A0A077Z2R9_TRITR Loading...

Organic cation transporter 1

AlphaFold DB , UniProt , Accession A0A077Z2R9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 534 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
1M40.9Very low65.2Low124 Ų12473.4 Ų73.461%0.61136%0.355SS*.  0114.40-73.4152-16300108.9G3 R293 I294 T297M1-G3 VanDerWaalsContact C-N 3.28Å; M1-R293 HydrophobicContact CE-CG 4.3Å; M1-I294 HydrophobicContact CB-CG1 4.46Å; M1-I294 HydrophobicContact CG-CG1 4.37Å; M1-T297 HydrophobicContact CE-CG2 3.83Å; M1-T297 WeakPolarHBondContact CE-OG1 3.42Å; M1-T297 VanDerWaalsContact SD-CB 3.58Å; M1-T297 HydrophobicContact SD-CG2 3.56Å; M1-T297 VanDerWaalsContact SD-CG2 3.56Å; M1-T297 PolarHBondContact SD-OG1 3.14Å
2A46.4Very low66.9Low33 Ų3368 Ų6827%0.27333%0.329SS..  trans67.918.3-155.900000114.9Q9 L278A2-Q9 PolarHBondContact O-NE2 3.32Å; A2-L278 HydrophobicContact CB-CD2 4.49Å
3G48.8Very low68.4Low31 Ų3163.1 Ų63.132%0.3231%0.305SS..  trans-85.3-17.2-176.600000115.2M1 W5 Y208M1-G3 VanDerWaalsContact C-N 3.28Å; G3-W5 PolarHBondContact O-N 3.43Å; G3-Y208 VanDerWaalsContact O-CE2 3.24Å; G3-Y208 WeakPolarHBondContact O-CE2 2.98Å
4Q53.5Low69.7Low143 Ų14361.6 Ų61.667%0.66831%0.305SS*.SBendtrans-82115.6178.6-75.1-178.5-16.200109.7S6 Q9Q4-S6 PolarHBondContact O-N 3.22Å; Q4-Q9 PolarHBondContact O-OE1 3Å; Q4-Q9 VanDerWaalsContact O-OE1 3.06Å
5W61.5Low71Confident64 Ų6461 Ų6124%0.24230%0.303CS..  trans-56.8103.5179.5-161-68.4000110.4G3 Q9 W10 Y208 R211G3-W5 PolarHBondContact O-N 3.43Å; W5-Q9 VanDerWaalsContact CA-OE1 3.28Å; W5-W10 AromaticContact CD1-CD1 3.63Å; W5-W10 AromaticContact CD1-NE1 3.46Å; W5-W10 AromaticContact CE2-NE1 3.96Å; W5-W10 HydrophobicContact CZ2-CH2 4.5Å; W5-W10 HydrophobicContact CZ2-CZ2 4.01Å; W5-W10 AromaticContact NE1-CD1 3.23Å; W5-W10 AromaticContact NE1-CD2 3.94Å; W5-W10 AromaticContact NE1-CE2 3.26Å; W5-W10 VanDerWaalsContact NE1-CE2 3.26Å; W5-W10 AromaticContact NE1-CG 3.91Å; W5-W10 AromaticContact NE1-CZ2 3.83Å; W5-W10 AromaticContact NE1-NE1 2.83Å; W5-Y208 HydrophobicContact CB-CE1 4.34Å; W5-Y208 HydrophobicContact CB-CE2 4.13Å; W5-Y208 HydrophobicContact CD2-CD1 4.11Å; W5-Y208 HydrophobicContact CD2-CE1 4.13Å; W5-Y208 HydrophobicContact CD2-CG 4.4Å; W5-Y208 AromaticContact CE3-CD1 2.98Å; W5-Y208 HydrophobicContact CE3-CD1 2.98Å; W5-Y208 AromaticContact CE3-CD2 3.73Å; W5-Y208 HydrophobicContact CE3-CD2 3.73Å; W5-Y208 AromaticContact CE3-CE1 3.39Å; W5-Y208 HydrophobicContact CE3-CE1 3.39Å; W5-Y208 HydrophobicContact CE3-CE2 4.1Å; W5-Y208 AromaticContact CE3-CG 3.14Å; W5-Y208 HydrophobicContact CE3-CG 3.14Å; W5-Y208 AromaticContact CE3-CZ 3.93Å; W5-Y208 HydrophobicContact CH2-CD1 4.4Å; W5-Y208 AromaticContact CZ3-CD1 3.14Å; W5-Y208 HydrophobicContact CZ3-CD1 3.14Å; W5-Y208 HydrophobicContact CZ3-CD2 4.36Å; W5-Y208 AromaticContact CZ3-CE1 3.95Å; W5-Y208 HydrophobicContact CZ3-CE1 3.95Å; W5-Y208 AromaticContact CZ3-CG 3.37Å; W5-Y208 HydrophobicContact CZ3-CG 3.37Å; W5-R211 HydrophobicContact CH2-CB 3.95Å; W5-R211 HydrophobicContact CZ3-CB 4.29Å
6S69.5Low72.2Confident23 Ų2357.3 Ų57.316%0.16128%0.284CS..  trans-113.3170.4-175.281.30000113.1Q4 Y8 Q9 W10 N285Q4-S6 PolarHBondContact O-N 3.22Å; S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.39Å; S6-Y8 PolarHBondContact OG-N 3.12Å; S6-Q9 PolarHBondContact O-N 3.47Å; S6-Q9 PolarHBondContact OG-N 3.45Å; S6-W10 PolarHBondContact O-N 3.28Å; S6-W10 VanDerWaalsContact O-N 3.14Å; S6-N285 VanDerWaalsContact CB-OD1 3.27Å; S6-N285 WeakPolarHBondContact CB-OD1 3.49Å; S6-N285 PolarHBondContact OG-ND2 3.05Å; S6-N285 PolarHBondContact OG-OD1 3.47Å
7Y75.2Confident73.2Confident191 Ų19153.9 Ų53.975%0.74927%0.268SS*.Hα-helixtrans-59-37173.5-179-98.3000113.1Q9 W10 T11Y7-Q9 VanDerWaalsContact C-N 3.35Å; Y7-Q9 PolarHBondContact O-N 2.74Å; Y7-W10 PolarHBondContact O-N 3.15Å; Y7-T11 HydrophobicContact CD1-CG2 4.24Å; Y7-T11 HydrophobicContact CE1-CG2 3.72Å; Y7-T11 HydrophobicContact CE2-CG2 4.37Å; Y7-T11 PolarHBondContact O-N 3.07Å; Y7-T11 PolarHBondContact O-OG1 2.95Å; Y7-T11 VanDerWaalsContact O-OG1 3.08Å
8Y77.8Confident74.2Confident21 Ų2155.4 Ų55.48%0.08228%0.276CS..Hα-helixtrans-65.3-39.2177.1178.2-112000112.1S6 T11 L12 V281 R284 N285S6-Y8 VanDerWaalsContact C-N 3.29Å; S6-Y8 PolarHBondContact O-N 3.39Å; S6-Y8 PolarHBondContact OG-N 3.12Å; Y8-T11 VanDerWaalsContact CA-OG1 3.31Å; Y8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Y8-T11 PolarHBondContact O-N 3.4Å; Y8-T11 PolarHBondContact O-OG1 3.47Å; Y8-L12 HydrophobicContact CE1-CD2 4.21Å; Y8-L12 WeakPolarHBondContact O-CB 3.46Å; Y8-L12 PolarHBondContact O-N 3.3Å; Y8-V281 HydrophobicContact CD1-CB 4.48Å; Y8-V281 HydrophobicContact CD1-CG1 3.97Å; Y8-V281 HydrophobicContact CD1-CG2 4.34Å; Y8-V281 HydrophobicContact CE1-CB 4.29Å; Y8-V281 HydrophobicContact CE1-CG1 4.15Å; Y8-V281 HydrophobicContact CE1-CG2 3.69Å; Y8-R284 HydrophobicContact CD2-CG 3.89Å; Y8-R284 HydrophobicContact CG-CB 4.29Å; Y8-R284 HydrophobicContact CG-CG 4.03Å; Y8-N285 VanDerWaalsContact CB-OD1 3.26Å; Y8-N285 WeakPolarHBondContact CB-OD1 3.26Å
9Q80.4Confident75Confident9 Ų953.7 Ų53.74%0.04227%0.269CS..Hα-helixtrans-66.1-40175.7-73.4176.3-3600111.5A2 Q4 W5 S6 Y7 T11 L12 L13 F203A2-Q9 PolarHBondContact O-NE2 3.32Å; Q4-Q9 PolarHBondContact O-OE1 3Å; Q4-Q9 VanDerWaalsContact O-OE1 3.06Å; W5-Q9 VanDerWaalsContact CA-OE1 3.28Å; S6-Q9 PolarHBondContact O-N 3.47Å; S6-Q9 PolarHBondContact OG-N 3.45Å; Y7-Q9 VanDerWaalsContact C-N 3.35Å; Y7-Q9 PolarHBondContact O-N 2.74Å; Q9-T11 PolarHBondContact O-N 3.13Å; Q9-L12 PolarHBondContact O-N 3.05Å; Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 3.43Å; Q9-F203 PolarHBondContact NE2-O 3.36Å
10W79.9Confident75.7Confident118 Ų11851 Ų5145%0.44726%0.256SS..Hα-helixtrans-58.3-46.3172.7-96117.1000112.6W5 S6 Y7 S14 L215W5-W10 AromaticContact CD1-CD1 3.63Å; W5-W10 AromaticContact CD1-NE1 3.46Å; W5-W10 AromaticContact CE2-NE1 3.96Å; W5-W10 HydrophobicContact CZ2-CH2 4.5Å; W5-W10 HydrophobicContact CZ2-CZ2 4.01Å; W5-W10 AromaticContact NE1-CD1 3.23Å; W5-W10 AromaticContact NE1-CD2 3.94Å; W5-W10 AromaticContact NE1-CE2 3.26Å; W5-W10 VanDerWaalsContact NE1-CE2 3.26Å; W5-W10 AromaticContact NE1-CG 3.91Å; W5-W10 AromaticContact NE1-CZ2 3.83Å; W5-W10 AromaticContact NE1-NE1 2.83Å; S6-W10 PolarHBondContact O-N 3.28Å; S6-W10 VanDerWaalsContact O-N 3.14Å; Y7-W10 PolarHBondContact O-N 3.15Å; W10-S14 VanDerWaalsContact O-CB 3.3Å; W10-S14 WeakPolarHBondContact O-CB 3.42Å; W10-S14 PolarHBondContact O-N 3.24Å; W10-S14 PolarHBondContact O-OG 3.38Å; W10-L215 HydrophobicContact CZ3-CD2 4.16Å
11T83.5Confident76.5Confident50 Ų5048.6 Ų48.631%0.30724%0.244SC..Hα-helixtrans-66.5-44.917946.90000112.1Y7 Y8 Q9 S14 L15Y7-T11 HydrophobicContact CD1-CG2 4.24Å; Y7-T11 HydrophobicContact CE1-CG2 3.72Å; Y7-T11 HydrophobicContact CE2-CG2 4.37Å; Y7-T11 PolarHBondContact O-N 3.07Å; Y7-T11 PolarHBondContact O-OG1 2.95Å; Y7-T11 VanDerWaalsContact O-OG1 3.08Å; Y8-T11 VanDerWaalsContact CA-OG1 3.31Å; Y8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Y8-T11 PolarHBondContact O-N 3.4Å; Y8-T11 PolarHBondContact O-OG1 3.47Å; Q9-T11 PolarHBondContact O-N 3.13Å; T11-S14 PolarHBondContact O-N 3.35Å; T11-L15 VanDerWaalsContact O-CB 3.26Å; T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 PolarHBondContact O-N 3.43Å
12L85.8Confident79Confident9 Ų944.7 Ų44.75%0.04723%0.225CC..Hα-helixtrans-63.7-45.1176.9-178.664.4000111.9Y8 Q9 S14 L15 L16 F203 I258Y8-L12 HydrophobicContact CE1-CD2 4.21Å; Y8-L12 WeakPolarHBondContact O-CB 3.46Å; Y8-L12 PolarHBondContact O-N 3.3Å; Q9-L12 PolarHBondContact O-N 3.05Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.25Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.48Å; L12-F203 HydrophobicContact CD2-CB 4.23Å; L12-F203 HydrophobicContact CD2-CD1 3.95Å; L12-F203 HydrophobicContact CD2-CD2 3.82Å; L12-F203 HydrophobicContact CD2-CE1 4.29Å; L12-F203 HydrophobicContact CD2-CE2 4.18Å; L12-F203 HydrophobicContact CD2-CG 3.73Å; L12-F203 HydrophobicContact CD2-CZ 4.42Å; L12-I258 HydrophobicContact CD1-CG1 4.25Å
13L86.6Confident81.1Confident4 Ų443.1 Ų43.12%0.02121%0.212CC..Hα-helixtrans-61.6-43.1176.6-75.3173.1000111.2Q9 L16 A17 A200 V204 T212Q9-L13 WeakPolarHBondContact O-CB 3.36Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 2.92Å; L13-A200 HydrophobicContact CD2-CB 3.64Å; L13-V204 HydrophobicContact CD1-CG2 3.86Å; L13-V204 HydrophobicContact CD2-CG2 3.82Å; L13-V204 HydrophobicContact CG-CG2 4.23Å; L13-T212 HydrophobicContact CD2-CG2 3.82Å
14S86.2Confident83Confident43 Ų4341.7 Ų41.730%0.30120%0.198SC..Hα-helixtrans-66.5-40.7178.2-55.90000111.7W10 T11 L12 L16 I18W10-S14 VanDerWaalsContact O-CB 3.3Å; W10-S14 WeakPolarHBondContact O-CB 3.42Å; W10-S14 PolarHBondContact O-N 3.24Å; W10-S14 PolarHBondContact O-OG 3.38Å; T11-S14 PolarHBondContact O-N 3.35Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.03Å; S14-L16 PolarHBondContact O-N 2.84Å; S14-I18 WeakPolarHBondContact O-CB 3.18Å; S14-I18 PolarHBondContact O-N 3.41Å; S14-I18 VanDerWaalsContact O-N 3.11Å
15L88.5Confident84.8Confident52 Ų5234.9 Ų34.927%0.27217%0.166SC..Hα-helixtrans-64.3-26.5177.2-163.388.5000112.6T11 L12 P19 F251 C254 F257 I258T11-L15 VanDerWaalsContact O-CB 3.26Å; T11-L15 WeakPolarHBondContact O-CB 3.4Å; T11-L15 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.25Å; L15-P19 WeakPolarHBondContact O-CD 3.46Å; L15-P19 VanDerWaalsContact O-CG 3.25Å; L15-P19 WeakPolarHBondContact O-CG 3.47Å; L15-F251 WeakPolarHBondContact O-CE2 3.2Å; L15-C254 HydrophobicContact CD1-CB 4.48Å; L15-C254 HydrophobicContact CD2-CB 4.01Å; L15-C254 HydrophobicContact CG-CB 4.14Å; L15-F257 HydrophobicContact CD2-CB 3.62Å; L15-I258 HydrophobicContact CD2-CD1 4.06Å; L15-I258 HydrophobicContact CD2-CG1 3.58Å
16L90.2Very high86.4Confident1 Ų132.9 Ų32.91%0.00516%0.158CC..Hα-helixtrans-93.2-43.5178.5-17556.1000112.2L12 L13 S14 G20 L155 A196 L199 A200 F216 F251 I258L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 3.09Å; S14-L16 PolarHBondContact O-N 2.84Å; L16-G20 WeakPolarHBondContact O-CA 3.31Å; L16-G20 PolarHBondContact O-N 2.95Å; L16-L155 HydrophobicContact CD1-CD2 3.41Å; L16-L155 VanDerWaalsContact CD1-CD2 3.41Å; L16-A196 HydrophobicContact CD1-CB 3.77Å; L16-A196 VanDerWaalsContact CD2-O 3.26Å; L16-A196 WeakPolarHBondContact CD2-O 3.39Å; L16-A196 HydrophobicContact CG-CB 4.09Å; L16-L199 HydrophobicContact CD1-CD2 4.21Å; L16-L199 HydrophobicContact CD2-CB 3.95Å; L16-L199 HydrophobicContact CD2-CD2 4.07Å; L16-L199 HydrophobicContact CD2-CG 3.92Å; L16-A200 HydrophobicContact CD2-CB 3.83Å; L16-F216 HydrophobicContact CG-CZ 4.43Å; L16-F251 HydrophobicContact CD1-CZ 4.07Å; L16-I258 HydrophobicContact CD1-CD1 4.26Å
17A90.1Very high87.3Confident0 Ų032.2 Ų32.20%015%0.153CC..Hα-helixtrans-73.3-47.3-17300000112.5L13 C21 F216 L219L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 2.92Å; A17-C21 WeakPolarHBondContact O-CB 3.34Å; A17-C21 PolarHBondContact O-N 3.03Å; A17-C21 PolarHBondContact O-SG 2.87Å; A17-F216 VanDerWaalsContact CA-CE1 3.5Å; A17-F216 HydrophobicContact CB-CD1 4.1Å; A17-F216 HydrophobicContact CB-CD2 4.18Å; A17-F216 HydrophobicContact CB-CE1 3.69Å; A17-F216 HydrophobicContact CB-CE2 3.75Å; A17-F216 HydrophobicContact CB-CG 4.35Å; A17-F216 HydrophobicContact CB-CZ 3.49Å; A17-F216 VanDerWaalsContact CB-CZ 3.49Å; A17-L219 HydrophobicContact CB-CD1 3.55Å
18I91.1Very high87.9Confident81 Ų8123.4 Ų23.442%0.41512%0.12SC..Hα-helixtrans-65.4-55.4-176.5-61.2168.3000110.5S14 G20 C21 L22 L219S14-I18 WeakPolarHBondContact O-CB 3.18Å; S14-I18 PolarHBondContact O-N 3.41Å; S14-I18 VanDerWaalsContact O-N 3.11Å; I18-G20 PolarHBondContact O-N 3.1Å; I18-C21 PolarHBondContact O-N 3.32Å; I18-L22 HydrophobicContact CG2-CD1 3.84Å; I18-L22 WeakPolarHBondContact O-CB 3.15Å; I18-L22 WeakPolarHBondContact O-CG 3.02Å; I18-L22 PolarHBondContact O-N 2.99Å; I18-L219 HydrophobicContact CG1-CD1 4.24Å; I18-L219 HydrophobicContact CG1-CD2 4.36Å
19P89.2Confident88.6Confident23 Ų2322.7 Ų22.715%0.14912%0.117CC..Hα-helixtrans-71.5-32.9-178.2-17.534.7000112.4L15 T23 F251L15-P19 WeakPolarHBondContact O-CD 3.46Å; L15-P19 VanDerWaalsContact O-CG 3.25Å; L15-P19 WeakPolarHBondContact O-CG 3.47Å; P19-T23 VanDerWaalsContact O-CB 3.23Å; P19-T23 WeakPolarHBondContact O-CB 3.43Å; P19-T23 PolarHBondContact O-N 3.18Å; P19-T23 PolarHBondContact O-OG1 3.21Å; P19-F251 HydrophobicContact CB-CB 3.71Å; P19-F251 HydrophobicContact CB-CD1 3.93Å; P19-F251 HydrophobicContact CB-CD2 3.33Å; P19-F251 HydrophobicContact CB-CE1 4.39Å; P19-F251 HydrophobicContact CB-CE2 3.85Å; P19-F251 HydrophobicContact CB-CG 3.39Å; P19-F251 HydrophobicContact CB-CZ 4.36Å; P19-F251 HydrophobicContact CG-CD2 3.79Å; P19-F251 HydrophobicContact CG-CE2 4.12Å; P19-F251 HydrophobicContact CG-CG 4.33Å
20G89.5Confident89.1Confident0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-64.1-42.5175.800000112.6L16 I18 G24L16-G20 WeakPolarHBondContact O-CA 3.31Å; L16-G20 PolarHBondContact O-N 2.95Å; I18-G20 PolarHBondContact O-N 3.1Å; G20-G24 PolarHBondContact O-N 2.79Å
21C91.9Very high89.6Confident1 Ų116.8 Ų16.81%0.00710%0.095CC..Hα-helixtrans-69.4-45.8175.5-670000111.7A17 I18 G24 S25 L219 S223A17-C21 WeakPolarHBondContact O-CB 3.34Å; A17-C21 PolarHBondContact O-N 3.03Å; A17-C21 PolarHBondContact O-SG 2.87Å; I18-C21 PolarHBondContact O-N 3.32Å; C21-G24 PolarHBondContact O-N 2.76Å; C21-S25 WeakPolarHBondContact O-CB 3.37Å; C21-S25 PolarHBondContact O-N 3.05Å; C21-S25 PolarHBondContact O-OG 3.26Å; C21-L219 HydrophobicContact CB-CB 4.31Å; C21-S223 PolarHBondContact O-OG 3.36Å
22L92.9Very high89.9Confident41 Ų4114.8 Ų14.822%0.2158%0.083CC..Hα-helixtrans-60.2-52.6178-74.4168.8000111.8I18 G24 S25 W26 P247I18-L22 HydrophobicContact CG2-CD1 3.84Å; I18-L22 WeakPolarHBondContact O-CB 3.15Å; I18-L22 WeakPolarHBondContact O-CG 3.02Å; I18-L22 PolarHBondContact O-N 2.99Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 2.97Å; L22-S25 PolarHBondContact O-OG 3.16Å; L22-W26 HydrophobicContact CD2-CD2 4.45Å; L22-W26 HydrophobicContact CD2-CZ2 3.79Å; L22-W26 WeakPolarHBondContact O-CB 3.18Å; L22-W26 PolarHBondContact O-N 3.37Å; L22-P247 HydrophobicContact CB-CB 4.06Å
23T92.2Very high90.2Very high0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-64.3-40.2-179.1-49.80000111.1P19 I27 S162 T192 G248P19-T23 VanDerWaalsContact O-CB 3.23Å; P19-T23 WeakPolarHBondContact O-CB 3.43Å; P19-T23 PolarHBondContact O-N 3.18Å; P19-T23 PolarHBondContact O-OG1 3.21Å; T23-I27 HydrophobicContact CG2-CD1 3.95Å; T23-I27 WeakPolarHBondContact O-CD1 3.02Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; T23-S162 WeakPolarHBondContact CG2-OG 3.43Å; T23-T192 HydrophobicContact CG2-CG2 4.3Å; T23-G248 VanDerWaalsContact OG1-CA 3.3Å; T23-G248 WeakPolarHBondContact OG1-CA 3.29Å; T23-G248 PolarHBondContact OG1-N 3.05Å
24G87.9Confident90.5Very high2 Ų214.4 Ų14.42%0.0218%0.08CC..Hα-helixtrans-65-50.9178.700000112.9G20 C21 L22 F189G20-G24 PolarHBondContact O-N 2.79Å; C21-G24 PolarHBondContact O-N 2.76Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 2.97Å; G24-F189 WeakPolarHBondContact O-CD2 3.35Å; G24-F189 WeakPolarHBondContact O-CE2 3.38Å
25S90.6Very high90.7Very high0 Ų012.8 Ų12.80%07%0.069CC..Hα-helixtrans-74.7-41.3-17562.20000113C21 L22 I27 G28 F29 S223C21-S25 WeakPolarHBondContact O-CB 3.37Å; C21-S25 PolarHBondContact O-N 3.05Å; C21-S25 PolarHBondContact O-OG 3.26Å; L22-S25 PolarHBondContact O-OG 3.16Å; S25-I27 PolarHBondContact O-N 3.22Å; S25-G28 PolarHBondContact O-N 3.42Å; S25-F29 WeakPolarHBondContact O-CB 3.48Å; S25-F29 VanDerWaalsContact O-CD2 3.29Å; S25-F29 WeakPolarHBondContact O-CD2 3.29Å; S25-F29 PolarHBondContact O-N 3.26Å; S25-S223 WeakPolarHBondContact CB-OG 3.46Å; S25-S223 WeakPolarHBondContact OG-CB 3.3Å; S25-S223 PolarHBondContact OG-OG 3.42Å
26W94.7Very high90.7Very high22 Ų2210.5 Ų10.58%0.0836%0.058CC..Hα-helixtrans-67.2-35.9-171.8-7215000112.6L22 S30 S223 A226 L227 V230 T243 C244 P247L22-W26 HydrophobicContact CD2-CD2 4.45Å; L22-W26 HydrophobicContact CD2-CZ2 3.79Å; L22-W26 WeakPolarHBondContact O-CB 3.18Å; L22-W26 PolarHBondContact O-N 3.37Å; W26-S30 WeakPolarHBondContact O-CB 3.28Å; W26-S30 PolarHBondContact O-N 3.45Å; W26-S30 PolarHBondContact O-OG 3.39Å; W26-S223 PolarHBondContact NE1-O 2.97Å; W26-A226 HydrophobicContact CZ2-CB 4.18Å; W26-L227 HydrophobicContact CB-CD1 4.3Å; W26-L227 HydrophobicContact CD2-CD1 4.26Å; W26-L227 HydrophobicContact CG-CB 4.45Å; W26-L227 HydrophobicContact CG-CD1 4.01Å; W26-V230 HydrophobicContact CH2-CG2 4.11Å; W26-V230 HydrophobicContact CZ2-CG2 4.35Å; W26-T243 HydrophobicContact CZ3-CG2 4.43Å; W26-C244 HydrophobicContact CB-CB 4.11Å; W26-P247 HydrophobicContact CE3-CG 3.56Å; W26-P247 HydrophobicContact CH2-CG 4.38Å; W26-P247 HydrophobicContact CZ3-CG 3.51Å
27I90Very high90.6Very high8 Ų814.5 Ų14.54%0.0419%0.086CC..Hα-helixtrans-69.8-41-179.1-68.2177.6000111.7T23 S25 S30 F131 S162T23-I27 HydrophobicContact CG2-CD1 3.95Å; T23-I27 WeakPolarHBondContact O-CD1 3.02Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; S25-I27 PolarHBondContact O-N 3.22Å; I27-S30 PolarHBondContact O-OG 3.41Å; I27-F131 HydrophobicContact CG2-CE2 4.4Å; I27-F131 HydrophobicContact CG2-CZ 4.45Å; I27-S162 WeakPolarHBondContact CD1-OG 3.37Å
28G88.1Confident90.5Very high7 Ų715.1 Ų15.17%0.0729%0.09CC..Hα-helixtrans-71.7-54.6176.500000112.4S25 Q31S25-G28 PolarHBondContact O-N 3.42Å; G28-Q31 WeakPolarHBondContact O-CB 3.31Å; G28-Q31 PolarHBondContact O-N 3.15Å
29F90.5Very high90.3Very high5 Ų515.3 Ų15.32%0.02210%0.098CC..Hα-helixtrans-82.7-17.6-169-61.7-50.7000114.9S25 Q31 V32 F189 Y220 M224 L227 L345 F359S25-F29 WeakPolarHBondContact O-CB 3.48Å; S25-F29 VanDerWaalsContact O-CD2 3.29Å; S25-F29 WeakPolarHBondContact O-CD2 3.29Å; S25-F29 PolarHBondContact O-N 3.26Å; F29-Q31 PolarHBondContact O-N 3.36Å; F29-Q31 VanDerWaalsContact O-N 3.12Å; F29-V32 WeakPolarHBondContact O-CB 3.27Å; F29-V32 PolarHBondContact O-N 3.22Å; F29-V32 VanDerWaalsContact O-N 3.11Å; F29-F189 HydrophobicContact CE1-CZ 4.33Å; F29-F189 HydrophobicContact CZ-CZ 4.3Å; F29-Y220 AromaticContact CE2-CE1 3.9Å; F29-Y220 HydrophobicContact CE2-CE1 3.9Å; F29-Y220 AromaticContact CE2-CZ 3.7Å; F29-Y220 WeakPolarHBondContact CE2-OH 3.36Å; F29-Y220 HydrophobicContact CZ-CE1 4.3Å; F29-Y220 WeakPolarHBondContact CZ-OH 3.47Å; F29-M224 HydrophobicContact CD2-CE 3.94Å; F29-M224 HydrophobicContact CD2-CG 3.69Å; F29-M224 HydrophobicContact CD2-SD 4.03Å; F29-M224 HydrophobicContact CE1-CE 4.34Å; F29-M224 HydrophobicContact CE2-CE 3.58Å; F29-M224 HydrophobicContact CE2-CG 3.57Å; F29-M224 HydrophobicContact CE2-SD 3.37Å; F29-M224 WeakPolarHBondContact CE2-SD 3.22Å; F29-M224 HydrophobicContact CG-CE 4.44Å; F29-M224 HydrophobicContact CZ-CE 3.8Å; F29-M224 HydrophobicContact CZ-SD 3.93Å; F29-L227 HydrophobicContact CB-CD2 3.58Å; F29-L345 HydrophobicContact CD1-CD2 3.41Å; F29-L345 VanDerWaalsContact CD1-CD2 3.41Å; F29-L345 HydrophobicContact CE1-CD2 3.15Å; F29-L345 HydrophobicContact CG-CD2 4.4Å; F29-L345 HydrophobicContact CZ-CD2 3.98Å; F29-F359 HydrophobicContact CB-CE2 4.11Å; F29-F359 HydrophobicContact CB-CZ 3.56Å; F29-F359 HydrophobicContact CD2-CZ 4.39Å; F29-F359 HydrophobicContact CG-CE2 4.49Å; F29-F359 AromaticContact CG-CZ 3.97Å; F29-F359 HydrophobicContact CG-CZ 3.97Å
30S92.5Very high90.3Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-58.1-25.5171.658.10000112.2W26 I27 V32 F33 V34W26-S30 WeakPolarHBondContact O-CB 3.28Å; W26-S30 PolarHBondContact O-N 3.45Å; W26-S30 PolarHBondContact O-OG 3.39Å; I27-S30 PolarHBondContact O-OG 3.41Å; S30-V32 PolarHBondContact O-N 3.19Å; S30-F33 PolarHBondContact O-N 2.55Å; S30-F33 VanDerWaalsContact O-N 3.12Å; S30-V34 VanDerWaalsContact O-CG2 3.3Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 2.58Å
31Q90.7Very high90.3Very high3 Ų316.9 Ų16.91%0.01410%0.102CC..Hα-helixtrans-53.5-38.2176.5-168.771.110.400111.8G28 F29 F33 V34 V35 S127 M128G28-Q31 WeakPolarHBondContact O-CB 3.31Å; G28-Q31 PolarHBondContact O-N 3.15Å; F29-Q31 PolarHBondContact O-N 3.36Å; F29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-F33 VanDerWaalsContact C-N 3.27Å; Q31-F33 PolarHBondContact O-N 2.94Å; Q31-V34 PolarHBondContact O-N 3.27Å; Q31-V35 HydrophobicContact CG-CG1 4.45Å; Q31-V35 HydrophobicContact CG-CG2 4.5Å; Q31-V35 VanDerWaalsContact NE2-CG1 3.31Å; Q31-V35 VanDerWaalsContact O-CG2 3.27Å; Q31-V35 WeakPolarHBondContact O-CG2 3.37Å; Q31-V35 PolarHBondContact O-N 2.94Å; Q31-S127 PolarHBondContact NE2-OG 2.87Å; Q31-M128 HydrophobicContact CG-CG 3.8Å
32V89Confident90.1Very high9 Ų916.9 Ų16.96%0.05510%0.102CC..Hα-helixtrans-58-39.9-179.1-179.50000111.6F29 S30 M128 Y346F29-V32 WeakPolarHBondContact O-CB 3.27Å; F29-V32 PolarHBondContact O-N 3.22Å; F29-V32 VanDerWaalsContact O-N 3.11Å; S30-V32 PolarHBondContact O-N 3.19Å; V32-M128 HydrophobicContact CG2-CE 4.45Å; V32-Y346 HydrophobicContact CG2-CD1 3.9Å; V32-Y346 HydrophobicContact CG2-CE1 4.05Å
33F91.7Very high89.9Confident4 Ų418.4 Ų18.42%0.01811%0.108CC..Hα-helixtrans-83.4-35.9178.7-56-68.5000112.5S30 Q31 V35 A36 Y106 L227 A231 L240 Y356 F359S30-F33 PolarHBondContact O-N 2.55Å; S30-F33 VanDerWaalsContact O-N 3.12Å; Q31-F33 VanDerWaalsContact C-N 3.27Å; Q31-F33 PolarHBondContact O-N 2.94Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 PolarHBondContact O-N 3.23Å; F33-A36 WeakPolarHBondContact O-CB 3.48Å; F33-A36 PolarHBondContact O-N 3Å; F33-Y106 HydrophobicContact CD1-CE1 4.48Å; F33-L227 HydrophobicContact CE2-CD2 4.31Å; F33-L227 HydrophobicContact CE2-CG 4.19Å; F33-A231 HydrophobicContact CD1-CB 4.28Å; F33-A231 HydrophobicContact CD2-CB 3.8Å; F33-A231 HydrophobicContact CE1-CB 4.33Å; F33-A231 HydrophobicContact CE2-CB 3.84Å; F33-A231 HydrophobicContact CG-CB 4.01Å; F33-A231 HydrophobicContact CZ-CB 4.09Å; F33-L240 HydrophobicContact CB-CD2 3.67Å; F33-L240 HydrophobicContact CD2-CD2 4.35Å; F33-L240 HydrophobicContact CG-CD2 4.35Å; F33-Y356 AromaticContact CD1-CD1 3.66Å; F33-Y356 HydrophobicContact CD1-CD1 3.66Å; F33-Y356 AromaticContact CD1-CE1 3.62Å; F33-Y356 HydrophobicContact CD1-CE1 3.62Å; F33-Y356 AromaticContact CE1-CD1 3.46Å; F33-Y356 HydrophobicContact CE1-CD1 3.46Å; F33-Y356 VanDerWaalsContact CE1-CD1 3.46Å; F33-Y356 AromaticContact CE1-CE1 3.94Å; F33-Y356 HydrophobicContact CE1-CE1 3.94Å; F33-Y356 HydrophobicContact CE1-CG 4.38Å; F33-Y356 HydrophobicContact CG-CE1 4.34Å; F33-Y356 HydrophobicContact CZ-CD1 4.2Å; F33-F359 HydrophobicContact CE1-CB 4.19Å; F33-F359 HydrophobicContact CE1-CG 4.39Å; F33-F359 AromaticContact CE2-CD1 3.99Å; F33-F359 HydrophobicContact CE2-CD1 3.99Å; F33-F359 HydrophobicContact CE2-CD2 4.27Å; F33-F359 HydrophobicContact CE2-CE1 4.27Å; F33-F359 HydrophobicContact CE2-CG 4.02Å; F33-F359 HydrophobicContact CZ-CB 3.61Å; F33-F359 AromaticContact CZ-CD1 3.71Å; F33-F359 HydrophobicContact CZ-CD1 3.71Å; F33-F359 AromaticContact CZ-CD2 3.91Å; F33-F359 HydrophobicContact CZ-CD2 3.91Å; F33-F359 HydrophobicContact CZ-CE1 4.43Å; F33-F359 AromaticContact CZ-CG 3.44Å; F33-F359 HydrophobicContact CZ-CG 3.44Å; F33-F359 VanDerWaalsContact CZ-CG 3.44Å
34V92.9Very high89.5Confident0 Ų018.9 Ų18.90%011%0.111CC..Hα-helixtrans-65.8-37.8-177.1170.50000111.8S30 Q31 L110 F178 W237 L240 L241S30-V34 VanDerWaalsContact O-CG2 3.3Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 2.58Å; Q31-V34 PolarHBondContact O-N 3.27Å; V34-L110 HydrophobicContact CG1-CB 4.22Å; V34-L110 VanDerWaalsContact O-CB 3.29Å; V34-L110 WeakPolarHBondContact O-CB 3.35Å; V34-L110 PolarHBondContact O-N 2.76Å; V34-F178 HydrophobicContact CG1-CE2 4.05Å; V34-F178 HydrophobicContact CG1-CZ 3.62Å; V34-W237 HydrophobicContact CB-CB 4.3Å; V34-W237 HydrophobicContact CG1-CB 4.11Å; V34-W237 HydrophobicContact CG1-CD2 4.19Å; V34-W237 HydrophobicContact CG1-CE3 3.64Å; V34-W237 HydrophobicContact CG1-CG 4.44Å; V34-W237 HydrophobicContact CG1-CZ3 4.45Å; V34-W237 HydrophobicContact CG2-CB 4.11Å; V34-L240 HydrophobicContact CG2-CD2 4.42Å; V34-L241 HydrophobicContact CG2-CD1 4.34Å; V34-L241 HydrophobicContact CG2-CD2 4.19Å; V34-L241 HydrophobicContact CG2-CG 3.99Å
35V91.1Very high89.1Confident9 Ų920.7 Ų20.76%0.05512%0.123CC..THydrogen-bonded Turntrans-10214.7-179-49.50000113.1Q31 F33 S37 L110 A124 M128Q31-V35 HydrophobicContact CG-CG1 4.45Å; Q31-V35 HydrophobicContact CG-CG2 4.5Å; Q31-V35 VanDerWaalsContact NE2-CG1 3.31Å; Q31-V35 VanDerWaalsContact O-CG2 3.27Å; Q31-V35 WeakPolarHBondContact O-CG2 3.37Å; Q31-V35 PolarHBondContact O-N 2.94Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 PolarHBondContact O-N 3.23Å; V35-S37 PolarHBondContact O-N 3.46Å; V35-L110 HydrophobicContact CG1-CD2 4.01Å; V35-A124 HydrophobicContact CB-CB 4.12Å; V35-A124 HydrophobicContact CG2-CB 4.44Å; V35-M128 HydrophobicContact CG2-CG 3.95Å; V35-M128 HydrophobicContact CG2-SD 3.86Å
36A89Confident88.4Confident5 Ų523.1 Ų23.14%0.04114%0.135CC..  trans-60.7136.2175.600000110.7F33 P38 Y106 T109F33-A36 WeakPolarHBondContact O-CB 3.48Å; F33-A36 PolarHBondContact O-N 3Å; A36-P38 VanDerWaalsContact O-CD 3.31Å; A36-P38 WeakPolarHBondContact O-CD 3.43Å; A36-Y106 HydrophobicContact CB-CD1 4.28Å; A36-Y106 HydrophobicContact CB-CD2 4.39Å; A36-Y106 HydrophobicContact CB-CE1 3.61Å; A36-Y106 HydrophobicContact CB-CE2 3.72Å; A36-Y106 WeakPolarHBondContact CB-OH 3.23Å; A36-T109 HydrophobicContact CB-CG2 4.29Å; A36-T109 WeakPolarHBondContact O-CB 3.32Å; A36-T109 WeakPolarHBondContact O-CG2 3.32Å; A36-T109 PolarHBondContact O-OG1 3.45Å
37S86.8Confident87.6Confident85 Ų8527.1 Ų27.159%0.59416%0.158SC*.  trans-105.999.2179.842.80000109.6V35V35-S37 PolarHBondContact O-N 3.46Å
38P88.4Confident86.8Confident13 Ų1328.3 Ų28.38%0.08417%0.165CC..  trans-68162.3173.827-31.4000111.2A36 H40 Y101 D102 Y106 T112A36-P38 VanDerWaalsContact O-CD 3.31Å; A36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-H40 PolarHBondContact O-N 2.82Å; P38-H40 PolarHBondContact O-ND1 2.94Å; P38-Y101 HydrophobicContact CG-CD1 4.04Å; P38-Y101 HydrophobicContact CG-CG 4.49Å; P38-D102 WeakPolarHBondContact CB-O 3.46Å; P38-Y106 HydrophobicContact CB-CD2 4.45Å; P38-T112 HydrophobicContact CG-CG2 3.36Å
39S87Confident86Confident84 Ų8432.9 Ų32.959%0.58719%0.191SC*.  trans-59.2136.4172.4-66.40000109.7D102S39-D102 PolarHBondContact O-N 2.9Å
40H89.4Confident85.4Confident33 Ų3337.2 Ų37.215%0.15321%0.214CC..EExtended strand (participates in β ladder)trans-139.4158.2-173.755.9-83.9000111.5P38 S72 T100 Y101P38-H40 PolarHBondContact O-N 2.82Å; P38-H40 PolarHBondContact O-ND1 2.94Å; H40-S72 PolarHBondContact CD2-O 3.21Å; H40-S72 WeakPolarHBondContact O-CA 3.36Å; H40-S72 WeakPolarHBondContact O-CB 3.36Å; H40-T100 VanDerWaalsContact CA-O 3.24Å; H40-T100 WeakPolarHBondContact CA-O 3.3Å; H40-Y101 HydrophobicContact CB-CD1 3.57Å; H40-Y101 HydrophobicContact CB-CE1 3.75Å; H40-Y101 HydrophobicContact CB-CG 4.46Å
41W89.2Confident84.4Confident24 Ų2438.2 Ų38.29%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-148165.5176.848.895.8000110.3H43 E55 K59 I63 T100 D102W41-H43 PolarHBondContact O-N 2.6Å; W41-E55 WeakPolarHBondContact CZ2-OE1 3.27Å; W41-E55 PolarHBondContact NE1-OE1 2.9Å; W41-K59 VanDerWaalsContact CD2-NZ 3.3Å; W41-K59 VanDerWaalsContact CE3-NZ 3.26Å; W41-K59 VanDerWaalsContact NE1-CE 3.25Å; W41-I63 HydrophobicContact CB-CD1 3.59Å; W41-I63 HydrophobicContact CG-CD1 4.27Å; W41-T100 HydrophobicContact CZ2-CG2 3.7Å; W41-T100 PolarHBondContact N-O 3.14Å; W41-T100 VanDerWaalsContact NE1-CB 3.35Å; W41-T100 PolarHBondContact O-N 3.26Å; W41-D102 HydrophobicContact CH2-CB 3.9Å; W41-D102 HydrophobicContact CZ3-CB 3.99Å
42C88.6Confident83.8Confident1 Ų146.5 Ų46.51%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-59.2134.6176.2-57.10000111.3K74 Q75 C95C42-K74 VanDerWaalsContact SG-C 3.51Å; C42-Q75 HydrophobicContact CB-CB 4.13Å; C42-Q75 HydrophobicContact CB-CG 4.36Å; C42-Q75 VanDerWaalsContact SG-CB 3.51Å; C42-C95 WeakPolarHBondContact CA-SG 3.45Å; C42-C95 HydrophobicContact CB-CB 3.7Å; C42-C95 WeakPolarHBondContact CB-SG 3.43Å; C42-C95 WeakPolarHBondContact SG-CB 3.4Å; C42-C95 CovalentContact SG-SG 2.01Å; C42-C95 PolarHBondContact SG-SG 2.87Å
43H87.6Confident83.4Confident73 Ų7348.2 Ų48.234%0.33827%0.267SS..PPolyproline II helixtrans-71.5136.7175-166.975.5000110.8W41 H97 G98 T100W41-H43 PolarHBondContact O-N 2.6Å; H43-H97 WeakPolarHBondContact CB-O 3.25Å; H43-G98 PolarHBondContact N-O 3.47Å; H43-T100 PolarHBondContact ND1-OG1 3.23Å
44P84.1Confident83Confident10 Ų1051.7 Ų51.77%0.06529%0.288CS..PPolyproline II helixtrans-64.5145.6174.427.3-34.1000111I46 L48 W58P44-I46 VanDerWaalsContact C-N 3.25Å; P44-I46 PolarHBondContact O-N 3.4Å; P44-L48 HydrophobicContact CB-CD2 4.06Å; P44-L48 HydrophobicContact CB-CG 4.38Å; P44-L48 HydrophobicContact CG-CD1 4.33Å; P44-L48 HydrophobicContact CG-CD2 4.17Å; P44-L48 HydrophobicContact CG-CG 3.97Å; P44-W58 HydrophobicContact CB-CD2 4.05Å; P44-W58 HydrophobicContact CB-CG 4.42Å; P44-W58 HydrophobicContact CB-CZ2 3.92Å
45P79.3Confident82.5Confident39 Ų3955.6 Ų55.625%0.25331%0.306SS..SBendtrans-68.3-24.9179.730.4-39000113.4W58 Y78 V80P45-W58 HydrophobicContact CG-CH2 4.31Å; P45-Y78 HydrophobicContact CB-CE2 3.96Å; P45-Y78 HydrophobicContact CG-CD2 4.31Å; P45-Y78 HydrophobicContact CG-CE2 3.48Å; P45-Y78 VanDerWaalsContact CG-CE2 3.48Å; P45-V80 HydrophobicContact CG-CG2 4.14Å
46I76.6Confident82.1Confident51 Ų5160.5 Ų60.526%0.26233%0.332SS..SBendtrans-129.5148-174.7-60.7177.4000107.9P44 L48 D50 L51 V80P44-I46 VanDerWaalsContact C-N 3.25Å; P44-I46 PolarHBondContact O-N 3.4Å; I46-L48 PolarHBondContact O-N 3.14Å; I46-D50 HydrophobicContact CG2-CB 4.14Å; I46-L51 HydrophobicContact CB-CD1 4.23Å; I46-L51 HydrophobicContact CG2-CD1 4.43Å; I46-L51 HydrophobicContact CG2-CG 4.41Å; I46-V80 HydrophobicContact CD1-CB 4.18Å; I46-V80 HydrophobicContact CD1-CG1 3.3Å; I46-V80 HydrophobicContact CD1-CG2 4.32Å
47N77.2Confident81.9Confident106 Ų10664.6 Ų64.657%0.56735%0.35SS*.  trans-56.4124173.8-75.8-26.5000109.9T49 D50N47-T49 PolarHBondContact O-N 2.91Å; N47-D50 WeakPolarHBondContact O-CB 3.27Å; N47-D50 PolarHBondContact O-N 3.47Å
48L73.3Confident81.8Confident34 Ų3460.6 Ų60.618%0.17832%0.322CS..THydrogen-bonded Turntrans-56.9-24.8-178.2-67.2171.5000113.1P44 I46 D50 L51 H52 L53 E55 W58P44-L48 HydrophobicContact CB-CD2 4.06Å; P44-L48 HydrophobicContact CB-CG 4.38Å; P44-L48 HydrophobicContact CG-CD1 4.33Å; P44-L48 HydrophobicContact CG-CD2 4.17Å; P44-L48 HydrophobicContact CG-CG 3.97Å; I46-L48 PolarHBondContact O-N 3.14Å; L48-D50 VanDerWaalsContact C-N 3.3Å; L48-D50 PolarHBondContact O-N 3.22Å; L48-L51 PolarHBondContact O-N 3.4Å; L48-H52 PolarHBondContact O-N 3.29Å; L48-L53 WeakPolarHBondContact CB-O 2.91Å; L48-L53 HydrophobicContact CD2-CB 4.24Å; L48-L53 PolarHBondContact O-N 3.25Å; L48-E55 HydrophobicContact CD1-CB 4.05Å; L48-W58 HydrophobicContact CD2-CB 3.68Å; L48-W58 HydrophobicContact CD2-CD2 4.15Å; L48-W58 HydrophobicContact CD2-CE3 4.3Å; L48-W58 HydrophobicContact CD2-CG 3.87Å
49T72Confident81.6Confident103 Ų10361.5 Ų61.563%0.63233%0.325SS*.THydrogen-bonded Turntrans-60.3-38.4174.250.10000112.6N47 L51 H52N47-T49 PolarHBondContact O-N 2.91Å; T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 3.13Å; T49-H52 PolarHBondContact O-N 3.36Å
50D76.7Confident81.6Confident95 Ų9562 Ų6251%0.50832%0.321SS..THydrogen-bonded Turntrans-76.1-22.4-176.5-55.2-18.1000110.9I46 N47 L48I46-D50 HydrophobicContact CG2-CB 4.14Å; N47-D50 WeakPolarHBondContact O-CB 3.27Å; N47-D50 PolarHBondContact O-N 3.47Å; L48-D50 VanDerWaalsContact C-N 3.3Å; L48-D50 PolarHBondContact O-N 3.22Å
51L72.6Confident81.3Confident22 Ų2263.2 Ų63.212%0.11533%0.327CS..THydrogen-bonded Turntrans-93.3-2.1176.1-68.5167.6000113.3I46 L48 T49 L53 T83 V85I46-L51 HydrophobicContact CB-CD1 4.23Å; I46-L51 HydrophobicContact CG2-CD1 4.43Å; I46-L51 HydrophobicContact CG2-CG 4.41Å; L48-L51 PolarHBondContact O-N 3.4Å; T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 3.13Å; L51-L53 HydrophobicContact CB-CB 4.29Å; L51-L53 HydrophobicContact CB-CD1 3.87Å; L51-L53 HydrophobicContact CB-CG 3.97Å; L51-L53 HydrophobicContact CD1-CD1 4.26Å; L51-L53 PolarHBondContact O-N 3.38Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L51-T83 VanDerWaalsContact CD2-O 3.26Å; L51-T83 WeakPolarHBondContact CD2-O 2.88Å; L51-V85 HydrophobicContact CD1-CG2 3.89Å; L51-V85 HydrophobicContact CD2-CG2 3.76Å
52H77.9Confident81.1Confident177 Ų17762.1 Ų62.182%0.81932%0.323SS*.THydrogen-bonded Turntrans51.930.5-169.9-63-65.9000113.8L48 T49L48-H52 PolarHBondContact O-N 3.29Å; T49-H52 PolarHBondContact O-N 3.36Å
53L79.9Confident81.1Confident45 Ų4562.2 Ų62.224%0.23632%0.324CS..  trans-103.3144.3-178.8-70.8173.4000111.2L48 L51 Q57 W58 M61L48-L53 WeakPolarHBondContact CB-O 2.91Å; L48-L53 HydrophobicContact CD2-CB 4.24Å; L48-L53 PolarHBondContact O-N 3.25Å; L51-L53 HydrophobicContact CB-CB 4.29Å; L51-L53 HydrophobicContact CB-CD1 3.87Å; L51-L53 HydrophobicContact CB-CG 3.97Å; L51-L53 HydrophobicContact CD1-CD1 4.26Å; L51-L53 PolarHBondContact O-N 3.38Å; L51-L53 VanDerWaalsContact O-N 3.16Å; L53-Q57 HydrophobicContact CD2-CB 4.19Å; L53-W58 HydrophobicContact CD1-CE3 4.38Å; L53-M61 HydrophobicContact CD1-CE 3.5Å; L53-M61 HydrophobicContact CD2-CE 3.61Å; L53-M61 HydrophobicContact CG-CE 4.19Å
54T84.1Confident81.1Confident77 Ų7759 Ų5947%0.47231%0.309SS..  trans-83.8155.516560.80000110.3L56 Q57 W58T54-L56 PolarHBondContact O-N 2.62Å; T54-Q57 WeakPolarHBondContact O-CB 3.5Å; T54-Q57 PolarHBondContact O-N 3.49Å; T54-Q57 VanDerWaalsContact O-N 3.09Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.28Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.39Å; T54-Q57 PolarHBondContact OG1-N 3.45Å; T54-Q57 PolarHBondContact OG1-OE1 3.31Å; T54-W58 PolarHBondContact O-N 3.39Å
55E81.4Confident81.1Confident81 Ų8164.9 Ų64.938%0.37934%0.339SS..Hα-helixtrans-57.6-36.1176.3-180166.9-13900112.7W41 L48 W58 K59 T100W41-E55 WeakPolarHBondContact CZ2-OE1 3.27Å; W41-E55 PolarHBondContact NE1-OE1 2.9Å; L48-E55 HydrophobicContact CD1-CB 4.05Å; E55-W58 PolarHBondContact O-N 3.25Å; E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3.04Å; E55-T100 WeakPolarHBondContact OE1-CG2 3.08Å
56L83.8Confident81.1Confident112 Ų11265.7 Ų65.759%0.58635%0.346SS*.Hα-helixtrans-67-39.7176.6-172.568.9000112.2T54 K59 N60T54-L56 PolarHBondContact O-N 2.62Å; L56-K59 PolarHBondContact O-N 2.85Å; L56-N60 PolarHBondContact O-N 3.47Å; L56-N60 VanDerWaalsContact O-N 3.09Å; L56-N60 PolarHBondContact O-ND2 3.21Å
57Q83.9Confident80.7Confident91 Ų9171.7 Ų71.743%0.42538%0.378SS..Hα-helixtrans-64.8-42.4174.9-74.8164.5-37.800110.9L53 T54 N60 M61L53-Q57 HydrophobicContact CD2-CB 4.19Å; T54-Q57 WeakPolarHBondContact O-CB 3.5Å; T54-Q57 PolarHBondContact O-N 3.49Å; T54-Q57 VanDerWaalsContact O-N 3.09Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.28Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.39Å; T54-Q57 PolarHBondContact OG1-N 3.45Å; T54-Q57 PolarHBondContact OG1-OE1 3.31Å; Q57-N60 PolarHBondContact O-N 2.78Å; Q57-M61 WeakPolarHBondContact O-CB 3.42Å; Q57-M61 VanDerWaalsContact O-CG 3.3Å; Q57-M61 WeakPolarHBondContact O-CG 3.3Å; Q57-M61 PolarHBondContact O-N 2.85Å; Q57-M61 VanDerWaalsContact O-N 3.12Å
58W84.1Confident80.4Confident2 Ų270.9 Ų70.91%0.00839%0.386CS..Hα-helixtrans-58.8-49.4174.6178.1-104.2000112P44 P45 L48 L53 T54 E55 N60 M61 A62 Y78 V85P44-W58 HydrophobicContact CB-CD2 4.05Å; P44-W58 HydrophobicContact CB-CG 4.42Å; P44-W58 HydrophobicContact CB-CZ2 3.92Å; P45-W58 HydrophobicContact CG-CH2 4.31Å; L48-W58 HydrophobicContact CD2-CB 3.68Å; L48-W58 HydrophobicContact CD2-CD2 4.15Å; L48-W58 HydrophobicContact CD2-CE3 4.3Å; L48-W58 HydrophobicContact CD2-CG 3.87Å; L53-W58 HydrophobicContact CD1-CE3 4.38Å; T54-W58 PolarHBondContact O-N 3.39Å; E55-W58 PolarHBondContact O-N 3.25Å; W58-N60 VanDerWaalsContact C-N 3.31Å; W58-N60 PolarHBondContact O-N 3.35Å; W58-M61 PolarHBondContact O-N 3.16Å; W58-A62 HydrophobicContact CD2-CB 3.94Å; W58-A62 HydrophobicContact CE3-CB 4.29Å; W58-A62 HydrophobicContact CH2-CB 3.91Å; W58-A62 HydrophobicContact CZ2-CB 3.52Å; W58-A62 HydrophobicContact CZ3-CB 4.28Å; W58-A62 PolarHBondContact O-N 3Å; W58-Y78 HydrophobicContact CH2-CD1 4.49Å; W58-V85 HydrophobicContact CH2-CG1 4.46Å; W58-V85 HydrophobicContact CZ3-CG1 4.12Å; W58-V85 HydrophobicContact CZ3-CG2 4.44Å
59K85.5Confident80.6Confident32 Ų3270.7 Ų70.714%0.13939%0.393CS..Hα-helixtrans-54.9-45.8177-74.1178178.7-177.80112.3W41 E55 L56 M61 I63 F70W41-K59 VanDerWaalsContact CD2-NZ 3.3Å; W41-K59 VanDerWaalsContact CE3-NZ 3.26Å; W41-K59 VanDerWaalsContact NE1-CE 3.25Å; E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3.04Å; L56-K59 PolarHBondContact O-N 2.85Å; K59-M61 PolarHBondContact O-N 3.41Å; K59-I63 HydrophobicContact CB-CD1 4.47Å; K59-I63 HydrophobicContact CG-CD1 4.1Å; K59-I63 WeakPolarHBondContact O-CB 3.46Å; K59-I63 PolarHBondContact O-N 2.98Å; K59-F70 HydrophobicContact CB-CD1 4.38Å; K59-F70 HydrophobicContact CB-CD2 4.49Å; K59-F70 HydrophobicContact CB-CE1 4.23Å; K59-F70 HydrophobicContact CB-CE2 4.33Å; K59-F70 HydrophobicContact CB-CZ 4.21Å; K59-F70 WeakPolarHBondContact O-CE1 3.39Å
60N86Confident81.1Confident94 Ų9469.2 Ų69.250%0.50338%0.378SS..Hα-helixtrans-64.6-27.8178.5-81-33.1000113.9L56 Q57 W58 F70L56-N60 PolarHBondContact O-N 3.47Å; L56-N60 VanDerWaalsContact O-N 3.09Å; L56-N60 PolarHBondContact O-ND2 3.21Å; Q57-N60 PolarHBondContact O-N 2.78Å; W58-N60 VanDerWaalsContact C-N 3.31Å; W58-N60 PolarHBondContact O-N 3.35Å; N60-F70 WeakPolarHBondContact OD1-CZ 3.32Å
61M83.9Confident81.5Confident59 Ų5965.7 Ų65.729%0.29136%0.361SS..Hα-helixtrans-91.9-48.4-175.5-73.5-167.1-59.900112.3L53 Q57 W58 K59 I87L53-M61 HydrophobicContact CD1-CE 3.5Å; L53-M61 HydrophobicContact CD2-CE 3.61Å; L53-M61 HydrophobicContact CG-CE 4.19Å; Q57-M61 WeakPolarHBondContact O-CB 3.42Å; Q57-M61 VanDerWaalsContact O-CG 3.3Å; Q57-M61 WeakPolarHBondContact O-CG 3.3Å; Q57-M61 PolarHBondContact O-N 2.85Å; Q57-M61 VanDerWaalsContact O-N 3.12Å; W58-M61 PolarHBondContact O-N 3.16Å; K59-M61 PolarHBondContact O-N 3.41Å; M61-I87 HydrophobicContact CB-CD1 3.57Å
62A85.2Confident82Confident0 Ų067 Ų670%037%0.371CS..Hα-helixtrans-96.8-13.1-167.800000114.2W58 Q75 Y76 I87W58-A62 HydrophobicContact CD2-CB 3.94Å; W58-A62 HydrophobicContact CE3-CB 4.29Å; W58-A62 HydrophobicContact CH2-CB 3.91Å; W58-A62 HydrophobicContact CZ2-CB 3.52Å; W58-A62 HydrophobicContact CZ3-CB 4.28Å; W58-A62 PolarHBondContact O-N 3Å; A62-Q75 CarbonylContact O-C 3.55Å; A62-Q75 WeakPolarHBondContact O-CA 3.3Å; A62-Q75 WeakPolarHBondContact O-CB 3.36Å; A62-Y76 PolarHBondContact O-N 3.33Å; A62-I87 HydrophobicContact CB-CD1 4.43Å
63I88Confident82.6Confident4 Ų460.2 Ų60.22%0.02134%0.344CS..SBendtrans-117.2126.5-171.5-52-174.2000110.9W41 K59 F70 S71W41-I63 HydrophobicContact CB-CD1 3.59Å; W41-I63 HydrophobicContact CG-CD1 4.27Å; K59-I63 HydrophobicContact CB-CD1 4.47Å; K59-I63 HydrophobicContact CG-CD1 4.1Å; K59-I63 WeakPolarHBondContact O-CB 3.46Å; K59-I63 PolarHBondContact O-N 2.98Å; I63-F70 HydrophobicContact CB-CD1 4.26Å; I63-F70 HydrophobicContact CG2-CB 3.9Å; I63-F70 HydrophobicContact CG2-CD1 4.39Å; I63-S71 WeakPolarHBondContact CG2-O 3.36Å
64P88.4Confident83Confident4 Ų462.5 Ų62.53%0.02635%0.352CS..  trans-65.7151.4175.824.1-30000111.8S71 K74 Y76 E92P64-S71 WeakPolarHBondContact O-CB 3.38Å; P64-S71 PolarHBondContact O-N 2.96Å; P64-K74 WeakPolarHBondContact CD-O 3.37Å; P64-K74 HydrophobicContact CG-CB 4.08Å; P64-Y76 WeakPolarHBondContact CA-OH 3.35Å; P64-Y76 HydrophobicContact CB-CE1 3.94Å; P64-Y76 HydrophobicContact CB-CE2 4.1Å; P64-E92 HydrophobicContact CG-CG 4.47Å
65L83.9Confident83.3Confident135 Ų13559 Ų5971%0.70733%0.33SS*.EExtended strand (participates in β ladder)trans-82.7140172.5-70165.8000109.8F70L65-F70 HydrophobicContact CD2-CD1 3.97Å; L65-F70 HydrophobicContact CD2-CE1 3.95Å
66S78.1Confident83.6Confident55 Ų5557.1 Ų57.139%0.38532%0.32SS..EExtended strand (participates in β ladder)trans-120.2171.6174.272.80000109.6A68 G69S66-A68 PolarHBondContact O-N 2.83Å; S66-G69 CarbonylContact C-O 3.58Å; S66-G69 WeakPolarHBondContact CA-O 3.45Å; S66-G69 PolarHBondContact N-O 3.39Å; S66-G69 PolarHBondContact O-N 3.03Å; S66-G69 PolarHBondContact OG-O 3.33Å
67D69.8Low83.8Confident178 Ų17855.6 Ų55.695%0.95231%0.309SS*.THydrogen-bonded Turntrans-55-25.8179.9-66.5-29.2000114
68A69.1Low83.9Confident88 Ų8853.1 Ų53.173%0.72730%0.297SS*.THydrogen-bonded Turntrans-103.66.8-177.700000114.4S66S66-A68 PolarHBondContact O-N 2.83Å
69G78.4Confident83.9Confident31 Ų3159.5 Ų59.532%0.3233%0.326SS..EExtended strand (participates in β ladder)trans118.6-147.3-171.900000111.5S66S66-G69 CarbonylContact C-O 3.58Å; S66-G69 WeakPolarHBondContact CA-O 3.45Å; S66-G69 PolarHBondContact N-O 3.39Å; S66-G69 PolarHBondContact O-N 3.03Å; S66-G69 PolarHBondContact OG-O 3.33Å
70F82.9Confident83.6Confident72 Ų7260.2 Ų60.232%0.31633%0.333SS..EExtended strand (participates in β ladder)trans-61.5139.9176.5-61.6-74.9000111.9K59 N60 I63 L65 S72K59-F70 HydrophobicContact CB-CD1 4.38Å; K59-F70 HydrophobicContact CB-CD2 4.49Å; K59-F70 HydrophobicContact CB-CE1 4.23Å; K59-F70 HydrophobicContact CB-CE2 4.33Å; K59-F70 HydrophobicContact CB-CZ 4.21Å; K59-F70 WeakPolarHBondContact O-CE1 3.39Å; N60-F70 WeakPolarHBondContact OD1-CZ 3.32Å; I63-F70 HydrophobicContact CB-CD1 4.26Å; I63-F70 HydrophobicContact CG2-CB 3.9Å; I63-F70 HydrophobicContact CG2-CD1 4.39Å; L65-F70 HydrophobicContact CD2-CD1 3.97Å; L65-F70 HydrophobicContact CD2-CE1 3.95Å; F70-S72 PolarHBondContact O-N 3.42Å
71S84.1Confident83.3Confident21 Ų2159 Ų5915%0.14733%0.332CS..  trans-60.7128.7171.9-175.80000109.8I63 P64I63-S71 WeakPolarHBondContact CG2-O 3.36Å; P64-S71 WeakPolarHBondContact O-CB 3.38Å; P64-S71 PolarHBondContact O-N 2.96Å
72S84.7Confident83Confident48 Ų4865.4 Ų65.434%0.33636%0.362SS..SBendtrans-80-23.2-177.558.40000113.1H40 F70 W99H40-S72 PolarHBondContact CD2-O 3.21Å; H40-S72 WeakPolarHBondContact O-CA 3.36Å; H40-S72 WeakPolarHBondContact O-CB 3.36Å; F70-S72 PolarHBondContact O-N 3.42Å; S72-W99 VanDerWaalsContact O-CZ3 3.3Å; S72-W99 WeakPolarHBondContact O-CZ3 3.49Å
73C89Confident82.5Confident36 Ų3670 Ų7024%0.24339%0.389CS..SBendtrans-117.9-7.3-166.7-63.40000115.2C118C73-C118 WeakPolarHBondContact CA-SG 3.45Å; C73-C118 HydrophobicContact CB-CB 3.8Å; C73-C118 WeakPolarHBondContact CB-SG 3.22Å; C73-C118 WeakPolarHBondContact SG-CB 3.16Å; C73-C118 CovalentContact SG-SG 2.02Å; C73-C118 PolarHBondContact SG-SG 3.42Å
74K89.1Confident81.9Confident93 Ų9375.1 Ų75.140%0.40442%0.416SS..EExtended strand (participates in β ladder)trans-127.2151.8-175.9-57.9-168.9-174.6-174.30111.1C42 P64 E92 L93C42-K74 VanDerWaalsContact SG-C 3.51Å; P64-K74 WeakPolarHBondContact CD-O 3.37Å; P64-K74 HydrophobicContact CG-CB 4.08Å; K74-E92 HydrophobicContact CD-CB 4.19Å; K74-E92 WeakPolarHBondContact CD-OE2 3.38Å; K74-E92 IonicContact NZ-OE2 2.62Å; K74-E92 PolarHBondContact NZ-OE2 2.83Å; K74-L93 WeakPolarHBondContact CA-O 3.49Å
75Q89.5Confident81.5Confident4 Ų476.5 Ų76.52%0.01942%0.424CS..EExtended strand (participates in β ladder)trans-132.2158.9170.452.6-175.81.100109.8C42 A62 L93 E94 S96C42-Q75 HydrophobicContact CB-CB 4.13Å; C42-Q75 HydrophobicContact CB-CG 4.36Å; C42-Q75 VanDerWaalsContact SG-CB 3.51Å; A62-Q75 CarbonylContact O-C 3.55Å; A62-Q75 WeakPolarHBondContact O-CA 3.3Å; A62-Q75 WeakPolarHBondContact O-CB 3.36Å; Q75-L93 PolarHBondContact N-O 3.07Å; Q75-L93 PolarHBondContact O-N 3.21Å; Q75-E94 PolarHBondContact NE2-O 3.46Å; Q75-S96 VanDerWaalsContact NE2-N 3.19Å; Q75-S96 PolarHBondContact NE2-OG 3.4Å; Q75-S96 VanDerWaalsContact NE2-OG 3.15Å
76Y88.7Confident81.4Confident41 Ų4173.5 Ų73.516%0.16141%0.411CS..EExtended strand (participates in β ladder)trans-70.7150.1167-66.9-59000110.4A62 P64 Y78 I87 R89 T91 E92A62-Y76 PolarHBondContact O-N 3.33Å; P64-Y76 WeakPolarHBondContact CA-OH 3.35Å; P64-Y76 HydrophobicContact CB-CE1 3.94Å; P64-Y76 HydrophobicContact CB-CE2 4.1Å; Y76-Y78 WeakPolarHBondContact O-CD1 3.43Å; Y76-Y78 PolarHBondContact O-N 3.04Å; Y76-I87 HydrophobicContact CD2-CG2 4.34Å; Y76-I87 HydrophobicContact CG-CG2 4.24Å; Y76-R89 HydrophobicContact CD1-CB 4.22Å; Y76-R89 HydrophobicContact CD1-CG 4.45Å; Y76-R89 HydrophobicContact CD2-CG 4.17Å; Y76-R89 HydrophobicContact CE1-CB 4.12Å; Y76-R89 HydrophobicContact CE1-CG 4.48Å; Y76-R89 WeakPolarHBondContact CE1-O 3.4Å; Y76-R89 HydrophobicContact CE2-CG 4.21Å; Y76-R89 HydrophobicContact CG-CG 4.29Å; Y76-T91 WeakPolarHBondContact CA-O 3.48Å; Y76-E92 HydrophobicContact CE1-CG 4.46Å
77E87.3Confident81.8Confident79 Ų7973 Ų7337%0.36940%0.404SS..EExtended strand (participates in β ladder)trans-61.9134169.2-177.8173.5-143.100109.9N88 T91 L93E77-N88 HydrophobicContact CB-CB 4.34Å; E77-N88 PolarHBondContact O-N 2.93Å; E77-T91 PolarHBondContact N-O 3.33Å; E77-T91 VanDerWaalsContact OE2-CB 3.24Å; E77-T91 WeakPolarHBondContact OE2-CB 3.49Å; E77-T91 PolarHBondContact OE2-OG1 2.9Å; E77-L93 HydrophobicContact CB-CD1 3.73Å; E77-L93 HydrophobicContact CB-CG 4.44Å; E77-L93 HydrophobicContact CG-CD1 3.87Å
78Y85.6Confident82.6Confident40 Ų4068 Ų6816%0.15738%0.377CS..EExtended strand (participates in β ladder)trans-138.8151.3178.861.8-100000110.7P45 W58 Y76 V80 T86 H97P45-Y78 HydrophobicContact CB-CE2 3.96Å; P45-Y78 HydrophobicContact CG-CD2 4.31Å; P45-Y78 HydrophobicContact CG-CE2 3.48Å; P45-Y78 VanDerWaalsContact CG-CE2 3.48Å; W58-Y78 HydrophobicContact CH2-CD1 4.49Å; Y76-Y78 WeakPolarHBondContact O-CD1 3.43Å; Y76-Y78 PolarHBondContact O-N 3.04Å; Y78-V80 HydrophobicContact CD2-CG2 3.84Å; Y78-V80 HydrophobicContact CE2-CG2 4.1Å; Y78-T86 CarbonylContact C-O 3.54Å; Y78-T86 WeakPolarHBondContact CA-O 3.17Å; Y78-T86 WeakPolarHBondContact CB-O 3.48Å; Y78-H97 PolarHBondContact OH-CD2 3.49Å; Y78-H97 PolarHBondContact OH-NE2 3.29Å
79E84.2Confident83.3Confident135 Ų13571.6 Ų71.663%0.63137%0.372SS*.EExtended strand (participates in β ladder)trans-124.3131.5171.5-172.7173.3-162.500108.6T86E79-T86 PolarHBondContact N-O 2.84Å; E79-T86 PolarHBondContact O-N 2.83Å; E79-T86 PolarHBondContact O-OG1 3.42Å; E79-T86 VanDerWaalsContact O-OG1 3.12Å
80V80.8Confident83.6Confident47 Ų4774.8 Ų74.829%0.28539%0.39SS..EExtended strand (participates in β ladder)trans-107.8118.6-178.3-170.20000109.8P45 I46 Y78 V85P45-V80 HydrophobicContact CG-CG2 4.14Å; I46-V80 HydrophobicContact CD1-CB 4.18Å; I46-V80 HydrophobicContact CD1-CG1 3.3Å; I46-V80 HydrophobicContact CD1-CG2 4.32Å; Y78-V80 HydrophobicContact CD2-CG2 3.84Å; Y78-V80 HydrophobicContact CE2-CG2 4.1Å; V80-V85 HydrophobicContact CG1-CG2 4.36Å; V80-V85 HydrophobicContact CG2-CG2 4.36Å
81S79.2Confident83.8Confident69 Ų6973.6 Ų73.648%0.48339%0.388SS..EExtended strand (participates in β ladder)trans-116.5107.5173.2-69.70000109.5T83 I84S81-T83 VanDerWaalsContact C-N 3.35Å; S81-T83 PolarHBondContact O-N 2.84Å; S81-I84 PolarHBondContact N-O 3.41Å; S81-I84 PolarHBondContact O-N 3.08Å
82E76.7Confident84Confident194 Ų19477.3 Ų77.391%0.90740%0.403SS*.THydrogen-bonded Turntrans53.8-81.8-175.9-62.8-175.6169.400114.5
83T74.5Confident84.1Confident95 Ų9578.9 Ų78.958%0.58341%0.408SS*.THydrogen-bonded Turntrans-128.3-0.9179.951.80000112.8L51 S81L51-T83 VanDerWaalsContact CD2-O 3.26Å; L51-T83 WeakPolarHBondContact CD2-O 2.88Å; S81-T83 VanDerWaalsContact C-N 3.35Å; S81-T83 PolarHBondContact O-N 2.84Å
84I75.1Confident84.1Confident112 Ų11285.1 Ų85.157%0.57443%0.433SS*.EExtended strand (participates in β ladder)trans-101.6119.8-179.3-56.3175.9000108.2S81 T86S81-I84 PolarHBondContact N-O 3.41Å; S81-I84 PolarHBondContact O-N 3.08Å; I84-T86 HydrophobicContact CG2-CG2 4.24Å
85V81.2Confident84Confident34 Ų3481.7 Ų81.721%0.20642%0.42CS..EExtended strand (participates in β ladder)trans-97117.3171.1-174.20000108.1L51 W58 V80 I87L51-V85 HydrophobicContact CD1-CG2 3.89Å; L51-V85 HydrophobicContact CD2-CG2 3.76Å; W58-V85 HydrophobicContact CH2-CG1 4.46Å; W58-V85 HydrophobicContact CZ3-CG1 4.12Å; W58-V85 HydrophobicContact CZ3-CG2 4.44Å; V80-V85 HydrophobicContact CG1-CG2 4.36Å; V80-V85 HydrophobicContact CG2-CG2 4.36Å; V85-I87 HydrophobicContact CG1-CD1 4.31Å; V85-I87 HydrophobicContact CG1-CG1 3.88Å
86T82.5Confident83.6Confident71 Ų7185.4 Ų85.444%0.43645%0.447SS..EExtended strand (participates in β ladder)trans-99.2131.3170.459.70000108.6Y78 E79 I84Y78-T86 CarbonylContact C-O 3.54Å; Y78-T86 WeakPolarHBondContact CA-O 3.17Å; Y78-T86 WeakPolarHBondContact CB-O 3.48Å; E79-T86 PolarHBondContact N-O 2.84Å; E79-T86 PolarHBondContact O-N 2.83Å; E79-T86 PolarHBondContact O-OG1 3.42Å; E79-T86 VanDerWaalsContact O-OG1 3.12Å; I84-T86 HydrophobicContact CG2-CG2 4.24Å
87I84.6Confident83.5Confident45 Ų4588.4 Ų88.423%0.23146%0.462CS..EExtended strand (participates in β ladder)trans-120.6121.3-174-59.1171.8000108.9M61 A62 Y76 V85 R89M61-I87 HydrophobicContact CB-CD1 3.57Å; A62-I87 HydrophobicContact CB-CD1 4.43Å; Y76-I87 HydrophobicContact CD2-CG2 4.34Å; Y76-I87 HydrophobicContact CG-CG2 4.24Å; V85-I87 HydrophobicContact CG1-CD1 4.31Å; V85-I87 HydrophobicContact CG1-CG1 3.88Å; I87-R89 HydrophobicContact CG2-CG 4.24Å
88N87.2Confident83.5Confident73 Ų7385.9 Ų85.939%0.3946%0.458SS..EExtended strand (participates in β ladder)trans-92.3102.4173-172.77.5000110.4E77 S90 T91E77-N88 HydrophobicContact CB-CB 4.34Å; E77-N88 PolarHBondContact O-N 2.93Å; N88-S90 PolarHBondContact ND2-OG 2.84Å; N88-S90 PolarHBondContact O-N 3.38Å; N88-S90 PolarHBondContact OD1-N 3.47Å; N88-S90 PolarHBondContact OD1-OG 3.4Å; N88-T91 PolarHBondContact ND2-OG1 3.49Å
89R84.4Confident83.7Confident163 Ų16387 Ų8762%0.61546%0.461SS*.EExtended strand (participates in β ladder)trans-75.8-4.7-178.1-65.4-176.9179.91690.6114.5Y76 I87Y76-R89 HydrophobicContact CD1-CB 4.22Å; Y76-R89 HydrophobicContact CD1-CG 4.45Å; Y76-R89 HydrophobicContact CD2-CG 4.17Å; Y76-R89 HydrophobicContact CE1-CB 4.12Å; Y76-R89 HydrophobicContact CE1-CG 4.48Å; Y76-R89 WeakPolarHBondContact CE1-O 3.4Å; Y76-R89 HydrophobicContact CE2-CG 4.21Å; Y76-R89 HydrophobicContact CG-CG 4.29Å; I87-R89 HydrophobicContact CG2-CG 4.24Å
90S84.6Confident83.9Confident99 Ų9981.8 Ų81.869%0.69244%0.439SS*.EExtended strand (participates in β ladder)trans-79.3-22.7177.2640000113.3N88N88-S90 PolarHBondContact ND2-OG 2.84Å; N88-S90 PolarHBondContact O-N 3.38Å; N88-S90 PolarHBondContact OD1-N 3.47Å; N88-S90 PolarHBondContact OD1-OG 3.4Å
91T86Confident84.4Confident47 Ų4780.8 Ų80.829%0.28843%0.43SS..EExtended strand (participates in β ladder)trans-115.8121.7-171.7-310000109.7Y76 E77 N88Y76-T91 WeakPolarHBondContact CA-O 3.48Å; E77-T91 PolarHBondContact N-O 3.33Å; E77-T91 VanDerWaalsContact OE2-CB 3.24Å; E77-T91 WeakPolarHBondContact OE2-CB 3.49Å; E77-T91 PolarHBondContact OE2-OG1 2.9Å; N88-T91 PolarHBondContact ND2-OG1 3.49Å
92E88.3Confident84.8Confident98 Ų9880.5 Ų80.546%0.45842%0.424SS..EExtended strand (participates in β ladder)trans-98.3129.5171.9-63.4-179.4-177.700109.7P64 K74 Y76P64-E92 HydrophobicContact CG-CG 4.47Å; K74-E92 HydrophobicContact CD-CB 4.19Å; K74-E92 WeakPolarHBondContact CD-OE2 3.38Å; K74-E92 IonicContact NZ-OE2 2.62Å; K74-E92 PolarHBondContact NZ-OE2 2.83Å; Y76-E92 HydrophobicContact CE1-CG 4.46Å
93L88.6Confident85.3Confident82 Ų8277.9 Ų77.943%0.42941%0.405SS..EExtended strand (participates in β ladder)trans-121.6158177.3-68169.1000110.5K74 Q75 E77K74-L93 WeakPolarHBondContact CA-O 3.49Å; Q75-L93 PolarHBondContact N-O 3.07Å; Q75-L93 PolarHBondContact O-N 3.21Å; E77-L93 HydrophobicContact CB-CD1 3.73Å; E77-L93 HydrophobicContact CB-CG 4.44Å; E77-L93 HydrophobicContact CG-CD1 3.87Å
94E87.8Confident85.9Confident167 Ų16777.4 Ų77.478%0.7841%0.406SS*.EExtended strand (participates in β ladder)trans-68154.1168-63.2-175.6173.300110.4Q75 S96Q75-E94 PolarHBondContact NE2-O 3.46Å; E94-S96 PolarHBondContact O-N 3.43Å
95C86.3Confident86.4Confident20 Ų2073.7 Ų73.714%0.13539%0.387CS..  trans-64.5119179.7-51.40000111C42 W99C42-C95 WeakPolarHBondContact CA-SG 3.45Å; C42-C95 HydrophobicContact CB-CB 3.7Å; C42-C95 WeakPolarHBondContact CB-SG 3.43Å; C42-C95 WeakPolarHBondContact SG-CB 3.4Å; C42-C95 CovalentContact SG-SG 2.01Å; C42-C95 PolarHBondContact SG-SG 2.87Å; C95-W99 HydrophobicContact CB-CE3 4.24Å; C95-W99 HydrophobicContact CB-CH2 3.73Å; C95-W99 HydrophobicContact CB-CZ2 4.16Å; C95-W99 HydrophobicContact CB-CZ3 3.8Å; C95-W99 WeakPolarHBondContact SG-CH2 3.19Å; C95-W99 WeakPolarHBondContact SG-CZ3 3.42Å
96S82.8Confident86.7Confident82 Ų8272.4 Ų72.457%0.57338%0.379SS*.SBendtrans-91.6-27.7-174.949.30000114.3Q75 E94Q75-S96 VanDerWaalsContact NE2-N 3.19Å; Q75-S96 PolarHBondContact NE2-OG 3.4Å; Q75-S96 VanDerWaalsContact NE2-OG 3.15Å; E94-S96 PolarHBondContact O-N 3.43Å
97H85Confident87.1Confident104 Ų10472.6 Ų72.648%0.48138%0.377SS..SBendtrans-107.322.2-174.7-64.6-86.2000113.8H43 Y78H43-H97 WeakPolarHBondContact CB-O 3.25Å; Y78-H97 PolarHBondContact OH-CD2 3.49Å; Y78-H97 PolarHBondContact OH-NE2 3.29Å
98G87.8Confident87.5Confident27 Ų2773.5 Ų73.528%0.27838%0.38SS..  trans84.1-154-178.800000113.4H43H43-G98 PolarHBondContact N-O 3.47Å
99W89.5Confident87.8Confident62 Ų6270.1 Ų70.124%0.23536%0.362CS..EExtended strand (participates in β ladder)trans-132.2138.2-161.7-51101.4000111.9S72 C95 Y101 V117 C118S72-W99 VanDerWaalsContact O-CZ3 3.3Å; S72-W99 WeakPolarHBondContact O-CZ3 3.49Å; C95-W99 HydrophobicContact CB-CE3 4.24Å; C95-W99 HydrophobicContact CB-CH2 3.73Å; C95-W99 HydrophobicContact CB-CZ2 4.16Å; C95-W99 HydrophobicContact CB-CZ3 3.8Å; C95-W99 WeakPolarHBondContact SG-CH2 3.19Å; C95-W99 WeakPolarHBondContact SG-CZ3 3.42Å; W99-Y101 HydrophobicContact CB-CE1 4.25Å; W99-Y101 HydrophobicContact CB-CE2 3.73Å; W99-Y101 WeakPolarHBondContact CB-OH 3.26Å; W99-V117 HydrophobicContact CD2-CG2 3.32Å; W99-V117 HydrophobicContact CE3-CG2 3.82Å; W99-V117 HydrophobicContact CG-CG2 3.61Å; W99-V117 HydrophobicContact CH2-CG2 4.27Å; W99-V117 HydrophobicContact CZ2-CG2 3.83Å; W99-V117 HydrophobicContact CZ3-CG2 4.23Å; W99-C118 HydrophobicContact CH2-CB 3.95Å; W99-C118 WeakPolarHBondContact CH2-SG 3.35Å; W99-C118 HydrophobicContact CZ2-CB 4.26Å; W99-C118 VanDerWaalsContact CZ3-SG 3.53Å
100T89.1Confident88.2Confident26 Ų2662.4 Ų62.416%0.1633%0.333CS..EExtended strand (participates in β ladder)trans-104.5137.8165.3-56.30000108.9H40 W41 H43 E55H40-T100 VanDerWaalsContact CA-O 3.24Å; H40-T100 WeakPolarHBondContact CA-O 3.3Å; W41-T100 HydrophobicContact CZ2-CG2 3.7Å; W41-T100 PolarHBondContact N-O 3.14Å; W41-T100 VanDerWaalsContact NE1-CB 3.35Å; W41-T100 PolarHBondContact O-N 3.26Å; H43-T100 PolarHBondContact ND1-OG1 3.23Å; E55-T100 WeakPolarHBondContact OE1-CG2 3.08Å
101Y90.5Very high88.6Confident26 Ų2657.7 Ų57.710%0.10230%0.3CS..EExtended strand (participates in β ladder)trans-117.3145.4-175.6-58.9-84.8000111.1P38 H40 W99 R103 T112 V117P38-Y101 HydrophobicContact CG-CD1 4.04Å; P38-Y101 HydrophobicContact CG-CG 4.49Å; H40-Y101 HydrophobicContact CB-CD1 3.57Å; H40-Y101 HydrophobicContact CB-CE1 3.75Å; H40-Y101 HydrophobicContact CB-CG 4.46Å; W99-Y101 HydrophobicContact CB-CE1 4.25Å; W99-Y101 HydrophobicContact CB-CE2 3.73Å; W99-Y101 WeakPolarHBondContact CB-OH 3.26Å; Y101-R103 PolarHBondContact O-N 3.15Å; Y101-T112 HydrophobicContact CD1-CG2 3.59Å; Y101-T112 HydrophobicContact CD2-CG2 3.88Å; Y101-T112 HydrophobicContact CE1-CG2 4.04Å; Y101-T112 HydrophobicContact CE2-CG2 4.3Å; Y101-T112 HydrophobicContact CG-CG2 3.5Å; Y101-T112 VanDerWaalsContact CG-CG2 3.5Å; Y101-V117 HydrophobicContact CE1-CG1 3.79Å
102D88.3Confident88.9Confident64 Ų6456.4 Ų56.434%0.34229%0.292SS..  trans-70.9110.6167.8-170-6.1000110.4P38 S39 W41 S104P38-D102 WeakPolarHBondContact CB-O 3.46Å; S39-D102 PolarHBondContact O-N 2.9Å; W41-D102 HydrophobicContact CH2-CB 3.9Å; W41-D102 HydrophobicContact CZ3-CB 3.99Å; D102-S104 VanDerWaalsContact OD1-CB 3.3Å; D102-S104 WeakPolarHBondContact OD1-CB 3.31Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.29Å
103R87.4Confident89Confident139 Ų13955.2 Ų55.253%0.52529%0.287SS..THydrogen-bonded Turntrans-93.815.3179.9-64.3-170.7-178.8-136.39.4113.8Y101 L105 Y106 D107 E108Y101-R103 PolarHBondContact O-N 3.15Å; R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 3.15Å; R103-Y106 CarbonylContact C-O 3.32Å; R103-Y106 WeakPolarHBondContact CA-O 3.28Å; R103-Y106 WeakPolarHBondContact CB-O 3.22Å; R103-D107 PolarHBondContact NH1-O 2.84Å; R103-E108 IonicContact NH1-OE1 3.1Å
104S87.3Confident89.2Confident85 Ų8553.8 Ų53.859%0.59428%0.278SS*.THydrogen-bonded Turntrans-63.1-36.7-179.673.30000113.2D102 R235D102-S104 VanDerWaalsContact OD1-CB 3.3Å; D102-S104 WeakPolarHBondContact OD1-CB 3.31Å; D102-S104 PolarHBondContact OD1-N 3.49Å; D102-S104 PolarHBondContact OD1-OG 3.29Å; S104-R235 PolarHBondContact O-NH1 3.38Å; S104-R235 VanDerWaalsContact O-NH1 3.17Å
105L85.6Confident89.3Confident33 Ų3346.8 Ų46.817%0.17325%0.251CS..THydrogen-bonded Turntrans-107.1-38.1-175.8-166.367.2000112.5R103 R235 N354 D355 Y356R103-L105 VanDerWaalsContact C-N 3.3Å; R103-L105 PolarHBondContact O-N 3.15Å; L105-R235 WeakPolarHBondContact O-CD 3.47Å; L105-N354 HydrophobicContact CD1-CB 4.3Å; L105-N354 VanDerWaalsContact CD1-CG 3.48Å; L105-N354 WeakPolarHBondContact CD1-OD1 3.45Å; L105-D355 HydrophobicContact CD2-CB 3.92Å; L105-D355 WeakPolarHBondContact CD2-OD2 3.5Å; L105-Y356 HydrophobicContact CD1-CD2 3.87Å; L105-Y356 HydrophobicContact CD1-CE2 3.76Å; L105-Y356 HydrophobicContact CG-CD2 4.35Å; L105-Y356 HydrophobicContact CG-CE2 3.85Å; L105-Y356 WeakPolarHBondContact O-CE2 3.43Å; L105-Y356 PolarHBondContact O-OH 3.38Å
106Y88.1Confident89.5Confident8 Ų846.2 Ų46.23%0.03125%0.246CC..  trans-119.2129.7-178.3-66.5-79.4000110F33 A36 P38 R103 T109 D355 Y356F33-Y106 HydrophobicContact CD1-CE1 4.48Å; A36-Y106 HydrophobicContact CB-CD1 4.28Å; A36-Y106 HydrophobicContact CB-CD2 4.39Å; A36-Y106 HydrophobicContact CB-CE1 3.61Å; A36-Y106 HydrophobicContact CB-CE2 3.72Å; A36-Y106 WeakPolarHBondContact CB-OH 3.23Å; P38-Y106 HydrophobicContact CB-CD2 4.45Å; R103-Y106 CarbonylContact C-O 3.32Å; R103-Y106 WeakPolarHBondContact CA-O 3.28Å; R103-Y106 WeakPolarHBondContact CB-O 3.22Å; Y106-T109 HydrophobicContact CD1-CG2 3.62Å; Y106-T109 HydrophobicContact CE1-CG2 4.39Å; Y106-T109 HydrophobicContact CG-CG2 3.71Å; Y106-D355 PolarHBondContact OH-OD2 2.97Å; Y106-Y356 WeakPolarHBondContact CD1-OH 2.95Å; Y106-Y356 HydrophobicContact CE1-CE1 4.12Å; Y106-Y356 AromaticContact CE1-CZ 3.84Å; Y106-Y356 VanDerWaalsContact CE1-OH 3.3Å; Y106-Y356 WeakPolarHBondContact CE1-OH 3.25Å
107D90.1Very high89.8Confident74 Ų7442.5 Ų42.540%0.39622%0.22SC..SBendtrans-75.5-52.7173.9-65.1-11.9000109.3R103 R235R103-D107 PolarHBondContact NH1-O 2.84Å; D107-R235 HydrophobicContact CB-CB 4.05Å
108E92.5Very high89.9Confident65 Ų6538.8 Ų38.830%0.30421%0.205SC..BIsolated β-bridgetrans-149.7132177.3-65.5-175.8168.300110.7R103 N236 W237R103-E108 IonicContact NH1-OE1 3.1Å; E108-N236 PolarHBondContact OE2-ND2 3.13Å; E108-W237 PolarHBondContact O-N 2.87Å
109T93.7Very high89.9Confident1 Ų140.6 Ų40.61%0.00622%0.224CC..  trans-119.4167.1171.6740000110.8A36 Y106 V111 T112 E113A36-T109 HydrophobicContact CB-CG2 4.29Å; A36-T109 WeakPolarHBondContact O-CB 3.32Å; A36-T109 WeakPolarHBondContact O-CG2 3.32Å; A36-T109 PolarHBondContact O-OG1 3.45Å; Y106-T109 HydrophobicContact CD1-CG2 3.62Å; Y106-T109 HydrophobicContact CE1-CG2 4.39Å; Y106-T109 HydrophobicContact CG-CG2 3.71Å; T109-V111 PolarHBondContact O-N 3.27Å; T109-V111 PolarHBondContact OG1-N 3.02Å; T109-T112 PolarHBondContact N-OG1 3.46Å; T109-T112 PolarHBondContact O-N 2.94Å; T109-T112 PolarHBondContact O-OG1 3.49Å; T109-T112 PolarHBondContact OG1-N 2.64Å; T109-E113 WeakPolarHBondContact O-CB 3.24Å; T109-E113 PolarHBondContact O-N 3.01Å
110L93.1Very high89.9Confident1 Ų141.4 Ų41.41%0.00523%0.233CC..Hα-helixtrans-55.1-37.9171.9-179.273.2000110.8V34 V35 M114 L116 F178 W237V34-L110 HydrophobicContact CG1-CB 4.22Å; V34-L110 VanDerWaalsContact O-CB 3.29Å; V34-L110 WeakPolarHBondContact O-CB 3.35Å; V34-L110 PolarHBondContact O-N 2.76Å; V35-L110 HydrophobicContact CG1-CD2 4.01Å; L110-M114 HydrophobicContact CD1-CG 4.09Å; L110-M114 WeakPolarHBondContact O-CB 3.18Å; L110-M114 PolarHBondContact O-N 3.27Å; L110-M114 VanDerWaalsContact O-N 3.1Å; L110-L116 HydrophobicContact CD2-CD1 4.23Å; L110-L116 HydrophobicContact CG-CD1 4.01Å; L110-F178 HydrophobicContact CD1-CD1 4.13Å; L110-F178 HydrophobicContact CD1-CD2 4.26Å; L110-F178 HydrophobicContact CD1-CE1 4.43Å; L110-F178 HydrophobicContact CD1-CG 4.04Å; L110-F178 HydrophobicContact CD2-CD1 3.57Å; L110-F178 HydrophobicContact CD2-CE1 3.41Å; L110-F178 VanDerWaalsContact CD2-CE1 3.41Å; L110-F178 HydrophobicContact CD2-CG 4.32Å; L110-F178 HydrophobicContact CD2-CZ 4.02Å; L110-F178 HydrophobicContact CG-CE1 4.49Å; L110-W237 HydrophobicContact CD1-CH2 4.06Å; L110-W237 HydrophobicContact CD1-CZ2 4.11Å; L110-W237 HydrophobicContact CD1-CZ3 4.48Å
111V92.1Very high89.9Confident1 Ų142.8 Ų42.81%0.00624%0.239CC..Hα-helixtrans-66.2-46.7179.41750000111T109 G115 L116 V117 A124T109-V111 PolarHBondContact O-N 3.27Å; T109-V111 PolarHBondContact OG1-N 3.02Å; V111-G115 WeakPolarHBondContact O-CA 3.49Å; V111-G115 PolarHBondContact O-N 3.4Å; V111-L116 HydrophobicContact CG1-CB 4.37Å; V111-L116 WeakPolarHBondContact CG1-O 3.44Å; V111-L116 HydrophobicContact CG2-CB 4.47Å; V111-L116 PolarHBondContact O-N 3.33Å; V111-V117 HydrophobicContact CG1-CG1 3.59Å; V111-A124 HydrophobicContact CG2-CB 4.18Å
112T92.3Very high89.8Confident19 Ų1945.5 Ų45.512%0.11725%0.251CS..Hα-helixtrans-69.9-37.7-179.262.80000112.9P38 Y101 T109P38-T112 HydrophobicContact CG-CG2 3.36Å; Y101-T112 HydrophobicContact CD1-CG2 3.59Å; Y101-T112 HydrophobicContact CD2-CG2 3.88Å; Y101-T112 HydrophobicContact CE1-CG2 4.04Å; Y101-T112 HydrophobicContact CE2-CG2 4.3Å; Y101-T112 HydrophobicContact CG-CG2 3.5Å; Y101-T112 VanDerWaalsContact CG-CG2 3.5Å; T109-T112 PolarHBondContact N-OG1 3.46Å; T109-T112 PolarHBondContact O-N 2.94Å; T109-T112 PolarHBondContact O-OG1 3.49Å; T109-T112 PolarHBondContact OG1-N 2.64Å
113E92Very high90Very high74 Ų7444.5 Ų44.535%0.34624%0.243SC..Hα-helixtrans-72.7-39.7-177.7-168.2-177149.500112T109 W237 R238T109-E113 WeakPolarHBondContact O-CB 3.24Å; T109-E113 PolarHBondContact O-N 3.01Å; E113-W237 VanDerWaalsContact OE2-CE2 3.22Å; E113-W237 WeakPolarHBondContact OE2-CZ2 3.44Å; E113-W237 PolarHBondContact OE2-NE1 3.4Å; E113-R238 IonicContact OE1-CZ 3.33Å; E113-R238 VanDerWaalsContact OE1-CZ 3.29Å; E113-R238 IonicContact OE1-NE 2.64Å; E113-R238 PolarHBondContact OE1-NE 3.4Å; E113-R238 VanDerWaalsContact OE1-NE 3.14Å; E113-R238 IonicContact OE1-NH2 2.96Å; E113-R238 PolarHBondContact OE1-NH2 3.31Å; E113-R238 IonicContact OE2-CZ 3.29Å; E113-R238 IonicContact OE2-NE 3.46Å; E113-R238 PolarHBondContact OE2-NE 3.02Å; E113-R238 IonicContact OE2-NH2 3.25Å
114M91.6Very high90.2Very high52 Ų5238.4 Ų38.426%0.25622%0.222SC..Hα-helixtrans-98.50.5-174.9-59.5-67.9164.600113.7L110 L116 T173L110-M114 HydrophobicContact CD1-CG 4.09Å; L110-M114 WeakPolarHBondContact O-CB 3.18Å; L110-M114 PolarHBondContact O-N 3.27Å; L110-M114 VanDerWaalsContact O-N 3.1Å; M114-L116 HydrophobicContact CB-CD1 3.98Å; M114-L116 HydrophobicContact CB-CD2 4.16Å; M114-L116 HydrophobicContact CB-CG 3.75Å; M114-T173 VanDerWaalsContact CE-C 3.48Å; M114-T173 WeakPolarHBondContact CE-O 3.4Å; M114-T173 VanDerWaalsContact SD-O 3.35Å
115G90.4Very high90.3Very high19 Ų1935 Ų3520%0.19620%0.198CC..THydrogen-bonded Turntrans67.334.5179.800000114.3V111 V117V111-G115 WeakPolarHBondContact O-CA 3.49Å; V111-G115 PolarHBondContact O-N 3.4Å; G115-V117 VanDerWaalsContact C-N 3.26Å; G115-V117 PolarHBondContact O-N 2.93Å
116L91Very high90.6Very high8 Ų836.2 Ų36.24%0.04221%0.205CC..  trans-8658-171.7-54.9171000112.4L110 V111 M114 L120 D121 W123 V175L110-L116 HydrophobicContact CD2-CD1 4.23Å; L110-L116 HydrophobicContact CG-CD1 4.01Å; V111-L116 HydrophobicContact CG1-CB 4.37Å; V111-L116 WeakPolarHBondContact CG1-O 3.44Å; V111-L116 HydrophobicContact CG2-CB 4.47Å; V111-L116 PolarHBondContact O-N 3.33Å; M114-L116 HydrophobicContact CB-CD1 3.98Å; M114-L116 HydrophobicContact CB-CD2 4.16Å; M114-L116 HydrophobicContact CB-CG 3.75Å; L116-L120 HydrophobicContact CD2-CB 4.4Å; L116-D121 WeakPolarHBondContact O-CA 3.3Å; L116-W123 HydrophobicContact CB-CB 4.5Å; L116-W123 HydrophobicContact CD1-CB 4.06Å; L116-W123 HydrophobicContact CD2-CB 4.12Å; L116-W123 HydrophobicContact CD2-CG 4.09Å; L116-W123 HydrophobicContact CG-CB 4.45Å; L116-V175 HydrophobicContact CD1-CB 4.27Å; L116-V175 HydrophobicContact CD1-CG2 3.64Å; L116-V175 HydrophobicContact CD2-CB 4.3Å; L116-V175 HydrophobicContact CD2-CG1 4.4Å; L116-V175 HydrophobicContact CD2-CG2 4.16Å
117V88.8Confident90.8Very high5 Ų535.9 Ų35.93%0.0320%0.203CC..  trans-121.6166.6179.6-65.80000111.5W99 Y101 V111 G115 G119 L120W99-V117 HydrophobicContact CD2-CG2 3.32Å; W99-V117 HydrophobicContact CE3-CG2 3.82Å; W99-V117 HydrophobicContact CG-CG2 3.61Å; W99-V117 HydrophobicContact CH2-CG2 4.27Å; W99-V117 HydrophobicContact CZ2-CG2 3.83Å; W99-V117 HydrophobicContact CZ3-CG2 4.23Å; Y101-V117 HydrophobicContact CE1-CG1 3.79Å; V111-V117 HydrophobicContact CG1-CG1 3.59Å; G115-V117 VanDerWaalsContact C-N 3.26Å; G115-V117 PolarHBondContact O-N 2.93Å; V117-G119 PolarHBondContact O-N 2.94Å; V117-G119 VanDerWaalsContact O-N 3.11Å; V117-L120 PolarHBondContact O-N 3.03Å
118C87.4Confident90.9Very high25 Ų2533.3 Ų33.317%0.16919%0.189CC..G310 helixtrans54.4-113.9177.7-53.40000111.5C73 W99 L120 D121C73-C118 WeakPolarHBondContact CA-SG 3.45Å; C73-C118 HydrophobicContact CB-CB 3.8Å; C73-C118 WeakPolarHBondContact CB-SG 3.22Å; C73-C118 WeakPolarHBondContact SG-CB 3.16Å; C73-C118 CovalentContact SG-SG 2.02Å; C73-C118 PolarHBondContact SG-SG 3.42Å; W99-C118 HydrophobicContact CH2-CB 3.95Å; W99-C118 WeakPolarHBondContact CH2-SG 3.35Å; W99-C118 HydrophobicContact CZ2-CB 4.26Å; W99-C118 VanDerWaalsContact CZ3-SG 3.53Å; C118-L120 PolarHBondContact O-N 3.45Å; C118-D121 WeakPolarHBondContact O-CB 3.21Å; C118-D121 PolarHBondContact O-N 3.49Å; C118-D121 VanDerWaalsContact O-N 3.11Å
119G86.6Confident90.9Very high65 Ų6531.7 Ų31.767%0.6718%0.182SC*.G310 helixtrans-61.1-13.217900000115.4V117 F122V117-G119 PolarHBondContact O-N 2.94Å; V117-G119 VanDerWaalsContact O-N 3.11Å; G119-F122 WeakPolarHBondContact O-CE1 3.33Å
120L89.9Confident90.9Very high80 Ų8033.8 Ų33.842%0.41919%0.193SC..G310 helixtrans-1159179.8-62.9177.2000113.6L116 V117 C118 F122 W123L116-L120 HydrophobicContact CD2-CB 4.4Å; V117-L120 PolarHBondContact O-N 3.03Å; C118-L120 PolarHBondContact O-N 3.45Å; L120-F122 HydrophobicContact CD2-CE1 4.28Å; L120-F122 PolarHBondContact O-N 3.47Å; L120-W123 PolarHBondContact O-N 3.46Å
121D88.4Confident91Very high55 Ų5534 Ų3429%0.29419%0.194SC..THydrogen-bonded Turntrans-62.1-29.3-178.866.6-13000113.6L116 C118 W123 A124 P125 Y465L116-D121 WeakPolarHBondContact O-CA 3.3Å; C118-D121 WeakPolarHBondContact O-CB 3.21Å; C118-D121 PolarHBondContact O-N 3.49Å; C118-D121 VanDerWaalsContact O-N 3.11Å; D121-W123 PolarHBondContact O-N 2.8Å; D121-W123 VanDerWaalsContact O-N 3.08Å; D121-A124 PolarHBondContact O-N 2.96Å; D121-P125 VanDerWaalsContact O-CD 3.31Å; D121-P125 WeakPolarHBondContact O-CD 3.06Å; D121-Y465 HydrophobicContact CB-CE2 4.46Å; D121-Y465 PolarHBondContact OD1-OH 3.27Å; D121-Y465 VanDerWaalsContact OD2-CE2 3.26Å; D121-Y465 WeakPolarHBondContact OD2-CE2 3.13Å; D121-Y465 PolarHBondContact OD2-OH 3.02Å
122F90.1Very high91Very high82 Ų8234.4 Ų34.436%0.3620%0.196SC..THydrogen-bonded Turntrans-61.1-19.4-179.972.7-92.9000113.5G119 L120 A124 P125 L126G119-F122 WeakPolarHBondContact O-CE1 3.33Å; L120-F122 HydrophobicContact CD2-CE1 4.28Å; L120-F122 PolarHBondContact O-N 3.47Å; F122-A124 VanDerWaalsContact C-N 3.3Å; F122-A124 PolarHBondContact O-N 3.29Å; F122-P125 VanDerWaalsContact O-CD 3.27Å; F122-P125 WeakPolarHBondContact O-CD 3.11Å; F122-P125 VanDerWaalsContact O-CG 3.31Å; F122-P125 WeakPolarHBondContact O-CG 3.23Å; F122-L126 HydrophobicContact CD2-CD2 4.16Å; F122-L126 HydrophobicContact CE2-CD2 4.15Å; F122-L126 WeakPolarHBondContact O-CB 3.43Å; F122-L126 PolarHBondContact O-N 3.25Å
123W92.2Very high91Very high44 Ų4434.9 Ų34.917%0.16720%0.2CC..Hα-helixtrans-63.9-34.2179-83.1104.9000113L116 L120 D121 L126 S127 V175 K176L116-W123 HydrophobicContact CB-CB 4.5Å; L116-W123 HydrophobicContact CD1-CB 4.06Å; L116-W123 HydrophobicContact CD2-CB 4.12Å; L116-W123 HydrophobicContact CD2-CG 4.09Å; L116-W123 HydrophobicContact CG-CB 4.45Å; L120-W123 PolarHBondContact O-N 3.46Å; D121-W123 PolarHBondContact O-N 2.8Å; D121-W123 VanDerWaalsContact O-N 3.08Å; W123-L126 HydrophobicContact CE3-CD2 3.98Å; W123-L126 HydrophobicContact CZ3-CD2 3.97Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 2.93Å; W123-S127 PolarHBondContact O-OG 2.85Å; W123-V175 HydrophobicContact CB-CG2 4.02Å; W123-V175 HydrophobicContact CD2-CG1 4.02Å; W123-V175 HydrophobicContact CD2-CG2 3.76Å; W123-V175 HydrophobicContact CE3-CG1 4.19Å; W123-V175 HydrophobicContact CE3-CG2 3.62Å; W123-V175 HydrophobicContact CG-CG2 3.95Å; W123-V175 HydrophobicContact CH2-CG1 4.47Å; W123-V175 HydrophobicContact CZ2-CG1 4.3Å; W123-V175 HydrophobicContact CZ3-CG1 4.41Å; W123-V175 HydrophobicContact CZ3-CG2 4.38Å; W123-K176 HydrophobicContact CH2-CG 3.84Å; W123-K176 HydrophobicContact CZ2-CG 4.42Å; W123-K176 HydrophobicContact CZ3-CG 4.44Å
124A90.2Very high91.1Very high11 Ų1131.3 Ų31.39%0.09118%0.183CC..Hα-helixtrans-61.6-59.1177.600000111.7V35 V111 D121 F122 L126 S127 M128V35-A124 HydrophobicContact CB-CB 4.12Å; V35-A124 HydrophobicContact CG2-CB 4.44Å; V111-A124 HydrophobicContact CG2-CB 4.18Å; D121-A124 PolarHBondContact O-N 2.96Å; F122-A124 VanDerWaalsContact C-N 3.3Å; F122-A124 PolarHBondContact O-N 3.29Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 3.41Å; A124-S127 PolarHBondContact O-N 3.4Å; A124-S127 PolarHBondContact O-OG 2.7Å; A124-M128 PolarHBondContact O-N 3.03Å
125P89.9Confident91.1Very high14 Ų1429.2 Ų29.29%0.09117%0.174CC..Hα-helixtrans-64.7-36.2176.725.3-33.7000112.3D121 F122 S127 M128 I129 P461 Y465D121-P125 VanDerWaalsContact O-CD 3.31Å; D121-P125 WeakPolarHBondContact O-CD 3.06Å; F122-P125 VanDerWaalsContact O-CD 3.27Å; F122-P125 WeakPolarHBondContact O-CD 3.11Å; F122-P125 VanDerWaalsContact O-CG 3.31Å; F122-P125 WeakPolarHBondContact O-CG 3.23Å; P125-S127 VanDerWaalsContact C-N 3.29Å; P125-S127 PolarHBondContact O-N 3.5Å; P125-M128 WeakPolarHBondContact O-CB 3.36Å; P125-M128 PolarHBondContact O-N 3.32Å; P125-M128 VanDerWaalsContact O-N 3.09Å; P125-I129 VanDerWaalsContact O-CG1 3.3Å; P125-I129 WeakPolarHBondContact O-CG1 3.2Å; P125-I129 PolarHBondContact O-N 3.22Å; P125-P461 HydrophobicContact CB-CB 4.27Å; P125-Y465 HydrophobicContact CB-CG 4.49Å; P125-Y465 HydrophobicContact CG-CD1 4.45Å; P125-Y465 HydrophobicContact CG-CD2 3.92Å; P125-Y465 HydrophobicContact CG-CG 3.86Å
126L92.3Very high91.1Very high58 Ų5829.5 Ų29.530%0.30417%0.172SC..Hα-helixtrans-58.5-41.7176.7-179.561.2000111.9F122 W123 A124 M128 I129 I130F122-L126 HydrophobicContact CD2-CD2 4.16Å; F122-L126 HydrophobicContact CE2-CD2 4.15Å; F122-L126 WeakPolarHBondContact O-CB 3.43Å; F122-L126 PolarHBondContact O-N 3.25Å; W123-L126 HydrophobicContact CE3-CD2 3.98Å; W123-L126 HydrophobicContact CZ3-CD2 3.97Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-L126 PolarHBondContact O-N 3.41Å; L126-M128 VanDerWaalsContact C-N 3.3Å; L126-M128 PolarHBondContact O-N 3.01Å; L126-I129 PolarHBondContact O-N 3.34Å; L126-I130 HydrophobicContact CD1-CD1 3.87Å; L126-I130 HydrophobicContact CD1-CG1 4.25Å; L126-I130 HydrophobicContact CG-CD1 3.83Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 3.32Å
127S93Very high91.2Very high0 Ų032.3 Ų32.30%019%0.189CC..Hα-helixtrans-64.2-34.417776.10000112.8Q31 W123 A124 P125 F131Q31-S127 PolarHBondContact NE2-OG 2.87Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 2.93Å; W123-S127 PolarHBondContact O-OG 2.85Å; A124-S127 PolarHBondContact O-N 3.4Å; A124-S127 PolarHBondContact O-OG 2.7Å; P125-S127 VanDerWaalsContact C-N 3.29Å; P125-S127 PolarHBondContact O-N 3.5Å; S127-F131 WeakPolarHBondContact O-CB 3.4Å; S127-F131 PolarHBondContact O-N 3.16Å
128M91.6Very high91.4Very high21 Ų2132.1 Ų32.110%0.10319%0.188CC..Hα-helixtrans-70.1-42.4175.4-61.6-176.977.800111.7Q31 V32 V35 A124 P125 L126 I130 F131 N132 Y346 P461Q31-M128 HydrophobicContact CG-CG 3.8Å; V32-M128 HydrophobicContact CG2-CE 4.45Å; V35-M128 HydrophobicContact CG2-CG 3.95Å; V35-M128 HydrophobicContact CG2-SD 3.86Å; A124-M128 PolarHBondContact O-N 3.03Å; P125-M128 WeakPolarHBondContact O-CB 3.36Å; P125-M128 PolarHBondContact O-N 3.32Å; P125-M128 VanDerWaalsContact O-N 3.09Å; L126-M128 VanDerWaalsContact C-N 3.3Å; L126-M128 PolarHBondContact O-N 3.01Å; M128-I130 VanDerWaalsContact C-N 3.33Å; M128-F131 PolarHBondContact O-N 3.15Å; M128-N132 WeakPolarHBondContact O-CB 3.23Å; M128-N132 PolarHBondContact O-N 3.38Å; M128-Y346 HydrophobicContact CE-CD1 3.45Å; M128-Y346 VanDerWaalsContact CE-CD1 3.45Å; M128-Y346 HydrophobicContact CE-CE1 3.39Å; M128-Y346 HydrophobicContact CE-CG 4.08Å; M128-P461 HydrophobicContact CB-CB 4Å; M128-P461 HydrophobicContact CB-CG 3.81Å; M128-P461 HydrophobicContact SD-CB 4.3Å; M128-P461 HydrophobicContact SD-CG 4.49Å
129I92.8Very high91.5Very high30 Ų3032.4 Ų32.415%0.15419%0.19CC..Hα-helixtrans-61.2-46175.8-62.9162.8000109.8P125 L126 N132 S133 M458 P461 Y462P125-I129 VanDerWaalsContact O-CG1 3.3Å; P125-I129 WeakPolarHBondContact O-CG1 3.2Å; P125-I129 PolarHBondContact O-N 3.22Å; L126-I129 PolarHBondContact O-N 3.34Å; I129-N132 PolarHBondContact O-N 3.37Å; I129-S133 WeakPolarHBondContact O-CB 3.37Å; I129-S133 PolarHBondContact O-N 3.16Å; I129-M458 WeakPolarHBondContact CG1-O 3.46Å; I129-M458 HydrophobicContact CG2-CG 4.17Å; I129-P461 HydrophobicContact CG1-CB 4.31Å; I129-Y462 HydrophobicContact CD1-CD2 4.31Å; I129-Y462 HydrophobicContact CD1-CG 4.44Å
130I94.3Very high91.7Very high46 Ų4634.3 Ų34.324%0.23619%0.185CC..Hα-helixtrans-64.3-43.4179.1-72.5171000110.6L126 M128 N132 S133 G134 T179 F183L126-I130 HydrophobicContact CD1-CD1 3.87Å; L126-I130 HydrophobicContact CD1-CG1 4.25Å; L126-I130 HydrophobicContact CG-CD1 3.83Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 3.32Å; M128-I130 VanDerWaalsContact C-N 3.33Å; I130-N132 PolarHBondContact O-N 2.86Å; I130-S133 WeakPolarHBondContact CA-OG 3.46Å; I130-S133 PolarHBondContact O-N 3.25Å; I130-S133 PolarHBondContact O-OG 3.04Å; I130-G134 PolarHBondContact O-N 3.24Å; I130-G134 VanDerWaalsContact O-N 3.08Å; I130-T179 HydrophobicContact CB-CG2 3.97Å; I130-T179 HydrophobicContact CD1-CG2 3.33Å; I130-T179 HydrophobicContact CG1-CG2 4.23Å; I130-T179 HydrophobicContact CG2-CG2 3.84Å; I130-F183 HydrophobicContact CG2-CB 3.57Å; I130-F183 HydrophobicContact CG2-CD2 3.97Å; I130-F183 HydrophobicContact CG2-CG 4.2Å; I130-F183 WeakPolarHBondContact O-CD2 3.5Å
131F93.8Very high91.8Very high4 Ų434.3 Ų34.32%0.01819%0.185CC..Hα-helixtrans-56.6-51.4172.2178.4-89000111.9I27 S127 M128 S133 G134 S135 R182 A185 F189I27-F131 HydrophobicContact CG2-CE2 4.4Å; I27-F131 HydrophobicContact CG2-CZ 4.45Å; S127-F131 WeakPolarHBondContact O-CB 3.4Å; S127-F131 PolarHBondContact O-N 3.16Å; M128-F131 PolarHBondContact O-N 3.15Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.45Å; F131-G134 WeakPolarHBondContact O-CA 3.24Å; F131-G134 PolarHBondContact O-N 3.22Å; F131-G134 VanDerWaalsContact O-N 3.08Å; F131-S135 PolarHBondContact O-N 2.97Å; F131-S135 VanDerWaalsContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.06Å; F131-R182 HydrophobicContact CB-CB 4.48Å; F131-R182 HydrophobicContact CD2-CB 4.25Å; F131-R182 WeakPolarHBondContact CD2-O 3.36Å; F131-A185 HydrophobicContact CE2-CB 4.21Å; F131-F189 HydrophobicContact CE1-CB 4.3Å; F131-F189 AromaticContact CE1-CD1 3.71Å; F131-F189 HydrophobicContact CE1-CD1 3.71Å; F131-F189 HydrophobicContact CE1-CE1 4.4Å; F131-F189 HydrophobicContact CE1-CG 4.22Å; F131-F189 HydrophobicContact CZ-CB 3.92Å; F131-F189 HydrophobicContact CZ-CD1 4.17Å; F131-F189 HydrophobicContact CZ-CG 4.21Å
132N91.5Very high92Very high11 Ų1132 Ų326%0.05917%0.172CC..Hα-helixtrans-65.3-32.1-179.7-74-16.1000112.7M128 I129 I130 G134 S135 V136 Y346 V457 M458M128-N132 WeakPolarHBondContact O-CB 3.23Å; M128-N132 PolarHBondContact O-N 3.38Å; I129-N132 PolarHBondContact O-N 3.37Å; I130-N132 PolarHBondContact O-N 2.86Å; N132-G134 VanDerWaalsContact C-N 3.31Å; N132-S135 VanDerWaalsContact O-CB 3.29Å; N132-S135 WeakPolarHBondContact O-CB 3.44Å; N132-S135 PolarHBondContact O-N 3.31Å; N132-S135 VanDerWaalsContact O-N 3.15Å; N132-V136 PolarHBondContact O-N 3.35Å; N132-Y346 PolarHBondContact ND2-OH 2.7Å; N132-V457 PolarHBondContact ND2-O 3.44Å; N132-M458 HydrophobicContact CB-CB 4.1Å; N132-M458 HydrophobicContact CB-CG 4.12Å
133S92.9Very high91.8Very high28 Ų2829.6 Ų29.620%0.19617%0.17CC..Hα-helixtrans-64.7-39173.376.40000111.4I129 I130 F131 S135 V136 V137 F183 M458I129-S133 WeakPolarHBondContact O-CB 3.37Å; I129-S133 PolarHBondContact O-N 3.16Å; I130-S133 WeakPolarHBondContact CA-OG 3.46Å; I130-S133 PolarHBondContact O-N 3.25Å; I130-S133 PolarHBondContact O-OG 3.04Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.45Å; S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 3Å; S133-V136 PolarHBondContact O-N 3.33Å; S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 3.15Å; S133-F183 WeakPolarHBondContact OG-CD2 3.49Å; S133-F183 WeakPolarHBondContact OG-CE2 3.14Å; S133-M458 VanDerWaalsContact CA-SD 3.57Å; S133-M458 WeakPolarHBondContact CB-SD 3.48Å
134G94.4Very high91.6Very high0 Ų032.4 Ų32.40%019%0.185CC..Hα-helixtrans-60.6-38.9170.800000112.1I130 F131 N132 V136 V137 G138 F183 F187I130-G134 PolarHBondContact O-N 3.24Å; I130-G134 VanDerWaalsContact O-N 3.08Å; F131-G134 WeakPolarHBondContact O-CA 3.24Å; F131-G134 PolarHBondContact O-N 3.22Å; F131-G134 VanDerWaalsContact O-N 3.08Å; N132-G134 VanDerWaalsContact C-N 3.31Å; G134-V136 PolarHBondContact O-N 3.02Å; G134-V137 PolarHBondContact O-N 3.28Å; G134-G138 PolarHBondContact O-N 3.14Å; G134-F183 WeakPolarHBondContact CA-O 3.15Å; G134-F187 WeakPolarHBondContact O-CA 3.49Å; G134-F187 WeakPolarHBondContact O-CD1 3.44Å
135S91.7Very high91.7Very high8 Ų833.3 Ų33.36%0.05619%0.188CC..Hα-helixtrans-61.2-39.4176-62.50000114.1F131 N132 S133 S139 G186 F189F131-S135 PolarHBondContact O-N 2.97Å; F131-S135 VanDerWaalsContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.06Å; N132-S135 VanDerWaalsContact O-CB 3.29Å; N132-S135 WeakPolarHBondContact O-CB 3.44Å; N132-S135 PolarHBondContact O-N 3.31Å; N132-S135 VanDerWaalsContact O-N 3.15Å; S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 3Å; S135-S139 WeakPolarHBondContact O-CB 3.35Å; S135-S139 PolarHBondContact O-N 3.21Å; S135-S139 PolarHBondContact O-OG 3.16Å; S135-G186 WeakPolarHBondContact CA-O 3.41Å; S135-G186 PolarHBondContact N-O 3.19Å; S135-G186 PolarHBondContact OG-O 3.31Å; S135-F189 VanDerWaalsContact CA-O 3.25Å; S135-F189 WeakPolarHBondContact CA-O 2.85Å; S135-F189 WeakPolarHBondContact CB-O 3.45Å; S135-F189 PolarHBondContact OG-O 3.29Å
136V90.9Very high91.8Very high24 Ų2432.8 Ų32.815%0.14519%0.185CC..Hα-helixtrans-64.1-49.9174.9177.30000110.6N132 S133 G134 S139 L140 M454N132-V136 PolarHBondContact O-N 3.35Å; S133-V136 PolarHBondContact O-N 3.33Å; G134-V136 PolarHBondContact O-N 3.02Å; V136-S139 PolarHBondContact O-N 3.21Å; V136-L140 PolarHBondContact O-N 3.38Å; V136-M454 HydrophobicContact CG2-CB 3.99Å
137V92.8Very high91.5Very high68 Ų6834 Ų3441%0.41219%0.192SC..Hα-helixtrans-62.6-45.6-180176.60000111S133 G134 S139 L140 L141 F187S133-V137 WeakPolarHBondContact O-CG2 3.27Å; S133-V137 PolarHBondContact O-N 3.15Å; G134-V137 PolarHBondContact O-N 3.28Å; V137-S139 PolarHBondContact O-N 2.92Å; V137-L140 PolarHBondContact O-N 3.14Å; V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 3.33Å; V137-F187 HydrophobicContact CB-CE1 4.13Å; V137-F187 HydrophobicContact CB-CZ 4.25Å; V137-F187 HydrophobicContact CG1-CE1 4.11Å; V137-F187 HydrophobicContact CG1-CE2 4.18Å; V137-F187 HydrophobicContact CG1-CZ 3.71Å
138G92.5Very high91.3Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-64.8-38.7179.800000113.4G134 L140 L141 F142 F187G134-G138 PolarHBondContact O-N 3.14Å; G138-L140 VanDerWaalsContact C-N 3.29Å; G138-L140 PolarHBondContact O-N 2.81Å; G138-L141 PolarHBondContact O-N 2.83Å; G138-F142 WeakPolarHBondContact O-CB 3.42Å; G138-F142 WeakPolarHBondContact O-CD2 3.49Å; G138-F142 PolarHBondContact O-N 3.17Å; G138-F187 WeakPolarHBondContact CA-O 3.27Å
139S90.3Very high91.3Very high32 Ų3246 Ų4622%0.22424%0.237CC..Hα-helixtrans-60.6-40.4177.5-62.70000111.9S135 V136 V137 G143S135-S139 WeakPolarHBondContact O-CB 3.35Å; S135-S139 PolarHBondContact O-N 3.21Å; S135-S139 PolarHBondContact O-OG 3.16Å; V136-S139 PolarHBondContact O-N 3.21Å; V137-S139 PolarHBondContact O-N 2.92Å; S139-G143 PolarHBondContact O-N 2.84Å
140L89.4Confident91.2Very high105 Ų10544.6 Ų44.655%0.5523%0.23SC..Hα-helixtrans-69.1-46175.5-65.5174.9000111.7V136 V137 G138 H144 L451V136-L140 PolarHBondContact O-N 3.38Å; V137-L140 PolarHBondContact O-N 3.14Å; G138-L140 VanDerWaalsContact C-N 3.29Å; G138-L140 PolarHBondContact O-N 2.81Å; L140-H144 PolarHBondContact O-N 3.47Å; L140-H144 VanDerWaalsContact O-N 3.13Å; L140-L451 HydrophobicContact CD1-CD1 4.45Å; L140-L451 HydrophobicContact CD2-CD1 3.88Å; L140-L451 HydrophobicContact CG-CD1 4.48Å
141L92.4Very high91.1Very high80 Ų8044 Ų4442%0.41922%0.224SC..Hα-helixtrans-65.4-51.8-177.9-176.468.2000111.7V137 G138 G143 H144 I145 F187V137-L141 WeakPolarHBondContact O-CB 3.48Å; V137-L141 PolarHBondContact O-N 3.33Å; G138-L141 PolarHBondContact O-N 2.83Å; L141-G143 VanDerWaalsContact C-N 3.34Å; L141-H144 WeakPolarHBondContact O-CB 3.49Å; L141-H144 PolarHBondContact O-N 3.32Å; L141-I145 HydrophobicContact CD1-CD1 4.35Å; L141-I145 HydrophobicContact CD2-CD1 4.42Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 3.17Å; L141-F187 HydrophobicContact CD2-CD2 4.22Å; L141-F187 HydrophobicContact CD2-CE2 4.26Å
142F92.3Very high91.1Very high5 Ų545.2 Ų45.22%0.02223%0.23CC..Hα-helixtrans-71.7-28.3-179.2-80.2-70.5000112.7G138 I145 A146 L157 C158 M161 F187 I195G138-F142 WeakPolarHBondContact O-CB 3.42Å; G138-F142 WeakPolarHBondContact O-CD2 3.49Å; G138-F142 PolarHBondContact O-N 3.17Å; F142-I145 HydrophobicContact CD1-CD1 4.08Å; F142-I145 HydrophobicContact CE1-CD1 4.29Å; F142-I145 PolarHBondContact O-N 3.35Å; F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.37Å; F142-L157 HydrophobicContact CE1-CB 4.29Å; F142-L157 HydrophobicContact CE1-CD2 3.92Å; F142-L157 HydrophobicContact CE1-CG 3.93Å; F142-L157 HydrophobicContact CZ-CG 4.45Å; F142-C158 WeakPolarHBondContact CD1-SG 3.25Å; F142-C158 HydrophobicContact CE1-CB 4.35Å; F142-C158 WeakPolarHBondContact CE1-SG 3.43Å; F142-C158 WeakPolarHBondContact CG-SG 3.45Å; F142-C158 HydrophobicContact CZ-CB 4.44Å; F142-M161 HydrophobicContact CE2-SD 4.15Å; F142-M161 HydrophobicContact CZ-SD 3.89Å; F142-F187 HydrophobicContact CD2-CB 4.5Å; F142-F187 WeakPolarHBondContact CD2-O 3.48Å; F142-F187 HydrophobicContact CE2-CB 4.01Å; F142-I195 HydrophobicContact CB-CD1 4.17Å
143G85.8Confident91.3Very high32 Ų3250.5 Ų50.533%0.3325%0.252SS..Hα-helixtrans-56.6-50.1165.800000111.4S139 L141 A146 D147S139-G143 PolarHBondContact O-N 2.84Å; L141-G143 VanDerWaalsContact C-N 3.34Å; G143-A146 PolarHBondContact O-N 3.43Å; G143-D147 PolarHBondContact O-N 3.5Å; G143-D147 VanDerWaalsContact O-N 3.07Å
144H88.5Confident91.4Very high103 Ų10349.2 Ų49.248%0.47724%0.243SC..Hα-helixtrans-63.8-43.8176.6-174.676.7000113L140 L141 A146 D147 R148L140-H144 PolarHBondContact O-N 3.47Å; L140-H144 VanDerWaalsContact O-N 3.13Å; L141-H144 WeakPolarHBondContact O-CB 3.49Å; L141-H144 PolarHBondContact O-N 3.32Å; H144-A146 VanDerWaalsContact C-N 3.34Å; H144-A146 PolarHBondContact O-N 3.45Å; H144-D147 PolarHBondContact O-N 3.42Å; H144-R148 VanDerWaalsContact O-CB 3.29Å; H144-R148 WeakPolarHBondContact O-CB 3.44Å; H144-R148 PolarHBondContact O-N 2.81Å
145I92.5Very high91.4Very high30 Ų3049.2 Ų49.215%0.15424%0.243CC..Hα-helixtrans-62.2-44.3178.6-67.4168.6000110.3L141 F142 D147 R148 Y149 A154 L157L141-I145 HydrophobicContact CD1-CD1 4.35Å; L141-I145 HydrophobicContact CD2-CD1 4.42Å; L141-I145 HydrophobicContact CG-CD1 3.88Å; L141-I145 VanDerWaalsContact O-CG1 3.31Å; L141-I145 WeakPolarHBondContact O-CG1 3.38Å; L141-I145 PolarHBondContact O-N 3.17Å; F142-I145 HydrophobicContact CD1-CD1 4.08Å; F142-I145 HydrophobicContact CE1-CD1 4.29Å; F142-I145 PolarHBondContact O-N 3.35Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 2.91Å; I145-R148 PolarHBondContact O-N 3.27Å; I145-Y149 HydrophobicContact CB-CD2 4.49Å; I145-Y149 HydrophobicContact CG2-CD2 4.04Å; I145-Y149 PolarHBondContact O-N 3.04Å; I145-A154 HydrophobicContact CG2-CB 3.94Å; I145-L157 HydrophobicContact CD1-CD2 4.47Å; I145-L157 HydrophobicContact CG2-CD2 4.47Å
146A91.6Very high91.7Very high3 Ų349.3 Ų49.33%0.02524%0.243CC..Hα-helixtrans-61.5-40.7178.400000111.5F142 G143 H144 G150 R151 A154 I195F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.37Å; G143-A146 PolarHBondContact O-N 3.43Å; H144-A146 VanDerWaalsContact C-N 3.34Å; H144-A146 PolarHBondContact O-N 3.45Å; A146-G150 CarbonylContact O-C 3.59Å; A146-G150 VanDerWaalsContact O-C 3.32Å; A146-G150 PolarHBondContact O-N 2.93Å; A146-R151 PolarHBondContact O-NH1 3.15Å; A146-A154 VanDerWaalsContact CA-CB 3.48Å; A146-A154 HydrophobicContact CB-CB 3.64Å; A146-I195 HydrophobicContact CB-CD1 4.3Å; A146-I195 HydrophobicContact CB-CG1 4.35Å
147D87.2Confident91.9Very high85 Ų8552.4 Ų52.446%0.45526%0.258SS..Hα-helixtrans-71.4-35.8178.6-74.2-22000112.3G143 H144 I145 R151 W264 K268G143-D147 PolarHBondContact O-N 3.5Å; G143-D147 VanDerWaalsContact O-N 3.07Å; H144-D147 PolarHBondContact O-N 3.42Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 2.91Å; D147-R151 VanDerWaalsContact CA-NH1 3.31Å; D147-R151 IonicContact OD1-CZ 3.76Å; D147-R151 IonicContact OD1-NH1 2.94Å; D147-R151 PolarHBondContact OD1-NH1 3.06Å; D147-R151 IonicContact OD1-NH2 2.82Å; D147-R151 PolarHBondContact OD1-NH2 2.93Å; D147-W264 PolarHBondContact O-NE1 2.9Å; D147-K268 WeakPolarHBondContact O-CE 3.4Å; D147-K268 PolarHBondContact O-NZ 2.96Å
148R89Confident92Very high144 Ų14449.1 Ų49.154%0.54324%0.238SC..Hα-helixtrans-84.9-46.8-174.1-171.9170.4-175.6175.9-0.8113.4H144 I145H144-R148 VanDerWaalsContact O-CB 3.29Å; H144-R148 WeakPolarHBondContact O-CB 3.44Å; H144-R148 PolarHBondContact O-N 2.81Å; I145-R148 PolarHBondContact O-N 3.27Å
149Y91.4Very high92.2Very high128 Ų12849.1 Ų49.150%0.50224%0.238SC..Hα-helixtrans-105.8-15.4-169.1-64.8-76.6000114.4I145 W264I145-Y149 HydrophobicContact CB-CD2 4.49Å; I145-Y149 HydrophobicContact CG2-CD2 4.04Å; I145-Y149 PolarHBondContact O-N 3.04Å; Y149-W264 VanDerWaalsContact C-CZ2 3.41Å
150G90.3Very high92.5Very high0 Ų049.4 Ų49.40%024%0.242CC..  trans121.7148.1-179.600000112.1A146 A154 E260 W264A146-G150 CarbonylContact O-C 3.59Å; A146-G150 VanDerWaalsContact O-C 3.32Å; A146-G150 PolarHBondContact O-N 2.93Å; G150-A154 WeakPolarHBondContact O-CB 3.38Å; G150-A154 PolarHBondContact O-N 3.41Å; G150-A154 VanDerWaalsContact O-N 3.12Å; G150-E260 WeakPolarHBondContact CA-OE2 3.31Å; G150-W264 VanDerWaalsContact CA-CE2 3.47Å
151R92.2Very high92.8Very high33 Ų3346.6 Ų46.613%0.12523%0.227CC..Hα-helixtrans-69.1-44.8-176.5-60.1-76.2-178.4-11910.4110.5A146 D147 A154 L155 I195 L199 E202 E260A146-R151 PolarHBondContact O-NH1 3.15Å; D147-R151 VanDerWaalsContact CA-NH1 3.31Å; D147-R151 IonicContact OD1-CZ 3.76Å; D147-R151 IonicContact OD1-NH1 2.94Å; D147-R151 PolarHBondContact OD1-NH1 3.06Å; D147-R151 IonicContact OD1-NH2 2.82Å; D147-R151 PolarHBondContact OD1-NH2 2.93Å; R151-A154 PolarHBondContact O-N 3.46Å; R151-L155 WeakPolarHBondContact O-CB 3.23Å; R151-L155 PolarHBondContact O-N 3.03Å; R151-I195 WeakPolarHBondContact O-CG2 3.34Å; R151-L199 HydrophobicContact CB-CB 4.45Å; R151-L199 HydrophobicContact CB-CD1 3.92Å; R151-E202 IonicContact NE-OE1 2.65Å; R151-E202 PolarHBondContact NE-OE1 3.21Å; R151-E260 WeakPolarHBondContact CB-OE1 3.33Å; R151-E260 PolarHBondContact N-OE1 2.7Å; R151-E260 PolarHBondContact N-OE2 3.08Å
152K94.1Very high92.9Very high30 Ų3042.8 Ų42.813%0.1321%0.207CC..Hα-helixtrans-59.8-53.6177-179.6-169.8173.2166.50110.5A154 L155 F156 W255 I258 E260K152-A154 VanDerWaalsContact C-N 3.31Å; K152-A154 PolarHBondContact O-N 2.87Å; K152-L155 PolarHBondContact O-N 3.05Å; K152-F156 HydrophobicContact CG-CD2 3.92Å; K152-F156 HydrophobicContact CG-CE2 3.99Å; K152-F156 VanDerWaalsContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CD2 3.43Å; K152-F156 PolarHBondContact O-N 3.26Å; K152-F156 VanDerWaalsContact O-N 3.08Å; K152-W255 HydrophobicContact CD-CE3 4.41Å; K152-W255 HydrophobicContact CD-CH2 4.13Å; K152-W255 HydrophobicContact CD-CZ3 4.06Å; K152-W255 VanDerWaalsContact CE-CE3 3.45Å; K152-W255 WeakPolarHBondContact CE-O 3.43Å; K152-W255 HydrophobicContact CG-CE3 4.22Å; K152-W255 HydrophobicContact CG-CH2 4.23Å; K152-W255 HydrophobicContact CG-CZ3 3.76Å; K152-W255 PolarHBondContact NZ-O 2.88Å; K152-I258 VanDerWaalsContact CD-O 3.23Å; K152-I258 WeakPolarHBondContact CD-O 3.4Å; K152-I258 WeakPolarHBondContact CE-O 3.32Å; K152-I258 PolarHBondContact NZ-O 3.39Å; K152-E260 HydrophobicContact CB-CB 4.45Å; K152-E260 VanDerWaalsContact CB-OE2 3.25Å; K152-E260 WeakPolarHBondContact CB-OE2 3.39Å; K152-E260 PolarHBondContact N-OE1 2.98Å; K152-E260 PolarHBondContact N-OE2 2.95Å; K152-E260 VanDerWaalsContact N-OE2 3.17Å
153K94.9Very high93Very high123 Ų12342.8 Ų42.854%0.53521%0.207SC..Hα-helixtrans-57.6-44-178.9-73.8178.6-169.4172.20112.1L157 W255K153-L157 VanDerWaalsContact O-CB 3.31Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 PolarHBondContact O-N 3.39Å; K153-W255 HydrophobicContact CG-CH2 3.9Å
154A95.3Very high93.6Very high0 Ų047.1 Ų47.10%022%0.222CC..Hα-helixtrans-64-4517800000112.4I145 A146 G150 R151 K152 F156 L157 C158 I195I145-A154 HydrophobicContact CG2-CB 3.94Å; A146-A154 VanDerWaalsContact CA-CB 3.48Å; A146-A154 HydrophobicContact CB-CB 3.64Å; G150-A154 WeakPolarHBondContact O-CB 3.38Å; G150-A154 PolarHBondContact O-N 3.41Å; G150-A154 VanDerWaalsContact O-N 3.12Å; R151-A154 PolarHBondContact O-N 3.46Å; K152-A154 VanDerWaalsContact C-N 3.31Å; K152-A154 PolarHBondContact O-N 2.87Å; A154-F156 PolarHBondContact O-N 2.85Å; A154-L157 PolarHBondContact O-N 3.41Å; A154-C158 PolarHBondContact O-N 3.45Å; A154-C158 PolarHBondContact O-SG 3.41Å; A154-C158 VanDerWaalsContact O-SG 3.32Å; A154-I195 HydrophobicContact CB-CD1 4.07Å
155L95.1Very high94Very high0 Ų043.2 Ų43.20%021%0.205CC..Hα-helixtrans-57.1-51.2178179.260.6000111.7L16 R151 K152 L157 C158 V159 T192 I195 A196 L199 F251L16-L155 HydrophobicContact CD1-CD2 3.41Å; L16-L155 VanDerWaalsContact CD1-CD2 3.41Å; R151-L155 WeakPolarHBondContact O-CB 3.23Å; R151-L155 PolarHBondContact O-N 3.03Å; K152-L155 PolarHBondContact O-N 3.05Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-L157 PolarHBondContact O-N 2.78Å; L155-C158 WeakPolarHBondContact O-CB 3.34Å; L155-C158 PolarHBondContact O-N 3.08Å; L155-C158 VanDerWaalsContact O-N 3.16Å; L155-V159 HydrophobicContact CD1-CG2 4.36Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.26Å; L155-T192 HydrophobicContact CD1-CG2 4.08Å; L155-T192 VanDerWaalsContact CD1-O 3.32Å; L155-T192 WeakPolarHBondContact CD1-O 3.47Å; L155-I195 HydrophobicContact CB-CB 4.5Å; L155-I195 HydrophobicContact CB-CG2 3.75Å; L155-I195 HydrophobicContact CD1-CB 4.32Å; L155-I195 HydrophobicContact CD1-CG2 4.4Å; L155-A196 HydrophobicContact CD1-CB 4.13Å; L155-A196 HydrophobicContact CD2-CB 4.41Å; L155-L199 HydrophobicContact CD2-CD2 4.2Å; L155-F251 HydrophobicContact CD1-CE1 4.37Å; L155-F251 HydrophobicContact CD2-CE1 4.16Å; L155-F251 HydrophobicContact CD2-CZ 3.98Å; L155-F251 HydrophobicContact CG-CE1 4.25Å
156F96.3Very high94.1Very high11 Ų1142.1 Ų42.15%0.04820%0.201CC..Hα-helixtrans-71.2-28.4-177.9-79-89.9000112.9K152 A154 V159 A160 F251 L252 C254 W255 I258K152-F156 HydrophobicContact CG-CD2 3.92Å; K152-F156 HydrophobicContact CG-CE2 3.99Å; K152-F156 VanDerWaalsContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CD2 3.43Å; K152-F156 PolarHBondContact O-N 3.26Å; K152-F156 VanDerWaalsContact O-N 3.08Å; A154-F156 PolarHBondContact O-N 2.85Å; F156-V159 PolarHBondContact O-N 2.91Å; F156-A160 VanDerWaalsContact O-CB 3.26Å; F156-A160 WeakPolarHBondContact O-CB 3.24Å; F156-A160 PolarHBondContact O-N 3.05Å; F156-F251 WeakPolarHBondContact CE1-O 3.48Å; F156-L252 HydrophobicContact CD1-CD2 4.1Å; F156-C254 HydrophobicContact CZ-CB 4.37Å; F156-W255 HydrophobicContact CB-CE3 3.64Å; F156-W255 HydrophobicContact CB-CZ3 3.75Å; F156-W255 HydrophobicContact CD1-CB 4.09Å; F156-W255 AromaticContact CD1-CE3 3.86Å; F156-W255 HydrophobicContact CD1-CE3 3.86Å; F156-W255 AromaticContact CD2-CE3 3.35Å; F156-W255 HydrophobicContact CD2-CE3 3.35Å; F156-W255 AromaticContact CD2-CZ3 3.7Å; F156-W255 HydrophobicContact CD2-CZ3 3.7Å; F156-W255 VanDerWaalsContact CE1-CA 3.44Å; F156-W255 HydrophobicContact CE1-CB 3.74Å; F156-W255 HydrophobicContact CE1-CE3 4.33Å; F156-W255 VanDerWaalsContact CE1-N 3.28Å; F156-W255 AromaticContact CE2-CE3 3.88Å; F156-W255 HydrophobicContact CE2-CE3 3.88Å; F156-W255 HydrophobicContact CE2-CZ3 4.5Å; F156-W255 HydrophobicContact CG-CD2 4.48Å; F156-W255 AromaticContact CG-CE3 3.35Å; F156-W255 HydrophobicContact CG-CE3 3.35Å; F156-W255 AromaticContact CG-CZ3 3.85Å; F156-W255 HydrophobicContact CG-CZ3 3.85Å; F156-W255 HydrophobicContact CZ-CB 4.07Å; F156-W255 HydrophobicContact CZ-CE3 4.35Å; F156-W255 VanDerWaalsContact CZ-N 3.31Å; F156-I258 HydrophobicContact CE2-CB 4.28Å; F156-I258 HydrophobicContact CE2-CD1 4.13Å; F156-I258 HydrophobicContact CZ-CB 4.5Å; F156-I258 HydrophobicContact CZ-CD1 3.92Å
157L96.3Very high94.3Very high88 Ų8845.6 Ų45.646%0.46122%0.216SC..Hα-helixtrans-64.2-44168.3-177.863.3000111.2F142 I145 K153 A154 L155 A160 M161F142-L157 HydrophobicContact CE1-CB 4.29Å; F142-L157 HydrophobicContact CE1-CD2 3.92Å; F142-L157 HydrophobicContact CE1-CG 3.93Å; F142-L157 HydrophobicContact CZ-CG 4.45Å; I145-L157 HydrophobicContact CD1-CD2 4.47Å; I145-L157 HydrophobicContact CG2-CD2 4.47Å; K153-L157 VanDerWaalsContact O-CB 3.31Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 PolarHBondContact O-N 3.39Å; A154-L157 PolarHBondContact O-N 3.41Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-L157 PolarHBondContact O-N 2.78Å; L157-A160 PolarHBondContact O-N 3.2Å; L157-M161 VanDerWaalsContact O-CB 3.23Å; L157-M161 WeakPolarHBondContact O-CB 3.41Å; L157-M161 PolarHBondContact O-N 3.21Å
158C95.3Very high94.8Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-57.6-50.6173.3-65.70000110.7F142 A154 L155 A160 M161 S162 T188 T192F142-C158 WeakPolarHBondContact CD1-SG 3.25Å; F142-C158 HydrophobicContact CE1-CB 4.35Å; F142-C158 WeakPolarHBondContact CE1-SG 3.43Å; F142-C158 WeakPolarHBondContact CG-SG 3.45Å; F142-C158 HydrophobicContact CZ-CB 4.44Å; A154-C158 PolarHBondContact O-N 3.45Å; A154-C158 PolarHBondContact O-SG 3.41Å; A154-C158 VanDerWaalsContact O-SG 3.32Å; L155-C158 WeakPolarHBondContact O-CB 3.34Å; L155-C158 PolarHBondContact O-N 3.08Å; L155-C158 VanDerWaalsContact O-N 3.16Å; C158-A160 PolarHBondContact O-N 3.43Å; C158-M161 PolarHBondContact O-N 2.78Å; C158-S162 WeakPolarHBondContact O-CB 3.31Å; C158-S162 PolarHBondContact O-N 3.02Å; C158-S162 PolarHBondContact O-OG 3.2Å; C158-T188 WeakPolarHBondContact O-CG2 3.37Å; C158-T192 WeakPolarHBondContact CB-OG1 3.42Å
159V95.9Very high95.1Very high0 Ų036.3 Ų36.30%018%0.182CC..Hα-helixtrans-63.8-39.5-177.1174.30000112.4L155 F156 S162 S163 T192 G248 F251 L252L155-V159 HydrophobicContact CD1-CG2 4.36Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.26Å; F156-V159 PolarHBondContact O-N 2.91Å; V159-S162 PolarHBondContact O-OG 3.35Å; V159-S162 VanDerWaalsContact O-OG 3.05Å; V159-S163 WeakPolarHBondContact O-CB 3.26Å; V159-S163 PolarHBondContact O-N 2.92Å; V159-S163 PolarHBondContact O-OG 3.48Å; V159-T192 HydrophobicContact CG2-CG2 3.81Å; V159-G248 WeakPolarHBondContact CG1-O 3.13Å; V159-F251 HydrophobicContact CB-CD1 4.31Å; V159-F251 HydrophobicContact CG1-CB 4.1Å; V159-F251 HydrophobicContact CG1-CD1 3.9Å; V159-F251 HydrophobicContact CG1-CG 4.39Å; V159-F251 HydrophobicContact CG2-CD1 3.47Å; V159-F251 VanDerWaalsContact CG2-CD1 3.47Å; V159-F251 HydrophobicContact CG2-CE1 3.73Å; V159-L252 HydrophobicContact CB-CD2 4.1Å; V159-L252 HydrophobicContact CG1-CD2 3.7Å; V159-L252 HydrophobicContact CG1-CG 4Å
160A96.4Very high95.3Very high38 Ų3830.9 Ų30.931%0.31416%0.163SC..Hα-helixtrans-65.8-47.5176.200000110.8F156 L157 C158 S162 S163 L164 L252F156-A160 VanDerWaalsContact O-CB 3.26Å; F156-A160 WeakPolarHBondContact O-CB 3.24Å; F156-A160 PolarHBondContact O-N 3.05Å; L157-A160 PolarHBondContact O-N 3.2Å; C158-A160 PolarHBondContact O-N 3.43Å; A160-S162 VanDerWaalsContact C-N 3.32Å; A160-S162 PolarHBondContact O-N 3.43Å; A160-S163 PolarHBondContact O-N 3.45Å; A160-L164 WeakPolarHBondContact O-CB 3.3Å; A160-L164 PolarHBondContact O-N 3.47Å; A160-L252 HydrophobicContact CB-CD1 4.37Å; A160-L252 HydrophobicContact CB-CD2 3.92Å
161M96.1Very high95.6Very high46 Ų4634.2 Ų34.223%0.22719%0.19CC..Hα-helixtrans-61.8-41.8177.6-177.9175.2179.300111.3F142 L157 C158 L165 F184 F187 T188F142-M161 HydrophobicContact CE2-SD 4.15Å; F142-M161 HydrophobicContact CZ-SD 3.89Å; L157-M161 VanDerWaalsContact O-CB 3.23Å; L157-M161 WeakPolarHBondContact O-CB 3.41Å; L157-M161 PolarHBondContact O-N 3.21Å; C158-M161 PolarHBondContact O-N 2.78Å; M161-L165 HydrophobicContact CE-CD1 3.67Å; M161-L165 HydrophobicContact CG-CD1 3.52Å; M161-L165 HydrophobicContact CG-CG 4.37Å; M161-L165 VanDerWaalsContact O-CB 3.29Å; M161-L165 WeakPolarHBondContact O-CB 3.45Å; M161-L165 WeakPolarHBondContact O-CD1 3.35Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 3.27Å; M161-L165 HydrophobicContact SD-CD1 4.47Å; M161-F184 HydrophobicContact CE-CB 4.03Å; M161-F184 WeakPolarHBondContact CE-O 3.31Å; M161-F187 HydrophobicContact CE-CB 4.08Å; M161-F187 HydrophobicContact CE-CD2 4.03Å; M161-F187 HydrophobicContact CE-CG 4.21Å; M161-T188 HydrophobicContact CB-CG2 3.98Å; M161-T188 HydrophobicContact CG-CG2 3.91Å; M161-T188 HydrophobicContact SD-CG2 4.14Å
162S94.7Very high95.7Very high0 Ų032.9 Ų32.90%019%0.186CC..Hα-helixtrans-67.5-40.9-177.585.40000111.4T23 I27 C158 V159 A160 G166 T188T23-S162 WeakPolarHBondContact CG2-OG 3.43Å; I27-S162 WeakPolarHBondContact CD1-OG 3.37Å; C158-S162 WeakPolarHBondContact O-CB 3.31Å; C158-S162 PolarHBondContact O-N 3.02Å; C158-S162 PolarHBondContact O-OG 3.2Å; V159-S162 PolarHBondContact O-OG 3.35Å; V159-S162 VanDerWaalsContact O-OG 3.05Å; A160-S162 VanDerWaalsContact C-N 3.32Å; A160-S162 PolarHBondContact O-N 3.43Å; S162-G166 PolarHBondContact O-N 3.44Å; S162-T188 WeakPolarHBondContact CB-OG1 3.3Å
163S95.2Very high95.6Very high4 Ų436.9 Ų36.93%0.02821%0.213CC..Hα-helixtrans-69-47.2177.4-53.60000111.4V159 A160 L165 G166 F167 G248 T249V159-S163 WeakPolarHBondContact O-CB 3.26Å; V159-S163 PolarHBondContact O-N 2.92Å; V159-S163 PolarHBondContact O-OG 3.48Å; A160-S163 PolarHBondContact O-N 3.45Å; S163-L165 PolarHBondContact O-N 3.38Å; S163-G166 PolarHBondContact O-N 2.88Å; S163-F167 WeakPolarHBondContact O-CD2 3.1Å; S163-F167 PolarHBondContact O-N 3.32Å; S163-F167 VanDerWaalsContact O-N 3.12Å; S163-G248 WeakPolarHBondContact OG-CA 3.48Å; S163-T249 PolarHBondContact OG-N 3.49Å; S163-T249 VanDerWaalsContact OG-N 3.17Å
164L96.7Very high95.5Very high123 Ų12332.2 Ų32.264%0.64420%0.2SC*.Hα-helixtrans-59.6-47.7178.5178.663.6000111.7A160 G166 F167 A168A160-L164 WeakPolarHBondContact O-CB 3.3Å; A160-L164 PolarHBondContact O-N 3.47Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-F167 PolarHBondContact O-N 2.95Å; L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.45Å
165L96.7Very high95.5Very high21 Ų2133.2 Ų33.211%0.1121%0.206CC..Hα-helixtrans-71.8-29.6-178.4-67.9169.2000112.6M161 S163 S169 L181 F184 A185M161-L165 HydrophobicContact CE-CD1 3.67Å; M161-L165 HydrophobicContact CG-CD1 3.52Å; M161-L165 HydrophobicContact CG-CG 4.37Å; M161-L165 VanDerWaalsContact O-CB 3.29Å; M161-L165 WeakPolarHBondContact O-CB 3.45Å; M161-L165 WeakPolarHBondContact O-CD1 3.35Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 3.27Å; M161-L165 HydrophobicContact SD-CD1 4.47Å; S163-L165 PolarHBondContact O-N 3.38Å; L165-S169 VanDerWaalsContact O-CB 3.25Å; L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 2.86Å; L165-S169 PolarHBondContact O-OG 3.43Å; L165-L181 HydrophobicContact CD2-CD2 4.05Å; L165-F184 VanDerWaalsContact CD1-C 3.41Å; L165-F184 HydrophobicContact CD1-CB 3.52Å; L165-F184 HydrophobicContact CD2-CB 4.07Å; L165-F184 HydrophobicContact CG-CB 4.47Å; L165-A185 HydrophobicContact CB-CB 4Å; L165-A185 HydrophobicContact CD1-CB 4.47Å
166G95.1Very high95.5Very high7 Ų740.5 Ų40.57%0.07224%0.238CC..Hα-helixtrans-63-48.5171.700000112.3S162 S163 L164 S169 S170 S245S162-G166 PolarHBondContact O-N 3.44Å; S163-G166 PolarHBondContact O-N 2.88Å; L164-G166 VanDerWaalsContact C-N 3.34Å; G166-S169 PolarHBondContact O-N 2.94Å; G166-S170 PolarHBondContact O-N 2.65Å; G166-S170 VanDerWaalsContact O-N 3.09Å; G166-S245 VanDerWaalsContact CA-OG 3.29Å; G166-S245 WeakPolarHBondContact CA-OG 3.4Å
167F96.8Very high95.5Very high76 Ų7643.8 Ų43.833%0.33326%0.259SS..Hα-helixtrans-65.2-40.5174-67.2-57.7000113S163 L164 S169 S170 A171 V242 T249S163-F167 WeakPolarHBondContact O-CD2 3.1Å; S163-F167 PolarHBondContact O-N 3.32Å; S163-F167 VanDerWaalsContact O-N 3.12Å; L164-F167 PolarHBondContact O-N 2.95Å; F167-S169 VanDerWaalsContact C-N 3.28Å; F167-S169 PolarHBondContact O-N 2.99Å; F167-S170 PolarHBondContact O-N 3.13Å; F167-S170 PolarHBondContact O-OG 3.49Å; F167-A171 PolarHBondContact O-N 3.4Å; F167-V242 HydrophobicContact CD1-CB 4.47Å; F167-V242 HydrophobicContact CD1-CG1 4.27Å; F167-V242 HydrophobicContact CD1-CG2 4.31Å; F167-V242 HydrophobicContact CE1-CB 4.33Å; F167-V242 HydrophobicContact CE1-CG1 3.79Å; F167-T249 VanDerWaalsContact CE2-OG1 3.32Å; F167-T249 WeakPolarHBondContact CE2-OG1 3.28Å
168A97.1Very high95.5Very high35 Ų3539.7 Ų39.729%0.28924%0.237SC..Hα-helixtrans-61.9-39.9175.400000111.1L164 S170 A171 A172 L181L164-A168 WeakPolarHBondContact O-CB 3.34Å; L164-A168 PolarHBondContact O-N 3.45Å; A168-S170 PolarHBondContact O-N 3.41Å; A168-A171 PolarHBondContact O-N 3.03Å; A168-A172 PolarHBondContact O-N 3.33Å; A168-L181 HydrophobicContact CB-CD1 4.03Å; A168-L181 HydrophobicContact CB-CD2 4.08Å; A168-L181 WeakPolarHBondContact O-CD1 3.49Å
169S96.1Very high95.6Very high0 Ų039.9 Ų39.90%024%0.238CC..Hα-helixtrans-66.1-35.7178.1-61.10000112.2L165 G166 F167 A171 A172 L181L165-S169 VanDerWaalsContact O-CB 3.25Å; L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 2.86Å; L165-S169 PolarHBondContact O-OG 3.43Å; G166-S169 PolarHBondContact O-N 2.94Å; F167-S169 VanDerWaalsContact C-N 3.28Å; F167-S169 PolarHBondContact O-N 2.99Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 2.96Å; S169-A172 WeakPolarHBondContact O-CB 3.22Å; S169-A172 PolarHBondContact O-N 3.1Å; S169-L181 WeakPolarHBondContact OG-CB 3.48Å
170S95.5Very high95.6Very high14 Ų1442.1 Ų42.110%0.09826%0.257CS..Hα-helixtrans-69.6-24175.162.20000113.4G166 F167 A168 R238 V242G166-S170 PolarHBondContact O-N 2.65Å; G166-S170 VanDerWaalsContact O-N 3.09Å; F167-S170 PolarHBondContact O-N 3.13Å; F167-S170 PolarHBondContact O-OG 3.49Å; A168-S170 PolarHBondContact O-N 3.41Å; S170-R238 WeakPolarHBondContact CB-O 3.44Å; S170-R238 PolarHBondContact O-NH1 3.19Å; S170-V242 WeakPolarHBondContact OG-CG2 3.42Å
171A95.5Very high95.6Very high69 Ų6942.1 Ų42.157%0.5725%0.251SS*.Hα-helixtrans-88.7-8177.100000113.2F167 A168 S169 T173F167-A171 PolarHBondContact O-N 3.4Å; A168-A171 PolarHBondContact O-N 3.03Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 2.96Å; A171-T173 PolarHBondContact O-N 2.95Å
172A94.6Very high95.6Very high6 Ų640.1 Ų40.15%0.0524%0.241CC..  trans-64.5134.6-177.400000111.9A168 S169 F178 L181 R238A168-A172 PolarHBondContact O-N 3.33Å; S169-A172 WeakPolarHBondContact O-CB 3.22Å; S169-A172 PolarHBondContact O-N 3.1Å; A172-F178 HydrophobicContact CB-CB 3.87Å; A172-F178 HydrophobicContact CB-CD2 4.41Å; A172-L181 HydrophobicContact CB-CD1 4.27Å; A172-R238 PolarHBondContact O-NH1 3.42Å; A172-R238 PolarHBondContact O-NH2 3.47Å
173T92Very high95.7Very high114 Ų11442.8 Ų42.870%0.69925%0.253SS*.  trans-105.7-817953.20000113.3M114 A171M114-T173 VanDerWaalsContact CE-C 3.48Å; M114-T173 WeakPolarHBondContact CE-O 3.4Å; M114-T173 VanDerWaalsContact SD-O 3.35Å; A171-T173 PolarHBondContact O-N 2.95Å
174G93.7Very high95.7Very high24 Ų2447.1 Ų47.125%0.24727%0.271CS..SBendtrans-129.8141-18000000111.6K176 T177 F178G174-K176 PolarHBondContact O-N 3.45Å; G174-T177 PolarHBondContact O-N 3.15Å; G174-F178 WeakPolarHBondContact O-CB 3.17Å; G174-F178 PolarHBondContact O-N 2.8Å
175V94.4Very high95.7Very high21 Ų2141.3 Ų41.313%0.12724%0.241CC..Hα-helixtrans-57.3-37.1-179.468.40000112.6L116 W123 T179L116-V175 HydrophobicContact CD1-CB 4.27Å; L116-V175 HydrophobicContact CD1-CG2 3.64Å; L116-V175 HydrophobicContact CD2-CB 4.3Å; L116-V175 HydrophobicContact CD2-CG1 4.4Å; L116-V175 HydrophobicContact CD2-CG2 4.16Å; W123-V175 HydrophobicContact CB-CG2 4.02Å; W123-V175 HydrophobicContact CD2-CG1 4.02Å; W123-V175 HydrophobicContact CD2-CG2 3.76Å; W123-V175 HydrophobicContact CE3-CG1 4.19Å; W123-V175 HydrophobicContact CE3-CG2 3.62Å; W123-V175 HydrophobicContact CG-CG2 3.95Å; W123-V175 HydrophobicContact CH2-CG1 4.47Å; W123-V175 HydrophobicContact CZ2-CG1 4.3Å; W123-V175 HydrophobicContact CZ3-CG1 4.41Å; W123-V175 HydrophobicContact CZ3-CG2 4.38Å; V175-T179 WeakPolarHBondContact O-CB 3.38Å; V175-T179 PolarHBondContact O-N 3.15Å; V175-T179 PolarHBondContact O-OG1 3.18Å
176K95.7Very high95.6Very high154 Ų15440.3 Ų40.367%0.6724%0.236SC*.Hα-helixtrans-66.4-47178.1-63.2-178.3-175.3177.50111.6W123 G174 T179 A180W123-K176 HydrophobicContact CH2-CG 3.84Å; W123-K176 HydrophobicContact CZ2-CG 4.42Å; W123-K176 HydrophobicContact CZ3-CG 4.44Å; G174-K176 PolarHBondContact O-N 3.45Å; K176-T179 PolarHBondContact O-N 2.96Å; K176-A180 WeakPolarHBondContact O-CB 3.5Å; K176-A180 PolarHBondContact O-N 3.34Å
177T96Very high95.6Very high80 Ų8041 Ų4149%0.49124%0.237SC..Hα-helixtrans-64-45.7177.4-51.40000110.9G174 T179 A180 L181G174-T177 PolarHBondContact O-N 3.15Å; T177-T179 VanDerWaalsContact C-N 3.34Å; T177-T179 PolarHBondContact O-N 3.37Å; T177-A180 PolarHBondContact O-N 3.03Å; T177-L181 HydrophobicContact CG2-CD1 4.15Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.48Å; T177-L181 PolarHBondContact O-N 3.03Å
178F96.4Very high95.5Very high1 Ų137.5 Ų37.50%0.00422%0.222CC..Hα-helixtrans-55.8-50174.2173.3-91.9000111.1V34 L110 A172 G174 A180 L181 R182 W237 L241V34-F178 HydrophobicContact CG1-CE2 4.05Å; V34-F178 HydrophobicContact CG1-CZ 3.62Å; L110-F178 HydrophobicContact CD1-CD1 4.13Å; L110-F178 HydrophobicContact CD1-CD2 4.26Å; L110-F178 HydrophobicContact CD1-CE1 4.43Å; L110-F178 HydrophobicContact CD1-CG 4.04Å; L110-F178 HydrophobicContact CD2-CD1 3.57Å; L110-F178 HydrophobicContact CD2-CE1 3.41Å; L110-F178 VanDerWaalsContact CD2-CE1 3.41Å; L110-F178 HydrophobicContact CD2-CG 4.32Å; L110-F178 HydrophobicContact CD2-CZ 4.02Å; L110-F178 HydrophobicContact CG-CE1 4.49Å; A172-F178 HydrophobicContact CB-CB 3.87Å; A172-F178 HydrophobicContact CB-CD2 4.41Å; G174-F178 WeakPolarHBondContact O-CB 3.17Å; G174-F178 PolarHBondContact O-N 2.8Å; F178-A180 PolarHBondContact O-N 2.71Å; F178-L181 PolarHBondContact O-N 2.82Å; F178-R182 HydrophobicContact CD1-CG 4.11Å; F178-R182 HydrophobicContact CE1-CG 3.67Å; F178-R182 HydrophobicContact CE2-CG 4.16Å; F178-R182 HydrophobicContact CZ-CG 3.72Å; F178-R182 WeakPolarHBondContact O-CG 3.18Å; F178-R182 PolarHBondContact O-N 3.41Å; F178-W237 HydrophobicContact CD2-CH2 4.21Å; F178-W237 AromaticContact CD2-CZ3 3.84Å; F178-W237 HydrophobicContact CD2-CZ3 3.84Å; F178-W237 HydrophobicContact CE2-CE3 4.22Å; F178-W237 HydrophobicContact CE2-CH2 4.39Å; F178-W237 AromaticContact CE2-CZ3 3.6Å; F178-W237 HydrophobicContact CE2-CZ3 3.6Å; F178-L241 HydrophobicContact CE2-CD1 4.05Å
179T96Very high95.2Very high4 Ų437.1 Ų37.13%0.02521%0.214CC..Hα-helixtrans-63.2-40.3-178.7-60.30000112.1I130 V175 K176 T177 R182 F183I130-T179 HydrophobicContact CB-CG2 3.97Å; I130-T179 HydrophobicContact CD1-CG2 3.33Å; I130-T179 HydrophobicContact CG1-CG2 4.23Å; I130-T179 HydrophobicContact CG2-CG2 3.84Å; V175-T179 WeakPolarHBondContact O-CB 3.38Å; V175-T179 PolarHBondContact O-N 3.15Å; V175-T179 PolarHBondContact O-OG1 3.18Å; K176-T179 PolarHBondContact O-N 2.96Å; T177-T179 VanDerWaalsContact C-N 3.34Å; T177-T179 PolarHBondContact O-N 3.37Å; T179-R182 PolarHBondContact O-N 3.05Å; T179-F183 PolarHBondContact O-N 3.4Å
180A96.8Very high94.9Very high48 Ų4838.4 Ų38.440%0.39722%0.222SC..Hα-helixtrans-64.7-42.3174.800000112.2K176 T177 F178 R182 F183 F184K176-A180 WeakPolarHBondContact O-CB 3.5Å; K176-A180 PolarHBondContact O-N 3.34Å; T177-A180 PolarHBondContact O-N 3.03Å; F178-A180 PolarHBondContact O-N 2.71Å; A180-R182 VanDerWaalsContact C-N 3.31Å; A180-R182 PolarHBondContact O-N 2.98Å; A180-F183 WeakPolarHBondContact O-CB 3.21Å; A180-F183 PolarHBondContact O-N 3.3Å; A180-F184 WeakPolarHBondContact O-CD2 3.42Å; A180-F184 PolarHBondContact O-N 3.29Å
181L97.1Very high94.7Very high37 Ų3738 Ų3819%0.19422%0.219CC..Hα-helixtrans-64.6-37.9175.4-69.3169.7000111.6L165 A168 S169 A172 T177 F178 F184 A185L165-L181 HydrophobicContact CD2-CD2 4.05Å; A168-L181 HydrophobicContact CB-CD1 4.03Å; A168-L181 HydrophobicContact CB-CD2 4.08Å; A168-L181 WeakPolarHBondContact O-CD1 3.49Å; S169-L181 WeakPolarHBondContact OG-CB 3.48Å; A172-L181 HydrophobicContact CB-CD1 4.27Å; T177-L181 HydrophobicContact CG2-CD1 4.15Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.48Å; T177-L181 PolarHBondContact O-N 3.03Å; F178-L181 PolarHBondContact O-N 2.82Å; L181-F184 PolarHBondContact O-N 3.17Å; L181-A185 PolarHBondContact O-N 3.38Å
182R95.2Very high94.6Very high4 Ų434.7 Ų34.72%0.01519%0.192CC..Hα-helixtrans-65.3-36174.9-71.7-57.6-169.7133.815.6113.1F131 F178 T179 A180 F184 A185 G186 L241F131-R182 HydrophobicContact CB-CB 4.48Å; F131-R182 HydrophobicContact CD2-CB 4.25Å; F131-R182 WeakPolarHBondContact CD2-O 3.36Å; F178-R182 HydrophobicContact CD1-CG 4.11Å; F178-R182 HydrophobicContact CE1-CG 3.67Å; F178-R182 HydrophobicContact CE2-CG 4.16Å; F178-R182 HydrophobicContact CZ-CG 3.72Å; F178-R182 WeakPolarHBondContact O-CG 3.18Å; F178-R182 PolarHBondContact O-N 3.41Å; T179-R182 PolarHBondContact O-N 3.05Å; A180-R182 VanDerWaalsContact C-N 3.31Å; A180-R182 PolarHBondContact O-N 2.98Å; R182-F184 VanDerWaalsContact C-N 3.32Å; R182-F184 PolarHBondContact O-N 3.34Å; R182-A185 PolarHBondContact O-N 2.98Å; R182-G186 PolarHBondContact O-N 2.54Å; R182-L241 VanDerWaalsContact CZ-CD2 3.42Å; R182-L241 VanDerWaalsContact NH2-CD1 3.32Å
183F96.3Very high94.4Very high57 Ų5736.7 Ų36.725%0.2520%0.199CC..Hα-helixtrans-53.3-51.3171.1177-106.3000111.3I130 S133 G134 T179 A180 G186 F187I130-F183 HydrophobicContact CG2-CB 3.57Å; I130-F183 HydrophobicContact CG2-CD2 3.97Å; I130-F183 HydrophobicContact CG2-CG 4.2Å; I130-F183 WeakPolarHBondContact O-CD2 3.5Å; S133-F183 WeakPolarHBondContact OG-CD2 3.49Å; S133-F183 WeakPolarHBondContact OG-CE2 3.14Å; G134-F183 WeakPolarHBondContact CA-O 3.15Å; T179-F183 PolarHBondContact O-N 3.4Å; A180-F183 WeakPolarHBondContact O-CB 3.21Å; A180-F183 PolarHBondContact O-N 3.3Å; F183-G186 PolarHBondContact O-N 3.05Å; F183-F187 AromaticContact CD1-CE1 3.96Å; F183-F187 HydrophobicContact CD1-CE1 3.96Å; F183-F187 HydrophobicContact CD1-CZ 4.43Å; F183-F187 AromaticContact CE1-CE1 3.47Å; F183-F187 HydrophobicContact CE1-CE1 3.47Å; F183-F187 VanDerWaalsContact CE1-CE1 3.47Å; F183-F187 AromaticContact CE1-CZ 3.68Å; F183-F187 HydrophobicContact CE1-CZ 3.68Å; F183-F187 HydrophobicContact CE2-CE1 4.23Å; F183-F187 AromaticContact CZ-CE1 3.63Å; F183-F187 HydrophobicContact CZ-CE1 3.63Å; F183-F187 HydrophobicContact CZ-CZ 4.01Å; F183-F187 WeakPolarHBondContact O-CD1 3.41Å
184F96.9Very high94.3Very high94 Ų9434.3 Ų34.341%0.41218%0.184SC..Hα-helixtrans-68.8-37.6178.9-63.6-67.1000112M161 L165 A180 L181 R182 G186 F187M161-F184 HydrophobicContact CE-CB 4.03Å; M161-F184 WeakPolarHBondContact CE-O 3.31Å; L165-F184 VanDerWaalsContact CD1-C 3.41Å; L165-F184 HydrophobicContact CD1-CB 3.52Å; L165-F184 HydrophobicContact CD2-CB 4.07Å; L165-F184 HydrophobicContact CG-CB 4.47Å; A180-F184 WeakPolarHBondContact O-CD2 3.42Å; A180-F184 PolarHBondContact O-N 3.29Å; L181-F184 PolarHBondContact O-N 3.17Å; R182-F184 VanDerWaalsContact C-N 3.32Å; R182-F184 PolarHBondContact O-N 3.34Å; F184-G186 PolarHBondContact O-N 2.91Å; F184-F187 HydrophobicContact CD1-CZ 4.31Å; F184-F187 VanDerWaalsContact O-CB 3.3Å; F184-F187 WeakPolarHBondContact O-CB 3.47Å; F184-F187 PolarHBondContact O-N 2.96Å
185A95.5Very high94.3Very high2 Ų233.5 Ų33.52%0.01717%0.174CC..Hα-helixtrans-60.6-37176.200000110.7F131 L165 L181 R182 F187 T188F131-A185 HydrophobicContact CE2-CB 4.21Å; L165-A185 HydrophobicContact CB-CB 4Å; L165-A185 HydrophobicContact CD1-CB 4.47Å; L181-A185 PolarHBondContact O-N 3.38Å; R182-A185 PolarHBondContact O-N 2.98Å; A185-F187 PolarHBondContact O-N 3.16Å; A185-F187 VanDerWaalsContact O-N 3.15Å; A185-T188 PolarHBondContact O-N 3Å; A185-T188 VanDerWaalsContact O-N 3.14Å; A185-T188 PolarHBondContact O-OG1 2.98Å
186G94.9Very high94.2Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-51.7-32.817300000113.1S135 R182 F183 F184 T188 F189S135-G186 WeakPolarHBondContact CA-O 3.41Å; S135-G186 PolarHBondContact N-O 3.19Å; S135-G186 PolarHBondContact OG-O 3.31Å; R182-G186 PolarHBondContact O-N 2.54Å; F183-G186 PolarHBondContact O-N 3.05Å; F184-G186 PolarHBondContact O-N 2.91Å; G186-T188 PolarHBondContact O-N 3.4Å; G186-F189 PolarHBondContact O-N 3.22Å
187F94.7Very high93.9Very high22 Ų2225.8 Ų25.810%0.09614%0.14CC..THydrogen-bonded Turntrans-59.4-28.9-177.7-74.425.3000113G134 V137 G138 L141 F142 M161 F183 F184 A185 F189 S191G134-F187 WeakPolarHBondContact O-CA 3.49Å; G134-F187 WeakPolarHBondContact O-CD1 3.44Å; V137-F187 HydrophobicContact CB-CE1 4.13Å; V137-F187 HydrophobicContact CB-CZ 4.25Å; V137-F187 HydrophobicContact CG1-CE1 4.11Å; V137-F187 HydrophobicContact CG1-CE2 4.18Å; V137-F187 HydrophobicContact CG1-CZ 3.71Å; G138-F187 WeakPolarHBondContact CA-O 3.27Å; L141-F187 HydrophobicContact CD2-CD2 4.22Å; L141-F187 HydrophobicContact CD2-CE2 4.26Å; F142-F187 HydrophobicContact CD2-CB 4.5Å; F142-F187 WeakPolarHBondContact CD2-O 3.48Å; F142-F187 HydrophobicContact CE2-CB 4.01Å; M161-F187 HydrophobicContact CE-CB 4.08Å; M161-F187 HydrophobicContact CE-CD2 4.03Å; M161-F187 HydrophobicContact CE-CG 4.21Å; F183-F187 AromaticContact CD1-CE1 3.96Å; F183-F187 HydrophobicContact CD1-CE1 3.96Å; F183-F187 HydrophobicContact CD1-CZ 4.43Å; F183-F187 AromaticContact CE1-CE1 3.47Å; F183-F187 HydrophobicContact CE1-CE1 3.47Å; F183-F187 VanDerWaalsContact CE1-CE1 3.47Å; F183-F187 AromaticContact CE1-CZ 3.68Å; F183-F187 HydrophobicContact CE1-CZ 3.68Å; F183-F187 HydrophobicContact CE2-CE1 4.23Å; F183-F187 AromaticContact CZ-CE1 3.63Å; F183-F187 HydrophobicContact CZ-CE1 3.63Å; F183-F187 HydrophobicContact CZ-CZ 4.01Å; F183-F187 WeakPolarHBondContact O-CD1 3.41Å; F184-F187 HydrophobicContact CD1-CZ 4.31Å; F184-F187 VanDerWaalsContact O-CB 3.3Å; F184-F187 WeakPolarHBondContact O-CB 3.47Å; F184-F187 PolarHBondContact O-N 2.96Å; A185-F187 PolarHBondContact O-N 3.16Å; A185-F187 VanDerWaalsContact O-N 3.15Å; F187-F189 VanDerWaalsContact C-N 3.35Å; F187-S191 PolarHBondContact O-OG 3.4Å
188T94.5Very high93.5Very high2 Ų224.9 Ų24.91%0.01213%0.131CC..THydrogen-bonded Turntrans-84.9-12.4-176.470.90000112.6C158 M161 S162 A185 G186 S191 T192C158-T188 WeakPolarHBondContact O-CG2 3.37Å; M161-T188 HydrophobicContact CB-CG2 3.98Å; M161-T188 HydrophobicContact CG-CG2 3.91Å; M161-T188 HydrophobicContact SD-CG2 4.14Å; S162-T188 WeakPolarHBondContact CB-OG1 3.3Å; A185-T188 PolarHBondContact O-N 3Å; A185-T188 VanDerWaalsContact O-N 3.14Å; A185-T188 PolarHBondContact O-OG1 2.98Å; G186-T188 PolarHBondContact O-N 3.4Å; T188-S191 PolarHBondContact O-N 3.18Å; T188-T192 WeakPolarHBondContact O-CB 3.25Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 3.22Å
189F92.1Very high93.2Very high26 Ų2624.9 Ų24.911%0.11413%0.131CC..THydrogen-bonded Turntrans-109.4128.7177.2-179.3-105.6000110G24 F29 F131 S135 G186 F187 S191G24-F189 WeakPolarHBondContact O-CD2 3.35Å; G24-F189 WeakPolarHBondContact O-CE2 3.38Å; F29-F189 HydrophobicContact CE1-CZ 4.33Å; F29-F189 HydrophobicContact CZ-CZ 4.3Å; F131-F189 HydrophobicContact CE1-CB 4.3Å; F131-F189 AromaticContact CE1-CD1 3.71Å; F131-F189 HydrophobicContact CE1-CD1 3.71Å; F131-F189 HydrophobicContact CE1-CE1 4.4Å; F131-F189 HydrophobicContact CE1-CG 4.22Å; F131-F189 HydrophobicContact CZ-CB 3.92Å; F131-F189 HydrophobicContact CZ-CD1 4.17Å; F131-F189 HydrophobicContact CZ-CG 4.21Å; S135-F189 VanDerWaalsContact CA-O 3.25Å; S135-F189 WeakPolarHBondContact CA-O 2.85Å; S135-F189 WeakPolarHBondContact CB-O 3.45Å; S135-F189 PolarHBondContact OG-O 3.29Å; G186-F189 PolarHBondContact O-N 3.22Å; F187-F189 VanDerWaalsContact C-N 3.35Å; F189-S191 VanDerWaalsContact C-N 3.33Å
190P89.5Confident92.9Very high27 Ų2724.7 Ų24.718%0.17513%0.13CC..THydrogen-bonded Turncis-86.514.1-7.537-37.4000113.8T192 Y193 T194 M454P190-T192 VanDerWaalsContact C-N 3.31Å; P190-T192 PolarHBondContact O-N 2.66Å; P190-Y193 PolarHBondContact O-N 2.9Å; P190-Y193 VanDerWaalsContact O-N 3.14Å; P190-T194 PolarHBondContact O-N 2.91Å; P190-T194 PolarHBondContact O-OG1 3.24Å; P190-M454 HydrophobicContact CG-CE 3.5Å; P190-M454 VanDerWaalsContact CG-CE 3.5Å
191S91.2Very high92.3Very high5 Ų524.7 Ų24.74%0.03512%0.122CC..Hα-helixtrans-50.7-44.4-175.2-540000113.6F187 T188 F189 Y193 T194 I195F187-S191 PolarHBondContact O-OG 3.4Å; T188-S191 PolarHBondContact O-N 3.18Å; F189-S191 VanDerWaalsContact C-N 3.33Å; S191-Y193 PolarHBondContact O-N 3.13Å; S191-T194 PolarHBondContact O-N 3.23Å; S191-I195 WeakPolarHBondContact O-CB 3.49Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.26Å; S191-I195 PolarHBondContact O-N 2.93Å
192T92.9Very high91.8Very high1 Ų124.4 Ų24.41%0.00612%0.119CC..Hα-helixtrans-58.4-47.7179.1-580000112.1T23 L155 C158 V159 T188 P190 A196T23-T192 HydrophobicContact CG2-CG2 4.3Å; L155-T192 HydrophobicContact CD1-CG2 4.08Å; L155-T192 VanDerWaalsContact CD1-O 3.32Å; L155-T192 WeakPolarHBondContact CD1-O 3.47Å; C158-T192 WeakPolarHBondContact CB-OG1 3.42Å; V159-T192 HydrophobicContact CG2-CG2 3.81Å; T188-T192 WeakPolarHBondContact O-CB 3.25Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 3.22Å; P190-T192 VanDerWaalsContact C-N 3.31Å; P190-T192 PolarHBondContact O-N 2.66Å; T192-A196 WeakPolarHBondContact O-CB 3.44Å; T192-A196 PolarHBondContact O-N 2.96Å; T192-A196 VanDerWaalsContact O-N 3.16Å
193Y91.5Very high91.2Very high48 Ų4825 Ų2519%0.18812%0.122CC..Hα-helixtrans-65-47.2177.5171.1-98.7000111P190 S191 I195 A196 V197 F216 Y220P190-Y193 PolarHBondContact O-N 2.9Å; P190-Y193 VanDerWaalsContact O-N 3.14Å; S191-Y193 PolarHBondContact O-N 3.13Å; Y193-I195 PolarHBondContact O-N 3.34Å; Y193-A196 PolarHBondContact O-N 3.1Å; Y193-V197 HydrophobicContact CD1-CG2 4.3Å; Y193-V197 HydrophobicContact CD2-CG2 4.31Å; Y193-V197 HydrophobicContact CE1-CG2 3.87Å; Y193-V197 HydrophobicContact CE2-CG2 3.9Å; Y193-V197 WeakPolarHBondContact O-CG2 3.32Å; Y193-V197 PolarHBondContact O-N 3.47Å; Y193-F216 HydrophobicContact CE2-CB 4.42Å; Y193-F216 HydrophobicContact CE2-CD1 4.1Å; Y193-Y220 AromaticContact CD2-CD2 3.71Å; Y193-Y220 HydrophobicContact CD2-CD2 3.71Å; Y193-Y220 HydrophobicContact CD2-CE2 4.22Å; Y193-Y220 AromaticContact CE2-CD2 3.78Å; Y193-Y220 HydrophobicContact CE2-CD2 3.78Å; Y193-Y220 HydrophobicContact CE2-CG 4.21Å; Y193-Y220 HydrophobicContact CG-CD2 4.3Å; Y193-Y220 HydrophobicContact CG-CE2 4.37Å
194T89.8Confident90.5Very high63 Ų6322.6 Ų22.639%0.38711%0.112SC..Hα-helixtrans-62.7-45.6-175.6-53.70000111.7P190 S191 A196 V197 I198P190-T194 PolarHBondContact O-N 2.91Å; P190-T194 PolarHBondContact O-OG1 3.24Å; S191-T194 PolarHBondContact O-N 3.23Å; T194-A196 VanDerWaalsContact C-N 3.33Å; T194-A196 PolarHBondContact O-N 3.5Å; T194-V197 PolarHBondContact O-N 3.33Å; T194-I198 HydrophobicContact CG2-CD1 4.01Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.19Å; T194-I198 PolarHBondContact O-N 3.16Å
195I92.1Very high89.4Confident7 Ų718.9 Ų18.94%0.03610%0.1CC..Hα-helixtrans-66.8-37.8178.5-62.4165.9000110.5F142 A146 R151 A154 L155 S191 Y193 I198 L199F142-I195 HydrophobicContact CB-CD1 4.17Å; A146-I195 HydrophobicContact CB-CD1 4.3Å; A146-I195 HydrophobicContact CB-CG1 4.35Å; R151-I195 WeakPolarHBondContact O-CG2 3.34Å; A154-I195 HydrophobicContact CB-CD1 4.07Å; L155-I195 HydrophobicContact CB-CB 4.5Å; L155-I195 HydrophobicContact CB-CG2 3.75Å; L155-I195 HydrophobicContact CD1-CB 4.32Å; L155-I195 HydrophobicContact CD1-CG2 4.4Å; S191-I195 WeakPolarHBondContact O-CB 3.49Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.26Å; S191-I195 PolarHBondContact O-N 2.93Å; Y193-I195 PolarHBondContact O-N 3.34Å; I195-I198 PolarHBondContact O-N 3.44Å; I195-L199 VanDerWaalsContact O-CB 3.31Å; I195-L199 WeakPolarHBondContact O-CB 3.42Å; I195-L199 PolarHBondContact O-N 2.88Å
196A92.7Very high88.3Confident0 Ų023.3 Ų23.30%012%0.123CC..Hα-helixtrans-62.9-42.7176.100000112.2L16 L155 T192 Y193 T194 A200 F216L16-A196 HydrophobicContact CD1-CB 3.77Å; L16-A196 VanDerWaalsContact CD2-O 3.26Å; L16-A196 WeakPolarHBondContact CD2-O 3.39Å; L16-A196 HydrophobicContact CG-CB 4.09Å; L155-A196 HydrophobicContact CD1-CB 4.13Å; L155-A196 HydrophobicContact CD2-CB 4.41Å; T192-A196 WeakPolarHBondContact O-CB 3.44Å; T192-A196 PolarHBondContact O-N 2.96Å; T192-A196 VanDerWaalsContact O-N 3.16Å; Y193-A196 PolarHBondContact O-N 3.1Å; T194-A196 VanDerWaalsContact C-N 3.33Å; T194-A196 PolarHBondContact O-N 3.5Å; A196-A200 WeakPolarHBondContact O-CB 3.33Å; A196-A200 PolarHBondContact O-N 2.91Å; A196-F216 HydrophobicContact CB-CE1 4.31Å
197V89.4Confident87.2Confident14 Ų1430.1 Ų30.19%0.08516%0.16CC..Hα-helixtrans-62.8-46.3175.2173.20000111.2Y193 T194 L199 A200 F201 F216Y193-V197 HydrophobicContact CD1-CG2 4.3Å; Y193-V197 HydrophobicContact CD2-CG2 4.31Å; Y193-V197 HydrophobicContact CE1-CG2 3.87Å; Y193-V197 HydrophobicContact CE2-CG2 3.9Å; Y193-V197 WeakPolarHBondContact O-CG2 3.32Å; Y193-V197 PolarHBondContact O-N 3.47Å; T194-V197 PolarHBondContact O-N 3.33Å; V197-L199 PolarHBondContact O-N 3.17Å; V197-A200 WeakPolarHBondContact O-CB 3.48Å; V197-A200 PolarHBondContact O-N 3.42Å; V197-F201 HydrophobicContact CG1-CD2 4.18Å; V197-F201 HydrophobicContact CG1-CE1 4.22Å; V197-F201 HydrophobicContact CG1-CE2 3.73Å; V197-F201 HydrophobicContact CG1-CZ 3.72Å; V197-F201 PolarHBondContact O-N 2.99Å; V197-F216 HydrophobicContact CB-CD1 4.49Å; V197-F216 HydrophobicContact CG2-CB 4.13Å; V197-F216 HydrophobicContact CG2-CD1 3.4Å; V197-F216 VanDerWaalsContact CG2-CD1 3.4Å; V197-F216 HydrophobicContact CG2-CE1 3.83Å; V197-F216 HydrophobicContact CG2-CG 3.8Å
198I88.5Confident86.3Confident61 Ų6132 Ų3231%0.31317%0.167SC..Hα-helixtrans-61.3-48.4179.7-68.7166.7000110.6T194 I195 A200 F201 E202T194-I198 HydrophobicContact CG2-CD1 4.01Å; T194-I198 VanDerWaalsContact O-CG1 3.3Å; T194-I198 WeakPolarHBondContact O-CG1 3.19Å; T194-I198 PolarHBondContact O-N 3.16Å; I195-I198 PolarHBondContact O-N 3.44Å; I198-A200 VanDerWaalsContact C-N 3.28Å; I198-A200 PolarHBondContact O-N 2.66Å; I198-F201 PolarHBondContact O-N 2.97Å; I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.35Å; I198-E202 WeakPolarHBondContact O-CG 3.45Å; I198-E202 PolarHBondContact O-N 3.01Å
199L90.4Very high85.6Confident0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-60.2-40.7178.6-177.561.4000110.8L16 R151 L155 I195 V197 E202 F203 I258L16-L199 HydrophobicContact CD1-CD2 4.21Å; L16-L199 HydrophobicContact CD2-CB 3.95Å; L16-L199 HydrophobicContact CD2-CD2 4.07Å; L16-L199 HydrophobicContact CD2-CG 3.92Å; R151-L199 HydrophobicContact CB-CB 4.45Å; R151-L199 HydrophobicContact CB-CD1 3.92Å; L155-L199 HydrophobicContact CD2-CD2 4.2Å; I195-L199 VanDerWaalsContact O-CB 3.31Å; I195-L199 WeakPolarHBondContact O-CB 3.42Å; I195-L199 PolarHBondContact O-N 2.88Å; V197-L199 PolarHBondContact O-N 3.17Å; L199-E202 PolarHBondContact O-N 3.44Å; L199-F203 HydrophobicContact CD1-CD2 4.27Å; L199-F203 HydrophobicContact CD1-CE2 3.62Å; L199-F203 HydrophobicContact CG-CD2 4.42Å; L199-F203 HydrophobicContact CG-CE2 4.06Å; L199-F203 WeakPolarHBondContact O-CD2 3.18Å; L199-F203 PolarHBondContact O-N 2.93Å; L199-I258 HydrophobicContact CD2-CG2 3.84Å
200A89Confident84.8Confident1 Ų138.7 Ų38.71%0.00820%0.196CC..Hα-helixtrans-60.5-46.2174.900000112.5L13 L16 A196 V197 I198 E202 F203 V204 T212 F216L13-A200 HydrophobicContact CD2-CB 3.64Å; L16-A200 HydrophobicContact CD2-CB 3.83Å; A196-A200 WeakPolarHBondContact O-CB 3.33Å; A196-A200 PolarHBondContact O-N 2.91Å; V197-A200 WeakPolarHBondContact O-CB 3.48Å; V197-A200 PolarHBondContact O-N 3.42Å; I198-A200 VanDerWaalsContact C-N 3.28Å; I198-A200 PolarHBondContact O-N 2.66Å; A200-E202 VanDerWaalsContact C-N 3.26Å; A200-E202 PolarHBondContact O-N 3.18Å; A200-F203 PolarHBondContact O-N 2.86Å; A200-F203 VanDerWaalsContact O-N 3.17Å; A200-V204 VanDerWaalsContact O-CG2 3.32Å; A200-V204 WeakPolarHBondContact O-CG2 3.38Å; A200-V204 PolarHBondContact O-N 2.97Å; A200-T212 HydrophobicContact CB-CG2 4.28Å; A200-F216 HydrophobicContact CB-CE2 3.43Å; A200-F216 VanDerWaalsContact CB-CE2 3.43Å; A200-F216 HydrophobicContact CB-CZ 3.55Å
201F85Confident84.1Confident48 Ų4845.2 Ų45.221%0.21122%0.217CC..Hα-helixtrans-65.6-27.8178.5-72.5-7.8000113.5V197 I198 F203 V204 R209 T212 N213V197-F201 HydrophobicContact CG1-CD2 4.18Å; V197-F201 HydrophobicContact CG1-CE1 4.22Å; V197-F201 HydrophobicContact CG1-CE2 3.73Å; V197-F201 HydrophobicContact CG1-CZ 3.72Å; V197-F201 PolarHBondContact O-N 2.99Å; I198-F201 PolarHBondContact O-N 2.97Å; F201-F203 PolarHBondContact O-N 3.13Å; F201-V204 PolarHBondContact O-N 3.42Å; F201-V204 VanDerWaalsContact O-O 3.08Å; F201-R209 WeakPolarHBondContact CE1-O 3.48Å; F201-T212 HydrophobicContact CD1-CG2 3.93Å; F201-T212 HydrophobicContact CE1-CG2 3.8Å; F201-N213 HydrophobicContact CE1-CB 4.2Å; F201-N213 HydrophobicContact CZ-CB 3.71Å
202E86.1Confident83.7Confident30 Ų3045 Ų4514%0.1422%0.216CC..Hα-helixtrans-73.7-17.9177.4-69.6170.3170.700112.7R151 I198 L199 A200 S261 R263R151-E202 IonicContact NE-OE1 2.65Å; R151-E202 PolarHBondContact NE-OE1 3.21Å; I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact CG2-OE1 3.35Å; I198-E202 WeakPolarHBondContact O-CG 3.45Å; I198-E202 PolarHBondContact O-N 3.01Å; L199-E202 PolarHBondContact O-N 3.44Å; A200-E202 VanDerWaalsContact C-N 3.26Å; A200-E202 PolarHBondContact O-N 3.18Å; E202-S261 WeakPolarHBondContact CB-OG 3.39Å; E202-S261 WeakPolarHBondContact OE2-CB 3.13Å; E202-S261 PolarHBondContact OE2-OG 2.98Å; E202-R263 HydrophobicContact CG-CB 4.44Å
203F83Confident83.1Confident17 Ų1748.5 Ų48.58%0.07523%0.234CC..Hα-helixtrans-94.9-8.1172.1-75.3-70.6000114.6Q9 L12 L199 A200 F201 P259 E260 P262 T277Q9-F203 PolarHBondContact NE2-O 3.36Å; L12-F203 HydrophobicContact CD2-CB 4.23Å; L12-F203 HydrophobicContact CD2-CD1 3.95Å; L12-F203 HydrophobicContact CD2-CD2 3.82Å; L12-F203 HydrophobicContact CD2-CE1 4.29Å; L12-F203 HydrophobicContact CD2-CE2 4.18Å; L12-F203 HydrophobicContact CD2-CG 3.73Å; L12-F203 HydrophobicContact CD2-CZ 4.42Å; L199-F203 HydrophobicContact CD1-CD2 4.27Å; L199-F203 HydrophobicContact CD1-CE2 3.62Å; L199-F203 HydrophobicContact CG-CD2 4.42Å; L199-F203 HydrophobicContact CG-CE2 4.06Å; L199-F203 WeakPolarHBondContact O-CD2 3.18Å; L199-F203 PolarHBondContact O-N 2.93Å; A200-F203 PolarHBondContact O-N 2.86Å; A200-F203 VanDerWaalsContact O-N 3.17Å; F201-F203 PolarHBondContact O-N 3.13Å; F203-P259 HydrophobicContact CE1-CG 3.89Å; F203-P259 HydrophobicContact CZ-CB 4.2Å; F203-P259 HydrophobicContact CZ-CG 3.63Å; F203-E260 WeakPolarHBondContact CZ-O 3.46Å; F203-P262 HydrophobicContact CD1-CG 4.49Å; F203-P262 HydrophobicContact CE1-CG 4.27Å; F203-T277 HydrophobicContact CE1-CG2 4.34Å
204V81.8Confident82.6Confident6 Ų647.9 Ų47.94%0.03624%0.236CC..SBendtrans-111.4140.6-174.4177.40000110.5L13 A200 F201L13-V204 HydrophobicContact CD1-CG2 3.86Å; L13-V204 HydrophobicContact CD2-CG2 3.82Å; L13-V204 HydrophobicContact CG-CG2 4.23Å; A200-V204 VanDerWaalsContact O-CG2 3.32Å; A200-V204 WeakPolarHBondContact O-CG2 3.38Å; A200-V204 PolarHBondContact O-N 2.97Å; F201-V204 PolarHBondContact O-N 3.42Å; F201-V204 VanDerWaalsContact O-O 3.08Å
205G73.4Confident82.4Confident16 Ų1647.2 Ų47.217%0.16523%0.23CC..  trans-65.1162.7174.100000112.8D207 Y208 R209G205-D207 PolarHBondContact O-N 3.29Å; G205-Y208 WeakPolarHBondContact O-CB 3.4Å; G205-Y208 PolarHBondContact O-N 2.87Å; G205-Y208 VanDerWaalsContact O-N 3.16Å; G205-R209 PolarHBondContact O-N 2.5Å
206D72.1Confident82.2Confident95 Ų9546.9 Ų46.951%0.50823%0.228SC..G310 helixtrans-67.4-36.2-170.2-67.83.3000113Y208 R209 R263D206-Y208 PolarHBondContact O-N 2.92Å; D206-R209 VanDerWaalsContact CG-NH2 3.31Å; D206-R209 PolarHBondContact O-N 3.37Å; D206-R209 IonicContact OD1-CZ 3.14Å; D206-R209 IonicContact OD1-NE 3.8Å; D206-R209 PolarHBondContact OD1-NE 3.42Å; D206-R209 IonicContact OD1-NH2 3.32Å; D206-R209 PolarHBondContact OD1-NH2 3.13Å; D206-R209 IonicContact OD2-NH2 2.9Å; D206-R209 PolarHBondContact OD2-NH2 3.32Å; D206-R263 IonicContact OD1-NH2 3.7Å; D206-R263 PolarHBondContact OD1-NH2 3.07Å
207D72.4Confident81.8Confident143 Ų14347.7 Ų47.777%0.76524%0.236SC*.G310 helixtrans-60.8-16.8177-55.6-36.5000113.8G205G205-D207 PolarHBondContact O-N 3.29Å
208Y76Confident81.7Confident62 Ų6248 Ų4824%0.24324%0.239CC..G310 helixtrans-115.5-13.6-164-78.1-49.9000112.9G3 W5 G205 D206 I210 R211 T212G3-Y208 VanDerWaalsContact O-CE2 3.24Å; G3-Y208 WeakPolarHBondContact O-CE2 2.98Å; W5-Y208 HydrophobicContact CB-CE1 4.34Å; W5-Y208 HydrophobicContact CB-CE2 4.13Å; W5-Y208 HydrophobicContact CD2-CD1 4.11Å; W5-Y208 HydrophobicContact CD2-CE1 4.13Å; W5-Y208 HydrophobicContact CD2-CG 4.4Å; W5-Y208 AromaticContact CE3-CD1 2.98Å; W5-Y208 HydrophobicContact CE3-CD1 2.98Å; W5-Y208 AromaticContact CE3-CD2 3.73Å; W5-Y208 HydrophobicContact CE3-CD2 3.73Å; W5-Y208 AromaticContact CE3-CE1 3.39Å; W5-Y208 HydrophobicContact CE3-CE1 3.39Å; W5-Y208 HydrophobicContact CE3-CE2 4.1Å; W5-Y208 AromaticContact CE3-CG 3.14Å; W5-Y208 HydrophobicContact CE3-CG 3.14Å; W5-Y208 AromaticContact CE3-CZ 3.93Å; W5-Y208 HydrophobicContact CH2-CD1 4.4Å; W5-Y208 AromaticContact CZ3-CD1 3.14Å; W5-Y208 HydrophobicContact CZ3-CD1 3.14Å; W5-Y208 HydrophobicContact CZ3-CD2 4.36Å; W5-Y208 AromaticContact CZ3-CE1 3.95Å; W5-Y208 HydrophobicContact CZ3-CE1 3.95Å; W5-Y208 AromaticContact CZ3-CG 3.37Å; W5-Y208 HydrophobicContact CZ3-CG 3.37Å; G205-Y208 WeakPolarHBondContact O-CB 3.4Å; G205-Y208 PolarHBondContact O-N 2.87Å; G205-Y208 VanDerWaalsContact O-N 3.16Å; D206-Y208 PolarHBondContact O-N 2.92Å; Y208-I210 PolarHBondContact O-N 3.38Å; Y208-R211 PolarHBondContact O-N 2.98Å; Y208-R211 VanDerWaalsContact O-N 3.15Å; Y208-T212 PolarHBondContact O-N 3.37Å; Y208-T212 PolarHBondContact O-OG1 3.08Å
209R78.8Confident81.9Confident88 Ų8847.3 Ų47.333%0.33224%0.235SC..Hα-helixtrans-54.5-39.1177.7-67.1-179.1-173.2-169.87.3112.7F201 G205 D206 T212 N213F201-R209 WeakPolarHBondContact CE1-O 3.48Å; G205-R209 PolarHBondContact O-N 2.5Å; D206-R209 VanDerWaalsContact CG-NH2 3.31Å; D206-R209 PolarHBondContact O-N 3.37Å; D206-R209 IonicContact OD1-CZ 3.14Å; D206-R209 IonicContact OD1-NE 3.8Å; D206-R209 PolarHBondContact OD1-NE 3.42Å; D206-R209 IonicContact OD1-NH2 3.32Å; D206-R209 PolarHBondContact OD1-NH2 3.13Å; D206-R209 IonicContact OD2-NH2 2.9Å; D206-R209 PolarHBondContact OD2-NH2 3.32Å; R209-T212 PolarHBondContact O-N 3.33Å; R209-N213 WeakPolarHBondContact O-CB 3.35Å; R209-N213 PolarHBondContact O-N 3.2Å
210I74.4Confident81.9Confident80 Ų8048.9 Ų48.941%0.4124%0.241SC..Hα-helixtrans-63.9-48.6-179.4-61.2179.6000110.5Y208 T212 N213 T214 W374Y208-I210 PolarHBondContact O-N 3.38Å; I210-T212 VanDerWaalsContact C-N 3.29Å; I210-T212 PolarHBondContact O-N 3.39Å; I210-N213 WeakPolarHBondContact O-CB 3.42Å; I210-N213 PolarHBondContact O-N 3.43Å; I210-N213 VanDerWaalsContact O-N 3.15Å; I210-T214 PolarHBondContact O-N 2.93Å; I210-T214 PolarHBondContact O-OG1 3.38Å; I210-W374 HydrophobicContact CB-CH2 4.41Å; I210-W374 HydrophobicContact CB-CZ3 4.28Å; I210-W374 HydrophobicContact CD1-CH2 3.41Å; I210-W374 VanDerWaalsContact CD1-CH2 3.41Å; I210-W374 HydrophobicContact CD1-CZ3 3.67Å; I210-W374 HydrophobicContact CG1-CH2 4.4Å; I210-W374 HydrophobicContact CG1-CZ3 4.32Å; I210-W374 HydrophobicContact CG2-CD2 4.31Å; I210-W374 HydrophobicContact CG2-CE3 3.56Å; I210-W374 HydrophobicContact CG2-CH2 3.54Å; I210-W374 HydrophobicContact CG2-CZ2 4.25Å; I210-W374 HydrophobicContact CG2-CZ3 3.14Å
211R76.6Confident82Confident165 Ų16548.8 Ų48.862%0.62324%0.241SC*.Hα-helixtrans-61.4-41.9178.1-64.5-175.5-173.8177.80.7110.9W5 Y208 T214 L215W5-R211 HydrophobicContact CH2-CB 3.95Å; W5-R211 HydrophobicContact CZ3-CB 4.29Å; Y208-R211 PolarHBondContact O-N 2.98Å; Y208-R211 VanDerWaalsContact O-N 3.15Å; R211-T214 PolarHBondContact O-N 3.31Å; R211-L215 WeakPolarHBondContact O-CB 3.25Å; R211-L215 PolarHBondContact O-N 3.46Å
212T82.2Confident82.4Confident1 Ų148.7 Ų48.71%0.00625%0.249CC..Hα-helixtrans-62.8-42.5175.1-54.70000111.2L13 A200 F201 Y208 R209 I210 L215 F216L13-T212 HydrophobicContact CD2-CG2 3.82Å; A200-T212 HydrophobicContact CB-CG2 4.28Å; F201-T212 HydrophobicContact CD1-CG2 3.93Å; F201-T212 HydrophobicContact CE1-CG2 3.8Å; Y208-T212 PolarHBondContact O-N 3.37Å; Y208-T212 PolarHBondContact O-OG1 3.08Å; R209-T212 PolarHBondContact O-N 3.33Å; I210-T212 VanDerWaalsContact C-N 3.29Å; I210-T212 PolarHBondContact O-N 3.39Å; T212-L215 WeakPolarHBondContact O-CB 3.41Å; T212-L215 PolarHBondContact O-N 2.81Å; T212-F216 HydrophobicContact CG2-CD2 3.85Å; T212-F216 HydrophobicContact CG2-CE2 3.83Å; T212-F216 WeakPolarHBondContact O-CD2 3.45Å; T212-F216 PolarHBondContact O-N 3.28Å
213N80.7Confident82.8Confident73 Ų7347.5 Ų47.539%0.3924%0.244SC..Hα-helixtrans-60.5-48.2177-16665.1000111.8F201 R209 I210 L215 F216 G217F201-N213 HydrophobicContact CE1-CB 4.2Å; F201-N213 HydrophobicContact CZ-CB 3.71Å; R209-N213 WeakPolarHBondContact O-CB 3.35Å; R209-N213 PolarHBondContact O-N 3.2Å; I210-N213 WeakPolarHBondContact O-CB 3.42Å; I210-N213 PolarHBondContact O-N 3.43Å; I210-N213 VanDerWaalsContact O-N 3.15Å; N213-L215 VanDerWaalsContact C-N 3.27Å; N213-L215 PolarHBondContact O-N 3.47Å; N213-F216 PolarHBondContact O-N 3.06Å; N213-G217 PolarHBondContact O-N 2.77Å
214T81.2Confident83.2Confident35 Ų3546.7 Ų46.722%0.21524%0.24CC..Hα-helixtrans-61.3-37.7177.3-54.90000111.6I210 R211 G217 S218 L371I210-T214 PolarHBondContact O-N 2.93Å; I210-T214 PolarHBondContact O-OG1 3.38Å; R211-T214 PolarHBondContact O-N 3.31Å; T214-G217 PolarHBondContact O-N 3.36Å; T214-S218 WeakPolarHBondContact O-CB 3.37Å; T214-S218 PolarHBondContact O-N 2.85Å; T214-S218 PolarHBondContact O-OG 3Å; T214-L371 HydrophobicContact CG2-CD2 4.22Å
215L85.3Confident83.8Confident50 Ų5047.7 Ų47.726%0.26225%0.247SC..Hα-helixtrans-62.3-48.2174177.765.1000111.5W10 R211 T212 N213 S218 L219W10-L215 HydrophobicContact CZ3-CD2 4.16Å; R211-L215 WeakPolarHBondContact O-CB 3.25Å; R211-L215 PolarHBondContact O-N 3.46Å; T212-L215 WeakPolarHBondContact O-CB 3.41Å; T212-L215 PolarHBondContact O-N 2.81Å; N213-L215 VanDerWaalsContact C-N 3.27Å; N213-L215 PolarHBondContact O-N 3.47Å; L215-S218 PolarHBondContact O-N 3.32Å; L215-L219 HydrophobicContact CD1-CD1 3.95Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.92Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 2.87Å
216F87.8Confident84.9Confident0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-62.7-42177.2-91.3-93.2000112.3L16 A17 Y193 A196 V197 A200 T212 N213 L219 Y220L16-F216 HydrophobicContact CG-CZ 4.43Å; A17-F216 VanDerWaalsContact CA-CE1 3.5Å; A17-F216 HydrophobicContact CB-CD1 4.1Å; A17-F216 HydrophobicContact CB-CD2 4.18Å; A17-F216 HydrophobicContact CB-CE1 3.69Å; A17-F216 HydrophobicContact CB-CE2 3.75Å; A17-F216 HydrophobicContact CB-CG 4.35Å; A17-F216 HydrophobicContact CB-CZ 3.49Å; A17-F216 VanDerWaalsContact CB-CZ 3.49Å; Y193-F216 HydrophobicContact CE2-CB 4.42Å; Y193-F216 HydrophobicContact CE2-CD1 4.1Å; A196-F216 HydrophobicContact CB-CE1 4.31Å; V197-F216 HydrophobicContact CB-CD1 4.49Å; V197-F216 HydrophobicContact CG2-CB 4.13Å; V197-F216 HydrophobicContact CG2-CD1 3.4Å; V197-F216 VanDerWaalsContact CG2-CD1 3.4Å; V197-F216 HydrophobicContact CG2-CE1 3.83Å; V197-F216 HydrophobicContact CG2-CG 3.8Å; A200-F216 HydrophobicContact CB-CE2 3.43Å; A200-F216 VanDerWaalsContact CB-CE2 3.43Å; A200-F216 HydrophobicContact CB-CZ 3.55Å; T212-F216 HydrophobicContact CG2-CD2 3.85Å; T212-F216 HydrophobicContact CG2-CE2 3.83Å; T212-F216 WeakPolarHBondContact O-CD2 3.45Å; T212-F216 PolarHBondContact O-N 3.28Å; N213-F216 PolarHBondContact O-N 3.06Å; F216-L219 PolarHBondContact O-N 3.41Å; F216-Y220 VanDerWaalsContact O-CB 3.32Å; F216-Y220 WeakPolarHBondContact O-CB 3.23Å; F216-Y220 PolarHBondContact O-N 2.94Å
217G84.7Confident86Confident16 Ų1644 Ų4417%0.16523%0.228CC..Hα-helixtrans-61.9-44.6175.300000112.2N213 T214 L219 Y220 G221N213-G217 PolarHBondContact O-N 2.77Å; T214-G217 PolarHBondContact O-N 3.36Å; G217-L219 PolarHBondContact O-N 3.41Å; G217-Y220 WeakPolarHBondContact O-CB 3.36Å; G217-Y220 PolarHBondContact O-N 2.9Å; G217-G221 PolarHBondContact O-N 2.91Å
218S86.7Confident87Confident21 Ų2137.2 Ų37.215%0.14719%0.192CC..Hα-helixtrans-65.4-41.4177.6-560000112T214 L215 Y220 G221 A222T214-S218 WeakPolarHBondContact O-CB 3.37Å; T214-S218 PolarHBondContact O-N 2.85Å; T214-S218 PolarHBondContact O-OG 3Å; L215-S218 PolarHBondContact O-N 3.32Å; S218-Y220 VanDerWaalsContact C-N 3.33Å; S218-G221 PolarHBondContact O-N 3.04Å; S218-A222 WeakPolarHBondContact O-CB 3.43Å; S218-A222 PolarHBondContact O-N 3.39Å
219L91.3Very high87.9Confident46 Ų4638.3 Ų38.324%0.24120%0.202CC..Hα-helixtrans-68-33.5176.6-74174.2000112.1A17 I18 C21 L215 F216 G217 S223A17-L219 HydrophobicContact CB-CD1 3.55Å; I18-L219 HydrophobicContact CG1-CD1 4.24Å; I18-L219 HydrophobicContact CG1-CD2 4.36Å; C21-L219 HydrophobicContact CB-CB 4.31Å; L215-L219 HydrophobicContact CD1-CD1 3.95Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 3.92Å; L215-L219 HydrophobicContact CG-CG 4.46Å; L215-L219 WeakPolarHBondContact O-CB 3.42Å; L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 2.87Å; F216-L219 PolarHBondContact O-N 3.41Å; G217-L219 PolarHBondContact O-N 3.41Å; L219-S223 VanDerWaalsContact O-CB 3.27Å; L219-S223 WeakPolarHBondContact O-CB 3.44Å; L219-S223 PolarHBondContact O-N 3.02Å; L219-S223 PolarHBondContact O-OG 3.38Å
220Y91Very high88.7Confident33 Ų3335.9 Ų35.913%0.12920%0.196CC..Hα-helixtrans-63.6-50.1173.4-169.2-99.4000110.9F29 Y193 F216 G217 S218 A222 S223 M224F29-Y220 AromaticContact CE2-CE1 3.9Å; F29-Y220 HydrophobicContact CE2-CE1 3.9Å; F29-Y220 AromaticContact CE2-CZ 3.7Å; F29-Y220 WeakPolarHBondContact CE2-OH 3.36Å; F29-Y220 HydrophobicContact CZ-CE1 4.3Å; F29-Y220 WeakPolarHBondContact CZ-OH 3.47Å; Y193-Y220 AromaticContact CD2-CD2 3.71Å; Y193-Y220 HydrophobicContact CD2-CD2 3.71Å; Y193-Y220 HydrophobicContact CD2-CE2 4.22Å; Y193-Y220 AromaticContact CE2-CD2 3.78Å; Y193-Y220 HydrophobicContact CE2-CD2 3.78Å; Y193-Y220 HydrophobicContact CE2-CG 4.21Å; Y193-Y220 HydrophobicContact CG-CD2 4.3Å; Y193-Y220 HydrophobicContact CG-CE2 4.37Å; F216-Y220 VanDerWaalsContact O-CB 3.32Å; F216-Y220 WeakPolarHBondContact O-CB 3.23Å; F216-Y220 PolarHBondContact O-N 2.94Å; G217-Y220 WeakPolarHBondContact O-CB 3.36Å; G217-Y220 PolarHBondContact O-N 2.9Å; S218-Y220 VanDerWaalsContact C-N 3.33Å; Y220-A222 PolarHBondContact O-N 3.5Å; Y220-S223 WeakPolarHBondContact CA-OG 3.47Å; Y220-S223 WeakPolarHBondContact O-CB 3.32Å; Y220-S223 PolarHBondContact O-N 2.97Å; Y220-S223 VanDerWaalsContact O-N 3.08Å; Y220-S223 PolarHBondContact O-OG 3.25Å; Y220-M224 HydrophobicContact CD1-SD 4.06Å; Y220-M224 HydrophobicContact CE1-CG 4.39Å; Y220-M224 HydrophobicContact CE1-SD 3.73Å; Y220-M224 PolarHBondContact O-N 3.29Å
221G91Very high89.7Confident0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-59-44.9174.200000113.6G217 S218 S223 M224 C225 G363 E366G217-G221 PolarHBondContact O-N 2.91Å; S218-G221 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact C-N 3.28Å; G221-S223 PolarHBondContact O-N 3.18Å; G221-M224 WeakPolarHBondContact O-CB 3.29Å; G221-M224 PolarHBondContact O-N 2.97Å; G221-C225 PolarHBondContact O-N 3.35Å; G221-G363 CarbonylContact C-O 3.49Å; G221-G363 CarbonylContact O-C 3.54Å; G221-E366 WeakPolarHBondContact CA-OE2 3.29Å; G221-E366 PolarHBondContact N-OE2 3.3Å
222A93.1Very high90.5Very high45 Ų4526.3 Ų26.337%0.37216%0.158SC..Hα-helixtrans-61-37.5174.400000112.1S218 Y220 C225 A226S218-A222 WeakPolarHBondContact O-CB 3.43Å; S218-A222 PolarHBondContact O-N 3.39Å; Y220-A222 PolarHBondContact O-N 3.5Å; A222-C225 PolarHBondContact O-N 3.17Å; A222-A226 WeakPolarHBondContact O-CB 3.13Å; A222-A226 PolarHBondContact O-N 2.78Å
223S94.5Very high91Very high5 Ų535.2 Ų35.24%0.03519%0.193CC..Hα-helixtrans-67.9-36176.974.80000112.6C21 S25 W26 L219 Y220 G221 A226 L227C21-S223 PolarHBondContact O-OG 3.36Å; S25-S223 WeakPolarHBondContact CB-OG 3.46Å; S25-S223 WeakPolarHBondContact OG-CB 3.3Å; S25-S223 PolarHBondContact OG-OG 3.42Å; W26-S223 PolarHBondContact NE1-O 2.97Å; L219-S223 VanDerWaalsContact O-CB 3.27Å; L219-S223 WeakPolarHBondContact O-CB 3.44Å; L219-S223 PolarHBondContact O-N 3.02Å; L219-S223 PolarHBondContact O-OG 3.38Å; Y220-S223 WeakPolarHBondContact CA-OG 3.47Å; Y220-S223 WeakPolarHBondContact O-CB 3.32Å; Y220-S223 PolarHBondContact O-N 2.97Å; Y220-S223 VanDerWaalsContact O-N 3.08Å; Y220-S223 PolarHBondContact O-OG 3.25Å; G221-S223 VanDerWaalsContact C-N 3.28Å; G221-S223 PolarHBondContact O-N 3.18Å; S223-A226 PolarHBondContact O-N 3.41Å; S223-L227 PolarHBondContact O-N 3.5Å
224M92.6Very high91.7Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-66.1-44.6171.4-68.9179.865.800111.3F29 Y220 G221 A226 L227 G228 L345 F359F29-M224 HydrophobicContact CD2-CE 3.94Å; F29-M224 HydrophobicContact CD2-CG 3.69Å; F29-M224 HydrophobicContact CD2-SD 4.03Å; F29-M224 HydrophobicContact CE1-CE 4.34Å; F29-M224 HydrophobicContact CE2-CE 3.58Å; F29-M224 HydrophobicContact CE2-CG 3.57Å; F29-M224 HydrophobicContact CE2-SD 3.37Å; F29-M224 WeakPolarHBondContact CE2-SD 3.22Å; F29-M224 HydrophobicContact CG-CE 4.44Å; F29-M224 HydrophobicContact CZ-CE 3.8Å; F29-M224 HydrophobicContact CZ-SD 3.93Å; Y220-M224 HydrophobicContact CD1-SD 4.06Å; Y220-M224 HydrophobicContact CE1-CG 4.39Å; Y220-M224 HydrophobicContact CE1-SD 3.73Å; Y220-M224 PolarHBondContact O-N 3.29Å; G221-M224 WeakPolarHBondContact O-CB 3.29Å; G221-M224 PolarHBondContact O-N 2.97Å; M224-A226 VanDerWaalsContact C-N 3.31Å; M224-A226 PolarHBondContact O-N 2.94Å; M224-L227 WeakPolarHBondContact O-CB 3.35Å; M224-L227 PolarHBondContact O-N 3.43Å; M224-L227 VanDerWaalsContact O-N 3.15Å; M224-G228 PolarHBondContact O-N 3.47Å; M224-G228 VanDerWaalsContact O-N 3.09Å; M224-L345 HydrophobicContact CE-CD1 3.82Å; M224-L345 HydrophobicContact CE-CD2 4.14Å; M224-F359 HydrophobicContact CB-CE1 4.28Å; M224-F359 HydrophobicContact CE-CZ 4.07Å; M224-F359 VanDerWaalsContact O-CE1 3.29Å; M224-F359 WeakPolarHBondContact O-CE1 3.43Å
225C94.4Very high92.3Very high28 Ų2835 Ų3519%0.18919%0.186CC..Hα-helixtrans-58.1-46.6175.5-176.40000111.2G221 A222 L227 G228 I229 A360G221-C225 PolarHBondContact O-N 3.35Å; A222-C225 PolarHBondContact O-N 3.17Å; C225-L227 VanDerWaalsContact C-N 3.31Å; C225-L227 PolarHBondContact O-N 2.87Å; C225-G228 PolarHBondContact O-N 3.45Å; C225-I229 WeakPolarHBondContact O-CG1 3.35Å; C225-I229 PolarHBondContact O-N 3.49Å; C225-I229 VanDerWaalsContact O-N 3.1Å; C225-A360 PolarHBondContact SG-O 3.1Å
226A95.8Very high92.8Very high32 Ų3234 Ų3426%0.26418%0.182SC..Hα-helixtrans-59.3-39.917600000112.4W26 A222 S223 M224 I229 V230W26-A226 HydrophobicContact CZ2-CB 4.18Å; A222-A226 WeakPolarHBondContact O-CB 3.13Å; A222-A226 PolarHBondContact O-N 2.78Å; S223-A226 PolarHBondContact O-N 3.41Å; M224-A226 VanDerWaalsContact C-N 3.31Å; M224-A226 PolarHBondContact O-N 2.94Å; A226-I229 PolarHBondContact O-N 3Å; A226-V230 WeakPolarHBondContact O-CB 3.27Å; A226-V230 VanDerWaalsContact O-CG2 3.27Å; A226-V230 WeakPolarHBondContact O-CG2 3.15Å; A226-V230 PolarHBondContact O-N 3.24Å
227L95.3Very high93.1Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-60.3-46175.3-179.965.7000111.7W26 F29 F33 S223 M224 C225 I229 V230 A231 C244 F359W26-L227 HydrophobicContact CB-CD1 4.3Å; W26-L227 HydrophobicContact CD2-CD1 4.26Å; W26-L227 HydrophobicContact CG-CB 4.45Å; W26-L227 HydrophobicContact CG-CD1 4.01Å; F29-L227 HydrophobicContact CB-CD2 3.58Å; F33-L227 HydrophobicContact CE2-CD2 4.31Å; F33-L227 HydrophobicContact CE2-CG 4.19Å; S223-L227 PolarHBondContact O-N 3.5Å; M224-L227 WeakPolarHBondContact O-CB 3.35Å; M224-L227 PolarHBondContact O-N 3.43Å; M224-L227 VanDerWaalsContact O-N 3.15Å; C225-L227 VanDerWaalsContact C-N 3.31Å; C225-L227 PolarHBondContact O-N 2.87Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.46Å; L227-V230 PolarHBondContact O-N 3.29Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.31Å; L227-A231 PolarHBondContact O-N 3.01Å; L227-C244 VanDerWaalsContact CD1-SG 3.59Å; L227-F359 HydrophobicContact CB-CE1 4.24Å; L227-F359 HydrophobicContact CD2-CE1 3.98Å; L227-F359 HydrophobicContact CD2-CZ 4.12Å; L227-F359 HydrophobicContact CG-CE1 4.35Å
228G93.9Very high93.7Very high1 Ų136.1 Ų36.11%0.0119%0.185CC..Hα-helixtrans-60.4-41.5178.300000112.4M224 C225 N232M224-G228 PolarHBondContact O-N 3.47Å; M224-G228 VanDerWaalsContact O-N 3.09Å; C225-G228 PolarHBondContact O-N 3.45Å; G228-N232 PolarHBondContact O-N 3.34Å; G228-N232 VanDerWaalsContact O-N 3.17Å
229I95.4Very high94.1Very high86 Ų8640 Ų4044%0.44120%0.203SC..Hα-helixtrans-65-48.8176.1-63.5167.3000110.7C225 A226 L227 A231 N232 Y233 A360C225-I229 WeakPolarHBondContact O-CG1 3.35Å; C225-I229 PolarHBondContact O-N 3.49Å; C225-I229 VanDerWaalsContact O-N 3.1Å; A226-I229 PolarHBondContact O-N 3Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.46Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.03Å; I229-N232 WeakPolarHBondContact O-CB 3.24Å; I229-N232 PolarHBondContact O-N 3.49Å; I229-Y233 HydrophobicContact CG2-CD2 4.23Å; I229-Y233 HydrophobicContact CG2-CE2 3.89Å; I229-Y233 WeakPolarHBondContact O-CD2 3.43Å; I229-Y233 PolarHBondContact O-N 2.96Å; I229-A360 HydrophobicContact CG1-CB 4.29Å
230V95.7Very high94.4Very high37 Ų3738 Ų3822%0.22419%0.193CC..Hα-helixtrans-62-42.4179.7169.90000111W26 A226 L227 N232 Y233 V234 T243W26-V230 HydrophobicContact CH2-CG2 4.11Å; W26-V230 HydrophobicContact CZ2-CG2 4.35Å; A226-V230 WeakPolarHBondContact O-CB 3.27Å; A226-V230 VanDerWaalsContact O-CG2 3.27Å; A226-V230 WeakPolarHBondContact O-CG2 3.15Å; A226-V230 PolarHBondContact O-N 3.24Å; L227-V230 PolarHBondContact O-N 3.29Å; V230-N232 VanDerWaalsContact C-N 3.26Å; V230-N232 PolarHBondContact O-N 2.85Å; V230-Y233 PolarHBondContact O-N 3.45Å; V230-Y233 VanDerWaalsContact O-N 3.08Å; V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 PolarHBondContact O-N 2.89Å; V230-T243 HydrophobicContact CG1-CG2 3.73Å
231A94.1Very high94.6Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-62.8-30.5177.600000112.7F33 L227 I229 Y233 V234 L240 Y356F33-A231 HydrophobicContact CD1-CB 4.28Å; F33-A231 HydrophobicContact CD2-CB 3.8Å; F33-A231 HydrophobicContact CE1-CB 4.33Å; F33-A231 HydrophobicContact CE2-CB 3.84Å; F33-A231 HydrophobicContact CG-CB 4.01Å; F33-A231 HydrophobicContact CZ-CB 4.09Å; L227-A231 VanDerWaalsContact O-CB 3.22Å; L227-A231 WeakPolarHBondContact O-CB 3.31Å; L227-A231 PolarHBondContact O-N 3.01Å; I229-A231 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.03Å; A231-Y233 VanDerWaalsContact C-N 3.3Å; A231-Y233 PolarHBondContact O-N 3.45Å; A231-V234 CarbonylContact O-C 3.53Å; A231-L240 HydrophobicContact CB-CD1 4.03Å; A231-L240 HydrophobicContact CB-CD2 4.24Å; A231-Y356 VanDerWaalsContact C-CD1 3.48Å; A231-Y356 VanDerWaalsContact C-CE1 3.46Å; A231-Y356 HydrophobicContact CB-CD1 3.63Å; A231-Y356 HydrophobicContact CB-CE1 3.78Å; A231-Y356 WeakPolarHBondContact O-CE1 3.29Å
232N93.2Very high94.9Very high43 Ų4339 Ų3923%0.2320%0.202CC..Hα-helixtrans-66.2-32.2173.9-173.337.5000113G228 I229 V230 R235 Y356G228-N232 PolarHBondContact O-N 3.34Å; G228-N232 VanDerWaalsContact O-N 3.17Å; I229-N232 WeakPolarHBondContact O-CB 3.24Å; I229-N232 PolarHBondContact O-N 3.49Å; V230-N232 VanDerWaalsContact C-N 3.26Å; V230-N232 PolarHBondContact O-N 2.85Å; N232-R235 WeakPolarHBondContact O-CG 3.3Å; N232-R235 PolarHBondContact O-NE 3.2Å; N232-R235 PolarHBondContact OD1-NH2 2.95Å; N232-Y356 HydrophobicContact CB-CD1 4.4Å; N232-Y356 HydrophobicContact CB-CD2 4.02Å; N232-Y356 HydrophobicContact CB-CG 3.81Å; N232-Y356 WeakPolarHBondContact OD1-CD2 3.3Å
233Y94.5Very high95Very high188 Ų18838.9 Ų38.974%0.73720%0.197SC*.Hα-helixtrans-88-32.2176.9-69.3-74000112.7I229 V230 A231I229-Y233 HydrophobicContact CG2-CD2 4.23Å; I229-Y233 HydrophobicContact CG2-CE2 3.89Å; I229-Y233 WeakPolarHBondContact O-CD2 3.43Å; I229-Y233 PolarHBondContact O-N 2.96Å; V230-Y233 PolarHBondContact O-N 3.45Å; V230-Y233 VanDerWaalsContact O-N 3.08Å; A231-Y233 VanDerWaalsContact C-N 3.3Å; A231-Y233 PolarHBondContact O-N 3.45Å
234V95.1Very high95.1Very high34 Ų3438.8 Ų38.821%0.20620%0.196CC..  trans-109.979.4179.3-171.40000108.9V230 A231 L239 L240V230-V234 HydrophobicContact CG1-CG2 4.3Å; V230-V234 PolarHBondContact O-N 2.89Å; A231-V234 CarbonylContact O-C 3.53Å; V234-L239 HydrophobicContact CG1-CB 3.6Å; V234-L240 HydrophobicContact CG1-CB 4.26Å
235R93Very high95.2Very high69 Ų6938.9 Ų38.926%0.2620%0.196SC..  trans-83.9-10.2-173.6-59.6177.6176.7-163.5-7.4114.3S104 L105 D107 N232 Y356S104-R235 PolarHBondContact O-NH1 3.38Å; S104-R235 VanDerWaalsContact O-NH1 3.17Å; L105-R235 WeakPolarHBondContact O-CD 3.47Å; D107-R235 HydrophobicContact CB-CB 4.05Å; N232-R235 WeakPolarHBondContact O-CG 3.3Å; N232-R235 PolarHBondContact O-NE 3.2Å; N232-R235 PolarHBondContact OD1-NH2 2.95Å; R235-Y356 HydrophobicContact CG-CE2 4.39Å
236N95.1Very high95.2Very high31 Ų3142.3 Ų42.317%0.16621%0.211CC..BIsolated β-bridgetrans-82.1121.9172.3-174.8-60.3000109.7E108 R238 L239 L240E108-N236 PolarHBondContact OE2-ND2 3.13Å; N236-R238 VanDerWaalsContact C-N 3.3Å; N236-R238 PolarHBondContact O-N 3.35Å; N236-R238 WeakPolarHBondContact OD1-CB 3.3Å; N236-R238 PolarHBondContact OD1-N 3.13Å; N236-L239 HydrophobicContact CB-CB 4.26Å; N236-L239 HydrophobicContact CB-CD1 4.14Å; N236-L239 HydrophobicContact CB-CG 4.29Å; N236-L239 PolarHBondContact O-N 3.24Å; N236-L239 PolarHBondContact OD1-N 2.81Å; N236-L240 WeakPolarHBondContact O-CB 3.04Å; N236-L240 PolarHBondContact O-N 2.85Å
237W94.9Very high95Very high3 Ų341.8 Ų41.81%0.01121%0.205CC..Hα-helixtrans-61.2-32.1-175.775.7-83.8000114.6V34 E108 L110 E113 F178 L241V34-W237 HydrophobicContact CB-CB 4.3Å; V34-W237 HydrophobicContact CG1-CB 4.11Å; V34-W237 HydrophobicContact CG1-CD2 4.19Å; V34-W237 HydrophobicContact CG1-CE3 3.64Å; V34-W237 HydrophobicContact CG1-CG 4.44Å; V34-W237 HydrophobicContact CG1-CZ3 4.45Å; V34-W237 HydrophobicContact CG2-CB 4.11Å; E108-W237 PolarHBondContact O-N 2.87Å; L110-W237 HydrophobicContact CD1-CH2 4.06Å; L110-W237 HydrophobicContact CD1-CZ2 4.11Å; L110-W237 HydrophobicContact CD1-CZ3 4.48Å; E113-W237 VanDerWaalsContact OE2-CE2 3.22Å; E113-W237 WeakPolarHBondContact OE2-CZ2 3.44Å; E113-W237 PolarHBondContact OE2-NE1 3.4Å; F178-W237 HydrophobicContact CD2-CH2 4.21Å; F178-W237 AromaticContact CD2-CZ3 3.84Å; F178-W237 HydrophobicContact CD2-CZ3 3.84Å; F178-W237 HydrophobicContact CE2-CE3 4.22Å; F178-W237 HydrophobicContact CE2-CH2 4.39Å; F178-W237 AromaticContact CE2-CZ3 3.6Å; F178-W237 HydrophobicContact CE2-CZ3 3.6Å; W237-L241 HydrophobicContact CE3-CD1 3.67Å; W237-L241 HydrophobicContact CZ3-CD1 3.72Å; W237-L241 WeakPolarHBondContact O-CG 3.32Å; W237-L241 PolarHBondContact O-N 3.5Å; W237-L241 VanDerWaalsContact O-N 3.11Å
238R96.7Very high94.8Very high56 Ų5641.8 Ų41.821%0.21121%0.205CC..Hα-helixtrans-69-49.5177.7-64.4-179.6171.4-98.43.1110.2E113 S170 A172 N236 L240 L241 V242E113-R238 IonicContact OE1-CZ 3.33Å; E113-R238 VanDerWaalsContact OE1-CZ 3.29Å; E113-R238 IonicContact OE1-NE 2.64Å; E113-R238 PolarHBondContact OE1-NE 3.4Å; E113-R238 VanDerWaalsContact OE1-NE 3.14Å; E113-R238 IonicContact OE1-NH2 2.96Å; E113-R238 PolarHBondContact OE1-NH2 3.31Å; E113-R238 IonicContact OE2-CZ 3.29Å; E113-R238 IonicContact OE2-NE 3.46Å; E113-R238 PolarHBondContact OE2-NE 3.02Å; E113-R238 IonicContact OE2-NH2 3.25Å; S170-R238 WeakPolarHBondContact CB-O 3.44Å; S170-R238 PolarHBondContact O-NH1 3.19Å; A172-R238 PolarHBondContact O-NH1 3.42Å; A172-R238 PolarHBondContact O-NH2 3.47Å; N236-R238 VanDerWaalsContact C-N 3.3Å; N236-R238 PolarHBondContact O-N 3.35Å; N236-R238 WeakPolarHBondContact OD1-CB 3.3Å; N236-R238 PolarHBondContact OD1-N 3.13Å; R238-L240 VanDerWaalsContact C-N 3.3Å; R238-L240 PolarHBondContact O-N 3.31Å; R238-L241 PolarHBondContact O-N 3.32Å; R238-V242 WeakPolarHBondContact O-CG2 3.32Å; R238-V242 PolarHBondContact O-N 3.23Å; R238-V242 VanDerWaalsContact O-N 3.16Å
239L96.6Very high94.8Very high104 Ų10443.9 Ų43.955%0.54522%0.218SC..Hα-helixtrans-62.5-40176-67.4177.7000111.2V234 N236 L241 V242 T243V234-L239 HydrophobicContact CG1-CB 3.6Å; N236-L239 HydrophobicContact CB-CB 4.26Å; N236-L239 HydrophobicContact CB-CD1 4.14Å; N236-L239 HydrophobicContact CB-CG 4.29Å; N236-L239 PolarHBondContact O-N 3.24Å; N236-L239 PolarHBondContact OD1-N 2.81Å; L239-L241 VanDerWaalsContact C-N 3.28Å; L239-L241 PolarHBondContact O-N 2.93Å; L239-V242 WeakPolarHBondContact O-CB 3.3Å; L239-V242 PolarHBondContact O-N 3Å; L239-T243 PolarHBondContact O-N 3.35Å; L239-T243 PolarHBondContact O-OG1 3.36Å
240L96Very high94.7Very high4 Ų445 Ų452%0.02122%0.224CC..Hα-helixtrans-58.4-41.2177.1-177.461000111.5F33 V34 A231 V234 N236 R238 T243 C244F33-L240 HydrophobicContact CB-CD2 3.67Å; F33-L240 HydrophobicContact CD2-CD2 4.35Å; F33-L240 HydrophobicContact CG-CD2 4.35Å; V34-L240 HydrophobicContact CG2-CD2 4.42Å; A231-L240 HydrophobicContact CB-CD1 4.03Å; A231-L240 HydrophobicContact CB-CD2 4.24Å; V234-L240 HydrophobicContact CG1-CB 4.26Å; N236-L240 WeakPolarHBondContact O-CB 3.04Å; N236-L240 PolarHBondContact O-N 2.85Å; R238-L240 VanDerWaalsContact C-N 3.3Å; R238-L240 PolarHBondContact O-N 3.31Å; L240-T243 PolarHBondContact O-N 2.85Å; L240-C244 WeakPolarHBondContact O-CB 3.1Å; L240-C244 PolarHBondContact O-N 3.33Å; L240-C244 PolarHBondContact O-SG 3.33Å
241L96.2Very high94.6Very high4 Ų443.3 Ų43.32%0.02121%0.214CC..Hα-helixtrans-67.6-39.9176.9-77.3171.1000113.5V34 F178 R182 W237 R238 L239 C244 S245V34-L241 HydrophobicContact CG2-CD1 4.34Å; V34-L241 HydrophobicContact CG2-CD2 4.19Å; V34-L241 HydrophobicContact CG2-CG 3.99Å; F178-L241 HydrophobicContact CE2-CD1 4.05Å; R182-L241 VanDerWaalsContact CZ-CD2 3.42Å; R182-L241 VanDerWaalsContact NH2-CD1 3.32Å; W237-L241 HydrophobicContact CE3-CD1 3.67Å; W237-L241 HydrophobicContact CZ3-CD1 3.72Å; W237-L241 WeakPolarHBondContact O-CG 3.32Å; W237-L241 PolarHBondContact O-N 3.5Å; W237-L241 VanDerWaalsContact O-N 3.11Å; R238-L241 PolarHBondContact O-N 3.32Å; L239-L241 VanDerWaalsContact C-N 3.28Å; L239-L241 PolarHBondContact O-N 2.93Å; L241-C244 PolarHBondContact O-N 3.18Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.03Å; L241-S245 PolarHBondContact O-OG 3.43Å
242V96.7Very high94.6Very high50 Ų5046.1 Ų46.130%0.30323%0.228SC..Hα-helixtrans-59.3-50.6172.7175.30000109.2F167 S170 R238 L239 C244 S245 M246F167-V242 HydrophobicContact CD1-CB 4.47Å; F167-V242 HydrophobicContact CD1-CG1 4.27Å; F167-V242 HydrophobicContact CD1-CG2 4.31Å; F167-V242 HydrophobicContact CE1-CB 4.33Å; F167-V242 HydrophobicContact CE1-CG1 3.79Å; S170-V242 WeakPolarHBondContact OG-CG2 3.42Å; R238-V242 WeakPolarHBondContact O-CG2 3.32Å; R238-V242 PolarHBondContact O-N 3.23Å; R238-V242 VanDerWaalsContact O-N 3.16Å; L239-V242 WeakPolarHBondContact O-CB 3.3Å; L239-V242 PolarHBondContact O-N 3Å; V242-C244 VanDerWaalsContact C-N 3.3Å; V242-C244 PolarHBondContact O-N 3.36Å; V242-S245 PolarHBondContact O-N 3.28Å; V242-M246 WeakPolarHBondContact O-CG 3.41Å; V242-M246 PolarHBondContact O-N 2.87Å; V242-M246 VanDerWaalsContact O-N 3.17Å
243T96.4Very high94.6Very high42 Ų4250.9 Ų50.926%0.25825%0.247SC..Hα-helixtrans-58.9-41.1177.3-56.40000111.6W26 V230 L239 L240 S245 M246 P247W26-T243 HydrophobicContact CZ3-CG2 4.43Å; V230-T243 HydrophobicContact CG1-CG2 3.73Å; L239-T243 PolarHBondContact O-N 3.35Å; L239-T243 PolarHBondContact O-OG1 3.36Å; L240-T243 PolarHBondContact O-N 2.85Å; T243-S245 PolarHBondContact O-N 3.5Å; T243-M246 PolarHBondContact O-N 2.78Å; T243-P247 VanDerWaalsContact O-CD 3.22Å; T243-P247 WeakPolarHBondContact O-CD 3.47Å
244C95.1Very high94.4Very high2 Ų242.9 Ų42.91%0.01422%0.218CC..Hα-helixtrans-65.6-26.9177.4-70.90000113.5W26 L227 L240 L241 V242W26-C244 HydrophobicContact CB-CB 4.11Å; L227-C244 VanDerWaalsContact CD1-SG 3.59Å; L240-C244 WeakPolarHBondContact O-CB 3.1Å; L240-C244 PolarHBondContact O-N 3.33Å; L240-C244 PolarHBondContact O-SG 3.33Å; L241-C244 PolarHBondContact O-N 3.18Å; V242-C244 VanDerWaalsContact C-N 3.3Å; V242-C244 PolarHBondContact O-N 3.36Å
245S94.9Very high94.3Very high2 Ų245.3 Ų45.31%0.01422%0.224CC..Hα-helixtrans-87-18.2-179-53.70000113.1G166 L241 V242 T243 G248 T249G166-S245 VanDerWaalsContact CA-OG 3.29Å; G166-S245 WeakPolarHBondContact CA-OG 3.4Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.03Å; L241-S245 PolarHBondContact O-OG 3.43Å; V242-S245 PolarHBondContact O-N 3.28Å; T243-S245 PolarHBondContact O-N 3.5Å; S245-G248 PolarHBondContact O-N 2.88Å; S245-T249 PolarHBondContact O-N 3.44Å; S245-T249 VanDerWaalsContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 3.49Å
246M94Very high94.2Very high101 Ų10152.2 Ų52.250%0.49825%0.25SS..Hα-helixtrans-64.1-45.5-178.5-65.8-152.280.600113.8V242 T243 G248 T249 L250V242-M246 WeakPolarHBondContact O-CG 3.41Å; V242-M246 PolarHBondContact O-N 2.87Å; V242-M246 VanDerWaalsContact O-N 3.17Å; T243-M246 PolarHBondContact O-N 2.78Å; M246-G248 VanDerWaalsContact C-N 3.28Å; M246-G248 PolarHBondContact O-N 2.81Å; M246-T249 WeakPolarHBondContact O-CB 3.44Å; M246-T249 PolarHBondContact O-N 3.47Å; M246-T249 VanDerWaalsContact O-N 3.1Å; M246-L250 WeakPolarHBondContact O-CG 3.37Å; M246-L250 PolarHBondContact O-N 3.35Å
247P92.8Very high93.9Very high20 Ų2056.9 Ų56.913%0.1327%0.269CS..Hα-helixtrans-59.1-38.4177.8-2635.1000113.1L22 W26 T243 L250 F251L22-P247 HydrophobicContact CB-CB 4.06Å; W26-P247 HydrophobicContact CE3-CG 3.56Å; W26-P247 HydrophobicContact CH2-CG 4.38Å; W26-P247 HydrophobicContact CZ3-CG 3.51Å; T243-P247 VanDerWaalsContact O-CD 3.22Å; T243-P247 WeakPolarHBondContact O-CD 3.47Å; P247-L250 PolarHBondContact O-N 2.92Å; P247-F251 WeakPolarHBondContact O-CB 3.29Å; P247-F251 PolarHBondContact O-N 3.49Å
248G91.5Very high93.7Very high1 Ų156.8 Ų56.81%0.0127%0.269CS..Hα-helixtrans-63.9-43.3174.700000112T23 V159 S163 S245 M246 L250 F251 L252T23-G248 VanDerWaalsContact OG1-CA 3.3Å; T23-G248 WeakPolarHBondContact OG1-CA 3.29Å; T23-G248 PolarHBondContact OG1-N 3.05Å; V159-G248 WeakPolarHBondContact CG1-O 3.13Å; S163-G248 WeakPolarHBondContact OG-CA 3.48Å; S245-G248 PolarHBondContact O-N 2.88Å; M246-G248 VanDerWaalsContact C-N 3.28Å; M246-G248 PolarHBondContact O-N 2.81Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.32Å; G248-F251 WeakPolarHBondContact O-CB 3.44Å; G248-F251 PolarHBondContact O-N 3.14Å; G248-F251 VanDerWaalsContact O-N 3.11Å; G248-L252 PolarHBondContact O-N 3.37Å; G248-L252 VanDerWaalsContact O-N 3.16Å
249T93.4Very high93.4Very high45 Ų4555.4 Ų55.428%0.27627%0.267SS..Hα-helixtrans-62.1-43.1176.6-51.80000111.5S163 F167 S245 M246 F251 L252S163-T249 PolarHBondContact OG-N 3.49Å; S163-T249 VanDerWaalsContact OG-N 3.17Å; F167-T249 VanDerWaalsContact CE2-OG1 3.32Å; F167-T249 WeakPolarHBondContact CE2-OG1 3.28Å; S245-T249 PolarHBondContact O-N 3.44Å; S245-T249 VanDerWaalsContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 3.49Å; M246-T249 WeakPolarHBondContact O-CB 3.44Å; M246-T249 PolarHBondContact O-N 3.47Å; M246-T249 VanDerWaalsContact O-N 3.1Å; T249-F251 VanDerWaalsContact C-N 3.29Å; T249-F251 PolarHBondContact O-N 2.87Å; T249-L252 WeakPolarHBondContact O-CB 3.33Å; T249-L252 PolarHBondContact O-N 2.93Å
250L93.5Very high93.2Very high109 Ų10951.6 Ų51.657%0.57125%0.247SC*.Hα-helixtrans-65.4-34.9175-68.2175.7000111.7M246 P247 G248 L252 F253M246-L250 WeakPolarHBondContact O-CG 3.37Å; M246-L250 PolarHBondContact O-N 3.35Å; P247-L250 PolarHBondContact O-N 2.92Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.32Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 2.95Å; L250-F253 WeakPolarHBondContact O-CD2 3.35Å; L250-F253 PolarHBondContact O-N 3.23Å
251F93.2Very high92.9Very high1 Ų151.4 Ų51.40%0.00425%0.246CC..Hα-helixtrans-66-29178.3-171.5-151.5000112.6L15 L16 P19 L155 F156 V159 P247 G248 T249 F253 C254 I258L15-F251 WeakPolarHBondContact O-CE2 3.2Å; L16-F251 HydrophobicContact CD1-CZ 4.07Å; P19-F251 HydrophobicContact CB-CB 3.71Å; P19-F251 HydrophobicContact CB-CD1 3.93Å; P19-F251 HydrophobicContact CB-CD2 3.33Å; P19-F251 HydrophobicContact CB-CE1 4.39Å; P19-F251 HydrophobicContact CB-CE2 3.85Å; P19-F251 HydrophobicContact CB-CG 3.39Å; P19-F251 HydrophobicContact CB-CZ 4.36Å; P19-F251 HydrophobicContact CG-CD2 3.79Å; P19-F251 HydrophobicContact CG-CE2 4.12Å; P19-F251 HydrophobicContact CG-CG 4.33Å; L155-F251 HydrophobicContact CD1-CE1 4.37Å; L155-F251 HydrophobicContact CD2-CE1 4.16Å; L155-F251 HydrophobicContact CD2-CZ 3.98Å; L155-F251 HydrophobicContact CG-CE1 4.25Å; F156-F251 WeakPolarHBondContact CE1-O 3.48Å; V159-F251 HydrophobicContact CB-CD1 4.31Å; V159-F251 HydrophobicContact CG1-CB 4.1Å; V159-F251 HydrophobicContact CG1-CD1 3.9Å; V159-F251 HydrophobicContact CG1-CG 4.39Å; V159-F251 HydrophobicContact CG2-CD1 3.47Å; V159-F251 VanDerWaalsContact CG2-CD1 3.47Å; V159-F251 HydrophobicContact CG2-CE1 3.73Å; P247-F251 WeakPolarHBondContact O-CB 3.29Å; P247-F251 PolarHBondContact O-N 3.49Å; G248-F251 WeakPolarHBondContact O-CB 3.44Å; G248-F251 PolarHBondContact O-N 3.14Å; G248-F251 VanDerWaalsContact O-N 3.11Å; T249-F251 VanDerWaalsContact C-N 3.29Å; T249-F251 PolarHBondContact O-N 2.87Å; F251-F253 PolarHBondContact O-N 2.87Å; F251-C254 HydrophobicContact CD2-CB 3.73Å; F251-C254 HydrophobicContact CE2-CB 3.97Å; F251-C254 WeakPolarHBondContact O-CA 3.41Å; F251-C254 WeakPolarHBondContact O-CB 3.41Å; F251-C254 PolarHBondContact O-N 3.34Å; F251-I258 HydrophobicContact CE2-CD1 3.79Å; F251-I258 HydrophobicContact CZ-CD1 4.14Å
252L94.3Very high92.5Very high59 Ų5951.6 Ų51.631%0.30925%0.247SC..Hα-helixtrans-57.5-33.7175-66.1176.6000113F156 V159 A160 G248 T249 L250 C254 W255F156-L252 HydrophobicContact CD1-CD2 4.1Å; V159-L252 HydrophobicContact CB-CD2 4.1Å; V159-L252 HydrophobicContact CG1-CD2 3.7Å; V159-L252 HydrophobicContact CG1-CG 4Å; A160-L252 HydrophobicContact CB-CD1 4.37Å; A160-L252 HydrophobicContact CB-CD2 3.92Å; G248-L252 PolarHBondContact O-N 3.37Å; G248-L252 VanDerWaalsContact O-N 3.16Å; T249-L252 WeakPolarHBondContact O-CB 3.33Å; T249-L252 PolarHBondContact O-N 2.93Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 PolarHBondContact O-N 2.95Å; L252-C254 PolarHBondContact O-N 3.47Å; L252-W255 VanDerWaalsContact O-CB 3.26Å; L252-W255 WeakPolarHBondContact O-CB 3.38Å; L252-W255 PolarHBondContact O-N 3.38Å; L252-W255 VanDerWaalsContact O-N 3.11Å
253F92.7Very high91.8Very high144 Ų14454 Ų5463%0.63225%0.251SS*.G310 helixtrans-65.8-19.7175.7-62-74.7000112.8L250 F251 W255L250-F253 WeakPolarHBondContact O-CD2 3.35Å; L250-F253 PolarHBondContact O-N 3.23Å; F251-F253 PolarHBondContact O-N 2.87Å; F253-W255 PolarHBondContact O-N 3.03Å
254C91.3Very high91.4Very high19 Ų1953 Ų5313%0.12824%0.242CC..G310 helixtrans-72.3-5.8175.2-61.30000113.5L15 F156 F251 L252 W256 F257 I258L15-C254 HydrophobicContact CD1-CB 4.48Å; L15-C254 HydrophobicContact CD2-CB 4.01Å; L15-C254 HydrophobicContact CG-CB 4.14Å; F156-C254 HydrophobicContact CZ-CB 4.37Å; F251-C254 HydrophobicContact CD2-CB 3.73Å; F251-C254 HydrophobicContact CE2-CB 3.97Å; F251-C254 WeakPolarHBondContact O-CA 3.41Å; F251-C254 WeakPolarHBondContact O-CB 3.41Å; F251-C254 PolarHBondContact O-N 3.34Å; L252-C254 PolarHBondContact O-N 3.47Å; C254-W256 PolarHBondContact O-N 2.92Å; C254-W256 VanDerWaalsContact O-N 3.14Å; C254-F257 PolarHBondContact O-N 3.23Å; C254-I258 HydrophobicContact CB-CD1 4.28Å; C254-I258 PolarHBondContact O-N 2.89Å
255W92.5Very high91Very high85 Ų8553 Ų5332%0.32224%0.242SC..G310 helixtrans-50.2-39.8179172.1-97.8000113.4K152 K153 F156 L252 F253 F257K152-W255 HydrophobicContact CD-CE3 4.41Å; K152-W255 HydrophobicContact CD-CH2 4.13Å; K152-W255 HydrophobicContact CD-CZ3 4.06Å; K152-W255 VanDerWaalsContact CE-CE3 3.45Å; K152-W255 WeakPolarHBondContact CE-O 3.43Å; K152-W255 HydrophobicContact CG-CE3 4.22Å; K152-W255 HydrophobicContact CG-CH2 4.23Å; K152-W255 HydrophobicContact CG-CZ3 3.76Å; K152-W255 PolarHBondContact NZ-O 2.88Å; K153-W255 HydrophobicContact CG-CH2 3.9Å; F156-W255 HydrophobicContact CB-CE3 3.64Å; F156-W255 HydrophobicContact CB-CZ3 3.75Å; F156-W255 HydrophobicContact CD1-CB 4.09Å; F156-W255 AromaticContact CD1-CE3 3.86Å; F156-W255 HydrophobicContact CD1-CE3 3.86Å; F156-W255 AromaticContact CD2-CE3 3.35Å; F156-W255 HydrophobicContact CD2-CE3 3.35Å; F156-W255 AromaticContact CD2-CZ3 3.7Å; F156-W255 HydrophobicContact CD2-CZ3 3.7Å; F156-W255 VanDerWaalsContact CE1-CA 3.44Å; F156-W255 HydrophobicContact CE1-CB 3.74Å; F156-W255 HydrophobicContact CE1-CE3 4.33Å; F156-W255 VanDerWaalsContact CE1-N 3.28Å; F156-W255 AromaticContact CE2-CE3 3.88Å; F156-W255 HydrophobicContact CE2-CE3 3.88Å; F156-W255 HydrophobicContact CE2-CZ3 4.5Å; F156-W255 HydrophobicContact CG-CD2 4.48Å; F156-W255 AromaticContact CG-CE3 3.35Å; F156-W255 HydrophobicContact CG-CE3 3.35Å; F156-W255 AromaticContact CG-CZ3 3.85Å; F156-W255 HydrophobicContact CG-CZ3 3.85Å; F156-W255 HydrophobicContact CZ-CB 4.07Å; F156-W255 HydrophobicContact CZ-CE3 4.35Å; F156-W255 VanDerWaalsContact CZ-N 3.31Å; L252-W255 VanDerWaalsContact O-CB 3.26Å; L252-W255 WeakPolarHBondContact O-CB 3.38Å; L252-W255 PolarHBondContact O-N 3.38Å; L252-W255 VanDerWaalsContact O-N 3.11Å; F253-W255 PolarHBondContact O-N 3.03Å; W255-F257 VanDerWaalsContact C-N 3.34Å; W255-F257 PolarHBondContact O-N 3.48Å
256W90.4Very high90.5Very high214 Ų21454.7 Ų54.781%0.81125%0.251SS*.G310 helixtrans-73.8-24.6-176.6-63.5101.6000113.5C254C254-W256 PolarHBondContact O-N 2.92Å; C254-W256 VanDerWaalsContact O-N 3.14Å
257F88.5Confident89.8Confident129 Ų12953.3 Ų53.357%0.56625%0.251SS*.THydrogen-bonded Turntrans-95.5-21.1-174.5-59.7-69.9000113.6L15 C254 W255 P259L15-F257 HydrophobicContact CD2-CB 3.62Å; C254-F257 PolarHBondContact O-N 3.23Å; W255-F257 VanDerWaalsContact C-N 3.34Å; W255-F257 PolarHBondContact O-N 3.48Å; F257-P259 WeakPolarHBondContact O-CD 3.38Å
258I90.6Very high89.3Confident2 Ų256.5 Ų56.51%0.0126%0.263CS..  trans-92.5115.1-178.3-61.2-177.3000109.5L12 L15 L16 K152 F156 L199 F251 C254L12-I258 HydrophobicContact CD1-CG1 4.25Å; L15-I258 HydrophobicContact CD2-CD1 4.06Å; L15-I258 HydrophobicContact CD2-CG1 3.58Å; L16-I258 HydrophobicContact CD1-CD1 4.26Å; K152-I258 VanDerWaalsContact CD-O 3.23Å; K152-I258 WeakPolarHBondContact CD-O 3.4Å; K152-I258 WeakPolarHBondContact CE-O 3.32Å; K152-I258 PolarHBondContact NZ-O 3.39Å; F156-I258 HydrophobicContact CE2-CB 4.28Å; F156-I258 HydrophobicContact CE2-CD1 4.13Å; F156-I258 HydrophobicContact CZ-CB 4.5Å; F156-I258 HydrophobicContact CZ-CD1 3.92Å; L199-I258 HydrophobicContact CD2-CG2 3.84Å; F251-I258 HydrophobicContact CE2-CD1 3.79Å; F251-I258 HydrophobicContact CZ-CD1 4.14Å; C254-I258 HydrophobicContact CB-CD1 4.28Å; C254-I258 PolarHBondContact O-N 2.89Å
259P91.2Very high88.9Confident27 Ų2764.6 Ų64.618%0.17529%0.293CS..PPolyproline II helixtrans-75.5164.8171.426.1-25.7000112F203 F257 T277F203-P259 HydrophobicContact CE1-CG 3.89Å; F203-P259 HydrophobicContact CZ-CB 4.2Å; F203-P259 HydrophobicContact CZ-CG 3.63Å; F257-P259 WeakPolarHBondContact O-CD 3.38Å; P259-T277 HydrophobicContact CB-CG2 3.8Å; P259-T277 HydrophobicContact CG-CG2 4.35Å
260E92.9Very high88.5Confident24 Ų2466 Ų6611%0.11230%0.296CS..PPolyproline II helixtrans-75.9156.1171.3-172.658.8-89.900110.4G150 R151 K152 F203 W264 L265G150-E260 WeakPolarHBondContact CA-OE2 3.31Å; R151-E260 WeakPolarHBondContact CB-OE1 3.33Å; R151-E260 PolarHBondContact N-OE1 2.7Å; R151-E260 PolarHBondContact N-OE2 3.08Å; K152-E260 HydrophobicContact CB-CB 4.45Å; K152-E260 VanDerWaalsContact CB-OE2 3.25Å; K152-E260 WeakPolarHBondContact CB-OE2 3.39Å; K152-E260 PolarHBondContact N-OE1 2.98Å; K152-E260 PolarHBondContact N-OE2 2.95Å; K152-E260 VanDerWaalsContact N-OE2 3.17Å; F203-E260 WeakPolarHBondContact CZ-O 3.46Å; E260-W264 HydrophobicContact CG-CE3 3.84Å; E260-W264 HydrophobicContact CG-CZ3 4.1Å; E260-L265 HydrophobicContact CB-CD1 4.38Å; E260-L265 HydrophobicContact CG-CD2 4.33Å; E260-L265 HydrophobicContact CG-CG 4.27Å
261S89.3Confident87.9Confident0 Ų062 Ų620%027%0.274CS..PPolyproline II helixtrans-62.7125.2-178.31680000113.2E202 R263 W264 L265E202-S261 WeakPolarHBondContact CB-OG 3.39Å; E202-S261 WeakPolarHBondContact OE2-CB 3.13Å; E202-S261 PolarHBondContact OE2-OG 2.98Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.22Å; S261-R263 PolarHBondContact OG-N 3.2Å; S261-W264 PolarHBondContact O-N 3.35Å; S261-W264 PolarHBondContact OG-N 3.11Å; S261-W264 VanDerWaalsContact OG-N 3.13Å; S261-L265 VanDerWaalsContact O-CG 3.28Å; S261-L265 WeakPolarHBondContact O-CG 3.34Å; S261-L265 PolarHBondContact O-N 2.93Å
262P86.4Confident87.5Confident8 Ų867 Ų675%0.05231%0.305CS..Hα-helixtrans-65.2-35.1177.126.3-33.4000111.7F203 L265 I266 L278F203-P262 HydrophobicContact CD1-CG 4.49Å; F203-P262 HydrophobicContact CE1-CG 4.27Å; P262-L265 PolarHBondContact O-N 2.99Å; P262-I266 WeakPolarHBondContact O-CD1 3.23Å; P262-I266 VanDerWaalsContact O-CG1 3.25Å; P262-I266 WeakPolarHBondContact O-CG1 3.49Å; P262-I266 PolarHBondContact O-N 3.31Å; P262-L278 HydrophobicContact CB-CD1 4.24Å; P262-L278 HydrophobicContact CB-CD2 3.8Å; P262-L278 HydrophobicContact CB-CG 3.83Å; P262-L278 HydrophobicContact CG-CD2 3.95Å
263R84Confident87.1Confident99 Ų9969 Ų6937%0.37431%0.313SS..Hα-helixtrans-66.4-42.6177.8-66.4-175.7178.9178.6-2.8111.3E202 D206 S261 I266 S267E202-R263 HydrophobicContact CG-CB 4.44Å; D206-R263 IonicContact OD1-NH2 3.7Å; D206-R263 PolarHBondContact OD1-NH2 3.07Å; S261-R263 VanDerWaalsContact C-N 3.29Å; S261-R263 PolarHBondContact O-N 3.22Å; S261-R263 PolarHBondContact OG-N 3.2Å; R263-I266 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-N 3.43Å
264W87.1Confident86.7Confident21 Ų2162.2 Ų62.28%0.0828%0.282CS..Hα-helixtrans-64.7-42.9175.2-178.987.1000111.5D147 Y149 G150 E260 S261 I266 S267 K268D147-W264 PolarHBondContact O-NE1 2.9Å; Y149-W264 VanDerWaalsContact C-CZ2 3.41Å; G150-W264 VanDerWaalsContact CA-CE2 3.47Å; E260-W264 HydrophobicContact CG-CE3 3.84Å; E260-W264 HydrophobicContact CG-CZ3 4.1Å; S261-W264 PolarHBondContact O-N 3.35Å; S261-W264 PolarHBondContact OG-N 3.11Å; S261-W264 VanDerWaalsContact OG-N 3.13Å; W264-I266 VanDerWaalsContact C-N 3.34Å; W264-I266 PolarHBondContact O-N 3.29Å; W264-S267 WeakPolarHBondContact O-CB 3.32Å; W264-S267 PolarHBondContact O-N 2.71Å; W264-S267 VanDerWaalsContact O-N 3.13Å; W264-S267 PolarHBondContact O-OG 3.07Å; W264-K268 HydrophobicContact CD2-CG 3.98Å; W264-K268 HydrophobicContact CE3-CG 4.29Å; W264-K268 HydrophobicContact CH2-CG 3.9Å; W264-K268 HydrophobicContact CZ2-CD 4.16Å; W264-K268 HydrophobicContact CZ2-CG 3.55Å; W264-K268 HydrophobicContact CZ3-CG 4.25Å; W264-K268 PolarHBondContact O-N 2.66Å
265L87Confident86.3Confident2 Ų262.4 Ų62.41%0.0128%0.283CS..Hα-helixtrans-59.9-43177-70.6168.5000112.1E260 S261 P262 K268 R269 Q270 Q273 A274E260-L265 HydrophobicContact CB-CD1 4.38Å; E260-L265 HydrophobicContact CG-CD2 4.33Å; E260-L265 HydrophobicContact CG-CG 4.27Å; S261-L265 VanDerWaalsContact O-CG 3.28Å; S261-L265 WeakPolarHBondContact O-CG 3.34Å; S261-L265 PolarHBondContact O-N 2.93Å; P262-L265 PolarHBondContact O-N 2.99Å; L265-K268 CarbonylContact O-C 3.37Å; L265-K268 PolarHBondContact O-N 3.35Å; L265-R269 PolarHBondContact O-N 2.84Å; L265-Q270 HydrophobicContact CB-CB 4.4Å; L265-Q270 HydrophobicContact CD2-CB 4Å; L265-Q270 PolarHBondContact O-N 3.43Å; L265-Q273 HydrophobicContact CD1-CB 4.04Å; L265-Q273 HydrophobicContact CD2-CB 4.02Å; L265-A274 HydrophobicContact CB-CB 3.76Å; L265-A274 HydrophobicContact CD1-CB 4.47Å
266I83.5Confident86Confident38 Ų3863.3 Ų63.320%0.19529%0.294CS..Hα-helixtrans-60.1-47.1173.5-68164.3000110.2P262 R263 W264 K268 R269 Y271 A274P262-I266 WeakPolarHBondContact O-CD1 3.23Å; P262-I266 VanDerWaalsContact O-CG1 3.25Å; P262-I266 WeakPolarHBondContact O-CG1 3.49Å; P262-I266 PolarHBondContact O-N 3.31Å; R263-I266 PolarHBondContact O-N 3.23Å; W264-I266 VanDerWaalsContact C-N 3.34Å; W264-I266 PolarHBondContact O-N 3.29Å; I266-K268 PolarHBondContact O-N 3.28Å; I266-R269 WeakPolarHBondContact O-CA 3.37Å; I266-R269 PolarHBondContact O-N 2.88Å; I266-Y271 HydrophobicContact CG2-CE1 4.09Å; I266-A274 HydrophobicContact CD1-CB 4.5Å; I266-A274 HydrophobicContact CG1-CB 3.78Å
267S80Confident85.7Confident73 Ų7354.3 Ų54.351%0.5126%0.263SS..Hα-helixtrans-61.6-26.9178.1810000113.8R263 W264 R269R263-S267 PolarHBondContact O-N 3.43Å; W264-S267 WeakPolarHBondContact O-CB 3.32Å; W264-S267 PolarHBondContact O-N 2.71Å; W264-S267 VanDerWaalsContact O-N 3.13Å; W264-S267 PolarHBondContact O-OG 3.07Å; S267-R269 VanDerWaalsContact C-N 3.32Å
268K82.6Confident85.4Confident86 Ų8649.2 Ų49.237%0.37424%0.242SC..THydrogen-bonded Turntrans-90.88175.2-66.8-57.8-174.1-169.10113.5D147 W264 L265 I266 Q270D147-K268 WeakPolarHBondContact O-CE 3.4Å; D147-K268 PolarHBondContact O-NZ 2.96Å; W264-K268 HydrophobicContact CD2-CG 3.98Å; W264-K268 HydrophobicContact CE3-CG 4.29Å; W264-K268 HydrophobicContact CH2-CG 3.9Å; W264-K268 HydrophobicContact CZ2-CD 4.16Å; W264-K268 HydrophobicContact CZ2-CG 3.55Å; W264-K268 HydrophobicContact CZ3-CG 4.25Å; W264-K268 PolarHBondContact O-N 2.66Å; L265-K268 CarbonylContact O-C 3.37Å; L265-K268 PolarHBondContact O-N 3.35Å; I266-K268 PolarHBondContact O-N 3.28Å; K268-Q270 HydrophobicContact CB-CG 4.24Å; K268-Q270 PolarHBondContact O-N 3.04Å
269R82.8Confident85Confident171 Ų17150 Ų5065%0.64525%0.248SC*.THydrogen-bonded Turntrans60.123.4-177.4-54.1178.2177.8-172.7-5.2113.3L265 I266 S267 Y271L265-R269 PolarHBondContact O-N 2.84Å; I266-R269 WeakPolarHBondContact O-CA 3.37Å; I266-R269 PolarHBondContact O-N 2.88Å; S267-R269 VanDerWaalsContact C-N 3.32Å; R269-Y271 VanDerWaalsContact C-CD2 3.48Å; R269-Y271 VanDerWaalsContact C-N 3.28Å; R269-Y271 HydrophobicContact CB-CD2 4.34Å; R269-Y271 HydrophobicContact CB-CE2 3.62Å; R269-Y271 HydrophobicContact CG-CE2 4.17Å; R269-Y271 WeakPolarHBondContact O-CD2 3.26Å; R269-Y271 PolarHBondContact O-N 2.93Å
270Q84.6Confident84.6Confident74 Ų7450.4 Ų50.435%0.34626%0.258SS..  trans-92.259176.9-67.1-175.3-11.800110.4L265 K268 V272 Q273 A274L265-Q270 HydrophobicContact CB-CB 4.4Å; L265-Q270 HydrophobicContact CD2-CB 4Å; L265-Q270 PolarHBondContact O-N 3.43Å; K268-Q270 HydrophobicContact CB-CG 4.24Å; K268-Q270 PolarHBondContact O-N 3.04Å; Q270-V272 PolarHBondContact O-N 2.89Å; Q270-Q273 HydrophobicContact CB-CB 4.49Å; Q270-Q273 PolarHBondContact O-N 3.03Å; Q270-A274 PolarHBondContact O-N 2.76Å
271Y82Confident84Confident26 Ų2649.6 Ų49.610%0.10226%0.255CS..Hα-helixtrans-63.4-37.5-170.5-58.7-83.4000113.6I266 R269 Q273 A274 T275 F302I266-Y271 HydrophobicContact CG2-CE1 4.09Å; R269-Y271 VanDerWaalsContact C-CD2 3.48Å; R269-Y271 VanDerWaalsContact C-N 3.28Å; R269-Y271 HydrophobicContact CB-CD2 4.34Å; R269-Y271 HydrophobicContact CB-CE2 3.62Å; R269-Y271 HydrophobicContact CG-CE2 4.17Å; R269-Y271 WeakPolarHBondContact O-CD2 3.26Å; R269-Y271 PolarHBondContact O-N 2.93Å; Y271-Q273 PolarHBondContact O-N 2.96Å; Y271-A274 WeakPolarHBondContact O-CB 3.49Å; Y271-A274 PolarHBondContact O-N 2.95Å; Y271-T275 WeakPolarHBondContact O-CG2 3.4Å; Y271-T275 PolarHBondContact O-N 2.73Å; Y271-T275 PolarHBondContact O-OG1 3.49Å; Y271-T275 VanDerWaalsContact O-OG1 3.06Å; Y271-F302 HydrophobicContact CD1-CD2 4.26Å; Y271-F302 AromaticContact CD2-CD2 3.24Å; Y271-F302 HydrophobicContact CD2-CD2 3.24Å; Y271-F302 AromaticContact CD2-CE2 3.4Å; Y271-F302 HydrophobicContact CD2-CE2 3.4Å; Y271-F302 HydrophobicContact CD2-CG 4.48Å; Y271-F302 HydrophobicContact CE1-CB 4.35Å; Y271-F302 HydrophobicContact CE1-CD2 4.1Å; Y271-F302 AromaticContact CE2-CD2 3Å; Y271-F302 HydrophobicContact CE2-CD2 3Å; Y271-F302 AromaticContact CE2-CE2 3.25Å; Y271-F302 HydrophobicContact CE2-CE2 3.25Å; Y271-F302 HydrophobicContact CE2-CG 4Å; Y271-F302 HydrophobicContact CE2-CZ 4.41Å; Y271-F302 AromaticContact CG-CD2 3.86Å; Y271-F302 HydrophobicContact CG-CD2 3.86Å; Y271-F302 HydrophobicContact CG-CE2 4.37Å; Y271-F302 AromaticContact CZ-CD2 3.48Å; Y271-F302 VanDerWaalsContact CZ-CD2 3.48Å
272V83.7Confident83.5Confident106 Ų10650 Ų5064%0.64226%0.258SS*.Hα-helixtrans-59.4-48.2177.9-179.60000110.5Q270 A274 T275 D276Q270-V272 PolarHBondContact O-N 2.89Å; V272-A274 VanDerWaalsContact C-N 3.33Å; V272-A274 PolarHBondContact O-N 3.48Å; V272-T275 WeakPolarHBondContact CA-OG1 3.36Å; V272-T275 PolarHBondContact O-N 3.4Å; V272-T275 PolarHBondContact O-OG1 3.3Å; V272-D276 WeakPolarHBondContact O-CB 3.36Å; V272-D276 PolarHBondContact O-N 3.03Å
273Q85.2Confident83.2Confident102 Ų10255 Ų5548%0.47728%0.283SS..Hα-helixtrans-66.3-36.6177.8-63.9-178.51600111.9L265 Q270 Y271 D276 T277L265-Q273 HydrophobicContact CD1-CB 4.04Å; L265-Q273 HydrophobicContact CD2-CB 4.02Å; Q270-Q273 HydrophobicContact CB-CB 4.49Å; Q270-Q273 PolarHBondContact O-N 3.03Å; Y271-Q273 PolarHBondContact O-N 2.96Å; Q273-D276 PolarHBondContact O-N 3.39Å; Q273-T277 WeakPolarHBondContact O-CB 3.23Å; Q273-T277 PolarHBondContact O-N 3.13Å; Q273-T277 PolarHBondContact O-OG1 3.31Å
274A84.2Confident83Confident0 Ų057.7 Ų57.70%029%0.293CS..Hα-helixtrans-63.9-44.6175.200000111.4L265 I266 Q270 Y271 V272 T277 L278L265-A274 HydrophobicContact CB-CB 3.76Å; L265-A274 HydrophobicContact CD1-CB 4.47Å; I266-A274 HydrophobicContact CD1-CB 4.5Å; I266-A274 HydrophobicContact CG1-CB 3.78Å; Q270-A274 PolarHBondContact O-N 2.76Å; Y271-A274 WeakPolarHBondContact O-CB 3.49Å; Y271-A274 PolarHBondContact O-N 2.95Å; V272-A274 VanDerWaalsContact C-N 3.33Å; V272-A274 PolarHBondContact O-N 3.48Å; A274-T277 PolarHBondContact O-N 2.97Å; A274-L278 WeakPolarHBondContact O-CB 3.18Å; A274-L278 WeakPolarHBondContact O-CG 3.21Å; A274-L278 PolarHBondContact O-N 3.3Å
275T83.1Confident82.5Confident24 Ų2458.6 Ų58.615%0.14730%0.299CS..Hα-helixtrans-65.9-40.417749.90000111.8Y271 V272 T277 L278 A279 K295 C298Y271-T275 WeakPolarHBondContact O-CG2 3.4Å; Y271-T275 PolarHBondContact O-N 2.73Å; Y271-T275 PolarHBondContact O-OG1 3.49Å; Y271-T275 VanDerWaalsContact O-OG1 3.06Å; V272-T275 WeakPolarHBondContact CA-OG1 3.36Å; V272-T275 PolarHBondContact O-N 3.4Å; V272-T275 PolarHBondContact O-OG1 3.3Å; T275-T277 VanDerWaalsContact C-N 3.34Å; T275-T277 PolarHBondContact O-N 2.8Å; T275-L278 PolarHBondContact O-N 3.36Å; T275-A279 WeakPolarHBondContact O-CB 3.15Å; T275-A279 PolarHBondContact O-N 2.95Å; T275-K295 HydrophobicContact CG2-CG 4.33Å; T275-C298 HydrophobicContact CG2-CB 3.83Å
276D86Confident82Confident103 Ų10369.6 Ų69.655%0.55134%0.341SS*.Hα-helixtrans-65-41.4177.7-67.6-18.1000111.1V272 Q273 A279 G280V272-D276 WeakPolarHBondContact O-CB 3.36Å; V272-D276 PolarHBondContact O-N 3.03Å; Q273-D276 PolarHBondContact O-N 3.39Å; D276-A279 PolarHBondContact O-N 3.49Å; D276-G280 PolarHBondContact O-N 3Å
277T84.4Confident81.4Confident26 Ų2669.9 Ų69.916%0.1634%0.343CS..Hα-helixtrans-62.5-51.9175.9-57.80000110.6F203 P259 Q273 A274 T275 A279 G280 V281F203-T277 HydrophobicContact CE1-CG2 4.34Å; P259-T277 HydrophobicContact CB-CG2 3.8Å; P259-T277 HydrophobicContact CG-CG2 4.35Å; Q273-T277 WeakPolarHBondContact O-CB 3.23Å; Q273-T277 PolarHBondContact O-N 3.13Å; Q273-T277 PolarHBondContact O-OG1 3.31Å; A274-T277 PolarHBondContact O-N 2.97Å; T275-T277 VanDerWaalsContact C-N 3.34Å; T275-T277 PolarHBondContact O-N 2.8Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 3.21Å; T277-G280 PolarHBondContact O-N 3.01Å; T277-V281 WeakPolarHBondContact O-CG2 3.37Å; T277-V281 PolarHBondContact O-N 3Å
278L83.2Confident80.7Confident21 Ų2170.1 Ų70.111%0.1135%0.345CS..Hα-helixtrans-64.7-37179.7-70.7172.8000112.4A2 P262 A274 T275 V281 A282 I294A2-L278 HydrophobicContact CB-CD2 4.49Å; P262-L278 HydrophobicContact CB-CD1 4.24Å; P262-L278 HydrophobicContact CB-CD2 3.8Å; P262-L278 HydrophobicContact CB-CG 3.83Å; P262-L278 HydrophobicContact CG-CD2 3.95Å; A274-L278 WeakPolarHBondContact O-CB 3.18Å; A274-L278 WeakPolarHBondContact O-CG 3.21Å; A274-L278 PolarHBondContact O-N 3.3Å; T275-L278 PolarHBondContact O-N 3.36Å; L278-V281 PolarHBondContact O-N 3.45Å; L278-A282 WeakPolarHBondContact O-CB 3.21Å; L278-A282 PolarHBondContact O-N 2.91Å; L278-I294 HydrophobicContact CB-CG2 3.7Å; L278-I294 HydrophobicContact CD1-CG2 3.75Å; L278-I294 HydrophobicContact CG-CG2 4.38Å
279A82.2Confident79.7Confident18 Ų1874.8 Ų74.815%0.14937%0.367CS..Hα-helixtrans-64.9-43.3174.100000111.1T275 D276 T277 V281 A282 I283 I291T275-A279 WeakPolarHBondContact O-CB 3.15Å; T275-A279 PolarHBondContact O-N 2.95Å; D276-A279 PolarHBondContact O-N 3.49Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 3.21Å; A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 2.91Å; A279-A282 PolarHBondContact O-N 3.11Å; A279-A282 VanDerWaalsContact O-N 3.13Å; A279-I283 WeakPolarHBondContact O-CB 3.46Å; A279-I283 VanDerWaalsContact O-CG1 3.23Å; A279-I283 WeakPolarHBondContact O-CG1 3.5Å; A279-I283 PolarHBondContact O-N 3.26Å; A279-I291 HydrophobicContact CB-CG2 4.39Å
280G81.4Confident79Confident37 Ų3769.3 Ų69.338%0.38135%0.351SS..Hα-helixtrans-58.4-41.7173.500000112.6D276 T277 R284D276-G280 PolarHBondContact O-N 3Å; T277-G280 PolarHBondContact O-N 3.01Å; G280-R284 WeakPolarHBondContact O-CB 3.27Å; G280-R284 PolarHBondContact O-N 3.16Å; G280-R284 VanDerWaalsContact O-N 3.13Å
281V80.8Confident78.3Confident7 Ų767.4 Ų67.44%0.04234%0.343CS..Hα-helixtrans-63.8-44.7172.8177.10000111.5Y8 T277 L278 A279 R284 N285Y8-V281 HydrophobicContact CD1-CB 4.48Å; Y8-V281 HydrophobicContact CD1-CG1 3.97Å; Y8-V281 HydrophobicContact CD1-CG2 4.34Å; Y8-V281 HydrophobicContact CE1-CB 4.29Å; Y8-V281 HydrophobicContact CE1-CG1 4.15Å; Y8-V281 HydrophobicContact CE1-CG2 3.69Å; T277-V281 WeakPolarHBondContact O-CG2 3.37Å; T277-V281 PolarHBondContact O-N 3Å; L278-V281 PolarHBondContact O-N 3.45Å; A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 2.91Å; V281-R284 PolarHBondContact O-N 2.98Å; V281-N285 WeakPolarHBondContact O-CB 3.08Å; V281-N285 PolarHBondContact O-N 2.8Å
282A78.9Confident77.7Confident9 Ų973.3 Ų73.37%0.07437%0.372CS..Hα-helixtrans-64.3-43.1-179.300000112.6L278 A279 N285 R286 N287 I291 I294L278-A282 WeakPolarHBondContact O-CB 3.21Å; L278-A282 PolarHBondContact O-N 2.91Å; A279-A282 PolarHBondContact O-N 3.11Å; A279-A282 VanDerWaalsContact O-N 3.13Å; A282-N285 CarbonylContact O-C 3.56Å; A282-N285 PolarHBondContact O-N 3.36Å; A282-R286 PolarHBondContact O-N 2.84Å; A282-R286 VanDerWaalsContact O-N 3.16Å; A282-N287 PolarHBondContact O-N 2.77Å; A282-I291 HydrophobicContact CB-CG1 4.04Å; A282-I294 HydrophobicContact CB-CD1 4.21Å
283I80.2Confident77.1Confident111 Ų11175.7 Ų75.757%0.56937%0.369SS*.Hα-helixtrans-60.3-47.5175.5-68.4164000110A279 N285 R286 I291A279-I283 WeakPolarHBondContact O-CB 3.46Å; A279-I283 VanDerWaalsContact O-CG1 3.23Å; A279-I283 WeakPolarHBondContact O-CG1 3.5Å; A279-I283 PolarHBondContact O-N 3.26Å; I283-N285 PolarHBondContact O-N 2.53Å; I283-R286 PolarHBondContact O-N 3.29Å; I283-I291 HydrophobicContact CG1-CD1 4.09Å
284R79.6Confident76.4Confident156 Ų15671.3 Ų71.359%0.58935%0.349SS*.Hα-helixtrans-67.1-25.1179.9-158.5158179.1179.44.1112.9Y8 G280 V281 R286Y8-R284 HydrophobicContact CD2-CG 3.89Å; Y8-R284 HydrophobicContact CG-CB 4.29Å; Y8-R284 HydrophobicContact CG-CG 4.03Å; G280-R284 WeakPolarHBondContact O-CB 3.27Å; G280-R284 PolarHBondContact O-N 3.16Å; G280-R284 VanDerWaalsContact O-N 3.13Å; V281-R284 PolarHBondContact O-N 2.98Å; R284-R286 VanDerWaalsContact C-N 3.34Å
285N78.2Confident75.7Confident40 Ų4077.2 Ų77.221%0.21437%0.374CS..THydrogen-bonded Turntrans-85.81.2172.9-71.9-10.1000114.3S6 Y8 V281 A282 I283 N287S6-N285 VanDerWaalsContact CB-OD1 3.27Å; S6-N285 WeakPolarHBondContact CB-OD1 3.49Å; S6-N285 PolarHBondContact OG-ND2 3.05Å; S6-N285 PolarHBondContact OG-OD1 3.47Å; Y8-N285 VanDerWaalsContact CB-OD1 3.26Å; Y8-N285 WeakPolarHBondContact CB-OD1 3.26Å; V281-N285 WeakPolarHBondContact O-CB 3.08Å; V281-N285 PolarHBondContact O-N 2.8Å; A282-N285 CarbonylContact O-C 3.56Å; A282-N285 PolarHBondContact O-N 3.36Å; I283-N285 PolarHBondContact O-N 2.53Å; N285-N287 PolarHBondContact O-N 3.48Å
286R75.1Confident75.2Confident234 Ų23481.8 Ų81.888%0.88339%0.394SS*.THydrogen-bonded Turntrans54.930.3-174.4-56-177178.2-175.9-1.2113.5A282 I283 R284A282-R286 PolarHBondContact O-N 2.84Å; A282-R286 VanDerWaalsContact O-N 3.16Å; I283-R286 PolarHBondContact O-N 3.29Å; R284-R286 VanDerWaalsContact C-N 3.34Å
287N71.9Confident74.5Confident44 Ų4478.6 Ų78.624%0.23538%0.379CS..  trans-11757.4179.3-165.4-17.5000109.7A282 N285 E289 N290A282-N287 PolarHBondContact O-N 2.77Å; N285-N287 PolarHBondContact O-N 3.48Å; N287-E289 VanDerWaalsContact C-N 3.29Å; N287-E289 PolarHBondContact O-N 3.44Å; N287-N290 PolarHBondContact ND2-ND2 3.08Å; N287-N290 PolarHBondContact OD1-ND2 3.43Å
288S64.2Low73.7Confident78 Ų7877.8 Ų77.855%0.54537%0.374SS..G310 helixtrans-70.1-22.9-176.4480000113.5N290 I291S288-N290 PolarHBondContact O-N 2.99Å; S288-I291 WeakPolarHBondContact O-CB 3.43Å; S288-I291 WeakPolarHBondContact O-CD1 3.29Å; S288-I291 VanDerWaalsContact O-CG1 3.24Å; S288-I291 WeakPolarHBondContact O-CG1 3.45Å; S288-I291 PolarHBondContact O-N 2.6Å; S288-I291 VanDerWaalsContact O-N 3.16Å
289E61.7Low73Confident183 Ų18386.2 Ų86.286%0.85540%0.404SS*.G310 helixtrans-59.5-30.8176.7-90.5-180151.300112.8N287 I291N287-E289 VanDerWaalsContact C-N 3.29Å; N287-E289 PolarHBondContact O-N 3.44Å; E289-I291 VanDerWaalsContact C-N 3.28Å; E289-I291 PolarHBondContact O-N 3.39Å
290N69.3Low72.4Confident56 Ų5691 Ų9130%0.29942%0.423SS..G310 helixtrans-81-0.5-179.3-83.2-57.5000114.4N287 S288 E292 R293 I294N287-N290 PolarHBondContact ND2-ND2 3.08Å; N287-N290 PolarHBondContact OD1-ND2 3.43Å; S288-N290 PolarHBondContact O-N 2.99Å; N290-E292 PolarHBondContact O-N 2.85Å; N290-R293 PolarHBondContact O-N 2.91Å; N290-I294 HydrophobicContact CB-CD1 4.47Å; N290-I294 WeakPolarHBondContact O-CB 3.23Å; N290-I294 WeakPolarHBondContact O-CD1 3.4Å; N290-I294 WeakPolarHBondContact O-CG1 3.25Å; N290-I294 PolarHBondContact O-N 2.76Å
291I68.6Low71.6Confident35 Ų3591 Ų9118%0.17942%0.418CS..Hα-helixtrans-65.3-42.1-174.8-66.1170.1000111.7A279 A282 I283 S288 E289 I294 K295A279-I291 HydrophobicContact CB-CG2 4.39Å; A282-I291 HydrophobicContact CB-CG1 4.04Å; I283-I291 HydrophobicContact CG1-CD1 4.09Å; S288-I291 WeakPolarHBondContact O-CB 3.43Å; S288-I291 WeakPolarHBondContact O-CD1 3.29Å; S288-I291 VanDerWaalsContact O-CG1 3.24Å; S288-I291 WeakPolarHBondContact O-CG1 3.45Å; S288-I291 PolarHBondContact O-N 2.6Å; S288-I291 VanDerWaalsContact O-N 3.16Å; E289-I291 VanDerWaalsContact C-N 3.28Å; E289-I291 PolarHBondContact O-N 3.39Å; I291-I294 WeakPolarHBondContact O-CB 3.31Å; I291-I294 PolarHBondContact O-N 3.32Å; I291-K295 PolarHBondContact O-N 3.3Å
292E69.1Low70.6Confident150 Ų15096.9 Ų96.970%0.70144%0.443SS*.Hα-helixtrans-64.8-45177.4-69.9-162.1152.900111.4N290 I294 K295 E296N290-E292 PolarHBondContact O-N 2.85Å; E292-I294 VanDerWaalsContact C-N 3.26Å; E292-I294 PolarHBondContact O-N 3.08Å; E292-K295 WeakPolarHBondContact O-CA 3.38Å; E292-K295 WeakPolarHBondContact O-CB 3.15Å; E292-K295 PolarHBondContact O-N 3.11Å; E292-E296 PolarHBondContact O-N 3.04Å
293R71.2Confident69.5Low155 Ų155104.1 Ų104.159%0.58548%0.477SS*.Hα-helixtrans-59.4-36.2175.5-164178.8-178.5171.33.7112.7M1 N290 T297M1-R293 HydrophobicContact CE-CG 4.3Å; N290-R293 PolarHBondContact O-N 2.91Å; R293-T297 PolarHBondContact O-N 2.91Å; R293-T297 PolarHBondContact O-OG1 3.47Å
294I71.1Confident68.5Low10 Ų10106.5 Ų106.55%0.05149%0.486CS..Hα-helixtrans-64.2-44.9173.7-72.8163.3000110.6M1 L278 A282 N290 I291 E292 E296 T297 C298M1-I294 HydrophobicContact CB-CG1 4.46Å; M1-I294 HydrophobicContact CG-CG1 4.37Å; L278-I294 HydrophobicContact CB-CG2 3.7Å; L278-I294 HydrophobicContact CD1-CG2 3.75Å; L278-I294 HydrophobicContact CG-CG2 4.38Å; A282-I294 HydrophobicContact CB-CD1 4.21Å; N290-I294 HydrophobicContact CB-CD1 4.47Å; N290-I294 WeakPolarHBondContact O-CB 3.23Å; N290-I294 WeakPolarHBondContact O-CD1 3.4Å; N290-I294 WeakPolarHBondContact O-CG1 3.25Å; N290-I294 PolarHBondContact O-N 2.76Å; I291-I294 WeakPolarHBondContact O-CB 3.31Å; I291-I294 PolarHBondContact O-N 3.32Å; E292-I294 VanDerWaalsContact C-N 3.26Å; E292-I294 PolarHBondContact O-N 3.08Å; I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 PolarHBondContact O-N 3.34Å; I294-T297 PolarHBondContact O-N 3.38Å; I294-C298 PolarHBondContact O-N 3.3Å; I294-C298 PolarHBondContact O-SG 3.32Å
295K70.4Confident67.2Low124 Ų124103.9 Ų103.954%0.53948%0.483SS..Hα-helixtrans-61.8-42.5177.5-71.6177.8179.2178.70111.5T275 I291 E292 R299T275-K295 HydrophobicContact CG2-CG 4.33Å; I291-K295 PolarHBondContact O-N 3.3Å; E292-K295 WeakPolarHBondContact O-CA 3.38Å; E292-K295 WeakPolarHBondContact O-CB 3.15Å; E292-K295 PolarHBondContact O-N 3.11Å; K295-R299 WeakPolarHBondContact O-CB 3.48Å; K295-R299 PolarHBondContact O-N 2.69Å
296E71.2Confident65.5Low120 Ų120109.2 Ų109.256%0.56151%0.512SS*.Hα-helixtrans-62.8-47176.8-72.5178.6162.900112E292 I294 C298 R299 E300E292-E296 PolarHBondContact O-N 3.04Å; I294-E296 VanDerWaalsContact C-N 3.34Å; I294-E296 PolarHBondContact O-N 3.34Å; E296-C298 VanDerWaalsContact C-N 3.33Å; E296-C298 PolarHBondContact O-N 2.92Å; E296-R299 CarbonylContact O-C 3.46Å; E296-R299 WeakPolarHBondContact O-CA 3.48Å; E296-R299 VanDerWaalsContact O-CB 3.3Å; E296-R299 WeakPolarHBondContact O-CB 3.45Å; E296-R299 PolarHBondContact O-N 3.49Å; E296-E300 PolarHBondContact O-N 3Å
297T72.2Confident64Low37 Ų37106.7 Ų106.723%0.22751%0.508CS..Hα-helixtrans-65.3-37.8-178.7-480000112.1M1 R293 I294 R299 E300 S301M1-T297 HydrophobicContact CE-CG2 3.83Å; M1-T297 WeakPolarHBondContact CE-OG1 3.42Å; M1-T297 VanDerWaalsContact SD-CB 3.58Å; M1-T297 HydrophobicContact SD-CG2 3.56Å; M1-T297 VanDerWaalsContact SD-CG2 3.56Å; M1-T297 PolarHBondContact SD-OG1 3.14Å; R293-T297 PolarHBondContact O-N 2.91Å; R293-T297 PolarHBondContact O-OG1 3.47Å; I294-T297 PolarHBondContact O-N 3.38Å; T297-R299 PolarHBondContact O-N 3Å; T297-E300 PolarHBondContact O-N 3.1Å; T297-S301 PolarHBondContact O-N 3.17Å; T297-S301 VanDerWaalsContact O-N 3.08Å; T297-S301 PolarHBondContact O-OG 3.47Å
298C66.7Low62.7Low8 Ų8110.3 Ų110.35%0.05454%0.536CS..Hα-helixtrans-63.5-32.7171.5-750000111.9T275 I294 E296 F302T275-C298 HydrophobicContact CG2-CB 3.83Å; I294-C298 PolarHBondContact O-N 3.3Å; I294-C298 PolarHBondContact O-SG 3.32Å; E296-C298 VanDerWaalsContact C-N 3.33Å; E296-C298 PolarHBondContact O-N 2.92Å; C298-F302 PolarHBondContact O-N 3.2Å
299R69.2Low62.2Low198 Ų198114.7 Ų114.775%0.74755%0.548SS*.Hα-helixtrans-76.2-34.6177-162.4179.3-175-179.91.2112.6K295 E296 T297 S301 F302K295-R299 WeakPolarHBondContact O-CB 3.48Å; K295-R299 PolarHBondContact O-N 2.69Å; E296-R299 CarbonylContact O-C 3.46Å; E296-R299 WeakPolarHBondContact O-CA 3.48Å; E296-R299 VanDerWaalsContact O-CB 3.3Å; E296-R299 WeakPolarHBondContact O-CB 3.45Å; E296-R299 PolarHBondContact O-N 3.49Å; T297-R299 PolarHBondContact O-N 3Å; R299-S301 VanDerWaalsContact C-N 3.34Å; R299-F302 WeakPolarHBondContact O-CB 3.33Å; R299-F302 PolarHBondContact O-N 3.46Å
300E68.7Low61.8Low119 Ų119115 Ų11556%0.55655%0.549SS*.Hα-helixtrans-64.2-41.9171.7-71.5177.5171.900111.4E296 T297 F302 M303 Q304E296-E300 PolarHBondContact O-N 3Å; T297-E300 PolarHBondContact O-N 3.1Å; E300-F302 PolarHBondContact O-N 2.88Å; E300-M303 PolarHBondContact O-N 3.49Å; E300-Q304 PolarHBondContact O-N 3.44Å
301S65.2Low61.6Low38 Ų38121.3 Ų121.327%0.26657%0.574SS.*Hα-helixtrans-58.2-31.2173.6-52.10000111.6T297 R299 M303T297-S301 PolarHBondContact O-N 3.17Å; T297-S301 VanDerWaalsContact O-N 3.08Å; T297-S301 PolarHBondContact O-OG 3.47Å; R299-S301 VanDerWaalsContact C-N 3.34Å; S301-M303 VanDerWaalsContact C-N 3.29Å; S301-M303 PolarHBondContact O-N 2.85Å
302F59Low61.6Low130 Ų130122.2 Ų122.257%0.5758%0.582SS**Hα-helixtrans-62.9-32.8174.3-158-79.4000113Y271 C298 R299 E300Y271-F302 HydrophobicContact CD1-CD2 4.26Å; Y271-F302 AromaticContact CD2-CD2 3.24Å; Y271-F302 HydrophobicContact CD2-CD2 3.24Å; Y271-F302 AromaticContact CD2-CE2 3.4Å; Y271-F302 HydrophobicContact CD2-CE2 3.4Å; Y271-F302 HydrophobicContact CD2-CG 4.48Å; Y271-F302 HydrophobicContact CE1-CB 4.35Å; Y271-F302 HydrophobicContact CE1-CD2 4.1Å; Y271-F302 AromaticContact CE2-CD2 3Å; Y271-F302 HydrophobicContact CE2-CD2 3Å; Y271-F302 AromaticContact CE2-CE2 3.25Å; Y271-F302 HydrophobicContact CE2-CE2 3.25Å; Y271-F302 HydrophobicContact CE2-CG 4Å; Y271-F302 HydrophobicContact CE2-CZ 4.41Å; Y271-F302 AromaticContact CG-CD2 3.86Å; Y271-F302 HydrophobicContact CG-CD2 3.86Å; Y271-F302 HydrophobicContact CG-CE2 4.37Å; Y271-F302 AromaticContact CZ-CD2 3.48Å; Y271-F302 VanDerWaalsContact CZ-CD2 3.48Å; C298-F302 PolarHBondContact O-N 3.2Å; R299-F302 WeakPolarHBondContact O-CB 3.33Å; R299-F302 PolarHBondContact O-N 3.46Å; E300-F302 PolarHBondContact O-N 2.88Å
303M57.1Low62.2Low161 Ų161118.4 Ų118.479%0.79357%0.569SS**Hα-helixtrans-91.2-22.7-171.7-65-77.4-115.900113.6E300 S301E300-M303 PolarHBondContact O-N 3.49Å; S301-M303 VanDerWaalsContact C-N 3.29Å; S301-M303 PolarHBondContact O-N 2.85Å
304Q57.9Low62.6Low160 Ų160114.6 Ų114.675%0.74856%0.563SS**Hα-helixtrans-88.7-15.3-172.1-77.8-176.9-11.800115.1E300 D306E300-Q304 PolarHBondContact O-N 3.44Å; Q304-D306 PolarHBondContact O-N 2.85Å; Q304-D306 VanDerWaalsContact O-N 3.16Å
305D53.2Low63.2Low101 Ų101120.8 Ų120.854%0.5460%0.595SS.*  trans-90.927.5-155.6-121.511.9000116.6K307D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 3.24Å
306D41.9Very low63.8Low153 Ų153115.8 Ų115.882%0.81858%0.575SS**  trans-837.7-179.6-98-13.9000115.1Q304 S308Q304-D306 PolarHBondContact O-N 2.85Å; Q304-D306 VanDerWaalsContact O-N 3.16Å; D306-S308 PolarHBondContact O-N 3.01Å
307K45.1Very low64.4Low181 Ų181110.1 Ų110.179%0.78755%0.548SS*.  trans-90.9104175.8-69.6-172.9-179.4177.80110.6D305 E309D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 3.24Å; K307-E309 PolarHBondContact O-N 3.45Å
308S44.3Very low65.2Low119 Ų119112.7 Ų112.783%0.83256%0.557SS**  trans-63.584162.164.50000109.1D306 Q310D306-S308 PolarHBondContact O-N 3.01Å; S308-Q310 PolarHBondContact O-N 3.37Å
309E53.2Low66Low171 Ų171119.2 Ų119.280%0.79958%0.584SS**PPolyproline II helixtrans-61.5123.6169.9-74.1-168160.500108.4K307 K311K307-E309 PolarHBondContact O-N 3.45Å; E309-K311 PolarHBondContact O-N 2.93Å; E309-K311 VanDerWaalsContact O-N 3.14Å
310Q52.8Low66.8Low188 Ų188110.9 Ų110.988%0.87956%0.555SS**PPolyproline II helixtrans-55.4122.4171.3-76.4-176.7-13.500107.9S308 P312S308-Q310 PolarHBondContact O-N 3.37Å; Q310-P312 VanDerWaalsContact O-CD 3.23Å; Q310-P312 WeakPolarHBondContact O-CD 3.38Å; Q310-P312 VanDerWaalsContact O-N 3.12Å
311K64.7Low67.7Low190 Ų190108.8 Ų108.883%0.82655%0.552SS**PPolyproline II helixtrans-63.6116.4177.7-68.9-175.5-178.8-179.40108E309E309-K311 PolarHBondContact O-N 2.93Å; E309-K311 VanDerWaalsContact O-N 3.14Å
312P69.6Low68.8Low53 Ų53108.5 Ų108.534%0.34455%0.547SS..PPolyproline II helixtrans-63.8147.7178.620.3-21000109Q310 D316 T440 V441 I444Q310-P312 VanDerWaalsContact O-CD 3.23Å; Q310-P312 WeakPolarHBondContact O-CD 3.38Å; Q310-P312 VanDerWaalsContact O-N 3.12Å; P312-D316 VanDerWaalsContact CA-OD2 3.3Å; P312-D316 WeakPolarHBondContact CA-OD2 3.42Å; P312-T440 WeakPolarHBondContact CG-O 3.36Å; P312-V441 HydrophobicContact CB-CG1 4.09Å; P312-I444 VanDerWaalsContact C-CD1 3.42Å; P312-I444 HydrophobicContact CB-CD1 3.65Å; P312-I444 HydrophobicContact CG-CD1 3.72Å; P312-I444 WeakPolarHBondContact O-CD1 3.25Å
313T81.2Confident70.3Confident71 Ų71102.3 Ų102.344%0.43652%0.52SS..  trans-114.2161.1-177.561.50000110.6L315 D316T313-L315 PolarHBondContact O-N 3.13Å; T313-L315 VanDerWaalsContact O-N 3.16Å; T313-D316 PolarHBondContact N-OD2 3.4Å; T313-D316 WeakPolarHBondContact O-CB 3.41Å; T313-D316 PolarHBondContact O-N 3.28Å
314V79.1Confident71.9Confident74 Ų74100.7 Ų100.745%0.44851%0.505SS..G310 helixtrans-57.8-30.4177.6-179.30000111.7D316 L317 I444 T448V314-D316 PolarHBondContact O-N 3.16Å; V314-L317 HydrophobicContact CG1-CD1 4.3Å; V314-L317 WeakPolarHBondContact O-CB 3.25Å; V314-L317 PolarHBondContact O-N 3.38Å; V314-L317 VanDerWaalsContact O-N 3.14Å; V314-I444 HydrophobicContact CB-CG2 4.37Å; V314-I444 HydrophobicContact CG2-CG2 3.86Å; V314-T448 HydrophobicContact CG1-CG2 4.34Å
315L83.5Confident73.6Confident140 Ų14098.1 Ų98.173%0.73349%0.491SS*.G310 helixtrans-61.6-25175.7-63.1173.5000112.5T313 L317 F318T313-L315 PolarHBondContact O-N 3.13Å; T313-L315 VanDerWaalsContact O-N 3.16Å; L315-L317 PolarHBondContact O-N 3.45Å; L315-F318 PolarHBondContact O-N 3.4Å; L315-F318 VanDerWaalsContact O-N 3.15Å
316D84.3Confident75.5Confident20 Ų2093.5 Ų93.511%0.10747%0.467CS..G310 helixtrans-66.1-24.6178.3-61.6-29000112.7P312 T313 V314 F318 K319 L323 V441P312-D316 VanDerWaalsContact CA-OD2 3.3Å; P312-D316 WeakPolarHBondContact CA-OD2 3.42Å; T313-D316 PolarHBondContact N-OD2 3.4Å; T313-D316 WeakPolarHBondContact O-CB 3.41Å; T313-D316 PolarHBondContact O-N 3.28Å; V314-D316 PolarHBondContact O-N 3.16Å; D316-F318 PolarHBondContact O-N 3.45Å; D316-K319 HydrophobicContact CB-CD 4.23Å; D316-K319 PolarHBondContact O-N 3.43Å; D316-K319 WeakPolarHBondContact OD1-CD 3.48Å; D316-K319 WeakPolarHBondContact OD1-CE 3.15Å; D316-K319 IonicContact OD1-NZ 3.84Å; D316-K319 PolarHBondContact OD1-NZ 3.26Å; D316-L323 WeakPolarHBondContact O-CD2 3.43Å; D316-V441 HydrophobicContact CB-CG1 3.98Å
317L83.2Confident77.9Confident0 Ų086.3 Ų86.30%043%0.428CS..G310 helixtrans-66.1-19.3176-64.1175.1000113.3V314 L315 L323 R324 T327 Y437 V441 I444 T448V314-L317 HydrophobicContact CG1-CD1 4.3Å; V314-L317 WeakPolarHBondContact O-CB 3.25Å; V314-L317 PolarHBondContact O-N 3.38Å; V314-L317 VanDerWaalsContact O-N 3.14Å; L315-L317 PolarHBondContact O-N 3.45Å; L317-L323 WeakPolarHBondContact O-CG 3.39Å; L317-R324 PolarHBondContact O-N 2.96Å; L317-T327 HydrophobicContact CB-CG2 4.17Å; L317-T327 HydrophobicContact CD1-CG2 4.21Å; L317-Y437 HydrophobicContact CD2-CD1 4.33Å; L317-Y437 HydrophobicContact CD2-CE1 4.03Å; L317-V441 HydrophobicContact CD2-CB 4.02Å; L317-V441 HydrophobicContact CD2-CG2 4.18Å; L317-I444 HydrophobicContact CD1-CG2 3.98Å; L317-I444 HydrophobicContact CG-CG2 4.3Å; L317-T448 HydrophobicContact CD1-CG2 4.33Å
318F88.3Confident80.2Confident92 Ų9282.6 Ų82.640%0.40442%0.416SS..G310 helixtrans-109.32.1-176.1-64.4-88.2000113.1L315 D316 R324 T327 L328L315-F318 PolarHBondContact O-N 3.4Å; L315-F318 VanDerWaalsContact O-N 3.15Å; D316-F318 PolarHBondContact O-N 3.45Å; F318-R324 HydrophobicContact CD1-CB 4.48Å; F318-R324 HydrophobicContact CD1-CG 3.9Å; F318-T327 HydrophobicContact CZ-CG2 4.24Å; F318-L328 HydrophobicContact CE1-CD2 4.22Å; F318-L328 HydrophobicContact CE1-CG 4.47Å
319K83.8Confident82.6Confident144 Ų14477.9 Ų77.963%0.62638%0.382SS*.SBendtrans-63.1-44.5-177.3-82.5179.3169170.80113.3D316D316-K319 HydrophobicContact CB-CD 4.23Å; D316-K319 PolarHBondContact O-N 3.43Å; D316-K319 WeakPolarHBondContact OD1-CD 3.48Å; D316-K319 WeakPolarHBondContact OD1-CE 3.15Å; D316-K319 IonicContact OD1-NZ 3.84Å; D316-K319 PolarHBondContact OD1-NZ 3.26Å
320T87.6Confident84.5Confident23 Ų2369.8 Ų69.814%0.14134%0.344CS..SBendtrans-108.2141.8-174.543.80000111.4I322 L323 R324 I504 E508T320-I322 VanDerWaalsContact C-N 3.26Å; T320-I322 PolarHBondContact O-N 3.38Å; T320-L323 PolarHBondContact O-N 3.01Å; T320-L323 WeakPolarHBondContact OG1-CB 2.96Å; T320-R324 VanDerWaalsContact O-CB 3.28Å; T320-R324 WeakPolarHBondContact O-CB 3.11Å; T320-R324 PolarHBondContact O-N 3.43Å; T320-I504 HydrophobicContact CG2-CG2 3.78Å; T320-E508 WeakPolarHBondContact CB-OE1 3.24Å; T320-E508 HydrophobicContact CG2-CG 3.9Å; T320-E508 WeakPolarHBondContact CG2-OE1 3.39Å
321P87.2Confident86.5Confident76 Ų7661.6 Ų61.649%0.49431%0.307SS..Hα-helixtrans-60.1-35.6-177.423.1-35.2000113K325 E508P321-K325 WeakPolarHBondContact O-CB 3.25Å; P321-K325 PolarHBondContact O-N 3.13Å; P321-E508 WeakPolarHBondContact CD-OE1 3.41Å
322I88.7Confident87.9Confident32 Ų3255.6 Ų55.616%0.16428%0.281CS..Hα-helixtrans-70.4-49.6179-66.2170.7000110.5T320 R324 K325 I326 M507 E508 Q511 K512T320-I322 VanDerWaalsContact C-N 3.26Å; T320-I322 PolarHBondContact O-N 3.38Å; I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 PolarHBondContact O-N 2.88Å; I322-K325 PolarHBondContact O-N 3.35Å; I322-I326 HydrophobicContact CG2-CD1 4.01Å; I322-I326 PolarHBondContact O-N 3.05Å; I322-M507 HydrophobicContact CG2-CE 4.38Å; I322-E508 HydrophobicContact CD1-CB 4.3Å; I322-E508 HydrophobicContact CD1-CG 4.26Å; I322-Q511 HydrophobicContact CD1-CB 4.24Å; I322-Q511 HydrophobicContact CG2-CB 4.17Å; I322-K512 HydrophobicContact CD1-CG 4.13Å
323L88.5Confident89.1Confident0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-61.8-43.1177.8-173.962000110.6D316 L317 T320 K325 I326 T327 Y437 V441 I504 M507D316-L323 WeakPolarHBondContact O-CD2 3.43Å; L317-L323 WeakPolarHBondContact O-CG 3.39Å; T320-L323 PolarHBondContact O-N 3.01Å; T320-L323 WeakPolarHBondContact OG1-CB 2.96Å; L323-K325 PolarHBondContact O-N 2.84Å; L323-I326 PolarHBondContact O-N 2.92Å; L323-T327 WeakPolarHBondContact O-CB 3.33Å; L323-T327 PolarHBondContact O-N 3.36Å; L323-T327 PolarHBondContact O-OG1 3.5Å; L323-Y437 HydrophobicContact CD1-CD1 3.9Å; L323-Y437 HydrophobicContact CD1-CE1 4.14Å; L323-V441 HydrophobicContact CD2-CG2 4.25Å; L323-I504 HydrophobicContact CD2-CD1 4.37Å; L323-I504 HydrophobicContact CD2-CG1 4.4Å; L323-I504 HydrophobicContact CD2-CG2 4.18Å; L323-M507 HydrophobicContact CB-SD 4.41Å; L323-M507 HydrophobicContact CD1-CE 4.04Å; L323-M507 HydrophobicContact CD1-SD 3.79Å
324R92.4Very high89.7Confident127 Ų12749.8 Ų49.848%0.47924%0.244SC..Hα-helixtrans-56.7-47.1174.3176.417464.4-176.7-0.6112.2L317 F318 T320 I322 I326 T327 L328L317-R324 PolarHBondContact O-N 2.96Å; F318-R324 HydrophobicContact CD1-CB 4.48Å; F318-R324 HydrophobicContact CD1-CG 3.9Å; T320-R324 VanDerWaalsContact O-CB 3.28Å; T320-R324 WeakPolarHBondContact O-CB 3.11Å; T320-R324 PolarHBondContact O-N 3.43Å; I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 PolarHBondContact O-N 2.88Å; R324-I326 VanDerWaalsContact C-N 3.35Å; R324-T327 PolarHBondContact O-N 3.18Å; R324-L328 HydrophobicContact CG-CD1 4.02Å; R324-L328 WeakPolarHBondContact O-CB 3.46Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.32Å; R324-L328 PolarHBondContact O-N 3.41Å
325K92.7Very high90.4Very high106 Ų10648.3 Ų48.346%0.46123%0.233SC..Hα-helixtrans-60.8-45.4177.8-177.8-174.3174.3-1680111P321 I322 L323 L329 L491P321-K325 WeakPolarHBondContact O-CB 3.25Å; P321-K325 PolarHBondContact O-N 3.13Å; I322-K325 PolarHBondContact O-N 3.35Å; L323-K325 PolarHBondContact O-N 2.84Å; K325-L329 HydrophobicContact CG-CD1 3.93Å; K325-L329 WeakPolarHBondContact O-CB 3.33Å; K325-L329 VanDerWaalsContact O-CG 3.32Å; K325-L329 WeakPolarHBondContact O-CG 3.49Å; K325-L329 PolarHBondContact O-N 2.78Å; K325-L491 PolarHBondContact NZ-O 3.3Å
326I92.4Very high90.9Very high4 Ų441.7 Ų41.72%0.02120%0.199CC..Hα-helixtrans-65-46.5179.4-76.4168.4000111I322 L323 R324 L328 L329 I330 L436 L492 P493 M507 Q511I322-I326 HydrophobicContact CG2-CD1 4.01Å; I322-I326 PolarHBondContact O-N 3.05Å; L323-I326 PolarHBondContact O-N 2.92Å; R324-I326 VanDerWaalsContact C-N 3.35Å; I326-L328 PolarHBondContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 3.49Å; I326-I330 HydrophobicContact CG2-CD1 3.58Å; I326-I330 HydrophobicContact CG2-CG1 4.19Å; I326-I330 WeakPolarHBondContact O-CB 3.31Å; I326-I330 WeakPolarHBondContact O-CG1 3.08Å; I326-I330 PolarHBondContact O-N 2.84Å; I326-L436 HydrophobicContact CD1-CD2 4.46Å; I326-L436 HydrophobicContact CG2-CB 4.18Å; I326-L436 HydrophobicContact CG2-CD1 4.45Å; I326-L492 HydrophobicContact CG1-CD2 4.33Å; I326-P493 HydrophobicContact CD1-CG 4.1Å; I326-M507 HydrophobicContact CB-CE 4.46Å; I326-M507 HydrophobicContact CD1-CE 3.22Å; I326-M507 HydrophobicContact CG1-CE 4.4Å; I326-M507 HydrophobicContact CG2-CE 4.48Å; I326-Q511 VanDerWaalsContact CD1-OE1 3.26Å
327T92.3Very high91.4Very high1 Ų140.7 Ų40.71%0.00619%0.193CC..Hα-helixtrans-57.2-51177.4-55.90000110.6L317 F318 L323 R324 L329 T331 Y437L317-T327 HydrophobicContact CB-CG2 4.17Å; L317-T327 HydrophobicContact CD1-CG2 4.21Å; F318-T327 HydrophobicContact CZ-CG2 4.24Å; L323-T327 WeakPolarHBondContact O-CB 3.33Å; L323-T327 PolarHBondContact O-N 3.36Å; L323-T327 PolarHBondContact O-OG1 3.5Å; R324-T327 PolarHBondContact O-N 3.18Å; T327-L329 PolarHBondContact O-N 3.43Å; T327-T331 WeakPolarHBondContact O-CB 3.05Å; T327-T331 PolarHBondContact O-N 3.34Å; T327-T331 PolarHBondContact O-OG1 3.46Å; T327-Y437 WeakPolarHBondContact CA-OH 3.19Å
328L94Very high91.8Very high104 Ų10440.8 Ų40.855%0.54519%0.194SC..Hα-helixtrans-60.9-43.8179.5-70.9172.3000112.8F318 R324 I326 F332F318-L328 HydrophobicContact CE1-CD2 4.22Å; F318-L328 HydrophobicContact CE1-CG 4.47Å; R324-L328 HydrophobicContact CG-CD1 4.02Å; R324-L328 WeakPolarHBondContact O-CB 3.46Å; R324-L328 VanDerWaalsContact O-CG 3.3Å; R324-L328 WeakPolarHBondContact O-CG 3.32Å; R324-L328 PolarHBondContact O-N 3.41Å; I326-L328 PolarHBondContact O-N 3.14Å; L328-F332 WeakPolarHBondContact O-CB 3.45Å; L328-F332 PolarHBondContact O-N 3.12Å
329L94.8Very high92Very high20 Ų2037.6 Ų37.611%0.10518%0.182CC..Hα-helixtrans-68.6-47.9179.7-73.7172.6000112.3K325 I326 T327 T331 F332 V333 L488 L491 L492K325-L329 HydrophobicContact CG-CD1 3.93Å; K325-L329 WeakPolarHBondContact O-CB 3.33Å; K325-L329 VanDerWaalsContact O-CG 3.32Å; K325-L329 WeakPolarHBondContact O-CG 3.49Å; K325-L329 PolarHBondContact O-N 2.78Å; I326-L329 PolarHBondContact O-N 3.49Å; T327-L329 PolarHBondContact O-N 3.43Å; L329-T331 VanDerWaalsContact C-N 3.35Å; L329-T331 PolarHBondContact O-N 3.12Å; L329-F332 PolarHBondContact O-N 3.33Å; L329-V333 WeakPolarHBondContact O-CB 3.23Å; L329-V333 VanDerWaalsContact O-CG2 3.3Å; L329-V333 WeakPolarHBondContact O-CG2 3.18Å; L329-V333 PolarHBondContact O-N 3.34Å; L329-L488 HydrophobicContact CD2-CB 4.09Å; L329-L488 HydrophobicContact CD2-CD2 4.4Å; L329-L491 HydrophobicContact CD1-CB 3.77Å; L329-L491 HydrophobicContact CD2-CD1 4.43Å; L329-L492 HydrophobicContact CB-CD2 3.77Å; L329-L492 HydrophobicContact CB-CG 4.28Å; L329-L492 HydrophobicContact CD1-CD2 3.96Å; L329-L492 HydrophobicContact CD1-CG 4.29Å
330I93.5Very high92.3Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-61.1-45.8177.6-73178.4000110.1I326 F332 V333 W334 L429 A433 L436 Y437 L492I326-I330 HydrophobicContact CG2-CD1 3.58Å; I326-I330 HydrophobicContact CG2-CG1 4.19Å; I326-I330 WeakPolarHBondContact O-CB 3.31Å; I326-I330 WeakPolarHBondContact O-CG1 3.08Å; I326-I330 PolarHBondContact O-N 2.84Å; I330-F332 VanDerWaalsContact C-N 3.34Å; I330-F332 PolarHBondContact O-N 2.96Å; I330-V333 PolarHBondContact O-N 2.91Å; I330-W334 HydrophobicContact CG2-CE3 3.9Å; I330-W334 HydrophobicContact CG2-CZ3 4.35Å; I330-W334 WeakPolarHBondContact O-CB 3.2Å; I330-W334 PolarHBondContact O-N 3.42Å; I330-L429 HydrophobicContact CG2-CD1 4.45Å; I330-A433 HydrophobicContact CD1-CB 4.44Å; I330-A433 HydrophobicContact CG2-CB 4.39Å; I330-L436 HydrophobicContact CD1-CB 3.96Å; I330-L436 HydrophobicContact CD1-CD1 3.48Å; I330-L436 VanDerWaalsContact CD1-CD1 3.48Å; I330-L436 HydrophobicContact CD1-CG 4.37Å; I330-L436 HydrophobicContact CG1-CD1 4.04Å; I330-Y437 HydrophobicContact CD1-CD2 4.47Å; I330-Y437 HydrophobicContact CD1-CE2 3.88Å; I330-Y437 HydrophobicContact CG2-CE2 4.31Å; I330-L492 HydrophobicContact CG1-CD1 4.5Å; I330-L492 HydrophobicContact CG1-CD2 4.25Å
331T94.1Very high92.5Very high16 Ų1630.7 Ų30.710%0.09815%0.149CC..Hα-helixtrans-61.5-42.2179.5-65.30000111.5T327 L329 W334 L335 I452T327-T331 WeakPolarHBondContact O-CB 3.05Å; T327-T331 PolarHBondContact O-N 3.34Å; T327-T331 PolarHBondContact O-OG1 3.46Å; L329-T331 VanDerWaalsContact C-N 3.35Å; L329-T331 PolarHBondContact O-N 3.12Å; T331-W334 WeakPolarHBondContact O-CB 3.32Å; T331-W334 PolarHBondContact O-N 2.72Å; T331-L335 WeakPolarHBondContact O-CB 3.37Å; T331-L335 PolarHBondContact O-N 2.96Å; T331-I452 HydrophobicContact CG2-CB 4.07Å; T331-I452 HydrophobicContact CG2-CD1 3.52Å; T331-I452 HydrophobicContact CG2-CG1 4.39Å; T331-I452 HydrophobicContact CG2-CG2 4Å
332F95Very high92.5Very high65 Ų6527.9 Ų27.929%0.28513%0.131SC..Hα-helixtrans-63.9-45175.4179-99.2000112.1L328 L329 I330 W334 L335 V336 I484 A485 L488L328-F332 WeakPolarHBondContact O-CB 3.45Å; L328-F332 PolarHBondContact O-N 3.12Å; L329-F332 PolarHBondContact O-N 3.33Å; I330-F332 VanDerWaalsContact C-N 3.34Å; I330-F332 PolarHBondContact O-N 2.96Å; F332-W334 VanDerWaalsContact C-N 3.28Å; F332-W334 PolarHBondContact O-N 3.21Å; F332-L335 WeakPolarHBondContact O-CB 3.29Å; F332-L335 PolarHBondContact O-N 3.45Å; F332-V336 HydrophobicContact CD1-CG2 4.31Å; F332-V336 HydrophobicContact CE1-CG2 3.77Å; F332-V336 HydrophobicContact CE2-CG2 4.03Å; F332-V336 HydrophobicContact CZ-CG2 3.63Å; F332-V336 WeakPolarHBondContact O-CG2 3.44Å; F332-V336 PolarHBondContact O-N 3.08Å; F332-I484 HydrophobicContact CE1-CG2 4.29Å; F332-I484 HydrophobicContact CZ-CG2 4.34Å; F332-A485 HydrophobicContact CD1-CB 4.5Å; F332-A485 HydrophobicContact CE1-CB 4.07Å; F332-L488 HydrophobicContact CD1-CD1 3.67Å; F332-L488 HydrophobicContact CE1-CD1 3.55Å; F332-L488 HydrophobicContact CZ-CD1 4.35Å
333V95.2Very high92.4Very high0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-60.2-41.6175.7168.20000110.8L329 I330 V336 N337 L386 M390 L429 A485 A489L329-V333 WeakPolarHBondContact O-CB 3.23Å; L329-V333 VanDerWaalsContact O-CG2 3.3Å; L329-V333 WeakPolarHBondContact O-CG2 3.18Å; L329-V333 PolarHBondContact O-N 3.34Å; I330-V333 PolarHBondContact O-N 2.91Å; V333-V336 PolarHBondContact O-N 3.17Å; V333-N337 WeakPolarHBondContact O-CB 3.38Å; V333-N337 PolarHBondContact O-N 3.43Å; V333-L386 HydrophobicContact CG1-CD1 4.42Å; V333-L386 HydrophobicContact CG1-CD2 4.21Å; V333-M390 HydrophobicContact CG1-CE 4.13Å; V333-M390 HydrophobicContact CG1-SD 3.59Å; V333-M390 VanDerWaalsContact CG1-SD 3.59Å; V333-L429 HydrophobicContact CB-CD1 4.46Å; V333-L429 HydrophobicContact CG1-CD1 3.74Å; V333-L429 HydrophobicContact CG1-CD2 4.13Å; V333-A485 HydrophobicContact CG2-CB 4.46Å; V333-A489 HydrophobicContact CG2-CB 4.49Å
334W93.7Very high92.3Very high1 Ų126.5 Ų26.50%0.00412%0.123CC..Hα-helixtrans-61.5-47.5176.8-147.9-53.2000111.8I330 T331 F332 N337 S338 L429 Y430 A433 I446 A453I330-W334 HydrophobicContact CG2-CE3 3.9Å; I330-W334 HydrophobicContact CG2-CZ3 4.35Å; I330-W334 WeakPolarHBondContact O-CB 3.2Å; I330-W334 PolarHBondContact O-N 3.42Å; T331-W334 WeakPolarHBondContact O-CB 3.32Å; T331-W334 PolarHBondContact O-N 2.72Å; F332-W334 VanDerWaalsContact C-N 3.28Å; F332-W334 PolarHBondContact O-N 3.21Å; W334-N337 PolarHBondContact O-N 2.78Å; W334-S338 WeakPolarHBondContact O-CB 3.14Å; W334-S338 PolarHBondContact O-N 3.38Å; W334-S338 PolarHBondContact O-OG 3.14Å; W334-S338 VanDerWaalsContact O-OG 3.08Å; W334-L429 HydrophobicContact CB-CD2 3.87Å; W334-L429 HydrophobicContact CD2-CD2 3.69Å; W334-L429 HydrophobicContact CD2-CG 4.29Å; W334-L429 HydrophobicContact CE3-CD2 3.86Å; W334-L429 HydrophobicContact CE3-CG 3.98Å; W334-L429 HydrophobicContact CG-CD2 3.72Å; W334-L429 HydrophobicContact CZ3-CG 4.29Å; W334-Y430 AromaticContact CH2-CD1 3.69Å; W334-Y430 HydrophobicContact CH2-CD1 3.69Å; W334-Y430 AromaticContact CH2-CE1 3.66Å; W334-Y430 HydrophobicContact CH2-CE1 3.66Å; W334-Y430 HydrophobicContact CH2-CG 4.23Å; W334-Y430 AromaticContact CZ2-CD1 3.88Å; W334-Y430 HydrophobicContact CZ2-CD1 3.88Å; W334-Y430 HydrophobicContact CZ2-CD2 4.41Å; W334-Y430 AromaticContact CZ2-CE1 3.42Å; W334-Y430 HydrophobicContact CZ2-CE1 3.42Å; W334-Y430 VanDerWaalsContact CZ2-CE1 3.42Å; W334-Y430 HydrophobicContact CZ2-CE2 4.01Å; W334-Y430 HydrophobicContact CZ2-CG 4.35Å; W334-Y430 AromaticContact CZ2-CZ 3.48Å; W334-Y430 VanDerWaalsContact CZ2-CZ 3.48Å; W334-A433 HydrophobicContact CH2-CB 4.49Å; W334-A433 HydrophobicContact CZ3-CB 3.77Å; W334-I446 HydrophobicContact CH2-CG2 3.79Å; W334-I446 HydrophobicContact CZ3-CG2 4.4Å; W334-A453 HydrophobicContact CB-CB 4.46Å; W334-A453 HydrophobicContact CG-CB 4.24Å
335L93.7Very high92Very high44 Ų4420.5 Ų20.523%0.2310%0.101CC..Hα-helixtrans-55.9-55176.5-178.5162.9000110.5T331 F332 N337 S338 T339 I452 C456T331-L335 WeakPolarHBondContact O-CB 3.37Å; T331-L335 PolarHBondContact O-N 2.96Å; F332-L335 WeakPolarHBondContact O-CB 3.29Å; F332-L335 PolarHBondContact O-N 3.45Å; L335-N337 VanDerWaalsContact C-N 3.34Å; L335-N337 PolarHBondContact O-N 3.23Å; L335-S338 PolarHBondContact O-N 2.94Å; L335-T339 WeakPolarHBondContact O-CB 3.33Å; L335-T339 PolarHBondContact O-N 3.28Å; L335-T339 PolarHBondContact O-OG1 3.22Å; L335-T339 VanDerWaalsContact O-OG1 3.07Å; L335-I452 HydrophobicContact CD1-CG2 4.26Å; L335-C456 WeakPolarHBondContact CD1-SG 3.39Å; L335-C456 HydrophobicContact CG-CB 4.08Å; L335-C456 VanDerWaalsContact CG-SG 3.52Å
336V94.4Very high91.5Very high0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-61-44.7-179.1171.10000111.1F332 V333 T339 V340 M390 L481 A485F332-V336 HydrophobicContact CD1-CG2 4.31Å; F332-V336 HydrophobicContact CE1-CG2 3.77Å; F332-V336 HydrophobicContact CE2-CG2 4.03Å; F332-V336 HydrophobicContact CZ-CG2 3.63Å; F332-V336 WeakPolarHBondContact O-CG2 3.44Å; F332-V336 PolarHBondContact O-N 3.08Å; V333-V336 PolarHBondContact O-N 3.17Å; V336-T339 PolarHBondContact O-N 2.76Å; V336-V340 HydrophobicContact CG1-CG2 4.17Å; V336-V340 VanDerWaalsContact O-CG2 3.26Å; V336-V340 WeakPolarHBondContact O-CG2 3.14Å; V336-V340 PolarHBondContact O-N 2.72Å; V336-M390 HydrophobicContact CG1-CE 4.09Å; V336-L481 HydrophobicContact CG1-CB 3.97Å; V336-L481 WeakPolarHBondContact CG1-O 3.1Å; V336-L481 HydrophobicContact CG2-CB 4.31Å; V336-A485 HydrophobicContact CB-CB 3.93Å; V336-A485 HydrophobicContact CG1-CB 3.74Å; V336-A485 HydrophobicContact CG2-CB 4.14Å
337N94Very high90.9Very high0 Ų016.8 Ų16.80%08%0.084CC..Hα-helixtrans-63.5-45-178.9-166.51.6000111.5V333 W334 L335 V340 Y341 M390 I422 S425 Y426 L429V333-N337 WeakPolarHBondContact O-CB 3.38Å; V333-N337 PolarHBondContact O-N 3.43Å; W334-N337 PolarHBondContact O-N 2.78Å; L335-N337 VanDerWaalsContact C-N 3.34Å; L335-N337 PolarHBondContact O-N 3.23Å; N337-V340 PolarHBondContact O-N 3.48Å; N337-Y341 WeakPolarHBondContact O-CB 3.18Å; N337-Y341 PolarHBondContact O-N 3.12Å; N337-M390 HydrophobicContact CB-CE 4.22Å; N337-I422 WeakPolarHBondContact OD1-CG2 3.49Å; N337-I422 PolarHBondContact OD1-O 3.42Å; N337-S425 VanDerWaalsContact CG-OG 3.24Å; N337-S425 VanDerWaalsContact ND2-C 3.32Å; N337-S425 PolarHBondContact ND2-O 3.04Å; N337-S425 PolarHBondContact ND2-OG 2.76Å; N337-S425 PolarHBondContact OD1-OG 3.32Å; N337-Y426 HydrophobicContact CB-CD2 4.34Å; N337-Y426 VanDerWaalsContact ND2-CA 3.27Å; N337-Y426 WeakPolarHBondContact ND2-CA 3.29Å; N337-Y426 PolarHBondContact ND2-N 2.9Å; N337-Y426 VanDerWaalsContact ND2-N 3.2Å; N337-Y426 WeakPolarHBondContact OD1-CD2 3.36Å; N337-L429 HydrophobicContact CB-CD2 4.49Å
338S92.2Very high90.1Very high2 Ų216.8 Ų16.81%0.0148%0.084CC..Hα-helixtrans-63.4-41175.1-63.10000112.5W334 L335 N342 Y426 A453W334-S338 WeakPolarHBondContact O-CB 3.14Å; W334-S338 PolarHBondContact O-N 3.38Å; W334-S338 PolarHBondContact O-OG 3.14Å; W334-S338 VanDerWaalsContact O-OG 3.08Å; L335-S338 PolarHBondContact O-N 2.94Å; S338-N342 WeakPolarHBondContact O-CB 3.32Å; S338-N342 PolarHBondContact O-N 3.14Å; S338-N342 PolarHBondContact O-ND2 2.79Å; S338-Y426 WeakPolarHBondContact OG-CE2 3.39Å; S338-Y426 PolarHBondContact OG-OH 3.05Å; S338-A453 WeakPolarHBondContact OG-CB 3.46Å
339T90.8Very high88.9Confident24 Ų2414.1 Ų14.115%0.1477%0.073CC..Hα-helixtrans-62.3-51.8173.9-620000110.8L335 V336 Y341 N342 G343 E460L335-T339 WeakPolarHBondContact O-CB 3.33Å; L335-T339 PolarHBondContact O-N 3.28Å; L335-T339 PolarHBondContact O-OG1 3.22Å; L335-T339 VanDerWaalsContact O-OG1 3.07Å; V336-T339 PolarHBondContact O-N 2.76Å; T339-Y341 VanDerWaalsContact C-N 3.3Å; T339-Y341 PolarHBondContact O-N 2.9Å; T339-N342 PolarHBondContact O-N 3.43Å; T339-G343 WeakPolarHBondContact O-CA 3.33Å; T339-G343 PolarHBondContact O-N 3.45Å; T339-E460 WeakPolarHBondContact CG2-OE1 3.46Å
340V91.5Very high87.5Confident0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-64.2-38.3-179.1-177.10000111.4V336 N337 L344 I422 M478V336-V340 HydrophobicContact CG1-CG2 4.17Å; V336-V340 VanDerWaalsContact O-CG2 3.26Å; V336-V340 WeakPolarHBondContact O-CG2 3.14Å; V336-V340 PolarHBondContact O-N 2.72Å; N337-V340 PolarHBondContact O-N 3.48Å; V340-L344 HydrophobicContact CG1-CD1 3.95Å; V340-L344 HydrophobicContact CG1-CG 4.28Å; V340-L344 WeakPolarHBondContact O-CB 3.24Å; V340-L344 VanDerWaalsContact O-CG 3.23Å; V340-L344 WeakPolarHBondContact O-CG 3.19Å; V340-L344 PolarHBondContact O-N 3.49Å; V340-I422 HydrophobicContact CB-CD1 4.04Å; V340-I422 HydrophobicContact CB-CG1 4.39Å; V340-I422 HydrophobicContact CB-CG2 4.3Å; V340-I422 HydrophobicContact CG1-CB 4.47Å; V340-I422 HydrophobicContact CG1-CD1 3.63Å; V340-I422 HydrophobicContact CG1-CG1 3.61Å; V340-I422 HydrophobicContact CG1-CG2 4.21Å; V340-M478 HydrophobicContact CG1-CB 4.39Å; V340-M478 HydrophobicContact CG2-CB 4.04Å; V340-M478 HydrophobicContact CG2-CG 4.46Å; V340-M478 WeakPolarHBondContact CG2-O 3.46Å
341Y91.1Very high86.2Confident22 Ų2217.4 Ų17.49%0.0869%0.09CC..Hα-helixtrans-63.3-50.2178.4176.6-87.1000112.3N337 T339 L345 E366 K419 I422N337-Y341 WeakPolarHBondContact O-CB 3.18Å; N337-Y341 PolarHBondContact O-N 3.12Å; T339-Y341 VanDerWaalsContact C-N 3.3Å; T339-Y341 PolarHBondContact O-N 2.9Å; Y341-L345 PolarHBondContact O-N 2.99Å; Y341-E366 WeakPolarHBondContact CE2-OE1 3.25Å; Y341-E366 PolarHBondContact OH-OE1 3.28Å; Y341-K419 HydrophobicContact CD2-CD 4.39Å; Y341-K419 VanDerWaalsContact CZ-NZ 3.26Å; Y341-K419 PolarHBondContact O-NZ 3.24Å; Y341-I422 HydrophobicContact CD2-CG2 4.46Å
342N87.7Confident84.7Confident18 Ų1823.1 Ų23.110%0.09611%0.114CC..Hα-helixtrans-76.5-37.2-178.4-73.1-77.6000111.2S338 T339 L345 Y346 V457 E460S338-N342 WeakPolarHBondContact O-CB 3.32Å; S338-N342 PolarHBondContact O-N 3.14Å; S338-N342 PolarHBondContact O-ND2 2.79Å; T339-N342 PolarHBondContact O-N 3.43Å; N342-L345 CarbonylContact O-C 3.53Å; N342-L345 WeakPolarHBondContact O-CA 3.21Å; N342-L345 WeakPolarHBondContact O-CB 3.31Å; N342-L345 PolarHBondContact O-N 3.12Å; N342-Y346 HydrophobicContact CB-CD2 4.24Å; N342-Y346 HydrophobicContact CB-CE2 3.94Å; N342-Y346 WeakPolarHBondContact O-CD2 3.4Å; N342-Y346 PolarHBondContact O-N 3.22Å; N342-V457 HydrophobicContact CB-CG1 3.99Å; N342-V457 HydrophobicContact CB-CG2 4.29Å; N342-V457 VanDerWaalsContact ND2-CG2 3.29Å; N342-V457 WeakPolarHBondContact ND2-CG2 3.46Å; N342-E460 VanDerWaalsContact CB-OE2 3.25Å; N342-E460 WeakPolarHBondContact CB-OE2 3.3Å
343G87.4Confident83.4Confident0 Ų021.4 Ų21.40%011%0.107CC..Hα-helixtrans-57.8-47.9173.400000113.3T339 L345 Y346 N347 E460T339-G343 WeakPolarHBondContact O-CA 3.33Å; T339-G343 PolarHBondContact O-N 3.45Å; G343-L345 PolarHBondContact O-N 3.5Å; G343-Y346 PolarHBondContact O-N 3Å; G343-N347 WeakPolarHBondContact O-CB 3.44Å; G343-N347 PolarHBondContact O-N 2.87Å; G343-E460 WeakPolarHBondContact CA-OE1 3.2Å; G343-E460 PolarHBondContact N-OE1 3.04Å
344L86.4Confident82.7Confident3 Ų323.7 Ų23.72%0.01612%0.12CC..Hα-helixtrans-62.1-32173.4-73.8173.8000112.4V340 T397 K419 L475V340-L344 HydrophobicContact CG1-CD1 3.95Å; V340-L344 HydrophobicContact CG1-CG 4.28Å; V340-L344 WeakPolarHBondContact O-CB 3.24Å; V340-L344 VanDerWaalsContact O-CG 3.23Å; V340-L344 WeakPolarHBondContact O-CG 3.19Å; V340-L344 PolarHBondContact O-N 3.49Å; L344-T397 HydrophobicContact CD2-CG2 4.26Å; L344-K419 HydrophobicContact CB-CD 4.35Å; L344-K419 HydrophobicContact CD1-CB 4.38Å; L344-L475 HydrophobicContact CD2-CD2 3.96Å
345L85Confident82.3Confident0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-74.5-43.8178.8-169.970.4000112.4F29 M224 Y341 N342 G343 N347 V348 F359F29-L345 HydrophobicContact CD1-CD2 3.41Å; F29-L345 VanDerWaalsContact CD1-CD2 3.41Å; F29-L345 HydrophobicContact CE1-CD2 3.15Å; F29-L345 HydrophobicContact CG-CD2 4.4Å; F29-L345 HydrophobicContact CZ-CD2 3.98Å; M224-L345 HydrophobicContact CE-CD1 3.82Å; M224-L345 HydrophobicContact CE-CD2 4.14Å; Y341-L345 PolarHBondContact O-N 2.99Å; N342-L345 CarbonylContact O-C 3.53Å; N342-L345 WeakPolarHBondContact O-CA 3.21Å; N342-L345 WeakPolarHBondContact O-CB 3.31Å; N342-L345 PolarHBondContact O-N 3.12Å; G343-L345 PolarHBondContact O-N 3.5Å; L345-N347 VanDerWaalsContact C-N 3.33Å; L345-V348 WeakPolarHBondContact O-CB 3.37Å; L345-V348 WeakPolarHBondContact O-CG2 3.46Å; L345-V348 PolarHBondContact O-N 3.46Å; L345-F359 HydrophobicContact CD1-CD2 3.89Å; L345-F359 HydrophobicContact CD1-CE2 3.53Å; L345-F359 HydrophobicContact CD1-CZ 4.26Å; L345-F359 HydrophobicContact CD2-CE2 4.42Å; L345-F359 HydrophobicContact CG-CE2 4.08Å
346Y83.3Confident82.1Confident30 Ų3022.4 Ų22.412%0.11811%0.113CC..Hα-helixtrans-77.6-20.5179.3-62.5-35.1000112.6V32 M128 N132 N342 G343 V348 P349 E460 P461V32-Y346 HydrophobicContact CG2-CD1 3.9Å; V32-Y346 HydrophobicContact CG2-CE1 4.05Å; M128-Y346 HydrophobicContact CE-CD1 3.45Å; M128-Y346 VanDerWaalsContact CE-CD1 3.45Å; M128-Y346 HydrophobicContact CE-CE1 3.39Å; M128-Y346 HydrophobicContact CE-CG 4.08Å; N132-Y346 PolarHBondContact ND2-OH 2.7Å; N342-Y346 HydrophobicContact CB-CD2 4.24Å; N342-Y346 HydrophobicContact CB-CE2 3.94Å; N342-Y346 WeakPolarHBondContact O-CD2 3.4Å; N342-Y346 PolarHBondContact O-N 3.22Å; G343-Y346 PolarHBondContact O-N 3Å; Y346-V348 VanDerWaalsContact C-N 3.25Å; Y346-V348 PolarHBondContact O-N 3.46Å; Y346-P349 VanDerWaalsContact O-CD 3.29Å; Y346-P349 WeakPolarHBondContact O-CD 3.28Å; Y346-E460 HydrophobicContact CD2-CG 4.44Å; Y346-P461 HydrophobicContact CD2-CG 4.34Å; Y346-P461 HydrophobicContact CE2-CG 4.17Å
347N79.3Confident81.8Confident2 Ų226.9 Ų26.91%0.01114%0.136CC..THydrogen-bonded Turntrans-82.92.7175.5-155.824.2000113.4G343 L345 N350 L464 L475G343-N347 WeakPolarHBondContact O-CB 3.44Å; G343-N347 PolarHBondContact O-N 2.87Å; L345-N347 VanDerWaalsContact C-N 3.33Å; N347-N350 PolarHBondContact O-N 3.4Å; N347-N350 VanDerWaalsContact O-N 3.12Å; N347-N350 WeakPolarHBondContact OD1-CB 3.47Å; N347-N350 PolarHBondContact OD1-ND2 3.01Å; N347-L464 HydrophobicContact CB-CD2 3.91Å; N347-L475 VanDerWaalsContact ND2-CD2 3.34Å; N347-L475 WeakPolarHBondContact ND2-CD2 3.3Å; N347-L475 WeakPolarHBondContact ND2-CG 3.04Å
348V75.1Confident81.4Confident1 Ų127 Ų271%0.00614%0.136CC..G310 helixtrans-53.1-46177.7165.50000113L345 Y346 N350 M351 D355 N358L345-V348 WeakPolarHBondContact O-CB 3.37Å; L345-V348 WeakPolarHBondContact O-CG2 3.46Å; L345-V348 PolarHBondContact O-N 3.46Å; Y346-V348 VanDerWaalsContact C-N 3.25Å; Y346-V348 PolarHBondContact O-N 3.46Å; V348-N350 PolarHBondContact O-N 3.48Å; V348-N350 VanDerWaalsContact O-N 3.17Å; V348-M351 WeakPolarHBondContact O-CB 3.49Å; V348-M351 PolarHBondContact O-N 2.88Å; V348-D355 HydrophobicContact CG1-CB 4.25Å; V348-D355 WeakPolarHBondContact CG1-O 3.44Å; V348-N358 HydrophobicContact CG1-CB 3.62Å; V348-N358 HydrophobicContact CG2-CB 4.47Å
349P68Low81.2Confident49 Ų4926.9 Ų26.932%0.31814%0.136SC..G310 helixtrans-63.2-21.8179.3-23.235.4000114.4Y346 M351 D355Y346-P349 VanDerWaalsContact O-CD 3.29Å; Y346-P349 WeakPolarHBondContact O-CD 3.28Å; P349-M351 VanDerWaalsContact C-N 3.29Å; P349-D355 WeakPolarHBondContact CA-OD1 3.32Å
350N66.5Low81.3Confident72 Ų7226.4 Ų26.439%0.38513%0.134SC..G310 helixtrans-84.3-6.6177.7-66.6-44.7000112.6N347 V348N347-N350 PolarHBondContact O-N 3.4Å; N347-N350 VanDerWaalsContact O-N 3.12Å; N347-N350 WeakPolarHBondContact OD1-CB 3.47Å; N347-N350 PolarHBondContact OD1-ND2 3.01Å; V348-N350 PolarHBondContact O-N 3.48Å; V348-N350 VanDerWaalsContact O-N 3.17Å
351M65.9Low81.1Confident17 Ų1729.7 Ų29.78%0.08415%0.151CC..SBendtrans-81.9130174-56.9-168.1-172.700108.9V348 P349 L353 I411 A415V348-M351 WeakPolarHBondContact O-CB 3.49Å; V348-M351 PolarHBondContact O-N 2.88Å; P349-M351 VanDerWaalsContact C-N 3.29Å; M351-L353 PolarHBondContact O-N 2.77Å; M351-I411 HydrophobicContact CB-CG2 4.43Å; M351-I411 HydrophobicContact CG-CG2 4.28Å; M351-A415 HydrophobicContact CE-CB 3.38Å; M351-A415 HydrophobicContact SD-CB 3.69Å
352K63.2Low80.9Confident136 Ų13629.1 Ų29.159%0.59115%0.15SC*.SBendtrans-61.97.4-178.7-69.7-1771761740115.5
353L66.4Low81.1Confident28 Ų2828.2 Ų28.215%0.14715%0.146CC..SBendtrans-96.1172.1177.9-95.476000109.7M351 D355 N358 W409M351-L353 PolarHBondContact O-N 2.77Å; L353-D355 PolarHBondContact O-N 2.95Å; L353-N358 WeakPolarHBondContact CB-ND2 3.15Å; L353-N358 WeakPolarHBondContact CB-OD1 3.13Å; L353-N358 VanDerWaalsContact CD2-OD1 3.24Å; L353-N358 WeakPolarHBondContact CD2-OD1 3.45Å; L353-W409 HydrophobicContact CD1-CE3 4.16Å; L353-W409 HydrophobicContact CD2-CE3 3.73Å; L353-W409 HydrophobicContact CD2-CZ3 3.57Å; L353-W409 HydrophobicContact CG-CE3 4.11Å; L353-W409 HydrophobicContact CG-CZ3 4Å
354N81.8Confident81.3Confident49 Ų4930.1 Ų30.126%0.26216%0.161SC..  trans-65.3122.9172.9177.7-40000110.5L105 Y356 I357 N358L105-N354 HydrophobicContact CD1-CB 4.3Å; L105-N354 VanDerWaalsContact CD1-CG 3.48Å; L105-N354 WeakPolarHBondContact CD1-OD1 3.45Å; N354-Y356 VanDerWaalsContact C-N 3.28Å; N354-Y356 PolarHBondContact O-N 3.47Å; N354-Y356 WeakPolarHBondContact OD1-CB 3.35Å; N354-Y356 VanDerWaalsContact OD1-CD2 3.25Å; N354-Y356 WeakPolarHBondContact OD1-CD2 3.35Å; N354-Y356 PolarHBondContact OD1-N 3.33Å; N354-I357 HydrophobicContact CB-CB 4.22Å; N354-I357 HydrophobicContact CB-CD1 3.93Å; N354-I357 HydrophobicContact CB-CG1 4Å; N354-I357 PolarHBondContact O-N 3.47Å; N354-I357 VanDerWaalsContact O-N 3.07Å; N354-I357 PolarHBondContact OD1-N 3.15Å; N354-N358 PolarHBondContact O-N 3.42Å
355D85.3Confident81.5Confident14 Ų1430.9 Ų30.98%0.07517%0.166CC..Hα-helixtrans-55.4-39.9-175.6-61-10.4000112.9L105 Y106 V348 P349 L353 F359L105-D355 HydrophobicContact CD2-CB 3.92Å; L105-D355 WeakPolarHBondContact CD2-OD2 3.5Å; Y106-D355 PolarHBondContact OH-OD2 2.97Å; V348-D355 HydrophobicContact CG1-CB 4.25Å; V348-D355 WeakPolarHBondContact CG1-O 3.44Å; P349-D355 WeakPolarHBondContact CA-OD1 3.32Å; L353-D355 PolarHBondContact O-N 2.95Å; D355-F359 VanDerWaalsContact O-CB 3.31Å; D355-F359 WeakPolarHBondContact O-CB 3.43Å; D355-F359 PolarHBondContact O-N 3.48Å
356Y89.3Confident81.8Confident4 Ų431.4 Ų31.42%0.01617%0.168CC..Hα-helixtrans-67-41.7178.5-52.1-68.6000112.1F33 L105 Y106 A231 N232 R235 N354 F359 A360F33-Y356 AromaticContact CD1-CD1 3.66Å; F33-Y356 HydrophobicContact CD1-CD1 3.66Å; F33-Y356 AromaticContact CD1-CE1 3.62Å; F33-Y356 HydrophobicContact CD1-CE1 3.62Å; F33-Y356 AromaticContact CE1-CD1 3.46Å; F33-Y356 HydrophobicContact CE1-CD1 3.46Å; F33-Y356 VanDerWaalsContact CE1-CD1 3.46Å; F33-Y356 AromaticContact CE1-CE1 3.94Å; F33-Y356 HydrophobicContact CE1-CE1 3.94Å; F33-Y356 HydrophobicContact CE1-CG 4.38Å; F33-Y356 HydrophobicContact CG-CE1 4.34Å; F33-Y356 HydrophobicContact CZ-CD1 4.2Å; L105-Y356 HydrophobicContact CD1-CD2 3.87Å; L105-Y356 HydrophobicContact CD1-CE2 3.76Å; L105-Y356 HydrophobicContact CG-CD2 4.35Å; L105-Y356 HydrophobicContact CG-CE2 3.85Å; L105-Y356 WeakPolarHBondContact O-CE2 3.43Å; L105-Y356 PolarHBondContact O-OH 3.38Å; Y106-Y356 WeakPolarHBondContact CD1-OH 2.95Å; Y106-Y356 HydrophobicContact CE1-CE1 4.12Å; Y106-Y356 AromaticContact CE1-CZ 3.84Å; Y106-Y356 VanDerWaalsContact CE1-OH 3.3Å; Y106-Y356 WeakPolarHBondContact CE1-OH 3.25Å; A231-Y356 VanDerWaalsContact C-CD1 3.48Å; A231-Y356 VanDerWaalsContact C-CE1 3.46Å; A231-Y356 HydrophobicContact CB-CD1 3.63Å; A231-Y356 HydrophobicContact CB-CE1 3.78Å; A231-Y356 WeakPolarHBondContact O-CE1 3.29Å; N232-Y356 HydrophobicContact CB-CD1 4.4Å; N232-Y356 HydrophobicContact CB-CD2 4.02Å; N232-Y356 HydrophobicContact CB-CG 3.81Å; N232-Y356 WeakPolarHBondContact OD1-CD2 3.3Å; R235-Y356 HydrophobicContact CG-CE2 4.39Å; N354-Y356 VanDerWaalsContact C-N 3.28Å; N354-Y356 PolarHBondContact O-N 3.47Å; N354-Y356 WeakPolarHBondContact OD1-CB 3.35Å; N354-Y356 VanDerWaalsContact OD1-CD2 3.25Å; N354-Y356 WeakPolarHBondContact OD1-CD2 3.35Å; N354-Y356 PolarHBondContact OD1-N 3.33Å; Y356-F359 PolarHBondContact O-N 2.89Å; Y356-A360 VanDerWaalsContact O-CB 3.28Å; Y356-A360 WeakPolarHBondContact O-CB 3.42Å; Y356-A360 PolarHBondContact O-N 2.88Å
357I87.1Confident82.1Confident94 Ų9432.1 Ų32.148%0.48218%0.175SC..Hα-helixtrans-67.2-44.5179.1-61.8-179.3000109.9N354 F359 A360 L361N354-I357 HydrophobicContact CB-CB 4.22Å; N354-I357 HydrophobicContact CB-CD1 3.93Å; N354-I357 HydrophobicContact CB-CG1 4Å; N354-I357 PolarHBondContact O-N 3.47Å; N354-I357 VanDerWaalsContact O-N 3.07Å; N354-I357 PolarHBondContact OD1-N 3.15Å; I357-F359 VanDerWaalsContact C-N 3.34Å; I357-F359 PolarHBondContact O-N 3.18Å; I357-A360 PolarHBondContact O-N 2.99Å; I357-L361 VanDerWaalsContact O-CB 3.25Å; I357-L361 WeakPolarHBondContact O-CB 3.4Å; I357-L361 PolarHBondContact O-N 3.34Å
358N86.1Confident82.7Confident2 Ų234.4 Ų34.41%0.01119%0.191CC..Hα-helixtrans-61.5-42.8177.1-75.1-22.2000112V348 L353 N354 L361 S362V348-N358 HydrophobicContact CG1-CB 3.62Å; V348-N358 HydrophobicContact CG2-CB 4.47Å; L353-N358 WeakPolarHBondContact CB-ND2 3.15Å; L353-N358 WeakPolarHBondContact CB-OD1 3.13Å; L353-N358 VanDerWaalsContact CD2-OD1 3.24Å; L353-N358 WeakPolarHBondContact CD2-OD1 3.45Å; N354-N358 PolarHBondContact O-N 3.42Å; N358-L361 PolarHBondContact O-N 3.09Å; N358-S362 WeakPolarHBondContact O-CB 3.3Å; N358-S362 PolarHBondContact O-N 3.44Å; N358-S362 PolarHBondContact O-OG 3.28Å
359F89.1Confident83.5Confident0 Ų034.4 Ų34.40%019%0.191CC..Hα-helixtrans-65.9-44.6176.8-171.2-83.4000111.4F29 F33 M224 L227 L345 D355 Y356 I357 L361 S362 G363F29-F359 HydrophobicContact CB-CE2 4.11Å; F29-F359 HydrophobicContact CB-CZ 3.56Å; F29-F359 HydrophobicContact CD2-CZ 4.39Å; F29-F359 HydrophobicContact CG-CE2 4.49Å; F29-F359 AromaticContact CG-CZ 3.97Å; F29-F359 HydrophobicContact CG-CZ 3.97Å; F33-F359 HydrophobicContact CE1-CB 4.19Å; F33-F359 HydrophobicContact CE1-CG 4.39Å; F33-F359 AromaticContact CE2-CD1 3.99Å; F33-F359 HydrophobicContact CE2-CD1 3.99Å; F33-F359 HydrophobicContact CE2-CD2 4.27Å; F33-F359 HydrophobicContact CE2-CE1 4.27Å; F33-F359 HydrophobicContact CE2-CG 4.02Å; F33-F359 HydrophobicContact CZ-CB 3.61Å; F33-F359 AromaticContact CZ-CD1 3.71Å; F33-F359 HydrophobicContact CZ-CD1 3.71Å; F33-F359 AromaticContact CZ-CD2 3.91Å; F33-F359 HydrophobicContact CZ-CD2 3.91Å; F33-F359 HydrophobicContact CZ-CE1 4.43Å; F33-F359 AromaticContact CZ-CG 3.44Å; F33-F359 HydrophobicContact CZ-CG 3.44Å; F33-F359 VanDerWaalsContact CZ-CG 3.44Å; M224-F359 HydrophobicContact CB-CE1 4.28Å; M224-F359 HydrophobicContact CE-CZ 4.07Å; M224-F359 VanDerWaalsContact O-CE1 3.29Å; M224-F359 WeakPolarHBondContact O-CE1 3.43Å; L227-F359 HydrophobicContact CB-CE1 4.24Å; L227-F359 HydrophobicContact CD2-CE1 3.98Å; L227-F359 HydrophobicContact CD2-CZ 4.12Å; L227-F359 HydrophobicContact CG-CE1 4.35Å; L345-F359 HydrophobicContact CD1-CD2 3.89Å; L345-F359 HydrophobicContact CD1-CE2 3.53Å; L345-F359 HydrophobicContact CD1-CZ 4.26Å; L345-F359 HydrophobicContact CD2-CE2 4.42Å; L345-F359 HydrophobicContact CG-CE2 4.08Å; D355-F359 VanDerWaalsContact O-CB 3.31Å; D355-F359 WeakPolarHBondContact O-CB 3.43Å; D355-F359 PolarHBondContact O-N 3.48Å; Y356-F359 PolarHBondContact O-N 2.89Å; I357-F359 VanDerWaalsContact C-N 3.34Å; I357-F359 PolarHBondContact O-N 3.18Å; F359-L361 VanDerWaalsContact C-N 3.33Å; F359-L361 PolarHBondContact O-N 3.24Å; F359-S362 WeakPolarHBondContact O-CB 3.3Å; F359-S362 PolarHBondContact O-N 2.79Å; F359-S362 VanDerWaalsContact O-N 3.17Å; F359-G363 PolarHBondContact O-N 3.3Å
360A91.2Very high84.3Confident13 Ų1332.4 Ų32.411%0.10718%0.178CC..Hα-helixtrans-60.6-4417700000111.4C225 I229 Y356 I357 S362 G363 A364C225-A360 PolarHBondContact SG-O 3.1Å; I229-A360 HydrophobicContact CG1-CB 4.29Å; Y356-A360 VanDerWaalsContact O-CB 3.28Å; Y356-A360 WeakPolarHBondContact O-CB 3.42Å; Y356-A360 PolarHBondContact O-N 2.88Å; I357-A360 PolarHBondContact O-N 2.99Å; A360-S362 VanDerWaalsContact C-N 3.32Å; A360-S362 PolarHBondContact O-N 2.81Å; A360-G363 PolarHBondContact O-N 2.95Å; A360-A364 WeakPolarHBondContact O-CB 3.4Å; A360-A364 PolarHBondContact O-N 3.13Å
361L89Confident85.2Confident70 Ų7033.8 Ų33.837%0.36619%0.185SC..Hα-helixtrans-63.8-38.2176-173.760.2000111.7I357 N358 F359 G363 A364 V365 T416I357-L361 VanDerWaalsContact O-CB 3.25Å; I357-L361 WeakPolarHBondContact O-CB 3.4Å; I357-L361 PolarHBondContact O-N 3.34Å; N358-L361 PolarHBondContact O-N 3.09Å; F359-L361 VanDerWaalsContact C-N 3.33Å; F359-L361 PolarHBondContact O-N 3.24Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.33Å; L361-A364 PolarHBondContact O-N 3.32Å; L361-V365 WeakPolarHBondContact O-CG2 3.31Å; L361-V365 PolarHBondContact O-N 2.8Å; L361-T416 HydrophobicContact CD1-CG2 4.14Å; L361-T416 HydrophobicContact CD2-CG2 3.73Å; L361-T416 VanDerWaalsContact CD2-OG1 3.23Å; L361-T416 WeakPolarHBondContact CD2-OG1 3.29Å; L361-T416 HydrophobicContact CG-CG2 3.58Å
362S86.8Confident86.3Confident9 Ų937 Ų376%0.06320%0.202CC..Hα-helixtrans-62.1-37.5174.7-62.80000112.6N358 F359 A360 V365N358-S362 WeakPolarHBondContact O-CB 3.3Å; N358-S362 PolarHBondContact O-N 3.44Å; N358-S362 PolarHBondContact O-OG 3.28Å; F359-S362 WeakPolarHBondContact O-CB 3.3Å; F359-S362 PolarHBondContact O-N 2.79Å; F359-S362 VanDerWaalsContact O-N 3.17Å; A360-S362 VanDerWaalsContact C-N 3.32Å; A360-S362 PolarHBondContact O-N 2.81Å; S362-V365 WeakPolarHBondContact O-CG2 3.15Å
363G90.4Very high87.5Confident0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-73.2-38.7171.500000112.8G221 F359 A360 L361 V365 E366G221-G363 CarbonylContact C-O 3.49Å; G221-G363 CarbonylContact O-C 3.54Å; F359-G363 PolarHBondContact O-N 3.3Å; A360-G363 PolarHBondContact O-N 2.95Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.33Å; G363-V365 VanDerWaalsContact C-N 3.32Å; G363-V365 PolarHBondContact O-N 3.33Å; G363-E366 WeakPolarHBondContact O-CB 3.14Å; G363-E366 PolarHBondContact O-N 3.37Å
364A91.9Very high88.2Confident39 Ų3935 Ų3532%0.32219%0.19SC..Hα-helixtrans-63.1-36.2-17900000112.7A360 L361 E366 V367 P368A360-A364 WeakPolarHBondContact O-CB 3.4Å; A360-A364 PolarHBondContact O-N 3.13Å; L361-A364 PolarHBondContact O-N 3.32Å; A364-E366 VanDerWaalsContact C-N 3.25Å; A364-E366 PolarHBondContact O-N 3.18Å; A364-V367 PolarHBondContact O-N 3.13Å; A364-P368 WeakPolarHBondContact O-CD 3.35Å
365V91.7Very high88.5Confident19 Ų1935.4 Ų35.412%0.11520%0.195CC..THydrogen-bonded Turntrans-71-15.1177.8-70.90000114.4L361 S362 G363 V367 P368 A369 T416 K419 F420L361-V365 WeakPolarHBondContact O-CG2 3.31Å; L361-V365 PolarHBondContact O-N 2.8Å; S362-V365 WeakPolarHBondContact O-CG2 3.15Å; G363-V365 VanDerWaalsContact C-N 3.32Å; G363-V365 PolarHBondContact O-N 3.33Å; V365-V367 VanDerWaalsContact C-N 3.33Å; V365-P368 WeakPolarHBondContact O-CD 3.36Å; V365-P368 WeakPolarHBondContact O-CG 3.2Å; V365-A369 VanDerWaalsContact O-CB 3.3Å; V365-A369 WeakPolarHBondContact O-CB 3.17Å; V365-A369 PolarHBondContact O-N 2.89Å; V365-T416 HydrophobicContact CG1-CG2 3.47Å; V365-T416 VanDerWaalsContact CG1-CG2 3.47Å; V365-K419 HydrophobicContact CG2-CB 4.32Å; V365-K419 HydrophobicContact CG2-CG 3.96Å; V365-F420 HydrophobicContact CB-CB 4.1Å; V365-F420 HydrophobicContact CG1-CB 4.44Å
366E90.1Very high88.6Confident11 Ų1137.3 Ų37.35%0.05121%0.205CC..Hα-helixtrans-68.2-35.1176.2-55.9-159.1159.900112.3G221 Y341 G363 A364 A369 A370 T423G221-E366 WeakPolarHBondContact CA-OE2 3.29Å; G221-E366 PolarHBondContact N-OE2 3.3Å; Y341-E366 WeakPolarHBondContact CE2-OE1 3.25Å; Y341-E366 PolarHBondContact OH-OE1 3.28Å; G363-E366 WeakPolarHBondContact O-CB 3.14Å; G363-E366 PolarHBondContact O-N 3.37Å; A364-E366 VanDerWaalsContact C-N 3.25Å; A364-E366 PolarHBondContact O-N 3.18Å; E366-A369 PolarHBondContact O-N 3.15Å; E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 2.87Å; E366-T423 HydrophobicContact CB-CG2 4.04Å; E366-T423 HydrophobicContact CG-CG2 3.95Å
367V90.4Very high88.6Confident45 Ų4537.6 Ų37.627%0.27321%0.206SC..Hα-helixtrans-61.3-56.1179.4-176.90000112A364 V365 A369 A370 L371A364-V367 PolarHBondContact O-N 3.13Å; V365-V367 VanDerWaalsContact C-N 3.33Å; V367-A369 VanDerWaalsContact C-N 3.28Å; V367-A369 PolarHBondContact O-N 3.5Å; V367-A370 PolarHBondContact O-N 2.93Å; V367-L371 HydrophobicContact CG1-CD1 4.3Å; V367-L371 WeakPolarHBondContact O-CG 3.26Å; V367-L371 PolarHBondContact O-N 3.41Å; V367-L371 VanDerWaalsContact O-N 3.17Å
368P91.2Very high88.6Confident51 Ų5136.1 Ų36.133%0.33120%0.199SC..Hα-helixtrans-65.7-31.3176.227.1-34.1000112.2A364 V365 L371 I372 F420A364-P368 WeakPolarHBondContact O-CD 3.35Å; V365-P368 WeakPolarHBondContact O-CD 3.36Å; V365-P368 WeakPolarHBondContact O-CG 3.2Å; P368-L371 PolarHBondContact O-N 2.98Å; P368-I372 HydrophobicContact CB-CD1 4.45Å; P368-I372 WeakPolarHBondContact O-CB 3.26Å; P368-I372 WeakPolarHBondContact O-CD1 3.32Å; P368-I372 VanDerWaalsContact O-CG1 3.22Å; P368-I372 WeakPolarHBondContact O-CG1 3.46Å; P368-I372 PolarHBondContact O-N 3.05Å; P368-F420 HydrophobicContact CB-CE2 4.28Å; P368-F420 HydrophobicContact CG-CD2 4.41Å; P368-F420 HydrophobicContact CG-CE2 4.39Å
369A91.1Very high88.7Confident1 Ų143.9 Ų43.91%0.00823%0.233CC..Hα-helixtrans-59.9-51175.300000110.6V365 E366 V367 L371 I372 T373 F420 T423 A424V365-A369 VanDerWaalsContact O-CB 3.3Å; V365-A369 WeakPolarHBondContact O-CB 3.17Å; V365-A369 PolarHBondContact O-N 2.89Å; E366-A369 PolarHBondContact O-N 3.15Å; V367-A369 VanDerWaalsContact C-N 3.28Å; V367-A369 PolarHBondContact O-N 3.5Å; A369-L371 VanDerWaalsContact C-N 3.28Å; A369-L371 PolarHBondContact O-N 3.35Å; A369-I372 PolarHBondContact O-N 3.46Å; A369-T373 WeakPolarHBondContact O-CG2 3.4Å; A369-T373 PolarHBondContact O-N 3.08Å; A369-T373 PolarHBondContact O-OG1 3.08Å; A369-F420 VanDerWaalsContact CA-CE2 3.49Å; A369-F420 HydrophobicContact CB-CD2 3.79Å; A369-F420 HydrophobicContact CB-CE2 3.86Å; A369-T423 HydrophobicContact CB-CG2 3.99Å; A369-A424 HydrophobicContact CB-CB 4.25Å
370A85.3Confident88.8Confident6 Ų647 Ų475%0.0525%0.249CC..Hα-helixtrans-61.9-32178.400000113.5E366 V367 T373 D427E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 2.87Å; V367-A370 PolarHBondContact O-N 2.93Å; A370-T373 PolarHBondContact O-OG1 3.14Å; A370-T373 VanDerWaalsContact O-OG1 3.04Å; A370-D427 WeakPolarHBondContact CA-OD2 3.22Å
371L86.6Confident88.7Confident101 Ų10146.4 Ų46.453%0.52924%0.244SC..Hα-helixtrans-77.3-34.5177.6-67.4174.6000112.9T214 V367 P368 A369 P375T214-L371 HydrophobicContact CG2-CD2 4.22Å; V367-L371 HydrophobicContact CG1-CD1 4.3Å; V367-L371 WeakPolarHBondContact O-CG 3.26Å; V367-L371 PolarHBondContact O-N 3.41Å; V367-L371 VanDerWaalsContact O-N 3.17Å; P368-L371 PolarHBondContact O-N 2.98Å; A369-L371 VanDerWaalsContact C-N 3.28Å; A369-L371 PolarHBondContact O-N 3.35Å; L371-P375 WeakPolarHBondContact O-CD 3.3Å
372I88.1Confident88.8Confident85 Ų8544.7 Ų44.744%0.43623%0.233SC..Hα-helixtrans-83.2-30.6-176.8-68.7167.3000111.9P368 A369 W374 P375 L376 F420P368-I372 HydrophobicContact CB-CD1 4.45Å; P368-I372 WeakPolarHBondContact O-CB 3.26Å; P368-I372 WeakPolarHBondContact O-CD1 3.32Å; P368-I372 VanDerWaalsContact O-CG1 3.22Å; P368-I372 WeakPolarHBondContact O-CG1 3.46Å; P368-I372 PolarHBondContact O-N 3.05Å; A369-I372 PolarHBondContact O-N 3.46Å; I372-W374 VanDerWaalsContact C-N 3.3Å; I372-W374 PolarHBondContact O-N 3.42Å; I372-P375 WeakPolarHBondContact O-CD 3.29Å; I372-P375 VanDerWaalsContact O-CG 3.27Å; I372-P375 WeakPolarHBondContact O-CG 3.46Å; I372-L376 VanDerWaalsContact O-CB 3.25Å; I372-L376 WeakPolarHBondContact O-CB 3.45Å; I372-L376 PolarHBondContact O-N 3.15Å; I372-L376 VanDerWaalsContact O-N 3.13Å; I372-F420 HydrophobicContact CD1-CE2 4.05Å; I372-F420 HydrophobicContact CD1-CZ 3.81Å
373T87.6Confident89.1Confident9 Ų947.2 Ų47.26%0.05524%0.241CC..Hα-helixtrans-59.2-39.3-179.448.80000112.6A369 A370 L376 M377 A424 D427 I428A369-T373 WeakPolarHBondContact O-CG2 3.4Å; A369-T373 PolarHBondContact O-N 3.08Å; A369-T373 PolarHBondContact O-OG1 3.08Å; A370-T373 PolarHBondContact O-OG1 3.14Å; A370-T373 VanDerWaalsContact O-OG1 3.04Å; T373-L376 WeakPolarHBondContact O-CB 3.03Å; T373-L376 PolarHBondContact O-N 3.08Å; T373-M377 WeakPolarHBondContact O-CG 3.06Å; T373-M377 PolarHBondContact O-N 2.91Å; T373-A424 VanDerWaalsContact CG2-CA 3.42Å; T373-A424 HydrophobicContact CG2-CB 3.5Å; T373-A424 VanDerWaalsContact CG2-CB 3.5Å; T373-A424 WeakPolarHBondContact CG2-O 3.34Å; T373-D427 HydrophobicContact CG2-CB 4.06Å; T373-I428 HydrophobicContact CG2-CD1 4.24Å; T373-I428 HydrophobicContact CG2-CG1 4.12Å
374W82.9Confident89.3Confident114 Ų11453.3 Ų53.343%0.43226%0.264SS..Hα-helixtrans-58.2-59.5178.6178.7-98.2000114.1I210 I372 L376 M377 N378I210-W374 HydrophobicContact CB-CH2 4.41Å; I210-W374 HydrophobicContact CB-CZ3 4.28Å; I210-W374 HydrophobicContact CD1-CH2 3.41Å; I210-W374 VanDerWaalsContact CD1-CH2 3.41Å; I210-W374 HydrophobicContact CD1-CZ3 3.67Å; I210-W374 HydrophobicContact CG1-CH2 4.4Å; I210-W374 HydrophobicContact CG1-CZ3 4.32Å; I210-W374 HydrophobicContact CG2-CD2 4.31Å; I210-W374 HydrophobicContact CG2-CE3 3.56Å; I210-W374 HydrophobicContact CG2-CH2 3.54Å; I210-W374 HydrophobicContact CG2-CZ2 4.25Å; I210-W374 HydrophobicContact CG2-CZ3 3.14Å; I372-W374 VanDerWaalsContact C-N 3.3Å; I372-W374 PolarHBondContact O-N 3.42Å; W374-L376 PolarHBondContact O-N 3.32Å; W374-M377 PolarHBondContact O-N 2.99Å; W374-N378 PolarHBondContact NE1-ND2 3.02Å; W374-N378 PolarHBondContact O-N 3.08Å; W374-N378 PolarHBondContact O-ND2 3.02Å
375P86.8Confident89.4Confident57 Ų5751.4 Ų51.437%0.3725%0.248SC..Hα-helixtrans-64.1-30.8176.624.9-33.6000112.3L371 I372 N378 K379L371-P375 WeakPolarHBondContact O-CD 3.3Å; I372-P375 WeakPolarHBondContact O-CD 3.29Å; I372-P375 VanDerWaalsContact O-CG 3.27Å; I372-P375 WeakPolarHBondContact O-CG 3.46Å; P375-N378 PolarHBondContact O-N 3.06Å; P375-K379 WeakPolarHBondContact O-CB 3.47Å; P375-K379 WeakPolarHBondContact O-CG 3.23Å; P375-K379 PolarHBondContact O-N 2.91Å
376L88.7Confident89.5Confident53 Ų5350.5 Ų50.528%0.27724%0.243SC..Hα-helixtrans-62.4-52.3177.7-172.264.8000111.3I372 T373 W374 N378 K379 I380 S385 I428I372-L376 VanDerWaalsContact O-CB 3.25Å; I372-L376 WeakPolarHBondContact O-CB 3.45Å; I372-L376 PolarHBondContact O-N 3.15Å; I372-L376 VanDerWaalsContact O-N 3.13Å; T373-L376 WeakPolarHBondContact O-CB 3.03Å; T373-L376 PolarHBondContact O-N 3.08Å; W374-L376 PolarHBondContact O-N 3.32Å; L376-N378 PolarHBondContact O-N 3.29Å; L376-K379 PolarHBondContact O-N 3.47Å; L376-K379 VanDerWaalsContact O-N 3.14Å; L376-I380 HydrophobicContact CD1-CD1 3.61Å; L376-I380 HydrophobicContact CD1-CG1 4.01Å; L376-I380 HydrophobicContact CG-CD1 4.03Å; L376-I380 HydrophobicContact CG-CG1 4.29Å; L376-I380 VanDerWaalsContact O-CG1 3.27Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 3.32Å; L376-S385 PolarHBondContact O-OG 3.45Å; L376-I428 HydrophobicContact CD2-CD1 4.49Å
377M88.1Confident89.8Confident11 Ų1150.9 Ų50.95%0.05425%0.246CC..Hα-helixtrans-59.1-33.4177.5-74.4171.258.900113.3T373 W374 G381 R382 S385 I428 A431T373-M377 WeakPolarHBondContact O-CG 3.06Å; T373-M377 PolarHBondContact O-N 2.91Å; W374-M377 PolarHBondContact O-N 2.99Å; M377-G381 CarbonylContact O-C 3.46Å; M377-G381 VanDerWaalsContact O-CA 3.28Å; M377-G381 WeakPolarHBondContact O-CA 3.17Å; M377-G381 PolarHBondContact O-N 3.09Å; M377-R382 HydrophobicContact CE-CG 3.72Å; M377-R382 PolarHBondContact O-NH1 2.96Å; M377-R382 VanDerWaalsContact O-NH1 3.14Å; M377-S385 WeakPolarHBondContact CA-OG 3.48Å; M377-S385 PolarHBondContact N-OG 3.16Å; M377-I428 HydrophobicContact CG-CG1 3.9Å; M377-I428 HydrophobicContact CG-CG2 4.33Å; M377-I428 HydrophobicContact SD-CB 4.39Å; M377-I428 HydrophobicContact SD-CG1 3.95Å; M377-I428 HydrophobicContact SD-CG2 4.46Å; M377-A431 HydrophobicContact CE-CB 3.3Å; M377-A431 HydrophobicContact SD-CB 4.14Å
378N86.6Confident90.1Very high63 Ų6353.5 Ų53.534%0.33726%0.258SS..Hα-helixtrans-76.6-35.7178.5-72.4-30.2000112.4W374 P375 L376 K496W374-N378 PolarHBondContact NE1-ND2 3.02Å; W374-N378 PolarHBondContact O-N 3.08Å; W374-N378 PolarHBondContact O-ND2 3.02Å; P375-N378 PolarHBondContact O-N 3.06Å; L376-N378 PolarHBondContact O-N 3.29Å; N378-K496 VanDerWaalsContact O-CE 3.31Å; N378-K496 WeakPolarHBondContact O-CE 3.35Å; N378-K496 PolarHBondContact O-NZ 3.04Å
379K89.2Confident90.2Very high165 Ų16551.5 Ų51.572%0.71725%0.245SC*.Hα-helixtrans-75.2-56.1179.8-75.9-177.6178.5-176.40112.6P375 L376 K496P375-K379 WeakPolarHBondContact O-CB 3.47Å; P375-K379 WeakPolarHBondContact O-CG 3.23Å; P375-K379 PolarHBondContact O-N 2.91Å; L376-K379 PolarHBondContact O-N 3.47Å; L376-K379 VanDerWaalsContact O-N 3.14Å; K379-K496 PolarHBondContact O-NZ 3.24Å
380I90.9Very high90.4Very high66 Ų6651.5 Ų51.534%0.33825%0.245SC..Hα-helixtrans-103.8-4.2-170.259.1167.5000114.3L376 W384 S385 L388L376-I380 HydrophobicContact CD1-CD1 3.61Å; L376-I380 HydrophobicContact CD1-CG1 4.01Å; L376-I380 HydrophobicContact CG-CD1 4.03Å; L376-I380 HydrophobicContact CG-CG1 4.29Å; L376-I380 VanDerWaalsContact O-CG1 3.27Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 3.32Å; I380-W384 HydrophobicContact CB-CB 4.39Å; I380-W384 HydrophobicContact CD1-CB 4.14Å; I380-W384 HydrophobicContact CG1-CB 4.43Å; I380-S385 VanDerWaalsContact CG1-OG 3.32Å; I380-S385 WeakPolarHBondContact CG1-OG 3.33Å; I380-L388 HydrophobicContact CD1-CD1 3.58Å
381G89.5Confident90.9Very high0 Ų052.4 Ų52.40%026%0.255CS..  trans88.6168.9-175.300000112.6M377 S385M377-G381 CarbonylContact O-C 3.46Å; M377-G381 VanDerWaalsContact O-CA 3.28Å; M377-G381 WeakPolarHBondContact O-CA 3.17Å; M377-G381 PolarHBondContact O-N 3.09Å; G381-S385 VanDerWaalsContact O-CB 3.3Å; G381-S385 WeakPolarHBondContact O-CB 3.26Å; G381-S385 PolarHBondContact O-N 3.47Å; G381-S385 PolarHBondContact O-OG 3.45Å
382R90.7Very high91.3Very high34 Ų3452.8 Ų52.813%0.12825%0.253CS..Hα-helixtrans-77.2-39.9-170.7-74.268.6166.6144.70.1110.9M377 S385 L386 Y432 E435 E494M377-R382 HydrophobicContact CE-CG 3.72Å; M377-R382 PolarHBondContact O-NH1 2.96Å; M377-R382 VanDerWaalsContact O-NH1 3.14Å; R382-S385 PolarHBondContact O-N 3.5Å; R382-L386 WeakPolarHBondContact O-CB 3.35Å; R382-L386 PolarHBondContact O-N 2.66Å; R382-Y432 HydrophobicContact CB-CD2 3.54Å; R382-Y432 HydrophobicContact CB-CE2 3.9Å; R382-Y432 HydrophobicContact CB-CG 3.91Å; R382-Y432 HydrophobicContact CG-CD2 4.24Å; R382-E435 WeakPolarHBondContact CD-OE2 3.27Å; R382-E435 WeakPolarHBondContact CG-OE2 3.39Å; R382-E435 IonicContact CZ-OE1 3.14Å; R382-E435 VanDerWaalsContact CZ-OE1 3.32Å; R382-E435 IonicContact CZ-OE2 2.71Å; R382-E435 VanDerWaalsContact NE-CD 3.34Å; R382-E435 IonicContact NE-OE1 3Å; R382-E435 PolarHBondContact NE-OE1 3.36Å; R382-E435 IonicContact NE-OE2 2.66Å; R382-E435 PolarHBondContact NE-OE2 2.9Å; R382-E435 IonicContact NH2-OE1 2.76Å; R382-E435 PolarHBondContact NH2-OE1 3.32Å; R382-E494 PolarHBondContact N-OE1 2.8Å; R382-E494 PolarHBondContact N-OE2 3Å
383R94.3Very high91.5Very high61 Ų6148.8 Ų48.823%0.2323%0.232CC..Hα-helixtrans-61.8-54.4-179.5179.2-170.1155147.9-8.4111S385 L386 V387 L490 L492 E494R383-S385 VanDerWaalsContact C-N 3.33Å; R383-S385 PolarHBondContact O-N 2.94Å; R383-L386 PolarHBondContact O-N 2.72Å; R383-V387 VanDerWaalsContact O-CG2 3.27Å; R383-V387 WeakPolarHBondContact O-CG2 3.33Å; R383-V387 PolarHBondContact O-N 2.93Å; R383-L490 PolarHBondContact NH1-O 3.46Å; R383-L490 PolarHBondContact NH2-O 2.79Å; R383-L492 WeakPolarHBondContact CD-O 3.46Å; R383-L492 PolarHBondContact NH1-O 2.94Å; R383-E494 WeakPolarHBondContact CB-OE2 3.34Å; R383-E494 PolarHBondContact N-OE2 2.88Å; R383-E494 VanDerWaalsContact N-OE2 3.1Å
384W94.3Very high91.8Very high128 Ų12848.3 Ų48.349%0.48523%0.229SC..Hα-helixtrans-67.3-34.4-178.6-72.6111.3000112.4I380 L386 V387 L388 L490I380-W384 HydrophobicContact CB-CB 4.39Å; I380-W384 HydrophobicContact CD1-CB 4.14Å; I380-W384 HydrophobicContact CG1-CB 4.43Å; W384-L386 VanDerWaalsContact C-N 3.33Å; W384-L386 PolarHBondContact O-N 2.88Å; W384-V387 PolarHBondContact O-N 3.04Å; W384-L388 WeakPolarHBondContact O-CB 3.49Å; W384-L388 VanDerWaalsContact O-CG 3.23Å; W384-L388 WeakPolarHBondContact O-CG 3.4Å; W384-L388 PolarHBondContact O-N 3.31Å; W384-L490 HydrophobicContact CE3-CD2 4.48Å; W384-L490 HydrophobicContact CH2-CD2 3.97Å; W384-L490 HydrophobicContact CZ3-CD2 3.87Å
385S93.6Very high92.3Very high0 Ų047.4 Ų47.40%023%0.232CC..Hα-helixtrans-60.1-44.1172.8-58.40000111.6L376 M377 I380 G381 R382 R383 S389L376-S385 PolarHBondContact O-OG 3.45Å; M377-S385 WeakPolarHBondContact CA-OG 3.48Å; M377-S385 PolarHBondContact N-OG 3.16Å; I380-S385 VanDerWaalsContact CG1-OG 3.32Å; I380-S385 WeakPolarHBondContact CG1-OG 3.33Å; G381-S385 VanDerWaalsContact O-CB 3.3Å; G381-S385 WeakPolarHBondContact O-CB 3.26Å; G381-S385 PolarHBondContact O-N 3.47Å; G381-S385 PolarHBondContact O-OG 3.45Å; R382-S385 PolarHBondContact O-N 3.5Å; R383-S385 VanDerWaalsContact C-N 3.33Å; R383-S385 PolarHBondContact O-N 2.94Å; S385-S389 VanDerWaalsContact O-CB 3.31Å; S385-S389 WeakPolarHBondContact O-CB 3.22Å; S385-S389 PolarHBondContact O-N 3.44Å; S385-S389 PolarHBondContact O-OG 2.93Å
386L94.4Very high92.5Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-65.9-46.5177.5-177.265.2000111.7V333 R382 R383 W384 L388 S389 M390 I428 L429 Y432 A489V333-L386 HydrophobicContact CG1-CD1 4.42Å; V333-L386 HydrophobicContact CG1-CD2 4.21Å; R382-L386 WeakPolarHBondContact O-CB 3.35Å; R382-L386 PolarHBondContact O-N 2.66Å; R383-L386 PolarHBondContact O-N 2.72Å; W384-L386 VanDerWaalsContact C-N 3.33Å; W384-L386 PolarHBondContact O-N 2.88Å; L386-L388 PolarHBondContact O-N 3.25Å; L386-S389 WeakPolarHBondContact CA-OG 3.48Å; L386-S389 PolarHBondContact O-N 3.45Å; L386-S389 PolarHBondContact O-OG 3.2Å; L386-M390 HydrophobicContact CD1-CG 4Å; L386-M390 HydrophobicContact CD1-SD 3.86Å; L386-M390 HydrophobicContact CG-CG 4.46Å; L386-M390 HydrophobicContact CG-SD 4.17Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 WeakPolarHBondContact O-CG 3.22Å; L386-M390 PolarHBondContact O-N 3.11Å; L386-I428 HydrophobicContact CB-CG2 3.9Å; L386-I428 HydrophobicContact CD1-CG2 4.42Å; L386-L429 HydrophobicContact CD1-CB 4.46Å; L386-L429 HydrophobicContact CD2-CD1 4.48Å; L386-Y432 HydrophobicContact CD2-CD1 3.84Å; L386-Y432 HydrophobicContact CD2-CE1 4.06Å; L386-A489 HydrophobicContact CD2-CB 4.03Å; L386-A489 HydrophobicContact CG-CB 4.4Å
387V96Very high92.5Very high18 Ų1842.5 Ų42.511%0.10920%0.204CC..Hα-helixtrans-62.1-45.5179.8172.80000111.3R383 W384 G391 A489 L490R383-V387 VanDerWaalsContact O-CG2 3.27Å; R383-V387 WeakPolarHBondContact O-CG2 3.33Å; R383-V387 PolarHBondContact O-N 2.93Å; W384-V387 PolarHBondContact O-N 3.04Å; V387-G391 WeakPolarHBondContact O-CA 3.48Å; V387-G391 PolarHBondContact O-N 3.41Å; V387-A489 HydrophobicContact CG2-CB 3.87Å; V387-L490 HydrophobicContact CG1-CD2 4.09Å; V387-L490 HydrophobicContact CG1-CG 4.36Å; V387-L490 HydrophobicContact CG2-CD2 3.84Å; V387-L490 HydrophobicContact CG2-CG 4.08Å
388L95.5Very high92.6Very high100 Ų10044.6 Ų44.652%0.52422%0.215SC..Hα-helixtrans-67.5-43179.9-69.8176.4000111.8I380 W384 L386 F392I380-L388 HydrophobicContact CD1-CD1 3.58Å; W384-L388 WeakPolarHBondContact O-CB 3.49Å; W384-L388 VanDerWaalsContact O-CG 3.23Å; W384-L388 WeakPolarHBondContact O-CG 3.4Å; W384-L388 PolarHBondContact O-N 3.31Å; L386-L388 PolarHBondContact O-N 3.25Å; L388-F392 WeakPolarHBondContact O-CB 3.38Å; L388-F392 PolarHBondContact O-N 3.39Å
389S94.7Very high92.7Very high10 Ų1045 Ų457%0.0722%0.216CC..Hα-helixtrans-66.5-48.6179.153.30000112.1S385 L386 G393 A421 S425S385-S389 VanDerWaalsContact O-CB 3.31Å; S385-S389 WeakPolarHBondContact O-CB 3.22Å; S385-S389 PolarHBondContact O-N 3.44Å; S385-S389 PolarHBondContact O-OG 2.93Å; L386-S389 WeakPolarHBondContact CA-OG 3.48Å; L386-S389 PolarHBondContact O-N 3.45Å; L386-S389 PolarHBondContact O-OG 3.2Å; S389-G393 PolarHBondContact O-N 2.78Å; S389-A421 WeakPolarHBondContact CB-O 3.43Å; S389-S425 WeakPolarHBondContact OG-CA 3.27Å; S389-S425 VanDerWaalsContact OG-CB 3.26Å; S389-S425 WeakPolarHBondContact OG-CB 3.25Å
390M95.4Very high92.4Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-67.4-38.3176.4-66.5-167.781.200113V333 V336 N337 L386 G394 S482 A485 A486V333-M390 HydrophobicContact CG1-CE 4.13Å; V333-M390 HydrophobicContact CG1-SD 3.59Å; V333-M390 VanDerWaalsContact CG1-SD 3.59Å; V336-M390 HydrophobicContact CG1-CE 4.09Å; N337-M390 HydrophobicContact CB-CE 4.22Å; L386-M390 HydrophobicContact CD1-CG 4Å; L386-M390 HydrophobicContact CD1-SD 3.86Å; L386-M390 HydrophobicContact CG-CG 4.46Å; L386-M390 HydrophobicContact CG-SD 4.17Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 WeakPolarHBondContact O-CG 3.22Å; L386-M390 PolarHBondContact O-N 3.11Å; M390-G394 PolarHBondContact O-N 3.31Å; M390-S482 PolarHBondContact O-OG 3.03Å; M390-A485 HydrophobicContact CE-CB 3.41Å; M390-A485 VanDerWaalsContact CE-CB 3.41Å; M390-A485 HydrophobicContact SD-CB 4.21Å; M390-A486 HydrophobicContact CB-CB 3.92Å
391G95.5Very high91.8Very high25 Ų2535 Ų3526%0.25817%0.172SC..Hα-helixtrans-66.9-45.517800000111.9V387 G394 L395V387-G391 WeakPolarHBondContact O-CA 3.48Å; V387-G391 PolarHBondContact O-N 3.41Å; G391-G394 PolarHBondContact O-N 3.35Å; G391-L395 WeakPolarHBondContact O-CB 3.48Å; G391-L395 PolarHBondContact O-N 3.22Å
392F94.7Very high91.4Very high110 Ų11038.2 Ų38.248%0.48220%0.199SC..Hα-helixtrans-67.4-39.3176.2-171.6-112.5000112L388 L395 T396 I417 A421L388-F392 WeakPolarHBondContact O-CB 3.38Å; L388-F392 PolarHBondContact O-N 3.39Å; F392-L395 PolarHBondContact O-N 3.11Å; F392-T396 HydrophobicContact CD1-CG2 4.44Å; F392-T396 HydrophobicContact CD2-CG2 4.38Å; F392-T396 HydrophobicContact CE1-CG2 4.13Å; F392-T396 HydrophobicContact CE2-CG2 4.06Å; F392-T396 HydrophobicContact CZ-CG2 3.93Å; F392-T396 WeakPolarHBondContact O-CB 3.44Å; F392-T396 VanDerWaalsContact O-CG2 3.31Å; F392-T396 WeakPolarHBondContact O-CG2 3.49Å; F392-T396 PolarHBondContact O-N 3.17Å; F392-T396 PolarHBondContact O-OG1 2.89Å; F392-I417 HydrophobicContact CD1-CG2 4.5Å; F392-I417 HydrophobicContact CE1-CG2 3.52Å; F392-I417 HydrophobicContact CZ-CG2 3.93Å; F392-A421 HydrophobicContact CD1-CB 3.96Å
393G93.1Very high90.9Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-59.1-48.6171.400000111.9S389 L395 T396 T397S389-G393 PolarHBondContact O-N 2.78Å; G393-L395 PolarHBondContact O-N 3.24Å; G393-T396 PolarHBondContact O-N 3.38Å; G393-T396 PolarHBondContact O-OG1 2.71Å; G393-T397 WeakPolarHBondContact O-CB 3.33Å; G393-T397 PolarHBondContact O-N 3.16Å; G393-T397 PolarHBondContact O-OG1 3.44Å
394G93.4Very high89.7Confident0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-61.4-45.9177.700000113.1M390 G391 T397 L398M390-G394 PolarHBondContact O-N 3.31Å; G391-G394 PolarHBondContact O-N 3.35Å; G394-T397 PolarHBondContact O-N 3.37Å; G394-L398 WeakPolarHBondContact O-CB 3.38Å; G394-L398 VanDerWaalsContact O-CG 3.3Å; G394-L398 WeakPolarHBondContact O-CG 3.21Å; G394-L398 PolarHBondContact O-N 2.89Å
395L93.6Very high88.5Confident94 Ų9439 Ų3949%0.49222%0.221SC..Hα-helixtrans-62.8-45.8179.2-178.362.9000112.1G391 F392 G393 L398 L399G391-L395 WeakPolarHBondContact O-CB 3.48Å; G391-L395 PolarHBondContact O-N 3.22Å; F392-L395 PolarHBondContact O-N 3.11Å; G393-L395 PolarHBondContact O-N 3.24Å; L395-L398 PolarHBondContact O-N 3.39Å; L395-L399 HydrophobicContact CG-CD1 4.29Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.21Å
396T91.1Very high87.4Confident7 Ų743.4 Ų43.44%0.04325%0.248CC..Hα-helixtrans-66.3-39.7-180510000111.8F392 G393 L399 V400 I417 G418F392-T396 HydrophobicContact CD1-CG2 4.44Å; F392-T396 HydrophobicContact CD2-CG2 4.38Å; F392-T396 HydrophobicContact CE1-CG2 4.13Å; F392-T396 HydrophobicContact CE2-CG2 4.06Å; F392-T396 HydrophobicContact CZ-CG2 3.93Å; F392-T396 WeakPolarHBondContact O-CB 3.44Å; F392-T396 VanDerWaalsContact O-CG2 3.31Å; F392-T396 WeakPolarHBondContact O-CG2 3.49Å; F392-T396 PolarHBondContact O-N 3.17Å; F392-T396 PolarHBondContact O-OG1 2.89Å; G393-T396 PolarHBondContact O-N 3.38Å; G393-T396 PolarHBondContact O-OG1 2.71Å; T396-L399 PolarHBondContact O-N 3.46Å; T396-V400 PolarHBondContact O-N 2.97Å; T396-I417 HydrophobicContact CG2-CG2 3.89Å; T396-G418 VanDerWaalsContact OG1-CA 3.25Å; T396-G418 WeakPolarHBondContact OG1-CA 3.4Å
397T88.8Confident86.3Confident1 Ų149.3 Ų49.31%0.00628%0.276CS..Hα-helixtrans-64.9-37.6173.3-54.20000112.4L344 G393 G394 L399 V400 P401 L475 M478L344-T397 HydrophobicContact CD2-CG2 4.26Å; G393-T397 WeakPolarHBondContact O-CB 3.33Å; G393-T397 PolarHBondContact O-N 3.16Å; G393-T397 PolarHBondContact O-OG1 3.44Å; G394-T397 PolarHBondContact O-N 3.37Å; T397-L399 VanDerWaalsContact C-N 3.34Å; T397-L399 PolarHBondContact O-N 3.04Å; T397-V400 PolarHBondContact O-N 3.31Å; T397-P401 WeakPolarHBondContact O-CD 3.42Å; T397-L475 HydrophobicContact CG2-CB 4.11Å; T397-L475 HydrophobicContact CG2-CD2 3.96Å; T397-L475 WeakPolarHBondContact CG2-O 3.33Å; T397-M478 HydrophobicContact CG2-CB 4.32Å
398L90.1Very high85Confident55 Ų5556 Ų5629%0.28830%0.303SS..Hα-helixtrans-66.4-32.9174.7-75.4171.6000113.4G394 L395 V400 P401 I476 I480G394-L398 WeakPolarHBondContact O-CB 3.38Å; G394-L398 VanDerWaalsContact O-CG 3.3Å; G394-L398 WeakPolarHBondContact O-CG 3.21Å; G394-L398 PolarHBondContact O-N 2.89Å; L395-L398 PolarHBondContact O-N 3.39Å; L398-V400 VanDerWaalsContact C-N 3.28Å; L398-V400 PolarHBondContact O-N 2.86Å; L398-P401 WeakPolarHBondContact O-CD 3.33Å; L398-I476 HydrophobicContact CD2-CG2 4.37Å; L398-I480 HydrophobicContact CD2-CG1 4.04Å
399L88.8Confident83.9Confident71 Ų7159.6 Ų59.637%0.37231%0.31SS..Hα-helixtrans-73-19.5178.5-73.7171.4000113L395 T396 T397 A402 L403L395-L399 HydrophobicContact CG-CD1 4.29Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.21Å; T396-L399 PolarHBondContact O-N 3.46Å; T397-L399 VanDerWaalsContact C-N 3.34Å; T397-L399 PolarHBondContact O-N 3.04Å; L399-A402 PolarHBondContact O-N 2.97Å; L399-L403 HydrophobicContact CB-CD1 4.38Å; L399-L403 PolarHBondContact O-N 3.25Å
400V82.5Confident83Confident3 Ų360 Ų602%0.01831%0.314CS..Hα-helixtrans-57.8-56.3-178.81720000111.6T396 T397 L398 A402 L403 A404 I411 L414 L475T396-V400 PolarHBondContact O-N 2.97Å; T397-V400 PolarHBondContact O-N 3.31Å; L398-V400 VanDerWaalsContact C-N 3.28Å; L398-V400 PolarHBondContact O-N 2.86Å; V400-A402 VanDerWaalsContact C-N 3.29Å; V400-A402 PolarHBondContact O-N 2.82Å; V400-L403 PolarHBondContact O-N 3.35Å; V400-A404 WeakPolarHBondContact O-CA 3.26Å; V400-A404 VanDerWaalsContact O-CB 3.23Å; V400-A404 WeakPolarHBondContact O-CB 3.31Å; V400-A404 PolarHBondContact O-N 3.07Å; V400-I411 HydrophobicContact CG1-CB 4.25Å; V400-I411 HydrophobicContact CG1-CG1 4.23Å; V400-I411 HydrophobicContact CG1-CG2 3.78Å; V400-L414 HydrophobicContact CG2-CB 3.56Å; V400-L414 HydrophobicContact CG2-CD1 4.45Å; V400-L475 HydrophobicContact CB-CD1 4.09Å; V400-L475 HydrophobicContact CG1-CD1 3.51Å
401P77.6Confident82.1Confident18 Ų1860.9 Ų60.912%0.11732%0.319CS..Hα-helixtrans-54.6-40174.4-28.433.2000114.7T397 L398 L403 T472 L475 I476T397-P401 WeakPolarHBondContact O-CD 3.42Å; L398-P401 WeakPolarHBondContact O-CD 3.33Å; P401-L403 VanDerWaalsContact C-N 3.33Å; P401-L403 PolarHBondContact O-N 3.25Å; P401-T472 HydrophobicContact CB-CG2 3.74Å; P401-T472 HydrophobicContact CG-CG2 4.11Å; P401-L475 HydrophobicContact CG-CB 4.26Å; P401-I476 HydrophobicContact CB-CD1 4.44Å; P401-I476 HydrophobicContact CB-CG1 4.35Å; P401-I476 HydrophobicContact CG-CD1 4.29Å; P401-I476 HydrophobicContact CG-CG1 3.72Å
402A80.3Confident81.2Confident68 Ų6859.8 Ų59.856%0.56231%0.307SS*.Hα-helixtrans-67.5-35.2-176.700000112.1L399 V400L399-A402 PolarHBondContact O-N 2.97Å; V400-A402 VanDerWaalsContact C-N 3.29Å; V400-A402 PolarHBondContact O-N 2.82Å
403L80.1Confident80.6Confident70 Ų7059.2 Ų59.237%0.36631%0.308SS..Hα-helixtrans-98.2-10.9-178.6-67.1170000113.6L399 V400 P401 N405 V406 H407 A410 L414L399-L403 HydrophobicContact CB-CD1 4.38Å; L399-L403 PolarHBondContact O-N 3.25Å; V400-L403 PolarHBondContact O-N 3.35Å; P401-L403 VanDerWaalsContact C-N 3.33Å; P401-L403 PolarHBondContact O-N 3.25Å; L403-N405 PolarHBondContact O-N 3.17Å; L403-N405 VanDerWaalsContact O-N 3.14Å; L403-V406 PolarHBondContact O-N 3.43Å; L403-H407 PolarHBondContact O-N 3.45Å; L403-A410 HydrophobicContact CB-CB 4.42Å; L403-L414 HydrophobicContact CB-CD1 4.13Å; L403-L414 HydrophobicContact CD1-CD1 3.6Å; L403-L414 HydrophobicContact CG-CD1 4.47Å
404A70.2Confident80.2Confident14 Ų1460.4 Ų60.412%0.11631%0.314CS..THydrogen-bonded Turntrans-56.4-31.1-178.600000113.5V400 V406 I411V400-A404 WeakPolarHBondContact O-CA 3.26Å; V400-A404 VanDerWaalsContact O-CB 3.23Å; V400-A404 WeakPolarHBondContact O-CB 3.31Å; V400-A404 PolarHBondContact O-N 3.07Å; A404-V406 VanDerWaalsContact C-N 3.34Å; A404-I411 HydrophobicContact CB-CD1 3.63Å; A404-I411 HydrophobicContact CB-CG1 3.78Å
405N69.6Low79.7Confident154 Ų15460.7 Ų60.782%0.82432%0.317SS*.THydrogen-bonded Turntrans-79.6-16.2-179.2-66-25.9000113.2L403L403-N405 PolarHBondContact O-N 3.17Å; L403-N405 VanDerWaalsContact O-N 3.14Å
406V70.5Confident79.3Confident94 Ų9457 Ų5757%0.5730%0.299SS*.THydrogen-bonded Turntrans-96.4-44.5-172-168.90000111.8L403 A404L403-V406 PolarHBondContact O-N 3.43Å; A404-V406 VanDerWaalsContact C-N 3.34Å
407H70.7Confident79.3Confident124 Ų12459.6 Ų59.657%0.57431%0.311SS*.  trans-140.3129-176.2-63.3-63.2000112.8L403 W409 A410L403-H407 PolarHBondContact O-N 3.45Å; H407-W409 VanDerWaalsContact C-N 3.3Å; H407-W409 PolarHBondContact O-N 3.32Å; H407-A410 HydrophobicContact CB-CB 3.9Å; H407-A410 WeakPolarHBondContact O-CB 3.46Å; H407-A410 PolarHBondContact O-N 2.89Å; H407-A410 VanDerWaalsContact O-N 3.13Å
408K68.8Low79.3Confident159 Ų15959.6 Ų59.669%0.69131%0.311SS*.Hα-helixtrans-57.1-40.2179.4-66.8-177.3-178.6179.80113.1
409W72.4Confident79.3Confident174 Ų17457 Ų5766%0.65930%0.298SS*.Hα-helixtrans-77.9-19.7-179.3-69.298.6000113.9L353 H407 I411 G412 I413L353-W409 HydrophobicContact CD1-CE3 4.16Å; L353-W409 HydrophobicContact CD2-CE3 3.73Å; L353-W409 HydrophobicContact CD2-CZ3 3.57Å; L353-W409 HydrophobicContact CG-CE3 4.11Å; L353-W409 HydrophobicContact CG-CZ3 4Å; H407-W409 VanDerWaalsContact C-N 3.3Å; H407-W409 PolarHBondContact O-N 3.32Å; W409-I411 VanDerWaalsContact C-N 3.28Å; W409-I411 PolarHBondContact O-N 3.34Å; W409-G412 PolarHBondContact O-N 3.44Å; W409-I413 HydrophobicContact CB-CD1 4.33Å; W409-I413 WeakPolarHBondContact O-CG1 3.36Å; W409-I413 PolarHBondContact O-N 3.47Å; W409-I413 VanDerWaalsContact O-N 3.1Å
410A76.6Confident79.5Confident19 Ų1956.3 Ų56.316%0.15729%0.292CS..Hα-helixtrans-62.1-37.5-176.600000112L403 H407 L414L403-A410 HydrophobicContact CB-CB 4.42Å; H407-A410 HydrophobicContact CB-CB 3.9Å; H407-A410 WeakPolarHBondContact O-CB 3.46Å; H407-A410 PolarHBondContact O-N 2.89Å; H407-A410 VanDerWaalsContact O-N 3.13Å; A410-L414 HydrophobicContact CB-CD1 4.44Å; A410-L414 VanDerWaalsContact O-CB 3.24Å; A410-L414 WeakPolarHBondContact O-CB 3.2Å; A410-L414 WeakPolarHBondContact O-CD1 3.21Å; A410-L414 VanDerWaalsContact O-CG 3.27Å; A410-L414 WeakPolarHBondContact O-CG 3.44Å; A410-L414 PolarHBondContact O-N 2.68Å
411I76Confident80Confident19 Ų1956.3 Ų56.310%0.09729%0.292CS..Hα-helixtrans-59.1-52.6177.6-59.8174.8000110.5M351 V400 A404 W409 A415M351-I411 HydrophobicContact CB-CG2 4.43Å; M351-I411 HydrophobicContact CG-CG2 4.28Å; V400-I411 HydrophobicContact CG1-CB 4.25Å; V400-I411 HydrophobicContact CG1-CG1 4.23Å; V400-I411 HydrophobicContact CG1-CG2 3.78Å; A404-I411 HydrophobicContact CB-CD1 3.63Å; A404-I411 HydrophobicContact CB-CG1 3.78Å; W409-I411 VanDerWaalsContact C-N 3.28Å; W409-I411 PolarHBondContact O-N 3.34Å; I411-A415 WeakPolarHBondContact O-CB 3.29Å; I411-A415 PolarHBondContact O-N 3.41Å
412G75.4Confident80.8Confident2 Ų255.4 Ų55.42%0.02129%0.286CS..Hα-helixtrans-64.1-43-177.800000112.6W409 T416W409-G412 PolarHBondContact O-N 3.44Å; G412-T416 VanDerWaalsContact O-CB 3.3Å; G412-T416 WeakPolarHBondContact O-CB 3.35Å; G412-T416 PolarHBondContact O-N 3.43Å; G412-T416 PolarHBondContact O-OG1 2.98Å
413I81.9Confident81.4Confident97 Ų9752.6 Ų52.650%0.49726%0.262SS..Hα-helixtrans-66.1-50.4179.2-64.9168.9000110.9W409 A415 T416 I417W409-I413 HydrophobicContact CB-CD1 4.33Å; W409-I413 WeakPolarHBondContact O-CG1 3.36Å; W409-I413 PolarHBondContact O-N 3.47Å; W409-I413 VanDerWaalsContact O-N 3.1Å; I413-A415 PolarHBondContact O-N 2.92Å; I413-T416 WeakPolarHBondContact O-CB 3.27Å; I413-T416 PolarHBondContact O-N 3.19Å; I413-I417 HydrophobicContact CG2-CD1 3.87Å; I413-I417 VanDerWaalsContact O-CG1 3.3Å; I413-I417 WeakPolarHBondContact O-CG1 3.4Å; I413-I417 PolarHBondContact O-N 2.94Å
414L85.5Confident82Confident25 Ų2549.6 Ų49.613%0.13125%0.247CC..Hα-helixtrans-65-39.3-179.2-73.1165.9000112.1V400 L403 A410 T416 I417 G418V400-L414 HydrophobicContact CG2-CB 3.56Å; V400-L414 HydrophobicContact CG2-CD1 4.45Å; L403-L414 HydrophobicContact CB-CD1 4.13Å; L403-L414 HydrophobicContact CD1-CD1 3.6Å; L403-L414 HydrophobicContact CG-CD1 4.47Å; A410-L414 HydrophobicContact CB-CD1 4.44Å; A410-L414 VanDerWaalsContact O-CB 3.24Å; A410-L414 WeakPolarHBondContact O-CB 3.2Å; A410-L414 WeakPolarHBondContact O-CD1 3.21Å; A410-L414 VanDerWaalsContact O-CG 3.27Å; A410-L414 WeakPolarHBondContact O-CG 3.44Å; A410-L414 PolarHBondContact O-N 2.68Å; L414-T416 VanDerWaalsContact C-N 3.32Å; L414-T416 PolarHBondContact O-N 3.33Å; L414-I417 PolarHBondContact O-N 2.96Å; L414-G418 PolarHBondContact O-N 3.29Å
415A83.1Confident83.1Confident6 Ų648.9 Ų48.95%0.0524%0.242CC..Hα-helixtrans-65.3-37.4175.500000111.9M351 I411 I413 G418 K419M351-A415 HydrophobicContact CE-CB 3.38Å; M351-A415 HydrophobicContact SD-CB 3.69Å; I411-A415 WeakPolarHBondContact O-CB 3.29Å; I411-A415 PolarHBondContact O-N 3.41Å; I413-A415 PolarHBondContact O-N 2.92Å; A415-G418 PolarHBondContact O-N 3.43Å; A415-K419 WeakPolarHBondContact O-CB 3.23Å; A415-K419 PolarHBondContact O-N 3.28Å
416T86Confident84.1Confident18 Ų1843.9 Ų43.911%0.1121%0.211CC..Hα-helixtrans-65-41.5174.5-610000111.7L361 V365 G412 I413 L414 K419 F420L361-T416 HydrophobicContact CD1-CG2 4.14Å; L361-T416 HydrophobicContact CD2-CG2 3.73Å; L361-T416 VanDerWaalsContact CD2-OG1 3.23Å; L361-T416 WeakPolarHBondContact CD2-OG1 3.29Å; L361-T416 HydrophobicContact CG-CG2 3.58Å; V365-T416 HydrophobicContact CG1-CG2 3.47Å; V365-T416 VanDerWaalsContact CG1-CG2 3.47Å; G412-T416 VanDerWaalsContact O-CB 3.3Å; G412-T416 WeakPolarHBondContact O-CB 3.35Å; G412-T416 PolarHBondContact O-N 3.43Å; G412-T416 PolarHBondContact O-OG1 2.98Å; I413-T416 WeakPolarHBondContact O-CB 3.27Å; I413-T416 PolarHBondContact O-N 3.19Å; L414-T416 VanDerWaalsContact C-N 3.32Å; L414-T416 PolarHBondContact O-N 3.33Å; T416-K419 PolarHBondContact O-N 3.3Å; T416-F420 PolarHBondContact O-N 3.31Å
417I90Very high84.9Confident61 Ų6141.6 Ų41.631%0.31320%0.196SC..Hα-helixtrans-65.1-43.3175-65.5166.3000110.5F392 T396 I413 L414 K419 F420 A421F392-I417 HydrophobicContact CD1-CG2 4.5Å; F392-I417 HydrophobicContact CE1-CG2 3.52Å; F392-I417 HydrophobicContact CZ-CG2 3.93Å; T396-I417 HydrophobicContact CG2-CG2 3.89Å; I413-I417 HydrophobicContact CG2-CD1 3.87Å; I413-I417 VanDerWaalsContact O-CG1 3.3Å; I413-I417 WeakPolarHBondContact O-CG1 3.4Å; I413-I417 PolarHBondContact O-N 2.94Å; L414-I417 PolarHBondContact O-N 2.96Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 2.98Å; I417-F420 WeakPolarHBondContact O-CB 3.14Å; I417-F420 PolarHBondContact O-N 3.43Å; I417-A421 PolarHBondContact O-N 3.09Å
418G90.1Very high85.9Confident0 Ų035.7 Ų35.70%017%0.169CC..Hα-helixtrans-59.8-43.3174.300000111.9T396 L414 A415 A421 I422T396-G418 VanDerWaalsContact OG1-CA 3.25Å; T396-G418 WeakPolarHBondContact OG1-CA 3.4Å; L414-G418 PolarHBondContact O-N 3.29Å; A415-G418 PolarHBondContact O-N 3.43Å; G418-A421 PolarHBondContact O-N 3.38Å; G418-I422 WeakPolarHBondContact O-CB 3.4Å; G418-I422 VanDerWaalsContact O-CG1 3.25Å; G418-I422 WeakPolarHBondContact O-CG1 3.33Å; G418-I422 PolarHBondContact O-N 3.34Å
419K89.6Confident87Confident2 Ų228.1 Ų28.11%0.00914%0.136CC..Hα-helixtrans-61-47175.7-175.362.3168.3179.80111.5Y341 L344 V365 A415 T416 I417 A421 I422 T423Y341-K419 HydrophobicContact CD2-CD 4.39Å; Y341-K419 VanDerWaalsContact CZ-NZ 3.26Å; Y341-K419 PolarHBondContact O-NZ 3.24Å; L344-K419 HydrophobicContact CB-CD 4.35Å; L344-K419 HydrophobicContact CD1-CB 4.38Å; V365-K419 HydrophobicContact CG2-CB 4.32Å; V365-K419 HydrophobicContact CG2-CG 3.96Å; A415-K419 WeakPolarHBondContact O-CB 3.23Å; A415-K419 PolarHBondContact O-N 3.28Å; T416-K419 PolarHBondContact O-N 3.3Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 2.98Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 2.7Å; K419-I422 PolarHBondContact O-N 3.29Å; K419-T423 WeakPolarHBondContact O-CB 3.44Å; K419-T423 PolarHBondContact O-N 2.86Å; K419-T423 PolarHBondContact O-OG1 2.9Å
420F92.2Very high87.7Confident55 Ų5524.1 Ų24.124%0.24112%0.121CC..Hα-helixtrans-53.6-50.1174.5167.5-93.4000112V365 P368 A369 I372 T416 I417 I422 T423 A424V365-F420 HydrophobicContact CB-CB 4.1Å; V365-F420 HydrophobicContact CG1-CB 4.44Å; P368-F420 HydrophobicContact CB-CE2 4.28Å; P368-F420 HydrophobicContact CG-CD2 4.41Å; P368-F420 HydrophobicContact CG-CE2 4.39Å; A369-F420 VanDerWaalsContact CA-CE2 3.49Å; A369-F420 HydrophobicContact CB-CD2 3.79Å; A369-F420 HydrophobicContact CB-CE2 3.86Å; I372-F420 HydrophobicContact CD1-CE2 4.05Å; I372-F420 HydrophobicContact CD1-CZ 3.81Å; T416-F420 PolarHBondContact O-N 3.31Å; I417-F420 WeakPolarHBondContact O-CB 3.14Å; I417-F420 PolarHBondContact O-N 3.43Å; F420-I422 PolarHBondContact O-N 2.94Å; F420-T423 PolarHBondContact O-N 3.46Å; F420-A424 WeakPolarHBondContact O-CB 3.39Å; F420-A424 PolarHBondContact O-N 2.97Å
421A94.4Very high88.1Confident3 Ų324.6 Ų24.63%0.02513%0.126CC..Hα-helixtrans-64.8-40.6-178.200000112.5S389 F392 I417 G418 K419 A424 S425S389-A421 WeakPolarHBondContact CB-O 3.43Å; F392-A421 HydrophobicContact CD1-CB 3.96Å; I417-A421 PolarHBondContact O-N 3.09Å; G418-A421 PolarHBondContact O-N 3.38Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 2.7Å; A421-A424 PolarHBondContact O-N 3.49Å; A421-S425 PolarHBondContact O-N 3.06Å
422I94.1Very high88.7Confident0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-70.4-42.1178.2-68.7-70.1000111.2N337 V340 Y341 G418 K419 F420 A424 S425 Y426N337-I422 WeakPolarHBondContact OD1-CG2 3.49Å; N337-I422 PolarHBondContact OD1-O 3.42Å; V340-I422 HydrophobicContact CB-CD1 4.04Å; V340-I422 HydrophobicContact CB-CG1 4.39Å; V340-I422 HydrophobicContact CB-CG2 4.3Å; V340-I422 HydrophobicContact CG1-CB 4.47Å; V340-I422 HydrophobicContact CG1-CD1 3.63Å; V340-I422 HydrophobicContact CG1-CG1 3.61Å; V340-I422 HydrophobicContact CG1-CG2 4.21Å; Y341-I422 HydrophobicContact CD2-CG2 4.46Å; G418-I422 WeakPolarHBondContact O-CB 3.4Å; G418-I422 VanDerWaalsContact O-CG1 3.25Å; G418-I422 WeakPolarHBondContact O-CG1 3.33Å; G418-I422 PolarHBondContact O-N 3.34Å; K419-I422 PolarHBondContact O-N 3.29Å; F420-I422 PolarHBondContact O-N 2.94Å; I422-A424 VanDerWaalsContact C-N 3.32Å; I422-A424 PolarHBondContact O-N 2.98Å; I422-S425 WeakPolarHBondContact O-CB 3.44Å; I422-S425 PolarHBondContact O-N 2.99Å; I422-S425 VanDerWaalsContact O-N 3.1Å; I422-S425 PolarHBondContact O-OG 3.49Å; I422-Y426 PolarHBondContact O-N 3.47Å
423T91.9Very high89.4Confident8 Ų823.6 Ų23.65%0.04912%0.12CC..Hα-helixtrans-58.9-44.8172.5-59.50000111.1E366 A369 K419 F420 S425 Y426 D427E366-T423 HydrophobicContact CB-CG2 4.04Å; E366-T423 HydrophobicContact CG-CG2 3.95Å; A369-T423 HydrophobicContact CB-CG2 3.99Å; K419-T423 WeakPolarHBondContact O-CB 3.44Å; K419-T423 PolarHBondContact O-N 2.86Å; K419-T423 PolarHBondContact O-OG1 2.9Å; F420-T423 PolarHBondContact O-N 3.46Å; T423-S425 VanDerWaalsContact C-N 3.27Å; T423-S425 PolarHBondContact O-N 3.45Å; T423-Y426 WeakPolarHBondContact O-CA 3.32Å; T423-Y426 VanDerWaalsContact O-CB 3.23Å; T423-Y426 WeakPolarHBondContact O-CB 3.3Å; T423-Y426 PolarHBondContact O-N 3.06Å; T423-D427 PolarHBondContact O-N 3.12Å
424A92.3Very high89.6Confident7 Ų722.2 Ų22.26%0.05811%0.114CC..Hα-helixtrans-58.6-41.5175.200000111.8A369 T373 F420 A421 I422 Y426 D427 I428A369-A424 HydrophobicContact CB-CB 4.25Å; T373-A424 VanDerWaalsContact CG2-CA 3.42Å; T373-A424 HydrophobicContact CG2-CB 3.5Å; T373-A424 VanDerWaalsContact CG2-CB 3.5Å; T373-A424 WeakPolarHBondContact CG2-O 3.34Å; F420-A424 WeakPolarHBondContact O-CB 3.39Å; F420-A424 PolarHBondContact O-N 2.97Å; A421-A424 PolarHBondContact O-N 3.49Å; I422-A424 VanDerWaalsContact C-N 3.32Å; I422-A424 PolarHBondContact O-N 2.98Å; A424-Y426 VanDerWaalsContact C-N 3.27Å; A424-Y426 PolarHBondContact O-N 3.45Å; A424-D427 PolarHBondContact O-N 2.72Å; A424-I428 VanDerWaalsContact O-CD1 3.28Å; A424-I428 WeakPolarHBondContact O-CD1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.42Å; A424-I428 PolarHBondContact O-N 3.01Å; A424-I428 VanDerWaalsContact O-N 3.13Å
425S93.7Very high89.6Confident0 Ų022.8 Ų22.80%012%0.116CC..Hα-helixtrans-64.4-31.8176.282.70000112.9N337 S389 A421 I422 T423 L429N337-S425 VanDerWaalsContact CG-OG 3.24Å; N337-S425 VanDerWaalsContact ND2-C 3.32Å; N337-S425 PolarHBondContact ND2-O 3.04Å; N337-S425 PolarHBondContact ND2-OG 2.76Å; N337-S425 PolarHBondContact OD1-OG 3.32Å; S389-S425 WeakPolarHBondContact OG-CA 3.27Å; S389-S425 VanDerWaalsContact OG-CB 3.26Å; S389-S425 WeakPolarHBondContact OG-CB 3.25Å; A421-S425 PolarHBondContact O-N 3.06Å; I422-S425 WeakPolarHBondContact O-CB 3.44Å; I422-S425 PolarHBondContact O-N 2.99Å; I422-S425 VanDerWaalsContact O-N 3.1Å; I422-S425 PolarHBondContact O-OG 3.49Å; T423-S425 VanDerWaalsContact C-N 3.27Å; T423-S425 PolarHBondContact O-N 3.45Å; S425-L429 VanDerWaalsContact O-CB 3.27Å; S425-L429 WeakPolarHBondContact O-CB 3.12Å; S425-L429 PolarHBondContact O-N 3.05Å
426Y90.8Very high89.9Confident48 Ų4822.6 Ų22.619%0.18811%0.113CC..Hα-helixtrans-64-48.7176.3-140.3-92.7000111.4N337 S338 I422 T423 A424 I428 L429 Y430N337-Y426 HydrophobicContact CB-CD2 4.34Å; N337-Y426 VanDerWaalsContact ND2-CA 3.27Å; N337-Y426 WeakPolarHBondContact ND2-CA 3.29Å; N337-Y426 PolarHBondContact ND2-N 2.9Å; N337-Y426 VanDerWaalsContact ND2-N 3.2Å; N337-Y426 WeakPolarHBondContact OD1-CD2 3.36Å; S338-Y426 WeakPolarHBondContact OG-CE2 3.39Å; S338-Y426 PolarHBondContact OG-OH 3.05Å; I422-Y426 PolarHBondContact O-N 3.47Å; T423-Y426 WeakPolarHBondContact O-CA 3.32Å; T423-Y426 VanDerWaalsContact O-CB 3.23Å; T423-Y426 WeakPolarHBondContact O-CB 3.3Å; T423-Y426 PolarHBondContact O-N 3.06Å; A424-Y426 VanDerWaalsContact C-N 3.27Å; A424-Y426 PolarHBondContact O-N 3.45Å; Y426-I428 PolarHBondContact O-N 3.3Å; Y426-L429 PolarHBondContact O-N 3.45Å; Y426-Y430 HydrophobicContact CD1-CD2 4.07Å; Y426-Y430 AromaticContact CD1-CE2 3.63Å; Y426-Y430 HydrophobicContact CD1-CE2 3.63Å; Y426-Y430 HydrophobicContact CE1-CD2 4.37Å; Y426-Y430 AromaticContact CE1-CE2 3.5Å; Y426-Y430 HydrophobicContact CE1-CE2 3.5Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.44Å; Y426-Y430 PolarHBondContact O-N 3.24Å
427D88.4Confident90Very high46 Ų4621.7 Ų21.725%0.24611%0.108CC..Hα-helixtrans-61.2-44.6176.6-69.6-28.6000111.9A370 T373 T423 A424 L429 Y430 A431A370-D427 WeakPolarHBondContact CA-OD2 3.22Å; T373-D427 HydrophobicContact CG2-CB 4.06Å; T423-D427 PolarHBondContact O-N 3.12Å; A424-D427 PolarHBondContact O-N 2.72Å; D427-L429 VanDerWaalsContact C-N 3.31Å; D427-L429 PolarHBondContact O-N 3.11Å; D427-Y430 PolarHBondContact O-N 3.01Å; D427-A431 PolarHBondContact O-N 3.12Å
428I90.6Very high89.8Confident0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-62.5-41.9178.3-64.7158.9000110.2T373 L376 M377 L386 A424 Y426 Y430 A431 Y432T373-I428 HydrophobicContact CG2-CD1 4.24Å; T373-I428 HydrophobicContact CG2-CG1 4.12Å; L376-I428 HydrophobicContact CD2-CD1 4.49Å; M377-I428 HydrophobicContact CG-CG1 3.9Å; M377-I428 HydrophobicContact CG-CG2 4.33Å; M377-I428 HydrophobicContact SD-CB 4.39Å; M377-I428 HydrophobicContact SD-CG1 3.95Å; M377-I428 HydrophobicContact SD-CG2 4.46Å; L386-I428 HydrophobicContact CB-CG2 3.9Å; L386-I428 HydrophobicContact CD1-CG2 4.42Å; A424-I428 VanDerWaalsContact O-CD1 3.28Å; A424-I428 WeakPolarHBondContact O-CD1 3.3Å; A424-I428 WeakPolarHBondContact O-CG1 3.42Å; A424-I428 PolarHBondContact O-N 3.01Å; A424-I428 VanDerWaalsContact O-N 3.13Å; Y426-I428 PolarHBondContact O-N 3.3Å; I428-Y430 PolarHBondContact O-N 2.77Å; I428-A431 PolarHBondContact O-N 3.17Å; I428-Y432 WeakPolarHBondContact O-CB 3.19Å; I428-Y432 PolarHBondContact O-N 3.03Å
429L91.5Very high89.3Confident1 Ų122.4 Ų22.41%0.00512%0.115CC..Hα-helixtrans-61.8-42.4-178.6-176.663.2000112I330 V333 W334 N337 L386 S425 Y426 D427 Y432 A433I330-L429 HydrophobicContact CG2-CD1 4.45Å; V333-L429 HydrophobicContact CB-CD1 4.46Å; V333-L429 HydrophobicContact CG1-CD1 3.74Å; V333-L429 HydrophobicContact CG1-CD2 4.13Å; W334-L429 HydrophobicContact CB-CD2 3.87Å; W334-L429 HydrophobicContact CD2-CD2 3.69Å; W334-L429 HydrophobicContact CD2-CG 4.29Å; W334-L429 HydrophobicContact CE3-CD2 3.86Å; W334-L429 HydrophobicContact CE3-CG 3.98Å; W334-L429 HydrophobicContact CG-CD2 3.72Å; W334-L429 HydrophobicContact CZ3-CG 4.29Å; N337-L429 HydrophobicContact CB-CD2 4.49Å; L386-L429 HydrophobicContact CD1-CB 4.46Å; L386-L429 HydrophobicContact CD2-CD1 4.48Å; S425-L429 VanDerWaalsContact O-CB 3.27Å; S425-L429 WeakPolarHBondContact O-CB 3.12Å; S425-L429 PolarHBondContact O-N 3.05Å; Y426-L429 PolarHBondContact O-N 3.45Å; D427-L429 VanDerWaalsContact C-N 3.31Å; D427-L429 PolarHBondContact O-N 3.11Å; L429-Y432 PolarHBondContact O-N 3.05Å; L429-A433 VanDerWaalsContact O-CB 3.24Å; L429-A433 WeakPolarHBondContact O-CB 3.45Å; L429-A433 PolarHBondContact O-N 3.02Å
430Y87.3Confident88.9Confident89 Ų8925.6 Ų25.635%0.34914%0.135SC..Hα-helixtrans-61.7-46.4175.4-88.5-76.8000112.3W334 Y426 D427 I428 N434W334-Y430 AromaticContact CH2-CD1 3.69Å; W334-Y430 HydrophobicContact CH2-CD1 3.69Å; W334-Y430 AromaticContact CH2-CE1 3.66Å; W334-Y430 HydrophobicContact CH2-CE1 3.66Å; W334-Y430 HydrophobicContact CH2-CG 4.23Å; W334-Y430 AromaticContact CZ2-CD1 3.88Å; W334-Y430 HydrophobicContact CZ2-CD1 3.88Å; W334-Y430 HydrophobicContact CZ2-CD2 4.41Å; W334-Y430 AromaticContact CZ2-CE1 3.42Å; W334-Y430 HydrophobicContact CZ2-CE1 3.42Å; W334-Y430 VanDerWaalsContact CZ2-CE1 3.42Å; W334-Y430 HydrophobicContact CZ2-CE2 4.01Å; W334-Y430 HydrophobicContact CZ2-CG 4.35Å; W334-Y430 AromaticContact CZ2-CZ 3.48Å; W334-Y430 VanDerWaalsContact CZ2-CZ 3.48Å; Y426-Y430 HydrophobicContact CD1-CD2 4.07Å; Y426-Y430 AromaticContact CD1-CE2 3.63Å; Y426-Y430 HydrophobicContact CD1-CE2 3.63Å; Y426-Y430 HydrophobicContact CE1-CD2 4.37Å; Y426-Y430 AromaticContact CE1-CE2 3.5Å; Y426-Y430 HydrophobicContact CE1-CE2 3.5Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.44Å; Y426-Y430 PolarHBondContact O-N 3.24Å; D427-Y430 PolarHBondContact O-N 3.01Å; I428-Y430 PolarHBondContact O-N 2.77Å; Y430-N434 PolarHBondContact O-N 3.09Å; Y430-N434 VanDerWaalsContact O-N 3.15Å; Y430-N434 PolarHBondContact O-ND2 3.38Å
431A85.4Confident88.5Confident30 Ų3023 Ų2325%0.24812%0.124CC..Hα-helixtrans-65.7-42.1178.600000111.4M377 D427 I428 N434 E435M377-A431 HydrophobicContact CE-CB 3.3Å; M377-A431 HydrophobicContact SD-CB 4.14Å; D427-A431 PolarHBondContact O-N 3.12Å; I428-A431 PolarHBondContact O-N 3.17Å; A431-N434 WeakPolarHBondContact O-CB 3.19Å; A431-N434 PolarHBondContact O-N 3.4Å; A431-E435 WeakPolarHBondContact O-CG 3.48Å; A431-E435 PolarHBondContact O-N 3.06Å; A431-E435 VanDerWaalsContact O-N 3.15Å
432Y89.4Confident88Confident0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-68.2-39-179-167-155.9000112.2R382 L386 I428 L429 N434 E435 L436 L492 P493 T495R382-Y432 HydrophobicContact CB-CD2 3.54Å; R382-Y432 HydrophobicContact CB-CE2 3.9Å; R382-Y432 HydrophobicContact CB-CG 3.91Å; R382-Y432 HydrophobicContact CG-CD2 4.24Å; L386-Y432 HydrophobicContact CD2-CD1 3.84Å; L386-Y432 HydrophobicContact CD2-CE1 4.06Å; I428-Y432 WeakPolarHBondContact O-CB 3.19Å; I428-Y432 PolarHBondContact O-N 3.03Å; L429-Y432 PolarHBondContact O-N 3.05Å; Y432-N434 PolarHBondContact O-N 2.81Å; Y432-E435 PolarHBondContact O-N 3.02Å; Y432-L436 HydrophobicContact CD1-CD1 3.96Å; Y432-L436 HydrophobicContact CD2-CD1 3.71Å; Y432-L436 HydrophobicContact CD2-CD2 4.5Å; Y432-L436 HydrophobicContact CD2-CG 3.8Å; Y432-L436 HydrophobicContact CE1-CD1 3.88Å; Y432-L436 HydrophobicContact CE2-CD1 3.61Å; Y432-L436 HydrophobicContact CE2-CD2 3.96Å; Y432-L436 HydrophobicContact CE2-CG 3.73Å; Y432-L436 HydrophobicContact CG-CD1 3.89Å; Y432-L436 HydrophobicContact CG-CG 4.4Å; Y432-L436 WeakPolarHBondContact O-CB 3.31Å; Y432-L436 VanDerWaalsContact O-CG 3.29Å; Y432-L436 WeakPolarHBondContact O-CG 3.1Å; Y432-L436 PolarHBondContact O-N 3.1Å; Y432-L492 HydrophobicContact CE1-CB 4.11Å; Y432-L492 HydrophobicContact CE1-CD1 3.79Å; Y432-L492 VanDerWaalsContact OH-CB 3.31Å; Y432-L492 WeakPolarHBondContact OH-CB 3.4Å; Y432-P493 WeakPolarHBondContact CE2-O 3.14Å; Y432-P493 PolarHBondContact OH-O 3.29Å; Y432-T495 HydrophobicContact CD2-CG2 4.06Å; Y432-T495 HydrophobicContact CE2-CG2 3.73Å
433A89.4Confident87.3Confident0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-63.8-39.3173.600000112.1I330 W334 L429 E435 L436 Y437 I446I330-A433 HydrophobicContact CD1-CB 4.44Å; I330-A433 HydrophobicContact CG2-CB 4.39Å; W334-A433 HydrophobicContact CH2-CB 4.49Å; W334-A433 HydrophobicContact CZ3-CB 3.77Å; L429-A433 VanDerWaalsContact O-CB 3.24Å; L429-A433 WeakPolarHBondContact O-CB 3.45Å; L429-A433 PolarHBondContact O-N 3.02Å; A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.33Å; A433-L436 PolarHBondContact O-N 3.1Å; A433-Y437 HydrophobicContact CB-CD2 4.31Å; A433-Y437 HydrophobicContact CB-CE2 4.34Å; A433-Y437 VanDerWaalsContact O-CD2 3.23Å; A433-Y437 WeakPolarHBondContact O-CD2 3.21Å; A433-Y437 PolarHBondContact O-N 2.88Å; A433-I446 HydrophobicContact CB-CD1 4.42Å; A433-I446 HydrophobicContact CB-CG1 3.93Å
434N85.9Confident87Confident68 Ų6829.5 Ų29.536%0.36416%0.164SC..Hα-helixtrans-61.7-36174.2-82-60.4000112.8Y430 A431 Y432 R442 I446Y430-N434 PolarHBondContact O-N 3.09Å; Y430-N434 VanDerWaalsContact O-N 3.15Å; Y430-N434 PolarHBondContact O-ND2 3.38Å; A431-N434 WeakPolarHBondContact O-CB 3.19Å; A431-N434 PolarHBondContact O-N 3.4Å; Y432-N434 PolarHBondContact O-N 2.81Å; N434-R442 WeakPolarHBondContact O-CD 3.36Å; N434-R442 PolarHBondContact O-NE 3.17Å; N434-R442 WeakPolarHBondContact OD1-CD 3.46Å; N434-I446 HydrophobicContact CB-CD1 4.46Å; N434-I446 WeakPolarHBondContact OD1-CD1 3.48Å
435E86Confident86.6Confident37 Ų3729.1 Ų29.117%0.17316%0.161CC..Hα-helixtrans-80.5-33.1179.1-68.2176.3-174.400112.9R382 A431 Y432 A433 T495R382-E435 WeakPolarHBondContact CD-OE2 3.27Å; R382-E435 WeakPolarHBondContact CG-OE2 3.39Å; R382-E435 IonicContact CZ-OE1 3.14Å; R382-E435 VanDerWaalsContact CZ-OE1 3.32Å; R382-E435 IonicContact CZ-OE2 2.71Å; R382-E435 VanDerWaalsContact NE-CD 3.34Å; R382-E435 IonicContact NE-OE1 3Å; R382-E435 PolarHBondContact NE-OE1 3.36Å; R382-E435 IonicContact NE-OE2 2.66Å; R382-E435 PolarHBondContact NE-OE2 2.9Å; R382-E435 IonicContact NH2-OE1 2.76Å; R382-E435 PolarHBondContact NH2-OE1 3.32Å; A431-E435 WeakPolarHBondContact O-CG 3.48Å; A431-E435 PolarHBondContact O-N 3.06Å; A431-E435 VanDerWaalsContact O-N 3.15Å; Y432-E435 PolarHBondContact O-N 3.02Å; A433-E435 VanDerWaalsContact C-N 3.29Å; A433-E435 PolarHBondContact O-N 3.33Å; E435-T495 HydrophobicContact CB-CG2 3.92Å; E435-T495 WeakPolarHBondContact OE2-CB 3.48Å; E435-T495 PolarHBondContact OE2-OG1 3.33Å
436L88.6Confident86.3Confident1 Ų130.2 Ų30.21%0.00517%0.166CC..Hα-helixtrans-76.6-40.3-179.4-76172000112.8I326 I330 Y432 A433 L492 P493 T495 M507I326-L436 HydrophobicContact CD1-CD2 4.46Å; I326-L436 HydrophobicContact CG2-CB 4.18Å; I326-L436 HydrophobicContact CG2-CD1 4.45Å; I330-L436 HydrophobicContact CD1-CB 3.96Å; I330-L436 HydrophobicContact CD1-CD1 3.48Å; I330-L436 VanDerWaalsContact CD1-CD1 3.48Å; I330-L436 HydrophobicContact CD1-CG 4.37Å; I330-L436 HydrophobicContact CG1-CD1 4.04Å; Y432-L436 HydrophobicContact CD1-CD1 3.96Å; Y432-L436 HydrophobicContact CD2-CD1 3.71Å; Y432-L436 HydrophobicContact CD2-CD2 4.5Å; Y432-L436 HydrophobicContact CD2-CG 3.8Å; Y432-L436 HydrophobicContact CE1-CD1 3.88Å; Y432-L436 HydrophobicContact CE2-CD1 3.61Å; Y432-L436 HydrophobicContact CE2-CD2 3.96Å; Y432-L436 HydrophobicContact CE2-CG 3.73Å; Y432-L436 HydrophobicContact CG-CD1 3.89Å; Y432-L436 HydrophobicContact CG-CG 4.4Å; Y432-L436 WeakPolarHBondContact O-CB 3.31Å; Y432-L436 VanDerWaalsContact O-CG 3.29Å; Y432-L436 WeakPolarHBondContact O-CG 3.1Å; Y432-L436 PolarHBondContact O-N 3.1Å; A433-L436 PolarHBondContact O-N 3.1Å; L436-L492 HydrophobicContact CD1-CD2 4.34Å; L436-P493 HydrophobicContact CD2-CG 3.69Å; L436-T495 HydrophobicContact CD2-CG2 3.71Å; L436-T495 HydrophobicContact CG-CG2 4.03Å; L436-M507 WeakPolarHBondContact O-CE 3.49Å
437Y87.9Confident85.9Confident0 Ų031.7 Ų31.70%018%0.18CC..SBendtrans-82.3133.9180-70.1-67.4000111.9L317 L323 T327 I330 A433 R442 G445 I446L317-Y437 HydrophobicContact CD2-CD1 4.33Å; L317-Y437 HydrophobicContact CD2-CE1 4.03Å; L323-Y437 HydrophobicContact CD1-CD1 3.9Å; L323-Y437 HydrophobicContact CD1-CE1 4.14Å; T327-Y437 WeakPolarHBondContact CA-OH 3.19Å; I330-Y437 HydrophobicContact CD1-CD2 4.47Å; I330-Y437 HydrophobicContact CD1-CE2 3.88Å; I330-Y437 HydrophobicContact CG2-CE2 4.31Å; A433-Y437 HydrophobicContact CB-CD2 4.31Å; A433-Y437 HydrophobicContact CB-CE2 4.34Å; A433-Y437 VanDerWaalsContact O-CD2 3.23Å; A433-Y437 WeakPolarHBondContact O-CD2 3.21Å; A433-Y437 PolarHBondContact O-N 2.88Å; Y437-R442 PolarHBondContact O-NE 2.98Å; Y437-R442 PolarHBondContact O-NH2 2.83Å; Y437-G445 VanDerWaalsContact CE2-C 3.49Å; Y437-I446 HydrophobicContact CD2-CG1 4.17Å; Y437-I446 HydrophobicContact CE2-CG1 4.49Å
438P85.7Confident85.8Confident0 Ų030.6 Ų30.60%018%0.176CC..  trans-69151.6175.729.9-33.8000110.7T440 V441 R442 P501 I504 M507P438-T440 PolarHBondContact O-N 3.17Å; P438-V441 HydrophobicContact CG-CG2 3.58Å; P438-V441 CarbonylContact O-C 3.55Å; P438-V441 PolarHBondContact O-N 3.44Å; P438-R442 WeakPolarHBondContact O-CB 3.12Å; P438-R442 PolarHBondContact O-N 3.33Å; P438-P501 WeakPolarHBondContact CA-O 3.5Å; P438-P501 HydrophobicContact CB-CB 4.13Å; P438-P501 HydrophobicContact CB-CG 4.19Å; P438-I504 HydrophobicContact CG-CG1 4.18Å; P438-M507 HydrophobicContact CG-SD 4.2Å
439T81.4Confident85.6Confident75 Ų7530.6 Ų30.646%0.4618%0.176SC..THydrogen-bonded Turntrans-51.3-38.4-171.1-29.50000112.9V441 R442 P501 Q502T439-V441 PolarHBondContact O-N 3.33Å; T439-R442 PolarHBondContact OG1-NH2 2.9Å; T439-P501 PolarHBondContact N-O 2.96Å; T439-P501 PolarHBondContact OG1-O 3.38Å; T439-Q502 PolarHBondContact N-O 3.33Å; T439-Q502 WeakPolarHBondContact OG1-CA 3.3Å
440T80Confident85.3Confident69 Ų6931.8 Ų31.842%0.42318%0.184SC..THydrogen-bonded Turntrans-63.1-34.6-17956.80000113.9P312 P438P312-T440 WeakPolarHBondContact CG-O 3.36Å; P438-T440 PolarHBondContact O-N 3.17Å
441V83.7Confident85.2Confident1 Ų130.4 Ų30.41%0.00618%0.182CC..THydrogen-bonded Turntrans-1196-178.6-65.60000113.2P312 D316 L317 L323 P438 T439 A443 I444 G445 I504P312-V441 HydrophobicContact CB-CG1 4.09Å; D316-V441 HydrophobicContact CB-CG1 3.98Å; L317-V441 HydrophobicContact CD2-CB 4.02Å; L317-V441 HydrophobicContact CD2-CG2 4.18Å; L323-V441 HydrophobicContact CD2-CG2 4.25Å; P438-V441 HydrophobicContact CG-CG2 3.58Å; P438-V441 CarbonylContact O-C 3.55Å; P438-V441 PolarHBondContact O-N 3.44Å; T439-V441 PolarHBondContact O-N 3.33Å; V441-A443 PolarHBondContact O-N 3.26Å; V441-I444 PolarHBondContact O-N 3.08Å; V441-G445 PolarHBondContact O-N 3.42Å; V441-I504 HydrophobicContact CG1-CD1 4.09Å; V441-I504 HydrophobicContact CG2-CG1 4.35Å
442R84.7Confident85.4Confident47 Ų4732 Ų3218%0.17719%0.186CC..Hα-helixtrans-55.5-52.5-176.5-176.4-176.9-60.9132.47.5113.1N434 Y437 P438 T439 I444 G445 I446N434-R442 WeakPolarHBondContact O-CD 3.36Å; N434-R442 PolarHBondContact O-NE 3.17Å; N434-R442 WeakPolarHBondContact OD1-CD 3.46Å; Y437-R442 PolarHBondContact O-NE 2.98Å; Y437-R442 PolarHBondContact O-NH2 2.83Å; P438-R442 WeakPolarHBondContact O-CB 3.12Å; P438-R442 PolarHBondContact O-N 3.33Å; T439-R442 PolarHBondContact OG1-NH2 2.9Å; R442-I444 VanDerWaalsContact C-N 3.28Å; R442-I444 PolarHBondContact O-N 3.33Å; R442-G445 PolarHBondContact O-N 3.33Å; R442-I446 HydrophobicContact CG-CD1 3.89Å; R442-I446 WeakPolarHBondContact O-CG1 3.32Å; R442-I446 PolarHBondContact O-N 2.95Å
443A79.2Confident85.4Confident71 Ų7132 Ų3259%0.58719%0.187SC*.Hα-helixtrans-58.8-43.8179.600000110.9V441 T447V441-A443 PolarHBondContact O-N 3.26Å; A443-T447 WeakPolarHBondContact O-CB 3.25Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.23Å; A443-T447 PolarHBondContact O-OG1 2.7Å
444I84.5Confident85.2Confident29 Ų2934.8 Ų34.815%0.14920%0.2CC..Hα-helixtrans-68.2-41.1-178.6-57.6175.2000111.5P312 V314 L317 V441 R442 T447 T448P312-I444 VanDerWaalsContact C-CD1 3.42Å; P312-I444 HydrophobicContact CB-CD1 3.65Å; P312-I444 HydrophobicContact CG-CD1 3.72Å; P312-I444 WeakPolarHBondContact O-CD1 3.25Å; V314-I444 HydrophobicContact CB-CG2 4.37Å; V314-I444 HydrophobicContact CG2-CG2 3.86Å; L317-I444 HydrophobicContact CD1-CG2 3.98Å; L317-I444 HydrophobicContact CG-CG2 4.3Å; V441-I444 PolarHBondContact O-N 3.08Å; R442-I444 VanDerWaalsContact C-N 3.28Å; R442-I444 PolarHBondContact O-N 3.33Å; I444-T447 WeakPolarHBondContact CA-OG1 3.37Å; I444-T447 PolarHBondContact O-OG1 3.41Å; I444-T447 VanDerWaalsContact O-OG1 3.13Å; I444-T448 WeakPolarHBondContact O-CB 3.29Å; I444-T448 PolarHBondContact O-N 2.92Å; I444-T448 PolarHBondContact O-OG1 3.08Å
445G85.8Confident85.3Confident0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-63.7-44.817800000112.3Y437 V441 R442 G449Y437-G445 VanDerWaalsContact CE2-C 3.49Å; V441-G445 PolarHBondContact O-N 3.42Å; R442-G445 PolarHBondContact O-N 3.33Å; G445-G449 PolarHBondContact O-N 3.33Å; G445-G449 VanDerWaalsContact O-N 3.15Å
446I85.7Confident85.3Confident22 Ų2235 Ų3511%0.11320%0.204CC..Hα-helixtrans-65.3-49176.5-69.4171.8000110.7W334 A433 N434 Y437 R442 T448 G449 S450W334-I446 HydrophobicContact CH2-CG2 3.79Å; W334-I446 HydrophobicContact CZ3-CG2 4.4Å; A433-I446 HydrophobicContact CB-CD1 4.42Å; A433-I446 HydrophobicContact CB-CG1 3.93Å; N434-I446 HydrophobicContact CB-CD1 4.46Å; N434-I446 WeakPolarHBondContact OD1-CD1 3.48Å; Y437-I446 HydrophobicContact CD2-CG1 4.17Å; Y437-I446 HydrophobicContact CE2-CG1 4.49Å; R442-I446 HydrophobicContact CG-CD1 3.89Å; R442-I446 WeakPolarHBondContact O-CG1 3.32Å; R442-I446 PolarHBondContact O-N 2.95Å; I446-T448 PolarHBondContact O-N 2.83Å; I446-G449 PolarHBondContact O-N 3.32Å; I446-S450 PolarHBondContact O-N 3.44Å; I446-S450 PolarHBondContact O-OG 2.9Å
447T82.8Confident85.3Confident79 Ų7935.7 Ų35.749%0.48521%0.209SC..Hα-helixtrans-66-37-17855.30000112.5A443 I444 S450 L451A443-T447 WeakPolarHBondContact O-CB 3.25Å; A443-T447 WeakPolarHBondContact O-CG2 3.44Å; A443-T447 PolarHBondContact O-N 3.23Å; A443-T447 PolarHBondContact O-OG1 2.7Å; I444-T447 WeakPolarHBondContact CA-OG1 3.37Å; I444-T447 PolarHBondContact O-OG1 3.41Å; I444-T447 VanDerWaalsContact O-OG1 3.13Å; T447-S450 WeakPolarHBondContact CA-OG 3.39Å; T447-S450 PolarHBondContact O-OG 2.68Å; T447-L451 WeakPolarHBondContact O-CB 3.38Å; T447-L451 PolarHBondContact O-N 3.46Å
448T86.7Confident85.2Confident24 Ų2437.6 Ų37.615%0.14722%0.218CC..Hα-helixtrans-63.8-46.9176-57.60000110.9V314 L317 I444 I446 L451 I452V314-T448 HydrophobicContact CG1-CG2 4.34Å; L317-T448 HydrophobicContact CD1-CG2 4.33Å; I444-T448 WeakPolarHBondContact O-CB 3.29Å; I444-T448 PolarHBondContact O-N 2.92Å; I444-T448 PolarHBondContact O-OG1 3.08Å; I446-T448 PolarHBondContact O-N 2.83Å; T448-L451 PolarHBondContact O-N 3.11Å; T448-I452 HydrophobicContact CG2-CD1 4.12Å; T448-I452 WeakPolarHBondContact O-CG1 3.31Å; T448-I452 PolarHBondContact O-N 3.26Å; T448-I452 VanDerWaalsContact O-N 3.17Å
449G86.7Confident85.2Confident0 Ų042 Ų420%024%0.241CC..Hα-helixtrans-60-48.2176.200000112.4G445 I446 L451 I452 A453G445-G449 PolarHBondContact O-N 3.33Å; G445-G449 VanDerWaalsContact O-N 3.15Å; I446-G449 PolarHBondContact O-N 3.32Å; G449-L451 PolarHBondContact O-N 3.29Å; G449-I452 PolarHBondContact O-N 2.69Å; G449-A453 WeakPolarHBondContact O-CB 3.04Å; G449-A453 PolarHBondContact O-N 2.87Å; G449-A453 VanDerWaalsContact O-N 3.1Å
450S83.9Confident85.5Confident26 Ų2638.7 Ų38.718%0.18222%0.22CC..Hα-helixtrans-66.5-35.7179.361.50000113.2I446 T447 A453 M454I446-S450 PolarHBondContact O-N 3.44Å; I446-S450 PolarHBondContact O-OG 2.9Å; T447-S450 WeakPolarHBondContact CA-OG 3.39Å; T447-S450 PolarHBondContact O-OG 2.68Å; S450-A453 PolarHBondContact O-N 3.29Å; S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.43Å; S450-M454 PolarHBondContact O-N 3.09Å
451L86.2Confident85.8Confident59 Ų5935.9 Ų35.931%0.30920%0.203SC..Hα-helixtrans-68.1-41.9-179.7-175.7145.8000111.4L140 T447 T448 G449 A453 M454 I455L140-L451 HydrophobicContact CD1-CD1 4.45Å; L140-L451 HydrophobicContact CD2-CD1 3.88Å; L140-L451 HydrophobicContact CG-CD1 4.48Å; T447-L451 WeakPolarHBondContact O-CB 3.38Å; T447-L451 PolarHBondContact O-N 3.46Å; T448-L451 PolarHBondContact O-N 3.11Å; G449-L451 PolarHBondContact O-N 3.29Å; L451-A453 VanDerWaalsContact C-N 3.32Å; L451-M454 PolarHBondContact O-N 2.87Å; L451-I455 HydrophobicContact CD2-CD1 3.83Å; L451-I455 WeakPolarHBondContact O-CG1 3.42Å; L451-I455 PolarHBondContact O-N 3.47Å; L451-I455 VanDerWaalsContact O-N 3.11Å
452I88.7Confident85.9Confident63 Ų6342.7 Ų42.732%0.32323%0.23SC..Hα-helixtrans-62.4-44.3174-68.3166.6000110T331 L335 T448 G449 M454 I455 C456T331-I452 HydrophobicContact CG2-CB 4.07Å; T331-I452 HydrophobicContact CG2-CD1 3.52Å; T331-I452 HydrophobicContact CG2-CG1 4.39Å; T331-I452 HydrophobicContact CG2-CG2 4Å; L335-I452 HydrophobicContact CD1-CG2 4.26Å; T448-I452 HydrophobicContact CG2-CD1 4.12Å; T448-I452 WeakPolarHBondContact O-CG1 3.31Å; T448-I452 PolarHBondContact O-N 3.26Å; T448-I452 VanDerWaalsContact O-N 3.17Å; G449-I452 PolarHBondContact O-N 2.69Å; I452-M454 VanDerWaalsContact C-N 3.33Å; I452-M454 PolarHBondContact O-N 2.92Å; I452-I455 PolarHBondContact O-N 3.44Å; I452-C456 PolarHBondContact O-N 3.42Å
453A90.5Very high85.7Confident2 Ų244.1 Ų44.12%0.01724%0.243CC..Hα-helixtrans-61.7-39.4176.400000112.4W334 S338 G449 S450 L451 I455 C456 V457W334-A453 HydrophobicContact CB-CB 4.46Å; W334-A453 HydrophobicContact CG-CB 4.24Å; S338-A453 WeakPolarHBondContact OG-CB 3.46Å; G449-A453 WeakPolarHBondContact O-CB 3.04Å; G449-A453 PolarHBondContact O-N 2.87Å; G449-A453 VanDerWaalsContact O-N 3.1Å; S450-A453 PolarHBondContact O-N 3.29Å; L451-A453 VanDerWaalsContact C-N 3.32Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.34Å; A453-C456 WeakPolarHBondContact O-CB 3.4Å; A453-C456 PolarHBondContact O-N 2.79Å; A453-C456 VanDerWaalsContact O-N 3.16Å; A453-V457 WeakPolarHBondContact O-CG2 3.33Å; A453-V457 PolarHBondContact O-N 3.12Å
454M85.8Confident85.8Confident58 Ų5841.5 Ų41.529%0.28622%0.219SC..Hα-helixtrans-61.8-39.2175.2-76.9179.6162.700112.8V136 P190 S450 L451 I452 C456 V457 M458V136-M454 HydrophobicContact CG2-CB 3.99Å; P190-M454 HydrophobicContact CG-CE 3.5Å; P190-M454 VanDerWaalsContact CG-CE 3.5Å; S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.43Å; S450-M454 PolarHBondContact O-N 3.09Å; L451-M454 PolarHBondContact O-N 2.87Å; I452-M454 VanDerWaalsContact C-N 3.33Å; I452-M454 PolarHBondContact O-N 2.92Å; M454-C456 VanDerWaalsContact C-N 3.29Å; M454-C456 PolarHBondContact O-N 2.8Å; M454-V457 PolarHBondContact O-N 3.2Å; M454-M458 WeakPolarHBondContact O-CB 3.32Å; M454-M458 PolarHBondContact O-N 2.86Å
455I86.3Confident85.7Confident71 Ų7143.6 Ų43.636%0.36423%0.226SC..Hα-helixtrans-63.3-38.1175.2-65.6166.8000110.6L451 I452 A453 M458 L459L451-I455 HydrophobicContact CD2-CD1 3.83Å; L451-I455 WeakPolarHBondContact O-CG1 3.42Å; L451-I455 PolarHBondContact O-N 3.47Å; L451-I455 VanDerWaalsContact O-N 3.11Å; I452-I455 PolarHBondContact O-N 3.44Å; A453-I455 VanDerWaalsContact C-N 3.35Å; A453-I455 PolarHBondContact O-N 3.34Å; I455-M458 HydrophobicContact CG2-CE 4.47Å; I455-M458 WeakPolarHBondContact O-CB 3.37Å; I455-M458 PolarHBondContact O-N 2.69Å; I455-L459 PolarHBondContact O-N 3.41Å
456C86.9Confident85.5Confident37 Ų3746.7 Ų46.725%0.2525%0.252CS..Hα-helixtrans-67.2-44175.6-66.70000112.3L335 I452 A453 M454 M458 L459 E460L335-C456 WeakPolarHBondContact CD1-SG 3.39Å; L335-C456 HydrophobicContact CG-CB 4.08Å; L335-C456 VanDerWaalsContact CG-SG 3.52Å; I452-C456 PolarHBondContact O-N 3.42Å; A453-C456 WeakPolarHBondContact O-CB 3.4Å; A453-C456 PolarHBondContact O-N 2.79Å; A453-C456 VanDerWaalsContact O-N 3.16Å; M454-C456 VanDerWaalsContact C-N 3.29Å; M454-C456 PolarHBondContact O-N 2.8Å; C456-M458 PolarHBondContact O-N 2.94Å; C456-L459 PolarHBondContact O-N 3.18Å; C456-L459 VanDerWaalsContact O-N 3.12Å; C456-E460 PolarHBondContact O-N 2.92Å; C456-E460 VanDerWaalsContact O-N 3.14Å
457V87.3Confident85Confident17 Ų1746.6 Ų46.610%0.10325%0.252CS..Hα-helixtrans-62.6-31.8175.2174.20000111.7N132 N342 A453 M454 L459 E460 P461N132-V457 PolarHBondContact ND2-O 3.44Å; N342-V457 HydrophobicContact CB-CG1 3.99Å; N342-V457 HydrophobicContact CB-CG2 4.29Å; N342-V457 VanDerWaalsContact ND2-CG2 3.29Å; N342-V457 WeakPolarHBondContact ND2-CG2 3.46Å; A453-V457 WeakPolarHBondContact O-CG2 3.33Å; A453-V457 PolarHBondContact O-N 3.12Å; M454-V457 PolarHBondContact O-N 3.2Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.85Å; V457-E460 WeakPolarHBondContact O-CB 3.49Å; V457-E460 PolarHBondContact O-N 3.27Å; V457-P461 WeakPolarHBondContact O-CD 3.43Å
458M87Confident84.4Confident40 Ų4046 Ų4620%0.19725%0.251CS..Hα-helixtrans-61.4-38.3174.1-178.2-171.57500112.4I129 N132 S133 M454 I455 C456I129-M458 WeakPolarHBondContact CG1-O 3.46Å; I129-M458 HydrophobicContact CG2-CG 4.17Å; N132-M458 HydrophobicContact CB-CB 4.1Å; N132-M458 HydrophobicContact CB-CG 4.12Å; S133-M458 VanDerWaalsContact CA-SD 3.57Å; S133-M458 WeakPolarHBondContact CB-SD 3.48Å; M454-M458 WeakPolarHBondContact O-CB 3.32Å; M454-M458 PolarHBondContact O-N 2.86Å; I455-M458 HydrophobicContact CG2-CE 4.47Å; I455-M458 WeakPolarHBondContact O-CB 3.37Å; I455-M458 PolarHBondContact O-N 2.69Å; C456-M458 PolarHBondContact O-N 2.94Å
459L85.7Confident83.5Confident91 Ų9153.7 Ų53.748%0.47629%0.285SS..Hα-helixtrans-85.9-14.2-179.2-63.3176000113.3I455 C456 V457 Y462 V463I455-L459 PolarHBondContact O-N 3.41Å; C456-L459 PolarHBondContact O-N 3.18Å; C456-L459 VanDerWaalsContact O-N 3.12Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.85Å; L459-Y462 WeakPolarHBondContact O-CB 3.44Å; L459-Y462 PolarHBondContact O-N 3.03Å; L459-Y462 VanDerWaalsContact O-N 3.13Å; L459-V463 PolarHBondContact O-N 3.45Å
460E87.4Confident82.9Confident7 Ų755.8 Ų55.83%0.03330%0.3CS..Hα-helixtrans-59.9-44-172.1179.3158.5-148.100115T339 N342 G343 Y346 C456 V457 Y462 V463 L464T339-E460 WeakPolarHBondContact CG2-OE1 3.46Å; N342-E460 VanDerWaalsContact CB-OE2 3.25Å; N342-E460 WeakPolarHBondContact CB-OE2 3.3Å; G343-E460 WeakPolarHBondContact CA-OE1 3.2Å; G343-E460 PolarHBondContact N-OE1 3.04Å; Y346-E460 HydrophobicContact CD2-CG 4.44Å; C456-E460 PolarHBondContact O-N 2.92Å; C456-E460 VanDerWaalsContact O-N 3.14Å; V457-E460 WeakPolarHBondContact O-CB 3.49Å; V457-E460 PolarHBondContact O-N 3.27Å; E460-Y462 PolarHBondContact O-N 3.25Å; E460-Y462 VanDerWaalsContact O-N 3.13Å; E460-V463 WeakPolarHBondContact O-CA 3.44Å; E460-V463 WeakPolarHBondContact O-CB 3.48Å; E460-V463 PolarHBondContact O-N 3.16Å; E460-L464 HydrophobicContact CG-CD1 3.36Å; E460-L464 WeakPolarHBondContact O-CD1 3.3Å; E460-L464 PolarHBondContact O-N 3.18Å
461P86.9Confident82.2Confident9 Ų961.8 Ų61.86%0.05832%0.318CS..Hα-helixtrans-55.9-32.5175.6-26.334.9000113.5P125 M128 I129 Y346 V457 Y465P125-P461 HydrophobicContact CB-CB 4.27Å; M128-P461 HydrophobicContact CB-CB 4Å; M128-P461 HydrophobicContact CB-CG 3.81Å; M128-P461 HydrophobicContact SD-CB 4.3Å; M128-P461 HydrophobicContact SD-CG 4.49Å; I129-P461 HydrophobicContact CG1-CB 4.31Å; Y346-P461 HydrophobicContact CD2-CG 4.34Å; Y346-P461 HydrophobicContact CE2-CG 4.17Å; V457-P461 WeakPolarHBondContact O-CD 3.43Å; P461-Y465 VanDerWaalsContact O-CB 3.29Å; P461-Y465 WeakPolarHBondContact O-CB 3.4Å; P461-Y465 PolarHBondContact O-N 2.85Å
462Y84.5Confident81.8Confident144 Ų14461.4 Ų61.457%0.56532%0.318SS*.Hα-helixtrans-70.5-40.1174.8-166.7-102.8000112.1I129 L459 E460 Y465 A466I129-Y462 HydrophobicContact CD1-CD2 4.31Å; I129-Y462 HydrophobicContact CD1-CG 4.44Å; L459-Y462 WeakPolarHBondContact O-CB 3.44Å; L459-Y462 PolarHBondContact O-N 3.03Å; L459-Y462 VanDerWaalsContact O-N 3.13Å; E460-Y462 PolarHBondContact O-N 3.25Å; E460-Y462 VanDerWaalsContact O-N 3.13Å; Y462-Y465 PolarHBondContact O-N 3.11Å; Y462-A466 WeakPolarHBondContact O-CB 3.37Å; Y462-A466 PolarHBondContact O-N 3.33Å
463V82.1Confident81.5Confident77 Ų7761.7 Ų61.747%0.46732%0.321SS..Hα-helixtrans-64.5-42.4177179.60000110.6L459 E460 A466 T467L459-V463 PolarHBondContact O-N 3.45Å; E460-V463 WeakPolarHBondContact O-CA 3.44Å; E460-V463 WeakPolarHBondContact O-CB 3.48Å; E460-V463 PolarHBondContact O-N 3.16Å; V463-A466 PolarHBondContact O-N 2.85Å; V463-T467 WeakPolarHBondContact O-CB 2.96Å; V463-T467 WeakPolarHBondContact O-CG2 3.43Å; V463-T467 PolarHBondContact O-N 3.43Å; V463-T467 VanDerWaalsContact O-N 3.09Å; V463-T467 PolarHBondContact O-OG1 3.35Å
464L81.4Confident81.3Confident16 Ų1662 Ų628%0.08432%0.322CS..Hα-helixtrans-63.9-42.1173.5-83.487.7000111.5N347 E460 T467 S468 M478N347-L464 HydrophobicContact CB-CD2 3.91Å; E460-L464 HydrophobicContact CG-CD1 3.36Å; E460-L464 WeakPolarHBondContact O-CD1 3.3Å; E460-L464 PolarHBondContact O-N 3.18Å; L464-T467 CarbonylContact O-C 3.34Å; L464-T467 PolarHBondContact O-N 3Å; L464-T467 PolarHBondContact O-OG1 3.25Å; L464-S468 PolarHBondContact O-N 2.76Å; L464-M478 HydrophobicContact CD1-CE 4.06Å; L464-M478 HydrophobicContact CG-CE 4.46Å
465Y82.3Confident81.2Confident74 Ų7459.7 Ų59.729%0.2931%0.311SS..Hα-helixtrans-62.4-47.1176.5174.2-100.2000112.2D121 P125 P461 Y462 T467 S468D121-Y465 HydrophobicContact CB-CE2 4.46Å; D121-Y465 PolarHBondContact OD1-OH 3.27Å; D121-Y465 VanDerWaalsContact OD2-CE2 3.26Å; D121-Y465 WeakPolarHBondContact OD2-CE2 3.13Å; D121-Y465 PolarHBondContact OD2-OH 3.02Å; P125-Y465 HydrophobicContact CB-CG 4.49Å; P125-Y465 HydrophobicContact CG-CD1 4.45Å; P125-Y465 HydrophobicContact CG-CD2 3.92Å; P125-Y465 HydrophobicContact CG-CG 3.86Å; P461-Y465 VanDerWaalsContact O-CB 3.29Å; P461-Y465 WeakPolarHBondContact O-CB 3.4Å; P461-Y465 PolarHBondContact O-N 2.85Å; Y462-Y465 PolarHBondContact O-N 3.11Å; Y465-T467 PolarHBondContact O-N 3.38Å; Y465-S468 WeakPolarHBondContact O-CB 3.42Å; Y465-S468 PolarHBondContact O-N 2.99Å; Y465-S468 PolarHBondContact O-OG 2.85Å
466A80.4Confident81.3Confident65 Ų6559.2 Ų59.254%0.53731%0.308SS..Hα-helixtrans-64.2-26.3178.700000112.9Y462 V463Y462-A466 WeakPolarHBondContact O-CB 3.37Å; Y462-A466 PolarHBondContact O-N 3.33Å; V463-A466 PolarHBondContact O-N 2.85Å
467T76.5Confident81.5Confident20 Ų2060.7 Ų60.712%0.12331%0.313CS..THydrogen-bonded Turntrans-95.72.1176.656.30000113.4V463 L464 Y465 H469 S470 L473V463-T467 WeakPolarHBondContact O-CB 2.96Å; V463-T467 WeakPolarHBondContact O-CG2 3.43Å; V463-T467 PolarHBondContact O-N 3.43Å; V463-T467 VanDerWaalsContact O-N 3.09Å; V463-T467 PolarHBondContact O-OG1 3.35Å; L464-T467 CarbonylContact O-C 3.34Å; L464-T467 PolarHBondContact O-N 3Å; L464-T467 PolarHBondContact O-OG1 3.25Å; Y465-T467 PolarHBondContact O-N 3.38Å; T467-H469 PolarHBondContact O-N 3.03Å; T467-H469 VanDerWaalsContact O-N 3.08Å; T467-S470 CarbonylContact O-C 3.49Å; T467-S470 PolarHBondContact O-N 3.17Å; T467-L473 HydrophobicContact CG2-CD2 3.82Å; T467-L473 HydrophobicContact CG2-CG 4.33Å
468S68.4Low81.6Confident66 Ų6660.3 Ų60.346%0.46231%0.31SS..THydrogen-bonded Turntrans-58.2-26.1-177.3630000114L464 Y465 S470L464-S468 PolarHBondContact O-N 2.76Å; Y465-S468 WeakPolarHBondContact O-CB 3.42Å; Y465-S468 PolarHBondContact O-N 2.99Å; Y465-S468 PolarHBondContact O-OG 2.85Å; S468-S470 PolarHBondContact O-N 3.11Å
469H68.5Low81.8Confident185 Ų18558.4 Ų58.486%0.85630%0.301SS*.THydrogen-bonded Turntrans-59.8-30174.1-165.871.8000112.5T467T467-H469 PolarHBondContact O-N 3.03Å; T467-H469 VanDerWaalsContact O-N 3.08Å
470S73.4Confident82.3Confident45 Ų4557.9 Ų57.932%0.31530%0.298SS..SBendtrans-120.6100.9173.3-178.80000110.8T467 S468 T472 L473 P474T467-S470 CarbonylContact O-C 3.49Å; T467-S470 PolarHBondContact O-N 3.17Å; S468-S470 PolarHBondContact O-N 3.11Å; S470-T472 PolarHBondContact O-N 2.88Å; S470-T472 PolarHBondContact OG-OG1 3.02Å; S470-L473 PolarHBondContact O-N 3.05Å; S470-L473 VanDerWaalsContact O-N 3.12Å; S470-P474 WeakPolarHBondContact O-CD 3.03Å
471R69.4Low82.6Confident151 Ų15160.1 Ų60.157%0.5731%0.31SS*.THydrogen-bonded Turntrans-55.7-26.6-179.2-62.7-178-174.5173.73114
472T78.1Confident83Confident51 Ų5159.7 Ų59.731%0.31331%0.307SS..THydrogen-bonded Turntrans-91.8-24.1-177.550.80000113.4P401 S470 L475 I476P401-T472 HydrophobicContact CB-CG2 3.74Å; P401-T472 HydrophobicContact CG-CG2 4.11Å; S470-T472 PolarHBondContact O-N 2.88Å; S470-T472 PolarHBondContact OG-OG1 3.02Å; T472-L475 PolarHBondContact O-N 2.02Å; T472-I476 WeakPolarHBondContact O-CG1 3.48Å; T472-I476 PolarHBondContact O-N 3.24Å; T472-I476 VanDerWaalsContact O-N 3.11Å
473L83.5Confident83.5Confident70 Ų7054.6 Ų54.637%0.36629%0.292SS..Hα-helixtrans-58.6-47.7-175.3-176.965.6000114.1T467 S470 L475 I476 I477T467-L473 HydrophobicContact CG2-CD2 3.82Å; T467-L473 HydrophobicContact CG2-CG 4.33Å; S470-L473 PolarHBondContact O-N 3.05Å; S470-L473 VanDerWaalsContact O-N 3.12Å; L473-L475 VanDerWaalsContact C-N 3.27Å; L473-L475 PolarHBondContact O-N 3.03Å; L473-I476 PolarHBondContact O-N 3.1Å; L473-I476 VanDerWaalsContact O-N 3.13Å; L473-I477 HydrophobicContact CD1-CD1 4.25Å; L473-I477 HydrophobicContact CD1-CG1 4.45Å; L473-I477 HydrophobicContact CG-CD1 4Å; L473-I477 WeakPolarHBondContact O-CG1 3.33Å; L473-I477 PolarHBondContact O-N 3.23Å
474P85.2Confident84.2Confident7 Ų754.4 Ų54.45%0.04529%0.288CS..Hα-helixtrans-62.9-34.6179.813.3-19.3000112.5S470 I477 M478S470-P474 WeakPolarHBondContact O-CD 3.03Å; P474-I477 PolarHBondContact O-N 3.43Å; P474-M478 HydrophobicContact CB-CE 4.22Å; P474-M478 WeakPolarHBondContact O-CB 3.2Å; P474-M478 WeakPolarHBondContact O-CG 3.25Å; P474-M478 PolarHBondContact O-N 3.21Å
475L85.1Confident84.9Confident10 Ų1053.6 Ų53.65%0.05228%0.284CS..Hα-helixtrans-66.1-39.8175.2-63.3173.7000112L344 N347 T397 V400 P401 T472 L473 M478 G479L344-L475 HydrophobicContact CD2-CD2 3.96Å; N347-L475 VanDerWaalsContact ND2-CD2 3.34Å; N347-L475 WeakPolarHBondContact ND2-CD2 3.3Å; N347-L475 WeakPolarHBondContact ND2-CG 3.04Å; T397-L475 HydrophobicContact CG2-CB 4.11Å; T397-L475 HydrophobicContact CG2-CD2 3.96Å; T397-L475 WeakPolarHBondContact CG2-O 3.33Å; V400-L475 HydrophobicContact CB-CD1 4.09Å; V400-L475 HydrophobicContact CG1-CD1 3.51Å; P401-L475 HydrophobicContact CG-CB 4.26Å; T472-L475 PolarHBondContact O-N 2.02Å; L473-L475 VanDerWaalsContact C-N 3.27Å; L473-L475 PolarHBondContact O-N 3.03Å; L475-M478 PolarHBondContact O-N 3.23Å; L475-G479 PolarHBondContact O-N 3.49Å
476I88.1Confident85.6Confident61 Ų6150.4 Ų50.431%0.31327%0.272SS..Hα-helixtrans-61.9-47.2175.8-64169.1000110.2L398 P401 T472 L473 G479 I480L398-I476 HydrophobicContact CD2-CG2 4.37Å; P401-I476 HydrophobicContact CB-CD1 4.44Å; P401-I476 HydrophobicContact CB-CG1 4.35Å; P401-I476 HydrophobicContact CG-CD1 4.29Å; P401-I476 HydrophobicContact CG-CG1 3.72Å; T472-I476 WeakPolarHBondContact O-CG1 3.48Å; T472-I476 PolarHBondContact O-N 3.24Å; T472-I476 VanDerWaalsContact O-N 3.11Å; L473-I476 PolarHBondContact O-N 3.1Å; L473-I476 VanDerWaalsContact O-N 3.13Å; I476-G479 PolarHBondContact O-N 3.31Å; I476-I480 HydrophobicContact CG2-CD1 3.79Å; I476-I480 HydrophobicContact CG2-CG1 4.39Å; I476-I480 WeakPolarHBondContact O-CG1 3.41Å; I476-I480 PolarHBondContact O-N 3.33Å
477I89.4Confident86.3Confident68 Ų6852.9 Ų52.935%0.34928%0.276SS..Hα-helixtrans-60.9-49179.5-65.4167.8000110.6L473 P474 G479 I480 L481L473-I477 HydrophobicContact CD1-CD1 4.25Å; L473-I477 HydrophobicContact CD1-CG1 4.45Å; L473-I477 HydrophobicContact CG-CD1 4Å; L473-I477 WeakPolarHBondContact O-CG1 3.33Å; L473-I477 PolarHBondContact O-N 3.23Å; P474-I477 PolarHBondContact O-N 3.43Å; I477-G479 VanDerWaalsContact C-N 3.32Å; I477-G479 PolarHBondContact O-N 3.29Å; I477-I480 PolarHBondContact O-N 2.77Å; I477-L481 HydrophobicContact CG2-CD1 3.84Å; I477-L481 HydrophobicContact CG2-CG 4.39Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 2.97Å
478M90.4Very high87.2Confident9 Ų954.6 Ų54.64%0.04428%0.284CS..Hα-helixtrans-59.1-43.5177.7-72.6171-164.800111.8V340 T397 L464 P474 L475 L481 S482V340-M478 HydrophobicContact CG1-CB 4.39Å; V340-M478 HydrophobicContact CG2-CB 4.04Å; V340-M478 HydrophobicContact CG2-CG 4.46Å; V340-M478 WeakPolarHBondContact CG2-O 3.46Å; T397-M478 HydrophobicContact CG2-CB 4.32Å; L464-M478 HydrophobicContact CD1-CE 4.06Å; L464-M478 HydrophobicContact CG-CE 4.46Å; P474-M478 HydrophobicContact CB-CE 4.22Å; P474-M478 WeakPolarHBondContact O-CB 3.2Å; P474-M478 WeakPolarHBondContact O-CG 3.25Å; P474-M478 PolarHBondContact O-N 3.21Å; L475-M478 PolarHBondContact O-N 3.23Å; M478-L481 PolarHBondContact O-N 3.2Å; M478-S482 WeakPolarHBondContact O-CB 3.24Å; M478-S482 PolarHBondContact O-N 2.75Å
479G92.1Very high88.4Confident0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-65.9-41.5179.200000113.8L475 I476 I477 S483L475-G479 PolarHBondContact O-N 3.49Å; I476-G479 PolarHBondContact O-N 3.31Å; I477-G479 VanDerWaalsContact C-N 3.32Å; I477-G479 PolarHBondContact O-N 3.29Å; G479-S483 WeakPolarHBondContact O-CB 3.46Å; G479-S483 PolarHBondContact O-N 3Å; G479-S483 VanDerWaalsContact O-N 3.08Å; G479-S483 PolarHBondContact O-OG 3.22Å
480I94.5Very high89.6Confident81 Ų8145.1 Ų45.142%0.41524%0.235SC..Hα-helixtrans-64.3-49174.2-68.6171.1000110.1L398 I476 I477 S482 S483 I484L398-I480 HydrophobicContact CD2-CG1 4.04Å; I476-I480 HydrophobicContact CG2-CD1 3.79Å; I476-I480 HydrophobicContact CG2-CG1 4.39Å; I476-I480 WeakPolarHBondContact O-CG1 3.41Å; I476-I480 PolarHBondContact O-N 3.33Å; I477-I480 PolarHBondContact O-N 2.77Å; I480-S482 PolarHBondContact O-N 3.45Å; I480-S483 PolarHBondContact O-N 3.14Å; I480-I484 HydrophobicContact CG2-CD1 3.73Å; I480-I484 HydrophobicContact CG2-CG1 4.37Å; I480-I484 WeakPolarHBondContact O-CG1 3.45Å; I480-I484 PolarHBondContact O-N 3.33Å
481L94.2Very high90.6Very high54 Ų5447.4 Ų47.428%0.28324%0.242SC..Hα-helixtrans-59.3-46179.7-73.8173.7000111.4V336 I477 M478 S483 I484 A485V336-L481 HydrophobicContact CG1-CB 3.97Å; V336-L481 WeakPolarHBondContact CG1-O 3.1Å; V336-L481 HydrophobicContact CG2-CB 4.31Å; I477-L481 HydrophobicContact CG2-CD1 3.84Å; I477-L481 HydrophobicContact CG2-CG 4.39Å; I477-L481 WeakPolarHBondContact O-CB 3.33Å; I477-L481 VanDerWaalsContact O-CG 3.31Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 2.97Å; M478-L481 PolarHBondContact O-N 3.2Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 2.96Å; L481-I484 PolarHBondContact O-N 2.9Å; L481-A485 WeakPolarHBondContact O-CB 3.4Å; L481-A485 PolarHBondContact O-N 2.79Å
482S95.6Very high91.7Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-60.1-40.5177.3-166.30000112.2M390 M478 I480 A485 A486M390-S482 PolarHBondContact O-OG 3.03Å; M478-S482 WeakPolarHBondContact O-CB 3.24Å; M478-S482 PolarHBondContact O-N 2.75Å; I480-S482 PolarHBondContact O-N 3.45Å; S482-A485 PolarHBondContact O-N 2.79Å; S482-A486 WeakPolarHBondContact O-CB 3.38Å; S482-A486 PolarHBondContact O-N 3.34Å
483S95.6Very high92.3Very high36 Ų3639.6 Ų39.625%0.25221%0.212SC..Hα-helixtrans-66.6-42.3177.6-56.90000111.9G479 I480 L481 A486 L487G479-S483 WeakPolarHBondContact O-CB 3.46Å; G479-S483 PolarHBondContact O-N 3Å; G479-S483 VanDerWaalsContact O-N 3.08Å; G479-S483 PolarHBondContact O-OG 3.22Å; I480-S483 PolarHBondContact O-N 3.14Å; L481-S483 VanDerWaalsContact C-N 3.3Å; L481-S483 PolarHBondContact O-N 2.96Å; S483-A486 PolarHBondContact O-N 2.72Å; S483-L487 WeakPolarHBondContact O-CG 3.34Å; S483-L487 PolarHBondContact O-N 3.09Å
484I96.5Very high92.6Very high73 Ų7339.1 Ų39.137%0.37421%0.208SC..Hα-helixtrans-62.7-43.9174.7-68.1169.9000110.6F332 I480 L481 A486 L487 L488F332-I484 HydrophobicContact CE1-CG2 4.29Å; F332-I484 HydrophobicContact CZ-CG2 4.34Å; I480-I484 HydrophobicContact CG2-CD1 3.73Å; I480-I484 HydrophobicContact CG2-CG1 4.37Å; I480-I484 WeakPolarHBondContact O-CG1 3.45Å; I480-I484 PolarHBondContact O-N 3.33Å; L481-I484 PolarHBondContact O-N 2.9Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 PolarHBondContact O-N 3.24Å; I484-L487 PolarHBondContact O-N 3.34Å; I484-L488 HydrophobicContact CG2-CD1 4.03Å; I484-L488 HydrophobicContact CG2-CG 4.4Å; I484-L488 WeakPolarHBondContact O-CG 2.98Å; I484-L488 PolarHBondContact O-N 3.25Å
485A96.2Very high92.6Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-63.5-38.3177.400000112.2F332 V333 V336 M390 L481 S482 L487 L488 A489F332-A485 HydrophobicContact CD1-CB 4.5Å; F332-A485 HydrophobicContact CE1-CB 4.07Å; V333-A485 HydrophobicContact CG2-CB 4.46Å; V336-A485 HydrophobicContact CB-CB 3.93Å; V336-A485 HydrophobicContact CG1-CB 3.74Å; V336-A485 HydrophobicContact CG2-CB 4.14Å; M390-A485 HydrophobicContact CE-CB 3.41Å; M390-A485 VanDerWaalsContact CE-CB 3.41Å; M390-A485 HydrophobicContact SD-CB 4.21Å; L481-A485 WeakPolarHBondContact O-CB 3.4Å; L481-A485 PolarHBondContact O-N 2.79Å; S482-A485 PolarHBondContact O-N 2.79Å; A485-L487 PolarHBondContact O-N 3.46Å; A485-L488 PolarHBondContact O-N 2.83Å; A485-A489 WeakPolarHBondContact O-CB 3.49Å; A485-A489 PolarHBondContact O-N 3.03Å
486A96.4Very high92.3Very high6 Ų643.8 Ų43.85%0.0523%0.229CC..Hα-helixtrans-61.7-41.9173.300000112M390 S482 S483 I484 A489M390-A486 HydrophobicContact CB-CB 3.92Å; S482-A486 WeakPolarHBondContact O-CB 3.38Å; S482-A486 PolarHBondContact O-N 3.34Å; S483-A486 PolarHBondContact O-N 2.72Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 PolarHBondContact O-N 3.24Å; A486-A489 PolarHBondContact O-N 2.94Å
487L95.7Very high91.6Very high118 Ų11844.9 Ų44.962%0.61826%0.255SS*.Hα-helixtrans-66-42.4175.5-68.6173000111.9S483 I484 A485 A489 L490S483-L487 WeakPolarHBondContact O-CG 3.34Å; S483-L487 PolarHBondContact O-N 3.09Å; I484-L487 PolarHBondContact O-N 3.34Å; A485-L487 PolarHBondContact O-N 3.46Å; L487-A489 VanDerWaalsContact C-N 3.31Å; L487-A489 PolarHBondContact O-N 2.01Å; L487-L490 HydrophobicContact CD2-CD1 4.36Å; L487-L490 VanDerWaalsContact O-CB 3.28Å; L487-L490 WeakPolarHBondContact O-CB 3.18Å; L487-L490 PolarHBondContact O-N 2.93Å
488L95.5Very high90.9Very high55 Ų5545.6 Ų45.629%0.28827%0.265SS..Hα-helixtrans-68.2-30.5177-72177.5000112.6L329 F332 I484 A485 L490 L491L329-L488 HydrophobicContact CD2-CB 4.09Å; L329-L488 HydrophobicContact CD2-CD2 4.4Å; F332-L488 HydrophobicContact CD1-CD1 3.67Å; F332-L488 HydrophobicContact CE1-CD1 3.55Å; F332-L488 HydrophobicContact CZ-CD1 4.35Å; I484-L488 HydrophobicContact CG2-CD1 4.03Å; I484-L488 HydrophobicContact CG2-CG 4.4Å; I484-L488 WeakPolarHBondContact O-CG 2.98Å; I484-L488 PolarHBondContact O-N 3.25Å; A485-L488 PolarHBondContact O-N 2.83Å; L488-L490 PolarHBondContact O-N 2.65Å; L488-L491 HydrophobicContact CD2-CD1 3.92Å; L488-L491 VanDerWaalsContact O-CB 3.3Å; L488-L491 WeakPolarHBondContact O-CB 3.45Å; L488-L491 PolarHBondContact O-N 3.31Å
489A93.9Very high90.2Very high0 Ų052.9 Ų52.90%030%0.299CS..Hα-helixtrans-63-21.3173.900000112.6V333 L386 V387 A485 A486 L487 L491 L492V333-A489 HydrophobicContact CG2-CB 4.49Å; L386-A489 HydrophobicContact CD2-CB 4.03Å; L386-A489 HydrophobicContact CG-CB 4.4Å; V387-A489 HydrophobicContact CG2-CB 3.87Å; A485-A489 WeakPolarHBondContact O-CB 3.49Å; A485-A489 PolarHBondContact O-N 3.03Å; A486-A489 PolarHBondContact O-N 2.94Å; L487-A489 VanDerWaalsContact C-N 3.31Å; L487-A489 PolarHBondContact O-N 2.01Å; A489-L491 PolarHBondContact O-N 3.47Å; A489-L492 HydrophobicContact CB-CD1 4.43Å; A489-L492 WeakPolarHBondContact O-CB 3.1Å; A489-L492 PolarHBondContact O-N 3.26Å; A489-L492 VanDerWaalsContact O-N 3.15Å
490L93.8Very high89.5Confident53 Ų5357.4 Ų57.428%0.27732%0.323SS..THydrogen-bonded Turntrans-66.5-16.9170.3-64.6167.8000113.2R383 W384 V387 L487 L488 L492R383-L490 PolarHBondContact NH1-O 3.46Å; R383-L490 PolarHBondContact NH2-O 2.79Å; W384-L490 HydrophobicContact CE3-CD2 4.48Å; W384-L490 HydrophobicContact CH2-CD2 3.97Å; W384-L490 HydrophobicContact CZ3-CD2 3.87Å; V387-L490 HydrophobicContact CG1-CD2 4.09Å; V387-L490 HydrophobicContact CG1-CG 4.36Å; V387-L490 HydrophobicContact CG2-CD2 3.84Å; V387-L490 HydrophobicContact CG2-CG 4.08Å; L487-L490 HydrophobicContact CD2-CD1 4.36Å; L487-L490 VanDerWaalsContact O-CB 3.28Å; L487-L490 WeakPolarHBondContact O-CB 3.18Å; L487-L490 PolarHBondContact O-N 2.93Å; L488-L490 PolarHBondContact O-N 2.65Å; L490-L492 VanDerWaalsContact C-N 3.28Å
491L93.4Very high88.8Confident92 Ų9254.1 Ų54.148%0.48231%0.307SS..THydrogen-bonded Turntrans-83-8.5175.9-59.4174.7000112.7K325 L329 L488 A489K325-L491 PolarHBondContact NZ-O 3.3Å; L329-L491 HydrophobicContact CD1-CB 3.77Å; L329-L491 HydrophobicContact CD2-CD1 4.43Å; L488-L491 HydrophobicContact CD2-CD1 3.92Å; L488-L491 VanDerWaalsContact O-CB 3.3Å; L488-L491 WeakPolarHBondContact O-CB 3.45Å; L488-L491 PolarHBondContact O-N 3.31Å; A489-L491 PolarHBondContact O-N 3.47Å
492L92.1Very high88Confident1 Ų157.9 Ų57.91%0.00532%0.323CS..SBendtrans-81.1147.5175.9-65.8168.2000111.2I326 L329 I330 R383 Y432 L436 A489 L490I326-L492 HydrophobicContact CG1-CD2 4.33Å; L329-L492 HydrophobicContact CB-CD2 3.77Å; L329-L492 HydrophobicContact CB-CG 4.28Å; L329-L492 HydrophobicContact CD1-CD2 3.96Å; L329-L492 HydrophobicContact CD1-CG 4.29Å; I330-L492 HydrophobicContact CG1-CD1 4.5Å; I330-L492 HydrophobicContact CG1-CD2 4.25Å; R383-L492 WeakPolarHBondContact CD-O 3.46Å; R383-L492 PolarHBondContact NH1-O 2.94Å; Y432-L492 HydrophobicContact CE1-CB 4.11Å; Y432-L492 HydrophobicContact CE1-CD1 3.79Å; Y432-L492 VanDerWaalsContact OH-CB 3.31Å; Y432-L492 WeakPolarHBondContact OH-CB 3.4Å; L436-L492 HydrophobicContact CD1-CD2 4.34Å; A489-L492 HydrophobicContact CB-CD1 4.43Å; A489-L492 WeakPolarHBondContact O-CB 3.1Å; A489-L492 PolarHBondContact O-N 3.26Å; A489-L492 VanDerWaalsContact O-N 3.15Å; L490-L492 VanDerWaalsContact C-N 3.28Å
493P90.2Very high87.4Confident37 Ų3761 Ų6124%0.2434%0.342CS..PPolyproline II helixtrans-80.6142.5178.930.7-30.5000111.4I326 Y432 L436 Q511I326-P493 HydrophobicContact CD1-CG 4.1Å; Y432-P493 WeakPolarHBondContact CE2-O 3.14Å; Y432-P493 PolarHBondContact OH-O 3.29Å; L436-P493 HydrophobicContact CD2-CG 3.69Å; P493-Q511 VanDerWaalsContact CG-NE2 3.29Å
494E90.2Very high86.6Confident61 Ų6160.8 Ų60.829%0.28534%0.337SS..PPolyproline II helixtrans-70.1139.5174.7-178.156.2-108.700110.8R382 R383 K496R382-E494 PolarHBondContact N-OE1 2.8Å; R382-E494 PolarHBondContact N-OE2 3Å; R383-E494 WeakPolarHBondContact CB-OE2 3.34Å; R383-E494 PolarHBondContact N-OE2 2.88Å; R383-E494 VanDerWaalsContact N-OE2 3.1Å; E494-K496 HydrophobicContact CG-CB 4.06Å; E494-K496 WeakPolarHBondContact OE1-CB 3.11Å; E494-K496 PolarHBondContact OE1-N 3.42Å
495T85.4Confident85.8Confident18 Ų1863.9 Ų63.911%0.1135%0.35CS..  trans-107.7-13.4-178.549.80000112.8Y432 E435 L436 G497 C498Y432-T495 HydrophobicContact CD2-CG2 4.06Å; Y432-T495 HydrophobicContact CE2-CG2 3.73Å; E435-T495 HydrophobicContact CB-CG2 3.92Å; E435-T495 WeakPolarHBondContact OE2-CB 3.48Å; E435-T495 PolarHBondContact OE2-OG1 3.33Å; L436-T495 HydrophobicContact CD2-CG2 3.71Å; L436-T495 HydrophobicContact CG-CG2 4.03Å; T495-G497 PolarHBondContact O-N 2.85Å; T495-C498 WeakPolarHBondContact O-CB 3.49Å; T495-C498 PolarHBondContact O-N 2.83Å
496K78.7Confident84.9Confident96 Ų9667.4 Ų67.442%0.41737%0.367SS..THydrogen-bonded Turntrans-55.5122178.6-178.6174.7167.4175.80111.5N378 K379 E494 C498N378-K496 VanDerWaalsContact O-CE 3.31Å; N378-K496 WeakPolarHBondContact O-CE 3.35Å; N378-K496 PolarHBondContact O-NZ 3.04Å; K379-K496 PolarHBondContact O-NZ 3.24Å; E494-K496 HydrophobicContact CG-CB 4.06Å; E494-K496 WeakPolarHBondContact OE1-CB 3.11Å; E494-K496 PolarHBondContact OE1-N 3.42Å; K496-C498 VanDerWaalsContact C-N 3.26Å; K496-C498 PolarHBondContact O-N 3.12Å
497G73.5Confident84.1Confident84 Ų8467.2 Ų67.287%0.86637%0.365SS*.THydrogen-bonded Turntrans781.3178.600000115T495T495-G497 PolarHBondContact O-N 2.85Å
498C75.8Confident83.4Confident83 Ų8363 Ų6356%0.56134%0.342SS*.PPolyproline II helixtrans-89.7144.7175.9-64.90000111.1T495 K496T495-C498 WeakPolarHBondContact O-CB 3.49Å; T495-C498 PolarHBondContact O-N 2.83Å; K496-C498 VanDerWaalsContact C-N 3.26Å; K496-C498 PolarHBondContact O-N 3.12Å
499H74.7Confident82.5Confident163 Ų16367.7 Ų67.776%0.75536%0.36SS*.PPolyproline II helixtrans-67.1140.2169.8-69.7-73.9000110.8
500L78.7Confident81.5Confident95 Ų9572.6 Ų72.650%0.49739%0.386SS..PPolyproline II helixtrans-64.9126.4177.1-7590.4000109.9Q502L500-Q502 PolarHBondContact O-N 2.98Å
501P77.8Confident80.4Confident12 Ų1273 Ų738%0.07839%0.386CS..PPolyproline II helixtrans-67.2131.5178.727-32.1000109.8P438 T439 M507 L510P438-P501 WeakPolarHBondContact CA-O 3.5Å; P438-P501 HydrophobicContact CB-CB 4.13Å; P438-P501 HydrophobicContact CB-CG 4.19Å; T439-P501 PolarHBondContact N-O 2.96Å; T439-P501 PolarHBondContact OG1-O 3.38Å; P501-M507 HydrophobicContact CB-CB 3.81Å; P501-M507 HydrophobicContact CB-CG 4.32Å; P501-M507 HydrophobicContact CG-CB 4.28Å; P501-M507 HydrophobicContact CG-CG 4.26Å; P501-L510 HydrophobicContact CB-CD1 4.41Å
502Q78.1Confident79.1Confident133 Ų13374.2 Ų74.262%0.62139%0.388SS*.  trans-87.3-40177.8-64.9-165.9-10.300111.8T439 L500T439-Q502 PolarHBondContact N-O 3.33Å; T439-Q502 WeakPolarHBondContact OG1-CA 3.3Å; L500-Q502 PolarHBondContact O-N 2.98Å
503T82.7Confident77.3Confident65 Ų6579.5 Ų79.540%0.39942%0.422SS..SBendtrans-120.8159.9-177.665.90000112.1E505 Q506 M507T503-E505 VanDerWaalsContact C-N 3.27Å; T503-E505 PolarHBondContact O-N 3.31Å; T503-Q506 PolarHBondContact O-N 2.84Å; T503-Q506 WeakPolarHBondContact OG1-CB 3.47Å; T503-Q506 PolarHBondContact OG1-N 3.44Å; T503-M507 PolarHBondContact O-N 3.19Å; T503-M507 VanDerWaalsContact O-N 3.09Å
504I79.5Confident75.1Confident31 Ų3188.3 Ų88.316%0.15945%0.45CS..Hα-helixtrans-59.7-39.2177.8-58.7174.2000111T320 L323 P438 V441 M507 E508T320-I504 HydrophobicContact CG2-CG2 3.78Å; L323-I504 HydrophobicContact CD2-CD1 4.37Å; L323-I504 HydrophobicContact CD2-CG1 4.4Å; L323-I504 HydrophobicContact CD2-CG2 4.18Å; P438-I504 HydrophobicContact CG-CG1 4.18Å; V441-I504 HydrophobicContact CG1-CD1 4.09Å; V441-I504 HydrophobicContact CG2-CG1 4.35Å; I504-M507 WeakPolarHBondContact O-CB 3.22Å; I504-M507 PolarHBondContact O-N 3.09Å; I504-E508 PolarHBondContact O-N 2.82Å; I504-E508 VanDerWaalsContact O-N 3.16Å
505E79.3Confident72.5Confident138 Ų13895.1 Ų95.165%0.64548%0.479SS*.Hα-helixtrans-68-39.8178.9-64.3-178.2-171.500112.8T503 M507 E508 K509T503-E505 VanDerWaalsContact C-N 3.27Å; T503-E505 PolarHBondContact O-N 3.31Å; E505-M507 VanDerWaalsContact C-N 3.32Å; E505-E508 PolarHBondContact O-N 2.89Å; E505-K509 WeakPolarHBondContact O-CG 3.48Å; E505-K509 PolarHBondContact O-N 3.26Å; E505-K509 VanDerWaalsContact O-N 3.15Å
506Q78.5Confident70Confident74 Ų7497.9 Ų97.935%0.34651%0.511SS..Hα-helixtrans-63.8-41.6176.6-172.6-176.79.700110.6T503 E508 K509 L510T503-Q506 PolarHBondContact O-N 2.84Å; T503-Q506 WeakPolarHBondContact OG1-CB 3.47Å; T503-Q506 PolarHBondContact OG1-N 3.44Å; Q506-E508 PolarHBondContact O-N 3.15Å; Q506-K509 PolarHBondContact O-N 2.77Å; Q506-L510 HydrophobicContact CG-CD1 4.19Å; Q506-L510 WeakPolarHBondContact O-CG 3.49Å; Q506-L510 PolarHBondContact O-N 3.41Å
507M79.3Confident67.7Low2 Ų2103.1 Ų103.11%0.0153%0.528CS..Hα-helixtrans-58-46.8175.9-174.2-159.1179.800111.9I322 L323 I326 L436 P438 P501 T503 I504 E505 K509 L510 Q511I322-M507 HydrophobicContact CG2-CE 4.38Å; L323-M507 HydrophobicContact CB-SD 4.41Å; L323-M507 HydrophobicContact CD1-CE 4.04Å; L323-M507 HydrophobicContact CD1-SD 3.79Å; I326-M507 HydrophobicContact CB-CE 4.46Å; I326-M507 HydrophobicContact CD1-CE 3.22Å; I326-M507 HydrophobicContact CG1-CE 4.4Å; I326-M507 HydrophobicContact CG2-CE 4.48Å; L436-M507 WeakPolarHBondContact O-CE 3.49Å; P438-M507 HydrophobicContact CG-SD 4.2Å; P501-M507 HydrophobicContact CB-CB 3.81Å; P501-M507 HydrophobicContact CB-CG 4.32Å; P501-M507 HydrophobicContact CG-CB 4.28Å; P501-M507 HydrophobicContact CG-CG 4.26Å; T503-M507 PolarHBondContact O-N 3.19Å; T503-M507 VanDerWaalsContact O-N 3.09Å; I504-M507 WeakPolarHBondContact O-CB 3.22Å; I504-M507 PolarHBondContact O-N 3.09Å; E505-M507 VanDerWaalsContact C-N 3.32Å; M507-K509 VanDerWaalsContact C-N 3.33Å; M507-K509 PolarHBondContact O-N 3.49Å; M507-L510 PolarHBondContact O-N 3.01Å; M507-Q511 PolarHBondContact O-N 3.35Å
508E80.3Confident65.9Low30 Ų30110.6 Ų110.614%0.1453%0.531CS..Hα-helixtrans-61.7-40.7177.4-78.3-144149.500112.8T320 P321 I322 I504 E505 Q506 L510 Q511 K512T320-E508 WeakPolarHBondContact CB-OE1 3.24Å; T320-E508 HydrophobicContact CG2-CG 3.9Å; T320-E508 WeakPolarHBondContact CG2-OE1 3.39Å; P321-E508 WeakPolarHBondContact CD-OE1 3.41Å; I322-E508 HydrophobicContact CD1-CB 4.3Å; I322-E508 HydrophobicContact CD1-CG 4.26Å; I504-E508 PolarHBondContact O-N 2.82Å; I504-E508 VanDerWaalsContact O-N 3.16Å; E505-E508 PolarHBondContact O-N 2.89Å; Q506-E508 PolarHBondContact O-N 3.15Å; E508-L510 VanDerWaalsContact C-N 3.35Å; E508-Q511 PolarHBondContact O-N 3.18Å; E508-K512 WeakPolarHBondContact O-CG 3.17Å; E508-K512 PolarHBondContact O-N 3.16Å; E508-K512 IonicContact OE2-NZ 3.05Å; E508-K512 PolarHBondContact OE2-NZ 3.05Å
509K77.7Confident63.9Low153 Ų153112.4 Ų112.467%0.66554%0.539SS*.Hα-helixtrans-65.7-38.2179.9-73.2173.8-176.9170.70111.8E505 Q506 M507 Q511E505-K509 WeakPolarHBondContact O-CG 3.48Å; E505-K509 PolarHBondContact O-N 3.26Å; E505-K509 VanDerWaalsContact O-N 3.15Å; Q506-K509 PolarHBondContact O-N 2.77Å; M507-K509 VanDerWaalsContact C-N 3.33Å; M507-K509 PolarHBondContact O-N 3.49Å; K509-Q511 VanDerWaalsContact C-N 3.35Å
510L72.1Confident61.9Low104 Ų104110.4 Ų110.455%0.54553%0.528SS..Hα-helixtrans-68.9-32.1178.9-72.4171000112.7P501 Q506 M507 E508P501-L510 HydrophobicContact CB-CD1 4.41Å; Q506-L510 HydrophobicContact CG-CD1 4.19Å; Q506-L510 WeakPolarHBondContact O-CG 3.49Å; Q506-L510 PolarHBondContact O-N 3.41Å; M507-L510 PolarHBondContact O-N 3.01Å; E508-L510 VanDerWaalsContact C-N 3.35Å
511Q70.3Confident59.9Low62 Ų62112.2 Ų112.229%0.2954%0.538SS..Hα-helixtrans-98.3-14.9-175-67.3-166.211.700115.2I322 I326 P493 M507 E508 K509 P513I322-Q511 HydrophobicContact CD1-CB 4.24Å; I322-Q511 HydrophobicContact CG2-CB 4.17Å; I326-Q511 VanDerWaalsContact CD1-OE1 3.26Å; P493-Q511 VanDerWaalsContact CG-NE2 3.29Å; M507-Q511 PolarHBondContact O-N 3.35Å; E508-Q511 PolarHBondContact O-N 3.18Å; K509-Q511 VanDerWaalsContact C-N 3.35Å; Q511-P513 WeakPolarHBondContact O-CD 3.26Å
512K66.4Low58.1Low116 Ų116115.6 Ų115.650%0.50456%0.562SS.*SBendtrans-64123.9171.3-83.1172.8-175.9161.10108.7I322 E508 R514I322-K512 HydrophobicContact CD1-CG 4.13Å; E508-K512 WeakPolarHBondContact O-CG 3.17Å; E508-K512 PolarHBondContact O-N 3.16Å; E508-K512 IonicContact OE2-NZ 3.05Å; E508-K512 PolarHBondContact OE2-NZ 3.05Å; K512-R514 PolarHBondContact O-N 3.3Å; K512-R514 VanDerWaalsContact O-N 3.13Å
513P54Low56.1Low112 Ų112114 Ų11473%0.72756%0.555SS**  trans-56.5124.2176.220-29.3000108.8Q511 K515Q511-P513 WeakPolarHBondContact O-CD 3.26Å; P513-K515 VanDerWaalsContact C-N 3.26Å; P513-K515 PolarHBondContact O-N 3.46Å
514R44.1Very low54.1Low222 Ų222115.1 Ų115.184%0.83856%0.561SS**  trans-59.689.2174.9-84.9-177.8164.3172.7-4.6108.6K512 G516K512-R514 PolarHBondContact O-N 3.3Å; K512-R514 VanDerWaalsContact O-N 3.13Å; R514-G516 PolarHBondContact O-N 3.2Å
515K34.8Very low52.2Low204 Ų204119 Ų11989%0.88758%0.582SS**  trans-63.5103164.7-83.3-174.5174.4-177.60107.3P513P513-K515 VanDerWaalsContact C-N 3.26Å; P513-K515 PolarHBondContact O-N 3.46Å
516G33.8Very low50.2Low76 Ų76118.4 Ų118.478%0.78458%0.579SS**SBendtrans75.548.7153.200000118.6R514R514-G516 PolarHBondContact O-N 3.2Å
517R31.3Very low48.3Very low206 Ų206120.8 Ų120.878%0.77759%0.593SS**  trans-126.479.8155.4-103.9-175.5-173.4173.93.5110.5
518R34.3Very low46.3Very low242 Ų242127.2 Ų127.291%0.91362%0.624SS**  trans-66.3142.7135.8-76.7-175.4-171.3-179.32.9105.5
519V35.3Very low44.5Very low121 Ų121130 Ų13073%0.73365%0.646SS**SBendtrans85.381.8-177.7-160.90000114.3
520K31.6Very low42.8Very low120 Ų120129.6 Ų129.652%0.52265%0.651SS.*  169.259.7126.4-92-175.9170-161.30110.3S522K520-S522 PolarHBondContact O-N 2.91Å
521D37.5Very low41.3Very low134 Ų134130.2 Ų130.272%0.71766%0.658SS**THydrogen-bonded Turntrans-77.62.2162.8-73.3-30.6000111.8
522S39.4Very low39.7Very low82 Ų82131 Ų13157%0.57368%0.676SS**THydrogen-bonded Turntrans-89.22177.353.10000115.6K520K520-S522 PolarHBondContact O-N 2.91Å
523Q36.9Very low38.4Very low101 Ų101131.3 Ų131.347%0.47269%0.689SS.*THydrogen-bonded Turntrans-109.8-8.4176.9-72.3-165.1-68.100114.8
524V39.8Very low37.7Very low88 Ų88135 Ų13553%0.53372%0.718SS.*Hα-helixtrans-81.9-37.7173-177.60000110.3Q526 L527 E528V524-Q526 PolarHBondContact O-N 2.92Å; V524-L527 PolarHBondContact O-N 3.12Å; V524-L527 VanDerWaalsContact O-N 3.12Å; V524-E528 PolarHBondContact O-N 2.92Å
525D40.4Very low37.4Very low112 Ų112130.6 Ų130.660%0.59971%0.712SS**Hα-helixtrans-63.9-26.2175.8-64.5-8.1000113.2S529D525-S529 PolarHBondContact O-N 2.95Å
526Q36.8Very low37.5Very low125 Ų125126.7 Ų126.758%0.58470%0.703SS**Hα-helixtrans-73.8-28176.5-75.4-171.1-2700113.2V524 S529V524-Q526 PolarHBondContact O-N 2.92Å; Q526-S529 PolarHBondContact O-OG 3.02Å
527L38.3Very low37.7Very low124 Ų124129.6 Ų129.665%0.64970%0.698SS**Hα-helixtrans-79-28.2176.4-89151.5000112.2V524 L530V524-L527 PolarHBondContact O-N 3.12Å; V524-L527 VanDerWaalsContact O-N 3.12Å; L527-L530 PolarHBondContact O-N 3.3Å
528E37.4Very low38.1Very low138 Ų138125.1 Ų125.165%0.64569%0.693SS**Hα-helixtrans-71.9-29.8174.5-69.1-171.1166.200112.5V524 L530 V531V524-E528 PolarHBondContact O-N 2.92Å; E528-L530 VanDerWaalsContact C-N 3.25Å; E528-L530 PolarHBondContact O-N 3.45Å; E528-V531 PolarHBondContact O-N 2.86Å
529S42.3Very low38.3Very low88 Ų88117.8 Ų117.862%0.61568%0.68SS**THydrogen-bonded Turntrans-71.3-14.3175.970.90000115D525 Q526D525-S529 PolarHBondContact O-N 2.95Å; Q526-S529 PolarHBondContact O-OG 3.02Å
530L41.8Very low38.5Very low145 Ų145117.5 Ų117.576%0.75968%0.676SS**THydrogen-bonded Turntrans-96.4-6179.9-78.5162.4000113.9L527 E528L527-L530 PolarHBondContact O-N 3.3Å; E528-L530 VanDerWaalsContact C-N 3.25Å; E528-L530 PolarHBondContact O-N 3.45Å
531V41.2Very low39Very low116 Ų116117.4 Ų117.470%0.70369%0.687SS**SBendtrans-121.114.4-176.8-166.50000112.4E528 P533E528-V531 PolarHBondContact O-N 2.86Å; V531-P533 WeakPolarHBondContact O-CD 3.49Å
532A36Very low39.1Very low80 Ų80116.1 Ų116.166%0.66169%0.685SS**  trans-92.296.6164.500000109.5S534A532-S534 PolarHBondContact O-N 2.79Å
533P40Very low39.1Very low121 Ų121118.9 Ų118.979%0.78669%0.694SS**  trans-67.6129.5162.828.9-30.9000108.5V531V531-P533 WeakPolarHBondContact O-CD 3.49Å
534S38.6Very low39.3Very low189 Ų189120.5 Ų120.5100%1.32271%0.714SS**  trans-47.40169.753.50000113.9A532A532-S534 PolarHBondContact O-N 2.79Å

Retrieved 534 of 534 residues in 1993.3 ms (Link to these results)

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