HydrophobicContact CD2-CE1 4.14Å; F7-Y100 AromaticContact CE1-CD1 3.76Å; F7-Y100 HydrophobicContact CE1-CD1 3.76Å; F7-Y100 AromaticContact CE1-CE1 3.43Å; F7-Y100 HydrophobicContact CE1-CE1 3.43Å; F7-Y100 VanDerWaalsContact CE1-CE1 3.43Å; F7-Y100 HydrophobicContact CE2-CD1 4.23Å; F7-Y100 AromaticContact CE2-CE1 3.89Å; F7-Y100 HydrophobicContact CE2-CE1 3.89Å; F7-Y100 HydrophobicContact CG-CE1 4.05Å; F7-Y100 AromaticContact CZ-CD1 3.61Å; F7-Y100 HydrophobicContact CZ-CD1 3.61Å; F7-Y100 AromaticContact CZ-CE1 3.53Å; F7-Y100 HydrophobicContact CZ-CE1 3.53Å; F7-Y100 PolarHBondContact N-OH 3.2Å; P96-Y100 WeakPolarHBondContact O-CD2 3.4Å; P96-Y100 PolarHBondContact O-N 3.44Å; K97-Y100 PolarHBondContact O-N 2.69Å; L98-Y100 PolarHBondContact O-N 3.21Å; Y100-R102 VanDerWaalsContact C-N 3.32Å; Y100-R102 PolarHBondContact O-N 2.93Å; Y100-C103 WeakPolarHBondContact O-CB 3.26Å; Y100-C103 PolarHBondContact O-N 2.96Å; Y100-I104 PolarHBondContact O-N 3.17Å
101F93.8Very high92.8Very high117 Ų11763.8 Ų63.851%0.51331%0.307SS..Hα-helixtrans-63.8-37.5172.2-73.9-67.5000112K97 L98 L99 C103 I104 F105K97-F101 WeakPolarHBondContact O-CD2 3.34Å; K97-F101 PolarHBondContact O-N 3.45Å; K97-F101 VanDerWaalsContact O-N 3.16Å; L98-F101 CarbonylContact O-C 3.59Å; L98-F101 WeakPolarHBondContact O-CB 3.34Å; L98-F101 PolarHBondContact O-N 3.08Å; L98-F101 VanDerWaalsContact O-N 3.13Å; L99-F101 VanDerWaalsContact C-N 3.35Å; F101-C103 VanDerWaalsContact C-N 3.29Å; F101-C103 PolarHBondContact O-N 3.23Å; F101-I104 HydrophobicContact CD1-CD1 4.28Å; F101-I104 WeakPolarHBondContact O-CB 3.41Å; F101-I104 PolarHBondContact O-N 2.87Å; F101-I104 VanDerWaalsContact O-N 3.09Å; F101-F105 WeakPolarHBondContact O-CD2 3.19Å; F101-F105 PolarHBondContact O-N 2.85Å
102R93.3Very high93.1Very high27 Ų2762.6 Ų62.610%0.10230%0.297CS..Hα-helixtrans-60.7-37.5174.3-174.662.9-178.393.9-2.4112.2E25 L98 L99 Y100 I104 F105 F106 D109E25-R102 IonicContact OE1-CZ 3.67Å; E25-R102 IonicContact OE1-NE 3.57Å; E25-R102 PolarHBondContact OE1-NE 3.36Å; E25-R102 IonicContact OE1-NH2 3.12Å; E25-R102 PolarHBondContact OE1-NH2 2.72Å; E25-R102 IonicContact OE2-NE 2.88Å; E25-R102 IonicContact OE2-NH2 2.92Å; L98-R102 PolarHBondContact O-N 3.21Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 PolarHBondContact O-N 2.96Å; Y100-R102 VanDerWaalsContact C-N 3.32Å; Y100-R102 PolarHBondContact O-N 2.93Å; R102-I104 VanDerWaalsContact C-N 3.31Å; R102-I104 PolarHBondContact O-N 3.4Å; R102-F105 PolarHBondContact O-N 3.42Å; R102-F106 WeakPolarHBondContact O-CB 3.23Å; R102-F106 PolarHBondContact O-N 3.36Å; R102-D109 IonicContact CZ-OD2 3.79Å; R102-D109 IonicContact NH1-OD2 3.14Å; R102-D109 PolarHBondContact NH1-OD2 3.32Å; R102-D109 VanDerWaalsContact NH1-OD2 3.14Å; R102-D109 IonicContact NH2-OD2 2.9Å
103C92.3Very high93.3Very high54 Ų5462.3 Ų62.337%0.36530%0.296SS..Hα-helixtrans-61.2-40.1173.6-65.50000111.9L99 Y100 F101 F106 I107L99-C103 PolarHBondContact O-N 3.14Å; L99-C103 PolarHBondContact O-SG 3.15Å; L99-C103 VanDerWaalsContact O-SG 3.34Å; Y100-C103 WeakPolarHBondContact O-CB 3.26Å; Y100-C103 PolarHBondContact O-N 2.96Å; F101-C103 VanDerWaalsContact C-N 3.29Å; F101-C103 PolarHBondContact O-N 3.23Å; C103-F106 PolarHBondContact O-N 3.24Å; C103-I107 WeakPolarHBondContact O-CG1 3.31Å; C103-I107 PolarHBondContact O-N 3.24Å; C103-I107 VanDerWaalsContact O-N 3.12Å
104I94.8Very high93.7Very high85 Ų8556.3 Ų56.344%0.43628%0.281SS..Hα-helixtrans-63.7-47.6175.2-62.1170.3000110Y100 F101 R102 F106 I107 F108Y100-I104 PolarHBondContact O-N 3.17Å; F101-I104 HydrophobicContact CD1-CD1 4.28Å; F101-I104 WeakPolarHBondContact O-CB 3.41Å; F101-I104 PolarHBondContact O-N 2.87Å; F101-I104 VanDerWaalsContact O-N 3.09Å; R102-I104 VanDerWaalsContact C-N 3.31Å; R102-I104 PolarHBondContact O-N 3.4Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 3.24Å; I104-I107 WeakPolarHBondContact O-CB 3.49Å; I104-I107 PolarHBondContact O-N 2.92Å; I104-I107 VanDerWaalsContact O-N 3.15Å; I104-F108 HydrophobicContact CG2-CD2 4.02Å; I104-F108 HydrophobicContact CG2-CE2 3.74Å; I104-F108 VanDerWaalsContact O-CD2 3.27Å; I104-F108 WeakPolarHBondContact O-CD2 3.09Å; I104-F108 PolarHBondContact O-N 2.9Å
105F94.4Very high93.8Very high43 Ų4356.3 Ų56.319%0.18928%0.284CS..Hα-helixtrans-62.3-34.6176.3-65.9-46.6000113H66 V69 L70 H73 F101 R102 I107 F108 D109H66-F105 AromaticContact CE1-CD1 3.91Å; V69-F105 HydrophobicContact CG1-CE1 3.97Å; V69-F105 HydrophobicContact CG1-CE2 4.44Å; V69-F105 HydrophobicContact CG1-CZ 3.73Å; L70-F105 HydrophobicContact CD2-CB 3.7Å; L70-F105 HydrophobicContact CD2-CD2 3.89Å; L70-F105 HydrophobicContact CD2-CG 3.95Å; L70-F105 HydrophobicContact CG-CB 4.39Å; H73-F105 HydrophobicContact CB-CE2 4.27Å; H73-F105 AromaticContact CG-CE2 3.95Å; F101-F105 WeakPolarHBondContact O-CD2 3.19Å; F101-F105 PolarHBondContact O-N 2.85Å; R102-F105 PolarHBondContact O-N 3.42Å; F105-I107 VanDerWaalsContact C-N 3.33Å; F105-I107 PolarHBondContact O-N 3.27Å; F105-F108 CarbonylContact O-C 3.58Å; F105-F108 WeakPolarHBondContact O-CA 3.34Å; F105-F108 WeakPolarHBondContact O-CB 3.41Å; F105-F108 PolarHBondContact O-N 2.82Å; F105-F108 VanDerWaalsContact O-N 3.12Å; F105-D109 PolarHBondContact O-N 3.31Å
106F94Very high93.9Very high42 Ų4256.3 Ų56.318%0.18428%0.284CS..Hα-helixtrans-63.9-37.6175.2179.4-102000112.2R102 C103 I104 F108 D109 V110 V148 T151 L152R102-F106 WeakPolarHBondContact O-CB 3.23Å; R102-F106 PolarHBondContact O-N 3.36Å; C103-F106 PolarHBondContact O-N 3.24Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 3.24Å; F106-F108 VanDerWaalsContact C-N 3.29Å; F106-F108 PolarHBondContact O-N 3.13Å; F106-D109 WeakPolarHBondContact O-CB 3.42Å; F106-D109 PolarHBondContact O-N 2.9Å; F106-V110 HydrophobicContact CE1-CG2 4.07Å; F106-V110 HydrophobicContact CE2-CG2 4.49Å; F106-V110 HydrophobicContact CZ-CG2 4.03Å; F106-V110 WeakPolarHBondContact O-CG2 3.3Å; F106-V110 PolarHBondContact O-N 2.04Å; F106-V148 HydrophobicContact CE2-CB 4.47Å; F106-V148 HydrophobicContact CE2-CG1 4.12Å; F106-V148 HydrophobicContact CE2-CG2 4.45Å; F106-V148 HydrophobicContact CZ-CG1 4.01Å; F106-T151 HydrophobicContact CD2-CG2 3.86Å; F106-T151 HydrophobicContact CE2-CG2 3.87Å; F106-L152 HydrophobicContact CE1-CD2 4.03Å; F106-L152 HydrophobicContact CZ-CD1 4.38Å; F106-L152 HydrophobicContact CZ-CD2 3.68Å; F106-L152 HydrophobicContact CZ-CG 3.78Å
107I94.6Very high94.1Very high109 Ų10956.6 Ų56.656%0.55929%0.289SS*.Hα-helixtrans-61.7-42172.2-65.3166.4000110C103 I104 F105 V110 V111C103-I107 WeakPolarHBondContact O-CG1 3.31Å; C103-I107 PolarHBondContact O-N 3.24Å; C103-I107 VanDerWaalsContact O-N 3.12Å; I104-I107 WeakPolarHBondContact O-CB 3.49Å; I104-I107 PolarHBondContact O-N 2.92Å; I104-I107 VanDerWaalsContact O-N 3.15Å; F105-I107 VanDerWaalsContact C-N 3.33Å; F105-I107 PolarHBondContact O-N 3.27Å; I107-V110 PolarHBondContact O-N 3.23Å; I107-V111 HydrophobicContact CG2-CG2 4.48Å; I107-V111 WeakPolarHBondContact O-CG2 3.24Å; I107-V111 PolarHBondContact O-N 3.2Å
108F94.7Very high94.2Very high113 Ų11353.2 Ų53.250%0.49628%0.282SS..Hα-helixtrans-64.4-40.4174.4-76.6-71.8000113I104 F105 F106 V110 V111 L112I104-F108 HydrophobicContact CG2-CD2 4.02Å; I104-F108 HydrophobicContact CG2-CE2 3.74Å; I104-F108 VanDerWaalsContact O-CD2 3.27Å; I104-F108 WeakPolarHBondContact O-CD2 3.09Å; I104-F108 PolarHBondContact O-N 2.9Å; F105-F108 CarbonylContact O-C 3.58Å; F105-F108 WeakPolarHBondContact O-CA 3.34Å; F105-F108 WeakPolarHBondContact O-CB 3.41Å; F105-F108 PolarHBondContact O-N 2.82Å; F105-F108 VanDerWaalsContact O-N 3.12Å; F106-F108 VanDerWaalsContact C-N 3.29Å; F106-F108 PolarHBondContact O-N 3.13Å; F108-V110 VanDerWaalsContact C-N 3.29Å; F108-V110 PolarHBondContact O-N 2.82Å; F108-V111 PolarHBondContact O-N 2.84Å; F108-L112 WeakPolarHBondContact O-CB 3.42Å; F108-L112 WeakPolarHBondContact O-CG 3.23Å; F108-L112 PolarHBondContact O-N 3.12Å
109D93.4Very high94.1Very high18 Ų1853.7 Ų53.710%0.09628%0.284CS..Hα-helixtrans-54.5-46.9173.4-77.6-50.1000109.9R29 H66 R102 F105 F106 L112 A113 V148R29-D109 IonicContact CZ-OD1 2.95Å; R29-D109 IonicContact NH1-OD1 2.74Å; R29-D109 IonicContact NH2-OD1 3.31Å; R29-D109 PolarHBondContact NH2-OD1 3.48Å; R29-D109 VanDerWaalsContact NH2-OD1 3.12Å; R29-D109 IonicContact NH2-OD2 2.59Å; R29-D109 PolarHBondContact NH2-OD2 3.23Å; H66-D109 IonicContact CD2-OD1 2.66Å; H66-D109 IonicContact NE2-OD1 3.24Å; H66-D109 PolarHBondContact NE2-OD1 3.34Å; R102-D109 IonicContact CZ-OD2 3.79Å; R102-D109 IonicContact NH1-OD2 3.14Å; R102-D109 PolarHBondContact NH1-OD2 3.32Å; R102-D109 VanDerWaalsContact NH1-OD2 3.14Å; R102-D109 IonicContact NH2-OD2 2.9Å; F105-D109 PolarHBondContact O-N 3.31Å; F106-D109 WeakPolarHBondContact O-CB 3.42Å; F106-D109 PolarHBondContact O-N 2.9Å; D109-L112 PolarHBondContact O-N 2.94Å; D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 2.57Å; D109-V148 HydrophobicContact CB-CG2 4.32Å
110V95.3Very high94Very high45 Ų4553 Ų5327%0.27328%0.282SS..Hα-helixtrans-65.8-45.8178.9175.40000111.7F106 I107 F108 L112 A113 V114 V148F106-V110 HydrophobicContact CE1-CG2 4.07Å; F106-V110 HydrophobicContact CE2-CG2 4.49Å; F106-V110 HydrophobicContact CZ-CG2 4.03Å; F106-V110 WeakPolarHBondContact O-CG2 3.3Å; F106-V110 PolarHBondContact O-N 2.04Å; I107-V110 PolarHBondContact O-N 3.23Å; F108-V110 VanDerWaalsContact C-N 3.29Å; F108-V110 PolarHBondContact O-N 2.82Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.12Å; V110-A113 PolarHBondContact O-N 2.76Å; V110-V114 HydrophobicContact CG1-CG2 4.48Å; V110-V114 WeakPolarHBondContact O-CG2 3.04Å; V110-V114 PolarHBondContact O-N 2.98Å; V110-V148 HydrophobicContact CG2-CG1 3.98Å; V110-V148 HydrophobicContact CG2-CG2 4.18Å
111V95.8Very high94Very high75 Ų7552.5 Ų52.546%0.45529%0.291SS..Hα-helixtrans-60.2-45.4177.9170.50000110.7I107 F108 A113 V114 V115I107-V111 HydrophobicContact CG2-CG2 4.48Å; I107-V111 WeakPolarHBondContact O-CG2 3.24Å; I107-V111 PolarHBondContact O-N 3.2Å; F108-V111 PolarHBondContact O-N 2.84Å; V111-A113 PolarHBondContact O-N 3Å; V111-V114 PolarHBondContact O-N 3.05Å; V111-V115 HydrophobicContact CG1-CG2 4.31Å; V111-V115 WeakPolarHBondContact O-CB 3.16Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.09Å
112L94Very high93.9Very high33 Ų3354.1 Ų54.117%0.17329%0.294CS..Hα-helixtrans-64.9-38.3177.1-71172.3000111.8Y59 F62 I63 H66 F108 D109 V110 G116Y59-L112 VanDerWaalsContact CE2-O 3.27Å; Y59-L112 WeakPolarHBondContact CE2-O 2.97Å; F62-L112 HydrophobicContact CB-CD2 4.35Å; I63-L112 HydrophobicContact CG1-CD1 4.37Å; H66-L112 HydrophobicContact CB-CD1 4.05Å; F108-L112 WeakPolarHBondContact O-CB 3.42Å; F108-L112 WeakPolarHBondContact O-CG 3.23Å; F108-L112 PolarHBondContact O-N 3.12Å; D109-L112 PolarHBondContact O-N 2.94Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.12Å; L112-G116 PolarHBondContact O-N 3.44Å
113A93.7Very high93.6Very high0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-63.7-42175.400000112.1D109 V110 V111 A117 W145D109-A113 WeakPolarHBondContact O-CB 3.4Å; D109-A113 PolarHBondContact O-N 2.57Å; V110-A113 PolarHBondContact O-N 2.76Å; V111-A113 PolarHBondContact O-N 3Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 2.78Å; A113-W145 HydrophobicContact CB-CD2 4.22Å; A113-W145 HydrophobicContact CB-CZ2 4.14Å
114V95.9Very high93.4Very high77 Ų7753.5 Ų53.547%0.46729%0.291SS..Hα-helixtrans-66.8-48.5176.4172.40000111.3V110 V111 G116 A117 S118 W145V110-V114 HydrophobicContact CG1-CG2 4.48Å; V110-V114 WeakPolarHBondContact O-CG2 3.04Å; V110-V114 PolarHBondContact O-N 2.98Å; V111-V114 PolarHBondContact O-N 3.05Å; V114-G116 VanDerWaalsContact C-N 3.32Å; V114-G116 PolarHBondContact O-N 2.91Å; V114-A117 PolarHBondContact O-N 2.77Å; V114-S118 PolarHBondContact O-N 3.44Å; V114-W145 HydrophobicContact CG2-CH2 4.15Å; V114-W145 HydrophobicContact CG2-CZ2 4Å
115V95.4Very high93.1Very high59 Ų5954.2 Ų54.236%0.35830%0.304SS..Hα-helixtrans-59.5-46.3177.6169.40000110Y59 V111 A117 S118 L119Y59-V115 HydrophobicContact CD2-CG1 4.45Å; V111-V115 HydrophobicContact CG1-CG2 4.31Å; V111-V115 WeakPolarHBondContact O-CB 3.16Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.09Å; V115-A117 PolarHBondContact O-N 2.93Å; V115-S118 PolarHBondContact O-N 3.43Å; V115-S118 PolarHBondContact O-OG 2.89Å; V115-L119 HydrophobicContact CG1-CD1 3.73Å; V115-L119 HydrophobicContact CG1-CG 4.28Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 2.76Å
116G93.7Very high92.7Very high0 Ų053.9 Ų53.90%031%0.307CS..Hα-helixtrans-57.7-47.7176.300000113.3Y59 L112 V114 S118 L119 A120Y59-G116 VanDerWaalsContact CE2-CA 3.46Å; Y59-G116 WeakPolarHBondContact OH-CA 3.22Å; L112-G116 PolarHBondContact O-N 3.44Å; V114-G116 VanDerWaalsContact C-N 3.32Å; V114-G116 PolarHBondContact O-N 2.91Å; G116-S118 VanDerWaalsContact C-N 3.34Å; G116-S118 PolarHBondContact O-N 2.77Å; G116-L119 PolarHBondContact O-N 3.3Å; G116-A120 WeakPolarHBondContact O-CB 3.47Å; G116-A120 PolarHBondContact O-N 2.88Å
117A94.4Very high92.1Very high36 Ų3655.1 Ų55.130%0.29833%0.331SS..Hα-helixtrans-61.7-41.7176.400000112.2A113 V114 V115 S121 V141A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 2.78Å; V114-A117 PolarHBondContact O-N 2.77Å; V115-A117 PolarHBondContact O-N 2.93Å; A117-S121 VanDerWaalsContact O-CB 3.25Å; A117-S121 WeakPolarHBondContact O-CB 2.98Å; A117-S121 PolarHBondContact O-N 2.8Å; A117-V141 HydrophobicContact CB-CG1 3.89Å
118S94.7Very high91.5Very high59 Ų5953.6 Ų53.641%0.41333%0.327SS..Hα-helixtrans-65.6-43.5178.578.30000112.3V114 V115 G116 R122V114-S118 PolarHBondContact O-N 3.44Å; V115-S118 PolarHBondContact O-N 3.43Å; V115-S118 PolarHBondContact O-OG 2.89Å; G116-S118 VanDerWaalsContact C-N 3.34Å; G116-S118 PolarHBondContact O-N 2.77Å; S118-R122 VanDerWaalsContact O-CG 3.3Å; S118-R122 WeakPolarHBondContact O-CG 3.48Å; S118-R122 PolarHBondContact O-N 3.14Å
119L92.3Very high90.9Very high24 Ų2449 Ų4913%0.12631%0.309CS..Hα-helixtrans-69.1-44.1179.1-72.4173.7000111L56 Y59 V115 G116 S121 R122 A123L56-L119 HydrophobicContact CD2-CB 3.95Å; Y59-L119 HydrophobicContact CG-CD1 4.44Å; V115-L119 HydrophobicContact CG1-CD1 3.73Å; V115-L119 HydrophobicContact CG1-CG 4.28Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 2.76Å; G116-L119 PolarHBondContact O-N 3.3Å; L119-S121 PolarHBondContact O-N 2.64Å; L119-R122 PolarHBondContact O-N 2.94Å; L119-A123 VanDerWaalsContact O-CB 3.25Å; L119-A123 WeakPolarHBondContact O-CB 3.46Å; L119-A123 PolarHBondContact O-N 3.13Å
120A91.3Very high90.5Very high7 Ų751.5 Ų51.56%0.05832%0.322CS..Hα-helixtrans-61-45.1176.400000111.1G116 A123 V124 I137 Q138G116-A120 WeakPolarHBondContact O-CB 3.47Å; G116-A120 PolarHBondContact O-N 2.88Å; A120-A123 PolarHBondContact O-N 3.41Å; A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 2.63Å; A120-I137 HydrophobicContact CB-CG2 4.17Å; A120-Q138 HydrophobicContact CB-CG 4.5Å
121S92.1Very high90.1Very high79 Ų7956.3 Ų56.355%0.55234%0.341SS*.Hα-helixtrans-61.1-46.8178.1-177.30000112.3A117 L119 A123 V124 S125A117-S121 VanDerWaalsContact O-CB 3.25Å; A117-S121 WeakPolarHBondContact O-CB 2.98Å; A117-S121 PolarHBondContact O-N 2.8Å; L119-S121 PolarHBondContact O-N 2.64Å; S121-A123 PolarHBondContact O-N 2.88Å; S121-V124 PolarHBondContact O-N 2.62Å; S121-S125 PolarHBondContact O-N 2.79Å; S121-S125 PolarHBondContact O-OG 3.19Å
122R91.5Very high89.6Confident151 Ų15158.7 Ų58.757%0.5735%0.346SS*.Hα-helixtrans-64.8-38.9177.3-68.617877.1-179.84.2112.4F52 S118 L119 S125 S126F52-R122 HydrophobicContact CE1-CB 4.2Å; F52-R122 HydrophobicContact CZ-CB 4.11Å; S118-R122 VanDerWaalsContact O-CG 3.3Å; S118-R122 WeakPolarHBondContact O-CG 3.48Å; S118-R122 PolarHBondContact O-N 3.14Å; L119-R122 PolarHBondContact O-N 2.94Å; R122-S125 WeakPolarHBondContact CA-OG 3.36Å; R122-S125 PolarHBondContact O-N 2.99Å; R122-S125 PolarHBondContact O-OG 3.17Å; R122-S126 PolarHBondContact O-N 3.14Å; R122-S126 VanDerWaalsContact O-N 3.09Å
123A87.6Confident89.1Confident0 Ų057.2 Ų57.20%034%0.338CS..Hα-helixtrans-65.4-41.7176.100000111.8F52 L56 L119 A120 S121 S126 L134F52-A123 HydrophobicContact CB-CB 4.33Å; F52-A123 HydrophobicContact CD2-CB 4.35Å; F52-A123 HydrophobicContact CG-CB 4.49Å; L56-A123 HydrophobicContact CD1-CB 4Å; L119-A123 VanDerWaalsContact O-CB 3.25Å; L119-A123 WeakPolarHBondContact O-CB 3.46Å; L119-A123 PolarHBondContact O-N 3.13Å; A120-A123 PolarHBondContact O-N 3.41Å; S121-A123 PolarHBondContact O-N 2.88Å; A123-S126 PolarHBondContact O-N 2.8Å; A123-S126 PolarHBondContact O-OG 3.36Å; A123-L134 HydrophobicContact CB-CD1 3.68Å
124V88.8Confident88.8Confident69 Ų6958 Ų5842%0.41834%0.342SS..Hα-helixtrans-59.3-48.6172.5173.80000111A120 S121 S126 G127 L134 Q138A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 2.63Å; S121-V124 PolarHBondContact O-N 2.62Å; V124-S126 PolarHBondContact O-N 2.84Å; V124-G127 PolarHBondContact O-N 2.86Å; V124-L134 HydrophobicContact CB-CD2 4.23Å; V124-L134 HydrophobicContact CG2-CD1 4.11Å; V124-L134 HydrophobicContact CG2-CD2 3.56Å; V124-L134 HydrophobicContact CG2-CG 3.96Å; V124-Q138 VanDerWaalsContact CG2-NE2 3.25Å
125S88.1Confident88.5Confident99 Ų9958.1 Ų58.169%0.69234%0.34SS*.Hα-helixtrans-64.2-28.1-178.758.90000113.5S121 R122 G127S121-S125 PolarHBondContact O-N 2.79Å; S121-S125 PolarHBondContact O-OG 3.19Å; R122-S125 WeakPolarHBondContact CA-OG 3.36Å; R122-S125 PolarHBondContact O-N 2.99Å; R122-S125 PolarHBondContact O-OG 3.17Å; S125-G127 VanDerWaalsContact C-N 3.32Å
126S85.4Confident88.2Confident36 Ų3656 Ų5625%0.25233%0.327SS..Hα-helixtrans-70.6-27.9178.177.80000113.1R122 A123 V124 T128R122-S126 PolarHBondContact O-N 3.14Å; R122-S126 VanDerWaalsContact O-N 3.09Å; A123-S126 PolarHBondContact O-N 2.8Å; A123-S126 PolarHBondContact O-OG 3.36Å; V124-S126 PolarHBondContact O-N 2.84Å; S126-T128 WeakPolarHBondContact O-CG2 3.42Å; S126-T128 PolarHBondContact O-N 3.11Å; S126-T128 VanDerWaalsContact O-N 3.11Å; S126-T128 PolarHBondContact OG-N 2.92Å; S126-T128 PolarHBondContact OG-OG1 3Å
127G81.2Confident87.9Confident68 Ų6856 Ų5670%0.70133%0.327SS*.  trans64.28.1-175.700000115.5V124 S125V124-G127 PolarHBondContact O-N 2.86Å; S125-G127 VanDerWaalsContact C-N 3.32Å
128T82Confident87.8Confident77 Ų7757.7 Ų57.747%0.47233%0.329SS..  trans-96.1-11.2-172.560.90000114.8C50 S126C50-T128 PolarHBondContact SG-OG1 3.2Å; S126-T128 WeakPolarHBondContact O-CG2 3.42Å; S126-T128 PolarHBondContact O-N 3.11Å; S126-T128 VanDerWaalsContact O-N 3.11Å; S126-T128 PolarHBondContact OG-N 2.92Å; S126-T128 PolarHBondContact OG-OG1 3Å
129C82.2Confident87.6Confident18 Ų1858 Ų5812%0.12233%0.328CS..SBendtrans-89.8151.6-175.5-87.90000112.4C50 H131C50-C129 HydrophobicContact CB-CB 3.94Å; C50-C129 WeakPolarHBondContact CB-SG 3.24Å; C50-C129 WeakPolarHBondContact SG-CA 3.48Å; C50-C129 WeakPolarHBondContact SG-CB 3.47Å; C50-C129 CovalentContact SG-SG 2.03Å; C50-C129 PolarHBondContact SG-SG 3.31Å; C129-H131 PolarHBondContact O-N 2.98Å
130N85.8Confident87.5Confident70 Ų7056.8 Ų56.837%0.37432%0.322SS..  trans-60.9132.7172.3-175.4-45.5000110.7Y42 E48 F132 F133 L134Y42-N130 PolarHBondContact OH-ND2 3.33Å; E48-N130 WeakPolarHBondContact OE1-CB 3.43Å; E48-N130 WeakPolarHBondContact OE2-CB 3.09Å; E48-N130 PolarHBondContact OE2-N 3.32Å; N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.22Å; N130-F132 WeakPolarHBondContact OD1-CB 3.24Å; N130-F132 PolarHBondContact OD1-N 3.26Å; N130-F133 HydrophobicContact CB-CB 4.11Å; N130-F133 PolarHBondContact O-N 2.82Å; N130-L134 WeakPolarHBondContact O-CB 3.3Å; N130-L134 PolarHBondContact O-N 2.75Å
131H85.2Confident87.6Confident145 Ų14557.1 Ų57.167%0.67132%0.323SS*.Hα-helixtrans-59.1-41.8-178.2-170.560000113.1C129 L134 L135C129-H131 PolarHBondContact O-N 2.98Å; H131-L134 PolarHBondContact O-N 2.88Å; H131-L135 VanDerWaalsContact O-CB 3.27Å; H131-L135 WeakPolarHBondContact O-CB 3.31Å; H131-L135 PolarHBondContact O-N 3.49Å
132F86.1Confident87.6Confident126 Ų12657.5 Ų57.555%0.55332%0.322SS*.Hα-helixtrans-66.1-42179.4-177.6-97.2000112Y42 N130 S136Y42-F132 HydrophobicContact CE2-CD1 4.39Å; N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.22Å; N130-F132 WeakPolarHBondContact OD1-CB 3.24Å; N130-F132 PolarHBondContact OD1-N 3.26Å; F132-S136 WeakPolarHBondContact O-CB 3.41Å; F132-S136 PolarHBondContact O-N 2.87Å; F132-S136 PolarHBondContact O-OG 3.19Å
133F83.8Confident87.5Confident1 Ų151.3 Ų51.30%0.00430%0.303CS..Hα-helixtrans-63-47.7176.4-178.2-121000111.1I39 Y42 A43 E48 L56 N130 S136 I137I39-F133 HydrophobicContact CG2-CE2 4.35Å; Y42-F133 AromaticContact CD1-CD2 3.94Å; Y42-F133 HydrophobicContact CD1-CD2 3.94Å; Y42-F133 HydrophobicContact CE1-CB 3.95Å; Y42-F133 HydrophobicContact CE1-CD2 4.01Å; Y42-F133 HydrophobicContact CE1-CG 4.31Å; A43-F133 HydrophobicContact CB-CE2 3.69Å; A43-F133 HydrophobicContact CB-CZ 4.16Å; E48-F133 HydrophobicContact CG-CD1 4.42Å; L56-F133 HydrophobicContact CB-CE1 3.95Å; L56-F133 HydrophobicContact CB-CZ 4.03Å; L56-F133 HydrophobicContact CD1-CE1 3.77Å; N130-F133 HydrophobicContact CB-CB 4.11Å; N130-F133 PolarHBondContact O-N 2.82Å; F133-S136 WeakPolarHBondContact O-CB 3.28Å; F133-S136 PolarHBondContact O-N 2.86Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CE2-CD1 4.16Å; F133-I137 HydrophobicContact CE2-CG1 4.26Å; F133-I137 HydrophobicContact CZ-CD1 4.11Å; F133-I137 HydrophobicContact CZ-CG1 4.13Å; F133-I137 WeakPolarHBondContact O-CG1 3.44Å; F133-I137 PolarHBondContact O-N 3.22Å
134L86.9Confident87.7Confident17 Ų1752.3 Ų52.39%0.08931%0.31CS..Hα-helixtrans-65.4-41.9-178.2-170.861.9000112.3A123 V124 N130 H131 S136 I137 Q138A123-L134 HydrophobicContact CB-CD1 3.68Å; V124-L134 HydrophobicContact CB-CD2 4.23Å; V124-L134 HydrophobicContact CG2-CD1 4.11Å; V124-L134 HydrophobicContact CG2-CD2 3.56Å; V124-L134 HydrophobicContact CG2-CG 3.96Å; N130-L134 WeakPolarHBondContact O-CB 3.3Å; N130-L134 PolarHBondContact O-N 2.75Å; H131-L134 PolarHBondContact O-N 2.88Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.42Å; L134-I137 PolarHBondContact O-N 3.14Å; L134-Q138 WeakPolarHBondContact O-CG 3.34Å; L134-Q138 PolarHBondContact O-N 3.44Å
135L89.7Confident88Confident80 Ų8054.1 Ų54.142%0.41931%0.31SS..Hα-helixtrans-59.4-42.6173.5-179.364.4000111.1H131 I137 Q138 V139H131-L135 VanDerWaalsContact O-CB 3.27Å; H131-L135 WeakPolarHBondContact O-CB 3.31Å; H131-L135 PolarHBondContact O-N 3.49Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 PolarHBondContact O-N 3.48Å; L135-Q138 PolarHBondContact O-N 2.93Å; L135-V139 WeakPolarHBondContact O-CG2 3.41Å; L135-V139 PolarHBondContact O-N 3.39Å
136S88.7Confident88.1Confident13 Ų1355.2 Ų55.29%0.09131%0.307CS..Hα-helixtrans-60.9-42.1177.3-590000111.9F132 F133 L134 V139 L140F132-S136 WeakPolarHBondContact O-CB 3.41Å; F132-S136 PolarHBondContact O-N 2.87Å; F132-S136 PolarHBondContact O-OG 3.19Å; F133-S136 WeakPolarHBondContact O-CB 3.28Å; F133-S136 PolarHBondContact O-N 2.86Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.42Å; S136-V139 PolarHBondContact O-N 3.19Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 2.87Å
137I88.9Confident88.2Confident0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-64.9-41.9173.7-61.5-62.3000111.5I39 L56 Y59 V60 A120 F133 L134 L135 V139 L140 V141I39-I137 HydrophobicContact CG2-CD1 4.34Å; L56-I137 HydrophobicContact CD2-CG1 4.46Å; L56-I137 HydrophobicContact CD2-CG2 4.09Å; Y59-I137 HydrophobicContact CE1-CG2 4.33Å; V60-I137 HydrophobicContact CG2-CD1 3.35Å; A120-I137 HydrophobicContact CB-CG2 4.17Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CE2-CD1 4.16Å; F133-I137 HydrophobicContact CE2-CG1 4.26Å; F133-I137 HydrophobicContact CZ-CD1 4.11Å; F133-I137 HydrophobicContact CZ-CG1 4.13Å; F133-I137 WeakPolarHBondContact O-CG1 3.44Å; F133-I137 PolarHBondContact O-N 3.22Å; L134-I137 PolarHBondContact O-N 3.14Å; L135-I137 VanDerWaalsContact C-N 3.34Å; L135-I137 PolarHBondContact O-N 3.48Å; I137-V139 PolarHBondContact O-N 3.26Å; I137-L140 HydrophobicContact CD1-CD1 4.23Å; I137-L140 WeakPolarHBondContact O-CA 3.31Å; I137-L140 WeakPolarHBondContact O-CB 3.26Å; I137-L140 PolarHBondContact O-N 2.9Å; I137-L140 VanDerWaalsContact O-N 3.12Å; I137-V141 HydrophobicContact CG2-CG2 4.42Å; I137-V141 WeakPolarHBondContact O-CG2 3.39Å; I137-V141 PolarHBondContact O-N 2.76Å
138Q91.3Very high88.7Confident72 Ų7253 Ų5334%0.33628%0.278SS..Hα-helixtrans-61.6-43.8177.7-73.1174.8-30.100111.8A120 V124 L134 L135 L140 V141 V142A120-Q138 HydrophobicContact CB-CG 4.5Å; V124-Q138 VanDerWaalsContact CG2-NE2 3.25Å; L134-Q138 WeakPolarHBondContact O-CG 3.34Å; L134-Q138 PolarHBondContact O-N 3.44Å; L135-Q138 PolarHBondContact O-N 2.93Å; Q138-L140 VanDerWaalsContact C-N 3.27Å; Q138-L140 PolarHBondContact O-N 2.93Å; Q138-V141 PolarHBondContact O-N 3.01Å; Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.26Å
139V91.5Very high89.1Confident65 Ų6552 Ų5239%0.39428%0.278SS..Hα-helixtrans-58.4-42173.2172.50000110.4W32 F35 L135 S136 I137 V141 V142 A143W32-V139 HydrophobicContact CH2-CG1 4.42Å; F35-V139 HydrophobicContact CE1-CB 4.47Å; F35-V139 HydrophobicContact CE1-CG1 3.91Å; F35-V139 HydrophobicContact CZ-CG1 4.08Å; L135-V139 WeakPolarHBondContact O-CG2 3.41Å; L135-V139 PolarHBondContact O-N 3.39Å; S136-V139 PolarHBondContact O-N 3.19Å; I137-V139 PolarHBondContact O-N 3.26Å; V139-V141 PolarHBondContact O-N 2.9Å; V139-V142 PolarHBondContact O-N 3.1Å; V139-A143 WeakPolarHBondContact O-CB 3.31Å; V139-A143 PolarHBondContact O-N 3.38Å
140L90Very high89.4Confident0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-59.7-44.4176-74.4174.1000113W32 F35 I36 I39 V60 S136 I137 Q138 S144W32-L140 HydrophobicContact CH2-CB 4.46Å; W32-L140 HydrophobicContact CH2-CD2 3.6Å; W32-L140 HydrophobicContact CH2-CG 4.39Å; W32-L140 VanDerWaalsContact CZ2-CA 3.49Å; W32-L140 HydrophobicContact CZ2-CB 4.11Å; W32-L140 HydrophobicContact CZ2-CD2 3.2Å; W32-L140 HydrophobicContact CZ2-CG 4.16Å; W32-L140 HydrophobicContact CZ3-CD2 4.48Å; F35-L140 HydrophobicContact CD1-CD2 3.77Å; F35-L140 HydrophobicContact CD1-CG 4.45Å; F35-L140 HydrophobicContact CE1-CD2 4.01Å; F35-L140 HydrophobicContact CE1-CG 4.21Å; I36-L140 HydrophobicContact CG1-CD2 3.6Å; I39-L140 HydrophobicContact CD1-CD1 3.55Å; I39-L140 HydrophobicContact CD1-CD2 4.06Å; I39-L140 HydrophobicContact CD1-CG 3.69Å; I39-L140 HydrophobicContact CG2-CD1 4.23Å; V60-L140 HydrophobicContact CG2-CD1 4.45Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 2.87Å; I137-L140 HydrophobicContact CD1-CD1 4.23Å; I137-L140 WeakPolarHBondContact O-CA 3.31Å; I137-L140 WeakPolarHBondContact O-CB 3.26Å; I137-L140 PolarHBondContact O-N 2.9Å; I137-L140 VanDerWaalsContact O-N 3.12Å; Q138-L140 VanDerWaalsContact C-N 3.27Å; Q138-L140 PolarHBondContact O-N 2.93Å; L140-S144 WeakPolarHBondContact O-CB 3.2Å; L140-S144 PolarHBondContact O-N 3.26Å; L140-S144 VanDerWaalsContact O-N 3.08Å; L140-S144 PolarHBondContact O-OG 2.91Å
141V92.1Very high89.5Confident13 Ų1351.8 Ų51.88%0.07929%0.287CS..Hα-helixtrans-66.2-46.6179.3172.30000111Y59 A117 I137 Q138 V139 A143 S144 W145Y59-V141 HydrophobicContact CE1-CG2 4.49Å; A117-V141 HydrophobicContact CB-CG1 3.89Å; I137-V141 HydrophobicContact CG2-CG2 4.42Å; I137-V141 WeakPolarHBondContact O-CG2 3.39Å; I137-V141 PolarHBondContact O-N 2.76Å; Q138-V141 PolarHBondContact O-N 3.01Å; V139-V141 PolarHBondContact O-N 2.9Å; V141-A143 PolarHBondContact O-N 3.4Å; V141-S144 WeakPolarHBondContact O-CB 3.26Å; V141-S144 PolarHBondContact O-N 3.48Å; V141-W145 VanDerWaalsContact O-CD1 3.3Å; V141-W145 PolarHBondContact O-N 3.35Å
142V92.2Very high89.7Confident88 Ų8849.4 Ų49.453%0.53328%0.279SS..Hα-helixtrans-60.9-47.2-179.8171.10000110.9Q138 V139 S144 W145 L146Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.26Å; V139-V142 PolarHBondContact O-N 3.1Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.91Å; V142-W145 PolarHBondContact O-N 2.91Å; V142-L146 HydrophobicContact CG1-CD1 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.43Å; V142-L146 PolarHBondContact O-N 3.26Å
143A89.8Confident89.6Confident20 Ų2048.3 Ų48.317%0.16528%0.278CS..Hα-helixtrans-63.5-35.9177.700000112.6W32 V139 V141 W145 L146 V147W32-A143 HydrophobicContact CE3-CB 4.28Å; W32-A143 HydrophobicContact CH2-CB 3.06Å; W32-A143 HydrophobicContact CZ2-CB 3.35Å; W32-A143 HydrophobicContact CZ3-CB 3.58Å; V139-A143 WeakPolarHBondContact O-CB 3.31Å; V139-A143 PolarHBondContact O-N 3.38Å; V141-A143 PolarHBondContact O-N 3.4Å; A143-W145 VanDerWaalsContact C-N 3.33Å; A143-W145 PolarHBondContact O-N 2.86Å; A143-L146 PolarHBondContact O-N 3.29Å; A143-V147 WeakPolarHBondContact O-CG2 3.43Å; A143-V147 PolarHBondContact O-N 3.18Å
144S91.7Very high89.6Confident21 Ų2149.6 Ų49.615%0.14729%0.292CS..Hα-helixtrans-60.7-43173.9-58.10000111.4L140 V141 V142 V147 V148L140-S144 WeakPolarHBondContact O-CB 3.2Å; L140-S144 PolarHBondContact O-N 3.26Å; L140-S144 VanDerWaalsContact O-N 3.08Å; L140-S144 PolarHBondContact O-OG 2.91Å; V141-S144 WeakPolarHBondContact O-CB 3.26Å; V141-S144 PolarHBondContact O-N 3.48Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.91Å; S144-V147 PolarHBondContact O-N 2.99Å; S144-V148 WeakPolarHBondContact O-CG2 3.48Å; S144-V148 PolarHBondContact O-N 3.43Å
145W94.3Very high89.5Confident108 Ų10852 Ų5241%0.40931%0.307SS..Hα-helixtrans-65.1-36.8174.4-81.1109.7000113.3A113 V114 V141 V142 A143 V147 V148 A149A113-W145 HydrophobicContact CB-CD2 4.22Å; A113-W145 HydrophobicContact CB-CZ2 4.14Å; V114-W145 HydrophobicContact CG2-CH2 4.15Å; V114-W145 HydrophobicContact CG2-CZ2 4Å; V141-W145 VanDerWaalsContact O-CD1 3.3Å; V141-W145 PolarHBondContact O-N 3.35Å; V142-W145 PolarHBondContact O-N 2.91Å; A143-W145 VanDerWaalsContact C-N 3.33Å; A143-W145 PolarHBondContact O-N 2.86Å; W145-V147 VanDerWaalsContact C-N 3.34Å; W145-V148 HydrophobicContact CE3-CB 4.5Å; W145-V148 HydrophobicContact CE3-CG1 4.38Å; W145-V148 HydrophobicContact CZ3-CG1 4.41Å; W145-V148 PolarHBondContact O-N 3Å; W145-A149 WeakPolarHBondContact O-CB 3.15Å; W145-A149 PolarHBondContact O-N 2.89Å
146L91.5Very high89.1Confident122 Ų12254.3 Ų54.364%0.63931%0.311SS*.Hα-helixtrans-62.6-41.2174.5-68.8175.4000111.7V142 A143 A149 G150V142-L146 HydrophobicContact CG1-CD1 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.43Å; V142-L146 PolarHBondContact O-N 3.26Å; A143-L146 PolarHBondContact O-N 3.29Å; L146-A149 PolarHBondContact O-N 2.85Å; L146-G150 PolarHBondContact O-N 3.39Å
147V88.1Confident88.4Confident49 Ų4958.9 Ų58.930%0.29733%0.333SS..Hα-helixtrans-65.1-42.5175.6173.10000111.4A143 S144 W145 G150 T151A143-V147 WeakPolarHBondContact O-CG2 3.43Å; A143-V147 PolarHBondContact O-N 3.18Å; S144-V147 PolarHBondContact O-N 2.99Å; W145-V147 VanDerWaalsContact C-N 3.34Å; V147-G150 PolarHBondContact O-N 3.3Å; V147-T151 WeakPolarHBondContact O-CB 3.37Å; V147-T151 PolarHBondContact O-N 3.2Å; V147-T151 PolarHBondContact O-OG1 3.43Å
148V91.3Very high87.9Confident7 Ų761.3 Ų61.34%0.04235%0.346CS..Hα-helixtrans-60.7-48.7175.6169.20000110.8F106 D109 V110 S144 W145 G150 T151 L152F106-V148 HydrophobicContact CE2-CB 4.47Å; F106-V148 HydrophobicContact CE2-CG1 4.12Å; F106-V148 HydrophobicContact CE2-CG2 4.45Å; F106-V148 HydrophobicContact CZ-CG1 4.01Å; D109-V148 HydrophobicContact CB-CG2 4.32Å; V110-V148 HydrophobicContact CG2-CG1 3.98Å; V110-V148 HydrophobicContact CG2-CG2 4.18Å; S144-V148 WeakPolarHBondContact O-CG2 3.48Å; S144-V148 PolarHBondContact O-N 3.43Å; W145-V148 HydrophobicContact CE3-CB 4.5Å; W145-V148 HydrophobicContact CE3-CG1 4.38Å; W145-V148 HydrophobicContact CZ3-CG1 4.41Å; W145-V148 PolarHBondContact O-N 3Å; V148-G150 PolarHBondContact O-N 3.1Å; V148-T151 PolarHBondContact O-N 3.2Å; V148-L152 HydrophobicContact CG1-CD1 4.14Å; V148-L152 WeakPolarHBondContact O-CG 3.27Å; V148-L152 PolarHBondContact O-N 2.94Å
149A90.8Very high87.3Confident56 Ų5661.7 Ų61.746%0.46335%0.347SS..Hα-helixtrans-61.5-44.9178.800000112W145 L146 T151 L152 L153W145-A149 WeakPolarHBondContact O-CB 3.15Å; W145-A149 PolarHBondContact O-N 2.89Å; L146-A149 PolarHBondContact O-N 2.85Å; A149-T151 VanDerWaalsContact C-N 3.34Å; A149-T151 PolarHBondContact O-N 3.07Å; A149-L152 PolarHBondContact O-N 2.99Å; A149-L153 WeakPolarHBondContact O-CB 3.31Å; A149-L153 PolarHBondContact O-N 3.18Å
150G88.2Confident86.6Confident43 Ų4359.5 Ų59.544%0.44333%0.333SS..Hα-helixtrans-61.6-40.1176.400000112.9L146 V147 V148 L153 G154L146-G150 PolarHBondContact O-N 3.39Å; V147-G150 PolarHBondContact O-N 3.3Å; V148-G150 PolarHBondContact O-N 3.1Å; G150-L153 PolarHBondContact O-N 3.04Å; G150-G154 PolarHBondContact O-N 3.4Å
151T87.4Confident85.7Confident42 Ų4262 Ų6226%0.25835%0.349SS..Hα-helixtrans-66.2-43.2177.6-53.50000111.5F106 V147 V148 A149 L153 G154 V155F106-T151 HydrophobicContact CD2-CG2 3.86Å; F106-T151 HydrophobicContact CE2-CG2 3.87Å; V147-T151 WeakPolarHBondContact O-CB 3.37Å; V147-T151 PolarHBondContact O-N 3.2Å; V147-T151 PolarHBondContact O-OG1 3.43Å; V148-T151 PolarHBondContact O-N 3.2Å; A149-T151 VanDerWaalsContact C-N 3.34Å; A149-T151 PolarHBondContact O-N 3.07Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.29Å; T151-G154 PolarHBondContact O-N 3.29Å; T151-V155 WeakPolarHBondContact O-CG2 3.48Å; T151-V155 PolarHBondContact O-N 3Å
152L89.2Confident84.6Confident95 Ų9562.3 Ų62.350%0.49735%0.35SS..Hα-helixtrans-63.1-40.9176.2-71.3171.9000112F106 V148 A149 G154 V155 W156F106-L152 HydrophobicContact CE1-CD2 4.03Å; F106-L152 HydrophobicContact CZ-CD1 4.38Å; F106-L152 HydrophobicContact CZ-CD2 3.68Å; F106-L152 HydrophobicContact CZ-CG 3.78Å; V148-L152 HydrophobicContact CG1-CD1 4.14Å; V148-L152 WeakPolarHBondContact O-CG 3.27Å; V148-L152 PolarHBondContact O-N 2.94Å; A149-L152 PolarHBondContact O-N 2.99Å; L152-G154 VanDerWaalsContact C-N 3.34Å; L152-V155 PolarHBondContact O-N 3.46Å; L152-W156 WeakPolarHBondContact O-CB 3.32Å; L152-W156 PolarHBondContact O-N 3.39Å
153L84.4Confident83.5Confident102 Ų10258.4 Ų58.453%0.53433%0.327SS..Hα-helixtrans-61.5-44.3174.1-177.765.4000111.1A149 G150 T151 W156 L157A149-L153 WeakPolarHBondContact O-CB 3.31Å; A149-L153 PolarHBondContact O-N 3.18Å; G150-L153 PolarHBondContact O-N 3.04Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.29Å; L153-W156 HydrophobicContact CD1-CE3 4.07Å; L153-W156 HydrophobicContact CD1-CZ3 4.49Å; L153-W156 WeakPolarHBondContact O-CB 3.41Å; L153-W156 PolarHBondContact O-N 2.78Å; L153-L157 HydrophobicContact CG-CD1 4.41Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.04Å
154G83.1Confident82.7Confident29 Ų2966.5 Ų66.530%0.29935%0.353SS..Hα-helixtrans-58.3-49.4175.600000112.6G150 T151 L152 W156 L157 I158G150-G154 PolarHBondContact O-N 3.4Å; T151-G154 PolarHBondContact O-N 3.29Å; L152-G154 VanDerWaalsContact C-N 3.34Å; G154-W156 VanDerWaalsContact C-N 3.29Å; G154-W156 PolarHBondContact O-N 3.45Å; G154-L157 PolarHBondContact O-N 3.28Å; G154-I158 WeakPolarHBondContact O-CG1 3.2Å; G154-I158 PolarHBondContact O-N 3.28Å
155V85.2Confident81.5Confident67 Ų6767.6 Ų67.641%0.40636%0.357SS..Hα-helixtrans-59.4-40.9176.6171.30000111.4W11 T151 L152 I158 F159W11-V155 HydrophobicContact CH2-CG1 4.11Å; W11-V155 HydrophobicContact CZ3-CG1 4.09Å; T151-V155 WeakPolarHBondContact O-CG2 3.48Å; T151-V155 PolarHBondContact O-N 3Å; L152-V155 PolarHBondContact O-N 3.46Å; V155-I158 WeakPolarHBondContact O-CG1 3.34Å; V155-I158 PolarHBondContact O-N 3.47Å; V155-F159 WeakPolarHBondContact O-CB 3.37Å; V155-F159 PolarHBondContact O-N 3.03Å; V155-F159 VanDerWaalsContact O-N 3.12Å
156W80.6Confident80.1Confident129 Ų12967.4 Ų67.449%0.48936%0.361SS..Hα-helixtrans-63.1-41.4177.5177.183.8000112.5L152 L153 G154 F159 R186L152-W156 WeakPolarHBondContact O-CB 3.32Å; L152-W156 PolarHBondContact O-N 3.39Å; L153-W156 HydrophobicContact CD1-CE3 4.07Å; L153-W156 HydrophobicContact CD1-CZ3 4.49Å; L153-W156 WeakPolarHBondContact O-CB 3.41Å; L153-W156 PolarHBondContact O-N 2.78Å; G154-W156 VanDerWaalsContact C-N 3.29Å; G154-W156 PolarHBondContact O-N 3.45Å; W156-F159 PolarHBondContact O-N 3.01Å; W156-R186 HydrophobicContact CZ2-CB 4.48Å
157L75.1Confident78.7Confident109 Ų10964.6 Ų64.657%0.57134%0.344SS*.Hα-helixtrans-65.1-39.9179.2-72.2170.9000112.7L153 G154L153-L157 HydrophobicContact CG-CD1 4.41Å; L153-L157 WeakPolarHBondContact O-CG 3.39Å; L153-L157 PolarHBondContact O-N 3.04Å; G154-L157 PolarHBondContact O-N 3.28Å
158I78.8Confident77.5Confident51 Ų5169.4 Ų69.426%0.26237%0.368SS..Hα-helixtrans-86.4-8.2-177.764.5176.4000113.7W11 A12 V13 G154 V155 D160W11-I158 HydrophobicContact CE3-CD1 4.18Å; W11-I158 HydrophobicContact CE3-CG1 3.9Å; W11-I158 HydrophobicContact CZ3-CD1 4.33Å; W11-I158 HydrophobicContact CZ3-CG1 4.01Å; A12-I158 PolarHBondContact N-O 3.38Å; A12-I158 VanDerWaalsContact N-O 3.13Å; V13-I158 HydrophobicContact CB-CB 4.37Å; V13-I158 HydrophobicContact CB-CG2 4.38Å; V13-I158 HydrophobicContact CG1-CD1 4.28Å; G154-I158 WeakPolarHBondContact O-CG1 3.2Å; G154-I158 PolarHBondContact O-N 3.28Å; V155-I158 WeakPolarHBondContact O-CG1 3.34Å; V155-I158 PolarHBondContact O-N 3.47Å; I158-D160 PolarHBondContact O-N 2.73Å
159F78.7Confident76.3Confident80 Ų8071 Ų7135%0.35138%0.377SS..  trans-67.7125.6-176.4-175.4-99.3000111.5W11 V155 W156 P161 R183W11-F159 HydrophobicContact CE3-CD2 4.41Å; W11-F159 AromaticContact CH2-CD2 3.79Å; W11-F159 HydrophobicContact CH2-CD2 3.79Å; W11-F159 HydrophobicContact CH2-CE2 4.48Å; W11-F159 HydrophobicContact CZ2-CD2 4.35Å; W11-F159 HydrophobicContact CZ3-CB 4.15Å; W11-F159 AromaticContact CZ3-CD2 3.82Å; W11-F159 HydrophobicContact CZ3-CD2 3.82Å; W11-F159 HydrophobicContact CZ3-CG 4.49Å; V155-F159 WeakPolarHBondContact O-CB 3.37Å; V155-F159 PolarHBondContact O-N 3.03Å; V155-F159 VanDerWaalsContact O-N 3.12Å; W156-F159 PolarHBondContact O-N 3.01Å; F159-P161 HydrophobicContact CE1-CB 4.13Å; F159-P161 WeakPolarHBondContact O-CD 3.35Å; F159-R183 PolarHBondContact O-NH2 2.82Å
160D75.6Confident75.3Confident19 Ų1974.5 Ų74.510%0.10239%0.386CS..  trans-101.8108.2173.2-175.11.3000110.8R9 A12 I158 L162 G163R9-D160 PolarHBondContact NH2-O 3.32Å; A12-D160 HydrophobicContact CB-CB 4.38Å; I158-D160 PolarHBondContact O-N 2.73Å; D160-L162 PolarHBondContact O-N 3.23Å; D160-L162 PolarHBondContact OD1-N 3.05Å; D160-G163 PolarHBondContact O-N 3.03Å
161P71.7Confident74.4Confident52 Ų5279.3 Ų79.334%0.33839%0.391SS..THydrogen-bonded Turntrans-64.9-25.217827-33000112.8R9 F159 V179R9-P161 PolarHBondContact NH2-O 3.37Å; F159-P161 HydrophobicContact CE1-CB 4.13Å; F159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-V179 HydrophobicContact CG-CB 4.28Å; P161-V179 HydrophobicContact CG-CG1 3.4Å; P161-V179 HydrophobicContact CG-CG2 3.89Å
162L69.4Low73.5Confident20 Ų2077.9 Ų77.911%0.10538%0.382CS..THydrogen-bonded Turntrans-91.5-1.6178.1-56.4175.5000113.7D160 R164 L165 M172 M175 A176 V179D160-L162 PolarHBondContact O-N 3.23Å; D160-L162 PolarHBondContact OD1-N 3.05Å; L162-R164 PolarHBondContact O-N 2.7Å; L162-L165 HydrophobicContact CD2-CD1 4.28Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-M172 HydrophobicContact CB-CE 3.67Å; L162-M172 HydrophobicContact CB-SD 3.43Å; L162-M172 WeakPolarHBondContact CB-SD 3.43Å; L162-M172 HydrophobicContact CD1-SD 3.75Å; L162-M172 HydrophobicContact CG-SD 4.14Å; L162-M172 WeakPolarHBondContact O-CE 3.35Å; L162-M175 HydrophobicContact CD1-CB 4.2Å; L162-M175 HydrophobicContact CD2-CB 3.8Å; L162-M175 HydrophobicContact CD2-SD 4.3Å; L162-A176 HydrophobicContact CD1-CB 4.21Å; L162-V179 HydrophobicContact CD1-CB 4.02Å; L162-V179 HydrophobicContact CD1-CG2 3.7Å; L162-V179 HydrophobicContact CD2-CG2 3.76Å; L162-V179 HydrophobicContact CG-CB 4.3Å; L162-V179 HydrophobicContact CG-CG2 3.6Å
163G69.3Low72.4Confident5 Ų575.4 Ų75.45%0.05238%0.375CS..THydrogen-bonded Turntrans-59.3-3.8-174.300000116.6R9 R10 D160R9-G163 CarbonylContact C-O 3.54Å; R9-G163 WeakPolarHBondContact CA-O 3.13Å; R10-G163 WeakPolarHBondContact CB-O 3.48Å; R10-G163 PolarHBondContact N-O 3.37Å; R10-G163 WeakPolarHBondContact O-CA 2.99Å; D160-G163 PolarHBondContact O-N 3.03Å
164R72.1Confident71.8Confident191 Ų19176.5 Ų76.572%0.72138%0.381SS*.THydrogen-bonded Turntrans-82.2-22.9170.4-73.1-174.2175.5-174.52.1113.6R9 L162R9-R164 HydrophobicContact CG-CG 3.72Å; L162-R164 PolarHBondContact O-N 2.7Å
165L66Low71.5Confident43 Ų4379 Ų7923%0.22539%0.386CS..SBendtrans-87.9146.5-177.7-60.5169.3000109.8L162 R171 M172 M175L162-L165 HydrophobicContact CD2-CD1 4.28Å; L162-L165 PolarHBondContact O-N 3.31Å; L165-R171 HydrophobicContact CD1-CB 4.3Å; L165-M172 HydrophobicContact CB-CE 4Å; L165-M172 HydrophobicContact CB-CG 3.63Å; L165-M172 HydrophobicContact CB-SD 4.1Å; L165-M172 HydrophobicContact CD1-CG 4.29Å; L165-M172 HydrophobicContact CD1-SD 4.43Å; L165-M172 WeakPolarHBondContact O-CE 3.32Å; L165-M175 HydrophobicContact CD1-SD 4.14Å
166H65.6Low70.9Confident105 Ų10576.6 Ų76.649%0.48637%0.373SS..  trans-75.4150.6169.9-114.565.6000110R5 D168 D169 M172R5-H166 PolarHBondContact NH2-CE1 3Å; H166-D168 PolarHBondContact O-N 2.8Å; H166-D169 WeakPolarHBondContact O-CB 3.32Å; H166-D169 PolarHBondContact O-N 3.09Å; H166-M172 VanDerWaalsContact O-CG 3.25Å; H166-M172 WeakPolarHBondContact O-CG 3.04Å
167H62Low70.7Confident63 Ų6372.3 Ų72.329%0.29236%0.362SS..THydrogen-bonded Turntrans-57.1-33.9177.8-102.9-40000112.4R10 D169 E213 A215R10-H167 PolarHBondContact NH1-CD2 3.24Å; R10-H167 PolarHBondContact NH1-CE1 3.33Å; R10-H167 PolarHBondContact NH1-ND1 3.46Å; R10-H167 VanDerWaalsContact NH1-ND1 3.19Å; R10-H167 PolarHBondContact NH1-NE2 3.21Å; R10-H167 PolarHBondContact NH2-NE2 3.29Å; R10-H167 VanDerWaalsContact NH2-NE2 3.17Å; H167-D169 VanDerWaalsContact C-N 3.28Å; H167-D169 PolarHBondContact O-N 2.74Å; H167-E213 PolarHBondContact CE1-O 3.42Å; H167-A215 PolarHBondContact NE2-O 3.29Å
168D62.3Low70.9Confident149 Ų14970.2 Ų70.280%0.79736%0.356SS*.THydrogen-bonded Turntrans-79.5-5178.6-50.1-34.5000113.8H166 I170H166-D168 PolarHBondContact O-N 2.8Å; D168-I170 PolarHBondContact O-N 2.7Å
169D66.4Low70.8Confident41 Ų4168.6 Ų68.622%0.21935%0.349CS..  trans-73121.9177.5-165.9-33.9000108.7H166 H167 R171 M172H166-D169 WeakPolarHBondContact O-CB 3.32Å; H166-D169 PolarHBondContact O-N 3.09Å; H167-D169 VanDerWaalsContact C-N 3.28Å; H167-D169 PolarHBondContact O-N 2.74Å; D169-R171 PolarHBondContact O-N 3.05Å; D169-R171 VanDerWaalsContact OD1-CB 3.3Å; D169-R171 WeakPolarHBondContact OD1-CB 3.15Å; D169-R171 WeakPolarHBondContact OD1-CG 3.4Å; D169-R171 PolarHBondContact OD1-N 3.1Å; D169-R171 IonicContact OD1-NE 3.22Å; D169-R171 PolarHBondContact OD1-NE 3.42Å; D169-R171 IonicContact OD2-CZ 3.58Å; D169-R171 IonicContact OD2-NE 3.25Å; D169-R171 PolarHBondContact OD2-NE 3Å; D169-R171 IonicContact OD2-NH2 3.06Å; D169-R171 PolarHBondContact OD2-NH2 2.97Å; D169-M172 WeakPolarHBondContact O-CA 3.44Å; D169-M172 VanDerWaalsContact O-CB 3.27Å; D169-M172 WeakPolarHBondContact O-CB 3.44Å; D169-M172 PolarHBondContact O-N 3.37Å
170I70.1Confident70.8Confident129 Ų12967.2 Ų67.266%0.66234%0.341SS*.Hα-helixtrans-52.1-28.7176.6-64.7168000111.4D168 M172 A173 N174D168-I170 PolarHBondContact O-N 2.7Å; I170-M172 VanDerWaalsContact C-N 3.28Å; I170-M172 PolarHBondContact O-N 3.1Å; I170-A173 PolarHBondContact O-N 3.21Å; I170-N174 PolarHBondContact O-N 3.34Å
171R69.8Low71Confident144 Ų14468.5 Ų68.554%0.54335%0.346SS..Hα-helixtrans-63.2-31174.4-68.5-179.9-79.1-164.7-4.5113.1L165 D169 M175L165-R171 HydrophobicContact CD1-CB 4.3Å; D169-R171 PolarHBondContact O-N 3.05Å; D169-R171 VanDerWaalsContact OD1-CB 3.3Å; D169-R171 WeakPolarHBondContact OD1-CB 3.15Å; D169-R171 WeakPolarHBondContact OD1-CG 3.4Å; D169-R171 PolarHBondContact OD1-N 3.1Å; D169-R171 IonicContact OD1-NE 3.22Å; D169-R171 PolarHBondContact OD1-NE 3.42Å; D169-R171 IonicContact OD2-CZ 3.58Å; D169-R171 IonicContact OD2-NE 3.25Å; D169-R171 PolarHBondContact OD2-NE 3Å; D169-R171 IonicContact OD2-NH2 3.06Å; D169-R171 PolarHBondContact OD2-NH2 2.97Å; R171-M175 HydrophobicContact CB-CE 4.33Å; R171-M175 WeakPolarHBondContact O-CB 3.35Å; R171-M175 WeakPolarHBondContact O-CG 3.23Å; R171-M175 PolarHBondContact O-N 2.9Å
172M68.4Low71.3Confident13 Ų1367.5 Ų67.56%0.06434%0.342CS..Hα-helixtrans-61.2-53.2172.8-90.9-70.4-150.600110.9L162 L165 H166 D169 I170 N174 M175 A176L162-M172 HydrophobicContact CB-CE 3.67Å; L162-M172 HydrophobicContact CB-SD 3.43Å; L162-M172 WeakPolarHBondContact CB-SD 3.43Å; L162-M172 HydrophobicContact CD1-SD 3.75Å; L162-M172 HydrophobicContact CG-SD 4.14Å; L162-M172 WeakPolarHBondContact O-CE 3.35Å; L165-M172 HydrophobicContact CB-CE 4Å; L165-M172 HydrophobicContact CB-CG 3.63Å; L165-M172 HydrophobicContact CB-SD 4.1Å; L165-M172 HydrophobicContact CD1-CG 4.29Å; L165-M172 HydrophobicContact CD1-SD 4.43Å; L165-M172 WeakPolarHBondContact O-CE 3.32Å; H166-M172 VanDerWaalsContact O-CG 3.25Å; H166-M172 WeakPolarHBondContact O-CG 3.04Å; D169-M172 WeakPolarHBondContact O-CA 3.44Å; D169-M172 VanDerWaalsContact O-CB 3.27Å; D169-M172 WeakPolarHBondContact O-CB 3.44Å; D169-M172 PolarHBondContact O-N 3.37Å; I170-M172 VanDerWaalsContact C-N 3.28Å; I170-M172 PolarHBondContact O-N 3.1Å; M172-N174 VanDerWaalsContact C-N 3.25Å; M172-N174 PolarHBondContact O-N 3.39Å; M172-M175 PolarHBondContact O-N 3.45Å; M172-M175 VanDerWaalsContact O-N 3.11Å; M172-A176 WeakPolarHBondContact O-CB 3.22Å; M172-A176 PolarHBondContact O-N 3.49Å
173A66.9Low71.7Confident43 Ų4369.3 Ų69.336%0.35535%0.347SS..Hα-helixtrans-56.6-41.8-179.800000111.6I170 P177I170-A173 PolarHBondContact O-N 3.21Å; A173-P177 VanDerWaalsContact O-CD 3.25Å; A173-P177 WeakPolarHBondContact O-CD 3.49Å
174N71.1Confident72Confident124 Ų12470.2 Ų70.266%0.66335%0.351SS*.Hα-helixtrans-72.8-32.2178.7-69.4-23.2000113.8I170 M172I170-N174 PolarHBondContact O-N 3.34Å; M172-N174 VanDerWaalsContact C-N 3.25Å; M172-N174 PolarHBondContact O-N 3.39Å
175M75.8Confident72.3Confident82 Ų8263.7 Ų63.740%0.40433%0.328SS..Hα-helixtrans-94.1-22.6-175.8-67.1179.4-175.700113.5L162 L165 R171 M172 S178 V179L162-M175 HydrophobicContact CD1-CB 4.2Å; L162-M175 HydrophobicContact CD2-CB 3.8Å; L162-M175 HydrophobicContact CD2-SD 4.3Å; L165-M175 HydrophobicContact CD1-SD 4.14Å; R171-M175 HydrophobicContact CB-CE 4.33Å; R171-M175 WeakPolarHBondContact O-CB 3.35Å; R171-M175 WeakPolarHBondContact O-CG 3.23Å; R171-M175 PolarHBondContact O-N 2.9Å; M172-M175 PolarHBondContact O-N 3.45Å; M172-M175 VanDerWaalsContact O-N 3.11Å; M175-S178 WeakPolarHBondContact O-CB 3.2Å; M175-S178 PolarHBondContact O-N 3.23Å; M175-S178 PolarHBondContact O-OG 2.9Å; M175-V179 PolarHBondContact O-N 2.84Å; M175-V179 VanDerWaalsContact O-N 3.11Å
176A74.1Confident72.8Confident17 Ų1767.8 Ų67.814%0.1434%0.341CS..Hα-helixtrans-57.1-43.7-177.100000113.3L162 M172 S178 V179 W180 T209L162-A176 HydrophobicContact CD1-CB 4.21Å; M172-A176 WeakPolarHBondContact O-CB 3.22Å; M172-A176 PolarHBondContact O-N 3.49Å; A176-S178 VanDerWaalsContact C-N 3.29Å; A176-S178 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 3.42Å; A176-V179 VanDerWaalsContact O-N 3.14Å; A176-W180 PolarHBondContact O-N 3.23Å; A176-T209 HydrophobicContact CB-CG2 3.55Å
177P75.4Confident73.1Confident39 Ų3966.4 Ų66.425%0.25335%0.347SS..Hα-helixtrans-59.4-40.6174.2-23.534.1000112.2A173 V179 W180 K181 T209A173-P177 VanDerWaalsContact O-CD 3.25Å; A173-P177 WeakPolarHBondContact O-CD 3.49Å; P177-V179 VanDerWaalsContact C-N 3.28Å; P177-V179 PolarHBondContact O-N 3.16Å; P177-W180 PolarHBondContact O-N 2.92Å; P177-K181 WeakPolarHBondContact O-CB 3.41Å; P177-K181 PolarHBondContact O-N 3.2Å; P177-T209 VanDerWaalsContact CA-OG1 3.27Å; P177-T209 WeakPolarHBondContact CA-OG1 3.34Å; P177-T209 HydrophobicContact CG-CG2 4.08Å
178S78.6Confident73.5Confident64 Ų6464.4 Ų64.445%0.44834%0.339SS..Hα-helixtrans-64.7-32.8179.378.60000112.7M175 A176 A182M175-S178 WeakPolarHBondContact O-CB 3.2Å; M175-S178 PolarHBondContact O-N 3.23Å; M175-S178 PolarHBondContact O-OG 2.9Å; A176-S178 VanDerWaalsContact C-N 3.29Å; A176-S178 PolarHBondContact O-N 3.09Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 2.78Å
179V78.2Confident74Confident18 Ų1861.3 Ų61.311%0.10933%0.328CS..Hα-helixtrans-76-43.5177.9166.80000111.8P161 L162 M175 A176 P177 K181 A182 R183P161-V179 HydrophobicContact CG-CB 4.28Å; P161-V179 HydrophobicContact CG-CG1 3.4Å; P161-V179 HydrophobicContact CG-CG2 3.89Å; L162-V179 HydrophobicContact CD1-CB 4.02Å; L162-V179 HydrophobicContact CD1-CG2 3.7Å; L162-V179 HydrophobicContact CD2-CG2 3.76Å; L162-V179 HydrophobicContact CG-CB 4.3Å; L162-V179 HydrophobicContact CG-CG2 3.6Å; M175-V179 PolarHBondContact O-N 2.84Å; M175-V179 VanDerWaalsContact O-N 3.11Å; A176-V179 PolarHBondContact O-N 3.42Å; A176-V179 VanDerWaalsContact O-N 3.14Å; P177-V179 VanDerWaalsContact C-N 3.28Å; P177-V179 PolarHBondContact O-N 3.16Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 2.95Å; V179-A182 PolarHBondContact O-N 3.21Å; V179-R183 WeakPolarHBondContact O-CG 3.26Å; V179-R183 PolarHBondContact O-N 2.76Å
180W77.5Confident74.1Confident50 Ų5064.7 Ų64.719%0.18935%0.354CS..Hα-helixtrans-62.1-40.6171.9-82113.2000111.6A176 P177 A182 R183 L184 A205 F208 T209 F212A176-W180 PolarHBondContact O-N 3.23Å; P177-W180 PolarHBondContact O-N 2.92Å; W180-A182 PolarHBondContact O-N 3.4Å; W180-R183 PolarHBondContact O-N 3.35Å; W180-L184 WeakPolarHBondContact O-CB 3.34Å; W180-L184 WeakPolarHBondContact O-CG 3.34Å; W180-L184 PolarHBondContact O-N 2.82Å; W180-A205 HydrophobicContact CB-CB 3.76Å; W180-F208 HydrophobicContact CB-CB 4.39Å; W180-F208 HydrophobicContact CD2-CB 3.75Å; W180-F208 HydrophobicContact CD2-CG 4.44Å; W180-F208 HydrophobicContact CE3-CB 3.98Å; W180-F208 HydrophobicContact CE3-CD1 4.22Å; W180-F208 HydrophobicContact CE3-CG 4.17Å; W180-F208 HydrophobicContact CG-CB 3.94Å; W180-F208 HydrophobicContact CH2-CD1 4.25Å; W180-F208 AromaticContact CZ3-CD1 4Å; W180-F208 HydrophobicContact CZ3-CD1 4Å; W180-F208 HydrophobicContact CZ3-CG 4.41Å; W180-T209 VanDerWaalsContact CD1-OG1 3.31Å; W180-F212 HydrophobicContact CH2-CD2 4.07Å; W180-F212 AromaticContact CH2-CE2 3.98Å; W180-F212 HydrophobicContact CH2-CE2 3.98Å; W180-F212 HydrophobicContact CZ2-CB 4.43Å; W180-F212 AromaticContact CZ2-CD2 3.43Å; W180-F212 HydrophobicContact CZ2-CD2 3.43Å; W180-F212 VanDerWaalsContact CZ2-CD2 3.43Å; W180-F212 AromaticContact CZ2-CE2 3.83Å; W180-F212 HydrophobicContact CZ2-CE2 3.83Å; W180-F212 AromaticContact CZ2-CG 3.95Å; W180-F212 HydrophobicContact CZ2-CG 3.95Å
181K80.3Confident73.8Confident47 Ų4762.6 Ų62.620%0.20434%0.34CS..Hα-helixtrans-56.9-49171.5178.4173.6179.2168.10111.1P177 V179 R183 L184 Q185 I201 E202 A205P177-K181 WeakPolarHBondContact O-CB 3.41Å; P177-K181 PolarHBondContact O-N 3.2Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 2.95Å; K181-R183 VanDerWaalsContact C-N 3.32Å; K181-R183 PolarHBondContact O-N 3.04Å; K181-L184 PolarHBondContact O-N 2.97Å; K181-Q185 HydrophobicContact CG-CG 4.38Å; K181-Q185 VanDerWaalsContact O-CB 3.24Å; K181-Q185 WeakPolarHBondContact O-CB 3.44Å; K181-Q185 VanDerWaalsContact O-CG 3.24Å; K181-Q185 WeakPolarHBondContact O-CG 3.48Å; K181-Q185 PolarHBondContact O-N 3.41Å; K181-I201 HydrophobicContact CG-CG2 4.29Å; K181-E202 HydrophobicContact CD-CB 4.19Å; K181-E202 HydrophobicContact CD-CG 4.34Å; K181-E202 IonicContact NZ-OE1 3.53Å; K181-E202 PolarHBondContact NZ-OE1 3.29Å; K181-E202 IonicContact NZ-OE2 3.79Å; K181-E202 PolarHBondContact NZ-OE2 2.78Å; K181-A205 HydrophobicContact CB-CB 3.99Å
182A78.5Confident73.3Confident30 Ų3056.9 Ų56.925%0.24832%0.322CS..Hα-helixtrans-65.3-32.8178.700000113.4S178 V179 W180 R186S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 2.78Å; V179-A182 PolarHBondContact O-N 3.21Å; W180-A182 PolarHBondContact O-N 3.4Å; A182-R186 WeakPolarHBondContact O-CB 3.49Å; A182-R186 PolarHBondContact O-N 3.36Å; A182-R186 VanDerWaalsContact O-N 3.16Å; A182-R186 PolarHBondContact O-NE 3.25Å
183R76.7Confident73.2Confident59 Ų5961.5 Ų61.522%0.22336%0.355CS..Hα-helixtrans-69-51.1174.1-77.2177.4171.6175.5-1.2111F159 V179 W180 K181 R186 A187F159-R183 PolarHBondContact O-NH2 2.82Å; V179-R183 WeakPolarHBondContact O-CG 3.26Å; V179-R183 PolarHBondContact O-N 2.76Å; W180-R183 PolarHBondContact O-N 3.35Å; K181-R183 VanDerWaalsContact C-N 3.32Å; K181-R183 PolarHBondContact O-N 3.04Å; R183-R186 PolarHBondContact O-N 3.39Å; R183-A187 VanDerWaalsContact O-CB 3.31Å; R183-A187 WeakPolarHBondContact O-CB 3.23Å; R183-A187 PolarHBondContact O-N 2.95Å
184L75.3Confident73.7Confident23 Ų2361 Ų6112%0.1235%0.35CS..Hα-helixtrans-62.7-43.4178.2-71.4172.7000111.3W180 K181 R186 A187 L188 I201 A204 A205 F208W180-L184 WeakPolarHBondContact O-CB 3.34Å; W180-L184 WeakPolarHBondContact O-CG 3.34Å; W180-L184 PolarHBondContact O-N 2.82Å; K181-L184 PolarHBondContact O-N 2.97Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.16Å; L184-A187 PolarHBondContact O-N 3.21Å; L184-L188 WeakPolarHBondContact O-CB 3.28Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.5Å; L184-L188 PolarHBondContact O-N 3.15Å; L184-I201 HydrophobicContact CB-CG2 3.51Å; L184-I201 HydrophobicContact CD1-CG2 4.21Å; L184-A204 HydrophobicContact CD1-CB 4.07Å; L184-A205 HydrophobicContact CD1-CB 4.1Å; L184-F208 HydrophobicContact CD1-CD2 4.01Å; L184-F208 HydrophobicContact CD1-CE2 4.36Å; L184-F208 HydrophobicContact CD2-CD2 4.48Å; L184-F208 HydrophobicContact CD2-CE2 4.16Å
185Q80.3Confident74.1Confident54 Ų5460.3 Ų60.325%0.25235%0.346SS..Hα-helixtrans-61-38.8175.4-77.9-179.5-2500112.5K181 L188 C189 I201K181-Q185 HydrophobicContact CG-CG 4.38Å; K181-Q185 VanDerWaalsContact O-CB 3.24Å; K181-Q185 WeakPolarHBondContact O-CB 3.44Å; K181-Q185 VanDerWaalsContact O-CG 3.24Å; K181-Q185 WeakPolarHBondContact O-CG 3.48Å; K181-Q185 PolarHBondContact O-N 3.41Å; Q185-L188 CarbonylContact O-C 3.38Å; Q185-L188 VanDerWaalsContact O-C 3.29Å; Q185-C189 WeakPolarHBondContact O-CA 3.38Å; Q185-C189 PolarHBondContact O-N 3.38Å; Q185-I201 HydrophobicContact CG-CD1 3.94Å; Q185-I201 HydrophobicContact CG-CG2 3.86Å
186R76.1Confident74.1Confident130 Ų13061.3 Ų61.349%0.49135%0.345SS..Hα-helixtrans-75-41.1176.1-87.7179.5-82.8159.7-13.3112.9W156 A182 R183 L184 L188 C189W156-R186 HydrophobicContact CZ2-CB 4.48Å; A182-R186 WeakPolarHBondContact O-CB 3.49Å; A182-R186 PolarHBondContact O-N 3.36Å; A182-R186 VanDerWaalsContact O-N 3.16Å; A182-R186 PolarHBondContact O-NE 3.25Å; R183-R186 PolarHBondContact O-N 3.39Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.16Å; R186-L188 PolarHBondContact O-N 3.45Å; R186-C189 VanDerWaalsContact O-CB 3.25Å; R186-C189 WeakPolarHBondContact O-CB 3.25Å; R186-C189 PolarHBondContact O-N 3.01Å; R186-C189 PolarHBondContact O-SG 3.23Å
187A70.9Confident74.2Confident75 Ų7560.6 Ų60.662%0.6234%0.339SS*.Hα-helixtrans-62.5-32175.100000111.5R183 L184R183-A187 VanDerWaalsContact O-CB 3.31Å; R183-A187 WeakPolarHBondContact O-CB 3.23Å; R183-A187 PolarHBondContact O-N 2.95Å; L184-A187 PolarHBondContact O-N 3.21Å
188L71.7Confident74.4Confident21 Ų2162.6 Ų62.611%0.1134%0.344CS..THydrogen-bonded Turntrans-10829178.6-55.1172000111.5L184 Q185 R186 C190 F191 S192 I201 L365 L369L184-L188 WeakPolarHBondContact O-CB 3.28Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.5Å; L184-L188 PolarHBondContact O-N 3.15Å; Q185-L188 CarbonylContact O-C 3.38Å; Q185-L188 VanDerWaalsContact O-C 3.29Å; R186-L188 PolarHBondContact O-N 3.45Å; L188-C190 PolarHBondContact O-N 3.18Å; L188-C190 VanDerWaalsContact O-N 3.1Å; L188-F191 HydrophobicContact CB-CB 4.49Å; L188-F191 HydrophobicContact CB-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CD2 4.44Å; L188-F191 WeakPolarHBondContact O-CA 3.43Å; L188-F191 PolarHBondContact O-N 2.9Å; L188-S192 PolarHBondContact O-N 2.75Å; L188-S192 VanDerWaalsContact O-N 3.11Å; L188-I201 HydrophobicContact CD1-CG1 4.4Å; L188-L365 HydrophobicContact CD2-CB 4.33Å; L188-L365 HydrophobicContact CD2-CD1 4.01Å; L188-L365 HydrophobicContact CD2-CD2 4.09Å; L188-L365 HydrophobicContact CD2-CG 4.38Å; L188-L369 HydrophobicContact CD1-CD1 3.88Å; L188-L369 HydrophobicContact CD1-CD2 4.12Å; L188-L369 HydrophobicContact CD1-CG 4.24Å
189C71.2Confident74.5Confident85 Ų8563.4 Ų63.457%0.57434%0.341SS*.THydrogen-bonded Turntrans-59.8-28.3-172.160.40000113.3Q185 R186 F191Q185-C189 WeakPolarHBondContact O-CA 3.38Å; Q185-C189 PolarHBondContact O-N 3.38Å; R186-C189 VanDerWaalsContact O-CB 3.25Å; R186-C189 WeakPolarHBondContact O-CB 3.25Å; R186-C189 PolarHBondContact O-N 3.01Å; R186-C189 PolarHBondContact O-SG 3.23Å; C189-F191 PolarHBondContact O-N 2.91Å
190C68.5Low74.4Confident111 Ų11162.5 Ų62.575%0.7534%0.336SS*.THydrogen-bonded Turntrans-75.3-7.3175.1-56.30000113.7L188L188-C190 PolarHBondContact O-N 3.18Å; L188-C190 VanDerWaalsContact O-N 3.1Å
191F64Low74.5Confident86 Ų8660.2 Ų60.238%0.37733%0.328SS..THydrogen-bonded Turntrans-124.1-12.4-173-56.4-79000113.6L188 C189 S193 S197 L365L188-F191 HydrophobicContact CB-CB 4.49Å; L188-F191 HydrophobicContact CB-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CD2 4.44Å; L188-F191 WeakPolarHBondContact O-CA 3.43Å; L188-F191 PolarHBondContact O-N 2.9Å; C189-F191 PolarHBondContact O-N 2.91Å; F191-S193 PolarHBondContact O-N 2.89Å; F191-S197 PolarHBondContact O-OG 3.34Å; F191-L365 HydrophobicContact CD2-CD1 4.2Å; F191-L365 HydrophobicContact CE2-CD1 3.68Å; F191-L365 HydrophobicContact CZ-CD1 4.04Å
192S60.8Low74.6Confident24 Ų2461.9 Ų61.917%0.16834%0.336CS..  trans-90.421-166.888.20000115.7L188L188-S192 PolarHBondContact O-N 2.75Å; L188-S192 VanDerWaalsContact O-N 3.11Å
193S66.3Low74.5Confident109 Ų10961 Ų6176%0.76233%0.327SS*.  trans-74.8-32.8-17161.30000113.8F191F191-S193 PolarHBondContact O-N 2.89Å
194S75.4Confident74.6Confident34 Ų3458.2 Ų58.224%0.23832%0.316CS..SBendtrans-85150.1-176.371.20000113.3R196 S197 K198S194-R196 PolarHBondContact O-N 2.8Å; S194-S197 WeakPolarHBondContact O-CA 3.21Å; S194-S197 VanDerWaalsContact O-CB 3.25Å; S194-S197 WeakPolarHBondContact O-CB 3.35Å; S194-S197 PolarHBondContact O-N 2.97Å; S194-S197 PolarHBondContact OG-N 3.08Å; S194-S197 PolarHBondContact OG-OG 2.92Å; S194-K198 PolarHBondContact O-N 3.08Å; S194-K198 VanDerWaalsContact O-N 3.14Å
195D80.2Confident74.8Confident109 Ų10957.1 Ų57.158%0.58331%0.31SS*.Hα-helixtrans-63.7-31.1179.2-68.5-31.2000112.9S197 K198 M199D195-S197 VanDerWaalsContact C-N 3.28Å; D195-S197 PolarHBondContact O-N 3.42Å; D195-K198 PolarHBondContact O-N 3.11Å; D195-K198 IonicContact OD1-NZ 3.14Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; D195-M199 PolarHBondContact O-N 3.21Å
196R76.6Confident74.7Confident103 Ų10357.5 Ų57.539%0.38931%0.312SS..Hα-helixtrans-60.8-39.5170.8-58.2-170.3-172.7-177.112.7111.7S194 M199 A200 I339 W340 E341S194-R196 PolarHBondContact O-N 2.8Å; R196-M199 PolarHBondContact O-N 3.47Å; R196-A200 PolarHBondContact O-N 3.31Å; R196-I339 HydrophobicContact CB-CB 4.23Å; R196-I339 HydrophobicContact CB-CG2 4.19Å; R196-W340 HydrophobicContact CB-CE3 4.14Å; R196-W340 HydrophobicContact CB-CH2 4.17Å; R196-W340 HydrophobicContact CB-CZ3 3.75Å; R196-W340 HydrophobicContact CG-CE3 4.08Å; R196-W340 HydrophobicContact CG-CH2 4.49Å; R196-W340 HydrophobicContact CG-CZ3 3.68Å; R196-E341 IonicContact CZ-OE1 2.69Å; R196-E341 VanDerWaalsContact CZ-OE1 3.24Å; R196-E341 IonicContact NH1-OE1 3.53Å; R196-E341 PolarHBondContact NH1-OE1 3.14Å; R196-E341 IonicContact NH2-OE1 2.84Å; R196-E341 PolarHBondContact NH2-OE1 3.14Å; R196-E341 VanDerWaalsContact NH2-OE1 3.13Å
197S75.1Confident74.7Confident2 Ų251.8 Ų51.81%0.01429%0.292CS..Hα-helixtrans-63.6-41174.4-50.60000112.7F191 S194 D195 M199 A200 I201 I339F191-S197 PolarHBondContact O-OG 3.34Å; S194-S197 WeakPolarHBondContact O-CA 3.21Å; S194-S197 VanDerWaalsContact O-CB 3.25Å; S194-S197 WeakPolarHBondContact O-CB 3.35Å; S194-S197 PolarHBondContact O-N 2.97Å; S194-S197 PolarHBondContact OG-N 3.08Å; S194-S197 PolarHBondContact OG-OG 2.92Å; D195-S197 VanDerWaalsContact C-N 3.28Å; D195-S197 PolarHBondContact O-N 3.42Å; S197-M199 VanDerWaalsContact C-N 3.35Å; S197-M199 PolarHBondContact O-N 2.91Å; S197-A200 PolarHBondContact O-N 3.28Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 WeakPolarHBondContact O-CD1 3.38Å; S197-I201 WeakPolarHBondContact O-CG1 3Å; S197-I201 PolarHBondContact O-N 3.21Å; S197-I339 WeakPolarHBondContact OG-CD1 3.36Å
198K80Confident75Confident80 Ų8050.9 Ų50.935%0.34827%0.274SS..Hα-helixtrans-63.7-42.1177-61.3174.5-165.1154.70111.5S194 D195 I201 E202S194-K198 PolarHBondContact O-N 3.08Å; S194-K198 VanDerWaalsContact O-N 3.14Å; D195-K198 PolarHBondContact O-N 3.11Å; D195-K198 IonicContact OD1-NZ 3.14Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; K198-I201 PolarHBondContact O-N 3.17Å; K198-E202 WeakPolarHBondContact O-CB 3.26Å; K198-E202 PolarHBondContact O-N 3.48Å
199M80.1Confident75.1Confident81 Ų8150.1 Ų50.140%0.39927%0.27SS..Hα-helixtrans-62.8-47.9175.5-88.8-171.9-94.100112.4D195 R196 S197 I201 E202 E203 W340D195-M199 PolarHBondContact O-N 3.21Å; R196-M199 PolarHBondContact O-N 3.47Å; S197-M199 VanDerWaalsContact C-N 3.35Å; S197-M199 PolarHBondContact O-N 2.91Å; M199-I201 VanDerWaalsContact C-N 3.33Å; M199-I201 PolarHBondContact O-N 3.08Å; M199-E202 WeakPolarHBondContact O-CB 3.45Å; M199-E202 PolarHBondContact O-N 2.96Å; M199-E203 PolarHBondContact O-N 3.14Å; M199-W340 HydrophobicContact CB-CH2 3.85Å; M199-W340 HydrophobicContact CB-CZ2 4.22Å; M199-W340 HydrophobicContact CE-CH2 4.28Å; M199-W340 HydrophobicContact SD-CH2 4.09Å
200A76.8Confident75.3Confident0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-64.3-38178.700000112.3R196 S197 E202 E203 A204 I339 W340 L369R196-A200 PolarHBondContact O-N 3.31Å; S197-A200 PolarHBondContact O-N 3.28Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 3.37Å; A200-E203 PolarHBondContact O-N 3.32Å; A200-A204 WeakPolarHBondContact O-CB 3.24Å; A200-A204 PolarHBondContact O-N 3.46Å; A200-I339 HydrophobicContact CB-CD1 4.19Å; A200-I339 HydrophobicContact CB-CG2 3.88Å; A200-W340 HydrophobicContact CB-CZ2 4.5Å; A200-L369 HydrophobicContact CB-CB 4.33Å
201I79.2Confident75.3Confident2 Ų243.5 Ų43.51%0.0122%0.221CC..Hα-helixtrans-65.1-36.8174.7-69.1165.8000111.4K181 L184 Q185 L188 S197 K198 M199 A205 L369K181-I201 HydrophobicContact CG-CG2 4.29Å; L184-I201 HydrophobicContact CB-CG2 3.51Å; L184-I201 HydrophobicContact CD1-CG2 4.21Å; Q185-I201 HydrophobicContact CG-CD1 3.94Å; Q185-I201 HydrophobicContact CG-CG2 3.86Å; L188-I201 HydrophobicContact CD1-CG1 4.4Å; S197-I201 WeakPolarHBondContact O-CB 3.43Å; S197-I201 WeakPolarHBondContact O-CD1 3.38Å; S197-I201 WeakPolarHBondContact O-CG1 3Å; S197-I201 PolarHBondContact O-N 3.21Å; K198-I201 PolarHBondContact O-N 3.17Å; M199-I201 VanDerWaalsContact C-N 3.33Å; M199-I201 PolarHBondContact O-N 3.08Å; I201-A205 WeakPolarHBondContact O-CB 3.36Å; I201-A205 PolarHBondContact O-N 3.33Å; I201-L369 HydrophobicContact CG1-CD1 3.75Å; I201-L369 HydrophobicContact CG1-CD2 4.39Å
202E82Confident75.5Confident82 Ų8241 Ų4138%0.38321%0.21SC..Hα-helixtrans-66.9-44.6176.5-177.5155-134.500112K181 K198 M199 A200 A205 E206K181-E202 HydrophobicContact CD-CB 4.19Å; K181-E202 HydrophobicContact CD-CG 4.34Å; K181-E202 IonicContact NZ-OE1 3.53Å; K181-E202 PolarHBondContact NZ-OE1 3.29Å; K181-E202 IonicContact NZ-OE2 3.79Å; K181-E202 PolarHBondContact NZ-OE2 2.78Å; K198-E202 WeakPolarHBondContact O-CB 3.26Å; K198-E202 PolarHBondContact O-N 3.48Å; M199-E202 WeakPolarHBondContact O-CB 3.45Å; M199-E202 PolarHBondContact O-N 2.96Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 3.37Å; E202-A205 WeakPolarHBondContact O-CB 3.43Å; E202-A205 PolarHBondContact O-N 3.49Å; E202-E206 PolarHBondContact O-N 3.48Å
203E78.1Confident75.8Confident11 Ų1142.8 Ų42.85%0.05122%0.216CC..Hα-helixtrans-63.1-42.9174.2-70.2-178.9-157.700111.8M199 A200 A205 E206 V207 C373 R400M199-E203 PolarHBondContact O-N 3.14Å; A200-E203 PolarHBondContact O-N 3.32Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.3Å; E203-E206 WeakPolarHBondContact O-CB 3.48Å; E203-E206 PolarHBondContact O-N 3.18Å; E203-V207 PolarHBondContact O-N 2.66Å; E203-C373 HydrophobicContact CB-CB 4.24Å; E203-C373 VanDerWaalsContact OE2-CB 3.23Å; E203-C373 WeakPolarHBondContact OE2-CB 3.48Å; E203-R400 IonicContact OE1-CZ 3.65Å; E203-R400 IonicContact OE1-NE 3.42Å; E203-R400 PolarHBondContact OE1-NE 3.17Å; E203-R400 IonicContact OE1-NH2 3.37Å; E203-R400 PolarHBondContact OE1-NH2 3.3Å
204A77.8Confident75.3Confident0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-62.5-40.6173.400000111.5L184 A200 E206 V207 F208 L369 L372L184-A204 HydrophobicContact CD1-CB 4.07Å; A200-A204 WeakPolarHBondContact O-CB 3.24Å; A200-A204 PolarHBondContact O-N 3.46Å; A204-E206 VanDerWaalsContact C-N 3.3Å; A204-E206 PolarHBondContact O-N 3.29Å; A204-V207 PolarHBondContact O-N 2.97Å; A204-V207 VanDerWaalsContact O-N 3.11Å; A204-F208 VanDerWaalsContact O-CD2 3.28Å; A204-F208 WeakPolarHBondContact O-CD2 3.21Å; A204-F208 PolarHBondContact O-N 3.25Å; A204-L369 HydrophobicContact CB-CD2 3.81Å; A204-L372 HydrophobicContact CB-CB 4.13Å
205A79Confident74.3Confident0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-62.9-34.2177.500000112.8W180 K181 L184 I201 E202 E203 T209W180-A205 HydrophobicContact CB-CB 3.76Å; K181-A205 HydrophobicContact CB-CB 3.99Å; L184-A205 HydrophobicContact CD1-CB 4.1Å; I201-A205 WeakPolarHBondContact O-CB 3.36Å; I201-A205 PolarHBondContact O-N 3.33Å; E202-A205 WeakPolarHBondContact O-CB 3.43Å; E202-A205 PolarHBondContact O-N 3.49Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.3Å; A205-T209 VanDerWaalsContact O-CB 3.3Å; A205-T209 WeakPolarHBondContact O-CB 3.48Å; A205-T209 PolarHBondContact O-N 3.06Å; A205-T209 PolarHBondContact O-OG1 2.59Å
206E79.4Confident73.7Confident63 Ų6337.2 Ų37.229%0.29418%0.177SC..Hα-helixtrans-61-44.2171.3-71.7178.7-175.900111E202 E203 A204 T209 F210 R375E202-E206 PolarHBondContact O-N 3.48Å; E203-E206 WeakPolarHBondContact O-CB 3.48Å; E203-E206 PolarHBondContact O-N 3.18Å; A204-E206 VanDerWaalsContact C-N 3.3Å; A204-E206 PolarHBondContact O-N 3.29Å; E206-T209 WeakPolarHBondContact O-CB 3.36Å; E206-T209 PolarHBondContact O-N 3.37Å; E206-F210 WeakPolarHBondContact O-CB 3.44Å; E206-F210 PolarHBondContact O-N 3.13Å; E206-R375 IonicContact OE1-NH1 3.93Å; E206-R375 IonicContact OE2-NH1 3.58Å; E206-R375 PolarHBondContact OE2-NH1 3.36Å
207V75.7Confident73.4Confident9 Ų933 Ų336%0.05516%0.162CC..Hα-helixtrans-66.4-43.8178.2177.10000111.8E203 A204 T209 F210 L211 L372 I374 L499E203-V207 PolarHBondContact O-N 2.66Å; A204-V207 PolarHBondContact O-N 2.97Å; A204-V207 VanDerWaalsContact O-N 3.11Å; V207-T209 VanDerWaalsContact C-N 3.33Å; V207-F210 PolarHBondContact O-N 3.43Å; V207-L211 HydrophobicContact CG1-CD1 4.23Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.11Å; V207-L372 WeakPolarHBondContact CG2-O 3.48Å; V207-I374 HydrophobicContact CG1-CD1 4.05Å; V207-I374 HydrophobicContact CG2-CD1 4.08Å; V207-I374 HydrophobicContact CG2-CG1 4.12Å; V207-L499 HydrophobicContact CG1-CD1 4.44Å
208F76Confident73.6Confident56 Ų5633.2 Ų33.225%0.24616%0.163CC..Hα-helixtrans-60.7-44.9173-84.8-80.8000110.9W180 L184 A204 F210 L211 F212 L372W180-F208 HydrophobicContact CB-CB 4.39Å; W180-F208 HydrophobicContact CD2-CB 3.75Å; W180-F208 HydrophobicContact CD2-CG 4.44Å; W180-F208 HydrophobicContact CE3-CB 3.98Å; W180-F208 HydrophobicContact CE3-CD1 4.22Å; W180-F208 HydrophobicContact CE3-CG 4.17Å; W180-F208 HydrophobicContact CG-CB 3.94Å; W180-F208 HydrophobicContact CH2-CD1 4.25Å; W180-F208 AromaticContact CZ3-CD1 4Å; W180-F208 HydrophobicContact CZ3-CD1 4Å; W180-F208 HydrophobicContact CZ3-CG 4.41Å; L184-F208 HydrophobicContact CD1-CD2 4.01Å; L184-F208 HydrophobicContact CD1-CE2 4.36Å; L184-F208 HydrophobicContact CD2-CD2 4.48Å; L184-F208 HydrophobicContact CD2-CE2 4.16Å; A204-F208 VanDerWaalsContact O-CD2 3.28Å; A204-F208 WeakPolarHBondContact O-CD2 3.21Å; A204-F208 PolarHBondContact O-N 3.25Å; F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 3Å; F208-L211 PolarHBondContact O-N 3.02Å; F208-F212 HydrophobicContact CD1-CE2 4.12Å; F208-F212 WeakPolarHBondContact O-CD2 3.49Å; F208-F212 PolarHBondContact O-N 3.27Å; F208-F212 VanDerWaalsContact O-N 3.16Å; F208-L372 HydrophobicContact CE2-CD1 4.05Å
209T75.9Confident73.6Confident5 Ų536.3 Ų36.33%0.03118%0.177CC..Hα-helixtrans-56.6-52.8176.4-59.50000109.9A176 P177 W180 A205 E206 V207 L211 F212 E213A176-T209 HydrophobicContact CB-CG2 3.55Å; P177-T209 VanDerWaalsContact CA-OG1 3.27Å; P177-T209 WeakPolarHBondContact CA-OG1 3.34Å; P177-T209 HydrophobicContact CG-CG2 4.08Å; W180-T209 VanDerWaalsContact CD1-OG1 3.31Å; A205-T209 VanDerWaalsContact O-CB 3.3Å; A205-T209 WeakPolarHBondContact O-CB 3.48Å; A205-T209 PolarHBondContact O-N 3.06Å; A205-T209 PolarHBondContact O-OG1 2.59Å; E206-T209 WeakPolarHBondContact O-CB 3.36Å; E206-T209 PolarHBondContact O-N 3.37Å; V207-T209 VanDerWaalsContact C-N 3.33Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.34Å; T209-F212 CarbonylContact O-C 3.59Å; T209-F212 PolarHBondContact O-N 3.07Å; T209-E213 HydrophobicContact CG2-CG 4.35Å; T209-E213 WeakPolarHBondContact O-CA 3.47Å; T209-E213 VanDerWaalsContact O-CB 3.3Å; T209-E213 WeakPolarHBondContact O-CB 3.39Å; T209-E213 PolarHBondContact O-N 3.28Å
210F74.8Confident73.8Confident7 Ų734.3 Ų34.33%0.03117%0.17CC..Hα-helixtrans-53.7-44.1178.1164.7-100.4000113.1E206 V207 F208 F212 Y496 L500 K503E206-F210 WeakPolarHBondContact O-CB 3.44Å; E206-F210 PolarHBondContact O-N 3.13Å; V207-F210 PolarHBondContact O-N 3.43Å; F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 3Å; F210-F212 PolarHBondContact O-N 2.92Å; F210-Y496 AromaticContact CD1-CE2 3.88Å; F210-Y496 HydrophobicContact CD1-CE2 3.88Å; F210-Y496 HydrophobicContact CD2-CE2 4.16Å; F210-Y496 HydrophobicContact CE1-CE2 4.02Å; F210-Y496 HydrophobicContact CE2-CE2 4.29Å; F210-Y496 WeakPolarHBondContact CE2-OH 3.32Å; F210-Y496 AromaticContact CG-CE2 3.98Å; F210-Y496 HydrophobicContact CG-CE2 3.98Å; F210-Y496 HydrophobicContact CZ-CE2 4.26Å; F210-L500 HydrophobicContact CE1-CD2 4.44Å; F210-L500 HydrophobicContact CE1-CG 4.17Å; F210-L500 HydrophobicContact CE2-CD2 3.52Å; F210-L500 HydrophobicContact CE2-CG 4.03Å; F210-L500 HydrophobicContact CZ-CB 4.31Å; F210-L500 HydrophobicContact CZ-CD2 3.25Å; F210-L500 HydrophobicContact CZ-CG 3.38Å; F210-K503 HydrophobicContact CZ-CD 4.28Å; F210-K503 PolarHBondContact O-NZ 3.26Å
211L68.3Low74.3Confident50 Ų5034.7 Ų34.726%0.26217%0.172SC..Hα-helixtrans-63.3-30.8177.8-77.7165.9000112.8V207 F208 T209V207-L211 HydrophobicContact CG1-CD1 4.23Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.11Å; F208-L211 PolarHBondContact O-N 3.02Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.34Å
212F68.8Low74.5Confident35 Ų3536 Ų3615%0.15418%0.179CC..Hα-helixtrans-107.3-1.1-176.1-70-77.9000114.8W180 F208 T209 F210 F219 I222W180-F212 HydrophobicContact CH2-CD2 4.07Å; W180-F212 AromaticContact CH2-CE2 3.98Å; W180-F212 HydrophobicContact CH2-CE2 3.98Å; W180-F212 HydrophobicContact CZ2-CB 4.43Å; W180-F212 AromaticContact CZ2-CD2 3.43Å; W180-F212 HydrophobicContact CZ2-CD2 3.43Å; W180-F212 VanDerWaalsContact CZ2-CD2 3.43Å; W180-F212 AromaticContact CZ2-CE2 3.83Å; W180-F212 HydrophobicContact CZ2-CE2 3.83Å; W180-F212 AromaticContact CZ2-CG 3.95Å; W180-F212 HydrophobicContact CZ2-CG 3.95Å; F208-F212 HydrophobicContact CD1-CE2 4.12Å; F208-F212 WeakPolarHBondContact O-CD2 3.49Å; F208-F212 PolarHBondContact O-N 3.27Å; F208-F212 VanDerWaalsContact O-N 3.16Å; T209-F212 CarbonylContact O-C 3.59Å; T209-F212 PolarHBondContact O-N 3.07Å; F210-F212 PolarHBondContact O-N 2.92Å; F212-F219 HydrophobicContact CZ-CD2 4.14Å; F212-I222 HydrophobicContact CD1-CD1 3.98Å; F212-I222 HydrophobicContact CE1-CD1 3.35Å; F212-I222 HydrophobicContact CE1-CG1 4.48Å; F212-I222 HydrophobicContact CZ-CD1 3.66Å
213E65.9Low74.6Confident61 Ų6136.2 Ų36.229%0.28518%0.178SC..Hα-helixtrans-70-52.5-171.4-149.7168.5-173.500112.2H167 T209 A215H167-E213 PolarHBondContact CE1-O 3.42Å; T209-E213 HydrophobicContact CG2-CG 4.35Å; T209-E213 WeakPolarHBondContact O-CA 3.47Å; T209-E213 VanDerWaalsContact O-CB 3.3Å; T209-E213 WeakPolarHBondContact O-CB 3.39Å; T209-E213 PolarHBondContact O-N 3.28Å; E213-A215 VanDerWaalsContact C-N 3.34Å; E213-A215 PolarHBondContact O-N 2.8Å
214D56.6Low75.1Confident81 Ų8135.7 Ų35.743%0.43318%0.176SC..SBendtrans-87.82.6-164.9-57.6-40.2000115.1K503D214-K503 IonicContact OD2-NZ 3.83Å; D214-K503 PolarHBondContact OD2-NZ 3.29Å
215A54.8Low75.5Confident18 Ų1835.7 Ų35.715%0.14918%0.176CC..SBendtrans-144.5142.2-177.300000111.3H167 E213 L217H167-A215 PolarHBondContact NE2-O 3.29Å; E213-A215 VanDerWaalsContact C-N 3.34Å; E213-A215 PolarHBondContact O-N 2.8Å; A215-L217 HydrophobicContact CB-CB 4.05Å; A215-L217 HydrophobicContact CB-CD1 3.46Å; A215-L217 VanDerWaalsContact CB-CD1 3.46Å; A215-L217 HydrophobicContact CB-CG 3.48Å; A215-L217 VanDerWaalsContact CB-CG 3.48Å; A215-L217 PolarHBondContact O-N 3.43Å
216D66.2Low75.9Confident35 Ų3538 Ų3819%0.18719%0.188CC..  trans-72.636.4169.9-156.4-8.8000110.9M1 S3 R10M1-D216 VanDerWaalsContact O-CB 3.25Å; M1-D216 WeakPolarHBondContact O-CB 3.37Å; S3-D216 WeakPolarHBondContact CB-OD1 3.39Å; S3-D216 PolarHBondContact N-OD1 3.38Å; S3-D216 PolarHBondContact OG-OD1 3.32Å; S3-D216 PolarHBondContact OG-OD2 3.02Å; R10-D216 IonicContact CZ-OD1 3.76Å; R10-D216 IonicContact NE-OD1 3.71Å; R10-D216 PolarHBondContact NE-OD1 3.12Å; R10-D216 IonicContact NH1-OD1 3.44Å; R10-D216 IonicContact NH2-OD1 3.89Å; R10-D216 PolarHBondContact NH2-OD1 3.36Å
217L71.9Confident76.2Confident14 Ų1435.9 Ų35.97%0.07318%0.179CC..  trans-82.4133.5-179.5-74.3170.3000109.3M1 A215 D221 I222 L510M1-L217 HydrophobicContact CE-CD2 3.37Å; M1-L217 HydrophobicContact SD-CD2 3.49Å; M1-L217 WeakPolarHBondContact SD-CD2 3.45Å; M1-L217 HydrophobicContact SD-CG 4.26Å; A215-L217 HydrophobicContact CB-CB 4.05Å; A215-L217 HydrophobicContact CB-CD1 3.46Å; A215-L217 VanDerWaalsContact CB-CD1 3.46Å; A215-L217 HydrophobicContact CB-CG 3.48Å; A215-L217 VanDerWaalsContact CB-CG 3.48Å; A215-L217 PolarHBondContact O-N 3.43Å; L217-D221 HydrophobicContact CD2-CB 3.48Å; L217-D221 VanDerWaalsContact CD2-CB 3.48Å; L217-I222 HydrophobicContact CB-CG1 4.4Å; L217-I222 HydrophobicContact CD1-CG1 4.46Å; L217-L510 HydrophobicContact CD2-CD1 3.73Å
218V79.4Confident76.6Confident7 Ų737.6 Ų37.64%0.04219%0.187CC..  trans-94.1161.6167.1-670000109.6T220 D221 I222V218-T220 VanDerWaalsContact CG2-OG1 3.28Å; V218-T220 WeakPolarHBondContact CG2-OG1 3.19Å; V218-T220 PolarHBondContact O-N 2.9Å; V218-T220 VanDerWaalsContact O-N 3.11Å; V218-D221 HydrophobicContact CG2-CB 4.41Å; V218-D221 VanDerWaalsContact CG2-CG 3.49Å; V218-D221 WeakPolarHBondContact CG2-OD2 3.39Å; V218-D221 PolarHBondContact N-OD2 3.41Å; V218-D221 WeakPolarHBondContact O-CB 3.49Å; V218-D221 PolarHBondContact O-N 2.94Å; V218-I222 PolarHBondContact O-N 2.91Å
219F79.9Confident77Confident146 Ų14635.9 Ų35.964%0.6418%0.181SC*.Hα-helixtrans-52.6-38-176.4-178-89.9000112.9F212 D221 I222 F223F212-F219 HydrophobicContact CZ-CD2 4.14Å; F219-D221 VanDerWaalsContact C-N 3.31Å; F219-D221 PolarHBondContact O-N 2.9Å; F219-I222 PolarHBondContact O-N 3.35Å; F219-F223 PolarHBondContact O-N 3.2Å
220T83.9Confident77.1Confident39 Ų3936.4 Ų36.424%0.23919%0.185CC..Hα-helixtrans-67.2-28.3178.451.10000113.4D17 V218 A224 K517D17-T220 WeakPolarHBondContact OD1-CB 3.46Å; D17-T220 WeakPolarHBondContact OD1-CG2 3.21Å; D17-T220 PolarHBondContact OD1-OG1 3.47Å; D17-T220 PolarHBondContact OD2-OG1 3.36Å; D17-T220 VanDerWaalsContact OD2-OG1 3.08Å; V218-T220 VanDerWaalsContact CG2-OG1 3.28Å; V218-T220 WeakPolarHBondContact CG2-OG1 3.19Å; V218-T220 PolarHBondContact O-N 2.9Å; V218-T220 VanDerWaalsContact O-N 3.11Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.07Å; T220-K517 PolarHBondContact OG1-NZ 3.48Å
221D86.4Confident77Confident7 Ų740.5 Ų40.54%0.03721%0.207CC..Hα-helixtrans-72.1-42.7175.1-59.3-25.7000110.3L217 V218 F219 F223 A224 G225 L510 K517L217-D221 HydrophobicContact CD2-CB 3.48Å; L217-D221 VanDerWaalsContact CD2-CB 3.48Å; V218-D221 HydrophobicContact CG2-CB 4.41Å; V218-D221 VanDerWaalsContact CG2-CG 3.49Å; V218-D221 WeakPolarHBondContact CG2-OD2 3.39Å; V218-D221 PolarHBondContact N-OD2 3.41Å; V218-D221 WeakPolarHBondContact O-CB 3.49Å; V218-D221 PolarHBondContact O-N 2.94Å; F219-D221 VanDerWaalsContact C-N 3.31Å; F219-D221 PolarHBondContact O-N 2.9Å; D221-F223 VanDerWaalsContact C-N 3.29Å; D221-F223 PolarHBondContact O-N 3.27Å; D221-A224 PolarHBondContact O-N 3.38Å; D221-G225 PolarHBondContact O-N 2.89Å; D221-L510 HydrophobicContact CB-CD1 4.33Å; D221-L510 WeakPolarHBondContact O-CD1 3.39Å; D221-K517 WeakPolarHBondContact OD1-CD 3.48Å; D221-K517 IonicContact OD1-NZ 3.17Å; D221-K517 PolarHBondContact OD1-NZ 3.25Å
222I83.3Confident77.2Confident31 Ų3139.8 Ų39.816%0.15921%0.206CC..Hα-helixtrans-58.3-46.3173.5-62180000109.5F212 L217 V218 F219 A224 G225 L226 I506F212-I222 HydrophobicContact CD1-CD1 3.98Å; F212-I222 HydrophobicContact CE1-CD1 3.35Å; F212-I222 HydrophobicContact CE1-CG1 4.48Å; F212-I222 HydrophobicContact CZ-CD1 3.66Å; L217-I222 HydrophobicContact CB-CG1 4.4Å; L217-I222 HydrophobicContact CD1-CG1 4.46Å; V218-I222 PolarHBondContact O-N 2.91Å; F219-I222 PolarHBondContact O-N 3.35Å; I222-A224 PolarHBondContact O-N 3.07Å; I222-G225 PolarHBondContact O-N 3.44Å; I222-L226 HydrophobicContact CG2-CD1 4.22Å; I222-L226 WeakPolarHBondContact O-CG 3.38Å; I222-L226 PolarHBondContact O-N 3.09Å; I222-I506 HydrophobicContact CG2-CD1 4.01Å
223F84.4Confident76.8Confident85 Ų8544.2 Ų44.237%0.37322%0.222SC..Hα-helixtrans-63.1-41.8178.1-172.4-123.3000112.6F219 D221 G225 L226 L227 L521F219-F223 PolarHBondContact O-N 3.2Å; D221-F223 VanDerWaalsContact C-N 3.29Å; D221-F223 PolarHBondContact O-N 3.27Å; F223-G225 VanDerWaalsContact C-N 3.34Å; F223-G225 PolarHBondContact O-N 3.2Å; F223-L226 PolarHBondContact O-N 3.17Å; F223-L227 HydrophobicContact CD1-CD1 4.29Å; F223-L227 HydrophobicContact CE1-CD1 3.92Å; F223-L227 HydrophobicContact CZ-CD1 4.14Å; F223-L227 HydrophobicContact CZ-CG 4.41Å; F223-L227 WeakPolarHBondContact O-CG 3.38Å; F223-L227 PolarHBondContact O-N 3.14Å; F223-L521 HydrophobicContact CD1-CD2 3.42Å; F223-L521 VanDerWaalsContact CD1-CD2 3.42Å; F223-L521 HydrophobicContact CE1-CD2 3.85Å; F223-L521 HydrophobicContact CG-CD2 4.41Å
224A87.8Confident76.6Confident0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-62.9-40.1173.900000112.3I86 T220 D221 I222 L227 L228 L510 K517 L520 L521I86-A224 HydrophobicContact CD1-CB 4.11Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.07Å; D221-A224 PolarHBondContact O-N 3.38Å; I222-A224 PolarHBondContact O-N 3.07Å; A224-L227 PolarHBondContact O-N 3.09Å; A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.12Å; A224-L510 HydrophobicContact CB-CD2 4.37Å; A224-K517 HydrophobicContact CB-CD 4.34Å; A224-K517 HydrophobicContact CB-CG 4.07Å; A224-L520 HydrophobicContact CB-CD1 4.49Å; A224-L521 HydrophobicContact CB-CD2 4.23Å
225G87.9Confident77Confident0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-67-38.2176.400000112.8D221 I222 F223 L228 L229D221-G225 PolarHBondContact O-N 2.89Å; I222-G225 PolarHBondContact O-N 3.44Å; F223-G225 VanDerWaalsContact C-N 3.34Å; F223-G225 PolarHBondContact O-N 3.2Å; G225-L228 PolarHBondContact O-N 3.06Å; G225-L229 WeakPolarHBondContact O-CB 3.37Å; G225-L229 WeakPolarHBondContact O-CG 3.46Å; G225-L229 PolarHBondContact O-N 3.46Å
226L86.7Confident77.3Confident48 Ų4846 Ų4625%0.25123%0.225SC..Hα-helixtrans-60.9-43.6171.6-74170.5000111.7I222 F223 L229 A230 L502 I506 L624I222-L226 HydrophobicContact CG2-CD1 4.22Å; I222-L226 WeakPolarHBondContact O-CG 3.38Å; I222-L226 PolarHBondContact O-N 3.09Å; F223-L226 PolarHBondContact O-N 3.17Å; L226-L229 PolarHBondContact O-N 3.17Å; L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.27Å; L226-L502 HydrophobicContact CD2-CD1 3.98Å; L226-L502 HydrophobicContact CD2-CD2 4.07Å; L226-L502 HydrophobicContact CD2-CG 4.31Å; L226-I506 HydrophobicContact CD2-CD1 3.66Å; L226-I506 HydrophobicContact CD2-CG1 4.27Å; L226-I506 HydrophobicContact CG-CD1 3.79Å; L226-I506 HydrophobicContact CG-CG1 4.44Å; L226-L624 HydrophobicContact CD2-CD1 3.89Å; L226-L624 HydrophobicContact CD2-CD2 3.8Å
227L85Confident76.9Confident20 Ų2047.5 Ų47.511%0.10523%0.233CC..Hα-helixtrans-63.7-42.3176.3-71171.6000111.8F223 A224 A230 D231 L521F223-L227 HydrophobicContact CD1-CD1 4.29Å; F223-L227 HydrophobicContact CE1-CD1 3.92Å; F223-L227 HydrophobicContact CZ-CD1 4.14Å; F223-L227 HydrophobicContact CZ-CG 4.41Å; F223-L227 WeakPolarHBondContact O-CG 3.38Å; F223-L227 PolarHBondContact O-N 3.14Å; A224-L227 PolarHBondContact O-N 3.09Å; L227-A230 PolarHBondContact O-N 2.91Å; L227-D231 WeakPolarHBondContact O-CB 3.42Å; L227-D231 PolarHBondContact O-N 3.44Å; L227-L521 HydrophobicContact CD1-CD2 3.86Å
228L84.5Confident76.4Confident44 Ų4450 Ų5023%0.2324%0.244CC..Hα-helixtrans-60.7-44.2175.3-78.8169.4000112.4A224 G225 D231 S232 A509 L510 C513 L520A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.12Å; G225-L228 PolarHBondContact O-N 3.06Å; L228-D231 PolarHBondContact O-N 3.11Å; L228-S232 PolarHBondContact O-N 3.09Å; L228-S232 VanDerWaalsContact O-N 3.08Å; L228-A509 HydrophobicContact CB-CB 4.34Å; L228-L510 HydrophobicContact CD1-CD2 4.15Å; L228-C513 HydrophobicContact CD1-CB 3.73Å; L228-L520 HydrophobicContact CD1-CD1 4.16Å; L228-L520 HydrophobicContact CD2-CD2 3.61Å; L228-L520 HydrophobicContact CG-CD1 4.4Å; L228-L520 HydrophobicContact CG-CD2 4.19Å
229L83.9Confident75.2Confident21 Ų2152 Ų5211%0.1125%0.253CS..Hα-helixtrans-69.6-38.7178.1-72.5175.3000111.9G225 L226 D231 S232 N235 L502 L505 I506 A509 L624G225-L229 WeakPolarHBondContact O-CB 3.37Å; G225-L229 WeakPolarHBondContact O-CG 3.46Å; G225-L229 PolarHBondContact O-N 3.46Å; L226-L229 PolarHBondContact O-N 3.17Å; L229-D231 PolarHBondContact O-N 2.83Å; L229-S232 WeakPolarHBondContact O-CB 3.49Å; L229-S232 PolarHBondContact O-N 3.24Å; L229-S232 PolarHBondContact O-OG 3.3Å; L229-N235 WeakPolarHBondContact O-CB 3.44Å; L229-N235 PolarHBondContact O-ND2 3.35Å; L229-N235 VanDerWaalsContact O-ND2 3.11Å; L229-L502 HydrophobicContact CD1-CD1 4.04Å; L229-L505 HydrophobicContact CD1-CB 3.76Å; L229-L505 HydrophobicContact CD2-CB 4.06Å; L229-I506 HydrophobicContact CD1-CB 4.37Å; L229-I506 HydrophobicContact CD1-CG1 3.59Å; L229-A509 HydrophobicContact CD2-CB 3.78Å; L229-A509 HydrophobicContact CG-CB 3.97Å; L229-L624 HydrophobicContact CB-CD1 3.47Å; L229-L624 VanDerWaalsContact CB-CD1 3.47Å; L229-L624 HydrophobicContact CD1-CD1 4.18Å
230A78.9Confident73.8Confident15 Ų1549 Ų4912%0.12424%0.243CC..Hα-helixtrans-60.3-34.1175.600000112.1L226 L227 L624L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.27Å; L227-A230 PolarHBondContact O-N 2.91Å; A230-L624 HydrophobicContact CB-CB 3.94Å
231D73Confident72.1Confident94 Ų9449.7 Ų49.750%0.50326%0.258SS..THydrogen-bonded Turntrans-89.3-4177.1-154.238000113.2L227 L228 L229 R233L227-D231 WeakPolarHBondContact O-CB 3.42Å; L227-D231 PolarHBondContact O-N 3.44Å; L228-D231 PolarHBondContact O-N 3.11Å; L229-D231 PolarHBondContact O-N 2.83Å; D231-R233 PolarHBondContact O-N 2.92Å
232S71.4Confident70.3Confident34 Ų3450.9 Ų50.924%0.23827%0.269CS..  trans-71.3133.3-177.176.90000110.8L228 L229 E234 N235 Q236L228-S232 PolarHBondContact O-N 3.09Å; L228-S232 VanDerWaalsContact O-N 3.08Å; L229-S232 WeakPolarHBondContact O-CB 3.49Å; L229-S232 PolarHBondContact O-N 3.24Å; L229-S232 PolarHBondContact O-OG 3.3Å; S232-E234 PolarHBondContact O-N 2.79Å; S232-E234 VanDerWaalsContact O-N 3.11Å; S232-N235 PolarHBondContact O-N 3.49Å; S232-N235 WeakPolarHBondContact OG-CB 3.34Å; S232-N235 PolarHBondContact OG-N 3.25Å; S232-Q236 PolarHBondContact O-N 2.54Å; S232-Q236 VanDerWaalsContact O-N 3.07Å
233R60.8Low68.3Low128 Ų12859.4 Ų59.448%0.48331%0.305SS..Hα-helixtrans-53.3-34.1177.7-174179176.5117.60.2112D231 Q236 L237D231-R233 PolarHBondContact O-N 2.92Å; R233-Q236 WeakPolarHBondContact O-CB 3.3Å; R233-Q236 PolarHBondContact O-N 2.9Å; R233-L237 HydrophobicContact CG-CD1 3.89Å; R233-L237 HydrophobicContact CG-CG 4.2Å; R233-L237 WeakPolarHBondContact O-CB 3.4Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.44Å; R233-L237 PolarHBondContact O-N 3.41Å
234E62Low66.6Low148 Ų14857.3 Ų57.369%0.69230%0.3SS*.Hα-helixtrans-65.7-42.1-179.1-154.8165.2-153.300111.9S232 L237 Q238S232-E234 PolarHBondContact O-N 2.79Å; S232-E234 VanDerWaalsContact O-N 3.11Å; E234-L237 PolarHBondContact O-N 2.93Å; E234-Q238 WeakPolarHBondContact O-CB 3.35Å; E234-Q238 PolarHBondContact O-N 2.66Å
235N65.4Low64.6Low13 Ų1365.4 Ų65.47%0.0734%0.338CS..Hα-helixtrans-71-32.6174.7-170.431.7000111.6L229 S232 Q239 L624L229-N235 WeakPolarHBondContact O-CB 3.44Å; L229-N235 PolarHBondContact O-ND2 3.35Å; L229-N235 VanDerWaalsContact O-ND2 3.11Å; S232-N235 PolarHBondContact O-N 3.49Å; S232-N235 WeakPolarHBondContact OG-CB 3.34Å; S232-N235 PolarHBondContact OG-N 3.25Å; N235-Q239 PolarHBondContact O-N 3.14Å; N235-L624 WeakPolarHBondContact ND2-CB 3.4Å; N235-L624 PolarHBondContact ND2-O 2.84Å
236Q61.1Low62.8Low38 Ų3873 Ų7318%0.17838%0.379CS..Hα-helixtrans-67.1-42.8171.9-67.4178-12.100112.3S232 R233 Q239 I540S232-Q236 PolarHBondContact O-N 2.54Å; S232-Q236 VanDerWaalsContact O-N 3.07Å; R233-Q236 WeakPolarHBondContact O-CB 3.3Å; R233-Q236 PolarHBondContact O-N 2.9Å; Q236-Q239 WeakPolarHBondContact O-CB 3.49Å; Q236-Q239 PolarHBondContact O-N 2.88Å; Q236-I540 HydrophobicContact CB-CD1 3.97Å; Q236-I540 HydrophobicContact CG-CD1 4.24Å
237L57Low61.1Low65 Ų6578 Ų7834%0.3440%0.401SS..Hα-helixtrans-69.7-34.8176.9-73.4169.9000112.4R233 E234 Q239 L240 G241R233-L237 HydrophobicContact CG-CD1 3.89Å; R233-L237 HydrophobicContact CG-CG 4.2Å; R233-L237 WeakPolarHBondContact O-CB 3.4Å; R233-L237 VanDerWaalsContact O-CG 3.3Å; R233-L237 WeakPolarHBondContact O-CG 3.44Å; R233-L237 PolarHBondContact O-N 3.41Å; E234-L237 PolarHBondContact O-N 2.93Å; L237-Q239 PolarHBondContact O-N 3.43Å; L237-L240 HydrophobicContact CD2-CD1 4.31Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.31Å; L237-G241 PolarHBondContact O-N 2.94Å
238Q61Low59.6Low66 Ų6682.3 Ų82.331%0.30842%0.424SS..Hα-helixtrans-61.7-28173.6-87.5-171.1-19.900113.1E234 L240 G241 E621E234-Q238 WeakPolarHBondContact O-CB 3.35Å; E234-Q238 PolarHBondContact O-N 2.66Å; Q238-L240 VanDerWaalsContact C-N 3.25Å; Q238-L240 PolarHBondContact O-N 3Å; Q238-G241 PolarHBondContact O-N 3.36Å; Q238-E621 PolarHBondContact NE2-OE2 3.03Å
239Q55.7Low58.6Low51 Ų5184.6 Ų84.624%0.23845%0.45CS..Hα-helixtrans-67.9-27.5173.6-69.8176.31600112.2N235 Q236 L237N235-Q239 PolarHBondContact O-N 3.14Å; Q236-Q239 WeakPolarHBondContact O-CB 3.49Å; Q236-Q239 PolarHBondContact O-N 2.88Å; L237-Q239 PolarHBondContact O-N 3.43Å
240L50.7Low58.1Low81 Ų8187 Ų8742%0.42447%0.465SS..Hα-helixtrans-83.5-34.1175.8-70.4157.5000112L237 Q238 A242 Y537 I540L237-L240 HydrophobicContact CD2-CD1 4.31Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.31Å; Q238-L240 VanDerWaalsContact C-N 3.25Å; Q238-L240 PolarHBondContact O-N 3Å; L240-A242 PolarHBondContact O-N 3.44Å; L240-Y537 HydrophobicContact CD2-CE1 3.75Å; L240-Y537 WeakPolarHBondContact CD2-OH 3.41Å; L240-I540 HydrophobicContact CD1-CG2 4.35Å
241G46.6Very low58.1Low54 Ų5487.2 Ų87.256%0.55747%0.465SS*.  trans-88.715.2-167.900000117.5L237 Q238 K243L237-G241 PolarHBondContact O-N 2.94Å; Q238-G241 PolarHBondContact O-N 3.36Å; G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 3.43Å
242A48.9Very low58.6Low33 Ų3388.3 Ų88.327%0.27348%0.48SS..  trans-6691.7178.200000110.7L240 C244L240-A242 PolarHBondContact O-N 3.44Å; A242-C244 PolarHBondContact O-N 3.05Å
243K42.9Very low59.3Low210 Ų21089.1 Ų89.191%0.91348%0.478SS*.  trans-60.4104.1165.6-77.1-174.5175.8-175.50107.7G241G241-K243 VanDerWaalsContact C-N 3.33Å; G241-K243 PolarHBondContact O-N 3.43Å
244C46.8Very low60.5Low40 Ų4083.4 Ų83.427%0.2746%0.457SS..  trans-128.4128.8168.1-59.20000106.2A242 K612 C614A242-C244 PolarHBondContact O-N 3.05Å; C244-K612 HydrophobicContact CB-CB 4.22Å; C244-K612 HydrophobicContact CB-CD 3.98Å; C244-C614 PolarHBondContact SG-SG 3.43Å
245E46.8Very low61.7Low171 Ų17179.6 Ų79.680%0.79944%0.441SS*.  trans-68.1149.3177.7-69.6-179.8157.300110.2
246D49.5Very low62.8Low159 Ų15979.8 Ų79.885%0.8545%0.445SS*.SBendtrans-63.9155.7179.1-97.5-31.6000111.8D248D246-D248 PolarHBondContact O-N 2.84Å; D246-D248 VanDerWaalsContact O-N 3.13Å
247Q52Low64.2Low153 Ų15385.1 Ų85.172%0.71546%0.463SS*.  trans-39.2106.8-168.1-67.1176.5-10.800115.2
248D52.6Low66Low110 Ų11083.8 Ų83.859%0.58846%0.456SS*.  trans-61.6146.8149.8-84.9-33.7000109.9D246 T250 N613D246-D248 PolarHBondContact O-N 2.84Å; D246-D248 VanDerWaalsContact O-N 3.13Å; D248-T250 PolarHBondContact O-N 2.8Å; D248-N613 PolarHBondContact OD2-ND2 3.47Å
249A62.8Low67.6Low93 Ų9380.7 Ų80.777%0.76944%0.442SS*.  trans-56.5114.4176.100000110.9
250T74.4Confident69.4Low72 Ų7280.2 Ų80.244%0.44244%0.44SS..  trans-58.3132.1171.749.40000109.1D248 M254 Y597D248-T250 PolarHBondContact O-N 2.8Å; T250-M254 HydrophobicContact CG2-CE 3.63Å; T250-M254 HydrophobicContact CG2-SD 4.26Å; T250-Y597 HydrophobicContact CG2-CE1 3.81Å
251P78.1Confident71.6Confident19 Ų1978.3 Ų78.312%0.12343%0.427CS..  trans-60.5144.9179.224.4-30.5000110.3W253 M254 Y597P251-W253 HydrophobicContact CG-CD2 4.48Å; P251-W253 HydrophobicContact CG-CZ2 4.04Å; P251-W253 PolarHBondContact O-N 3.18Å; P251-M254 HydrophobicContact CG-CB 4.05Å; P251-M254 PolarHBondContact O-N 2.91Å; P251-M254 VanDerWaalsContact O-O 3.12Å; P251-Y597 WeakPolarHBondContact CD-OH 3.04Å
252S83.6Confident74Confident117 Ų11775.8 Ų75.882%0.81840%0.401SS*.THydrogen-bonded Turntrans-56.2-27.8-171.655.60000115.2M254S252-M254 PolarHBondContact O-N 2.76Å
253W87Confident76.2Confident50 Ų5074.2 Ų74.219%0.18939%0.388CS..THydrogen-bonded Turntrans-77.6-7.1177.559.9-97.3000113.6P251 L258 R458 F460 C482P251-W253 HydrophobicContact CG-CD2 4.48Å; P251-W253 HydrophobicContact CG-CZ2 4.04Å; P251-W253 PolarHBondContact O-N 3.18Å; W253-L258 WeakPolarHBondContact O-CD1 3.27Å; W253-R458 HydrophobicContact CD2-CG 4.18Å; W253-R458 HydrophobicContact CE3-CB 4.19Å; W253-R458 HydrophobicContact CE3-CG 4.04Å; W253-R458 HydrophobicContact CZ3-CB 4.25Å; W253-R458 HydrophobicContact CZ3-CG 4.46Å; W253-F460 HydrophobicContact CE3-CE2 4.18Å; W253-F460 HydrophobicContact CE3-CZ 4.05Å; W253-F460 HydrophobicContact CZ3-CE2 4.17Å; W253-F460 HydrophobicContact CZ3-CZ 4.14Å; W253-C482 HydrophobicContact CH2-CB 3.61Å; W253-C482 HydrophobicContact CZ3-CB 3.78Å
254M85.6Confident78.8Confident8 Ų866.1 Ų66.14%0.03935%0.353CS..  trans-117.8115.1179.4-179.2-145.3133.600109.5T250 P251 S252 F460 C482 Y597T250-M254 HydrophobicContact CG2-CE 3.63Å; T250-M254 HydrophobicContact CG2-SD 4.26Å; P251-M254 HydrophobicContact CG-CB 4.05Å; P251-M254 PolarHBondContact O-N 2.91Å; P251-M254 VanDerWaalsContact O-O 3.12Å; S252-M254 PolarHBondContact O-N 2.76Å; M254-F460 HydrophobicContact CG-CE1 4.17Å; M254-C482 HydrophobicContact CG-CB 4.47Å; M254-C482 PolarHBondContact SD-SG 3.34Å; M254-Y597 HydrophobicContact CE-CD1 4.02Å; M254-Y597 HydrophobicContact CE-CD2 3.82Å; M254-Y597 HydrophobicContact CE-CE1 3.92Å; M254-Y597 HydrophobicContact CE-CE2 3.72Å; M254-Y597 HydrophobicContact CE-CG 3.94Å; M254-Y597 HydrophobicContact SD-CD2 3.67Å; M254-Y597 HydrophobicContact SD-CE1 4.17Å; M254-Y597 HydrophobicContact SD-CE2 3.1Å; M254-Y597 WeakPolarHBondContact SD-CE2 3.42Å; M254-Y597 HydrophobicContact SD-CG 4.38Å
255N88.1Confident81.1Confident68 Ų6864.2 Ų64.236%0.36434%0.34SS..  trans-141163.6169.861.558.9000110R257 L258 A259N255-R257 PolarHBondContact O-N 3.41Å; N255-R257 WeakPolarHBondContact OD1-CB 3.27Å; N255-R257 PolarHBondContact OD1-N 3.45Å; N255-L258 WeakPolarHBondContact ND2-CD1 3.46Å; N255-L258 PolarHBondContact O-N 3.13Å; N255-L258 WeakPolarHBondContact OD1-CB 3.2Å; N255-L258 WeakPolarHBondContact OD1-CG 3.46Å; N255-L258 PolarHBondContact OD1-N 3.24Å; N255-A259 WeakPolarHBondContact O-CB 3.31Å; N255-A259 PolarHBondContact O-N 2.81Å
256A87.2Confident83.5Confident17 Ų1756.1 Ų56.114%0.1430%0.302CS..Hα-helixtrans-58.9-33.6-175.900000112.9E260 L644A256-E260 WeakPolarHBondContact O-CB 3.28Å; A256-E260 PolarHBondContact O-N 3.44Å; A256-L644 HydrophobicContact CB-CB 4.12Å
257R91.1Very high85.6Confident151 Ų15148.5 Ų48.557%0.5726%0.262SS*.Hα-helixtrans-70.1-44.4-179.5-160.1179.7-154.8-169.36.2112.4N255 E260 R261 H649N255-R257 PolarHBondContact O-N 3.41Å; N255-R257 WeakPolarHBondContact OD1-CB 3.27Å; N255-R257 PolarHBondContact OD1-N 3.45Å; R257-E260 PolarHBondContact O-N 3.02Å; R257-R261 PolarHBondContact O-N 3.12Å; R257-H649 PolarHBondContact NE-NE2 3.06Å; R257-H649 PolarHBondContact NH2-NE2 3.25Å
258L93.9Very high87.6Confident37 Ų3741.4 Ų41.419%0.19423%0.229CC..Hα-helixtrans-65-43.7173.5-72.7177000110.9W253 N255 E260 R261 F262 T352 F460W253-L258 WeakPolarHBondContact O-CD1 3.27Å; N255-L258 WeakPolarHBondContact ND2-CD1 3.46Å; N255-L258 PolarHBondContact O-N 3.13Å; N255-L258 WeakPolarHBondContact OD1-CB 3.2Å; N255-L258 WeakPolarHBondContact OD1-CG 3.46Å; N255-L258 PolarHBondContact OD1-N 3.24Å; L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 3.05Å; L258-R261 PolarHBondContact O-N 2.64Å; L258-F262 HydrophobicContact CB-CD2 4.25Å; L258-F262 HydrophobicContact CB-CE2 3.94Å; L258-F262 HydrophobicContact CD2-CE2 4.06Å; L258-F262 HydrophobicContact CD2-CZ 4.23Å; L258-F262 HydrophobicContact CG-CE2 4.46Å; L258-F262 WeakPolarHBondContact O-CD2 3.39Å; L258-F262 WeakPolarHBondContact O-CG 3.4Å; L258-F262 PolarHBondContact O-N 3.43Å; L258-T352 HydrophobicContact CD2-CG2 3.5Å; L258-F460 HydrophobicContact CB-CZ 4.27Å
259A94.5Very high89.6Confident1 Ų136.1 Ų36.11%0.00820%0.201CC..Hα-helixtrans-59.7-42.9175.700000111.4N255 M263 F460 F462 L484 L641N255-A259 WeakPolarHBondContact O-CB 3.31Å; N255-A259 PolarHBondContact O-N 2.81Å; A259-M263 VanDerWaalsContact O-CB 3.27Å; A259-M263 WeakPolarHBondContact O-CB 3.26Å; A259-M263 PolarHBondContact O-N 3.2Å; A259-F460 HydrophobicContact CB-CD1 4.29Å; A259-F460 HydrophobicContact CB-CE1 4.26Å; A259-F462 HydrophobicContact CB-CE1 4.27Å; A259-F462 HydrophobicContact CB-CZ 4.49Å; A259-F462 WeakPolarHBondContact O-CZ 3.32Å; A259-L484 HydrophobicContact CB-CD2 3.99Å; A259-L641 HydrophobicContact CB-CD2 3.96Å
260E94.8Very high90.9Very high41 Ų4132.3 Ų32.319%0.19217%0.167CC..Hα-helixtrans-58.8-49.1173.1159.1163.6-148.800111.8A256 R257 L258 M263 E264 M638 L641 R642 S645A256-E260 WeakPolarHBondContact O-CB 3.28Å; A256-E260 PolarHBondContact O-N 3.44Å; R257-E260 PolarHBondContact O-N 3.02Å; L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 3.05Å; E260-M263 PolarHBondContact O-N 2.93Å; E260-E264 PolarHBondContact O-N 3.11Å; E260-M638 HydrophobicContact CB-CE 3.91Å; E260-M638 HydrophobicContact CG-CE 3.58Å; E260-L641 HydrophobicContact CB-CB 4.22Å; E260-R642 WeakPolarHBondContact OE1-CG 3.03Å; E260-R642 IonicContact OE1-NE 3.53Å; E260-R642 PolarHBondContact OE1-NE 3.39Å; E260-S645 WeakPolarHBondContact OE2-CB 3.29Å; E260-S645 PolarHBondContact OE2-OG 3.28Å
261R96.1Very high91.7Very high40 Ų4029 Ų2915%0.15115%0.147CC..Hα-helixtrans-62.6-45.6-178.1-178.855.5174.7169.80.6112.4R257 L258 M263 E264 I265 T323 D349 T352R257-R261 PolarHBondContact O-N 3.12Å; L258-R261 PolarHBondContact O-N 2.64Å; R261-M263 VanDerWaalsContact C-N 3.33Å; R261-M263 PolarHBondContact O-N 2.93Å; R261-E264 IonicContact CZ-OE2 3.38Å; R261-E264 IonicContact NH1-OE2 2.66Å; R261-E264 PolarHBondContact NH1-OE2 3.06Å; R261-E264 WeakPolarHBondContact O-CB 3.41Å; R261-E264 PolarHBondContact O-N 3.45Å; R261-I265 HydrophobicContact CG-CD1 4.42Å; R261-I265 WeakPolarHBondContact O-CG1 3.47Å; R261-I265 PolarHBondContact O-N 3.14Å; R261-T323 PolarHBondContact NH1-O 2.99Å; R261-T323 PolarHBondContact NH2-O 3.18Å; R261-D349 IonicContact CZ-OD1 3.89Å; R261-D349 IonicContact NE-OD1 2.67Å; R261-D349 PolarHBondContact NE-OD1 2.86Å; R261-D349 IonicContact NE-OD2 3.86Å; R261-D349 PolarHBondContact NE-OD2 3.18Å; R261-D349 IonicContact NH2-OD1 3.13Å; R261-D349 PolarHBondContact NH2-OD1 3.36Å; R261-T352 HydrophobicContact CG-CG2 3.97Å
262F97Very high92.3Very high2 Ų233 Ų331%0.00916%0.16CC..Hα-helixtrans-72.7-26.9179.4-61.5-47.8000112.9L258 I265 S266 T352 V356 V432 T434 F460 F462L258-F262 HydrophobicContact CB-CD2 4.25Å; L258-F262 HydrophobicContact CB-CE2 3.94Å; L258-F262 HydrophobicContact CD2-CE2 4.06Å; L258-F262 HydrophobicContact CD2-CZ 4.23Å; L258-F262 HydrophobicContact CG-CE2 4.46Å; L258-F262 WeakPolarHBondContact O-CD2 3.39Å; L258-F262 WeakPolarHBondContact O-CG 3.4Å; L258-F262 PolarHBondContact O-N 3.43Å; F262-I265 HydrophobicContact CD1-CD1 4.29Å; F262-S266 WeakPolarHBondContact O-CB 3.41Å; F262-S266 PolarHBondContact O-N 3.13Å; F262-S266 PolarHBondContact O-OG 3.47Å; F262-T352 HydrophobicContact CZ-CG2 4.41Å; F262-V356 HydrophobicContact CD1-CG1 4.42Å; F262-V356 HydrophobicContact CD1-CG2 4.24Å; F262-V356 HydrophobicContact CE1-CG2 3.85Å; F262-V432 HydrophobicContact CD1-CG1 4Å; F262-V432 HydrophobicContact CD2-CG1 4.13Å; F262-V432 HydrophobicContact CE1-CB 4.25Å; F262-V432 HydrophobicContact CE1-CG1 4.03Å; F262-V432 HydrophobicContact CE1-CG2 4.23Å; F262-V432 HydrophobicContact CE2-CG1 4.13Å; F262-V432 HydrophobicContact CE2-CG2 4.13Å; F262-V432 HydrophobicContact CG-CG1 4.08Å; F262-V432 HydrophobicContact CZ-CB 4.26Å; F262-V432 HydrophobicContact CZ-CG1 4.1Å; F262-V432 HydrophobicContact CZ-CG2 3.76Å; F262-T434 HydrophobicContact CB-CG2 4.37Å; F262-F460 HydrophobicContact CB-CB 4.24Å; F262-F460 HydrophobicContact CB-CG 4.35Å; F262-F460 HydrophobicContact CD2-CD1 4.22Å; F262-F460 AromaticContact CD2-CD2 3.4Å; F262-F460 HydrophobicContact CD2-CD2 3.4Å; F262-F460 HydrophobicContact CD2-CE1 4.25Å; F262-F460 AromaticContact CD2-CE2 3.44Å; F262-F460 HydrophobicContact CD2-CE2 3.44Å; F262-F460 VanDerWaalsContact CD2-CE2 3.44Å; F262-F460 AromaticContact CD2-CG 3.81Å; F262-F460 HydrophobicContact CD2-CG 3.81Å; F262-F460 AromaticContact CD2-CZ 3.88Å; F262-F460 HydrophobicContact CD2-CZ 3.88Å; F262-F460 AromaticContact CE2-CD2 3.87Å; F262-F460 HydrophobicContact CE2-CD2 3.87Å; F262-F460 AromaticContact CE2-CE2 3.48Å; F262-F460 HydrophobicContact CE2-CE2 3.48Å; F262-F460 VanDerWaalsContact CE2-CE2 3.48Å; F262-F460 AromaticContact CE2-CZ 3.97Å; F262-F460 HydrophobicContact CE2-CZ 3.97Å; F262-F460 HydrophobicContact CG-CD2 4.22Å; F262-F460 HydrophobicContact CG-CG 4.46Å; F262-F462 HydrophobicContact CB-CE2 4.3Å; F262-F462 HydrophobicContact CB-CZ 4.36Å
263M96Very high92.5Very high0 Ų029 Ų290%013%0.131CC..Hα-helixtrans-67.4-43.2169.3-175.462.3-169.600111.2A259 E260 R261 I265 S266 L267 H436 F462 P634 M637 M638 L641A259-M263 VanDerWaalsContact O-CB 3.27Å; A259-M263 WeakPolarHBondContact O-CB 3.26Å; A259-M263 PolarHBondContact O-N 3.2Å; E260-M263 PolarHBondContact O-N 2.93Å; R261-M263 VanDerWaalsContact C-N 3.33Å; R261-M263 PolarHBondContact O-N 2.93Å; M263-I265 VanDerWaalsContact C-N 3.33Å; M263-I265 PolarHBondContact O-N 2.76Å; M263-S266 WeakPolarHBondContact O-CB 3.25Å; M263-S266 PolarHBondContact O-N 3.46Å; M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 HydrophobicContact CE-CD2 3.9Å; M263-L267 HydrophobicContact CE-CG 3.8Å; M263-L267 HydrophobicContact CG-CD1 4.13Å; M263-L267 WeakPolarHBondContact O-CB 3.44Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.3Å; M263-L267 PolarHBondContact O-N 3.06Å; M263-H436 HydrophobicContact CE-CB 4.2Å; M263-H436 HydrophobicContact SD-CB 4.49Å; M263-F462 HydrophobicContact CB-CD1 4.23Å; M263-F462 HydrophobicContact CB-CD2 4.17Å; M263-F462 HydrophobicContact CB-CE1 3.87Å; M263-F462 HydrophobicContact CB-CE2 3.8Å; M263-F462 HydrophobicContact CB-CG 4.38Å; M263-F462 HydrophobicContact CB-CZ 3.66Å; M263-F462 HydrophobicContact CE-CB 4.49Å; M263-F462 HydrophobicContact CG-CD1 4.39Å; M263-F462 HydrophobicContact CG-CD2 4.44Å; M263-F462 HydrophobicContact CG-CG 4.37Å; M263-F462 HydrophobicContact SD-CB 3.52Å; M263-F462 VanDerWaalsContact SD-CB 3.52Å; M263-F462 HydrophobicContact SD-CD1 3.81Å; M263-F462 HydrophobicContact SD-CD2 3.45Å; M263-F462 WeakPolarHBondContact SD-CD2 3.33Å; M263-F462 HydrophobicContact SD-CE1 4.4Å; M263-F462 HydrophobicContact SD-CE2 4.09Å; M263-F462 HydrophobicContact SD-CG 3.3Å; M263-F462 WeakPolarHBondContact SD-CG 3.36Å; M263-P634 HydrophobicContact CE-CB 3.76Å; M263-M637 HydrophobicContact CE-CB 4.01Å; M263-M637 HydrophobicContact CE-CG 4.03Å; M263-M637 HydrophobicContact CG-CG 4.32Å; M263-M637 HydrophobicContact SD-CG 4.04Å; M263-M638 HydrophobicContact CB-CE 4.25Å; M263-M638 HydrophobicContact CB-SD 3.73Å; M263-M638 HydrophobicContact CG-CE 4.37Å; M263-M638 HydrophobicContact CG-SD 3.44Å; M263-M638 WeakPolarHBondContact CG-SD 3.41Å; M263-L641 HydrophobicContact CB-CD1 3.65Å; M263-L641 HydrophobicContact CG-CD1 3.92Å
264E95.9Very high92.6Very high40 Ų4027.7 Ų27.719%0.18713%0.126CC..Hα-helixtrans-58.4-44.8174.4-179.2179.6-129.500111.4E260 R261 L267 G268 H322E260-E264 PolarHBondContact O-N 3.11Å; R261-E264 IonicContact CZ-OE2 3.38Å; R261-E264 IonicContact NH1-OE2 2.66Å; R261-E264 PolarHBondContact NH1-OE2 3.06Å; R261-E264 WeakPolarHBondContact O-CB 3.41Å; R261-E264 PolarHBondContact O-N 3.45Å; E264-L267 WeakPolarHBondContact O-CB 3.32Å; E264-L267 PolarHBondContact O-N 2.81Å; E264-G268 PolarHBondContact O-N 3.41Å; E264-G268 VanDerWaalsContact O-N 3.1Å; E264-H322 PolarHBondContact O-CD2 3.48Å
265I97Very high92.8Very high0 Ų028.4 Ų28.40%013%0.128CC..Hα-helixtrans-63.7-45.4175.7-64.4172.3000111.2R261 F262 M263 L267 G268 F319 T323 D349 V356 A358R261-I265 HydrophobicContact CG-CD1 4.42Å; R261-I265 WeakPolarHBondContact O-CG1 3.47Å; R261-I265 PolarHBondContact O-N 3.14Å; F262-I265 HydrophobicContact CD1-CD1 4.29Å; M263-I265 VanDerWaalsContact C-N 3.33Å; M263-I265 PolarHBondContact O-N 2.76Å; I265-L267 PolarHBondContact O-N 3.33Å; I265-G268 PolarHBondContact O-N 2.75Å; I265-F319 HydrophobicContact CG2-CE2 4.21Å; I265-F319 HydrophobicContact CG2-CZ 3.97Å; I265-T323 HydrophobicContact CB-CG2 4.49Å; I265-T323 HydrophobicContact CG1-CG2 4.24Å; I265-D349 HydrophobicContact CD1-CB 4.15Å; I265-V356 HydrophobicContact CD1-CG1 4.46Å; I265-V356 HydrophobicContact CD1-CG2 4.3Å; I265-V356 HydrophobicContact CG2-CG1 3.96Å; I265-A358 HydrophobicContact CG2-CB 3.75Å
266S96.3Very high92.8Very high0 Ų025.8 Ų25.80%011%0.114CC..Hα-helixtrans-55.1-36.3174.7-67.20000112.2F262 M263 T434 G435F262-S266 WeakPolarHBondContact O-CB 3.41Å; F262-S266 PolarHBondContact O-N 3.13Å; F262-S266 PolarHBondContact O-OG 3.47Å; M263-S266 WeakPolarHBondContact O-CB 3.25Å; M263-S266 PolarHBondContact O-N 3.46Å; S266-T434 VanDerWaalsContact OG-CG2 3.26Å; S266-T434 WeakPolarHBondContact OG-CG2 3.18Å; S266-T434 PolarHBondContact OG-OG1 3.45Å; S266-G435 WeakPolarHBondContact OG-CA 3.46Å; S266-G435 PolarHBondContact OG-N 3.42Å
267L93.8Very high92.8Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-74.2-35.3-178.8-75.6170.8000114.2M263 E264 I265 V269 Y270 Y274 H322 P634 M638M263-L267 HydrophobicContact CE-CD1 3.81Å; M263-L267 HydrophobicContact CE-CD2 3.9Å; M263-L267 HydrophobicContact CE-CG 3.8Å; M263-L267 HydrophobicContact CG-CD1 4.13Å; M263-L267 WeakPolarHBondContact O-CB 3.44Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.3Å; M263-L267 PolarHBondContact O-N 3.06Å; E264-L267 WeakPolarHBondContact O-CB 3.32Å; E264-L267 PolarHBondContact O-N 2.81Å; I265-L267 PolarHBondContact O-N 3.33Å; L267-V269 PolarHBondContact O-N 3.11Å; L267-V269 VanDerWaalsContact O-N 3.17Å; L267-Y270 HydrophobicContact CD2-CD2 4.33Å; L267-Y270 HydrophobicContact CD2-CE2 4.39Å; L267-Y270 PolarHBondContact O-N 2.99Å; L267-Y270 VanDerWaalsContact O-N 3.15Å; L267-Y274 HydrophobicContact CB-CE1 3.83Å; L267-Y274 WeakPolarHBondContact CD1-OH 3.33Å; L267-Y274 HydrophobicContact CD2-CE1 4.15Å; L267-Y274 HydrophobicContact CD2-CE2 4.02Å; L267-Y274 HydrophobicContact CG-CE1 4.45Å; L267-H322 WeakPolarHBondContact CB-NE2 3.24Å; L267-P634 HydrophobicContact CD2-CB 3.15Å; L267-P634 HydrophobicContact CD2-CG 3.87Å; L267-P634 HydrophobicContact CG-CB 4.33Å; L267-M638 HydrophobicContact CD1-CB 4.06Å; L267-M638 HydrophobicContact CD1-CG 3.95Å; L267-M638 HydrophobicContact CD1-SD 3.91Å
268G93.9Very high92.3Very high3 Ų324.2 Ų24.23%0.03112%0.124CC..Hα-helixtrans-54.8-34.2175.600000112.4E264 I265 Y270 G271E264-G268 PolarHBondContact O-N 3.41Å; E264-G268 VanDerWaalsContact O-N 3.1Å; I265-G268 PolarHBondContact O-N 2.75Å; G268-Y270 PolarHBondContact O-N 3.07Å; G268-Y270 VanDerWaalsContact O-N 3.14Å; G268-G271 PolarHBondContact O-N 3.08Å
269V94Very high91.6Very high0 Ų024.5 Ų24.50%013%0.13CC..THydrogen-bonded Turntrans-66.5-17.3-175.4-165.40000112.3L267 G271 F319 Y335 I345 A358 R360L267-V269 PolarHBondContact O-N 3.11Å; L267-V269 VanDerWaalsContact O-N 3.17Å; V269-G271 PolarHBondContact O-N 2.85Å; V269-F319 HydrophobicContact CG2-CD2 4.24Å; V269-F319 HydrophobicContact CG2-CE2 3.87Å; V269-Y335 WeakPolarHBondContact O-CE1 3.35Å; V269-I345 HydrophobicContact CG1-CG1 4.49Å; V269-A358 HydrophobicContact CG2-CB 3.42Å; V269-A358 VanDerWaalsContact CG2-CB 3.42Å; V269-R360 HydrophobicContact CB-CB 4.44Å; V269-R360 HydrophobicContact CG1-CB 3.81Å; V269-R360 HydrophobicContact CG1-CG 4.29Å
270Y91.6Very high90.7Very high13 Ų1330.1 Ų30.15%0.05117%0.166CC..THydrogen-bonded Turntrans-67.8-15.7171.5-75.1-88.5000113.5L267 G268 Y274 R360 G361 F363 H436L267-Y270 HydrophobicContact CD2-CD2 4.33Å; L267-Y270 HydrophobicContact CD2-CE2 4.39Å; L267-Y270 PolarHBondContact O-N 2.99Å; L267-Y270 VanDerWaalsContact O-N 3.15Å; G268-Y270 PolarHBondContact O-N 3.07Å; G268-Y270 VanDerWaalsContact O-N 3.14Å; Y270-Y274 VanDerWaalsContact CB-CB 3.47Å; Y270-R360 HydrophobicContact CD1-CG 3.97Å; Y270-R360 HydrophobicContact CD2-CG 4.49Å; Y270-R360 HydrophobicContact CE1-CG 4.19Å; Y270-R360 HydrophobicContact CG-CG 4.16Å; Y270-G361 WeakPolarHBondContact OH-CA 3.24Å; Y270-F363 HydrophobicContact CD1-CB 3.81Å; Y270-F363 AromaticContact CD1-CD2 3.51Å; Y270-F363 HydrophobicContact CD1-CD2 3.51Å; Y270-F363 HydrophobicContact CD1-CE2 4.3Å; Y270-F363 AromaticContact CD1-CG 3.79Å; Y270-F363 HydrophobicContact CD1-CG 3.79Å; Y270-F363 HydrophobicContact CE1-CB 3.94Å; Y270-F363 AromaticContact CE1-CD2 3.93Å; Y270-F363 HydrophobicContact CE1-CD2 3.93Å; Y270-F363 HydrophobicContact CE1-CG 4.28Å; Y270-H436 HydrophobicContact CE2-CB 4.44Å; Y270-H436 PolarHBondContact OH-ND1 2.82Å; Y270-H436 VanDerWaalsContact OH-ND1 3.11Å
271G91Very high90.1Very high1 Ų137.4 Ų37.41%0.0119%0.192CC..  trans77.2-159.4172.600000114G268 V269 P273 Y274 Y275G268-G271 PolarHBondContact O-N 3.08Å; V269-G271 PolarHBondContact O-N 2.85Å; G271-P273 VanDerWaalsContact C-CD 3.43Å; G271-Y274 PolarHBondContact O-N 3.38Å; G271-Y275 PolarHBondContact O-N 2.95Å; G271-Y275 VanDerWaalsContact O-N 3.09Å
272W89.8Confident89.4Confident105 Ų10541.5 Ų41.540%0.39821%0.211SC..Hα-helixtrans-63.5-35.5-169.779.8-95.6000115.6Y274 Y275 V276 L289 C314 N315 A318W272-Y274 VanDerWaalsContact C-N 3.29Å; W272-Y274 PolarHBondContact O-N 2.85Å; W272-Y275 PolarHBondContact O-N 2.88Å; W272-V276 HydrophobicContact CE3-CG2 4.01Å; W272-V276 WeakPolarHBondContact O-CG2 3.2Å; W272-V276 PolarHBondContact O-N 3.43Å; W272-L289 HydrophobicContact CB-CD1 4.21Å; W272-L289 HydrophobicContact CB-CD2 3.67Å; W272-L289 HydrophobicContact CE3-CD2 4.44Å; W272-L289 HydrophobicContact CG-CD2 4.3Å; W272-C314 HydrophobicContact CB-CB 3.95Å; W272-C314 HydrophobicContact CG-CB 3.95Å; W272-N315 VanDerWaalsContact CD1-OD1 3.26Å; W272-N315 PolarHBondContact N-OD1 3.17Å; W272-A318 VanDerWaalsContact CA-CB 3.44Å; W272-A318 HydrophobicContact CB-CB 3.9Å
273P88.1Confident88.8Confident32 Ų3244.1 Ų44.121%0.20823%0.229CC..Hα-helixtrans-63.8-40.5-179-22.335.5000110.9G271 C277 F363G271-P273 VanDerWaalsContact C-CD 3.43Å; P273-C277 VanDerWaalsContact O-CB 3.27Å; P273-C277 WeakPolarHBondContact O-CB 3.24Å; P273-C277 PolarHBondContact O-N 2.97Å; P273-C277 VanDerWaalsContact O-N 3.08Å; P273-C277 PolarHBondContact O-SG 2.59Å; P273-F363 HydrophobicContact CB-CE1 3.72Å; P273-F363 HydrophobicContact CB-CZ 3.7Å; P273-F363 HydrophobicContact CG-CE1 3.97Å; P273-F363 HydrophobicContact CG-CZ 4.44Å
274Y89Confident88.4Confident22 Ų2253.9 Ų53.99%0.08627%0.266CS..Hα-helixtrans-65.8-46.9173.7173.7-97.8000111.3L267 Y270 G271 W272 V276 C277 S278 H322 P634 Q635L267-Y274 HydrophobicContact CB-CE1 3.83Å; L267-Y274 WeakPolarHBondContact CD1-OH 3.33Å; L267-Y274 HydrophobicContact CD2-CE1 4.15Å; L267-Y274 HydrophobicContact CD2-CE2 4.02Å; L267-Y274 HydrophobicContact CG-CE1 4.45Å; Y270-Y274 VanDerWaalsContact CB-CB 3.47Å; G271-Y274 PolarHBondContact O-N 3.38Å; W272-Y274 VanDerWaalsContact C-N 3.29Å; W272-Y274 PolarHBondContact O-N 2.85Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 2.8Å; Y274-C277 CarbonylContact O-C 3.49Å; Y274-C277 PolarHBondContact O-N 3.37Å; Y274-S278 VanDerWaalsContact O-CB 3.28Å; Y274-S278 WeakPolarHBondContact O-CB 3.43Å; Y274-S278 PolarHBondContact O-N 2.95Å; Y274-H322 AromaticContact CE1-CE1 3.72Å; Y274-H322 AromaticContact CE1-NE2 3.92Å; Y274-P634 HydrophobicContact CE2-CG 4.14Å; Y274-Q635 HydrophobicContact CE2-CG 4.29Å
275Y89.8Confident87.9Confident24 Ų2452.5 Ų52.59%0.09426%0.26CS..Hα-helixtrans-55.9-45.4180-179.8-106.4000112.6G271 W272 S278 P285 L289 A318 L321 H322G271-Y275 PolarHBondContact O-N 2.95Å; G271-Y275 VanDerWaalsContact O-N 3.09Å; W272-Y275 PolarHBondContact O-N 2.88Å; Y275-S278 PolarHBondContact O-N 2.7Å; Y275-S278 PolarHBondContact O-OG 2.86Å; Y275-P285 HydrophobicContact CD1-CB 3.85Å; Y275-P285 HydrophobicContact CE1-CB 3.48Å; Y275-P285 VanDerWaalsContact CE1-CB 3.48Å; Y275-P285 WeakPolarHBondContact CE1-O 3.28Å; Y275-L289 HydrophobicContact CE1-CB 4.41Å; Y275-A318 HydrophobicContact CD1-CB 4.47Å; Y275-A318 HydrophobicContact CG-CB 4.16Å; Y275-L321 HydrophobicContact CE1-CB 4.38Å; Y275-L321 HydrophobicContact CE1-CD1 4.04Å; Y275-L321 HydrophobicContact CE2-CB 3.87Å; Y275-H322 HydrophobicContact CD2-CB 4.04Å; Y275-H322 HydrophobicContact CE2-CB 4.43Å
276V89Confident87.4Confident12 Ų1255.2 Ų55.27%0.07328%0.275CS..Hα-helixtrans-68.3-42.7178.7174.70000111.6W272 Y274 S278 F282 L286 L289W272-V276 HydrophobicContact CE3-CG2 4.01Å; W272-V276 WeakPolarHBondContact O-CG2 3.2Å; W272-V276 PolarHBondContact O-N 3.43Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 2.8Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 3.39Å; V276-F282 HydrophobicContact CG1-CB 3.91Å; V276-L286 HydrophobicContact CG1-CB 4.33Å; V276-L286 HydrophobicContact CG2-CB 4.3Å; V276-L286 HydrophobicContact CG2-CD1 4.21Å; V276-L289 HydrophobicContact CG2-CD2 4.3Å
277C85.6Confident87Confident92 Ų9262 Ų6262%0.62230%0.304SS*.Hα-helixtrans-79.3-7.7180-65.60000114.1P273 Y274 S279P273-C277 VanDerWaalsContact O-CB 3.27Å; P273-C277 WeakPolarHBondContact O-CB 3.24Å; P273-C277 PolarHBondContact O-N 2.97Å; P273-C277 VanDerWaalsContact O-N 3.08Å; P273-C277 PolarHBondContact O-SG 2.59Å; Y274-C277 CarbonylContact O-C 3.49Å; Y274-C277 PolarHBondContact O-N 3.37Å; C277-S279 PolarHBondContact O-N 2.74Å
278S81.7Confident86.8Confident43 Ų4366.9 Ų66.930%0.30133%0.326SS..THydrogen-bonded Turntrans-71.4-16.8178.372.30000113.1Y274 Y275 V276Y274-S278 VanDerWaalsContact O-CB 3.28Å; Y274-S278 WeakPolarHBondContact O-CB 3.43Å; Y274-S278 PolarHBondContact O-N 2.95Å; Y275-S278 PolarHBondContact O-N 2.7Å; Y275-S278 PolarHBondContact O-OG 2.86Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 3.39Å
279S79Confident86.6Confident43 Ų4367 Ų6730%0.30133%0.325SS..SBendtrans-111.8140.6177.1-168.50000110.8C277 W281C277-S279 PolarHBondContact O-N 2.74Å; S279-W281 PolarHBondContact O-N 3.41Å; S279-W281 VanDerWaalsContact O-N 3.13Å; S279-W281 PolarHBondContact OG-N 3.19Å
280P75.7Confident86.2Confident119 Ų11971.3 Ų71.377%0.77335%0.348SS*.SBendtrans-59.3-23.1170.3-6.411.8000112.7
281W81.4Confident85.9Confident195 Ų19574.9 Ų74.974%0.73938%0.375SS*.  trans-106.673.6-178.6-62.585.6000110.6S279 C283 R284 P285S279-W281 PolarHBondContact O-N 3.41Å; S279-W281 VanDerWaalsContact O-N 3.13Å; S279-W281 PolarHBondContact OG-N 3.19Å; W281-C283 PolarHBondContact O-N 3.06Å; W281-R284 PolarHBondContact O-N 3.47Å; W281-R284 VanDerWaalsContact O-N 3.17Å; W281-P285 WeakPolarHBondContact O-CD 3.45Å
282F82.2Confident85.5Confident125 Ų12579.6 Ų79.655%0.54840%0.396SS..THydrogen-bonded Turntrans-52.1-28.6-173.161.8-93.9000114.6V276 R284 P285 L286V276-F282 HydrophobicContact CG1-CB 3.91Å; F282-R284 PolarHBondContact O-N 3.24Å; F282-P285 WeakPolarHBondContact O-CD 3.38Å; F282-P285 WeakPolarHBondContact O-CG 3.36Å; F282-L286 WeakPolarHBondContact O-CB 3.46Å; F282-L286 PolarHBondContact O-N 2.85Å; F282-L286 VanDerWaalsContact O-N 3.14Å
283C84.8Confident84.9Confident58 Ų5876 Ų7639%0.39239%0.387SS..Hα-helixtrans-59.7-43.6179.6-61.20000113.1W281 L286 F287W281-C283 PolarHBondContact O-N 3.06Å; C283-L286 PolarHBondContact O-N 3.33Å; C283-F287 HydrophobicContact CB-CD2 4.22Å; C283-F287 HydrophobicContact CB-CE2 4.02Å; C283-F287 WeakPolarHBondContact O-CD2 3.4Å; C283-F287 PolarHBondContact O-N 3.45Å
284R86.6Confident84.1Confident204 Ų20480.9 Ų80.977%0.7740%0.402SS*.Hα-helixtrans-62.7-55.3-176.7-77.1-172.8174.9-172-0.3113.5W281 F282 L286 F287 K288W281-R284 PolarHBondContact O-N 3.47Å; W281-R284 VanDerWaalsContact O-N 3.17Å; F282-R284 PolarHBondContact O-N 3.24Å; R284-L286 VanDerWaalsContact C-N 3.25Å; R284-L286 PolarHBondContact O-N 3.21Å; R284-F287 PolarHBondContact O-N 2.79Å; R284-K288 PolarHBondContact O-N 2.98Å
285P85.6Confident82.9Confident11 Ų1182.6 Ų82.67%0.07142%0.416CS..Hα-helixtrans-63.3-33.8176.123.9-30.8000111.4Y275 W281 F282 K288 L289Y275-P285 HydrophobicContact CD1-CB 3.85Å; Y275-P285 HydrophobicContact CE1-CB 3.48Å; Y275-P285 VanDerWaalsContact CE1-CB 3.48Å; Y275-P285 WeakPolarHBondContact CE1-O 3.28Å; W281-P285 WeakPolarHBondContact O-CD 3.45Å; F282-P285 WeakPolarHBondContact O-CD 3.38Å; F282-P285 WeakPolarHBondContact O-CG 3.36Å; P285-K288 PolarHBondContact O-N 2.76Å; P285-L289 WeakPolarHBondContact O-CB 3.4Å; P285-L289 PolarHBondContact O-N 3.21Å
286L87.5Confident81.4Confident57 Ų5787.5 Ų87.530%0.29845%0.453SS..Hα-helixtrans-62.5-47.4174.9-177.263000112.2V276 F282 C283 R284 K288 L289 L290V276-L286 HydrophobicContact CG1-CB 4.33Å; V276-L286 HydrophobicContact CG2-CB 4.3Å; V276-L286 HydrophobicContact CG2-CD1 4.21Å; F282-L286 WeakPolarHBondContact O-CB 3.46Å; F282-L286 PolarHBondContact O-N 2.85Å; F282-L286 VanDerWaalsContact O-N 3.14Å; C283-L286 PolarHBondContact O-N 3.33Å; R284-L286 VanDerWaalsContact C-N 3.25Å; R284-L286 PolarHBondContact O-N 3.21Å; L286-K288 PolarHBondContact O-N 3.46Å; L286-L289 WeakPolarHBondContact O-CB 3.43Å; L286-L289 PolarHBondContact O-N 2.8Å; L286-L290 HydrophobicContact CD1-CD1 4.22Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.01Å; L286-L290 HydrophobicContact CG-CG 4.5Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.3Å
287F87.9Confident79.7Confident143 Ų14396.8 Ų96.863%0.62749%0.488SS*.Hα-helixtrans-63.9-40.6176.1-76-61.6000112.1C283 R284 L290 S291C283-F287 HydrophobicContact CB-CD2 4.22Å; C283-F287 HydrophobicContact CB-CE2 4.02Å; C283-F287 WeakPolarHBondContact O-CD2 3.4Å; C283-F287 PolarHBondContact O-N 3.45Å; R284-F287 PolarHBondContact O-N 2.79Å; F287-L290 PolarHBondContact O-N 3.48Å; F287-S291 WeakPolarHBondContact O-CB 3.3Å; F287-S291 PolarHBondContact O-N 3.36Å; F287-S291 PolarHBondContact O-OG 3.02Å
288K89.1Confident77.8Confident103 Ų103101.8 Ų101.845%0.44850%0.502SS..Hα-helixtrans-62.3-45176.1-162.7176.9-175.5-168.60111R284 P285 L286 S291 H292 L321R284-K288 PolarHBondContact O-N 2.98Å; P285-K288 PolarHBondContact O-N 2.76Å; L286-K288 PolarHBondContact O-N 3.46Å; K288-S291 PolarHBondContact O-N 3.33Å; K288-S291 PolarHBondContact O-OG 3.08Å; K288-H292 PolarHBondContact O-N 3.05Å; K288-H292 PolarHBondContact O-ND1 3.24Å; K288-L321 HydrophobicContact CD-CD2 4.19Å; K288-L321 HydrophobicContact CG-CD1 4.26Å; K288-L321 HydrophobicContact CG-CD2 4.26Å
289L88.8Confident76.1Confident4 Ų4104.7 Ų104.72%0.02152%0.521CS..Hα-helixtrans-58.7-51.3174.5-177.977.6000111.5W272 Y275 V276 P285 L286 S291 H292 S293 C314 V317 A318 L321W272-L289 HydrophobicContact CB-CD1 4.21Å; W272-L289 HydrophobicContact CB-CD2 3.67Å; W272-L289 HydrophobicContact CE3-CD2 4.44Å; W272-L289 HydrophobicContact CG-CD2 4.3Å; Y275-L289 HydrophobicContact CE1-CB 4.41Å; V276-L289 HydrophobicContact CG2-CD2 4.3Å; P285-L289 WeakPolarHBondContact O-CB 3.4Å; P285-L289 PolarHBondContact O-N 3.21Å; L286-L289 WeakPolarHBondContact O-CB 3.43Å; L286-L289 PolarHBondContact O-N 2.8Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.83Å; L289-H292 CarbonylContact O-C 3.52Å; L289-H292 PolarHBondContact O-N 3.36Å; L289-H292 VanDerWaalsContact O-N 3.08Å; L289-S293 WeakPolarHBondContact O-CB 3.49Å; L289-S293 PolarHBondContact O-N 3.26Å; L289-C314 HydrophobicContact CD1-CB 4.32Å; L289-C314 HydrophobicContact CD2-CB 4.27Å; L289-V317 HydrophobicContact CD1-CB 4.31Å; L289-V317 HydrophobicContact CD1-CG1 4.02Å; L289-A318 HydrophobicContact CD1-CB 3.88Å; L289-L321 HydrophobicContact CD1-CD1 4.48Å
290L85.9Confident74.7Confident91 Ų91112.2 Ų112.248%0.47654%0.543SS..Hα-helixtrans-61.4-40.6-178.4-72.1170.8000111.9L286 F287 H292 S293L286-L290 HydrophobicContact CD1-CD1 4.22Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.01Å; L286-L290 HydrophobicContact CG-CG 4.5Å; L286-L290 WeakPolarHBondContact O-CB 3.38Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.5Å; L286-L290 PolarHBondContact O-N 3.3Å; F287-L290 PolarHBondContact O-N 3.48Å; L290-H292 PolarHBondContact O-N 2.9Å; L290-S293 PolarHBondContact O-N 3.2Å; L290-S293 PolarHBondContact O-OG 3.06Å
291S85.7Confident73.2Confident88 Ų88110.9 Ų110.962%0.61554%0.536SS*.Hα-helixtrans-64.2-21.4176.765.70000114.3F287 K288 L289F287-S291 WeakPolarHBondContact O-CB 3.3Å; F287-S291 PolarHBondContact O-N 3.36Å; F287-S291 PolarHBondContact O-OG 3.02Å; K288-S291 PolarHBondContact O-N 3.33Å; K288-S291 PolarHBondContact O-OG 3.08Å; L289-S291 VanDerWaalsContact C-N 3.32Å; L289-S291 PolarHBondContact O-N 2.83Å
292H82.5Confident71.8Confident100 Ų100108.2 Ų108.246%0.46354%0.536SS..Hα-helixtrans-106.2-3.6177.6-67.168.1000112.5K288 L289 L290 V317K288-H292 PolarHBondContact O-N 3.05Å; K288-H292 PolarHBondContact O-ND1 3.24Å; L289-H292 CarbonylContact O-C 3.52Å; L289-H292 PolarHBondContact O-N 3.36Å; L289-H292 VanDerWaalsContact O-N 3.08Å; L290-H292 PolarHBondContact O-N 2.9Å; H292-V317 HydrophobicContact CB-CG1 3.54Å
293S76.9Confident70.5Confident30 Ų30106.4 Ų106.421%0.2154%0.538CS..  trans-77.6139.2-179.872.30000111.1L289 L290 C295L289-S293 WeakPolarHBondContact O-CB 3.49Å; L289-S293 PolarHBondContact O-N 3.26Å; L290-S293 PolarHBondContact O-N 3.2Å; L290-S293 PolarHBondContact O-OG 3.06Å; S293-C295 PolarHBondContact O-N 2.66Å
294R71.8Confident69.3Low135 Ų135104.8 Ų104.851%0.50953%0.527SS..  trans-101.938.9-171.4-64.9-172.71781616.2113.3C296 C312 E327R294-C296 PolarHBondContact O-N 2.86Å; R294-C312 PolarHBondContact N-O 3.17Å; R294-E327 IonicContact CZ-OE1 2.82Å; R294-E327 IonicContact CZ-OE2 2.92Å; R294-E327 IonicContact NH1-OE1 2.59Å; R294-E327 PolarHBondContact NH1-OE1 3.37Å; R294-E327 IonicContact NH1-OE2 2.98Å; R294-E327 IonicContact NH2-OE1 2.78Å; R294-E327 PolarHBondContact NH2-OE1 2.66Å; R294-E327 IonicContact NH2-OE2 3.47Å; R294-E327 PolarHBondContact NH2-OE2 3.38Å
295C63.8Low68.5Low58 Ų5898.8 Ų98.839%0.39251%0.51SS..THydrogen-bonded Turntrans-68.90.4-162.3-137.80000117.4S293 C312S293-C295 PolarHBondContact O-N 2.66Å; C295-C312 HydrophobicContact CB-CB 3.5Å; C295-C312 VanDerWaalsContact CB-CB 3.5Å; C295-C312 WeakPolarHBondContact CB-SG 3.39Å; C295-C312 WeakPolarHBondContact SG-CB 3.43Å; C295-C312 CovalentContact SG-SG 2.04Å; C295-C312 PolarHBondContact SG-SG 3.33Å
296C57.8Low67.9Low127 Ų127100.6 Ų100.686%0.85852%0.52SS*.THydrogen-bonded Turntrans-14623.2-174.9-640000115.5R294R294-C296 PolarHBondContact O-N 2.86Å
297Y53Low67.2Low206 Ų20699.8 Ų99.881%0.80852%0.516SS*.  trans-110.9126176.2-120.9-90.2000113.2C299Y297-C299 HydrophobicContact CD1-CB 4.41Å; Y297-C299 PolarHBondContact O-N 3.47Å; Y297-C299 VanDerWaalsContact O-N 3.13Å
298Q47Very low66.5Low198 Ų198100.7 Ų100.793%0.92552%0.515SS*.  trans-84.235.8-174-144.1156.8-2.500112.4
299C44.6Very low65.7Low103 Ų10397 Ų9770%0.69650%0.5SS*.  trans-139.7130.6-175.2-66.50000113.3Y297Y297-C299 HydrophobicContact CD1-CB 4.41Å; Y297-C299 PolarHBondContact O-N 3.47Å; Y297-C299 VanDerWaalsContact O-N 3.13Å
300R50.9Low65Low201 Ų20198.9 Ų98.976%0.75851%0.51SS*.  trans-56.6163.2177.6-67.8-179.2178.6-173.6-0.4114.9D302R300-D302 IonicContact NH1-OD1 3.31Å; R300-D302 IonicContact NH1-OD2 3.96Å; R300-D302 PolarHBondContact NH1-OD2 3.39Å
301C44.6Very low64.4Low92 Ų92100.2 Ų100.262%0.62253%0.526SS*.  trans-135.6127132.3-850000110.2S303C301-S303 VanDerWaalsContact C-N 3.25Å; C301-S303 PolarHBondContact O-N 2.93Å
302D51.2Low64Low138 Ų13897 Ų9774%0.73850%0.503SS*.THydrogen-bonded Turntrans-8217.8-176.4-79-35.9000113.1R300R300-D302 IonicContact NH1-OD1 3.31Å; R300-D302 IonicContact NH1-OD2 3.96Å; R300-D302 PolarHBondContact NH1-OD2 3.39Å
303S55.6Low64.1Low87 Ų8795.3 Ų95.361%0.60850%0.496SS*.THydrogen-bonded Turntrans-98.5-20.8-172.258.70000115.3C301C301-S303 VanDerWaalsContact C-N 3.25Å; C301-S303 PolarHBondContact O-N 2.93Å
304V59.7Low64.6Low25 Ų2594.6 Ų94.615%0.15249%0.491CS..SBendtrans-131.1123.3-177.7-172.80000109.3V306 L330 V333V304-V306 HydrophobicContact CB-CG2 4.14Å; V304-V306 HydrophobicContact CG1-CG2 3.77Å; V304-V306 PolarHBondContact O-N 2.79Å; V304-L330 HydrophobicContact CG1-CB 4.12Å; V304-L330 VanDerWaalsContact CG1-O 3.27Å; V304-L330 WeakPolarHBondContact CG1-O 3.16Å; V304-L330 WeakPolarHBondContact CG2-O 3.38Å; V304-V333 HydrophobicContact CG1-CG2 4.14Å
305L69Low65.5Low78 Ų7889.3 Ų89.341%0.40847%0.473SS..EExtended strand (participates in β ladder)trans-7694.8176.9-17460.1000108.9I307 F331 Y332 V333 E416L305-I307 HydrophobicContact CG-CG1 4.39Å; L305-F331 PolarHBondContact N-O 2.89Å; L305-Y332 HydrophobicContact CB-CD2 3.99Å; L305-Y332 HydrophobicContact CB-CE2 4.37Å; L305-Y332 HydrophobicContact CD2-CD2 3.83Å; L305-Y332 HydrophobicContact CD2-CE2 3.49Å; L305-Y332 VanDerWaalsContact CD2-CE2 3.49Å; L305-Y332 HydrophobicContact CG-CD2 4.09Å; L305-Y332 HydrophobicContact CG-CE2 3.95Å; L305-V333 PolarHBondContact O-N 2.81Å; L305-E416 HydrophobicContact CD2-CB 4.33Å; L305-E416 HydrophobicContact CD2-CG 4.15Å; L305-E416 WeakPolarHBondContact CD2-OE2 3.46Å
306V73.2Confident66.8Low48 Ų4886.7 Ų86.729%0.29146%0.456SS..EExtended strand (participates in β ladder)trans-100.4117.2178.5-175.20000110.9V304 D309 M313 V333V304-V306 HydrophobicContact CB-CG2 4.14Å; V304-V306 HydrophobicContact CG1-CG2 3.77Å; V304-V306 PolarHBondContact O-N 2.79Å; V306-D309 HydrophobicContact CG1-CB 3.74Å; V306-M313 HydrophobicContact CB-CE 3.93Å; V306-M313 HydrophobicContact CG1-CE 3.61Å; V306-M313 HydrophobicContact CG1-SD 3.97Å; V306-M313 HydrophobicContact CG2-CE 3.74Å; V306-V333 CarbonylContact C-O 3.55Å; V306-V333 WeakPolarHBondContact CA-O 3.23Å; V306-V333 HydrophobicContact CB-CB 4.35Å; V306-V333 HydrophobicContact CG1-CB 4.09Å; V306-V333 HydrophobicContact CG1-CG1 4.03Å; V306-V333 HydrophobicContact CG2-CB 4.02Å; V306-V333 HydrophobicContact CG2-CG2 4.22Å
307I73.1Confident68.3Low40 Ų4081.1 Ų81.121%0.20542%0.417CS..EExtended strand (participates in β ladder)trans-109.5119.2-178.5-58.2180000109.5L305 D309 Y332 V333 Y335L305-I307 HydrophobicContact CG-CG1 4.39Å; I307-D309 PolarHBondContact O-N 2.95Å; I307-Y332 HydrophobicContact CD1-CE2 4Å; I307-Y332 WeakPolarHBondContact CD1-OH 3.41Å; I307-V333 PolarHBondContact N-O 3.36Å; I307-Y335 PolarHBondContact O-N 3.24Å
308R72.6Confident70.2Confident163 Ų16371.3 Ų71.362%0.61538%0.379SS*.SBendtrans55.439.5172.5-62.2-167.6-176.3-164.87.4115.4Y335 H336R308-Y335 WeakPolarHBondContact O-CB 3.49Å; R308-H336 PolarHBondContact NH1-CE1 3.19Å; R308-H336 PolarHBondContact NH1-ND1 3.4Å; R308-H336 VanDerWaalsContact NH1-ND1 3.17Å; R308-H336 PolarHBondContact NH2-NE2 2.74Å
309D71.7Confident72.5Confident25 Ų2561.9 Ų61.913%0.13434%0.335CS..  trans-70.1159.6159.8-153.6-14.3000110V306 I307 M313 N315 S316 Y335V306-D309 HydrophobicContact CG1-CB 3.74Å; I307-D309 PolarHBondContact O-N 2.95Å; D309-M313 HydrophobicContact CB-SD 3.69Å; D309-M313 WeakPolarHBondContact OD2-CA 3.48Å; D309-N315 VanDerWaalsContact OD1-CB 3.24Å; D309-N315 WeakPolarHBondContact OD1-CB 3.48Å; D309-N315 PolarHBondContact OD1-N 2.86Å; D309-N315 PolarHBondContact OD1-ND2 3.5Å; D309-S316 VanDerWaalsContact OD2-CB 3.23Å; D309-S316 WeakPolarHBondContact OD2-CB 3.47Å; D309-S316 PolarHBondContact OD2-N 3Å; D309-S316 PolarHBondContact OD2-OG 2.99Å; D309-Y335 HydrophobicContact CB-CD2 4.22Å
310N75.6Confident74.8Confident44 Ų4458.7 Ų58.724%0.23531%0.31CS..  trans-63.7167.2176.661.967.3000111.2C312 M313 C314 N315N310-C312 PolarHBondContact O-N 3.4Å; N310-C312 PolarHBondContact OD1-N 2.96Å; N310-C312 VanDerWaalsContact OD1-N 3.12Å; N310-M313 PolarHBondContact O-N 3.33Å; N310-M313 PolarHBondContact OD1-N 3.02Å; N310-M313 VanDerWaalsContact OD1-N 3.12Å; N310-C314 VanDerWaalsContact ND2-CB 3.3Å; N310-C314 WeakPolarHBondContact ND2-CB 3.23Å; N310-C314 PolarHBondContact ND2-N 2.87Å; N310-C314 PolarHBondContact OD1-N 3.35Å; N310-N315 PolarHBondContact ND2-N 3.18Å; N310-N315 PolarHBondContact ND2-ND2 3.44Å
311C73.2Confident76.8Confident118 Ų11850.6 Ų50.680%0.79728%0.282SS*.THydrogen-bonded Turntrans-56.2-18.9-174.6580000115.2
312C77.2Confident79.1Confident21 Ų2147.6 Ų47.614%0.14226%0.259CS..THydrogen-bonded Turntrans-112.610.5179.1-34.10000113.5R294 C295 N310 C314R294-C312 PolarHBondContact N-O 3.17Å; C295-C312 HydrophobicContact CB-CB 3.5Å; C295-C312 VanDerWaalsContact CB-CB 3.5Å; C295-C312 WeakPolarHBondContact CB-SG 3.39Å; C295-C312 WeakPolarHBondContact SG-CB 3.43Å; C295-C312 CovalentContact SG-SG 2.04Å; C295-C312 PolarHBondContact SG-SG 3.33Å; N310-C312 PolarHBondContact O-N 3.4Å; N310-C312 PolarHBondContact OD1-N 2.96Å; N310-C312 VanDerWaalsContact OD1-N 3.12Å; C312-C314 PolarHBondContact O-N 3.39Å
313M83.5Confident81.2Confident64 Ų6441 Ų4132%0.31522%0.224SC..  trans57.226.6-174.1-58-77.6-7100113.8V306 D309 N310 N315 S316 V317V306-M313 HydrophobicContact CB-CE 3.93Å; V306-M313 HydrophobicContact CG1-CE 3.61Å; V306-M313 HydrophobicContact CG1-SD 3.97Å; V306-M313 HydrophobicContact CG2-CE 3.74Å; D309-M313 HydrophobicContact CB-SD 3.69Å; D309-M313 WeakPolarHBondContact OD2-CA 3.48Å; N310-M313 PolarHBondContact O-N 3.33Å; N310-M313 PolarHBondContact OD1-N 3.02Å; N310-M313 VanDerWaalsContact OD1-N 3.12Å; M313-N315 PolarHBondContact O-N 2.98Å; M313-N315 VanDerWaalsContact O-N 3.13Å; M313-S316 PolarHBondContact O-N 3.38Å; M313-V317 HydrophobicContact CB-CG2 4.5Å; M313-V317 VanDerWaalsContact O-CG2 3.32Å; M313-V317 WeakPolarHBondContact O-CG2 3.35Å; M313-V317 PolarHBondContact O-N 2.86Å
314C87.9Confident83Confident15 Ų1541.9 Ų41.910%0.10123%0.229CC..Hα-helixtrans-61.3-28-172.5-61.10000112.7W272 L289 N310 C312 A318W272-C314 HydrophobicContact CB-CB 3.95Å; W272-C314 HydrophobicContact CG-CB 3.95Å; L289-C314 HydrophobicContact CD1-CB 4.32Å; L289-C314 HydrophobicContact CD2-CB 4.27Å; N310-C314 VanDerWaalsContact ND2-CB 3.3Å; N310-C314 WeakPolarHBondContact ND2-CB 3.23Å; N310-C314 PolarHBondContact ND2-N 2.87Å; N310-C314 PolarHBondContact OD1-N 3.35Å; C312-C314 PolarHBondContact O-N 3.39Å; C314-A318 WeakPolarHBondContact O-CB 3.34Å; C314-A318 PolarHBondContact O-N 3.46Å
315N90.6Very high84.6Confident24 Ų2441.2 Ų41.213%0.12823%0.225CC..Hα-helixtrans-74.1-45.8-179.4-58.7-57.8000110.7W272 D309 N310 M313 V317 A318 F319 Y335W272-N315 VanDerWaalsContact CD1-OD1 3.26Å; W272-N315 PolarHBondContact N-OD1 3.17Å; D309-N315 VanDerWaalsContact OD1-CB 3.24Å; D309-N315 WeakPolarHBondContact OD1-CB 3.48Å; D309-N315 PolarHBondContact OD1-N 2.86Å; D309-N315 PolarHBondContact OD1-ND2 3.5Å; N310-N315 PolarHBondContact ND2-N 3.18Å; N310-N315 PolarHBondContact ND2-ND2 3.44Å; M313-N315 PolarHBondContact O-N 2.98Å; M313-N315 VanDerWaalsContact O-N 3.13Å; N315-V317 PolarHBondContact O-N 3.01Å; N315-A318 PolarHBondContact O-N 3.36Å; N315-F319 PolarHBondContact O-N 3.31Å; N315-Y335 HydrophobicContact CB-CD1 4.01Å; N315-Y335 HydrophobicContact CB-CD2 3.76Å; N315-Y335 HydrophobicContact CB-CE1 3.61Å; N315-Y335 HydrophobicContact CB-CE2 3.34Å; N315-Y335 HydrophobicContact CB-CG 4.08Å; N315-Y335 PolarHBondContact O-OH 3.4Å
316S90.7Very high85.7Confident4 Ų440 Ų403%0.02823%0.226CC..Hα-helixtrans-62.3-42.8175.2-53.90000111.6D309 M313 A318 F319 M320D309-S316 VanDerWaalsContact OD2-CB 3.23Å; D309-S316 WeakPolarHBondContact OD2-CB 3.47Å; D309-S316 PolarHBondContact OD2-N 3Å; D309-S316 PolarHBondContact OD2-OG 2.99Å; M313-S316 PolarHBondContact O-N 3.38Å; S316-A318 PolarHBondContact O-N 3.2Å; S316-F319 WeakPolarHBondContact O-CB 3.12Å; S316-F319 PolarHBondContact O-N 3.01Å; S316-M320 WeakPolarHBondContact O-CG 3.2Å; S316-M320 PolarHBondContact O-N 2.96Å
317V90.4Very high86.4Confident9 Ų941.2 Ų41.26%0.05523%0.228CC..Hα-helixtrans-62.3-43.8175.6174.70000111L289 H292 M313 N315 F319 M320 L321L289-V317 HydrophobicContact CD1-CB 4.31Å; L289-V317 HydrophobicContact CD1-CG1 4.02Å; H292-V317 HydrophobicContact CB-CG1 3.54Å; M313-V317 HydrophobicContact CB-CG2 4.5Å; M313-V317 VanDerWaalsContact O-CG2 3.32Å; M313-V317 WeakPolarHBondContact O-CG2 3.35Å; M313-V317 PolarHBondContact O-N 2.86Å; N315-V317 PolarHBondContact O-N 3.01Å; V317-F319 VanDerWaalsContact C-N 3.33Å; V317-F319 PolarHBondContact O-N 3.01Å; V317-M320 HydrophobicContact CB-CE 4.49Å; V317-M320 HydrophobicContact CG2-CE 4.14Å; V317-M320 PolarHBondContact O-N 2.77Å; V317-L321 HydrophobicContact CG1-CD1 3.87Å; V317-L321 HydrophobicContact CG1-CG 4.23Å; V317-L321 WeakPolarHBondContact O-CB 3.48Å; V317-L321 VanDerWaalsContact O-CG 3.26Å; V317-L321 WeakPolarHBondContact O-CG 3.23Å; V317-L321 PolarHBondContact O-N 2.83Å
318A92.9Very high87.1Confident1 Ų143.6 Ų43.61%0.00826%0.255CS..Hα-helixtrans-62.5-40.6175.600000112.2W272 Y275 L289 C314 N315 S316 L321 H322W272-A318 VanDerWaalsContact CA-CB 3.44Å; W272-A318 HydrophobicContact CB-CB 3.9Å; Y275-A318 HydrophobicContact CD1-CB 4.47Å; Y275-A318 HydrophobicContact CG-CB 4.16Å; L289-A318 HydrophobicContact CD1-CB 3.88Å; C314-A318 WeakPolarHBondContact O-CB 3.34Å; C314-A318 PolarHBondContact O-N 3.46Å; N315-A318 PolarHBondContact O-N 3.36Å; S316-A318 PolarHBondContact O-N 3.2Å; A318-L321 PolarHBondContact O-N 3.36Å; A318-H322 VanDerWaalsContact O-CB 3.22Å; A318-H322 WeakPolarHBondContact O-CB 3.34Å; A318-H322 PolarHBondContact O-N 3.49Å
319F94.4Very high88Confident0 Ų037.2 Ų37.20%023%0.233CC..Hα-helixtrans-57.7-54174.4179.1-86.6000110.5I265 V269 N315 S316 V317 L321 H322 T323 L325 L330 I345I265-F319 HydrophobicContact CG2-CE2 4.21Å; I265-F319 HydrophobicContact CG2-CZ 3.97Å; V269-F319 HydrophobicContact CG2-CD2 4.24Å; V269-F319 HydrophobicContact CG2-CE2 3.87Å; N315-F319 PolarHBondContact O-N 3.31Å; S316-F319 WeakPolarHBondContact O-CB 3.12Å; S316-F319 PolarHBondContact O-N 3.01Å; V317-F319 VanDerWaalsContact C-N 3.33Å; V317-F319 PolarHBondContact O-N 3.01Å; F319-L321 PolarHBondContact O-N 3.44Å; F319-H322 PolarHBondContact O-N 2.93Å; F319-H322 VanDerWaalsContact O-N 3.12Å; F319-T323 HydrophobicContact CD1-CG2 4.45Å; F319-T323 HydrophobicContact CD2-CG2 4.36Å; F319-T323 HydrophobicContact CE1-CG2 4.22Å; F319-T323 HydrophobicContact CE2-CG2 4.09Å; F319-T323 HydrophobicContact CZ-CG2 4.02Å; F319-T323 WeakPolarHBondContact O-CG2 3.18Å; F319-T323 PolarHBondContact O-N 3.43Å; F319-T323 PolarHBondContact O-OG1 2.98Å; F319-L325 HydrophobicContact CE1-CD1 3.85Å; F319-L325 HydrophobicContact CZ-CD1 4.2Å; F319-L330 HydrophobicContact CD1-CD1 4.3Å; F319-L330 HydrophobicContact CD1-CD2 4.07Å; F319-L330 HydrophobicContact CD1-CG 4.37Å; F319-L330 HydrophobicContact CE1-CD1 4.24Å; F319-L330 HydrophobicContact CE1-CD2 4.48Å; F319-L330 HydrophobicContact CE1-CG 4.32Å; F319-I345 HydrophobicContact CB-CD1 4.19Å; F319-I345 HydrophobicContact CD1-CD1 4.26Å; F319-I345 HydrophobicContact CD2-CD1 3.42Å; F319-I345 VanDerWaalsContact CD2-CD1 3.42Å; F319-I345 HydrophobicContact CE1-CG2 4.25Å; F319-I345 HydrophobicContact CE2-CB 4.43Å; F319-I345 HydrophobicContact CE2-CD1 3.81Å; F319-I345 HydrophobicContact CE2-CG2 4.34Å; F319-I345 HydrophobicContact CG-CD1 3.71Å; F319-I345 HydrophobicContact CZ-CD1 4.35Å; F319-I345 HydrophobicContact CZ-CG2 4Å
320M93.7Very high89.1Confident36 Ų3636.3 Ų36.318%0.17723%0.228CC..Hα-helixtrans-59.6-44.1178.6-68.9-176.5-68.100112.3S316 V317 H322 S324 E327 L330S316-M320 WeakPolarHBondContact O-CG 3.2Å; S316-M320 PolarHBondContact O-N 2.96Å; V317-M320 HydrophobicContact CB-CE 4.49Å; V317-M320 HydrophobicContact CG2-CE 4.14Å; V317-M320 PolarHBondContact O-N 2.77Å; M320-H322 VanDerWaalsContact C-N 3.25Å; M320-H322 PolarHBondContact O-N 2.93Å; M320-S324 VanDerWaalsContact O-CA 3.25Å; M320-S324 WeakPolarHBondContact O-CA 3.3Å; M320-S324 PolarHBondContact O-N 2.78Å; M320-E327 WeakPolarHBondContact SD-CA 3.24Å; M320-E327 HydrophobicContact SD-CB 3.67Å; M320-E327 HydrophobicContact SD-CG 4.21Å; M320-L330 HydrophobicContact CG-CD1 3.77Å; M320-L330 HydrophobicContact CG-CD2 4.08Å; M320-L330 HydrophobicContact SD-CD1 4.29Å
321L92.9Very high89.8Confident30 Ų3036.7 Ų36.716%0.15723%0.227CC..Hα-helixtrans-66.1-27.5178-74.4177.9000113.2Y275 K288 L289 V317 A318 F319Y275-L321 HydrophobicContact CE1-CB 4.38Å; Y275-L321 HydrophobicContact CE1-CD1 4.04Å; Y275-L321 HydrophobicContact CE2-CB 3.87Å; K288-L321 HydrophobicContact CD-CD2 4.19Å; K288-L321 HydrophobicContact CG-CD1 4.26Å; K288-L321 HydrophobicContact CG-CD2 4.26Å; L289-L321 HydrophobicContact CD1-CD1 4.48Å; V317-L321 HydrophobicContact CG1-CD1 3.87Å; V317-L321 HydrophobicContact CG1-CG 4.23Å; V317-L321 WeakPolarHBondContact O-CB 3.48Å; V317-L321 VanDerWaalsContact O-CG 3.26Å; V317-L321 WeakPolarHBondContact O-CG 3.23Å; V317-L321 PolarHBondContact O-N 2.83Å; A318-L321 PolarHBondContact O-N 3.36Å; F319-L321 PolarHBondContact O-N 3.44Å
322H92.4Very high90.7Very high30 Ų3031.2 Ų31.214%0.13919%0.19CC..Hα-helixtrans-82.5-46.6178.7-170.370.9000111.7E264 L267 Y274 Y275 A318 F319 M320E264-H322 PolarHBondContact O-CD2 3.48Å; L267-H322 WeakPolarHBondContact CB-NE2 3.24Å; Y274-H322 AromaticContact CE1-CE1 3.72Å; Y274-H322 AromaticContact CE1-NE2 3.92Å; Y275-H322 HydrophobicContact CD2-CB 4.04Å; Y275-H322 HydrophobicContact CE2-CB 4.43Å; A318-H322 VanDerWaalsContact O-CB 3.22Å; A318-H322 WeakPolarHBondContact O-CB 3.34Å; A318-H322 PolarHBondContact O-N 3.49Å; F319-H322 PolarHBondContact O-N 2.93Å; F319-H322 VanDerWaalsContact O-N 3.12Å; M320-H322 VanDerWaalsContact C-N 3.25Å; M320-H322 PolarHBondContact O-N 2.93Å
323T94.6Very high91.5Very high0 Ų030.2 Ų30.20%018%0.183CC..Hα-helixtrans-90.2-11.1-17463.10000113.5R261 I265 F319 L325R261-T323 PolarHBondContact NH1-O 2.99Å; R261-T323 PolarHBondContact NH2-O 3.18Å; I265-T323 HydrophobicContact CB-CG2 4.49Å; I265-T323 HydrophobicContact CG1-CG2 4.24Å; F319-T323 HydrophobicContact CD1-CG2 4.45Å; F319-T323 HydrophobicContact CD2-CG2 4.36Å; F319-T323 HydrophobicContact CE1-CG2 4.22Å; F319-T323 HydrophobicContact CE2-CG2 4.09Å; F319-T323 HydrophobicContact CZ-CG2 4.02Å; F319-T323 WeakPolarHBondContact O-CG2 3.18Å; F319-T323 PolarHBondContact O-N 3.43Å; F319-T323 PolarHBondContact O-OG1 2.98Å; T323-L325 PolarHBondContact O-N 2.67Å; T323-L325 PolarHBondContact OG1-N 3.38Å
324S93.8Very high91.9Very high104 Ų10427.2 Ų27.273%0.72717%0.168SC*.  trans58.222.8-171.9-50.30000114.1M320M320-S324 VanDerWaalsContact O-CA 3.25Å; M320-S324 WeakPolarHBondContact O-CA 3.3Å; M320-S324 PolarHBondContact O-N 2.78Å
325L93.9Very high91.9Very high12 Ų1227.3 Ų27.36%0.06317%0.167CC..  trans-79145.1171.4-69.5172.6000110.5F319 T323 D329 L330 C347F319-L325 HydrophobicContact CE1-CD1 3.85Å; F319-L325 HydrophobicContact CZ-CD1 4.2Å; T323-L325 PolarHBondContact O-N 2.67Å; T323-L325 PolarHBondContact OG1-N 3.38Å; L325-D329 HydrophobicContact CB-CB 4.49Å; L325-D329 HydrophobicContact CD2-CB 4.49Å; L325-L330 HydrophobicContact CB-CD1 4.3Å; L325-C347 HydrophobicContact CD1-CB 4.3Å
326A92Very high91.7Very high52 Ų5227.3 Ų27.343%0.4317%0.166SC..  trans-78.1157.1176.400000110.7A328 D329 L330A326-A328 PolarHBondContact O-N 3.05Å; A326-D329 WeakPolarHBondContact CB-OD2 3.3Å; A326-D329 PolarHBondContact N-OD2 2.84Å; A326-D329 WeakPolarHBondContact O-CB 3.22Å; A326-D329 PolarHBondContact O-N 2.92Å; A326-L330 WeakPolarHBondContact O-CD1 3.47Å
327E87.3Confident91.3Very high73 Ų7329 Ų2934%0.34118%0.175SC..G310 helixtrans-57.7-33.3176.4-171.9174.4-173.400112R294 M320 D329 L330R294-E327 IonicContact CZ-OE1 2.82Å; R294-E327 IonicContact CZ-OE2 2.92Å; R294-E327 IonicContact NH1-OE1 2.59Å; R294-E327 PolarHBondContact NH1-OE1 3.37Å; R294-E327 IonicContact NH1-OE2 2.98Å; R294-E327 IonicContact NH2-OE1 2.78Å; R294-E327 PolarHBondContact NH2-OE1 2.66Å; R294-E327 IonicContact NH2-OE2 3.47Å; R294-E327 PolarHBondContact NH2-OE2 3.38Å; M320-E327 WeakPolarHBondContact SD-CA 3.24Å; M320-E327 HydrophobicContact SD-CB 3.67Å; M320-E327 HydrophobicContact SD-CG 4.21Å; E327-D329 PolarHBondContact O-N 3.18Å; E327-L330 PolarHBondContact O-N 3.43Å
328A87.7Confident90.8Very high91 Ų9130.9 Ų30.975%0.75218%0.183SC*.G310 helixtrans-67.5-19.9176.600000113.8A326A326-A328 PolarHBondContact O-N 3.05Å
329D92.6Very high90Very high29 Ų2930.9 Ų30.916%0.15518%0.183CC..G310 helixtrans-88.2-10.6-179.6-54.4-31.5000111.8L325 A326 E327 C347 V348 H350L325-D329 HydrophobicContact CB-CB 4.49Å; L325-D329 HydrophobicContact CD2-CB 4.49Å; A326-D329 WeakPolarHBondContact CB-OD2 3.3Å; A326-D329 PolarHBondContact N-OD2 2.84Å; A326-D329 WeakPolarHBondContact O-CB 3.22Å; A326-D329 PolarHBondContact O-N 2.92Å; E327-D329 PolarHBondContact O-N 3.18Å; D329-C347 CarbonylContact O-C 3.51Å; D329-C347 WeakPolarHBondContact O-CA 3.49Å; D329-C347 VanDerWaalsContact O-CB 3.29Å; D329-C347 WeakPolarHBondContact O-CB 3.4Å; D329-V348 WeakPolarHBondContact CB-O 3.32Å; D329-V348 PolarHBondContact O-N 2.59Å; D329-H350 IonicContact OD1-CD2 3.53Å; D329-H350 IonicContact OD1-NE2 3.37Å; D329-H350 PolarHBondContact OD1-NE2 3.27Å
330L92.8Very high89.4Confident6 Ų631.8 Ų31.83%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-86.9121.6173.4-78.571.7000107.9V304 F319 M320 L325 A326 E327 V333V304-L330 HydrophobicContact CG1-CB 4.12Å; V304-L330 VanDerWaalsContact CG1-O 3.27Å; V304-L330 WeakPolarHBondContact CG1-O 3.16Å; V304-L330 WeakPolarHBondContact CG2-O 3.38Å; F319-L330 HydrophobicContact CD1-CD1 4.3Å; F319-L330 HydrophobicContact CD1-CD2 4.07Å; F319-L330 HydrophobicContact CD1-CG 4.37Å; F319-L330 HydrophobicContact CE1-CD1 4.24Å; F319-L330 HydrophobicContact CE1-CD2 4.48Å; F319-L330 HydrophobicContact CE1-CG 4.32Å; M320-L330 HydrophobicContact CG-CD1 3.77Å; M320-L330 HydrophobicContact CG-CD2 4.08Å; M320-L330 HydrophobicContact SD-CD1 4.29Å; L325-L330 HydrophobicContact CB-CD1 4.3Å; A326-L330 WeakPolarHBondContact O-CD1 3.47Å; E327-L330 PolarHBondContact O-N 3.43Å; L330-V333 HydrophobicContact CB-CG2 4.33Å; L330-V333 HydrophobicContact CD2-CG2 3.88Å
331F91.1Very high89.1Confident52 Ų5231.2 Ų31.223%0.22818%0.183CC..EExtended strand (participates in β ladder)trans-104.2-42.9-178.3-169.5-85.8000111.8L305 A346 V418 D421 L422 L425L305-F331 PolarHBondContact N-O 2.89Å; F331-A346 PolarHBondContact N-O 3.4Å; F331-V418 HydrophobicContact CD1-CG1 3.88Å; F331-V418 HydrophobicContact CE1-CG1 4.29Å; F331-D421 HydrophobicContact CE1-CB 4.19Å; F331-D421 HydrophobicContact CE2-CB 4.22Å; F331-D421 HydrophobicContact CZ-CB 3.47Å; F331-D421 VanDerWaalsContact CZ-CB 3.47Å; F331-L422 HydrophobicContact CB-CD1 4.06Å; F331-L422 HydrophobicContact CB-CD2 3.74Å; F331-L422 HydrophobicContact CB-CG 4.14Å; F331-L422 HydrophobicContact CD1-CD1 4.12Å; F331-L422 HydrophobicContact CD1-CD2 4.39Å; F331-L422 HydrophobicContact CD1-CG 3.98Å; F331-L422 HydrophobicContact CD2-CD2 3.54Å; F331-L422 HydrophobicContact CD2-CG 3.91Å; F331-L422 HydrophobicContact CE1-CG 4.38Å; F331-L422 HydrophobicContact CE2-CD2 4.25Å; F331-L422 HydrophobicContact CE2-CG 4.32Å; F331-L422 HydrophobicContact CG-CD1 4.04Å; F331-L422 HydrophobicContact CG-CD2 3.62Å; F331-L422 HydrophobicContact CG-CG 3.72Å; F331-L425 HydrophobicContact CE2-CD1 4.07Å
332Y92.9Very high88.9Confident2 Ų230 Ų301%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-138.1128.3179.9-170.8-94.8000110.5L305 I307 N334 F344 I345 A346 E416 V418L305-Y332 HydrophobicContact CB-CD2 3.99Å; L305-Y332 HydrophobicContact CB-CE2 4.37Å; L305-Y332 HydrophobicContact CD2-CD2 3.83Å; L305-Y332 HydrophobicContact CD2-CE2 3.49Å; L305-Y332 VanDerWaalsContact CD2-CE2 3.49Å; L305-Y332 HydrophobicContact CG-CD2 4.09Å; L305-Y332 HydrophobicContact CG-CE2 3.95Å; I307-Y332 HydrophobicContact CD1-CE2 4Å; I307-Y332 WeakPolarHBondContact CD1-OH 3.41Å; Y332-N334 HydrophobicContact CD1-CB 4.31Å; Y332-N334 HydrophobicContact CE1-CB 3.63Å; Y332-F344 HydrophobicContact CD1-CD2 4.42Å; Y332-F344 AromaticContact CD1-CE2 3.63Å; Y332-F344 HydrophobicContact CD1-CE2 3.63Å; Y332-F344 AromaticContact CD1-CZ 3.95Å; Y332-F344 HydrophobicContact CD1-CZ 3.95Å; Y332-F344 HydrophobicContact CE1-CE1 4.27Å; Y332-F344 AromaticContact CE1-CE2 3.67Å; Y332-F344 HydrophobicContact CE1-CE2 3.67Å; Y332-F344 AromaticContact CE1-CZ 3.46Å; Y332-F344 HydrophobicContact CE1-CZ 3.46Å; Y332-F344 VanDerWaalsContact CE1-CZ 3.46Å; Y332-I345 CarbonylContact O-C 3.54Å; Y332-I345 WeakPolarHBondContact O-CA 3.35Å; Y332-A346 PolarHBondContact N-O 2.92Å; Y332-A346 VanDerWaalsContact N-O 3.11Å; Y332-A346 PolarHBondContact O-N 3.31Å; Y332-E416 HydrophobicContact CE2-CB 4.1Å; Y332-E416 HydrophobicContact CE2-CG 3.83Å; Y332-V418 HydrophobicContact CD2-CG2 3.69Å; Y332-V418 HydrophobicContact CE2-CG2 4.24Å; Y332-V418 HydrophobicContact CG-CG2 3.84Å
333V92.7Very high89Confident0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-128.3117179.9178.10000108.8V304 L305 V306 I307 L330 Y335 I345V304-V333 HydrophobicContact CG1-CG2 4.14Å; L305-V333 PolarHBondContact O-N 2.81Å; V306-V333 CarbonylContact C-O 3.55Å; V306-V333 WeakPolarHBondContact CA-O 3.23Å; V306-V333 HydrophobicContact CB-CB 4.35Å; V306-V333 HydrophobicContact CG1-CB 4.09Å; V306-V333 HydrophobicContact CG1-CG1 4.03Å; V306-V333 HydrophobicContact CG2-CB 4.02Å; V306-V333 HydrophobicContact CG2-CG2 4.22Å; I307-V333 PolarHBondContact N-O 3.36Å; L330-V333 HydrophobicContact CB-CG2 4.33Å; L330-V333 HydrophobicContact CD2-CG2 3.88Å; V333-Y335 HydrophobicContact CG1-CD2 3.45Å; V333-Y335 VanDerWaalsContact CG1-CD2 3.45Å; V333-Y335 HydrophobicContact CG1-CE2 3.34Å; V333-I345 HydrophobicContact CB-CG1 4.4Å; V333-I345 HydrophobicContact CG1-CD1 4.27Å; V333-I345 HydrophobicContact CG1-CG1 4.04Å; V333-I345 HydrophobicContact CG2-CG1 4.28Å; V333-I345 HydrophobicContact CG2-CG2 4.44Å
334N91.9Very high89Confident1 Ų128.5 Ų28.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-122.7107.4176.1-177.67.1000110.5Y332 H336 P343 F344 Y408Y332-N334 HydrophobicContact CD1-CB 4.31Å; Y332-N334 HydrophobicContact CE1-CB 3.63Å; N334-H336 WeakPolarHBondContact OD1-CB 3.38Å; N334-H336 PolarHBondContact OD1-N 2.96Å; N334-P343 CarbonylContact O-C 3.56Å; N334-P343 WeakPolarHBondContact O-CA 3.45Å; N334-P343 WeakPolarHBondContact O-CB 3.25Å; N334-F344 HydrophobicContact CB-CD1 4.28Å; N334-F344 HydrophobicContact CB-CE1 4.13Å; N334-F344 HydrophobicContact CB-CZ 4.5Å; N334-F344 PolarHBondContact N-O 3.42Å; N334-F344 PolarHBondContact O-N 2.98Å; N334-Y408 PolarHBondContact ND2-OH 3.1Å
335Y88.5Confident89.1Confident17 Ų1723.6 Ų23.67%0.06714%0.135CC..  trans-100.112.4173.4-78.4-67.8000113.2V269 I307 R308 D309 N315 V333 N337 P343 I345V269-Y335 WeakPolarHBondContact O-CE1 3.35Å; I307-Y335 PolarHBondContact O-N 3.24Å; R308-Y335 WeakPolarHBondContact O-CB 3.49Å; D309-Y335 HydrophobicContact CB-CD2 4.22Å; N315-Y335 HydrophobicContact CB-CD1 4.01Å; N315-Y335 HydrophobicContact CB-CD2 3.76Å; N315-Y335 HydrophobicContact CB-CE1 3.61Å; N315-Y335 HydrophobicContact CB-CE2 3.34Å; N315-Y335 HydrophobicContact CB-CG 4.08Å; N315-Y335 PolarHBondContact O-OH 3.4Å; V333-Y335 HydrophobicContact CG1-CD2 3.45Å; V333-Y335 VanDerWaalsContact CG1-CD2 3.45Å; V333-Y335 HydrophobicContact CG1-CE2 3.34Å; Y335-N337 PolarHBondContact O-N 3.31Å; Y335-P343 HydrophobicContact CD1-CB 4.21Å; Y335-I345 HydrophobicContact CE2-CD1 4.21Å; Y335-I345 WeakPolarHBondContact OH-CD1 3.44Å
336H86.1Confident89.3Confident25 Ų2523 Ų2312%0.11613%0.132CC..  trans-61.6122.1170.7-1693.4000110R308 N334 E338 E341R308-H336 PolarHBondContact NH1-CE1 3.19Å; R308-H336 PolarHBondContact NH1-ND1 3.4Å; R308-H336 VanDerWaalsContact NH1-ND1 3.17Å; R308-H336 PolarHBondContact NH2-NE2 2.74Å; N334-H336 WeakPolarHBondContact OD1-CB 3.38Å; N334-H336 PolarHBondContact OD1-N 2.96Å; H336-E338 VanDerWaalsContact CE1-CG 3.43Å; H336-E338 WeakPolarHBondContact CE1-CG 3.22Å; H336-E341 IonicContact CD2-OE2 2.85Å; H336-E341 PolarHBondContact CD2-OE2 3.11Å; H336-E341 VanDerWaalsContact CD2-OE2 3.3Å; H336-E341 IonicContact CE1-OE2 3Å; H336-E341 IonicContact NE2-OE2 2.82Å; H336-E341 PolarHBondContact NE2-OE2 3.43Å; H336-E341 VanDerWaalsContact NE2-OE2 3.14Å
337N81.7Confident89.5Confident40 Ų4020.5 Ų20.521%0.21411%0.112CC..  trans-123110.5177.6-173.921.2000110.7Y335 P343 R360 S364 D367Y335-N337 PolarHBondContact O-N 3.31Å; N337-P343 HydrophobicContact CB-CG 3.97Å; N337-R360 PolarHBondContact ND2-NH2 3.44Å; N337-S364 PolarHBondContact ND2-OG 3.49Å; N337-S364 VanDerWaalsContact ND2-OG 3.12Å; N337-D367 PolarHBondContact OD1-OD1 3.08Å
338E80.5Confident89.9Confident48 Ų4817.3 Ų17.322%0.22410%0.097CC..BIsolated β-bridgetrans-141.6174.6172-85.2-67.1144.400108.9H336 W340 E341 R366H336-E338 VanDerWaalsContact CE1-CG 3.43Å; H336-E338 WeakPolarHBondContact CE1-CG 3.22Å; E338-W340 PolarHBondContact O-N 3.49Å; E338-E341 HydrophobicContact CB-CB 4.04Å; E338-E341 HydrophobicContact CB-CG 4.29Å; E338-E341 PolarHBondContact N-O 3.21Å; E338-E341 CarbonylContact O-C 3.56Å; E338-E341 PolarHBondContact O-N 3.35Å; E338-R366 IonicContact OE1-CZ 3.06Å; E338-R366 VanDerWaalsContact OE1-CZ 3.31Å; E338-R366 IonicContact OE1-NH1 2.74Å; E338-R366 PolarHBondContact OE1-NH1 3.02Å; E338-R366 IonicContact OE1-NH2 2.8Å; E338-R366 PolarHBondContact OE1-NH2 2.91Å; E338-R366 IonicContact OE2-CZ 3.72Å; E338-R366 IonicContact OE2-NH1 2.8Å; E338-R366 PolarHBondContact OE2-NH1 3.43Å; E338-R366 IonicContact OE2-NH2 3.72Å
339I76.7Confident90.4Very high1 Ų113 Ų131%0.0056%0.062CC..THydrogen-bonded Turntrans-67.1125.6-178.9-72.6170000110.6R196 S197 A200 E341 R366 L369R196-I339 HydrophobicContact CB-CB 4.23Å; R196-I339 HydrophobicContact CB-CG2 4.19Å; S197-I339 WeakPolarHBondContact OG-CD1 3.36Å; A200-I339 HydrophobicContact CB-CD1 4.19Å; A200-I339 HydrophobicContact CB-CG2 3.88Å; I339-E341 PolarHBondContact O-N 3.04Å; I339-R366 HydrophobicContact CD1-CB 4.48Å; I339-R366 HydrophobicContact CD1-CG 4.36Å; I339-R366 HydrophobicContact CG1-CB 3.75Å; I339-R366 HydrophobicContact CG1-CG 3.99Å; I339-L369 HydrophobicContact CD1-CD1 4.46Å
340W81.8Confident90.6Very high19 Ų1915.5 Ų15.57%0.0727%0.072CC..THydrogen-bonded Turntrans63.814-169.8-38-48.1000114.7R196 M199 A200 E338 K404 S405R196-W340 HydrophobicContact CB-CE3 4.14Å; R196-W340 HydrophobicContact CB-CH2 4.17Å; R196-W340 HydrophobicContact CB-CZ3 3.75Å; R196-W340 HydrophobicContact CG-CE3 4.08Å; R196-W340 HydrophobicContact CG-CH2 4.49Å; R196-W340 HydrophobicContact CG-CZ3 3.68Å; M199-W340 HydrophobicContact CB-CH2 3.85Å; M199-W340 HydrophobicContact CB-CZ2 4.22Å; M199-W340 HydrophobicContact CE-CH2 4.28Å; M199-W340 HydrophobicContact SD-CH2 4.09Å; A200-W340 HydrophobicContact CB-CZ2 4.5Å; E338-W340 PolarHBondContact O-N 3.49Å; W340-K404 HydrophobicContact CB-CB 3.88Å; W340-K404 HydrophobicContact CD2-CB 4.38Å; W340-K404 HydrophobicContact CD2-CD 3.63Å; W340-K404 HydrophobicContact CE3-CD 3.71Å; W340-K404 HydrophobicContact CG-CB 4.01Å; W340-K404 HydrophobicContact CG-CD 4.09Å; W340-K404 HydrophobicContact CH2-CD 4.37Å; W340-K404 VanDerWaalsContact CH2-NZ 3.35Å; W340-K404 HydrophobicContact CZ2-CD 4.3Å; W340-K404 HydrophobicContact CZ3-CD 4.08Å; W340-S405 WeakPolarHBondContact CA-OG 3.26Å; W340-S405 VanDerWaalsContact O-CA 3.3Å; W340-S405 WeakPolarHBondContact O-CA 3.25Å
341E87.8Confident90.7Very high23 Ų2319.5 Ų19.511%0.10710%0.1CC..BIsolated β-bridgetrans-121.387.2175.4-59.3-167.4179.700108.1R196 H336 E338 I339 Y408R196-E341 IonicContact CZ-OE1 2.69Å; R196-E341 VanDerWaalsContact CZ-OE1 3.24Å; R196-E341 IonicContact NH1-OE1 3.53Å; R196-E341 PolarHBondContact NH1-OE1 3.14Å; R196-E341 IonicContact NH2-OE1 2.84Å; R196-E341 PolarHBondContact NH2-OE1 3.14Å; R196-E341 VanDerWaalsContact NH2-OE1 3.13Å; H336-E341 IonicContact CD2-OE2 2.85Å; H336-E341 PolarHBondContact CD2-OE2 3.11Å; H336-E341 VanDerWaalsContact CD2-OE2 3.3Å; H336-E341 IonicContact CE1-OE2 3Å; H336-E341 IonicContact NE2-OE2 2.82Å; H336-E341 PolarHBondContact NE2-OE2 3.43Å; H336-E341 VanDerWaalsContact NE2-OE2 3.14Å; E338-E341 HydrophobicContact CB-CB 4.04Å; E338-E341 HydrophobicContact CB-CG 4.29Å; E338-E341 PolarHBondContact N-O 3.21Å; E338-E341 CarbonylContact O-C 3.56Å; E338-E341 PolarHBondContact O-N 3.35Å; I339-E341 PolarHBondContact O-N 3.04Å; E341-Y408 HydrophobicContact CB-CD1 4.16Å; E341-Y408 HydrophobicContact CB-CD2 4.14Å; E341-Y408 HydrophobicContact CB-CE1 3.92Å; E341-Y408 HydrophobicContact CB-CE2 3.86Å; E341-Y408 HydrophobicContact CB-CG 4.26Å; E341-Y408 VanDerWaalsContact CD-CE2 3.45Å; E341-Y408 HydrophobicContact CG-CD1 4.47Å; E341-Y408 HydrophobicContact CG-CD2 3.63Å; E341-Y408 HydrophobicContact CG-CE1 4.48Å; E341-Y408 HydrophobicContact CG-CE2 3.6Å; E341-Y408 HydrophobicContact CG-CG 4.06Å
342T88.8Confident90.9Very high4 Ų418.5 Ų18.53%0.02510%0.099CC..  trans-84.9138.9-177.2-171.20000111.4I359 R360 V409 V442T342-I359 HydrophobicContact CG2-CG2 3.43Å; T342-I359 VanDerWaalsContact CG2-CG2 3.43Å; T342-R360 PolarHBondContact OG1-O 3.46Å; T342-V409 HydrophobicContact CG2-CG2 4.05Å; T342-V442 HydrophobicContact CG2-CG1 4.22Å
343P92.7Very high91Very high0 Ų024.8 Ų24.80%012%0.123CC..  trans-57.7143.5169-28.837.7000113.3N334 Y335 N337 R360N334-P343 CarbonylContact O-C 3.56Å; N334-P343 WeakPolarHBondContact O-CA 3.45Å; N334-P343 WeakPolarHBondContact O-CB 3.25Å; Y335-P343 HydrophobicContact CD1-CB 4.21Å; N337-P343 HydrophobicContact CB-CG 3.97Å; P343-R360 HydrophobicContact CB-CB 3.99Å; P343-R360 WeakPolarHBondContact O-CB 3.39Å; P343-R360 PolarHBondContact O-N 3.09Å
344F96.1Very high91.3Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-154.3159.817470.9-86000112Y332 N334 V357 A358 I359 Y408 V409 K412 L413Y332-F344 HydrophobicContact CD1-CD2 4.42Å; Y332-F344 AromaticContact CD1-CE2 3.63Å; Y332-F344 HydrophobicContact CD1-CE2 3.63Å; Y332-F344 AromaticContact CD1-CZ 3.95Å; Y332-F344 HydrophobicContact CD1-CZ 3.95Å; Y332-F344 HydrophobicContact CE1-CE1 4.27Å; Y332-F344 AromaticContact CE1-CE2 3.67Å; Y332-F344 HydrophobicContact CE1-CE2 3.67Å; Y332-F344 AromaticContact CE1-CZ 3.46Å; Y332-F344 HydrophobicContact CE1-CZ 3.46Å; Y332-F344 VanDerWaalsContact CE1-CZ 3.46Å; N334-F344 HydrophobicContact CB-CD1 4.28Å; N334-F344 HydrophobicContact CB-CE1 4.13Å; N334-F344 HydrophobicContact CB-CZ 4.5Å; N334-F344 PolarHBondContact N-O 3.42Å; N334-F344 PolarHBondContact O-N 2.98Å; F344-V357 HydrophobicContact CD2-CG1 4.19Å; F344-A358 CarbonylContact C-O 3.51Å; F344-A358 WeakPolarHBondContact CA-O 3.28Å; F344-A358 WeakPolarHBondContact CB-O 3.18Å; F344-I359 HydrophobicContact CB-CB 4.44Å; F344-I359 HydrophobicContact CB-CG1 4.08Å; F344-Y408 HydrophobicContact CE1-CE1 4.32Å; F344-V409 HydrophobicContact CD1-CB 4.43Å; F344-V409 HydrophobicContact CD1-CG1 4.15Å; F344-V409 HydrophobicContact CD1-CG2 3.81Å; F344-V409 HydrophobicContact CD2-CG1 4.24Å; F344-V409 HydrophobicContact CE1-CB 4.32Å; F344-V409 HydrophobicContact CE1-CG1 4.13Å; F344-V409 HydrophobicContact CE1-CG2 4.08Å; F344-V409 HydrophobicContact CE2-CG1 4.23Å; F344-V409 HydrophobicContact CG-CG1 4.19Å; F344-V409 HydrophobicContact CG-CG2 4.39Å; F344-V409 HydrophobicContact CZ-CG1 4.16Å; F344-K412 HydrophobicContact CE1-CB 4.06Å; F344-K412 HydrophobicContact CE1-CG 4.47Å; F344-K412 HydrophobicContact CZ-CB 3.69Å; F344-L413 HydrophobicContact CE2-CD2 3.77Å; F344-L413 HydrophobicContact CE2-CG 4.11Å; F344-L413 HydrophobicContact CZ-CD2 4.47Å; F344-L413 HydrophobicContact CZ-CG 4.43Å
345I96.3Very high91.6Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-127.7135.2176.7-69.4173.5000108.8V269 F319 Y332 V333 Y335 C347 V357 A358V269-I345 HydrophobicContact CG1-CG1 4.49Å; F319-I345 HydrophobicContact CB-CD1 4.19Å; F319-I345 HydrophobicContact CD1-CD1 4.26Å; F319-I345 HydrophobicContact CD2-CD1 3.42Å; F319-I345 VanDerWaalsContact CD2-CD1 3.42Å; F319-I345 HydrophobicContact CE1-CG2 4.25Å; F319-I345 HydrophobicContact CE2-CB 4.43Å; F319-I345 HydrophobicContact CE2-CD1 3.81Å; F319-I345 HydrophobicContact CE2-CG2 4.34Å; F319-I345 HydrophobicContact CG-CD1 3.71Å; F319-I345 HydrophobicContact CZ-CD1 4.35Å; F319-I345 HydrophobicContact CZ-CG2 4Å; Y332-I345 CarbonylContact O-C 3.54Å; Y332-I345 WeakPolarHBondContact O-CA 3.35Å; V333-I345 HydrophobicContact CB-CG1 4.4Å; V333-I345 HydrophobicContact CG1-CD1 4.27Å; V333-I345 HydrophobicContact CG1-CG1 4.04Å; V333-I345 HydrophobicContact CG2-CG1 4.28Å; V333-I345 HydrophobicContact CG2-CG2 4.44Å; Y335-I345 HydrophobicContact CE2-CD1 4.21Å; Y335-I345 WeakPolarHBondContact OH-CD1 3.44Å; I345-C347 HydrophobicContact CG2-CB 4.13Å; I345-V357 CarbonylContact O-C 3.54Å; I345-V357 WeakPolarHBondContact O-CA 3.41Å; I345-A358 PolarHBondContact N-O 3.31Å; I345-A358 PolarHBondContact O-N 3.23Å
346A96.9Very high92Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-105.3124.2163.800000109F331 Y332 V356 V357 L413 V418 L422F331-A346 PolarHBondContact N-O 3.4Å; Y332-A346 PolarHBondContact N-O 2.92Å; Y332-A346 VanDerWaalsContact N-O 3.11Å; Y332-A346 PolarHBondContact O-N 3.31Å; A346-V356 WeakPolarHBondContact CA-O 3.47Å; A346-V357 HydrophobicContact CB-CG2 4.28Å; A346-L413 HydrophobicContact CB-CD2 4.5Å; A346-V418 HydrophobicContact CB-CG1 3.61Å; A346-L422 HydrophobicContact CB-CD1 4.31Å
347C96.3Very high92.6Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-143.2166.9-176.661.20000111.3L325 D329 I345 V356L325-C347 HydrophobicContact CD1-CB 4.3Å; D329-C347 CarbonylContact O-C 3.51Å; D329-C347 WeakPolarHBondContact O-CA 3.49Å; D329-C347 VanDerWaalsContact O-CB 3.29Å; D329-C347 WeakPolarHBondContact O-CB 3.4Å; I345-C347 HydrophobicContact CG2-CB 4.13Å; C347-V356 PolarHBondContact N-O 3.48Å; C347-V356 PolarHBondContact O-N 2.85Å
348V97Very high93.4Very high5 Ų522 Ų223%0.0311%0.11CC..EExtended strand (participates in β ladder)trans-106.5127.1175.7-175.70000108.8D329 H350 L422 Y429D329-V348 WeakPolarHBondContact CB-O 3.32Å; D329-V348 PolarHBondContact O-N 2.59Å; V348-H350 VanDerWaalsContact CG1-CE1 3.45Å; V348-H350 WeakPolarHBondContact CG1-CE1 3.49Å; V348-L422 HydrophobicContact CG2-CD2 3.56Å; V348-Y429 HydrophobicContact CG1-CD1 3.97Å; V348-Y429 HydrophobicContact CG1-CE1 3.66Å
349D97.2Very high94.2Very high2 Ų219.8 Ų19.81%0.01110%0.099CC..EExtended strand (participates in β ladder)trans-109.793.2172.6-178.434.3000109.7R261 I265 S351 T352 R353 N354 V356R261-D349 IonicContact CZ-OD1 3.89Å; R261-D349 IonicContact NE-OD1 2.67Å; R261-D349 PolarHBondContact NE-OD1 2.86Å; R261-D349 IonicContact NE-OD2 3.86Å; R261-D349 PolarHBondContact NE-OD2 3.18Å; R261-D349 IonicContact NH2-OD1 3.13Å; R261-D349 PolarHBondContact NH2-OD1 3.36Å; I265-D349 HydrophobicContact CD1-CB 4.15Å; D349-S351 VanDerWaalsContact CG-OG 3.25Å; D349-S351 PolarHBondContact O-N 3.49Å; D349-S351 PolarHBondContact OD1-OG 3.21Å; D349-S351 PolarHBondContact OD2-OG 3.39Å; D349-S351 VanDerWaalsContact OD2-OG 3.12Å; D349-T352 PolarHBondContact O-N 3.46Å; D349-T352 PolarHBondContact O-OG1 2.89Å; D349-T352 WeakPolarHBondContact OD2-CB 3.13Å; D349-T352 WeakPolarHBondContact OD2-CG2 3.5Å; D349-T352 PolarHBondContact OD2-OG1 3.16Å; D349-R353 PolarHBondContact O-N 3.36Å; D349-N354 PolarHBondContact N-O 3.01Å; D349-N354 PolarHBondContact O-N 2.82Å; D349-V356 HydrophobicContact CB-CG2 4.09Å
350H96.6Very high95Very high81 Ų8120.8 Ų20.838%0.37510%0.103SC..THydrogen-bonded Turntrans-60.4-27.9179.8-66.1-56.5000113.1D329 V348 T352 R353 H426 Y429D329-H350 IonicContact OD1-CD2 3.53Å; D329-H350 IonicContact OD1-NE2 3.37Å; D329-H350 PolarHBondContact OD1-NE2 3.27Å; V348-H350 VanDerWaalsContact CG1-CE1 3.45Å; V348-H350 WeakPolarHBondContact CG1-CE1 3.49Å; H350-T352 VanDerWaalsContact C-N 3.27Å; H350-T352 PolarHBondContact O-N 3.34Å; H350-R353 PolarHBondContact O-N 3.48Å; H350-H426 AromaticContact CE1-CE1 3.74Å; H350-Y429 AromaticContact ND1-CE1 3.59Å; H350-Y429 AromaticContact ND1-CZ 3.58Å; H350-Y429 PolarHBondContact ND1-OH 2.95Å
351S94.6Very high95.3Very high89 Ų8919.9 Ų19.962%0.62210%0.099SC*.THydrogen-bonded Turntrans-64.5-32.9179.873.80000112.8D349D349-S351 VanDerWaalsContact CG-OG 3.25Å; D349-S351 PolarHBondContact O-N 3.49Å; D349-S351 PolarHBondContact OD1-OG 3.21Å; D349-S351 PolarHBondContact OD2-OG 3.39Å; D349-S351 VanDerWaalsContact OD2-OG 3.12Å
352T94.9Very high94.9Very high31 Ų3120.2 Ų20.219%0.1910%0.104CC..THydrogen-bonded Turntrans-107-5.3178.163.70000113.1L258 R261 F262 D349 H350 N354L258-T352 HydrophobicContact CD2-CG2 3.5Å; R261-T352 HydrophobicContact CG-CG2 3.97Å; F262-T352 HydrophobicContact CZ-CG2 4.41Å; D349-T352 PolarHBondContact O-N 3.46Å; D349-T352 PolarHBondContact O-OG1 2.89Å; D349-T352 WeakPolarHBondContact OD2-CB 3.13Å; D349-T352 WeakPolarHBondContact OD2-CG2 3.5Å; D349-T352 PolarHBondContact OD2-OG1 3.16Å; H350-T352 VanDerWaalsContact C-N 3.27Å; H350-T352 PolarHBondContact O-N 3.34Å; T352-N354 VanDerWaalsContact CB-ND2 3.28Å; T352-N354 WeakPolarHBondContact CB-ND2 3.44Å; T352-N354 PolarHBondContact O-ND2 3.46Å; T352-N354 PolarHBondContact OG1-ND2 3.27Å
353R96.6Very high93.7Very high135 Ų13524.9 Ų24.951%0.50913%0.125SC..THydrogen-bonded Turntrans56.245.9-172.8-61.4-17960.2166.80.7112.8D349 H350 D428 Y429 G430D349-R353 PolarHBondContact O-N 3.36Å; H350-R353 PolarHBondContact O-N 3.48Å; R353-D428 VanDerWaalsContact NH2-CB 3.35Å; R353-D428 IonicContact NH2-OD2 3.96Å; R353-Y429 HydrophobicContact CB-CD1 4.34Å; R353-Y429 HydrophobicContact CB-CE1 4.29Å; R353-Y429 HydrophobicContact CB-CG 4.45Å; R353-Y429 WeakPolarHBondContact O-CA 3.36Å; R353-Y429 WeakPolarHBondContact O-CB 3.28Å; R353-G430 PolarHBondContact O-N 2.98Å
354N97.5Very high91.9Very high25 Ų2526.5 Ų26.513%0.13414%0.136CC..EExtended strand (participates in β ladder)trans-126.8143.9177.2-62.1-74.5000112.4D349 T352 V356 G430 V432D349-N354 PolarHBondContact N-O 3.01Å; D349-N354 PolarHBondContact O-N 2.82Å; T352-N354 VanDerWaalsContact CB-ND2 3.28Å; T352-N354 WeakPolarHBondContact CB-ND2 3.44Å; T352-N354 PolarHBondContact O-ND2 3.46Å; T352-N354 PolarHBondContact OG1-ND2 3.27Å; N354-V356 HydrophobicContact CB-CG2 4.12Å; N354-G430 CarbonylContact C-O 3.52Å; N354-G430 VanDerWaalsContact CA-O 3.3Å; N354-G430 WeakPolarHBondContact CA-O 3.3Å; N354-G430 WeakPolarHBondContact OD1-CA 3.4Å; N354-V432 HydrophobicContact CB-CB 4.49Å; N354-V432 HydrophobicContact CB-CG2 3.96Å
355I98Very high89.2Confident0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-77.8126.2156-65.1158.8000106.8L419 L422 F423 G430 L431 V432I355-L419 HydrophobicContact CG2-CD2 4.28Å; I355-L422 HydrophobicContact CD1-CB 3.76Å; I355-L422 HydrophobicContact CG1-CB 4.17Å; I355-L422 HydrophobicContact CG2-CB 4.35Å; I355-L422 HydrophobicContact CG2-CD1 3.72Å; I355-F423 HydrophobicContact CD1-CD1 3.75Å; I355-F423 HydrophobicContact CD1-CD2 4.26Å; I355-F423 HydrophobicContact CD1-CE1 3.85Å; I355-F423 HydrophobicContact CD1-CE2 4.33Å; I355-F423 HydrophobicContact CD1-CG 3.98Å; I355-F423 HydrophobicContact CD1-CZ 4.16Å; I355-G430 PolarHBondContact N-O 3.47Å; I355-L431 HydrophobicContact CB-CD1 4.25Å; I355-L431 HydrophobicContact CG2-CD1 3.92Å; I355-V432 PolarHBondContact O-N 3.17Å
356V98.2Very high87.2Confident0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-119.3122.1-174.7-171.80000110.5F262 I265 A346 C347 D349 N354 V432 T434F262-V356 HydrophobicContact CD1-CG1 4.42Å; F262-V356 HydrophobicContact CD1-CG2 4.24Å; F262-V356 HydrophobicContact CE1-CG2 3.85Å; I265-V356 HydrophobicContact CD1-CG1 4.46Å; I265-V356 HydrophobicContact CD1-CG2 4.3Å; I265-V356 HydrophobicContact CG2-CG1 3.96Å; A346-V356 WeakPolarHBondContact CA-O 3.47Å; C347-V356 PolarHBondContact N-O 3.48Å; C347-V356 PolarHBondContact O-N 2.85Å; D349-V356 HydrophobicContact CB-CG2 4.09Å; N354-V356 HydrophobicContact CB-CG2 4.12Å; V356-V432 CarbonylContact C-O 3.5Å; V356-V432 VanDerWaalsContact CA-O 3.27Å; V356-V432 WeakPolarHBondContact CA-O 3.5Å; V356-V432 HydrophobicContact CG2-CB 4.45Å; V356-T434 HydrophobicContact CG1-CG2 3.81Å
357V98.4Very high85.3Confident0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-101.7106.1167.7-179.30000108.4F344 I345 A346 I359 L413 L419 L431 V432 V433 T434F344-V357 HydrophobicContact CD2-CG1 4.19Å; I345-V357 CarbonylContact O-C 3.54Å; I345-V357 WeakPolarHBondContact O-CA 3.41Å; A346-V357 HydrophobicContact CB-CG2 4.28Å; V357-I359 HydrophobicContact CG1-CG1 4.29Å; V357-L413 HydrophobicContact CG1-CD1 4.32Å; V357-L413 HydrophobicContact CG2-CD1 4.38Å; V357-L413 HydrophobicContact CG2-CD2 4.38Å; V357-L419 HydrophobicContact CG2-CD2 4.04Å; V357-L431 HydrophobicContact CG2-CD1 4.42Å; V357-V432 PolarHBondContact N-O 2.91Å; V357-V433 HydrophobicContact CB-CG1 4.22Å; V357-V433 HydrophobicContact CG1-CG1 4.35Å; V357-V433 CarbonylContact O-C 3.55Å; V357-V433 WeakPolarHBondContact O-CA 3.35Å; V357-T434 PolarHBondContact O-N 3.49Å
358A98Very high83.5Confident0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-103.6123.7-17800000110.7I265 V269 F344 I345 T434I265-A358 HydrophobicContact CG2-CB 3.75Å; V269-A358 HydrophobicContact CG2-CB 3.42Å; V269-A358 VanDerWaalsContact CG2-CB 3.42Å; F344-A358 CarbonylContact C-O 3.51Å; F344-A358 WeakPolarHBondContact CA-O 3.28Å; F344-A358 WeakPolarHBondContact CB-O 3.18Å; I345-A358 PolarHBondContact N-O 3.31Å; I345-A358 PolarHBondContact O-N 3.23Å; A358-T434 WeakPolarHBondContact CA-O 3.4Å; A358-T434 HydrophobicContact CB-CG2 4.01Å
359I97.4Very high81.5Confident0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-111.7131.4-171.9-54-176.7000110.1T342 F344 V357 V409 V433 T434 G435 V442 A443 V446T342-I359 HydrophobicContact CG2-CG2 3.43Å; T342-I359 VanDerWaalsContact CG2-CG2 3.43Å; F344-I359 HydrophobicContact CB-CB 4.44Å; F344-I359 HydrophobicContact CB-CG1 4.08Å; V357-I359 HydrophobicContact CG1-CG1 4.29Å; I359-V409 HydrophobicContact CD1-CG1 4.22Å; I359-V409 HydrophobicContact CD1-CG2 4.4Å; I359-V433 HydrophobicContact CD1-CG1 4.01Å; I359-V433 HydrophobicContact CG1-CG1 4.47Å; I359-T434 PolarHBondContact N-O 3.28Å; I359-G435 WeakPolarHBondContact O-CA 3.48Å; I359-V442 HydrophobicContact CD1-CB 4.49Å; I359-V442 HydrophobicContact CD1-CG1 3.91Å; I359-V442 HydrophobicContact CG2-CB 4.17Å; I359-V442 HydrophobicContact CG2-CG1 4.06Å; I359-A443 HydrophobicContact CD1-CB 4.1Å; I359-V446 HydrophobicContact CD1-CB 4.39Å; I359-V446 HydrophobicContact CD1-CG2 3.95Å
360R94.3Very high79.6Confident22 Ų2235.6 Ų35.68%0.08319%0.186CC..  trans-71.4138.8-179.7-153.2-173.884.3-176-2.1111.1V269 Y270 N337 T342 P343 D367 G439V269-R360 HydrophobicContact CB-CB 4.44Å; V269-R360 HydrophobicContact CG1-CB 3.81Å; V269-R360 HydrophobicContact CG1-CG 4.29Å; Y270-R360 HydrophobicContact CD1-CG 3.97Å; Y270-R360 HydrophobicContact CD2-CG 4.49Å; Y270-R360 HydrophobicContact CE1-CG 4.19Å; Y270-R360 HydrophobicContact CG-CG 4.16Å; N337-R360 PolarHBondContact ND2-NH2 3.44Å; T342-R360 PolarHBondContact OG1-O 3.46Å; P343-R360 HydrophobicContact CB-CB 3.99Å; P343-R360 WeakPolarHBondContact O-CB 3.39Å; P343-R360 PolarHBondContact O-N 3.09Å; R360-D367 IonicContact NH2-OD2 3.59Å; R360-D367 PolarHBondContact NH2-OD2 2.87Å; R360-G439 WeakPolarHBondContact O-CA 3.38Å
361G88.1Confident78Confident0 Ų032.8 Ų32.80%017%0.174CC..  trans-85.5-169.1165.300000113.3Y270 F363 H436Y270-G361 WeakPolarHBondContact OH-CA 3.24Å; G361-F363 PolarHBondContact O-N 3.46Å; G361-H436 WeakPolarHBondContact CA-O 3.46Å
362S79Confident76.4Confident30 Ų3031.2 Ų31.221%0.2116%0.159CC..  trans-65.9114.6-175-56.70000112.4D367 D371 L438S362-D367 VanDerWaalsContact CB-CB 3.46Å; S362-D367 WeakPolarHBondContact OG-CB 3.27Å; S362-D371 WeakPolarHBondContact CB-OD2 3.48Å; S362-D371 PolarHBondContact OG-OD1 3.3Å; S362-D371 PolarHBondContact OG-OD2 2.85Å; S362-L438 WeakPolarHBondContact OG-CB 3.14Å
363F64.2Low74.8Confident103 Ų10329.8 Ų29.845%0.45215%0.15SC..  trans-132.63.6175.5-157.7-109.1000112.1Y270 P273 G361 D367Y270-F363 HydrophobicContact CD1-CB 3.81Å; Y270-F363 AromaticContact CD1-CD2 3.51Å; Y270-F363 HydrophobicContact CD1-CD2 3.51Å; Y270-F363 HydrophobicContact CD1-CE2 4.3Å; Y270-F363 AromaticContact CD1-CG 3.79Å; Y270-F363 HydrophobicContact CD1-CG 3.79Å; Y270-F363 HydrophobicContact CE1-CB 3.94Å; Y270-F363 AromaticContact CE1-CD2 3.93Å; Y270-F363 HydrophobicContact CE1-CD2 3.93Å; Y270-F363 HydrophobicContact CE1-CG 4.28Å; P273-F363 HydrophobicContact CB-CE1 3.72Å; P273-F363 HydrophobicContact CB-CZ 3.7Å; P273-F363 HydrophobicContact CG-CE1 3.97Å; P273-F363 HydrophobicContact CG-CZ 4.44Å; G361-F363 PolarHBondContact O-N 3.46Å; F363-D367 PolarHBondContact N-OD2 3.12Å
364S54.1Low73.3Confident33 Ų3323.8 Ų23.823%0.23113%0.128CC..SBendtrans-137.8158.7178.871.90000111.4N337 R366 D367 A368N337-S364 PolarHBondContact ND2-OG 3.49Å; N337-S364 VanDerWaalsContact ND2-OG 3.12Å; S364-R366 PolarHBondContact O-N 2.93Å; S364-R366 VanDerWaalsContact O-N 3.13Å; S364-D367 WeakPolarHBondContact CB-OD2 3.46Å; S364-D367 PolarHBondContact N-OD2 3.25Å; S364-D367 WeakPolarHBondContact O-CB 3.38Å; S364-D367 PolarHBondContact O-N 3.33Å; S364-D367 PolarHBondContact OG-N 3.32Å; S364-D367 PolarHBondContact OG-OD1 3.4Å; S364-D367 PolarHBondContact OG-OD2 2.9Å; S364-A368 PolarHBondContact O-N 3.32Å; S364-A368 VanDerWaalsContact O-N 3.14Å
365L38.7Very low71.8Confident95 Ų9527.1 Ų27.150%0.49714%0.138SC..Hα-helixtrans-55.7-28174.3-74.8159.3000112.6L188 F191 L369L188-L365 HydrophobicContact CD2-CB 4.33Å; L188-L365 HydrophobicContact CD2-CD1 4.01Å; L188-L365 HydrophobicContact CD2-CD2 4.09Å; L188-L365 HydrophobicContact CD2-CG 4.38Å; F191-L365 HydrophobicContact CD2-CD1 4.2Å; F191-L365 HydrophobicContact CE2-CD1 3.68Å; F191-L365 HydrophobicContact CZ-CD1 4.04Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 3.36Å
366R55.3Low70.4Confident41 Ų4129.2 Ų29.216%0.15515%0.148CC..Hα-helixtrans-69.8-36.9177-64.4172.4-176.8-114.728.3112.2E338 I339 S364 L369 T370E338-R366 IonicContact OE1-CZ 3.06Å; E338-R366 VanDerWaalsContact OE1-CZ 3.31Å; E338-R366 IonicContact OE1-NH1 2.74Å; E338-R366 PolarHBondContact OE1-NH1 3.02Å; E338-R366 IonicContact OE1-NH2 2.8Å; E338-R366 PolarHBondContact OE1-NH2 2.91Å; E338-R366 IonicContact OE2-CZ 3.72Å; E338-R366 IonicContact OE2-NH1 2.8Å; E338-R366 PolarHBondContact OE2-NH1 3.43Å; E338-R366 IonicContact OE2-NH2 3.72Å; I339-R366 HydrophobicContact CD1-CB 4.48Å; I339-R366 HydrophobicContact CD1-CG 4.36Å; I339-R366 HydrophobicContact CG1-CB 3.75Å; I339-R366 HydrophobicContact CG1-CG 3.99Å; S364-R366 PolarHBondContact O-N 2.93Å; S364-R366 VanDerWaalsContact O-N 3.13Å; R366-L369 PolarHBondContact O-N 2.86Å; R366-T370 PolarHBondContact O-N 3.32Å; R366-T370 PolarHBondContact O-OG1 3.44Å; R366-T370 VanDerWaalsContact O-OG1 3.08Å
367D57.1Low69.1Low4 Ų432 Ų322%0.02116%0.163CC..Hα-helixtrans-70.7-42.9176.5-50.1-36000109.9N337 R360 S362 F363 S364 L369 T370 D371 L438N337-D367 PolarHBondContact OD1-OD1 3.08Å; R360-D367 IonicContact NH2-OD2 3.59Å; R360-D367 PolarHBondContact NH2-OD2 2.87Å; S362-D367 VanDerWaalsContact CB-CB 3.46Å; S362-D367 WeakPolarHBondContact OG-CB 3.27Å; F363-D367 PolarHBondContact N-OD2 3.12Å; S364-D367 WeakPolarHBondContact CB-OD2 3.46Å; S364-D367 PolarHBondContact N-OD2 3.25Å; S364-D367 WeakPolarHBondContact O-CB 3.38Å; S364-D367 PolarHBondContact O-N 3.33Å; S364-D367 PolarHBondContact OG-N 3.32Å; S364-D367 PolarHBondContact OG-OD1 3.4Å; S364-D367 PolarHBondContact OG-OD2 2.9Å; D367-L369 VanDerWaalsContact C-N 3.29Å; D367-L369 PolarHBondContact O-N 3.4Å; D367-T370 WeakPolarHBondContact O-CA 3.1Å; D367-T370 VanDerWaalsContact O-CB 3.28Å; D367-T370 WeakPolarHBondContact O-CB 3.25Å; D367-T370 PolarHBondContact O-N 2.66Å; D367-D371 PolarHBondContact O-N 3.09Å; D367-L438 HydrophobicContact CB-CD2 4.14Å
368A58.3Low68Low42 Ų4234 Ų3435%0.34718%0.177SC..Hα-helixtrans-61-35174.600000113S364 T370 D371 L372S364-A368 PolarHBondContact O-N 3.32Å; S364-A368 VanDerWaalsContact O-N 3.14Å; A368-T370 VanDerWaalsContact C-N 3.32Å; A368-D371 PolarHBondContact O-N 2.88Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 3.42Å
369L54.7Low67Low13 Ų1334.4 Ų34.47%0.06818%0.179CC..Hα-helixtrans-64.1-38.6171-78.3178000111.8L188 A200 I201 A204 I339 L365 R366 D367 D371 L372 C373L188-L369 HydrophobicContact CD1-CD1 3.88Å; L188-L369 HydrophobicContact CD1-CD2 4.12Å; L188-L369 HydrophobicContact CD1-CG 4.24Å; A200-L369 HydrophobicContact CB-CB 4.33Å; I201-L369 HydrophobicContact CG1-CD1 3.75Å; I201-L369 HydrophobicContact CG1-CD2 4.39Å; A204-L369 HydrophobicContact CB-CD2 3.81Å; I339-L369 HydrophobicContact CD1-CD1 4.46Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 3.36Å; R366-L369 PolarHBondContact O-N 2.86Å; D367-L369 VanDerWaalsContact C-N 3.29Å; D367-L369 PolarHBondContact O-N 3.4Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 2.73Å; L369-L372 PolarHBondContact O-N 3.38Å; L369-C373 PolarHBondContact O-N 3.27Å; L369-C373 PolarHBondContact O-SG 2.94Å
370T57.3Low65.8Low3 Ų340.2 Ų40.22%0.01821%0.206CC..Hα-helixtrans-64.6-36.5176.8-54.70000111.1R366 D367 A368 L372 C373 L438R366-T370 PolarHBondContact O-N 3.32Å; R366-T370 PolarHBondContact O-OG1 3.44Å; R366-T370 VanDerWaalsContact O-OG1 3.08Å; D367-T370 WeakPolarHBondContact O-CA 3.1Å; D367-T370 VanDerWaalsContact O-CB 3.28Å; D367-T370 WeakPolarHBondContact O-CB 3.25Å; D367-T370 PolarHBondContact O-N 2.66Å; A368-T370 VanDerWaalsContact C-N 3.32Å; T370-L372 VanDerWaalsContact C-N 3.31Å; T370-L372 PolarHBondContact O-N 3.41Å; T370-C373 WeakPolarHBondContact O-CB 3.43Å; T370-C373 PolarHBondContact O-N 3.25Å; T370-L438 HydrophobicContact CG2-CD1 4.34Å; T370-L438 HydrophobicContact CG2-CD2 4.23Å
371D62.9Low64.3Low23 Ų2340.8 Ų40.812%0.12321%0.211CC..Hα-helixtrans-65.5-32.7175.6-59.5-27.5000112.6S362 D367 A368 L369 C373 L438 L465S362-D371 WeakPolarHBondContact CB-OD2 3.48Å; S362-D371 PolarHBondContact OG-OD1 3.3Å; S362-D371 PolarHBondContact OG-OD2 2.85Å; D367-D371 PolarHBondContact O-N 3.09Å; A368-D371 PolarHBondContact O-N 2.88Å; L369-D371 VanDerWaalsContact C-N 3.29Å; L369-D371 PolarHBondContact O-N 2.73Å; D371-C373 VanDerWaalsContact C-N 3.32Å; D371-L438 WeakPolarHBondContact OD1-CB 3.45Å; D371-L438 WeakPolarHBondContact OD1-CD1 3.34Å; D371-L465 HydrophobicContact CB-CD1 4.38Å; D371-L465 HydrophobicContact CB-CD2 4.47Å
372L62.1Low62.8Low56 Ų5647.6 Ų47.629%0.29325%0.245SC..THydrogen-bonded Turntrans-82.7-6.1178.3-68172.6000113.6A204 V207 F208 A368 L369 T370 I374A204-L372 HydrophobicContact CB-CB 4.13Å; V207-L372 WeakPolarHBondContact CG2-O 3.48Å; F208-L372 HydrophobicContact CE2-CD1 4.05Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 3.42Å; L369-L372 PolarHBondContact O-N 3.38Å; T370-L372 VanDerWaalsContact C-N 3.31Å; T370-L372 PolarHBondContact O-N 3.41Å; L372-I374 VanDerWaalsContact C-N 3.29Å; L372-I374 PolarHBondContact O-N 2.96Å
373C59.4Low61.5Low0 Ų049.9 Ų49.90%026%0.258CS..  trans-81.765-179.9-71.30000111.8E203 L369 T370 D371 R375 H399E203-C373 HydrophobicContact CB-CB 4.24Å; E203-C373 VanDerWaalsContact OE2-CB 3.23Å; E203-C373 WeakPolarHBondContact OE2-CB 3.48Å; L369-C373 PolarHBondContact O-N 3.27Å; L369-C373 PolarHBondContact O-SG 2.94Å; T370-C373 WeakPolarHBondContact O-CB 3.43Å; T370-C373 PolarHBondContact O-N 3.25Å; D371-C373 VanDerWaalsContact C-N 3.32Å; C373-R375 PolarHBondContact O-N 3.39Å; C373-H399 PolarHBondContact O-CE1 3.43Å; C373-H399 PolarHBondContact O-NE2 3Å
374I66.4Low60.4Low10 Ų1053.7 Ų53.75%0.05128%0.277CS..  trans-74.842.5-170.1-37.4171000113.9V207 L372 L499 R587V207-I374 HydrophobicContact CG1-CD1 4.05Å; V207-I374 HydrophobicContact CG2-CD1 4.08Å; V207-I374 HydrophobicContact CG2-CG1 4.12Å; L372-I374 VanDerWaalsContact C-N 3.29Å; L372-I374 PolarHBondContact O-N 2.96Å; I374-L499 HydrophobicContact CD1-CD1 3.6Å; I374-R587 PolarHBondContact O-NH1 2.81Å
375R66.2Low59.8Low95 Ų9554.2 Ų54.236%0.35829%0.288SS..  trans-103.9138174.7-67.3-173.368.4135.2-1.7110E206 C373 R400E206-R375 IonicContact OE1-NH1 3.93Å; E206-R375 IonicContact OE2-NH1 3.58Å; E206-R375 PolarHBondContact OE2-NH1 3.36Å; C373-R375 PolarHBondContact O-N 3.39Å; R375-R400 WeakPolarHBondContact O-CB 3.42Å; R375-R400 PolarHBondContact O-N 3.19Å
376E68.7Low59.6Low43 Ų4354.5 Ų54.520%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-80.1155.3170.469.8-85-142.900111.5I588 L590E376-I588 HydrophobicContact CG-CB 4.3Å; E376-I588 PolarHBondContact OE1-N 3.27Å; E376-L590 HydrophobicContact CB-CD1 4.08Å; E376-L590 HydrophobicContact CB-CD2 4.4Å
377D71.5Confident58.9Low59 Ų5963.5 Ų63.532%0.31633%0.334SS..EExtended strand (participates in β ladder)trans-135.4152.8167-150.1-14.3000109.2V398 R400 L403D377-V398 PolarHBondContact N-O 2.77Å; D377-V398 PolarHBondContact O-N 3.25Å; D377-V398 VanDerWaalsContact O-O 3.13Å; D377-R400 HydrophobicContact CB-CB 3.87Å; D377-R400 HydrophobicContact CB-CG 3.99Å; D377-L403 HydrophobicContact CB-CD2 4.25Å
378C75.1Confident58.3Low43 Ų4368.7 Ų68.729%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-88.6123.6178.9-169.80000109.6Y397C378-Y397 HydrophobicContact CB-CD1 4.13Å; C378-Y397 HydrophobicContact CB-CE1 3.87Å
379L77.2Confident57.9Low7 Ų772.4 Ų72.44%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-102.2112.4169.717762.7000108.6L381 C396 V398 L403 L448 L449L379-L381 HydrophobicContact CD2-CD2 3.92Å; L379-L381 HydrophobicContact CD2-CG 4.46Å; L379-L381 HydrophobicContact CG-CD2 4.15Å; L379-L381 HydrophobicContact CG-CG 4.42Å; L379-C396 HydrophobicContact CB-CB 4.23Å; L379-C396 PolarHBondContact N-O 3.45Å; L379-C396 PolarHBondContact O-N 2.89Å; L379-V398 HydrophobicContact CB-CG2 4.19Å; L379-V398 HydrophobicContact CD2-CG2 4.29Å; L379-L403 HydrophobicContact CB-CD1 4.5Å; L379-L403 HydrophobicContact CB-CD2 4.11Å; L379-L403 HydrophobicContact CD1-CD1 4.07Å; L379-L403 HydrophobicContact CD1-CD2 4.48Å; L379-L403 HydrophobicContact CD2-CD1 4.06Å; L379-L403 HydrophobicContact CG-CD1 4.44Å; L379-L448 HydrophobicContact CD2-CD2 4.15Å; L379-L449 HydrophobicContact CD1-CD2 4Å; L379-L449 HydrophobicContact CD2-CD2 3.81Å
380E70.9Confident57.8Low122 Ų12280.1 Ų80.157%0.5742%0.416SS*.EExtended strand (participates in β ladder)trans-87.5115.5166.9-66.6-173.3165.900108.2I382 K395E380-I382 PolarHBondContact O-N 3.43Å; E380-K395 HydrophobicContact CG-CG 4.46Å; E380-K395 WeakPolarHBondContact OE1-CE 3.45Å; E380-K395 IonicContact OE1-NZ 3.7Å
381L63.8Low58.2Low35 Ų3584.8 Ų84.818%0.18344%0.441CS..  trans-82.6109173.8-68.7173.2000107.6L379 T383 I392 C396 L448 L449L379-L381 HydrophobicContact CD2-CD2 3.92Å; L379-L381 HydrophobicContact CD2-CG 4.46Å; L379-L381 HydrophobicContact CG-CD2 4.15Å; L379-L381 HydrophobicContact CG-CG 4.42Å; L381-T383 PolarHBondContact O-N 3.45Å; L381-T383 VanDerWaalsContact O-N 3.08Å; L381-I392 HydrophobicContact CD1-CG2 4.22Å; L381-C396 VanDerWaalsContact CD1-SG 3.55Å; L381-L448 HydrophobicContact CD1-CD1 4.17Å; L381-L448 HydrophobicContact CD1-CG 4.48Å; L381-L449 HydrophobicContact CD2-CD2 4.42Å
382I56.8Low58.5Low142 Ų14285.1 Ų85.173%0.72844%0.442SS*.  trans-74.5100.5175.9-52.3174.9000107.6E380 E384E380-I382 PolarHBondContact O-N 3.43Å; I382-E384 HydrophobicContact CG2-CG 3.88Å; I382-E384 PolarHBondContact O-N 3.37Å
383T50.6Low58.9Low78 Ų7883.5 Ų83.548%0.47944%0.435SS..  trans-85.690.9165.540.50000108.8L381 G385 I392L381-T383 PolarHBondContact O-N 3.45Å; L381-T383 VanDerWaalsContact O-N 3.08Å; T383-G385 PolarHBondContact O-N 3.2Å; T383-I392 HydrophobicContact CG2-CD1 4.08Å; T383-I392 HydrophobicContact CG2-CG2 4.42Å
384E41Very low59.5Low183 Ų18389 Ų8986%0.85547%0.469SS*.  trans-73.9111.3163.8-69.1-166.7168.400108.6I382I382-E384 HydrophobicContact CG2-CG 3.88Å; I382-E384 PolarHBondContact O-N 3.37Å
385G42.5Very low60.3Low45 Ų4593.8 Ų93.846%0.46449%0.49SS..SBendtrans127106.3176.800000112.7T383T383-G385 PolarHBondContact O-N 3.2Å
386S33.3Very low61.3Low101 Ų10189.3 Ų89.371%0.70647%0.473SS*.THydrogen-bonded Turntrans-49.5142.5158.843.10000109.3
387Y41.4Very low62.3Low230 Ų23090.8 Ų90.890%0.90248%0.477SS*.THydrogen-bonded Turntrans102.3-5.5-179.3-51.9-67.9000118.4
388L44Very low63.3Low113 Ų11388 Ų8859%0.59246%0.462SS*.SBendtrans-86.9118.2170.5-94.891.7000112.5I392L388-I392 HydrophobicContact CB-CD1 4.15Å; L388-I392 HydrophobicContact CD2-CD1 3.88Å
389N50.2Low63.9Low119 Ų11985.9 Ų85.964%0.63645%0.448SS*.  trans-4.9126.1169.3-75.1-31.4000117.1D391 I392N389-D391 PolarHBondContact O-N 3.35Å; N389-I392 PolarHBondContact O-N 3.23Å
390N52.4Low64.3Low176 Ų17688.5 Ų88.594%0.94146%0.458SS*.THydrogen-bonded Turntrans-53.1-4.4171.2-72.2-19.8000115.5
391D64.9Low64.9Low101 Ų10182.8 Ų82.854%0.5443%0.431SS..THydrogen-bonded Turntrans-84.6-12.3-178.3-69.9-5.4000114.2N389 P393 Y476 K479N389-D391 PolarHBondContact O-N 3.35Å; D391-P393 WeakPolarHBondContact O-CD 3.33Å; D391-Y476 WeakPolarHBondContact O-CD2 3.2Å; D391-K479 IonicContact OD2-NZ 3.86Å; D391-K479 PolarHBondContact OD2-NZ 3.42Å
392I69.5Low66.2Low29 Ų2981.1 Ų81.115%0.14942%0.422CS..SBendtrans-79.5119.5-178.7-53.3-179.8000108.5L381 T383 L388 N389 T394 Y476L381-I392 HydrophobicContact CD1-CG2 4.22Å; T383-I392 HydrophobicContact CG2-CD1 4.08Å; T383-I392 HydrophobicContact CG2-CG2 4.42Å; L388-I392 HydrophobicContact CB-CD1 4.15Å; L388-I392 HydrophobicContact CD2-CD1 3.88Å; N389-I392 PolarHBondContact O-N 3.23Å; I392-T394 PolarHBondContact O-N 3.44Å; I392-Y476 HydrophobicContact CB-CE2 4.39Å; I392-Y476 HydrophobicContact CG1-CE2 3.82Å
393P70.9Confident67.8Low22 Ų2274.4 Ų74.414%0.14339%0.388CS..  trans-65.2123.8178.5-11.324000109.9D391 K395 Y476D391-P393 WeakPolarHBondContact O-CD 3.33Å; P393-K395 VanDerWaalsContact C-N 3.27Å; P393-K395 PolarHBondContact O-N 3.21Å; P393-Y476 HydrophobicContact CG-CG 4.32Å
394T72.1Confident69.7Low117 Ų11773.1 Ų73.172%0.71838%0.376SS*.SBendtrans-66.7-31.1177.745.60000112.4I392I392-T394 PolarHBondContact O-N 3.44Å
395K82.6Confident72.1Confident110 Ų11064.5 Ų64.548%0.47834%0.335SS..EExtended strand (participates in β ladder)trans-124.8119.7171.5-70.5-172.1175-172.90109.4E380 P393E380-K395 HydrophobicContact CG-CG 4.46Å; E380-K395 WeakPolarHBondContact OE1-CE 3.45Å; E380-K395 IonicContact OE1-NZ 3.7Å; P393-K395 VanDerWaalsContact C-N 3.27Å; P393-K395 PolarHBondContact O-N 3.21Å
396C88Confident74.6Confident0 Ų062.3 Ų62.30%031%0.313CS..EExtended strand (participates in β ladder)trans-107.7131.9173.7-63.20000108.7L379 L381 V398 T473L379-C396 HydrophobicContact CB-CB 4.23Å; L379-C396 PolarHBondContact N-O 3.45Å; L379-C396 PolarHBondContact O-N 2.89Å; L381-C396 VanDerWaalsContact CD1-SG 3.55Å; C396-V398 HydrophobicContact CB-CG2 4.32Å; C396-T473 VanDerWaalsContact CA-OG1 3.24Å; C396-T473 WeakPolarHBondContact CA-OG1 3.32Å; C396-T473 HydrophobicContact CB-CG2 3.87Å; C396-T473 WeakPolarHBondContact CB-OG1 3.49Å; C396-T473 PolarHBondContact SG-OG1 3.02Å; C396-T473 VanDerWaalsContact SG-OG1 3.41Å
397Y90.3Very high77.5Confident74 Ų7462.7 Ų62.729%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-101.7123.7172-67.8-84.4000109.3C378 A469 D470 I588C378-Y397 HydrophobicContact CB-CD1 4.13Å; C378-Y397 HydrophobicContact CB-CE1 3.87Å; Y397-A469 CarbonylContact O-C 3.59Å; Y397-A469 WeakPolarHBondContact O-CA 3.41Å; Y397-D470 PolarHBondContact N-OD1 2.57Å; Y397-D470 PolarHBondContact O-N 3.23Å; Y397-D470 VanDerWaalsContact O-OD1 3.12Å; Y397-I588 HydrophobicContact CD1-CD1 3.32Å; Y397-I588 HydrophobicContact CD2-CD1 3.69Å; Y397-I588 HydrophobicContact CE1-CD1 3.33Å; Y397-I588 HydrophobicContact CE2-CD1 3.71Å; Y397-I588 HydrophobicContact CG-CD1 3.48Å; Y397-I588 VanDerWaalsContact CG-CD1 3.48Å; Y397-I588 HydrophobicContact CG-CG2 4.35Å
398V90.9Very high80Confident0 Ų052.9 Ų52.90%026%0.261CS..EExtended strand (participates in β ladder)trans-132.8149.5-172.7-166.60000108.4D377 L379 C396 R400 L403 V445 V468D377-V398 PolarHBondContact N-O 2.77Å; D377-V398 PolarHBondContact O-N 3.25Å; D377-V398 VanDerWaalsContact O-O 3.13Å; L379-V398 HydrophobicContact CB-CG2 4.19Å; L379-V398 HydrophobicContact CD2-CG2 4.29Å; C396-V398 HydrophobicContact CB-CG2 4.32Å; V398-R400 PolarHBondContact O-N 3.45Å; V398-L403 HydrophobicContact CB-CB 4.5Å; V398-L403 HydrophobicContact CG1-CB 4.44Å; V398-V445 HydrophobicContact CG1-CB 4.43Å; V398-V445 HydrophobicContact CG1-CG1 4.04Å; V398-V445 HydrophobicContact CG1-CG2 3.44Å; V398-V445 VanDerWaalsContact CG1-CG2 3.44Å; V398-V468 CarbonylContact C-O 3.56Å; V398-V468 WeakPolarHBondContact CA-O 3.31Å; V398-V468 VanDerWaalsContact CG1-O 3.24Å; V398-V468 WeakPolarHBondContact CG1-O 3.39Å
399H88.3Confident82.5Confident0 Ų047.5 Ų47.50%023%0.232CC..EExtended strand (participates in β ladder)trans-55.7124.6174.9-171.3-82.4000111.7C373 G401 I402 L403 C467 V468 L590C373-H399 PolarHBondContact O-CE1 3.43Å; C373-H399 PolarHBondContact O-NE2 3Å; H399-G401 PolarHBondContact ND1-N 2.92Å; H399-G401 PolarHBondContact O-N 3.39Å; H399-I402 HydrophobicContact CB-CB 4.01Å; H399-I402 HydrophobicContact CB-CD1 3.53Å; H399-I402 HydrophobicContact CB-CG1 3.96Å; H399-I402 PolarHBondContact ND1-N 3.38Å; H399-I402 PolarHBondContact O-N 2.85Å; H399-L403 WeakPolarHBondContact O-CB 3.19Å; H399-L403 PolarHBondContact O-N 3.32Å; H399-C467 WeakPolarHBondContact CB-O 3.36Å; H399-V468 PolarHBondContact N-O 2.77Å; H399-L590 HydrophobicContact CB-CD1 4.08Å
400R86.2Confident84.6Confident62 Ų6242.3 Ų42.323%0.23421%0.205CC..Hα-helixtrans-57-47.9-171.3-177169.6126138.71.1113E203 R375 D377 V398 I402 L403 K404E203-R400 IonicContact OE1-CZ 3.65Å; E203-R400 IonicContact OE1-NE 3.42Å; E203-R400 PolarHBondContact OE1-NE 3.17Å; E203-R400 IonicContact OE1-NH2 3.37Å; E203-R400 PolarHBondContact OE1-NH2 3.3Å; R375-R400 WeakPolarHBondContact O-CB 3.42Å; R375-R400 PolarHBondContact O-N 3.19Å; D377-R400 HydrophobicContact CB-CB 3.87Å; D377-R400 HydrophobicContact CB-CG 3.99Å; V398-R400 PolarHBondContact O-N 3.45Å; R400-I402 VanDerWaalsContact C-N 3.31Å; R400-I402 PolarHBondContact O-N 3.43Å; R400-L403 PolarHBondContact O-N 2.85Å; R400-K404 WeakPolarHBondContact O-CG 3.31Å; R400-K404 PolarHBondContact O-N 3.39Å
401G83.2Confident86.6Confident1 Ų139.1 Ų39.11%0.0119%0.189CC..Hα-helixtrans-64.9-34.2178.400000113.3H399 S405H399-G401 PolarHBondContact ND1-N 2.92Å; H399-G401 PolarHBondContact O-N 3.39Å; G401-S405 PolarHBondContact O-N 3.03Å; G401-S405 PolarHBondContact O-OG 3.32Å
402I90.4Very high88Confident0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-74.5-43.4179.4-65166.1000108.9H399 R400 K404 S405 A406 L438 V442 V445 L465 V468H399-I402 HydrophobicContact CB-CB 4.01Å; H399-I402 HydrophobicContact CB-CD1 3.53Å; H399-I402 HydrophobicContact CB-CG1 3.96Å; H399-I402 PolarHBondContact ND1-N 3.38Å; H399-I402 PolarHBondContact O-N 2.85Å; R400-I402 VanDerWaalsContact C-N 3.31Å; R400-I402 PolarHBondContact O-N 3.43Å; I402-K404 PolarHBondContact O-N 2.93Å; I402-S405 PolarHBondContact O-N 3.36Å; I402-A406 WeakPolarHBondContact O-CB 3.4Å; I402-A406 PolarHBondContact O-N 3.11Å; I402-L438 HydrophobicContact CG1-CD1 3.99Å; I402-V442 HydrophobicContact CG2-CG2 4.04Å; I402-V445 HydrophobicContact CG2-CB 4.23Å; I402-V445 HydrophobicContact CG2-CG2 3.66Å; I402-L465 HydrophobicContact CD1-CD1 4.07Å; I402-V468 HydrophobicContact CD1-CG2 4.21Å
403L91.5Very high89.2Confident1 Ų136.2 Ų36.21%0.00517%0.17CC..Hα-helixtrans-61.2-43.5177.3-179.859.1000112.1D377 L379 V398 H399 R400 S405 A406 R407 V445D377-L403 HydrophobicContact CB-CD2 4.25Å; L379-L403 HydrophobicContact CB-CD1 4.5Å; L379-L403 HydrophobicContact CB-CD2 4.11Å; L379-L403 HydrophobicContact CD1-CD1 4.07Å; L379-L403 HydrophobicContact CD1-CD2 4.48Å; L379-L403 HydrophobicContact CD2-CD1 4.06Å; L379-L403 HydrophobicContact CG-CD1 4.44Å; V398-L403 HydrophobicContact CB-CB 4.5Å; V398-L403 HydrophobicContact CG1-CB 4.44Å; H399-L403 WeakPolarHBondContact O-CB 3.19Å; H399-L403 PolarHBondContact O-N 3.32Å; R400-L403 PolarHBondContact O-N 2.85Å; L403-S405 VanDerWaalsContact C-N 3.31Å; L403-S405 PolarHBondContact O-N 3.42Å; L403-A406 PolarHBondContact O-N 3.42Å; L403-R407 HydrophobicContact CD1-CG 4.44Å; L403-R407 WeakPolarHBondContact O-CG 3.42Å; L403-R407 PolarHBondContact O-N 3.44Å; L403-V445 HydrophobicContact CD1-CG1 3.96Å
404K90.3Very high90.3Very high51 Ų5139.9 Ų39.922%0.22219%0.188CC..Hα-helixtrans-59-43.5174.1-73.9178.2179.91780111.8W340 R400 I402 R407 Y408W340-K404 HydrophobicContact CB-CB 3.88Å; W340-K404 HydrophobicContact CD2-CB 4.38Å; W340-K404 HydrophobicContact CD2-CD 3.63Å; W340-K404 HydrophobicContact CE3-CD 3.71Å; W340-K404 HydrophobicContact CG-CB 4.01Å; W340-K404 HydrophobicContact CG-CD 4.09Å; W340-K404 HydrophobicContact CH2-CD 4.37Å; W340-K404 VanDerWaalsContact CH2-NZ 3.35Å; W340-K404 HydrophobicContact CZ2-CD 4.3Å; W340-K404 HydrophobicContact CZ3-CD 4.08Å; R400-K404 WeakPolarHBondContact O-CG 3.31Å; R400-K404 PolarHBondContact O-N 3.39Å; I402-K404 PolarHBondContact O-N 2.93Å; K404-R407 PolarHBondContact O-N 3.3Å; K404-Y408 PolarHBondContact O-N 3.31Å
405S91.5Very high91.2Very high2 Ų237.4 Ų37.41%0.01419%0.187CC..Hα-helixtrans-66.5-39.6177.5-52.60000112.3W340 G401 I402 L403 Y408 V409W340-S405 WeakPolarHBondContact CA-OG 3.26Å; W340-S405 VanDerWaalsContact O-CA 3.3Å; W340-S405 WeakPolarHBondContact O-CA 3.25Å; G401-S405 PolarHBondContact O-N 3.03Å; G401-S405 PolarHBondContact O-OG 3.32Å; I402-S405 PolarHBondContact O-N 3.36Å; L403-S405 VanDerWaalsContact C-N 3.31Å; L403-S405 PolarHBondContact O-N 3.42Å; S405-Y408 WeakPolarHBondContact O-CB 3.43Å; S405-Y408 PolarHBondContact O-N 2.94Å; S405-V409 WeakPolarHBondContact O-CG2 3.19Å; S405-V409 PolarHBondContact O-N 3.5Å; S405-V409 VanDerWaalsContact O-N 3.11Å
406A94.5Very high91.6Very high0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-66.1-41.5177.300000112I402 L403 V409 C410 V442 V445 V446 L449I402-A406 WeakPolarHBondContact O-CB 3.4Å; I402-A406 PolarHBondContact O-N 3.11Å; L403-A406 PolarHBondContact O-N 3.42Å; A406-V409 PolarHBondContact O-N 2.91Å; A406-C410 PolarHBondContact O-N 3.25Å; A406-C410 PolarHBondContact O-SG 3.22Å; A406-V442 HydrophobicContact CB-CG1 4.24Å; A406-V445 HydrophobicContact CB-CB 3.81Å; A406-V445 HydrophobicContact CB-CG1 3.56Å; A406-V446 HydrophobicContact CB-CG2 3.75Å; A406-L449 HydrophobicContact CB-CD1 4.09Å
407R94.1Very high91.8Very high109 Ų10940.3 Ų40.341%0.41120%0.204SC..Hα-helixtrans-60.3-45.9172.8-75.6-178.8178.51591.8111.4L403 K404 V409 C410 D411 L449L403-R407 HydrophobicContact CD1-CG 4.44Å; L403-R407 WeakPolarHBondContact O-CG 3.42Å; L403-R407 PolarHBondContact O-N 3.44Å; K404-R407 PolarHBondContact O-N 3.3Å; R407-V409 VanDerWaalsContact C-N 3.31Å; R407-V409 PolarHBondContact O-N 3.14Å; R407-C410 PolarHBondContact O-N 3.41Å; R407-C410 VanDerWaalsContact O-N 3.14Å; R407-D411 WeakPolarHBondContact O-CB 3.3Å; R407-D411 PolarHBondContact O-N 2.83Å; R407-L449 HydrophobicContact CG-CD1 4.46Å
408Y94.1Very high92Very high23 Ų2336.8 Ų36.89%0.0919%0.19CC..Hα-helixtrans-54.4-46.1175.2169.9-96.5000112.7N334 E341 F344 K404 S405 D411 K412N334-Y408 PolarHBondContact ND2-OH 3.1Å; E341-Y408 HydrophobicContact CB-CD1 4.16Å; E341-Y408 HydrophobicContact CB-CD2 4.14Å; E341-Y408 HydrophobicContact CB-CE1 3.92Å; E341-Y408 HydrophobicContact CB-CE2 3.86Å; E341-Y408 HydrophobicContact CB-CG 4.26Å; E341-Y408 VanDerWaalsContact CD-CE2 3.45Å; E341-Y408 HydrophobicContact CG-CD1 4.47Å; E341-Y408 HydrophobicContact CG-CD2 3.63Å; E341-Y408 HydrophobicContact CG-CE1 4.48Å; E341-Y408 HydrophobicContact CG-CE2 3.6Å; E341-Y408 HydrophobicContact CG-CG 4.06Å; F344-Y408 HydrophobicContact CE1-CE1 4.32Å; K404-Y408 PolarHBondContact O-N 3.31Å; S405-Y408 WeakPolarHBondContact O-CB 3.43Å; S405-Y408 PolarHBondContact O-N 2.94Å; Y408-D411 PolarHBondContact O-N 3.4Å; Y408-K412 HydrophobicContact CE1-CG 4.42Å; Y408-K412 HydrophobicContact CE2-CG 4.24Å; Y408-K412 WeakPolarHBondContact O-CG 3.42Å; Y408-K412 PolarHBondContact O-N 2.99Å; Y408-K412 VanDerWaalsContact O-N 3.08Å
409V95.7Very high92.2Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-63.6-46.5177.5175.20000110.7T342 F344 I359 S405 A406 R407 D411 K412 L413 V442 V446T342-V409 HydrophobicContact CG2-CG2 4.05Å; F344-V409 HydrophobicContact CD1-CB 4.43Å; F344-V409 HydrophobicContact CD1-CG1 4.15Å; F344-V409 HydrophobicContact CD1-CG2 3.81Å; F344-V409 HydrophobicContact CD2-CG1 4.24Å; F344-V409 HydrophobicContact CE1-CB 4.32Å; F344-V409 HydrophobicContact CE1-CG1 4.13Å; F344-V409 HydrophobicContact CE1-CG2 4.08Å; F344-V409 HydrophobicContact CE2-CG1 4.23Å; F344-V409 HydrophobicContact CG-CG1 4.19Å; F344-V409 HydrophobicContact CG-CG2 4.39Å; F344-V409 HydrophobicContact CZ-CG1 4.16Å; I359-V409 HydrophobicContact CD1-CG1 4.22Å; I359-V409 HydrophobicContact CD1-CG2 4.4Å; S405-V409 WeakPolarHBondContact O-CG2 3.19Å; S405-V409 PolarHBondContact O-N 3.5Å; S405-V409 VanDerWaalsContact O-N 3.11Å; A406-V409 PolarHBondContact O-N 2.91Å; R407-V409 VanDerWaalsContact C-N 3.31Å; R407-V409 PolarHBondContact O-N 3.14Å; V409-D411 PolarHBondContact O-N 3.49Å; V409-K412 PolarHBondContact O-N 3.29Å; V409-L413 HydrophobicContact CG1-CD1 3.88Å; V409-L413 HydrophobicContact CG1-CG 4.31Å; V409-L413 VanDerWaalsContact O-CG 3.32Å; V409-L413 WeakPolarHBondContact O-CG 3.37Å; V409-L413 PolarHBondContact O-N 3.45Å; V409-V442 HydrophobicContact CG2-CG1 4.39Å; V409-V446 HydrophobicContact CB-CG2 3.98Å; V409-V446 HydrophobicContact CG1-CG1 4.46Å; V409-V446 HydrophobicContact CG1-CG2 4.06Å
410C95.2Very high92.5Very high10 Ų1037.8 Ų37.87%0.06820%0.201CC..Hα-helixtrans-62.5-42.1178.4-64.40000112.3A406 R407 K412 L413 N414A406-C410 PolarHBondContact O-N 3.25Å; A406-C410 PolarHBondContact O-SG 3.22Å; R407-C410 PolarHBondContact O-N 3.41Å; R407-C410 VanDerWaalsContact O-N 3.14Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 2.83Å; C410-L413 PolarHBondContact O-N 3.19Å; C410-N414 WeakPolarHBondContact O-CB 3.46Å; C410-N414 VanDerWaalsContact O-CG 3.29Å; C410-N414 PolarHBondContact O-N 2.98Å; C410-N414 PolarHBondContact O-ND2 3.46Å
411D95Very high92.8Very high110 Ų11038 Ų3859%0.58821%0.206SC*.Hα-helixtrans-61.5-38.5177.9-68.1-17.5000111R407 Y408 V409 G415R407-D411 WeakPolarHBondContact O-CB 3.3Å; R407-D411 PolarHBondContact O-N 2.83Å; Y408-D411 PolarHBondContact O-N 3.4Å; V409-D411 PolarHBondContact O-N 3.49Å; D411-G415 WeakPolarHBondContact O-CA 3.4Å; D411-G415 PolarHBondContact O-N 3.29Å
412K94.3Very high93.4Very high67 Ų6738 Ų3829%0.29121%0.206SC..Hα-helixtrans-71.2-42.6174.6-72.8-59-172.8-177.80113.1F344 Y408 V409 C410 N414 E416F344-K412 HydrophobicContact CE1-CB 4.06Å; F344-K412 HydrophobicContact CE1-CG 4.47Å; F344-K412 HydrophobicContact CZ-CB 3.69Å; Y408-K412 HydrophobicContact CE1-CG 4.42Å; Y408-K412 HydrophobicContact CE2-CG 4.24Å; Y408-K412 WeakPolarHBondContact O-CG 3.42Å; Y408-K412 PolarHBondContact O-N 2.99Å; Y408-K412 VanDerWaalsContact O-N 3.08Å; V409-K412 PolarHBondContact O-N 3.29Å; C410-K412 VanDerWaalsContact C-N 3.28Å; C410-K412 PolarHBondContact O-N 2.83Å; K412-N414 VanDerWaalsContact C-N 3.35Å; K412-E416 WeakPolarHBondContact O-CB 3.3Å; K412-E416 WeakPolarHBondContact O-CG 3.2Å; K412-E416 PolarHBondContact O-N 2.99Å
413L94.5Very high93.6Very high1 Ų139.9 Ų39.91%0.00521%0.214CC..Hα-helixtrans-63.1-41.5176.7-70.6172.4000111.8F344 A346 V357 V409 C410 N417 V418 L419F344-L413 HydrophobicContact CE2-CD2 3.77Å; F344-L413 HydrophobicContact CE2-CG 4.11Å; F344-L413 HydrophobicContact CZ-CD2 4.47Å; F344-L413 HydrophobicContact CZ-CG 4.43Å; A346-L413 HydrophobicContact CB-CD2 4.5Å; V357-L413 HydrophobicContact CG1-CD1 4.32Å; V357-L413 HydrophobicContact CG2-CD1 4.38Å; V357-L413 HydrophobicContact CG2-CD2 4.38Å; V409-L413 HydrophobicContact CG1-CD1 3.88Å; V409-L413 HydrophobicContact CG1-CG 4.31Å; V409-L413 VanDerWaalsContact O-CG 3.32Å; V409-L413 WeakPolarHBondContact O-CG 3.37Å; V409-L413 PolarHBondContact O-N 3.45Å; C410-L413 PolarHBondContact O-N 3.19Å; L413-N417 PolarHBondContact O-N 2.84Å; L413-V418 HydrophobicContact CD2-CB 3.84Å; L413-V418 HydrophobicContact CD2-CG1 3.77Å; L413-V418 HydrophobicContact CD2-CG2 4.27Å; L413-V418 PolarHBondContact O-N 3.45Å; L413-L419 HydrophobicContact CD1-CD1 4.38Å; L413-L419 HydrophobicContact CD2-CG 4.48Å
414N93Very high93.8Very high99 Ų9945.3 Ų45.353%0.52925%0.247SC..Hα-helixtrans-77-44.9-179.9-69.9-20.8000112.1C410 K412 E416 N417C410-N414 WeakPolarHBondContact O-CB 3.46Å; C410-N414 VanDerWaalsContact O-CG 3.29Å; C410-N414 PolarHBondContact O-N 2.98Å; C410-N414 PolarHBondContact O-ND2 3.46Å; K412-N414 VanDerWaalsContact C-N 3.35Å; N414-E416 PolarHBondContact O-N 3.31Å; N414-N417 PolarHBondContact O-N 3.23Å; N414-N417 VanDerWaalsContact O-N 3.09Å
415G91.8Very high94Very high66 Ų6648.1 Ų48.168%0.6826%0.264SS*.Hα-helixtrans-62.8-30.7-177.200000113.5D411D411-G415 WeakPolarHBondContact O-CA 3.4Å; D411-G415 PolarHBondContact O-N 3.29Å
416E90.1Very high94.2Very high86 Ų8650.1 Ų50.140%0.40227%0.273SS..THydrogen-bonded Turntrans-1039.9178.2-51.4-74174.900112L305 Y332 K412 N414 V418L305-E416 HydrophobicContact CD2-CB 4.33Å; L305-E416 HydrophobicContact CD2-CG 4.15Å; L305-E416 WeakPolarHBondContact CD2-OE2 3.46Å; Y332-E416 HydrophobicContact CE2-CB 4.1Å; Y332-E416 HydrophobicContact CE2-CG 3.83Å; K412-E416 WeakPolarHBondContact O-CB 3.3Å; K412-E416 WeakPolarHBondContact O-CG 3.2Å; K412-E416 PolarHBondContact O-N 2.99Å; N414-E416 PolarHBondContact O-N 3.31Å; E416-V418 HydrophobicContact CB-CG2 3.89Å; E416-V418 PolarHBondContact O-N 2.93Å
417N92.5Very high94.2Very high84 Ų8454.5 Ų54.545%0.44930%0.302SS..THydrogen-bonded Turntrans47.831.5-177.4-16143.5000115.8L413 N414 L419 G420 D421L413-N417 PolarHBondContact O-N 2.84Å; N414-N417 PolarHBondContact O-N 3.23Å; N414-N417 VanDerWaalsContact O-N 3.09Å; N417-L419 PolarHBondContact O-N 3.38Å; N417-G420 PolarHBondContact O-N 2.81Å; N417-D421 PolarHBondContact ND2-OD1 3.4Å; N417-D421 PolarHBondContact O-N 3.06Å
418V94.3Very high94.3Very high0 Ų055.3 Ų55.30%031%0.314CS..Hα-helixtrans-55.9-50.3-170.2174.40000112.2F331 Y332 A346 L413 E416 L422F331-V418 HydrophobicContact CD1-CG1 3.88Å; F331-V418 HydrophobicContact CE1-CG1 4.29Å; Y332-V418 HydrophobicContact CD2-CG2 3.69Å; Y332-V418 HydrophobicContact CE2-CG2 4.24Å; Y332-V418 HydrophobicContact CG-CG2 3.84Å; A346-V418 HydrophobicContact CB-CG1 3.61Å; L413-V418 HydrophobicContact CD2-CB 3.84Å; L413-V418 HydrophobicContact CD2-CG1 3.77Å; L413-V418 HydrophobicContact CD2-CG2 4.27Å; L413-V418 PolarHBondContact O-N 3.45Å; E416-V418 HydrophobicContact CB-CG2 3.89Å; E416-V418 PolarHBondContact O-N 2.93Å; V418-L422 HydrophobicContact CG1-CD1 3.89Å; V418-L422 WeakPolarHBondContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CD1 3.3Å; V418-L422 VanDerWaalsContact O-CG 3.27Å; V418-L422 WeakPolarHBondContact O-CG 3.35Å; V418-L422 PolarHBondContact O-N 3.49Å; V418-L422 VanDerWaalsContact O-N 3.17Å
419L95.3Very high94.4Very high3 Ų356.4 Ų56.42%0.01632%0.318CS..Hα-helixtrans-72-38.2-177.3-63.6-178.3000111.7I355 V357 L413 N417 L422 F423 L431 L450 Y454I355-L419 HydrophobicContact CG2-CD2 4.28Å; V357-L419 HydrophobicContact CG2-CD2 4.04Å; L413-L419 HydrophobicContact CD1-CD1 4.38Å; L413-L419 HydrophobicContact CD2-CG 4.48Å; N417-L419 PolarHBondContact O-N 3.38Å; L419-L422 PolarHBondContact O-N 3.08Å; L419-F423 WeakPolarHBondContact O-CB 3.45Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 3.04Å; L419-L431 HydrophobicContact CD1-CD2 4.21Å; L419-L431 HydrophobicContact CD2-CD1 3.84Å; L419-L450 HydrophobicContact CD1-CD1 3.97Å; L419-L450 HydrophobicContact CD1-CD2 4.05Å; L419-Y454 HydrophobicContact CB-CE2 4.36Å; L419-Y454 HydrophobicContact CD1-CD2 4.32Å; L419-Y454 HydrophobicContact CD1-CE2 3.78Å
420G94.1Very high94.4Very high19 Ų1957.5 Ų57.520%0.19633%0.33CS..Hα-helixtrans-59.5-49.6178.700000111.4N417 F423 V424N417-G420 PolarHBondContact O-N 2.81Å; G420-F423 PolarHBondContact O-N 3.48Å; G420-V424 WeakPolarHBondContact O-CG2 3.48Å; G420-V424 PolarHBondContact O-N 2.77Å; G420-V424 VanDerWaalsContact O-N 3.07Å
421D94.1Very high94.6Very high67 Ų6757.1 Ų57.136%0.35833%0.327SS..Hα-helixtrans-65.3-41.8179.6-67.3-8.3000111.9F331 N417 F423 V424 L425F331-D421 HydrophobicContact CE1-CB 4.19Å; F331-D421 HydrophobicContact CE2-CB 4.22Å; F331-D421 HydrophobicContact CZ-CB 3.47Å; F331-D421 VanDerWaalsContact CZ-CB 3.47Å; N417-D421 PolarHBondContact ND2-OD1 3.4Å; N417-D421 PolarHBondContact O-N 3.06Å; D421-F423 VanDerWaalsContact C-N 3.34Å; D421-F423 PolarHBondContact O-N 3.12Å; D421-V424 WeakPolarHBondContact O-CB 3.49Å; D421-V424 PolarHBondContact O-N 3.43Å; D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 3.46Å; D421-L425 VanDerWaalsContact O-N 3.09Å
422L94.8Very high94.7Very high1 Ų152 Ų521%0.00530%0.3CS..Hα-helixtrans-61.7-39.9176.5-79.7169.9000112.7F331 A346 V348 I355 V418 L419 L425 H426F331-L422 HydrophobicContact CB-CD1 4.06Å; F331-L422 HydrophobicContact CB-CD2 3.74Å; F331-L422 HydrophobicContact CB-CG 4.14Å; F331-L422 HydrophobicContact CD1-CD1 4.12Å; F331-L422 HydrophobicContact CD1-CD2 4.39Å; F331-L422 HydrophobicContact CD1-CG 3.98Å; F331-L422 HydrophobicContact CD2-CD2 3.54Å; F331-L422 HydrophobicContact CD2-CG 3.91Å; F331-L422 HydrophobicContact CE1-CG 4.38Å; F331-L422 HydrophobicContact CE2-CD2 4.25Å; F331-L422 HydrophobicContact CE2-CG 4.32Å; F331-L422 HydrophobicContact CG-CD1 4.04Å; F331-L422 HydrophobicContact CG-CD2 3.62Å; F331-L422 HydrophobicContact CG-CG 3.72Å; A346-L422 HydrophobicContact CB-CD1 4.31Å; V348-L422 HydrophobicContact CG2-CD2 3.56Å; I355-L422 HydrophobicContact CD1-CB 3.76Å; I355-L422 HydrophobicContact CG1-CB 4.17Å; I355-L422 HydrophobicContact CG2-CB 4.35Å; I355-L422 HydrophobicContact CG2-CD1 3.72Å; V418-L422 HydrophobicContact CG1-CD1 3.89Å; V418-L422 WeakPolarHBondContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CD1 3.3Å; V418-L422 VanDerWaalsContact O-CG 3.27Å; V418-L422 WeakPolarHBondContact O-CG 3.35Å; V418-L422 PolarHBondContact O-N 3.49Å; V418-L422 VanDerWaalsContact O-N 3.17Å; L419-L422 PolarHBondContact O-N 3.08Å; L422-L425 PolarHBondContact O-N 3.22Å; L422-H426 WeakPolarHBondContact O-CB 3.44Å; L422-H426 PolarHBondContact O-N 3.39Å
423F96Very high94.9Very high38 Ų3848.9 Ų48.917%0.16729%0.286CS..Hα-helixtrans-72.3-27176.3-84-63.1000113.4I355 L419 G420 D421 H426 P427 Y429 L431 Y454I355-F423 HydrophobicContact CD1-CD1 3.75Å; I355-F423 HydrophobicContact CD1-CD2 4.26Å; I355-F423 HydrophobicContact CD1-CE1 3.85Å; I355-F423 HydrophobicContact CD1-CE2 4.33Å; I355-F423 HydrophobicContact CD1-CG 3.98Å; I355-F423 HydrophobicContact CD1-CZ 4.16Å; L419-F423 WeakPolarHBondContact O-CB 3.45Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 3.04Å; G420-F423 PolarHBondContact O-N 3.48Å; D421-F423 VanDerWaalsContact C-N 3.34Å; D421-F423 PolarHBondContact O-N 3.12Å; F423-H426 CarbonylContact O-C 3.54Å; F423-P427 WeakPolarHBondContact O-CA 3.38Å; F423-P427 VanDerWaalsContact O-N 3.14Å; F423-Y429 WeakPolarHBondContact CE1-O 3.27Å; F423-L431 HydrophobicContact CE2-CB 4.5Å; F423-L431 HydrophobicContact CE2-CD2 4.47Å; F423-L431 HydrophobicContact CZ-CB 3.91Å; F423-Y454 HydrophobicContact CD2-CD1 4.15Å; F423-Y454 AromaticContact CD2-CE1 3.53Å; F423-Y454 HydrophobicContact CD2-CE1 3.53Å; F423-Y454 AromaticContact CE2-CD1 3.45Å; F423-Y454 HydrophobicContact CE2-CD1 3.45Å; F423-Y454 VanDerWaalsContact CE2-CD1 3.45Å; F423-Y454 AromaticContact CE2-CE1 3.27Å; F423-Y454 HydrophobicContact CE2-CE1 3.27Å; F423-Y454 HydrophobicContact CE2-CG 4.39Å; F423-Y454 HydrophobicContact CZ-CD1 4.01Å; F423-Y454 HydrophobicContact CZ-CE1 4.23Å
424V95.2Very high95.1Very high116 Ų11648.8 Ų48.870%0.70329%0.286SS*.Hα-helixtrans-66.3-41.6170.3170.10000110.7G420 D421G420-V424 WeakPolarHBondContact O-CG2 3.48Å; G420-V424 PolarHBondContact O-N 2.77Å; G420-V424 VanDerWaalsContact O-N 3.07Å; D421-V424 WeakPolarHBondContact O-CB 3.49Å; D421-V424 PolarHBondContact O-N 3.43Å
425L93.8Very high95.3Very high109 Ų10944.1 Ų44.157%0.57126%0.261SS*.Hα-helixtrans-73.4-32.6178.5-65.1172.3000112.6F331 D421 L422F331-L425 HydrophobicContact CE2-CD1 4.07Å; D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 3.46Å; D421-L425 VanDerWaalsContact O-N 3.09Å; L422-L425 PolarHBondContact O-N 3.22Å
426H95.5Very high95.5Very high45 Ų4541.1 Ų41.121%0.20823%0.229CC..  trans-135.568.2-173.5-59.4-54000112.1H350 L422 F423 D428 Y429H350-H426 AromaticContact CE1-CE1 3.74Å; L422-H426 WeakPolarHBondContact O-CB 3.44Å; L422-H426 PolarHBondContact O-N 3.39Å; F423-H426 CarbonylContact O-C 3.54Å; H426-D428 VanDerWaalsContact C-N 3.27Å; H426-D428 PolarHBondContact O-N 3.02Å; H426-Y429 HydrophobicContact CB-CD1 4.16Å; H426-Y429 HydrophobicContact CB-CD2 3.7Å; H426-Y429 HydrophobicContact CB-CE2 4.2Å; H426-Y429 HydrophobicContact CB-CG 3.7Å; H426-Y429 WeakPolarHBondContact O-CB 3.35Å; H426-Y429 PolarHBondContact O-N 3.31Å
427P94.9Very high95.6Very high92 Ų9237.4 Ų37.460%0.59721%0.213SC*.THydrogen-bonded Turntrans-64.7-28.5-172.924.2-34.6000113.9F423 Y429F423-P427 WeakPolarHBondContact O-CA 3.38Å; F423-P427 VanDerWaalsContact O-N 3.14Å; P427-Y429 VanDerWaalsContact C-N 3.32Å; P427-Y429 PolarHBondContact O-N 3.22Å
428D95.2Very high95.6Very high126 Ų12633.5 Ų33.567%0.67419%0.192SC*.THydrogen-bonded Turntrans-89.88.8-177.5-54.6-31.6000113.7R353 H426R353-D428 VanDerWaalsContact NH2-CB 3.35Å; R353-D428 IonicContact NH2-OD2 3.96Å; H426-D428 VanDerWaalsContact C-N 3.27Å; H426-D428 PolarHBondContact O-N 3.02Å
429Y96.9Very high95.6Very high45 Ų4533.5 Ų33.518%0.17619%0.192CC..  trans-94.4147.9-174.2-79.7-133.4000110.9V348 H350 R353 F423 H426 P427V348-Y429 HydrophobicContact CG1-CD1 3.97Å; V348-Y429 HydrophobicContact CG1-CE1 3.66Å; H350-Y429 AromaticContact ND1-CE1 3.59Å; H350-Y429 AromaticContact ND1-CZ 3.58Å; H350-Y429 PolarHBondContact ND1-OH 2.95Å; R353-Y429 HydrophobicContact CB-CD1 4.34Å; R353-Y429 HydrophobicContact CB-CE1 4.29Å; R353-Y429 HydrophobicContact CB-CG 4.45Å; R353-Y429 WeakPolarHBondContact O-CA 3.36Å; R353-Y429 WeakPolarHBondContact O-CB 3.28Å; F423-Y429 WeakPolarHBondContact CE1-O 3.27Å; H426-Y429 HydrophobicContact CB-CD1 4.16Å; H426-Y429 HydrophobicContact CB-CD2 3.7Å; H426-Y429 HydrophobicContact CB-CE2 4.2Å; H426-Y429 HydrophobicContact CB-CG 3.7Å; H426-Y429 WeakPolarHBondContact O-CB 3.35Å; H426-Y429 PolarHBondContact O-N 3.31Å; P427-Y429 VanDerWaalsContact C-N 3.32Å; P427-Y429 PolarHBondContact O-N 3.22Å
430G96.6Very high95.7Very high24 Ų2433.4 Ų33.425%0.24719%0.191CC..EExtended strand (participates in β ladder)trans-77.2163.5171.400000112.2R353 N354 I355R353-G430 PolarHBondContact O-N 2.98Å; N354-G430 CarbonylContact C-O 3.52Å; N354-G430 VanDerWaalsContact CA-O 3.3Å; N354-G430 WeakPolarHBondContact CA-O 3.3Å; N354-G430 WeakPolarHBondContact OD1-CA 3.4Å; I355-G430 PolarHBondContact N-O 3.47Å
431L97.9Very high95.7Very high1 Ų132.5 Ų32.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-108.7122.2170.217963000110.2I355 V357 L419 F423 L450 Y454 V457 R458I355-L431 HydrophobicContact CB-CD1 4.25Å; I355-L431 HydrophobicContact CG2-CD1 3.92Å; V357-L431 HydrophobicContact CG2-CD1 4.42Å; L419-L431 HydrophobicContact CD1-CD2 4.21Å; L419-L431 HydrophobicContact CD2-CD1 3.84Å; F423-L431 HydrophobicContact CE2-CB 4.5Å; F423-L431 HydrophobicContact CE2-CD2 4.47Å; F423-L431 HydrophobicContact CZ-CB 3.91Å; L431-L450 HydrophobicContact CD2-CD1 4.37Å; L431-Y454 HydrophobicContact CD2-CD2 4.18Å; L431-Y454 HydrophobicContact CD2-CG 3.98Å; L431-V457 HydrophobicContact CD2-CB 4.21Å; L431-V457 HydrophobicContact CD2-CG2 3.88Å; L431-V457 HydrophobicContact CG-CG2 3.98Å; L431-V457 WeakPolarHBondContact O-CA 3.28Å; L431-R458 PolarHBondContact O-N 2.87Å
432V98.1Very high95.8Very high4 Ų429.3 Ų29.32%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-119.7127.31761760000109.7F262 N354 I355 V356 V357 R458 F460F262-V432 HydrophobicContact CD1-CG1 4Å; F262-V432 HydrophobicContact CD2-CG1 4.13Å; F262-V432 HydrophobicContact CE1-CB 4.25Å; F262-V432 HydrophobicContact CE1-CG1 4.03Å; F262-V432 HydrophobicContact CE1-CG2 4.23Å; F262-V432 HydrophobicContact CE2-CG1 4.13Å; F262-V432 HydrophobicContact CE2-CG2 4.13Å; F262-V432 HydrophobicContact CG-CG1 4.08Å; F262-V432 HydrophobicContact CZ-CB 4.26Å; F262-V432 HydrophobicContact CZ-CG1 4.1Å; F262-V432 HydrophobicContact CZ-CG2 3.76Å; N354-V432 HydrophobicContact CB-CB 4.49Å; N354-V432 HydrophobicContact CB-CG2 3.96Å; I355-V432 PolarHBondContact O-N 3.17Å; V356-V432 CarbonylContact C-O 3.5Å; V356-V432 VanDerWaalsContact CA-O 3.27Å; V356-V432 WeakPolarHBondContact CA-O 3.5Å; V356-V432 HydrophobicContact CG2-CB 4.45Å; V357-V432 PolarHBondContact N-O 2.91Å; V432-R458 CarbonylContact C-O 3.46Å; V432-R458 VanDerWaalsContact CA-O 3.29Å; V432-R458 WeakPolarHBondContact CA-O 3.36Å; V432-R458 HydrophobicContact CG2-CB 4.43Å; V432-F460 HydrophobicContact CG1-CD2 3.88Å; V432-F460 HydrophobicContact CG1-CE2 4.46Å
433V98.6Very high96Very high0 Ų029.2 Ų29.20%017%0.165CC..EExtended strand (participates in β ladder)trans-105.1136.3166.6-163.60000107.9V357 I359 A443 V446 S447 L450 V457 R458 C459 F460V357-V433 HydrophobicContact CB-CG1 4.22Å; V357-V433 HydrophobicContact CG1-CG1 4.35Å; V357-V433 CarbonylContact O-C 3.55Å; V357-V433 WeakPolarHBondContact O-CA 3.35Å; I359-V433 HydrophobicContact CD1-CG1 4.01Å; I359-V433 HydrophobicContact CG1-CG1 4.47Å; V433-A443 HydrophobicContact CB-CB 4.42Å; V433-A443 HydrophobicContact CG1-CB 3.65Å; V433-V446 HydrophobicContact CG1-CB 4.37Å; V433-V446 HydrophobicContact CG1-CG1 4.12Å; V433-V446 HydrophobicContact CG2-CG1 4.4Å; V433-S447 WeakPolarHBondContact CB-OG 3.45Å; V433-S447 WeakPolarHBondContact CG2-OG 3.31Å; V433-L450 HydrophobicContact CG2-CD1 4.38Å; V433-V457 HydrophobicContact CG2-CG2 3.94Å; V433-R458 PolarHBondContact N-O 3.29Å; V433-C459 VanDerWaalsContact O-CA 3.22Å; V433-C459 WeakPolarHBondContact O-CA 3.43Å; V433-F460 PolarHBondContact O-N 3.38Å
434T98.3Very high96Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-147157.6-176.7-166.10000111.8F262 S266 V356 V357 A358 I359 F460 F462F262-T434 HydrophobicContact CB-CG2 4.37Å; S266-T434 VanDerWaalsContact OG-CG2 3.26Å; S266-T434 WeakPolarHBondContact OG-CG2 3.18Å; S266-T434 PolarHBondContact OG-OG1 3.45Å; V356-T434 HydrophobicContact CG1-CG2 3.81Å; V357-T434 PolarHBondContact O-N 3.49Å; A358-T434 WeakPolarHBondContact CA-O 3.4Å; A358-T434 HydrophobicContact CB-CG2 4.01Å; I359-T434 PolarHBondContact N-O 3.28Å; T434-F460 WeakPolarHBondContact CA-O 3.36Å; T434-F460 PolarHBondContact OG1-O 2.98Å; T434-F462 WeakPolarHBondContact OG1-CE2 3.39Å
435G97.1Very high96.1Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-176.4169.4176.700000111.1S266 I359 A440 F460 F462S266-G435 WeakPolarHBondContact OG-CA 3.46Å; S266-G435 PolarHBondContact OG-N 3.42Å; I359-G435 WeakPolarHBondContact O-CA 3.48Å; G435-A440 WeakPolarHBondContact O-CB 3.46Å; G435-F460 PolarHBondContact N-O 3.37Å; G435-F462 WeakPolarHBondContact O-CD2 3.25Å; G435-F462 PolarHBondContact O-N 3.31Å
436H95.3Very high96.2Very high4 Ų416.7 Ų16.72%0.01910%0.096CC..EExtended strand (participates in β ladder)trans-118.6146.5175.7171.5-97.8000110.5M263 Y270 G361 L438 G439 A440 F462 H632M263-H436 HydrophobicContact CE-CB 4.2Å; M263-H436 HydrophobicContact SD-CB 4.49Å; Y270-H436 HydrophobicContact CE2-CB 4.44Å; Y270-H436 PolarHBondContact OH-ND1 2.82Å; Y270-H436 VanDerWaalsContact OH-ND1 3.11Å; G361-H436 WeakPolarHBondContact CA-O 3.46Å; H436-L438 PolarHBondContact O-N 3.16Å; H436-G439 WeakPolarHBondContact O-CA 3.36Å; H436-G439 PolarHBondContact O-N 3.36Å; H436-A440 PolarHBondContact O-N 3.4Å; H436-F462 CarbonylContact C-O 3.54Å; H436-F462 VanDerWaalsContact CA-O 3.26Å; H436-F462 WeakPolarHBondContact CA-O 3.45Å; H436-F462 HydrophobicContact CB-CB 4.46Å; H436-H632 PolarHBondContact CE1-O 3.06Å; H436-H632 VanDerWaalsContact CE1-O 3.23Å; H436-H632 PolarHBondContact NE2-O 3.25Å; H436-H632 VanDerWaalsContact NE2-O 3.09Å
437S93.5Very high96.3Very high8 Ų814.6 Ų14.66%0.0569%0.086CC..THydrogen-bonded Turntrans57.2-129.9176.7-173.70000111.4G439 A440 S441 F462 S463 H632S437-G439 PolarHBondContact O-N 3.39Å; S437-G439 VanDerWaalsContact O-N 3.16Å; S437-A440 VanDerWaalsContact O-CB 3.23Å; S437-A440 WeakPolarHBondContact O-CB 3.42Å; S437-A440 PolarHBondContact O-N 2.98Å; S437-S441 PolarHBondContact O-N 3.25Å; S437-F462 PolarHBondContact N-O 3.45Å; S437-S463 VanDerWaalsContact CA-O 3.24Å; S437-S463 WeakPolarHBondContact CA-O 3.18Å; S437-H632 VanDerWaalsContact CB-NE2 3.34Å; S437-H632 WeakPolarHBondContact CB-NE2 3.4Å; S437-H632 PolarHBondContact OG-CE1 2.99Å; S437-H632 PolarHBondContact OG-NE2 3.39Å
438L92.1Very high96.3Very high2 Ų210.4 Ų10.41%0.016%0.059CC..Hα-helixtrans-51.1-38.3172.6179.159.9000112.7S362 D367 T370 D371 I402 H436 A440 S441 V442 L465S362-L438 WeakPolarHBondContact OG-CB 3.14Å; D367-L438 HydrophobicContact CB-CD2 4.14Å; T370-L438 HydrophobicContact CG2-CD1 4.34Å; T370-L438 HydrophobicContact CG2-CD2 4.23Å; D371-L438 WeakPolarHBondContact OD1-CB 3.45Å; D371-L438 WeakPolarHBondContact OD1-CD1 3.34Å; I402-L438 HydrophobicContact CG1-CD1 3.99Å; H436-L438 PolarHBondContact O-N 3.16Å; L438-A440 VanDerWaalsContact C-N 3.26Å; L438-A440 PolarHBondContact O-N 2.8Å; L438-S441 WeakPolarHBondContact O-CB 3.38Å; L438-S441 PolarHBondContact O-N 3.24Å; L438-S441 VanDerWaalsContact O-N 3.15Å; L438-V442 HydrophobicContact CD1-CG2 4.24Å; L438-V442 HydrophobicContact CG-CG2 4.36Å; L438-V442 WeakPolarHBondContact O-CG2 3.37Å; L438-V442 PolarHBondContact O-N 2.79Å; L438-L465 HydrophobicContact CD1-CD1 4.09Å
439G94.7Very high96.3Very high0 Ų06.3 Ų6.30%04%0.037CC..Hα-helixtrans-64.1-33179.300000112.1R360 H436 S437 A443R360-G439 WeakPolarHBondContact O-CA 3.38Å; H436-G439 WeakPolarHBondContact O-CA 3.36Å; H436-G439 PolarHBondContact O-N 3.36Å; S437-G439 PolarHBondContact O-N 3.39Å; S437-G439 VanDerWaalsContact O-N 3.16Å; G439-A443 WeakPolarHBondContact O-CB 3.42Å; G439-A443 PolarHBondContact O-N 3.4Å
440A96.6Very high96.1Very high0 Ų04.4 Ų4.40%03%0.029CC..Hα-helixtrans-67.5-42173.800000111.6G435 H436 S437 L438 A443 S444 A461 F462 P464G435-A440 WeakPolarHBondContact O-CB 3.46Å; H436-A440 PolarHBondContact O-N 3.4Å; S437-A440 VanDerWaalsContact O-CB 3.23Å; S437-A440 WeakPolarHBondContact O-CB 3.42Å; S437-A440 PolarHBondContact O-N 2.98Å; L438-A440 VanDerWaalsContact C-N 3.26Å; L438-A440 PolarHBondContact O-N 2.8Å; A440-A443 PolarHBondContact O-N 3.28Å; A440-S444 WeakPolarHBondContact O-CB 3.2Å; A440-S444 PolarHBondContact O-N 3.2Å; A440-S444 PolarHBondContact O-OG 3.25Å; A440-A461 HydrophobicContact CB-CB 3.92Å; A440-F462 VanDerWaalsContact CB-O 3.31Å; A440-F462 WeakPolarHBondContact CB-O 3.39Å; A440-P464 HydrophobicContact CB-CB 3.84Å
441S95Very high95.9Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-62-47.4174.7-54.20000111.3S437 L438 S444 V445 L465 V468S437-S441 PolarHBondContact O-N 3.25Å; L438-S441 WeakPolarHBondContact O-CB 3.38Å; L438-S441 PolarHBondContact O-N 3.24Å; L438-S441 VanDerWaalsContact O-N 3.15Å; S441-S444 WeakPolarHBondContact O-CB 3.29Å; S441-S444 PolarHBondContact O-N 2.9Å; S441-V445 WeakPolarHBondContact O-CG2 3.27Å; S441-V445 PolarHBondContact O-N 3.05Å; S441-L465 PolarHBondContact OG-N 3.42Å; S441-V468 WeakPolarHBondContact OG-CG2 3.37Å
442V95.9Very high95.4Very high0 Ų08.4 Ų8.40%05%0.051CC..Hα-helixtrans-63.4-45177.3178.30000110.6T342 I359 I402 A406 V409 L438 S444 V445 V446T342-V442 HydrophobicContact CG2-CG1 4.22Å; I359-V442 HydrophobicContact CD1-CB 4.49Å; I359-V442 HydrophobicContact CD1-CG1 3.91Å; I359-V442 HydrophobicContact CG2-CB 4.17Å; I359-V442 HydrophobicContact CG2-CG1 4.06Å; I402-V442 HydrophobicContact CG2-CG2 4.04Å; A406-V442 HydrophobicContact CB-CG1 4.24Å; V409-V442 HydrophobicContact CG2-CG1 4.39Å; L438-V442 HydrophobicContact CD1-CG2 4.24Å; L438-V442 HydrophobicContact CG-CG2 4.36Å; L438-V442 WeakPolarHBondContact O-CG2 3.37Å; L438-V442 PolarHBondContact O-N 2.79Å; V442-S444 VanDerWaalsContact C-N 3.27Å; V442-S444 PolarHBondContact O-N 2.93Å; V442-V445 PolarHBondContact O-N 3.48Å; V442-V445 VanDerWaalsContact O-N 3.14Å; V442-V446 HydrophobicContact CG1-CG2 4.05Å; V442-V446 WeakPolarHBondContact O-CB 3.49Å; V442-V446 VanDerWaalsContact O-CG2 3.32Å; V442-V446 WeakPolarHBondContact O-CG2 3.44Å; V442-V446 PolarHBondContact O-N 2.95Å
443A97.9Very high95Very high0 Ų012.7 Ų12.70%08%0.077CC..Hα-helixtrans-57.3-39.8176.900000112.6I359 V433 G439 A440 V446 S447I359-A443 HydrophobicContact CD1-CB 4.1Å; V433-A443 HydrophobicContact CB-CB 4.42Å; V433-A443 HydrophobicContact CG1-CB 3.65Å; G439-A443 WeakPolarHBondContact O-CB 3.42Å; G439-A443 PolarHBondContact O-N 3.4Å; A440-A443 PolarHBondContact O-N 3.28Å; A443-V446 PolarHBondContact O-N 3.44Å; A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 3.21Å; A443-S447 PolarHBondContact O-OG 3.36Å
444S97.5Very high94.7Very high0 Ų014.9 Ų14.90%09%0.086CC..Hα-helixtrans-63-45177.4-57.40000111.2A440 S441 V442 S447 L448 A461 M477 P593A440-S444 WeakPolarHBondContact O-CB 3.2Å; A440-S444 PolarHBondContact O-N 3.2Å; A440-S444 PolarHBondContact O-OG 3.25Å; S441-S444 WeakPolarHBondContact O-CB 3.29Å; S441-S444 PolarHBondContact O-N 2.9Å; V442-S444 VanDerWaalsContact C-N 3.27Å; V442-S444 PolarHBondContact O-N 2.93Å; S444-S447 WeakPolarHBondContact O-CB 3.36Å; S444-S447 PolarHBondContact O-N 3.43Å; S444-L448 PolarHBondContact O-N 2.96Å; S444-A461 WeakPolarHBondContact OG-CB 3.38Å; S444-M477 WeakPolarHBondContact O-CE 3.28Å; S444-P593 WeakPolarHBondContact OG-CG 3.31Å
445V96.2Very high94.4Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-73.8-37179.3-179.10000111.9V398 I402 L403 A406 S441 V442 S447 L448 L449 V468V398-V445 HydrophobicContact CG1-CB 4.43Å; V398-V445 HydrophobicContact CG1-CG1 4.04Å; V398-V445 HydrophobicContact CG1-CG2 3.44Å; V398-V445 VanDerWaalsContact CG1-CG2 3.44Å; I402-V445 HydrophobicContact CG2-CB 4.23Å; I402-V445 HydrophobicContact CG2-CG2 3.66Å; L403-V445 HydrophobicContact CD1-CG1 3.96Å; A406-V445 HydrophobicContact CB-CB 3.81Å; A406-V445 HydrophobicContact CB-CG1 3.56Å; S441-V445 WeakPolarHBondContact O-CG2 3.27Å; S441-V445 PolarHBondContact O-N 3.05Å; V442-V445 PolarHBondContact O-N 3.48Å; V442-V445 VanDerWaalsContact O-N 3.14Å; V445-S447 VanDerWaalsContact C-N 3.28Å; V445-S447 PolarHBondContact O-N 2.82Å; V445-L448 WeakPolarHBondContact O-CB 3.49Å; V445-L448 PolarHBondContact O-N 3.11Å; V445-L449 HydrophobicContact CG1-CD1 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.31Å; V445-L449 PolarHBondContact O-N 3.17Å; V445-V468 HydrophobicContact CG2-CG1 3.69Å
446V97.2Very high94.2Very high0 Ų022.2 Ų22.20%014%0.135CC..Hα-helixtrans-58.4-44.3170.5168.30000110I359 A406 V409 V433 V442 A443 L448 L449 L450I359-V446 HydrophobicContact CD1-CB 4.39Å; I359-V446 HydrophobicContact CD1-CG2 3.95Å; A406-V446 HydrophobicContact CB-CG2 3.75Å; V409-V446 HydrophobicContact CB-CG2 3.98Å; V409-V446 HydrophobicContact CG1-CG1 4.46Å; V409-V446 HydrophobicContact CG1-CG2 4.06Å; V433-V446 HydrophobicContact CG1-CB 4.37Å; V433-V446 HydrophobicContact CG1-CG1 4.12Å; V433-V446 HydrophobicContact CG2-CG1 4.4Å; V442-V446 HydrophobicContact CG1-CG2 4.05Å; V442-V446 WeakPolarHBondContact O-CB 3.49Å; V442-V446 VanDerWaalsContact O-CG2 3.32Å; V442-V446 WeakPolarHBondContact O-CG2 3.44Å; V442-V446 PolarHBondContact O-N 2.95Å; A443-V446 PolarHBondContact O-N 3.44Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 3.26Å; V446-L449 PolarHBondContact O-N 2.94Å; V446-L450 HydrophobicContact CG1-CD1 3.65Å; V446-L450 HydrophobicContact CG1-CG 4.19Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.31Å; V446-L450 WeakPolarHBondContact O-CG 3.49Å; V446-L450 PolarHBondContact O-N 2.99Å
447S97Very high94.2Very high0 Ų022 Ų220%013%0.134CC..Hα-helixtrans-63-38.8176.6-57.50000112.1V433 A443 S444 V445 L450 H451 C459V433-S447 WeakPolarHBondContact CB-OG 3.45Å; V433-S447 WeakPolarHBondContact CG2-OG 3.31Å; A443-S447 WeakPolarHBondContact O-CB 3.45Å; A443-S447 PolarHBondContact O-N 3.21Å; A443-S447 PolarHBondContact O-OG 3.36Å; S444-S447 WeakPolarHBondContact O-CB 3.36Å; S444-S447 PolarHBondContact O-N 3.43Å; V445-S447 VanDerWaalsContact C-N 3.28Å; V445-S447 PolarHBondContact O-N 2.82Å; S447-L450 PolarHBondContact O-N 3.05Å; S447-H451 VanDerWaalsContact O-CB 3.32Å; S447-H451 WeakPolarHBondContact O-CB 3.37Å; S447-H451 PolarHBondContact O-N 3.33Å; S447-C459 VanDerWaalsContact OG-CB 3.31Å; S447-C459 WeakPolarHBondContact OG-CB 3.12Å
448L95.1Very high94.4Very high5 Ų525 Ų253%0.02614%0.144CC..Hα-helixtrans-60.6-44.3174177.865.4000111.6L379 L381 S444 V445 V446 H451 T473 Y476 M477 F480L379-L448 HydrophobicContact CD2-CD2 4.15Å; L381-L448 HydrophobicContact CD1-CD1 4.17Å; L381-L448 HydrophobicContact CD1-CG 4.48Å; S444-L448 PolarHBondContact O-N 2.96Å; V445-L448 WeakPolarHBondContact O-CB 3.49Å; V445-L448 PolarHBondContact O-N 3.11Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 3.26Å; L448-H451 PolarHBondContact O-N 2.9Å; L448-T473 HydrophobicContact CD2-CG2 3.67Å; L448-Y476 HydrophobicContact CD1-CD1 3.76Å; L448-Y476 HydrophobicContact CD1-CE1 3.79Å; L448-M477 HydrophobicContact CB-CE 4.35Å; L448-M477 HydrophobicContact CD1-CG 4.2Å; L448-M477 HydrophobicContact CD2-SD 4.36Å; L448-F480 HydrophobicContact CB-CE2 4.46Å; L448-F480 HydrophobicContact CB-CZ 4.3Å; L448-F480 HydrophobicContact CD1-CZ 3.94Å
449L93.9Very high94.7Very high39 Ų3924.9 Ų24.920%0.20414%0.144CC..Hα-helixtrans-67.8-37.3178.1-67.5171.7000112.5L379 L381 A406 R407 V445 V446L379-L449 HydrophobicContact CD1-CD2 4Å; L379-L449 HydrophobicContact CD2-CD2 3.81Å; L381-L449 HydrophobicContact CD2-CD2 4.42Å; A406-L449 HydrophobicContact CB-CD1 4.09Å; R407-L449 HydrophobicContact CG-CD1 4.46Å; V445-L449 HydrophobicContact CG1-CD1 4.48Å; V445-L449 WeakPolarHBondContact O-CG 3.31Å; V445-L449 PolarHBondContact O-N 3.17Å; V446-L449 PolarHBondContact O-N 2.94Å
450L94.1Very high94.8Very high5 Ų525 Ų253%0.02614%0.144CC..Hα-helixtrans-79.7-17.7179.6-68.9177.1000113.2L419 L431 V433 V446 S447 S452 T453 Y454L419-L450 HydrophobicContact CD1-CD1 3.97Å; L419-L450 HydrophobicContact CD1-CD2 4.05Å; L431-L450 HydrophobicContact CD2-CD1 4.37Å; V433-L450 HydrophobicContact CG2-CD1 4.38Å; V446-L450 HydrophobicContact CG1-CD1 3.65Å; V446-L450 HydrophobicContact CG1-CG 4.19Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.31Å; V446-L450 WeakPolarHBondContact O-CG 3.49Å; V446-L450 PolarHBondContact O-N 2.99Å; S447-L450 PolarHBondContact O-N 3.05Å; L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 3.02Å; L450-T453 PolarHBondContact O-N 3.34Å; L450-T453 VanDerWaalsContact O-N 3.14Å; L450-Y454 HydrophobicContact CB-CD2 4.33Å; L450-Y454 HydrophobicContact CD2-CD2 4.2Å; L450-Y454 HydrophobicContact CD2-CE2 4.3Å; L450-Y454 PolarHBondContact O-N 3.14Å
451H92.1Very high94.9Very high25 Ų2525 Ų2512%0.11614%0.144CC..THydrogen-bonded Turntrans-63.9-28.5-171-169.539.1000113.7S447 L448 Y454 P455 V457 Y476 F480S447-H451 VanDerWaalsContact O-CB 3.32Å; S447-H451 WeakPolarHBondContact O-CB 3.37Å; S447-H451 PolarHBondContact O-N 3.33Å; L448-H451 PolarHBondContact O-N 2.9Å; H451-Y454 CarbonylContact O-C 3.55Å; H451-P455 PolarHBondContact CE1-O 2.63Å; H451-P455 PolarHBondContact ND1-O 2.81Å; H451-P455 WeakPolarHBondContact O-CA 3.43Å; H451-V457 HydrophobicContact CB-CG1 4.01Å; H451-Y476 AromaticContact CD2-CE1 4Å; H451-Y476 AromaticContact CD2-CZ 3.78Å; H451-Y476 PolarHBondContact CD2-OH 3.16Å; H451-F480 HydrophobicContact CB-CE1 4.31Å; H451-F480 HydrophobicContact CB-CZ 4.24Å; H451-F480 AromaticContact CD2-CD1 3.43Å; H451-F480 VanDerWaalsContact CD2-CD1 3.43Å; H451-F480 WeakPolarHBondContact CD2-CD1 3.34Å; H451-F480 AromaticContact CD2-CE1 3.26Å; H451-F480 WeakPolarHBondContact CD2-CE1 3.37Å; H451-F480 AromaticContact CE1-CD1 3.83Å; H451-F480 AromaticContact CG-CD1 3.85Å; H451-F480 AromaticContact CG-CE1 3.82Å; H451-F480 AromaticContact NE2-CD1 3.43Å; H451-F480 WeakPolarHBondContact NE2-CD1 3.01Å; H451-F480 AromaticContact NE2-CE1 3.73Å
452S86.3Confident94.9Very high84 Ų8425 Ų2559%0.58714%0.144SC*.THydrogen-bonded Turntrans-67.4-41.6175.154.30000112.2L450L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 3.02Å
453T90Very high94.9Very high95 Ų9525 Ų2558%0.58314%0.144SC*.THydrogen-bonded Turntrans-83.2-35.2179.7-46.80000112.3L450 P455L450-T453 PolarHBondContact O-N 3.34Å; L450-T453 VanDerWaalsContact O-N 3.14Å; T453-P455 WeakPolarHBondContact O-CD 3.35Å
454Y92.9Very high94.7Very high45 Ų4525 Ų2518%0.17614%0.144CC..  trans-125.679.6-178.8-57.4-78.3000110.5L419 F423 L431 L450 H451 S456 V457L419-Y454 HydrophobicContact CB-CE2 4.36Å; L419-Y454 HydrophobicContact CD1-CD2 4.32Å; L419-Y454 HydrophobicContact CD1-CE2 3.78Å; F423-Y454 HydrophobicContact CD2-CD1 4.15Å; F423-Y454 AromaticContact CD2-CE1 3.53Å; F423-Y454 HydrophobicContact CD2-CE1 3.53Å; F423-Y454 AromaticContact CE2-CD1 3.45Å; F423-Y454 HydrophobicContact CE2-CD1 3.45Å; F423-Y454 VanDerWaalsContact CE2-CD1 3.45Å; F423-Y454 AromaticContact CE2-CE1 3.27Å; F423-Y454 HydrophobicContact CE2-CE1 3.27Å; F423-Y454 HydrophobicContact CE2-CG 4.39Å; F423-Y454 HydrophobicContact CZ-CD1 4.01Å; F423-Y454 HydrophobicContact CZ-CE1 4.23Å; L431-Y454 HydrophobicContact CD2-CD2 4.18Å; L431-Y454 HydrophobicContact CD2-CG 3.98Å; L450-Y454 HydrophobicContact CB-CD2 4.33Å; L450-Y454 HydrophobicContact CD2-CD2 4.2Å; L450-Y454 HydrophobicContact CD2-CE2 4.3Å; L450-Y454 PolarHBondContact O-N 3.14Å; H451-Y454 CarbonylContact O-C 3.55Å; Y454-S456 PolarHBondContact O-N 3Å; Y454-V457 VanDerWaalsContact O-CB 3.31Å; Y454-V457 WeakPolarHBondContact O-CB 3.24Å; Y454-V457 VanDerWaalsContact O-CG1 3.23Å; Y454-V457 WeakPolarHBondContact O-CG1 3.24Å; Y454-V457 PolarHBondContact O-N 3.47Å
455P91.7Very high94.4Very high87 Ų8725.1 Ų25.157%0.56515%0.145SC*.THydrogen-bonded Turntrans-59.8-22-177.8-26.635.7000114.7H451 T453 V457H451-P455 PolarHBondContact CE1-O 2.63Å; H451-P455 PolarHBondContact ND1-O 2.81Å; H451-P455 WeakPolarHBondContact O-CA 3.43Å; T453-P455 WeakPolarHBondContact O-CD 3.35Å; P455-V457 VanDerWaalsContact C-N 3.31Å
456S92.5Very high94.1Very high67 Ų6725.5 Ų25.547%0.46915%0.148SC..THydrogen-bonded Turntrans-81-5.6176.957.90000114Y454 R458Y454-S456 PolarHBondContact O-N 3Å; S456-R458 PolarHBondContact O-N 2.95Å
457V96.5Very high93.7Very high0 Ų025.6 Ų25.60%015%0.149CC..  trans-52.8140.8-179.5700000111.2L431 V433 H451 Y454 P455 F480L431-V457 HydrophobicContact CD2-CB 4.21Å; L431-V457 HydrophobicContact CD2-CG2 3.88Å; L431-V457 HydrophobicContact CG-CG2 3.98Å; L431-V457 WeakPolarHBondContact O-CA 3.28Å; V433-V457 HydrophobicContact CG2-CG2 3.94Å; H451-V457 HydrophobicContact CB-CG1 4.01Å; Y454-V457 VanDerWaalsContact O-CB 3.31Å; Y454-V457 WeakPolarHBondContact O-CB 3.24Å; Y454-V457 VanDerWaalsContact O-CG1 3.23Å; Y454-V457 WeakPolarHBondContact O-CG1 3.24Å; Y454-V457 PolarHBondContact O-N 3.47Å; P455-V457 VanDerWaalsContact C-N 3.31Å; V457-F480 HydrophobicContact CG1-CD2 4.4Å; V457-F480 VanDerWaalsContact O-CB 3.31Å; V457-F480 WeakPolarHBondContact O-CB 3.41Å
458R97.4Very high93.5Very high70 Ų7025.6 Ų25.626%0.26415%0.149SC..EExtended strand (participates in β ladder)trans-127.5146.6173.3-63.3-62.1180-111.33.1110W253 L431 V432 V433 S456 F480W253-R458 HydrophobicContact CD2-CG 4.18Å; W253-R458 HydrophobicContact CE3-CB 4.19Å; W253-R458 HydrophobicContact CE3-CG 4.04Å; W253-R458 HydrophobicContact CZ3-CB 4.25Å; W253-R458 HydrophobicContact CZ3-CG 4.46Å; L431-R458 PolarHBondContact O-N 2.87Å; V432-R458 CarbonylContact C-O 3.46Å; V432-R458 VanDerWaalsContact CA-O 3.29Å; V432-R458 WeakPolarHBondContact CA-O 3.36Å; V432-R458 HydrophobicContact CG2-CB 4.43Å; V433-R458 PolarHBondContact N-O 3.29Å; S456-R458 PolarHBondContact O-N 2.95Å; R458-F480 CarbonylContact C-O 3.42Å; R458-F480 WeakPolarHBondContact CA-O 3.4Å
459C98Very high93.3Very high0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-122.8129.1177-1720000111.4V433 S447 F480 V481 C482V433-C459 VanDerWaalsContact O-CA 3.22Å; V433-C459 WeakPolarHBondContact O-CA 3.43Å; S447-C459 VanDerWaalsContact OG-CB 3.31Å; S447-C459 WeakPolarHBondContact OG-CB 3.12Å; C459-F480 PolarHBondContact N-O 2.7Å; C459-V481 HydrophobicContact CB-CB 4.15Å; C459-V481 HydrophobicContact CB-CG1 4.03Å; C459-V481 HydrophobicContact CB-CG2 3.83Å; C459-C482 PolarHBondContact O-N 3.27Å
460F97.6Very high93.3Very high2 Ų224.2 Ų24.21%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-108.4100.5167.1-73.3-98.3000108.5W253 M254 L258 A259 F262 V432 V433 T434 G435 F462 L484W253-F460 HydrophobicContact CE3-CE2 4.18Å; W253-F460 HydrophobicContact CE3-CZ 4.05Å; W253-F460 HydrophobicContact CZ3-CE2 4.17Å; W253-F460 HydrophobicContact CZ3-CZ 4.14Å; M254-F460 HydrophobicContact CG-CE1 4.17Å; L258-F460 HydrophobicContact CB-CZ 4.27Å; A259-F460 HydrophobicContact CB-CD1 4.29Å; A259-F460 HydrophobicContact CB-CE1 4.26Å; F262-F460 HydrophobicContact CB-CB 4.24Å; F262-F460 HydrophobicContact CB-CG 4.35Å; F262-F460 HydrophobicContact CD2-CD1 4.22Å; F262-F460 AromaticContact CD2-CD2 3.4Å; F262-F460 HydrophobicContact CD2-CD2 3.4Å; F262-F460 HydrophobicContact CD2-CE1 4.25Å; F262-F460 AromaticContact CD2-CE2 3.44Å; F262-F460 HydrophobicContact CD2-CE2 3.44Å; F262-F460 VanDerWaalsContact CD2-CE2 3.44Å; F262-F460 AromaticContact CD2-CG 3.81Å; F262-F460 HydrophobicContact CD2-CG 3.81Å; F262-F460 AromaticContact CD2-CZ 3.88Å; F262-F460 HydrophobicContact CD2-CZ 3.88Å; F262-F460 AromaticContact CE2-CD2 3.87Å; F262-F460 HydrophobicContact CE2-CD2 3.87Å; F262-F460 AromaticContact CE2-CE2 3.48Å; F262-F460 HydrophobicContact CE2-CE2 3.48Å; F262-F460 VanDerWaalsContact CE2-CE2 3.48Å; F262-F460 AromaticContact CE2-CZ 3.97Å; F262-F460 HydrophobicContact CE2-CZ 3.97Å; F262-F460 HydrophobicContact CG-CD2 4.22Å; F262-F460 HydrophobicContact CG-CG 4.46Å; V432-F460 HydrophobicContact CG1-CD2 3.88Å; V432-F460 HydrophobicContact CG1-CE2 4.46Å; V433-F460 PolarHBondContact O-N 3.38Å; T434-F460 WeakPolarHBondContact CA-O 3.36Å; T434-F460 PolarHBondContact OG1-O 2.98Å; G435-F460 PolarHBondContact N-O 3.37Å; F460-F462 HydrophobicContact CB-CE2 3.82Å; F460-F462 HydrophobicContact CB-CZ 3.84Å; F460-F462 HydrophobicContact CD1-CZ 4.36Å; F460-L484 HydrophobicContact CD1-CD1 4.42Å
461A97.2Very high93.1Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-99.6107.7-178.500000110A440 S444 P464 V481 C482 T483 L484A440-A461 HydrophobicContact CB-CB 3.92Å; S444-A461 WeakPolarHBondContact OG-CB 3.38Å; A461-P464 HydrophobicContact CB-CG 4.38Å; A461-V481 HydrophobicContact CB-CG1 4.44Å; A461-C482 PolarHBondContact N-O 2.97Å; A461-T483 CarbonylContact O-C 3.47Å; A461-T483 VanDerWaalsContact O-CA 3.28Å; A461-T483 WeakPolarHBondContact O-CA 3.45Å; A461-L484 PolarHBondContact O-N 3.12Å
462F96.6Very high93Very high0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-95.5118.8179.8-57.2-79.5000110.7A259 F262 M263 T434 G435 H436 S437 A440 F460 L484 M637 L641A259-F462 HydrophobicContact CB-CE1 4.27Å; A259-F462 HydrophobicContact CB-CZ 4.49Å; A259-F462 WeakPolarHBondContact O-CZ 3.32Å; F262-F462 HydrophobicContact CB-CE2 4.3Å; F262-F462 HydrophobicContact CB-CZ 4.36Å; M263-F462 HydrophobicContact CB-CD1 4.23Å; M263-F462 HydrophobicContact CB-CD2 4.17Å; M263-F462 HydrophobicContact CB-CE1 3.87Å; M263-F462 HydrophobicContact CB-CE2 3.8Å; M263-F462 HydrophobicContact CB-CG 4.38Å; M263-F462 HydrophobicContact CB-CZ 3.66Å; M263-F462 HydrophobicContact CE-CB 4.49Å; M263-F462 HydrophobicContact CG-CD1 4.39Å; M263-F462 HydrophobicContact CG-CD2 4.44Å; M263-F462 HydrophobicContact CG-CG 4.37Å; M263-F462 HydrophobicContact SD-CB 3.52Å; M263-F462 VanDerWaalsContact SD-CB 3.52Å; M263-F462 HydrophobicContact SD-CD1 3.81Å; M263-F462 HydrophobicContact SD-CD2 3.45Å; M263-F462 WeakPolarHBondContact SD-CD2 3.33Å; M263-F462 HydrophobicContact SD-CE1 4.4Å; M263-F462 HydrophobicContact SD-CE2 4.09Å; M263-F462 HydrophobicContact SD-CG 3.3Å; M263-F462 WeakPolarHBondContact SD-CG 3.36Å; T434-F462 WeakPolarHBondContact OG1-CE2 3.39Å; G435-F462 WeakPolarHBondContact O-CD2 3.25Å; G435-F462 PolarHBondContact O-N 3.31Å; H436-F462 CarbonylContact C-O 3.54Å; H436-F462 VanDerWaalsContact CA-O 3.26Å; H436-F462 WeakPolarHBondContact CA-O 3.45Å; H436-F462 HydrophobicContact CB-CB 4.46Å; S437-F462 PolarHBondContact N-O 3.45Å; A440-F462 VanDerWaalsContact CB-O 3.31Å; A440-F462 WeakPolarHBondContact CB-O 3.39Å; F460-F462 HydrophobicContact CB-CE2 3.82Å; F460-F462 HydrophobicContact CB-CZ 3.84Å; F460-F462 HydrophobicContact CD1-CZ 4.36Å; F462-L484 HydrophobicContact CD1-CB 4.04Å; F462-L484 HydrophobicContact CD1-CD1 4Å; F462-L484 HydrophobicContact CD1-CD2 4.45Å; F462-L484 HydrophobicContact CD1-CG 4.4Å; F462-L484 HydrophobicContact CE1-CB 4.48Å; F462-L484 HydrophobicContact CE1-CD1 3.74Å; F462-L484 HydrophobicContact CE1-CD2 4.11Å; F462-L484 HydrophobicContact CE1-CG 4.35Å; F462-M637 HydrophobicContact CB-CG 4.42Å; F462-M637 HydrophobicContact CD1-CG 4.18Å; F462-M637 HydrophobicContact CD1-SD 4.41Å; F462-L641 HydrophobicContact CD1-CD1 4.14Å; F462-L641 HydrophobicContact CE1-CD1 3.75Å
463S95.1Very high93.3Very high0 Ų031.4 Ų31.40%017%0.17CC..SBendtrans51.549.1178.4-750000114.1S437 L484 D489 C492 H632 M637S437-S463 VanDerWaalsContact CA-O 3.24Å; S437-S463 WeakPolarHBondContact CA-O 3.18Å; S463-L484 PolarHBondContact N-O 2.79Å; S463-D489 WeakPolarHBondContact CB-OD2 3.45Å; S463-D489 PolarHBondContact OG-OD2 3.21Å; S463-C492 VanDerWaalsContact C-SG 3.56Å; S463-C492 VanDerWaalsContact CA-SG 3.5Å; S463-H632 PolarHBondContact O-CE1 3.09Å; S463-M637 WeakPolarHBondContact OG-CE 3.48Å
464P94.8Very high93.4Very high0 Ų027.1 Ų27.10%014%0.144CC..  trans-64.216617931.2-35.9000111.9A440 A461 V468 T483 C492 P593A440-P464 HydrophobicContact CB-CB 3.84Å; A461-P464 HydrophobicContact CB-CG 4.38Å; P464-V468 HydrophobicContact CB-CG2 4.48Å; P464-T483 HydrophobicContact CG-CG2 3.46Å; P464-T483 VanDerWaalsContact CG-CG2 3.46Å; P464-C492 VanDerWaalsContact O-CA 3.26Å; P464-C492 WeakPolarHBondContact O-CA 3.19Å; P464-C492 PolarHBondContact O-SG 3.21Å; P464-P593 HydrophobicContact CG-CG 4.48Å
465L91.1Very high93.4Very high4 Ų431.2 Ų31.22%0.02117%0.165CC..  trans-61.2149.4171.7-67.6171.8000111D371 I402 L438 S441 C467 V468 A491D371-L465 HydrophobicContact CB-CD1 4.38Å; D371-L465 HydrophobicContact CB-CD2 4.47Å; I402-L465 HydrophobicContact CD1-CD1 4.07Å; L438-L465 HydrophobicContact CD1-CD1 4.09Å; S441-L465 PolarHBondContact OG-N 3.42Å; L465-C467 PolarHBondContact O-N 2.69Å; L465-C467 VanDerWaalsContact O-N 3.09Å; L465-V468 WeakPolarHBondContact O-CG2 3.41Å; L465-A491 CarbonylContact C-O 3.54Å; L465-A491 WeakPolarHBondContact CA-O 3.19Å; L465-A491 HydrophobicContact CD2-CB 4.26Å
466G88.3Confident93.5Very high7 Ų728.1 Ų28.17%0.07214%0.142CC..THydrogen-bonded Turntrans-71.65.5178.300000115.5A491 C492 L494 C591G466-A491 PolarHBondContact N-O 3.48Å; G466-C492 WeakPolarHBondContact CA-O 3.3Å; G466-L494 CarbonylContact C-O 3.29Å; G466-L494 WeakPolarHBondContact CA-O 3.38Å; G466-C591 CarbonylContact O-C 3.47Å; G466-C591 VanDerWaalsContact O-CA 3.25Å; G466-C591 WeakPolarHBondContact O-CA 3.41Å
467C89Confident93.6Very high3 Ų324.9 Ų24.92%0.0212%0.119CC..THydrogen-bonded Turntrans-141.144.8-167.258.80000112.5H399 L465 L494 L590H399-C467 WeakPolarHBondContact CB-O 3.36Å; L465-C467 PolarHBondContact O-N 2.69Å; L465-C467 VanDerWaalsContact O-N 3.09Å; C467-L494 PolarHBondContact SG-O 3.46Å; C467-L590 HydrophobicContact CB-CB 4.04Å; C467-L590 VanDerWaalsContact O-CD1 3.3Å; C467-L590 WeakPolarHBondContact O-CD1 3.5Å
468V92.3Very high93.4Very high0 Ų026.9 Ų26.90%013%0.128CC..SBendtrans-82.6-54.3-174.6-176.50000112.5V398 H399 I402 S441 V445 P464 L465 C591 P593V398-V468 CarbonylContact C-O 3.56Å; V398-V468 WeakPolarHBondContact CA-O 3.31Å; V398-V468 VanDerWaalsContact CG1-O 3.24Å; V398-V468 WeakPolarHBondContact CG1-O 3.39Å; H399-V468 PolarHBondContact N-O 2.77Å; I402-V468 HydrophobicContact CD1-CG2 4.21Å; S441-V468 WeakPolarHBondContact OG-CG2 3.37Å; V445-V468 HydrophobicContact CG2-CG1 3.69Å; P464-V468 HydrophobicContact CB-CG2 4.48Å; L465-V468 WeakPolarHBondContact O-CG2 3.41Å; V468-C591 PolarHBondContact N-O 2.84Å; V468-P593 HydrophobicContact CB-CB 4.4Å; V468-P593 HydrophobicContact CB-CG 4.12Å; V468-P593 HydrophobicContact CG1-CB 4.34Å; V468-P593 HydrophobicContact CG1-CG 4.19Å; V468-P593 HydrophobicContact CG2-CG 4.09Å
469A92.7Very high93.2Very high1 Ų127.6 Ų27.61%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-140.2156.3-171.600000111.4Y397 T473 M477 L590 C591Y397-A469 CarbonylContact O-C 3.59Å; Y397-A469 WeakPolarHBondContact O-CA 3.41Å; A469-T473 HydrophobicContact CB-CG2 3.89Å; A469-M477 HydrophobicContact CB-SD 4.18Å; A469-L590 CarbonylContact O-C 3.56Å; A469-L590 WeakPolarHBondContact O-CA 3.34Å; A469-C591 PolarHBondContact N-O 2.93Å; A469-C591 PolarHBondContact O-N 2.61Å; A469-C591 PolarHBondContact O-SG 3.05Å
470D92.1Very high93.1Very high13 Ų1327.6 Ų27.67%0.0713%0.133CC..EExtended strand (participates in β ladder)trans-65.8166.8171.972.1-70.3000111.9Y397 N472 T473 S474 I588 L590Y397-D470 PolarHBondContact N-OD1 2.57Å; Y397-D470 PolarHBondContact O-N 3.23Å; Y397-D470 VanDerWaalsContact O-OD1 3.12Å; D470-N472 VanDerWaalsContact C-N 3.35Å; D470-N472 PolarHBondContact O-N 3.11Å; D470-N472 WeakPolarHBondContact OD2-CB 3Å; D470-N472 PolarHBondContact OD2-N 2.64Å; D470-T473 PolarHBondContact O-N 2.76Å; D470-T473 WeakPolarHBondContact OD1-CB 3.43Å; D470-T473 PolarHBondContact OD1-OG1 3.16Å; D470-T473 PolarHBondContact OD2-N 3.42Å; D470-S474 WeakPolarHBondContact O-CB 2.94Å; D470-S474 PolarHBondContact O-N 3.03Å; D470-I588 HydrophobicContact CB-CG2 4.08Å; D470-L590 HydrophobicContact CB-CD2 4.37Å
471E90.2Very high93Very high149 Ų14927.5 Ų27.570%0.69613%0.133SC*.Hα-helixtrans-59.5-41.4-173.1-169.8169.2-172.800113S474 H475E471-S474 PolarHBondContact O-N 3.2Å; E471-H475 WeakPolarHBondContact O-CB 3.35Å; E471-H475 PolarHBondContact O-N 3.08Å
472N90.7Very high92.9Very high117 Ų11727.5 Ų27.563%0.62613%0.133SC*.Hα-helixtrans-67.8-44.8-179.9-67.2-19.4000111.2D470 H475 Y476D470-N472 VanDerWaalsContact C-N 3.35Å; D470-N472 PolarHBondContact O-N 3.11Å; D470-N472 WeakPolarHBondContact OD2-CB 3Å; D470-N472 PolarHBondContact OD2-N 2.64Å; N472-H475 WeakPolarHBondContact O-CB 3.4Å; N472-H475 PolarHBondContact O-N 2.91Å; N472-Y476 PolarHBondContact O-N 2.95Å
473T92.7Very high92.9Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-63.9-44.1176.3-57.10000111.2C396 L448 A469 D470 H475 Y476 M477C396-T473 VanDerWaalsContact CA-OG1 3.24Å; C396-T473 WeakPolarHBondContact CA-OG1 3.32Å; C396-T473 HydrophobicContact CB-CG2 3.87Å; C396-T473 WeakPolarHBondContact CB-OG1 3.49Å; C396-T473 PolarHBondContact SG-OG1 3.02Å; C396-T473 VanDerWaalsContact SG-OG1 3.41Å; L448-T473 HydrophobicContact CD2-CG2 3.67Å; A469-T473 HydrophobicContact CB-CG2 3.89Å; D470-T473 PolarHBondContact O-N 2.76Å; D470-T473 WeakPolarHBondContact OD1-CB 3.43Å; D470-T473 PolarHBondContact OD1-OG1 3.16Å; D470-T473 PolarHBondContact OD2-N 3.42Å; T473-H475 VanDerWaalsContact C-N 3.3Å; T473-H475 PolarHBondContact O-N 3.09Å; T473-Y476 WeakPolarHBondContact O-CB 3.46Å; T473-Y476 PolarHBondContact O-N 3.33Å; T473-M477 HydrophobicContact CG2-CG 4.41Å; T473-M477 HydrophobicContact CG2-SD 3.92Å; T473-M477 WeakPolarHBondContact O-CG 3.34Å; T473-M477 PolarHBondContact O-N 3.33Å
474S92.9Very high92.9Very high5 Ų527.6 Ų27.64%0.03513%0.133CC..Hα-helixtrans-61.5-39.7177.1-173.50000111.8D470 E471 M477 K478 C591 C592 P593 G594D470-S474 WeakPolarHBondContact O-CB 2.94Å; D470-S474 PolarHBondContact O-N 3.03Å; E471-S474 PolarHBondContact O-N 3.2Å; S474-M477 WeakPolarHBondContact O-CB 3.4Å; S474-M477 PolarHBondContact O-N 2.69Å; S474-K478 PolarHBondContact O-N 2.93Å; S474-C591 VanDerWaalsContact CB-SG 3.58Å; S474-C592 PolarHBondContact OG-O 2.97Å; S474-P593 WeakPolarHBondContact OG-CA 3.24Å; S474-G594 PolarHBondContact OG-N 3.45Å
475H92.1Very high92.8Very high130 Ų13027.6 Ų27.660%0.60213%0.133SC*.Hα-helixtrans-60.7-45.8174-172.185.2000112E471 N472 T473 M477 K478E471-H475 WeakPolarHBondContact O-CB 3.35Å; E471-H475 PolarHBondContact O-N 3.08Å; N472-H475 WeakPolarHBondContact O-CB 3.4Å; N472-H475 PolarHBondContact O-N 2.91Å; T473-H475 VanDerWaalsContact C-N 3.3Å; T473-H475 PolarHBondContact O-N 3.09Å; H475-M477 VanDerWaalsContact C-N 3.32Å; H475-M477 PolarHBondContact O-N 2.74Å; H475-K478 VanDerWaalsContact O-CB 3.24Å; H475-K478 WeakPolarHBondContact O-CB 3.32Å; H475-K478 PolarHBondContact O-N 2.75Å; H475-K478 VanDerWaalsContact O-N 3.14Å
476Y92.8Very high92.9Very high22 Ų2227.4 Ų27.49%0.08613%0.132CC..Hα-helixtrans-60.1-42.8174.4177-109000112D391 I392 P393 L448 H451 N472 T473 K478 K479 F480D391-Y476 WeakPolarHBondContact O-CD2 3.2Å; I392-Y476 HydrophobicContact CB-CE2 4.39Å; I392-Y476 HydrophobicContact CG1-CE2 3.82Å; P393-Y476 HydrophobicContact CG-CG 4.32Å; L448-Y476 HydrophobicContact CD1-CD1 3.76Å; L448-Y476 HydrophobicContact CD1-CE1 3.79Å; H451-Y476 AromaticContact CD2-CE1 4Å; H451-Y476 AromaticContact CD2-CZ 3.78Å; H451-Y476 PolarHBondContact CD2-OH 3.16Å; N472-Y476 PolarHBondContact O-N 2.95Å; T473-Y476 WeakPolarHBondContact O-CB 3.46Å; T473-Y476 PolarHBondContact O-N 3.33Å; Y476-K478 PolarHBondContact O-N 3.29Å; Y476-K478 VanDerWaalsContact O-N 3.14Å; Y476-K479 HydrophobicContact CD2-CD 4.34Å; Y476-K479 HydrophobicContact CE2-CD 4.29Å; Y476-K479 PolarHBondContact O-N 2.99Å; Y476-F480 HydrophobicContact CD1-CE1 4.07Å; Y476-F480 HydrophobicContact CD1-CZ 4.44Å; Y476-F480 AromaticContact CE1-CE1 3.82Å; Y476-F480 HydrophobicContact CE1-CE1 3.82Å; Y476-F480 HydrophobicContact CE1-CZ 4.27Å
477M94.8Very high92.9Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-62.2-19.3177.8-68.117183.300113.1S444 L448 A469 T473 S474 H475 K479 F480 V481 P593S444-M477 WeakPolarHBondContact O-CE 3.28Å; L448-M477 HydrophobicContact CB-CE 4.35Å; L448-M477 HydrophobicContact CD1-CG 4.2Å; L448-M477 HydrophobicContact CD2-SD 4.36Å; A469-M477 HydrophobicContact CB-SD 4.18Å; T473-M477 HydrophobicContact CG2-CG 4.41Å; T473-M477 HydrophobicContact CG2-SD 3.92Å; T473-M477 WeakPolarHBondContact O-CG 3.34Å; T473-M477 PolarHBondContact O-N 3.33Å; S474-M477 WeakPolarHBondContact O-CB 3.4Å; S474-M477 PolarHBondContact O-N 2.69Å; H475-M477 VanDerWaalsContact C-N 3.32Å; H475-M477 PolarHBondContact O-N 2.74Å; M477-K479 PolarHBondContact O-N 2.69Å; M477-F480 HydrophobicContact CB-CZ 4.3Å; M477-F480 HydrophobicContact CG-CE2 4.42Å; M477-F480 HydrophobicContact CG-CZ 3.94Å; M477-F480 PolarHBondContact O-N 2.81Å; M477-F480 VanDerWaalsContact O-N 3.1Å; M477-V481 HydrophobicContact CB-CB 4.21Å; M477-V481 HydrophobicContact CB-CG2 3.93Å; M477-V481 HydrophobicContact CE-CG2 3.88Å; M477-V481 HydrophobicContact CG-CG2 4.42Å; M477-V481 WeakPolarHBondContact O-CB 2.97Å; M477-V481 PolarHBondContact O-N 3.33Å; M477-P593 HydrophobicContact CE-CB 3.59Å; M477-P593 HydrophobicContact SD-CB 3.95Å
478K93.2Very high92.8Very high41 Ų4128.1 Ų28.118%0.17814%0.137CC..THydrogen-bonded Turntrans-57.2-17.8174.1-69.1-174.9176.1-173.70113S474 H475 Y476 R595 E615S474-K478 PolarHBondContact O-N 2.93Å; H475-K478 VanDerWaalsContact O-CB 3.24Å; H475-K478 WeakPolarHBondContact O-CB 3.32Å; H475-K478 PolarHBondContact O-N 2.75Å; H475-K478 VanDerWaalsContact O-N 3.14Å; Y476-K478 PolarHBondContact O-N 3.29Å; Y476-K478 VanDerWaalsContact O-N 3.14Å; K478-R595 HydrophobicContact CB-CG 3.73Å; K478-R595 HydrophobicContact CD-CG 4.47Å; K478-R595 HydrophobicContact CG-CG 3.94Å; K478-R595 WeakPolarHBondContact O-CD 3.38Å; K478-R595 WeakPolarHBondContact O-CG 3.48Å; K478-R595 PolarHBondContact O-NE 3.43Å; K478-E615 IonicContact NZ-OE1 2.8Å; K478-E615 PolarHBondContact NZ-OE1 3.23Å; K478-E615 IonicContact NZ-OE2 3.61Å; K478-E615 PolarHBondContact NZ-OE2 2.88Å
479K92.4Very high92.6Very high85 Ų8528.1 Ų28.137%0.3714%0.137SC..THydrogen-bonded Turntrans-70.9-31.4177.9-66.7179.1-179.5-178.50113.1D391 Y476 M477D391-K479 IonicContact OD2-NZ 3.86Å; D391-K479 PolarHBondContact OD2-NZ 3.42Å; Y476-K479 HydrophobicContact CD2-CD 4.34Å; Y476-K479 HydrophobicContact CE2-CD 4.29Å; Y476-K479 PolarHBondContact O-N 2.99Å; M477-K479 PolarHBondContact O-N 2.69Å
480F95.5Very high92.3Very high0 Ų031.4 Ų31.40%015%0.151CC..THydrogen-bonded Turntrans-138.2-11.3-171.356.6-89.2000115L448 H451 V457 R458 C459 Y476 M477L448-F480 HydrophobicContact CB-CE2 4.46Å; L448-F480 HydrophobicContact CB-CZ 4.3Å; L448-F480 HydrophobicContact CD1-CZ 3.94Å; H451-F480 HydrophobicContact CB-CE1 4.31Å; H451-F480 HydrophobicContact CB-CZ 4.24Å; H451-F480 AromaticContact CD2-CD1 3.43Å; H451-F480 VanDerWaalsContact CD2-CD1 3.43Å; H451-F480 WeakPolarHBondContact CD2-CD1 3.34Å; H451-F480 AromaticContact CD2-CE1 3.26Å; H451-F480 WeakPolarHBondContact CD2-CE1 3.37Å; H451-F480 AromaticContact CE1-CD1 3.83Å; H451-F480 AromaticContact CG-CD1 3.85Å; H451-F480 AromaticContact CG-CE1 3.82Å; H451-F480 AromaticContact NE2-CD1 3.43Å; H451-F480 WeakPolarHBondContact NE2-CD1 3.01Å; H451-F480 AromaticContact NE2-CE1 3.73Å; V457-F480 HydrophobicContact CG1-CD2 4.4Å; V457-F480 VanDerWaalsContact O-CB 3.31Å; V457-F480 WeakPolarHBondContact O-CB 3.41Å; R458-F480 CarbonylContact C-O 3.42Å; R458-F480 WeakPolarHBondContact CA-O 3.4Å; C459-F480 PolarHBondContact N-O 2.7Å; Y476-F480 HydrophobicContact CD1-CE1 4.07Å; Y476-F480 HydrophobicContact CD1-CZ 4.44Å; Y476-F480 AromaticContact CE1-CE1 3.82Å; Y476-F480 HydrophobicContact CE1-CE1 3.82Å; Y476-F480 HydrophobicContact CE1-CZ 4.27Å; M477-F480 HydrophobicContact CB-CZ 4.3Å; M477-F480 HydrophobicContact CG-CE2 4.42Å; M477-F480 HydrophobicContact CG-CZ 3.94Å; M477-F480 PolarHBondContact O-N 2.81Å; M477-F480 VanDerWaalsContact O-N 3.1Å
481V96.5Very high92.1Very high0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-106.2125178.7-176.10000110.9C459 A461 M477 P593 R595C459-V481 HydrophobicContact CB-CB 4.15Å; C459-V481 HydrophobicContact CB-CG1 4.03Å; C459-V481 HydrophobicContact CB-CG2 3.83Å; A461-V481 HydrophobicContact CB-CG1 4.44Å; M477-V481 HydrophobicContact CB-CB 4.21Å; M477-V481 HydrophobicContact CB-CG2 3.93Å; M477-V481 HydrophobicContact CE-CG2 3.88Å; M477-V481 HydrophobicContact CG-CG2 4.42Å; M477-V481 WeakPolarHBondContact O-CB 2.97Å; M477-V481 PolarHBondContact O-N 3.33Å; V481-P593 HydrophobicContact CG1-CB 4.4Å; V481-R595 PolarHBondContact O-N 3.3Å
482C95.3Very high92.1Very high1 Ų123.8 Ų23.81%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-110.1121.1169.5175.60000109W253 M254 C459 A461 Y597W253-C482 HydrophobicContact CH2-CB 3.61Å; W253-C482 HydrophobicContact CZ3-CB 3.78Å; M254-C482 HydrophobicContact CG-CB 4.47Å; M254-C482 PolarHBondContact SD-SG 3.34Å; C459-C482 PolarHBondContact O-N 3.27Å; A461-C482 PolarHBondContact N-O 2.97Å; C482-Y597 VanDerWaalsContact SG-CD2 3.51Å
483T95.6Very high92Very high0 Ų018.3 Ų18.30%09%0.087CC..EExtended strand (participates in β ladder)trans-105129.8176.8-73.80000109.6A461 P464 V485 P593 R595 I596 Y597A461-T483 CarbonylContact O-C 3.47Å; A461-T483 VanDerWaalsContact O-CA 3.28Å; A461-T483 WeakPolarHBondContact O-CA 3.45Å; P464-T483 HydrophobicContact CG-CG2 3.46Å; P464-T483 VanDerWaalsContact CG-CG2 3.46Å; T483-V485 HydrophobicContact CG2-CG2 3.86Å; T483-P593 WeakPolarHBondContact CB-O 3.34Å; T483-P593 PolarHBondContact OG1-O 3.21Å; T483-R595 PolarHBondContact N-O 3.03Å; T483-I596 HydrophobicContact CG2-CG1 4.24Å; T483-I596 HydrophobicContact CG2-CG2 4.19Å; T483-I596 WeakPolarHBondContact O-CA 3.15Å; T483-Y597 PolarHBondContact O-N 2.95Å
484L95.1Very high91.5Very high2 Ų219.5 Ų19.51%0.019%0.093CC..EExtended strand (participates in β ladder)trans-114.5123.6175.1-6590.7000109.1A259 F460 A461 F462 S463 Y597 L599 M637 L641A259-L484 HydrophobicContact CB-CD2 3.99Å; F460-L484 HydrophobicContact CD1-CD1 4.42Å; A461-L484 PolarHBondContact O-N 3.12Å; F462-L484 HydrophobicContact CD1-CB 4.04Å; F462-L484 HydrophobicContact CD1-CD1 4Å; F462-L484 HydrophobicContact CD1-CD2 4.45Å; F462-L484 HydrophobicContact CD1-CG 4.4Å; F462-L484 HydrophobicContact CE1-CB 4.48Å; F462-L484 HydrophobicContact CE1-CD1 3.74Å; F462-L484 HydrophobicContact CE1-CD2 4.11Å; F462-L484 HydrophobicContact CE1-CG 4.35Å; S463-L484 PolarHBondContact N-O 2.79Å; L484-Y597 WeakPolarHBondContact CA-O 3.27Å; L484-L599 HydrophobicContact CB-CD1 4.13Å; L484-L599 HydrophobicContact CD2-CD1 4.17Å; L484-L599 HydrophobicContact CG-CD1 4.49Å; L484-M637 HydrophobicContact CB-CE 4.31Å; L484-M637 HydrophobicContact CB-SD 4.43Å; L484-M637 VanDerWaalsContact O-CE 3.31Å; L484-M637 WeakPolarHBondContact O-CE 3.49Å; L484-L641 HydrophobicContact CD2-CD2 3.73Å
485V94Very high91Very high0 Ų019.8 Ų19.80%09%0.094CC..EExtended strand (participates in β ladder)trans-119132.5179.8-1770000109.1T483 D489 C492 I596 Y597 H598 L599 F619T483-V485 HydrophobicContact CG2-CG2 3.86Å; V485-D489 HydrophobicContact CG1-CB 3.99Å; V485-C492 HydrophobicContact CG1-CB 3.71Å; V485-C492 VanDerWaalsContact CG1-SG 3.54Å; V485-C492 HydrophobicContact CG2-CB 4.11Å; V485-I596 HydrophobicContact CG2-CG2 3.93Å; V485-Y597 PolarHBondContact N-O 3.5Å; V485-H598 CarbonylContact O-C 3.47Å; V485-H598 WeakPolarHBondContact O-CA 3.32Å; V485-H598 PolarHBondContact O-CD2 3.24Å; V485-L599 PolarHBondContact O-N 2.91Å; V485-F619 HydrophobicContact CB-CE1 3.87Å; V485-F619 HydrophobicContact CB-CZ 4.11Å; V485-F619 HydrophobicContact CG1-CD1 4.23Å; V485-F619 HydrophobicContact CG1-CE1 3.53Å; V485-F619 HydrophobicContact CG1-CZ 4.27Å; V485-F619 HydrophobicContact CG2-CE1 4.04Å; V485-F619 HydrophobicContact CG2-CZ 4.16Å
486L91.7Very high90.4Very high0 Ų014.2 Ų14.20%07%0.068CC..EExtended strand (participates in β ladder)trans-98.7129.8178.2-176.865.2000111D488 D489 L599 F609 D631 S636 M637 A640L486-D488 PolarHBondContact O-N 3.29Å; L486-D489 VanDerWaalsContact O-CB 3.28Å; L486-D489 WeakPolarHBondContact O-CB 3.4Å; L486-D489 PolarHBondContact O-N 2.94Å; L486-D489 VanDerWaalsContact O-N 3.1Å; L486-L599 HydrophobicContact CD1-CB 3.73Å; L486-F609 HydrophobicContact CD1-CD1 3.85Å; L486-F609 HydrophobicContact CD1-CE1 3.49Å; L486-F609 VanDerWaalsContact CD1-CE1 3.49Å; L486-F609 HydrophobicContact CD1-CZ 4.29Å; L486-D631 HydrophobicContact CD2-CB 4.4Å; L486-D631 HydrophobicContact CG-CB 4.28Å; L486-S636 VanDerWaalsContact CD2-C 3.45Å; L486-M637 HydrophobicContact CB-CE 3.79Å; L486-M637 HydrophobicContact CB-SD 4.44Å; L486-A640 HydrophobicContact CD1-CB 3.65Å; L486-A640 HydrophobicContact CD2-CB 4.46Å
487G89.1Confident89.9Confident13 Ų1316.5 Ų16.513%0.1348%0.08CC..THydrogen-bonded Turntrans50.2-129.1166.100000113.9H598 L599G487-H598 PolarHBondContact O-NE2 2.96Å; G487-L599 PolarHBondContact N-O 2.87Å
488D86.6Confident89.4Confident12 Ų1216.6 Ų16.66%0.0648%0.081CC..THydrogen-bonded Turntrans-101.534.1-179-61.3-48.8000112.3L486 F490 R623 S625 M628 D631L486-D488 PolarHBondContact O-N 3.29Å; D488-F490 PolarHBondContact O-N 3.49Å; D488-R623 HydrophobicContact CB-CB 4.18Å; D488-R623 VanDerWaalsContact OD1-CD 3.26Å; D488-R623 WeakPolarHBondContact OD1-CD 3.45Å; D488-R623 IonicContact OD1-NH1 3.36Å; D488-S625 WeakPolarHBondContact CB-OG 3.45Å; D488-S625 VanDerWaalsContact OD2-CB 3.25Å; D488-S625 WeakPolarHBondContact OD2-CB 3.3Å; D488-S625 PolarHBondContact OD2-OG 3.45Å; D488-S625 VanDerWaalsContact OD2-OG 3.05Å; D488-M628 HydrophobicContact CB-CB 4.43Å; D488-M628 VanDerWaalsContact O-CA 3.32Å; D488-M628 WeakPolarHBondContact O-CA 3.15Å; D488-M628 VanDerWaalsContact O-CB 3.26Å; D488-M628 WeakPolarHBondContact O-CB 3.25Å; D488-D631 PolarHBondContact N-OD2 3.45Å
489D89Confident88.8Confident0 Ų015.7 Ų15.70%08%0.078CC..  trans-42.7115.8-179.9-174.6-31000112.3S463 V485 L486 A491 C492 H632S463-D489 WeakPolarHBondContact CB-OD2 3.45Å; S463-D489 PolarHBondContact OG-OD2 3.21Å; V485-D489 HydrophobicContact CG1-CB 3.99Å; L486-D489 VanDerWaalsContact O-CB 3.28Å; L486-D489 WeakPolarHBondContact O-CB 3.4Å; L486-D489 PolarHBondContact O-N 2.94Å; L486-D489 VanDerWaalsContact O-N 3.1Å; D489-A491 VanDerWaalsContact C-N 3.33Å; D489-A491 PolarHBondContact O-N 3.41Å; D489-A491 WeakPolarHBondContact OD1-CB 3.47Å; D489-A491 PolarHBondContact OD1-N 3.24Å; D489-C492 HydrophobicContact CB-CB 4.36Å; D489-C492 VanDerWaalsContact CG-SG 3.59Å; D489-C492 PolarHBondContact OD1-N 2.94Å; D489-H632 VanDerWaalsContact CG-ND1 3.27Å; D489-H632 WeakPolarHBondContact OD1-CB 3.41Å; D489-H632 IonicContact OD1-CE1 2.95Å; D489-H632 IonicContact OD1-CG 3.62Å; D489-H632 IonicContact OD1-ND1 2.72Å; D489-H632 PolarHBondContact OD1-ND1 3Å; D489-H632 WeakPolarHBondContact OD2-CA 3.39Å; D489-H632 IonicContact OD2-CE1 3.63Å; D489-H632 IonicContact OD2-CG 3.42Å; D489-H632 IonicContact OD2-ND1 3.4Å; D489-H632 PolarHBondContact OD2-ND1 3.39Å
490F85.4Confident88.3Confident69 Ų6914.7 Ų14.730%0.3038%0.076SC..SBendtrans-67-34.6-175.390.6-85.9000112.3D488 R493 L494 M628 H632D488-F490 PolarHBondContact O-N 3.49Å; F490-R493 CarbonylContact O-C 3.56Å; F490-R493 PolarHBondContact O-N 3.4Å; F490-R493 VanDerWaalsContact O-N 3.12Å; F490-L494 HydrophobicContact CE2-CD2 4.42Å; F490-L494 PolarHBondContact O-N 3.2Å; F490-L494 VanDerWaalsContact O-N 3.09Å; F490-M628 HydrophobicContact CB-CB 4.26Å; F490-M628 HydrophobicContact CB-CG 4.26Å; F490-M628 PolarHBondContact N-O 2.86Å; F490-M628 VanDerWaalsContact N-O 3.14Å; F490-H632 HydrophobicContact CD1-CB 4.13Å; F490-H632 HydrophobicContact CE1-CB 4.14Å
491A88.2Confident87.8Confident2 Ų220.8 Ų20.82%0.01710%0.099CC..G310 helixtrans-70.8-38.9-172.400000110.5L465 G466 D489 R493 L494 H632L465-A491 CarbonylContact C-O 3.54Å; L465-A491 WeakPolarHBondContact CA-O 3.19Å; L465-A491 HydrophobicContact CD2-CB 4.26Å; G466-A491 PolarHBondContact N-O 3.48Å; D489-A491 VanDerWaalsContact C-N 3.33Å; D489-A491 PolarHBondContact O-N 3.41Å; D489-A491 WeakPolarHBondContact OD1-CB 3.47Å; D489-A491 PolarHBondContact OD1-N 3.24Å; A491-R493 PolarHBondContact O-N 3Å; A491-L494 WeakPolarHBondContact O-CB 3.27Å; A491-L494 PolarHBondContact O-N 2.96Å; A491-L494 VanDerWaalsContact O-N 3.11Å; A491-H632 WeakPolarHBondContact CB-CE1 3.43Å; A491-H632 WeakPolarHBondContact CB-ND1 3.39Å
492C90.3Very high87.2Confident0 Ų022 Ų220%011%0.105CC..G310 helixtrans-63.7-17.9173.9-62.20000113S463 P464 G466 V485 D489 C592 F619S463-C492 VanDerWaalsContact C-SG 3.56Å; S463-C492 VanDerWaalsContact CA-SG 3.5Å; P464-C492 VanDerWaalsContact O-CA 3.26Å; P464-C492 WeakPolarHBondContact O-CA 3.19Å; P464-C492 PolarHBondContact O-SG 3.21Å; G466-C492 WeakPolarHBondContact CA-O 3.3Å; V485-C492 HydrophobicContact CG1-CB 3.71Å; V485-C492 VanDerWaalsContact CG1-SG 3.54Å; V485-C492 HydrophobicContact CG2-CB 4.11Å; D489-C492 HydrophobicContact CB-CB 4.36Å; D489-C492 VanDerWaalsContact CG-SG 3.59Å; D489-C492 PolarHBondContact OD1-N 2.94Å; C492-C592 PolarHBondContact O-SG 3.47Å; C492-C592 VanDerWaalsContact O-SG 3.37Å; C492-F619 HydrophobicContact CB-CD1 4.35Å
493R88.3Confident86.7Confident3 Ų323.3 Ų23.31%0.01111%0.111CC..G310 helixtrans-104.7-4179.7-62.5169.6178.5-66.4-12112.6F490 A491 S495 S498 G618 F619 E621 I622F490-R493 CarbonylContact O-C 3.56Å; F490-R493 PolarHBondContact O-N 3.4Å; F490-R493 VanDerWaalsContact O-N 3.12Å; A491-R493 PolarHBondContact O-N 3Å; R493-S495 PolarHBondContact O-N 3.38Å; R493-S498 VanDerWaalsContact O-CB 3.22Å; R493-S498 WeakPolarHBondContact O-CB 3.4Å; R493-S498 PolarHBondContact O-OG 3.49Å; R493-G618 PolarHBondContact NH1-O 3.27Å; R493-F619 VanDerWaalsContact CA-O 3.28Å; R493-F619 WeakPolarHBondContact CA-O 3.29Å; R493-F619 HydrophobicContact CG-CB 4.36Å; R493-F619 HydrophobicContact CG-CD1 4.22Å; R493-E621 VanDerWaalsContact CD-O 3.27Å; R493-E621 WeakPolarHBondContact CD-O 3.43Å; R493-E621 PolarHBondContact NH1-O 3.26Å; R493-E621 VanDerWaalsContact NH1-O 3.07Å; R493-I622 HydrophobicContact CB-CG1 4.09Å
494L83.4Confident86.2Confident25 Ų2525.3 Ų25.313%0.13113%0.127CC..  trans-81115.7-175.5-168.368.5000110.4G466 C467 F490 A491 L499 I622G466-L494 CarbonylContact C-O 3.29Å; G466-L494 WeakPolarHBondContact CA-O 3.38Å; C467-L494 PolarHBondContact SG-O 3.46Å; F490-L494 HydrophobicContact CE2-CD2 4.42Å; F490-L494 PolarHBondContact O-N 3.2Å; F490-L494 VanDerWaalsContact O-N 3.09Å; A491-L494 WeakPolarHBondContact O-CB 3.27Å; A491-L494 PolarHBondContact O-N 2.96Å; A491-L494 VanDerWaalsContact O-N 3.11Å; L494-L499 HydrophobicContact CD1-CD1 4.11Å; L494-L499 HydrophobicContact CD1-CD2 3.85Å; L494-L499 HydrophobicContact CD1-CG 4Å; L494-I622 HydrophobicContact CD1-CD1 4.35Å
495S82.5Confident85.8Confident10 Ų1027.7 Ų27.77%0.0714%0.139CC..  trans-152.1162.7174.168.90000110.6R493 H497 S498 L499R493-S495 PolarHBondContact O-N 3.38Å; S495-H497 VanDerWaalsContact C-N 3.27Å; S495-H497 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact N-OG 2.81Å; S495-S498 PolarHBondContact O-N 3.24Å; S495-S498 PolarHBondContact O-OG 3.39Å; S495-S498 VanDerWaalsContact OG-CB 3.3Å; S495-S498 WeakPolarHBondContact OG-CB 3.46Å; S495-S498 PolarHBondContact OG-N 2.88Å; S495-S498 PolarHBondContact OG-OG 3.01Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.35Å
496Y79.3Confident85.4Confident13 Ų1328.1 Ų28.15%0.05114%0.142CC..Hα-helixtrans-55.7-44176.6-177.3-108.4000111.7F210 L499 L500 R587F210-Y496 AromaticContact CD1-CE2 3.88Å; F210-Y496 HydrophobicContact CD1-CE2 3.88Å; F210-Y496 HydrophobicContact CD2-CE2 4.16Å; F210-Y496 HydrophobicContact CE1-CE2 4.02Å; F210-Y496 HydrophobicContact CE2-CE2 4.29Å; F210-Y496 WeakPolarHBondContact CE2-OH 3.32Å; F210-Y496 AromaticContact CG-CE2 3.98Å; F210-Y496 HydrophobicContact CG-CE2 3.98Å; F210-Y496 HydrophobicContact CZ-CE2 4.26Å; Y496-L499 PolarHBondContact O-N 3.14Å; Y496-L500 HydrophobicContact CD1-CD1 3.66Å; Y496-L500 HydrophobicContact CE1-CD1 3.3Å; Y496-L500 HydrophobicContact CE1-CG 4.21Å; Y496-L500 HydrophobicContact CG-CD1 4.48Å; Y496-L500 PolarHBondContact O-N 3.05Å; Y496-R587 HydrophobicContact CD1-CB 4.44Å
497H82.8Confident85.1Confident70 Ų7034 Ų3432%0.32416%0.164SC..Hα-helixtrans-67.1-40.2178.6-64-74.6000113S495 L499 L500 R501S495-H497 VanDerWaalsContact C-N 3.27Å; S495-H497 PolarHBondContact O-N 2.89Å; H497-L499 VanDerWaalsContact C-N 3.31Å; H497-L499 PolarHBondContact O-N 3.11Å; H497-L500 WeakPolarHBondContact O-CB 3.45Å; H497-L500 PolarHBondContact O-N 2.8Å; H497-R501 PolarHBondContact O-N 3.34Å
498S83.9Confident84.9Confident3 Ų336.3 Ų36.32%0.02117%0.171CC..Hα-helixtrans-64.4-36.8176.471.50000112R493 S495 R501 L502 E620R493-S498 VanDerWaalsContact O-CB 3.22Å; R493-S498 WeakPolarHBondContact O-CB 3.4Å; R493-S498 PolarHBondContact O-OG 3.49Å; S495-S498 PolarHBondContact N-OG 2.81Å; S495-S498 PolarHBondContact O-N 3.24Å; S495-S498 PolarHBondContact O-OG 3.39Å; S495-S498 VanDerWaalsContact OG-CB 3.3Å; S495-S498 WeakPolarHBondContact OG-CB 3.46Å; S495-S498 PolarHBondContact OG-N 2.88Å; S495-S498 PolarHBondContact OG-OG 3.01Å; S498-R501 PolarHBondContact O-N 3.03Å; S498-L502 VanDerWaalsContact O-CB 3.28Å; S498-L502 WeakPolarHBondContact O-CB 3.19Å; S498-L502 PolarHBondContact O-N 3.35Å; S498-E620 WeakPolarHBondContact CB-O 3.43Å
499L80.2Confident84.9Confident22 Ų2236.8 Ų36.812%0.11518%0.177CC..Hα-helixtrans-70.3-40.5176.5-72.8175.3000111.8V207 I374 L494 S495 Y496 H497 R501 L502 K503 I622V207-L499 HydrophobicContact CG1-CD1 4.44Å; I374-L499 HydrophobicContact CD1-CD1 3.6Å; L494-L499 HydrophobicContact CD1-CD1 4.11Å; L494-L499 HydrophobicContact CD1-CD2 3.85Å; L494-L499 HydrophobicContact CD1-CG 4Å; S495-L499 WeakPolarHBondContact O-CG 3.47Å; S495-L499 PolarHBondContact O-N 3.35Å; Y496-L499 PolarHBondContact O-N 3.14Å; H497-L499 VanDerWaalsContact C-N 3.31Å; H497-L499 PolarHBondContact O-N 3.11Å; L499-R501 VanDerWaalsContact C-N 3.34Å; L499-R501 PolarHBondContact O-N 2.89Å; L499-L502 PolarHBondContact O-N 3.22Å; L499-K503 VanDerWaalsContact O-CB 3.3Å; L499-K503 WeakPolarHBondContact O-CB 3.43Å; L499-K503 PolarHBondContact O-N 3.34Å; L499-I622 HydrophobicContact CD2-CD1 4.09Å
500L81.7Confident84.7Confident64 Ų6436.8 Ų36.834%0.33518%0.177SC..Hα-helixtrans-54.6-50.4170.9-91.8161.4000111.2F210 Y496 H497 K503 A504F210-L500 HydrophobicContact CE1-CD2 4.44Å; F210-L500 HydrophobicContact CE1-CG 4.17Å; F210-L500 HydrophobicContact CE2-CD2 3.52Å; F210-L500 HydrophobicContact CE2-CG 4.03Å; F210-L500 HydrophobicContact CZ-CB 4.31Å; F210-L500 HydrophobicContact CZ-CD2 3.25Å; F210-L500 HydrophobicContact CZ-CG 3.38Å; Y496-L500 HydrophobicContact CD1-CD1 3.66Å; Y496-L500 HydrophobicContact CE1-CD1 3.3Å; Y496-L500 HydrophobicContact CE1-CG 4.21Å; Y496-L500 HydrophobicContact CG-CD1 4.48Å; Y496-L500 PolarHBondContact O-N 3.05Å; H497-L500 WeakPolarHBondContact O-CB 3.45Å; H497-L500 PolarHBondContact O-N 2.8Å; L500-K503 PolarHBondContact O-N 2.93Å; L500-A504 PolarHBondContact O-N 3.41Å; L500-A504 VanDerWaalsContact O-N 3.12Å
501R85.1Confident84.7Confident128 Ų12838.3 Ų38.348%0.48319%0.185SC..Hα-helixtrans-64-46.2179-178.4170.4173.2152.1-4.5111.6H497 S498 L499 K503 A504 L505 E621H497-R501 PolarHBondContact O-N 3.34Å; S498-R501 PolarHBondContact O-N 3.03Å; L499-R501 VanDerWaalsContact C-N 3.34Å; L499-R501 PolarHBondContact O-N 2.89Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.06Å; R501-A504 WeakPolarHBondContact O-CB 3.4Å; R501-A504 PolarHBondContact O-N 3.02Å; R501-L505 HydrophobicContact CG-CD1 4.25Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.98Å; R501-E621 IonicContact CZ-OE1 3.92Å; R501-E621 VanDerWaalsContact CZ-OE1 3.23Å; R501-E621 IonicContact CZ-OE2 2.77Å; R501-E621 IonicContact NE-OE1 3.76Å; R501-E621 PolarHBondContact NE-OE1 3.17Å; R501-E621 VanDerWaalsContact NH2-CD 3.27Å; R501-E621 IonicContact NH2-OE1 2.64Å; R501-E621 PolarHBondContact NH2-OE1 2.95Å; R501-E621 IonicContact NH2-OE2 3.88Å; R501-E621 PolarHBondContact NH2-OE2 3.01Å; R501-E621 VanDerWaalsContact NH2-OE2 3.17Å
502L84.4Confident84.5Confident24 Ų2446.9 Ų46.913%0.12622%0.217CC..Hα-helixtrans-59.5-42.5177.5-179.559.7000111.6L226 L229 S498 L499 A504 L505 I506 I622 L624L226-L502 HydrophobicContact CD2-CD1 3.98Å; L226-L502 HydrophobicContact CD2-CD2 4.07Å; L226-L502 HydrophobicContact CD2-CG 4.31Å; L229-L502 HydrophobicContact CD1-CD1 4.04Å; S498-L502 VanDerWaalsContact O-CB 3.28Å; S498-L502 WeakPolarHBondContact O-CB 3.19Å; S498-L502 PolarHBondContact O-N 3.35Å; L499-L502 PolarHBondContact O-N 3.22Å; L502-A504 VanDerWaalsContact C-N 3.35Å; L502-A504 PolarHBondContact O-N 2.91Å; L502-L505 PolarHBondContact O-N 2.86Å; L502-I506 HydrophobicContact CD1-CD1 4.19Å; L502-I506 HydrophobicContact CD1-CG1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.93Å; L502-I506 HydrophobicContact CG-CG1 4.43Å; L502-I506 WeakPolarHBondContact O-CB 3.38Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.38Å; L502-I506 PolarHBondContact O-N 2.96Å; L502-I622 HydrophobicContact CD2-CB 4.5Å; L502-I622 HydrophobicContact CD2-CD1 3.81Å; L502-I622 HydrophobicContact CD2-CG2 4.43Å; L502-L624 HydrophobicContact CD1-CD1 4.17Å; L502-L624 HydrophobicContact CD1-CD2 4.5Å
503K83.4Confident84.3Confident30 Ų3047.8 Ų47.813%0.1322%0.223CC..Hα-helixtrans-59.4-44.1175.6178.9-179.4170.4-170.50111.8F210 D214 L499 L500 R501 I506 R507F210-K503 HydrophobicContact CZ-CD 4.28Å; F210-K503 PolarHBondContact O-NZ 3.26Å; D214-K503 IonicContact OD2-NZ 3.83Å; D214-K503 PolarHBondContact OD2-NZ 3.29Å; L499-K503 VanDerWaalsContact O-CB 3.3Å; L499-K503 WeakPolarHBondContact O-CB 3.43Å; L499-K503 PolarHBondContact O-N 3.34Å; L500-K503 PolarHBondContact O-N 2.93Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.06Å; K503-I506 PolarHBondContact O-N 3.3Å; K503-R507 PolarHBondContact O-N 2.03Å; K503-R507 VanDerWaalsContact O-N 3.09Å
504A85.7Confident84.1Confident41 Ų4153.9 Ų53.934%0.33926%0.256SS..Hα-helixtrans-62.6-46176.400000111.8L500 R501 L502 I506 R507 E508L500-A504 PolarHBondContact O-N 3.41Å; L500-A504 VanDerWaalsContact O-N 3.12Å; R501-A504 WeakPolarHBondContact O-CB 3.4Å; R501-A504 PolarHBondContact O-N 3.02Å; L502-A504 VanDerWaalsContact C-N 3.35Å; L502-A504 PolarHBondContact O-N 2.91Å; A504-I506 PolarHBondContact O-N 3.48Å; A504-R507 PolarHBondContact O-N 3.28Å; A504-E508 PolarHBondContact O-N 2.9Å
505L86.7Confident84.2Confident52 Ų5258.1 Ų58.127%0.27227%0.27SS..Hα-helixtrans-61.9-41.9177.3-68.8173.8000112.2L229 R501 L502 R507 E508 A509L229-L505 HydrophobicContact CD1-CB 3.76Å; L229-L505 HydrophobicContact CD2-CB 4.06Å; R501-L505 HydrophobicContact CG-CD1 4.25Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.98Å; L502-L505 PolarHBondContact O-N 2.86Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.46Å; L505-E508 PolarHBondContact O-N 3.42Å; L505-A509 WeakPolarHBondContact O-CB 3.43Å; L505-A509 PolarHBondContact O-N 3.5Å
506I86.3Confident84.4Confident10 Ų1058.9 Ų58.95%0.05127%0.274CS..Hα-helixtrans-59.8-47.1177.7-77.1171.2000109.6I222 L226 L229 L502 K503 A504 A509 L510I222-I506 HydrophobicContact CG2-CD1 4.01Å; L226-I506 HydrophobicContact CD2-CD1 3.66Å; L226-I506 HydrophobicContact CD2-CG1 4.27Å; L226-I506 HydrophobicContact CG-CD1 3.79Å; L226-I506 HydrophobicContact CG-CG1 4.44Å; L229-I506 HydrophobicContact CD1-CB 4.37Å; L229-I506 HydrophobicContact CD1-CG1 3.59Å; L502-I506 HydrophobicContact CD1-CD1 4.19Å; L502-I506 HydrophobicContact CD1-CG1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.93Å; L502-I506 HydrophobicContact CG-CG1 4.43Å; L502-I506 WeakPolarHBondContact O-CB 3.38Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.38Å; L502-I506 PolarHBondContact O-N 2.96Å; K503-I506 PolarHBondContact O-N 3.3Å; A504-I506 PolarHBondContact O-N 3.48Å; I506-A509 PolarHBondContact O-N 2.94Å; I506-L510 HydrophobicContact CG2-CD1 3.74Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CB 3.1Å; I506-L510 WeakPolarHBondContact O-CG 3.42Å; I506-L510 PolarHBondContact O-N 2.74Å
507R84.1Confident84.9Confident122 Ų12258.4 Ų58.446%0.4627%0.273SS..Hα-helixtrans-60.3-48.8179.1-179178.4174.9175.31.1111.3K503 A504 L505 A509 L510 E511K503-R507 PolarHBondContact O-N 2.03Å; K503-R507 VanDerWaalsContact O-N 3.09Å; A504-R507 PolarHBondContact O-N 3.28Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.46Å; R507-A509 PolarHBondContact O-N 2.89Å; R507-L510 PolarHBondContact O-N 3.33Å; R507-E511 HydrophobicContact CG-CG 4.46Å; R507-E511 WeakPolarHBondContact CG-OE1 3.42Å; R507-E511 IonicContact CZ-OE1 2.69Å; R507-E511 IonicContact NE-OE1 2.84Å; R507-E511 PolarHBondContact NE-OE1 3.39Å; R507-E511 IonicContact NH2-OE1 3.92Å; R507-E511 WeakPolarHBondContact O-CB 3.37Å; R507-E511 WeakPolarHBondContact O-CG 3.17Å; R507-E511 PolarHBondContact O-N 2.82Å
508E86Confident85.3Confident63 Ų6359.1 Ų59.129%0.29427%0.273SS..Hα-helixtrans-60.5-44178.9-176.7179.5179.400112.1A504 L505 L510 E511 R512A504-E508 PolarHBondContact O-N 2.9Å; L505-E508 PolarHBondContact O-N 3.42Å; E508-L510 VanDerWaalsContact C-N 3.35Å; E508-L510 PolarHBondContact O-N 3.09Å; E508-E511 PolarHBondContact O-N 3.38Å; E508-R512 WeakPolarHBondContact O-CG 3.47Å; E508-R512 PolarHBondContact O-N 2.96Å; E508-R512 VanDerWaalsContact O-N 3.14Å; E508-R512 IonicContact OE1-CZ 3.43Å; E508-R512 IonicContact OE1-NE 2.64Å; E508-R512 IonicContact OE1-NH1 3.3Å; E508-R512 PolarHBondContact OE1-NH1 3.47Å; E508-R512 IonicContact OE1-NH2 2.92Å; E508-R512 PolarHBondContact OE1-NH2 3.43Å
509A86.3Confident85.5Confident21 Ų2161 Ų6117%0.17428%0.282CS..Hα-helixtrans-62.6-42.1177.300000111.9L228 L229 L505 I506 R507 R512 C513L228-A509 HydrophobicContact CB-CB 4.34Å; L229-A509 HydrophobicContact CD2-CB 3.78Å; L229-A509 HydrophobicContact CG-CB 3.97Å; L505-A509 WeakPolarHBondContact O-CB 3.43Å; L505-A509 PolarHBondContact O-N 3.5Å; I506-A509 PolarHBondContact O-N 2.94Å; R507-A509 PolarHBondContact O-N 2.89Å; A509-R512 PolarHBondContact O-N 3.33Å; A509-C513 WeakPolarHBondContact O-CB 3.21Å; A509-C513 PolarHBondContact O-N 3.04Å
510L85.5Confident85.8Confident0 Ų060.8 Ų60.80%028%0.28CS..Hα-helixtrans-65.9-42.8176.4-69.5169.2000111.5M1 I86 F87 L217 D221 A224 L228 I506 R507 E508 R512 C513M1-L510 HydrophobicContact CE-CB 3.7Å; M1-L510 HydrophobicContact CE-CD1 3.75Å; M1-L510 HydrophobicContact CE-CG 4.26Å; I86-L510 HydrophobicContact CD1-CD2 3.47Å; I86-L510 VanDerWaalsContact CD1-CD2 3.47Å; F87-L510 HydrophobicContact CE2-CB 3.93Å; F87-L510 VanDerWaalsContact CE2-O 3.31Å; F87-L510 WeakPolarHBondContact CE2-O 3.41Å; L217-L510 HydrophobicContact CD2-CD1 3.73Å; D221-L510 HydrophobicContact CB-CD1 4.33Å; D221-L510 WeakPolarHBondContact O-CD1 3.39Å; A224-L510 HydrophobicContact CB-CD2 4.37Å; L228-L510 HydrophobicContact CD1-CD2 4.15Å; I506-L510 HydrophobicContact CG2-CD1 3.74Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CB 3.1Å; I506-L510 WeakPolarHBondContact O-CG 3.42Å; I506-L510 PolarHBondContact O-N 2.74Å; R507-L510 PolarHBondContact O-N 3.33Å; E508-L510 VanDerWaalsContact C-N 3.35Å; E508-L510 PolarHBondContact O-N 3.09Å; L510-R512 PolarHBondContact O-N 3.31Å; L510-C513 WeakPolarHBondContact O-CB 3.03Å; L510-C513 PolarHBondContact O-N 3.14Å
511E84.6Confident86.1Confident101 Ų10158.5 Ų58.547%0.47227%0.268SS..Hα-helixtrans-62.6-32.6-179-77.5176.4-175.800111.8F87 R507 E508F87-E511 HydrophobicContact CE1-CG 4.01Å; F87-E511 HydrophobicContact CE2-CB 4.17Å; F87-E511 HydrophobicContact CE2-CG 3.74Å; F87-E511 HydrophobicContact CZ-CB 4.2Å; F87-E511 HydrophobicContact CZ-CG 3.28Å; R507-E511 HydrophobicContact CG-CG 4.46Å; R507-E511 WeakPolarHBondContact CG-OE1 3.42Å; R507-E511 IonicContact CZ-OE1 2.69Å; R507-E511 IonicContact NE-OE1 2.84Å; R507-E511 PolarHBondContact NE-OE1 3.39Å; R507-E511 IonicContact NH2-OE1 3.92Å; R507-E511 WeakPolarHBondContact O-CB 3.37Å; R507-E511 WeakPolarHBondContact O-CG 3.17Å; R507-E511 PolarHBondContact O-N 2.82Å; E508-E511 PolarHBondContact O-N 3.38Å
512R85.1Confident86.2Confident183 Ų18356 Ų5669%0.69127%0.267SS*.Hα-helixtrans-81.4-14.8175.4-68.6176.8177.3159.67.5113.7E508 A509 L510E508-R512 WeakPolarHBondContact O-CG 3.47Å; E508-R512 PolarHBondContact O-N 2.96Å; E508-R512 VanDerWaalsContact O-N 3.14Å; E508-R512 IonicContact OE1-CZ 3.43Å; E508-R512 IonicContact OE1-NE 2.64Å; E508-R512 IonicContact OE1-NH1 3.3Å; E508-R512 PolarHBondContact OE1-NH1 3.47Å; E508-R512 IonicContact OE1-NH2 2.92Å; E508-R512 PolarHBondContact OE1-NH2 3.43Å; A509-R512 PolarHBondContact O-N 3.33Å; L510-R512 PolarHBondContact O-N 3.31Å
513C84.3Confident86.2Confident19 Ų1961.9 Ų61.913%0.12829%0.288CS..  trans-79.8125.3-174.1-171.70000112.2L228 A509 L510L228-C513 HydrophobicContact CD1-CB 3.73Å; A509-C513 WeakPolarHBondContact O-CB 3.21Å; A509-C513 PolarHBondContact O-N 3.04Å; L510-C513 WeakPolarHBondContact O-CB 3.03Å; L510-C513 PolarHBondContact O-N 3.14Å
514N85.1Confident86Confident131 Ų13161.2 Ų61.270%0.70129%0.29SS*.  trans-106.711.9177.269-6000113.8T85T85-N514 VanDerWaalsContact CG2-C 3.5Å; T85-N514 WeakPolarHBondContact CG2-O 3.25Å
515R85.4Confident85.7Confident113 Ų11361.3 Ų61.343%0.42629%0.288SS..SBendtrans-98.9153.7-179.1-65.3-164.9-176.2-179.36.5112.5E519 L520R515-E519 IonicContact NH1-OE1 2.9Å; R515-E519 PolarHBondContact NH1-OE1 3.12Å; R515-L520 HydrophobicContact CB-CD2 4.07Å; R515-L520 HydrophobicContact CB-CG 4.23Å
516P86.5Confident85.3Confident26 Ų2664.8 Ų64.817%0.16930%0.301CS..  trans-69.4143.9173.628.8-33.5000111G84 Y518 E519 L520G84-P516 WeakPolarHBondContact O-CA 3.18Å; G84-P516 WeakPolarHBondContact O-CB 3.25Å; P516-Y518 HydrophobicContact CB-CD1 3.76Å; P516-Y518 HydrophobicContact CB-CE1 3.54Å; P516-Y518 HydrophobicContact CG-CD1 4.18Å; P516-Y518 HydrophobicContact CG-CE1 3.59Å; P516-Y518 PolarHBondContact O-N 3.25Å; P516-E519 HydrophobicContact CG-CB 3.86Å; P516-E519 WeakPolarHBondContact O-CB 3.46Å; P516-E519 PolarHBondContact O-N 2.88Å; P516-E519 VanDerWaalsContact O-N 3.16Å; P516-L520 PolarHBondContact O-N 3.36Å
517K89.9Confident84.6Confident3 Ų366.5 Ų66.51%0.01331%0.308CS..Hα-helixtrans-60.1-42.2-172.8-168.516366.9-164.20113.4D16 D17 I86 T220 D221 A224 E519 L520 L521D16-K517 IonicContact OD1-NZ 3.24Å; D16-K517 PolarHBondContact OD1-NZ 3.44Å; D16-K517 WeakPolarHBondContact OD2-CB 3.45Å; D16-K517 WeakPolarHBondContact OD2-CD 3.38Å; D16-K517 WeakPolarHBondContact OD2-CE 3.41Å; D16-K517 IonicContact OD2-NZ 3.21Å; D16-K517 PolarHBondContact OD2-NZ 2.88Å; D17-K517 WeakPolarHBondContact OD1-CE 3.47Å; D17-K517 IonicContact OD1-NZ 3.66Å; D17-K517 PolarHBondContact OD1-NZ 2.95Å; D17-K517 IonicContact OD2-NZ 3.13Å; I86-K517 HydrophobicContact CD1-CB 4.24Å; I86-K517 HydrophobicContact CD1-CD 4.15Å; I86-K517 HydrophobicContact CD1-CG 4.13Å; I86-K517 HydrophobicContact CG1-CB 3.89Å; I86-K517 HydrophobicContact CG1-CD 4.15Å; I86-K517 HydrophobicContact CG1-CG 4.23Å; T220-K517 PolarHBondContact OG1-NZ 3.48Å; D221-K517 WeakPolarHBondContact OD1-CD 3.48Å; D221-K517 IonicContact OD1-NZ 3.17Å; D221-K517 PolarHBondContact OD1-NZ 3.25Å; A224-K517 HydrophobicContact CB-CD 4.34Å; A224-K517 HydrophobicContact CB-CG 4.07Å; K517-E519 PolarHBondContact O-N 2.74Å; K517-L520 WeakPolarHBondContact O-CB 3.23Å; K517-L520 PolarHBondContact O-N 2.94Å; K517-L521 HydrophobicContact CG-CD1 3.94Å; K517-L521 HydrophobicContact CG-CG 4.21Å; K517-L521 VanDerWaalsContact O-CG 3.31Å; K517-L521 WeakPolarHBondContact O-CG 3.4Å; K517-L521 PolarHBondContact O-N 2.8Å
518Y90.4Very high83.8Confident85 Ų8564.9 Ų64.933%0.33330%0.302SS..Hα-helixtrans-60.3-35.8-179.780.9-86.9000112V19 S82 P516 L521 V522V19-Y518 HydrophobicContact CG1-CG 4.27Å; S82-Y518 WeakPolarHBondContact O-CE1 3.35Å; P516-Y518 HydrophobicContact CB-CD1 3.76Å; P516-Y518 HydrophobicContact CB-CE1 3.54Å; P516-Y518 HydrophobicContact CG-CD1 4.18Å; P516-Y518 HydrophobicContact CG-CE1 3.59Å; P516-Y518 PolarHBondContact O-N 3.25Å; Y518-L521 PolarHBondContact O-N 2.82Å; Y518-V522 WeakPolarHBondContact O-CB 3.14Å; Y518-V522 VanDerWaalsContact O-CG2 3.32Å; Y518-V522 WeakPolarHBondContact O-CG2 3.45Å; Y518-V522 PolarHBondContact O-N 3.28Å
519E89.6Confident83Confident44 Ų4467.8 Ų67.821%0.20632%0.319CS..Hα-helixtrans-67.9-42.8179.2-171.9-162.2141.400110.5R515 P516 K517 L521 V522 R523R515-E519 IonicContact NH1-OE1 2.9Å; R515-E519 PolarHBondContact NH1-OE1 3.12Å; P516-E519 HydrophobicContact CG-CB 3.86Å; P516-E519 WeakPolarHBondContact O-CB 3.46Å; P516-E519 PolarHBondContact O-N 2.88Å; P516-E519 VanDerWaalsContact O-N 3.16Å; K517-E519 PolarHBondContact O-N 2.74Å; E519-L521 VanDerWaalsContact C-N 3.34Å; E519-V522 PolarHBondContact O-N 3.32Å; E519-R523 HydrophobicContact CG-CG 4.41Å; E519-R523 VanDerWaalsContact O-CB 3.25Å; E519-R523 WeakPolarHBondContact O-CB 3.08Å; E519-R523 WeakPolarHBondContact O-CG 3.22Å; E519-R523 PolarHBondContact O-N 3.25Å; E519-R523 IonicContact OE1-CZ 3.97Å; E519-R523 IonicContact OE1-NE 2.9Å; E519-R523 IonicContact OE1-NH1 3.94Å; E519-R523 PolarHBondContact OE1-NH1 3.4Å
520L86.4Confident82.3Confident16 Ų1673.5 Ų73.58%0.08434%0.34CS..Hα-helixtrans-60.6-44.9174.8-62.1169.3000111.3I86 A224 L228 R515 P516 K517 G524I86-L520 HydrophobicContact CD1-CD1 4.09Å; A224-L520 HydrophobicContact CB-CD1 4.49Å; L228-L520 HydrophobicContact CD1-CD1 4.16Å; L228-L520 HydrophobicContact CD2-CD2 3.61Å; L228-L520 HydrophobicContact CG-CD1 4.4Å; L228-L520 HydrophobicContact CG-CD2 4.19Å; R515-L520 HydrophobicContact CB-CD2 4.07Å; R515-L520 HydrophobicContact CB-CG 4.23Å; P516-L520 PolarHBondContact O-N 3.36Å; K517-L520 WeakPolarHBondContact O-CB 3.23Å; K517-L520 PolarHBondContact O-N 2.94Å; L520-G524 WeakPolarHBondContact O-CA 3.49Å; L520-G524 PolarHBondContact O-N 2.94Å
521L87.6Confident81.2Confident16 Ų1675.1 Ų75.18%0.08435%0.35CS..Hα-helixtrans-66-45.5-179.8-67.6178.1000111.3F20 F223 A224 L227 K517 Y518 E519 C525F20-L521 HydrophobicContact CE2-CB 3.96Å; F20-L521 HydrophobicContact CE2-CD1 3.7Å; F20-L521 HydrophobicContact CE2-CG 4.47Å; F20-L521 HydrophobicContact CZ-CB 4.03Å; F223-L521 HydrophobicContact CD1-CD2 3.42Å; F223-L521 VanDerWaalsContact CD1-CD2 3.42Å; F223-L521 HydrophobicContact CE1-CD2 3.85Å; F223-L521 HydrophobicContact CG-CD2 4.41Å; A224-L521 HydrophobicContact CB-CD2 4.23Å; L227-L521 HydrophobicContact CD1-CD2 3.86Å; K517-L521 HydrophobicContact CG-CD1 3.94Å; K517-L521 HydrophobicContact CG-CG 4.21Å; K517-L521 VanDerWaalsContact O-CG 3.31Å; K517-L521 WeakPolarHBondContact O-CG 3.4Å; K517-L521 PolarHBondContact O-N 2.8Å; Y518-L521 PolarHBondContact O-N 2.82Å; E519-L521 VanDerWaalsContact C-N 3.34Å; L521-C525 WeakPolarHBondContact O-CB 3.25Å; L521-C525 PolarHBondContact O-N 3.35Å; L521-C525 PolarHBondContact O-SG 2.98Å
522V87.4Confident79.8Confident76 Ų7673.9 Ų73.946%0.46135%0.353SS..Hα-helixtrans-65.6-52.6177.4172.90000110.9F20 Y518 E519 F526F20-V522 HydrophobicContact CE1-CG2 3.73Å; F20-V522 HydrophobicContact CZ-CG2 3.77Å; Y518-V522 WeakPolarHBondContact O-CB 3.14Å; Y518-V522 VanDerWaalsContact O-CG2 3.32Å; Y518-V522 WeakPolarHBondContact O-CG2 3.45Å; Y518-V522 PolarHBondContact O-N 3.28Å; E519-V522 PolarHBondContact O-N 3.32Å; V522-F526 WeakPolarHBondContact O-CB 3.48Å; V522-F526 PolarHBondContact O-N 2.87Å
523R83.5Confident78.2Confident147 Ų14768.6 Ų68.656%0.55533%0.333SS*.Hα-helixtrans-63.9-46-177.9-76.8-175.1154.8170.8-13.7111.6E519 F526 H527E519-R523 HydrophobicContact CG-CG 4.41Å; E519-R523 VanDerWaalsContact O-CB 3.25Å; E519-R523 WeakPolarHBondContact O-CB 3.08Å; E519-R523 WeakPolarHBondContact O-CG 3.22Å; E519-R523 PolarHBondContact O-N 3.25Å; E519-R523 IonicContact OE1-CZ 3.97Å; E519-R523 IonicContact OE1-NE 2.9Å; E519-R523 IonicContact OE1-NH1 3.94Å; E519-R523 PolarHBondContact OE1-NH1 3.4Å; R523-F526 PolarHBondContact O-N 3.3Å; R523-H527 VanDerWaalsContact O-CB 3.23Å; R523-H527 WeakPolarHBondContact O-CB 3.25Å; R523-H527 PolarHBondContact O-N 2.97Å
524G79Confident76.6Confident17 Ų1769.5 Ų69.518%0.17534%0.336CS..Hα-helixtrans-63.5-50.3179.800000111.8L520 F526 H527 W528L520-G524 WeakPolarHBondContact O-CA 3.49Å; L520-G524 PolarHBondContact O-N 2.94Å; G524-F526 VanDerWaalsContact C-N 3.34Å; G524-F526 PolarHBondContact O-N 3.49Å; G524-H527 PolarHBondContact O-N 2.7Å; G524-W528 VanDerWaalsContact O-CB 3.3Å; G524-W528 WeakPolarHBondContact O-CB 3.37Å; G524-W528 PolarHBondContact O-N 3.41Å
525C79.5Confident74.8Confident43 Ų4368.9 Ų68.929%0.29133%0.329SS..Hα-helixtrans-62-41.7176.2-70.60000111.8L521 W528 L529L521-C525 WeakPolarHBondContact O-CB 3.25Å; L521-C525 PolarHBondContact O-N 3.35Å; L521-C525 PolarHBondContact O-SG 2.98Å; C525-W528 PolarHBondContact O-N 3.3Å; C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.4Å; C525-L529 WeakPolarHBondContact O-CD1 3.28Å; C525-L529 WeakPolarHBondContact O-CG 3.11Å; C525-L529 PolarHBondContact O-N 2.8Å
526F79.3Confident73.1Confident125 Ų12565 Ų6555%0.54832%0.315SS..Hα-helixtrans-63.1-49.2177.8-174.2-88.7000111.3V522 R523 G524 W528 L529 F530V522-F526 WeakPolarHBondContact O-CB 3.48Å; V522-F526 PolarHBondContact O-N 2.87Å; R523-F526 PolarHBondContact O-N 3.3Å; G524-F526 VanDerWaalsContact C-N 3.34Å; G524-F526 PolarHBondContact O-N 3.49Å; F526-W528 VanDerWaalsContact C-N 3.29Å; F526-W528 PolarHBondContact O-N 3.3Å; F526-L529 PolarHBondContact O-N 2.86Å; F526-F530 HydrophobicContact CB-CD2 4.39Å; F526-F530 HydrophobicContact CD1-CD2 4.29Å; F526-F530 AromaticContact CD2-CD2 3.33Å; F526-F530 HydrophobicContact CD2-CD2 3.33Å; F526-F530 AromaticContact CD2-CE2 3.59Å; F526-F530 HydrophobicContact CD2-CE2 3.59Å; F526-F530 HydrophobicContact CD2-CG 4.38Å; F526-F530 HydrophobicContact CE1-CB 4.37Å; F526-F530 HydrophobicContact CE1-CD2 4.4Å; F526-F530 AromaticContact CE2-CD2 3.47Å; F526-F530 HydrophobicContact CE2-CD2 3.47Å; F526-F530 VanDerWaalsContact CE2-CD2 3.47Å; F526-F530 AromaticContact CE2-CE2 3.82Å; F526-F530 HydrophobicContact CE2-CE2 3.82Å; F526-F530 HydrophobicContact CE2-CG 4.16Å; F526-F530 AromaticContact CG-CD2 3.77Å; F526-F530 HydrophobicContact CG-CD2 3.77Å; F526-F530 HydrophobicContact CG-CE2 4.36Å; F526-F530 HydrophobicContact CZ-CB 4.35Å; F526-F530 HydrophobicContact CZ-CD2 4.03Å; F526-F530 HydrophobicContact CZ-CG 4.34Å; F526-F530 WeakPolarHBondContact O-CB 3.48Å; F526-F530 VanDerWaalsContact O-CD2 3.27Å; F526-F530 WeakPolarHBondContact O-CD2 3.42Å; F526-F530 PolarHBondContact O-N 3.33Å
527H71.3Confident71.2Confident45 Ų4567.3 Ų67.321%0.20832%0.321CS..Hα-helixtrans-59.7-42.2178-174.795.6000111.2R523 G524 T531 R536R523-H527 VanDerWaalsContact O-CB 3.23Å; R523-H527 WeakPolarHBondContact O-CB 3.25Å; R523-H527 PolarHBondContact O-N 2.97Å; G524-H527 PolarHBondContact O-N 2.7Å; H527-T531 WeakPolarHBondContact CA-OG1 3.41Å; H527-T531 PolarHBondContact ND1-OG1 3.29Å; H527-T531 WeakPolarHBondContact O-CA 3.22Å; H527-T531 WeakPolarHBondContact O-CB 3.18Å; H527-T531 PolarHBondContact O-N 3.33Å; H527-T531 PolarHBondContact O-OG1 2.9Å; H527-T531 VanDerWaalsContact O-OG1 3.12Å; H527-R536 WeakPolarHBondContact NE2-CD 3.39Å; H527-R536 PolarHBondContact NE2-NE 3.26Å
528W67.2Low69Low88 Ų8870.9 Ų70.933%0.33334%0.34SS..Hα-helixtrans-73.2-34.1-178.2-144.885.7000113.4G524 C525 F526 S625 S626G524-W528 VanDerWaalsContact O-CB 3.3Å; G524-W528 WeakPolarHBondContact O-CB 3.37Å; G524-W528 PolarHBondContact O-N 3.41Å; C525-W528 PolarHBondContact O-N 3.3Å; F526-W528 VanDerWaalsContact C-N 3.29Å; F526-W528 PolarHBondContact O-N 3.3Å; W528-S625 WeakPolarHBondContact CZ2-O 3.38Å; W528-S626 VanDerWaalsContact CE2-CA 3.42Å
529L70.3Confident67Low124 Ų12471.7 Ų71.765%0.64935%0.347SS*.Hα-helixtrans-80.2-34.5179.1-72.5169.3000113.2C525 F526C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.4Å; C525-L529 WeakPolarHBondContact O-CD1 3.28Å; C525-L529 WeakPolarHBondContact O-CG 3.11Å; C525-L529 PolarHBondContact O-N 2.8Å; F526-L529 PolarHBondContact O-N 2.86Å
530F70.8Confident65.1Low141 Ų14170.9 Ų70.962%0.61834%0.343SS*.Hα-helixtrans-115.2-22.1-168.8-59.1-72.3000114.3F526 S532F526-F530 HydrophobicContact CB-CD2 4.39Å; F526-F530 HydrophobicContact CD1-CD2 4.29Å; F526-F530 AromaticContact CD2-CD2 3.33Å; F526-F530 HydrophobicContact CD2-CD2 3.33Å; F526-F530 AromaticContact CD2-CE2 3.59Å; F526-F530 HydrophobicContact CD2-CE2 3.59Å; F526-F530 HydrophobicContact CD2-CG 4.38Å; F526-F530 HydrophobicContact CE1-CB 4.37Å; F526-F530 HydrophobicContact CE1-CD2 4.4Å; F526-F530 AromaticContact CE2-CD2 3.47Å; F526-F530 HydrophobicContact CE2-CD2 3.47Å; F526-F530 VanDerWaalsContact CE2-CD2 3.47Å; F526-F530 AromaticContact CE2-CE2 3.82Å; F526-F530 HydrophobicContact CE2-CE2 3.82Å; F526-F530 HydrophobicContact CE2-CG 4.16Å; F526-F530 AromaticContact CG-CD2 3.77Å; F526-F530 HydrophobicContact CG-CD2 3.77Å; F526-F530 HydrophobicContact CG-CE2 4.36Å; F526-F530 HydrophobicContact CZ-CB 4.35Å; F526-F530 HydrophobicContact CZ-CD2 4.03Å; F526-F530 HydrophobicContact CZ-CG 4.34Å; F526-F530 WeakPolarHBondContact O-CB 3.48Å; F526-F530 VanDerWaalsContact O-CD2 3.27Å; F526-F530 WeakPolarHBondContact O-CD2 3.42Å; F526-F530 PolarHBondContact O-N 3.33Å; F530-S532 PolarHBondContact O-N 3.36Å
531T61.8Low63.3Low34 Ų3473.7 Ų73.721%0.20936%0.357CS..SBendtrans-85.4104.9179.1-47.90000110.5H527 H535 R536H527-T531 WeakPolarHBondContact CA-OG1 3.41Å; H527-T531 PolarHBondContact ND1-OG1 3.29Å; H527-T531 WeakPolarHBondContact O-CA 3.22Å; H527-T531 WeakPolarHBondContact O-CB 3.18Å; H527-T531 PolarHBondContact O-N 3.33Å; H527-T531 PolarHBondContact O-OG1 2.9Å; H527-T531 VanDerWaalsContact O-OG1 3.12Å; T531-H535 HydrophobicContact CG2-CB 4.17Å; T531-R536 HydrophobicContact CG2-CG 4.45Å; T531-R536 PolarHBondContact O-NH2 2.9Å
532S55Low61.4Low76 Ų7677.8 Ų77.853%0.53138%0.379SS..  trans-54.8140.9172.5178.50000111.1F530 N534 H535F530-S532 PolarHBondContact O-N 3.36Å; S532-N534 PolarHBondContact O-N 3.14Å; S532-H535 PolarHBondContact O-N 3.48Å
533R52.3Low59.4Low71 Ų7178.3 Ų78.327%0.26838%0.38SS..Hα-helixtrans-52.4-30.2179.9-161.3176.4121152.95.5112.9Y537R533-Y537 PolarHBondContact O-N 2.97Å
534N49.5Very low57.5Low38 Ų3875.4 Ų75.420%0.20337%0.372CS..Hα-helixtrans-68.1-35.5179.5-71.24.3000113S532 R536 Y537 N538 P604S532-N534 PolarHBondContact O-N 3.14Å; N534-R536 VanDerWaalsContact C-N 3.35Å; N534-Y537 PolarHBondContact O-N 3.44Å; N534-N538 PolarHBondContact O-N 2.82Å; N534-P604 WeakPolarHBondContact OD1-CB 3.37Å
535H48Very low55.7Low119 Ų11980.7 Ų80.755%0.55139%0.393SS*.Hα-helixtrans-71.4-36.5-177.9-144.5-21.5000111.2T531 S532 E539T531-H535 HydrophobicContact CG2-CB 4.17Å; S532-H535 PolarHBondContact O-N 3.48Å; H535-E539 PolarHBondContact O-N 2.9Å; H535-E539 VanDerWaalsContact O-N 3.07Å
536R49.8Very low54Low32 Ų3281 Ų8112%0.12140%0.396CS..Hα-helixtrans-62.3-41.8173.1-97-178.1-80.3-178.5-0.5112.8H527 T531 N534 I540 S626H527-R536 WeakPolarHBondContact NE2-CD 3.39Å; H527-R536 PolarHBondContact NE2-NE 3.26Å; T531-R536 HydrophobicContact CG2-CG 4.45Å; T531-R536 PolarHBondContact O-NH2 2.9Å; N534-R536 VanDerWaalsContact C-N 3.35Å; R536-I540 VanDerWaalsContact O-CD1 3.23Å; R536-I540 WeakPolarHBondContact O-CD1 3.33Å; R536-I540 WeakPolarHBondContact O-CG1 3.4Å; R536-I540 PolarHBondContact O-N 2.69Å; R536-S626 PolarHBondContact NH2-OG 3.37Å
537Y46.3Very low52.2Low74 Ų7478 Ų7829%0.2939%0.387SS..Hα-helixtrans-67.8-41.8-179.4-124-92.8000111.8L240 R533 N534 I540 I541L240-Y537 HydrophobicContact CD2-CE1 3.75Å; L240-Y537 WeakPolarHBondContact CD2-OH 3.41Å; R533-Y537 PolarHBondContact O-N 2.97Å; N534-Y537 PolarHBondContact O-N 3.44Å; Y537-I540 PolarHBondContact O-N 2.83Å; Y537-I541 HydrophobicContact CD1-CD1 4.1Å; Y537-I541 WeakPolarHBondContact O-CG1 3.4Å; Y537-I541 PolarHBondContact O-N 2.84Å
538N44.2Very low50.6Low78 Ų7879.7 Ų79.742%0.41740%0.404SS..Hα-helixtrans-69.5-41.2179.7-71.33.9000112.3N534 I540 I541 D542N534-N538 PolarHBondContact O-N 2.82Å; N538-I540 VanDerWaalsContact C-N 3.25Å; N538-I540 PolarHBondContact O-N 2.87Å; N538-I541 PolarHBondContact O-N 2.57Å; N538-D542 WeakPolarHBondContact O-CB 3.21Å; N538-D542 VanDerWaalsContact O-CG 3.26Å; N538-D542 PolarHBondContact O-N 3.05Å
539E48.7Very low49.2Very low102 Ų10282.5 Ų82.548%0.47742%0.42SS..Hα-helixtrans-58.6-37175.3-80.2179.7160.800112.3H535 D543H535-E539 PolarHBondContact O-N 2.9Å; H535-E539 VanDerWaalsContact O-N 3.07Å; E539-D543 WeakPolarHBondContact O-CB 3.25Å; E539-D543 PolarHBondContact O-N 2.81Å; E539-D543 VanDerWaalsContact O-N 3.11Å
540I48.5Very low47.7Very low26 Ų2680 Ų8013%0.13341%0.413CS..Hα-helixtrans-71.1-39178.8-63.4162000111.6Q236 L240 R536 Y537 N538 E544Q236-I540 HydrophobicContact CB-CD1 3.97Å; Q236-I540 HydrophobicContact CG-CD1 4.24Å; L240-I540 HydrophobicContact CD1-CG2 4.35Å; R536-I540 VanDerWaalsContact O-CD1 3.23Å; R536-I540 WeakPolarHBondContact O-CD1 3.33Å; R536-I540 WeakPolarHBondContact O-CG1 3.4Å; R536-I540 PolarHBondContact O-N 2.69Å; Y537-I540 PolarHBondContact O-N 2.83Å; N538-I540 VanDerWaalsContact C-N 3.25Å; N538-I540 PolarHBondContact O-N 2.87Å; I540-E544 PolarHBondContact O-N 3.3Å
541I50.1Low46.1Very low75 Ų7579 Ų7939%0.38541%0.41SS..Hα-helixtrans-69.4-43.6179.1-66.3169.3000110.4Y537 N538 D543 E544 E545Y537-I541 HydrophobicContact CD1-CD1 4.1Å; Y537-I541 WeakPolarHBondContact O-CG1 3.4Å; Y537-I541 PolarHBondContact O-N 2.84Å; N538-I541 PolarHBondContact O-N 2.57Å; I541-D543 VanDerWaalsContact C-N 3.28Å; I541-D543 PolarHBondContact O-N 3.17Å; I541-E544 PolarHBondContact O-N 3.21Å; I541-E544 VanDerWaalsContact O-N 3.1Å; I541-E545 PolarHBondContact O-N 2.99Å
542D46.3Very low44.9Very low102 Ų10284.8 Ų84.855%0.54544%0.435SS..Hα-helixtrans-63.2-35.4177.2-65.9-21.9000111.4N538 S546N538-D542 WeakPolarHBondContact O-CB 3.21Å; N538-D542 VanDerWaalsContact O-CG 3.26Å; N538-D542 PolarHBondContact O-N 3.05Å; D542-S546 WeakPolarHBondContact O-CB 3.39Å; D542-S546 PolarHBondContact O-N 2.9Å; D542-S546 PolarHBondContact O-OG 3.19Å
543D46.3Very low44Very low88 Ų8885.9 Ų85.947%0.47144%0.443SS..Hα-helixtrans-70.8-33.6172.5-88-7.3000112.8E539 I541 S546 T547E539-D543 WeakPolarHBondContact O-CB 3.25Å; E539-D543 PolarHBondContact O-N 2.81Å; E539-D543 VanDerWaalsContact O-N 3.11Å; I541-D543 VanDerWaalsContact C-N 3.28Å; I541-D543 PolarHBondContact O-N 3.17Å; D543-S546 WeakPolarHBondContact CA-OG 3.23Å; D543-S546 PolarHBondContact O-OG 3.02Å; D543-S546 VanDerWaalsContact O-OG 3.06Å; D543-T547 WeakPolarHBondContact O-CB 3.44Å; D543-T547 PolarHBondContact O-N 3.45Å; D543-T547 PolarHBondContact O-OG1 3.48Å
544E43.5Very low43.1Very low85 Ų8586.1 Ų86.140%0.39746%0.455SS..Hα-helixtrans-69.2-41.7175.6-89.5-169.8158.900112.6I540 I541 T547 C548I540-E544 PolarHBondContact O-N 3.3Å; I541-E544 PolarHBondContact O-N 3.21Å; I541-E544 VanDerWaalsContact O-N 3.1Å; E544-T547 PolarHBondContact O-N 3.43Å; E544-C548 WeakPolarHBondContact O-CB 3.41Å; E544-C548 PolarHBondContact O-N 3.05Å; E544-C548 PolarHBondContact O-SG 3.48Å
545E42Very low42.3Very low128 Ų12894.5 Ų94.560%0.59848%0.484SS*.Hα-helixtrans-62.5-46.2174.6-83.9-174.3160.800111.1I541 T547 C548 E549I541-E545 PolarHBondContact O-N 2.99Å; E545-T547 PolarHBondContact O-N 3.08Å; E545-C548 PolarHBondContact O-N 3.49Å; E545-E549 WeakPolarHBondContact O-CG 3.47Å; E545-E549 PolarHBondContact O-N 3.44Å
546S42.4Very low41.8Very low51 Ų5197.7 Ų97.736%0.35750%0.499SS..Hα-helixtrans-67.6-32.8178.760.20000113.5D542 D543 S550D542-S546 WeakPolarHBondContact O-CB 3.39Å; D542-S546 PolarHBondContact O-N 2.9Å; D542-S546 PolarHBondContact O-OG 3.19Å; D543-S546 WeakPolarHBondContact CA-OG 3.23Å; D543-S546 PolarHBondContact O-OG 3.02Å; D543-S546 VanDerWaalsContact O-OG 3.06Å; S546-S550 WeakPolarHBondContact O-CB 3.43Å; S546-S550 PolarHBondContact O-N 2.97Å; S546-S550 VanDerWaalsContact O-N 3.13Å; S546-S550 PolarHBondContact O-OG 2.85Å
547T42.9Very low40.7Very low61 Ų61105.3 Ų105.337%0.37453%0.533SS..Hα-helixtrans-73.9-33.3175.9-45.90000111.9D543 E544 E545 Q551D543-T547 WeakPolarHBondContact O-CB 3.44Å; D543-T547 PolarHBondContact O-N 3.45Å; D543-T547 PolarHBondContact O-OG1 3.48Å; E544-T547 PolarHBondContact O-N 3.43Å; E545-T547 PolarHBondContact O-N 3.08Å; T547-Q551 PolarHBondContact O-N 3.13Å
548C36.4Very low39.8Very low81 Ų81105.3 Ų105.355%0.54756%0.556SS.*Hα-helixtrans-70.7-42.2174.9-710000112E544 E545 S550 Q551 E552E544-C548 WeakPolarHBondContact O-CB 3.41Å; E544-C548 PolarHBondContact O-N 3.05Å; E544-C548 PolarHBondContact O-SG 3.48Å; E545-C548 PolarHBondContact O-N 3.49Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.32Å; C548-Q551 PolarHBondContact O-N 3.34Å; C548-E552 PolarHBondContact O-N 3.2Å
549E37.4Very low39Very low146 Ų146107.7 Ų107.768%0.68258%0.579SS**Hα-helixtrans-63.8-33.3174.8-72.8-173.8157.900112.3E545 Q551 S553E545-E549 WeakPolarHBondContact O-CG 3.47Å; E545-E549 PolarHBondContact O-N 3.44Å; E549-Q551 VanDerWaalsContact C-N 3.34Å; E549-Q551 PolarHBondContact O-N 2.91Å; E549-S553 PolarHBondContact O-N 2.9Å
550S38.8Very low37.9Very low71 Ų71107.3 Ų107.350%0.49759%0.587SS.*Hα-helixtrans-68-31.2175.8-58.90000113.2S546 C548 S554S546-S550 WeakPolarHBondContact O-CB 3.43Å; S546-S550 PolarHBondContact O-N 2.97Å; S546-S550 VanDerWaalsContact O-N 3.13Å; S546-S550 PolarHBondContact O-OG 2.85Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.32Å; S550-S554 PolarHBondContact O-OG 3.3Å
551Q38.8Very low36.9Very low121 Ų121113.6 Ų113.657%0.56562%0.621SS**Hα-helixtrans-82-24.1-179.8-76.4-169.52.700113.7T547 C548 E549 S554T547-Q551 PolarHBondContact O-N 3.13Å; C548-Q551 PolarHBondContact O-N 3.34Å; E549-Q551 VanDerWaalsContact C-N 3.34Å; E549-Q551 PolarHBondContact O-N 2.91Å; Q551-S554 PolarHBondContact O-OG 3.27Å
552E36.5Very low35.8Very low156 Ų156118 Ų11873%0.72964%0.644SS**Hα-helixtrans-79-36.5175.2-82.1-173.3151.500112.9C548 S554 R555C548-E552 PolarHBondContact O-N 3.2Å; E552-S554 VanDerWaalsContact C-N 3.26Å; E552-S554 PolarHBondContact O-N 2.78Å; E552-R555 PolarHBondContact O-N 3.11Å
553S36.2Very low34.8Very low98 Ų98119.3 Ų119.369%0.68566%0.657SS**Hα-helixtrans-71.7-20.4177.985.20000113.8E549E549-S553 PolarHBondContact O-N 2.9Å
554S32.7Very low34Very low76 Ų76122.4 Ų122.453%0.53167%0.673SS.*G310 helixtrans-91-8.3-178.644.20000114.2S550 Q551 E552 Q556S550-S554 PolarHBondContact O-OG 3.3Å; Q551-S554 PolarHBondContact O-OG 3.27Å; E552-S554 VanDerWaalsContact C-N 3.26Å; E552-S554 PolarHBondContact O-N 2.78Å; S554-Q556 VanDerWaalsContact C-N 3.35Å; S554-Q556 PolarHBondContact O-N 3.28Å
555R33Very low33.3Very low215 Ų215129.4 Ų129.481%0.81170%0.696SS**G310 helixtrans-79.6-7.8176.7-86-179.7174175.60.8115.3E552E552-R555 PolarHBondContact O-N 3.11Å
556Q37Very low32.6Very low185 Ų185131.5 Ų131.586%0.86471%0.71SS**G310 helixtrans-106-0.9-176.3-100.5-178.4-1000116.2S554S554-Q556 VanDerWaalsContact C-N 3.35Å; S554-Q556 PolarHBondContact O-N 3.28Å
557K27.3Very low31.9Very low192 Ų192135.5 Ų135.584%0.83573%0.733SS**SBendtrans-139.1114.4177.1-76.2-178.6179.6173.10112.6
558G27.3Very low31.1Very low75 Ų75136.6 Ų136.677%0.77375%0.748SS**  trans103.291.3151.800000115.9S560G558-S560 PolarHBondContact O-N 3.23Å
559S26.9Very low30.8Very low128 Ų128142.1 Ų142.190%0.89576%0.763SS**  trans-59.4104.3151.11760000109.4
560S26.4Very low30.3Very low94 Ų94139.8 Ų139.866%0.65776%0.763SS**SBendtrans168.7116.6146.857.20000111.3G558G558-S560 PolarHBondContact O-N 3.23Å
561N26.2Very low29.6Very low158 Ų158145.9 Ų145.985%0.84578%0.78SS**SBendtrans53.163.2145.8-58.2-13.9000119.3
562L27.6Very low29Very low166 Ų166144.9 Ų144.987%0.86978%0.784SS**  trans-163.837.2153.6-146.672.3000115.5
563T26Very low28.4Very low131 Ų131143 Ų14380%0.80479%0.788SS**SBendtrans-132.722.7-179.1410000115.2
564D29.3Very low28Very low153 Ų153147 Ų14782%0.81879%0.789SS**SBendtrans-10918.3175.8-89.2-18.8000114.4
565R27.5Very low27.7Very low232 Ų232147.3 Ų147.388%0.87579%0.792SS**SBendtrans-121.24.4-175.6-79-170173-175.5-0.9117.5
566L27.9Very low27.5Very low171 Ų171140.1 Ų140.190%0.89578%0.778SS**SBendtrans-127.50.1-177.3-71.4171.2000116.5
567T27.3Very low27Very low136 Ų136135.1 Ų135.183%0.83476%0.763SS**SBendtrans-126.68.5177.147.60000114.8
568A27.4Very low27.1Very low84 Ų84132.9 Ų132.969%0.69476%0.761SS**  trans-122.962.4172.700000111.1
569K29.3Very low27.3Very low196 Ų196133.2 Ų133.285%0.85276%0.756SS**  trans-106.687.1156.3-81-174.1178.7178.40107.7
570S27Very low27.6Very low98 Ų98130.2 Ų130.269%0.68573%0.732SS**  trans-0.9120.8151.452.50000114.4P572S570-P572 WeakPolarHBondContact O-CD 3.19Å; S570-P572 VanDerWaalsContact O-N 3.08Å
571K24.9Very low28Very low198 Ų198130.2 Ų130.286%0.86173%0.732SS**  trans-39.5119.9147-80.5178.9174.7178.30106.8S573K571-S573 PolarHBondContact O-N 3.06Å
572P24.6Very low28.2Very low101 Ų101131.2 Ų131.266%0.65674%0.738SS**  trans-64.5110.917624.8-28.6000106.2S570 Y574S570-P572 WeakPolarHBondContact O-CD 3.19Å; S570-P572 VanDerWaalsContact O-N 3.08Å; P572-Y574 PolarHBondContact O-N 3.45Å
573S24.5Very low28.7Very low115 Ų115126.2 Ų126.280%0.80473%0.726SS**  trans-64.389.516353.90000106.2K571 S575K571-S573 PolarHBondContact O-N 3.06Å; S573-S575 VanDerWaalsContact C-N 3.31Å; S573-S575 PolarHBondContact O-N 2.92Å
574Y27Very low29.7Very low183 Ų183122.3 Ų122.372%0.71870%0.699SS**  trans-66.598.8164.3-121.1-88.4000106.2P572 A576P572-Y574 PolarHBondContact O-N 3.45Å; Y574-A576 VanDerWaalsContact C-N 3.27Å; Y574-A576 PolarHBondContact O-N 3.48Å
575S26.4Very low30.4Very low83 Ų83121.9 Ų121.958%0.5869%0.692SS**  trans-61.7101.4152.949.10000105.7S573 S577S573-S575 VanDerWaalsContact C-N 3.31Å; S573-S575 PolarHBondContact O-N 2.92Å; S575-S577 PolarHBondContact O-N 3.41Å
576A29.7Very low31.7Very low63 Ų63116.4 Ų116.452%0.52169%0.688SS.*THydrogen-bonded Turntrans-68.735.417900000112.8Y574Y574-A576 VanDerWaalsContact C-N 3.27Å; Y574-A576 PolarHBondContact O-N 3.48Å
577S27.4Very low33.8Very low80 Ų80111.3 Ų111.356%0.55966%0.657SS**THydrogen-bonded Turntrans-111-18.4-164.256.80000115.6S575S575-S577 PolarHBondContact O-N 3.41Å
578D27.7Very low36.4Very low145 Ų145107.5 Ų107.578%0.77563%0.631SS**SBendtrans-118.48.9-159.1-6811.2000116.1
579A32.4Very low39.2Very low83 Ų83107.7 Ų107.769%0.68662%0.616SS**SBendtrans-149.28174.600000116.3
580V33.7Very low42.1Very low64 Ų6499 Ų9939%0.38858%0.578SS.*  trans-99.894.1175.4-1760000108.1N582 Q584V580-N582 PolarHBondContact O-N 2.97Å; V580-Q584 HydrophobicContact CG1-CB 3.92Å
581S33.2Very low45.2Very low94 Ų9495.1 Ų95.166%0.65755%0.551SS**  trans-59.395.5169.540.80000110.3G583S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact O-N 3.44Å
582N31.9Very low48.4Very low180 Ų18085.8 Ų85.896%0.96351%0.511SS*.SBendtrans40.84.1148.5-86.5-8000122.8V580V580-N582 PolarHBondContact O-N 2.97Å
583G38.4Very low51.7Low60 Ų6081 Ų8162%0.61948%0.48SS*.SBendtrans-134.6-16.6178.400000115.6S581S581-G583 VanDerWaalsContact C-N 3.26Å; S581-G583 PolarHBondContact O-N 3.44Å
584Q47.1Very low55Low49 Ų4975.5 Ų75.523%0.22944%0.442CS..SBendtrans-94.6-12.6-169.8-82.1163.5-2300115V580 C586V580-Q584 HydrophobicContact CG1-CB 3.92Å; Q584-C586 VanDerWaalsContact C-N 3.29Å; Q584-C586 PolarHBondContact O-N 3.14Å
585Q44Very low58.2Low145 Ų14570.9 Ų70.968%0.67842%0.423SS*.THydrogen-bonded Turntrans-81.7-2.8-177.2-133.9166.713.200114.1
586C54.2Low61.3Low117 Ų11767 Ų6779%0.79140%0.396SS*.THydrogen-bonded Turntrans-111.519.1-171.7-141.70000114.2Q584Q584-C586 VanDerWaalsContact C-N 3.29Å; Q584-C586 PolarHBondContact O-N 3.14Å
587R71.8Confident64.3Low63 Ų6364.3 Ų64.324%0.23837%0.372CS..PPolyproline II helixtrans-83135.6174.3-74.7-158.5-176.9-166.53110.8I374 Y496I374-R587 PolarHBondContact O-NH1 2.81Å; Y496-R587 HydrophobicContact CD1-CB 4.44Å
588I81.7Confident67.3Low57 Ų5761 Ų6129%0.29235%0.348SS..PPolyproline II helixtrans-72.1134.4178.2-63.8173.7000108.8E376 Y397 D470 L590E376-I588 HydrophobicContact CG-CB 4.3Å; E376-I588 PolarHBondContact OE1-N 3.27Å; Y397-I588 HydrophobicContact CD1-CD1 3.32Å; Y397-I588 HydrophobicContact CD2-CD1 3.69Å; Y397-I588 HydrophobicContact CE1-CD1 3.33Å; Y397-I588 HydrophobicContact CE2-CD1 3.71Å; Y397-I588 HydrophobicContact CG-CD1 3.48Å; Y397-I588 VanDerWaalsContact CG-CD1 3.48Å; Y397-I588 HydrophobicContact CG-CG2 4.35Å; D470-I588 HydrophobicContact CB-CG2 4.08Å; I588-L590 HydrophobicContact CG2-CD2 4.49Å; I588-L590 PolarHBondContact O-N 3.12Å
589K86.5Confident70.3Confident87 Ų8754 Ų5438%0.37831%0.311SS..PPolyproline II helixtrans-74.3117.4177.3-171.5-176.4-168.7-179.50109.7E620K589-E620 VanDerWaalsContact CE-OE1 3.24Å; K589-E620 WeakPolarHBondContact CE-OE1 3.4Å; K589-E620 WeakPolarHBondContact CE-OE2 3.43Å; K589-E620 IonicContact NZ-OE1 2.69Å; K589-E620 PolarHBondContact NZ-OE1 3.07Å; K589-E620 IonicContact NZ-OE2 2.99Å; K589-E620 PolarHBondContact NZ-OE2 2.94Å
590L89.8Confident72.7Confident13 Ų1352.1 Ų52.17%0.06829%0.29CS..EExtended strand (participates in β ladder)trans-99.5152.3171.4-55.6179.3000110.2E376 H399 C467 A469 D470 I588E376-L590 HydrophobicContact CB-CD1 4.08Å; E376-L590 HydrophobicContact CB-CD2 4.4Å; H399-L590 HydrophobicContact CB-CD1 4.08Å; C467-L590 HydrophobicContact CB-CB 4.04Å; C467-L590 VanDerWaalsContact O-CD1 3.3Å; C467-L590 WeakPolarHBondContact O-CD1 3.5Å; A469-L590 CarbonylContact O-C 3.56Å; A469-L590 WeakPolarHBondContact O-CA 3.34Å; D470-L590 HydrophobicContact CB-CD2 4.37Å; I588-L590 HydrophobicContact CG2-CD2 4.49Å; I588-L590 PolarHBondContact O-N 3.12Å
591C91.8Very high74.9Confident17 Ų1753 Ų5312%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-141.3174.8-176.567.60000112.4G466 V468 A469 S474 A616G466-C591 CarbonylContact O-C 3.47Å; G466-C591 VanDerWaalsContact O-CA 3.25Å; G466-C591 WeakPolarHBondContact O-CA 3.41Å; V468-C591 PolarHBondContact N-O 2.84Å; A469-C591 PolarHBondContact N-O 2.93Å; A469-C591 PolarHBondContact O-N 2.61Å; A469-C591 PolarHBondContact O-SG 3.05Å; S474-C591 VanDerWaalsContact CB-SG 3.58Å; C591-A616 HydrophobicContact CB-CB 3.9Å
592C92.4Very high76.6Confident2 Ų252 Ų521%0.01428%0.276CS..  trans-61.6143.2171.1-73.20000111S474 C492 I596S474-C592 PolarHBondContact OG-O 2.97Å; C492-C592 PolarHBondContact O-SG 3.47Å; C492-C592 VanDerWaalsContact O-SG 3.37Å; C592-I596 HydrophobicContact CB-CD1 3.68Å; C592-I596 HydrophobicContact CB-CG1 4.25Å
593P94.6Very high77.9Confident0 Ų046 Ų460%025%0.249CC..  trans-83.3147.4-176.332.4-32.4000112.5S444 P464 V468 S474 M477 V481 T483S444-P593 WeakPolarHBondContact OG-CG 3.31Å; P464-P593 HydrophobicContact CG-CG 4.48Å; V468-P593 HydrophobicContact CB-CB 4.4Å; V468-P593 HydrophobicContact CB-CG 4.12Å; V468-P593 HydrophobicContact CG1-CB 4.34Å; V468-P593 HydrophobicContact CG1-CG 4.19Å; V468-P593 HydrophobicContact CG2-CG 4.09Å; S474-P593 WeakPolarHBondContact OG-CA 3.24Å; M477-P593 HydrophobicContact CE-CB 3.59Å; M477-P593 HydrophobicContact SD-CB 3.95Å; V481-P593 HydrophobicContact CG1-CB 4.4Å; T483-P593 WeakPolarHBondContact CB-O 3.34Å; T483-P593 PolarHBondContact OG1-O 3.21Å
594G94.1Very high78.8Confident1 Ų145.6 Ų45.61%0.0124%0.235CC..SBendtrans74.8-157.8163.600000115.7S474S474-G594 PolarHBondContact OG-N 3.45Å
595R93.2Very high79.1Confident85 Ų8552.5 Ų52.532%0.32126%0.259SS..EExtended strand (participates in β ladder)trans-79.9123.5177-67.3-178.5-171-170.2-2.4109.3K478 V481 T483 Y597K478-R595 HydrophobicContact CB-CG 3.73Å; K478-R595 HydrophobicContact CD-CG 4.47Å; K478-R595 HydrophobicContact CG-CG 3.94Å; K478-R595 WeakPolarHBondContact O-CD 3.38Å; K478-R595 WeakPolarHBondContact O-CG 3.48Å; K478-R595 PolarHBondContact O-NE 3.43Å; V481-R595 PolarHBondContact O-N 3.3Å; T483-R595 PolarHBondContact N-O 3.03Å; R595-Y597 HydrophobicContact CB-CE2 3.99Å
596I92.5Very high80Confident3 Ų352.2 Ų52.22%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-103.8121.9-172.7-54.1164000110T483 V485 C592 N613 C614 A616 F619T483-I596 HydrophobicContact CG2-CG1 4.24Å; T483-I596 HydrophobicContact CG2-CG2 4.19Å; T483-I596 WeakPolarHBondContact O-CA 3.15Å; V485-I596 HydrophobicContact CG2-CG2 3.93Å; C592-I596 HydrophobicContact CB-CD1 3.68Å; C592-I596 HydrophobicContact CB-CG1 4.25Å; I596-N613 PolarHBondContact O-OD1 3.37Å; I596-C614 WeakPolarHBondContact CB-O 3.47Å; I596-C614 HydrophobicContact CG2-CB 4.48Å; I596-C614 PolarHBondContact O-N 2.84Å; I596-A616 HydrophobicContact CD1-CB 4.05Å; I596-F619 HydrophobicContact CB-CE2 4.37Å; I596-F619 HydrophobicContact CD1-CD2 4.29Å; I596-F619 HydrophobicContact CD1-CE2 4.39Å; I596-F619 HydrophobicContact CG2-CD2 4.25Å; I596-F619 HydrophobicContact CG2-CE2 3.42Å; I596-F619 VanDerWaalsContact CG2-CE2 3.42Å; I596-F619 HydrophobicContact CG2-CZ 3.73Å
597Y91.7Very high80.7Confident6 Ų647.5 Ų47.52%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-109.6115.5175-68.2-79.8000109.8T250 P251 M254 C482 T483 L484 V485 R595 I611 K612T250-Y597 HydrophobicContact CG2-CE1 3.81Å; P251-Y597 WeakPolarHBondContact CD-OH 3.04Å; M254-Y597 HydrophobicContact CE-CD1 4.02Å; M254-Y597 HydrophobicContact CE-CD2 3.82Å; M254-Y597 HydrophobicContact CE-CE1 3.92Å; M254-Y597 HydrophobicContact CE-CE2 3.72Å; M254-Y597 HydrophobicContact CE-CG 3.94Å; M254-Y597 HydrophobicContact SD-CD2 3.67Å; M254-Y597 HydrophobicContact SD-CE1 4.17Å; M254-Y597 HydrophobicContact SD-CE2 3.1Å; M254-Y597 WeakPolarHBondContact SD-CE2 3.42Å; M254-Y597 HydrophobicContact SD-CG 4.38Å; C482-Y597 VanDerWaalsContact SG-CD2 3.51Å; T483-Y597 PolarHBondContact O-N 2.95Å; L484-Y597 WeakPolarHBondContact CA-O 3.27Å; V485-Y597 PolarHBondContact N-O 3.5Å; R595-Y597 HydrophobicContact CB-CE2 3.99Å; Y597-I611 HydrophobicContact CD1-CG2 3.55Å; Y597-I611 HydrophobicContact CG-CG2 4.06Å; Y597-K612 CarbonylContact C-O 3.57Å; Y597-K612 WeakPolarHBondContact CA-O 3.38Å
598H90.7Very high80.8Confident9 Ų946.5 Ų46.54%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-93.1115.4179.5-170.8-159.1000110.4V485 G487 V600 K612 C614 F619V485-H598 CarbonylContact O-C 3.47Å; V485-H598 WeakPolarHBondContact O-CA 3.32Å; V485-H598 PolarHBondContact O-CD2 3.24Å; G487-H598 PolarHBondContact O-NE2 2.96Å; H598-V600 WeakPolarHBondContact ND1-CG2 3.44Å; H598-V600 PolarHBondContact O-N 3.45Å; H598-K612 PolarHBondContact N-O 3.44Å; H598-K612 PolarHBondContact O-N 2.94Å; H598-C614 HydrophobicContact CB-CB 4.48Å; H598-C614 WeakPolarHBondContact CB-SG 3.39Å; H598-F619 HydrophobicContact CB-CZ 4.21Å
599L90.4Very high80.8Confident0 Ų044.6 Ų44.60%023%0.225CC..EExtended strand (participates in β ladder)trans-85.5105.8175-7672.7000108.3L484 V485 L486 G487 T610 I611 M637 A640 L641 L644L484-L599 HydrophobicContact CB-CD1 4.13Å; L484-L599 HydrophobicContact CD2-CD1 4.17Å; L484-L599 HydrophobicContact CG-CD1 4.49Å; V485-L599 PolarHBondContact O-N 2.91Å; L486-L599 HydrophobicContact CD1-CB 3.73Å; G487-L599 PolarHBondContact N-O 2.87Å; L599-T610 WeakPolarHBondContact CA-O 3.38Å; L599-I611 HydrophobicContact CG-CG1 4.31Å; L599-M637 HydrophobicContact CD2-SD 4.19Å; L599-A640 HydrophobicContact CD2-CB 3.84Å; L599-L641 HydrophobicContact CD2-CD2 4.07Å; L599-L641 HydrophobicContact CD2-CG 4.48Å; L599-L644 HydrophobicContact CD2-CD1 3.53Å; L599-L644 HydrophobicContact CG-CD1 3.97Å
600V83.9Confident80.6Confident42 Ų4242.8 Ų42.826%0.25522%0.221SC..EExtended strand (participates in β ladder)trans-105.4135.1180-172.20000109H598 T602 F609 T610 K612H598-V600 WeakPolarHBondContact ND1-CG2 3.44Å; H598-V600 PolarHBondContact O-N 3.45Å; V600-T602 PolarHBondContact O-N 3.48Å; V600-F609 CarbonylContact O-C 3.54Å; V600-F609 WeakPolarHBondContact O-CA 3.3Å; V600-T610 PolarHBondContact N-O 3.44Å; V600-T610 PolarHBondContact O-N 3.24Å; V600-T610 PolarHBondContact O-OG1 3.21Å; V600-K612 HydrophobicContact CG2-CD 4.21Å
601R78.7Confident80.3Confident82 Ų8243.8 Ų43.831%0.30923%0.227SC..EExtended strand (participates in β ladder)trans-74.5117.6177.1-156.7-178.9-73.9-138.93.9108.9F609R601-F609 HydrophobicContact CB-CD1 4.05Å; R601-F609 HydrophobicContact CB-CE1 3.82Å; R601-F609 HydrophobicContact CB-CZ 4.48Å; R601-F609 HydrophobicContact CG-CD1 4.27Å; R601-F609 HydrophobicContact CG-CE1 3.89Å; R601-F609 HydrophobicContact CG-CZ 4.06Å
602T70Confident80Confident73 Ų7346.4 Ų46.445%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-79.5-37.4-177.334.80000113.4V600 S608 T610V600-T602 PolarHBondContact O-N 3.48Å; T602-S608 PolarHBondContact N-O 3.06Å; T602-S608 WeakPolarHBondContact OG1-CB 3.37Å; T602-S608 PolarHBondContact OG1-O 3.32Å; T602-S608 VanDerWaalsContact OG1-O 3.08Å; T602-S608 PolarHBondContact OG1-OG 3.1Å; T602-T610 HydrophobicContact CG2-CG2 3.17Å; T602-T610 WeakPolarHBondContact CG2-OG1 3.36Å
603C59.1Low79.7Confident56 Ų5648 Ų4838%0.37824%0.244SC..EExtended strand (participates in β ladder)trans-137.6122.5-178.9-116.60000109.4W605 N606 G607C603-W605 PolarHBondContact O-N 3.46Å; C603-N606 HydrophobicContact CB-CB 4.42Å; C603-G607 PolarHBondContact O-N 3.38Å
604P56.7Low79.4Confident50 Ų5048.7 Ų48.733%0.32525%0.249SC..THydrogen-bonded Turntrans-59.7-30.4-179.8-21.429.7000113.5N534N534-P604 WeakPolarHBondContact OD1-CB 3.37Å
605W53.9Low79.1Confident195 Ų19554.1 Ų54.174%0.73927%0.274SS*.THydrogen-bonded Turntrans-84.2-40.5-171.4-5579.3000113.2C603C603-W605 PolarHBondContact O-N 3.46Å
606N63.1Low78.8Confident139 Ų13951.1 Ų51.174%0.74327%0.267SS*.THydrogen-bonded Turntrans-89.8-9.5-177.4-75.1-0.2000113.5C603 S608C603-N606 HydrophobicContact CB-CB 4.42Å; N606-S608 PolarHBondContact O-N 3.24Å; N606-S608 VanDerWaalsContact O-N 3.16Å
607G67.7Low78.5Confident18 Ų1854 Ų5419%0.18629%0.292CS..THydrogen-bonded Turntrans62.620.1-177.400000113.5C603 F609C603-G607 PolarHBondContact O-N 3.38Å; G607-F609 WeakPolarHBondContact O-CD2 3.47Å; G607-F609 WeakPolarHBondContact O-CE2 3.37Å
608S74.5Confident78.2Confident41 Ų4155.8 Ų55.829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-75.4144.3176.155.50000110.6T602 N606T602-S608 PolarHBondContact N-O 3.06Å; T602-S608 WeakPolarHBondContact OG1-CB 3.37Å; T602-S608 PolarHBondContact OG1-O 3.32Å; T602-S608 VanDerWaalsContact OG1-O 3.08Å; T602-S608 PolarHBondContact OG1-OG 3.1Å; N606-S608 PolarHBondContact O-N 3.24Å; N606-S608 VanDerWaalsContact O-N 3.16Å
609F81.9Confident78.1Confident18 Ų1855.8 Ų55.88%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-121.4151.7177.1-67.7-95.4000110L486 V600 R601 G607 A640 S643 L644L486-F609 HydrophobicContact CD1-CD1 3.85Å; L486-F609 HydrophobicContact CD1-CE1 3.49Å; L486-F609 VanDerWaalsContact CD1-CE1 3.49Å; L486-F609 HydrophobicContact CD1-CZ 4.29Å; V600-F609 CarbonylContact O-C 3.54Å; V600-F609 WeakPolarHBondContact O-CA 3.3Å; R601-F609 HydrophobicContact CB-CD1 4.05Å; R601-F609 HydrophobicContact CB-CE1 3.82Å; R601-F609 HydrophobicContact CB-CZ 4.48Å; R601-F609 HydrophobicContact CG-CD1 4.27Å; R601-F609 HydrophobicContact CG-CE1 3.89Å; R601-F609 HydrophobicContact CG-CZ 4.06Å; G607-F609 WeakPolarHBondContact O-CD2 3.47Å; G607-F609 WeakPolarHBondContact O-CE2 3.37Å; F609-A640 HydrophobicContact CD1-CB 3.98Å; F609-A640 HydrophobicContact CD2-CB 3.84Å; F609-A640 HydrophobicContact CE1-CB 3.96Å; F609-A640 HydrophobicContact CE2-CB 3.8Å; F609-A640 HydrophobicContact CG-CB 3.91Å; F609-A640 HydrophobicContact CZ-CB 3.85Å; F609-S643 VanDerWaalsContact CD2-OG 3.29Å; F609-S643 WeakPolarHBondContact CD2-OG 3.46Å; F609-L644 HydrophobicContact CB-CD1 4.3Å; F609-L644 HydrophobicContact CB-CD2 4.31Å; F609-L644 HydrophobicContact CB-CG 4.22Å; F609-L644 WeakPolarHBondContact O-CD2 3.49Å
610T81.3Confident77.7Confident48 Ų4859.4 Ų59.429%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-118.5146.5166.146.10000109.6L599 V600 T602L599-T610 WeakPolarHBondContact CA-O 3.38Å; V600-T610 PolarHBondContact N-O 3.44Å; V600-T610 PolarHBondContact O-N 3.24Å; V600-T610 PolarHBondContact O-OG1 3.21Å; T602-T610 HydrophobicContact CG2-CG2 3.17Å; T602-T610 WeakPolarHBondContact CG2-OG1 3.36Å
611I85Confident77.7Confident34 Ų3459.1 Ų59.117%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-94.3131.6172.1-59.7174.6000108.5Y597 L599 L644Y597-I611 HydrophobicContact CD1-CG2 3.55Å; Y597-I611 HydrophobicContact CG-CG2 4.06Å; L599-I611 HydrophobicContact CG-CG1 4.31Å; I611-L644 HydrophobicContact CD1-CD1 3.94Å; I611-L644 HydrophobicContact CD1-CD2 4.34Å; I611-L644 HydrophobicContact CG1-CD1 3.72Å; I611-L644 HydrophobicContact CG1-CD2 4.01Å
612K84.5Confident78Confident73 Ų7356.2 Ų56.232%0.31732%0.315SS..EExtended strand (participates in β ladder)trans-122.7141.8172.2-60.4-173177.5-171.10109.9C244 Y597 H598 V600C244-K612 HydrophobicContact CB-CB 4.22Å; C244-K612 HydrophobicContact CB-CD 3.98Å; Y597-K612 CarbonylContact C-O 3.57Å; Y597-K612 WeakPolarHBondContact CA-O 3.38Å; H598-K612 PolarHBondContact N-O 3.44Å; H598-K612 PolarHBondContact O-N 2.94Å; V600-K612 HydrophobicContact CG2-CD 4.21Å
613N86.2Confident78.6Confident35 Ų3554.3 Ų54.319%0.18730%0.299CS..EExtended strand (participates in β ladder)trans-79.2139.4170.7-166.7-7.8000108.8D248 I596D248-N613 PolarHBondContact OD2-ND2 3.47Å; I596-N613 PolarHBondContact O-OD1 3.37Å
614C87.4Confident79.6Confident14 Ų1452.4 Ų52.410%0.09529%0.285CS..EExtended strand (participates in β ladder)trans-138.9146.6-177.5-68.30000111.4C244 I596 H598 F619C244-C614 PolarHBondContact SG-SG 3.43Å; I596-C614 WeakPolarHBondContact CB-O 3.47Å; I596-C614 HydrophobicContact CG2-CB 4.48Å; I596-C614 PolarHBondContact O-N 2.84Å; H598-C614 HydrophobicContact CB-CB 4.48Å; H598-C614 WeakPolarHBondContact CB-SG 3.39Å; C614-F619 HydrophobicContact CB-CE2 3.76Å; C614-F619 HydrophobicContact CB-CZ 4.28Å
615E88.9Confident80.6Confident116 Ų11650.3 Ų50.354%0.54227%0.272SS..  trans-83.8155.4167.3-72.1-60.715400111.2K478 A617 G618K478-E615 IonicContact NZ-OE1 2.8Å; K478-E615 PolarHBondContact NZ-OE1 3.23Å; K478-E615 IonicContact NZ-OE2 3.61Å; K478-E615 PolarHBondContact NZ-OE2 2.88Å; E615-A617 PolarHBondContact O-N 2.91Å; E615-A617 VanDerWaalsContact O-N 3.09Å; E615-G618 PolarHBondContact O-N 2.75Å
616A87.2Confident81.7Confident21 Ų2142.5 Ų42.517%0.17425%0.247CC..G310 helixtrans-54.5-31.5179.500000112.8C591 I596 G618 F619C591-A616 HydrophobicContact CB-CB 3.9Å; I596-A616 HydrophobicContact CD1-CB 4.05Å; A616-G618 PolarHBondContact O-N 3.33Å; A616-F619 PolarHBondContact O-N 2.95Å; A616-F619 VanDerWaalsContact O-N 3.09Å
617A86.4Confident82.3Confident65 Ų6536.4 Ų36.454%0.53722%0.215SC..G310 helixtrans-59-26.8177.800000114.1E615 F619 E620E615-A617 PolarHBondContact O-N 2.91Å; E615-A617 VanDerWaalsContact O-N 3.09Å; A617-F619 PolarHBondContact O-N 3Å; A617-E620 VanDerWaalsContact CA-OE1 3.31Å; A617-E620 WeakPolarHBondContact CA-OE1 3.4Å; A617-E620 WeakPolarHBondContact O-CG 3.45Å; A617-E620 PolarHBondContact O-N 3.18Å
618G84.9Confident83Confident42 Ų4237.3 Ų37.343%0.43322%0.215SC..G310 helixtrans-68.6-11.2177.500000114.6R493 E615 A616R493-G618 PolarHBondContact NH1-O 3.27Å; E615-G618 PolarHBondContact O-N 2.75Å; A616-G618 PolarHBondContact O-N 3.33Å
619F87.5Confident83.2Confident9 Ų939 Ų394%0.03922%0.22CC..G310 helixtrans-110.78.4-176.8-61.3-85.9000113.5V485 C492 R493 I596 H598 C614 A616 A617 E621V485-F619 HydrophobicContact CB-CE1 3.87Å; V485-F619 HydrophobicContact CB-CZ 4.11Å; V485-F619 HydrophobicContact CG1-CD1 4.23Å; V485-F619 HydrophobicContact CG1-CE1 3.53Å; V485-F619 HydrophobicContact CG1-CZ 4.27Å; V485-F619 HydrophobicContact CG2-CE1 4.04Å; V485-F619 HydrophobicContact CG2-CZ 4.16Å; C492-F619 HydrophobicContact CB-CD1 4.35Å; R493-F619 VanDerWaalsContact CA-O 3.28Å; R493-F619 WeakPolarHBondContact CA-O 3.29Å; R493-F619 HydrophobicContact CG-CB 4.36Å; R493-F619 HydrophobicContact CG-CD1 4.22Å; I596-F619 HydrophobicContact CB-CE2 4.37Å; I596-F619 HydrophobicContact CD1-CD2 4.29Å; I596-F619 HydrophobicContact CD1-CE2 4.39Å; I596-F619 HydrophobicContact CG2-CD2 4.25Å; I596-F619 HydrophobicContact CG2-CE2 3.42Å; I596-F619 VanDerWaalsContact CG2-CE2 3.42Å; I596-F619 HydrophobicContact CG2-CZ 3.73Å; H598-F619 HydrophobicContact CB-CZ 4.21Å; C614-F619 HydrophobicContact CB-CE2 3.76Å; C614-F619 HydrophobicContact CB-CZ 4.28Å; A616-F619 PolarHBondContact O-N 2.95Å; A616-F619 VanDerWaalsContact O-N 3.09Å; A617-F619 PolarHBondContact O-N 3Å; F619-E621 VanDerWaalsContact C-N 3.29Å; F619-E621 PolarHBondContact O-N 3.31Å
620E83.5Confident83.3Confident76 Ų7640.2 Ų40.236%0.35523%0.231SC..SBendtrans-75.2-16.6-177.5-64.8179-171.400114.5S498 K589 A617S498-E620 WeakPolarHBondContact CB-O 3.43Å; K589-E620 VanDerWaalsContact CE-OE1 3.24Å; K589-E620 WeakPolarHBondContact CE-OE1 3.4Å; K589-E620 WeakPolarHBondContact CE-OE2 3.43Å; K589-E620 IonicContact NZ-OE1 2.69Å; K589-E620 PolarHBondContact NZ-OE1 3.07Å; K589-E620 IonicContact NZ-OE2 2.99Å; K589-E620 PolarHBondContact NZ-OE2 2.94Å; A617-E620 VanDerWaalsContact CA-OE1 3.31Å; A617-E620 WeakPolarHBondContact CA-OE1 3.4Å; A617-E620 WeakPolarHBondContact O-CG 3.45Å; A617-E620 PolarHBondContact O-N 3.18Å
621E83.8Confident83.6Confident37 Ų3738.1 Ų38.117%0.17322%0.218CC..SBendtrans-113.6130.4-178.9-175.8160.1-132.600110.5Q238 R493 R501 F619 R623Q238-E621 PolarHBondContact NE2-OE2 3.03Å; R493-E621 VanDerWaalsContact CD-O 3.27Å; R493-E621 WeakPolarHBondContact CD-O 3.43Å; R493-E621 PolarHBondContact NH1-O 3.26Å; R493-E621 VanDerWaalsContact NH1-O 3.07Å; R501-E621 IonicContact CZ-OE1 3.92Å; R501-E621 VanDerWaalsContact CZ-OE1 3.23Å; R501-E621 IonicContact CZ-OE2 2.77Å; R501-E621 IonicContact NE-OE1 3.76Å; R501-E621 PolarHBondContact NE-OE1 3.17Å; R501-E621 VanDerWaalsContact NH2-CD 3.27Å; R501-E621 IonicContact NH2-OE1 2.64Å; R501-E621 PolarHBondContact NH2-OE1 2.95Å; R501-E621 IonicContact NH2-OE2 3.88Å; R501-E621 PolarHBondContact NH2-OE2 3.01Å; R501-E621 VanDerWaalsContact NH2-OE2 3.17Å; F619-E621 VanDerWaalsContact C-N 3.29Å; F619-E621 PolarHBondContact O-N 3.31Å; E621-R623 PolarHBondContact O-N 2.97Å
622I83.8Confident83.9Confident20 Ų2037.5 Ų37.510%0.10321%0.214CC..  trans-74.7114.8174.2-65.2165.6000108.1R493 L494 L499 L502 L624R493-I622 HydrophobicContact CB-CG1 4.09Å; L494-I622 HydrophobicContact CD1-CD1 4.35Å; L499-I622 HydrophobicContact CD2-CD1 4.09Å; L502-I622 HydrophobicContact CD2-CB 4.5Å; L502-I622 HydrophobicContact CD2-CD1 3.81Å; L502-I622 HydrophobicContact CD2-CG2 4.43Å; I622-L624 HydrophobicContact CG2-CD2 3.99Å
623R83.5Confident84Confident34 Ų3439.7 Ų39.713%0.12822%0.224CC..  trans-87.5114.2175.2-67.8-176.7178-177.4-2.8109.4D488 E621 S625D488-R623 HydrophobicContact CB-CB 4.18Å; D488-R623 VanDerWaalsContact OD1-CD 3.26Å; D488-R623 WeakPolarHBondContact OD1-CD 3.45Å; D488-R623 IonicContact OD1-NH1 3.36Å; E621-R623 PolarHBondContact O-N 2.97Å; R623-S625 PolarHBondContact O-N 2.97Å
624L80.7Confident84.1Confident15 Ų1539 Ų398%0.07922%0.221CC..  trans-81.991.4179.2-55.2171000108.7L226 L229 A230 N235 L502 I622 M628L226-L624 HydrophobicContact CD2-CD1 3.89Å; L226-L624 HydrophobicContact CD2-CD2 3.8Å; L229-L624 HydrophobicContact CB-CD1 3.47Å; L229-L624 VanDerWaalsContact CB-CD1 3.47Å; L229-L624 HydrophobicContact CD1-CD1 4.18Å; A230-L624 HydrophobicContact CB-CB 3.94Å; N235-L624 WeakPolarHBondContact ND2-CB 3.4Å; N235-L624 PolarHBondContact ND2-O 2.84Å; L502-L624 HydrophobicContact CD1-CD1 4.17Å; L502-L624 HydrophobicContact CD1-CD2 4.5Å; I622-L624 HydrophobicContact CG2-CD2 3.99Å; L624-M628 HydrophobicContact CD2-SD 4.09Å
625S77.8Confident84.1Confident6 Ų642.9 Ų42.94%0.04224%0.238CC..  trans-117.6160.3174.787.30000110.8D488 W528 R623 S627 M628D488-S625 WeakPolarHBondContact CB-OG 3.45Å; D488-S625 VanDerWaalsContact OD2-CB 3.25Å; D488-S625 WeakPolarHBondContact OD2-CB 3.3Å; D488-S625 PolarHBondContact OD2-OG 3.45Å; D488-S625 VanDerWaalsContact OD2-OG 3.05Å; W528-S625 WeakPolarHBondContact CZ2-O 3.38Å; R623-S625 PolarHBondContact O-N 2.97Å; S625-S627 PolarHBondContact O-N 3.25Å; S625-S627 PolarHBondContact OG-N 3.48Å; S625-S627 PolarHBondContact OG-OG 2.96Å; S625-M628 WeakPolarHBondContact O-CG 3.03Å; S625-M628 PolarHBondContact O-N 3.4Å; S625-M628 PolarHBondContact OG-N 3.32Å
626S75.3Confident84.1Confident32 Ų3238.8 Ų38.822%0.22422%0.223CC..THydrogen-bonded Turntrans-68.2-15.6176.961.50000114.1W528 R536W528-S626 VanDerWaalsContact CE2-CA 3.42Å; R536-S626 PolarHBondContact NH2-OG 3.37Å
627S77.1Confident84.3Confident11 Ų1137.8 Ų37.88%0.07721%0.214CC..THydrogen-bonded Turntrans-99.7-3.7177.164.70000113.8S625 I629 S630 D631S625-S627 PolarHBondContact O-N 3.25Å; S625-S627 PolarHBondContact OG-N 3.48Å; S625-S627 PolarHBondContact OG-OG 2.96Å; S627-I629 PolarHBondContact O-N 3.39Å; S627-S630 VanDerWaalsContact CA-OG 3.23Å; S627-S630 WeakPolarHBondContact CA-OG 3.38Å; S627-S630 WeakPolarHBondContact CB-OG 3.45Å; S627-S630 CarbonylContact O-C 3.53Å; S627-S630 PolarHBondContact O-N 3.13Å; S627-S630 PolarHBondContact O-OG 3.25Å; S627-D631 WeakPolarHBondContact CB-OD1 3.24Å; S627-D631 WeakPolarHBondContact CB-OD2 3.07Å; S627-D631 VanDerWaalsContact O-CB 3.25Å; S627-D631 WeakPolarHBondContact O-CB 3.41Å; S627-D631 PolarHBondContact O-N 2.85Å; S627-D631 PolarHBondContact OG-OD2 3.13Å
628M82.4Confident84.6Confident37 Ų3735.2 Ų35.218%0.18219%0.191CC..Hα-helixtrans-54.5-35.9-172.976.1-178.6-167.100114D488 F490 L624 S625D488-M628 HydrophobicContact CB-CB 4.43Å; D488-M628 VanDerWaalsContact O-CA 3.32Å; D488-M628 WeakPolarHBondContact O-CA 3.15Å; D488-M628 VanDerWaalsContact O-CB 3.26Å; D488-M628 WeakPolarHBondContact O-CB 3.25Å; F490-M628 HydrophobicContact CB-CB 4.26Å; F490-M628 HydrophobicContact CB-CG 4.26Å; F490-M628 PolarHBondContact N-O 2.86Å; F490-M628 VanDerWaalsContact N-O 3.14Å; L624-M628 HydrophobicContact CD2-SD 4.09Å; S625-M628 WeakPolarHBondContact O-CG 3.03Å; S625-M628 PolarHBondContact O-N 3.4Å; S625-M628 PolarHBondContact OG-N 3.32Å
629I79Confident84.8Confident75 Ų7539.7 Ų39.739%0.38520%0.199SC..Hα-helixtrans-81.9-43.8176.5-60.5172.3000110.1S627 D631 H632 F633S627-I629 PolarHBondContact O-N 3.39Å; I629-D631 VanDerWaalsContact C-N 3.3Å; I629-D631 PolarHBondContact O-N 3.32Å; I629-H632 WeakPolarHBondContact O-CB 3.33Å; I629-H632 PolarHBondContact O-N 3.46Å; I629-F633 HydrophobicContact CG2-CE2 4.27Å; I629-F633 HydrophobicContact CG2-CZ 4.04Å; I629-F633 PolarHBondContact O-N 2.98Å
630S83.5Confident84.9Confident45 Ų4539.3 Ų39.332%0.31520%0.197SC..Hα-helixtrans-68.8-30.1-178.163.50000113.2S627 H632 F633 S636S627-S630 VanDerWaalsContact CA-OG 3.23Å; S627-S630 WeakPolarHBondContact CA-OG 3.38Å; S627-S630 WeakPolarHBondContact CB-OG 3.45Å; S627-S630 CarbonylContact O-C 3.53Å; S627-S630 PolarHBondContact O-N 3.13Å; S627-S630 PolarHBondContact O-OG 3.25Å; S630-H632 PolarHBondContact O-N 3.04Å; S630-F633 WeakPolarHBondContact O-CB 3.21Å; S630-F633 PolarHBondContact O-N 3.27Å; S630-F633 VanDerWaalsContact O-N 3.1Å; S630-S636 VanDerWaalsContact O-CB 3.24Å; S630-S636 WeakPolarHBondContact O-CB 3.43Å; S630-S636 PolarHBondContact O-OG 3.22Å
631D87.4Confident85.3Confident3 Ų335.7 Ų35.72%0.01618%0.18CC..Hα-helixtrans-68.6-28.4176.7-70.7-18.4000110.5L486 D488 S627 I629 F633L486-D631 HydrophobicContact CD2-CB 4.4Å; L486-D631 HydrophobicContact CG-CB 4.28Å; D488-D631 PolarHBondContact N-OD2 3.45Å; S627-D631 WeakPolarHBondContact CB-OD1 3.24Å; S627-D631 WeakPolarHBondContact CB-OD2 3.07Å; S627-D631 VanDerWaalsContact O-CB 3.25Å; S627-D631 WeakPolarHBondContact O-CB 3.41Å; S627-D631 PolarHBondContact O-N 2.85Å; S627-D631 PolarHBondContact OG-OD2 3.13Å; I629-D631 VanDerWaalsContact C-N 3.3Å; I629-D631 PolarHBondContact O-N 3.32Å; D631-F633 VanDerWaalsContact C-N 3.3Å
632H90.5Very high85.6Confident21 Ų2139.7 Ų39.710%0.09719%0.194CC..THydrogen-bonded Turntrans-75.2-17.3171.1-166.760.6000113.4H436 S437 S463 D489 F490 A491 I629 S630H436-H632 PolarHBondContact CE1-O 3.06Å; H436-H632 VanDerWaalsContact CE1-O 3.23Å; H436-H632 PolarHBondContact NE2-O 3.25Å; H436-H632 VanDerWaalsContact NE2-O 3.09Å; S437-H632 VanDerWaalsContact CB-NE2 3.34Å; S437-H632 WeakPolarHBondContact CB-NE2 3.4Å; S437-H632 PolarHBondContact OG-CE1 2.99Å; S437-H632 PolarHBondContact OG-NE2 3.39Å; S463-H632 PolarHBondContact O-CE1 3.09Å; D489-H632 VanDerWaalsContact CG-ND1 3.27Å; D489-H632 WeakPolarHBondContact OD1-CB 3.41Å; D489-H632 IonicContact OD1-CE1 2.95Å; D489-H632 IonicContact OD1-CG 3.62Å; D489-H632 IonicContact OD1-ND1 2.72Å; D489-H632 PolarHBondContact OD1-ND1 3Å; D489-H632 WeakPolarHBondContact OD2-CA 3.39Å; D489-H632 IonicContact OD2-CE1 3.63Å; D489-H632 IonicContact OD2-CG 3.42Å; D489-H632 IonicContact OD2-ND1 3.4Å; D489-H632 PolarHBondContact OD2-ND1 3.39Å; F490-H632 HydrophobicContact CD1-CB 4.13Å; F490-H632 HydrophobicContact CE1-CB 4.14Å; A491-H632 WeakPolarHBondContact CB-CE1 3.43Å; A491-H632 WeakPolarHBondContact CB-ND1 3.39Å; I629-H632 WeakPolarHBondContact O-CB 3.33Å; I629-H632 PolarHBondContact O-N 3.46Å; S630-H632 PolarHBondContact O-N 3.04Å
633F87.7Confident85.7Confident119 Ų11940.1 Ų40.152%0.52220%0.198SC..SBendtrans-68.8136.5179.7-72.8-43.3000110.8I629 S630 D631 Q635 S636 M637I629-F633 HydrophobicContact CG2-CE2 4.27Å; I629-F633 HydrophobicContact CG2-CZ 4.04Å; I629-F633 PolarHBondContact O-N 2.98Å; S630-F633 WeakPolarHBondContact O-CB 3.21Å; S630-F633 PolarHBondContact O-N 3.27Å; S630-F633 VanDerWaalsContact O-N 3.1Å; D631-F633 VanDerWaalsContact C-N 3.3Å; F633-Q635 PolarHBondContact O-N 3.5Å; F633-Q635 VanDerWaalsContact O-N 3.13Å; F633-S636 VanDerWaalsContact O-CB 3.3Å; F633-S636 WeakPolarHBondContact O-CB 3.27Å; F633-S636 PolarHBondContact O-N 3.29Å; F633-M637 PolarHBondContact O-N 3.48Å
634P88.3Confident85.8Confident20 Ų2039.5 Ų39.513%0.1320%0.198CC..Hα-helixtrans-62.8-31.2-172.518-29.2000113.8M263 L267 Y274 S636 M637 M638M263-P634 HydrophobicContact CE-CB 3.76Å; L267-P634 HydrophobicContact CD2-CB 3.15Å; L267-P634 HydrophobicContact CD2-CG 3.87Å; L267-P634 HydrophobicContact CG-CB 4.33Å; Y274-P634 HydrophobicContact CE2-CG 4.14Å; P634-S636 PolarHBondContact O-N 2.82Å; P634-M637 PolarHBondContact O-N 3.29Å; P634-M638 WeakPolarHBondContact O-CB 3.27Å; P634-M638 PolarHBondContact O-N 3.19Å
635Q86.7Confident85.8Confident96 Ų9639.1 Ų39.145%0.44920%0.196SC..Hα-helixtrans-63.2-33.5176.7-64.4178.24.700111.9Y274 F633 M638 K639Y274-Q635 HydrophobicContact CE2-CG 4.29Å; F633-Q635 PolarHBondContact O-N 3.5Å; F633-Q635 VanDerWaalsContact O-N 3.13Å; Q635-M638 PolarHBondContact O-N 3.34Å; Q635-K639 WeakPolarHBondContact O-CB 3.47Å; Q635-K639 PolarHBondContact O-N 2.87Å
636S89.2Confident85.5Confident31 Ų3144.7 Ų44.722%0.21723%0.225CC..Hα-helixtrans-68.3-46.4177.5-58.40000110.8L486 S630 F633 P634 M638 K639 A640L486-S636 VanDerWaalsContact CD2-C 3.45Å; S630-S636 VanDerWaalsContact O-CB 3.24Å; S630-S636 WeakPolarHBondContact O-CB 3.43Å; S630-S636 PolarHBondContact O-OG 3.22Å; F633-S636 VanDerWaalsContact O-CB 3.3Å; F633-S636 WeakPolarHBondContact O-CB 3.27Å; F633-S636 PolarHBondContact O-N 3.29Å; P634-S636 PolarHBondContact O-N 2.82Å; S636-M638 VanDerWaalsContact C-N 3.3Å; S636-M638 PolarHBondContact O-N 2.76Å; S636-K639 PolarHBondContact O-N 2.76Å; S636-A640 PolarHBondContact O-N 2.77Å
637M92Very high85Confident0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-57.9-45.6172.6-179.562.476.100110.7M263 F462 S463 L484 L486 L599 F633 P634 K639 A640 L641M263-M637 HydrophobicContact CE-CB 4.01Å; M263-M637 HydrophobicContact CE-CG 4.03Å; M263-M637 HydrophobicContact CG-CG 4.32Å; M263-M637 HydrophobicContact SD-CG 4.04Å; F462-M637 HydrophobicContact CB-CG 4.42Å; F462-M637 HydrophobicContact CD1-CG 4.18Å; F462-M637 HydrophobicContact CD1-SD 4.41Å; S463-M637 WeakPolarHBondContact OG-CE 3.48Å; L484-M637 HydrophobicContact CB-CE 4.31Å; L484-M637 HydrophobicContact CB-SD 4.43Å; L484-M637 VanDerWaalsContact O-CE 3.31Å; L484-M637 WeakPolarHBondContact O-CE 3.49Å; L486-M637 HydrophobicContact CB-CE 3.79Å; L486-M637 HydrophobicContact CB-SD 4.44Å; L599-M637 HydrophobicContact CD2-SD 4.19Å; F633-M637 PolarHBondContact O-N 3.48Å; P634-M637 PolarHBondContact O-N 3.29Å; M637-K639 VanDerWaalsContact C-N 3.34Å; M637-K639 PolarHBondContact O-N 3.33Å; M637-A640 PolarHBondContact O-N 2.97Å; M637-L641 HydrophobicContact CG-CD1 4.03Å; M637-L641 WeakPolarHBondContact O-CG 3.46Å; M637-L641 PolarHBondContact O-N 2.97Å; M637-L641 HydrophobicContact SD-CD1 4.25Å; M637-L641 HydrophobicContact SD-CG 4.27Å
638M91.7Very high84Confident10 Ų1050.8 Ų50.85%0.04926%0.263CS..Hα-helixtrans-63.6-39.4-179.5-157.960.9-98.800112.7E260 M263 L267 P634 Q635 S636 L641 R642E260-M638 HydrophobicContact CB-CE 3.91Å; E260-M638 HydrophobicContact CG-CE 3.58Å; M263-M638 HydrophobicContact CB-CE 4.25Å; M263-M638 HydrophobicContact CB-SD 3.73Å; M263-M638 HydrophobicContact CG-CE 4.37Å; M263-M638 HydrophobicContact CG-SD 3.44Å; M263-M638 WeakPolarHBondContact CG-SD 3.41Å; L267-M638 HydrophobicContact CD1-CB 4.06Å; L267-M638 HydrophobicContact CD1-CG 3.95Å; L267-M638 HydrophobicContact CD1-SD 3.91Å; P634-M638 WeakPolarHBondContact O-CB 3.27Å; P634-M638 PolarHBondContact O-N 3.19Å; Q635-M638 PolarHBondContact O-N 3.34Å; S636-M638 VanDerWaalsContact C-N 3.3Å; S636-M638 PolarHBondContact O-N 2.76Å; M638-L641 HydrophobicContact CE-CB 3.94Å; M638-L641 HydrophobicContact CE-CD1 4.29Å; M638-R642 HydrophobicContact CE-CG 4.38Å; M638-R642 WeakPolarHBondContact O-CB 3.46Å; M638-R642 WeakPolarHBondContact O-CG 3.16Å; M638-R642 PolarHBondContact O-N 3.47Å
639K89.6Confident81.8Confident137 Ų13754.4 Ų54.460%0.59628%0.28SS*.Hα-helixtrans-65.3-40.6174.6-175.2176.6-179.6176.20112Q635 S636 M637 S643Q635-K639 WeakPolarHBondContact O-CB 3.47Å; Q635-K639 PolarHBondContact O-N 2.87Å; S636-K639 PolarHBondContact O-N 2.76Å; M637-K639 VanDerWaalsContact C-N 3.34Å; M637-K639 PolarHBondContact O-N 3.33Å; K639-S643 PolarHBondContact O-N 3.39Å; K639-S643 VanDerWaalsContact O-N 3.16Å
640A90.5Very high79.4Confident0 Ų061.1 Ų61.10%032%0.315CS..Hα-helixtrans-64.7-46.2177.900000111.2L486 L599 F609 S636 M637 R642 S643 L644L486-A640 HydrophobicContact CD1-CB 3.65Å; L486-A640 HydrophobicContact CD2-CB 4.46Å; L599-A640 HydrophobicContact CD2-CB 3.84Å; F609-A640 HydrophobicContact CD1-CB 3.98Å; F609-A640 HydrophobicContact CD2-CB 3.84Å; F609-A640 HydrophobicContact CE1-CB 3.96Å; F609-A640 HydrophobicContact CE2-CB 3.8Å; F609-A640 HydrophobicContact CG-CB 3.91Å; F609-A640 HydrophobicContact CZ-CB 3.85Å; S636-A640 PolarHBondContact O-N 2.77Å; M637-A640 PolarHBondContact O-N 2.97Å; A640-R642 PolarHBondContact O-N 3.15Å; A640-S643 PolarHBondContact O-N 3.35Å; A640-S643 PolarHBondContact O-OG 3.12Å; A640-L644 WeakPolarHBondContact O-CG 3.35Å; A640-L644 PolarHBondContact O-N 3.18Å
641L91.5Very high79.2Confident1 Ų161.9 Ų61.91%0.00532%0.315CS..Hα-helixtrans-62.8-42177.8-68.7171.3000112.7A259 E260 M263 F462 L484 L599 M637 M638 S643 L644 S645A259-L641 HydrophobicContact CB-CD2 3.96Å; E260-L641 HydrophobicContact CB-CB 4.22Å; M263-L641 HydrophobicContact CB-CD1 3.65Å; M263-L641 HydrophobicContact CG-CD1 3.92Å; F462-L641 HydrophobicContact CD1-CD1 4.14Å; F462-L641 HydrophobicContact CE1-CD1 3.75Å; L484-L641 HydrophobicContact CD2-CD2 3.73Å; L599-L641 HydrophobicContact CD2-CD2 4.07Å; L599-L641 HydrophobicContact CD2-CG 4.48Å; M637-L641 HydrophobicContact CG-CD1 4.03Å; M637-L641 WeakPolarHBondContact O-CG 3.46Å; M637-L641 PolarHBondContact O-N 2.97Å; M637-L641 HydrophobicContact SD-CD1 4.25Å; M637-L641 HydrophobicContact SD-CG 4.27Å; M638-L641 HydrophobicContact CE-CB 3.94Å; M638-L641 HydrophobicContact CE-CD1 4.29Å; L641-S643 VanDerWaalsContact C-N 3.29Å; L641-S643 PolarHBondContact O-N 3.33Å; L641-L644 PolarHBondContact O-N 2.82Å; L641-L644 VanDerWaalsContact O-N 3.1Å; L641-S645 PolarHBondContact O-N 3.32Å; L641-S645 PolarHBondContact O-OG 2.96Å
642R89.5Confident78.7Confident120 Ų12065 Ų6545%0.45333%0.331SS..Hα-helixtrans-57.5-40.4173-84.3173.7-177.8173.55.5113.3E260 M638 A640 L644 S645 L646E260-R642 WeakPolarHBondContact OE1-CG 3.03Å; E260-R642 IonicContact OE1-NE 3.53Å; E260-R642 PolarHBondContact OE1-NE 3.39Å; M638-R642 HydrophobicContact CE-CG 4.38Å; M638-R642 WeakPolarHBondContact O-CB 3.46Å; M638-R642 WeakPolarHBondContact O-CG 3.16Å; M638-R642 PolarHBondContact O-N 3.47Å; A640-R642 PolarHBondContact O-N 3.15Å; R642-L644 VanDerWaalsContact C-N 3.27Å; R642-L644 PolarHBondContact O-N 3.12Å; R642-S645 WeakPolarHBondContact CA-OG 3.17Å; R642-S645 PolarHBondContact O-OG 3.16Å; R642-L646 WeakPolarHBondContact O-CD1 3.46Å; R642-L646 VanDerWaalsContact O-CG 3.27Å; R642-L646 WeakPolarHBondContact O-CG 3.42Å; R642-L646 PolarHBondContact O-N 3.28Å
643S86.4Confident78.1Confident29 Ų2967.4 Ų67.420%0.20334%0.344CS..Hα-helixtrans-65.5-35.5177.777.60000111.9F609 K639 A640 L641 V647F609-S643 VanDerWaalsContact CD2-OG 3.29Å; F609-S643 WeakPolarHBondContact CD2-OG 3.46Å; K639-S643 PolarHBondContact O-N 3.39Å; K639-S643 VanDerWaalsContact O-N 3.16Å; A640-S643 PolarHBondContact O-N 3.35Å; A640-S643 PolarHBondContact O-OG 3.12Å; L641-S643 VanDerWaalsContact C-N 3.29Å; L641-S643 PolarHBondContact O-N 3.33Å; S643-V647 WeakPolarHBondContact O-CG2 3.3Å
644L85Confident77.5Confident22 Ų2264.4 Ų64.412%0.11533%0.333CS..Hα-helixtrans-76.2-38.5-179.7-70.9161.5000111.8A256 L599 F609 I611 A640 L641 R642 V647 S648A256-L644 HydrophobicContact CB-CB 4.12Å; L599-L644 HydrophobicContact CD2-CD1 3.53Å; L599-L644 HydrophobicContact CG-CD1 3.97Å; F609-L644 HydrophobicContact CB-CD1 4.3Å; F609-L644 HydrophobicContact CB-CD2 4.31Å; F609-L644 HydrophobicContact CB-CG 4.22Å; F609-L644 WeakPolarHBondContact O-CD2 3.49Å; I611-L644 HydrophobicContact CD1-CD1 3.94Å; I611-L644 HydrophobicContact CD1-CD2 4.34Å; I611-L644 HydrophobicContact CG1-CD1 3.72Å; I611-L644 HydrophobicContact CG1-CD2 4.01Å; A640-L644 WeakPolarHBondContact O-CG 3.35Å; A640-L644 PolarHBondContact O-N 3.18Å; L641-L644 PolarHBondContact O-N 2.82Å; L641-L644 VanDerWaalsContact O-N 3.1Å; R642-L644 VanDerWaalsContact C-N 3.27Å; R642-L644 PolarHBondContact O-N 3.12Å; L644-V647 PolarHBondContact O-N 3.35Å; L644-S648 PolarHBondContact O-N 2.91Å
645S81.3Confident76.8Confident7 Ų767.2 Ų67.25%0.04935%0.346CS..Hα-helixtrans-67.5-36178.564.60000112.3E260 L641 R642 V647 S648 H649E260-S645 WeakPolarHBondContact OE2-CB 3.29Å; E260-S645 PolarHBondContact OE2-OG 3.28Å; L641-S645 PolarHBondContact O-N 3.32Å; L641-S645 PolarHBondContact O-OG 2.96Å; R642-S645 WeakPolarHBondContact CA-OG 3.17Å; R642-S645 PolarHBondContact O-OG 3.16Å; S645-V647 VanDerWaalsContact C-N 3.33Å; S645-V647 PolarHBondContact O-N 3.32Å; S645-S648 WeakPolarHBondContact CA-OG 3.44Å; S645-S648 PolarHBondContact O-N 3.27Å; S645-S648 PolarHBondContact O-OG 2.82Å; S645-H649 PolarHBondContact O-CD2 2.99Å
646L71.8Confident76.2Confident122 Ų12265.3 Ų65.364%0.63934%0.339SS*.Hα-helixtrans-63.1-37.4174.1-73.1168.8000112.7R642 H649R642-L646 WeakPolarHBondContact O-CD1 3.46Å; R642-L646 VanDerWaalsContact O-CG 3.27Å; R642-L646 WeakPolarHBondContact O-CG 3.42Å; R642-L646 PolarHBondContact O-N 3.28Å; L646-H649 PolarHBondContact O-N 3.36Å
647V64.8Low75.2Confident100 Ų10067.7 Ų67.761%0.60635%0.348SS*.Hα-helixtrans-71.7-32178.1177.50000111.4S643 L644 S645 H649 L650S643-V647 WeakPolarHBondContact O-CG2 3.3Å; L644-V647 PolarHBondContact O-N 3.35Å; S645-V647 VanDerWaalsContact C-N 3.33Å; S645-V647 PolarHBondContact O-N 3.32Å; V647-H649 PolarHBondContact O-N 3.26Å; V647-H649 VanDerWaalsContact O-N 3.14Å; V647-L650 PolarHBondContact O-N 3.22Å
648S55.5Low74Confident72 Ų7272.9 Ų72.950%0.50337%0.374SS..THydrogen-bonded Turntrans-70.7-2.517663.80000115.1L644 S645L644-S648 PolarHBondContact O-N 2.91Å; S645-S648 WeakPolarHBondContact CA-OG 3.44Å; S645-S648 PolarHBondContact O-N 3.27Å; S645-S648 PolarHBondContact O-OG 2.82Å
649H36.2Very low72.5Confident113 Ų11378.2 Ų78.252%0.52340%0.401SS..THydrogen-bonded Turntrans-1052.1177.8-81.8-57.8000114.3R257 S645 L646 V647R257-H649 PolarHBondContact NE-NE2 3.06Å; R257-H649 PolarHBondContact NH2-NE2 3.25Å; S645-H649 PolarHBondContact O-CD2 2.99Å; L646-H649 PolarHBondContact O-N 3.36Å; V647-H649 PolarHBondContact O-N 3.26Å; V647-H649 VanDerWaalsContact O-N 3.14Å
650L27.8Very low70.9Confident215 Ų21572.8 Ų72.8100%1.12638%0.384SS*.  trans-107.60172-72.5162.9000109.5V647V647-L650 PolarHBondContact O-N 3.22Å

Retrieved 650 of 650 residues in 1130.2 ms (Link to these results)

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