A0A087XP25_POEFO Loading...

Sideroflexin 4

AlphaFold DB , UniProt , Accession A0A087XP25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M57.8Low68.7Low161 Ų16149.3 Ų49.379%0.79325%0.253SS*.  0127.50-173.3169.493.700108.6A3 L6 N208 G209M1-A3 PolarHBondContact O-N 3.2Å; M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CG-CD1 3.52Å; M1-L6 HydrophobicContact SD-CD1 3.45Å; M1-L6 WeakPolarHBondContact SD-CD1 3.43Å; M1-N208 VanDerWaalsContact CG-O 3.27Å; M1-N208 WeakPolarHBondContact CG-O 3.46Å; M1-G209 CarbonylContact C-O 3.58Å; M1-G209 VanDerWaalsContact CA-O 3.26Å; M1-G209 WeakPolarHBondContact CA-O 3.34Å
2D64Low68Low26 Ų2645.7 Ų45.714%0.13924%0.237CC..  trans-83103176.6-169.9-36.2000110.6N4 L5 L6 F205 G209 H311D2-N4 PolarHBondContact OD1-N 3.21Å; D2-N4 VanDerWaalsContact OD1-N 3.14Å; D2-L5 HydrophobicContact CB-CB 3.96Å; D2-L5 PolarHBondContact OD1-N 3.06Å; D2-L6 PolarHBondContact O-N 3.18Å; D2-F205 HydrophobicContact CB-CD1 4.36Å; D2-F205 HydrophobicContact CB-CE1 4.06Å; D2-G209 PolarHBondContact N-O 3.42Å; D2-H311 IonicContact OD1-CE1 3.38Å; D2-H311 IonicContact OD1-NE2 3.61Å; D2-H311 IonicContact OD2-CD2 2.73Å; D2-H311 IonicContact OD2-CE1 3.97Å; D2-H311 IonicContact OD2-NE2 3.69Å; D2-H311 PolarHBondContact OD2-NE2 2.99Å
3A63.3Low68.3Low35 Ų3555.3 Ų55.329%0.28928%0.28SS..Hα-helixtrans-68.1-35-177.300000112.9M1 L6 Q7 I45M1-A3 PolarHBondContact O-N 3.2Å; A3-L6 PolarHBondContact O-N 3.15Å; A3-Q7 WeakPolarHBondContact O-CB 3.39Å; A3-Q7 PolarHBondContact O-N 3.08Å; A3-I45 HydrophobicContact CB-CG2 4.29Å
4N71.1Confident69.5Low12 Ų1255.8 Ų55.86%0.06429%0.291CS..Hα-helixtrans-66.1-41.5179.1-71.6-28.7000110.6D2 Q7 W8 P68D2-N4 PolarHBondContact OD1-N 3.21Å; D2-N4 VanDerWaalsContact OD1-N 3.14Å; N4-Q7 PolarHBondContact O-N 3.49Å; N4-W8 PolarHBondContact O-N 2.97Å; N4-P68 PolarHBondContact ND2-O 3.3Å
5L72.2Confident70.8Confident0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-65.4-42.2179.2-173.1142.3000112.4D2 Q7 W8 K9 F205 I309D2-L5 HydrophobicContact CB-CB 3.96Å; D2-L5 PolarHBondContact OD1-N 3.06Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-W8 PolarHBondContact O-N 3.44Å; L5-K9 WeakPolarHBondContact O-CB 3.28Å; L5-K9 PolarHBondContact O-N 3.13Å; L5-F205 HydrophobicContact CD1-CB 4.31Å; L5-F205 HydrophobicContact CD1-CD2 3.39Å; L5-F205 HydrophobicContact CD1-CE2 3.82Å; L5-F205 HydrophobicContact CD1-CG 3.92Å; L5-I309 HydrophobicContact CD1-CB 4.49Å; L5-I309 HydrophobicContact CD1-CG2 4.04Å; L5-I309 HydrophobicContact CD2-CB 3.9Å; L5-I309 HydrophobicContact CD2-CD1 4.15Å; L5-I309 HydrophobicContact CD2-CG2 3.54Å; L5-I309 HydrophobicContact CG-CG2 3.88Å
6L70.3Confident71.9Confident30 Ų3061.6 Ų61.616%0.15732%0.318CS..Hα-helixtrans-67.4-34.6176.5-71.2171.1000112.2M1 D2 A3 K9 N10M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CG-CD1 3.52Å; M1-L6 HydrophobicContact SD-CD1 3.45Å; M1-L6 WeakPolarHBondContact SD-CD1 3.43Å; D2-L6 PolarHBondContact O-N 3.18Å; A3-L6 PolarHBondContact O-N 3.15Å; L6-K9 HydrophobicContact CD2-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.3Å; L6-N10 VanDerWaalsContact O-CG 3.27Å; L6-N10 PolarHBondContact O-N 3.37Å; L6-N10 PolarHBondContact O-ND2 3.3Å
7Q72.8Confident72.7Confident20 Ų2060.6 Ų60.69%0.09332%0.318CS..Hα-helixtrans-64.5-46.8174.3-177.2160.949.600112.2A3 N4 L5 K9 N10 Q11 L63A3-Q7 WeakPolarHBondContact O-CB 3.39Å; A3-Q7 PolarHBondContact O-N 3.08Å; N4-Q7 PolarHBondContact O-N 3.49Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.16Å; Q7-N10 PolarHBondContact O-N 2.97Å; Q7-N10 VanDerWaalsContact O-N 3.16Å; Q7-Q11 WeakPolarHBondContact O-CG 3.45Å; Q7-Q11 PolarHBondContact O-N 2.85Å; Q7-L63 HydrophobicContact CG-CD1 4.37Å
8W74.3Confident73.7Confident14 Ų1459.2 Ų59.25%0.05331%0.307CS..Hα-helixtrans-62-36.4174.5-80.1116.7000112.8N4 L5 N10 G12 T21 W22 L25 L63 P286 A287N4-W8 PolarHBondContact O-N 2.97Å; L5-W8 PolarHBondContact O-N 3.44Å; W8-N10 VanDerWaalsContact C-N 3.34Å; W8-G12 WeakPolarHBondContact O-CA 3.33Å; W8-G12 PolarHBondContact O-N 3.4Å; W8-T21 HydrophobicContact CH2-CG2 4.36Å; W8-T21 HydrophobicContact CZ3-CG2 4.07Å; W8-W22 HydrophobicContact CH2-CH2 4.45Å; W8-W22 AromaticContact CH2-CZ2 3.99Å; W8-W22 HydrophobicContact CH2-CZ2 3.99Å; W8-L25 HydrophobicContact CH2-CD1 3.45Å; W8-L25 VanDerWaalsContact CH2-CD1 3.45Å; W8-L25 HydrophobicContact CZ2-CD1 4.02Å; W8-L25 HydrophobicContact CZ3-CD1 4.42Å; W8-L63 HydrophobicContact CZ2-CB 4.38Å; W8-L63 HydrophobicContact CZ2-CD1 4.41Å; W8-L63 HydrophobicContact CZ2-CD2 4.37Å; W8-P286 HydrophobicContact CD2-CB 3.68Å; W8-P286 HydrophobicContact CD2-CG 3.97Å; W8-P286 HydrophobicContact CE3-CB 3.85Å; W8-P286 HydrophobicContact CE3-CG 3.6Å; W8-P286 HydrophobicContact CG-CB 4.06Å; W8-P286 HydrophobicContact CH2-CB 4.41Å; W8-P286 HydrophobicContact CH2-CG 3.9Å; W8-P286 HydrophobicContact CZ2-CB 4.3Å; W8-P286 HydrophobicContact CZ2-CG 4.27Å; W8-P286 HydrophobicContact CZ3-CB 4.23Å; W8-P286 HydrophobicContact CZ3-CG 3.57Å; W8-A287 HydrophobicContact CB-CB 3.72Å
9K74.5Confident74.5Confident80 Ų8058.2 Ų58.235%0.34830%0.302SS..Hα-helixtrans-61.4-42.3173.7-173.3-168.8-175.9-175.50111.7L5 L6 Q7 C207 I309L5-K9 WeakPolarHBondContact O-CB 3.28Å; L5-K9 PolarHBondContact O-N 3.13Å; L6-K9 HydrophobicContact CD2-CD 4.3Å; L6-K9 WeakPolarHBondContact O-CB 3.4Å; L6-K9 PolarHBondContact O-N 3.3Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.16Å; K9-C207 PolarHBondContact NZ-O 3Å; K9-C207 VanDerWaalsContact NZ-O 3.1Å; K9-I309 HydrophobicContact CD-CD1 3.79Å
10N70.2Confident75.2Confident116 Ų11665 Ų6562%0.6232%0.323SS*.Hα-helixtrans-74-39.9-178.7-70-14.4000112.4L6 Q7 W8L6-N10 VanDerWaalsContact O-CG 3.27Å; L6-N10 PolarHBondContact O-N 3.37Å; L6-N10 PolarHBondContact O-ND2 3.3Å; Q7-N10 PolarHBondContact O-N 2.97Å; Q7-N10 VanDerWaalsContact O-N 3.16Å; W8-N10 VanDerWaalsContact C-N 3.34Å
11Q64.9Low75.8Confident48 Ų4862.8 Ų62.822%0.22431%0.314CS..Hα-helixtrans-82.3-15-178.1-66.6177.8-14.200113.6Q7 S17Q7-Q11 WeakPolarHBondContact O-CG 3.45Å; Q7-Q11 PolarHBondContact O-N 2.85Å; Q11-S17 PolarHBondContact O-OG 3.14Å
12G61Low77.3Confident6 Ų655.5 Ų55.56%0.06228%0.277CS..  trans-101.98.9-163.600000118.2W8 S14 R18W8-G12 WeakPolarHBondContact O-CA 3.33Å; W8-G12 PolarHBondContact O-N 3.4Å; G12-S14 PolarHBondContact O-N 3.11Å; G12-R18 PolarHBondContact O-NH1 3.44Å
13Q71.2Confident78.6Confident171 Ų17158.3 Ų58.380%0.79930%0.295SS*.SBendtrans-66.3-35.3-168.8-65.3-164.2-3.500114.6
14S86.2Confident79.8Confident62 Ų6259.3 Ų59.343%0.43430%0.3SS..SBendtrans-118153.8178.975.90000112.3G12 L16 S17 R18G12-S14 PolarHBondContact O-N 3.11Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 3.05Å; S14-S17 PolarHBondContact O-N 3.47Å; S14-S17 VanDerWaalsContact OG-CB 3.27Å; S14-S17 WeakPolarHBondContact OG-CB 3.3Å; S14-S17 PolarHBondContact OG-N 3.04Å; S14-R18 WeakPolarHBondContact O-CG 3.17Å; S14-R18 PolarHBondContact O-N 3.19Å
15F88.3Confident80.5Confident77 Ų7758.8 Ų58.834%0.33830%0.297SS..Hα-helixtrans-58.1-44.8176.9171.6-97.3000112.1S17 R18 L19 V279 S282 L283F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.03Å; F15-R18 PolarHBondContact O-N 2.93Å; F15-L19 HydrophobicContact CE1-CD2 4.22Å; F15-L19 WeakPolarHBondContact O-CB 3.3Å; F15-L19 PolarHBondContact O-N 3.31Å; F15-V279 HydrophobicContact CZ-CG1 4.2Å; F15-S282 VanDerWaalsContact CE2-OG 3.26Å; F15-S282 WeakPolarHBondContact CE2-OG 3.35Å; F15-L283 HydrophobicContact CE2-CD2 4.46Å
16L88Confident81.3Confident128 Ų12860.1 Ų60.167%0.6730%0.304SS*.Hα-helixtrans-65.8-35.9179.9-67.4176.7000112.5S14 L19 R20S14-L16 VanDerWaalsContact C-N 3.34Å; S14-L16 PolarHBondContact O-N 3.05Å; L16-L19 HydrophobicContact CD2-CD2 4.49Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-R20 PolarHBondContact O-N 3.39Å
17S86.8Confident82.2Confident45 Ų4562.1 Ų62.132%0.31531%0.314SS..Hα-helixtrans-61.9-51.1173.2-171.20000110.5Q11 S14 F15 L19 R20 T21Q11-S17 PolarHBondContact O-OG 3.14Å; S14-S17 PolarHBondContact O-N 3.47Å; S14-S17 VanDerWaalsContact OG-CB 3.27Å; S14-S17 WeakPolarHBondContact OG-CB 3.3Å; S14-S17 PolarHBondContact OG-N 3.04Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 3.03Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 3.31Å; S17-R20 PolarHBondContact O-N 3.08Å; S17-T21 PolarHBondContact O-N 3.33Å; S17-T21 PolarHBondContact O-OG1 2.62Å; S17-T21 VanDerWaalsContact O-OG1 3.11Å
18R89.1Confident82.9Confident35 Ų3564.3 Ų64.313%0.13233%0.33CS..Hα-helixtrans-58.4-40.8176.6-68.4-170.3-58.9-102.18.9112.3G12 S14 F15 T21 W22 S282 L283G12-R18 PolarHBondContact O-NH1 3.44Å; S14-R18 WeakPolarHBondContact O-CG 3.17Å; S14-R18 PolarHBondContact O-N 3.19Å; F15-R18 PolarHBondContact O-N 2.93Å; R18-T21 PolarHBondContact O-N 2.9Å; R18-W22 WeakPolarHBondContact O-CB 3.48Å; R18-W22 VanDerWaalsContact O-CD1 3.24Å; R18-W22 PolarHBondContact O-N 3.43Å; R18-S282 PolarHBondContact NE-O 3.09Å; R18-S282 PolarHBondContact NH2-O 3.39Å; R18-L283 PolarHBondContact NH2-O 3.38Å
19L89.8Confident83.4Confident40 Ų4066.3 Ų66.321%0.20935%0.347CS..Hα-helixtrans-62.2-47.3178.2-177.768000110.8F15 L16 S17 T21 W22 V23 P278 V279F15-L19 HydrophobicContact CE1-CD2 4.22Å; F15-L19 WeakPolarHBondContact O-CB 3.3Å; F15-L19 PolarHBondContact O-N 3.31Å; L16-L19 HydrophobicContact CD2-CD2 4.49Å; L16-L19 PolarHBondContact O-N 3.25Å; S17-L19 VanDerWaalsContact C-N 3.28Å; S17-L19 PolarHBondContact O-N 3.31Å; L19-T21 PolarHBondContact O-N 3.22Å; L19-W22 PolarHBondContact O-N 3.3Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.34Å; L19-V23 PolarHBondContact O-N 2.99Å; L19-P278 HydrophobicContact CD1-CB 3.86Å; L19-P278 HydrophobicContact CD1-CG 4.46Å; L19-V279 HydrophobicContact CD1-CG2 3.91Å
20R89.2Confident83.9Confident193 Ų19363.8 Ų63.873%0.72834%0.337SS*.Hα-helixtrans-59.6-46.1176.7-175.7178.6177180-2.8111.3L16 S17 W22 V23 C24L16-R20 PolarHBondContact O-N 3.39Å; S17-R20 PolarHBondContact O-N 3.08Å; R20-W22 PolarHBondContact O-N 2.94Å; R20-V23 PolarHBondContact O-N 3.42Å; R20-C24 PolarHBondContact O-N 3.27Å; R20-C24 PolarHBondContact O-SG 3.16Å
21T87.5Confident84.5Confident19 Ų1959.8 Ų59.812%0.11732%0.315CS..Hα-helixtrans-58.1-48.8175.8-54.30000111.1W8 S17 R18 L19 V23 C24 L25W8-T21 HydrophobicContact CH2-CG2 4.36Å; W8-T21 HydrophobicContact CZ3-CG2 4.07Å; S17-T21 PolarHBondContact O-N 3.33Å; S17-T21 PolarHBondContact O-OG1 2.62Å; S17-T21 VanDerWaalsContact O-OG1 3.11Å; R18-T21 PolarHBondContact O-N 2.9Å; L19-T21 PolarHBondContact O-N 3.22Å; T21-V23 VanDerWaalsContact C-N 3.34Å; T21-V23 PolarHBondContact O-N 3.39Å; T21-C24 WeakPolarHBondContact O-CB 3.38Å; T21-C24 PolarHBondContact O-N 2.87Å; T21-C24 VanDerWaalsContact O-N 3.14Å; T21-L25 HydrophobicContact CG2-CD1 3.84Å; T21-L25 HydrophobicContact CG2-CG 4.21Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 3.47Å
22W89.8Confident85.5Confident9 Ų965 Ų653%0.03434%0.344CS..Hα-helixtrans-64.6-35.1179.3-83.9115.8000113.7W8 R18 L19 R20 C24 L25 L26 P80 P278 F281 P286 L314W8-W22 HydrophobicContact CH2-CH2 4.45Å; W8-W22 AromaticContact CH2-CZ2 3.99Å; W8-W22 HydrophobicContact CH2-CZ2 3.99Å; R18-W22 WeakPolarHBondContact O-CB 3.48Å; R18-W22 VanDerWaalsContact O-CD1 3.24Å; R18-W22 PolarHBondContact O-N 3.43Å; L19-W22 PolarHBondContact O-N 3.3Å; R20-W22 PolarHBondContact O-N 2.94Å; W22-C24 VanDerWaalsContact C-N 3.29Å; W22-C24 PolarHBondContact O-N 3.06Å; W22-L25 HydrophobicContact CD2-CD1 4.43Å; W22-L25 HydrophobicContact CE3-CB 4Å; W22-L25 HydrophobicContact CE3-CD1 4.07Å; W22-L25 HydrophobicContact CZ3-CB 4.31Å; W22-L25 HydrophobicContact CZ3-CD1 4.18Å; W22-L25 PolarHBondContact O-N 2.96Å; W22-L26 HydrophobicContact CB-CD1 4.47Å; W22-L26 HydrophobicContact CE3-CG 4.29Å; W22-L26 VanDerWaalsContact O-CB 3.26Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.44Å; W22-L26 WeakPolarHBondContact O-CG 3.3Å; W22-L26 PolarHBondContact O-N 2.93Å; W22-P80 HydrophobicContact CZ3-CB 4.02Å; W22-P80 HydrophobicContact CZ3-CG 4.36Å; W22-P278 HydrophobicContact CB-CB 4.26Å; W22-F281 HydrophobicContact CD2-CB 3.62Å; W22-F281 AromaticContact CD2-CD2 3.99Å; W22-F281 HydrophobicContact CD2-CD2 3.99Å; W22-F281 HydrophobicContact CD2-CG 4.34Å; W22-F281 HydrophobicContact CE3-CB 4.2Å; W22-F281 AromaticContact CE3-CD2 3.65Å; W22-F281 HydrophobicContact CE3-CD2 3.65Å; W22-F281 HydrophobicContact CE3-CG 4.44Å; W22-F281 HydrophobicContact CG-CB 3.79Å; W22-F281 HydrophobicContact CH2-CD2 4.07Å; W22-F281 HydrophobicContact CZ2-CB 4.14Å; W22-F281 HydrophobicContact CZ2-CD2 4.37Å; W22-F281 AromaticContact CZ3-CD2 3.69Å; W22-F281 HydrophobicContact CZ3-CD2 3.69Å; W22-F281 HydrophobicContact CZ3-CE2 4.37Å; W22-F281 PolarHBondContact NE1-O 3.07Å; W22-F281 VanDerWaalsContact NE1-O 3.08Å; W22-P286 HydrophobicContact CZ2-CG 4.01Å; W22-L314 HydrophobicContact CH2-CD1 3.3Å; W22-L314 HydrophobicContact CH2-CD2 3.86Å; W22-L314 HydrophobicContact CH2-CG 4.2Å; W22-L314 HydrophobicContact CZ2-CD1 3.37Å; W22-L314 HydrophobicContact CZ3-CD1 4.21Å; W22-L314 HydrophobicContact CZ3-CD2 4.27Å
23V89.8Confident86.6Confident85 Ų8566 Ų6652%0.51535%0.35SS..Hα-helixtrans-60.3-41.5173.4169.20000110.9L19 R20 T21 P278L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.34Å; L19-V23 PolarHBondContact O-N 2.99Å; R20-V23 PolarHBondContact O-N 3.42Å; T21-V23 VanDerWaalsContact C-N 3.34Å; T21-V23 PolarHBondContact O-N 3.39Å; V23-P278 HydrophobicContact CG2-CB 3.88Å; V23-P278 HydrophobicContact CG2-CG 4.25Å
24C88.6Confident87.1Confident56 Ų5660.4 Ų60.438%0.37833%0.329SS..Hα-helixtrans-68.1-42.4174.7-640000112.3R20 T21 W22 L26 D27R20-C24 PolarHBondContact O-N 3.27Å; R20-C24 PolarHBondContact O-SG 3.16Å; T21-C24 WeakPolarHBondContact O-CB 3.38Å; T21-C24 PolarHBondContact O-N 2.87Å; T21-C24 VanDerWaalsContact O-N 3.14Å; W22-C24 VanDerWaalsContact C-N 3.29Å; W22-C24 PolarHBondContact O-N 3.06Å; C24-L26 PolarHBondContact O-N 3.33Å; C24-D27 PolarHBondContact O-N 3.24Å
25L86.9Confident86.9Confident0 Ų061.9 Ų61.90%033%0.333CS..Hα-helixtrans-72-15.4-179.1-65.7177.7000114.2W8 T21 W22 N60 L63 P81W8-L25 HydrophobicContact CH2-CD1 3.45Å; W8-L25 VanDerWaalsContact CH2-CD1 3.45Å; W8-L25 HydrophobicContact CZ2-CD1 4.02Å; W8-L25 HydrophobicContact CZ3-CD1 4.42Å; T21-L25 HydrophobicContact CG2-CD1 3.84Å; T21-L25 HydrophobicContact CG2-CG 4.21Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 3.47Å; W22-L25 HydrophobicContact CD2-CD1 4.43Å; W22-L25 HydrophobicContact CE3-CB 4Å; W22-L25 HydrophobicContact CE3-CD1 4.07Å; W22-L25 HydrophobicContact CZ3-CB 4.31Å; W22-L25 HydrophobicContact CZ3-CD1 4.18Å; W22-L25 PolarHBondContact O-N 2.96Å; L25-N60 HydrophobicContact CD2-CB 4.06Å; L25-N60 VanDerWaalsContact CD2-O 3.24Å; L25-N60 WeakPolarHBondContact CD2-O 3.26Å; L25-L63 HydrophobicContact CD1-CB 4.38Å; L25-L63 HydrophobicContact CD2-CB 3.85Å; L25-P81 VanDerWaalsContact O-CG 3.29Å; L25-P81 WeakPolarHBondContact O-CG 3.3Å
26L88.8Confident86.4Confident28 Ų2861.7 Ų61.715%0.14735%0.345CS..THydrogen-bonded Turntrans-974.7179-69.8168.2000112.8W22 C24 P28 P80 I277 P278 F281W22-L26 HydrophobicContact CB-CD1 4.47Å; W22-L26 HydrophobicContact CE3-CG 4.29Å; W22-L26 VanDerWaalsContact O-CB 3.26Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.44Å; W22-L26 WeakPolarHBondContact O-CG 3.3Å; W22-L26 PolarHBondContact O-N 2.93Å; C24-L26 PolarHBondContact O-N 3.33Å; L26-P28 WeakPolarHBondContact O-CD 3.24Å; L26-P80 HydrophobicContact CD2-CB 4.05Å; L26-P80 VanDerWaalsContact CD2-O 3.23Å; L26-P80 WeakPolarHBondContact CD2-O 3.45Å; L26-I277 HydrophobicContact CD1-CG2 3.64Å; L26-I277 HydrophobicContact CD2-CG2 4.08Å; L26-P278 HydrophobicContact CD1-CB 3.81Å; L26-P278 HydrophobicContact CD1-CG 4.4Å; L26-F281 HydrophobicContact CD1-CD2 4.47Å; L26-F281 HydrophobicContact CD2-CD2 4.26Å; L26-F281 HydrophobicContact CD2-CE2 3.94Å
27D89.1Confident86.1Confident72 Ų7260.3 Ų60.339%0.38534%0.335SS..  trans-61.2116177.3-178.1-0.3000110.6C24 S29 L30 P81C24-D27 PolarHBondContact O-N 3.24Å; D27-S29 PolarHBondContact O-N 3.14Å; D27-S29 VanDerWaalsContact O-N 3.07Å; D27-S29 WeakPolarHBondContact OD1-CB 3.35Å; D27-S29 PolarHBondContact OD1-N 2.95Å; D27-S29 PolarHBondContact OD1-OG 3.35Å; D27-S29 PolarHBondContact OD2-OG 3.11Å; D27-L30 HydrophobicContact CB-CD1 4.27Å; D27-L30 HydrophobicContact CB-CG 4.27Å; D27-L30 WeakPolarHBondContact O-CB 3.43Å; D27-L30 WeakPolarHBondContact O-CG 3.4Å; D27-L30 PolarHBondContact O-N 3.38Å; D27-P81 WeakPolarHBondContact O-CB 3.26Å
28P86.6Confident85.8Confident66 Ų6658.2 Ų58.243%0.42932%0.32SS..G310 helixtrans-58.4-22.2179-23.534.6000113.8L26 L30 L31 P85L26-P28 WeakPolarHBondContact O-CD 3.24Å; P28-L30 PolarHBondContact O-N 2.86Å; P28-L31 VanDerWaalsContact O-CB 3.31Å; P28-L31 WeakPolarHBondContact O-CB 3.16Å; P28-L31 WeakPolarHBondContact O-CG 3.17Å; P28-L31 PolarHBondContact O-N 2.92Å; P28-L31 VanDerWaalsContact O-N 3.09Å; P28-P85 HydrophobicContact CB-CG 4.48Å; P28-P85 HydrophobicContact CG-CG 4.46Å
29S85.6Confident85.4Confident57 Ų5761 Ų6140%0.39934%0.338SS..G310 helixtrans-58-30.3176.279.90000112.2D27 L31 L32D27-S29 PolarHBondContact O-N 3.14Å; D27-S29 VanDerWaalsContact O-N 3.07Å; D27-S29 WeakPolarHBondContact OD1-CB 3.35Å; D27-S29 PolarHBondContact OD1-N 2.95Å; D27-S29 PolarHBondContact OD1-OG 3.35Å; D27-S29 PolarHBondContact OD2-OG 3.11Å; S29-L31 PolarHBondContact O-N 2.94Å; S29-L31 VanDerWaalsContact O-N 3.16Å; S29-L32 WeakPolarHBondContact O-CB 3.43Å; S29-L32 PolarHBondContact O-N 3.06Å; S29-L32 VanDerWaalsContact O-N 3.07Å
30L84Confident85Confident27 Ų2766 Ų6614%0.14136%0.358CS..G310 helixtrans-63.5-21.8179.1-62.9173.3000112.8D27 P28 L32 S33 L61 P81D27-L30 HydrophobicContact CB-CD1 4.27Å; D27-L30 HydrophobicContact CB-CG 4.27Å; D27-L30 WeakPolarHBondContact O-CB 3.43Å; D27-L30 WeakPolarHBondContact O-CG 3.4Å; D27-L30 PolarHBondContact O-N 3.38Å; P28-L30 PolarHBondContact O-N 2.86Å; L30-L32 PolarHBondContact O-N 3.48Å; L30-S33 WeakPolarHBondContact O-CB 3.44Å; L30-S33 PolarHBondContact O-N 3.31Å; L30-S33 PolarHBondContact O-OG 3.5Å; L30-S33 VanDerWaalsContact O-OG 3.08Å; L30-L61 HydrophobicContact CD2-CD1 4.29Å; L30-P81 HydrophobicContact CB-CG 4.04Å; L30-P81 HydrophobicContact CD1-CG 4.31Å
31L84.4Confident84.5Confident31 Ų3157.1 Ų57.116%0.16233%0.325CS..G310 helixtrans-67.5-21175.7-62.9175.3000113.6P28 S29 S33 R79 P81 A82P28-L31 VanDerWaalsContact O-CB 3.31Å; P28-L31 WeakPolarHBondContact O-CB 3.16Å; P28-L31 WeakPolarHBondContact O-CG 3.17Å; P28-L31 PolarHBondContact O-N 2.92Å; P28-L31 VanDerWaalsContact O-N 3.09Å; S29-L31 PolarHBondContact O-N 2.94Å; S29-L31 VanDerWaalsContact O-N 3.16Å; L31-S33 PolarHBondContact O-N 3Å; L31-R79 HydrophobicContact CD2-CB 4.02Å; L31-P81 HydrophobicContact CD1-CB 4.44Å; L31-P81 HydrophobicContact CD2-CB 3.86Å; L31-P81 HydrophobicContact CD2-CG 4.43Å; L31-P81 HydrophobicContact CG-CB 3.86Å; L31-A82 HydrophobicContact CD1-CB 3.93Å; L31-A82 HydrophobicContact CD2-CB 3.83Å
32L84.9Confident84Confident158 Ų15858.7 Ų58.783%0.82733%0.331SS*.G310 helixtrans-74.1-14.9179.1-60175.4000112.4S29 L30S29-L32 WeakPolarHBondContact O-CB 3.43Å; S29-L32 PolarHBondContact O-N 3.06Å; S29-L32 VanDerWaalsContact O-N 3.07Å; L30-L32 PolarHBondContact O-N 3.48Å
33S83.1Confident83.3Confident27 Ų2761.7 Ų61.719%0.18935%0.354CS..SBendtrans-72.7137-178.2-45.20000111.8L30 L31 E37 L61L30-S33 WeakPolarHBondContact O-CB 3.44Å; L30-S33 PolarHBondContact O-N 3.31Å; L30-S33 PolarHBondContact O-OG 3.5Å; L30-S33 VanDerWaalsContact O-OG 3.08Å; L31-S33 PolarHBondContact O-N 3Å; S33-E37 WeakPolarHBondContact CA-OE2 3.29Å; S33-L61 WeakPolarHBondContact OG-CD1 3.08Å
34S82.5Confident82.6Confident53 Ų5361 Ų6137%0.37135%0.347SS..  trans-74.1156.8179.969.90000112.2A36 E37 I38S34-A36 PolarHBondContact O-N 3.12Å; S34-E37 PolarHBondContact N-OE2 3.2Å; S34-E37 PolarHBondContact O-N 2.89Å; S34-E37 VanDerWaalsContact O-N 3.15Å; S34-E37 VanDerWaalsContact OG-CD 3.25Å; S34-E37 VanDerWaalsContact OG-CG 3.28Å; S34-E37 WeakPolarHBondContact OG-CG 3.46Å; S34-E37 PolarHBondContact OG-N 3.49Å; S34-E37 PolarHBondContact OG-OE2 3.45Å; S34-I38 WeakPolarHBondContact O-CG1 3.25Å; S34-I38 PolarHBondContact O-N 2.98Å; S34-I38 VanDerWaalsContact O-N 3.12Å
35N81.6Confident81.6Confident94 Ų9459.4 Ų59.450%0.50333%0.334SS..Hα-helixtrans-59.6-31.8176.3-66-10.7000112.3I38 L39 V73 R79N35-I38 PolarHBondContact O-N 3.18Å; N35-L39 WeakPolarHBondContact O-CG 3.31Å; N35-L39 PolarHBondContact O-N 3.42Å; N35-L39 VanDerWaalsContact O-N 3.08Å; N35-V73 HydrophobicContact CB-CG1 4.49Å; N35-R79 PolarHBondContact OD1-NH2 3.06Å
36A78.9Confident80.4Confident72 Ų7262.6 Ų62.660%0.59537%0.367SS*.Hα-helixtrans-68.1-40.3177.400000112S34 L39 K40S34-A36 PolarHBondContact O-N 3.12Å; A36-L39 PolarHBondContact O-N 3.31Å; A36-K40 WeakPolarHBondContact O-CB 3.38Å; A36-K40 PolarHBondContact O-N 3.1Å
37E80.9Confident78.9Confident99 Ų9965.4 Ų65.446%0.46339%0.389SS..Hα-helixtrans-65.6-39.9175.7-72.5161.4164.100111.6S33 S34 K40 A41 L61S33-E37 WeakPolarHBondContact CA-OE2 3.29Å; S34-E37 PolarHBondContact N-OE2 3.2Å; S34-E37 PolarHBondContact O-N 2.89Å; S34-E37 VanDerWaalsContact O-N 3.15Å; S34-E37 VanDerWaalsContact OG-CD 3.25Å; S34-E37 VanDerWaalsContact OG-CG 3.28Å; S34-E37 WeakPolarHBondContact OG-CG 3.46Å; S34-E37 PolarHBondContact OG-N 3.49Å; S34-E37 PolarHBondContact OG-OE2 3.45Å; E37-K40 PolarHBondContact O-N 3.29Å; E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.25Å; E37-A41 PolarHBondContact O-N 3.31Å; E37-L61 HydrophobicContact CB-CD2 4.33Å
38I81.3Confident77.1Confident1 Ų164.5 Ų64.51%0.00539%0.386CS..Hα-helixtrans-64.8-43.7177.6-64158.6000111S34 N35 A41 H42 L61 V73 R79S34-I38 WeakPolarHBondContact O-CG1 3.25Å; S34-I38 PolarHBondContact O-N 2.98Å; S34-I38 VanDerWaalsContact O-N 3.12Å; N35-I38 PolarHBondContact O-N 3.18Å; I38-A41 PolarHBondContact O-N 2.91Å; I38-H42 WeakPolarHBondContact O-CB 3.09Å; I38-H42 PolarHBondContact O-N 2.92Å; I38-L61 HydrophobicContact CG1-CD1 3.98Å; I38-L61 HydrophobicContact CG1-CD2 4.34Å; I38-L61 HydrophobicContact CG1-CG 4.05Å; I38-V73 HydrophobicContact CB-CG2 4.28Å; I38-V73 HydrophobicContact CD1-CG1 4.03Å; I38-V73 HydrophobicContact CG2-CG1 4.36Å; I38-V73 HydrophobicContact CG2-CG2 3.91Å; I38-R79 VanDerWaalsContact CD1-CZ 3.45Å; I38-R79 VanDerWaalsContact CD1-NH1 3.32Å
39L80.3Confident75.5Confident95 Ų9571.2 Ų71.250%0.49741%0.412SS..Hα-helixtrans-65.3-40.2177.1-73.2172.2000111.9N35 A36 A41 H42 S43 V73N35-L39 WeakPolarHBondContact O-CG 3.31Å; N35-L39 PolarHBondContact O-N 3.42Å; N35-L39 VanDerWaalsContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 3.31Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-H42 PolarHBondContact O-N 3.48Å; L39-S43 PolarHBondContact O-N 2.87Å; L39-V73 HydrophobicContact CD2-CG2 3.83Å; L39-V73 HydrophobicContact CG-CG2 3.83Å
40K80.9Confident73.7Confident145 Ų14577.3 Ų77.363%0.6343%0.431SS*.Hα-helixtrans-61.5-45.6174.2-172.4-179.7179.8-175.90110.7A36 E37 H42 S43 L44A36-K40 WeakPolarHBondContact O-CB 3.38Å; A36-K40 PolarHBondContact O-N 3.1Å; E37-K40 PolarHBondContact O-N 3.29Å; K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 2.84Å; K40-S43 PolarHBondContact O-N 3.33Å; K40-S43 PolarHBondContact O-OG 3.38Å; K40-L44 WeakPolarHBondContact O-CG 3.41Å; K40-L44 PolarHBondContact O-N 2.98Å
41A79Confident72.3Confident5 Ų580.3 Ų80.34%0.04145%0.447CS..Hα-helixtrans-60.4-42.7176.200000112.3E37 I38 L39 S43 L44 I45 A58 L61E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.25Å; E37-A41 PolarHBondContact O-N 3.31Å; I38-A41 PolarHBondContact O-N 2.91Å; L39-A41 VanDerWaalsContact C-N 3.35Å; A41-S43 PolarHBondContact O-N 3.48Å; A41-L44 PolarHBondContact O-N 3.47Å; A41-I45 PolarHBondContact O-N 3.26Å; A41-A58 HydrophobicContact CB-CB 4.2Å; A41-A58 WeakPolarHBondContact CB-O 3.33Å; A41-L61 HydrophobicContact CB-CB 4.38Å; A41-L61 HydrophobicContact CB-CD2 4.14Å; A41-L61 HydrophobicContact CB-CG 4.39Å
42H76Confident70.9Confident52 Ų5284.7 Ų84.724%0.24147%0.471CS..Hα-helixtrans-63.1-40.1175.3-172.5-81.4000112.4I38 L39 K40 L44 I45 S62I38-H42 WeakPolarHBondContact O-CB 3.09Å; I38-H42 PolarHBondContact O-N 2.92Å; L39-H42 PolarHBondContact O-N 3.48Å; K40-H42 VanDerWaalsContact C-N 3.35Å; K40-H42 PolarHBondContact O-N 2.84Å; H42-L44 VanDerWaalsContact C-N 3.29Å; H42-L44 PolarHBondContact O-N 3.06Å; H42-I45 PolarHBondContact O-N 3.43Å; H42-S62 WeakPolarHBondContact CA-OG 3.33Å; H42-S62 PolarHBondContact CD2-OG 3.44Å
43S76.1Confident69.5Low73 Ų7385.5 Ų85.551%0.5147%0.47SS..Hα-helixtrans-64.5-30.9177.366.40000113.7L39 K40 A41 I45 G46L39-S43 PolarHBondContact O-N 2.87Å; K40-S43 PolarHBondContact O-N 3.33Å; K40-S43 PolarHBondContact O-OG 3.38Å; A41-S43 PolarHBondContact O-N 3.48Å; S43-I45 VanDerWaalsContact C-N 3.33Å; S43-I45 PolarHBondContact O-N 3.11Å; S43-G46 PolarHBondContact O-N 3.45Å
44L74.9Confident68.2Low71 Ų7192.9 Ų92.937%0.37250%0.499SS..Hα-helixtrans-71.6-26.6179.2-70.5167.6000112.9K40 A41 H42 S47 T48 A58K40-L44 WeakPolarHBondContact O-CG 3.41Å; K40-L44 PolarHBondContact O-N 2.98Å; A41-L44 PolarHBondContact O-N 3.47Å; H42-L44 VanDerWaalsContact C-N 3.29Å; H42-L44 PolarHBondContact O-N 3.06Å; L44-S47 PolarHBondContact O-N 3.49Å; L44-S47 PolarHBondContact O-OG 3.37Å; L44-T48 PolarHBondContact O-OG1 2.91Å; L44-A58 HydrophobicContact CD1-CB 4.49Å
45I68.6Low67.5Low22 Ų2292.3 Ų92.311%0.11349%0.491CS..Hα-helixtrans-71.7-35.4176.9-65.8170.3000111A3 A41 H42 S43 S47 V59 S62A3-I45 HydrophobicContact CB-CG2 4.29Å; A41-I45 PolarHBondContact O-N 3.26Å; H42-I45 PolarHBondContact O-N 3.43Å; S43-I45 VanDerWaalsContact C-N 3.33Å; S43-I45 PolarHBondContact O-N 3.11Å; I45-S47 PolarHBondContact O-N 3.15Å; I45-V59 HydrophobicContact CD1-CG2 4.16Å; I45-V59 HydrophobicContact CG1-CG2 3.86Å; I45-S62 WeakPolarHBondContact CD1-OG 3.23Å
46G61.1Low67.1Low67 Ų6792.7 Ų92.769%0.69149%0.49SS*.THydrogen-bonded Turntrans-70.4-16.1178.500000114.3S43S43-G46 PolarHBondContact O-N 3.45Å
47S56.9Low67Low87 Ų8792.4 Ų92.461%0.60849%0.488SS*.THydrogen-bonded Turntrans-106.6-11.3-17058.40000116L44 I45L44-S47 PolarHBondContact O-N 3.49Å; L44-S47 PolarHBondContact O-OG 3.37Å; I45-S47 PolarHBondContact O-N 3.15Å
48T51Low66.6Low53 Ų5388.6 Ų88.633%0.32547%0.473SS..  trans-123.1113.7-159.9-37.40000112.7L44 K50L44-T48 PolarHBondContact O-OG1 2.91Å; T48-K50 VanDerWaalsContact C-N 3.33Å; T48-K50 WeakPolarHBondContact CG2-O 3.39Å
49E52.9Low66.4Low206 Ų20688.8 Ų88.896%0.96347%0.474SS*.SBendtrans-79.9-7.6176.4-74.6-174.5154.500113.9
50K48.6Very low66.4Low186 Ų18685.4 Ų85.481%0.80946%0.457SS*.SBendtrans-142.4115.3176.2-71.3-176.9178.7177.50110.8T48T48-K50 VanDerWaalsContact C-N 3.33Å; T48-K50 WeakPolarHBondContact CG2-O 3.39Å
51L54.6Low66.4Low90 Ų9079.5 Ų79.547%0.47143%0.432SS..  trans-82129.2176.1-9786000111.5D55 V59L51-D55 HydrophobicContact CB-CB 4.13Å; L51-D55 HydrophobicContact CD2-CB 4.11Å; L51-D55 HydrophobicContact CG-CB 3.72Å; L51-V59 HydrophobicContact CD1-CG2 4.5Å; L51-V59 HydrophobicContact CD2-CB 4.26Å; L51-V59 HydrophobicContact CD2-CG2 3.5Å; L51-V59 HydrophobicContact CG-CG2 4.26Å
52D55.7Low66.5Low123 Ų12379.2 Ų79.266%0.65843%0.43SS*.  trans-90.6169.8164.6-135.213.6000110.9K54 D55 E56D52-K54 VanDerWaalsContact C-N 3.25Å; D52-K54 PolarHBondContact O-N 3.35Å; D52-D55 PolarHBondContact N-OD2 3.01Å; D52-D55 WeakPolarHBondContact O-CA 3.36Å; D52-D55 VanDerWaalsContact O-CB 3.3Å; D52-D55 WeakPolarHBondContact O-CB 3.18Å; D52-D55 PolarHBondContact O-N 3.2Å; D52-E56 PolarHBondContact O-N 2.66Å
53E54.7Low66.6Low174 Ų17477.6 Ų77.681%0.81342%0.423SS*.Hα-helixtrans-59-32.2179.6-79.3-174.6161.800113.6D55 E56E53-D55 PolarHBondContact O-N 2.97Å; E53-E56 WeakPolarHBondContact O-CB 3.22Å; E53-E56 PolarHBondContact O-N 2.93Å
54K55Low66.8Low182 Ų18274.1 Ų74.179%0.79140%0.398SS*.Hα-helixtrans-69.1-23.7174.4-77.3-178.7178.7173.90112.8D52D52-K54 VanDerWaalsContact C-N 3.25Å; D52-K54 PolarHBondContact O-N 3.35Å
55D68.1Low67Low41 Ų4170.7 Ų70.722%0.21938%0.381CS..Hα-helixtrans-78.6-26.2177.7-57.3-35.6000110.9L51 D52 E53 A57 A58 V59L51-D55 HydrophobicContact CB-CB 4.13Å; L51-D55 HydrophobicContact CD2-CB 4.11Å; L51-D55 HydrophobicContact CG-CB 3.72Å; D52-D55 PolarHBondContact N-OD2 3.01Å; D52-D55 WeakPolarHBondContact O-CA 3.36Å; D52-D55 VanDerWaalsContact O-CB 3.3Å; D52-D55 WeakPolarHBondContact O-CB 3.18Å; D52-D55 PolarHBondContact O-N 3.2Å; E53-D55 PolarHBondContact O-N 2.97Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-A57 PolarHBondContact O-N 2.95Å; D55-A58 PolarHBondContact O-N 3.14Å; D55-V59 VanDerWaalsContact O-CB 3.32Å; D55-V59 WeakPolarHBondContact O-CB 3.3Å; D55-V59 WeakPolarHBondContact O-CG2 3.01Å; D55-V59 PolarHBondContact O-N 3.36Å
56E72.6Confident67.4Low103 Ų10370 Ų7048%0.48138%0.377SS..Hα-helixtrans-61.7-40.3178-167.1177.8177.900112.2D52 E53 V59 N60D52-E56 PolarHBondContact O-N 2.66Å; E53-E56 WeakPolarHBondContact O-CB 3.22Å; E53-E56 PolarHBondContact O-N 2.93Å; E56-V59 PolarHBondContact O-N 3.03Å; E56-N60 WeakPolarHBondContact O-CB 3.19Å; E56-N60 PolarHBondContact O-N 2.96Å; E56-N60 PolarHBondContact O-ND2 3.49Å
57A76.9Confident68.2Low65 Ų6567.6 Ų67.654%0.53735%0.348SS..Hα-helixtrans-66.2-41.7175.800000112.3D55 V59 N60 L61D55-A57 VanDerWaalsContact C-N 3.35Å; D55-A57 PolarHBondContact O-N 2.95Å; A57-V59 VanDerWaalsContact C-N 3.33Å; A57-N60 PolarHBondContact O-N 3.42Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 PolarHBondContact O-N 2.83Å
58A74Confident68.9Low20 Ų2065 Ų6517%0.16533%0.329CS..Hα-helixtrans-65.3-40175.900000111.3A41 L44 D55 L61 S62A41-A58 HydrophobicContact CB-CB 4.2Å; A41-A58 WeakPolarHBondContact CB-O 3.33Å; L44-A58 HydrophobicContact CD1-CB 4.49Å; D55-A58 PolarHBondContact O-N 3.14Å; A58-L61 PolarHBondContact O-N 3.2Å; A58-S62 PolarHBondContact O-N 2.93Å
59V77Confident69.9Low4 Ų464.7 Ų64.72%0.02433%0.328CS..Hα-helixtrans-61.6-49.4174.6162.60000111.6I45 L51 D55 E56 A57 L61 S62 L63I45-V59 HydrophobicContact CD1-CG2 4.16Å; I45-V59 HydrophobicContact CG1-CG2 3.86Å; L51-V59 HydrophobicContact CD1-CG2 4.5Å; L51-V59 HydrophobicContact CD2-CB 4.26Å; L51-V59 HydrophobicContact CD2-CG2 3.5Å; L51-V59 HydrophobicContact CG-CG2 4.26Å; D55-V59 VanDerWaalsContact O-CB 3.32Å; D55-V59 WeakPolarHBondContact O-CB 3.3Å; D55-V59 WeakPolarHBondContact O-CG2 3.01Å; D55-V59 PolarHBondContact O-N 3.36Å; E56-V59 PolarHBondContact O-N 3.03Å; A57-V59 VanDerWaalsContact C-N 3.33Å; V59-L61 VanDerWaalsContact C-N 3.27Å; V59-L61 PolarHBondContact O-N 2.95Å; V59-S62 PolarHBondContact O-N 3.14Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 4.3Å; V59-L63 WeakPolarHBondContact O-CB 3.15Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 2.95Å
60N80.8Confident70.8Confident25 Ų2558.7 Ų58.713%0.13431%0.308CS..Hα-helixtrans-60.9-38.8177.6-71.1-23.3000111.5L25 E56 A57 S64L25-N60 HydrophobicContact CD2-CB 4.06Å; L25-N60 VanDerWaalsContact CD2-O 3.24Å; L25-N60 WeakPolarHBondContact CD2-O 3.26Å; E56-N60 WeakPolarHBondContact O-CB 3.19Å; E56-N60 PolarHBondContact O-N 2.96Å; E56-N60 PolarHBondContact O-ND2 3.49Å; A57-N60 PolarHBondContact O-N 3.42Å; N60-S64 WeakPolarHBondContact O-CB 3.43Å; N60-S64 PolarHBondContact O-N 2.92Å; N60-S64 PolarHBondContact O-OG 3.35Å
61L80.4Confident71.9Confident20 Ų2050.5 Ų50.511%0.10528%0.276CS..Hα-helixtrans-65.2-43.4176.6-177.961.2000112.4L30 S33 E37 I38 A41 A57 A58 V59 S64 S65L30-L61 HydrophobicContact CD2-CD1 4.29Å; S33-L61 WeakPolarHBondContact OG-CD1 3.08Å; E37-L61 HydrophobicContact CB-CD2 4.33Å; I38-L61 HydrophobicContact CG1-CD1 3.98Å; I38-L61 HydrophobicContact CG1-CD2 4.34Å; I38-L61 HydrophobicContact CG1-CG 4.05Å; A41-L61 HydrophobicContact CB-CB 4.38Å; A41-L61 HydrophobicContact CB-CD2 4.14Å; A41-L61 HydrophobicContact CB-CG 4.39Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 PolarHBondContact O-N 2.83Å; A58-L61 PolarHBondContact O-N 3.2Å; V59-L61 VanDerWaalsContact C-N 3.27Å; V59-L61 PolarHBondContact O-N 2.95Å; L61-S64 PolarHBondContact O-OG 3.22Å; L61-S64 VanDerWaalsContact O-OG 3.05Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 2.66Å; L61-S65 PolarHBondContact O-OG 3.46Å
62S80.3Confident73Confident0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-65.5-51176.7-175.50000111.4H42 I45 A58 V59 S64 S65 S66H42-S62 WeakPolarHBondContact CA-OG 3.33Å; H42-S62 PolarHBondContact CD2-OG 3.44Å; I45-S62 WeakPolarHBondContact CD1-OG 3.23Å; A58-S62 PolarHBondContact O-N 2.93Å; V59-S62 PolarHBondContact O-N 3.14Å; S62-S64 VanDerWaalsContact C-N 3.26Å; S62-S64 PolarHBondContact O-N 3.4Å; S62-S65 PolarHBondContact O-N 3.48Å; S62-S66 VanDerWaalsContact O-CB 3.28Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.18Å; S62-S66 PolarHBondContact O-OG 2.97Å; S62-S66 PolarHBondContact OG-OG 2.9Å
63L79.1Confident74.3Confident17 Ų1744.4 Ų44.49%0.08925%0.252CS..Hα-helixtrans-64.1-29.6-177.7-68.1179000112.9Q7 W8 L25 V59Q7-L63 HydrophobicContact CG-CD1 4.37Å; W8-L63 HydrophobicContact CZ2-CB 4.38Å; W8-L63 HydrophobicContact CZ2-CD1 4.41Å; W8-L63 HydrophobicContact CZ2-CD2 4.37Å; L25-L63 HydrophobicContact CD1-CB 4.38Å; L25-L63 HydrophobicContact CD2-CB 3.85Å; V59-L63 HydrophobicContact CG1-CD1 3.76Å; V59-L63 HydrophobicContact CG1-CG 4.3Å; V59-L63 WeakPolarHBondContact O-CB 3.15Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 2.95Å
64S79.1Confident75.7Confident0 Ų036.6 Ų36.60%022%0.216CC..Hα-helixtrans-83.8-16.6178.562.20000114.3N60 L61 S62 P80N60-S64 WeakPolarHBondContact O-CB 3.43Å; N60-S64 PolarHBondContact O-N 2.92Å; N60-S64 PolarHBondContact O-OG 3.35Å; L61-S64 PolarHBondContact O-OG 3.22Å; L61-S64 VanDerWaalsContact O-OG 3.05Å; S62-S64 VanDerWaalsContact C-N 3.26Å; S62-S64 PolarHBondContact O-N 3.4Å; S64-P80 VanDerWaalsContact O-CD 3.25Å; S64-P80 WeakPolarHBondContact O-CD 3.31Å
65S78.6Confident77.2Confident0 Ų031 Ų310%020%0.198CC..Hα-helixtrans-133.2-8.1-168.4-59.90000115.2L61 S62 L74L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 2.66Å; L61-S65 PolarHBondContact O-OG 3.46Å; S62-S65 PolarHBondContact O-N 3.48Å; S65-L74 PolarHBondContact O-N 3.41Å
66S78.4Confident78.1Confident6 Ų633 Ų334%0.04221%0.208CC..BIsolated β-bridgetrans-107.9147.117671.40000111.6S62 A72S62-S66 VanDerWaalsContact O-CB 3.28Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.18Å; S62-S66 PolarHBondContact O-OG 2.97Å; S62-S66 PolarHBondContact OG-OG 2.9Å; S66-A72 WeakPolarHBondContact CA-O 3.42Å
67H78.4Confident78.9Confident17 Ų1734.4 Ų34.48%0.07921%0.213CC..  trans-71.5127.1172.9-174.8-71000109.4V69 S70 G71 A72 L74 M121 R123 S125H67-V69 VanDerWaalsContact C-N 3.28Å; H67-V69 PolarHBondContact ND1-N 2.95Å; H67-V69 VanDerWaalsContact ND1-N 3.18Å; H67-V69 PolarHBondContact O-N 2.91Å; H67-V69 VanDerWaalsContact O-N 3.16Å; H67-S70 PolarHBondContact ND1-N 3.11Å; H67-S70 VanDerWaalsContact ND1-N 3.18Å; H67-G71 VanDerWaalsContact O-CA 3.26Å; H67-G71 WeakPolarHBondContact O-CA 3.36Å; H67-G71 PolarHBondContact O-N 3.06Å; H67-A72 PolarHBondContact N-O 2.77Å; H67-L74 HydrophobicContact CB-CD2 4.37Å; H67-M121 PolarHBondContact CD2-O 3.48Å; H67-R123 PolarHBondContact NE2-O 3.22Å; H67-R123 VanDerWaalsContact NE2-O 3.09Å; H67-S125 PolarHBondContact CE1-OG 3.49Å
68P69.7Low79.5Confident33 Ų3333.4 Ų33.421%0.21420%0.197CC..THydrogen-bonded Turntrans-61-34.3-169.318.8-30000113.9N4N4-P68 PolarHBondContact ND2-O 3.3Å
69V72.3Confident80.3Confident47 Ų4732.7 Ų32.729%0.28519%0.19SC..THydrogen-bonded Turntrans-88.2-56.8179.4-173.60000112.6H67 G71 N124 H311H67-V69 VanDerWaalsContact C-N 3.28Å; H67-V69 PolarHBondContact ND1-N 2.95Å; H67-V69 VanDerWaalsContact ND1-N 3.18Å; H67-V69 PolarHBondContact O-N 2.91Å; H67-V69 VanDerWaalsContact O-N 3.16Å; V69-G71 PolarHBondContact O-N 3.28Å; V69-N124 WeakPolarHBondContact CG2-OD1 3.32Å; V69-H311 HydrophobicContact CG2-CB 4.05Å
70S72.2Confident81Confident79 Ų7932.7 Ų32.755%0.55219%0.19SC*.THydrogen-bonded Turntrans-74.2-19.5-177.4-178.70000114.9H67 A72H67-S70 PolarHBondContact ND1-N 3.11Å; H67-S70 VanDerWaalsContact ND1-N 3.18Å; S70-A72 PolarHBondContact O-N 3.29Å
71G71.5Confident81.4Confident14 Ų1431.5 Ų31.514%0.14418%0.184CC..  trans660.9-169.700000114.7H67 V69H67-G71 VanDerWaalsContact O-CA 3.26Å; H67-G71 WeakPolarHBondContact O-CA 3.36Å; H67-G71 PolarHBondContact O-N 3.06Å; V69-G71 PolarHBondContact O-N 3.28Å
72A78.8Confident82Confident47 Ų4730.6 Ų30.639%0.38818%0.179SC..PPolyproline II helixtrans-71144.5-178.900000111.4S66 H67 S70 L74S66-A72 WeakPolarHBondContact CA-O 3.42Å; H67-A72 PolarHBondContact N-O 2.77Å; S70-A72 PolarHBondContact O-N 3.29Å; A72-L74 PolarHBondContact O-N 3.32Å
73V81.7Confident82.6Confident38 Ų3830.7 Ų30.723%0.2318%0.179CC..BIsolated β-bridgetrans-68.4125.2176.9-178.40000109.9N35 I38 L39 R79N35-V73 HydrophobicContact CB-CG1 4.49Å; I38-V73 HydrophobicContact CB-CG2 4.28Å; I38-V73 HydrophobicContact CD1-CG1 4.03Å; I38-V73 HydrophobicContact CG2-CG1 4.36Å; I38-V73 HydrophobicContact CG2-CG2 3.91Å; L39-V73 HydrophobicContact CD2-CG2 3.83Å; L39-V73 HydrophobicContact CG-CG2 3.83Å; V73-R79 VanDerWaalsContact CG1-NH2 3.27Å
74L84.7Confident83.3Confident11 Ų1133.2 Ų33.26%0.05819%0.193CC..PPolyproline II helixtrans-69.4142.5176.2-71.9170.5000110.6S65 H67 A72 R79 M121S65-L74 PolarHBondContact O-N 3.41Å; H67-L74 HydrophobicContact CB-CD2 4.37Å; A72-L74 PolarHBondContact O-N 3.32Å; L74-R79 HydrophobicContact CB-CG 4.01Å; L74-R79 PolarHBondContact O-NE 2.71Å; L74-R79 PolarHBondContact O-NH2 3.5Å; L74-M121 HydrophobicContact CD2-CB 4.36Å
75P86.9Confident84Confident63 Ų6336.2 Ų36.241%0.40921%0.212SC..PPolyproline II helixtrans-57.2142.6172.3-19.429.9000110.6F77 F78 R79P75-F77 VanDerWaalsContact C-N 3.27Å; P75-F77 PolarHBondContact O-N 3Å; P75-F77 VanDerWaalsContact O-N 3.09Å; P75-F78 HydrophobicContact CB-CD2 4.12Å; P75-F78 HydrophobicContact CG-CD2 4.31Å; P75-F78 PolarHBondContact O-N 3.28Å; P75-R79 PolarHBondContact O-N 3.4Å
76L87.4Confident84.8Confident83 Ų8338.2 Ų38.244%0.43522%0.222SC..G310 helixtrans-48.8-45.7-170.8-173.9152.1000113.4F78 R79 A82L76-F78 VanDerWaalsContact C-N 3.25Å; L76-F78 PolarHBondContact O-N 2.91Å; L76-R79 PolarHBondContact O-N 3.35Å; L76-A82 VanDerWaalsContact O-CB 3.27Å; L76-A82 WeakPolarHBondContact O-CB 3.31Å
77F88.4Confident85.5Confident133 Ų13338 Ų3858%0.58322%0.22SC*.G310 helixtrans-69.9-19.1-177.2-56.6-65.1000114.5P75 I86 Y114P75-F77 VanDerWaalsContact C-N 3.27Å; P75-F77 PolarHBondContact O-N 3Å; P75-F77 VanDerWaalsContact O-N 3.09Å; F77-I86 HydrophobicContact CB-CD1 3.75Å; F77-I86 HydrophobicContact CD1-CD1 3.75Å; F77-I86 HydrophobicContact CG-CD1 4.25Å; F77-I86 VanDerWaalsContact O-CD1 3.26Å; F77-I86 WeakPolarHBondContact O-CD1 3.49Å; F77-Y114 VanDerWaalsContact O-CE2 3.3Å; F77-Y114 WeakPolarHBondContact O-CE2 3.35Å; F77-Y114 PolarHBondContact O-OH 2.84Å
78F89.4Confident86.3Confident44 Ų4437.4 Ų37.419%0.19322%0.22CC..G310 helixtrans-107.18.8-179.6-60.9-66.3000112.4P75 L76 Y114 G117 F118 M121 H122P75-F78 HydrophobicContact CB-CD2 4.12Å; P75-F78 HydrophobicContact CG-CD2 4.31Å; P75-F78 PolarHBondContact O-N 3.28Å; L76-F78 VanDerWaalsContact C-N 3.25Å; L76-F78 PolarHBondContact O-N 2.91Å; F78-Y114 HydrophobicContact CD1-CE2 4.23Å; F78-Y114 HydrophobicContact CE1-CD2 4.22Å; F78-Y114 HydrophobicContact CE1-CE2 4.19Å; F78-G117 VanDerWaalsContact CE1-C 3.48Å; F78-F118 HydrophobicContact CD1-CB 4.23Å; F78-F118 HydrophobicContact CD1-CD2 4.46Å; F78-M121 HydrophobicContact CB-CB 4.04Å; F78-M121 HydrophobicContact CB-CG 3.94Å; F78-M121 HydrophobicContact CD1-CG 4.3Å; F78-M121 HydrophobicContact CD2-CE 4.43Å; F78-M121 HydrophobicContact CD2-CG 3.79Å; F78-M121 HydrophobicContact CE2-CE 4.38Å; F78-M121 HydrophobicContact CE2-CG 4.37Å; F78-M121 HydrophobicContact CG-CB 4.31Å; F78-M121 HydrophobicContact CG-CG 3.75Å; F78-H122 PolarHBondContact O-CE1 3.4Å
79R90.9Very high87.5Confident5 Ų539.8 Ų39.82%0.01924%0.235CC..SBendtrans-72.1140.7170.4-61.1-178.6-177170.41.5109.4L31 N35 I38 V73 L74 P75 L76 P81 A82L31-R79 HydrophobicContact CD2-CB 4.02Å; N35-R79 PolarHBondContact OD1-NH2 3.06Å; I38-R79 VanDerWaalsContact CD1-CZ 3.45Å; I38-R79 VanDerWaalsContact CD1-NH1 3.32Å; V73-R79 VanDerWaalsContact CG1-NH2 3.27Å; L74-R79 HydrophobicContact CB-CG 4.01Å; L74-R79 PolarHBondContact O-NE 2.71Å; L74-R79 PolarHBondContact O-NH2 3.5Å; P75-R79 PolarHBondContact O-N 3.4Å; L76-R79 PolarHBondContact O-N 3.35Å; R79-P81 VanDerWaalsContact C-CD 3.45Å; R79-P81 VanDerWaalsContact C-N 3.31Å; R79-A82 WeakPolarHBondContact O-CA 3.16Å; R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.33Å
80P90.9Very high88.6Confident4 Ų438.6 Ų38.63%0.02623%0.227CC..G310 helixtrans-45.2-44.7174.7-23.921.6000114.9W22 L26 S64 A82 Y83 L314W22-P80 HydrophobicContact CZ3-CB 4.02Å; W22-P80 HydrophobicContact CZ3-CG 4.36Å; L26-P80 HydrophobicContact CD2-CB 4.05Å; L26-P80 VanDerWaalsContact CD2-O 3.23Å; L26-P80 WeakPolarHBondContact CD2-O 3.45Å; S64-P80 VanDerWaalsContact O-CD 3.25Å; S64-P80 WeakPolarHBondContact O-CD 3.31Å; P80-A82 PolarHBondContact O-N 3Å; P80-Y83 WeakPolarHBondContact O-CB 3.46Å; P80-Y83 PolarHBondContact O-N 3.25Å; P80-L314 HydrophobicContact CB-CD2 4.17Å; P80-L314 HydrophobicContact CG-CD2 3.83Å
81P91.2Very high89.7Confident1 Ų135 Ų351%0.00620%0.201CC..G310 helixtrans-57.7-28.5174-22.628000115.4L25 D27 L30 L31 R79 Y83 P85L25-P81 VanDerWaalsContact O-CG 3.29Å; L25-P81 WeakPolarHBondContact O-CG 3.3Å; D27-P81 WeakPolarHBondContact O-CB 3.26Å; L30-P81 HydrophobicContact CB-CG 4.04Å; L30-P81 HydrophobicContact CD1-CG 4.31Å; L31-P81 HydrophobicContact CD1-CB 4.44Å; L31-P81 HydrophobicContact CD2-CB 3.86Å; L31-P81 HydrophobicContact CD2-CG 4.43Å; L31-P81 HydrophobicContact CG-CB 3.86Å; R79-P81 VanDerWaalsContact C-CD 3.45Å; R79-P81 VanDerWaalsContact C-N 3.31Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.93Å; P81-P85 VanDerWaalsContact O-CD 3.26Å; P81-P85 WeakPolarHBondContact O-CD 3.24Å
82A92.2Very high90.7Very high1 Ų135.7 Ų35.71%0.00820%0.203CC..G310 helixtrans-79.7-10.5178.400000113L31 L76 R79 P80 L84 P85 I86L31-A82 HydrophobicContact CD1-CB 3.93Å; L31-A82 HydrophobicContact CD2-CB 3.83Å; L76-A82 VanDerWaalsContact O-CB 3.27Å; L76-A82 WeakPolarHBondContact O-CB 3.31Å; R79-A82 WeakPolarHBondContact O-CA 3.16Å; R79-A82 WeakPolarHBondContact O-CB 3.35Å; R79-A82 PolarHBondContact O-N 3.33Å; P80-A82 PolarHBondContact O-N 3Å; A82-L84 PolarHBondContact O-N 3.47Å; A82-P85 WeakPolarHBondContact O-CD 3.26Å; A82-I86 HydrophobicContact CB-CD1 3.79Å; A82-I86 WeakPolarHBondContact O-CB 3.36Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.27Å; A82-I86 PolarHBondContact O-N 3.42Å; A82-I86 VanDerWaalsContact O-N 3.12Å
83Y93.3Very high91.4Very high2 Ų233.9 Ų33.91%0.00819%0.188CC..Hα-helixtrans-61-49.7-175-166.8-105.1000112.1P80 P81 S87 Y114 N115 F118 R230 L233 F234 I277 F281P80-Y83 WeakPolarHBondContact O-CB 3.46Å; P80-Y83 PolarHBondContact O-N 3.25Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.93Å; Y83-S87 WeakPolarHBondContact O-CA 3.3Å; Y83-S87 WeakPolarHBondContact O-CB 3.31Å; Y83-S87 PolarHBondContact O-N 3.33Å; Y83-S87 PolarHBondContact O-OG 3.4Å; Y83-Y114 WeakPolarHBondContact CA-OH 3.46Å; Y83-Y114 AromaticContact CD2-CE1 3.64Å; Y83-Y114 HydrophobicContact CD2-CE1 3.64Å; Y83-Y114 HydrophobicContact CE2-CD1 4.48Å; Y83-Y114 AromaticContact CE2-CE1 3.79Å; Y83-Y114 HydrophobicContact CE2-CE1 3.79Å; Y83-N115 PolarHBondContact OH-OD1 2.98Å; Y83-N115 VanDerWaalsContact OH-OD1 3.13Å; Y83-F118 HydrophobicContact CD2-CD1 4.16Å; Y83-F118 AromaticContact CD2-CD2 3.49Å; Y83-F118 HydrophobicContact CD2-CD2 3.49Å; Y83-F118 VanDerWaalsContact CD2-CD2 3.49Å; Y83-F118 HydrophobicContact CD2-CE1 4.11Å; Y83-F118 AromaticContact CD2-CE2 3.41Å; Y83-F118 HydrophobicContact CD2-CE2 3.41Å; Y83-F118 VanDerWaalsContact CD2-CE2 3.41Å; Y83-F118 AromaticContact CD2-CG 3.86Å; Y83-F118 HydrophobicContact CD2-CG 3.86Å; Y83-F118 AromaticContact CD2-CZ 3.72Å; Y83-F118 HydrophobicContact CD2-CZ 3.72Å; Y83-F118 HydrophobicContact CE2-CB 4.44Å; Y83-F118 AromaticContact CE2-CD1 3.99Å; Y83-F118 HydrophobicContact CE2-CD1 3.99Å; Y83-F118 HydrophobicContact CE2-CD2 4Å; Y83-F118 HydrophobicContact CE2-CE1 4.23Å; Y83-F118 HydrophobicContact CE2-CE2 4.21Å; Y83-F118 AromaticContact CE2-CG 3.87Å; Y83-F118 HydrophobicContact CE2-CG 3.87Å; Y83-F118 HydrophobicContact CE2-CZ 4.31Å; Y83-F118 HydrophobicContact CG-CE2 4.1Å; Y83-F118 HydrophobicContact CG-CZ 4.26Å; Y83-R230 PolarHBondContact OH-NH1 3.34Å; Y83-L233 HydrophobicContact CE1-CD2 3.99Å; Y83-F234 WeakPolarHBondContact OH-CE2 3.28Å; Y83-F234 WeakPolarHBondContact OH-CZ 3.32Å; Y83-I277 HydrophobicContact CD1-CD1 3.74Å; Y83-I277 HydrophobicContact CD1-CG1 3.87Å; Y83-I277 HydrophobicContact CD1-CG2 4Å; Y83-I277 HydrophobicContact CE1-CD1 4.19Å; Y83-I277 HydrophobicContact CE1-CG1 4.01Å; Y83-F281 AromaticContact CD1-CZ 3.98Å; Y83-F281 HydrophobicContact CD1-CZ 3.98Å; Y83-F281 HydrophobicContact CE1-CZ 4.28Å; Y83-F281 HydrophobicContact CG-CZ 4.27Å
84L93.7Very high91.9Very high70 Ų7032.6 Ų32.637%0.36618%0.18SC..Hα-helixtrans-67.9-49.6179.3175.260.7000112.8A82 I86 G88 L273 I277A82-L84 PolarHBondContact O-N 3.47Å; L84-I86 PolarHBondContact O-N 3.28Å; L84-G88 WeakPolarHBondContact O-CA 3.11Å; L84-G88 PolarHBondContact O-N 2.86Å; L84-L273 HydrophobicContact CD1-CD2 4.26Å; L84-L273 HydrophobicContact CD1-CG 4.47Å; L84-I277 HydrophobicContact CB-CD1 3.66Å; L84-I277 HydrophobicContact CD1-CD1 3.78Å; L84-I277 HydrophobicContact CG-CD1 4.23Å
85P93.7Very high92Very high62 Ų6233.3 Ų33.340%0.40318%0.184SC..Hα-helixtrans-57.3-33.1178.7-27.534.6000114.5P28 P81 A82 P89P28-P85 HydrophobicContact CB-CG 4.48Å; P28-P85 HydrophobicContact CG-CG 4.46Å; P81-P85 VanDerWaalsContact O-CD 3.26Å; P81-P85 WeakPolarHBondContact O-CD 3.24Å; A82-P85 WeakPolarHBondContact O-CD 3.26Å; P85-P89 WeakPolarHBondContact O-CD 3.44Å; P85-P89 WeakPolarHBondContact O-CG 3.43Å
86I94.3Very high92Very high43 Ų4333.1 Ų33.122%0.22118%0.179CC..Hα-helixtrans-90.6-51.6-178.4-60.2169.1000111.3F77 A82 L84 L90 Y114F77-I86 HydrophobicContact CB-CD1 3.75Å; F77-I86 HydrophobicContact CD1-CD1 3.75Å; F77-I86 HydrophobicContact CG-CD1 4.25Å; F77-I86 VanDerWaalsContact O-CD1 3.26Å; F77-I86 WeakPolarHBondContact O-CD1 3.49Å; A82-I86 HydrophobicContact CB-CD1 3.79Å; A82-I86 WeakPolarHBondContact O-CB 3.36Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.27Å; A82-I86 PolarHBondContact O-N 3.42Å; A82-I86 VanDerWaalsContact O-N 3.12Å; L84-I86 PolarHBondContact O-N 3.28Å; I86-L90 HydrophobicContact CG2-CD1 4.3Å; I86-L90 WeakPolarHBondContact O-CG 3.35Å; I86-Y114 HydrophobicContact CB-CE1 4.33Å; I86-Y114 HydrophobicContact CB-CE2 3.99Å; I86-Y114 HydrophobicContact CD1-CE2 3.94Å; I86-Y114 HydrophobicContact CG2-CD1 4.29Å; I86-Y114 HydrophobicContact CG2-CD2 3.6Å; I86-Y114 HydrophobicContact CG2-CE1 4.16Å; I86-Y114 HydrophobicContact CG2-CE2 3.46Å; I86-Y114 VanDerWaalsContact CG2-CE2 3.46Å; I86-Y114 HydrophobicContact CG2-CG 4.02Å
87S94.3Very high91.6Very high0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-72.6-29.2-177.471.30000112.6Y83 L90 V91Y83-S87 WeakPolarHBondContact O-CA 3.3Å; Y83-S87 WeakPolarHBondContact O-CB 3.31Å; Y83-S87 PolarHBondContact O-N 3.33Å; Y83-S87 PolarHBondContact O-OG 3.4Å; S87-L90 CarbonylContact O-C 3.38Å; S87-L90 PolarHBondContact O-N 2.82Å; S87-L90 VanDerWaalsContact O-N 3.14Å; S87-V91 WeakPolarHBondContact O-CB 3.43Å; S87-V91 VanDerWaalsContact O-CG2 3.27Å; S87-V91 WeakPolarHBondContact O-CG2 3.24Å; S87-V91 PolarHBondContact O-N 2.91Å
88G94.1Very high91.3Very high6 Ų627.4 Ų27.46%0.06216%0.158CC..Hα-helixtrans-54.6-59.1-178.700000113.3L84 L90 V91 V92L84-G88 WeakPolarHBondContact O-CA 3.11Å; L84-G88 PolarHBondContact O-N 2.86Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 2.84Å; G88-V91 PolarHBondContact O-N 3.29Å; G88-V92 VanDerWaalsContact O-CG2 3.31Å; G88-V92 WeakPolarHBondContact O-CG2 3.31Å; G88-V92 PolarHBondContact O-N 3.24Å
89P95.1Very high90.7Very high82 Ų8231.2 Ų31.253%0.53219%0.191SC..Hα-helixtrans-56.8-39.7174.5-2635000112.9P85 A93P85-P89 WeakPolarHBondContact O-CD 3.44Å; P85-P89 WeakPolarHBondContact O-CG 3.43Å; P89-A93 WeakPolarHBondContact O-CB 3.46Å; P89-A93 PolarHBondContact O-N 3.42Å
90L95.8Very high90.4Very high23 Ų2332 Ų3212%0.1220%0.2CC..Hα-helixtrans-67.4-40.3-179.2-63.9178.2000112.8I86 S87 G88 A93 S94 W107 L110 L111 Y114I86-L90 HydrophobicContact CG2-CD1 4.3Å; I86-L90 WeakPolarHBondContact O-CG 3.35Å; S87-L90 CarbonylContact O-C 3.38Å; S87-L90 PolarHBondContact O-N 2.82Å; S87-L90 VanDerWaalsContact O-N 3.14Å; G88-L90 VanDerWaalsContact C-N 3.27Å; G88-L90 PolarHBondContact O-N 2.84Å; L90-A93 PolarHBondContact O-N 2.76Å; L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.31Å; L90-S94 PolarHBondContact O-N 3.32Å; L90-S94 PolarHBondContact O-OG 3.03Å; L90-W107 HydrophobicContact CD2-CE3 4.28Å; L90-W107 HydrophobicContact CD2-CZ3 4.21Å; L90-L110 HydrophobicContact CD2-CB 3.75Å; L90-L110 HydrophobicContact CD2-CD1 4.21Å; L90-L111 HydrophobicContact CB-CB 4.18Å; L90-L111 HydrophobicContact CB-CD1 3.98Å; L90-Y114 HydrophobicContact CD1-CG 4.41Å
91V94.9Very high90.4Very high3 Ų332.9 Ų32.92%0.01821%0.205CC..Hα-helixtrans-70.1-44.9177.3172.60000111.1S87 G88 A93 S94 L95 L111 F234 T237 V269 L273S87-V91 WeakPolarHBondContact O-CB 3.43Å; S87-V91 VanDerWaalsContact O-CG2 3.27Å; S87-V91 WeakPolarHBondContact O-CG2 3.24Å; S87-V91 PolarHBondContact O-N 2.91Å; G88-V91 PolarHBondContact O-N 3.29Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 2.72Å; V91-S94 PolarHBondContact O-N 3.06Å; V91-S94 PolarHBondContact O-OG 3.37Å; V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.49Å; V91-L95 PolarHBondContact O-N 3.45Å; V91-L95 VanDerWaalsContact O-N 3.08Å; V91-L111 HydrophobicContact CG2-CD1 3.59Å; V91-L111 HydrophobicContact CG2-CD2 4.03Å; V91-L111 HydrophobicContact CG2-CG 4.5Å; V91-F234 HydrophobicContact CG2-CD1 4.38Å; V91-F234 HydrophobicContact CG2-CE1 3.65Å; V91-T237 HydrophobicContact CG1-CG2 3.77Å; V91-V269 HydrophobicContact CG1-CG1 3.9Å; V91-L273 HydrophobicContact CB-CD2 4.03Å; V91-L273 HydrophobicContact CG1-CD2 4.35Å; V91-L273 HydrophobicContact CG2-CD2 4.05Å
92V93.6Very high90.3Very high28 Ų2841.7 Ų41.717%0.1724%0.244CC..Hα-helixtrans-59.3-44.8174.4172.80000109.7G88 L96 H266 V269 A270G88-V92 VanDerWaalsContact O-CG2 3.31Å; G88-V92 WeakPolarHBondContact O-CG2 3.31Å; G88-V92 PolarHBondContact O-N 3.24Å; V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.23Å; V92-H266 HydrophobicContact CG1-CB 3.9Å; V92-V269 HydrophobicContact CG2-CB 4.23Å; V92-V269 HydrophobicContact CG2-CG1 3.81Å; V92-A270 HydrophobicContact CG2-CB 3.94Å
93A92.9Very high90.3Very high9 Ų943.5 Ų43.57%0.07426%0.258CS..Hα-helixtrans-66.7-39.1-179.400000112.8P89 L90 V91 L96 H98 W107P89-A93 WeakPolarHBondContact O-CB 3.46Å; P89-A93 PolarHBondContact O-N 3.42Å; L90-A93 PolarHBondContact O-N 2.76Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 2.72Å; A93-L96 WeakPolarHBondContact O-CB 3.45Å; A93-L96 PolarHBondContact O-N 3.35Å; A93-H98 PolarHBondContact O-CE1 3.42Å; A93-H98 PolarHBondContact O-NE2 2.7Å; A93-W107 HydrophobicContact CB-CB 4.5Å; A93-W107 HydrophobicContact CB-CD2 3.46Å; A93-W107 VanDerWaalsContact CB-CD2 3.46Å; A93-W107 HydrophobicContact CB-CE3 3.36Å; A93-W107 HydrophobicContact CB-CG 3.98Å; A93-W107 HydrophobicContact CB-CH2 4.13Å; A93-W107 HydrophobicContact CB-CZ2 4.22Å; A93-W107 HydrophobicContact CB-CZ3 3.71Å
94S91.6Very high90.2Very high11 Ų1143.6 Ų43.68%0.07726%0.26CS..Hα-helixtrans-75-23.8-178.678.30000114L90 V91 Q108 L111L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.31Å; L90-S94 PolarHBondContact O-N 3.32Å; L90-S94 PolarHBondContact O-OG 3.03Å; V91-S94 PolarHBondContact O-N 3.06Å; V91-S94 PolarHBondContact O-OG 3.37Å; S94-Q108 PolarHBondContact O-NE2 3.08Å; S94-L111 VanDerWaalsContact OG-CD2 3.23Å; S94-L111 WeakPolarHBondContact OG-CD2 3.43Å
95L88.4Confident90.3Very high27 Ų2743.5 Ų43.514%0.14126%0.258CS..THydrogen-bonded Turntrans-91-4.8176.3-66.1177.2000113.3V91 A238 V269V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.49Å; V91-L95 PolarHBondContact O-N 3.45Å; V91-L95 VanDerWaalsContact O-N 3.08Å; L95-A238 HydrophobicContact CD2-CB 4.44Å; L95-V269 HydrophobicContact CD1-CG1 3.84Å; L95-V269 HydrophobicContact CD1-CG2 4.22Å
96L85.7Confident90.3Very high58 Ų5845.8 Ų45.830%0.30426%0.262SS..SBendtrans-62.3142.6172.4-82.6159.2000110.6V92 A93 H98 H266V92-L96 WeakPolarHBondContact O-CG 3.41Å; V92-L96 PolarHBondContact O-N 3.23Å; A93-L96 WeakPolarHBondContact O-CB 3.45Å; A93-L96 PolarHBondContact O-N 3.35Å; L96-H98 PolarHBondContact O-CD2 3Å; L96-H98 VanDerWaalsContact O-CD2 3.29Å; L96-H98 PolarHBondContact O-N 3.17Å; L96-H266 WeakPolarHBondContact CD2-CE1 3.17Å; L96-H266 WeakPolarHBondContact CD2-NE2 3.33Å
97P78.5Confident90.4Very high72 Ų7247.8 Ų47.847%0.46827%0.267SS..  trans-66.8105164.827.7-29.4000108.7
98H83.2Confident90.4Very high24 Ų2448.5 Ų48.511%0.11127%0.27CS..  trans-80.3147.4173.8-60.1-62.7000110.7A93 L96 G100 A103 A104 W107 Q156A93-H98 PolarHBondContact O-CE1 3.42Å; A93-H98 PolarHBondContact O-NE2 2.7Å; L96-H98 PolarHBondContact O-CD2 3Å; L96-H98 VanDerWaalsContact O-CD2 3.29Å; L96-H98 PolarHBondContact O-N 3.17Å; H98-G100 PolarHBondContact O-N 2.99Å; H98-A103 HydrophobicContact CB-CB 4.2Å; H98-A104 HydrophobicContact CB-CB 4.25Å; H98-A104 WeakPolarHBondContact CD2-CA 3.43Å; H98-W107 AromaticContact CE1-CD1 3.23Å; H98-W107 AromaticContact CE1-NE1 3.92Å; H98-W107 AromaticContact ND1-CD1 3.96Å; H98-W107 AromaticContact NE2-CD1 3.82Å; H98-Q156 VanDerWaalsContact N-NE2 3.19Å; H98-Q156 PolarHBondContact O-OE1 3.29Å
99S76.6Confident90.5Very high125 Ų12553 Ų5387%0.87429%0.288SS*.SBendtrans-77.2-8.9174.352.60000113.5
100G85.2Confident90.6Very high21 Ų2151.9 Ų51.922%0.21628%0.278CS..SBendtrans-159.4150.8179.800000113.5H98 K102 A103 A104 D160H98-G100 PolarHBondContact O-N 2.99Å; G100-K102 PolarHBondContact O-N 3.05Å; G100-A103 PolarHBondContact O-N 3.47Å; G100-A104 PolarHBondContact O-N 2.98Å; G100-D160 VanDerWaalsContact CA-OD2 3.32Å; G100-D160 WeakPolarHBondContact CA-OD2 3.23Å
101V89.4Confident90.6Very high22 Ų2251.1 Ų51.113%0.13327%0.273CS..Hα-helixtrans-51.7-39.1176.6-179.90000113.2A103 A104 M105 I157 D160 R161V101-A103 PolarHBondContact O-N 3.41Å; V101-A104 WeakPolarHBondContact O-CB 3.47Å; V101-A104 PolarHBondContact O-N 3.46Å; V101-M105 HydrophobicContact CG1-CG 4.14Å; V101-M105 HydrophobicContact CG1-SD 4.05Å; V101-M105 WeakPolarHBondContact O-CG 3.17Å; V101-M105 PolarHBondContact O-N 2.66Å; V101-I157 HydrophobicContact CB-CG1 4.5Å; V101-I157 HydrophobicContact CG1-CD1 4.3Å; V101-I157 HydrophobicContact CG1-CG1 3.58Å; V101-I157 HydrophobicContact CG2-CG1 4.06Å; V101-D160 HydrophobicContact CG2-CB 3.99Å; V101-D160 PolarHBondContact N-OD2 3.43Å; V101-R161 HydrophobicContact CG2-CG 4.26Å
102K91.1Very high90.6Very high187 Ų18751.4 Ų51.481%0.81327%0.274SS*.Hα-helixtrans-61.5-44.3-177.9-66.5-175.8-178.9-178.40112.3G100 A104 M105 F106G100-K102 PolarHBondContact O-N 3.05Å; K102-A104 VanDerWaalsContact C-N 3.34Å; K102-M105 PolarHBondContact O-N 3.41Å; K102-F106 PolarHBondContact O-N 2.92Å
103A91.8Very high90.7Very high38 Ų3851.9 Ų51.931%0.31428%0.279SS..Hα-helixtrans-65.8-40.4177.800000110.9H98 G100 V101 F106 W107H98-A103 HydrophobicContact CB-CB 4.2Å; G100-A103 PolarHBondContact O-N 3.47Å; V101-A103 PolarHBondContact O-N 3.41Å; A103-F106 PolarHBondContact O-N 3.05Å; A103-W107 PolarHBondContact O-N 3.27Å; A103-W107 VanDerWaalsContact O-N 3.13Å
104A91.6Very high90.9Very high4 Ų452.4 Ų52.43%0.03328%0.279CS..Hα-helixtrans-61.6-46.1175.600000112.3H98 G100 V101 K102 F106 W107 Q108 A153 Q156H98-A104 HydrophobicContact CB-CB 4.25Å; H98-A104 WeakPolarHBondContact CD2-CA 3.43Å; G100-A104 PolarHBondContact O-N 2.98Å; V101-A104 WeakPolarHBondContact O-CB 3.47Å; V101-A104 PolarHBondContact O-N 3.46Å; K102-A104 VanDerWaalsContact C-N 3.34Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 2.85Å; A104-W107 PolarHBondContact O-N 3.01Å; A104-Q108 VanDerWaalsContact O-CB 3.31Å; A104-Q108 WeakPolarHBondContact O-CB 3.35Å; A104-Q108 WeakPolarHBondContact O-CG 3.43Å; A104-Q108 PolarHBondContact O-N 3.32Å; A104-A153 HydrophobicContact CB-CB 4.38Å; A104-Q156 HydrophobicContact CB-CB 4.02Å; A104-Q156 HydrophobicContact CB-CG 3.73Å
105M94Very high91Very high68 Ų6852.3 Ų52.334%0.33528%0.278SS..Hα-helixtrans-62-39.8176.2-72.3-174.876.100112V101 K102 F109 T149 A153V101-M105 HydrophobicContact CG1-CG 4.14Å; V101-M105 HydrophobicContact CG1-SD 4.05Å; V101-M105 WeakPolarHBondContact O-CG 3.17Å; V101-M105 PolarHBondContact O-N 2.66Å; K102-M105 PolarHBondContact O-N 3.41Å; M105-F109 WeakPolarHBondContact O-CB 3.41Å; M105-F109 PolarHBondContact O-N 3.22Å; M105-T149 HydrophobicContact CB-CG2 4.31Å; M105-T149 HydrophobicContact CE-CG2 4.43Å; M105-T149 WeakPolarHBondContact O-CG2 3.36Å; M105-A153 HydrophobicContact CG-CB 3.63Å
106F95.2Very high91.3Very high110 Ų11051 Ų5148%0.48227%0.272SS..Hα-helixtrans-61-49.7178175-99.8000112.3K102 A103 A104 F109 L110K102-F106 PolarHBondContact O-N 2.92Å; A103-F106 PolarHBondContact O-N 3.05Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 2.85Å; F106-F109 WeakPolarHBondContact O-CB 3.22Å; F106-F109 PolarHBondContact O-N 2.92Å; F106-L110 HydrophobicContact CD1-CD1 4.3Å; F106-L110 HydrophobicContact CE1-CD1 3.63Å; F106-L110 HydrophobicContact CE2-CD1 4.29Å; F106-L110 HydrophobicContact CZ-CD1 3.63Å; F106-L110 HydrophobicContact CZ-CG 4.36Å; F106-L110 PolarHBondContact O-N 3.25Å; F106-L110 VanDerWaalsContact O-N 3.12Å
107W95Very high91.6Very high85 Ų8548.7 Ų48.732%0.32226%0.262SS..Hα-helixtrans-69.7-37.8180-71.1113.1000112.9L90 A93 H98 A103 A104 F109 L110 L111L90-W107 HydrophobicContact CD2-CE3 4.28Å; L90-W107 HydrophobicContact CD2-CZ3 4.21Å; A93-W107 HydrophobicContact CB-CB 4.5Å; A93-W107 HydrophobicContact CB-CD2 3.46Å; A93-W107 VanDerWaalsContact CB-CD2 3.46Å; A93-W107 HydrophobicContact CB-CE3 3.36Å; A93-W107 HydrophobicContact CB-CG 3.98Å; A93-W107 HydrophobicContact CB-CH2 4.13Å; A93-W107 HydrophobicContact CB-CZ2 4.22Å; A93-W107 HydrophobicContact CB-CZ3 3.71Å; H98-W107 AromaticContact CE1-CD1 3.23Å; H98-W107 AromaticContact CE1-NE1 3.92Å; H98-W107 AromaticContact ND1-CD1 3.96Å; H98-W107 AromaticContact NE2-CD1 3.82Å; A103-W107 PolarHBondContact O-N 3.27Å; A103-W107 VanDerWaalsContact O-N 3.13Å; A104-W107 PolarHBondContact O-N 3.01Å; W107-F109 VanDerWaalsContact C-N 3.35Å; W107-L110 HydrophobicContact CE3-CD1 4.09Å; W107-L110 HydrophobicContact CZ3-CD1 4.16Å; W107-L110 PolarHBondContact O-N 3.39Å; W107-L111 WeakPolarHBondContact O-CB 3.4Å; W107-L111 PolarHBondContact O-N 3.33Å
108Q95.2Very high92.3Very high15 Ų1545.3 Ų45.37%0.0724%0.24CC..Hα-helixtrans-63-42.7172.4-70.3-68.7-1700110.9S94 A104 L110 L111 Q112 T149S94-Q108 PolarHBondContact O-NE2 3.08Å; A104-Q108 VanDerWaalsContact O-CB 3.31Å; A104-Q108 WeakPolarHBondContact O-CB 3.35Å; A104-Q108 WeakPolarHBondContact O-CG 3.43Å; A104-Q108 PolarHBondContact O-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.87Å; Q108-L111 PolarHBondContact O-N 3.28Å; Q108-Q112 WeakPolarHBondContact O-CB 3.13Å; Q108-Q112 WeakPolarHBondContact O-CG 3.4Å; Q108-Q112 PolarHBondContact O-N 3.24Å; Q108-T149 HydrophobicContact CB-CG2 4.34Å
109F96.4Very high92.7Very high102 Ų10244.4 Ų44.445%0.44724%0.236SC..Hα-helixtrans-57.2-48176.8173-101.8000112.2M105 F106 W107 S113 V145 T149M105-F109 WeakPolarHBondContact O-CB 3.41Å; M105-F109 PolarHBondContact O-N 3.22Å; F106-F109 WeakPolarHBondContact O-CB 3.22Å; F106-F109 PolarHBondContact O-N 2.92Å; W107-F109 VanDerWaalsContact C-N 3.35Å; F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.21Å; F109-S113 PolarHBondContact O-OG 3.35Å; F109-V145 HydrophobicContact CD2-CG1 3.59Å; F109-V145 HydrophobicContact CE2-CG1 3.58Å; F109-T149 VanDerWaalsContact CA-OG1 3.31Å; F109-T149 WeakPolarHBondContact CA-OG1 3.42Å; F109-T149 HydrophobicContact CB-CG2 3.82Å
110L96.8Very high93.3Very high58 Ų5839.9 Ų39.930%0.30420%0.2SC..Hα-helixtrans-62.7-46.5178.1-67.2179.7000111.9L90 F106 W107 Q108 Y114L90-L110 HydrophobicContact CD2-CB 3.75Å; L90-L110 HydrophobicContact CD2-CD1 4.21Å; F106-L110 HydrophobicContact CD1-CD1 4.3Å; F106-L110 HydrophobicContact CE1-CD1 3.63Å; F106-L110 HydrophobicContact CE2-CD1 4.29Å; F106-L110 HydrophobicContact CZ-CD1 3.63Å; F106-L110 HydrophobicContact CZ-CG 4.36Å; F106-L110 PolarHBondContact O-N 3.25Å; F106-L110 VanDerWaalsContact O-N 3.12Å; W107-L110 HydrophobicContact CE3-CD1 4.09Å; W107-L110 HydrophobicContact CZ3-CD1 4.16Å; W107-L110 PolarHBondContact O-N 3.39Å; Q108-L110 PolarHBondContact O-N 2.87Å; L110-Y114 PolarHBondContact O-N 2.87Å
111L95.8Very high93.4Very high6 Ų641.7 Ų41.73%0.03120%0.203CC..Hα-helixtrans-61.4-48.3178.9176.758.6000112L90 V91 S94 W107 Q108 Y114 N115 F234L90-L111 HydrophobicContact CB-CB 4.18Å; L90-L111 HydrophobicContact CB-CD1 3.98Å; V91-L111 HydrophobicContact CG2-CD1 3.59Å; V91-L111 HydrophobicContact CG2-CD2 4.03Å; V91-L111 HydrophobicContact CG2-CG 4.5Å; S94-L111 VanDerWaalsContact OG-CD2 3.23Å; S94-L111 WeakPolarHBondContact OG-CD2 3.43Å; W107-L111 WeakPolarHBondContact O-CB 3.4Å; W107-L111 PolarHBondContact O-N 3.33Å; Q108-L111 PolarHBondContact O-N 3.28Å; L111-Y114 PolarHBondContact O-N 3.46Å; L111-N115 PolarHBondContact O-N 3.39Å; L111-N115 PolarHBondContact O-ND2 3.47Å; L111-F234 HydrophobicContact CD1-CE1 4.3Å
112Q95.2Very high93.3Very high9 Ų941.1 Ų41.14%0.04220%0.199CC..Hα-helixtrans-71.1-34.4-177.2-61.3-58-17.300112.1Q108 N115 A116 T148Q108-Q112 WeakPolarHBondContact O-CB 3.13Å; Q108-Q112 WeakPolarHBondContact O-CG 3.4Å; Q108-Q112 PolarHBondContact O-N 3.24Å; Q112-N115 PolarHBondContact O-N 2.85Å; Q112-A116 VanDerWaalsContact O-CB 3.26Å; Q112-A116 WeakPolarHBondContact O-CB 3.46Å; Q112-A116 PolarHBondContact O-N 3.03Å; Q112-T148 VanDerWaalsContact CB-OG1 3.29Å; Q112-T148 WeakPolarHBondContact CB-OG1 3.45Å; Q112-T148 WeakPolarHBondContact CG-OG1 3.34Å
113S95.5Very high93Very high39 Ų3933.5 Ų33.527%0.27317%0.165SC..Hα-helixtrans-60.6-45.7171.6-620000111.4F109 G117 V145F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.21Å; F109-S113 PolarHBondContact O-OG 3.35Å; S113-G117 PolarHBondContact O-N 3.44Å; S113-V145 WeakPolarHBondContact OG-CG1 3.45Å
114Y95.9Very high92.4Very high19 Ų1932.3 Ų32.38%0.07515%0.154CC..Hα-helixtrans-63.2-48.1177.2-178.6-105.8000111.9F77 F78 Y83 I86 L90 L110 L111 A116 G117 F118F77-Y114 VanDerWaalsContact O-CE2 3.3Å; F77-Y114 WeakPolarHBondContact O-CE2 3.35Å; F77-Y114 PolarHBondContact O-OH 2.84Å; F78-Y114 HydrophobicContact CD1-CE2 4.23Å; F78-Y114 HydrophobicContact CE1-CD2 4.22Å; F78-Y114 HydrophobicContact CE1-CE2 4.19Å; Y83-Y114 WeakPolarHBondContact CA-OH 3.46Å; Y83-Y114 AromaticContact CD2-CE1 3.64Å; Y83-Y114 HydrophobicContact CD2-CE1 3.64Å; Y83-Y114 HydrophobicContact CE2-CD1 4.48Å; Y83-Y114 AromaticContact CE2-CE1 3.79Å; Y83-Y114 HydrophobicContact CE2-CE1 3.79Å; I86-Y114 HydrophobicContact CB-CE1 4.33Å; I86-Y114 HydrophobicContact CB-CE2 3.99Å; I86-Y114 HydrophobicContact CD1-CE2 3.94Å; I86-Y114 HydrophobicContact CG2-CD1 4.29Å; I86-Y114 HydrophobicContact CG2-CD2 3.6Å; I86-Y114 HydrophobicContact CG2-CE1 4.16Å; I86-Y114 HydrophobicContact CG2-CE2 3.46Å; I86-Y114 VanDerWaalsContact CG2-CE2 3.46Å; I86-Y114 HydrophobicContact CG2-CG 4.02Å; L90-Y114 HydrophobicContact CD1-CG 4.41Å; L110-Y114 PolarHBondContact O-N 2.87Å; L111-Y114 PolarHBondContact O-N 3.46Å; Y114-A116 PolarHBondContact O-N 3.32Å; Y114-G117 PolarHBondContact O-N 3.27Å; Y114-F118 WeakPolarHBondContact O-CB 3.47Å; Y114-F118 PolarHBondContact O-N 3.46Å
115N94.6Very high91.1Very high9 Ų934.2 Ų34.25%0.04817%0.167CC..Hα-helixtrans-63.2-39.8179.2-76.2-31000113Y83 L111 Q112 F118 S119 F234Y83-N115 PolarHBondContact OH-OD1 2.98Å; Y83-N115 VanDerWaalsContact OH-OD1 3.13Å; L111-N115 PolarHBondContact O-N 3.39Å; L111-N115 PolarHBondContact O-ND2 3.47Å; Q112-N115 PolarHBondContact O-N 2.85Å; N115-F118 PolarHBondContact O-N 2.87Å; N115-S119 WeakPolarHBondContact O-CB 3.5Å; N115-S119 PolarHBondContact O-N 3.49Å; N115-S119 PolarHBondContact O-OG 3.45Å; N115-F234 WeakPolarHBondContact ND2-CZ 3.43Å; N115-F234 WeakPolarHBondContact OD1-CZ 3.12Å
116A93.9Very high89.2Confident1 Ų132.2 Ų32.21%0.00816%0.16CC..Hα-helixtrans-64.4-46.7175.500000111.1Q112 Y114 F118 S119 Y120 V145 V193Q112-A116 VanDerWaalsContact O-CB 3.26Å; Q112-A116 WeakPolarHBondContact O-CB 3.46Å; Q112-A116 PolarHBondContact O-N 3.03Å; Y114-A116 PolarHBondContact O-N 3.32Å; A116-F118 VanDerWaalsContact C-N 3.35Å; A116-F118 PolarHBondContact O-N 2.82Å; A116-S119 PolarHBondContact O-N 3.21Å; A116-Y120 WeakPolarHBondContact O-CB 3.21Å; A116-Y120 PolarHBondContact O-N 2.9Å; A116-V145 HydrophobicContact CB-CG2 3.8Å; A116-V193 HydrophobicContact CB-CG2 4.01Å
117G92.5Very high87Confident9 Ų930.8 Ų30.89%0.09316%0.16CC..Hα-helixtrans-61.8-41.4175.900000112.7F78 S113 Y114 Y120 M121F78-G117 VanDerWaalsContact CE1-C 3.48Å; S113-G117 PolarHBondContact O-N 3.44Å; Y114-G117 PolarHBondContact O-N 3.27Å; G117-Y120 PolarHBondContact O-N 3.38Å; G117-M121 VanDerWaalsContact O-CG 3.32Å; G117-M121 WeakPolarHBondContact O-CG 3.28Å; G117-M121 PolarHBondContact O-N 3.41Å
118F92.8Very high84.6Confident1 Ų136.5 Ų36.50%0.00419%0.19CC..Hα-helixtrans-62-46.7176.8-170.7-85.8000111.5F78 Y83 Y114 N115 A116 Y120 M121 H122 F281 L314F78-F118 HydrophobicContact CD1-CB 4.23Å; F78-F118 HydrophobicContact CD1-CD2 4.46Å; Y83-F118 HydrophobicContact CD2-CD1 4.16Å; Y83-F118 AromaticContact CD2-CD2 3.49Å; Y83-F118 HydrophobicContact CD2-CD2 3.49Å; Y83-F118 VanDerWaalsContact CD2-CD2 3.49Å; Y83-F118 HydrophobicContact CD2-CE1 4.11Å; Y83-F118 AromaticContact CD2-CE2 3.41Å; Y83-F118 HydrophobicContact CD2-CE2 3.41Å; Y83-F118 VanDerWaalsContact CD2-CE2 3.41Å; Y83-F118 AromaticContact CD2-CG 3.86Å; Y83-F118 HydrophobicContact CD2-CG 3.86Å; Y83-F118 AromaticContact CD2-CZ 3.72Å; Y83-F118 HydrophobicContact CD2-CZ 3.72Å; Y83-F118 HydrophobicContact CE2-CB 4.44Å; Y83-F118 AromaticContact CE2-CD1 3.99Å; Y83-F118 HydrophobicContact CE2-CD1 3.99Å; Y83-F118 HydrophobicContact CE2-CD2 4Å; Y83-F118 HydrophobicContact CE2-CE1 4.23Å; Y83-F118 HydrophobicContact CE2-CE2 4.21Å; Y83-F118 AromaticContact CE2-CG 3.87Å; Y83-F118 HydrophobicContact CE2-CG 3.87Å; Y83-F118 HydrophobicContact CE2-CZ 4.31Å; Y83-F118 HydrophobicContact CG-CE2 4.1Å; Y83-F118 HydrophobicContact CG-CZ 4.26Å; Y114-F118 WeakPolarHBondContact O-CB 3.47Å; Y114-F118 PolarHBondContact O-N 3.46Å; N115-F118 PolarHBondContact O-N 2.87Å; A116-F118 VanDerWaalsContact C-N 3.35Å; A116-F118 PolarHBondContact O-N 2.82Å; F118-Y120 VanDerWaalsContact C-N 3.3Å; F118-Y120 PolarHBondContact O-N 3.4Å; F118-M121 PolarHBondContact O-N 3.17Å; F118-H122 AromaticContact CD1-ND1 3.7Å; F118-H122 AromaticContact CD2-CE1 3.79Å; F118-H122 AromaticContact CE1-CE1 3.56Å; F118-H122 AromaticContact CE1-ND1 3.53Å; F118-H122 AromaticContact CE2-CE1 3.35Å; F118-H122 WeakPolarHBondContact CE2-CE1 3.48Å; F118-H122 AromaticContact CG-ND1 3.99Å; F118-H122 AromaticContact CZ-CE1 3.23Å; F118-H122 WeakPolarHBondContact CZ-CE1 3.18Å; F118-H122 AromaticContact CZ-ND1 3.72Å; F118-H122 AromaticContact CZ-NE2 3.83Å; F118-H122 PolarHBondContact O-N 2.93Å; F118-H122 PolarHBondContact O-ND1 2.88Å; F118-F281 HydrophobicContact CZ-CZ 4.42Å; F118-L314 HydrophobicContact CE1-CD2 3.87Å; F118-L314 HydrophobicContact CE1-CG 4.19Å; F118-L314 HydrophobicContact CZ-CD2 3.67Å; F118-L314 HydrophobicContact CZ-CG 4.47Å
119S91.8Very high82Confident5 Ų545 Ų454%0.03523%0.227CC..Hα-helixtrans-64.4-35.9177.4-56.10000112N115 A116 R123N115-S119 WeakPolarHBondContact O-CB 3.5Å; N115-S119 PolarHBondContact O-N 3.49Å; N115-S119 PolarHBondContact O-OG 3.45Å; A116-S119 PolarHBondContact O-N 3.21Å; S119-R123 PolarHBondContact O-N 3.25Å
120Y89.9Confident79.8Confident29 Ų2943.2 Ų43.211%0.11422%0.22CC..Hα-helixtrans-67.9-40.2176176.8-95.1000112.5A116 G117 F118 H122 R123 M133 Q137 M141A116-Y120 WeakPolarHBondContact O-CB 3.21Å; A116-Y120 PolarHBondContact O-N 2.9Å; G117-Y120 PolarHBondContact O-N 3.38Å; F118-Y120 VanDerWaalsContact C-N 3.3Å; F118-Y120 PolarHBondContact O-N 3.4Å; Y120-H122 VanDerWaalsContact C-N 3.29Å; Y120-H122 PolarHBondContact O-N 3.07Å; Y120-R123 VanDerWaalsContact CE2-CZ 3.42Å; Y120-R123 WeakPolarHBondContact O-CB 3.28Å; Y120-R123 VanDerWaalsContact O-CD 3.24Å; Y120-R123 WeakPolarHBondContact O-CD 3.17Å; Y120-R123 WeakPolarHBondContact O-CG 3.43Å; Y120-R123 PolarHBondContact O-N 3.06Å; Y120-R123 PolarHBondContact OH-NH2 3.31Å; Y120-M133 HydrophobicContact CD2-CE 4.44Å; Y120-M133 HydrophobicContact CE2-CE 4.03Å; Y120-M133 HydrophobicContact CE2-CG 4.38Å; Y120-Q137 HydrophobicContact CE2-CB 4.41Å; Y120-M141 VanDerWaalsContact CB-SD 3.6Å; Y120-M141 HydrophobicContact CD1-CE 4.35Å; Y120-M141 HydrophobicContact CD2-CE 4.43Å; Y120-M141 HydrophobicContact CD2-CG 4.48Å; Y120-M141 HydrophobicContact CD2-SD 4.04Å; Y120-M141 HydrophobicContact CG-CE 4.15Å; Y120-M141 HydrophobicContact CG-SD 3.81Å
121M87.8Confident77.6Confident59 Ų5950.6 Ų50.629%0.29125%0.249SC..Hα-helixtrans-72-22.5179.8-68.6-62.7164.900113.5H67 L74 F78 G117 F118H67-M121 PolarHBondContact CD2-O 3.48Å; L74-M121 HydrophobicContact CD2-CB 4.36Å; F78-M121 HydrophobicContact CB-CB 4.04Å; F78-M121 HydrophobicContact CB-CG 3.94Å; F78-M121 HydrophobicContact CD1-CG 4.3Å; F78-M121 HydrophobicContact CD2-CE 4.43Å; F78-M121 HydrophobicContact CD2-CG 3.79Å; F78-M121 HydrophobicContact CE2-CE 4.38Å; F78-M121 HydrophobicContact CE2-CG 4.37Å; F78-M121 HydrophobicContact CG-CB 4.31Å; F78-M121 HydrophobicContact CG-CG 3.75Å; G117-M121 VanDerWaalsContact O-CG 3.32Å; G117-M121 WeakPolarHBondContact O-CG 3.28Å; G117-M121 PolarHBondContact O-N 3.41Å; F118-M121 PolarHBondContact O-N 3.17Å
122H87.7Confident75.9Confident11 Ų1159 Ų595%0.05129%0.286CS..THydrogen-bonded Turntrans-103.310.3177.9-64.588.7000113.8F78 F118 Y120 L314F78-H122 PolarHBondContact O-CE1 3.4Å; F118-H122 AromaticContact CD1-ND1 3.7Å; F118-H122 AromaticContact CD2-CE1 3.79Å; F118-H122 AromaticContact CE1-CE1 3.56Å; F118-H122 AromaticContact CE1-ND1 3.53Å; F118-H122 AromaticContact CE2-CE1 3.35Å; F118-H122 WeakPolarHBondContact CE2-CE1 3.48Å; F118-H122 AromaticContact CG-ND1 3.99Å; F118-H122 AromaticContact CZ-CE1 3.23Å; F118-H122 WeakPolarHBondContact CZ-CE1 3.18Å; F118-H122 AromaticContact CZ-ND1 3.72Å; F118-H122 AromaticContact CZ-NE2 3.83Å; F118-H122 PolarHBondContact O-N 2.93Å; F118-H122 PolarHBondContact O-ND1 2.88Å; Y120-H122 VanDerWaalsContact C-N 3.29Å; Y120-H122 PolarHBondContact O-N 3.07Å; H122-L314 HydrophobicContact CB-CB 3.77Å
123R84.2Confident74.6Confident27 Ų2761.7 Ų61.710%0.10230%0.299CS..SBendtrans-63.9150.5173.579.6-171.1175.4136.66110.3H67 S119 Y120 S125 E130 R194 E197H67-R123 PolarHBondContact NE2-O 3.22Å; H67-R123 VanDerWaalsContact NE2-O 3.09Å; S119-R123 PolarHBondContact O-N 3.25Å; Y120-R123 VanDerWaalsContact CE2-CZ 3.42Å; Y120-R123 WeakPolarHBondContact O-CB 3.28Å; Y120-R123 VanDerWaalsContact O-CD 3.24Å; Y120-R123 WeakPolarHBondContact O-CD 3.17Å; Y120-R123 WeakPolarHBondContact O-CG 3.43Å; Y120-R123 PolarHBondContact O-N 3.06Å; Y120-R123 PolarHBondContact OH-NH2 3.31Å; R123-S125 PolarHBondContact O-N 3.33Å; R123-S125 VanDerWaalsContact O-N 3.15Å; R123-E130 IonicContact CZ-OE2 3.72Å; R123-E130 VanDerWaalsContact CZ-OE2 3.24Å; R123-E130 IonicContact NH1-OE2 3.67Å; R123-E130 PolarHBondContact NH1-OE2 3.37Å; R123-E130 IonicContact NH2-OE2 2.75Å; R123-E130 PolarHBondContact NH2-OE2 3.48Å; R123-R194 HydrophobicContact CB-CG 4.36Å; R123-E197 WeakPolarHBondContact CA-OE1 3.25Å; R123-E197 VanDerWaalsContact CB-OE1 3.24Å; R123-E197 WeakPolarHBondContact CB-OE1 3.35Å
124N78.9Confident73.9Confident13 Ų1361.7 Ų61.77%0.0730%0.299CS..  trans-73.8111.1176.1-163.5-29.3000109.8V69 S126 E197 I202 H311V69-N124 WeakPolarHBondContact CG2-OD1 3.32Å; N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 3.19Å; N124-S126 PolarHBondContact OD1-N 3.01Å; N124-E197 HydrophobicContact CB-CG 4.42Å; N124-E197 PolarHBondContact N-OE1 2.63Å; N124-I202 HydrophobicContact CB-CB 4.37Å; N124-I202 HydrophobicContact CB-CG2 3.77Å; N124-H311 PolarHBondContact ND2-O 3.25Å
125S63.6Low73.3Confident44 Ų4467.2 Ų67.231%0.30833%0.329SS..  trans-91.627.5-174.571.90000113.8H67 R123 T127H67-S125 PolarHBondContact CE1-OG 3.49Å; R123-S125 PolarHBondContact O-N 3.33Å; R123-S125 VanDerWaalsContact O-N 3.15Å; S125-T127 PolarHBondContact O-N 3.09Å
126S54.9Low72.8Confident26 Ų2670.8 Ų70.818%0.18235%0.351CS..  trans-62-12.6-169.2490000115.8N124 Q203N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 3.19Å; N124-S126 PolarHBondContact OD1-N 3.01Å; S126-Q203 PolarHBondContact OG-N 3.2Å
127T49.7Very low72.5Confident79 Ų7970.7 Ų70.749%0.48535%0.351SS..SBendtrans-94.3106.2174.5-3.90000109.8S125 K129S125-T127 PolarHBondContact O-N 3.09Å; T127-K129 PolarHBondContact O-N 3.22Å
128E42.7Very low72.2Confident205 Ų20574.1 Ų74.196%0.95837%0.366SS*.THydrogen-bonded Turntrans-50.4-0.2176.4-82-176.4139.300116.2
129K42Very low72.1Confident195 Ų19580.2 Ų80.285%0.84840%0.398SS*.THydrogen-bonded Turntrans-88.7-9.2-174.4-80.2-176.4175.8176.20116.2T127T127-K129 PolarHBondContact O-N 3.22Å
130E49.5Very low72Confident64 Ų6482.2 Ų82.230%0.29941%0.408SS..  trans-109.864.7-176.5-72.3-164165.400113.6R123 K132 S134 Q196R123-E130 IonicContact CZ-OE2 3.72Å; R123-E130 VanDerWaalsContact CZ-OE2 3.24Å; R123-E130 IonicContact NH1-OE2 3.67Å; R123-E130 PolarHBondContact NH1-OE2 3.37Å; R123-E130 IonicContact NH2-OE2 2.75Å; R123-E130 PolarHBondContact NH2-OE2 3.48Å; E130-K132 PolarHBondContact O-N 3.12Å; E130-S134 WeakPolarHBondContact OE1-CB 3.39Å; E130-Q196 PolarHBondContact OE1-NE2 2.85Å; E130-Q196 PolarHBondContact OE2-OE1 3.17Å
131K51.3Low72.1Confident212 Ų21282.5 Ų82.592%0.92241%0.412SS*.SBendtrans-70.6-13.2163.3-140.4175.5-171175.30112.3
132K58.6Low72.3Confident183 Ų18383.6 Ų83.680%0.79642%0.421SS*.SBendtrans-126136.6174.1-69.8-176.6179.7179.40109.4E130 S134E130-K132 PolarHBondContact O-N 3.12Å; K132-S134 PolarHBondContact O-N 3.47Å; K132-S134 VanDerWaalsContact O-N 3.15Å
133M69.1Low72.6Confident65 Ų6584.8 Ų84.832%0.3244%0.437SS..  trans-57.6116.9171.8-172.2176.6-168.700109.1Y120 Q137 L138 M141Y120-M133 HydrophobicContact CD2-CE 4.44Å; Y120-M133 HydrophobicContact CE2-CE 4.03Å; Y120-M133 HydrophobicContact CE2-CG 4.38Å; M133-Q137 HydrophobicContact CE-CB 4.01Å; M133-Q137 HydrophobicContact CG-CB 4.01Å; M133-L138 VanDerWaalsContact CE-CA 3.43Å; M133-L138 HydrophobicContact CE-CB 4.06Å; M133-L138 HydrophobicContact CE-CD1 4.11Å; M133-L138 HydrophobicContact SD-CB 4.21Å; M133-L138 HydrophobicContact SD-CD1 3.95Å; M133-M141 HydrophobicContact CE-CB 4.17Å; M133-M141 HydrophobicContact CE-CE 3.19Å; M133-M141 HydrophobicContact CE-CG 3.7Å; M133-M141 HydrophobicContact CE-SD 4.11Å; M133-M141 HydrophobicContact SD-CE 4.08Å
134S80.8Confident73.1Confident39 Ų3983.6 Ų83.627%0.27343%0.432SS..  trans-59.8146.1175.6175.10000110.3E130 K132 T136 Q137 L138E130-S134 WeakPolarHBondContact OE1-CB 3.39Å; K132-S134 PolarHBondContact O-N 3.47Å; K132-S134 VanDerWaalsContact O-N 3.15Å; S134-T136 PolarHBondContact O-N 2.94Å; S134-T136 PolarHBondContact OG-N 3.39Å; S134-Q137 WeakPolarHBondContact O-CB 3.3Å; S134-Q137 PolarHBondContact O-N 3.16Å; S134-L138 PolarHBondContact O-N 2.78Å
135L84.1Confident73.9Confident135 Ų13583.7 Ų83.771%0.70743%0.433SS*.Hα-helixtrans-55.9-36174.1-70.4177.9000111.3Q137 L138 L139L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-Q137 PolarHBondContact O-N 2.59Å; L135-L138 PolarHBondContact O-N 3.14Å; L135-L139 WeakPolarHBondContact O-CB 3.36Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.31Å; L135-L139 PolarHBondContact O-N 3.02Å
136T83.9Confident75.4Confident84 Ų8484.7 Ų84.752%0.51544%0.44SS..Hα-helixtrans-61.3-43.3175.2-49.90000111.5S134 L138 L139 L140S134-T136 PolarHBondContact O-N 2.94Å; S134-T136 PolarHBondContact OG-N 3.39Å; T136-L138 VanDerWaalsContact C-N 3.34Å; T136-L139 PolarHBondContact O-N 3.08Å; T136-L140 HydrophobicContact CG2-CD1 4.31Å; T136-L140 WeakPolarHBondContact O-CB 3.46Å; T136-L140 VanDerWaalsContact O-CG 3.28Å; T136-L140 WeakPolarHBondContact O-CG 3.49Å; T136-L140 PolarHBondContact O-N 3.35Å
137Q85.8Confident77.3Confident0 Ų087.5 Ų87.50%045%0.447CS..Hα-helixtrans-64.8-40.4176.3-77.4-68.4-5900111.7Y120 M133 S134 L135 L140 M141 Q196Y120-Q137 HydrophobicContact CE2-CB 4.41Å; M133-Q137 HydrophobicContact CE-CB 4.01Å; M133-Q137 HydrophobicContact CG-CB 4.01Å; S134-Q137 WeakPolarHBondContact O-CB 3.3Å; S134-Q137 PolarHBondContact O-N 3.16Å; L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-Q137 PolarHBondContact O-N 2.59Å; Q137-L140 PolarHBondContact O-N 2.84Å; Q137-M141 WeakPolarHBondContact O-CB 3.33Å; Q137-M141 WeakPolarHBondContact O-CG 3.44Å; Q137-M141 PolarHBondContact O-N 2.86Å; Q137-Q196 HydrophobicContact CG-CG 4.45Å; Q137-Q196 VanDerWaalsContact CG-NE2 3.31Å
138L88Confident79.3Confident80 Ų8083.7 Ų83.742%0.41942%0.424SS..Hα-helixtrans-63.9-45178.3-17765.2000110.8M133 S134 L135 T136 M141 V142M133-L138 VanDerWaalsContact CE-CA 3.43Å; M133-L138 HydrophobicContact CE-CB 4.06Å; M133-L138 HydrophobicContact CE-CD1 4.11Å; M133-L138 HydrophobicContact SD-CB 4.21Å; M133-L138 HydrophobicContact SD-CD1 3.95Å; S134-L138 PolarHBondContact O-N 2.78Å; L135-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact C-N 3.34Å; L138-M141 PolarHBondContact O-N 2.99Å; L138-V142 HydrophobicContact CD1-CG2 4.23Å; L138-V142 HydrophobicContact CG-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.34Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.22Å; L138-V142 PolarHBondContact O-N 2.69Å
139L90.1Very high81.8Confident129 Ų12974.4 Ų74.468%0.67538%0.381SS*.Hα-helixtrans-62.4-42176-71.3171.1000112L135 T136 G143L135-L139 WeakPolarHBondContact O-CB 3.36Å; L135-L139 VanDerWaalsContact O-CG 3.3Å; L135-L139 WeakPolarHBondContact O-CG 3.31Å; L135-L139 PolarHBondContact O-N 3.02Å; T136-L139 PolarHBondContact O-N 3.08Å; L139-G143 WeakPolarHBondContact O-CA 3.47Å; L139-G143 PolarHBondContact O-N 3.13Å
140L90.2Very high84.2Confident47 Ų4768.2 Ų68.225%0.24636%0.362CS..Hα-helixtrans-63-45175.5-73.7171.5000111.6T136 Q137 T144 H195T136-L140 HydrophobicContact CG2-CD1 4.31Å; T136-L140 WeakPolarHBondContact O-CB 3.46Å; T136-L140 VanDerWaalsContact O-CG 3.28Å; T136-L140 WeakPolarHBondContact O-CG 3.49Å; T136-L140 PolarHBondContact O-N 3.35Å; Q137-L140 PolarHBondContact O-N 2.84Å; L140-T144 WeakPolarHBondContact O-CB 3.31Å; L140-T144 PolarHBondContact O-N 2.95Å; L140-T144 PolarHBondContact O-OG1 3.44Å; L140-H195 HydrophobicContact CD1-CB 4.46Å
141M90.8Very high86.3Confident36 Ų3666.2 Ų66.218%0.17736%0.356CS..Hα-helixtrans-62.9-51.8176.9-75-129.6-68.800111.9Y120 M133 Q137 L138 G143 T144 V145Y120-M141 VanDerWaalsContact CB-SD 3.6Å; Y120-M141 HydrophobicContact CD1-CE 4.35Å; Y120-M141 HydrophobicContact CD2-CE 4.43Å; Y120-M141 HydrophobicContact CD2-CG 4.48Å; Y120-M141 HydrophobicContact CD2-SD 4.04Å; Y120-M141 HydrophobicContact CG-CE 4.15Å; Y120-M141 HydrophobicContact CG-SD 3.81Å; M133-M141 HydrophobicContact CE-CB 4.17Å; M133-M141 HydrophobicContact CE-CE 3.19Å; M133-M141 HydrophobicContact CE-CG 3.7Å; M133-M141 HydrophobicContact CE-SD 4.11Å; M133-M141 HydrophobicContact SD-CE 4.08Å; Q137-M141 WeakPolarHBondContact O-CB 3.33Å; Q137-M141 WeakPolarHBondContact O-CG 3.44Å; Q137-M141 PolarHBondContact O-N 2.86Å; L138-M141 PolarHBondContact O-N 2.99Å; M141-G143 PolarHBondContact O-N 3.33Å; M141-T144 WeakPolarHBondContact O-CB 3.39Å; M141-T144 PolarHBondContact O-N 2.79Å; M141-T144 VanDerWaalsContact O-N 3.17Å; M141-V145 WeakPolarHBondContact O-CG2 3.29Å; M141-V145 PolarHBondContact O-N 3.13Å
142V93.4Very high88.2Confident82 Ų8256.5 Ų56.550%0.49732%0.317SS..Hα-helixtrans-62.4-44-179.7171.70000110.9L138 T144 V145 S146L138-V142 HydrophobicContact CD1-CG2 4.23Å; L138-V142 HydrophobicContact CG-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.34Å; L138-V142 VanDerWaalsContact O-CG2 3.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.22Å; L138-V142 PolarHBondContact O-N 2.69Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.3Å; V142-V145 PolarHBondContact O-N 3.29Å; V142-S146 VanDerWaalsContact O-CB 3.3Å; V142-S146 WeakPolarHBondContact O-CB 3.47Å; V142-S146 PolarHBondContact O-N 3.31Å; V142-S146 PolarHBondContact O-OG 3.35Å
143G93.5Very high89.8Confident36 Ų3647.8 Ų47.837%0.37128%0.279SS..Hα-helixtrans-59.8-43.4174.400000111.6L139 M141 S146 Y147L139-G143 WeakPolarHBondContact O-CA 3.47Å; L139-G143 PolarHBondContact O-N 3.13Å; M141-G143 PolarHBondContact O-N 3.33Å; G143-S146 PolarHBondContact O-N 3.23Å; G143-Y147 WeakPolarHBondContact O-CD1 3.26Å; G143-Y147 PolarHBondContact O-N 3.42Å
144T94.1Very high90.9Very high2 Ų247.4 Ų47.41%0.01228%0.278CS..Hα-helixtrans-60.2-53.3177.8-59.70000112.1L140 M141 V142 S146 Y147 T148 N189 T192 V193L140-T144 WeakPolarHBondContact O-CB 3.31Å; L140-T144 PolarHBondContact O-N 2.95Å; L140-T144 PolarHBondContact O-OG1 3.44Å; M141-T144 WeakPolarHBondContact O-CB 3.39Å; M141-T144 PolarHBondContact O-N 2.79Å; M141-T144 VanDerWaalsContact O-N 3.17Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.3Å; T144-S146 VanDerWaalsContact C-N 3.26Å; T144-S146 PolarHBondContact O-N 3.21Å; T144-Y147 VanDerWaalsContact CA-CE1 3.41Å; T144-Y147 HydrophobicContact CG2-CE1 3.96Å; T144-Y147 PolarHBondContact O-N 3.44Å; T144-T148 HydrophobicContact CG2-CG2 4.16Å; T144-T148 WeakPolarHBondContact O-CB 3.23Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.18Å; T144-T148 PolarHBondContact O-N 3.44Å; T144-T148 PolarHBondContact O-OG1 3.35Å; T144-N189 HydrophobicContact CG2-CB 4.1Å; T144-N189 WeakPolarHBondContact CG2-ND2 3.2Å; T144-T192 VanDerWaalsContact CG2-OG1 3.29Å; T144-T192 WeakPolarHBondContact CG2-OG1 3.32Å; T144-T192 VanDerWaalsContact OG1-CB 3.3Å; T144-T192 WeakPolarHBondContact OG1-CB 3.12Å; T144-T192 PolarHBondContact OG1-OG1 2.81Å; T144-V193 HydrophobicContact CG2-CG2 4.07Å
145V95.2Very high91.2Very high15 Ų1546.2 Ų46.29%0.09127%0.269CS..Hα-helixtrans-59.2-42178.11740000110.3F109 S113 A116 M141 V142 T148 T149F109-V145 HydrophobicContact CD2-CG1 3.59Å; F109-V145 HydrophobicContact CE2-CG1 3.58Å; S113-V145 WeakPolarHBondContact OG-CG1 3.45Å; A116-V145 HydrophobicContact CB-CG2 3.8Å; M141-V145 WeakPolarHBondContact O-CG2 3.29Å; M141-V145 PolarHBondContact O-N 3.13Å; V142-V145 PolarHBondContact O-N 3.29Å; V145-T148 PolarHBondContact O-OG1 2.66Å; V145-T149 WeakPolarHBondContact O-CB 3.18Å; V145-T149 PolarHBondContact O-N 3.32Å; V145-T149 PolarHBondContact O-OG1 3.01Å
146S94.9Very high91.4Very high65 Ų6540.5 Ų40.546%0.45524%0.239SC..Hα-helixtrans-63.1-53.4-179-59.30000112.5V142 G143 T144 C150V142-S146 VanDerWaalsContact O-CB 3.3Å; V142-S146 WeakPolarHBondContact O-CB 3.47Å; V142-S146 PolarHBondContact O-N 3.31Å; V142-S146 PolarHBondContact O-OG 3.35Å; G143-S146 PolarHBondContact O-N 3.23Å; T144-S146 VanDerWaalsContact C-N 3.26Å; T144-S146 PolarHBondContact O-N 3.21Å; S146-C150 PolarHBondContact O-N 2.9Å; S146-C150 PolarHBondContact O-SG 3.03Å
147Y94.8Very high91.5Very high84 Ų8438.7 Ų38.733%0.32923%0.225SC..Hα-helixtrans-68.5-40.7-177.986.2-107.4000111.5G143 T144 T149 C150 A151 F188 N189 T192G143-Y147 WeakPolarHBondContact O-CD1 3.26Å; G143-Y147 PolarHBondContact O-N 3.42Å; T144-Y147 VanDerWaalsContact CA-CE1 3.41Å; T144-Y147 HydrophobicContact CG2-CE1 3.96Å; T144-Y147 PolarHBondContact O-N 3.44Å; Y147-T149 VanDerWaalsContact C-N 3.33Å; Y147-T149 PolarHBondContact O-N 3.03Å; Y147-C150 PolarHBondContact O-N 3.23Å; Y147-A151 VanDerWaalsContact O-CB 3.27Å; Y147-A151 WeakPolarHBondContact O-CB 3.49Å; Y147-A151 PolarHBondContact O-N 3.3Å; Y147-F188 HydrophobicContact CE2-CB 4.38Å; Y147-F188 WeakPolarHBondContact OH-CB 3.44Å; Y147-F188 PolarHBondContact OH-O 3.33Å; Y147-N189 PolarHBondContact OH-N 2.89Å; Y147-T192 HydrophobicContact CE1-CG2 4.2Å
148T93.5Very high91.6Very high0 Ų041.9 Ų41.90%024%0.239CC..Hα-helixtrans-67.8-34-179.153.50000112.2Q112 T144 V145 G152 L185Q112-T148 VanDerWaalsContact CB-OG1 3.29Å; Q112-T148 WeakPolarHBondContact CB-OG1 3.45Å; Q112-T148 WeakPolarHBondContact CG-OG1 3.34Å; T144-T148 HydrophobicContact CG2-CG2 4.16Å; T144-T148 WeakPolarHBondContact O-CB 3.23Å; T144-T148 VanDerWaalsContact O-CG2 3.28Å; T144-T148 WeakPolarHBondContact O-CG2 3.18Å; T144-T148 PolarHBondContact O-N 3.44Å; T144-T148 PolarHBondContact O-OG1 3.35Å; V145-T148 PolarHBondContact O-OG1 2.66Å; T148-G152 PolarHBondContact O-N 3.2Å; T148-L185 HydrophobicContact CG2-CD2 4.2Å
149T94.4Very high91.4Very high9 Ų938.6 Ų38.66%0.05522%0.222CC..Hα-helixtrans-62.6-50173.8-630000111.2M105 Q108 F109 V145 Y147 G152 A153M105-T149 HydrophobicContact CB-CG2 4.31Å; M105-T149 HydrophobicContact CE-CG2 4.43Å; M105-T149 WeakPolarHBondContact O-CG2 3.36Å; Q108-T149 HydrophobicContact CB-CG2 4.34Å; F109-T149 VanDerWaalsContact CA-OG1 3.31Å; F109-T149 WeakPolarHBondContact CA-OG1 3.42Å; F109-T149 HydrophobicContact CB-CG2 3.82Å; V145-T149 WeakPolarHBondContact O-CB 3.18Å; V145-T149 PolarHBondContact O-N 3.32Å; V145-T149 PolarHBondContact O-OG1 3.01Å; Y147-T149 VanDerWaalsContact C-N 3.33Å; Y147-T149 PolarHBondContact O-N 3.03Å; T149-G152 PolarHBondContact O-N 3.45Å; T149-A153 PolarHBondContact O-N 3.1Å; T149-A153 VanDerWaalsContact O-N 3.16Å
150C93.1Very high91.1Very high65 Ų6535.5 Ų35.544%0.43921%0.206SC..Hα-helixtrans-62-46178.6-70.30000111.2S146 Y147 A153 L154S146-C150 PolarHBondContact O-N 2.9Å; S146-C150 PolarHBondContact O-SG 3.03Å; Y147-C150 PolarHBondContact O-N 3.23Å; C150-A153 PolarHBondContact O-N 3.33Å; C150-L154 PolarHBondContact O-N 3.16Å
151A93.7Very high90.6Very high22 Ų2242.3 Ų42.318%0.18223%0.229CC..Hα-helixtrans-66.3-40.2179.800000112.2Y147 A153 L154 L181 L185Y147-A151 VanDerWaalsContact O-CB 3.27Å; Y147-A151 WeakPolarHBondContact O-CB 3.49Å; Y147-A151 PolarHBondContact O-N 3.3Å; A151-A153 PolarHBondContact O-N 3.38Å; A151-L154 HydrophobicContact CB-CD1 4.26Å; A151-L154 WeakPolarHBondContact O-CB 3.35Å; A151-L154 WeakPolarHBondContact O-CD1 3.17Å; A151-L154 WeakPolarHBondContact O-CG 3.47Å; A151-L154 PolarHBondContact O-N 3.37Å; A151-L154 VanDerWaalsContact O-N 3.08Å; A151-L181 WeakPolarHBondContact O-CD2 3.13Å; A151-L185 HydrophobicContact CB-CD2 3.52Å
152G91Very high90Very high9 Ų946 Ų469%0.09325%0.249CC..Hα-helixtrans-63.3-26.9175.300000113.6T148 T149 P155T148-G152 PolarHBondContact O-N 3.2Å; T149-G152 PolarHBondContact O-N 3.45Å; G152-P155 WeakPolarHBondContact O-CD 3.5Å
153A92.1Very high89.4Confident0 Ų051.3 Ų51.30%026%0.26CS..THydrogen-bonded Turntrans-84.7-5.1175.600000114A104 M105 T149 C150 A151 P155 Q156 I157A104-A153 HydrophobicContact CB-CB 4.38Å; M105-A153 HydrophobicContact CG-CB 3.63Å; T149-A153 PolarHBondContact O-N 3.1Å; T149-A153 VanDerWaalsContact O-N 3.16Å; C150-A153 PolarHBondContact O-N 3.33Å; A151-A153 PolarHBondContact O-N 3.38Å; A153-P155 VanDerWaalsContact C-CD 3.44Å; A153-Q156 PolarHBondContact O-N 2.88Å; A153-I157 HydrophobicContact CB-CD1 4.1Å; A153-I157 HydrophobicContact CB-CG1 4.47Å; A153-I157 WeakPolarHBondContact O-CG1 3.44Å; A153-I157 PolarHBondContact O-N 3.1Å
154L91.1Very high88.7Confident57 Ų5750.8 Ų50.830%0.29825%0.248SC..Hα-helixtrans-51.6-43.2-178.6-74.3170.3000114.4C150 A151 Q156 I157 F158C150-L154 PolarHBondContact O-N 3.16Å; A151-L154 HydrophobicContact CB-CD1 4.26Å; A151-L154 WeakPolarHBondContact O-CB 3.35Å; A151-L154 WeakPolarHBondContact O-CD1 3.17Å; A151-L154 WeakPolarHBondContact O-CG 3.47Å; A151-L154 PolarHBondContact O-N 3.37Å; A151-L154 VanDerWaalsContact O-N 3.08Å; L154-Q156 PolarHBondContact O-N 2.76Å; L154-I157 PolarHBondContact O-N 3.26Å; L154-F158 HydrophobicContact CB-CE2 4.37Å; L154-F158 HydrophobicContact CB-CZ 4.45Å; L154-F158 HydrophobicContact CD2-CE1 4.1Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 WeakPolarHBondContact O-CB 3.27Å; L154-F158 VanDerWaalsContact O-CG 3.28Å; L154-F158 WeakPolarHBondContact O-CG 3.12Å; L154-F158 PolarHBondContact O-N 3.29Å
155P87.9Confident87.8Confident13 Ų1360.5 Ų60.58%0.08429%0.285CS..Hα-helixtrans-53.3-42.5176.3-30.738.9000113.4G152 A153 I159 C173 L177 P178 L181G152-P155 WeakPolarHBondContact O-CD 3.5Å; A153-P155 VanDerWaalsContact C-CD 3.44Å; P155-I159 VanDerWaalsContact O-CD1 3.31Å; P155-I159 WeakPolarHBondContact O-CD1 3.48Å; P155-I159 VanDerWaalsContact O-CG1 3.24Å; P155-I159 WeakPolarHBondContact O-CG1 3.22Å; P155-I159 PolarHBondContact O-N 2.96Å; P155-C173 WeakPolarHBondContact CB-O 3.24Å; P155-L177 HydrophobicContact CG-CD2 4.27Å; P155-P178 HydrophobicContact CG-CG 4.25Å; P155-L181 HydrophobicContact CG-CD2 3.82Å
156Q87.1Confident87.4Confident16 Ų1662.3 Ų62.38%0.07530%0.298CS..Hα-helixtrans-79.6-35.5-179-61.4-65.80.100111.6H98 A104 A153 L154 F158 I159 D160H98-Q156 VanDerWaalsContact N-NE2 3.19Å; H98-Q156 PolarHBondContact O-OE1 3.29Å; A104-Q156 HydrophobicContact CB-CB 4.02Å; A104-Q156 HydrophobicContact CB-CG 3.73Å; A153-Q156 PolarHBondContact O-N 2.88Å; L154-Q156 PolarHBondContact O-N 2.76Å; Q156-F158 VanDerWaalsContact C-N 3.32Å; Q156-F158 PolarHBondContact O-N 2.81Å; Q156-I159 PolarHBondContact O-N 3.48Å; Q156-D160 WeakPolarHBondContact O-CB 3.25Å; Q156-D160 PolarHBondContact O-N 2.96Å
157I87.5Confident86.8Confident45 Ų4563.6 Ų63.623%0.23131%0.305CS..Hα-helixtrans-59.7-45.6173-66.5167.1000110.1V101 A153 L154 I159 R161 L162V101-I157 HydrophobicContact CB-CG1 4.5Å; V101-I157 HydrophobicContact CG1-CD1 4.3Å; V101-I157 HydrophobicContact CG1-CG1 3.58Å; V101-I157 HydrophobicContact CG2-CG1 4.06Å; A153-I157 HydrophobicContact CB-CD1 4.1Å; A153-I157 HydrophobicContact CB-CG1 4.47Å; A153-I157 WeakPolarHBondContact O-CG1 3.44Å; A153-I157 PolarHBondContact O-N 3.1Å; L154-I157 PolarHBondContact O-N 3.26Å; I157-I159 PolarHBondContact O-N 3.43Å; I157-R161 HydrophobicContact CG2-CB 4.21Å; I157-R161 HydrophobicContact CG2-CG 4.23Å; I157-R161 WeakPolarHBondContact O-CA 3.46Å; I157-R161 WeakPolarHBondContact O-CB 3.39Å; I157-R161 PolarHBondContact O-N 2.92Å; I157-L162 PolarHBondContact O-N 3.34Å
158F86.9Confident86.3Confident67 Ų6764.3 Ų64.329%0.29432%0.319SS..Hα-helixtrans-63.5-40.5178.5-67.2-17.6000112.4L154 Q156 L162 I164 L177L154-F158 HydrophobicContact CB-CE2 4.37Å; L154-F158 HydrophobicContact CB-CZ 4.45Å; L154-F158 HydrophobicContact CD2-CE1 4.1Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 WeakPolarHBondContact O-CB 3.27Å; L154-F158 VanDerWaalsContact O-CG 3.28Å; L154-F158 WeakPolarHBondContact O-CG 3.12Å; L154-F158 PolarHBondContact O-N 3.29Å; Q156-F158 VanDerWaalsContact C-N 3.32Å; Q156-F158 PolarHBondContact O-N 2.81Å; F158-L162 HydrophobicContact CB-CD1 4.32Å; F158-L162 HydrophobicContact CD1-CD1 3.43Å; F158-L162 VanDerWaalsContact CD1-CD1 3.43Å; F158-L162 HydrophobicContact CD1-CG 4.31Å; F158-L162 HydrophobicContact CE1-CD1 4.04Å; F158-L162 HydrophobicContact CG-CD1 4.15Å; F158-L162 VanDerWaalsContact O-CB 3.31Å; F158-L162 WeakPolarHBondContact O-CB 3.46Å; F158-L162 PolarHBondContact O-N 3.25Å; F158-I164 HydrophobicContact CB-CD1 3.82Å; F158-I164 VanDerWaalsContact O-CD1 3.31Å; F158-I164 WeakPolarHBondContact O-CD1 3.19Å; F158-I164 WeakPolarHBondContact O-CG1 3.45Å; F158-L177 HydrophobicContact CD2-CD2 3.9Å; F158-L177 HydrophobicContact CE2-CD2 3.98Å
159I84.9Confident85.9Confident12 Ų1267.8 Ų67.86%0.06234%0.338CS..Hα-helixtrans-70.2-51.8179.5-66164.7000111.1P155 Q156 I157 R163 I164 C173 R174P155-I159 VanDerWaalsContact O-CD1 3.31Å; P155-I159 WeakPolarHBondContact O-CD1 3.48Å; P155-I159 VanDerWaalsContact O-CG1 3.24Å; P155-I159 WeakPolarHBondContact O-CG1 3.22Å; P155-I159 PolarHBondContact O-N 2.96Å; Q156-I159 PolarHBondContact O-N 3.48Å; I157-I159 PolarHBondContact O-N 3.43Å; I159-R163 PolarHBondContact O-N 2.87Å; I159-I164 PolarHBondContact O-N 3.08Å; I159-C173 HydrophobicContact CD1-CB 3.94Å; I159-C173 HydrophobicContact CG1-CB 3.95Å; I159-R174 HydrophobicContact CD1-CG 3.5Å; I159-R174 VanDerWaalsContact CD1-CG 3.5Å
160D83.2Confident85.4Confident63 Ų6370 Ų7034%0.33735%0.347SS..Hα-helixtrans-82.9-44.1-170.6-67.1-15.5000113G100 V101 Q156G100-D160 VanDerWaalsContact CA-OD2 3.32Å; G100-D160 WeakPolarHBondContact CA-OD2 3.23Å; V101-D160 HydrophobicContact CG2-CB 3.99Å; V101-D160 PolarHBondContact N-OD2 3.43Å; Q156-D160 WeakPolarHBondContact O-CB 3.25Å; Q156-D160 PolarHBondContact O-N 2.96Å
161R79.8Confident84.9Confident190 Ų19070.5 Ų70.572%0.71735%0.349SS*.THydrogen-bonded Turntrans-85.9-41.3-174.4-64.3-72.9-164.21633.6112.4V101 I157 R163V101-R161 HydrophobicContact CG2-CG 4.26Å; I157-R161 HydrophobicContact CG2-CB 4.21Å; I157-R161 HydrophobicContact CG2-CG 4.23Å; I157-R161 WeakPolarHBondContact O-CA 3.46Å; I157-R161 WeakPolarHBondContact O-CB 3.39Å; I157-R161 PolarHBondContact O-N 2.92Å; R161-R163 PolarHBondContact O-N 2.97Å
162L78.7Confident84.6Confident114 Ų11473.9 Ų73.960%0.59736%0.359SS*.THydrogen-bonded Turntrans-83.91.9177.7-53.7178000112.9I157 F158 I164I157-L162 PolarHBondContact O-N 3.34Å; F158-L162 HydrophobicContact CB-CD1 4.32Å; F158-L162 HydrophobicContact CD1-CD1 3.43Å; F158-L162 VanDerWaalsContact CD1-CD1 3.43Å; F158-L162 HydrophobicContact CD1-CG 4.31Å; F158-L162 HydrophobicContact CE1-CD1 4.04Å; F158-L162 HydrophobicContact CG-CD1 4.15Å; F158-L162 VanDerWaalsContact O-CB 3.31Å; F158-L162 WeakPolarHBondContact O-CB 3.46Å; F158-L162 PolarHBondContact O-N 3.25Å; L162-I164 HydrophobicContact CB-CG1 4.34Å; L162-I164 PolarHBondContact O-N 3.23Å
163R79.8Confident84.3Confident194 Ų19473.6 Ų73.673%0.73236%0.356SS*.THydrogen-bonded Turntrans48.945.6178-63.7-177.2174.8-176.8-0.3112.2I159 R161 R165I159-R163 PolarHBondContact O-N 2.87Å; R161-R163 PolarHBondContact O-N 2.97Å; R163-R165 PolarHBondContact O-N 3.08Å
164I79.1Confident83.9Confident25 Ų2578.6 Ų78.613%0.12838%0.375CS..  trans-64.2105.3175.9-70.3172.7000108.6F158 I159 L162 L169 Q170F158-I164 HydrophobicContact CB-CD1 3.82Å; F158-I164 VanDerWaalsContact O-CD1 3.31Å; F158-I164 WeakPolarHBondContact O-CD1 3.19Å; F158-I164 WeakPolarHBondContact O-CG1 3.45Å; I159-I164 PolarHBondContact O-N 3.08Å; L162-I164 HydrophobicContact CB-CG1 4.34Å; L162-I164 PolarHBondContact O-N 3.23Å; I164-L169 HydrophobicContact CB-CD2 4.33Å; I164-L169 HydrophobicContact CD1-CD2 3.79Å; I164-L169 HydrophobicContact CD1-CG 4.04Å; I164-L169 HydrophobicContact CG1-CD2 3.87Å; I164-L169 HydrophobicContact CG1-CG 4.47Å; I164-L169 HydrophobicContact CG2-CB 3.6Å; I164-L169 HydrophobicContact CG2-CD2 3.56Å; I164-L169 HydrophobicContact CG2-CG 3.58Å; I164-Q170 HydrophobicContact CG2-CG 4Å; I164-Q170 WeakPolarHBondContact O-CG 3.47Å; I164-Q170 PolarHBondContact O-NE2 3.16Å
165R76.1Confident83.5Confident206 Ų20677.6 Ų77.678%0.77737%0.372SS*.  trans-98.2-11.6-179.4-71.9-168.8175.8178.5-1.7114.1R163 P167R163-R165 PolarHBondContact O-N 3.08Å; R165-P167 WeakPolarHBondContact O-CD 3.31Å
166S85.3Confident83.6Confident52 Ų5281.4 Ų81.436%0.36439%0.391SS..  trans-73.8122.3179.6510000110.7P168 L169 Q170S166-P168 VanDerWaalsContact C-CD 3.42Å; S166-L169 PolarHBondContact O-N 3.4Å; S166-L169 VanDerWaalsContact O-N 3.12Å; S166-L169 WeakPolarHBondContact OG-CB 3.23Å; S166-Q170 PolarHBondContact O-N 3.33Å
167P82.6Confident83.7Confident93 Ų9382.4 Ų82.460%0.60440%0.397SS*.Hα-helixtrans-51.3-41176.4-26.134.2000115.4R165 L169 T171R165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-L169 PolarHBondContact O-N 3.29Å; P167-T171 PolarHBondContact O-N 3.43Å; P167-T171 PolarHBondContact O-OG1 3.23Å
168P84.9Confident83.9Confident98 Ų9881 Ų8164%0.63639%0.39SS*.Hα-helixtrans-66.5-38.217824.2-34.2000112.3S166 T171 F172S166-P168 VanDerWaalsContact C-CD 3.42Å; P168-T171 PolarHBondContact O-N 2.82Å; P168-F172 PolarHBondContact O-N 3.25Å
169L84.9Confident84.1Confident74 Ų7480.3 Ų80.339%0.38739%0.39SS..Hα-helixtrans-73.8-35.6-178.9-16660.9000111.5I164 S166 P167 T171 F172 C173I164-L169 HydrophobicContact CB-CD2 4.33Å; I164-L169 HydrophobicContact CD1-CD2 3.79Å; I164-L169 HydrophobicContact CD1-CG 4.04Å; I164-L169 HydrophobicContact CG1-CD2 3.87Å; I164-L169 HydrophobicContact CG1-CG 4.47Å; I164-L169 HydrophobicContact CG2-CB 3.6Å; I164-L169 HydrophobicContact CG2-CD2 3.56Å; I164-L169 HydrophobicContact CG2-CG 3.58Å; S166-L169 PolarHBondContact O-N 3.4Å; S166-L169 VanDerWaalsContact O-N 3.12Å; S166-L169 WeakPolarHBondContact OG-CB 3.23Å; P167-L169 PolarHBondContact O-N 3.29Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 2.93Å; L169-F172 HydrophobicContact CD1-CD1 4.41Å; L169-F172 PolarHBondContact O-N 3.45Å; L169-C173 PolarHBondContact O-N 3.05Å; L169-C173 PolarHBondContact O-SG 3.07Å; L169-C173 VanDerWaalsContact O-SG 3.35Å
170Q83.4Confident84.6Confident54 Ų5483.6 Ų83.625%0.25241%0.411SS..Hα-helixtrans-61.5-41.7170.3-70.1-173.47.200111.9I164 S166 C173 R174I164-Q170 HydrophobicContact CG2-CG 4Å; I164-Q170 WeakPolarHBondContact O-CG 3.47Å; I164-Q170 PolarHBondContact O-NE2 3.16Å; S166-Q170 PolarHBondContact O-N 3.33Å; Q170-C173 PolarHBondContact O-N 2.96Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 VanDerWaalsContact O-CG 3.32Å; Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.35Å
171T83.1Confident85.1Confident77 Ų7781.8 Ų81.847%0.47240%0.402SS..Hα-helixtrans-63.5-43.7177.4-57.40000111P167 P168 L169 R174 S175P167-T171 PolarHBondContact O-N 3.43Å; P167-T171 PolarHBondContact O-OG1 3.23Å; P168-T171 PolarHBondContact O-N 2.82Å; L169-T171 VanDerWaalsContact C-N 3.32Å; L169-T171 PolarHBondContact O-N 2.93Å; T171-R174 PolarHBondContact O-N 3.33Å; T171-S175 VanDerWaalsContact O-CB 3.29Å; T171-S175 WeakPolarHBondContact O-CB 3.47Å; T171-S175 PolarHBondContact O-N 2.73Å; T171-S175 PolarHBondContact O-OG 3.19Å
172F86.8Confident85.8Confident92 Ų9273.8 Ų73.840%0.40438%0.375SS..Iπ-helixtrans-58-52.3174.3176.6-94.6000111.7P168 L169 R174 S175 I176 L177P168-F172 PolarHBondContact O-N 3.25Å; L169-F172 HydrophobicContact CD1-CD1 4.41Å; L169-F172 PolarHBondContact O-N 3.45Å; F172-R174 VanDerWaalsContact C-N 3.32Å; F172-R174 PolarHBondContact O-N 3Å; F172-S175 PolarHBondContact O-N 2.88Å; F172-I176 HydrophobicContact CD2-CB 3.76Å; F172-I176 HydrophobicContact CD2-CD1 3.91Å; F172-I176 HydrophobicContact CD2-CG1 4.37Å; F172-I176 HydrophobicContact CD2-CG2 3.86Å; F172-I176 HydrophobicContact CE2-CB 4.05Å; F172-I176 HydrophobicContact CE2-CG2 3.66Å; F172-I176 HydrophobicContact CG-CB 4.43Å; F172-I176 PolarHBondContact O-N 2.84Å; F172-L177 HydrophobicContact CE1-CB 4.19Å; F172-L177 PolarHBondContact O-N 2.9Å
173C85.7Confident86.7Confident4 Ų469.4 Ų69.43%0.02736%0.355CS..Iπ-helixtrans-62-36.1179.5-69.40000112.8P155 I159 L169 Q170 P178P155-C173 WeakPolarHBondContact CB-O 3.24Å; I159-C173 HydrophobicContact CD1-CB 3.94Å; I159-C173 HydrophobicContact CG1-CB 3.95Å; L169-C173 PolarHBondContact O-N 3.05Å; L169-C173 PolarHBondContact O-SG 3.07Å; L169-C173 VanDerWaalsContact O-SG 3.35Å; Q170-C173 PolarHBondContact O-N 2.96Å; C173-P178 WeakPolarHBondContact O-CD 3.41Å
174R83.7Confident87.5Confident105 Ų10561.9 Ų61.940%0.39634%0.335SS..Iπ-helixtrans-84.2-25.4-177.1-70.9-178.3173.3160.10.6114.8I159 Q170 T171 F172I159-R174 HydrophobicContact CD1-CG 3.5Å; I159-R174 VanDerWaalsContact CD1-CG 3.5Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 VanDerWaalsContact O-CG 3.32Å; Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.35Å; T171-R174 PolarHBondContact O-N 3.33Å; F172-R174 VanDerWaalsContact C-N 3.32Å; F172-R174 PolarHBondContact O-N 3Å
175S83.1Confident88.3Confident35 Ų3561.2 Ų61.225%0.24533%0.331CS..Iπ-helixtrans-124.9-35.4-166.7-42.80000113.8T171 F172 I179 N242T171-S175 VanDerWaalsContact O-CB 3.29Å; T171-S175 WeakPolarHBondContact O-CB 3.47Å; T171-S175 PolarHBondContact O-N 2.73Å; T171-S175 PolarHBondContact O-OG 3.19Å; F172-S175 PolarHBondContact O-N 2.88Å; S175-I179 WeakPolarHBondContact O-CD1 3.47Å; S175-N242 PolarHBondContact O-ND2 3.28Å
176I88.1Confident89.2Confident94 Ų9451.7 Ų51.748%0.48230%0.296SS..Iπ-helixtrans-97.5-52.3-174.9-60.5175.9000110F172 P178 I179 P180F172-I176 HydrophobicContact CD2-CB 3.76Å; F172-I176 HydrophobicContact CD2-CD1 3.91Å; F172-I176 HydrophobicContact CD2-CG1 4.37Å; F172-I176 HydrophobicContact CD2-CG2 3.86Å; F172-I176 HydrophobicContact CE2-CB 4.05Å; F172-I176 HydrophobicContact CE2-CG2 3.66Å; F172-I176 HydrophobicContact CG-CB 4.43Å; F172-I176 PolarHBondContact O-N 2.84Å; I176-P178 VanDerWaalsContact C-CD 3.42Å; I176-I179 PolarHBondContact O-N 3.36Å; I176-P180 WeakPolarHBondContact O-CD 3.37Å
177L90.4Very high89.8Confident37 Ų3750.7 Ų50.719%0.19429%0.286CS..THydrogen-bonded Turntrans-56-39.7-178.6-177.563.8000114.3P155 F158 F172 I179 P180 L181P155-L177 HydrophobicContact CG-CD2 4.27Å; F158-L177 HydrophobicContact CD2-CD2 3.9Å; F158-L177 HydrophobicContact CE2-CD2 3.98Å; F172-L177 HydrophobicContact CE1-CB 4.19Å; F172-L177 PolarHBondContact O-N 2.9Å; L177-I179 PolarHBondContact O-N 3.36Å; L177-I179 VanDerWaalsContact O-N 3.14Å; L177-P180 WeakPolarHBondContact O-CD 3.48Å; L177-L181 WeakPolarHBondContact O-CB 3.29Å; L177-L181 PolarHBondContact O-N 3.04Å
178P90.6Very high90.4Very high14 Ų1451.3 Ų51.39%0.09128%0.279CS..Hα-helixtrans-63.4-20.5-178.5-25.237.3000114.3P155 C173 I176 S182P155-P178 HydrophobicContact CG-CG 4.25Å; C173-P178 WeakPolarHBondContact O-CD 3.41Å; I176-P178 VanDerWaalsContact C-CD 3.42Å; P178-S182 WeakPolarHBondContact O-CB 3.38Å; P178-S182 PolarHBondContact O-N 3.03Å; P178-S182 PolarHBondContact O-OG 3.48Å
179I92.6Very high90.9Very high54 Ų5446.7 Ų46.728%0.27725%0.249SC..Hα-helixtrans-69.8-65.3-177.1-54.2173000111.3S175 I176 L177 L181 S182 A183 A238S175-I179 WeakPolarHBondContact O-CD1 3.47Å; I176-I179 PolarHBondContact O-N 3.36Å; L177-I179 PolarHBondContact O-N 3.36Å; L177-I179 VanDerWaalsContact O-N 3.14Å; I179-L181 PolarHBondContact O-N 3.43Å; I179-S182 PolarHBondContact O-N 3.1Å; I179-A183 PolarHBondContact O-N 2.89Å; I179-A238 HydrophobicContact CG1-CB 4.45Å
180P94.7Very high91.3Very high80 Ų8043.3 Ų43.352%0.51923%0.231SC..Hα-helixtrans-64.5-30.8177.228.4-35.9000111.6I176 L177 A184I176-P180 WeakPolarHBondContact O-CD 3.37Å; L177-P180 WeakPolarHBondContact O-CD 3.48Å; P180-A184 VanDerWaalsContact O-CB 3.28Å; P180-A184 WeakPolarHBondContact O-CB 2.95Å; P180-A184 PolarHBondContact O-N 3.45Å
181L94.6Very high91.9Very high26 Ų2642.4 Ų42.414%0.13623%0.228CC..Hα-helixtrans-62.8-51.8176.8-17963.5000111.4A151 P155 L177 I179 A183 A184 L185A151-L181 WeakPolarHBondContact O-CD2 3.13Å; P155-L181 HydrophobicContact CG-CD2 3.82Å; L177-L181 WeakPolarHBondContact O-CB 3.29Å; L177-L181 PolarHBondContact O-N 3.04Å; I179-L181 PolarHBondContact O-N 3.43Å; L181-A183 VanDerWaalsContact C-N 3.29Å; L181-A183 PolarHBondContact O-N 3.22Å; L181-A184 PolarHBondContact O-N 2.96Å; L181-L185 HydrophobicContact CD1-CD1 3.96Å; L181-L185 HydrophobicContact CD1-CD2 4.36Å; L181-L185 HydrophobicContact CD1-CG 4.02Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 HydrophobicContact CG-CG 4.31Å; L181-L185 WeakPolarHBondContact O-CB 3.43Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 3.02Å
182S94.1Very high92.4Very high21 Ų2140.6 Ų40.615%0.14722%0.217CC..Hα-helixtrans-62.3-38.3-179.3-57.40000112P178 I179 A186P178-S182 WeakPolarHBondContact O-CB 3.38Å; P178-S182 PolarHBondContact O-N 3.03Å; P178-S182 PolarHBondContact O-OG 3.48Å; I179-S182 PolarHBondContact O-N 3.1Å; S182-A186 WeakPolarHBondContact O-CB 3.22Å; S182-A186 PolarHBondContact O-N 3.4Å; S182-A186 VanDerWaalsContact O-N 3.1Å
183A96.5Very high92.6Very high22 Ų2236.2 Ų36.218%0.18220%0.198CC..Hα-helixtrans-62.9-48.9174.600000111.9I179 L181 A186 F187 A231I179-A183 PolarHBondContact O-N 2.89Å; L181-A183 VanDerWaalsContact C-N 3.29Å; L181-A183 PolarHBondContact O-N 3.22Å; A183-A186 PolarHBondContact O-N 2.81Å; A183-F187 VanDerWaalsContact O-CB 3.32Å; A183-F187 WeakPolarHBondContact O-CB 3.27Å; A183-F187 PolarHBondContact O-N 3.46Å; A183-A231 HydrophobicContact CB-CB 4.28Å; A183-A231 WeakPolarHBondContact CB-O 3.36Å; A183-A231 WeakPolarHBondContact O-CA 3.38Å; A183-A231 WeakPolarHBondContact O-CB 3.34Å
184A96.8Very high92.8Very high37 Ų3736 Ų3631%0.30620%0.196SC..Hα-helixtrans-64.1-42.5179.400000112.1P180 L181 A186 F187 F188P180-A184 VanDerWaalsContact O-CB 3.28Å; P180-A184 WeakPolarHBondContact O-CB 2.95Å; P180-A184 PolarHBondContact O-N 3.45Å; L181-A184 PolarHBondContact O-N 2.96Å; A184-A186 PolarHBondContact O-N 3.31Å; A184-F187 WeakPolarHBondContact O-CB 3.39Å; A184-F187 PolarHBondContact O-N 2.98Å; A184-F188 HydrophobicContact CB-CD2 4.36Å; A184-F188 HydrophobicContact CB-CE2 4.37Å; A184-F188 WeakPolarHBondContact O-CD2 3.17Å; A184-F188 PolarHBondContact O-N 2.88Å
185L95.8Very high93.1Very high10 Ų1034.6 Ų34.65%0.05219%0.194CC..Hα-helixtrans-62.9-43.6178.3-66.9177.2000111.9T148 A151 L181 F187 N189T148-L185 HydrophobicContact CG2-CD2 4.2Å; A151-L185 HydrophobicContact CB-CD2 3.52Å; L181-L185 HydrophobicContact CD1-CD1 3.96Å; L181-L185 HydrophobicContact CD1-CD2 4.36Å; L181-L185 HydrophobicContact CD1-CG 4.02Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 HydrophobicContact CG-CG 4.31Å; L181-L185 WeakPolarHBondContact O-CB 3.43Å; L181-L185 WeakPolarHBondContact O-CG 3.32Å; L181-L185 PolarHBondContact O-N 3.02Å; L185-F187 VanDerWaalsContact C-N 3.33Å; L185-N189 WeakPolarHBondContact O-CB 3.36Å; L185-N189 PolarHBondContact O-N 2.84Å
186A96.3Very high93.3Very high6 Ų634.9 Ų34.95%0.0519%0.191CC..Hα-helixtrans-64.1-40.3175.500000112S182 A183 A184 V190 R230 F234S182-A186 WeakPolarHBondContact O-CB 3.22Å; S182-A186 PolarHBondContact O-N 3.4Å; S182-A186 VanDerWaalsContact O-N 3.1Å; A183-A186 PolarHBondContact O-N 2.81Å; A184-A186 PolarHBondContact O-N 3.31Å; A186-V190 PolarHBondContact O-N 3.46Å; A186-R230 HydrophobicContact CB-CB 4.08Å; A186-F234 HydrophobicContact CB-CB 3.95Å; A186-F234 HydrophobicContact CB-CD2 3.42Å; A186-F234 VanDerWaalsContact CB-CD2 3.42Å; A186-F234 HydrophobicContact CB-CE2 4.23Å; A186-F234 HydrophobicContact CB-CG 3.95Å
187F96.7Very high93.3Very high31 Ų3130.7 Ų30.714%0.13617%0.17CC..Hα-helixtrans-61.7-54.3177.1-175.4-96.7000112A183 A184 L185 N189 V190 L191 W224 A227 A231A183-F187 VanDerWaalsContact O-CB 3.32Å; A183-F187 WeakPolarHBondContact O-CB 3.27Å; A183-F187 PolarHBondContact O-N 3.46Å; A184-F187 WeakPolarHBondContact O-CB 3.39Å; A184-F187 PolarHBondContact O-N 2.98Å; L185-F187 VanDerWaalsContact C-N 3.33Å; F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 3.29Å; F187-V190 PolarHBondContact O-N 3.06Å; F187-L191 HydrophobicContact CD1-CD1 3.73Å; F187-L191 HydrophobicContact CD1-CG 4.4Å; F187-L191 HydrophobicContact CE1-CD1 3.14Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CZ-CD1 3.71Å; F187-L191 HydrophobicContact CZ-CG 4.22Å; F187-L191 PolarHBondContact O-N 3.12Å; F187-L191 VanDerWaalsContact O-N 3.17Å; F187-W224 HydrophobicContact CE1-CH2 4.34Å; F187-W224 HydrophobicContact CE1-CZ3 4.29Å; F187-W224 AromaticContact CE2-CE3 3.92Å; F187-W224 HydrophobicContact CE2-CE3 3.92Å; F187-W224 AromaticContact CE2-CZ3 3.92Å; F187-W224 HydrophobicContact CE2-CZ3 3.92Å; F187-W224 HydrophobicContact CZ-CD2 4.27Å; F187-W224 AromaticContact CZ-CE3 3.58Å; F187-W224 HydrophobicContact CZ-CE3 3.58Å; F187-W224 AromaticContact CZ-CH2 3.71Å; F187-W224 HydrophobicContact CZ-CH2 3.71Å; F187-W224 HydrophobicContact CZ-CZ2 4.37Å; F187-W224 AromaticContact CZ-CZ3 3.29Å; F187-W224 HydrophobicContact CZ-CZ3 3.29Å; F187-A227 VanDerWaalsContact CD2-C 3.48Å; F187-A227 HydrophobicContact CD2-CB 3.47Å; F187-A227 VanDerWaalsContact CD2-CB 3.47Å; F187-A227 HydrophobicContact CE2-CB 3.48Å; F187-A227 VanDerWaalsContact CE2-CB 3.48Å; F187-A227 HydrophobicContact CG-CB 4.12Å; F187-A227 HydrophobicContact CZ-CB 4.16Å; F187-A231 HydrophobicContact CB-CB 4.03Å; F187-A231 HydrophobicContact CD2-CB 4.28Å
188F95.4Very high93.3Very high106 Ų10630.8 Ų30.847%0.46517%0.172SC..Hα-helixtrans-68.5-32.1-178.6-73.2-66.2000112.6Y147 A184 V190 L191 T192Y147-F188 HydrophobicContact CE2-CB 4.38Å; Y147-F188 WeakPolarHBondContact OH-CB 3.44Å; Y147-F188 PolarHBondContact OH-O 3.33Å; A184-F188 HydrophobicContact CB-CD2 4.36Å; A184-F188 HydrophobicContact CB-CE2 4.37Å; A184-F188 WeakPolarHBondContact O-CD2 3.17Å; A184-F188 PolarHBondContact O-N 2.88Å; F188-V190 VanDerWaalsContact C-N 3.32Å; F188-V190 PolarHBondContact O-N 3.41Å; F188-L191 HydrophobicContact CD1-CD1 4.06Å; F188-L191 HydrophobicContact CE1-CD1 4.39Å; F188-L191 PolarHBondContact O-N 2.69Å; F188-T192 WeakPolarHBondContact O-CG2 3.33Å; F188-T192 PolarHBondContact O-N 3.04Å; F188-T192 PolarHBondContact O-OG1 2.9Å
189N95.4Very high93.1Very high2 Ų235.2 Ų35.21%0.01119%0.192CC..Hα-helixtrans-56.5-47.4174.9-177.8-73.9000111.4T144 Y147 L185 F187 T192 V193T144-N189 HydrophobicContact CG2-CB 4.1Å; T144-N189 WeakPolarHBondContact CG2-ND2 3.2Å; Y147-N189 PolarHBondContact OH-N 2.89Å; L185-N189 WeakPolarHBondContact O-CB 3.36Å; L185-N189 PolarHBondContact O-N 2.84Å; F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 3.29Å; N189-T192 PolarHBondContact O-N 3.32Å; N189-T192 PolarHBondContact O-OG1 3.01Å; N189-V193 VanDerWaalsContact O-CB 3.32Å; N189-V193 WeakPolarHBondContact O-CB 3.43Å; N189-V193 VanDerWaalsContact O-CG2 3.22Å; N189-V193 WeakPolarHBondContact O-CG2 3.32Å; N189-V193 PolarHBondContact O-N 3.42Å
190V94.4Very high92.9Very high2 Ų236.2 Ų36.21%0.01220%0.2CC..Hα-helixtrans-65.4-46.4177.7176.20000111A186 F187 F188 T192 R194 V223 T226 A227 R230A186-V190 PolarHBondContact O-N 3.46Å; F187-V190 PolarHBondContact O-N 3.06Å; F188-V190 VanDerWaalsContact C-N 3.32Å; F188-V190 PolarHBondContact O-N 3.41Å; V190-T192 VanDerWaalsContact C-N 3.3Å; V190-T192 PolarHBondContact O-N 3.46Å; V190-R194 WeakPolarHBondContact O-CB 3.41Å; V190-R194 PolarHBondContact O-N 2.86Å; V190-V223 HydrophobicContact CG1-CG1 4.25Å; V190-T226 HydrophobicContact CG1-CG2 3.87Å; V190-T226 HydrophobicContact CG2-CG2 4.49Å; V190-A227 HydrophobicContact CB-CB 3.91Å; V190-A227 HydrophobicContact CG1-CB 3.94Å; V190-R230 HydrophobicContact CG2-CB 4.16Å; V190-R230 HydrophobicContact CG2-CG 3.69Å
191L94.6Very high92.5Very high36 Ų3632.5 Ų32.519%0.18818%0.176CC..Hα-helixtrans-57.9-41.6179.5-76.4179.7000112.8F187 F188 H195 V223 A227F187-L191 HydrophobicContact CD1-CD1 3.73Å; F187-L191 HydrophobicContact CD1-CG 4.4Å; F187-L191 HydrophobicContact CE1-CD1 3.14Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CZ-CD1 3.71Å; F187-L191 HydrophobicContact CZ-CG 4.22Å; F187-L191 PolarHBondContact O-N 3.12Å; F187-L191 VanDerWaalsContact O-N 3.17Å; F188-L191 HydrophobicContact CD1-CD1 4.06Å; F188-L191 HydrophobicContact CE1-CD1 4.39Å; F188-L191 PolarHBondContact O-N 2.69Å; L191-H195 WeakPolarHBondContact O-CA 3.24Å; L191-H195 WeakPolarHBondContact O-CB 3.17Å; L191-H195 PolarHBondContact O-N 2.9Å; L191-V223 HydrophobicContact CD2-CG1 3.88Å; L191-A227 HydrophobicContact CD2-CB 4.5Å; L191-A227 HydrophobicContact CG-CB 4.27Å
192T93.4Very high92.3Very high38 Ų3831.2 Ų31.223%0.23317%0.17CC..Hα-helixtrans-79.4-41.7-17753.60000112.2T144 Y147 F188 N189 V190 H195T144-T192 VanDerWaalsContact CG2-OG1 3.29Å; T144-T192 WeakPolarHBondContact CG2-OG1 3.32Å; T144-T192 VanDerWaalsContact OG1-CB 3.3Å; T144-T192 WeakPolarHBondContact OG1-CB 3.12Å; T144-T192 PolarHBondContact OG1-OG1 2.81Å; Y147-T192 HydrophobicContact CE1-CG2 4.2Å; F188-T192 WeakPolarHBondContact O-CG2 3.33Å; F188-T192 PolarHBondContact O-N 3.04Å; F188-T192 PolarHBondContact O-OG1 2.9Å; N189-T192 PolarHBondContact O-N 3.32Å; N189-T192 PolarHBondContact O-OG1 3.01Å; V190-T192 VanDerWaalsContact C-N 3.3Å; V190-T192 PolarHBondContact O-N 3.46Å; T192-H195 WeakPolarHBondContact O-CB 3.33Å
193V91.4Very high92.1Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-68.6-43.1179.5172.70000111A116 T144 N189 H195A116-V193 HydrophobicContact CB-CG2 4.01Å; T144-V193 HydrophobicContact CG2-CG2 4.07Å; N189-V193 VanDerWaalsContact O-CB 3.32Å; N189-V193 WeakPolarHBondContact O-CB 3.43Å; N189-V193 VanDerWaalsContact O-CG2 3.22Å; N189-V193 WeakPolarHBondContact O-CG2 3.32Å; N189-V193 PolarHBondContact O-N 3.42Å; V193-H195 VanDerWaalsContact C-N 3.32Å
194R90.8Very high91.7Very high1 Ų131 Ų310%0.00416%0.162CC..THydrogen-bonded Turntrans-93.514.6-178.9-60.5-178.861.4-174.8-13.7113.1R123 V190 Q196 E197 V223 T226 R312 L314R123-R194 HydrophobicContact CB-CG 4.36Å; V190-R194 WeakPolarHBondContact O-CB 3.41Å; V190-R194 PolarHBondContact O-N 2.86Å; R194-Q196 PolarHBondContact O-N 2.89Å; R194-Q196 VanDerWaalsContact O-N 3.12Å; R194-E197 IonicContact CZ-OE1 2.81Å; R194-E197 IonicContact CZ-OE2 3.23Å; R194-E197 IonicContact NE-OE1 3.55Å; R194-E197 PolarHBondContact NE-OE1 3.21Å; R194-E197 IonicContact NE-OE2 3.24Å; R194-E197 IonicContact NH2-OE1 3.86Å; R194-E197 PolarHBondContact NH2-OE1 2.61Å; R194-E197 IonicContact NH2-OE2 2.72Å; R194-E197 PolarHBondContact NH2-OE2 2.97Å; R194-E197 WeakPolarHBondContact O-CB 3.43Å; R194-E197 PolarHBondContact O-N 3.4Å; R194-V223 HydrophobicContact CB-CG1 4.17Å; R194-V223 HydrophobicContact CB-CG2 3.89Å; R194-T226 PolarHBondContact NH1-OG1 2.8Å; R194-R312 PolarHBondContact NH1-O 3.22Å; R194-R312 PolarHBondContact NH2-O 3.48Å; R194-L314 PolarHBondContact NH1-O 2.92Å
195H90.3Very high91.3Very high75 Ų7530 Ų3035%0.34715%0.151SC..Hα-helixtrans-54.9-34.1-178.5-179.550.3000113.4L140 L191 T192 V193 E197 T198 E199L140-H195 HydrophobicContact CD1-CB 4.46Å; L191-H195 WeakPolarHBondContact O-CA 3.24Å; L191-H195 WeakPolarHBondContact O-CB 3.17Å; L191-H195 PolarHBondContact O-N 2.9Å; T192-H195 WeakPolarHBondContact O-CB 3.33Å; V193-H195 VanDerWaalsContact C-N 3.32Å; H195-E197 PolarHBondContact O-N 2.75Å; H195-T198 WeakPolarHBondContact O-CB 3.46Å; H195-T198 PolarHBondContact O-N 3.46Å; H195-T198 VanDerWaalsContact O-N 3.09Å; H195-E199 IonicContact CE1-OE1 2.71Å; H195-E199 IonicContact NE2-OE1 3.59Å; H195-E199 PolarHBondContact O-N 3.44Å
196Q87.3Confident90.8Very high40 Ų4030.2 Ų30.219%0.18715%0.153CC..Hα-helixtrans-56.6-35.9176.4-94.9-178.4-19.100113E130 Q137 R194 T198 E199 T200E130-Q196 PolarHBondContact OE1-NE2 2.85Å; E130-Q196 PolarHBondContact OE2-OE1 3.17Å; Q137-Q196 HydrophobicContact CG-CG 4.45Å; Q137-Q196 VanDerWaalsContact CG-NE2 3.31Å; R194-Q196 PolarHBondContact O-N 2.89Å; R194-Q196 VanDerWaalsContact O-N 3.12Å; Q196-T198 PolarHBondContact O-N 2.81Å; Q196-E199 PolarHBondContact O-N 2.71Å; Q196-E199 VanDerWaalsContact O-N 3.17Å; Q196-T200 PolarHBondContact O-N 3.39Å; Q196-T200 PolarHBondContact O-OG1 2.85Å
197E88.2Confident90.1Very high7 Ų732.2 Ų32.23%0.03317%0.166CC..Hα-helixtrans-66.2-30.1179.8-65.1178.5-134.600112.3R123 N124 R194 H195 G201 I202 V223R123-E197 WeakPolarHBondContact CA-OE1 3.25Å; R123-E197 VanDerWaalsContact CB-OE1 3.24Å; R123-E197 WeakPolarHBondContact CB-OE1 3.35Å; N124-E197 HydrophobicContact CB-CG 4.42Å; N124-E197 PolarHBondContact N-OE1 2.63Å; R194-E197 IonicContact CZ-OE1 2.81Å; R194-E197 IonicContact CZ-OE2 3.23Å; R194-E197 IonicContact NE-OE1 3.55Å; R194-E197 PolarHBondContact NE-OE1 3.21Å; R194-E197 IonicContact NE-OE2 3.24Å; R194-E197 IonicContact NH2-OE1 3.86Å; R194-E197 PolarHBondContact NH2-OE1 2.61Å; R194-E197 IonicContact NH2-OE2 2.72Å; R194-E197 PolarHBondContact NH2-OE2 2.97Å; R194-E197 WeakPolarHBondContact O-CB 3.43Å; R194-E197 PolarHBondContact O-N 3.4Å; H195-E197 PolarHBondContact O-N 2.75Å; E197-G201 CarbonylContact O-C 3.52Å; E197-G201 WeakPolarHBondContact O-CA 3.26Å; E197-G201 PolarHBondContact O-N 2.9Å; E197-I202 HydrophobicContact CB-CG2 3.89Å; E197-I202 HydrophobicContact CG-CG2 4.08Å; E197-V223 HydrophobicContact CB-CG2 3.85Å
198T89Confident89.1Confident39 Ų3935.2 Ų35.224%0.23918%0.183CC..Hα-helixtrans-72.4-40.4173.8-51.10000111H195 Q196 S220H195-T198 WeakPolarHBondContact O-CB 3.46Å; H195-T198 PolarHBondContact O-N 3.46Å; H195-T198 VanDerWaalsContact O-N 3.09Å; Q196-T198 PolarHBondContact O-N 2.81Å; T198-S220 WeakPolarHBondContact CG2-OG 3.31Å
199E88.1Confident88.3Confident107 Ų10730.2 Ų30.250%0.516%0.161SC..Hα-helixtrans-76.4-47.2-176.8-74.8-63.3141.500113.3H195 Q196 K216H195-E199 IonicContact CE1-OE1 2.71Å; H195-E199 IonicContact NE2-OE1 3.59Å; H195-E199 PolarHBondContact O-N 3.44Å; Q196-E199 PolarHBondContact O-N 2.71Å; Q196-E199 VanDerWaalsContact O-N 3.17Å; E199-K216 WeakPolarHBondContact O-CD 3.26Å; E199-K216 WeakPolarHBondContact O-CE 3.2Å; E199-K216 PolarHBondContact O-NZ 2.87Å
200T86.8Confident87.7Confident75 Ų7533.4 Ų33.446%0.4618%0.178SC..Hα-helixtrans-90.3-23.5-177.564.20000112.8Q196 V214Q196-T200 PolarHBondContact O-N 3.39Å; Q196-T200 PolarHBondContact O-OG1 2.85Å; T200-V214 VanDerWaalsContact O-CG1 3.31Å; T200-V214 WeakPolarHBondContact O-CG1 3.31Å
201G87.8Confident87.3Confident1 Ų137.5 Ų37.51%0.0121%0.205CC..  trans81.4174.2-170.800000113.4E197 V214 S215E197-G201 CarbonylContact O-C 3.52Å; E197-G201 WeakPolarHBondContact O-CA 3.26Å; E197-G201 PolarHBondContact O-N 2.9Å; G201-V214 VanDerWaalsContact C-CG1 3.49Å; G201-S215 CarbonylContact C-O 3.57Å; G201-S215 WeakPolarHBondContact CA-O 3.33Å
202I90.1Very high86.9Confident0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-124.2153.6179.665.2177.5000110.7N124 E197 V204 V214 S215 A218 A222 Y310N124-I202 HydrophobicContact CB-CB 4.37Å; N124-I202 HydrophobicContact CB-CG2 3.77Å; E197-I202 HydrophobicContact CB-CG2 3.89Å; E197-I202 HydrophobicContact CG-CG2 4.08Å; I202-V204 PolarHBondContact O-N 3.45Å; I202-V214 CarbonylContact O-C 3.58Å; I202-V214 WeakPolarHBondContact O-CA 3.38Å; I202-S215 PolarHBondContact N-O 3.26Å; I202-S215 PolarHBondContact O-N 2.93Å; I202-A218 HydrophobicContact CD1-CB 3.94Å; I202-A218 HydrophobicContact CG1-CB 3.81Å; I202-A222 HydrophobicContact CD1-CB 3.96Å; I202-Y310 HydrophobicContact CD1-CD2 3.33Å; I202-Y310 HydrophobicContact CD1-CE2 4.1Å; I202-Y310 HydrophobicContact CD1-CG 3.69Å
203Q89.1Confident86.6Confident38 Ų3836.6 Ų36.618%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-62.8128.9176.2-171.370.740.700111.5S126 F205 P211 G213S126-Q203 PolarHBondContact OG-N 3.2Å; Q203-F205 HydrophobicContact CB-CE2 4.12Å; Q203-F205 HydrophobicContact CB-CZ 4.25Å; Q203-F205 HydrophobicContact CG-CD2 4.47Å; Q203-F205 HydrophobicContact CG-CE1 4.14Å; Q203-F205 HydrophobicContact CG-CE2 3.77Å; Q203-F205 HydrophobicContact CG-CZ 3.59Å; Q203-P211 VanDerWaalsContact NE2-CB 3.34Å; Q203-G213 CarbonylContact C-O 3.59Å; Q203-G213 WeakPolarHBondContact CA-O 3.3Å; Q203-G213 VanDerWaalsContact CD-O 3.29Å; Q203-G213 PolarHBondContact NE2-O 3.32Å
204V89.1Confident86.5Confident0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-108.4149.3172.6-65.30000110.9I202 V212 G213 A218 L299 L308 I309I202-V204 PolarHBondContact O-N 3.45Å; V204-V212 HydrophobicContact CG2-CB 4.4Å; V204-V212 PolarHBondContact O-N 3.37Å; V204-G213 VanDerWaalsContact CG2-O 3.23Å; V204-G213 WeakPolarHBondContact CG2-O 3.4Å; V204-G213 PolarHBondContact N-O 2.93Å; V204-A218 HydrophobicContact CG1-CB 3.71Å; V204-L299 HydrophobicContact CG2-CD1 4.08Å; V204-L308 HydrophobicContact CB-CB 4.38Å; V204-L308 HydrophobicContact CB-CD1 4.45Å; V204-L308 HydrophobicContact CG2-CD1 4.16Å; V204-I309 CarbonylContact C-O 3.57Å; V204-I309 WeakPolarHBondContact CA-O 3.06Å
205F87.2Confident86.4Confident16 Ų1639.7 Ų39.77%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-127.3150.9-174.2-57.5-95.6000110.7D2 L5 Q203 N210 P211 L308 I309 H311D2-F205 HydrophobicContact CB-CD1 4.36Å; D2-F205 HydrophobicContact CB-CE1 4.06Å; L5-F205 HydrophobicContact CD1-CB 4.31Å; L5-F205 HydrophobicContact CD1-CD2 3.39Å; L5-F205 HydrophobicContact CD1-CE2 3.82Å; L5-F205 HydrophobicContact CD1-CG 3.92Å; Q203-F205 HydrophobicContact CB-CE2 4.12Å; Q203-F205 HydrophobicContact CB-CZ 4.25Å; Q203-F205 HydrophobicContact CG-CD2 4.47Å; Q203-F205 HydrophobicContact CG-CE1 4.14Å; Q203-F205 HydrophobicContact CG-CE2 3.77Å; Q203-F205 HydrophobicContact CG-CZ 3.59Å; F205-N210 CarbonylContact C-O 3.57Å; F205-N210 WeakPolarHBondContact CA-O 3.27Å; F205-P211 HydrophobicContact CD1-CB 4.28Å; F205-P211 HydrophobicContact CE1-CB 4.21Å; F205-L308 WeakPolarHBondContact O-CA 3.3Å; F205-L308 WeakPolarHBondContact O-CD2 3.4Å; F205-I309 PolarHBondContact N-O 3.15Å; F205-I309 PolarHBondContact O-N 3.5Å; F205-H311 AromaticContact CE2-CD2 3.91Å
206D85.8Confident86.5Confident15 Ų1541.2 Ų41.28%0.0823%0.228CC..  trans-73178171.774.93.1000111.6N208 G209 N210 V212D206-N208 PolarHBondContact O-N 2.99Å; D206-N208 VanDerWaalsContact O-N 3.16Å; D206-N208 VanDerWaalsContact OD1-CA 3.29Å; D206-N208 WeakPolarHBondContact OD1-CA 3.23Å; D206-N208 WeakPolarHBondContact OD1-CB 3.35Å; D206-N208 PolarHBondContact OD1-N 3.44Å; D206-G209 PolarHBondContact O-N 3.28Å; D206-G209 VanDerWaalsContact O-N 3.11Å; D206-G209 PolarHBondContact OD1-N 3.17Å; D206-N210 PolarHBondContact N-O 3.4Å; D206-N210 PolarHBondContact OD1-N 3.35Å; D206-N210 WeakPolarHBondContact OD2-CB 3.43Å; D206-N210 PolarHBondContact OD2-ND2 2.95Å; D206-V212 HydrophobicContact CB-CG2 3.84Å
207C80.6Confident86.6Confident48 Ų4840.9 Ų40.932%0.32423%0.232SC..THydrogen-bonded Turntrans-63.2-19.4178.355.50000114.2K9K9-C207 PolarHBondContact NZ-O 3Å; K9-C207 VanDerWaalsContact NZ-O 3.1Å
208N77.3Confident86.7Confident94 Ų9440.5 Ų40.550%0.50323%0.231SC..THydrogen-bonded Turntrans-95.60.4-180-57.1-39.7000112.2M1 D206M1-N208 VanDerWaalsContact CG-O 3.27Å; M1-N208 WeakPolarHBondContact CG-O 3.46Å; D206-N208 PolarHBondContact O-N 2.99Å; D206-N208 VanDerWaalsContact O-N 3.16Å; D206-N208 VanDerWaalsContact OD1-CA 3.29Å; D206-N208 WeakPolarHBondContact OD1-CA 3.23Å; D206-N208 WeakPolarHBondContact OD1-CB 3.35Å; D206-N208 PolarHBondContact OD1-N 3.44Å
209G77.5Confident86.8Confident0 Ų038.7 Ų38.70%022%0.219CC..SBendtrans78.421.6-179.600000114.7M1 D2 D206M1-G209 CarbonylContact C-O 3.58Å; M1-G209 VanDerWaalsContact CA-O 3.26Å; M1-G209 WeakPolarHBondContact CA-O 3.34Å; D2-G209 PolarHBondContact N-O 3.42Å; D206-G209 PolarHBondContact O-N 3.28Å; D206-G209 VanDerWaalsContact O-N 3.11Å; D206-G209 PolarHBondContact OD1-N 3.17Å
210N83.6Confident87.1Confident70 Ų7035.3 Ų35.337%0.37421%0.208SC..  trans-89.8138.6172.3-55.8-51.3000110.8F205 D206 V212F205-N210 CarbonylContact C-O 3.57Å; F205-N210 WeakPolarHBondContact CA-O 3.27Å; D206-N210 PolarHBondContact N-O 3.4Å; D206-N210 PolarHBondContact OD1-N 3.35Å; D206-N210 WeakPolarHBondContact OD2-CB 3.43Å; D206-N210 PolarHBondContact OD2-ND2 2.95Å; N210-V212 PolarHBondContact O-N 3.45Å
211P85.8Confident87.4Confident88 Ų8835.3 Ų35.357%0.57120%0.201SC*.EExtended strand (participates in β ladder)trans-67.5126.5178.927.8-33.3000110.8Q203 F205Q203-P211 VanDerWaalsContact NE2-CB 3.34Å; F205-P211 HydrophobicContact CD1-CB 4.28Å; F205-P211 HydrophobicContact CE1-CB 4.21Å
212V85.8Confident87.6Confident39 Ų3935.3 Ų35.324%0.23620%0.201CC..EExtended strand (participates in β ladder)trans-99.7-39.3178.2178.90000111V204 D206 N210 L299 A303 L308V204-V212 HydrophobicContact CG2-CB 4.4Å; V204-V212 PolarHBondContact O-N 3.37Å; D206-V212 HydrophobicContact CB-CG2 3.84Å; N210-V212 PolarHBondContact O-N 3.45Å; V212-L299 HydrophobicContact CG1-CD2 4.47Å; V212-A303 HydrophobicContact CG1-CB 4.33Å; V212-L308 HydrophobicContact CB-CD2 4.45Å; V212-L308 HydrophobicContact CG2-CD2 4Å
213G86.7Confident87.8Confident16 Ų1635.3 Ų35.317%0.16520%0.201CC..EExtended strand (participates in β ladder)trans164.1-160.5179.100000112.4Q203 V204Q203-G213 CarbonylContact C-O 3.59Å; Q203-G213 WeakPolarHBondContact CA-O 3.3Å; Q203-G213 VanDerWaalsContact CD-O 3.29Å; Q203-G213 PolarHBondContact NE2-O 3.32Å; V204-G213 VanDerWaalsContact CG2-O 3.23Å; V204-G213 WeakPolarHBondContact CG2-O 3.4Å; V204-G213 PolarHBondContact N-O 2.93Å
214V89.1Confident88.1Confident66 Ų6640.8 Ų40.840%0.422%0.22SC..EExtended strand (participates in β ladder)trans-115.6126.1-177.1179.40000110T200 G201 I202 L299T200-V214 VanDerWaalsContact O-CG1 3.31Å; T200-V214 WeakPolarHBondContact O-CG1 3.31Å; G201-V214 VanDerWaalsContact C-CG1 3.49Å; I202-V214 CarbonylContact O-C 3.58Å; I202-V214 WeakPolarHBondContact O-CA 3.38Å; V214-L299 WeakPolarHBondContact O-CD1 3.09Å
215S90Very high88.3Confident0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-119.6128.3-178.7178.20000112.5G201 I202 A217 A218 G219 E296G201-S215 CarbonylContact C-O 3.57Å; G201-S215 WeakPolarHBondContact CA-O 3.33Å; I202-S215 PolarHBondContact N-O 3.26Å; I202-S215 PolarHBondContact O-N 2.93Å; S215-A217 PolarHBondContact OG-N 2.9Å; S215-A218 PolarHBondContact OG-N 3.43Å; S215-G219 PolarHBondContact O-N 2.9Å; S215-E296 WeakPolarHBondContact CA-OE2 3.31Å; S215-E296 WeakPolarHBondContact CB-OE2 3.37Å; S215-E296 PolarHBondContact OG-OE1 3.36Å; S215-E296 PolarHBondContact OG-OE2 3.17Å
216K91.1Very high88.7Confident106 Ų10641.6 Ų41.646%0.46122%0.224SC..Hα-helixtrans-74.9-34.1172-57.6-170.9-176.5-1570112E199 G219 S220 E296E199-K216 WeakPolarHBondContact O-CD 3.26Å; E199-K216 WeakPolarHBondContact O-CE 3.2Å; E199-K216 PolarHBondContact O-NZ 2.87Å; K216-G219 PolarHBondContact O-N 2.98Å; K216-S220 WeakPolarHBondContact O-CB 3.18Å; K216-S220 PolarHBondContact O-N 2.67Å; K216-S220 PolarHBondContact O-OG 3.24Å; K216-E296 WeakPolarHBondContact CA-OE1 3.45Å; K216-E296 VanDerWaalsContact CB-OE1 3.32Å; K216-E296 WeakPolarHBondContact CB-OE1 3.3Å; K216-E296 PolarHBondContact N-OE1 2.83Å
217A90.5Very high89.2Confident33 Ų3340.9 Ų40.927%0.27322%0.22SC..Hα-helixtrans-62.4-44.6174.700000111.2S215 K221 I290 S294 E296S215-A217 PolarHBondContact OG-N 2.9Å; A217-K221 WeakPolarHBondContact O-CB 3.17Å; A217-K221 PolarHBondContact O-N 3.48Å; A217-I290 HydrophobicContact CB-CD1 4Å; A217-S294 WeakPolarHBondContact CB-O 3.47Å; A217-E296 PolarHBondContact N-OE1 2.98Å
218A90.7Very high89.9Confident0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-63.1-42174.200000111.9I202 V204 S215 K221 A222 I290 Y310I202-A218 HydrophobicContact CD1-CB 3.94Å; I202-A218 HydrophobicContact CG1-CB 3.81Å; V204-A218 HydrophobicContact CG1-CB 3.71Å; S215-A218 PolarHBondContact OG-N 3.43Å; A218-K221 PolarHBondContact O-N 2.95Å; A218-A222 WeakPolarHBondContact O-CB 3.34Å; A218-A222 PolarHBondContact O-N 3.31Å; A218-I290 HydrophobicContact CB-CD1 4.2Å; A218-I290 HydrophobicContact CB-CG2 4.4Å; A218-Y310 HydrophobicContact CB-CD1 3.83Å; A218-Y310 HydrophobicContact CB-CE1 4.2Å; A218-Y310 HydrophobicContact CB-CG 4.11Å
219G91.1Very high90.8Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-61.3-49.9177.100000112.2S215 K216 K221 A222 V223S215-G219 PolarHBondContact O-N 2.9Å; K216-G219 PolarHBondContact O-N 2.98Å; G219-K221 VanDerWaalsContact C-N 3.33Å; G219-K221 PolarHBondContact O-N 3.19Å; G219-A222 PolarHBondContact O-N 2.86Å; G219-V223 WeakPolarHBondContact O-CG2 3.4Å; G219-V223 PolarHBondContact O-N 2.68Å
220S92.6Very high91.7Very high36 Ų3638.5 Ų38.525%0.25220%0.204SC..Hα-helixtrans-56.6-47.6176.6-59.30000111.4T198 K216 V223 W224T198-S220 WeakPolarHBondContact CG2-OG 3.31Å; K216-S220 WeakPolarHBondContact O-CB 3.18Å; K216-S220 PolarHBondContact O-N 2.67Å; K216-S220 PolarHBondContact O-OG 3.24Å; S220-V223 PolarHBondContact O-N 3.23Å; S220-W224 WeakPolarHBondContact O-CB 3.3Å; S220-W224 VanDerWaalsContact O-CD1 3.26Å; S220-W224 PolarHBondContact O-N 3.46Å
221K93.3Very high92.3Very high76 Ų7635.9 Ų35.933%0.3319%0.191SC..Hα-helixtrans-61.2-45.9177.6-176.5177.9172.6179.80111.9A217 A218 G219 V223 W224 E225 T289 Y310A217-K221 WeakPolarHBondContact O-CB 3.17Å; A217-K221 PolarHBondContact O-N 3.48Å; A218-K221 PolarHBondContact O-N 2.95Å; G219-K221 VanDerWaalsContact C-N 3.33Å; G219-K221 PolarHBondContact O-N 3.19Å; K221-V223 PolarHBondContact O-N 3.02Å; K221-W224 PolarHBondContact O-N 3.46Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.42Å; K221-E225 IonicContact NZ-OE1 3.97Å; K221-E225 WeakPolarHBondContact O-CB 3.4Å; K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 3.12Å; K221-T289 PolarHBondContact NZ-O 2.89Å; K221-Y310 WeakPolarHBondContact CD-OH 3.39Å; K221-Y310 WeakPolarHBondContact CG-OH 3.48Å
222A92.1Very high92.8Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-59.5-45.2179.500000112.4I202 A218 G219 T226 Y310 R312I202-A222 HydrophobicContact CD1-CB 3.96Å; A218-A222 WeakPolarHBondContact O-CB 3.34Å; A218-A222 PolarHBondContact O-N 3.31Å; G219-A222 PolarHBondContact O-N 2.86Å; A222-T226 WeakPolarHBondContact O-CB 3.17Å; A222-T226 PolarHBondContact O-N 2.8Å; A222-T226 PolarHBondContact O-OG1 3.03Å; A222-Y310 HydrophobicContact CB-CD2 4.2Å; A222-Y310 HydrophobicContact CB-CE2 3.65Å; A222-R312 HydrophobicContact CB-CG 4.12Å
223V94.4Very high93.3Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-66.2-44.3178.81790000110.5V190 L191 R194 E197 G219 S220 K221 T226 A227V190-V223 HydrophobicContact CG1-CG1 4.25Å; L191-V223 HydrophobicContact CD2-CG1 3.88Å; R194-V223 HydrophobicContact CB-CG1 4.17Å; R194-V223 HydrophobicContact CB-CG2 3.89Å; E197-V223 HydrophobicContact CB-CG2 3.85Å; G219-V223 WeakPolarHBondContact O-CG2 3.4Å; G219-V223 PolarHBondContact O-N 2.68Å; S220-V223 PolarHBondContact O-N 3.23Å; K221-V223 PolarHBondContact O-N 3.02Å; V223-T226 PolarHBondContact O-N 3.02Å; V223-A227 VanDerWaalsContact O-CB 3.29Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 3.49Å
224W95.4Very high93.8Very high153 Ų15332.2 Ų32.258%0.5816%0.163SC*.Hα-helixtrans-61.9-46.9178.4-93.994.5000113.2F187 S220 K221 T226 A227 L228F187-W224 HydrophobicContact CE1-CH2 4.34Å; F187-W224 HydrophobicContact CE1-CZ3 4.29Å; F187-W224 AromaticContact CE2-CE3 3.92Å; F187-W224 HydrophobicContact CE2-CE3 3.92Å; F187-W224 AromaticContact CE2-CZ3 3.92Å; F187-W224 HydrophobicContact CE2-CZ3 3.92Å; F187-W224 HydrophobicContact CZ-CD2 4.27Å; F187-W224 AromaticContact CZ-CE3 3.58Å; F187-W224 HydrophobicContact CZ-CE3 3.58Å; F187-W224 AromaticContact CZ-CH2 3.71Å; F187-W224 HydrophobicContact CZ-CH2 3.71Å; F187-W224 HydrophobicContact CZ-CZ2 4.37Å; F187-W224 AromaticContact CZ-CZ3 3.29Å; F187-W224 HydrophobicContact CZ-CZ3 3.29Å; S220-W224 WeakPolarHBondContact O-CB 3.3Å; S220-W224 VanDerWaalsContact O-CD1 3.26Å; S220-W224 PolarHBondContact O-N 3.46Å; K221-W224 PolarHBondContact O-N 3.46Å; W224-T226 VanDerWaalsContact C-N 3.31Å; W224-T226 PolarHBondContact O-N 3.22Å; W224-A227 PolarHBondContact O-N 3.2Å; W224-L228 WeakPolarHBondContact O-CB 3.34Å; W224-L228 PolarHBondContact O-N 3.49Å
225E94.6Very high94.1Very high34 Ų3429.6 Ų29.616%0.15915%0.149CC..Hα-helixtrans-61.7-41.1176.4-73.4177.9168.900111.3K221 S229 F284K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.42Å; K221-E225 IonicContact NZ-OE1 3.97Å; K221-E225 WeakPolarHBondContact O-CB 3.4Å; K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 3.12Å; E225-S229 PolarHBondContact O-N 3.37Å; E225-F284 HydrophobicContact CB-CB 4.33Å; E225-F284 HydrophobicContact CB-CD1 3.97Å; E225-F284 HydrophobicContact CB-CD2 3.88Å; E225-F284 HydrophobicContact CB-CE1 4.24Å; E225-F284 HydrophobicContact CB-CE2 4.16Å; E225-F284 HydrophobicContact CB-CG 3.79Å; E225-F284 HydrophobicContact CB-CZ 4.34Å; E225-F284 HydrophobicContact CG-CD1 3.74Å; E225-F284 HydrophobicContact CG-CE1 3.86Å; E225-F284 HydrophobicContact CG-CG 4.1Å; E225-F284 HydrophobicContact CG-CZ 4.32Å; E225-F284 VanDerWaalsContact O-CD2 3.24Å; E225-F284 WeakPolarHBondContact O-CD2 3.24Å; E225-F284 WeakPolarHBondContact O-CE2 3.11Å
226T94.5Very high94.3Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-64.4-49.5175.8-54.60000110.8V190 R194 A222 V223 W224 L228 S229 R230 L314V190-T226 HydrophobicContact CG1-CG2 3.87Å; V190-T226 HydrophobicContact CG2-CG2 4.49Å; R194-T226 PolarHBondContact NH1-OG1 2.8Å; A222-T226 WeakPolarHBondContact O-CB 3.17Å; A222-T226 PolarHBondContact O-N 2.8Å; A222-T226 PolarHBondContact O-OG1 3.03Å; V223-T226 PolarHBondContact O-N 3.02Å; W224-T226 VanDerWaalsContact C-N 3.31Å; W224-T226 PolarHBondContact O-N 3.22Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.15Å; T226-S229 PolarHBondContact O-N 3.33Å; T226-S229 VanDerWaalsContact O-N 3.1Å; T226-S229 PolarHBondContact O-OG 3.5Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-N 3.31Å; T226-L314 VanDerWaalsContact CG2-OXT 3.31Å; T226-L314 WeakPolarHBondContact CG2-OXT 3.49Å
227A96.1Very high94.5Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-57.9-43.8179.800000111.4F187 V190 L191 V223 W224 R230 A231F187-A227 VanDerWaalsContact CD2-C 3.48Å; F187-A227 HydrophobicContact CD2-CB 3.47Å; F187-A227 VanDerWaalsContact CD2-CB 3.47Å; F187-A227 HydrophobicContact CE2-CB 3.48Å; F187-A227 VanDerWaalsContact CE2-CB 3.48Å; F187-A227 HydrophobicContact CG-CB 4.12Å; F187-A227 HydrophobicContact CZ-CB 4.16Å; V190-A227 HydrophobicContact CB-CB 3.91Å; V190-A227 HydrophobicContact CG1-CB 3.94Å; L191-A227 HydrophobicContact CD2-CB 4.5Å; L191-A227 HydrophobicContact CG-CB 4.27Å; V223-A227 VanDerWaalsContact O-CB 3.29Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 3.49Å; W224-A227 PolarHBondContact O-N 3.2Å; A227-R230 PolarHBondContact O-N 3.49Å; A227-A231 WeakPolarHBondContact O-CB 3.35Å; A227-A231 PolarHBondContact O-N 3.48Å
228L96.8Very high94.6Very high86 Ų8625.2 Ų25.245%0.4513%0.128SC..Hα-helixtrans-63-43176.4-175.662.3000111.7W224 T226 R230 A231 V232 F284W224-L228 WeakPolarHBondContact O-CB 3.34Å; W224-L228 PolarHBondContact O-N 3.49Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.15Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.37Å; L228-A231 WeakPolarHBondContact O-CB 3.47Å; L228-A231 PolarHBondContact O-N 2.83Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.43Å; L228-F284 HydrophobicContact CB-CE2 4.35Å; L228-F284 HydrophobicContact CD2-CE2 4.31Å; L228-F284 HydrophobicContact CD2-CZ 3.79Å; L228-F284 HydrophobicContact CG-CE2 4.5Å; L228-F284 HydrophobicContact CG-CZ 4.45Å
229S95.6Very high94.7Very high0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-61.2-38.1177.473.50000112.6E225 T226 L233 S280E225-S229 PolarHBondContact O-N 3.37Å; T226-S229 PolarHBondContact O-N 3.33Å; T226-S229 VanDerWaalsContact O-N 3.1Å; T226-S229 PolarHBondContact O-OG 3.5Å; S229-L233 PolarHBondContact O-N 3.38Å; S229-S280 VanDerWaalsContact C-OG 3.3Å; S229-S280 WeakPolarHBondContact CB-O 3.26Å; S229-S280 PolarHBondContact O-OG 2.99Å
230R95.8Very high94.8Very high6 Ų628.8 Ų28.82%0.02315%0.151CC..Hα-helixtrans-71.7-37.8175.6-60-50.8178.6160.8-15.7112.3Y83 A186 V190 T226 A227 L228 V232 L233 F234 L314Y83-R230 PolarHBondContact OH-NH1 3.34Å; A186-R230 HydrophobicContact CB-CB 4.08Å; V190-R230 HydrophobicContact CG2-CB 4.16Å; V190-R230 HydrophobicContact CG2-CG 3.69Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-N 3.31Å; A227-R230 PolarHBondContact O-N 3.49Å; L228-R230 VanDerWaalsContact C-N 3.29Å; L228-R230 PolarHBondContact O-N 3.37Å; R230-V232 VanDerWaalsContact C-N 3.33Å; R230-V232 PolarHBondContact O-N 3Å; R230-L233 WeakPolarHBondContact O-CB 3.19Å; R230-L233 PolarHBondContact O-N 3.37Å; R230-F234 WeakPolarHBondContact O-CD2 3.29Å; R230-F234 PolarHBondContact O-N 2.85Å; R230-L314 PolarHBondContact NE-OXT 3.29Å; R230-L314 PolarHBondContact NH2-OXT 2.89Å
231A96.8Very high94.7Very high14 Ų1427 Ų2712%0.11614%0.139CC..Hα-helixtrans-58.8-45.8173.600000111.4A183 F187 A227 L228 G235A183-A231 HydrophobicContact CB-CB 4.28Å; A183-A231 WeakPolarHBondContact CB-O 3.36Å; A183-A231 WeakPolarHBondContact O-CA 3.38Å; A183-A231 WeakPolarHBondContact O-CB 3.34Å; F187-A231 HydrophobicContact CB-CB 4.03Å; F187-A231 HydrophobicContact CD2-CB 4.28Å; A227-A231 WeakPolarHBondContact O-CB 3.35Å; A227-A231 PolarHBondContact O-N 3.48Å; L228-A231 WeakPolarHBondContact O-CB 3.47Å; L228-A231 PolarHBondContact O-N 2.83Å; A231-G235 WeakPolarHBondContact O-CA 3.41Å; A231-G235 PolarHBondContact O-N 2.9Å
232V96.6Very high94.4Very high52 Ų5224 Ų2432%0.31513%0.127SC..Hα-helixtrans-63-44.5176.3173.80000110.9L228 R230 T236 M276 L283L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.43Å; R230-V232 VanDerWaalsContact C-N 3.33Å; R230-V232 PolarHBondContact O-N 3Å; V232-T236 HydrophobicContact CG1-CG2 4.19Å; V232-T236 VanDerWaalsContact O-CB 3.32Å; V232-T236 WeakPolarHBondContact O-CB 3.41Å; V232-T236 VanDerWaalsContact O-CG2 3.23Å; V232-T236 WeakPolarHBondContact O-CG2 3.28Å; V232-T236 PolarHBondContact O-N 3.3Å; V232-T236 PolarHBondContact O-OG1 3.47Å; V232-M276 HydrophobicContact CG1-CE 4.04Å; V232-L283 HydrophobicContact CB-CD1 4.09Å; V232-L283 HydrophobicContact CG1-CD1 4.07Å; V232-L283 HydrophobicContact CG2-CD1 4.35Å
233L96.6Very high94.1Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-56.5-57.4178176.257.9000112.6Y83 S229 R230 T236 T237 L273 M276 I277Y83-L233 HydrophobicContact CE1-CD2 3.99Å; S229-L233 PolarHBondContact O-N 3.38Å; R230-L233 WeakPolarHBondContact O-CB 3.19Å; R230-L233 PolarHBondContact O-N 3.37Å; L233-T236 PolarHBondContact O-OG1 2.63Å; L233-T236 VanDerWaalsContact O-OG1 3.06Å; L233-T237 VanDerWaalsContact O-CB 3.3Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.39Å; L233-T237 VanDerWaalsContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.32Å; L233-L273 HydrophobicContact CD1-CD1 3.97Å; L233-L273 HydrophobicContact CG-CD1 4.35Å; L233-M276 HydrophobicContact CD1-CB 3.58Å; L233-I277 HydrophobicContact CD1-CG1 4.01Å; L233-I277 HydrophobicContact CD2-CG1 4.38Å
234F95.8Very high93.8Very high15 Ų1532.8 Ų32.87%0.06617%0.173CC..Hα-helixtrans-75.3-34.1-175.7-76.2-79.8000112.4Y83 V91 L111 N115 A186 R230 T237 A238Y83-F234 WeakPolarHBondContact OH-CE2 3.28Å; Y83-F234 WeakPolarHBondContact OH-CZ 3.32Å; V91-F234 HydrophobicContact CG2-CD1 4.38Å; V91-F234 HydrophobicContact CG2-CE1 3.65Å; L111-F234 HydrophobicContact CD1-CE1 4.3Å; N115-F234 WeakPolarHBondContact ND2-CZ 3.43Å; N115-F234 WeakPolarHBondContact OD1-CZ 3.12Å; A186-F234 HydrophobicContact CB-CB 3.95Å; A186-F234 HydrophobicContact CB-CD2 3.42Å; A186-F234 VanDerWaalsContact CB-CD2 3.42Å; A186-F234 HydrophobicContact CB-CE2 4.23Å; A186-F234 HydrophobicContact CB-CG 3.95Å; R230-F234 WeakPolarHBondContact O-CD2 3.29Å; R230-F234 PolarHBondContact O-N 2.85Å; F234-T237 PolarHBondContact O-N 3.33Å; F234-A238 WeakPolarHBondContact O-CB 3.47Å; F234-A238 PolarHBondContact O-N 3.01Å
235G95.3Very high93.3Very high10 Ų1026.5 Ų26.510%0.10315%0.151CC..Hα-helixtrans-63.1-47.8175.700000112.5A231 A238 G239A231-G235 WeakPolarHBondContact O-CA 3.41Å; A231-G235 PolarHBondContact O-N 2.9Å; G235-A238 PolarHBondContact O-N 3.33Å; G235-G239 PolarHBondContact O-N 3.29Å
236T94.9Very high92.8Very high42 Ų4229.1 Ų29.126%0.25817%0.166SC..Hα-helixtrans-66.2-40.9176.8540000111.9V232 L233 A238 G239 V240 M276V232-T236 HydrophobicContact CG1-CG2 4.19Å; V232-T236 VanDerWaalsContact O-CB 3.32Å; V232-T236 WeakPolarHBondContact O-CB 3.41Å; V232-T236 VanDerWaalsContact O-CG2 3.23Å; V232-T236 WeakPolarHBondContact O-CG2 3.28Å; V232-T236 PolarHBondContact O-N 3.3Å; V232-T236 PolarHBondContact O-OG1 3.47Å; L233-T236 PolarHBondContact O-OG1 2.63Å; L233-T236 VanDerWaalsContact O-OG1 3.06Å; T236-A238 VanDerWaalsContact C-N 3.29Å; T236-A238 PolarHBondContact O-N 2.9Å; T236-G239 PolarHBondContact O-N 3.09Å; T236-G239 VanDerWaalsContact O-N 3.15Å; T236-V240 WeakPolarHBondContact O-CG2 3.42Å; T236-V240 PolarHBondContact O-N 3.14Å; T236-M276 HydrophobicContact CG2-CE 4.21Å; T236-M276 WeakPolarHBondContact OG1-CG 3.43Å
237T95.2Very high92.4Very high1 Ų135.8 Ų35.81%0.00620%0.195CC..Hα-helixtrans-61.2-35.8176-58.80000112.5V91 L233 F234 P241 V269 L273V91-T237 HydrophobicContact CG1-CG2 3.77Å; L233-T237 VanDerWaalsContact O-CB 3.3Å; L233-T237 WeakPolarHBondContact O-CB 3.31Å; L233-T237 PolarHBondContact O-N 3.39Å; L233-T237 VanDerWaalsContact O-N 3.11Å; L233-T237 PolarHBondContact O-OG1 3.32Å; F234-T237 PolarHBondContact O-N 3.33Å; T237-P241 WeakPolarHBondContact O-CD 3.46Å; T237-P241 VanDerWaalsContact O-CG 3.25Å; T237-P241 WeakPolarHBondContact O-CG 3.43Å; T237-V269 HydrophobicContact CG2-CG1 4Å; T237-L273 HydrophobicContact CG2-CB 3.82Å; T237-L273 HydrophobicContact CG2-CD1 4.07Å; T237-L273 HydrophobicContact CG2-CG 4.48Å
238A93.1Very high91.8Very high5 Ų537.4 Ų37.44%0.04120%0.203CC..Hα-helixtrans-77.3-33.917400000112.9L95 I179 F234 G235 T236 N242L95-A238 HydrophobicContact CD2-CB 4.44Å; I179-A238 HydrophobicContact CG1-CB 4.45Å; F234-A238 WeakPolarHBondContact O-CB 3.47Å; F234-A238 PolarHBondContact O-N 3.01Å; G235-A238 PolarHBondContact O-N 3.33Å; T236-A238 VanDerWaalsContact C-N 3.29Å; T236-A238 PolarHBondContact O-N 2.9Å; A238-N242 PolarHBondContact O-ND2 2.84Å
239G92.4Very high91.2Very high7 Ų737.9 Ų37.97%0.07220%0.203CC..Hα-helixtrans-83.2-51.3-172.800000115.3G235 T236 N242 L243G235-G239 PolarHBondContact O-N 3.29Å; T236-G239 PolarHBondContact O-N 3.09Å; T236-G239 VanDerWaalsContact O-N 3.15Å; G239-N242 PolarHBondContact O-N 2.84Å; G239-N242 VanDerWaalsContact O-N 3.16Å; G239-L243 PolarHBondContact O-N 2.73Å; G239-L243 VanDerWaalsContact O-N 3.11Å
240V93.1Very high90.6Very high67 Ų6747.3 Ų47.341%0.40624%0.239SC..Hα-helixtrans-59.8-45.4-172.4175.30000112.3T236 N242 L243 L244 V272T236-V240 WeakPolarHBondContact O-CG2 3.42Å; T236-V240 PolarHBondContact O-N 3.14Å; V240-N242 VanDerWaalsContact C-N 3.3Å; V240-N242 PolarHBondContact O-N 3.11Å; V240-L243 PolarHBondContact O-N 2.76Å; V240-L244 WeakPolarHBondContact O-CB 3.5Å; V240-L244 PolarHBondContact O-N 3.21Å; V240-V272 HydrophobicContact CB-CG1 4.11Å; V240-V272 HydrophobicContact CB-CG2 3.97Å; V240-V272 HydrophobicContact CG1-CG2 3.66Å; V240-V272 HydrophobicContact CG2-CG1 4.43Å
241P90.1Very high90.1Very high0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-62.4-34.9178.1-25.637.9000113.3T237 L244 V245 V269 V272T237-P241 WeakPolarHBondContact O-CD 3.46Å; T237-P241 VanDerWaalsContact O-CG 3.25Å; T237-P241 WeakPolarHBondContact O-CG 3.43Å; P241-L244 PolarHBondContact O-N 3.22Å; P241-V245 WeakPolarHBondContact O-CB 3.28Å; P241-V245 VanDerWaalsContact O-CG2 3.25Å; P241-V245 WeakPolarHBondContact O-CG2 3.45Å; P241-V245 PolarHBondContact O-N 3.43Å; P241-V269 HydrophobicContact CB-CG2 3.75Å; P241-V269 HydrophobicContact CG-CB 4.26Å; P241-V269 HydrophobicContact CG-CG2 3.63Å; P241-V272 HydrophobicContact CG-CB 4.47Å; P241-V272 HydrophobicContact CG-CG2 4.23Å
242N86.5Confident89.3Confident13 Ų1359.3 Ų59.37%0.0729%0.29CS..Hα-helixtrans-69.4-40.3177.7-68.7-21.6000111.1S175 A238 G239 V240 V245 L246 R265S175-N242 PolarHBondContact O-ND2 3.28Å; A238-N242 PolarHBondContact O-ND2 2.84Å; G239-N242 PolarHBondContact O-N 2.84Å; G239-N242 VanDerWaalsContact O-N 3.16Å; V240-N242 VanDerWaalsContact C-N 3.3Å; V240-N242 PolarHBondContact O-N 3.11Å; N242-V245 PolarHBondContact O-N 3.32Å; N242-L246 WeakPolarHBondContact O-CG 3.27Å; N242-L246 PolarHBondContact O-N 2.95Å; N242-L246 VanDerWaalsContact O-N 3.08Å; N242-R265 PolarHBondContact OD1-NE 3.48Å; N242-R265 PolarHBondContact OD1-NH2 2.83Å
243L87.3Confident88.7Confident117 Ų11762.4 Ų62.461%0.61330%0.299SS*.Hα-helixtrans-63.9-41.5173.7-66.3176.3000111.8G239 V240 L246 F247G239-L243 PolarHBondContact O-N 2.73Å; G239-L243 VanDerWaalsContact O-N 3.11Å; V240-L243 PolarHBondContact O-N 2.76Å; L243-L246 PolarHBondContact O-N 3.42Å; L243-F247 PolarHBondContact O-N 3.3Å
244L87.4Confident88Confident67 Ų6763.9 Ų63.935%0.35131%0.305SS..Hα-helixtrans-61.9-46.2176.4-175.370.1000111.2V240 P241 L246 F247 L248 S268V240-L244 WeakPolarHBondContact O-CB 3.5Å; V240-L244 PolarHBondContact O-N 3.21Å; P241-L244 PolarHBondContact O-N 3.22Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-F247 WeakPolarHBondContact O-CB 3.4Å; L244-F247 PolarHBondContact O-N 2.93Å; L244-F247 VanDerWaalsContact O-N 3.11Å; L244-L248 HydrophobicContact CD1-CG 4.47Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 4.01Å; L244-L248 HydrophobicContact CG-CG 4.26Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 3.46Å; L244-S268 WeakPolarHBondContact CD2-OG 3.34Å
245V84.9Confident87.2Confident20 Ų2069.2 Ų69.212%0.12133%0.331CS..Hα-helixtrans-57.1-44.3176161.90000111.4P241 N242 F247 L248 Q249 M261 R265P241-V245 WeakPolarHBondContact O-CB 3.28Å; P241-V245 VanDerWaalsContact O-CG2 3.25Å; P241-V245 WeakPolarHBondContact O-CG2 3.45Å; P241-V245 PolarHBondContact O-N 3.43Å; N242-V245 PolarHBondContact O-N 3.32Å; V245-F247 VanDerWaalsContact C-N 3.29Å; V245-F247 PolarHBondContact O-N 3.35Å; V245-L248 PolarHBondContact O-N 2.98Å; V245-Q249 VanDerWaalsContact O-CG 3.3Å; V245-Q249 WeakPolarHBondContact O-CG 3.46Å; V245-Q249 PolarHBondContact O-N 2.89Å; V245-M261 HydrophobicContact CB-CE 4.14Å; V245-M261 HydrophobicContact CG1-CE 3.58Å; V245-M261 HydrophobicContact CG2-CE 4.26Å; V245-R265 HydrophobicContact CG2-CB 3.77Å; V245-R265 HydrophobicContact CG2-CG 3.93Å
246L83.8Confident86.6Confident89 Ų8979.3 Ų79.347%0.46637%0.366SS..Hα-helixtrans-61.7-37.1176.6-70.5171.8000112.4N242 L243 L244N242-L246 WeakPolarHBondContact O-CG 3.27Å; N242-L246 PolarHBondContact O-N 2.95Å; N242-L246 VanDerWaalsContact O-N 3.08Å; L243-L246 PolarHBondContact O-N 3.42Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å
247F85.7Confident86Confident140 Ų14080.4 Ų80.461%0.61437%0.37SS*.Hα-helixtrans-69.7-46.1175.3-175.1-97000111.8L243 L244 V245 Q249 R250L243-F247 PolarHBondContact O-N 3.3Å; L244-F247 WeakPolarHBondContact O-CB 3.4Å; L244-F247 PolarHBondContact O-N 2.93Å; L244-F247 VanDerWaalsContact O-N 3.11Å; V245-F247 VanDerWaalsContact C-N 3.29Å; V245-F247 PolarHBondContact O-N 3.35Å; F247-Q249 VanDerWaalsContact C-N 3.31Å; F247-Q249 PolarHBondContact O-N 2.76Å; F247-R250 WeakPolarHBondContact O-CB 3.32Å; F247-R250 PolarHBondContact O-N 2.88Å; F247-R250 VanDerWaalsContact O-N 3.13Å
248L85.3Confident85.1Confident34 Ų3484.5 Ų84.518%0.17840%0.398CS..Hα-helixtrans-63.1-35.1-180-67.4177.1000112.5L244 V245 R250 S251 F254 M261 C264L244-L248 HydrophobicContact CD1-CG 4.47Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 4.01Å; L244-L248 HydrophobicContact CG-CG 4.26Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.39Å; L244-L248 PolarHBondContact O-N 3.46Å; V245-L248 PolarHBondContact O-N 2.98Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-R250 VanDerWaalsContact O-N 3.16Å; L248-S251 WeakPolarHBondContact O-CB 3.47Å; L248-S251 PolarHBondContact O-N 3.16Å; L248-F254 HydrophobicContact CB-CD2 4.02Å; L248-F254 HydrophobicContact CB-CE2 4.26Å; L248-F254 HydrophobicContact CB-CG 4.24Å; L248-F254 HydrophobicContact CD1-CE1 4.5Å; L248-F254 HydrophobicContact CD1-CE2 4.33Å; L248-F254 HydrophobicContact CD1-CZ 4.12Å; L248-F254 HydrophobicContact CD2-CD2 4.14Å; L248-F254 HydrophobicContact CD2-CE2 3.7Å; L248-F254 HydrophobicContact CD2-CZ 4.26Å; L248-F254 HydrophobicContact CG-CE2 4.3Å; L248-F254 WeakPolarHBondContact O-CB 3.29Å; L248-M261 HydrophobicContact CB-CE 4.25Å; L248-M261 HydrophobicContact CB-SD 4.44Å; L248-C264 HydrophobicContact CD1-CB 4.49Å
249Q82.8Confident84.6Confident97 Ų9791.8 Ų91.845%0.45344%0.436SS..THydrogen-bonded Turntrans-60.9-21.2175.8-77.9177.3-1600114.1V245 F247 S251 Q255 M261V245-Q249 VanDerWaalsContact O-CG 3.3Å; V245-Q249 WeakPolarHBondContact O-CG 3.46Å; V245-Q249 PolarHBondContact O-N 2.89Å; F247-Q249 VanDerWaalsContact C-N 3.31Å; F247-Q249 PolarHBondContact O-N 2.76Å; Q249-S251 VanDerWaalsContact C-N 3.28Å; Q249-Q255 WeakPolarHBondContact O-CG 3.44Å; Q249-Q255 PolarHBondContact O-NE2 3.17Å; Q249-M261 HydrophobicContact CG-CE 3.54Å; Q249-M261 HydrophobicContact CG-SD 4.37Å
250R83.9Confident84.2Confident198 Ų19894.9 Ų94.975%0.74745%0.45SS*.THydrogen-bonded Turntrans-75.8-18.3174.7-62.6-179.2177.9175.2-1.2112.6F247 L248F247-R250 WeakPolarHBondContact O-CB 3.32Å; F247-R250 PolarHBondContact O-N 2.88Å; F247-R250 VanDerWaalsContact O-N 3.13Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-R250 VanDerWaalsContact O-N 3.16Å
251S84.8Confident83.7Confident54 Ų5492.9 Ų92.938%0.37844%0.437SS..SBendtrans-81.1134.9-179.5-179.80000112L248 Q249 F253 F254 Q255L248-S251 WeakPolarHBondContact O-CB 3.47Å; L248-S251 PolarHBondContact O-N 3.16Å; Q249-S251 VanDerWaalsContact C-N 3.28Å; S251-F253 PolarHBondContact O-N 3.03Å; S251-F254 PolarHBondContact O-N 2.71Å; S251-Q255 WeakPolarHBondContact O-CG 3.46Å; S251-Q255 PolarHBondContact O-N 3.23Å; S251-Q255 VanDerWaalsContact O-N 3.15Å
252R81.1Confident83.3Confident218 Ų21895.4 Ų95.482%0.82346%0.457SS*.Hα-helixtrans-58.2-29.9177.8-67-175.4179.5-178.90.1113R256R252-R256 PolarHBondContact O-N 2.72Å
253F82.4Confident83.4Confident117 Ų11797.4 Ų97.451%0.51347%0.472SS..Hα-helixtrans-64.2-47.3178.3179.1-98.7000112S251 R256 N257 L260S251-F253 PolarHBondContact O-N 3.03Å; F253-R256 PolarHBondContact O-N 2.91Å; F253-N257 PolarHBondContact O-N 3.48Å; F253-N257 VanDerWaalsContact O-N 3.08Å; F253-L260 HydrophobicContact CE1-CD1 3.85Å; F253-L260 HydrophobicContact CZ-CD1 4.06Å
254F82.2Confident83.4Confident31 Ų3193.5 Ų93.514%0.13645%0.454CS..Hα-helixtrans-76.7-26-179-80.6-78000113.1L248 S251 R256 N257 S258 L260 M261 C264L248-F254 HydrophobicContact CB-CD2 4.02Å; L248-F254 HydrophobicContact CB-CE2 4.26Å; L248-F254 HydrophobicContact CB-CG 4.24Å; L248-F254 HydrophobicContact CD1-CE1 4.5Å; L248-F254 HydrophobicContact CD1-CE2 4.33Å; L248-F254 HydrophobicContact CD1-CZ 4.12Å; L248-F254 HydrophobicContact CD2-CD2 4.14Å; L248-F254 HydrophobicContact CD2-CE2 3.7Å; L248-F254 HydrophobicContact CD2-CZ 4.26Å; L248-F254 HydrophobicContact CG-CE2 4.3Å; L248-F254 WeakPolarHBondContact O-CB 3.29Å; S251-F254 PolarHBondContact O-N 2.71Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-N257 CarbonylContact O-C 3.52Å; F254-N257 PolarHBondContact O-N 2.93Å; F254-S258 PolarHBondContact O-N 3.46Å; F254-L260 HydrophobicContact CD1-CB 4.37Å; F254-L260 HydrophobicContact CE1-CB 4.11Å; F254-M261 HydrophobicContact CB-SD 3.74Å; F254-M261 HydrophobicContact CD1-CG 4.32Å; F254-M261 HydrophobicContact CD1-SD 3.28Å; F254-M261 WeakPolarHBondContact CD1-SD 3.45Å; F254-M261 HydrophobicContact CE1-SD 4.1Å; F254-M261 HydrophobicContact CG-SD 3.76Å; F254-C264 HydrophobicContact CE1-CB 4.43Å
255Q79.7Confident83.4Confident127 Ų12792.3 Ų92.359%0.59344%0.444SS*.Hα-helixtrans-64.8-36.6169.4-70.1176.5-1.400111.9Q249 S251Q249-Q255 WeakPolarHBondContact O-CG 3.44Å; Q249-Q255 PolarHBondContact O-NE2 3.17Å; S251-Q255 WeakPolarHBondContact O-CG 3.46Å; S251-Q255 PolarHBondContact O-N 3.23Å; S251-Q255 VanDerWaalsContact O-N 3.15Å
256R82.2Confident83.6Confident222 Ų22293.2 Ų93.284%0.83845%0.447SS*.Hα-helixtrans-76.3-33.1177.7-165.4166.1-179.5151.8-1.4112.6R252 F253 F254R252-R256 PolarHBondContact O-N 2.72Å; F253-R256 PolarHBondContact O-N 2.91Å; F254-R256 VanDerWaalsContact C-N 3.31Å
257N82.1Confident84Confident65 Ų6594.4 Ų94.435%0.34845%0.453SS..  trans-116.864.8-177.1-65.8-18.8000111.8F253 F254 L259 L260F253-N257 PolarHBondContact O-N 3.48Å; F253-N257 VanDerWaalsContact O-N 3.08Å; F254-N257 CarbonylContact O-C 3.52Å; F254-N257 PolarHBondContact O-N 2.93Å; N257-L259 PolarHBondContact O-N 3.35Å; N257-L259 VanDerWaalsContact O-N 3.14Å; N257-L260 HydrophobicContact CB-CD1 3.69Å; N257-L260 HydrophobicContact CB-CG 4.09Å; N257-L260 WeakPolarHBondContact O-CB 3.18Å; N257-L260 PolarHBondContact O-N 3.21Å
258S76.3Confident84.3Confident86 Ų8688.6 Ų88.660%0.60143%0.43SS*.G310 helixtrans-59.3-26.6-177.160.60000114.1F254 L260 M261F254-S258 PolarHBondContact O-N 3.46Å; S258-L260 PolarHBondContact O-N 3.3Å; S258-M261 WeakPolarHBondContact O-CB 3.22Å; S258-M261 PolarHBondContact O-N 3.35Å
259L82Confident84.7Confident159 Ų15987.2 Ų87.283%0.83242%0.422SS*.G310 helixtrans-64.2-24.4176-65.5176.9000113.4N257 M261 P263N257-L259 PolarHBondContact O-N 3.35Å; N257-L259 VanDerWaalsContact O-N 3.14Å; L259-M261 VanDerWaalsContact C-N 3.29Å; L259-M261 PolarHBondContact O-N 3.29Å; L259-P263 WeakPolarHBondContact O-CD 3.32Å
260L84.7Confident85.3Confident71 Ų7184.5 Ų84.537%0.37242%0.417SS..G310 helixtrans-76.1-15.8177.7-66.6175.1000112.9F253 F254 N257 S258 A262 P263 C264F253-L260 HydrophobicContact CE1-CD1 3.85Å; F253-L260 HydrophobicContact CZ-CD1 4.06Å; F254-L260 HydrophobicContact CD1-CB 4.37Å; F254-L260 HydrophobicContact CE1-CB 4.11Å; N257-L260 HydrophobicContact CB-CD1 3.69Å; N257-L260 HydrophobicContact CB-CG 4.09Å; N257-L260 WeakPolarHBondContact O-CB 3.18Å; N257-L260 PolarHBondContact O-N 3.21Å; S258-L260 PolarHBondContact O-N 3.3Å; L260-A262 PolarHBondContact O-N 2.94Å; L260-P263 WeakPolarHBondContact O-CD 3.19Å; L260-P263 WeakPolarHBondContact O-CG 3.24Å; L260-C264 VanDerWaalsContact O-CB 3.3Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 3.38Å; L260-C264 PolarHBondContact O-SG 3.2Å
261M82.5Confident85.8Confident25 Ų2580 Ų8012%0.12341%0.407CS..Hα-helixtrans-65.8-40.6-176.2-69.2-59.4-58.200113V245 L248 Q249 F254 S258 L259 R265V245-M261 HydrophobicContact CB-CE 4.14Å; V245-M261 HydrophobicContact CG1-CE 3.58Å; V245-M261 HydrophobicContact CG2-CE 4.26Å; L248-M261 HydrophobicContact CB-CE 4.25Å; L248-M261 HydrophobicContact CB-SD 4.44Å; Q249-M261 HydrophobicContact CG-CE 3.54Å; Q249-M261 HydrophobicContact CG-SD 4.37Å; F254-M261 HydrophobicContact CB-SD 3.74Å; F254-M261 HydrophobicContact CD1-CG 4.32Å; F254-M261 HydrophobicContact CD1-SD 3.28Å; F254-M261 WeakPolarHBondContact CD1-SD 3.45Å; F254-M261 HydrophobicContact CE1-SD 4.1Å; F254-M261 HydrophobicContact CG-SD 3.76Å; S258-M261 WeakPolarHBondContact O-CB 3.22Å; S258-M261 PolarHBondContact O-N 3.35Å; L259-M261 VanDerWaalsContact C-N 3.29Å; L259-M261 PolarHBondContact O-N 3.29Å; M261-R265 WeakPolarHBondContact O-CB 3.38Å; M261-R265 PolarHBondContact O-N 2.67Å
262A82.9Confident86.3Confident53 Ų5378.1 Ų78.144%0.43839%0.393SS..Hα-helixtrans-62.7-57.2177.700000111.9L260 C264 R265 H266L260-A262 PolarHBondContact O-N 2.94Å; A262-C264 VanDerWaalsContact C-N 3.31Å; A262-C264 PolarHBondContact O-N 2.98Å; A262-R265 WeakPolarHBondContact O-CB 3.47Å; A262-R265 PolarHBondContact O-N 3.5Å; A262-R265 VanDerWaalsContact O-N 3.07Å; A262-H266 VanDerWaalsContact C-CD2 3.46Å; A262-H266 PolarHBondContact O-CD2 3.18Å; A262-H266 PolarHBondContact O-N 3.09Å; A262-H266 PolarHBondContact O-NE2 3.12Å
263P86.9Confident87Confident56 Ų5667.7 Ų67.736%0.36435%0.354SS..Hα-helixtrans-60.7-38.6178.420.9-30.1000112.5L259 L260 R265 H266 I267L259-P263 WeakPolarHBondContact O-CD 3.32Å; L260-P263 WeakPolarHBondContact O-CD 3.19Å; L260-P263 WeakPolarHBondContact O-CG 3.24Å; P263-R265 VanDerWaalsContact C-N 3.33Å; P263-R265 PolarHBondContact O-N 2.98Å; P263-H266 PolarHBondContact O-N 2.91Å; P263-I267 WeakPolarHBondContact O-CB 3.42Å; P263-I267 VanDerWaalsContact O-CG1 3.26Å; P263-I267 WeakPolarHBondContact O-CG1 3.34Å; P263-I267 PolarHBondContact O-N 3.34Å
264C88.1Confident87.6Confident35 Ų3563.1 Ų63.124%0.23634%0.339CS..Hα-helixtrans-58.8-43.1173.8-75.30000112.2L248 F254 L260 A262 S268L248-C264 HydrophobicContact CD1-CB 4.49Å; F254-C264 HydrophobicContact CE1-CB 4.43Å; L260-C264 VanDerWaalsContact O-CB 3.3Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 3.38Å; L260-C264 PolarHBondContact O-SG 3.2Å; A262-C264 VanDerWaalsContact C-N 3.31Å; A262-C264 PolarHBondContact O-N 2.98Å; C264-S268 VanDerWaalsContact O-CB 3.24Å; C264-S268 WeakPolarHBondContact O-CB 3.38Å; C264-S268 PolarHBondContact O-N 2.59Å; C264-S268 PolarHBondContact O-OG 3.1Å
265R87.8Confident88.2Confident42 Ų4267 Ų6716%0.15836%0.361CS..Hα-helixtrans-60.6-46.8175.5-173.3-179.8-178-153-1.4111.5N242 V245 M261 A262 P263 S268 V269N242-R265 PolarHBondContact OD1-NE 3.48Å; N242-R265 PolarHBondContact OD1-NH2 2.83Å; V245-R265 HydrophobicContact CG2-CB 3.77Å; V245-R265 HydrophobicContact CG2-CG 3.93Å; M261-R265 WeakPolarHBondContact O-CB 3.38Å; M261-R265 PolarHBondContact O-N 2.67Å; A262-R265 WeakPolarHBondContact O-CB 3.47Å; A262-R265 PolarHBondContact O-N 3.5Å; A262-R265 VanDerWaalsContact O-N 3.07Å; P263-R265 VanDerWaalsContact C-N 3.33Å; P263-R265 PolarHBondContact O-N 2.98Å; R265-S268 PolarHBondContact O-N 2.84Å; R265-V269 WeakPolarHBondContact O-CG2 3.23Å; R265-V269 PolarHBondContact O-N 2.62Å
266H88.8Confident89Confident39 Ų3962.4 Ų62.418%0.18134%0.34CS..Hα-helixtrans-67.6-43.4-177.2-60.2-41.9000112.9V92 L96 A262 P263 S268 V269 A270V92-H266 HydrophobicContact CG1-CB 3.9Å; L96-H266 WeakPolarHBondContact CD2-CE1 3.17Å; L96-H266 WeakPolarHBondContact CD2-NE2 3.33Å; A262-H266 VanDerWaalsContact C-CD2 3.46Å; A262-H266 PolarHBondContact O-CD2 3.18Å; A262-H266 PolarHBondContact O-N 3.09Å; A262-H266 PolarHBondContact O-NE2 3.12Å; P263-H266 PolarHBondContact O-N 2.91Å; H266-S268 VanDerWaalsContact C-N 3.27Å; H266-S268 PolarHBondContact O-N 3.5Å; H266-V269 PolarHBondContact O-N 3.21Å; H266-A270 PolarHBondContact O-N 2.65Å
267I92Very high89.6Confident114 Ų11452 Ų5259%0.58530%0.301SS*.Hα-helixtrans-61.2-41.3174.3-66.9166.1000109.9P263 V269 A270 L271P263-I267 WeakPolarHBondContact O-CB 3.42Å; P263-I267 VanDerWaalsContact O-CG1 3.26Å; P263-I267 WeakPolarHBondContact O-CG1 3.34Å; P263-I267 PolarHBondContact O-N 3.34Å; I267-V269 PolarHBondContact O-N 2.94Å; I267-A270 PolarHBondContact O-N 2.83Å; I267-L271 VanDerWaalsContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CB 3.29Å; I267-L271 PolarHBondContact O-N 2.65Å
268S92.9Very high90.2Very high18 Ų1849.6 Ų49.613%0.12629%0.289CS..Hα-helixtrans-65.5-38.9178.1-57.10000112.3L244 C264 R265 H266 L271 V272L244-S268 WeakPolarHBondContact CD2-OG 3.34Å; C264-S268 VanDerWaalsContact O-CB 3.24Å; C264-S268 WeakPolarHBondContact O-CB 3.38Å; C264-S268 PolarHBondContact O-N 2.59Å; C264-S268 PolarHBondContact O-OG 3.1Å; R265-S268 PolarHBondContact O-N 2.84Å; H266-S268 VanDerWaalsContact C-N 3.27Å; H266-S268 PolarHBondContact O-N 3.5Å; S268-L271 PolarHBondContact O-N 3.22Å; S268-V272 WeakPolarHBondContact O-CB 3.3Å; S268-V272 WeakPolarHBondContact O-CG2 3.48Å; S268-V272 PolarHBondContact O-N 3.35Å
269V93.7Very high91Very high4 Ų447.3 Ų47.32%0.02427%0.271CS..Hα-helixtrans-59.6-50.1172.9169.60000110.6V91 V92 L95 T237 P241 R265 H266 I267 L271 V272 L273V91-V269 HydrophobicContact CG1-CG1 3.9Å; V92-V269 HydrophobicContact CG2-CB 4.23Å; V92-V269 HydrophobicContact CG2-CG1 3.81Å; L95-V269 HydrophobicContact CD1-CG1 3.84Å; L95-V269 HydrophobicContact CD1-CG2 4.22Å; T237-V269 HydrophobicContact CG2-CG1 4Å; P241-V269 HydrophobicContact CB-CG2 3.75Å; P241-V269 HydrophobicContact CG-CB 4.26Å; P241-V269 HydrophobicContact CG-CG2 3.63Å; R265-V269 WeakPolarHBondContact O-CG2 3.23Å; R265-V269 PolarHBondContact O-N 2.62Å; H266-V269 PolarHBondContact O-N 3.21Å; I267-V269 PolarHBondContact O-N 2.94Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.5Å; V269-V272 PolarHBondContact O-N 2.84Å; V269-L273 VanDerWaalsContact O-CB 3.3Å; V269-L273 WeakPolarHBondContact O-CB 3.34Å; V269-L273 PolarHBondContact O-N 3.37Å
270A94.3Very high91.6Very high41 Ų4139.8 Ų39.834%0.33923%0.232SC..Hα-helixtrans-61.8-42.518000000112.1V92 H266 I267 G274V92-A270 HydrophobicContact CG2-CB 3.94Å; H266-A270 PolarHBondContact O-N 2.65Å; I267-A270 PolarHBondContact O-N 2.83Å; A270-G274 PolarHBondContact O-N 2.83Å
271L94.9Very high91.9Very high102 Ų10236.4 Ų36.453%0.53421%0.214SC..Hα-helixtrans-67.3-46.8179.4-177.4141.7000111.9I267 S268 V269 L273 G274 L275I267-L271 VanDerWaalsContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CB 3.29Å; I267-L271 PolarHBondContact O-N 2.65Å; S268-L271 PolarHBondContact O-N 3.22Å; V269-L271 VanDerWaalsContact C-N 3.34Å; V269-L271 PolarHBondContact O-N 3.5Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 2.86Å; L271-G274 PolarHBondContact O-N 3Å; L271-L275 HydrophobicContact CD2-CD1 3.64Å; L271-L275 HydrophobicContact CD2-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.27Å; L271-L275 WeakPolarHBondContact O-CG 3.39Å; L271-L275 PolarHBondContact O-N 3.3Å
272V96Very high92.3Very high15 Ų1535.2 Ų35.29%0.09121%0.208CC..Hα-helixtrans-62.2-43.9176.9172.80000110.2V240 P241 S268 V269 L275 M276V240-V272 HydrophobicContact CB-CG1 4.11Å; V240-V272 HydrophobicContact CB-CG2 3.97Å; V240-V272 HydrophobicContact CG1-CG2 3.66Å; V240-V272 HydrophobicContact CG2-CG1 4.43Å; P241-V272 HydrophobicContact CG-CB 4.47Å; P241-V272 HydrophobicContact CG-CG2 4.23Å; S268-V272 WeakPolarHBondContact O-CB 3.3Å; S268-V272 WeakPolarHBondContact O-CG2 3.48Å; S268-V272 PolarHBondContact O-N 3.35Å; V269-V272 PolarHBondContact O-N 2.84Å; V272-L275 PolarHBondContact O-N 3.46Å; V272-M276 HydrophobicContact CG1-CG 3.99Å; V272-M276 WeakPolarHBondContact O-CB 3.22Å; V272-M276 VanDerWaalsContact O-CG 3.22Å; V272-M276 WeakPolarHBondContact O-CG 3.21Å; V272-M276 PolarHBondContact O-N 2.97Å
273L95.8Very high92.6Very high0 Ų035.4 Ų35.40%020%0.202CC..Hα-helixtrans-58.8-50.5175.7-176.671.2000110.9L84 V91 L233 T237 V269 L271 L275 M276 I277L84-L273 HydrophobicContact CD1-CD2 4.26Å; L84-L273 HydrophobicContact CD1-CG 4.47Å; V91-L273 HydrophobicContact CB-CD2 4.03Å; V91-L273 HydrophobicContact CG1-CD2 4.35Å; V91-L273 HydrophobicContact CG2-CD2 4.05Å; L233-L273 HydrophobicContact CD1-CD1 3.97Å; L233-L273 HydrophobicContact CG-CD1 4.35Å; T237-L273 HydrophobicContact CG2-CB 3.82Å; T237-L273 HydrophobicContact CG2-CD1 4.07Å; T237-L273 HydrophobicContact CG2-CG 4.48Å; V269-L273 VanDerWaalsContact O-CB 3.3Å; V269-L273 WeakPolarHBondContact O-CB 3.34Å; V269-L273 PolarHBondContact O-N 3.37Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 2.86Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.42Å; L273-M276 PolarHBondContact O-N 3.08Å; L273-M276 VanDerWaalsContact O-N 3.1Å; L273-I277 HydrophobicContact CD1-CD1 4.44Å; L273-I277 HydrophobicContact CD1-CG1 4.33Å; L273-I277 HydrophobicContact CG-CD1 3.98Å; L273-I277 HydrophobicContact CG-CG1 4.32Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.36Å; L273-I277 PolarHBondContact O-N 3.07Å
274G94.6Very high92.7Very high20 Ų2035.1 Ų35.121%0.20620%0.195CC..Hα-helixtrans-58-39.8-179.800000113.4A270 L271 P278A270-G274 PolarHBondContact O-N 2.83Å; L271-G274 PolarHBondContact O-N 3Å; G274-P278 WeakPolarHBondContact O-CD 3.45Å
275L95Very high92.5Very high112 Ų11234.8 Ų34.859%0.58619%0.193SC*.Hα-helixtrans-73.5-35.7175.2-66.6175.6000112.5L271 V272 L273 P278 V279L271-L275 HydrophobicContact CD2-CD1 3.64Å; L271-L275 HydrophobicContact CD2-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.27Å; L271-L275 WeakPolarHBondContact O-CG 3.39Å; L271-L275 PolarHBondContact O-N 3.3Å; V272-L275 PolarHBondContact O-N 3.46Å; L273-L275 VanDerWaalsContact C-N 3.3Å; L273-L275 PolarHBondContact O-N 3.42Å; L275-P278 WeakPolarHBondContact O-CD 3.39Å; L275-P278 WeakPolarHBondContact O-CG 3.22Å; L275-V279 WeakPolarHBondContact O-CG2 3.21Å
276M95.7Very high92.3Very high32 Ų3233.2 Ų33.216%0.15819%0.188CC..Hα-helixtrans-80.7-22.3-175.7-75.6-58.9-50.100113.9V232 L233 T236 V272 L273 V279 S280V232-M276 HydrophobicContact CG1-CE 4.04Å; L233-M276 HydrophobicContact CD1-CB 3.58Å; T236-M276 HydrophobicContact CG2-CE 4.21Å; T236-M276 WeakPolarHBondContact OG1-CG 3.43Å; V272-M276 HydrophobicContact CG1-CG 3.99Å; V272-M276 WeakPolarHBondContact O-CB 3.22Å; V272-M276 VanDerWaalsContact O-CG 3.22Å; V272-M276 WeakPolarHBondContact O-CG 3.21Å; V272-M276 PolarHBondContact O-N 2.97Å; L273-M276 PolarHBondContact O-N 3.08Å; L273-M276 VanDerWaalsContact O-N 3.1Å; M276-V279 HydrophobicContact CE-CB 4.1Å; M276-V279 HydrophobicContact CE-CG1 3.71Å; M276-V279 PolarHBondContact O-N 3.18Å; M276-V279 HydrophobicContact SD-CB 4.29Å; M276-V279 HydrophobicContact SD-CG1 4.19Å; M276-S280 WeakPolarHBondContact O-CB 3.32Å; M276-S280 PolarHBondContact O-N 3.45Å
277I95Very high92.1Very high2 Ų231.7 Ų31.71%0.0118%0.182CC..Hα-helixtrans-57.3-57.7175.6-69.9161.4000111.7L26 Y83 L84 L233 L273 V279 S280 F281L26-I277 HydrophobicContact CD1-CG2 3.64Å; L26-I277 HydrophobicContact CD2-CG2 4.08Å; Y83-I277 HydrophobicContact CD1-CD1 3.74Å; Y83-I277 HydrophobicContact CD1-CG1 3.87Å; Y83-I277 HydrophobicContact CD1-CG2 4Å; Y83-I277 HydrophobicContact CE1-CD1 4.19Å; Y83-I277 HydrophobicContact CE1-CG1 4.01Å; L84-I277 HydrophobicContact CB-CD1 3.66Å; L84-I277 HydrophobicContact CD1-CD1 3.78Å; L84-I277 HydrophobicContact CG-CD1 4.23Å; L233-I277 HydrophobicContact CD1-CG1 4.01Å; L233-I277 HydrophobicContact CD2-CG1 4.38Å; L273-I277 HydrophobicContact CD1-CD1 4.44Å; L273-I277 HydrophobicContact CD1-CG1 4.33Å; L273-I277 HydrophobicContact CG-CD1 3.98Å; L273-I277 HydrophobicContact CG-CG1 4.32Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.36Å; L273-I277 PolarHBondContact O-N 3.07Å; I277-V279 VanDerWaalsContact C-N 3.28Å; I277-V279 PolarHBondContact O-N 3.16Å; I277-S280 PolarHBondContact O-N 3.36Å; I277-F281 HydrophobicContact CG2-CD1 4.5Å; I277-F281 HydrophobicContact CG2-CD2 4.32Å; I277-F281 HydrophobicContact CG2-CE1 4Å; I277-F281 HydrophobicContact CG2-CE2 3.91Å; I277-F281 HydrophobicContact CG2-CZ 3.72Å; I277-F281 VanDerWaalsContact O-CD1 3.31Å; I277-F281 WeakPolarHBondContact O-CD1 3.38Å; I277-F281 WeakPolarHBondContact O-CG 3.19Å; I277-F281 PolarHBondContact O-N 2.82Å
278P93.9Very high91.8Very high15 Ų1526.5 Ų26.510%0.09716%0.156CC..Hα-helixtrans-63.4-34.6178.823.6-33000112.2L19 W22 V23 L26 G274 L275 F281 S282L19-P278 HydrophobicContact CD1-CB 3.86Å; L19-P278 HydrophobicContact CD1-CG 4.46Å; W22-P278 HydrophobicContact CB-CB 4.26Å; V23-P278 HydrophobicContact CG2-CB 3.88Å; V23-P278 HydrophobicContact CG2-CG 4.25Å; L26-P278 HydrophobicContact CD1-CB 3.81Å; L26-P278 HydrophobicContact CD1-CG 4.4Å; G274-P278 WeakPolarHBondContact O-CD 3.45Å; L275-P278 WeakPolarHBondContact O-CD 3.39Å; L275-P278 WeakPolarHBondContact O-CG 3.22Å; P278-F281 PolarHBondContact O-N 3.47Å; P278-S282 VanDerWaalsContact O-CB 3.31Å; P278-S282 WeakPolarHBondContact O-CB 3.4Å; P278-S282 PolarHBondContact O-N 2.81Å; P278-S282 PolarHBondContact O-OG 3.18Å
279V94.5Very high91.5Very high39 Ų3929.3 Ų29.324%0.23617%0.173CC..Hα-helixtrans-62.3-49.8174.8171.50000110.8F15 L19 L275 M276 I277 F281 S282 L283F15-V279 HydrophobicContact CZ-CG1 4.2Å; L19-V279 HydrophobicContact CD1-CG2 3.91Å; L275-V279 WeakPolarHBondContact O-CG2 3.21Å; M276-V279 HydrophobicContact CE-CB 4.1Å; M276-V279 HydrophobicContact CE-CG1 3.71Å; M276-V279 PolarHBondContact O-N 3.18Å; M276-V279 HydrophobicContact SD-CB 4.29Å; M276-V279 HydrophobicContact SD-CG1 4.19Å; I277-V279 VanDerWaalsContact C-N 3.28Å; I277-V279 PolarHBondContact O-N 3.16Å; V279-F281 VanDerWaalsContact C-N 3.34Å; V279-F281 PolarHBondContact O-N 2.99Å; V279-S282 WeakPolarHBondContact CA-OG 3.36Å; V279-S282 PolarHBondContact O-N 3.34Å; V279-S282 PolarHBondContact O-OG 2.99Å; V279-L283 WeakPolarHBondContact O-CG 3.26Å; V279-L283 PolarHBondContact O-N 3.19Å
280S94.1Very high91.1Very high0 Ų029.4 Ų29.40%017%0.174CC..Hα-helixtrans-59.6-44.1178.9174.80000111.5S229 M276 I277 S282 L283S229-S280 VanDerWaalsContact C-OG 3.3Å; S229-S280 WeakPolarHBondContact CB-O 3.26Å; S229-S280 PolarHBondContact O-OG 2.99Å; M276-S280 WeakPolarHBondContact O-CB 3.32Å; M276-S280 PolarHBondContact O-N 3.45Å; I277-S280 PolarHBondContact O-N 3.36Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 3.15Å; S280-L283 WeakPolarHBondContact O-CB 3.46Å; S280-L283 PolarHBondContact O-N 3.41Å
281F90.9Very high90.7Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-72.1-24.8-177.2-67.111.6000112W22 L26 Y83 F118 I277 P278 V279 L314W22-F281 HydrophobicContact CD2-CB 3.62Å; W22-F281 AromaticContact CD2-CD2 3.99Å; W22-F281 HydrophobicContact CD2-CD2 3.99Å; W22-F281 HydrophobicContact CD2-CG 4.34Å; W22-F281 HydrophobicContact CE3-CB 4.2Å; W22-F281 AromaticContact CE3-CD2 3.65Å; W22-F281 HydrophobicContact CE3-CD2 3.65Å; W22-F281 HydrophobicContact CE3-CG 4.44Å; W22-F281 HydrophobicContact CG-CB 3.79Å; W22-F281 HydrophobicContact CH2-CD2 4.07Å; W22-F281 HydrophobicContact CZ2-CB 4.14Å; W22-F281 HydrophobicContact CZ2-CD2 4.37Å; W22-F281 AromaticContact CZ3-CD2 3.69Å; W22-F281 HydrophobicContact CZ3-CD2 3.69Å; W22-F281 HydrophobicContact CZ3-CE2 4.37Å; W22-F281 PolarHBondContact NE1-O 3.07Å; W22-F281 VanDerWaalsContact NE1-O 3.08Å; L26-F281 HydrophobicContact CD1-CD2 4.47Å; L26-F281 HydrophobicContact CD2-CD2 4.26Å; L26-F281 HydrophobicContact CD2-CE2 3.94Å; Y83-F281 AromaticContact CD1-CZ 3.98Å; Y83-F281 HydrophobicContact CD1-CZ 3.98Å; Y83-F281 HydrophobicContact CE1-CZ 4.28Å; Y83-F281 HydrophobicContact CG-CZ 4.27Å; F118-F281 HydrophobicContact CZ-CZ 4.42Å; I277-F281 HydrophobicContact CG2-CD1 4.5Å; I277-F281 HydrophobicContact CG2-CD2 4.32Å; I277-F281 HydrophobicContact CG2-CE1 4Å; I277-F281 HydrophobicContact CG2-CE2 3.91Å; I277-F281 HydrophobicContact CG2-CZ 3.72Å; I277-F281 VanDerWaalsContact O-CD1 3.31Å; I277-F281 WeakPolarHBondContact O-CD1 3.38Å; I277-F281 WeakPolarHBondContact O-CG 3.19Å; I277-F281 PolarHBondContact O-N 2.82Å; P278-F281 PolarHBondContact O-N 3.47Å; V279-F281 VanDerWaalsContact C-N 3.34Å; V279-F281 PolarHBondContact O-N 2.99Å; F281-L314 HydrophobicContact CB-CD1 4.2Å; F281-L314 HydrophobicContact CD1-CD1 4.36Å; F281-L314 HydrophobicContact CD2-CD1 3.74Å; F281-L314 HydrophobicContact CD2-CD2 4.07Å; F281-L314 HydrophobicContact CD2-CG 4.24Å; F281-L314 HydrophobicContact CE2-CD1 4.17Å; F281-L314 HydrophobicContact CE2-CD2 3.72Å; F281-L314 HydrophobicContact CE2-CG 4.16Å; F281-L314 HydrophobicContact CG-CD1 3.84Å; F281-L314 HydrophobicContact CZ-CD2 4.3Å; F281-L314 HydrophobicContact CZ-CG 4.48Å
282S91.1Very high90Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-89.9-11176.857.10000114.8F15 R18 P278 V279 S280 F284F15-S282 VanDerWaalsContact CE2-OG 3.26Å; F15-S282 WeakPolarHBondContact CE2-OG 3.35Å; R18-S282 PolarHBondContact NE-O 3.09Å; R18-S282 PolarHBondContact NH2-O 3.39Å; P278-S282 VanDerWaalsContact O-CB 3.31Å; P278-S282 WeakPolarHBondContact O-CB 3.4Å; P278-S282 PolarHBondContact O-N 2.81Å; P278-S282 PolarHBondContact O-OG 3.18Å; V279-S282 WeakPolarHBondContact CA-OG 3.36Å; V279-S282 PolarHBondContact O-N 3.34Å; V279-S282 PolarHBondContact O-OG 2.99Å; S280-S282 VanDerWaalsContact C-N 3.26Å; S280-S282 PolarHBondContact O-N 3.15Å; S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 2.92Å
283L89.6Confident89.3Confident58 Ų5836.9 Ų36.930%0.30420%0.198SC..Hα-helixtrans-52.3-47.3177.8-79.5172.8000111.3F15 R18 V232 V279 S280F15-L283 HydrophobicContact CE2-CD2 4.46Å; R18-L283 PolarHBondContact NH2-O 3.38Å; V232-L283 HydrophobicContact CB-CD1 4.09Å; V232-L283 HydrophobicContact CG1-CD1 4.07Å; V232-L283 HydrophobicContact CG2-CD1 4.35Å; V279-L283 WeakPolarHBondContact O-CG 3.26Å; V279-L283 PolarHBondContact O-N 3.19Å; S280-L283 WeakPolarHBondContact O-CB 3.46Å; S280-L283 PolarHBondContact O-N 3.41Å
284F88.1Confident88.6Confident50 Ų5040 Ų4022%0.21922%0.219CC..SBendtrans-118.6150.3175.6-53.6-82.4000110.7E225 L228 S282E225-F284 HydrophobicContact CB-CB 4.33Å; E225-F284 HydrophobicContact CB-CD1 3.97Å; E225-F284 HydrophobicContact CB-CD2 3.88Å; E225-F284 HydrophobicContact CB-CE1 4.24Å; E225-F284 HydrophobicContact CB-CE2 4.16Å; E225-F284 HydrophobicContact CB-CG 3.79Å; E225-F284 HydrophobicContact CB-CZ 4.34Å; E225-F284 HydrophobicContact CG-CD1 3.74Å; E225-F284 HydrophobicContact CG-CE1 3.86Å; E225-F284 HydrophobicContact CG-CG 4.1Å; E225-F284 HydrophobicContact CG-CZ 4.32Å; E225-F284 VanDerWaalsContact O-CD2 3.24Å; E225-F284 WeakPolarHBondContact O-CD2 3.24Å; E225-F284 WeakPolarHBondContact O-CE2 3.11Å; L228-F284 HydrophobicContact CB-CE2 4.35Å; L228-F284 HydrophobicContact CD2-CE2 4.31Å; L228-F284 HydrophobicContact CD2-CZ 3.79Å; L228-F284 HydrophobicContact CG-CE2 4.5Å; L228-F284 HydrophobicContact CG-CZ 4.45Å; S282-F284 VanDerWaalsContact C-N 3.26Å; S282-F284 PolarHBondContact O-N 2.92Å
285S84.5Confident87.9Confident27 Ų2739.3 Ų39.319%0.18921%0.212CC..  trans-69136.4179.1-178.10000111A287 R312S285-A287 VanDerWaalsContact CB-O 3.23Å; S285-A287 WeakPolarHBondContact CB-O 3.42Å; S285-A287 PolarHBondContact O-N 3.35Å; S285-A287 PolarHBondContact OG-N 2.81Å; S285-A287 PolarHBondContact OG-O 2.9Å; S285-R312 WeakPolarHBondContact O-CD 3.3Å; S285-R312 PolarHBondContact O-NE 3.41Å
286P82.4Confident87.4Confident10 Ų1036.8 Ų36.87%0.06520%0.197CC..SBendtrans-61-32.1170.3-2839.9000113.2W8 W22 R312W8-P286 HydrophobicContact CD2-CB 3.68Å; W8-P286 HydrophobicContact CD2-CG 3.97Å; W8-P286 HydrophobicContact CE3-CB 3.85Å; W8-P286 HydrophobicContact CE3-CG 3.6Å; W8-P286 HydrophobicContact CG-CB 4.06Å; W8-P286 HydrophobicContact CH2-CB 4.41Å; W8-P286 HydrophobicContact CH2-CG 3.9Å; W8-P286 HydrophobicContact CZ2-CB 4.3Å; W8-P286 HydrophobicContact CZ2-CG 4.27Å; W8-P286 HydrophobicContact CZ3-CB 4.23Å; W8-P286 HydrophobicContact CZ3-CG 3.57Å; W22-P286 HydrophobicContact CZ2-CG 4.01Å; P286-R312 WeakPolarHBondContact O-CB 3.46Å; P286-R312 PolarHBondContact O-N 3.34Å
287A85.6Confident86.6Confident6 Ų643.1 Ų43.15%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-92.6100.7165.400000109W8 S285 I309W8-A287 HydrophobicContact CB-CB 3.72Å; S285-A287 VanDerWaalsContact CB-O 3.23Å; S285-A287 WeakPolarHBondContact CB-O 3.42Å; S285-A287 PolarHBondContact O-N 3.35Å; S285-A287 PolarHBondContact OG-N 2.81Å; S285-A287 PolarHBondContact OG-O 2.9Å; A287-I309 HydrophobicContact CB-CG2 4.13Å
288G84.2Confident85.7Confident5 Ų551.5 Ų51.55%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-82147.7178.700000111.3I309 Y310G288-I309 CarbonylContact O-C 3.59Å; G288-I309 VanDerWaalsContact O-CA 3.3Å; G288-I309 WeakPolarHBondContact O-CA 3.32Å; G288-I309 WeakPolarHBondContact O-CG2 3.41Å; G288-Y310 VanDerWaalsContact C-CE1 3.5Å; G288-Y310 PolarHBondContact N-O 2.92Å; G288-Y310 WeakPolarHBondContact O-CD1 3.4Å; G288-Y310 PolarHBondContact O-N 2.75Å
289T86.5Confident85Confident78 Ų7851.8 Ų51.848%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-116138.9175.8570000110.6K221 L308K221-T289 PolarHBondContact NZ-O 2.89Å; T289-L308 CarbonylContact C-O 3.55Å; T289-L308 WeakPolarHBondContact CA-O 3.45Å
290I86.3Confident84.2Confident6 Ų653.1 Ų53.13%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-130.1140.5176-168.2160.6000109.9A217 A218 S294 V295 T307 L308 Y310A217-I290 HydrophobicContact CB-CD1 4Å; A218-I290 HydrophobicContact CB-CD1 4.2Å; A218-I290 HydrophobicContact CB-CG2 4.4Å; I290-S294 WeakPolarHBondContact CG1-OG 3.3Å; I290-V295 HydrophobicContact CB-CG2 4.39Å; I290-V295 HydrophobicContact CD1-CG2 3.93Å; I290-V295 HydrophobicContact CG1-CG2 3.86Å; I290-V295 HydrophobicContact CG2-CG2 3.68Å; I290-T307 WeakPolarHBondContact O-CA 3.47Å; I290-L308 HydrophobicContact CG2-CB 3.91Å; I290-L308 PolarHBondContact N-O 2.73Å; I290-L308 PolarHBondContact O-N 3.35Å; I290-Y310 HydrophobicContact CB-CD1 4.41Å; I290-Y310 HydrophobicContact CB-CE1 4.01Å; I290-Y310 HydrophobicContact CG2-CD1 4.15Å; I290-Y310 HydrophobicContact CG2-CE1 4.26Å
291N86.1Confident83Confident94 Ų9457.3 Ų57.350%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-73.4140.9177.8-71.5-15.3000109.3E293 S294N291-E293 PolarHBondContact O-N 3.47Å; N291-S294 PolarHBondContact N-OG 2.71Å; N291-S294 PolarHBondContact O-N 2.86Å; N291-S294 PolarHBondContact O-OG 2.8Å
292R81Confident81.7Confident63 Ų6360 Ų6024%0.23833%0.331CS..G310 helixtrans-52.7-41.4179.5-171.4-161.3-167.2113-6112.4S294 V295 Q300 A303 G305 Q306R292-S294 PolarHBondContact O-N 3.38Å; R292-V295 WeakPolarHBondContact O-CB 3.42Å; R292-V295 PolarHBondContact O-N 3Å; R292-V295 VanDerWaalsContact O-N 3.1Å; R292-Q300 HydrophobicContact CG-CB 4.31Å; R292-Q300 HydrophobicContact CG-CG 4.22Å; R292-Q300 PolarHBondContact NE-O 3.12Å; R292-Q300 PolarHBondContact NH2-O 3.24Å; R292-Q300 WeakPolarHBondContact O-CG 3.5Å; R292-Q300 PolarHBondContact O-NE2 2.9Å; R292-A303 PolarHBondContact NH1-O 3.22Å; R292-A303 PolarHBondContact NH2-O 3.09Å; R292-G305 PolarHBondContact NH1-O 2.98Å; R292-Q306 WeakPolarHBondContact CB-O 3.47Å; R292-Q306 PolarHBondContact N-O 3.39Å
293E80.2Confident80.4Confident158 Ų15860.2 Ų60.274%0.73833%0.334SS*.G310 helixtrans-62.9-24.2-179.4-63.4170.1-163.300113.7N291 V295 Q300N291-E293 PolarHBondContact O-N 3.47Å; E293-V295 VanDerWaalsContact C-N 3.35Å; E293-Q300 PolarHBondContact O-NE2 3.25Å
294S80.4Confident79Confident64 Ų6462.6 Ų62.645%0.44836%0.355SS..G310 helixtrans-91.11.8178.957.90000113.8A217 I290 N291 R292A217-S294 WeakPolarHBondContact CB-O 3.47Å; I290-S294 WeakPolarHBondContact CG1-OG 3.3Å; N291-S294 PolarHBondContact N-OG 2.71Å; N291-S294 PolarHBondContact O-N 2.86Å; N291-S294 PolarHBondContact O-OG 2.8Å; R292-S294 PolarHBondContact O-N 3.38Å
295V81.3Confident77.9Confident7 Ų761.3 Ų61.34%0.04236%0.356CS..SBendtrans-104.7157.8-179.8-179.50000109.2I290 R292 E293 L299 Q300 L308I290-V295 HydrophobicContact CB-CG2 4.39Å; I290-V295 HydrophobicContact CD1-CG2 3.93Å; I290-V295 HydrophobicContact CG1-CG2 3.86Å; I290-V295 HydrophobicContact CG2-CG2 3.68Å; R292-V295 WeakPolarHBondContact O-CB 3.42Å; R292-V295 PolarHBondContact O-N 3Å; R292-V295 VanDerWaalsContact O-N 3.1Å; E293-V295 VanDerWaalsContact C-N 3.35Å; V295-L299 HydrophobicContact CG1-CB 3.74Å; V295-L299 HydrophobicContact CG1-CD1 3.53Å; V295-L299 HydrophobicContact CG1-CG 4.24Å; V295-Q300 PolarHBondContact O-NE2 3.35Å; V295-L308 HydrophobicContact CG1-CD1 4.23Å; V295-L308 HydrophobicContact CG2-CD1 4.25Å
296E85.1Confident77.5Confident59 Ų5967.4 Ų67.428%0.27638%0.381SS..  trans-50.8138.5178.9-62.283.517400112.7S215 K216 A217 E298 L299 Q300S215-E296 WeakPolarHBondContact CA-OE2 3.31Å; S215-E296 WeakPolarHBondContact CB-OE2 3.37Å; S215-E296 PolarHBondContact OG-OE1 3.36Å; S215-E296 PolarHBondContact OG-OE2 3.17Å; K216-E296 WeakPolarHBondContact CA-OE1 3.45Å; K216-E296 VanDerWaalsContact CB-OE1 3.32Å; K216-E296 WeakPolarHBondContact CB-OE1 3.3Å; K216-E296 PolarHBondContact N-OE1 2.83Å; A217-E296 PolarHBondContact N-OE1 2.98Å; E296-E298 PolarHBondContact O-N 2.93Å; E296-E298 VanDerWaalsContact O-N 3.09Å; E296-L299 PolarHBondContact O-N 2.81Å; E296-Q300 PolarHBondContact O-N 3.44Å
297E77.6Confident77.6Confident165 Ų16569.7 Ų69.777%0.77140%0.395SS*.THydrogen-bonded Turntrans-53.4-34.5-175.2-66.6-177.1177.400113.1L299 Q300E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.42Å; E297-Q300 WeakPolarHBondContact O-CB 3.28Å; E297-Q300 PolarHBondContact O-N 3.33Å; E297-Q300 VanDerWaalsContact O-N 3.12Å
298E77.4Confident77.6Confident178 Ų17869.5 Ų69.583%0.83239%0.393SS*.THydrogen-bonded Turntrans-60.8-36.6177.3-61-179.1-178.500112.7E296E296-E298 PolarHBondContact O-N 2.93Å; E296-E298 VanDerWaalsContact O-N 3.09Å
299L77.9Confident77.8Confident21 Ų2169.4 Ų69.411%0.1139%0.392CS..Hα-helixtrans-84.3-19.5178.4-60.7176.9000112V204 V212 V214 V295 E296 E297 A301 G302 A303V204-L299 HydrophobicContact CG2-CD1 4.08Å; V212-L299 HydrophobicContact CG1-CD2 4.47Å; V214-L299 WeakPolarHBondContact O-CD1 3.09Å; V295-L299 HydrophobicContact CG1-CB 3.74Å; V295-L299 HydrophobicContact CG1-CD1 3.53Å; V295-L299 HydrophobicContact CG1-CG 4.24Å; E296-L299 PolarHBondContact O-N 2.81Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.42Å; L299-A301 PolarHBondContact O-N 2.93Å; L299-G302 PolarHBondContact O-N 2.7Å; L299-A303 PolarHBondContact O-N 2.92Å
300Q77.7Confident77.9Confident66 Ų6665.7 Ų65.731%0.30837%0.369SS..Hα-helixtrans-70.3-12.3173.1-57.3-176.27.500112.7R292 E293 V295 E296 E297R292-Q300 HydrophobicContact CG-CB 4.31Å; R292-Q300 HydrophobicContact CG-CG 4.22Å; R292-Q300 PolarHBondContact NE-O 3.12Å; R292-Q300 PolarHBondContact NH2-O 3.24Å; R292-Q300 WeakPolarHBondContact O-CG 3.5Å; R292-Q300 PolarHBondContact O-NE2 2.9Å; E293-Q300 PolarHBondContact O-NE2 3.25Å; V295-Q300 PolarHBondContact O-NE2 3.35Å; E296-Q300 PolarHBondContact O-N 3.44Å; E297-Q300 WeakPolarHBondContact O-CB 3.28Å; E297-Q300 PolarHBondContact O-N 3.33Å; E297-Q300 VanDerWaalsContact O-N 3.12Å
301A68.8Low77.9Confident88 Ų8865.7 Ų65.773%0.72737%0.368SS*.Hα-helixtrans-89.1-34.1173.900000112.4L299L299-A301 PolarHBondContact O-N 2.93Å
302G64.3Low77.8Confident56 Ų5661.2 Ų61.258%0.57735%0.345SS*.Hα-helixtrans-91-12.6-171.700000116.4L299L299-G302 PolarHBondContact O-N 2.7Å
303A63.1Low77.9Confident6 Ų658.9 Ų58.95%0.0534%0.34CS..  trans-81.3139-178.600000112.2V212 R292 L299 L308V212-A303 HydrophobicContact CG1-CB 4.33Å; R292-A303 PolarHBondContact NH1-O 3.22Å; R292-A303 PolarHBondContact NH2-O 3.09Å; L299-A303 PolarHBondContact O-N 2.92Å; A303-L308 HydrophobicContact CB-CD2 3.81Å; A303-L308 HydrophobicContact CB-CG 4.47Å
304S60.1Low77.9Confident108 Ų10851.8 Ų51.876%0.75531%0.307SS*.SBendtrans-92.211.4175.3-56.30000113.8
305G66.4Low77.7Confident22 Ų2251.2 Ų51.223%0.22730%0.3CS..SBendtrans-144.4171.4-175.500000114.9R292R292-G305 PolarHBondContact NH1-O 2.98Å
306Q76.1Confident77.5Confident156 Ų15653.5 Ų53.573%0.72931%0.314SS*.SBendtrans-81-22.2179.7-160.217211.400112.7R292R292-Q306 WeakPolarHBondContact CB-O 3.47Å; R292-Q306 PolarHBondContact N-O 3.39Å
307T83.9Confident77.1Confident58 Ų5853.2 Ų53.236%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-129.5143.7178.753.70000111.3I290I290-T307 WeakPolarHBondContact O-CA 3.47Å
308L85.9Confident77.1Confident1 Ų146.6 Ų46.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-110.9150.9173.7-66.6174.3000109.6V204 F205 V212 T289 I290 V295 A303V204-L308 HydrophobicContact CB-CB 4.38Å; V204-L308 HydrophobicContact CB-CD1 4.45Å; V204-L308 HydrophobicContact CG2-CD1 4.16Å; F205-L308 WeakPolarHBondContact O-CA 3.3Å; F205-L308 WeakPolarHBondContact O-CD2 3.4Å; V212-L308 HydrophobicContact CB-CD2 4.45Å; V212-L308 HydrophobicContact CG2-CD2 4Å; T289-L308 CarbonylContact C-O 3.55Å; T289-L308 WeakPolarHBondContact CA-O 3.45Å; I290-L308 HydrophobicContact CG2-CB 3.91Å; I290-L308 PolarHBondContact N-O 2.73Å; I290-L308 PolarHBondContact O-N 3.35Å; V295-L308 HydrophobicContact CG1-CD1 4.23Å; V295-L308 HydrophobicContact CG2-CD1 4.25Å; A303-L308 HydrophobicContact CB-CD2 3.81Å; A303-L308 HydrophobicContact CB-CG 4.47Å
309I88Confident77.1Confident4 Ų438.4 Ų38.42%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-115144.4-177.2-44.7177.2000109L5 K9 V204 F205 A287 G288L5-I309 HydrophobicContact CD1-CB 4.49Å; L5-I309 HydrophobicContact CD1-CG2 4.04Å; L5-I309 HydrophobicContact CD2-CB 3.9Å; L5-I309 HydrophobicContact CD2-CD1 4.15Å; L5-I309 HydrophobicContact CD2-CG2 3.54Å; L5-I309 HydrophobicContact CG-CG2 3.88Å; K9-I309 HydrophobicContact CD-CD1 3.79Å; V204-I309 CarbonylContact C-O 3.57Å; V204-I309 WeakPolarHBondContact CA-O 3.06Å; F205-I309 PolarHBondContact N-O 3.15Å; F205-I309 PolarHBondContact O-N 3.5Å; A287-I309 HydrophobicContact CB-CG2 4.13Å; G288-I309 CarbonylContact O-C 3.59Å; G288-I309 VanDerWaalsContact O-CA 3.3Å; G288-I309 WeakPolarHBondContact O-CA 3.32Å; G288-I309 WeakPolarHBondContact O-CG2 3.41Å
310Y87.6Confident77Confident0 Ų039.5 Ų39.50%027%0.265CS..EExtended strand (participates in β ladder)trans-142.4157.9176.760.5-91.8000111.5I202 A218 K221 A222 G288 I290 R312I202-Y310 HydrophobicContact CD1-CD2 3.33Å; I202-Y310 HydrophobicContact CD1-CE2 4.1Å; I202-Y310 HydrophobicContact CD1-CG 3.69Å; A218-Y310 HydrophobicContact CB-CD1 3.83Å; A218-Y310 HydrophobicContact CB-CE1 4.2Å; A218-Y310 HydrophobicContact CB-CG 4.11Å; K221-Y310 WeakPolarHBondContact CD-OH 3.39Å; K221-Y310 WeakPolarHBondContact CG-OH 3.48Å; A222-Y310 HydrophobicContact CB-CD2 4.2Å; A222-Y310 HydrophobicContact CB-CE2 3.65Å; G288-Y310 VanDerWaalsContact C-CE1 3.5Å; G288-Y310 PolarHBondContact N-O 2.92Å; G288-Y310 WeakPolarHBondContact O-CD1 3.4Å; G288-Y310 PolarHBondContact O-N 2.75Å; I290-Y310 HydrophobicContact CB-CD1 4.41Å; I290-Y310 HydrophobicContact CB-CE1 4.01Å; I290-Y310 HydrophobicContact CG2-CD1 4.15Å; I290-Y310 HydrophobicContact CG2-CE1 4.26Å; Y310-R312 HydrophobicContact CE2-CB 4.24Å; Y310-R312 PolarHBondContact O-N 2.99Å
311H86.3Confident77Confident5 Ų537.6 Ų37.62%0.02326%0.261CS..EExtended strand (participates in β ladder)trans-77114.7168.9-71.9-72.8000109.6D2 V69 N124 F205 G313D2-H311 IonicContact OD1-CE1 3.38Å; D2-H311 IonicContact OD1-NE2 3.61Å; D2-H311 IonicContact OD2-CD2 2.73Å; D2-H311 IonicContact OD2-CE1 3.97Å; D2-H311 IonicContact OD2-NE2 3.69Å; D2-H311 PolarHBondContact OD2-NE2 2.99Å; V69-H311 HydrophobicContact CG2-CB 4.05Å; N124-H311 PolarHBondContact ND2-O 3.25Å; F205-H311 AromaticContact CE2-CD2 3.91Å; H311-G313 VanDerWaalsContact C-N 3.27Å; H311-G313 PolarHBondContact O-N 3.37Å
312R85.6Confident77.6Confident1 Ų133.8 Ų33.80%0.00423%0.226CC..  trans-69.7-28177.1-172-173.866.9128.1-4.7111.9R194 A222 S285 P286 Y310R194-R312 PolarHBondContact NH1-O 3.22Å; R194-R312 PolarHBondContact NH2-O 3.48Å; A222-R312 HydrophobicContact CB-CG 4.12Å; S285-R312 WeakPolarHBondContact O-CD 3.3Å; S285-R312 PolarHBondContact O-NE 3.41Å; P286-R312 WeakPolarHBondContact O-CB 3.46Å; P286-R312 PolarHBondContact O-N 3.34Å; Y310-R312 HydrophobicContact CE2-CB 4.24Å; Y310-R312 PolarHBondContact O-N 2.99Å
313G82.5Confident78.7Confident14 Ų1431.9 Ų31.914%0.14420%0.196CC..  trans72.3-169.7-163.900000111.8H311H311-G313 VanDerWaalsContact C-N 3.27Å; H311-G313 PolarHBondContact O-N 3.37Å
314L79.1Confident80.1Confident8 Ų834.3 Ų34.34%0.04221%0.21CC..  trans-120.40-176.2-160.565.6000111.9W22 P80 F118 H122 R194 T226 R230 F281W22-L314 HydrophobicContact CH2-CD1 3.3Å; W22-L314 HydrophobicContact CH2-CD2 3.86Å; W22-L314 HydrophobicContact CH2-CG 4.2Å; W22-L314 HydrophobicContact CZ2-CD1 3.37Å; W22-L314 HydrophobicContact CZ3-CD1 4.21Å; W22-L314 HydrophobicContact CZ3-CD2 4.27Å; P80-L314 HydrophobicContact CB-CD2 4.17Å; P80-L314 HydrophobicContact CG-CD2 3.83Å; F118-L314 HydrophobicContact CE1-CD2 3.87Å; F118-L314 HydrophobicContact CE1-CG 4.19Å; F118-L314 HydrophobicContact CZ-CD2 3.67Å; F118-L314 HydrophobicContact CZ-CG 4.47Å; H122-L314 HydrophobicContact CB-CB 3.77Å; R194-L314 PolarHBondContact NH1-O 2.92Å; T226-L314 VanDerWaalsContact CG2-OXT 3.31Å; T226-L314 WeakPolarHBondContact CG2-OXT 3.49Å; R230-L314 PolarHBondContact NE-OXT 3.29Å; R230-L314 PolarHBondContact NH2-OXT 2.89Å; F281-L314 HydrophobicContact CB-CD1 4.2Å; F281-L314 HydrophobicContact CD1-CD1 4.36Å; F281-L314 HydrophobicContact CD2-CD1 3.74Å; F281-L314 HydrophobicContact CD2-CD2 4.07Å; F281-L314 HydrophobicContact CD2-CG 4.24Å; F281-L314 HydrophobicContact CE2-CD1 4.17Å; F281-L314 HydrophobicContact CE2-CD2 3.72Å; F281-L314 HydrophobicContact CE2-CG 4.16Å; F281-L314 HydrophobicContact CG-CD1 3.84Å; F281-L314 HydrophobicContact CZ-CD2 4.3Å; F281-L314 HydrophobicContact CZ-CG 4.48Å

Retrieved 314 of 314 residues in 165.2 ms (Link to these results)

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