A0A061I9S9_CRIGR Loading...

Olfactory receptor

AlphaFold DB , UniProt , Accession A0A061I9S9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100757396, Length 308 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
1M31.7Very low44.7Very low245 Ų245132.1 Ų132.1100%1.20772%0.716SS**  097.90-71.1176.5-162.600106.7
2I32.1Very low47.2Very low157 Ų157121.2 Ų121.281%0.80566%0.656SS**  trans-96.7112.1168.5-61.9174.1000104E4I2-E4 PolarHBondContact O-N 3.49Å; I2-E4 VanDerWaalsContact O-N 3.15Å
3T36.4Very low49.3Very low132 Ų132116.9 Ų116.981%0.8163%0.632SS**  trans-68.197.6167.531.60000108.2N5T3-N5 PolarHBondContact O-N 3.02Å
4E34.3Very low51.1Low143 Ų143108.6 Ų108.667%0.66859%0.587SS**  trans-79.199.2162.5-86.1173.7172.600108.5I2 E6I2-E4 PolarHBondContact O-N 3.49Å; I2-E4 VanDerWaalsContact O-N 3.15Å; E4-E6 HydrophobicContact CB-CB 4.46Å; E4-E6 HydrophobicContact CB-CG 4.05Å; E4-E6 HydrophobicContact CG-CG 4.1Å; E4-E6 PolarHBondContact O-N 3.4Å; E4-E6 VanDerWaalsContact O-N 3.17Å
5N39Very low52.4Low163 Ų163107 Ų10787%0.87258%0.577SS**  trans-78.762156.1-91.9-9000108.4T3 T7T3-N5 PolarHBondContact O-N 3.02Å; N5-T7 PolarHBondContact O-N 3.35Å
6E39.9Very low53.6Low122 Ų122100.4 Ų100.457%0.5754%0.543SS*.  trans-95.274.6176.8-70.2-156.8148.400110.9E4 L8E4-E6 HydrophobicContact CB-CB 4.46Å; E4-E6 HydrophobicContact CB-CG 4.05Å; E4-E6 HydrophobicContact CG-CG 4.1Å; E4-E6 PolarHBondContact O-N 3.4Å; E4-E6 VanDerWaalsContact O-N 3.17Å; E6-L8 HydrophobicContact CB-CD1 4.25Å; E6-L8 HydrophobicContact CB-CG 4.42Å; E6-L8 HydrophobicContact CG-CD1 4.32Å; E6-L8 PolarHBondContact O-N 3.37Å; E6-L8 VanDerWaalsContact OE2-CD1 3.25Å; E6-L8 WeakPolarHBondContact OE2-CD1 3.28Å
7T39.8Very low54.4Low144 Ų14496.6 Ų96.688%0.88352%0.52SS*.  trans-74.965.1147.353.40000107.7N5 A9N5-T7 PolarHBondContact O-N 3.35Å; T7-A9 PolarHBondContact O-N 3.17Å
8L45.6Very low55.2Low122 Ų12296.4 Ų96.464%0.63953%0.525SS*.  trans-61.3123.2168.6-96.9158.7000107E6 Q10E6-L8 HydrophobicContact CB-CD1 4.25Å; E6-L8 HydrophobicContact CB-CG 4.42Å; E6-L8 HydrophobicContact CG-CD1 4.32Å; E6-L8 PolarHBondContact O-N 3.37Å; E6-L8 VanDerWaalsContact OE2-CD1 3.25Å; E6-L8 WeakPolarHBondContact OE2-CD1 3.28Å; L8-Q10 PolarHBondContact O-N 3.43Å
9A52Low56.1Low87 Ų8793.4 Ų93.472%0.71952%0.518SS*.  trans-56102172.700000108.7T7 D11T7-A9 PolarHBondContact O-N 3.17Å; A9-D11 PolarHBondContact O-N 3.44Å
10Q67.6Low57.3Low58 Ų5893.4 Ų93.427%0.27152%0.522SS..  trans-77.5110.2-177.4-159.5166.412.900108.2L8 F12 F94 N172L8-Q10 PolarHBondContact O-N 3.43Å; Q10-F12 HydrophobicContact CB-CE2 4.35Å; Q10-F12 HydrophobicContact CG-CE2 4.41Å; Q10-F12 HydrophobicContact CG-CZ 4.32Å; Q10-F12 WeakPolarHBondContact O-CE2 3.4Å; Q10-F94 PolarHBondContact O-N 3.03Å; Q10-F94 VanDerWaalsContact O-N 3.13Å; Q10-N172 PolarHBondContact NE2-OD1 3.3Å
11D73.3Confident58.5Low80 Ų8097 Ų9743%0.42854%0.535SS..EExtended strand (participates in β ladder)trans-85.7132.6174-76-19.3000109.9A9 S93 N172A9-D11 PolarHBondContact O-N 3.44Å; D11-S93 WeakPolarHBondContact OD1-CA 3.4Å; D11-N172 VanDerWaalsContact O-CB 3.25Å; D11-N172 WeakPolarHBondContact O-CB 2.97Å; D11-N172 PolarHBondContact O-ND2 3.46Å
12F74.6Confident60.9Low1 Ų188.9 Ų88.90%0.00451%0.507CS..EExtended strand (participates in β ladder)trans-103145.7177.1-65.5-92000111Q10 T91 I92 F94 F168 N172 I174 W184 L187Q10-F12 HydrophobicContact CB-CE2 4.35Å; Q10-F12 HydrophobicContact CG-CE2 4.41Å; Q10-F12 HydrophobicContact CG-CZ 4.32Å; Q10-F12 WeakPolarHBondContact O-CE2 3.4Å; F12-T91 CarbonylContact O-C 3.42Å; F12-T91 WeakPolarHBondContact O-CA 3.38Å; F12-I92 HydrophobicContact CB-CG2 4.05Å; F12-I92 PolarHBondContact N-O 2.85Å; F12-I92 PolarHBondContact O-N 3.37Å; F12-F94 HydrophobicContact CE2-CB 3.97Å; F12-F94 AromaticContact CE2-CD2 3.77Å; F12-F94 HydrophobicContact CE2-CD2 3.77Å; F12-F94 HydrophobicContact CE2-CG 4.38Å; F12-F94 HydrophobicContact CZ-CD2 4.25Å; F12-F168 HydrophobicContact CZ-CD2 4.36Å; F12-F168 HydrophobicContact CZ-CG 4.4Å; F12-N172 CarbonylContact C-O 3.19Å; F12-N172 WeakPolarHBondContact CA-O 3.02Å; F12-N172 HydrophobicContact CD1-CB 4.43Å; F12-I174 HydrophobicContact CB-CD1 3.9Å; F12-I174 HydrophobicContact CB-CG1 4.41Å; F12-I174 HydrophobicContact CD1-CD1 3.9Å; F12-I174 HydrophobicContact CD1-CG1 4.11Å; F12-I174 HydrophobicContact CG-CD1 3.99Å; F12-W184 HydrophobicContact CD2-CH2 4.29Å; F12-W184 HydrophobicContact CE1-CZ3 4.07Å; F12-W184 AromaticContact CE2-CH2 3.78Å; F12-W184 HydrophobicContact CE2-CH2 3.78Å; F12-W184 AromaticContact CE2-CZ3 3.82Å; F12-W184 HydrophobicContact CE2-CZ3 3.82Å; F12-W184 HydrophobicContact CZ-CE3 4.39Å; F12-W184 AromaticContact CZ-CH2 3.94Å; F12-W184 HydrophobicContact CZ-CH2 3.94Å; F12-W184 AromaticContact CZ-CZ3 3.48Å; F12-W184 HydrophobicContact CZ-CZ3 3.48Å; F12-W184 VanDerWaalsContact CZ-CZ3 3.48Å; F12-L187 HydrophobicContact CD1-CD1 4.23Å; F12-L187 HydrophobicContact CE1-CD1 4.18Å
13I74.9Confident63.2Low66 Ų6685.1 Ų85.134%0.33849%0.488SS..EExtended strand (participates in β ladder)trans-103.4115.6176.7-57.7175.2000107.8L15 Q90 T91 N172 A173 I174I13-L15 HydrophobicContact CG2-CD2 4.42Å; I13-Q90 WeakPolarHBondContact CA-O 3.37Å; I13-Q90 HydrophobicContact CG2-CB 4.02Å; I13-T91 HydrophobicContact CG1-CG2 4.2Å; I13-N172 PolarHBondContact N-O 3.15Å; I13-A173 CarbonylContact O-C 3.53Å; I13-A173 WeakPolarHBondContact O-CA 3.33Å; I13-I174 PolarHBondContact O-N 3.22Å
14L74.8Confident65.3Low0 Ų081.8 Ų81.80%046%0.463CS..EExtended strand (participates in β ladder)trans-84114.5172.5-72.9161.4000109.2G16 K80 I84 Q90 I92 I174 H176L14-G16 VanDerWaalsContact C-N 3.34Å; L14-K80 HydrophobicContact CD1-CG 3.91Å; L14-I84 HydrophobicContact CB-CD1 3.4Å; L14-I84 VanDerWaalsContact CB-CD1 3.4Å; L14-I84 HydrophobicContact CB-CG1 4.3Å; L14-I84 HydrophobicContact CD1-CD1 3.74Å; L14-I84 HydrophobicContact CG-CD1 4.19Å; L14-Q90 PolarHBondContact N-O 3.48Å; L14-I92 HydrophobicContact CD1-CB 4.23Å; L14-I92 HydrophobicContact CD1-CD1 4.35Å; L14-I92 HydrophobicContact CD1-CG2 3.78Å; L14-I92 HydrophobicContact CG-CG2 4.05Å; L14-I174 HydrophobicContact CD2-CB 3.88Å; L14-I174 HydrophobicContact CD2-CG2 3.55Å; L14-H176 WeakPolarHBondContact CD2-O 3.5Å
15L69.4Low67.7Low85 Ų8580.4 Ų80.445%0.44546%0.46SS..  trans-75.6-22.3-177.2-62.5172.4000112.9I13 F17 A173 I174 N175I13-L15 HydrophobicContact CG2-CD2 4.42Å; L15-F17 PolarHBondContact O-N 3.45Å; L15-A173 HydrophobicContact CD1-CB 4.29Å; L15-A173 HydrophobicContact CG-CB 4.45Å; L15-I174 PolarHBondContact N-O 2.92Å; L15-N175 HydrophobicContact CD1-CB 4Å
16G72.3Confident69.7Low2 Ų276.2 Ų76.22%0.02144%0.444CS..  trans61.1-123.4178.500000113.5L14 H176 K272L14-G16 VanDerWaalsContact C-N 3.34Å; G16-H176 PolarHBondContact N-O 2.89Å; G16-K272 PolarHBondContact O-NZ 3.29Å; G16-K272 VanDerWaalsContact O-NZ 3.11Å
17F68.1Low71.6Confident36 Ų3671.9 Ų71.916%0.15842%0.424CS..  trans-112.5113.1-178.3-65.9-83.2000110.9L15 Q24 L27 F31 L85 F177 K272 V276L15-F17 PolarHBondContact O-N 3.45Å; F17-Q24 PolarHBondContact O-NE2 3.2Å; F17-L27 HydrophobicContact CB-CD1 3.67Å; F17-L27 HydrophobicContact CD1-CD1 4.23Å; F17-L27 HydrophobicContact CD2-CD1 4.05Å; F17-L27 HydrophobicContact CG-CD1 3.72Å; F17-F31 HydrophobicContact CE2-CE1 4.48Å; F17-F31 HydrophobicContact CE2-CE2 4.37Å; F17-F31 AromaticContact CE2-CZ 3.77Å; F17-F31 HydrophobicContact CE2-CZ 3.77Å; F17-F31 HydrophobicContact CZ-CZ 4.05Å; F17-L85 HydrophobicContact CD2-CD2 4.26Å; F17-F177 HydrophobicContact CD2-CB 4.45Å; F17-F177 HydrophobicContact CE2-CB 3.86Å; F17-F177 HydrophobicContact CE2-CD1 4.05Å; F17-F177 AromaticContact CE2-CG 3.96Å; F17-F177 HydrophobicContact CE2-CG 3.96Å; F17-F177 HydrophobicContact CZ-CB 4.45Å; F17-F177 AromaticContact CZ-CD1 3.79Å; F17-F177 HydrophobicContact CZ-CD1 3.79Å; F17-F177 HydrophobicContact CZ-CE1 4.26Å; F17-F177 HydrophobicContact CZ-CG 4.17Å; F17-K272 HydrophobicContact CE1-CB 4.37Å; F17-V276 HydrophobicContact CZ-CG2 3.81Å
18P68.6Low73.9Confident93 Ų9367.2 Ų67.260%0.60439%0.392SS*.  trans-70.3138.7174.429.1-32.5000110.3
19G71.5Confident75.8Confident39 Ų3966.3 Ų66.340%0.40239%0.385SS..SBendtrans160.3175.8176.200000114.5
20P81.1Confident77.3Confident92 Ų9266.2 Ų66.260%0.59737%0.372SS*.  trans-63.7153.2178.126-32.5000111.2A22 L23 Q24P20-A22 PolarHBondContact O-N 2.92Å; P20-A22 VanDerWaalsContact O-N 3.07Å; P20-L23 HydrophobicContact CG-CB 4.04Å; P20-L23 WeakPolarHBondContact O-CA 3.36Å; P20-L23 WeakPolarHBondContact O-CB 3.28Å; P20-L23 PolarHBondContact O-N 3.49Å; P20-Q24 PolarHBondContact O-N 2.98Å
21Q81.1Confident77.9Confident169 Ų16963.5 Ų63.579%0.7936%0.36SS*.Hα-helixtrans-53.6-34.4-177.8-169.4176.96.600113.1L23 Q24 L25Q21-L23 PolarHBondContact O-N 2.94Å; Q21-Q24 PolarHBondContact O-N 3.01Å; Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.32Å
22A82.8Confident78.6Confident76 Ų7662.2 Ų62.263%0.62835%0.352SS*.Hα-helixtrans-61.9-39.2174.900000113P20 S26P20-A22 PolarHBondContact O-N 2.92Å; P20-A22 VanDerWaalsContact O-N 3.07Å; A22-S26 WeakPolarHBondContact O-CB 3.35Å; A22-S26 PolarHBondContact O-N 3.37Å
23L79.9Confident79.1Confident78 Ų7865.6 Ų65.641%0.40837%0.373SS..Hα-helixtrans-68.5-44.3176.6179.663.7000110.9P20 Q21 L25 S26 L27P20-L23 HydrophobicContact CG-CB 4.04Å; P20-L23 WeakPolarHBondContact O-CA 3.36Å; P20-L23 WeakPolarHBondContact O-CB 3.28Å; P20-L23 PolarHBondContact O-N 3.49Å; Q21-L23 PolarHBondContact O-N 2.94Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.28Å; L23-S26 WeakPolarHBondContact O-CB 3.45Å; L23-S26 PolarHBondContact O-N 3.09Å; L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 HydrophobicContact CD1-CG 4.39Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.01Å
24Q80.9Confident79.3Confident61 Ų6163.5 Ų63.529%0.28536%0.362SS..Hα-helixtrans-61.3-41.4177.4-68.1-179.4-21.400111.8F17 P20 Q21 L27 F28 L85F17-Q24 PolarHBondContact O-NE2 3.2Å; P20-Q24 PolarHBondContact O-N 2.98Å; Q21-Q24 PolarHBondContact O-N 3.01Å; Q24-L27 PolarHBondContact O-N 3.35Å; Q24-F28 WeakPolarHBondContact O-CB 3.4Å; Q24-F28 PolarHBondContact O-N 3.29Å; Q24-L85 HydrophobicContact CB-CD2 4.38Å
25L83.9Confident79.9Confident115 Ų11565.9 Ų65.960%0.60237%0.372SS*.Hα-helixtrans-64-41.8174.8-162.982.2000111.7Q21 L23 F28 M29Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.32Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 PolarHBondContact O-N 3.28Å; L25-F28 WeakPolarHBondContact O-CB 3.38Å; L25-F28 PolarHBondContact O-N 3.12Å; L25-M29 WeakPolarHBondContact O-CG 3.22Å; L25-M29 PolarHBondContact O-N 3.31Å
26S82Confident80.8Confident75 Ų7567 Ų6752%0.52438%0.377SS..Hα-helixtrans-62.9-44.7176-172.70000111.9A22 L23 F28 M29 L30A22-S26 WeakPolarHBondContact O-CB 3.35Å; A22-S26 PolarHBondContact O-N 3.37Å; L23-S26 WeakPolarHBondContact O-CB 3.45Å; L23-S26 PolarHBondContact O-N 3.09Å; S26-F28 VanDerWaalsContact C-N 3.34Å; S26-M29 PolarHBondContact O-N 2.89Å; S26-L30 WeakPolarHBondContact O-CB 3.37Å; S26-L30 PolarHBondContact O-N 3.1Å
27L80.6Confident81.4Confident31 Ų3170.9 Ų70.916%0.16240%0.397CS..Hα-helixtrans-64.6-39.3176.3-71.3172.8000111.4F17 L23 Q24 L30 F31 L85F17-L27 HydrophobicContact CB-CD1 3.67Å; F17-L27 HydrophobicContact CD1-CD1 4.23Å; F17-L27 HydrophobicContact CD2-CD1 4.05Å; F17-L27 HydrophobicContact CG-CD1 3.72Å; L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 HydrophobicContact CD1-CG 4.39Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.01Å; Q24-L27 PolarHBondContact O-N 3.35Å; L27-L30 PolarHBondContact O-N 2.66Å; L27-F31 HydrophobicContact CD2-CE2 4.48Å; L27-F31 WeakPolarHBondContact O-CB 3.36Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 3.35Å; L27-L85 HydrophobicContact CB-CD1 4.14Å; L27-L85 HydrophobicContact CB-CD2 3.99Å; L27-L85 HydrophobicContact CD1-CD2 4.4Å
28F86.1Confident82.2Confident45 Ų4569.2 Ų69.220%0.19739%0.39CS..Hα-helixtrans-58.7-51175173.7-98.2000111.3Q24 L25 S26 L30 F31 L32 L82 L85 V86Q24-F28 WeakPolarHBondContact O-CB 3.4Å; Q24-F28 PolarHBondContact O-N 3.29Å; L25-F28 WeakPolarHBondContact O-CB 3.38Å; L25-F28 PolarHBondContact O-N 3.12Å; S26-F28 VanDerWaalsContact C-N 3.34Å; F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 2.95Å; F28-F31 PolarHBondContact O-N 2.97Å; F28-L32 HydrophobicContact CE1-CD2 3.98Å; F28-L32 HydrophobicContact CZ-CD2 4.16Å; F28-L32 VanDerWaalsContact O-CB 3.23Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 3.04Å; F28-L82 HydrophobicContact CD2-CB 4.25Å; F28-L82 HydrophobicContact CD2-CD2 3.55Å; F28-L82 HydrophobicContact CE2-CB 4.02Å; F28-L82 HydrophobicContact CE2-CD2 3.74Å; F28-L82 HydrophobicContact CE2-CG 4.43Å; F28-L82 HydrophobicContact CG-CD2 4.35Å; F28-L82 WeakPolarHBondContact O-CD2 3.2Å; F28-L85 HydrophobicContact CB-CB 4.03Å; F28-L85 HydrophobicContact CB-CD1 4.4Å; F28-L85 HydrophobicContact CD2-CB 4.31Å; F28-V86 HydrophobicContact CD1-CG2 4.34Å; F28-V86 HydrophobicContact CD2-CG2 3.24Å; F28-V86 HydrophobicContact CE1-CG2 4.3Å; F28-V86 HydrophobicContact CE2-CG2 3.18Å; F28-V86 HydrophobicContact CG-CG2 3.84Å; F28-V86 HydrophobicContact CZ-CG2 3.75Å
29M86.1Confident83.1Confident103 Ų10366.5 Ų66.551%0.50737%0.37SS..Hα-helixtrans-60.9-42.4178.8-69-60-72.500111.4L25 S26 L32 V33L25-M29 WeakPolarHBondContact O-CG 3.22Å; L25-M29 PolarHBondContact O-N 3.31Å; S26-M29 PolarHBondContact O-N 2.89Å; M29-L32 PolarHBondContact O-N 2.81Å; M29-V33 WeakPolarHBondContact O-CB 3.43Å; M29-V33 VanDerWaalsContact O-CG2 3.27Å; M29-V33 WeakPolarHBondContact O-CG2 3.41Å; M29-V33 PolarHBondContact O-N 2.89Å
30L83.1Confident83.9Confident85 Ų8566.7 Ų66.745%0.44537%0.372SS..Hα-helixtrans-60.5-52.5177.1176.664.7000111.7S26 L27 F28 L32 V33 M34S26-L30 WeakPolarHBondContact O-CB 3.37Å; S26-L30 PolarHBondContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 2.66Å; F28-L30 VanDerWaalsContact C-N 3.3Å; F28-L30 PolarHBondContact O-N 2.95Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.47Å; L30-V33 PolarHBondContact O-N 3.42Å; L30-M34 HydrophobicContact CD1-CE 3.82Å; L30-M34 HydrophobicContact CD1-CG 4.29Å; L30-M34 HydrophobicContact CD1-SD 4.22Å; L30-M34 HydrophobicContact CD2-CE 4.03Å; L30-M34 HydrophobicContact CG-CE 3.54Å; L30-M34 WeakPolarHBondContact O-CB 3.28Å; L30-M34 VanDerWaalsContact O-CG 3.32Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.46Å
31F81.3Confident84.1Confident2 Ų263.1 Ų63.11%0.00935%0.352CS..Hα-helixtrans-63.6-37.8179.9-84.7-124.9000111.6F17 L27 F28 Y35 V78 A81 L82 F177 V276 V280F17-F31 HydrophobicContact CE2-CE1 4.48Å; F17-F31 HydrophobicContact CE2-CE2 4.37Å; F17-F31 AromaticContact CE2-CZ 3.77Å; F17-F31 HydrophobicContact CE2-CZ 3.77Å; F17-F31 HydrophobicContact CZ-CZ 4.05Å; L27-F31 HydrophobicContact CD2-CE2 4.48Å; L27-F31 WeakPolarHBondContact O-CB 3.36Å; L27-F31 WeakPolarHBondContact O-CD2 3.36Å; L27-F31 PolarHBondContact O-N 3.35Å; F28-F31 PolarHBondContact O-N 2.97Å; F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 2.88Å; F31-V78 HydrophobicContact CB-CG1 4.39Å; F31-V78 HydrophobicContact CD1-CG1 4.25Å; F31-A81 HydrophobicContact CD1-CB 4.24Å; F31-A81 HydrophobicContact CE1-CB 4.21Å; F31-L82 HydrophobicContact CB-CD2 3.55Å; F31-L82 HydrophobicContact CB-CG 4.32Å; F31-F177 HydrophobicContact CE1-CD2 4.09Å; F31-F177 HydrophobicContact CE1-CE2 4.14Å; F31-V276 HydrophobicContact CE2-CG1 4.32Å; F31-V276 HydrophobicContact CE2-CG2 4.39Å; F31-V276 HydrophobicContact CZ-CG1 4.24Å; F31-V276 HydrophobicContact CZ-CG2 3.68Å; F31-V280 HydrophobicContact CD1-CG2 4.39Å; F31-V280 HydrophobicContact CE1-CG2 4.09Å; F31-V280 HydrophobicContact CZ-CG2 4.46Å
32L87.3Confident84.4Confident52 Ų5255.2 Ų55.227%0.27232%0.315SS..Hα-helixtrans-65.7-48.2179179.765.2000111.1F28 M29 L30 Y35 L36 L82F28-L32 HydrophobicContact CE1-CD2 3.98Å; F28-L32 HydrophobicContact CZ-CD2 4.16Å; F28-L32 VanDerWaalsContact O-CB 3.23Å; F28-L32 WeakPolarHBondContact O-CB 3.34Å; F28-L32 PolarHBondContact O-N 3.04Å; M29-L32 PolarHBondContact O-N 2.81Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.47Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-L36 HydrophobicContact CD1-CD1 4.34Å; L32-L36 HydrophobicContact CD1-CG 4.45Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.93Å; L32-L82 HydrophobicContact CB-CD2 4.08Å; L32-L82 HydrophobicContact CD1-CD1 4.21Å
33V84.9Confident84.7Confident73 Ų7355.3 Ų55.344%0.44230%0.304SS..Hα-helixtrans-61.9-46.4177.9169.50000110.4M29 L30 Y35 L36 L37M29-V33 WeakPolarHBondContact O-CB 3.43Å; M29-V33 VanDerWaalsContact O-CG2 3.27Å; M29-V33 WeakPolarHBondContact O-CG2 3.41Å; M29-V33 PolarHBondContact O-N 2.89Å; L30-V33 PolarHBondContact O-N 3.42Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3Å; V33-L36 PolarHBondContact O-N 3.48Å; V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; V33-L37 WeakPolarHBondContact O-CB 3.3Å; V33-L37 VanDerWaalsContact O-CG 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.02Å
34M80.4Confident85.1Confident22 Ų2254.2 Ų54.211%0.10831%0.306CS..Hα-helixtrans-63-40.5178.1-70-162.5-74.500112.2L30 L37 S38 V280 V281 V284L30-M34 HydrophobicContact CD1-CE 3.82Å; L30-M34 HydrophobicContact CD1-CG 4.29Å; L30-M34 HydrophobicContact CD1-SD 4.22Å; L30-M34 HydrophobicContact CD2-CE 4.03Å; L30-M34 HydrophobicContact CG-CE 3.54Å; L30-M34 WeakPolarHBondContact O-CB 3.28Å; L30-M34 VanDerWaalsContact O-CG 3.32Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.46Å; M34-L37 PolarHBondContact O-N 3.46Å; M34-S38 WeakPolarHBondContact O-CB 3.43Å; M34-S38 PolarHBondContact O-N 3.04Å; M34-V280 HydrophobicContact CB-CG1 3.43Å; M34-V280 VanDerWaalsContact CB-CG1 3.43Å; M34-V280 HydrophobicContact CE-CB 3.81Å; M34-V280 HydrophobicContact CE-CG1 3.18Å; M34-V280 HydrophobicContact CG-CG1 4.07Å; M34-V280 HydrophobicContact SD-CB 4.26Å; M34-V280 HydrophobicContact SD-CG1 3.6Å; M34-V281 HydrophobicContact SD-CG2 4.09Å; M34-V284 HydrophobicContact CB-CG2 3.91Å; M34-V284 HydrophobicContact CG-CG2 4.37Å; M34-V284 WeakPolarHBondContact O-CG2 3.44Å
35Y86.5Confident85.3Confident50 Ų5051.6 Ų51.620%0.19629%0.294CS..Hα-helixtrans-58.6-52.1174.5177.6-111.5000111.7F31 L32 V33 L37 S38 I39 T75 V78F31-Y35 WeakPolarHBondContact O-CB 3.44Å; F31-Y35 PolarHBondContact O-N 2.88Å; L32-Y35 PolarHBondContact O-N 3.28Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 3Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.22Å; Y35-S38 PolarHBondContact O-N 3.39Å; Y35-I39 HydrophobicContact CD2-CD1 4.49Å; Y35-I39 HydrophobicContact CD2-CG1 3.97Å; Y35-I39 HydrophobicContact CE1-CG1 4.23Å; Y35-I39 HydrophobicContact CE2-CD1 3.78Å; Y35-I39 HydrophobicContact CE2-CG1 3.58Å; Y35-I39 HydrophobicContact CG-CG1 4.44Å; Y35-I39 VanDerWaalsContact O-CG1 3.26Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 3.4Å; Y35-T75 PolarHBondContact OH-OG1 3.36Å; Y35-V78 HydrophobicContact CD2-CB 4.05Å; Y35-V78 HydrophobicContact CD2-CG1 4.19Å; Y35-V78 HydrophobicContact CG-CG1 4.24Å
36L88.5Confident85.3Confident107 Ų10749.7 Ų49.756%0.5628%0.281SS*.Hα-helixtrans-62-40.7-179.8-68174.1000112.2L32 V33 G40L32-L36 HydrophobicContact CD1-CD1 4.34Å; L32-L36 HydrophobicContact CD1-CG 4.45Å; L32-L36 HydrophobicContact CG-CD1 4.25Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.93Å; V33-L36 PolarHBondContact O-N 3.48Å; L36-G40 PolarHBondContact O-N 2.94Å
37L84.4Confident85.5Confident84 Ų8450.4 Ų50.444%0.4428%0.278SS..Hα-helixtrans-65.6-43.3176.5-72.8174.6000112.1V33 M34 Y35 G41 V284V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; V33-L37 WeakPolarHBondContact O-CB 3.3Å; V33-L37 VanDerWaalsContact O-CG 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.02Å; M34-L37 PolarHBondContact O-N 3.46Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.22Å; L37-G41 PolarHBondContact O-N 3.47Å; L37-V284 HydrophobicContact CB-CG1 4.31Å
38S84.3Confident85.6Confident1 Ų149.4 Ų49.41%0.00727%0.273CS..Hα-helixtrans-63.6-50.3178.1-177.90000111.2M34 Y35 G40 G41 N42 P283M34-S38 WeakPolarHBondContact O-CB 3.43Å; M34-S38 PolarHBondContact O-N 3.04Å; Y35-S38 PolarHBondContact O-N 3.39Å; S38-G40 PolarHBondContact O-N 3.07Å; S38-G41 PolarHBondContact O-N 3.47Å; S38-N42 WeakPolarHBondContact O-CB 3.49Å; S38-N42 PolarHBondContact O-N 2.9Å; S38-N42 PolarHBondContact O-ND2 2.57Å; S38-N42 PolarHBondContact OG-ND2 2.86Å; S38-P283 WeakPolarHBondContact OG-CB 3.43Å
39I89.4Confident85.5Confident37 Ų3747.9 Ų47.919%0.1927%0.267CS..Hα-helixtrans-60.8-49.6178.8-63.3-68.5000110.2Y35 G41 M43 I71 T75Y35-I39 HydrophobicContact CD2-CD1 4.49Å; Y35-I39 HydrophobicContact CD2-CG1 3.97Å; Y35-I39 HydrophobicContact CE1-CG1 4.23Å; Y35-I39 HydrophobicContact CE2-CD1 3.78Å; Y35-I39 HydrophobicContact CE2-CG1 3.58Å; Y35-I39 HydrophobicContact CG-CG1 4.44Å; Y35-I39 VanDerWaalsContact O-CG1 3.26Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 3.4Å; I39-G41 PolarHBondContact O-N 3.48Å; I39-M43 HydrophobicContact CG2-CG 4.27Å; I39-M43 WeakPolarHBondContact O-CB 3.2Å; I39-M43 WeakPolarHBondContact O-CG 3.09Å; I39-M43 PolarHBondContact O-N 2.87Å; I39-I71 HydrophobicContact CD1-CB 4.21Å; I39-I71 HydrophobicContact CD1-CG1 4.33Å; I39-I71 HydrophobicContact CD1-CG2 3.79Å; I39-T75 WeakPolarHBondContact CD1-OG1 3.32Å
40G87.3Confident85.3Confident42 Ų4246 Ų4643%0.43326%0.264SS..Hα-helixtrans-61-45.4179.500000112.9L36 S38 A44L36-G40 PolarHBondContact O-N 2.94Å; S38-G40 PolarHBondContact O-N 3.07Å; G40-A44 VanDerWaalsContact O-CB 3.32Å; G40-A44 WeakPolarHBondContact O-CB 3.27Å; G40-A44 PolarHBondContact O-N 3.31Å
41G84.9Confident85.2Confident18 Ų1845.7 Ų45.719%0.18627%0.266CS..Hα-helixtrans-66.1-47.5-179.200000113.1L37 S38 I39 A44 I45L37-G41 PolarHBondContact O-N 3.47Å; S38-G41 PolarHBondContact O-N 3.47Å; I39-G41 PolarHBondContact O-N 3.48Å; G41-A44 WeakPolarHBondContact O-CB 3.38Å; G41-A44 PolarHBondContact O-N 3.33Å; G41-I45 PolarHBondContact O-N 2.9Å
42N88.7Confident85.1Confident3 Ų346.3 Ų46.32%0.01627%0.27CS..Hα-helixtrans-69.9-36.7179.2-74.5-65.3000111.8S38 A44 I45 F46 I71 P283S38-N42 WeakPolarHBondContact O-CB 3.49Å; S38-N42 PolarHBondContact O-N 2.9Å; S38-N42 PolarHBondContact O-ND2 2.57Å; S38-N42 PolarHBondContact OG-ND2 2.86Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-A44 PolarHBondContact O-N 3.36Å; N42-I45 PolarHBondContact O-N 3.11Å; N42-F46 WeakPolarHBondContact O-CB 3.31Å; N42-F46 PolarHBondContact O-N 2.93Å; N42-I71 HydrophobicContact CB-CD1 3.97Å; N42-I71 HydrophobicContact CB-CG1 3.71Å; N42-P283 PolarHBondContact ND2-O 3.47Å
43M88.8Confident84.5Confident78 Ų7851.9 Ų51.938%0.38430%0.295SS..Hα-helixtrans-62.6-41.2171.4-77.1-64.7-67.600111.6I39 I45 F46 L47 I71I39-M43 HydrophobicContact CG2-CG 4.27Å; I39-M43 WeakPolarHBondContact O-CB 3.2Å; I39-M43 WeakPolarHBondContact O-CG 3.09Å; I39-M43 PolarHBondContact O-N 2.87Å; M43-I45 VanDerWaalsContact C-N 3.34Å; M43-I45 PolarHBondContact O-N 3.19Å; M43-F46 PolarHBondContact O-N 3.1Å; M43-L47 WeakPolarHBondContact O-CB 3.35Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.15Å; M43-L47 PolarHBondContact O-N 2.87Å; M43-I71 HydrophobicContact CG-CD1 3.73Å; M43-I71 HydrophobicContact CG-CG1 4.45Å; M43-I71 HydrophobicContact SD-CD1 3.52Å; M43-I71 VanDerWaalsContact SD-CD1 3.52Å
44A86.7Confident83.8Confident55 Ų5555.1 Ų55.146%0.45531%0.305SS..Hα-helixtrans-62-41.5176.600000111.8G40 G41 N42 L48G40-A44 VanDerWaalsContact O-CB 3.32Å; G40-A44 WeakPolarHBondContact O-CB 3.27Å; G40-A44 PolarHBondContact O-N 3.31Å; G41-A44 WeakPolarHBondContact O-CB 3.38Å; G41-A44 PolarHBondContact O-N 3.33Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-A44 PolarHBondContact O-N 3.36Å; A44-L48 WeakPolarHBondContact O-CB 3.49Å; A44-L48 PolarHBondContact O-N 3.43Å
45I85.3Confident83.6Confident6 Ų654.2 Ų54.23%0.03130%0.301CS..Hα-helixtrans-62.1-50.6174.2-69.1169.9000110.8G41 N42 M43 L47 L48 V49 L63 S67 P287 T291G41-I45 PolarHBondContact O-N 2.9Å; N42-I45 PolarHBondContact O-N 3.11Å; M43-I45 VanDerWaalsContact C-N 3.34Å; M43-I45 PolarHBondContact O-N 3.19Å; I45-L47 VanDerWaalsContact C-N 3.31Å; I45-L47 PolarHBondContact O-N 3.11Å; I45-L48 PolarHBondContact O-N 3.3Å; I45-L48 VanDerWaalsContact O-N 3.1Å; I45-V49 HydrophobicContact CG2-CG2 4.21Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 2.81Å; I45-L63 HydrophobicContact CG2-CD2 3.92Å; I45-L63 HydrophobicContact CG2-CG 3.93Å; I45-S67 WeakPolarHBondContact CG2-OG 3.45Å; I45-P287 HydrophobicContact CD1-CB 3.98Å; I45-P287 HydrophobicContact CD1-CG 4.25Å; I45-T291 HydrophobicContact CD1-CG2 3.83Å; I45-T291 HydrophobicContact CG1-CG2 3.51Å
46F85.8Confident83.2Confident75 Ų7557.7 Ų57.733%0.32932%0.319SS..Hα-helixtrans-56.6-45.6-179.6-178.2-92.1000111.7N42 M43 S50 S64N42-F46 WeakPolarHBondContact O-CB 3.31Å; N42-F46 PolarHBondContact O-N 2.93Å; M43-F46 PolarHBondContact O-N 3.1Å; F46-S50 WeakPolarHBondContact O-CB 3.41Å; F46-S50 PolarHBondContact O-N 3.25Å; F46-S50 PolarHBondContact O-OG 3.31Å; F46-S64 VanDerWaalsContact CD2-OG 3.23Å; F46-S64 WeakPolarHBondContact CD2-OG 3.28Å
47L85.2Confident83.1Confident90 Ų9055.1 Ų55.147%0.47131%0.307SS..Hα-helixtrans-66.4-38175.9-70.5173.6000112.5M43 I45 S50 T51M43-L47 WeakPolarHBondContact O-CB 3.35Å; M43-L47 VanDerWaalsContact O-CG 3.27Å; M43-L47 WeakPolarHBondContact O-CG 3.15Å; M43-L47 PolarHBondContact O-N 2.87Å; I45-L47 VanDerWaalsContact C-N 3.31Å; I45-L47 PolarHBondContact O-N 3.11Å; L47-S50 VanDerWaalsContact CA-OG 3.31Å; L47-S50 WeakPolarHBondContact CA-OG 3.01Å; L47-S50 PolarHBondContact O-OG 2.72Å; L47-S50 VanDerWaalsContact O-OG 3.11Å; L47-T51 WeakPolarHBondContact O-CB 3.45Å; L47-T51 VanDerWaalsContact O-CG2 3.28Å; L47-T51 WeakPolarHBondContact O-CG2 3.29Å; L47-T51 PolarHBondContact O-N 3.06Å; L47-T51 PolarHBondContact O-OG1 2.72Å
48L83.4Confident83.2Confident10 Ų1052.1 Ų52.15%0.05229%0.293CS..Hα-helixtrans-66.7-45.3179.3-173.670.2000111.4A44 I45 S52 L55 V297 T300 L301A44-L48 WeakPolarHBondContact O-CB 3.49Å; A44-L48 PolarHBondContact O-N 3.43Å; I45-L48 PolarHBondContact O-N 3.3Å; I45-L48 VanDerWaalsContact O-N 3.1Å; L48-S52 WeakPolarHBondContact O-CB 3.48Å; L48-S52 PolarHBondContact O-N 3.36Å; L48-S52 VanDerWaalsContact O-N 3.11Å; L48-L55 HydrophobicContact CD1-CD1 4.47Å; L48-L55 HydrophobicContact CD2-CD1 3.85Å; L48-L55 HydrophobicContact CG-CD1 3.62Å; L48-V297 HydrophobicContact CD2-CB 4.31Å; L48-V297 HydrophobicContact CD2-CG1 3.53Å; L48-V297 HydrophobicContact CD2-CG2 4.39Å; L48-T300 HydrophobicContact CD1-CG2 3.75Å; L48-L301 HydrophobicContact CD1-CD2 4.11Å; L48-L301 HydrophobicContact CD1-CG 4.42Å; L48-L301 HydrophobicContact CD2-CD2 4.44Å; L48-L301 HydrophobicContact CD2-CG 4.26Å
49V84.3Confident83.5Confident12 Ų1252.8 Ų52.87%0.07330%0.296CS..Hα-helixtrans-65.9-43.4178.4176.50000110.8I45 T51 H56 Y60I45-V49 HydrophobicContact CG2-CG2 4.21Å; I45-V49 WeakPolarHBondContact O-CG2 3.19Å; I45-V49 PolarHBondContact O-N 2.81Å; V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 PolarHBondContact O-N 3.43Å; V49-H56 PolarHBondContact O-CD2 3.08Å; V49-H56 PolarHBondContact O-NE2 2.99Å; V49-Y60 HydrophobicContact CG2-CD1 4.4Å
50S80.4Confident83.4Confident63 Ų6351.8 Ų51.844%0.44129%0.29SS..Hα-helixtrans-69.8-26.3-179.653.90000114.4F46 L47F46-S50 WeakPolarHBondContact O-CB 3.41Å; F46-S50 PolarHBondContact O-N 3.25Å; F46-S50 PolarHBondContact O-OG 3.31Å; L47-S50 VanDerWaalsContact CA-OG 3.31Å; L47-S50 WeakPolarHBondContact CA-OG 3.01Å; L47-S50 PolarHBondContact O-OG 2.72Å; L47-S50 VanDerWaalsContact O-OG 3.11Å
51T80.5Confident83.6Confident79 Ų7953.7 Ų53.749%0.48529%0.287SS..Hα-helixtrans-98.8-11.9-177.859.70000114.3L47 V49 K304L47-T51 WeakPolarHBondContact O-CB 3.45Å; L47-T51 VanDerWaalsContact O-CG2 3.28Å; L47-T51 WeakPolarHBondContact O-CG2 3.29Å; L47-T51 PolarHBondContact O-N 3.06Å; L47-T51 PolarHBondContact O-OG1 2.72Å; V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 PolarHBondContact O-N 3.43Å; T51-K304 PolarHBondContact OG1-NZ 2.64Å
52S79.6Confident83.9Confident15 Ų1552.9 Ų52.911%0.10528%0.278CS..  trans-113.7105.3-176.9-172.70000111.5L48 Q54 L55 H56L48-S52 WeakPolarHBondContact O-CB 3.48Å; L48-S52 PolarHBondContact O-N 3.36Å; L48-S52 VanDerWaalsContact O-N 3.11Å; S52-Q54 PolarHBondContact O-N 3.49Å; S52-Q54 VanDerWaalsContact O-N 3.1Å; S52-L55 PolarHBondContact O-N 3.25Å; S52-H56 PolarHBondContact O-CD2 3.01Å; S52-H56 VanDerWaalsContact O-CD2 3.31Å
53Q74.4Confident84Confident170 Ų17053 Ų5379%0.79428%0.279SS*.G310 helixtrans-57-27.7174.2-70-175.1-10.100113L55 H56Q53-L55 PolarHBondContact O-N 3.26Å; Q53-H56 WeakPolarHBondContact O-CB 3.38Å; Q53-H56 PolarHBondContact O-N 3.48Å
54Q71.8Confident84.1Confident141 Ų14150.1 Ų50.166%0.65927%0.266SS*.G310 helixtrans-66.5-19.2177.4-64.9-177.6-500112.9S52S52-Q54 PolarHBondContact O-N 3.49Å; S52-Q54 VanDerWaalsContact O-N 3.1Å
55L75.5Confident84.4Confident3 Ų349 Ų492%0.01625%0.252CS..G310 helixtrans-101.36.7178.7-59.2176.4000112.3L48 S52 Q53 T57 Y60 T300L48-L55 HydrophobicContact CD1-CD1 4.47Å; L48-L55 HydrophobicContact CD2-CD1 3.85Å; L48-L55 HydrophobicContact CG-CD1 3.62Å; S52-L55 PolarHBondContact O-N 3.25Å; Q53-L55 PolarHBondContact O-N 3.26Å; L55-T57 PolarHBondContact O-N 3.32Å; L55-Y60 HydrophobicContact CB-CD2 3.97Å; L55-Y60 HydrophobicContact CB-CE2 4.44Å; L55-Y60 HydrophobicContact CB-CG 4.16Å; L55-Y60 HydrophobicContact CD2-CD1 4.5Å; L55-Y60 HydrophobicContact CD2-CD2 3.91Å; L55-Y60 HydrophobicContact CD2-CE1 4.13Å; L55-Y60 HydrophobicContact CD2-CE2 3.5Å; L55-Y60 VanDerWaalsContact CD2-CE2 3.5Å; L55-Y60 HydrophobicContact CD2-CG 4.43Å; L55-Y60 WeakPolarHBondContact O-CB 3.3Å; L55-Y60 WeakPolarHBondContact O-CD2 3.27Å; L55-T300 HydrophobicContact CD1-CG2 4.49Å
56H79.1Confident84.7Confident123 Ų12348.8 Ų48.857%0.56925%0.251SS*.  trans-7761.4176.3-69.1-172.8000111.5V49 S52 Q53V49-H56 PolarHBondContact O-CD2 3.08Å; V49-H56 PolarHBondContact O-NE2 2.99Å; S52-H56 PolarHBondContact O-CD2 3.01Å; S52-H56 VanDerWaalsContact O-CD2 3.31Å; Q53-H56 WeakPolarHBondContact O-CB 3.38Å; Q53-H56 PolarHBondContact O-N 3.48Å
57T85.3Confident84.9Confident52 Ų5245.3 Ų45.332%0.31924%0.236SC..SBendtrans-110.7156.4171.874.10000110.1L55 M59 Y60 F61L55-T57 PolarHBondContact O-N 3.32Å; T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 2.9Å; T57-Y60 HydrophobicContact CG2-CD2 4.41Å; T57-Y60 PolarHBondContact O-N 3.1Å; T57-Y60 VanDerWaalsContact O-N 3.1Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.43Å; T57-F61 PolarHBondContact O-N 3.08Å
58P87.6Confident85.3Confident22 Ų2245 Ų4514%0.14323%0.231CC..Hα-helixtrans-49.2-43.5178.1-33.639.1000114.4Y60 F61 F62 D121 M136 S141P58-Y60 PolarHBondContact O-N 3.39Å; P58-F61 WeakPolarHBondContact O-CB 3.07Å; P58-F61 PolarHBondContact O-N 3.33Å; P58-F62 WeakPolarHBondContact O-CD2 3.24Å; P58-F62 PolarHBondContact O-N 3.28Å; P58-D121 WeakPolarHBondContact CB-OD1 3.27Å; P58-M136 HydrophobicContact CB-CG 3.63Å; P58-M136 HydrophobicContact CB-SD 4.27Å; P58-M136 HydrophobicContact CG-CG 3.72Å; P58-S141 WeakPolarHBondContact CB-OG 3.29Å
59M89.5Confident85.7Confident14 Ų1444.5 Ų44.57%0.06923%0.229CC..Hα-helixtrans-61-45.1178.2-178.167.8178.400113.3T57 F61 F62 L63 M118 R122 H244 Y290T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 2.9Å; M59-F61 VanDerWaalsContact C-N 3.31Å; M59-F62 PolarHBondContact O-N 2.82Å; M59-L63 WeakPolarHBondContact O-CB 3.25Å; M59-L63 PolarHBondContact O-N 3.31Å; M59-M118 HydrophobicContact CE-CE 3.4Å; M59-M118 VanDerWaalsContact CE-CE 3.4Å; M59-M118 HydrophobicContact SD-CB 4.17Å; M59-M118 HydrophobicContact SD-CE 3.9Å; M59-M118 HydrophobicContact SD-CG 4.26Å; M59-R122 HydrophobicContact CE-CG 4.46Å; M59-R122 HydrophobicContact SD-CG 4.26Å; M59-H244 HydrophobicContact CE-CB 4.14Å; M59-Y290 HydrophobicContact CE-CE1 4.18Å
60Y87.4Confident85.9Confident17 Ų1744 Ų447%0.06723%0.225CC..Hα-helixtrans-72.9-27.9178.7-72.7-61.1000111.8V49 L55 T57 P58 L63 S64 N294 V297V49-Y60 HydrophobicContact CG2-CD1 4.4Å; L55-Y60 HydrophobicContact CB-CD2 3.97Å; L55-Y60 HydrophobicContact CB-CE2 4.44Å; L55-Y60 HydrophobicContact CB-CG 4.16Å; L55-Y60 HydrophobicContact CD2-CD1 4.5Å; L55-Y60 HydrophobicContact CD2-CD2 3.91Å; L55-Y60 HydrophobicContact CD2-CE1 4.13Å; L55-Y60 HydrophobicContact CD2-CE2 3.5Å; L55-Y60 VanDerWaalsContact CD2-CE2 3.5Å; L55-Y60 HydrophobicContact CD2-CG 4.43Å; L55-Y60 WeakPolarHBondContact O-CB 3.3Å; L55-Y60 WeakPolarHBondContact O-CD2 3.27Å; T57-Y60 HydrophobicContact CG2-CD2 4.41Å; T57-Y60 PolarHBondContact O-N 3.1Å; T57-Y60 VanDerWaalsContact O-N 3.1Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.43Å; P58-Y60 PolarHBondContact O-N 3.39Å; Y60-L63 HydrophobicContact CD1-CD2 4.01Å; Y60-L63 HydrophobicContact CE1-CD2 4.42Å; Y60-L63 PolarHBondContact O-N 2.81Å; Y60-S64 WeakPolarHBondContact O-CB 3.47Å; Y60-S64 PolarHBondContact O-N 2.99Å; Y60-N294 PolarHBondContact OH-ND2 3.26Å; Y60-N294 PolarHBondContact OH-OD1 3Å; Y60-V297 HydrophobicContact CE1-CG2 3.81Å
61F90.8Very high86.4Confident82 Ų8242 Ų4236%0.3621%0.21SC..Hα-helixtrans-62.6-46.5169.1174.3-100.6000111.7T57 P58 M59 S64 N65 A145T57-F61 PolarHBondContact O-N 3.08Å; P58-F61 WeakPolarHBondContact O-CB 3.07Å; P58-F61 PolarHBondContact O-N 3.33Å; M59-F61 VanDerWaalsContact C-N 3.31Å; F61-S64 WeakPolarHBondContact O-CB 3.33Å; F61-S64 PolarHBondContact O-N 3.36Å; F61-N65 PolarHBondContact O-N 2.87Å; F61-N65 VanDerWaalsContact O-N 3.14Å; F61-N65 PolarHBondContact O-ND2 3.43Å; F61-A145 HydrophobicContact CE1-CB 3.7Å; F61-A145 HydrophobicContact CZ-CB 4.26Å
62F91.9Very high86.9Confident0 Ų045 Ų450%021%0.212CC..Hα-helixtrans-63.5-40.9172.6-68.1-59000112.1P58 M59 S64 N65 L66 L114 A117 M118 D121 M136 S141 L144 A145P58-F62 WeakPolarHBondContact O-CD2 3.24Å; P58-F62 PolarHBondContact O-N 3.28Å; M59-F62 PolarHBondContact O-N 2.82Å; F62-S64 VanDerWaalsContact C-N 3.28Å; F62-S64 PolarHBondContact O-N 3.34Å; F62-N65 WeakPolarHBondContact O-CB 3.4Å; F62-N65 PolarHBondContact O-N 3.27Å; F62-N65 VanDerWaalsContact O-N 3.16Å; F62-L66 PolarHBondContact O-N 3.4Å; F62-L114 HydrophobicContact CD1-CD2 4.16Å; F62-A117 HydrophobicContact CD1-CB 4.35Å; F62-A117 HydrophobicContact CE1-CB 3.96Å; F62-A117 HydrophobicContact CZ-CB 4.09Å; F62-M118 HydrophobicContact CB-CG 3.47Å; F62-M118 VanDerWaalsContact CB-CG 3.47Å; F62-M118 HydrophobicContact CB-SD 4.11Å; F62-M118 HydrophobicContact CD2-CG 4.33Å; F62-M118 HydrophobicContact CG-CG 4.07Å; F62-D121 HydrophobicContact CE2-CB 4.36Å; F62-M136 HydrophobicContact CE2-SD 4.35Å; F62-S141 WeakPolarHBondContact CE1-O 3.43Å; F62-L144 HydrophobicContact CE1-CB 3.9Å; F62-L144 HydrophobicContact CZ-CB 3.86Å; F62-L144 HydrophobicContact CZ-CD1 4.04Å; F62-A145 HydrophobicContact CD1-CB 4.34Å; F62-A145 HydrophobicContact CE1-CB 4.16Å
63L89.9Confident87.2Confident7 Ų745 Ų454%0.03721%0.21CC..Hα-helixtrans-62.1-35.8176.6-175.264.8000112.4I45 M59 Y60 L66 S67 M118 Y290I45-L63 HydrophobicContact CG2-CD2 3.92Å; I45-L63 HydrophobicContact CG2-CG 3.93Å; M59-L63 WeakPolarHBondContact O-CB 3.25Å; M59-L63 PolarHBondContact O-N 3.31Å; Y60-L63 HydrophobicContact CD1-CD2 4.01Å; Y60-L63 HydrophobicContact CE1-CD2 4.42Å; Y60-L63 PolarHBondContact O-N 2.81Å; L63-L66 HydrophobicContact CD1-CD2 4.41Å; L63-L66 PolarHBondContact O-N 2.97Å; L63-S67 WeakPolarHBondContact O-CB 3.19Å; L63-S67 PolarHBondContact O-N 2.98Å; L63-S67 PolarHBondContact O-OG 3.49Å; L63-M118 HydrophobicContact CB-CE 4.48Å; L63-M118 HydrophobicContact CD1-CE 4.35Å; L63-Y290 HydrophobicContact CD1-CD1 3.93Å; L63-Y290 HydrophobicContact CD1-CD2 3.37Å; L63-Y290 HydrophobicContact CD1-CE1 4.24Å; L63-Y290 HydrophobicContact CD1-CE2 3.7Å; L63-Y290 HydrophobicContact CD1-CG 3.51Å; L63-Y290 HydrophobicContact CD2-CD1 4.41Å; L63-Y290 HydrophobicContact CD2-CG 4.16Å
64S90.9Very high87.8Confident16 Ų1637 Ų3711%0.11217%0.173CC..Hα-helixtrans-65.4-42.4174.3-170.60000111.6F46 Y60 F61 F62 S67 F68F46-S64 VanDerWaalsContact CD2-OG 3.23Å; F46-S64 WeakPolarHBondContact CD2-OG 3.28Å; Y60-S64 WeakPolarHBondContact O-CB 3.47Å; Y60-S64 PolarHBondContact O-N 2.99Å; F61-S64 WeakPolarHBondContact O-CB 3.33Å; F61-S64 PolarHBondContact O-N 3.36Å; F62-S64 VanDerWaalsContact C-N 3.28Å; F62-S64 PolarHBondContact O-N 3.34Å; S64-S67 PolarHBondContact O-N 2.9Å; S64-F68 PolarHBondContact O-N 2.93Å
65N93.8Very high88.6Confident32 Ų3233 Ų3317%0.17116%0.158CC..Hα-helixtrans-62.2-43.5173.1-80.3-91.7000111.8F61 F62 F68 L69 L114 W149F61-N65 PolarHBondContact O-N 2.87Å; F61-N65 VanDerWaalsContact O-N 3.14Å; F61-N65 PolarHBondContact O-ND2 3.43Å; F62-N65 WeakPolarHBondContact O-CB 3.4Å; F62-N65 PolarHBondContact O-N 3.27Å; F62-N65 VanDerWaalsContact O-N 3.16Å; N65-F68 PolarHBondContact O-N 2.93Å; N65-L69 WeakPolarHBondContact O-CB 3.43Å; N65-L69 PolarHBondContact O-N 2.94Å; N65-L114 HydrophobicContact CB-CD1 4.13Å; N65-L114 HydrophobicContact CB-CD2 4.29Å; N65-W149 PolarHBondContact OD1-NE1 3.3Å
66L91.1Very high89.2Confident2 Ų234 Ų341%0.0117%0.166CC..Hα-helixtrans-62.4-43.6175.9-17565.3000111F62 L63 F68 L69 E70 E111 L115 M118 Y290F62-L66 PolarHBondContact O-N 3.4Å; L63-L66 HydrophobicContact CD1-CD2 4.41Å; L63-L66 PolarHBondContact O-N 2.97Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.45Å; L66-L69 WeakPolarHBondContact O-CB 3Å; L66-L69 PolarHBondContact O-N 2.84Å; L66-E70 WeakPolarHBondContact O-CB 3.15Å; L66-E70 WeakPolarHBondContact O-CG 3.16Å; L66-E70 PolarHBondContact O-N 3.36Å; L66-E111 HydrophobicContact CD1-CB 4.48Å; L66-E111 HydrophobicContact CD1-CG 3.84Å; L66-L115 HydrophobicContact CD2-CD2 4.3Å; L66-M118 HydrophobicContact CD2-SD 4.2Å; L66-Y290 HydrophobicContact CD2-CE2 4.14Å
67S91.1Very high89.3Confident1 Ų128.1 Ų28.11%0.00714%0.14CC..Hα-helixtrans-63.2-41.3177.8-56.10000111.8I45 L63 S64 E70 I71I45-S67 WeakPolarHBondContact CG2-OG 3.45Å; L63-S67 WeakPolarHBondContact O-CB 3.19Å; L63-S67 PolarHBondContact O-N 2.98Å; L63-S67 PolarHBondContact O-OG 3.49Å; S64-S67 PolarHBondContact O-N 2.9Å; S67-E70 PolarHBondContact O-N 2.91Å; S67-I71 WeakPolarHBondContact O-CD1 3.42Å; S67-I71 WeakPolarHBondContact O-CG1 3.42Å; S67-I71 PolarHBondContact O-N 2.76Å
68F92.1Very high89.2Confident84 Ų8425.9 Ų25.937%0.36813%0.126SC..Hα-helixtrans-60.5-51173.1179.8-100.9000110.5S64 N65 L66 E70 I71 W72 W149S64-F68 PolarHBondContact O-N 2.93Å; N65-F68 PolarHBondContact O-N 2.93Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.45Å; F68-E70 VanDerWaalsContact C-N 3.3Å; F68-E70 PolarHBondContact O-N 2.91Å; F68-I71 WeakPolarHBondContact O-CB 3.21Å; F68-I71 PolarHBondContact O-N 3.3Å; F68-W72 AromaticContact CD1-CD1 3.86Å; F68-W72 AromaticContact CD2-NE1 3.7Å; F68-W72 AromaticContact CE1-CD1 3.62Å; F68-W72 AromaticContact CE1-NE1 3.47Å; F68-W72 AromaticContact CE2-CD1 3.8Å; F68-W72 AromaticContact CE2-NE1 3.07Å; F68-W72 AromaticContact CZ-CD1 3.62Å; F68-W72 AromaticContact CZ-CE2 3.79Å; F68-W72 HydrophobicContact CZ-CZ2 4.25Å; F68-W72 AromaticContact CZ-NE1 2.95Å; F68-W72 PolarHBondContact O-N 3.48Å; F68-W149 AromaticContact CD1-CH2 3.86Å; F68-W149 HydrophobicContact CD1-CH2 3.86Å; F68-W149 AromaticContact CD1-CZ2 3.82Å; F68-W149 HydrophobicContact CD1-CZ2 3.82Å; F68-W149 HydrophobicContact CE1-CH2 4.15Å; F68-W149 HydrophobicContact CE1-CZ2 4.36Å
69L93.1Very high89Confident0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-52.4-47.3177.1-176.5159.7000112.1N65 L66 I71 W72 Y73 L107 T110 E111 L114 W149N65-L69 WeakPolarHBondContact O-CB 3.43Å; N65-L69 PolarHBondContact O-N 2.94Å; L66-L69 WeakPolarHBondContact O-CB 3Å; L66-L69 PolarHBondContact O-N 2.84Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.47Å; L69-W72 PolarHBondContact O-N 3.41Å; L69-W72 VanDerWaalsContact O-N 3.15Å; L69-Y73 WeakPolarHBondContact O-CB 3.48Å; L69-Y73 PolarHBondContact O-N 3.1Å; L69-L107 WeakPolarHBondContact CD1-O 3.33Å; L69-L107 HydrophobicContact CD2-CB 4.19Å; L69-L107 HydrophobicContact CG-CB 4.23Å; L69-L107 HydrophobicContact CG-CD2 3.93Å; L69-T110 HydrophobicContact CD1-CG2 3.52Å; L69-E111 HydrophobicContact CD1-CB 4.13Å; L69-E111 HydrophobicContact CD2-CB 4.07Å; L69-L114 HydrophobicContact CD1-CD1 3.87Å; L69-W149 HydrophobicContact CB-CH2 3.85Å; L69-W149 HydrophobicContact CB-CZ2 3.99Å; L69-W149 HydrophobicContact CD1-CH2 4.31Å; L69-W149 HydrophobicContact CD1-CZ2 4.42Å; L69-W149 HydrophobicContact CG-CH2 4.15Å
70E88.1Confident88.7Confident0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-62.9-37.5-178.5-72.5-76.8-154.100113.4L66 S67 F68 Y73 T74 P283 N286L66-E70 WeakPolarHBondContact O-CB 3.15Å; L66-E70 WeakPolarHBondContact O-CG 3.16Å; L66-E70 PolarHBondContact O-N 3.36Å; S67-E70 PolarHBondContact O-N 2.91Å; F68-E70 VanDerWaalsContact C-N 3.3Å; F68-E70 PolarHBondContact O-N 2.91Å; E70-Y73 PolarHBondContact O-N 3.37Å; E70-T74 WeakPolarHBondContact O-CB 3.23Å; E70-T74 WeakPolarHBondContact O-CG2 3.49Å; E70-T74 PolarHBondContact O-N 2.63Å; E70-T74 PolarHBondContact O-OG1 3.43Å; E70-P283 WeakPolarHBondContact OE2-CB 3.22Å; E70-P283 WeakPolarHBondContact OE2-CG 3.13Å; E70-N286 PolarHBondContact OE1-ND2 2.85Å
71I90.4Very high88.4Confident23 Ų2327.6 Ų27.612%0.11814%0.137CC..Hα-helixtrans-61.1-46.8173.9-70.3159.1000110.3I39 N42 M43 S67 F68 L69 T74 T75I39-I71 HydrophobicContact CD1-CB 4.21Å; I39-I71 HydrophobicContact CD1-CG1 4.33Å; I39-I71 HydrophobicContact CD1-CG2 3.79Å; N42-I71 HydrophobicContact CB-CD1 3.97Å; N42-I71 HydrophobicContact CB-CG1 3.71Å; M43-I71 HydrophobicContact CG-CD1 3.73Å; M43-I71 HydrophobicContact CG-CG1 4.45Å; M43-I71 HydrophobicContact SD-CD1 3.52Å; M43-I71 VanDerWaalsContact SD-CD1 3.52Å; S67-I71 WeakPolarHBondContact O-CD1 3.42Å; S67-I71 WeakPolarHBondContact O-CG1 3.42Å; S67-I71 PolarHBondContact O-N 2.76Å; F68-I71 WeakPolarHBondContact O-CB 3.21Å; F68-I71 PolarHBondContact O-N 3.3Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 3.47Å; I71-T74 PolarHBondContact O-OG1 3.17Å; I71-T75 WeakPolarHBondContact O-CB 3.41Å; I71-T75 PolarHBondContact O-N 2.78Å; I71-T75 PolarHBondContact O-OG1 2.96Å
72W91.3Very high88Confident141 Ų14124.5 Ų24.553%0.53412%0.124SC..Hα-helixtrans-69.4-40.3179.1-74.992.1000112F68 L69 T75 A76 L107F68-W72 AromaticContact CD1-CD1 3.86Å; F68-W72 AromaticContact CD2-NE1 3.7Å; F68-W72 AromaticContact CE1-CD1 3.62Å; F68-W72 AromaticContact CE1-NE1 3.47Å; F68-W72 AromaticContact CE2-CD1 3.8Å; F68-W72 AromaticContact CE2-NE1 3.07Å; F68-W72 AromaticContact CZ-CD1 3.62Å; F68-W72 AromaticContact CZ-CE2 3.79Å; F68-W72 HydrophobicContact CZ-CZ2 4.25Å; F68-W72 AromaticContact CZ-NE1 2.95Å; F68-W72 PolarHBondContact O-N 3.48Å; L69-W72 PolarHBondContact O-N 3.41Å; L69-W72 VanDerWaalsContact O-N 3.15Å; W72-T75 PolarHBondContact O-N 3.03Å; W72-A76 VanDerWaalsContact O-CB 3.31Å; W72-A76 WeakPolarHBondContact O-CB 3.37Å; W72-A76 PolarHBondContact O-N 3.24Å; W72-L107 HydrophobicContact CB-CD1 3.89Å; W72-L107 HydrophobicContact CB-CD2 4.32Å
73Y86.5Confident87.6Confident16 Ų1626 Ų266%0.06314%0.136CC..Hα-helixtrans-61.4-52.5180-176.4-76.9000110.5L69 E70 T75 A76 A77 V104 L107 T279L69-Y73 WeakPolarHBondContact O-CB 3.48Å; L69-Y73 PolarHBondContact O-N 3.1Å; E70-Y73 PolarHBondContact O-N 3.37Å; Y73-T75 VanDerWaalsContact C-N 3.35Å; Y73-T75 PolarHBondContact O-N 2.96Å; Y73-A76 PolarHBondContact O-N 2.89Å; Y73-A77 PolarHBondContact O-N 3.2Å; Y73-A77 VanDerWaalsContact O-N 3.11Å; Y73-V104 HydrophobicContact CE2-CG1 3.85Å; Y73-V104 VanDerWaalsContact CE2-O 3.29Å; Y73-V104 WeakPolarHBondContact CE2-O 3.46Å; Y73-L107 HydrophobicContact CD2-CB 3.78Å; Y73-T279 HydrophobicContact CE1-CG2 3.72Å; Y73-T279 WeakPolarHBondContact OH-CG2 3.46Å
74T86.1Confident87.1Confident2 Ų226.2 Ų26.21%0.01214%0.137CC..Hα-helixtrans-65.2-38.2178.752.90000112E70 I71 A76 A77 V78 P283E70-T74 WeakPolarHBondContact O-CB 3.23Å; E70-T74 WeakPolarHBondContact O-CG2 3.49Å; E70-T74 PolarHBondContact O-N 2.63Å; E70-T74 PolarHBondContact O-OG1 3.43Å; I71-T74 PolarHBondContact O-OG1 3.17Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A77 PolarHBondContact O-N 3.49Å; T74-V78 VanDerWaalsContact O-CB 3.27Å; T74-V78 WeakPolarHBondContact O-CB 3.46Å; T74-V78 WeakPolarHBondContact O-CG2 3.47Å; T74-V78 PolarHBondContact O-N 2.86Å; T74-P283 HydrophobicContact CG2-CB 3.6Å; T74-P283 HydrophobicContact CG2-CG 3.88Å
75T89.3Confident86.6Confident56 Ų5626 Ų2634%0.34414%0.135SC..Hα-helixtrans-69.2-30.3176.4-59.20000112.8Y35 I39 I71 W72 Y73 P79Y35-T75 PolarHBondContact OH-OG1 3.36Å; I39-T75 WeakPolarHBondContact CD1-OG1 3.32Å; I71-T75 WeakPolarHBondContact O-CB 3.41Å; I71-T75 PolarHBondContact O-N 2.78Å; I71-T75 PolarHBondContact O-OG1 2.96Å; W72-T75 PolarHBondContact O-N 3.03Å; Y73-T75 VanDerWaalsContact C-N 3.35Å; Y73-T75 PolarHBondContact O-N 2.96Å; T75-P79 WeakPolarHBondContact O-CD 3.39Å; T75-P79 WeakPolarHBondContact O-CG 3.28Å
76A87.3Confident85.9Confident23 Ų2328.1 Ų28.119%0.1915%0.149CC..Hα-helixtrans-72.7-38.3174.700000112W72 Y73 T74 Q100 L103 V104W72-A76 VanDerWaalsContact O-CB 3.31Å; W72-A76 WeakPolarHBondContact O-CB 3.37Å; W72-A76 PolarHBondContact O-N 3.24Å; Y73-A76 PolarHBondContact O-N 2.89Å; T74-A76 VanDerWaalsContact C-N 3.35Å; A76-Q100 WeakPolarHBondContact O-CG 3.32Å; A76-Q100 PolarHBondContact O-NE2 2.93Å; A76-L103 HydrophobicContact CB-CB 4.3Å; A76-V104 HydrophobicContact CB-CG2 3.89Å
77A80.8Confident84.9Confident1 Ų130.8 Ų30.81%0.00818%0.177CC..Hα-helixtrans-88.5-48.4-174.400000114.2Y73 T74 V104Y73-A77 PolarHBondContact O-N 3.2Å; Y73-A77 VanDerWaalsContact O-N 3.11Å; T74-A77 PolarHBondContact O-N 3.49Å; A77-V104 HydrophobicContact CB-CG2 4.1Å
78V83.5Confident83.8Confident4 Ų441.2 Ų41.22%0.02422%0.216CC..Hα-helixtrans-79-40.6-161.9-178.80000115.1F31 Y35 T74 K80 A81 L82 V280F31-V78 HydrophobicContact CB-CG1 4.39Å; F31-V78 HydrophobicContact CD1-CG1 4.25Å; Y35-V78 HydrophobicContact CD2-CB 4.05Å; Y35-V78 HydrophobicContact CD2-CG1 4.19Å; Y35-V78 HydrophobicContact CG-CG1 4.24Å; T74-V78 VanDerWaalsContact O-CB 3.27Å; T74-V78 WeakPolarHBondContact O-CB 3.46Å; T74-V78 WeakPolarHBondContact O-CG2 3.47Å; T74-V78 PolarHBondContact O-N 2.86Å; V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.3Å; V78-A81 WeakPolarHBondContact O-CB 3.5Å; V78-A81 PolarHBondContact O-N 3.19Å; V78-A81 VanDerWaalsContact O-N 3.11Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 3.99Å; V78-L82 PolarHBondContact O-N 2.87Å; V78-V280 HydrophobicContact CG2-CG2 4.49Å
79P84.6Confident82.7Confident51 Ų5139.4 Ų39.433%0.33121%0.214SC..Hα-helixtrans-58.5-37.5-176.2-28.937.7000114T75 L82 A83T75-P79 WeakPolarHBondContact O-CD 3.39Å; T75-P79 WeakPolarHBondContact O-CG 3.28Å; P79-L82 PolarHBondContact O-N 3.32Å; P79-A83 PolarHBondContact O-N 2.98Å
80K83.3Confident81.8Confident37 Ų3743.8 Ų43.816%0.16123%0.234CC..Hα-helixtrans-68.7-41.6177.4-17355170171.90111.6L14 V78 L82 A83 I84 S89 T91 I92L14-K80 HydrophobicContact CD1-CG 3.91Å; V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.3Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 2.91Å; K80-A83 PolarHBondContact O-N 3.47Å; K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.36Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.37Å; K80-I84 PolarHBondContact O-N 3.01Å; K80-S89 PolarHBondContact NZ-O 2.86Å; K80-S89 PolarHBondContact NZ-OG 2.87Å; K80-S89 VanDerWaalsContact NZ-OG 3.1Å; K80-T91 PolarHBondContact NZ-O 3.01Å; K80-I92 HydrophobicContact CG-CD1 4.45Å
81A79.9Confident81.3Confident2 Ų247.2 Ų47.22%0.01726%0.255CS..Hα-helixtrans-59.7-42.7174.400000111.8F31 V78 A83 I84 L85 F177F31-A81 HydrophobicContact CD1-CB 4.24Å; F31-A81 HydrophobicContact CE1-CB 4.21Å; V78-A81 WeakPolarHBondContact O-CB 3.5Å; V78-A81 PolarHBondContact O-N 3.19Å; V78-A81 VanDerWaalsContact O-N 3.11Å; A81-A83 PolarHBondContact O-N 3.49Å; A81-I84 PolarHBondContact O-N 2.85Å; A81-L85 WeakPolarHBondContact O-CG 3.48Å; A81-L85 PolarHBondContact O-N 3.19Å; A81-F177 HydrophobicContact CB-CB 4.27Å; A81-F177 HydrophobicContact CB-CD2 3.98Å
82L83.2Confident80.9Confident17 Ų1747 Ų479%0.08925%0.254CS..Hα-helixtrans-61.1-42.7174.7-71.5173.6000112.3F28 F31 L32 V78 P79 K80 I84 L85 V86F28-L82 HydrophobicContact CD2-CB 4.25Å; F28-L82 HydrophobicContact CD2-CD2 3.55Å; F28-L82 HydrophobicContact CE2-CB 4.02Å; F28-L82 HydrophobicContact CE2-CD2 3.74Å; F28-L82 HydrophobicContact CE2-CG 4.43Å; F28-L82 HydrophobicContact CG-CD2 4.35Å; F28-L82 WeakPolarHBondContact O-CD2 3.2Å; F31-L82 HydrophobicContact CB-CD2 3.55Å; F31-L82 HydrophobicContact CB-CG 4.32Å; L32-L82 HydrophobicContact CB-CD2 4.08Å; L32-L82 HydrophobicContact CD1-CD1 4.21Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 3.99Å; V78-L82 PolarHBondContact O-N 2.87Å; P79-L82 PolarHBondContact O-N 3.32Å; K80-L82 VanDerWaalsContact C-N 3.33Å; K80-L82 PolarHBondContact O-N 2.91Å; L82-I84 VanDerWaalsContact C-N 3.31Å; L82-I84 PolarHBondContact O-N 3.19Å; L82-L85 PolarHBondContact O-N 3.44Å; L82-V86 PolarHBondContact O-N 3.34Å
83A82.9Confident80.6Confident32 Ų3242.4 Ų42.426%0.26424%0.244SC..Hα-helixtrans-64.9-34.4177.900000113P79 K80 A81 R88P79-A83 PolarHBondContact O-N 2.98Å; K80-A83 PolarHBondContact O-N 3.47Å; A81-A83 PolarHBondContact O-N 3.49Å; A83-R88 PolarHBondContact O-N 3.42Å; A83-R88 VanDerWaalsContact O-N 3.14Å
84I80.3Confident80.3Confident10 Ų1044.1 Ų44.15%0.05125%0.251CS..Hα-helixtrans-67.9-45174.7-67.6158.1000110.5L14 K80 A81 L82 V86 G87 Q90L14-I84 HydrophobicContact CB-CD1 3.4Å; L14-I84 VanDerWaalsContact CB-CD1 3.4Å; L14-I84 HydrophobicContact CB-CG1 4.3Å; L14-I84 HydrophobicContact CD1-CD1 3.74Å; L14-I84 HydrophobicContact CG-CD1 4.19Å; K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.36Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.37Å; K80-I84 PolarHBondContact O-N 3.01Å; A81-I84 PolarHBondContact O-N 2.85Å; L82-I84 VanDerWaalsContact C-N 3.31Å; L82-I84 PolarHBondContact O-N 3.19Å; I84-V86 VanDerWaalsContact C-N 3.27Å; I84-V86 PolarHBondContact O-N 3.33Å; I84-G87 PolarHBondContact O-N 3.41Å; I84-Q90 HydrophobicContact CG2-CG 4.44Å
85L79.1Confident80.1Confident13 Ų1347.8 Ų47.87%0.06828%0.277CS..Hα-helixtrans-65-26.2-178.2-72.3166.3000113.8F17 Q24 L27 F28 A81 L82 G87F17-L85 HydrophobicContact CD2-CD2 4.26Å; Q24-L85 HydrophobicContact CB-CD2 4.38Å; L27-L85 HydrophobicContact CB-CD1 4.14Å; L27-L85 HydrophobicContact CB-CD2 3.99Å; L27-L85 HydrophobicContact CD1-CD2 4.4Å; F28-L85 HydrophobicContact CB-CB 4.03Å; F28-L85 HydrophobicContact CB-CD1 4.4Å; F28-L85 HydrophobicContact CD2-CB 4.31Å; A81-L85 WeakPolarHBondContact O-CG 3.48Å; A81-L85 PolarHBondContact O-N 3.19Å; L82-L85 PolarHBondContact O-N 3.44Å; L85-G87 VanDerWaalsContact C-N 3.33Å
86V80.2Confident79.9Confident76 Ų7646.3 Ų46.346%0.46127%0.273SS..THydrogen-bonded Turntrans-90.21.2175-175.60000112F28 L82 I84 R88F28-V86 HydrophobicContact CD1-CG2 4.34Å; F28-V86 HydrophobicContact CD2-CG2 3.24Å; F28-V86 HydrophobicContact CE1-CG2 4.3Å; F28-V86 HydrophobicContact CE2-CG2 3.18Å; F28-V86 HydrophobicContact CG-CG2 3.84Å; F28-V86 HydrophobicContact CZ-CG2 3.75Å; L82-V86 PolarHBondContact O-N 3.34Å; I84-V86 VanDerWaalsContact C-N 3.27Å; I84-V86 PolarHBondContact O-N 3.33Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 HydrophobicContact CG1-CG 4.47Å; V86-R88 PolarHBondContact O-N 2.98Å
87G70.7Confident79.8Confident58 Ų5845.2 Ų45.260%0.59826%0.264SS*.THydrogen-bonded Turntrans71.316.817800000114.7I84 L85I84-G87 PolarHBondContact O-N 3.41Å; L85-G87 VanDerWaalsContact C-N 3.33Å
88R67.3Low80Confident219 Ų21946.4 Ų46.483%0.82627%0.27SS*.SBendtrans-84.6-38.6-175-88.8-170.7170178.6-1.8114.6A83 V86A83-R88 PolarHBondContact O-N 3.42Å; A83-R88 VanDerWaalsContact O-N 3.14Å; V86-R88 VanDerWaalsContact C-N 3.28Å; V86-R88 HydrophobicContact CG1-CG 4.47Å; V86-R88 PolarHBondContact O-N 2.98Å
89S68.8Low80.3Confident47 Ų4751 Ų5133%0.32929%0.294SS..  trans-157.491.4-176174.60000111.1K80 T91K80-S89 PolarHBondContact NZ-O 2.86Å; K80-S89 PolarHBondContact NZ-OG 2.87Å; K80-S89 VanDerWaalsContact NZ-OG 3.1Å; S89-T91 VanDerWaalsContact C-N 3.34Å; S89-T91 PolarHBondContact OG-O 3.39Å
90Q74.3Confident80.5Confident91 Ų9149.3 Ų49.343%0.42528%0.282SS..  trans-79.7-19.7174.3-64.3-179.9-19.500112.4I13 L14 I84I13-Q90 WeakPolarHBondContact CA-O 3.37Å; I13-Q90 HydrophobicContact CG2-CB 4.02Å; L14-Q90 PolarHBondContact N-O 3.48Å; I84-Q90 HydrophobicContact CG2-CG 4.44Å
91T77.4Confident80.7Confident72 Ų7247.5 Ų47.544%0.44227%0.274SS..EExtended strand (participates in β ladder)trans-82.7138.3-179.252.30000112.2F12 I13 K80 S89F12-T91 CarbonylContact O-C 3.42Å; F12-T91 WeakPolarHBondContact O-CA 3.38Å; I13-T91 HydrophobicContact CG1-CG2 4.2Å; K80-T91 PolarHBondContact NZ-O 3.01Å; S89-T91 VanDerWaalsContact C-N 3.34Å; S89-T91 PolarHBondContact OG-O 3.39Å
92I81.9Confident81.2Confident19 Ų1950.1 Ų50.110%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-135.1136.2172.2-169.2166.3000108.4F12 L14 K80 C97F12-I92 HydrophobicContact CB-CG2 4.05Å; F12-I92 PolarHBondContact N-O 2.85Å; F12-I92 PolarHBondContact O-N 3.37Å; L14-I92 HydrophobicContact CD1-CB 4.23Å; L14-I92 HydrophobicContact CD1-CD1 4.35Å; L14-I92 HydrophobicContact CD1-CG2 3.78Å; L14-I92 HydrophobicContact CG-CG2 4.05Å; K80-I92 HydrophobicContact CG-CD1 4.45Å; I92-C97 HydrophobicContact CD1-CB 4.09Å; I92-C97 HydrophobicContact CG1-CB 4.18Å; I92-C97 HydrophobicContact CG2-CB 4.01Å
93S84.4Confident81.6Confident45 Ų4551.8 Ų51.832%0.31529%0.292SS..EExtended strand (participates in β ladder)trans-67.8152.7175.765.40000110.6D11 S95 G96 C97D11-S93 WeakPolarHBondContact OD1-CA 3.4Å; S93-S95 VanDerWaalsContact C-N 3.26Å; S93-S95 PolarHBondContact O-N 2.97Å; S93-S95 PolarHBondContact OG-OG 3.44Å; S93-G96 PolarHBondContact O-N 3.42Å; S93-G96 VanDerWaalsContact O-N 3.12Å; S93-G96 PolarHBondContact OG-N 2.96Å; S93-G96 VanDerWaalsContact OG-N 3.08Å; S93-C97 WeakPolarHBondContact O-CB 3.32Å; S93-C97 PolarHBondContact O-N 3.42Å
94F80.8Confident81.8Confident51 Ų5150.4 Ų50.422%0.22428%0.281CS..Hα-helixtrans-45.4-51.2170.9177.1-99.9000112.5Q10 F12 G96 C97 L98 F168 W184Q10-F94 PolarHBondContact O-N 3.03Å; Q10-F94 VanDerWaalsContact O-N 3.13Å; F12-F94 HydrophobicContact CE2-CB 3.97Å; F12-F94 AromaticContact CE2-CD2 3.77Å; F12-F94 HydrophobicContact CE2-CD2 3.77Å; F12-F94 HydrophobicContact CE2-CG 4.38Å; F12-F94 HydrophobicContact CZ-CD2 4.25Å; F94-G96 PolarHBondContact O-N 3.23Å; F94-C97 PolarHBondContact O-N 3.21Å; F94-L98 HydrophobicContact CE1-CD2 4.13Å; F94-L98 HydrophobicContact CZ-CD2 4.36Å; F94-L98 WeakPolarHBondContact O-CB 3.2Å; F94-L98 PolarHBondContact O-N 3.38Å; F94-F168 HydrophobicContact CD2-CE2 4.2Å; F94-F168 HydrophobicContact CE2-CD2 4.37Å; F94-F168 AromaticContact CE2-CE2 3.5Å; F94-F168 HydrophobicContact CE2-CE2 3.5Å; F94-F168 HydrophobicContact CE2-CZ 4.09Å; F94-F168 HydrophobicContact CZ-CE2 4.33Å; F94-W184 AromaticContact CD2-CH2 3.23Å; F94-W184 HydrophobicContact CD2-CH2 3.23Å; F94-W184 HydrophobicContact CD2-CZ2 4.43Å; F94-W184 AromaticContact CD2-CZ3 3.49Å; F94-W184 HydrophobicContact CD2-CZ3 3.49Å; F94-W184 VanDerWaalsContact CD2-CZ3 3.49Å; F94-W184 HydrophobicContact CE2-CE3 4.43Å; F94-W184 AromaticContact CE2-CH2 3.33Å; F94-W184 HydrophobicContact CE2-CH2 3.33Å; F94-W184 HydrophobicContact CE2-CZ2 4.4Å; F94-W184 AromaticContact CE2-CZ3 3.35Å; F94-W184 HydrophobicContact CE2-CZ3 3.35Å; F94-W184 HydrophobicContact CG-CH2 4.26Å; F94-W184 HydrophobicContact CZ-CH2 4.46Å
95S83.3Confident82.1Confident80 Ų8052.6 Ų52.656%0.55929%0.29SS*.Hα-helixtrans-65.7-38.7-178.954.90000113.1S93 C97 L99S93-S95 VanDerWaalsContact C-N 3.26Å; S93-S95 PolarHBondContact O-N 2.97Å; S93-S95 PolarHBondContact OG-OG 3.44Å; S95-C97 VanDerWaalsContact C-N 3.34Å; S95-L99 VanDerWaalsContact O-CB 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 PolarHBondContact O-N 3.04Å
96G84.8Confident82.8Confident25 Ų2552 Ų5226%0.25829%0.287SS..Hα-helixtrans-66.3-38.7175.600000112S93 F94 Q100S93-G96 PolarHBondContact O-N 3.42Å; S93-G96 VanDerWaalsContact O-N 3.12Å; S93-G96 PolarHBondContact OG-N 2.96Å; S93-G96 VanDerWaalsContact OG-N 3.08Å; F94-G96 PolarHBondContact O-N 3.23Å; G96-Q100 WeakPolarHBondContact O-CB 3.35Å; G96-Q100 PolarHBondContact O-N 3.13Å
97C83.6Confident83.3Confident0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-69.4-43.9177.9-167.60000111.9I92 S93 F94 S95 Q100 M101 C179 W184I92-C97 HydrophobicContact CD1-CB 4.09Å; I92-C97 HydrophobicContact CG1-CB 4.18Å; I92-C97 HydrophobicContact CG2-CB 4.01Å; S93-C97 WeakPolarHBondContact O-CB 3.32Å; S93-C97 PolarHBondContact O-N 3.42Å; F94-C97 PolarHBondContact O-N 3.21Å; S95-C97 VanDerWaalsContact C-N 3.34Å; C97-Q100 PolarHBondContact O-N 3.36Å; C97-M101 WeakPolarHBondContact O-CB 3.46Å; C97-M101 PolarHBondContact O-N 3.14Å; C97-C179 WeakPolarHBondContact CA-SG 3.19Å; C97-C179 HydrophobicContact CB-CB 4.01Å; C97-C179 WeakPolarHBondContact CB-SG 3.27Å; C97-C179 VanDerWaalsContact O-CB 3.23Å; C97-C179 WeakPolarHBondContact O-CB 3.24Å; C97-C179 WeakPolarHBondContact SG-CB 3.41Å; C97-C179 CovalentContact SG-SG 2.01Å; C97-C179 PolarHBondContact SG-SG 2.84Å; C97-W184 HydrophobicContact CB-CH2 4.41Å; C97-W184 HydrophobicContact CB-CZ2 3.84Å; C97-W184 WeakPolarHBondContact SG-CZ2 3.45Å
98L86.1Confident84.1Confident25 Ų2546.3 Ų46.313%0.13124%0.243CC..Hα-helixtrans-62.7-42.2175.4-169.968.2000111.7F94 M101 Y102 T160 I163F94-L98 HydrophobicContact CE1-CD2 4.13Å; F94-L98 HydrophobicContact CZ-CD2 4.36Å; F94-L98 WeakPolarHBondContact O-CB 3.2Å; F94-L98 PolarHBondContact O-N 3.38Å; L98-M101 PolarHBondContact O-N 2.92Å; L98-Y102 WeakPolarHBondContact O-CB 3.34Å; L98-Y102 PolarHBondContact O-N 2.8Å; L98-T160 HydrophobicContact CD1-CG2 3.78Å; L98-T160 HydrophobicContact CD2-CG2 4.16Å; L98-T160 HydrophobicContact CG-CG2 3.8Å; L98-I163 HydrophobicContact CD1-CB 4.28Å; L98-I163 HydrophobicContact CD1-CG2 3.83Å
99L89.6Confident85.2Confident100 Ų10036.5 Ų36.552%0.52421%0.208SC..Hα-helixtrans-65.9-43.8176-179.662.4000111.9S95 M101 Y102 L103S95-L99 VanDerWaalsContact O-CB 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 PolarHBondContact O-N 3.04Å; L99-M101 VanDerWaalsContact C-N 3.35Å; L99-M101 PolarHBondContact O-N 3.37Å; L99-Y102 PolarHBondContact O-N 3.12Å; L99-L103 HydrophobicContact CD1-CD1 4.08Å; L99-L103 HydrophobicContact CD1-CG 4.15Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CG 3.4Å; L99-L103 PolarHBondContact O-N 3.4Å
100Q88.4Confident86.4Confident16 Ų1634.3 Ų34.38%0.07519%0.192CC..Hα-helixtrans-58.6-48.5176.3-177.6-179.954.400110.8A76 G96 C97 L103 V104 C179A76-Q100 WeakPolarHBondContact O-CG 3.32Å; A76-Q100 PolarHBondContact O-NE2 2.93Å; G96-Q100 WeakPolarHBondContact O-CB 3.35Å; G96-Q100 PolarHBondContact O-N 3.13Å; C97-Q100 PolarHBondContact O-N 3.36Å; Q100-L103 PolarHBondContact O-N 2.91Å; Q100-V104 HydrophobicContact CG-CG2 4.39Å; Q100-V104 WeakPolarHBondContact O-CB 3.25Å; Q100-V104 VanDerWaalsContact O-CG2 3.28Å; Q100-V104 WeakPolarHBondContact O-CG2 3.33Å; Q100-V104 PolarHBondContact O-N 3.48Å; Q100-C179 HydrophobicContact CB-CB 4.49Å
101M87.2Confident87.2Confident0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-58.7-51.6177.1-173.4-141.279.200110.9C97 L98 L99 L103 V104 F105 I156 T160 I163 C179 I181C97-M101 WeakPolarHBondContact O-CB 3.46Å; C97-M101 PolarHBondContact O-N 3.14Å; L98-M101 PolarHBondContact O-N 2.92Å; L99-M101 VanDerWaalsContact C-N 3.35Å; L99-M101 PolarHBondContact O-N 3.37Å; M101-L103 VanDerWaalsContact C-N 3.35Å; M101-L103 PolarHBondContact O-N 3.1Å; M101-V104 PolarHBondContact O-N 2.89Å; M101-F105 HydrophobicContact CG-CD2 3.68Å; M101-F105 HydrophobicContact CG-CE2 3.87Å; M101-F105 WeakPolarHBondContact O-CB 3.41Å; M101-F105 VanDerWaalsContact O-CD2 3.31Å; M101-F105 WeakPolarHBondContact O-CD2 3.46Å; M101-F105 PolarHBondContact O-N 3.24Å; M101-I156 HydrophobicContact CE-CG2 4.13Å; M101-T160 WeakPolarHBondContact CE-OG1 3.23Å; M101-I163 HydrophobicContact CE-CD1 4.19Å; M101-I163 HydrophobicContact SD-CD1 3.62Å; M101-C179 HydrophobicContact CB-CB 4.31Å; M101-C179 WeakPolarHBondContact CB-O 3.02Å; M101-I181 HydrophobicContact CG-CG1 4.23Å; M101-I181 HydrophobicContact SD-CG1 3.73Å
102Y90.3Very high87.8Confident56 Ų5627.6 Ų27.622%0.2216%0.155CC..Hα-helixtrans-54.1-50.5179.7175.6-106.6000111.8L98 L99 S106 F153 I156 T160L98-Y102 WeakPolarHBondContact O-CB 3.34Å; L98-Y102 PolarHBondContact O-N 2.8Å; L99-Y102 PolarHBondContact O-N 3.12Å; Y102-S106 WeakPolarHBondContact O-CB 3.26Å; Y102-S106 PolarHBondContact O-N 3.26Å; Y102-S106 PolarHBondContact O-OG 2.83Å; Y102-S106 VanDerWaalsContact O-OG 3.11Å; Y102-F153 HydrophobicContact CE1-CD1 4.01Å; Y102-F153 HydrophobicContact CE1-CE1 4.26Å; Y102-F153 AromaticContact CZ-CD1 3.97Å; Y102-F153 WeakPolarHBondContact OH-CD1 3.33Å; Y102-F153 PolarHBondContact OH-O 3.43Å; Y102-I156 HydrophobicContact CD2-CB 4.21Å; Y102-I156 HydrophobicContact CD2-CG2 3.86Å; Y102-I156 HydrophobicContact CE2-CB 4.31Å; Y102-I156 HydrophobicContact CE2-CG2 4.46Å; Y102-T160 HydrophobicContact CD2-CG2 4.35Å; Y102-T160 WeakPolarHBondContact CD2-OG1 3.35Å
103L91.8Very high88.3Confident52 Ų5228.7 Ų28.727%0.27216%0.159SC..Hα-helixtrans-63.2-49.4-179.2-69.8174000112.1A76 L99 Q100 M101 F105 S106 L107 F153A76-L103 HydrophobicContact CB-CB 4.3Å; L99-L103 HydrophobicContact CD1-CD1 4.08Å; L99-L103 HydrophobicContact CD1-CG 4.15Å; L99-L103 HydrophobicContact CG-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CG 3.4Å; L99-L103 PolarHBondContact O-N 3.4Å; Q100-L103 PolarHBondContact O-N 2.91Å; M101-L103 VanDerWaalsContact C-N 3.35Å; M101-L103 PolarHBondContact O-N 3.1Å; L103-F105 PolarHBondContact O-N 3.35Å; L103-S106 PolarHBondContact O-N 2.69Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 VanDerWaalsContact O-CD1 3.31Å; L103-L107 WeakPolarHBondContact O-CD1 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.23Å; L103-L107 PolarHBondContact O-N 3.35Å; L103-F153 HydrophobicContact CD2-CE1 4.47Å
104V87.9Confident88.7Confident4 Ų426.6 Ų26.62%0.02414%0.144CC..Hα-helixtrans-60.8-47.2-177.9169.80000111Y73 A76 A77 Q100 M101 G108 F178Y73-V104 HydrophobicContact CE2-CG1 3.85Å; Y73-V104 VanDerWaalsContact CE2-O 3.29Å; Y73-V104 WeakPolarHBondContact CE2-O 3.46Å; A76-V104 HydrophobicContact CB-CG2 3.89Å; A77-V104 HydrophobicContact CB-CG2 4.1Å; Q100-V104 HydrophobicContact CG-CG2 4.39Å; Q100-V104 WeakPolarHBondContact O-CB 3.25Å; Q100-V104 VanDerWaalsContact O-CG2 3.28Å; Q100-V104 WeakPolarHBondContact O-CG2 3.33Å; Q100-V104 PolarHBondContact O-N 3.48Å; M101-V104 PolarHBondContact O-N 2.89Å; V104-G108 PolarHBondContact O-N 2.85Å; V104-F178 HydrophobicContact CG1-CE2 4.49Å
105F87.2Confident89.2Confident55 Ų5524.1 Ų24.124%0.24113%0.133CC..Hα-helixtrans-70.6-40.4-179.3-83-88.3000112.5M101 L103 G108 C109 I156 D180 I181M101-F105 HydrophobicContact CG-CD2 3.68Å; M101-F105 HydrophobicContact CG-CE2 3.87Å; M101-F105 WeakPolarHBondContact O-CB 3.41Å; M101-F105 VanDerWaalsContact O-CD2 3.31Å; M101-F105 WeakPolarHBondContact O-CD2 3.46Å; M101-F105 PolarHBondContact O-N 3.24Å; L103-F105 PolarHBondContact O-N 3.35Å; F105-G108 PolarHBondContact O-N 3.33Å; F105-C109 PolarHBondContact O-N 3.33Å; F105-C109 PolarHBondContact O-SG 3.4Å; F105-I156 HydrophobicContact CB-CD1 3.89Å; F105-I156 HydrophobicContact CB-CG1 3.83Å; F105-I156 HydrophobicContact CB-CG2 3.87Å; F105-D180 WeakPolarHBondContact CZ-OD1 3.2Å; F105-I181 HydrophobicContact CD1-CD1 4.24Å; F105-I181 HydrophobicContact CE1-CD1 3.92Å; F105-I181 HydrophobicContact CE1-CG1 4.48Å; F105-I181 HydrophobicContact CE2-CD1 4.22Å; F105-I181 HydrophobicContact CE2-CG1 4Å; F105-I181 HydrophobicContact CZ-CD1 3.9Å; F105-I181 HydrophobicContact CZ-CG1 3.95Å
106S92.3Very high89.6Confident0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-63-43.8177.5-75.80000111.8Y102 L103 C109 T110 G152 I156Y102-S106 WeakPolarHBondContact O-CB 3.26Å; Y102-S106 PolarHBondContact O-N 3.26Å; Y102-S106 PolarHBondContact O-OG 2.83Å; Y102-S106 VanDerWaalsContact O-OG 3.11Å; L103-S106 PolarHBondContact O-N 2.69Å; S106-C109 PolarHBondContact O-N 3.11Å; S106-T110 PolarHBondContact O-N 2.98Å; S106-T110 PolarHBondContact O-OG1 3.38Å; S106-G152 PolarHBondContact OG-O 3.44Å; S106-I156 WeakPolarHBondContact OG-CB 3.4Å
107L92Very high90.1Very high6 Ų619.7 Ų19.73%0.03110%0.099CC..Hα-helixtrans-63.3-42.8175.5-67.7166.3000110.8L69 W72 Y73 L103 C109 T110 E111 W149 F153L69-L107 WeakPolarHBondContact CD1-O 3.33Å; L69-L107 HydrophobicContact CD2-CB 4.19Å; L69-L107 HydrophobicContact CG-CB 4.23Å; L69-L107 HydrophobicContact CG-CD2 3.93Å; W72-L107 HydrophobicContact CB-CD1 3.89Å; W72-L107 HydrophobicContact CB-CD2 4.32Å; Y73-L107 HydrophobicContact CD2-CB 3.78Å; L103-L107 VanDerWaalsContact O-CB 3.29Å; L103-L107 WeakPolarHBondContact O-CB 3.46Å; L103-L107 VanDerWaalsContact O-CD1 3.31Å; L103-L107 WeakPolarHBondContact O-CD1 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.23Å; L103-L107 PolarHBondContact O-N 3.35Å; L107-C109 PolarHBondContact O-N 2.97Å; L107-T110 PolarHBondContact O-N 3.39Å; L107-E111 PolarHBondContact O-N 3.02Å; L107-W149 HydrophobicContact CD2-CH2 3.84Å; L107-W149 HydrophobicContact CD2-CZ3 3.56Å; L107-F153 HydrophobicContact CD2-CE2 4.39Å; L107-F153 HydrophobicContact CD2-CZ 4.43Å
108G87.6Confident90.6Very high10 Ų1019.7 Ų19.710%0.10310%0.099CC..Hα-helixtrans-59.3-42.2173.900000113.2V104 F105 E111 Y112V104-G108 PolarHBondContact O-N 2.85Å; F105-G108 PolarHBondContact O-N 3.33Å; G108-E111 WeakPolarHBondContact O-CB 3.36Å; G108-E111 PolarHBondContact O-N 3.47Å; G108-Y112 WeakPolarHBondContact O-CD2 3.29Å; G108-Y112 PolarHBondContact O-N 3.36Å
109C90.3Very high90.8Very high13 Ų1318.5 Ų18.59%0.0889%0.093CC..Hα-helixtrans-63.7-44174.1-71.70000112.3F105 S106 L107 E111 Y112 F113 V206F105-C109 PolarHBondContact O-N 3.33Å; F105-C109 PolarHBondContact O-SG 3.4Å; S106-C109 PolarHBondContact O-N 3.11Å; L107-C109 PolarHBondContact O-N 2.97Å; C109-E111 VanDerWaalsContact C-N 3.26Å; C109-E111 PolarHBondContact O-N 2.82Å; C109-Y112 PolarHBondContact O-N 3.37Å; C109-F113 VanDerWaalsContact O-CD2 3.25Å; C109-F113 WeakPolarHBondContact O-CD2 3.22Å; C109-F113 PolarHBondContact O-N 3.45Å; C109-V206 HydrophobicContact CB-CG1 4.26Å
110T94.2Very high91.1Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-61.2-36.5176.3-65.10000111.7L69 S106 L107 F113 L114 S148 W149L69-T110 HydrophobicContact CD1-CG2 3.52Å; S106-T110 PolarHBondContact O-N 2.98Å; S106-T110 PolarHBondContact O-OG1 3.38Å; L107-T110 PolarHBondContact O-N 3.39Å; T110-F113 PolarHBondContact O-N 3.08Å; T110-L114 HydrophobicContact CG2-CD1 3.96Å; T110-L114 HydrophobicContact CG2-CG 4.18Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.25Å; T110-S148 PolarHBondContact OG1-O 2.89Å; T110-S148 VanDerWaalsContact OG1-O 3.08Å; T110-W149 HydrophobicContact CG2-CD2 3.77Å; T110-W149 HydrophobicContact CG2-CE3 4.01Å; T110-W149 HydrophobicContact CG2-CG 4.04Å; T110-W149 HydrophobicContact CG2-CZ3 4.5Å
111E90.8Very high91.3Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-60.5-45.9176.4177.3167.9-178.500112.2L66 L69 L107 G108 C109 F113 L114 L115 W251L66-E111 HydrophobicContact CD1-CB 4.48Å; L66-E111 HydrophobicContact CD1-CG 3.84Å; L69-E111 HydrophobicContact CD1-CB 4.13Å; L69-E111 HydrophobicContact CD2-CB 4.07Å; L107-E111 PolarHBondContact O-N 3.02Å; G108-E111 WeakPolarHBondContact O-CB 3.36Å; G108-E111 PolarHBondContact O-N 3.47Å; C109-E111 VanDerWaalsContact C-N 3.26Å; C109-E111 PolarHBondContact O-N 2.82Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 3.2Å; E111-L114 PolarHBondContact O-N 3.27Å; E111-L115 HydrophobicContact CG-CD1 4.06Å; E111-L115 HydrophobicContact CG-CG 4.31Å; E111-L115 WeakPolarHBondContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CG 3.19Å; E111-L115 PolarHBondContact O-N 2.72Å; E111-W251 VanDerWaalsContact CD-CE2 3.49Å; E111-W251 VanDerWaalsContact CD-CH2 3.49Å; E111-W251 HydrophobicContact CG-CZ2 4.1Å; E111-W251 WeakPolarHBondContact OE2-CH2 3.48Å; E111-W251 WeakPolarHBondContact OE2-CZ2 3.14Å
112Y88.4Confident91.5Very high22 Ų2218.9 Ų18.99%0.0869%0.087CC..Hα-helixtrans-56.1-45.1175.6-77.3-71.6000112.3G108 C109 L115 A116 V206 I207 S210 W251 Y252 T255G108-Y112 WeakPolarHBondContact O-CD2 3.29Å; G108-Y112 PolarHBondContact O-N 3.36Å; C109-Y112 PolarHBondContact O-N 3.37Å; Y112-L115 PolarHBondContact O-N 2.91Å; Y112-A116 PolarHBondContact O-N 3.2Å; Y112-V206 HydrophobicContact CD2-CG1 3.99Å; Y112-V206 HydrophobicContact CG-CG1 4.2Å; Y112-I207 HydrophobicContact CE1-CG1 4.33Å; Y112-I207 HydrophobicContact CE2-CG1 4.27Å; Y112-S210 WeakPolarHBondContact O-CB 3.31Å; Y112-W251 AromaticContact CD1-CD1 3.83Å; Y112-W251 AromaticContact CD1-NE1 3.83Å; Y112-W251 AromaticContact CE1-CD1 3.32Å; Y112-W251 AromaticContact CE1-NE1 3.39Å; Y112-W251 AromaticContact CE2-NE1 3.64Å; Y112-W251 AromaticContact CZ-CD1 3.66Å; Y112-W251 AromaticContact CZ-NE1 3.26Å; Y112-W251 VanDerWaalsContact CZ-NE1 3.26Å; Y112-Y252 HydrophobicContact CD1-CD1 4.44Å; Y112-Y252 AromaticContact CD1-CE1 3.71Å; Y112-Y252 HydrophobicContact CD1-CE1 3.71Å; Y112-Y252 AromaticContact CD1-CZ 3.77Å; Y112-Y252 HydrophobicContact CE1-CD1 4.1Å; Y112-Y252 AromaticContact CE1-CE1 3.82Å; Y112-Y252 HydrophobicContact CE1-CE1 3.82Å; Y112-T255 WeakPolarHBondContact OH-CB 3.35Å; Y112-T255 WeakPolarHBondContact OH-CG2 3.21Å; Y112-T255 PolarHBondContact OH-OG1 2.79Å
113F93.7Very high91.7Very high43 Ų4318.9 Ų18.919%0.1899%0.087CC..Hα-helixtrans-67.9-40.1178.8-64.2-47.3000112.6C109 T110 E111 A116 A117 S148 C151 V206 S210C109-F113 VanDerWaalsContact O-CD2 3.25Å; C109-F113 WeakPolarHBondContact O-CD2 3.22Å; C109-F113 PolarHBondContact O-N 3.45Å; T110-F113 PolarHBondContact O-N 3.08Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 3.2Å; F113-A116 PolarHBondContact O-N 3.33Å; F113-A117 PolarHBondContact O-N 2.9Å; F113-S148 WeakPolarHBondContact CB-OG 3.43Å; F113-C151 HydrophobicContact CD2-CB 4Å; F113-C151 HydrophobicContact CE2-CB 3.61Å; F113-C151 HydrophobicContact CZ-CB 4.25Å; F113-V206 HydrophobicContact CE1-CG1 4.44Å; F113-V206 HydrophobicContact CE2-CG1 4.46Å; F113-V206 HydrophobicContact CE2-CG2 4.43Å; F113-V206 HydrophobicContact CZ-CB 4.41Å; F113-V206 HydrophobicContact CZ-CG1 4.14Å; F113-V206 HydrophobicContact CZ-CG2 3.93Å; F113-S210 WeakPolarHBondContact CD1-OG 3.49Å
114L93.4Very high91.7Very high0 Ų016.7 Ų16.70%08%0.076CC..Hα-helixtrans-64.1-42.3175.5-75.1176000111.8F62 N65 L69 T110 E111 A116 A117 M118 A145F62-L114 HydrophobicContact CD1-CD2 4.16Å; N65-L114 HydrophobicContact CB-CD1 4.13Å; N65-L114 HydrophobicContact CB-CD2 4.29Å; L69-L114 HydrophobicContact CD1-CD1 3.87Å; T110-L114 HydrophobicContact CG2-CD1 3.96Å; T110-L114 HydrophobicContact CG2-CG 4.18Å; T110-L114 WeakPolarHBondContact O-CG 3.46Å; T110-L114 PolarHBondContact O-N 3.25Å; E111-L114 PolarHBondContact O-N 3.27Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 2.83Å; L114-A117 PolarHBondContact O-N 3.22Å; L114-M118 VanDerWaalsContact O-CG 3.27Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.44Å; L114-A145 HydrophobicContact CD2-CB 4.47Å
115L90.3Very high91.9Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-61.7-39.7174.5-69.7175.6000111.6L66 E111 Y112 M118 A119 H244 V247 W251L66-L115 HydrophobicContact CD2-CD2 4.3Å; E111-L115 HydrophobicContact CG-CD1 4.06Å; E111-L115 HydrophobicContact CG-CG 4.31Å; E111-L115 WeakPolarHBondContact O-CB 3.26Å; E111-L115 WeakPolarHBondContact O-CG 3.19Å; E111-L115 PolarHBondContact O-N 2.72Å; Y112-L115 PolarHBondContact O-N 2.91Å; L115-M118 HydrophobicContact CD2-SD 4.49Å; L115-M118 PolarHBondContact O-N 3.41Å; L115-A119 PolarHBondContact O-N 3.19Å; L115-H244 PolarHBondContact O-CE1 2.9Å; L115-H244 PolarHBondContact O-NE2 3.29Å; L115-H244 VanDerWaalsContact O-NE2 3.15Å; L115-V247 HydrophobicContact CD2-CG1 3.88Å; L115-W251 HydrophobicContact CD1-CB 4.3Å; L115-W251 HydrophobicContact CD1-CG 4.11Å
116A91.9Very high92Very high4 Ų416.7 Ų16.73%0.0338%0.082CC..Hα-helixtrans-64.8-41.5174.300000112.1Y112 F113 L114 A119 Y120 I213Y112-A116 PolarHBondContact O-N 3.2Å; F113-A116 PolarHBondContact O-N 3.33Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 2.83Å; A116-A119 WeakPolarHBondContact O-CB 3.41Å; A116-A119 PolarHBondContact O-N 2.96Å; A116-Y120 PolarHBondContact O-N 3.05Å; A116-I213 HydrophobicContact CB-CB 4.18Å; A116-I213 HydrophobicContact CB-CD1 4.44Å; A116-I213 HydrophobicContact CB-CG2 4.01Å
117A94.9Very high91.9Very high7 Ų718.1 Ų18.16%0.0589%0.091CC..Hα-helixtrans-63.9-39.9175.700000112.1F62 F113 L114 Y120 D121 L144F62-A117 HydrophobicContact CD1-CB 4.35Å; F62-A117 HydrophobicContact CE1-CB 3.96Å; F62-A117 HydrophobicContact CZ-CB 4.09Å; F113-A117 PolarHBondContact O-N 2.9Å; L114-A117 PolarHBondContact O-N 3.22Å; A117-Y120 PolarHBondContact O-N 3.06Å; A117-D121 PolarHBondContact O-N 3.31Å; A117-L144 HydrophobicContact CB-CB 4.39Å
118M93.8Very high91.8Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-64.2-40.9173.4-70.4171.675.600111.6M59 F62 L63 L66 L114 L115 Y120 D121 R122 H244 Y290M59-M118 HydrophobicContact CE-CE 3.4Å; M59-M118 VanDerWaalsContact CE-CE 3.4Å; M59-M118 HydrophobicContact SD-CB 4.17Å; M59-M118 HydrophobicContact SD-CE 3.9Å; M59-M118 HydrophobicContact SD-CG 4.26Å; F62-M118 HydrophobicContact CB-CG 3.47Å; F62-M118 VanDerWaalsContact CB-CG 3.47Å; F62-M118 HydrophobicContact CB-SD 4.11Å; F62-M118 HydrophobicContact CD2-CG 4.33Å; F62-M118 HydrophobicContact CG-CG 4.07Å; L63-M118 HydrophobicContact CB-CE 4.48Å; L63-M118 HydrophobicContact CD1-CE 4.35Å; L66-M118 HydrophobicContact CD2-SD 4.2Å; L114-M118 VanDerWaalsContact O-CG 3.27Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.44Å; L115-M118 HydrophobicContact CD2-SD 4.49Å; L115-M118 PolarHBondContact O-N 3.41Å; M118-Y120 VanDerWaalsContact C-N 3.32Å; M118-Y120 PolarHBondContact O-N 3.41Å; M118-D121 PolarHBondContact O-N 3.38Å; M118-R122 WeakPolarHBondContact O-CG 3.32Å; M118-R122 PolarHBondContact O-N 2.72Å; M118-H244 WeakPolarHBondContact CB-NE2 2.94Å; M118-Y290 HydrophobicContact CE-CE1 3.97Å
119A91.6Very high91.8Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-59.9-43.7173.300000111.7L115 A116 R122 Y123 T214 Y218L115-A119 PolarHBondContact O-N 3.19Å; A116-A119 WeakPolarHBondContact O-CB 3.41Å; A116-A119 PolarHBondContact O-N 2.96Å; A119-R122 PolarHBondContact O-N 3.23Å; A119-Y123 WeakPolarHBondContact O-CB 3.39Å; A119-Y123 PolarHBondContact O-N 2.94Å; A119-T214 HydrophobicContact CB-CG2 4.03Å; A119-Y218 HydrophobicContact CB-CE2 4.29Å
120Y94.2Very high91.8Very high83 Ų8330.7 Ų30.733%0.32516%0.162SC..Hα-helixtrans-64.8-41.1177.9-178.1-112.6000112.5A116 A117 M118 Y123 L124 M136 L144A116-Y120 PolarHBondContact O-N 3.05Å; A117-Y120 PolarHBondContact O-N 3.06Å; M118-Y120 VanDerWaalsContact C-N 3.32Å; M118-Y120 PolarHBondContact O-N 3.41Å; Y120-Y123 HydrophobicContact CD2-CD1 4.08Å; Y120-Y123 HydrophobicContact CE2-CD1 4.1Å; Y120-Y123 HydrophobicContact CE2-CE1 4.36Å; Y120-Y123 WeakPolarHBondContact O-CB 3.39Å; Y120-Y123 PolarHBondContact O-N 2.9Å; Y120-L124 HydrophobicContact CD1-CD1 4.16Å; Y120-L124 HydrophobicContact CE1-CD1 3.56Å; Y120-L124 HydrophobicContact CE1-CG 4.23Å; Y120-L124 HydrophobicContact CE2-CD1 4.45Å; Y120-L124 HydrophobicContact CE2-CD2 4.43Å; Y120-L124 HydrophobicContact CE2-CG 4.29Å; Y120-L124 PolarHBondContact O-N 3.14Å; Y120-M136 HydrophobicContact CD1-CE 3.71Å; Y120-M136 HydrophobicContact CE1-CE 3.97Å; Y120-L144 HydrophobicContact CD1-CD1 4.37Å
121D93.9Very high91.7Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-58.1-49.1171.8167.481.8000112P58 F62 A117 M118 Y123 L124 A125 Y132 M136P58-D121 WeakPolarHBondContact CB-OD1 3.27Å; F62-D121 HydrophobicContact CE2-CB 4.36Å; A117-D121 PolarHBondContact O-N 3.31Å; M118-D121 PolarHBondContact O-N 3.38Å; D121-Y123 VanDerWaalsContact C-N 3.27Å; D121-Y123 PolarHBondContact O-N 2.86Å; D121-L124 PolarHBondContact O-N 3.36Å; D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.31Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.46Å; D121-Y132 PolarHBondContact OD1-OH 3.06Å; D121-M136 HydrophobicContact CB-CE 4Å
122R91.8Very high91.7Very high41 Ų4138 Ų3816%0.15520%0.195CC..Hα-helixtrans-61.6-37.8177.7-65.6-62.891.9-175.7-2.9111.6M59 M118 A119 A125 I126 I221M59-R122 HydrophobicContact CE-CG 4.46Å; M59-R122 HydrophobicContact SD-CG 4.26Å; M118-R122 WeakPolarHBondContact O-CG 3.32Å; M118-R122 PolarHBondContact O-N 2.72Å; A119-R122 PolarHBondContact O-N 3.23Å; R122-A125 PolarHBondContact O-N 3.38Å; R122-I126 WeakPolarHBondContact O-CG1 3.37Å; R122-I126 PolarHBondContact O-N 2.98Å; R122-I126 VanDerWaalsContact O-N 3.11Å; R122-I221 HydrophobicContact CB-CD1 4.03Å
123Y93.6Very high91.6Very high57 Ų5744.9 Ų44.922%0.22423%0.228CC..Hα-helixtrans-59.7-52.2174.7160.3-97.7000111.1A119 Y120 D121 A125 I126 C127 Y220A119-Y123 WeakPolarHBondContact O-CB 3.39Å; A119-Y123 PolarHBondContact O-N 2.94Å; Y120-Y123 HydrophobicContact CD2-CD1 4.08Å; Y120-Y123 HydrophobicContact CE2-CD1 4.1Å; Y120-Y123 HydrophobicContact CE2-CE1 4.36Å; Y120-Y123 WeakPolarHBondContact O-CB 3.39Å; Y120-Y123 PolarHBondContact O-N 2.9Å; D121-Y123 VanDerWaalsContact C-N 3.27Å; D121-Y123 PolarHBondContact O-N 2.86Å; Y123-A125 VanDerWaalsContact C-N 3.31Å; Y123-A125 PolarHBondContact O-N 2.9Å; Y123-I126 PolarHBondContact O-N 3.41Å; Y123-C127 HydrophobicContact CD2-CB 3.88Å; Y123-C127 VanDerWaalsContact CD2-SG 3.55Å; Y123-C127 HydrophobicContact CE2-CB 3.68Å; Y123-C127 WeakPolarHBondContact O-CB 3.33Å; Y123-C127 PolarHBondContact O-N 3.16Å; Y123-Y220 HydrophobicContact CD2-CG 4.47Å; Y123-Y220 HydrophobicContact CE2-CD2 4.15Å; Y123-Y220 AromaticContact CE2-CG 3.94Å; Y123-Y220 HydrophobicContact CE2-CG 3.94Å
124L93Very high91.4Very high6 Ų647.2 Ų47.23%0.03125%0.25CC..Hα-helixtrans-61.9-41.1179.6-69.7177000111.7Y120 D121 I126 S128 Y132 I135 M136Y120-L124 HydrophobicContact CD1-CD1 4.16Å; Y120-L124 HydrophobicContact CE1-CD1 3.56Å; Y120-L124 HydrophobicContact CE1-CG 4.23Å; Y120-L124 HydrophobicContact CE2-CD1 4.45Å; Y120-L124 HydrophobicContact CE2-CD2 4.43Å; Y120-L124 HydrophobicContact CE2-CG 4.29Å; Y120-L124 PolarHBondContact O-N 3.14Å; D121-L124 PolarHBondContact O-N 3.36Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.09Å; L124-S128 CarbonylContact O-C 3.41Å; L124-S128 WeakPolarHBondContact O-CA 3.43Å; L124-S128 PolarHBondContact O-N 2.79Å; L124-S128 VanDerWaalsContact O-N 3.08Å; L124-Y132 HydrophobicContact CB-CD2 3.79Å; L124-Y132 HydrophobicContact CB-CE2 4.35Å; L124-I135 HydrophobicContact CD1-CB 4.29Å; L124-I135 HydrophobicContact CD1-CG2 3.6Å; L124-I135 HydrophobicContact CD2-CD1 4.26Å; L124-I135 HydrophobicContact CD2-CG2 4.35Å; L124-M136 HydrophobicContact CD1-CB 4.09Å; L124-M136 HydrophobicContact CD1-CE 3.8Å
125A90.8Very high91.3Very high28 Ų2850.4 Ų50.423%0.23127%0.266CS..Hα-helixtrans-63.3-36-17900000113.2D121 R122 Y123 Y132D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.31Å; R122-A125 PolarHBondContact O-N 3.38Å; Y123-A125 VanDerWaalsContact C-N 3.31Å; Y123-A125 PolarHBondContact O-N 2.9Å; A125-Y132 HydrophobicContact CB-CD2 3.87Å; A125-Y132 HydrophobicContact CB-CE2 3.78Å; A125-Y132 HydrophobicContact CB-CG 4.4Å
126I89.6Confident91.5Very high31 Ų3150.6 Ų50.616%0.15927%0.267CS..Hα-helixtrans-95-46.2-175.8-64.3172.9000111.7R122 Y123 L124 I221 T224 I225 C241R122-I126 WeakPolarHBondContact O-CG1 3.37Å; R122-I126 PolarHBondContact O-N 2.98Å; R122-I126 VanDerWaalsContact O-N 3.11Å; Y123-I126 PolarHBondContact O-N 3.41Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.09Å; I126-I221 HydrophobicContact CD1-CG1 4.39Å; I126-I221 HydrophobicContact CD1-CG2 3.74Å; I126-I221 HydrophobicContact CG2-CG2 4.39Å; I126-T224 HydrophobicContact CG2-CG2 4.11Å; I126-I225 HydrophobicContact CG2-CG1 4.39Å; I126-C241 HydrophobicContact CD1-CB 4.43Å
127C90.3Very high91.5Very high30 Ų3053.4 Ų53.420%0.20328%0.281CS..Hα-helixtrans-84.6-19.5-173.1-58.70000112.9Y123 T224Y123-C127 HydrophobicContact CD2-CB 3.88Å; Y123-C127 VanDerWaalsContact CD2-SG 3.55Å; Y123-C127 HydrophobicContact CE2-CB 3.68Å; Y123-C127 WeakPolarHBondContact O-CB 3.33Å; Y123-C127 PolarHBondContact O-N 3.16Å; C127-T224 PolarHBondContact SG-OG1 2.91Å; C127-T224 VanDerWaalsContact SG-OG1 3.35Å
128S90.3Very high91.2Very high38 Ų3858.1 Ų58.127%0.26631%0.314SS..  trans-143.155.8-177.5-67.60000112.7L124 L130 H131 Y132L124-S128 CarbonylContact O-C 3.41Å; L124-S128 WeakPolarHBondContact O-CA 3.43Å; L124-S128 PolarHBondContact O-N 2.79Å; L124-S128 VanDerWaalsContact O-N 3.08Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 3.37Å; S128-L130 VanDerWaalsContact O-N 3.17Å; S128-H131 PolarHBondContact O-N 3.07Å; S128-Y132 PolarHBondContact O-N 3.09Å
129P87.8Confident91.2Very high90 Ų9063.5 Ų63.558%0.58434%0.342SS*.THydrogen-bonded Turntrans-59.8-34-170.924-34.7000113.8H131 Y132P129-H131 VanDerWaalsContact C-N 3.31Å; P129-H131 PolarHBondContact O-N 3.37Å; P129-Y132 PolarHBondContact O-N 3Å
130L90.6Very high91.3Very high165 Ų16565.6 Ų65.686%0.86435%0.353SS*.THydrogen-bonded Turntrans-68.1-28.6179.7-65.5175.5000113.4S128S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 3.37Å; S128-L130 VanDerWaalsContact O-N 3.17Å
131H90.4Very high91.3Very high117 Ų11761.7 Ų61.754%0.54234%0.338SS..THydrogen-bonded Turntrans-102.6-7.8-178.6-61.898.3000112.6S128 P129 Q133 S134 I135S128-H131 PolarHBondContact O-N 3.07Å; P129-H131 VanDerWaalsContact C-N 3.31Å; P129-H131 PolarHBondContact O-N 3.37Å; H131-Q133 PolarHBondContact O-N 3.17Å; H131-S134 PolarHBondContact O-N 2.98Å; H131-S134 VanDerWaalsContact O-N 3.09Å; H131-I135 HydrophobicContact CB-CD1 3.76Å; H131-I135 HydrophobicContact CB-CG1 4.31Å; H131-I135 WeakPolarHBondContact O-CG1 3.08Å; H131-I135 PolarHBondContact O-N 3.24Å
132Y90.6Very high91.4Very high36 Ų3663.7 Ų63.714%0.14135%0.354CS..Hα-helixtrans-51.5-51.7-173.5173.8-107.9000112.9D121 L124 A125 S128 P129 S134 I135 M136D121-Y132 WeakPolarHBondContact OD1-CE2 3.46Å; D121-Y132 PolarHBondContact OD1-OH 3.06Å; L124-Y132 HydrophobicContact CB-CD2 3.79Å; L124-Y132 HydrophobicContact CB-CE2 4.35Å; A125-Y132 HydrophobicContact CB-CD2 3.87Å; A125-Y132 HydrophobicContact CB-CE2 3.78Å; A125-Y132 HydrophobicContact CB-CG 4.4Å; S128-Y132 PolarHBondContact O-N 3.09Å; P129-Y132 PolarHBondContact O-N 3Å; Y132-S134 VanDerWaalsContact C-N 3.3Å; Y132-S134 PolarHBondContact O-N 3.01Å; Y132-I135 PolarHBondContact O-N 3.18Å; Y132-M136 HydrophobicContact CD2-CB 4.01Å; Y132-M136 HydrophobicContact CE2-CB 3.69Å; Y132-M136 HydrophobicContact CE2-CG 3.96Å; Y132-M136 WeakPolarHBondContact O-CA 3.39Å; Y132-M136 PolarHBondContact O-N 3.07Å
133Q87.5Confident91.6Very high166 Ų16666.8 Ų66.878%0.77637%0.371SS*.Hα-helixtrans-69.8-25.8-177.1-67.9-160.6-2.400114H131H131-Q133 PolarHBondContact O-N 3.17Å
134S90.1Very high91.8Very high93 Ų9366.1 Ų66.165%0.6537%0.37SS*.Hα-helixtrans-74.8-43.6176.4-177.20000110.8H131 Y132 N137H131-S134 PolarHBondContact O-N 2.98Å; H131-S134 VanDerWaalsContact O-N 3.09Å; Y132-S134 VanDerWaalsContact C-N 3.3Å; Y132-S134 PolarHBondContact O-N 3.01Å; S134-N137 PolarHBondContact O-ND2 3.47Å
135I91.2Very high91.9Very high66 Ų6666 Ų6634%0.33837%0.37SS..Hα-helixtrans-78.2-60.9-178.1-59.1170.5000110.8L124 H131 Y132 N137 L140L124-I135 HydrophobicContact CD1-CB 4.29Å; L124-I135 HydrophobicContact CD1-CG2 3.6Å; L124-I135 HydrophobicContact CD2-CD1 4.26Å; L124-I135 HydrophobicContact CD2-CG2 4.35Å; H131-I135 HydrophobicContact CB-CD1 3.76Å; H131-I135 HydrophobicContact CB-CG1 4.31Å; H131-I135 WeakPolarHBondContact O-CG1 3.08Å; H131-I135 PolarHBondContact O-N 3.24Å; Y132-I135 PolarHBondContact O-N 3.18Å; I135-N137 VanDerWaalsContact C-N 3.31Å; I135-N137 PolarHBondContact O-N 2.99Å; I135-N137 VanDerWaalsContact O-N 3.07Å; I135-L140 HydrophobicContact CG2-CD2 4.24Å; I135-L140 WeakPolarHBondContact O-CD2 3.39Å
136M92.8Very high92.2Very high4 Ų469.7 Ų69.72%0.0239%0.386CS..SBendtrans-88.371.1-177.4-169.76370.500110.6P58 F62 Y120 D121 L124 Y132 L140 S141 L144P58-M136 HydrophobicContact CB-CG 3.63Å; P58-M136 HydrophobicContact CB-SD 4.27Å; P58-M136 HydrophobicContact CG-CG 3.72Å; F62-M136 HydrophobicContact CE2-SD 4.35Å; Y120-M136 HydrophobicContact CD1-CE 3.71Å; Y120-M136 HydrophobicContact CE1-CE 3.97Å; D121-M136 HydrophobicContact CB-CE 4Å; L124-M136 HydrophobicContact CD1-CB 4.09Å; L124-M136 HydrophobicContact CD1-CE 3.8Å; Y132-M136 HydrophobicContact CD2-CB 4.01Å; Y132-M136 HydrophobicContact CE2-CB 3.69Å; Y132-M136 HydrophobicContact CE2-CG 3.96Å; Y132-M136 WeakPolarHBondContact O-CA 3.39Å; Y132-M136 PolarHBondContact O-N 3.07Å; M136-L140 HydrophobicContact CE-CD2 4.48Å; M136-L140 HydrophobicContact SD-CD2 4.34Å; M136-L140 HydrophobicContact SD-CG 4.49Å; M136-S141 PolarHBondContact SD-OG 3.44Å; M136-S141 VanDerWaalsContact SD-OG 3.41Å; M136-L144 HydrophobicContact CE-CD1 4.06Å; M136-L144 HydrophobicContact SD-CD1 4.36Å
137N92.2Very high92.6Very high64 Ų6470.7 Ų70.734%0.34240%0.396SS..  trans-92.9170.3171.863.753000111.3S134 I135 L139 L140 S141S134-N137 PolarHBondContact O-ND2 3.47Å; I135-N137 VanDerWaalsContact C-N 3.31Å; I135-N137 PolarHBondContact O-N 2.99Å; I135-N137 VanDerWaalsContact O-N 3.07Å; N137-L139 PolarHBondContact O-N 2.87Å; N137-L139 VanDerWaalsContact O-N 3.17Å; N137-L139 WeakPolarHBondContact OD1-CB 3.48Å; N137-L139 PolarHBondContact OD1-N 3.44Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 PolarHBondContact OD1-N 2.86Å; N137-S141 PolarHBondContact O-N 3.21Å; N137-S141 PolarHBondContact O-OG 3.24Å; N137-S141 VanDerWaalsContact O-OG 3.09Å
138S89.3Confident92.9Very high105 Ų10569.6 Ų69.673%0.73439%0.388SS*.Hα-helixtrans-58.1-31.3-177.4-51.70000114A142S138-A142 VanDerWaalsContact O-CB 3.29Å; S138-A142 WeakPolarHBondContact O-CB 3.19Å; S138-A142 PolarHBondContact O-N 2.96Å
139L93.3Very high93.2Very high114 Ų11469.9 Ų69.960%0.59738%0.383SS*.Hα-helixtrans-68.7-49.1178176.163.8000110.7N137 S141 A142 Q143N137-L139 PolarHBondContact O-N 2.87Å; N137-L139 VanDerWaalsContact O-N 3.17Å; N137-L139 WeakPolarHBondContact OD1-CB 3.48Å; N137-L139 PolarHBondContact OD1-N 3.44Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.66Å; L139-A142 PolarHBondContact O-N 3.03Å; L139-Q143 HydrophobicContact CD1-CG 4.39Å; L139-Q143 WeakPolarHBondContact O-CG 3.43Å; L139-Q143 PolarHBondContact O-N 3.23Å
140L94.6Very high93.7Very high43 Ų4369.6 Ų69.623%0.22538%0.376CS..Hα-helixtrans-62.6-42.6177.1-178.861.9000111I135 M136 N137 A142 Q143 L144I135-L140 HydrophobicContact CG2-CD2 4.24Å; I135-L140 WeakPolarHBondContact O-CD2 3.39Å; M136-L140 HydrophobicContact CE-CD2 4.48Å; M136-L140 HydrophobicContact SD-CD2 4.34Å; M136-L140 HydrophobicContact SD-CG 4.49Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 PolarHBondContact OD1-N 2.86Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 2.97Å; L140-Q143 PolarHBondContact O-N 3.34Å; L140-L144 HydrophobicContact CD1-CD1 4.3Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.02Å; L140-L144 HydrophobicContact CG-CG 4.32Å; L140-L144 WeakPolarHBondContact O-CB 3.48Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.5Å
141S94.2Very high93.9Very high2 Ų264.6 Ų64.61%0.01435%0.354CS..Hα-helixtrans-59.7-43.1176.5-52.40000112P58 F62 M136 N137 L139 L144 A145P58-S141 WeakPolarHBondContact CB-OG 3.29Å; F62-S141 WeakPolarHBondContact CE1-O 3.43Å; M136-S141 PolarHBondContact SD-OG 3.44Å; M136-S141 VanDerWaalsContact SD-OG 3.41Å; N137-S141 PolarHBondContact O-N 3.21Å; N137-S141 PolarHBondContact O-OG 3.24Å; N137-S141 VanDerWaalsContact O-OG 3.09Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.66Å; S141-L144 PolarHBondContact O-N 3.03Å; S141-A145 WeakPolarHBondContact O-CB 3.38Å; S141-A145 PolarHBondContact O-N 3.13Å
142A94.8Very high94Very high42 Ų4259 Ų5935%0.34733%0.328SS..Hα-helixtrans-65.2-41.5176.100000112.2S138 L139 L140 A145 L146S138-A142 VanDerWaalsContact O-CB 3.29Å; S138-A142 WeakPolarHBondContact O-CB 3.19Å; S138-A142 PolarHBondContact O-N 2.96Å; L139-A142 PolarHBondContact O-N 3.03Å; L140-A142 VanDerWaalsContact C-N 3.32Å; L140-A142 PolarHBondContact O-N 2.97Å; A142-A145 PolarHBondContact O-N 2.93Å; A142-L146 VanDerWaalsContact O-CB 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.35Å; A142-L146 PolarHBondContact O-N 2.94Å
143Q97.1Very high94.3Very high106 Ų10660.2 Ų60.250%0.49533%0.334SS..Hα-helixtrans-63-43.8176.3-74.9175.2-1700112.1L139 L140 L146 S147L139-Q143 HydrophobicContact CD1-CG 4.39Å; L139-Q143 WeakPolarHBondContact O-CG 3.43Å; L139-Q143 PolarHBondContact O-N 3.23Å; L140-Q143 PolarHBondContact O-N 3.34Å; Q143-L146 PolarHBondContact O-N 3.05Å; Q143-S147 VanDerWaalsContact O-CB 3.3Å; Q143-S147 WeakPolarHBondContact O-CB 3.38Å; Q143-S147 PolarHBondContact O-N 2.76Å; Q143-S147 PolarHBondContact O-OG 3.41Å; Q143-S147 VanDerWaalsContact O-OG 3.09Å
144L96.7Very high94.6Very high42 Ų4257.4 Ų57.422%0.2232%0.324CS..Hα-helixtrans-65.1-40.2177-71.7173.8000112.1F62 A117 Y120 M136 L140 S141 S147 S148F62-L144 HydrophobicContact CE1-CB 3.9Å; F62-L144 HydrophobicContact CZ-CB 3.86Å; F62-L144 HydrophobicContact CZ-CD1 4.04Å; A117-L144 HydrophobicContact CB-CB 4.39Å; Y120-L144 HydrophobicContact CD1-CD1 4.37Å; M136-L144 HydrophobicContact CE-CD1 4.06Å; M136-L144 HydrophobicContact SD-CD1 4.36Å; L140-L144 HydrophobicContact CD1-CD1 4.3Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.02Å; L140-L144 HydrophobicContact CG-CG 4.32Å; L140-L144 WeakPolarHBondContact O-CB 3.48Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.5Å; S141-L144 PolarHBondContact O-N 3.03Å; L144-S147 WeakPolarHBondContact CA-OG 3.37Å; L144-S147 PolarHBondContact O-OG 3.28Å; L144-S148 WeakPolarHBondContact O-CB 3.2Å; L144-S148 PolarHBondContact O-N 3.39Å; L144-S148 PolarHBondContact O-OG 2.94Å
145A96.4Very high94.6Very high3 Ų354 Ų543%0.02530%0.302CS..Hα-helixtrans-65.8-49.7175.200000110.7F61 F62 L114 S141 A142 S147 S148 W149F61-A145 HydrophobicContact CE1-CB 3.7Å; F61-A145 HydrophobicContact CZ-CB 4.26Å; F62-A145 HydrophobicContact CD1-CB 4.34Å; F62-A145 HydrophobicContact CE1-CB 4.16Å; L114-A145 HydrophobicContact CD2-CB 4.47Å; S141-A145 WeakPolarHBondContact O-CB 3.38Å; S141-A145 PolarHBondContact O-N 3.13Å; A142-A145 PolarHBondContact O-N 2.93Å; A145-S147 VanDerWaalsContact C-N 3.35Å; A145-S147 PolarHBondContact O-N 3.27Å; A145-S148 WeakPolarHBondContact O-CB 3.24Å; A145-S148 PolarHBondContact O-N 2.86Å; A145-S148 VanDerWaalsContact O-N 3.16Å; A145-W149 PolarHBondContact O-N 2.93Å
146L97.3Very high94.7Very high107 Ų10751.2 Ų51.256%0.5629%0.287SS*.Hα-helixtrans-61.2-42.6-179.9-177.962.2000111.9A142 Q143 S148 W149 I150A142-L146 VanDerWaalsContact O-CB 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.35Å; A142-L146 PolarHBondContact O-N 2.94Å; Q143-L146 PolarHBondContact O-N 3.05Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.4Å; L146-W149 PolarHBondContact O-N 3.37Å; L146-I150 HydrophobicContact CD1-CD1 3.98Å; L146-I150 HydrophobicContact CD1-CG1 4.27Å; L146-I150 HydrophobicContact CD2-CD1 4.39Å; L146-I150 HydrophobicContact CG-CD1 3.79Å; L146-I150 HydrophobicContact CG-CG1 4.43Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 2.85Å
147S97.2Very high94.6Very high52 Ų5253.2 Ų53.236%0.36430%0.302SS..Hα-helixtrans-64.9-37.8176.367.20000111.8Q143 L144 A145 W149 I150 C151Q143-S147 VanDerWaalsContact O-CB 3.3Å; Q143-S147 WeakPolarHBondContact O-CB 3.38Å; Q143-S147 PolarHBondContact O-N 2.76Å; Q143-S147 PolarHBondContact O-OG 3.41Å; Q143-S147 VanDerWaalsContact O-OG 3.09Å; L144-S147 WeakPolarHBondContact CA-OG 3.37Å; L144-S147 PolarHBondContact O-OG 3.28Å; A145-S147 VanDerWaalsContact C-N 3.35Å; A145-S147 PolarHBondContact O-N 3.27Å; S147-W149 VanDerWaalsContact C-N 3.33Å; S147-W149 PolarHBondContact O-N 3.12Å; S147-I150 PolarHBondContact O-N 2.91Å; S147-C151 WeakPolarHBondContact O-CB 3.47Å; S147-C151 PolarHBondContact O-N 3.37Å; S147-C151 PolarHBondContact O-SG 2.99Å
148S96.6Very high94.5Very high6 Ų653.9 Ų53.94%0.04231%0.308CS..Hα-helixtrans-60.1-42.9174.5-59.20000112T110 F113 L144 A145 L146 G152T110-S148 PolarHBondContact OG1-O 2.89Å; T110-S148 VanDerWaalsContact OG1-O 3.08Å; F113-S148 WeakPolarHBondContact CB-OG 3.43Å; L144-S148 WeakPolarHBondContact O-CB 3.2Å; L144-S148 PolarHBondContact O-N 3.39Å; L144-S148 PolarHBondContact O-OG 2.94Å; A145-S148 WeakPolarHBondContact O-CB 3.24Å; A145-S148 PolarHBondContact O-N 2.86Å; A145-S148 VanDerWaalsContact O-N 3.16Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.4Å; S148-G152 PolarHBondContact O-N 3.33Å; S148-G152 VanDerWaalsContact O-N 3.1Å
149W97.4Very high94.3Very high45 Ų4549 Ų4917%0.1727%0.273CS..Hα-helixtrans-65.1-52.4175.3-78.1105.3000111.7N65 F68 L69 L107 T110 A145 L146 S147 C151 G152 F153N65-W149 PolarHBondContact OD1-NE1 3.3Å; F68-W149 AromaticContact CD1-CH2 3.86Å; F68-W149 HydrophobicContact CD1-CH2 3.86Å; F68-W149 AromaticContact CD1-CZ2 3.82Å; F68-W149 HydrophobicContact CD1-CZ2 3.82Å; F68-W149 HydrophobicContact CE1-CH2 4.15Å; F68-W149 HydrophobicContact CE1-CZ2 4.36Å; L69-W149 HydrophobicContact CB-CH2 3.85Å; L69-W149 HydrophobicContact CB-CZ2 3.99Å; L69-W149 HydrophobicContact CD1-CH2 4.31Å; L69-W149 HydrophobicContact CD1-CZ2 4.42Å; L69-W149 HydrophobicContact CG-CH2 4.15Å; L107-W149 HydrophobicContact CD2-CH2 3.84Å; L107-W149 HydrophobicContact CD2-CZ3 3.56Å; T110-W149 HydrophobicContact CG2-CD2 3.77Å; T110-W149 HydrophobicContact CG2-CE3 4.01Å; T110-W149 HydrophobicContact CG2-CG 4.04Å; T110-W149 HydrophobicContact CG2-CZ3 4.5Å; A145-W149 PolarHBondContact O-N 2.93Å; L146-W149 PolarHBondContact O-N 3.37Å; S147-W149 VanDerWaalsContact C-N 3.33Å; S147-W149 PolarHBondContact O-N 3.12Å; W149-C151 PolarHBondContact O-N 3.22Å; W149-G152 PolarHBondContact O-N 3.3Å; W149-F153 HydrophobicContact CE3-CD2 4.16Å; W149-F153 AromaticContact CE3-CE2 3.52Å; W149-F153 HydrophobicContact CE3-CE2 3.52Å; W149-F153 HydrophobicContact CE3-CZ 4.37Å; W149-F153 AromaticContact CZ3-CE2 3.7Å; W149-F153 HydrophobicContact CZ3-CE2 3.7Å; W149-F153 HydrophobicContact CZ3-CZ 4.25Å; W149-F153 VanDerWaalsContact O-CD2 3.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.24Å; W149-F153 PolarHBondContact O-N 3.32Å
150I97.4Very high94Very high83 Ų8344.4 Ų44.443%0.42625%0.251SS..Hα-helixtrans-59.8-48.8-178.9-69.4171.7000110.8L146 S147 G152 F153 L154L146-I150 HydrophobicContact CD1-CD1 3.98Å; L146-I150 HydrophobicContact CD1-CG1 4.27Å; L146-I150 HydrophobicContact CD2-CD1 4.39Å; L146-I150 HydrophobicContact CG-CD1 3.79Å; L146-I150 HydrophobicContact CG-CG1 4.43Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 2.85Å; S147-I150 PolarHBondContact O-N 2.91Å; I150-G152 PolarHBondContact O-N 3.25Å; I150-F153 PolarHBondContact O-N 3.45Å; I150-L154 HydrophobicContact CG2-CD1 3.58Å; I150-L154 HydrophobicContact CG2-CG 4.21Å; I150-L154 WeakPolarHBondContact O-CB 3.39Å; I150-L154 VanDerWaalsContact O-CG 3.29Å; I150-L154 WeakPolarHBondContact O-CG 3.22Å; I150-L154 PolarHBondContact O-N 2.97Å
151C95.3Very high93.8Very high60 Ų6044.9 Ų44.941%0.40526%0.261SS..Hα-helixtrans-62.8-41.6-179.5-70.40000112.1F113 S147 W149 A155F113-C151 HydrophobicContact CD2-CB 4Å; F113-C151 HydrophobicContact CE2-CB 3.61Å; F113-C151 HydrophobicContact CZ-CB 4.25Å; S147-C151 WeakPolarHBondContact O-CB 3.47Å; S147-C151 PolarHBondContact O-N 3.37Å; S147-C151 PolarHBondContact O-SG 2.99Å; W149-C151 PolarHBondContact O-N 3.22Å; C151-A155 VanDerWaalsContact O-CB 3.22Å; C151-A155 WeakPolarHBondContact O-CB 3.35Å; C151-A155 PolarHBondContact O-N 3.36Å
152G93.1Very high93.4Very high0 Ų047.2 Ų47.20%027%0.273CS..Hα-helixtrans-65.6-40.5178.200000113.4S106 S148 W149 I150S106-G152 PolarHBondContact OG-O 3.44Å; S148-G152 PolarHBondContact O-N 3.33Å; S148-G152 VanDerWaalsContact O-N 3.1Å; W149-G152 PolarHBondContact O-N 3.3Å; I150-G152 PolarHBondContact O-N 3.25Å
153F95.3Very high92.9Very high61 Ų6145.3 Ų45.327%0.26826%0.256SS..Hα-helixtrans-72-38.3177.4-84.1-107.1000112.8Y102 L103 L107 W149 I150 S157Y102-F153 HydrophobicContact CE1-CD1 4.01Å; Y102-F153 HydrophobicContact CE1-CE1 4.26Å; Y102-F153 AromaticContact CZ-CD1 3.97Å; Y102-F153 WeakPolarHBondContact OH-CD1 3.33Å; Y102-F153 PolarHBondContact OH-O 3.43Å; L103-F153 HydrophobicContact CD2-CE1 4.47Å; L107-F153 HydrophobicContact CD2-CE2 4.39Å; L107-F153 HydrophobicContact CD2-CZ 4.43Å; W149-F153 HydrophobicContact CE3-CD2 4.16Å; W149-F153 AromaticContact CE3-CE2 3.52Å; W149-F153 HydrophobicContact CE3-CE2 3.52Å; W149-F153 HydrophobicContact CE3-CZ 4.37Å; W149-F153 AromaticContact CZ3-CE2 3.7Å; W149-F153 HydrophobicContact CZ3-CE2 3.7Å; W149-F153 HydrophobicContact CZ3-CZ 4.25Å; W149-F153 VanDerWaalsContact O-CD2 3.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.24Å; W149-F153 PolarHBondContact O-N 3.32Å; I150-F153 PolarHBondContact O-N 3.45Å; F153-S157 PolarHBondContact O-N 3.39Å
154L94.9Very high92.3Very high108 Ų10843 Ų4357%0.56525%0.252SS*.Hα-helixtrans-68.2-40175.5-74.1176.1000111.9I150 I156 S157I150-L154 HydrophobicContact CG2-CD1 3.58Å; I150-L154 HydrophobicContact CG2-CG 4.21Å; I150-L154 WeakPolarHBondContact O-CB 3.39Å; I150-L154 VanDerWaalsContact O-CG 3.29Å; I150-L154 WeakPolarHBondContact O-CG 3.22Å; I150-L154 PolarHBondContact O-N 2.97Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 PolarHBondContact O-N 3.48Å; L154-S157 WeakPolarHBondContact O-CB 3.42Å; L154-S157 PolarHBondContact O-N 3.04Å; L154-S157 PolarHBondContact O-OG 3.29Å
155A90.7Very high91.7Very high21 Ų2145.8 Ų45.817%0.17427%0.271CS..Hα-helixtrans-54.3-43.7-178.200000112.1C151 P159 I202C151-A155 VanDerWaalsContact O-CB 3.22Å; C151-A155 WeakPolarHBondContact O-CB 3.35Å; C151-A155 PolarHBondContact O-N 3.36Å; A155-P159 VanDerWaalsContact O-CD 3.26Å; A155-P159 WeakPolarHBondContact O-CD 3.37Å; A155-I202 HydrophobicContact CB-CG2 4.02Å; A155-I202 WeakPolarHBondContact O-CD1 3.45Å
156I91.6Very high91.1Very high7 Ų746.6 Ų46.64%0.03628%0.275CS..Hα-helixtrans-87.7-14.5-175.2-53.8-56.1000112.9M101 Y102 F105 S106 L154 V158 P159 T160 I202M101-I156 HydrophobicContact CE-CG2 4.13Å; Y102-I156 HydrophobicContact CD2-CB 4.21Å; Y102-I156 HydrophobicContact CD2-CG2 3.86Å; Y102-I156 HydrophobicContact CE2-CB 4.31Å; Y102-I156 HydrophobicContact CE2-CG2 4.46Å; F105-I156 HydrophobicContact CB-CD1 3.89Å; F105-I156 HydrophobicContact CB-CG1 3.83Å; F105-I156 HydrophobicContact CB-CG2 3.87Å; S106-I156 WeakPolarHBondContact OG-CB 3.4Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 PolarHBondContact O-N 3.48Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.03Å; I156-P159 VanDerWaalsContact O-CD 3.31Å; I156-P159 WeakPolarHBondContact O-CD 3.31Å; I156-T160 WeakPolarHBondContact O-CB 3.5Å; I156-T160 PolarHBondContact O-N 3.15Å; I156-T160 PolarHBondContact O-OG1 2.92Å; I156-I202 HydrophobicContact CD1-CG2 4.36Å
157S91.8Very high90.2Very high47 Ų4745 Ų4533%0.32927%0.273SS..Hα-helixtrans-57.4-40.9-179.868.50000113F153 L154 A161F153-S157 PolarHBondContact O-N 3.39Å; L154-S157 WeakPolarHBondContact O-CB 3.42Å; L154-S157 PolarHBondContact O-N 3.04Å; L154-S157 PolarHBondContact O-OG 3.29Å; S157-A161 WeakPolarHBondContact O-CB 3.39Å; S157-A161 PolarHBondContact O-N 3.29Å
158V89.3Confident89.3Confident77 Ų7743.7 Ų43.747%0.46726%0.261SS..Hα-helixtrans-70.1-52.1-179.6-179.30000111.8I156 T160 A161 L162 V198I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.03Å; V158-T160 VanDerWaalsContact C-N 3.29Å; V158-T160 PolarHBondContact O-N 3.4Å; V158-A161 PolarHBondContact O-N 2.96Å; V158-L162 HydrophobicContact CG1-CD1 4.31Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.27Å; V158-V198 HydrophobicContact CG1-CG1 4.05Å
159P85.1Confident88.1Confident2 Ų247.8 Ų47.81%0.01329%0.288CS..Hα-helixtrans-51-46170.7-26.128.2000113.4A155 I156 A161 L162 I163 V198 I202A155-P159 VanDerWaalsContact O-CD 3.26Å; A155-P159 WeakPolarHBondContact O-CD 3.37Å; I156-P159 VanDerWaalsContact O-CD 3.31Å; I156-P159 WeakPolarHBondContact O-CD 3.31Å; P159-A161 PolarHBondContact O-N 3.27Å; P159-L162 PolarHBondContact O-N 3.45Å; P159-I163 VanDerWaalsContact O-CG1 3.28Å; P159-I163 WeakPolarHBondContact O-CG1 3.47Å; P159-I163 PolarHBondContact O-N 3.04Å; P159-V198 HydrophobicContact CG-CG1 4.05Å; P159-I202 HydrophobicContact CG-CD1 3.38Å
160T88.1Confident86.6Confident19 Ų1946.7 Ų46.712%0.11729%0.291CS..Hα-helixtrans-62.1-43.5179.7-63.20000111.8L98 M101 Y102 I156 V158 I163 S164L98-T160 HydrophobicContact CD1-CG2 3.78Å; L98-T160 HydrophobicContact CD2-CG2 4.16Å; L98-T160 HydrophobicContact CG-CG2 3.8Å; M101-T160 WeakPolarHBondContact CE-OG1 3.23Å; Y102-T160 HydrophobicContact CD2-CG2 4.35Å; Y102-T160 WeakPolarHBondContact CD2-OG1 3.35Å; I156-T160 WeakPolarHBondContact O-CB 3.5Å; I156-T160 PolarHBondContact O-N 3.15Å; I156-T160 PolarHBondContact O-OG1 2.92Å; V158-T160 VanDerWaalsContact C-N 3.29Å; V158-T160 PolarHBondContact O-N 3.4Å; T160-I163 PolarHBondContact O-N 3.21Å; T160-S164 WeakPolarHBondContact O-CB 3.18Å; T160-S164 PolarHBondContact O-N 3.23Å
161A89Confident84.9Confident53 Ų5347.7 Ų47.744%0.43830%0.303SS..Hα-helixtrans-62-43.8176.400000111.4S157 V158 P159 S164 T165S157-A161 WeakPolarHBondContact O-CB 3.39Å; S157-A161 PolarHBondContact O-N 3.29Å; V158-A161 PolarHBondContact O-N 2.96Å; P159-A161 PolarHBondContact O-N 3.27Å; A161-S164 WeakPolarHBondContact O-CB 3.33Å; A161-S164 PolarHBondContact O-N 2.89Å; A161-S164 PolarHBondContact O-OG 2.71Å; A161-T165 PolarHBondContact O-N 3.38Å
162L86.3Confident83.7Confident51 Ų5147.7 Ų47.727%0.26730%0.299SS..Hα-helixtrans-62.8-46.2176.5-67.7172.6000111.8V158 P159 S164 T165 A194 V195 V198V158-L162 HydrophobicContact CG1-CD1 4.31Å; V158-L162 WeakPolarHBondContact O-CG 3.45Å; V158-L162 PolarHBondContact O-N 3.27Å; P159-L162 PolarHBondContact O-N 3.45Å; L162-S164 PolarHBondContact O-N 3.45Å; L162-T165 PolarHBondContact O-N 3.03Å; L162-T165 PolarHBondContact O-OG1 3.11Å; L162-A194 HydrophobicContact CD1-CB 4.45Å; L162-V195 HydrophobicContact CB-CG2 3.65Å; L162-V198 HydrophobicContact CD1-CB 4.19Å; L162-V198 HydrophobicContact CD1-CG1 4.38Å; L162-V198 HydrophobicContact CD1-CG2 3.97Å
163I84.4Confident82.4Confident1 Ų149.3 Ų49.31%0.00531%0.312CS..Hα-helixtrans-59.8-37.6176.1-68.4167.4000110.8L98 M101 P159 T160 T165 L166 I181 W184 V195L98-I163 HydrophobicContact CD1-CB 4.28Å; L98-I163 HydrophobicContact CD1-CG2 3.83Å; M101-I163 HydrophobicContact CE-CD1 4.19Å; M101-I163 HydrophobicContact SD-CD1 3.62Å; P159-I163 VanDerWaalsContact O-CG1 3.28Å; P159-I163 WeakPolarHBondContact O-CG1 3.47Å; P159-I163 PolarHBondContact O-N 3.04Å; T160-I163 PolarHBondContact O-N 3.21Å; I163-T165 PolarHBondContact O-N 3.42Å; I163-T165 VanDerWaalsContact O-N 3.14Å; I163-L166 HydrophobicContact CG1-CD1 4.4Å; I163-L166 WeakPolarHBondContact O-CB 3.31Å; I163-L166 PolarHBondContact O-N 3.25Å; I163-L166 VanDerWaalsContact O-N 3.1Å; I163-I181 HydrophobicContact CD1-CG1 4.31Å; I163-I181 HydrophobicContact CD1-CG2 4.34Å; I163-W184 HydrophobicContact CG2-CD2 4.1Å; I163-W184 HydrophobicContact CG2-CE3 4.41Å; I163-W184 HydrophobicContact CG2-CG 4.19Å; I163-V195 HydrophobicContact CD1-CG1 4.08Å; I163-V195 HydrophobicContact CG1-CG1 3.74Å; I163-V195 HydrophobicContact CG1-CG2 4.08Å
164S85.1Confident81.2Confident58 Ų5846.4 Ų46.441%0.40630%0.299SS..Hα-helixtrans-62.8-20.2178.579.90000114.4T160 A161 L162T160-S164 WeakPolarHBondContact O-CB 3.18Å; T160-S164 PolarHBondContact O-N 3.23Å; A161-S164 WeakPolarHBondContact O-CB 3.33Å; A161-S164 PolarHBondContact O-N 2.89Å; A161-S164 PolarHBondContact O-OG 2.71Å; L162-S164 PolarHBondContact O-N 3.45Å
165T84.5Confident79.9Confident101 Ų10144.3 Ų44.362%0.6229%0.289SS*.THydrogen-bonded Turntrans-96.8-4.5178.864.40000113.9A161 L162 I163A161-T165 PolarHBondContact O-N 3.38Å; L162-T165 PolarHBondContact O-N 3.03Å; L162-T165 PolarHBondContact O-OG1 3.11Å; I163-T165 PolarHBondContact O-N 3.42Å; I163-T165 VanDerWaalsContact O-N 3.14Å
166L82.4Confident78.7Confident20 Ų2043.6 Ų43.611%0.10528%0.282CS..  trans-69.9147.2178.9-67.7175.9000111.3I163 F168 A188 S190 T192 V195I163-L166 HydrophobicContact CG1-CD1 4.4Å; I163-L166 WeakPolarHBondContact O-CB 3.31Å; I163-L166 PolarHBondContact O-N 3.25Å; I163-L166 VanDerWaalsContact O-N 3.1Å; L166-F168 HydrophobicContact CB-CE1 3.9Å; L166-F168 HydrophobicContact CB-CE2 4.13Å; L166-F168 HydrophobicContact CB-CZ 3.54Å; L166-F168 HydrophobicContact CD1-CE1 4.27Å; L166-F168 HydrophobicContact CD1-CZ 4.3Å; L166-F168 WeakPolarHBondContact O-CE2 3.38Å; L166-A188 HydrophobicContact CD1-CB 4.2Å; L166-S190 WeakPolarHBondContact CA-OG 3.46Å; L166-S190 VanDerWaalsContact CD2-OG 3.27Å; L166-S190 WeakPolarHBondContact CD2-OG 3.17Å; L166-T192 HydrophobicContact CD2-CG2 4.49Å; L166-V195 HydrophobicContact CD1-CG2 4.24Å
167S78.9Confident77.5Confident73 Ų7343.5 Ų43.551%0.5128%0.281SS..  trans-100.9130.8170.9-57.90000109.8A188 C189 S190S167-A188 WeakPolarHBondContact O-CA 3.31Å; S167-C189 PolarHBondContact O-N 3.37Å; S167-S190 PolarHBondContact N-OG 2.95Å
168F77.6Confident76.4Confident25 Ų2541.3 Ų41.311%0.1127%0.266CS..BIsolated β-bridgetrans-110.2129.3-176.1-54.2-75000110.9F12 F94 L166 W184 L187 A188F12-F168 HydrophobicContact CZ-CD2 4.36Å; F12-F168 HydrophobicContact CZ-CG 4.4Å; F94-F168 HydrophobicContact CD2-CE2 4.2Å; F94-F168 HydrophobicContact CE2-CD2 4.37Å; F94-F168 AromaticContact CE2-CE2 3.5Å; F94-F168 HydrophobicContact CE2-CE2 3.5Å; F94-F168 HydrophobicContact CE2-CZ 4.09Å; F94-F168 HydrophobicContact CZ-CE2 4.33Å; L166-F168 HydrophobicContact CB-CE1 3.9Å; L166-F168 HydrophobicContact CB-CE2 4.13Å; L166-F168 HydrophobicContact CB-CZ 3.54Å; L166-F168 HydrophobicContact CD1-CE1 4.27Å; L166-F168 HydrophobicContact CD1-CZ 4.3Å; L166-F168 WeakPolarHBondContact O-CE2 3.38Å; F168-W184 HydrophobicContact CD1-CE3 4.08Å; F168-W184 HydrophobicContact CD1-CZ3 4.41Å; F168-W184 HydrophobicContact CD2-CZ3 4.29Å; F168-W184 HydrophobicContact CE1-CD2 4.4Å; F168-W184 AromaticContact CE1-CE3 3.3Å; F168-W184 HydrophobicContact CE1-CE3 3.3Å; F168-W184 AromaticContact CE1-CZ3 3.83Å; F168-W184 HydrophobicContact CE1-CZ3 3.83Å; F168-W184 HydrophobicContact CE2-CE3 4.01Å; F168-W184 AromaticContact CE2-CZ3 3.68Å; F168-W184 HydrophobicContact CE2-CZ3 3.68Å; F168-W184 HydrophobicContact CZ-CD2 4.37Å; F168-W184 AromaticContact CZ-CE3 3.22Å; F168-W184 HydrophobicContact CZ-CE3 3.22Å; F168-W184 AromaticContact CZ-CZ3 3.39Å; F168-W184 HydrophobicContact CZ-CZ3 3.39Å; F168-L187 HydrophobicContact CD1-CB 4.28Å; F168-A188 HydrophobicContact CD1-CB 4.21Å; F168-A188 HydrophobicContact CE1-CB 4.14Å
169C71.2Confident75.6Confident91 Ų9137.7 Ų37.762%0.61524%0.243SC*.  trans-1355.5172.42.60000113.9L187 C189C169-L187 PolarHBondContact N-O 3.47Å; C169-C189 WeakPolarHBondContact CA-SG 3.43Å; C169-C189 HydrophobicContact CB-CB 4.32Å; C169-C189 WeakPolarHBondContact CB-SG 3.33Å; C169-C189 PolarHBondContact N-SG 2.99Å; C169-C189 WeakPolarHBondContact SG-CB 3.46Å; C169-C189 CovalentContact SG-SG 2Å; C169-C189 PolarHBondContact SG-SG 3.43Å
170G65.8Low75.1Confident23 Ų2338.2 Ų38.224%0.23725%0.246CC..SBendtrans-67167.1165.700000112.1N172 L187G170-N172 PolarHBondContact O-N 2.8Å; G170-L187 PolarHBondContact N-O 3.45Å
171P63Low74.2Confident103 Ų10338.2 Ų38.267%0.66925%0.246SC*.  trans-54.7138.5168.125.8-32.9000108.4A173 L187P171-A173 PolarHBondContact O-N 2.88Å; P171-L187 WeakPolarHBondContact O-CD2 3.17Å
172N69Low73.1Confident60 Ų6038.5 Ų38.532%0.32125%0.247SC..SBendtrans-68.940.3-178.7-63.4-14.1000112.7Q10 D11 F12 I13 G170Q10-N172 PolarHBondContact NE2-OD1 3.3Å; D11-N172 VanDerWaalsContact O-CB 3.25Å; D11-N172 WeakPolarHBondContact O-CB 2.97Å; D11-N172 PolarHBondContact O-ND2 3.46Å; F12-N172 CarbonylContact C-O 3.19Å; F12-N172 WeakPolarHBondContact CA-O 3.02Å; F12-N172 HydrophobicContact CD1-CB 4.43Å; I13-N172 PolarHBondContact N-O 3.15Å; G170-N172 PolarHBondContact O-N 2.8Å
173A66.8Low72.1Confident34 Ų3437 Ų3728%0.28124%0.241SC..EExtended strand (participates in β ladder)trans-116.8117-175.500000110.6I13 L15 P171I13-A173 CarbonylContact O-C 3.53Å; I13-A173 WeakPolarHBondContact O-CA 3.33Å; L15-A173 HydrophobicContact CD1-CB 4.29Å; L15-A173 HydrophobicContact CG-CB 4.45Å; P171-A173 PolarHBondContact O-N 2.88Å
174I69.8Low71.3Confident1 Ų137 Ų371%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-97.2113.7175.1-68.7172.8000107.8F12 I13 L14 L15 H176 P183 L187F12-I174 HydrophobicContact CB-CD1 3.9Å; F12-I174 HydrophobicContact CB-CG1 4.41Å; F12-I174 HydrophobicContact CD1-CD1 3.9Å; F12-I174 HydrophobicContact CD1-CG1 4.11Å; F12-I174 HydrophobicContact CG-CD1 3.99Å; I13-I174 PolarHBondContact O-N 3.22Å; L14-I174 HydrophobicContact CD2-CB 3.88Å; L14-I174 HydrophobicContact CD2-CG2 3.55Å; L15-I174 PolarHBondContact N-O 2.92Å; I174-H176 HydrophobicContact CG2-CB 3.8Å; I174-H176 PolarHBondContact O-N 2.91Å; I174-P183 HydrophobicContact CB-CB 4.35Å; I174-P183 HydrophobicContact CG1-CB 4.24Å; I174-P183 HydrophobicContact CG2-CB 3.63Å; I174-P183 HydrophobicContact CG2-CG 3.88Å; I174-L187 HydrophobicContact CG1-CD1 3.77Å
175N67.2Low70.3Confident63 Ų6336.4 Ų36.434%0.33723%0.233SC..  trans-78.657177.1-166.810.5000112.2L15 L268 K272L15-N175 HydrophobicContact CD1-CB 4Å; N175-L268 HydrophobicContact CB-CD2 3.86Å; N175-L268 WeakPolarHBondContact ND2-CD2 3.37Å; N175-K272 WeakPolarHBondContact O-CE 3.44Å; N175-K272 PolarHBondContact O-NZ 3.44Å; N175-K272 PolarHBondContact OD1-NZ 3.27Å
176H66.3Low69.5Low6 Ų635.6 Ų35.63%0.02824%0.237CC..SBendtrans-149.4164.6-179.6-148.5-102.9000111.1L14 G16 I174 F178 P183 H275L14-H176 WeakPolarHBondContact CD2-O 3.5Å; G16-H176 PolarHBondContact N-O 2.89Å; I174-H176 HydrophobicContact CG2-CB 3.8Å; I174-H176 PolarHBondContact O-N 2.91Å; H176-F178 WeakPolarHBondContact CB-O 3.42Å; H176-F178 AromaticContact CE1-CD1 3.62Å; H176-F178 AromaticContact CE1-CE1 3.24Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.48Å; H176-F178 AromaticContact CE1-CZ 3.55Å; H176-F178 AromaticContact ND1-CD1 3.62Å; H176-F178 AromaticContact ND1-CE1 3.72Å; H176-F178 AromaticContact ND1-CG 3.94Å; H176-F178 PolarHBondContact ND1-O 2.88Å; H176-P183 HydrophobicContact CB-CG 4.13Å; H176-H275 AromaticContact NE2-CD2 3.9Å
177F66.4Low68.8Low5 Ų535.4 Ų35.42%0.02224%0.235CC..SBendtrans-93.1-9.618066-85.4000113.7F17 F31 A81 K272 H275 V276F17-F177 HydrophobicContact CD2-CB 4.45Å; F17-F177 HydrophobicContact CE2-CB 3.86Å; F17-F177 HydrophobicContact CE2-CD1 4.05Å; F17-F177 AromaticContact CE2-CG 3.96Å; F17-F177 HydrophobicContact CE2-CG 3.96Å; F17-F177 HydrophobicContact CZ-CB 4.45Å; F17-F177 AromaticContact CZ-CD1 3.79Å; F17-F177 HydrophobicContact CZ-CD1 3.79Å; F17-F177 HydrophobicContact CZ-CE1 4.26Å; F17-F177 HydrophobicContact CZ-CG 4.17Å; F31-F177 HydrophobicContact CE1-CD2 4.09Å; F31-F177 HydrophobicContact CE1-CE2 4.14Å; A81-F177 HydrophobicContact CB-CB 4.27Å; A81-F177 HydrophobicContact CB-CD2 3.98Å; F177-K272 HydrophobicContact CE1-CB 4.46Å; F177-H275 HydrophobicContact CE1-CB 4.06Å; F177-H275 HydrophobicContact CZ-CB 3.95Å; F177-V276 HydrophobicContact CE1-CG2 3.87Å; F177-V276 HydrophobicContact CE2-CG2 4.36Å; F177-V276 HydrophobicContact CZ-CG2 3.7Å
178F67.9Low68.6Low2 Ų232.9 Ų32.91%0.00922%0.219CC..SBendtrans-147.5167.9168.370.1-92.8000109.7V104 H176 D180 H275 T279V104-F178 HydrophobicContact CG1-CE2 4.49Å; H176-F178 WeakPolarHBondContact CB-O 3.42Å; H176-F178 AromaticContact CE1-CD1 3.62Å; H176-F178 AromaticContact CE1-CE1 3.24Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.48Å; H176-F178 AromaticContact CE1-CZ 3.55Å; H176-F178 AromaticContact ND1-CD1 3.62Å; H176-F178 AromaticContact ND1-CE1 3.72Å; H176-F178 AromaticContact ND1-CG 3.94Å; H176-F178 PolarHBondContact ND1-O 2.88Å; F178-D180 HydrophobicContact CD2-CB 4.43Å; F178-D180 HydrophobicContact CE2-CB 3.88Å; F178-D180 HydrophobicContact CZ-CB 4.38Å; F178-D180 PolarHBondContact O-N 2.92Å; F178-D180 VanDerWaalsContact O-N 3.15Å; F178-H275 HydrophobicContact CE1-CB 4.07Å; F178-H275 HydrophobicContact CZ-CB 4.42Å; F178-H275 AromaticContact CZ-ND1 3.77Å; F178-T279 HydrophobicContact CE1-CG2 4.24Å
179C73Confident68.5Low0 Ų035.3 Ų35.30%024%0.238CC..  trans-72.8101.5179.3-66.40000112.9C97 Q100 M101C97-C179 WeakPolarHBondContact CA-SG 3.19Å; C97-C179 HydrophobicContact CB-CB 4.01Å; C97-C179 WeakPolarHBondContact CB-SG 3.27Å; C97-C179 VanDerWaalsContact O-CB 3.23Å; C97-C179 WeakPolarHBondContact O-CB 3.24Å; C97-C179 WeakPolarHBondContact SG-CB 3.41Å; C97-C179 CovalentContact SG-SG 2.01Å; C97-C179 PolarHBondContact SG-SG 2.84Å; Q100-C179 HydrophobicContact CB-CB 4.49Å; M101-C179 HydrophobicContact CB-CB 4.31Å; M101-C179 WeakPolarHBondContact CB-O 3.02Å
180D74.8Confident68.9Low14 Ų1432.9 Ų32.98%0.07522%0.222CC..  trans-105.6158.6177.4-174.923.2000111.1F105 F178 P183 H275F105-D180 WeakPolarHBondContact CZ-OD1 3.2Å; F178-D180 HydrophobicContact CD2-CB 4.43Å; F178-D180 HydrophobicContact CE2-CB 3.88Å; F178-D180 HydrophobicContact CZ-CB 4.38Å; F178-D180 PolarHBondContact O-N 2.92Å; F178-D180 VanDerWaalsContact O-N 3.15Å; D180-P183 HydrophobicContact CB-CG 4.26Å; D180-P183 WeakPolarHBondContact O-CD 3.39Å; D180-H275 IonicContact OD2-NE2 3.86Å
181I68Low69.5Low19 Ų1936.1 Ų36.110%0.09724%0.241CC..Hα-helixtrans-67-40-177.6-62.1173.1000111.4M101 F105 I163 W184 I185 V195M101-I181 HydrophobicContact CG-CG1 4.23Å; M101-I181 HydrophobicContact SD-CG1 3.73Å; F105-I181 HydrophobicContact CD1-CD1 4.24Å; F105-I181 HydrophobicContact CE1-CD1 3.92Å; F105-I181 HydrophobicContact CE1-CG1 4.48Å; F105-I181 HydrophobicContact CE2-CD1 4.22Å; F105-I181 HydrophobicContact CE2-CG1 4Å; F105-I181 HydrophobicContact CZ-CD1 3.9Å; F105-I181 HydrophobicContact CZ-CG1 3.95Å; I163-I181 HydrophobicContact CD1-CG1 4.31Å; I163-I181 HydrophobicContact CD1-CG2 4.34Å; I181-W184 WeakPolarHBondContact O-CB 3.41Å; I181-W184 PolarHBondContact O-N 3.46Å; I181-W184 VanDerWaalsContact O-N 3.09Å; I181-I185 HydrophobicContact CG2-CD1 3.89Å; I181-I185 HydrophobicContact CG2-CG1 4.43Å; I181-I185 PolarHBondContact O-N 3.24Å; I181-V195 HydrophobicContact CG2-CG1 4.24Å
182A66.1Low70.5Confident58 Ų5832.3 Ų32.348%0.47922%0.216SC..Hα-helixtrans-60.5-43.5-176.300000113.6W184 I185 A186A182-W184 VanDerWaalsContact C-N 3.32Å; A182-W184 PolarHBondContact O-N 3.22Å; A182-I185 PolarHBondContact O-N 3.41Å; A182-A186 PolarHBondContact O-N 2.99Å; A182-A186 VanDerWaalsContact O-N 3.16Å
183P65.1Low71Confident20 Ų2035.2 Ų35.213%0.1323%0.228CC..Hα-helixtrans-59.5-33.6171-26.731.9000115.5I174 H176 D180 A186 L187I174-P183 HydrophobicContact CB-CB 4.35Å; I174-P183 HydrophobicContact CG1-CB 4.24Å; I174-P183 HydrophobicContact CG2-CB 3.63Å; I174-P183 HydrophobicContact CG2-CG 3.88Å; H176-P183 HydrophobicContact CB-CG 4.13Å; D180-P183 HydrophobicContact CB-CG 4.26Å; D180-P183 WeakPolarHBondContact O-CD 3.39Å; P183-A186 PolarHBondContact O-N 2.9Å; P183-L187 VanDerWaalsContact O-CG 3.27Å; P183-L187 WeakPolarHBondContact O-CG 3.42Å; P183-L187 PolarHBondContact O-N 2.87Å
184W69.2Low71.7Confident1 Ų136.1 Ų36.10%0.00424%0.235CC..Hα-helixtrans-66.9-41.2176.3-70.9106.5000111.8F12 F94 C97 I163 F168 I181 A182 A186 L187 A188F12-W184 HydrophobicContact CD2-CH2 4.29Å; F12-W184 HydrophobicContact CE1-CZ3 4.07Å; F12-W184 AromaticContact CE2-CH2 3.78Å; F12-W184 HydrophobicContact CE2-CH2 3.78Å; F12-W184 AromaticContact CE2-CZ3 3.82Å; F12-W184 HydrophobicContact CE2-CZ3 3.82Å; F12-W184 HydrophobicContact CZ-CE3 4.39Å; F12-W184 AromaticContact CZ-CH2 3.94Å; F12-W184 HydrophobicContact CZ-CH2 3.94Å; F12-W184 AromaticContact CZ-CZ3 3.48Å; F12-W184 HydrophobicContact CZ-CZ3 3.48Å; F12-W184 VanDerWaalsContact CZ-CZ3 3.48Å; F94-W184 AromaticContact CD2-CH2 3.23Å; F94-W184 HydrophobicContact CD2-CH2 3.23Å; F94-W184 HydrophobicContact CD2-CZ2 4.43Å; F94-W184 AromaticContact CD2-CZ3 3.49Å; F94-W184 HydrophobicContact CD2-CZ3 3.49Å; F94-W184 VanDerWaalsContact CD2-CZ3 3.49Å; F94-W184 HydrophobicContact CE2-CE3 4.43Å; F94-W184 AromaticContact CE2-CH2 3.33Å; F94-W184 HydrophobicContact CE2-CH2 3.33Å; F94-W184 HydrophobicContact CE2-CZ2 4.4Å; F94-W184 AromaticContact CE2-CZ3 3.35Å; F94-W184 HydrophobicContact CE2-CZ3 3.35Å; F94-W184 HydrophobicContact CG-CH2 4.26Å; F94-W184 HydrophobicContact CZ-CH2 4.46Å; C97-W184 HydrophobicContact CB-CH2 4.41Å; C97-W184 HydrophobicContact CB-CZ2 3.84Å; C97-W184 WeakPolarHBondContact SG-CZ2 3.45Å; I163-W184 HydrophobicContact CG2-CD2 4.1Å; I163-W184 HydrophobicContact CG2-CE3 4.41Å; I163-W184 HydrophobicContact CG2-CG 4.19Å; F168-W184 HydrophobicContact CD1-CE3 4.08Å; F168-W184 HydrophobicContact CD1-CZ3 4.41Å; F168-W184 HydrophobicContact CD2-CZ3 4.29Å; F168-W184 HydrophobicContact CE1-CD2 4.4Å; F168-W184 AromaticContact CE1-CE3 3.3Å; F168-W184 HydrophobicContact CE1-CE3 3.3Å; F168-W184 AromaticContact CE1-CZ3 3.83Å; F168-W184 HydrophobicContact CE1-CZ3 3.83Å; F168-W184 HydrophobicContact CE2-CE3 4.01Å; F168-W184 AromaticContact CE2-CZ3 3.68Å; F168-W184 HydrophobicContact CE2-CZ3 3.68Å; F168-W184 HydrophobicContact CZ-CD2 4.37Å; F168-W184 AromaticContact CZ-CE3 3.22Å; F168-W184 HydrophobicContact CZ-CE3 3.22Å; F168-W184 AromaticContact CZ-CZ3 3.39Å; F168-W184 HydrophobicContact CZ-CZ3 3.39Å; I181-W184 WeakPolarHBondContact O-CB 3.41Å; I181-W184 PolarHBondContact O-N 3.46Å; I181-W184 VanDerWaalsContact O-N 3.09Å; A182-W184 VanDerWaalsContact C-N 3.32Å; A182-W184 PolarHBondContact O-N 3.22Å; W184-A186 VanDerWaalsContact C-N 3.31Å; W184-A186 PolarHBondContact O-N 3.41Å; W184-L187 PolarHBondContact O-N 3.47Å; W184-A188 WeakPolarHBondContact O-CB 3.34Å; W184-A188 PolarHBondContact O-N 2.89Å; W184-A188 VanDerWaalsContact O-N 3.11Å
185I63.8Low72.3Confident45 Ų4536.2 Ų36.223%0.23124%0.236CC..Hα-helixtrans-60.5-43.2176.5-68.7165.2000110.4I181 A182 L187 T192 E196I181-I185 HydrophobicContact CG2-CD1 3.89Å; I181-I185 HydrophobicContact CG2-CG1 4.43Å; I181-I185 PolarHBondContact O-N 3.24Å; A182-I185 PolarHBondContact O-N 3.41Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.28Å; I185-T192 HydrophobicContact CB-CG2 4.32Å; I185-T192 HydrophobicContact CG1-CG2 4.36Å; I185-T192 HydrophobicContact CG2-CG2 4.09Å; I185-E196 HydrophobicContact CD1-CG 3.62Å; I185-E196 HydrophobicContact CG1-CG 4.3Å; I185-E196 WeakPolarHBondContact CG2-OE1 3.33Å
186A66.7Low72.8Confident85 Ų8537.2 Ų37.270%0.70224%0.239SC*.Hα-helixtrans-68.2-23.9-179.900000114.2A182 P183 W184A182-A186 PolarHBondContact O-N 2.99Å; A182-A186 VanDerWaalsContact O-N 3.16Å; P183-A186 PolarHBondContact O-N 2.9Å; W184-A186 VanDerWaalsContact C-N 3.31Å; W184-A186 PolarHBondContact O-N 3.41Å
187L68.4Low73.3Confident15 Ų1541.4 Ų41.48%0.07926%0.26CS..Hα-helixtrans-97.8-14.2-176.8-69.6175.7000114F12 F168 C169 G170 P171 I174 P183 W184 I185F12-L187 HydrophobicContact CD1-CD1 4.23Å; F12-L187 HydrophobicContact CE1-CD1 4.18Å; F168-L187 HydrophobicContact CD1-CB 4.28Å; C169-L187 PolarHBondContact N-O 3.47Å; G170-L187 PolarHBondContact N-O 3.45Å; P171-L187 WeakPolarHBondContact O-CD2 3.17Å; I174-L187 HydrophobicContact CG1-CD1 3.77Å; P183-L187 VanDerWaalsContact O-CG 3.27Å; P183-L187 WeakPolarHBondContact O-CG 3.42Å; P183-L187 PolarHBondContact O-N 2.87Å; W184-L187 PolarHBondContact O-N 3.47Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.28Å
188A74.8Confident74.1Confident21 Ų2143.1 Ų43.117%0.17427%0.271CS..BIsolated β-bridgetrans-75.9144.2-178.200000112L166 S167 F168 W184 T192L166-A188 HydrophobicContact CD1-CB 4.2Å; S167-A188 WeakPolarHBondContact O-CA 3.31Å; F168-A188 HydrophobicContact CD1-CB 4.21Å; F168-A188 HydrophobicContact CE1-CB 4.14Å; W184-A188 WeakPolarHBondContact O-CB 3.34Å; W184-A188 PolarHBondContact O-N 2.89Å; W184-A188 VanDerWaalsContact O-N 3.11Å; A188-T192 HydrophobicContact CB-CG2 3.59Å
189C75.8Confident74.7Confident76 Ų7644 Ų4451%0.51428%0.279SS..SBendtrans-104.3-23.8170.7-62.60000112.9S167 C169S167-C189 PolarHBondContact O-N 3.37Å; C169-C189 WeakPolarHBondContact CA-SG 3.43Å; C169-C189 HydrophobicContact CB-CB 4.32Å; C169-C189 WeakPolarHBondContact CB-SG 3.33Å; C169-C189 PolarHBondContact N-SG 2.99Å; C169-C189 WeakPolarHBondContact SG-CB 3.46Å; C169-C189 CovalentContact SG-SG 2Å; C169-C189 PolarHBondContact SG-SG 3.43Å
190S79Confident74.8Confident39 Ų3950.5 Ų50.527%0.27331%0.308SS..SBendtrans-74.3153169.252.70000110.2L166 S167 T192L166-S190 WeakPolarHBondContact CA-OG 3.46Å; L166-S190 VanDerWaalsContact CD2-OG 3.27Å; L166-S190 WeakPolarHBondContact CD2-OG 3.17Å; S167-S190 PolarHBondContact N-OG 2.95Å; S190-T192 PolarHBondContact O-N 3.34Å
191S79.5Confident75.1Confident92 Ų9253.5 Ų53.564%0.64333%0.326SS*.  trans-53.6123.8177.3-179.80000112
192T82.1Confident75.8Confident23 Ų2354 Ų5414%0.14133%0.329CS..  trans-92.2-3.6178.452.90000113L166 I185 A188 S190 A194 V195 E196L166-T192 HydrophobicContact CD2-CG2 4.49Å; I185-T192 HydrophobicContact CB-CG2 4.32Å; I185-T192 HydrophobicContact CG1-CG2 4.36Å; I185-T192 HydrophobicContact CG2-CG2 4.09Å; A188-T192 HydrophobicContact CB-CG2 3.59Å; S190-T192 PolarHBondContact O-N 3.34Å; T192-A194 VanDerWaalsContact C-N 3.27Å; T192-A194 PolarHBondContact O-N 2.99Å; T192-A194 VanDerWaalsContact O-N 3.16Å; T192-V195 WeakPolarHBondContact O-CA 3.49Å; T192-V195 WeakPolarHBondContact O-CB 3.25Å; T192-V195 PolarHBondContact O-N 3.48Å; T192-E196 WeakPolarHBondContact CB-OE1 3.29Å; T192-E196 PolarHBondContact O-N 3.16Å; T192-E196 PolarHBondContact OG1-OE1 3.34Å
193Q80.6Confident76.5Confident120 Ų12052.7 Ų52.756%0.56132%0.318SS*.Hα-helixtrans-55.6-40.5-170.9-170.8-178.52000112.8E196 I197Q193-E196 PolarHBondContact O-N 3.19Å; Q193-I197 HydrophobicContact CG-CD1 3.82Å; Q193-I197 HydrophobicContact CG-CG1 4.48Å; Q193-I197 WeakPolarHBondContact O-CB 3.47Å; Q193-I197 VanDerWaalsContact O-CG1 3.25Å; Q193-I197 WeakPolarHBondContact O-CG1 3.47Å; Q193-I197 PolarHBondContact O-N 3.11Å
194A82.4Confident77.1Confident53 Ų5357.2 Ų57.244%0.43834%0.336SS..Hα-helixtrans-65.1-41.1177.500000112.1L162 T192 V198L162-A194 HydrophobicContact CD1-CB 4.45Å; T192-A194 VanDerWaalsContact C-N 3.27Å; T192-A194 PolarHBondContact O-N 2.99Å; T192-A194 VanDerWaalsContact O-N 3.16Å; A194-V198 VanDerWaalsContact O-CB 3.25Å; A194-V198 WeakPolarHBondContact O-CB 3.09Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 3.48Å
195V82.3Confident77.9Confident3 Ų361 Ų612%0.01836%0.359CS..Hα-helixtrans-64.1-47.2177175.70000110.1L162 I163 L166 I181 T192 V198 A199L162-V195 HydrophobicContact CB-CG2 3.65Å; I163-V195 HydrophobicContact CD1-CG1 4.08Å; I163-V195 HydrophobicContact CG1-CG1 3.74Å; I163-V195 HydrophobicContact CG1-CG2 4.08Å; L166-V195 HydrophobicContact CD1-CG2 4.24Å; I181-V195 HydrophobicContact CG2-CG1 4.24Å; T192-V195 WeakPolarHBondContact O-CA 3.49Å; T192-V195 WeakPolarHBondContact O-CB 3.25Å; T192-V195 PolarHBondContact O-N 3.48Å; V195-V198 PolarHBondContact O-N 3.12Å; V195-A199 WeakPolarHBondContact O-CB 3.3Å; V195-A199 PolarHBondContact O-N 3.01Å
196E75.8Confident78.9Confident84 Ų8459.2 Ų59.239%0.39335%0.35SS..Hα-helixtrans-60.2-49.5179.4-74.1167.2-157.400112.2I185 T192 Q193 F200I185-E196 HydrophobicContact CD1-CG 3.62Å; I185-E196 HydrophobicContact CG1-CG 4.3Å; I185-E196 WeakPolarHBondContact CG2-OE1 3.33Å; T192-E196 WeakPolarHBondContact CB-OE1 3.29Å; T192-E196 PolarHBondContact O-N 3.16Å; T192-E196 PolarHBondContact OG1-OE1 3.34Å; Q193-E196 PolarHBondContact O-N 3.19Å; E196-F200 VanDerWaalsContact O-CB 3.22Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.46Å
197I76.9Confident79.6Confident95 Ų9556.7 Ų56.749%0.48732%0.324SS..Hα-helixtrans-62.7-47.9179.7-69.1170.2000110.4Q193 F200 V201Q193-I197 HydrophobicContact CG-CD1 3.82Å; Q193-I197 HydrophobicContact CG-CG1 4.48Å; Q193-I197 WeakPolarHBondContact O-CB 3.47Å; Q193-I197 VanDerWaalsContact O-CG1 3.25Å; Q193-I197 WeakPolarHBondContact O-CG1 3.47Å; Q193-I197 PolarHBondContact O-N 3.11Å; I197-F200 PolarHBondContact O-N 3.32Å; I197-V201 HydrophobicContact CG2-CG2 4.37Å; I197-V201 WeakPolarHBondContact O-CB 3.2Å; I197-V201 VanDerWaalsContact O-CG2 3.26Å; I197-V201 WeakPolarHBondContact O-CG2 3.48Å; I197-V201 PolarHBondContact O-N 3.41Å
198V83.8Confident80.2Confident40 Ų4059.2 Ų59.224%0.24234%0.337CS..Hα-helixtrans-65.3-45.3-178170.60000110.7V158 P159 L162 A194 V195 F200 V201 I202V158-V198 HydrophobicContact CG1-CG1 4.05Å; P159-V198 HydrophobicContact CG-CG1 4.05Å; L162-V198 HydrophobicContact CD1-CB 4.19Å; L162-V198 HydrophobicContact CD1-CG1 4.38Å; L162-V198 HydrophobicContact CD1-CG2 3.97Å; A194-V198 VanDerWaalsContact O-CB 3.25Å; A194-V198 WeakPolarHBondContact O-CB 3.09Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 3.48Å; V195-V198 PolarHBondContact O-N 3.12Å; V198-F200 PolarHBondContact O-N 2.86Å; V198-V201 PolarHBondContact O-N 2.56Å; V198-I202 HydrophobicContact CG1-CD1 3.56Å; V198-I202 HydrophobicContact CG1-CG1 4.48Å; V198-I202 WeakPolarHBondContact O-CB 3.48Å; V198-I202 WeakPolarHBondContact O-CD1 3.29Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.3Å
199A79.9Confident80.8Confident22 Ų2260.2 Ų60.218%0.18234%0.343CS..Hα-helixtrans-61.1-43.4176.500000111.8V195 I202 A203V195-A199 WeakPolarHBondContact O-CB 3.3Å; V195-A199 PolarHBondContact O-N 3.01Å; A199-I202 PolarHBondContact O-N 2.9Å; A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.36Å; A199-A203 PolarHBondContact O-N 3.37Å
200F76.9Confident81.4Confident136 Ų13656.6 Ų56.660%0.59632%0.319SS*.Hα-helixtrans-63.1-47176.8179.8-96000112.1E196 I197 V198 I202 A203 F204E196-F200 VanDerWaalsContact O-CB 3.22Å; E196-F200 WeakPolarHBondContact O-CB 3.31Å; E196-F200 PolarHBondContact O-N 3.46Å; I197-F200 PolarHBondContact O-N 3.32Å; V198-F200 PolarHBondContact O-N 2.86Å; F200-I202 VanDerWaalsContact C-N 3.34Å; F200-I202 PolarHBondContact O-N 3.11Å; F200-A203 PolarHBondContact O-N 2.78Å; F200-F204 VanDerWaalsContact O-CB 3.28Å; F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3.38Å
201V80.5Confident81.6Confident76 Ų7656.6 Ų56.646%0.46132%0.318SS..Hα-helixtrans-61.3-44.1177.9169.30000110.7I197 V198 F204 V205I197-V201 HydrophobicContact CG2-CG2 4.37Å; I197-V201 WeakPolarHBondContact O-CB 3.2Å; I197-V201 VanDerWaalsContact O-CG2 3.26Å; I197-V201 WeakPolarHBondContact O-CG2 3.48Å; I197-V201 PolarHBondContact O-N 3.41Å; V198-V201 PolarHBondContact O-N 2.56Å; V201-F204 PolarHBondContact O-N 2.89Å; V201-V205 HydrophobicContact CG1-CG2 4.33Å; V201-V205 WeakPolarHBondContact O-CB 3.18Å; V201-V205 VanDerWaalsContact O-CG2 3.24Å; V201-V205 WeakPolarHBondContact O-CG2 3.18Å; V201-V205 PolarHBondContact O-N 3.43Å
202I83.5Confident82Confident30 Ų3056 Ų5615%0.15431%0.307CS..Hα-helixtrans-63.6-48.9177.3-71.6159000110.8A155 I156 P159 V198 A199 F200 F204 V205 V206A155-I202 HydrophobicContact CB-CG2 4.02Å; A155-I202 WeakPolarHBondContact O-CD1 3.45Å; I156-I202 HydrophobicContact CD1-CG2 4.36Å; P159-I202 HydrophobicContact CG-CD1 3.38Å; V198-I202 HydrophobicContact CG1-CD1 3.56Å; V198-I202 HydrophobicContact CG1-CG1 4.48Å; V198-I202 WeakPolarHBondContact O-CB 3.48Å; V198-I202 WeakPolarHBondContact O-CD1 3.29Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.3Å; A199-I202 PolarHBondContact O-N 2.9Å; F200-I202 VanDerWaalsContact C-N 3.34Å; F200-I202 PolarHBondContact O-N 3.11Å; I202-F204 VanDerWaalsContact C-N 3.31Å; I202-F204 PolarHBondContact O-N 3.26Å; I202-V205 PolarHBondContact O-N 2.76Å; I202-V206 HydrophobicContact CG2-CG2 4.01Å; I202-V206 WeakPolarHBondContact O-CB 3.29Å; I202-V206 VanDerWaalsContact O-CG2 3.24Å; I202-V206 WeakPolarHBondContact O-CG2 3.36Å; I202-V206 PolarHBondContact O-N 3Å
203A79.1Confident82.4Confident30 Ų3058.7 Ų58.725%0.24832%0.32CS..Hα-helixtrans-57.3-47.3178.200000110.7A199 F200 I207A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.36Å; A199-A203 PolarHBondContact O-N 3.37Å; F200-A203 PolarHBondContact O-N 2.78Å; A203-I207 HydrophobicContact CB-CD1 4.34Å; A203-I207 WeakPolarHBondContact O-CB 3.4Å; A203-I207 WeakPolarHBondContact O-CD1 3.44Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.05Å
204F78.6Confident82.8Confident116 Ų11653.1 Ų53.151%0.50929%0.294SS..Hα-helixtrans-59.1-51.1176.8-176.6-96.3000111.7F200 V201 I202 L208F200-F204 VanDerWaalsContact O-CB 3.28Å; F200-F204 WeakPolarHBondContact O-CB 3.48Å; F200-F204 PolarHBondContact O-N 3.38Å; V201-F204 PolarHBondContact O-N 2.89Å; I202-F204 VanDerWaalsContact C-N 3.31Å; I202-F204 PolarHBondContact O-N 3.26Å; F204-L208 HydrophobicContact CD1-CD2 4.32Å; F204-L208 HydrophobicContact CE1-CD2 3.53Å; F204-L208 HydrophobicContact CE2-CD2 4.01Å; F204-L208 HydrophobicContact CZ-CD2 3.36Å; F204-L208 WeakPolarHBondContact O-CA 3.11Å; F204-L208 WeakPolarHBondContact O-CB 3.13Å; F204-L208 PolarHBondContact O-N 3.29Å
205V85.3Confident83.1Confident81 Ų8155.6 Ų55.649%0.49130%0.299SS..Hα-helixtrans-63.1-48.5-178.7169.70000111.4V201 I202 S209V201-V205 HydrophobicContact CG1-CG2 4.33Å; V201-V205 WeakPolarHBondContact O-CB 3.18Å; V201-V205 VanDerWaalsContact O-CG2 3.24Å; V201-V205 WeakPolarHBondContact O-CG2 3.18Å; V201-V205 PolarHBondContact O-N 3.43Å; I202-V205 PolarHBondContact O-N 2.76Å; V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 3.47Å; V205-S209 PolarHBondContact O-OG 3.04Å
206V85.4Confident83.5Confident6 Ų659.8 Ų59.84%0.03632%0.321CS..Hα-helixtrans-64.8-50.4-177.4173.30000110.9C109 Y112 F113 I202 S209 S210C109-V206 HydrophobicContact CB-CG1 4.26Å; Y112-V206 HydrophobicContact CD2-CG1 3.99Å; Y112-V206 HydrophobicContact CG-CG1 4.2Å; F113-V206 HydrophobicContact CE1-CG1 4.44Å; F113-V206 HydrophobicContact CE2-CG1 4.46Å; F113-V206 HydrophobicContact CE2-CG2 4.43Å; F113-V206 HydrophobicContact CZ-CB 4.41Å; F113-V206 HydrophobicContact CZ-CG1 4.14Å; F113-V206 HydrophobicContact CZ-CG2 3.93Å; I202-V206 HydrophobicContact CG2-CG2 4.01Å; I202-V206 WeakPolarHBondContact O-CB 3.29Å; I202-V206 VanDerWaalsContact O-CG2 3.24Å; I202-V206 WeakPolarHBondContact O-CG2 3.36Å; I202-V206 PolarHBondContact O-N 3Å; V206-S209 PolarHBondContact O-OG 3.38Å; V206-S210 VanDerWaalsContact O-CB 3.26Å; V206-S210 WeakPolarHBondContact O-CB 3.28Å; V206-S210 PolarHBondContact O-N 3.1Å; V206-S210 PolarHBondContact O-OG 3.14Å
207I80.6Confident84.3Confident33 Ų3356.1 Ų56.117%0.16930%0.304CS..Hα-helixtrans-68.8-48-177-63.1165.9000109.9Y112 A203 C211 Y252 T255Y112-I207 HydrophobicContact CE1-CG1 4.33Å; Y112-I207 HydrophobicContact CE2-CG1 4.27Å; A203-I207 HydrophobicContact CB-CD1 4.34Å; A203-I207 WeakPolarHBondContact O-CB 3.4Å; A203-I207 WeakPolarHBondContact O-CD1 3.44Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.05Å; I207-C211 WeakPolarHBondContact O-CB 3.29Å; I207-C211 PolarHBondContact O-N 3.11Å; I207-Y252 HydrophobicContact CG2-CD1 4.46Å; I207-T255 HydrophobicContact CD1-CG2 3.7Å; I207-T255 HydrophobicContact CG1-CG2 4.47Å
208L81.4Confident84.8Confident68 Ų6852.1 Ų52.136%0.35628%0.283SS..Hα-helixtrans-66.9-46.5-175.8-175.763.1000111.7F204 S210 C211 L212F204-L208 HydrophobicContact CD1-CD2 4.32Å; F204-L208 HydrophobicContact CE1-CD2 3.53Å; F204-L208 HydrophobicContact CE2-CD2 4.01Å; F204-L208 HydrophobicContact CZ-CD2 3.36Å; F204-L208 WeakPolarHBondContact O-CA 3.11Å; F204-L208 WeakPolarHBondContact O-CB 3.13Å; F204-L208 PolarHBondContact O-N 3.29Å; L208-S210 PolarHBondContact O-N 3.37Å; L208-C211 PolarHBondContact O-N 2.75Å; L208-L212 HydrophobicContact CD1-CD1 4.08Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CD2-CD1 4.49Å; L208-L212 HydrophobicContact CG-CD1 3.86Å; L208-L212 HydrophobicContact CG-CG 4.24Å; L208-L212 WeakPolarHBondContact O-CB 3.02Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.03Å
209S87.9Confident85.1Confident42 Ų4253.6 Ų53.629%0.29429%0.292SS..Hα-helixtrans-60.4-47.5179.760.80000111.5V205 V206 L212 I213V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 3.47Å; V205-S209 PolarHBondContact O-OG 3.04Å; V206-S209 PolarHBondContact O-OG 3.38Å; S209-L212 PolarHBondContact O-N 2.85Å; S209-I213 VanDerWaalsContact O-CG1 3.31Å; S209-I213 WeakPolarHBondContact O-CG1 3.25Å; S209-I213 PolarHBondContact O-N 3.35Å
210S88.2Confident85.7Confident0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-67.1-39.3-179.8-52.70000111.8Y112 F113 V206 L208 T214 Y252Y112-S210 WeakPolarHBondContact O-CB 3.31Å; F113-S210 WeakPolarHBondContact CD1-OG 3.49Å; V206-S210 VanDerWaalsContact O-CB 3.26Å; V206-S210 WeakPolarHBondContact O-CB 3.28Å; V206-S210 PolarHBondContact O-N 3.1Å; V206-S210 PolarHBondContact O-OG 3.14Å; L208-S210 PolarHBondContact O-N 3.37Å; S210-T214 WeakPolarHBondContact O-CB 3.49Å; S210-T214 PolarHBondContact O-N 2.87Å; S210-T214 PolarHBondContact O-OG1 2.91Å; S210-Y252 WeakPolarHBondContact CB-OH 3.34Å; S210-Y252 PolarHBondContact O-OH 3.27Å
211C83.8Confident86.4Confident38 Ų3852 Ų5226%0.25728%0.279SS..Hα-helixtrans-63.6-46.1175.3-174.80000111.5I207 L208 T214 L215 Y252I207-C211 WeakPolarHBondContact O-CB 3.29Å; I207-C211 PolarHBondContact O-N 3.11Å; L208-C211 PolarHBondContact O-N 2.75Å; C211-T214 PolarHBondContact O-N 2.72Å; C211-L215 VanDerWaalsContact O-CB 3.29Å; C211-L215 WeakPolarHBondContact O-CB 3.1Å; C211-L215 PolarHBondContact O-N 3.22Å; C211-Y252 HydrophobicContact CB-CD1 3.9Å; C211-Y252 HydrophobicContact CB-CE1 3.55Å; C211-Y252 PolarHBondContact N-OH 3.11Å
212L87.3Confident86.8Confident81 Ų8151.9 Ų51.942%0.42427%0.274SS..Hα-helixtrans-61.9-46.9178.8-75.2173.3000111.6L208 S209 T214 L215 I216L208-L212 HydrophobicContact CD1-CD1 4.08Å; L208-L212 HydrophobicContact CD1-CG 4.03Å; L208-L212 HydrophobicContact CD2-CD1 4.49Å; L208-L212 HydrophobicContact CG-CD1 3.86Å; L208-L212 HydrophobicContact CG-CG 4.24Å; L208-L212 WeakPolarHBondContact O-CB 3.02Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.03Å; S209-L212 PolarHBondContact O-N 2.85Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 2.97Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-I216 VanDerWaalsContact O-CB 3.29Å; L212-I216 WeakPolarHBondContact O-CB 3.44Å; L212-I216 WeakPolarHBondContact O-CD1 3.29Å; L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 3.32Å
213I91Very high87.1Confident78 Ų7854.1 Ų54.140%0.429%0.287SS..Hα-helixtrans-58.1-45.2176.6-68.1166.3000110.2A116 S209 S217A116-I213 HydrophobicContact CB-CB 4.18Å; A116-I213 HydrophobicContact CB-CD1 4.44Å; A116-I213 HydrophobicContact CB-CG2 4.01Å; S209-I213 VanDerWaalsContact O-CG1 3.31Å; S209-I213 WeakPolarHBondContact O-CG1 3.25Å; S209-I213 PolarHBondContact O-N 3.35Å; I213-S217 VanDerWaalsContact O-CB 3.24Å; I213-S217 WeakPolarHBondContact O-CB 3.29Å; I213-S217 PolarHBondContact O-N 3.28Å; I213-S217 PolarHBondContact O-OG 3.31Å
214T88.8Confident87.6Confident4 Ų454.8 Ų54.83%0.02529%0.288CS..Hα-helixtrans-64.7-49.4-180-56.40000111.4A119 S210 C211 L212 S217 Y218 V248A119-T214 HydrophobicContact CB-CG2 4.03Å; S210-T214 WeakPolarHBondContact O-CB 3.49Å; S210-T214 PolarHBondContact O-N 2.87Å; S210-T214 PolarHBondContact O-OG1 2.91Å; C211-T214 PolarHBondContact O-N 2.72Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 2.97Å; T214-S217 WeakPolarHBondContact O-CB 3.31Å; T214-S217 PolarHBondContact O-N 3.28Å; T214-Y218 HydrophobicContact CG2-CD2 3.88Å; T214-Y218 HydrophobicContact CG2-CE2 4.1Å; T214-Y218 WeakPolarHBondContact O-CD2 3.37Å; T214-Y218 PolarHBondContact O-N 3.42Å; T214-V248 HydrophobicContact CG2-CB 4.37Å; T214-V248 HydrophobicContact CG2-CG1 3.57Å; T214-V248 HydrophobicContact CG2-CG2 3.85Å
215L87.5Confident88.1Confident104 Ų10449.9 Ų49.955%0.54527%0.267SS..Hα-helixtrans-61.3-49.7-179.2-17865.9000111.2C211 L212 S217 Y218 V219C211-L215 VanDerWaalsContact O-CB 3.29Å; C211-L215 WeakPolarHBondContact O-CB 3.1Å; C211-L215 PolarHBondContact O-N 3.22Å; L212-L215 PolarHBondContact O-N 3.34Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.35Å; L215-Y218 PolarHBondContact O-N 3.22Å; L215-V219 HydrophobicContact CD1-CG2 4.41Å; L215-V219 HydrophobicContact CG-CG2 4.46Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.42Å; L215-V219 PolarHBondContact O-N 2.97Å
216I90.8Very high88.3Confident91 Ų9151.1 Ų51.147%0.46727%0.27SS..Hα-helixtrans-58.3-48.1178.4-68.7168.9000109.7L212 Y218 V219 Y220L212-I216 VanDerWaalsContact O-CB 3.29Å; L212-I216 WeakPolarHBondContact O-CB 3.44Å; L212-I216 WeakPolarHBondContact O-CD1 3.29Å; L212-I216 WeakPolarHBondContact O-CG1 3.48Å; L212-I216 PolarHBondContact O-N 3.32Å; I216-Y218 VanDerWaalsContact C-N 3.33Å; I216-Y218 PolarHBondContact O-N 3.39Å; I216-V219 PolarHBondContact O-N 3.44Å; I216-Y220 HydrophobicContact CG2-CD2 3.8Å; I216-Y220 HydrophobicContact CG2-CE2 3.62Å; I216-Y220 WeakPolarHBondContact O-CD2 3.37Å; I216-Y220 PolarHBondContact O-N 3.06Å; I216-Y220 VanDerWaalsContact O-N 3.12Å
217S92.8Very high88.5Confident7 Ų761.1 Ų61.15%0.04931%0.307CS..Hα-helixtrans-55.1-48.2177.3-63.50000111.6I213 T214 L215 Y220 I221I213-S217 VanDerWaalsContact O-CB 3.24Å; I213-S217 WeakPolarHBondContact O-CB 3.29Å; I213-S217 PolarHBondContact O-N 3.28Å; I213-S217 PolarHBondContact O-OG 3.31Å; T214-S217 WeakPolarHBondContact O-CB 3.31Å; T214-S217 PolarHBondContact O-N 3.28Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.35Å; S217-Y220 PolarHBondContact O-N 3.08Å; S217-I221 WeakPolarHBondContact O-CD1 3.37Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.1Å
218Y88.3Confident88.9Confident11 Ų1161.7 Ų61.74%0.04331%0.31CS..Hα-helixtrans-71.8-33.1-178.6-89-82000114.1A119 T214 L215 I216 Y220 I221 I222 C241 H244 L245A119-Y218 HydrophobicContact CB-CE2 4.29Å; T214-Y218 HydrophobicContact CG2-CD2 3.88Å; T214-Y218 HydrophobicContact CG2-CE2 4.1Å; T214-Y218 WeakPolarHBondContact O-CD2 3.37Å; T214-Y218 PolarHBondContact O-N 3.42Å; L215-Y218 PolarHBondContact O-N 3.22Å; I216-Y218 VanDerWaalsContact C-N 3.33Å; I216-Y218 PolarHBondContact O-N 3.39Å; Y218-Y220 VanDerWaalsContact C-N 3.34Å; Y218-I221 HydrophobicContact CD1-CD1 4.31Å; Y218-I221 HydrophobicContact CE1-CD1 4.47Å; Y218-I221 HydrophobicContact CG-CD1 4.47Å; Y218-I221 PolarHBondContact O-N 2.9Å; Y218-I222 WeakPolarHBondContact O-CB 2.89Å; Y218-I222 WeakPolarHBondContact O-CD1 3.41Å; Y218-I222 WeakPolarHBondContact O-CG1 3.24Å; Y218-I222 PolarHBondContact O-N 3.22Å; Y218-C241 HydrophobicContact CE1-CB 4.03Å; Y218-C241 PolarHBondContact OH-O 2.96Å; Y218-C241 VanDerWaalsContact OH-O 3.1Å; Y218-H244 AromaticContact CE2-CE1 3.99Å; Y218-H244 AromaticContact CE2-ND1 3.5Å; Y218-H244 WeakPolarHBondContact CE2-ND1 3.4Å; Y218-H244 AromaticContact CZ-ND1 3.58Å; Y218-H244 WeakPolarHBondContact OH-CB 3.3Å; Y218-H244 PolarHBondContact OH-ND1 2.94Å; Y218-L245 HydrophobicContact CD1-CD1 3.94Å; Y218-L245 HydrophobicContact CD2-CD1 4.47Å; Y218-L245 HydrophobicContact CE1-CB 3.82Å; Y218-L245 HydrophobicContact CE1-CD1 3.88Å; Y218-L245 HydrophobicContact CE1-CD2 4.36Å; Y218-L245 HydrophobicContact CE1-CG 4.23Å; Y218-L245 HydrophobicContact CE2-CD1 4.43Å; Y218-L245 HydrophobicContact CG-CD1 4.23Å; Y218-L245 PolarHBondContact OH-N 2.91Å; Y218-L245 VanDerWaalsContact OH-N 3.14Å
219V89.8Confident89.2Confident71 Ų7164.4 Ų64.443%0.4333%0.332SS..Hα-helixtrans-59.3-47.4171.7167.60000110L215 I216 I222 N223L215-V219 HydrophobicContact CD1-CG2 4.41Å; L215-V219 HydrophobicContact CG-CG2 4.46Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.42Å; L215-V219 PolarHBondContact O-N 2.97Å; I216-V219 PolarHBondContact O-N 3.44Å; V219-I222 PolarHBondContact O-N 2.7Å; V219-N223 WeakPolarHBondContact O-CB 3.33Å; V219-N223 VanDerWaalsContact O-CG 3.22Å; V219-N223 PolarHBondContact O-N 3.16Å; V219-N223 PolarHBondContact O-ND2 3.3Å
220Y92.6Very high89.3Confident126 Ų12665 Ų6549%0.49434%0.336SS..Hα-helixtrans-65.9-40.8176.3-77.3-69.8000113Y123 I216 S217 Y218 N223 T224Y123-Y220 HydrophobicContact CD2-CG 4.47Å; Y123-Y220 HydrophobicContact CE2-CD2 4.15Å; Y123-Y220 AromaticContact CE2-CG 3.94Å; Y123-Y220 HydrophobicContact CE2-CG 3.94Å; I216-Y220 HydrophobicContact CG2-CD2 3.8Å; I216-Y220 HydrophobicContact CG2-CE2 3.62Å; I216-Y220 WeakPolarHBondContact O-CD2 3.37Å; I216-Y220 PolarHBondContact O-N 3.06Å; I216-Y220 VanDerWaalsContact O-N 3.12Å; S217-Y220 PolarHBondContact O-N 3.08Å; Y218-Y220 VanDerWaalsContact C-N 3.34Å; Y220-N223 PolarHBondContact O-N 3.06Å; Y220-T224 WeakPolarHBondContact O-CB 3.04Å; Y220-T224 PolarHBondContact O-N 3.03Å; Y220-T224 PolarHBondContact O-OG1 2.85Å
221I91.1Very high89.1Confident0 Ų068.6 Ų68.60%037%0.366CS..Hα-helixtrans-59.3-50.6176.1-71.5163.1000110.2R122 I126 S217 Y218 N223 T224 I225R122-I221 HydrophobicContact CB-CD1 4.03Å; I126-I221 HydrophobicContact CD1-CG1 4.39Å; I126-I221 HydrophobicContact CD1-CG2 3.74Å; I126-I221 HydrophobicContact CG2-CG2 4.39Å; S217-I221 WeakPolarHBondContact O-CD1 3.37Å; S217-I221 WeakPolarHBondContact O-CG1 3.44Å; S217-I221 PolarHBondContact O-N 3.1Å; Y218-I221 HydrophobicContact CD1-CD1 4.31Å; Y218-I221 HydrophobicContact CE1-CD1 4.47Å; Y218-I221 HydrophobicContact CG-CD1 4.47Å; Y218-I221 PolarHBondContact O-N 2.9Å; I221-N223 PolarHBondContact O-N 3.49Å; I221-T224 PolarHBondContact O-N 3.09Å; I221-I225 HydrophobicContact CG2-CD1 3.66Å; I221-I225 HydrophobicContact CG2-CG1 4.34Å; I221-I225 VanDerWaalsContact O-CG1 3.29Å; I221-I225 WeakPolarHBondContact O-CG1 3.23Å; I221-I225 PolarHBondContact O-N 3.17Å
222I89.2Confident89.1Confident73 Ų7372.1 Ų72.137%0.37439%0.386SS..Hα-helixtrans-61.3-46.9-179.5-69.1165.5000110.1Y218 V219 T224 I225 L226Y218-I222 WeakPolarHBondContact O-CB 2.89Å; Y218-I222 WeakPolarHBondContact O-CD1 3.41Å; Y218-I222 WeakPolarHBondContact O-CG1 3.24Å; Y218-I222 PolarHBondContact O-N 3.22Å; V219-I222 PolarHBondContact O-N 2.7Å; I222-T224 VanDerWaalsContact C-N 3.27Å; I222-T224 PolarHBondContact O-N 3.42Å; I222-I225 PolarHBondContact O-N 3.23Å; I222-L226 HydrophobicContact CG2-CD1 3.95Å; I222-L226 HydrophobicContact CG2-CG 4.3Å; I222-L226 VanDerWaalsContact O-CG 3.32Å; I222-L226 WeakPolarHBondContact O-CG 3.34Å; I222-L226 PolarHBondContact O-N 3.32Å
223N89.9Confident88.8Confident76 Ų7669.5 Ų69.541%0.40638%0.378SS..Hα-helixtrans-57.2-41.7176.3-76.9-24.7000112.2V219 Y220 I221 R227V219-N223 WeakPolarHBondContact O-CB 3.33Å; V219-N223 VanDerWaalsContact O-CG 3.22Å; V219-N223 PolarHBondContact O-N 3.16Å; V219-N223 PolarHBondContact O-ND2 3.3Å; Y220-N223 PolarHBondContact O-N 3.06Å; I221-N223 PolarHBondContact O-N 3.49Å; N223-R227 WeakPolarHBondContact O-CG 3.21Å; N223-R227 PolarHBondContact O-N 2.92Å
224T89.9Confident88.4Confident45 Ų4570.7 Ų70.728%0.27638%0.378SS..Hα-helixtrans-67.3-43.6177.6-57.70000111.4I126 C127 Y220 I221 I222 L226 R227 I228I126-T224 HydrophobicContact CG2-CG2 4.11Å; C127-T224 PolarHBondContact SG-OG1 2.91Å; C127-T224 VanDerWaalsContact SG-OG1 3.35Å; Y220-T224 WeakPolarHBondContact O-CB 3.04Å; Y220-T224 PolarHBondContact O-N 3.03Å; Y220-T224 PolarHBondContact O-OG1 2.85Å; I221-T224 PolarHBondContact O-N 3.09Å; I222-T224 VanDerWaalsContact C-N 3.27Å; I222-T224 PolarHBondContact O-N 3.42Å; T224-L226 PolarHBondContact O-N 3.44Å; T224-R227 PolarHBondContact O-N 3.23Å; T224-I228 PolarHBondContact O-N 3.36Å
225I88.9Confident88Confident12 Ų1274.5 Ų74.56%0.06240%0.404CS..Hα-helixtrans-61.4-45.1177.4-69.1171.5000110.7I126 I221 I222 R227 I228 R234 A237 F238I126-I225 HydrophobicContact CG2-CG1 4.39Å; I221-I225 HydrophobicContact CG2-CD1 3.66Å; I221-I225 HydrophobicContact CG2-CG1 4.34Å; I221-I225 VanDerWaalsContact O-CG1 3.29Å; I221-I225 WeakPolarHBondContact O-CG1 3.23Å; I221-I225 PolarHBondContact O-N 3.17Å; I222-I225 PolarHBondContact O-N 3.23Å; I225-R227 PolarHBondContact O-N 3.13Å; I225-I228 VanDerWaalsContact O-CB 3.3Å; I225-I228 WeakPolarHBondContact O-CB 3.48Å; I225-I228 WeakPolarHBondContact O-CG1 3.44Å; I225-I228 PolarHBondContact O-N 3.36Å; I225-R234 HydrophobicContact CG2-CB 4.16Å; I225-R234 HydrophobicContact CG2-CG 4.3Å; I225-R234 WeakPolarHBondContact O-CG 3.47Å; I225-A237 HydrophobicContact CD1-CB 4.2Å; I225-A237 HydrophobicContact CG1-CB 3.88Å; I225-F238 HydrophobicContact CD1-CB 4.41Å; I225-F238 HydrophobicContact CD1-CD2 4.47Å
226L88.9Confident87.7Confident107 Ų10777.2 Ų77.256%0.5641%0.412SS*.Hα-helixtrans-61.2-31.4179.9-70.1174.6000112.7I222 T224 I228 R234I222-L226 HydrophobicContact CG2-CD1 3.95Å; I222-L226 HydrophobicContact CG2-CG 4.3Å; I222-L226 VanDerWaalsContact O-CG 3.32Å; I222-L226 WeakPolarHBondContact O-CG 3.34Å; I222-L226 PolarHBondContact O-N 3.32Å; T224-L226 PolarHBondContact O-N 3.44Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.14Å; L226-R234 PolarHBondContact O-NH2 2.92Å; L226-R234 VanDerWaalsContact O-NH2 3.08Å
227R90.6Very high87.2Confident216 Ų21673.8 Ų73.882%0.81540%0.397SS*.Hα-helixtrans-72.7-15.1175.7-70.9175.7-178.6-166.90.8114N223 T224 I225 P229N223-R227 WeakPolarHBondContact O-CG 3.21Å; N223-R227 PolarHBondContact O-N 2.92Å; T224-R227 PolarHBondContact O-N 3.23Å; I225-R227 PolarHBondContact O-N 3.13Å; R227-P229 WeakPolarHBondContact O-CD 3.4Å
228I89.2Confident86.5Confident46 Ų4678.3 Ų78.324%0.23642%0.416CS..  trans-66.4125.2175.6-60.6173.1000108.4T224 I225 L226 S230 R234 A237T224-I228 PolarHBondContact O-N 3.36Å; I225-I228 VanDerWaalsContact O-CB 3.3Å; I225-I228 WeakPolarHBondContact O-CB 3.48Å; I225-I228 WeakPolarHBondContact O-CG1 3.44Å; I225-I228 PolarHBondContact O-N 3.36Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.14Å; I228-S230 PolarHBondContact O-N 2.97Å; I228-R234 HydrophobicContact CB-CG 3.97Å; I228-R234 HydrophobicContact CG2-CG 4.33Å; I228-R234 PolarHBondContact O-NE 3.38Å; I228-R234 PolarHBondContact O-NH2 2.85Å; I228-A237 HydrophobicContact CD1-CB 3.97Å
229P86.1Confident85.9Confident125 Ų12581.1 Ų81.181%0.81244%0.438SS*.SBendtrans-73.7-26.2-175.725.4-32.6000113.5R227R227-P229 WeakPolarHBondContact O-CD 3.4Å
230S91.6Very high85.3Confident55 Ų5581 Ų8139%0.38544%0.437SS..  trans-88.9127.6-179170.50000112.4I228 T232 G233 R234I228-S230 PolarHBondContact O-N 2.97Å; S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact O-N 3.11Å; S230-T232 PolarHBondContact OG-N 3.18Å; S230-G233 PolarHBondContact O-N 2.77Å; S230-G233 VanDerWaalsContact O-N 3.12Å; S230-G233 PolarHBondContact OG-N 2.87Å; S230-R234 WeakPolarHBondContact O-CG 3.14Å; S230-R234 PolarHBondContact O-N 3.47Å
231A83.9Confident84.6Confident75 Ų7575.1 Ų75.162%0.6241%0.414SS*.Hα-helixtrans-58.7-38.5172.700000112.5R234 S235A231-R234 PolarHBondContact O-N 3Å; A231-S235 PolarHBondContact O-N 3Å
232T83.6Confident83.8Confident112 Ų11276.1 Ų76.169%0.68742%0.421SS*.Hα-helixtrans-65.2-40.9175.2-46.30000111.3S230 K236S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact O-N 3.11Å; S230-T232 PolarHBondContact OG-N 3.18Å; T232-K236 WeakPolarHBondContact O-CB 3.18Å; T232-K236 PolarHBondContact O-N 3.28Å
233G79.9Confident83.1Confident25 Ų2573 Ų7326%0.25841%0.406SS..Hα-helixtrans-62.6-43174.400000112.6S230 K236 A237S230-G233 PolarHBondContact O-N 2.77Å; S230-G233 VanDerWaalsContact O-N 3.12Å; S230-G233 PolarHBondContact OG-N 2.87Å; G233-K236 PolarHBondContact O-N 2.77Å; G233-A237 WeakPolarHBondContact O-CB 3.18Å; G233-A237 PolarHBondContact O-N 3.38Å
234R83.5Confident82.7Confident103 Ų10369.4 Ų69.439%0.38939%0.386SS..Hα-helixtrans-59.8-51.5175-69.7177.5-177.6162.42.5112.1I225 L226 I228 S230 A231 K236 A237 F238I225-R234 HydrophobicContact CG2-CB 4.16Å; I225-R234 HydrophobicContact CG2-CG 4.3Å; I225-R234 WeakPolarHBondContact O-CG 3.47Å; L226-R234 PolarHBondContact O-NH2 2.92Å; L226-R234 VanDerWaalsContact O-NH2 3.08Å; I228-R234 HydrophobicContact CB-CG 3.97Å; I228-R234 HydrophobicContact CG2-CG 4.33Å; I228-R234 PolarHBondContact O-NE 3.38Å; I228-R234 PolarHBondContact O-NH2 2.85Å; S230-R234 WeakPolarHBondContact O-CG 3.14Å; S230-R234 PolarHBondContact O-N 3.47Å; A231-R234 PolarHBondContact O-N 3Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.23Å; R234-A237 PolarHBondContact O-N 2.85Å; R234-F238 WeakPolarHBondContact O-CB 3.36Å; R234-F238 PolarHBondContact O-N 2.86Å
235S80.1Confident82.1Confident84 Ų8469 Ų6959%0.58738%0.383SS*.Hα-helixtrans-60.5-42.8-179.8179.30000111.5A231 F238 S239A231-S235 PolarHBondContact O-N 3Å; S235-F238 PolarHBondContact O-N 3.15Å; S235-S239 WeakPolarHBondContact O-CB 3.21Å; S235-S239 PolarHBondContact O-N 2.93Å
236K80.3Confident81.5Confident162 Ų16270.4 Ų70.470%0.70439%0.392SS*.Hα-helixtrans-62-47.1176.6-171.7176-179.3-1790111.8T232 G233 R234 S239 T240T232-K236 WeakPolarHBondContact O-CB 3.18Å; T232-K236 PolarHBondContact O-N 3.28Å; G233-K236 PolarHBondContact O-N 2.77Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.23Å; K236-S239 PolarHBondContact O-N 3.27Å; K236-T240 PolarHBondContact O-N 2.99Å
237A80.6Confident80.8Confident18 Ų1865.3 Ų65.315%0.14937%0.365CS..Hα-helixtrans-68.2-36.4179.800000113I225 I228 G233 R234 T240I225-A237 HydrophobicContact CD1-CB 4.2Å; I225-A237 HydrophobicContact CG1-CB 3.88Å; I228-A237 HydrophobicContact CD1-CB 3.97Å; G233-A237 WeakPolarHBondContact O-CB 3.18Å; G233-A237 PolarHBondContact O-N 3.38Å; R234-A237 PolarHBondContact O-N 2.85Å; A237-T240 PolarHBondContact O-N 2.86Å; A237-T240 PolarHBondContact O-OG1 2.01Å
238F79.2Confident80Confident102 Ų10255.6 Ų55.645%0.44733%0.33SS..Hα-helixtrans-68.9-37.4175-171.1-99000111.9I225 R234 S235 T240 C241 S242I225-F238 HydrophobicContact CD1-CB 4.41Å; I225-F238 HydrophobicContact CD1-CD2 4.47Å; R234-F238 WeakPolarHBondContact O-CB 3.36Å; R234-F238 PolarHBondContact O-N 2.86Å; S235-F238 PolarHBondContact O-N 3.15Å; F238-T240 PolarHBondContact O-N 2.76Å; F238-C241 PolarHBondContact O-N 3.5Å; F238-C241 PolarHBondContact O-SG 3.49Å; F238-C241 VanDerWaalsContact O-SG 3.33Å; F238-S242 WeakPolarHBondContact O-CB 2.99Å; F238-S242 PolarHBondContact O-N 3.46Å; F238-S242 VanDerWaalsContact O-N 3.08Å
239S76.1Confident79.4Confident71 Ų7158.9 Ų58.950%0.49735%0.347SS..Hα-helixtrans-60-30.9178.1-1750000112.7S235 K236 S242S235-S239 WeakPolarHBondContact O-CB 3.21Å; S235-S239 PolarHBondContact O-N 2.93Å; K236-S239 PolarHBondContact O-N 3.27Å; S239-S242 PolarHBondContact O-OG 2.61Å; S239-S242 VanDerWaalsContact O-OG 3.04Å
240T75.3Confident78.7Confident68 Ų6855 Ų5542%0.41732%0.319SS..Hα-helixtrans-75.7-20.8-177.560.60000114.1K236 A237 F238K236-T240 PolarHBondContact O-N 2.99Å; A237-T240 PolarHBondContact O-N 2.86Å; A237-T240 PolarHBondContact O-OG1 2.01Å; F238-T240 PolarHBondContact O-N 2.76Å
241C77.9Confident77.5Confident2 Ų252.8 Ų52.81%0.01430%0.302CS..Hα-helixtrans-110.5-9.1179.663.90000113.6I126 Y218 F238 S243 H244 L245I126-C241 HydrophobicContact CD1-CB 4.43Å; Y218-C241 HydrophobicContact CE1-CB 4.03Å; Y218-C241 PolarHBondContact OH-O 2.96Å; Y218-C241 VanDerWaalsContact OH-O 3.1Å; F238-C241 PolarHBondContact O-N 3.5Å; F238-C241 PolarHBondContact O-SG 3.49Å; F238-C241 VanDerWaalsContact O-SG 3.33Å; C241-S243 PolarHBondContact O-N 2.98Å; C241-H244 PolarHBondContact O-N 3.35Å; C241-L245 WeakPolarHBondContact O-CB 3.23Å; C241-L245 PolarHBondContact O-N 3.44Å
242S76.1Confident76.8Confident21 Ų2149.7 Ų49.715%0.14728%0.275CS..Hα-helixtrans-60.9-37-176.367.90000114.3F238 S239 T246F238-S242 WeakPolarHBondContact O-CB 2.99Å; F238-S242 PolarHBondContact O-N 3.46Å; F238-S242 VanDerWaalsContact O-N 3.08Å; S239-S242 PolarHBondContact O-OG 2.61Å; S239-S242 VanDerWaalsContact O-OG 3.04Å; S242-T246 WeakPolarHBondContact O-CB 3.4Å; S242-T246 PolarHBondContact O-N 3Å; S242-T246 PolarHBondContact O-OG1 3.11Å
243S74.4Confident75.9Confident8 Ų846.2 Ų46.26%0.05626%0.261CS..Hα-helixtrans-64.7-52.3177.148.70000110.8C241 L245 T246 V247 I289C241-S243 PolarHBondContact O-N 2.98Å; S243-L245 VanDerWaalsContact C-N 3.33Å; S243-L245 PolarHBondContact O-N 3.46Å; S243-T246 WeakPolarHBondContact O-CB 3.31Å; S243-T246 PolarHBondContact O-N 3.34Å; S243-T246 VanDerWaalsContact O-N 3.12Å; S243-V247 PolarHBondContact O-N 2.93Å; S243-V247 VanDerWaalsContact O-N 3.13Å; S243-I289 WeakPolarHBondContact CB-O 3.5Å; S243-I289 VanDerWaalsContact O-CG2 3.25Å; S243-I289 WeakPolarHBondContact O-CG2 3.42Å
244H81.5Confident75.3Confident0 Ų045.7 Ų45.70%025%0.253CS..Hα-helixtrans-60.3-41.8176.9-177.2-98.7000112M59 L115 M118 Y218 C241 T246 V247 V248 Y290M59-H244 HydrophobicContact CE-CB 4.14Å; L115-H244 PolarHBondContact O-CE1 2.9Å; L115-H244 PolarHBondContact O-NE2 3.29Å; L115-H244 VanDerWaalsContact O-NE2 3.15Å; M118-H244 WeakPolarHBondContact CB-NE2 2.94Å; Y218-H244 AromaticContact CE2-CE1 3.99Å; Y218-H244 AromaticContact CE2-ND1 3.5Å; Y218-H244 WeakPolarHBondContact CE2-ND1 3.4Å; Y218-H244 AromaticContact CZ-ND1 3.58Å; Y218-H244 WeakPolarHBondContact OH-CB 3.3Å; Y218-H244 PolarHBondContact OH-ND1 2.94Å; C241-H244 PolarHBondContact O-N 3.35Å; H244-T246 VanDerWaalsContact C-N 3.28Å; H244-T246 PolarHBondContact O-N 2.99Å; H244-V247 PolarHBondContact O-N 3.39Å; H244-V248 VanDerWaalsContact CE1-CG2 3.45Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.39Å; H244-V248 WeakPolarHBondContact O-CG2 3.24Å; H244-V248 PolarHBondContact O-N 3.44Å; H244-Y290 HydrophobicContact CB-CE1 4.37Å; H244-Y290 PolarHBondContact CD2-OH 2.88Å
245L77.3Confident74.3Confident38 Ų3841.3 Ų41.320%0.19924%0.238CC..Hα-helixtrans-62.6-37.1176.5-174.961.8000111.9Y218 C241 S243 V248 L249Y218-L245 HydrophobicContact CD1-CD1 3.94Å; Y218-L245 HydrophobicContact CD2-CD1 4.47Å; Y218-L245 HydrophobicContact CE1-CB 3.82Å; Y218-L245 HydrophobicContact CE1-CD1 3.88Å; Y218-L245 HydrophobicContact CE1-CD2 4.36Å; Y218-L245 HydrophobicContact CE1-CG 4.23Å; Y218-L245 HydrophobicContact CE2-CD1 4.43Å; Y218-L245 HydrophobicContact CG-CD1 4.23Å; Y218-L245 PolarHBondContact OH-N 2.91Å; Y218-L245 VanDerWaalsContact OH-N 3.14Å; C241-L245 WeakPolarHBondContact O-CB 3.23Å; C241-L245 PolarHBondContact O-N 3.44Å; S243-L245 VanDerWaalsContact C-N 3.33Å; S243-L245 PolarHBondContact O-N 3.46Å; L245-V248 PolarHBondContact O-N 2.94Å; L245-L249 HydrophobicContact CD1-CD1 4.41Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CG-CD1 4.04Å; L245-L249 HydrophobicContact CG-CG 4.38Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.19Å; L245-L249 PolarHBondContact O-N 3.36Å
246T76.3Confident73.5Confident41 Ų4141.4 Ų41.425%0.25223%0.231SC..Hα-helixtrans-63.1-45.2176.4-54.50000110.6S242 S243 H244 L249 I250 I289S242-T246 WeakPolarHBondContact O-CB 3.4Å; S242-T246 PolarHBondContact O-N 3Å; S242-T246 PolarHBondContact O-OG1 3.11Å; S243-T246 WeakPolarHBondContact O-CB 3.31Å; S243-T246 PolarHBondContact O-N 3.34Å; S243-T246 VanDerWaalsContact O-N 3.12Å; H244-T246 VanDerWaalsContact C-N 3.28Å; H244-T246 PolarHBondContact O-N 2.99Å; T246-L249 PolarHBondContact O-N 3.37Å; T246-I250 HydrophobicContact CG2-CD1 3.93Å; T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3.29Å; T246-I250 PolarHBondContact O-N 3.34Å; T246-I289 HydrophobicContact CG2-CD1 3.95Å; T246-I289 HydrophobicContact CG2-CG1 4.39Å
247V73.8Confident72.5Confident0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-63.3-46.9177.3175.80000111.4L115 S243 H244 L249 I250 W251 N286 I289 Y290L115-V247 HydrophobicContact CD2-CG1 3.88Å; S243-V247 PolarHBondContact O-N 2.93Å; S243-V247 VanDerWaalsContact O-N 3.13Å; H244-V247 PolarHBondContact O-N 3.39Å; V247-L249 VanDerWaalsContact C-N 3.34Å; V247-L249 PolarHBondContact O-N 3.34Å; V247-I250 PolarHBondContact O-N 3.46Å; V247-W251 WeakPolarHBondContact O-CB 3.33Å; V247-W251 PolarHBondContact O-N 3.22Å; V247-N286 VanDerWaalsContact CG1-OD1 3.29Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.36Å; V247-N286 VanDerWaalsContact CG2-OD1 3.25Å; V247-N286 WeakPolarHBondContact CG2-OD1 3.45Å; V247-I289 HydrophobicContact CG2-CB 4.22Å; V247-I289 HydrophobicContact CG2-CD1 3.93Å; V247-I289 HydrophobicContact CG2-CG2 3.78Å; V247-Y290 HydrophobicContact CB-CE2 4.44Å; V247-Y290 HydrophobicContact CG2-CD2 4.39Å; V247-Y290 HydrophobicContact CG2-CE2 3.6Å
248V74.4Confident71.3Confident12 Ų1239.6 Ų39.67%0.07322%0.221CC..Hα-helixtrans-56.2-47.8175.7165.70000111.1T214 H244 L245 I250 W251 Y252T214-V248 HydrophobicContact CG2-CB 4.37Å; T214-V248 HydrophobicContact CG2-CG1 3.57Å; T214-V248 HydrophobicContact CG2-CG2 3.85Å; H244-V248 VanDerWaalsContact CE1-CG2 3.45Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.39Å; H244-V248 WeakPolarHBondContact O-CG2 3.24Å; H244-V248 PolarHBondContact O-N 3.44Å; L245-V248 PolarHBondContact O-N 2.94Å; V248-I250 VanDerWaalsContact C-N 3.34Å; V248-I250 PolarHBondContact O-N 2.91Å; V248-W251 PolarHBondContact O-N 3.4Å; V248-Y252 HydrophobicContact CB-CD2 4.31Å; V248-Y252 HydrophobicContact CG1-CD2 3.65Å; V248-Y252 HydrophobicContact CG1-CE2 4.03Å; V248-Y252 WeakPolarHBondContact O-CB 3.37Å; V248-Y252 VanDerWaalsContact O-CD2 3.31Å; V248-Y252 WeakPolarHBondContact O-CD2 3.21Å; V248-Y252 PolarHBondContact O-N 3.07Å
249L76.1Confident69.9Low114 Ų11439 Ų3960%0.59722%0.219SC*.Hα-helixtrans-64.4-38.7-179.5-73.4171.6000112.4L245 T246 V247 G253L245-L249 HydrophobicContact CD1-CD1 4.41Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CG-CD1 4.04Å; L245-L249 HydrophobicContact CG-CG 4.38Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.19Å; L245-L249 PolarHBondContact O-N 3.36Å; T246-L249 PolarHBondContact O-N 3.37Å; V247-L249 VanDerWaalsContact C-N 3.34Å; V247-L249 PolarHBondContact O-N 3.34Å; L249-G253 VanDerWaalsContact O-CA 3.24Å; L249-G253 WeakPolarHBondContact O-CA 3.22Å; L249-G253 PolarHBondContact O-N 2.91Å
250I70.3Confident68.6Low44 Ų4440 Ų4023%0.22622%0.223CC..Hα-helixtrans-67.2-49176.3-67.6166.9000110.1T246 V247 V248 S254 T282 L285 I289T246-I250 HydrophobicContact CG2-CD1 3.93Å; T246-I250 VanDerWaalsContact O-CG1 3.28Å; T246-I250 WeakPolarHBondContact O-CG1 3.29Å; T246-I250 PolarHBondContact O-N 3.34Å; V247-I250 PolarHBondContact O-N 3.46Å; V248-I250 VanDerWaalsContact C-N 3.34Å; V248-I250 PolarHBondContact O-N 2.91Å; I250-S254 WeakPolarHBondContact O-CB 3.38Å; I250-S254 PolarHBondContact O-N 3.45Å; I250-S254 PolarHBondContact O-OG 2.83Å; I250-T282 HydrophobicContact CG2-CG2 4.05Å; I250-L285 HydrophobicContact CD1-CD1 4.13Å; I250-I289 HydrophobicContact CD1-CD1 3.91Å
251W68Low67Low8 Ų842.8 Ų42.83%0.0323%0.226CC..Hα-helixtrans-68.6-55.7-174.7-162.5-107.4000112.3E111 Y112 L115 V247 V248 T255 N278 T282E111-W251 VanDerWaalsContact CD-CE2 3.49Å; E111-W251 VanDerWaalsContact CD-CH2 3.49Å; E111-W251 HydrophobicContact CG-CZ2 4.1Å; E111-W251 WeakPolarHBondContact OE2-CH2 3.48Å; E111-W251 WeakPolarHBondContact OE2-CZ2 3.14Å; Y112-W251 AromaticContact CD1-CD1 3.83Å; Y112-W251 AromaticContact CD1-NE1 3.83Å; Y112-W251 AromaticContact CE1-CD1 3.32Å; Y112-W251 AromaticContact CE1-NE1 3.39Å; Y112-W251 AromaticContact CE2-NE1 3.64Å; Y112-W251 AromaticContact CZ-CD1 3.66Å; Y112-W251 AromaticContact CZ-NE1 3.26Å; Y112-W251 VanDerWaalsContact CZ-NE1 3.26Å; L115-W251 HydrophobicContact CD1-CB 4.3Å; L115-W251 HydrophobicContact CD1-CG 4.11Å; V247-W251 WeakPolarHBondContact O-CB 3.33Å; V247-W251 PolarHBondContact O-N 3.22Å; V248-W251 PolarHBondContact O-N 3.4Å; W251-T255 PolarHBondContact O-N 3.1Å; W251-T255 PolarHBondContact O-OG1 2.85Å; W251-T255 VanDerWaalsContact O-OG1 3.11Å; W251-N278 HydrophobicContact CZ3-CB 4.41Å; W251-N278 WeakPolarHBondContact CZ3-O 3.26Å; W251-T282 HydrophobicContact CE3-CG2 3.41Å; W251-T282 VanDerWaalsContact CE3-CG2 3.41Å; W251-T282 HydrophobicContact CZ3-CG2 3.75Å
252Y68.1Low65.3Low11 Ų1146.1 Ų46.14%0.04325%0.246CC..Hα-helixtrans-69.2-37.8179-72.5-85.7000112Y112 I207 S210 C211 V248 S254 T255 I256Y112-Y252 HydrophobicContact CD1-CD1 4.44Å; Y112-Y252 AromaticContact CD1-CE1 3.71Å; Y112-Y252 HydrophobicContact CD1-CE1 3.71Å; Y112-Y252 AromaticContact CD1-CZ 3.77Å; Y112-Y252 HydrophobicContact CE1-CD1 4.1Å; Y112-Y252 AromaticContact CE1-CE1 3.82Å; Y112-Y252 HydrophobicContact CE1-CE1 3.82Å; I207-Y252 HydrophobicContact CG2-CD1 4.46Å; S210-Y252 WeakPolarHBondContact CB-OH 3.34Å; S210-Y252 PolarHBondContact O-OH 3.27Å; C211-Y252 HydrophobicContact CB-CD1 3.9Å; C211-Y252 HydrophobicContact CB-CE1 3.55Å; C211-Y252 PolarHBondContact N-OH 3.11Å; V248-Y252 HydrophobicContact CB-CD2 4.31Å; V248-Y252 HydrophobicContact CG1-CD2 3.65Å; V248-Y252 HydrophobicContact CG1-CE2 4.03Å; V248-Y252 WeakPolarHBondContact O-CB 3.37Å; V248-Y252 VanDerWaalsContact O-CD2 3.31Å; V248-Y252 WeakPolarHBondContact O-CD2 3.21Å; V248-Y252 PolarHBondContact O-N 3.07Å; Y252-S254 VanDerWaalsContact C-N 3.35Å; Y252-S254 PolarHBondContact O-N 3.17Å; Y252-T255 PolarHBondContact O-N 3.24Å; Y252-I256 WeakPolarHBondContact O-CB 3.35Å; Y252-I256 VanDerWaalsContact O-CG1 3.24Å; Y252-I256 WeakPolarHBondContact O-CG1 3.18Å; Y252-I256 PolarHBondContact O-N 3.17Å
253G65.3Low63.7Low38 Ų3850 Ų5039%0.39227%0.273SS..Hα-helixtrans-62.1-4217800000112.4L249 F257L249-G253 VanDerWaalsContact O-CA 3.24Å; L249-G253 WeakPolarHBondContact O-CA 3.22Å; L249-G253 PolarHBondContact O-N 2.91Å; G253-F257 VanDerWaalsContact O-CB 3.29Å; G253-F257 WeakPolarHBondContact O-CB 3.32Å; G253-F257 PolarHBondContact O-N 2.8Å
254S66.6Low62.1Low15 Ų1554.3 Ų54.311%0.10529%0.294CS..Hα-helixtrans-66.4-41.3177-58.50000111.8I250 Y252 L258 L277 N278I250-S254 WeakPolarHBondContact O-CB 3.38Å; I250-S254 PolarHBondContact O-N 3.45Å; I250-S254 PolarHBondContact O-OG 2.83Å; Y252-S254 VanDerWaalsContact C-N 3.35Å; Y252-S254 PolarHBondContact O-N 3.17Å; S254-L258 PolarHBondContact O-N 3.48Å; S254-L258 VanDerWaalsContact O-N 3.11Å; S254-L277 WeakPolarHBondContact OG-CD2 3.31Å; S254-N278 WeakPolarHBondContact CB-OD1 2.96Å
255T62.6Low60.3Low10 Ų1063.8 Ų63.86%0.06134%0.336CS..Hα-helixtrans-70.5-39.8179.2-58.80000113.4Y112 I207 W251 Y252 L258 H259Y112-T255 WeakPolarHBondContact OH-CB 3.35Å; Y112-T255 WeakPolarHBondContact OH-CG2 3.21Å; Y112-T255 PolarHBondContact OH-OG1 2.79Å; I207-T255 HydrophobicContact CD1-CG2 3.7Å; I207-T255 HydrophobicContact CG1-CG2 4.47Å; W251-T255 PolarHBondContact O-N 3.1Å; W251-T255 PolarHBondContact O-OG1 2.85Å; W251-T255 VanDerWaalsContact O-OG1 3.11Å; Y252-T255 PolarHBondContact O-N 3.24Å; T255-L258 WeakPolarHBondContact O-CB 3.44Å; T255-L258 PolarHBondContact O-N 2.85Å; T255-H259 PolarHBondContact O-N 2.87Å; T255-H259 VanDerWaalsContact O-N 3.13Å; T255-H259 PolarHBondContact O-ND1 2.71Å
256I63.7Low58.8Low87 Ų8769.2 Ų69.245%0.44637%0.365SS..Hα-helixtrans-67.1-42.1176-68.6167000110.2Y252 L258 H259 V260Y252-I256 WeakPolarHBondContact O-CB 3.35Å; Y252-I256 VanDerWaalsContact O-CG1 3.24Å; Y252-I256 WeakPolarHBondContact O-CG1 3.18Å; Y252-I256 PolarHBondContact O-N 3.17Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 3.36Å; I256-H259 PolarHBondContact O-N 3.27Å; I256-V260 HydrophobicContact CG2-CG2 4.05Å; I256-V260 WeakPolarHBondContact O-CG2 3.36Å; I256-V260 PolarHBondContact O-N 3.4Å
257F58.9Low57.7Low111 Ų11172.1 Ų72.149%0.48738%0.379SS..Hα-helixtrans-57.7-41.7175.1-177.3-98.7000111.4G253 R261 V274G253-F257 VanDerWaalsContact O-CB 3.29Å; G253-F257 WeakPolarHBondContact O-CB 3.32Å; G253-F257 PolarHBondContact O-N 2.8Å; F257-R261 HydrophobicContact CE2-CG 4.47Å; F257-R261 HydrophobicContact CZ-CG 4.35Å; F257-R261 WeakPolarHBondContact O-CB 3.33Å; F257-R261 PolarHBondContact O-N 3.45Å; F257-V274 HydrophobicContact CD1-CG2 4.43Å
258L54.6Low56.7Low30 Ų3076.5 Ų76.516%0.15740%0.402CS..Hα-helixtrans-58.4-51.7174.8-166.4104.6000111.8S254 T255 I256 R261 T262 V274S254-L258 PolarHBondContact O-N 3.48Å; S254-L258 VanDerWaalsContact O-N 3.11Å; T255-L258 WeakPolarHBondContact O-CB 3.44Å; T255-L258 PolarHBondContact O-N 2.85Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 3.36Å; L258-R261 PolarHBondContact O-N 2.87Å; L258-T262 WeakPolarHBondContact O-CG2 3.29Å; L258-T262 PolarHBondContact O-N 3.25Å; L258-T262 VanDerWaalsContact O-N 3.11Å; L258-T262 PolarHBondContact O-OG1 3.08Å; L258-V274 HydrophobicContact CB-CG1 4.27Å; L258-V274 HydrophobicContact CD1-CB 3.6Å; L258-V274 HydrophobicContact CD1-CG1 3.46Å; L258-V274 VanDerWaalsContact CD1-CG1 3.46Å; L258-V274 HydrophobicContact CD1-CG2 4.25Å; L258-V274 HydrophobicContact CG-CG1 4.49Å
259H50.6Low55.8Low89 Ų8980.4 Ų80.441%0.41242%0.422SS..Hα-helixtrans-72.7-31.1-174-76.363.7000114T255 I256 T262T255-H259 PolarHBondContact O-N 2.87Å; T255-H259 VanDerWaalsContact O-N 3.13Å; T255-H259 PolarHBondContact O-ND1 2.71Å; I256-H259 PolarHBondContact O-N 3.27Å; H259-T262 PolarHBondContact O-OG1 2.89Å; H259-T262 VanDerWaalsContact O-OG1 3.1Å
260V48Very low54.6Low93 Ų9379 Ų7956%0.56442%0.415SS*.Hα-helixtrans-76.1-32.5178.2173.80000111.2I256I256-V260 HydrophobicContact CG2-CG2 4.05Å; I256-V260 WeakPolarHBondContact O-CG2 3.36Å; I256-V260 PolarHBondContact O-N 3.4Å
261R42.5Very low53.9Low127 Ų12778.8 Ų78.848%0.47942%0.416SS..Hα-helixtrans-85.9-26.4-179.3-99-78.1-150.9-170.62.8114.5F257 L258 S263 I264F257-R261 HydrophobicContact CE2-CG 4.47Å; F257-R261 HydrophobicContact CZ-CG 4.35Å; F257-R261 WeakPolarHBondContact O-CB 3.33Å; F257-R261 PolarHBondContact O-N 3.45Å; L258-R261 PolarHBondContact O-N 2.87Å; R261-S263 PolarHBondContact O-N 2.81Å; R261-S263 VanDerWaalsContact O-N 3.17Å; R261-I264 CarbonylContact O-C 3.46Å; R261-I264 WeakPolarHBondContact O-CA 3.24Å; R261-I264 PolarHBondContact O-N 3.13Å
262T41.7Very low53.4Low72 Ų7278.5 Ų78.544%0.44242%0.415SS..THydrogen-bonded Turntrans-61.3-18.6169.948.80000112.2L258 H259 I264L258-T262 WeakPolarHBondContact O-CG2 3.29Å; L258-T262 PolarHBondContact O-N 3.25Å; L258-T262 VanDerWaalsContact O-N 3.11Å; L258-T262 PolarHBondContact O-OG1 3.08Å; H259-T262 PolarHBondContact O-OG1 2.89Å; H259-T262 VanDerWaalsContact O-OG1 3.1Å; T262-I264 VanDerWaalsContact C-N 3.27Å; T262-I264 PolarHBondContact O-N 3.12Å
263S42.4Very low52.7Low103 Ų10380.6 Ų80.672%0.7243%0.434SS*.THydrogen-bonded Turntrans-75-9.9167.7-171.80000114.2R261R261-S263 PolarHBondContact O-N 2.81Å; R261-S263 VanDerWaalsContact O-N 3.17Å
264I42.4Very low52.2Low97 Ų9779.4 Ų79.450%0.49742%0.419SS..SBendtrans-125.575-174-50.5177.2000109.2R261 T262R261-I264 CarbonylContact O-C 3.46Å; R261-I264 WeakPolarHBondContact O-CA 3.24Å; R261-I264 PolarHBondContact O-N 3.13Å; T262-I264 VanDerWaalsContact C-N 3.27Å; T262-I264 PolarHBondContact O-N 3.12Å
265K41.6Very low52Low200 Ų20080.1 Ų80.187%0.8742%0.421SS*.  trans58.7114.6174.1-79.3-179.4173179.90115.8D267K265-D267 PolarHBondContact O-N 3.26Å
266D47.9Very low51.7Low152 Ų15280.7 Ų80.781%0.81342%0.424SS*.  trans-54.1115.9176.3-63.7-50.5000113.1
267D52.5Low51.4Low101 Ų10179.9 Ų79.954%0.5442%0.42SS..  trans-126.4107.5160.8-166.9-1.3000108.9K265 D269 L270K265-D267 PolarHBondContact O-N 3.26Å; D267-D269 PolarHBondContact O-N 2.87Å; D267-L270 PolarHBondContact O-N 3.49Å
268L53.3Low51.5Low93 Ų9375.3 Ų75.349%0.48740%0.401SS..Hα-helixtrans-61-26-171.8-148.488.2000112.4N175 K272N175-L268 HydrophobicContact CB-CD2 3.86Å; N175-L268 WeakPolarHBondContact ND2-CD2 3.37Å; L268-K272 WeakPolarHBondContact O-CG 3.39Å; L268-K272 PolarHBondContact O-N 3.28Å
269D54.7Low51.7Low93 Ų9373.9 Ų73.950%0.49739%0.394SS..Hα-helixtrans-75-28.4-178.7-72.8-23.9000112.7D267 A273D267-D269 PolarHBondContact O-N 2.87Å; D269-A273 PolarHBondContact O-N 3Å; D269-A273 VanDerWaalsContact O-N 3.16Å
270L50.6Low52.2Low84 Ų8469.8 Ų69.844%0.4438%0.375SS..Hα-helixtrans-76.8-38.4176.4-163.578.5000111.7D267 K272 A273 V274D267-L270 PolarHBondContact O-N 3.49Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.17Å; L270-A273 WeakPolarHBondContact O-CB 3.37Å; L270-A273 PolarHBondContact O-N 3.24Å; L270-A273 VanDerWaalsContact O-N 3.12Å; L270-V274 WeakPolarHBondContact O-CG2 3.15Å; L270-V274 PolarHBondContact O-N 3.29Å
271T56.4Low52.7Low41 Ų4167.5 Ų67.525%0.25236%0.361SS..Hα-helixtrans-58.6-43.7173.3-60.10000110.7A273 V274 H275T271-A273 PolarHBondContact O-N 2.65Å; T271-V274 PolarHBondContact O-N 3.16Å; T271-H275 PolarHBondContact O-CD2 3.02Å; T271-H275 PolarHBondContact O-N 2.95Å
272K56.4Low53.8Low2 Ų261.5 Ų61.51%0.00934%0.338CS..Hα-helixtrans-59.4-45.5172.1-70.9175.3-175.6-177.30112.2G16 F17 N175 F177 L268 L270 V274 H275 V276G16-K272 PolarHBondContact O-NZ 3.29Å; G16-K272 VanDerWaalsContact O-NZ 3.11Å; F17-K272 HydrophobicContact CE1-CB 4.37Å; N175-K272 WeakPolarHBondContact O-CE 3.44Å; N175-K272 PolarHBondContact O-NZ 3.44Å; N175-K272 PolarHBondContact OD1-NZ 3.27Å; F177-K272 HydrophobicContact CE1-CB 4.46Å; L268-K272 WeakPolarHBondContact O-CG 3.39Å; L268-K272 PolarHBondContact O-N 3.28Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.17Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.38Å; K272-H275 PolarHBondContact O-N 3.39Å; K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.45Å; K272-V276 PolarHBondContact O-N 3.46Å
273A53Low54.8Low54 Ų5458 Ų5845%0.44632%0.317SS..Hα-helixtrans-62-39.2179.900000112.9D269 L270 T271 V276 L277D269-A273 PolarHBondContact O-N 3Å; D269-A273 VanDerWaalsContact O-N 3.16Å; L270-A273 WeakPolarHBondContact O-CB 3.37Å; L270-A273 PolarHBondContact O-N 3.24Å; L270-A273 VanDerWaalsContact O-N 3.12Å; T271-A273 PolarHBondContact O-N 2.65Å; A273-V276 WeakPolarHBondContact O-CB 3.44Å; A273-V276 PolarHBondContact O-N 3.16Å; A273-L277 PolarHBondContact O-N 3.46Å
274V54.8Low55.8Low13 Ų1354 Ų548%0.07929%0.288CS..Hα-helixtrans-73.1-38.1176.2179.40000111.5F257 L258 L270 T271 K272 V276 L277 N278F257-V274 HydrophobicContact CD1-CG2 4.43Å; L258-V274 HydrophobicContact CB-CG1 4.27Å; L258-V274 HydrophobicContact CD1-CB 3.6Å; L258-V274 HydrophobicContact CD1-CG1 3.46Å; L258-V274 VanDerWaalsContact CD1-CG1 3.46Å; L258-V274 HydrophobicContact CD1-CG2 4.25Å; L258-V274 HydrophobicContact CG-CG1 4.49Å; L270-V274 WeakPolarHBondContact O-CG2 3.15Å; L270-V274 PolarHBondContact O-N 3.29Å; T271-V274 PolarHBondContact O-N 3.16Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.38Å; V274-V276 VanDerWaalsContact C-N 3.27Å; V274-V276 PolarHBondContact O-N 3.43Å; V274-L277 WeakPolarHBondContact O-CB 3.41Å; V274-L277 PolarHBondContact O-N 3.09Å; V274-L277 VanDerWaalsContact O-N 3.13Å; V274-N278 PolarHBondContact O-N 2.88Å
275H62.7Low56.8Low30 Ų3052.3 Ų52.314%0.13928%0.28CS..Hα-helixtrans-60.1-39.1169.8-82.3-66.1000111.4H176 F177 F178 D180 T271 K272 L277 N278 T279H176-H275 AromaticContact NE2-CD2 3.9Å; F177-H275 HydrophobicContact CE1-CB 4.06Å; F177-H275 HydrophobicContact CZ-CB 3.95Å; F178-H275 HydrophobicContact CE1-CB 4.07Å; F178-H275 HydrophobicContact CZ-CB 4.42Å; F178-H275 AromaticContact CZ-ND1 3.77Å; D180-H275 IonicContact OD2-NE2 3.86Å; T271-H275 PolarHBondContact O-CD2 3.02Å; T271-H275 PolarHBondContact O-N 2.95Å; K272-H275 PolarHBondContact O-N 3.39Å; H275-L277 VanDerWaalsContact C-N 3.34Å; H275-L277 PolarHBondContact O-N 3.24Å; H275-N278 PolarHBondContact O-N 3.38Å; H275-T279 WeakPolarHBondContact O-CA 3.44Å; H275-T279 WeakPolarHBondContact O-CB 3.45Å; H275-T279 WeakPolarHBondContact O-CG2 3.28Å; H275-T279 PolarHBondContact O-N 3.47Å; H275-T279 PolarHBondContact O-OG1 2.67Å
276V57.3Low58.2Low22 Ų2242.9 Ų42.913%0.13324%0.239CC..Hα-helixtrans-62.1-41.6172.6170.90000111.7F17 F31 F177 K272 A273 V274 V280 V281F17-V276 HydrophobicContact CZ-CG2 3.81Å; F31-V276 HydrophobicContact CE2-CG1 4.32Å; F31-V276 HydrophobicContact CE2-CG2 4.39Å; F31-V276 HydrophobicContact CZ-CG1 4.24Å; F31-V276 HydrophobicContact CZ-CG2 3.68Å; F177-V276 HydrophobicContact CE1-CG2 3.87Å; F177-V276 HydrophobicContact CE2-CG2 4.36Å; F177-V276 HydrophobicContact CZ-CG2 3.7Å; K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.45Å; K272-V276 PolarHBondContact O-N 3.46Å; A273-V276 WeakPolarHBondContact O-CB 3.44Å; A273-V276 PolarHBondContact O-N 3.16Å; V274-V276 VanDerWaalsContact C-N 3.27Å; V274-V276 PolarHBondContact O-N 3.43Å; V276-V280 HydrophobicContact CG1-CB 4.43Å; V276-V280 HydrophobicContact CG1-CG2 4.28Å; V276-V280 WeakPolarHBondContact O-CA 3.33Å; V276-V280 VanDerWaalsContact O-CB 3.24Å; V276-V280 WeakPolarHBondContact O-CB 3.41Å; V276-V280 PolarHBondContact O-N 3.11Å; V276-V281 PolarHBondContact O-N 3.26Å
277L58.2Low58.8Low70 Ų7035.9 Ų35.937%0.36620%0.202SC..Iπ-helixtrans-59.7-50.2176-170.474.7000111.2S254 A273 V274 H275 V281 T282S254-L277 WeakPolarHBondContact OG-CD2 3.31Å; A273-L277 PolarHBondContact O-N 3.46Å; V274-L277 WeakPolarHBondContact O-CB 3.41Å; V274-L277 PolarHBondContact O-N 3.09Å; V274-L277 VanDerWaalsContact O-N 3.13Å; H275-L277 VanDerWaalsContact C-N 3.34Å; H275-L277 PolarHBondContact O-N 3.24Å; L277-V281 HydrophobicContact CD1-CB 3.92Å; L277-V281 HydrophobicContact CD1-CG1 4.01Å; L277-V281 HydrophobicContact CD1-CG2 4.09Å; L277-V281 WeakPolarHBondContact O-CA 3.27Å; L277-V281 VanDerWaalsContact O-CB 3.26Å; L277-V281 WeakPolarHBondContact O-CB 3.46Å; L277-V281 PolarHBondContact O-N 3.44Å; L277-T282 PolarHBondContact O-N 3.45Å; L277-T282 PolarHBondContact O-OG1 3.2Å
278N60.5Low59.4Low15 Ų1535.5 Ų35.58%0.0820%0.196CC..Iπ-helixtrans-73.3-38.7-178.6-74.9-25.3000113.3W251 S254 V274 H275 P283W251-N278 HydrophobicContact CZ3-CB 4.41Å; W251-N278 WeakPolarHBondContact CZ3-O 3.26Å; S254-N278 WeakPolarHBondContact CB-OD1 2.96Å; V274-N278 PolarHBondContact O-N 2.88Å; H275-N278 PolarHBondContact O-N 3.38Å; N278-P283 VanDerWaalsContact O-CD 3.31Å; N278-P283 WeakPolarHBondContact O-CD 3.28Å
279T58.9Low60.2Low0 Ų032 Ų320%018%0.177CC..Iπ-helixtrans-87.2-19.5-173.860.70000114Y73 F178 H275Y73-T279 HydrophobicContact CE1-CG2 3.72Å; Y73-T279 WeakPolarHBondContact OH-CG2 3.46Å; F178-T279 HydrophobicContact CE1-CG2 4.24Å; H275-T279 WeakPolarHBondContact O-CA 3.44Å; H275-T279 WeakPolarHBondContact O-CB 3.45Å; H275-T279 WeakPolarHBondContact O-CG2 3.28Å; H275-T279 PolarHBondContact O-N 3.47Å; H275-T279 PolarHBondContact O-OG1 2.67Å
280V59.7Low60.7Low4 Ų427.8 Ų27.82%0.02415%0.154CC..Iπ-helixtrans-127.1-41-173-158.40000112.2F31 M34 V78 V276 V284F31-V280 HydrophobicContact CD1-CG2 4.39Å; F31-V280 HydrophobicContact CE1-CG2 4.09Å; F31-V280 HydrophobicContact CZ-CG2 4.46Å; M34-V280 HydrophobicContact CB-CG1 3.43Å; M34-V280 VanDerWaalsContact CB-CG1 3.43Å; M34-V280 HydrophobicContact CE-CB 3.81Å; M34-V280 HydrophobicContact CE-CG1 3.18Å; M34-V280 HydrophobicContact CG-CG1 4.07Å; M34-V280 HydrophobicContact SD-CB 4.26Å; M34-V280 HydrophobicContact SD-CG1 3.6Å; V78-V280 HydrophobicContact CG2-CG2 4.49Å; V276-V280 HydrophobicContact CG1-CB 4.43Å; V276-V280 HydrophobicContact CG1-CG2 4.28Å; V276-V280 WeakPolarHBondContact O-CA 3.33Å; V276-V280 VanDerWaalsContact O-CB 3.24Å; V276-V280 WeakPolarHBondContact O-CB 3.41Å; V276-V280 PolarHBondContact O-N 3.11Å; V280-V284 VanDerWaalsContact O-CG2 3.23Å; V280-V284 WeakPolarHBondContact O-CG2 3.06Å
281V60.3Low61.3Low44 Ų4425 Ų2527%0.26714%0.141SC..Iπ-helixtrans-82.4-47.9-176.5-178.20000111.8M34 V276 L277 V284 L285M34-V281 HydrophobicContact SD-CG2 4.09Å; V276-V281 PolarHBondContact O-N 3.26Å; L277-V281 HydrophobicContact CD1-CB 3.92Å; L277-V281 HydrophobicContact CD1-CG1 4.01Å; L277-V281 HydrophobicContact CD1-CG2 4.09Å; L277-V281 WeakPolarHBondContact O-CA 3.27Å; L277-V281 VanDerWaalsContact O-CB 3.26Å; L277-V281 WeakPolarHBondContact O-CB 3.46Å; L277-V281 PolarHBondContact O-N 3.44Å; V281-V284 PolarHBondContact O-N 2.83Å; V281-L285 HydrophobicContact CG1-CD1 3.83Å; V281-L285 HydrophobicContact CG1-CG 4.2Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 2.9Å
282T65.3Low61.1Low1 Ų128.4 Ų28.41%0.00616%0.157CC..Hα-helixtrans-61.4-43.3-179.2-48.40000113.7I250 W251 L277 V284 L285 N286I250-T282 HydrophobicContact CG2-CG2 4.05Å; W251-T282 HydrophobicContact CE3-CG2 3.41Å; W251-T282 VanDerWaalsContact CE3-CG2 3.41Å; W251-T282 HydrophobicContact CZ3-CG2 3.75Å; L277-T282 PolarHBondContact O-N 3.45Å; L277-T282 PolarHBondContact O-OG1 3.2Å; T282-V284 PolarHBondContact O-N 2.92Å; T282-L285 PolarHBondContact O-N 3.38Å; T282-N286 PolarHBondContact O-N 3.24Å
283P62.9Low61Low0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-60.4-32.9177-28.638.6000113.4S38 N42 E70 T74 N278 P287S38-P283 WeakPolarHBondContact OG-CB 3.43Å; N42-P283 PolarHBondContact ND2-O 3.47Å; E70-P283 WeakPolarHBondContact OE2-CB 3.22Å; E70-P283 WeakPolarHBondContact OE2-CG 3.13Å; T74-P283 HydrophobicContact CG2-CB 3.6Å; T74-P283 HydrophobicContact CG2-CG 3.88Å; N278-P283 VanDerWaalsContact O-CD 3.31Å; N278-P283 WeakPolarHBondContact O-CD 3.28Å; P283-P287 WeakPolarHBondContact O-CD 3.14Å
284V62.4Low61.4Low17 Ų1735.2 Ų35.210%0.10317%0.174CC..Hα-helixtrans-72.4-39.9175172.80000110.9M34 L37 V280 V281 T282 N286 P287 F288M34-V284 HydrophobicContact CB-CG2 3.91Å; M34-V284 HydrophobicContact CG-CG2 4.37Å; M34-V284 WeakPolarHBondContact O-CG2 3.44Å; L37-V284 HydrophobicContact CB-CG1 4.31Å; V280-V284 VanDerWaalsContact O-CG2 3.23Å; V280-V284 WeakPolarHBondContact O-CG2 3.06Å; V281-V284 PolarHBondContact O-N 2.83Å; T282-V284 PolarHBondContact O-N 2.92Å; V284-N286 VanDerWaalsContact C-N 3.35Å; V284-P287 WeakPolarHBondContact O-CD 3.24Å; V284-F288 HydrophobicContact CG1-CD2 4.32Å; V284-F288 HydrophobicContact CG1-CE2 3.88Å; V284-F288 WeakPolarHBondContact O-CD2 3.29Å
285L64.1Low61.6Low62 Ų6241.1 Ų41.133%0.32520%0.198SC..Hα-helixtrans-69.6-31.7-179.5-69176.3000112.5I250 V281 T282 F288 I289I250-L285 HydrophobicContact CD1-CD1 4.13Å; V281-L285 HydrophobicContact CG1-CD1 3.83Å; V281-L285 HydrophobicContact CG1-CG 4.2Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 2.9Å; T282-L285 PolarHBondContact O-N 3.38Å; L285-F288 PolarHBondContact O-N 2.87Å; L285-F288 VanDerWaalsContact O-N 3.1Å; L285-I289 HydrophobicContact CB-CD1 3.85Å; L285-I289 HydrophobicContact CB-CG1 4.5Å; L285-I289 WeakPolarHBondContact O-CB 3.25Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.43Å; L285-I289 PolarHBondContact O-N 2.9Å
286N69.6Low61.3Low2 Ų244 Ų441%0.01122%0.215CC..Hα-helixtrans-53.7-52.5-178.1-83.2-14.3000112.7E70 V247 T282 V284 F288 I289 Y290E70-N286 PolarHBondContact OE1-ND2 2.85Å; V247-N286 VanDerWaalsContact CG1-OD1 3.29Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.36Å; V247-N286 VanDerWaalsContact CG2-OD1 3.25Å; V247-N286 WeakPolarHBondContact CG2-OD1 3.45Å; T282-N286 PolarHBondContact O-N 3.24Å; V284-N286 VanDerWaalsContact C-N 3.35Å; N286-F288 PolarHBondContact O-N 3.32Å; N286-I289 PolarHBondContact O-N 3.4Å; N286-Y290 WeakPolarHBondContact O-CD2 3.28Å; N286-Y290 PolarHBondContact O-N 3.24Å
287P61.6Low61.4Low5 Ų543.2 Ų43.23%0.03221%0.21CC..Hα-helixtrans-55-45.3172.8-28.834.3000114.4I45 P283 V284 T291I45-P287 HydrophobicContact CD1-CB 3.98Å; I45-P287 HydrophobicContact CD1-CG 4.25Å; P283-P287 WeakPolarHBondContact O-CD 3.14Å; V284-P287 WeakPolarHBondContact O-CD 3.24Å; P287-T291 WeakPolarHBondContact O-CB 3.49Å; P287-T291 WeakPolarHBondContact O-CG2 3.18Å; P287-T291 PolarHBondContact O-N 3.47Å; P287-T291 PolarHBondContact O-OG1 2.97Å
288F65.5Low61.6Low94 Ų9445.6 Ų45.641%0.41221%0.214SC..Hα-helixtrans-68.2-40.2-179.6-65.4-67.8000112.4V284 L285 N286 L292V284-F288 HydrophobicContact CG1-CD2 4.32Å; V284-F288 HydrophobicContact CG1-CE2 3.88Å; V284-F288 WeakPolarHBondContact O-CD2 3.29Å; L285-F288 PolarHBondContact O-N 2.87Å; L285-F288 VanDerWaalsContact O-N 3.1Å; N286-F288 PolarHBondContact O-N 3.32Å; F288-L292 HydrophobicContact CB-CD1 4.19Å; F288-L292 HydrophobicContact CD1-CD1 3.54Å; F288-L292 HydrophobicContact CD1-CG 4.18Å; F288-L292 HydrophobicContact CE1-CD1 4.42Å; F288-L292 HydrophobicContact CG-CD1 4.32Å; F288-L292 VanDerWaalsContact O-CB 3.3Å; F288-L292 WeakPolarHBondContact O-CB 3.49Å; F288-L292 PolarHBondContact O-N 3.23Å
289I68.7Low61.8Low19 Ų1949 Ų4910%0.09723%0.23CC..Hα-helixtrans-66.3-42.1179.8-67.3165.8000110.8S243 T246 V247 I250 L285 N286S243-I289 WeakPolarHBondContact CB-O 3.5Å; S243-I289 VanDerWaalsContact O-CG2 3.25Å; S243-I289 WeakPolarHBondContact O-CG2 3.42Å; T246-I289 HydrophobicContact CG2-CD1 3.95Å; T246-I289 HydrophobicContact CG2-CG1 4.39Å; V247-I289 HydrophobicContact CG2-CB 4.22Å; V247-I289 HydrophobicContact CG2-CD1 3.93Å; V247-I289 HydrophobicContact CG2-CG2 3.78Å; I250-I289 HydrophobicContact CD1-CD1 3.91Å; L285-I289 HydrophobicContact CB-CD1 3.85Å; L285-I289 HydrophobicContact CB-CG1 4.5Å; L285-I289 WeakPolarHBondContact O-CB 3.25Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.43Å; L285-I289 PolarHBondContact O-N 2.9Å; N286-I289 PolarHBondContact O-N 3.4Å
290Y66.9Low62Low4 Ų449.9 Ų49.92%0.01624%0.235CC..Hα-helixtrans-84.1-29.1-178.9-70.8-67.5000114.1M59 L63 L66 M118 H244 V247 N286 N294M59-Y290 HydrophobicContact CE-CE1 4.18Å; L63-Y290 HydrophobicContact CD1-CD1 3.93Å; L63-Y290 HydrophobicContact CD1-CD2 3.37Å; L63-Y290 HydrophobicContact CD1-CE1 4.24Å; L63-Y290 HydrophobicContact CD1-CE2 3.7Å; L63-Y290 HydrophobicContact CD1-CG 3.51Å; L63-Y290 HydrophobicContact CD2-CD1 4.41Å; L63-Y290 HydrophobicContact CD2-CG 4.16Å; L66-Y290 HydrophobicContact CD2-CE2 4.14Å; M118-Y290 HydrophobicContact CE-CE1 3.97Å; H244-Y290 HydrophobicContact CB-CE1 4.37Å; H244-Y290 PolarHBondContact CD2-OH 2.88Å; V247-Y290 HydrophobicContact CB-CE2 4.44Å; V247-Y290 HydrophobicContact CG2-CD2 4.39Å; V247-Y290 HydrophobicContact CG2-CE2 3.6Å; N286-Y290 WeakPolarHBondContact O-CD2 3.28Å; N286-Y290 PolarHBondContact O-N 3.24Å; Y290-N294 WeakPolarHBondContact O-CB 3.44Å
291T62Low62.1Low26 Ų2653.5 Ų53.516%0.1625%0.254CS..Hα-helixtrans-95.3-43.6-177.265.80000114.3I45 P287 V297I45-T291 HydrophobicContact CD1-CG2 3.83Å; I45-T291 HydrophobicContact CG1-CG2 3.51Å; P287-T291 WeakPolarHBondContact O-CB 3.49Å; P287-T291 WeakPolarHBondContact O-CG2 3.18Å; P287-T291 PolarHBondContact O-N 3.47Å; P287-T291 PolarHBondContact O-OG1 2.97Å; T291-V297 HydrophobicContact CG2-CG1 3.89Å
292L53.2Low62.3Low113 Ų11355.3 Ų55.359%0.59226%0.26SS*.THydrogen-bonded Turntrans-79.1-31.7-173.8-68.9178.9000112.9F288F288-L292 HydrophobicContact CB-CD1 4.19Å; F288-L292 HydrophobicContact CD1-CD1 3.54Å; F288-L292 HydrophobicContact CD1-CG 4.18Å; F288-L292 HydrophobicContact CE1-CD1 4.42Å; F288-L292 HydrophobicContact CG-CD1 4.32Å; F288-L292 VanDerWaalsContact O-CB 3.3Å; F288-L292 WeakPolarHBondContact O-CB 3.49Å; F288-L292 PolarHBondContact O-N 3.23Å
293R52.6Low62.3Low160 Ų16060.6 Ų60.660%0.60428%0.283SS*.SBendtrans-86.2-19.5177.8-79-173169.2-170.4-1113.6
294N61.4Low62.3Low39 Ų3965.4 Ų65.421%0.20930%0.304CS..  trans-89.7113.7-178-164.9-32.8000111Y60 Y290 D296 V297 R298Y60-N294 PolarHBondContact OH-ND2 3.26Å; Y60-N294 PolarHBondContact OH-OD1 3Å; Y290-N294 WeakPolarHBondContact O-CB 3.44Å; N294-D296 PolarHBondContact O-N 3.21Å; N294-D296 WeakPolarHBondContact OD1-CB 3.4Å; N294-D296 PolarHBondContact OD1-N 3.28Å; N294-V297 HydrophobicContact CB-CB 4.26Å; N294-V297 HydrophobicContact CB-CG2 4.13Å; N294-V297 PolarHBondContact O-N 3.33Å; N294-R298 PolarHBondContact O-N 2.74Å; N294-R298 VanDerWaalsContact O-N 3.09Å
295K59.1Low62.4Low136 Ų13674.3 Ų74.359%0.59134%0.336SS*.Hα-helixtrans-56.6-38179.2-81.1-172.4176.6-177.90112.3R298 E299K295-R298 PolarHBondContact O-N 3.23Å; K295-E299 WeakPolarHBondContact O-CB 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.25Å; K295-E299 PolarHBondContact O-N 2.97Å
296D57.8Low62.4Low91 Ų9181 Ų8149%0.48736%0.357SS..Hα-helixtrans-67.5-41.4-175.4-57.4-23.1000111.5N294 T300N294-D296 PolarHBondContact O-N 3.21Å; N294-D296 WeakPolarHBondContact OD1-CB 3.4Å; N294-D296 PolarHBondContact OD1-N 3.28Å; D296-T300 WeakPolarHBondContact O-CB 3.26Å; D296-T300 PolarHBondContact O-N 3.16Å; D296-T300 PolarHBondContact O-OG1 2.98Å
297V58.7Low61.8Low5 Ų591.6 Ų91.63%0.0340%0.397CS..Hα-helixtrans-65.6-47.2174.9171.50000110.6L48 Y60 T291 N294 E299 T300 L301L48-V297 HydrophobicContact CD2-CB 4.31Å; L48-V297 HydrophobicContact CD2-CG1 3.53Å; L48-V297 HydrophobicContact CD2-CG2 4.39Å; Y60-V297 HydrophobicContact CE1-CG2 3.81Å; T291-V297 HydrophobicContact CG2-CG1 3.89Å; N294-V297 HydrophobicContact CB-CB 4.26Å; N294-V297 HydrophobicContact CB-CG2 4.13Å; N294-V297 PolarHBondContact O-N 3.33Å; V297-E299 PolarHBondContact O-N 3.47Å; V297-T300 PolarHBondContact O-N 2.94Å; V297-L301 HydrophobicContact CG1-CD1 3.88Å; V297-L301 HydrophobicContact CG1-CG 4.42Å; V297-L301 WeakPolarHBondContact O-CB 3.35Å; V297-L301 WeakPolarHBondContact O-CG 3.27Å; V297-L301 PolarHBondContact O-N 2.99Å
298R61.8Low61Low120 Ų12099.3 Ų99.345%0.45344%0.444SS..Hα-helixtrans-62.3-41.3178.7-169.1178.467.3-176.74.5112.3N294 K295 L301 M302N294-R298 PolarHBondContact O-N 2.74Å; N294-R298 VanDerWaalsContact O-N 3.09Å; K295-R298 PolarHBondContact O-N 3.23Å; R298-L301 PolarHBondContact O-N 3.37Å; R298-M302 HydrophobicContact CG-CE 4.39Å; R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 WeakPolarHBondContact O-CG 3.17Å; R298-M302 PolarHBondContact O-N 3.35Å
299E64.4Low60.8Low88 Ų8899.6 Ų99.641%0.41145%0.446SS..Hα-helixtrans-68.1-37.9177.4-77.3-177.6-16300112.2K295 V297 M302 K303K295-E299 WeakPolarHBondContact O-CB 3.48Å; K295-E299 WeakPolarHBondContact O-CG 3.25Å; K295-E299 PolarHBondContact O-N 2.97Å; V297-E299 PolarHBondContact O-N 3.47Å; E299-M302 HydrophobicContact CG-CE 4.49Å; E299-M302 PolarHBondContact O-N 3.14Å; E299-K303 WeakPolarHBondContact O-CB 3.25Å; E299-K303 VanDerWaalsContact O-CG 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.25Å; E299-K303 PolarHBondContact O-N 3.07Å
300T63.1Low60.4Low17 Ų17103.8 Ų103.810%0.10446%0.464CS..Hα-helixtrans-67.3-42.7175.3-56.50000111L48 L55 D296 V297 K303 K304L48-T300 HydrophobicContact CD1-CG2 3.75Å; L55-T300 HydrophobicContact CD1-CG2 4.49Å; D296-T300 WeakPolarHBondContact O-CB 3.26Å; D296-T300 PolarHBondContact O-N 3.16Å; D296-T300 PolarHBondContact O-OG1 2.98Å; V297-T300 PolarHBondContact O-N 2.94Å; T300-K303 PolarHBondContact O-N 3.43Å; T300-K304 WeakPolarHBondContact O-CB 3.44Å; T300-K304 PolarHBondContact O-N 3Å
301L62.6Low60Low81 Ų81109.3 Ų109.342%0.42449%0.489SS..Hα-helixtrans-60.4-47174-75.3169.8000111.7L48 V297 R298 K303 K304 W305L48-L301 HydrophobicContact CD1-CD2 4.11Å; L48-L301 HydrophobicContact CD1-CG 4.42Å; L48-L301 HydrophobicContact CD2-CD2 4.44Å; L48-L301 HydrophobicContact CD2-CG 4.26Å; V297-L301 HydrophobicContact CG1-CD1 3.88Å; V297-L301 HydrophobicContact CG1-CG 4.42Å; V297-L301 WeakPolarHBondContact O-CB 3.35Å; V297-L301 WeakPolarHBondContact O-CG 3.27Å; V297-L301 PolarHBondContact O-N 2.99Å; R298-L301 PolarHBondContact O-N 3.37Å; L301-K303 PolarHBondContact O-N 3.1Å; L301-K304 PolarHBondContact O-N 2.72Å; L301-W305 WeakPolarHBondContact O-CB 2.89Å; L301-W305 PolarHBondContact O-N 3.03Å
302M64.1Low59.9Low82 Ų82114.2 Ų114.240%0.40451%0.508SS..Hα-helixtrans-62.7-39.5176.4-75.7-162.5-68.400112.5R298 E299 R306R298-M302 HydrophobicContact CG-CE 4.39Å; R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 WeakPolarHBondContact O-CG 3.17Å; R298-M302 PolarHBondContact O-N 3.35Å; E299-M302 HydrophobicContact CG-CE 4.49Å; E299-M302 PolarHBondContact O-N 3.14Å; M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CG 3.28Å; M302-R306 WeakPolarHBondContact O-CG 2.83Å; M302-R306 PolarHBondContact O-N 3.26Å
303K65.5Low60.3Low111 Ų111114.3 Ų114.348%0.48350%0.503SS..Hα-helixtrans-65.6-39.2176.3-78.3174.5-176.7169.90112.2E299 T300 L301 R307E299-K303 WeakPolarHBondContact O-CB 3.25Å; E299-K303 VanDerWaalsContact O-CG 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.25Å; E299-K303 PolarHBondContact O-N 3.07Å; T300-K303 PolarHBondContact O-N 3.43Å; L301-K303 PolarHBondContact O-N 3.1Å; K303-R307 WeakPolarHBondContact O-CG 3.46Å; K303-R307 PolarHBondContact O-N 3.21Å
304K63.3Low60.8Low101 Ų101111.3 Ų111.344%0.43950%0.496SS..Hα-helixtrans-72-41.8179.2-156.5171.6-176.1-179.40111.2T51 T300 L301 R306 R307 T308T51-K304 PolarHBondContact OG1-NZ 2.64Å; T300-K304 WeakPolarHBondContact O-CB 3.44Å; T300-K304 PolarHBondContact O-N 3Å; L301-K304 PolarHBondContact O-N 2.72Å; K304-R306 PolarHBondContact O-N 2.85Å; K304-R307 PolarHBondContact O-N 3.17Å; K304-T308 PolarHBondContact O-N 3.34Å; K304-T308 PolarHBondContact O-OG1 3.15Å
305W64.7Low60.8Low204 Ų204116.4 Ų116.477%0.77352%0.517SS*.Hα-helixtrans-65.3-36.9176.5-170.551.6000113L301 R307 T308L301-W305 WeakPolarHBondContact O-CB 2.89Å; L301-W305 PolarHBondContact O-N 3.03Å; W305-R307 PolarHBondContact O-N 3.37Å; W305-T308 PolarHBondContact O-N 2Å
306R63.8Low60.9Low202 Ų202114.9 Ų114.976%0.76251%0.511SS*.THydrogen-bonded Turntrans-71.7-13.4174.3-74179.8-173.5-168.52.4114.8M302 K304M302-R306 WeakPolarHBondContact O-CB 3.45Å; M302-R306 VanDerWaalsContact O-CG 3.28Å; M302-R306 WeakPolarHBondContact O-CG 2.83Å; M302-R306 PolarHBondContact O-N 3.26Å; K304-R306 PolarHBondContact O-N 2.85Å
307R56.3Low61.2Low225 Ų225116.9 Ų116.985%0.84951%0.513SS*.THydrogen-bonded Turntrans-98.8-4.8178.3-78-179.3173.9-178.8-2.3112.9K303 K304 W305K303-R307 WeakPolarHBondContact O-CG 3.46Å; K303-R307 PolarHBondContact O-N 3.21Å; K304-R307 PolarHBondContact O-N 3.17Å; W305-R307 PolarHBondContact O-N 3.37Å
308T45.8Very low61.4Low167 Ų167127.1 Ų127.1100%1.02556%0.557SS**  trans-100.90174.3-40.30000108.1K304 W305K304-T308 PolarHBondContact O-N 3.34Å; K304-T308 PolarHBondContact O-OG1 3.15Å; W305-T308 PolarHBondContact O-N 2Å

Retrieved 308 of 308 residues in 184.6 ms (Link to these results)

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