G4VTC3_SCHMA Loading...

Protoporphyrinogen oxidase

Catalyzes the 6-electron oxidation of protoporphyrinogen-IX to form protoporphyrin-IX.

AlphaFold DB , UniProt , Accession G4VTC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 510 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
1M58.7Low91Very high226 Ų22647.6 Ų47.6100%1.11323%0.229SC*.  0134.70-92.6177.2-178.600108.4
2R77.5Confident91.6Very high154 Ų15444.8 Ų44.858%0.58122%0.222SC*.PPolyproline II helixtrans-64.2141.4168.6-176.1-177.3177.8-176.20.9108.5T298R2-T298 PolarHBondContact NH2-OG1 2.95Å; R2-T298 VanDerWaalsContact NH2-OG1 3.1Å
3I87.9Confident92.1Very high88 Ų8842.2 Ų42.245%0.45121%0.209SC..PPolyproline II helixtrans-63.9123.6171.1-65.8174.8000107.5Y31 R32I3-Y31 VanDerWaalsContact CG2-C 3.5Å; I3-R32 HydrophobicContact CG2-CG 4.29Å
4P91.4Very high92.6Very high33 Ų3339.9 Ų39.921%0.21420%0.199CC..PPolyproline II helixtrans-63.1138.1179.426.3-34.8000110.9Y6 S30 Y31 R32 D300 I301P4-Y6 HydrophobicContact CB-CE2 4.27Å; P4-Y6 HydrophobicContact CG-CE2 4.25Å; P4-S30 WeakPolarHBondContact CD-O 3.34Å; P4-Y31 WeakPolarHBondContact O-CA 3.43Å; P4-R32 PolarHBondContact O-N 2.83Å; P4-D300 WeakPolarHBondContact CA-OD2 3.16Å; P4-I301 HydrophobicContact CB-CD1 4.4Å
5H95Very high93Very high8 Ų837.3 Ų37.34%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-108.2118.2173.4-174-173.7000110.6R32 T34 T298 D300 I301H5-R32 WeakPolarHBondContact CA-O 3.38Å; H5-R32 HydrophobicContact CB-CB 4.3Å; H5-T34 PolarHBondContact NE2-OG1 2.71Å; H5-T298 PolarHBondContact CE1-O 3.4Å; H5-T298 PolarHBondContact ND1-O 3.41Å; H5-D300 PolarHBondContact N-OD2 2.81Å; H5-D300 PolarHBondContact O-N 3.09Å; H5-I301 PolarHBondContact O-N 3.42Å
6Y97Very high93.3Very high1 Ų134.9 Ų34.90%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-91.9132.4172.2-63-81.1000110.9P4 I22 R26 Y31 R32 L33 T34 I301 F303 E505P4-Y6 HydrophobicContact CB-CE2 4.27Å; P4-Y6 HydrophobicContact CG-CE2 4.25Å; Y6-I22 HydrophobicContact CD1-CD1 4.38Å; Y6-I22 HydrophobicContact CD2-CG2 4.47Å; Y6-R26 PolarHBondContact OH-NE 2.88Å; Y6-R26 PolarHBondContact OH-NH2 3.27Å; Y6-Y31 AromaticContact CD2-CD2 3.86Å; Y6-Y31 HydrophobicContact CD2-CD2 3.86Å; Y6-Y31 HydrophobicContact CD2-CG 4.3Å; Y6-Y31 HydrophobicContact CE2-CD2 4.21Å; Y6-Y31 HydrophobicContact CE2-CG 4.23Å; Y6-R32 PolarHBondContact N-O 3.22Å; Y6-L33 HydrophobicContact CG-CD1 4.25Å; Y6-L33 CarbonylContact O-C 3.55Å; Y6-L33 WeakPolarHBondContact O-CA 3.39Å; Y6-T34 PolarHBondContact O-N 2.77Å; Y6-I301 CarbonylContact C-O 3.59Å; Y6-I301 WeakPolarHBondContact CA-O 3.39Å; Y6-I301 HydrophobicContact CD1-CB 3.6Å; Y6-I301 HydrophobicContact CD1-CD1 4.19Å; Y6-I301 HydrophobicContact CD1-CG1 4.33Å; Y6-I301 HydrophobicContact CD1-CG2 3.81Å; Y6-I301 HydrophobicContact CE1-CB 3.77Å; Y6-I301 HydrophobicContact CE1-CD1 3.69Å; Y6-I301 HydrophobicContact CE1-CG1 3.99Å; Y6-I301 HydrophobicContact CE1-CG2 3.98Å; Y6-F303 AromaticContact CD1-CE2 3.8Å; Y6-F303 HydrophobicContact CD1-CE2 3.8Å; Y6-F303 HydrophobicContact CE1-CE2 4.26Å; Y6-E505 HydrophobicContact CE1-CG 4.1Å; Y6-E505 WeakPolarHBondContact CE1-OE1 3.41Å; Y6-E505 PolarHBondContact OH-OE1 2.65Å; Y6-E505 PolarHBondContact OH-OE2 3.44Å
7L98.5Very high93.6Very high0 Ų032.9 Ų32.90%016%0.164CC..EExtended strand (participates in β ladder)trans-109131.5166.3173.967.5000109.4V9 T34 L36 Y282 A299 I301 V302 F303L7-V9 HydrophobicContact CD2-CG2 3.97Å; L7-V9 HydrophobicContact CG-CG2 4.01Å; L7-T34 CarbonylContact C-O 3.48Å; L7-T34 WeakPolarHBondContact CA-O 3.12Å; L7-T34 HydrophobicContact CD1-CG2 4.39Å; L7-L36 HydrophobicContact CD1-CD1 3.9Å; L7-L36 HydrophobicContact CD1-CG 3.92Å; L7-Y282 HydrophobicContact CD1-CD2 4.49Å; L7-Y282 HydrophobicContact CD1-CE1 4.42Å; L7-Y282 HydrophobicContact CD1-CE2 4.1Å; L7-Y282 HydrophobicContact CD2-CD1 3.63Å; L7-Y282 HydrophobicContact CD2-CD2 3.88Å; L7-Y282 HydrophobicContact CD2-CE1 3.97Å; L7-Y282 HydrophobicContact CD2-CE2 4.23Å; L7-Y282 HydrophobicContact CD2-CG 3.56Å; L7-A299 HydrophobicContact CB-CB 3.67Å; L7-I301 PolarHBondContact N-O 3.49Å; L7-V302 HydrophobicContact CB-CG1 4.36Å; L7-V302 HydrophobicContact CB-CG2 4.33Å; L7-V302 HydrophobicContact CD2-CG1 4.01Å; L7-V302 HydrophobicContact CD2-CG2 4.37Å; L7-V302 HydrophobicContact CG-CG1 4.27Å; L7-V302 CarbonylContact O-C 3.34Å; L7-V302 WeakPolarHBondContact O-CA 3.28Å; L7-F303 PolarHBondContact O-N 3.1Å
8I98.8Very high93.9Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-113.8123.7170-63.1176.7000108T18 S19 I22 L33 T34 V35 L36 F303 C305I8-T18 HydrophobicContact CD1-CG2 3.86Å; I8-T18 HydrophobicContact CG1-CG2 4.4Å; I8-S19 WeakPolarHBondContact CD1-OG 3.27Å; I8-I22 HydrophobicContact CD1-CD1 4.37Å; I8-L33 HydrophobicContact CD1-CD1 3.98Å; I8-L33 HydrophobicContact CD1-CD2 4.02Å; I8-L33 HydrophobicContact CD1-CG 4.27Å; I8-T34 PolarHBondContact N-O 2.66Å; I8-V35 HydrophobicContact CB-CB 4.43Å; I8-V35 HydrophobicContact CB-CG1 4.18Å; I8-V35 HydrophobicContact CB-CG2 4.15Å; I8-V35 HydrophobicContact CD1-CG2 4.27Å; I8-V35 HydrophobicContact CG2-CG1 4.04Å; I8-V35 WeakPolarHBondContact O-CA 3.45Å; I8-L36 PolarHBondContact O-N 3.34Å; I8-F303 HydrophobicContact CG1-CB 4.17Å; I8-F303 HydrophobicContact CG1-CD2 4.43Å; I8-C305 HydrophobicContact CG2-CB 4.47Å
9V98.8Very high94.2Very high7 Ų729.4 Ų29.44%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-103110.2178.9-172.70000108.9L7 V270 V302 F303 F304 C305 C306 I314L7-V9 HydrophobicContact CD2-CG2 3.97Å; L7-V9 HydrophobicContact CG-CG2 4.01Å; V9-V270 HydrophobicContact CG1-CB 4.05Å; V9-V270 HydrophobicContact CG1-CG2 4.07Å; V9-V270 HydrophobicContact CG2-CB 4.48Å; V9-V270 HydrophobicContact CG2-CG2 4.09Å; V9-V302 HydrophobicContact CG2-CG1 4.1Å; V9-F303 PolarHBondContact N-O 2.93Å; V9-F304 HydrophobicContact CB-CD1 4.09Å; V9-F304 HydrophobicContact CB-CE1 4.4Å; V9-F304 HydrophobicContact CG1-CD1 4.41Å; V9-F304 HydrophobicContact CG2-CD1 4.2Å; V9-F304 HydrophobicContact CG2-CE1 4.09Å; V9-C305 CarbonylContact O-C 3.56Å; V9-C305 WeakPolarHBondContact O-CA 3.26Å; V9-C305 WeakPolarHBondContact O-CB 3.22Å; V9-C305 PolarHBondContact O-N 3.39Å; V9-C306 HydrophobicContact CG1-CB 4.41Å; V9-C306 PolarHBondContact O-N 2.99Å; V9-C306 VanDerWaalsContact O-N 3.09Å; V9-I314 HydrophobicContact CG1-CD1 4.01Å
10G98.6Very high94.4Very high7 Ų728.2 Ų28.27%0.07214%0.14CC..  trans106.8122.6-177.100000112.9G15 L36G10-G15 WeakPolarHBondContact O-CA 3.28Å; G10-L36 PolarHBondContact N-O 3.05Å
11G98.4Very high94.6Very high0 Ų026.9 Ų26.90%013%0.134CC..  trans-95.521.8-179.900000114.6L16 E37 G43G11-L16 WeakPolarHBondContact O-CD1 2.92Å; G11-E37 WeakPolarHBondContact CA-OE2 3.3Å; G11-E37 PolarHBondContact N-OE2 2.81Å; G11-G43 PolarHBondContact O-N 2.84Å
12G98.3Very high96.4Very high14 Ų1416.1 Ų16.114%0.1448%0.081CC..BIsolated β-bridgetrans-73.9-178.717000000113.1S14 G15 L16G12-S14 VanDerWaalsContact C-N 3.26Å; G12-S14 PolarHBondContact O-N 3.31Å; G12-G15 PolarHBondContact O-N 2.91Å; G12-G15 VanDerWaalsContact O-N 3.08Å; G12-L16 WeakPolarHBondContact O-CG 3.11Å; G12-L16 PolarHBondContact O-N 3.25Å
13L98.5Very high97.3Very high10 Ų109.1 Ų9.15%0.0526%0.056CC..Hα-helixtrans-49.7-46.4178.3-177.165.9000112.5G15 L16 V17 I46 L247 I248 I251 L491 A494 V495L13-G15 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 3.44Å; L13-V17 HydrophobicContact CD1-CG2 3.67Å; L13-V17 HydrophobicContact CG-CG2 4.08Å; L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.22Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.28Å; L13-I46 HydrophobicContact CB-CD1 3.93Å; L13-I46 HydrophobicContact CD1-CD1 4.33Å; L13-I46 HydrophobicContact CD2-CD1 4.04Å; L13-I46 HydrophobicContact CG-CD1 4.32Å; L13-L247 HydrophobicContact CD1-CD2 3.95Å; L13-I248 HydrophobicContact CB-CD1 4.35Å; L13-I248 HydrophobicContact CD1-CD1 3.98Å; L13-I251 HydrophobicContact CD1-CD1 4.5Å; L13-L491 HydrophobicContact CD2-CB 3.98Å; L13-L491 HydrophobicContact CD2-CD2 3.85Å; L13-L491 HydrophobicContact CD2-CG 4.43Å; L13-A494 HydrophobicContact CD2-CB 4.35Å; L13-V495 HydrophobicContact CD2-CG2 3.96Å; L13-V495 HydrophobicContact CG-CG2 4.28Å
14S98.5Very high97.6Very high11 Ų117.1 Ų7.18%0.0775%0.046CC..Hα-helixtrans-56.6-46.5179.7-53.90000112.6G12 T18 G483G12-S14 VanDerWaalsContact C-N 3.26Å; G12-S14 PolarHBondContact O-N 3.31Å; S14-T18 VanDerWaalsContact O-CB 3.3Å; S14-T18 WeakPolarHBondContact O-CB 3.27Å; S14-T18 PolarHBondContact O-N 3.31Å; S14-T18 PolarHBondContact O-OG1 3.26Å; S14-G483 WeakPolarHBondContact OG-CA 3.45Å
15G98.7Very high97.7Very high0 Ų06.6 Ų6.60%04%0.042CC..Hα-helixtrans-73.1-41.6-178.100000112.7G10 G12 L13 T18 S19 C305G10-G15 WeakPolarHBondContact O-CA 3.28Å; G12-G15 PolarHBondContact O-N 2.91Å; G12-G15 VanDerWaalsContact O-N 3.08Å; L13-G15 PolarHBondContact O-N 3.28Å; G15-T18 PolarHBondContact O-N 3.34Å; G15-S19 WeakPolarHBondContact O-CB 3.49Å; G15-S19 PolarHBondContact O-N 3.09Å; G15-S19 PolarHBondContact O-OG 3.28Å; G15-C305 VanDerWaalsContact CA-SG 3.51Å
16L98.8Very high97.6Very high0 Ų08 Ų80%05%0.047CC..Hα-helixtrans-66.8-40.8177.3-67.9174.2000111.9G11 G12 L13 S19 Y20 W42 I248 I251 V252G11-L16 WeakPolarHBondContact O-CD1 2.92Å; G12-L16 WeakPolarHBondContact O-CG 3.11Å; G12-L16 PolarHBondContact O-N 3.25Å; L13-L16 PolarHBondContact O-N 3.44Å; L16-S19 WeakPolarHBondContact O-CB 3.2Å; L16-S19 PolarHBondContact O-N 3.27Å; L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 3.02Å; L16-W42 HydrophobicContact CD1-CB 4.28Å; L16-W42 HydrophobicContact CD2-CE3 3.98Å; L16-W42 HydrophobicContact CD2-CZ3 4.41Å; L16-I248 HydrophobicContact CD1-CD1 4.14Å; L16-I248 HydrophobicContact CD1-CG2 3.68Å; L16-I251 HydrophobicContact CB-CG2 3.85Å; L16-V252 HydrophobicContact CD1-CG2 3.99Å; L16-V252 HydrophobicContact CD2-CG2 3.82Å
17V98.6Very high97.3Very high0 Ų012.3 Ų12.30%08%0.075CC..Hα-helixtrans-67.5-39.9173.71710000111L13 S19 Y20 L21 I78 I251 V495 A498L13-V17 HydrophobicContact CD1-CG2 3.67Å; L13-V17 HydrophobicContact CG-CG2 4.08Å; L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.22Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.28Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.89Å; V17-Y20 PolarHBondContact O-N 3.33Å; V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.04Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 VanDerWaalsContact O-CG 3.24Å; V17-L21 WeakPolarHBondContact O-CG 2.82Å; V17-L21 PolarHBondContact O-N 3.2Å; V17-I78 HydrophobicContact CG1-CD1 3.76Å; V17-I78 HydrophobicContact CG2-CD1 4.49Å; V17-I251 HydrophobicContact CG2-CD1 4.14Å; V17-V495 HydrophobicContact CG1-CB 4.49Å; V17-V495 HydrophobicContact CG1-CG1 4.2Å; V17-V495 HydrophobicContact CG1-CG2 4.37Å; V17-V495 HydrophobicContact CG2-CG2 4.05Å; V17-A498 HydrophobicContact CB-CB 4.38Å; V17-A498 HydrophobicContact CG1-CB 3.89Å
18T98.7Very high96.8Very high0 Ų018.3 Ų18.30%011%0.106CC..Hα-helixtrans-57.6-46.3173.2-610000110.8I8 S14 G15 Y20 L21 I22 F303 A498 V502I8-T18 HydrophobicContact CD1-CG2 3.86Å; I8-T18 HydrophobicContact CG1-CG2 4.4Å; S14-T18 VanDerWaalsContact O-CB 3.3Å; S14-T18 WeakPolarHBondContact O-CB 3.27Å; S14-T18 PolarHBondContact O-N 3.31Å; S14-T18 PolarHBondContact O-OG1 3.26Å; G15-T18 PolarHBondContact O-N 3.34Å; T18-Y20 PolarHBondContact O-N 3.23Å; T18-L21 PolarHBondContact O-N 3.12Å; T18-I22 HydrophobicContact CG2-CD1 3.95Å; T18-I22 VanDerWaalsContact O-CG1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 3.49Å; T18-F303 HydrophobicContact CG2-CB 4.18Å; T18-F303 HydrophobicContact CG2-CD1 3.76Å; T18-F303 HydrophobicContact CG2-CD2 4.24Å; T18-F303 HydrophobicContact CG2-CE1 4.18Å; T18-F303 HydrophobicContact CG2-CG 3.81Å; T18-A498 WeakPolarHBondContact OG1-CB 3.49Å; T18-V502 HydrophobicContact CG2-CG2 3.92Å
19S98.6Very high96.2Very high0 Ų020.5 Ų20.50%013%0.129CC..Hα-helixtrans-57.9-47.6175.8-510000111.6I8 G15 L16 V17 I22 S23 V35I8-S19 WeakPolarHBondContact CD1-OG 3.27Å; G15-S19 WeakPolarHBondContact O-CB 3.49Å; G15-S19 PolarHBondContact O-N 3.09Å; G15-S19 PolarHBondContact O-OG 3.28Å; L16-S19 WeakPolarHBondContact O-CB 3.2Å; L16-S19 PolarHBondContact O-N 3.27Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.89Å; S19-I22 PolarHBondContact O-N 3.49Å; S19-S23 WeakPolarHBondContact O-CB 3.42Å; S19-S23 PolarHBondContact O-N 3.38Å; S19-V35 VanDerWaalsContact OG-CG2 3.26Å; S19-V35 WeakPolarHBondContact OG-CG2 3.38Å
20Y98.5Very high95.9Very high4 Ų422.2 Ų22.22%0.01614%0.141CC..Hα-helixtrans-61.3-47.6178.3-176.3-110.8000112.1L16 V17 T18 I22 S23 L24 I78 S81 L82 L224 H254L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 3.02Å; V17-Y20 PolarHBondContact O-N 3.33Å; T18-Y20 PolarHBondContact O-N 3.23Å; Y20-I22 PolarHBondContact O-N 3.34Å; Y20-S23 WeakPolarHBondContact O-CB 3.46Å; Y20-S23 PolarHBondContact O-N 3.39Å; Y20-S23 VanDerWaalsContact O-N 3.1Å; Y20-S23 PolarHBondContact O-OG 3.34Å; Y20-L24 HydrophobicContact CD1-CD1 4.08Å; Y20-L24 HydrophobicContact CE1-CD1 3.55Å; Y20-L24 HydrophobicContact CE1-CG 4.28Å; Y20-L24 WeakPolarHBondContact O-CG 3.13Å; Y20-L24 PolarHBondContact O-N 3.49Å; Y20-L24 VanDerWaalsContact O-N 3.09Å; Y20-I78 HydrophobicContact CD1-CG1 4.47Å; Y20-I78 HydrophobicContact CD1-CG2 4.12Å; Y20-I78 HydrophobicContact CE1-CG1 4.33Å; Y20-I78 HydrophobicContact CE1-CG2 4.01Å; Y20-S81 VanDerWaalsContact OH-CB 3.25Å; Y20-S81 WeakPolarHBondContact OH-CB 3.38Å; Y20-S81 PolarHBondContact OH-OG 2.89Å; Y20-L82 HydrophobicContact CD2-CD2 4.49Å; Y20-L82 HydrophobicContact CE2-CD2 3.84Å; Y20-L224 HydrophobicContact CE1-CD2 4.28Å; Y20-H254 AromaticContact CD2-CD2 3.96Å; Y20-H254 AromaticContact CE2-CD2 3.66Å; Y20-H254 AromaticContact CE2-NE2 3.64Å
21L97.9Very high95.7Very high1 Ų122 Ų221%0.00514%0.138CC..Hα-helixtrans-66.6-36.9179.8-66.6176.9000112.5V17 T18 S23 L24 T25 I78 I220 L224 A498 A499 V502V17-L21 HydrophobicContact CG1-CD1 3.77Å; V17-L21 HydrophobicContact CG1-CG 4.04Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 VanDerWaalsContact O-CG 3.24Å; V17-L21 WeakPolarHBondContact O-CG 2.82Å; V17-L21 PolarHBondContact O-N 3.2Å; T18-L21 PolarHBondContact O-N 3.12Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 2.96Å; L21-L24 PolarHBondContact O-N 3.48Å; L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.42Å; L21-T25 PolarHBondContact O-N 3.5Å; L21-T25 PolarHBondContact O-OG1 3.05Å; L21-I78 HydrophobicContact CD2-CD1 4.45Å; L21-I220 HydrophobicContact CD1-CD1 4.33Å; L21-I220 HydrophobicContact CD2-CG2 3.81Å; L21-L224 HydrophobicContact CD2-CD1 4.35Å; L21-A498 HydrophobicContact CD1-CB 4.25Å; L21-A499 HydrophobicContact CD1-CB 3.93Å; L21-V502 HydrophobicContact CB-CG1 4.46Å; L21-V502 HydrophobicContact CB-CG2 4.2Å
22I96.7Very high95.6Very high0 Ų029.1 Ų29.10%017%0.165CC..Hα-helixtrans-61.9-42.1171.2-68.7167.6000110Y6 I8 T18 S19 Y20 L24 T25 R26 Y31 L33 F303 V502Y6-I22 HydrophobicContact CD1-CD1 4.38Å; Y6-I22 HydrophobicContact CD2-CG2 4.47Å; I8-I22 HydrophobicContact CD1-CD1 4.37Å; T18-I22 HydrophobicContact CG2-CD1 3.95Å; T18-I22 VanDerWaalsContact O-CG1 3.31Å; T18-I22 WeakPolarHBondContact O-CG1 3.47Å; T18-I22 PolarHBondContact O-N 3.49Å; S19-I22 PolarHBondContact O-N 3.49Å; Y20-I22 PolarHBondContact O-N 3.34Å; I22-L24 VanDerWaalsContact C-N 3.26Å; I22-L24 PolarHBondContact O-N 3.22Å; I22-T25 WeakPolarHBondContact CA-OG1 3.17Å; I22-T25 PolarHBondContact O-N 2.88Å; I22-T25 PolarHBondContact O-OG1 3.47Å; I22-R26 HydrophobicContact CG2-CG 4.03Å; I22-R26 WeakPolarHBondContact O-CB 3.45Å; I22-R26 PolarHBondContact O-N 3.04Å; I22-Y31 HydrophobicContact CG2-CD2 4.06Å; I22-Y31 HydrophobicContact CG2-CE2 3.75Å; I22-L33 HydrophobicContact CB-CD1 4.12Å; I22-L33 HydrophobicContact CD1-CD1 3.68Å; I22-L33 HydrophobicContact CG2-CD1 3.8Å; I22-F303 HydrophobicContact CD1-CD2 4.23Å; I22-F303 HydrophobicContact CD1-CE2 3.73Å; I22-F303 HydrophobicContact CD1-CZ 4.19Å; I22-V502 HydrophobicContact CD1-CG2 4.44Å; I22-V502 HydrophobicContact CG1-CG1 4.23Å; I22-V502 HydrophobicContact CG1-CG2 3.87Å
23S96.6Very high95.6Very high8 Ų828.5 Ų28.56%0.05616%0.158CC..Hα-helixtrans-65.1-26.1179.682.10000114.6S19 Y20 L21 Y31S19-S23 WeakPolarHBondContact O-CB 3.42Å; S19-S23 PolarHBondContact O-N 3.38Å; Y20-S23 WeakPolarHBondContact O-CB 3.46Å; Y20-S23 PolarHBondContact O-N 3.39Å; Y20-S23 VanDerWaalsContact O-N 3.1Å; Y20-S23 PolarHBondContact O-OG 3.34Å; L21-S23 VanDerWaalsContact C-N 3.3Å; L21-S23 PolarHBondContact O-N 2.96Å; S23-Y31 VanDerWaalsContact CA-OH 3.3Å; S23-Y31 WeakPolarHBondContact CA-OH 3.26Å
24L95.2Very high95.6Very high46 Ų4628.3 Ų28.324%0.24116%0.157CC..Hα-helixtrans-82.8-28.5175.3-68.3-179.2000113.4Y20 L21 I22 K223 L224Y20-L24 HydrophobicContact CD1-CD1 4.08Å; Y20-L24 HydrophobicContact CE1-CD1 3.55Å; Y20-L24 HydrophobicContact CE1-CG 4.28Å; Y20-L24 WeakPolarHBondContact O-CG 3.13Å; Y20-L24 PolarHBondContact O-N 3.49Å; Y20-L24 VanDerWaalsContact O-N 3.09Å; L21-L24 PolarHBondContact O-N 3.48Å; I22-L24 VanDerWaalsContact C-N 3.26Å; I22-L24 PolarHBondContact O-N 3.22Å; L24-K223 HydrophobicContact CB-CB 4.18Å; L24-L224 HydrophobicContact CD1-CD2 3.62Å; L24-L224 HydrophobicContact CD1-CG 4.29Å
25T93.6Very high95.6Very high21 Ų2127.8 Ų27.813%0.12915%0.154CC..Hα-helixtrans-100-28.9-170.9510000113L21 I22 I220 K223 F506L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 WeakPolarHBondContact O-CG2 3.42Å; L21-T25 PolarHBondContact O-N 3.5Å; L21-T25 PolarHBondContact O-OG1 3.05Å; I22-T25 WeakPolarHBondContact CA-OG1 3.17Å; I22-T25 PolarHBondContact O-N 2.88Å; I22-T25 PolarHBondContact O-OG1 3.47Å; T25-I220 HydrophobicContact CG2-CG1 4.12Å; T25-K223 HydrophobicContact CG2-CG 4.46Å; T25-F506 VanDerWaalsContact CB-CZ 3.47Å; T25-F506 VanDerWaalsContact OG1-CE2 3.27Å; T25-F506 WeakPolarHBondContact OG1-CE2 3.28Å; T25-F506 WeakPolarHBondContact OG1-CZ 3.5Å
26R92Very high95.6Very high38 Ų3827.9 Ų27.914%0.14315%0.154CC..SBendtrans-92.5136.9173.1-68.3-61.3177.2179.4-11.7111.5Y6 I22 Y31 E505 F506Y6-R26 PolarHBondContact OH-NE 2.88Å; Y6-R26 PolarHBondContact OH-NH2 3.27Å; I22-R26 HydrophobicContact CG2-CG 4.03Å; I22-R26 WeakPolarHBondContact O-CB 3.45Å; I22-R26 PolarHBondContact O-N 3.04Å; R26-Y31 HydrophobicContact CB-CD1 3.34Å; R26-Y31 HydrophobicContact CB-CE1 3.44Å; R26-Y31 VanDerWaalsContact CB-CE1 3.44Å; R26-Y31 HydrophobicContact CB-CG 4.12Å; R26-Y31 HydrophobicContact CG-CD1 3.96Å; R26-Y31 HydrophobicContact CG-CE1 4.34Å; R26-Y31 HydrophobicContact CG-CG 4.24Å; R26-E505 IonicContact CZ-OE2 2.98Å; R26-E505 VanDerWaalsContact NH2-CD 3.31Å; R26-E505 IonicContact NH2-OE1 3.61Å; R26-E505 PolarHBondContact NH2-OE1 3.23Å; R26-E505 IonicContact NH2-OE2 3.44Å; R26-E505 PolarHBondContact NH2-OE2 3.24Å; R26-F506 HydrophobicContact CB-CZ 4.49Å; R26-F506 VanDerWaalsContact CD-CE1 3.48Å; R26-F506 HydrophobicContact CG-CE1 4.2Å; R26-F506 HydrophobicContact CG-CE2 4.33Å; R26-F506 HydrophobicContact CG-CZ 3.53Å
27P91.3Very high95.6Very high92 Ų9228.7 Ų28.760%0.59716%0.158SC*.PPolyproline II helixtrans-57.3148.2169.6-23.633.4000112.9G29 S30P27-G29 PolarHBondContact O-N 3.29Å; P27-S30 WeakPolarHBondContact O-CB 3.24Å; P27-S30 PolarHBondContact O-N 3.12Å; P27-S30 VanDerWaalsContact O-N 3.15Å; P27-S30 PolarHBondContact O-OG 3.31Å
28L88.5Confident95.5Very high126 Ų12631.6 Ų31.666%0.6618%0.179SC*.THydrogen-bonded Turntrans-58.3133.3177.2-165.575.3000110.8S30 H261L28-S30 PolarHBondContact O-N 2.96Å; L28-H261 WeakPolarHBondContact CD1-CE1 3.26Å
29G86.1Confident95.3Very high45 Ų4533.6 Ų33.646%0.46419%0.193SC..THydrogen-bonded Turntrans75.5-2.6179.700000115.4P27 Y31P27-G29 PolarHBondContact O-N 3.29Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 3.22Å
30S92.3Very high95.2Very high44 Ų4437.9 Ų37.931%0.30822%0.223SC..SBendtrans-83.30.7177.185.10000113.7P4 P27 L28P4-S30 WeakPolarHBondContact CD-O 3.34Å; P27-S30 WeakPolarHBondContact O-CB 3.24Å; P27-S30 PolarHBondContact O-N 3.12Å; P27-S30 VanDerWaalsContact O-N 3.15Å; P27-S30 PolarHBondContact O-OG 3.31Å; L28-S30 PolarHBondContact O-N 2.96Å
31Y94.5Very high95.1Very high3 Ų340.2 Ų40.21%0.01223%0.231CC..  trans-155.7161-176.569.3-74.5000111I3 P4 Y6 I22 S23 R26 G29 L33 H261 I262I3-Y31 VanDerWaalsContact CG2-C 3.5Å; P4-Y31 WeakPolarHBondContact O-CA 3.43Å; Y6-Y31 AromaticContact CD2-CD2 3.86Å; Y6-Y31 HydrophobicContact CD2-CD2 3.86Å; Y6-Y31 HydrophobicContact CD2-CG 4.3Å; Y6-Y31 HydrophobicContact CE2-CD2 4.21Å; Y6-Y31 HydrophobicContact CE2-CG 4.23Å; I22-Y31 HydrophobicContact CG2-CD2 4.06Å; I22-Y31 HydrophobicContact CG2-CE2 3.75Å; S23-Y31 VanDerWaalsContact CA-OH 3.3Å; S23-Y31 WeakPolarHBondContact CA-OH 3.26Å; R26-Y31 HydrophobicContact CB-CD1 3.34Å; R26-Y31 HydrophobicContact CB-CE1 3.44Å; R26-Y31 VanDerWaalsContact CB-CE1 3.44Å; R26-Y31 HydrophobicContact CB-CG 4.12Å; R26-Y31 HydrophobicContact CG-CD1 3.96Å; R26-Y31 HydrophobicContact CG-CE1 4.34Å; R26-Y31 HydrophobicContact CG-CG 4.24Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 3.22Å; Y31-L33 HydrophobicContact CD2-CB 4.04Å; Y31-L33 HydrophobicContact CE2-CB 3.85Å; Y31-L33 HydrophobicContact CE2-CD1 4.2Å; Y31-H261 AromaticContact CE1-NE2 3.41Å; Y31-H261 WeakPolarHBondContact CE1-NE2 3.41Å; Y31-H261 AromaticContact CE2-NE2 3.76Å; Y31-H261 AromaticContact CZ-CD2 3.9Å; Y31-H261 AromaticContact CZ-NE2 3.16Å; Y31-H261 PolarHBondContact O-CD2 2.75Å; Y31-H261 PolarHBondContact OH-NE2 3.04Å; Y31-I262 HydrophobicContact CE2-CD1 4.5Å; Y31-I262 HydrophobicContact CE2-CG1 4.35Å
32R95.8Very high95.1Very high149 Ų14941.8 Ų41.856%0.56224%0.237SC*.EExtended strand (participates in β ladder)trans-111.9145.4162.9-68.6176.164.2114.32.1108.6I3 P4 H5 Y6I3-R32 HydrophobicContact CG2-CG 4.29Å; P4-R32 PolarHBondContact O-N 2.83Å; H5-R32 WeakPolarHBondContact CA-O 3.38Å; H5-R32 HydrophobicContact CB-CB 4.3Å; Y6-R32 PolarHBondContact N-O 3.22Å
33L97.9Very high95.2Very high1 Ų141.9 Ų41.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-136.7130.4177-167.4121.5000109.3Y6 I8 I22 Y31 V35 I262 D263Y6-L33 HydrophobicContact CG-CD1 4.25Å; Y6-L33 CarbonylContact O-C 3.55Å; Y6-L33 WeakPolarHBondContact O-CA 3.39Å; I8-L33 HydrophobicContact CD1-CD1 3.98Å; I8-L33 HydrophobicContact CD1-CD2 4.02Å; I8-L33 HydrophobicContact CD1-CG 4.27Å; I22-L33 HydrophobicContact CB-CD1 4.12Å; I22-L33 HydrophobicContact CD1-CD1 3.68Å; I22-L33 HydrophobicContact CG2-CD1 3.8Å; Y31-L33 HydrophobicContact CD2-CB 4.04Å; Y31-L33 HydrophobicContact CE2-CB 3.85Å; Y31-L33 HydrophobicContact CE2-CD1 4.2Å; L33-V35 HydrophobicContact CD2-CG2 3.62Å; L33-I262 HydrophobicContact CB-CB 4.49Å; L33-I262 HydrophobicContact CB-CG1 4.04Å; L33-I262 HydrophobicContact CB-CG2 4.32Å; L33-I262 HydrophobicContact CD2-CB 4.35Å; L33-I262 HydrophobicContact CD2-CD1 4.26Å; L33-I262 HydrophobicContact CD2-CG1 4.21Å; L33-I262 HydrophobicContact CD2-CG2 3.43Å; L33-I262 VanDerWaalsContact CD2-CG2 3.43Å; L33-I262 WeakPolarHBondContact O-CA 3.46Å; L33-D263 PolarHBondContact O-N 3.03Å
34T98.5Very high95.1Very high5 Ų542.9 Ų42.93%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-120.5130173.3-59.50000108.4H5 Y6 L7 I8 L36 D263H5-T34 PolarHBondContact NE2-OG1 2.71Å; Y6-T34 PolarHBondContact O-N 2.77Å; L7-T34 CarbonylContact C-O 3.48Å; L7-T34 WeakPolarHBondContact CA-O 3.12Å; L7-T34 HydrophobicContact CD1-CG2 4.39Å; I8-T34 PolarHBondContact N-O 2.66Å; T34-L36 HydrophobicContact CG2-CD2 3.58Å; T34-L36 HydrophobicContact CG2-CG 3.95Å; T34-D263 CarbonylContact C-O 3.57Å; T34-D263 WeakPolarHBondContact CA-O 3.44Å
35V98.8Very high95.2Very high0 Ų045.6 Ų45.60%026%0.257CS..EExtended strand (participates in β ladder)trans-113.7119.1174.3-170.40000107.8I8 S19 L33 W42 D263 L264 Q265I8-V35 HydrophobicContact CB-CB 4.43Å; I8-V35 HydrophobicContact CB-CG1 4.18Å; I8-V35 HydrophobicContact CB-CG2 4.15Å; I8-V35 HydrophobicContact CD1-CG2 4.27Å; I8-V35 HydrophobicContact CG2-CG1 4.04Å; I8-V35 WeakPolarHBondContact O-CA 3.45Å; S19-V35 VanDerWaalsContact OG-CG2 3.26Å; S19-V35 WeakPolarHBondContact OG-CG2 3.38Å; L33-V35 HydrophobicContact CD2-CG2 3.62Å; V35-W42 HydrophobicContact CG1-CH2 4.33Å; V35-W42 HydrophobicContact CG1-CZ3 3.89Å; V35-D263 PolarHBondContact N-O 3.23Å; V35-L264 HydrophobicContact CB-CD2 3.6Å; V35-L264 HydrophobicContact CG1-CD2 4.46Å; V35-L264 HydrophobicContact CG2-CD2 3.35Å; V35-Q265 PolarHBondContact O-N 2.96Å
36L98.6Very high95.4Very high2 Ų244.8 Ų44.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-111121.5178.8-58.3-174.8000109.9L7 I8 G10 T34 Q265 C268 V270 Y282 Y284L7-L36 HydrophobicContact CD1-CD1 3.9Å; L7-L36 HydrophobicContact CD1-CG 3.92Å; I8-L36 PolarHBondContact O-N 3.34Å; G10-L36 PolarHBondContact N-O 3.05Å; T34-L36 HydrophobicContact CG2-CD2 3.58Å; T34-L36 HydrophobicContact CG2-CG 3.95Å; L36-Q265 HydrophobicContact CD2-CB 3.79Å; L36-Q265 HydrophobicContact CD2-CG 4.1Å; L36-C268 HydrophobicContact CB-CB 4.08Å; L36-C268 HydrophobicContact CD2-CB 3.87Å; L36-C268 HydrophobicContact CG-CB 4.38Å; L36-V270 HydrophobicContact CB-CG2 4.14Å; L36-V270 HydrophobicContact CD1-CG2 3.63Å; L36-V270 HydrophobicContact CG-CG2 4.48Å; L36-Y282 HydrophobicContact CD1-CD2 4.23Å; L36-Y282 HydrophobicContact CD1-CE2 3.77Å; L36-Y284 HydrophobicContact CD1-CD1 4.14Å; L36-Y284 HydrophobicContact CD1-CD2 4.18Å; L36-Y284 HydrophobicContact CD1-CG 3.86Å
37E98.3Very high95.6Very high17 Ų1745.7 Ų45.78%0.07926%0.257CS..  trans-117129.5175.3171.345.4-130.700110G11 S39 R41 W42 Q265 L266 N267 C268G11-E37 WeakPolarHBondContact CA-OE2 3.3Å; G11-E37 PolarHBondContact N-OE2 2.81Å; E37-S39 VanDerWaalsContact OE1-CB 3.24Å; E37-S39 WeakPolarHBondContact OE1-CB 3.17Å; E37-S39 PolarHBondContact OE1-N 3.05Å; E37-S39 PolarHBondContact OE1-OG 2.98Å; E37-R41 WeakPolarHBondContact CG-O 3.35Å; E37-W42 HydrophobicContact CB-CE3 4.05Å; E37-W42 HydrophobicContact CB-CH2 4.12Å; E37-W42 HydrophobicContact CB-CZ3 3.58Å; E37-W42 HydrophobicContact CG-CE3 4.4Å; E37-W42 HydrophobicContact CG-CZ3 4.41Å; E37-Q265 PolarHBondContact N-O 3.23Å; E37-L266 HydrophobicContact CB-CD2 3.95Å; E37-L266 HydrophobicContact CG-CD2 3.76Å; E37-L266 CarbonylContact O-C 3.51Å; E37-L266 VanDerWaalsContact O-C 3.31Å; E37-L266 WeakPolarHBondContact O-CA 3.37Å; E37-N267 PolarHBondContact O-N 2.75Å; E37-C268 CarbonylContact C-O 3.58Å; E37-C268 PolarHBondContact O-N 3.12Å
38S96.7Very high95.9Very high62 Ų6242.1 Ų42.143%0.43424%0.235SC..SBendtrans-73.6-26.7-175.2560000114.2C268S38-C268 PolarHBondContact N-O 3.34Å
39S95.4Very high96.3Very high42 Ų4237.9 Ų37.929%0.29421%0.214SC..SBendtrans-88.2170.8179.970.10000112E37 R41 N267E37-S39 VanDerWaalsContact OE1-CB 3.24Å; E37-S39 WeakPolarHBondContact OE1-CB 3.17Å; E37-S39 PolarHBondContact OE1-N 3.05Å; E37-S39 PolarHBondContact OE1-OG 2.98Å; S39-R41 PolarHBondContact O-N 2.97Å; S39-R41 PolarHBondContact OG-O 3.33Å; S39-N267 PolarHBondContact O-N 2.91Å
40S95.7Very high96.8Very high90 Ų9041.7 Ų41.763%0.62922%0.218SC*.SBendtrans-81.69.7178.157.50000113.8N267S40-N267 VanDerWaalsContact CA-OD1 3.26Å; S40-N267 WeakPolarHBondContact CA-OD1 3.43Å; S40-N267 WeakPolarHBondContact CB-OD1 3.26Å; S40-N267 PolarHBondContact N-OD1 3.35Å
41R96.9Very high96.9Very high53 Ų5340.5 Ų40.520%0.221%0.208CC..SBendtrans-147.2158-17966176.9-67.2-83.5-2.1112.7E37 S39 G44 I46 E245 L266E37-R41 WeakPolarHBondContact CG-O 3.35Å; S39-R41 PolarHBondContact O-N 2.97Å; S39-R41 PolarHBondContact OG-O 3.33Å; R41-G44 PolarHBondContact NH1-O 2.63Å; R41-I46 PolarHBondContact NH1-O 3.5Å; R41-I46 PolarHBondContact NH2-O 2.87Å; R41-E245 IonicContact CZ-OE1 3.22Å; R41-E245 IonicContact NE-OE1 3.89Å; R41-E245 IonicContact NH2-OE1 2.83Å; R41-E245 PolarHBondContact NH2-OE1 3.2Å; R41-E245 IonicContact NH2-OE2 2.74Å; R41-E245 PolarHBondContact NH2-OE2 2.67Å; R41-L266 VanDerWaalsContact C-CD2 3.41Å; R41-L266 WeakPolarHBondContact O-CD2 3.19Å
42W98.3Very high96.9Very high33 Ų3348.2 Ų48.213%0.12525%0.246CC..SBendtrans-84.9167.1172.2-61.3108.8000111.4L16 V35 E37 I248 V252 L264 L266L16-W42 HydrophobicContact CD1-CB 4.28Å; L16-W42 HydrophobicContact CD2-CE3 3.98Å; L16-W42 HydrophobicContact CD2-CZ3 4.41Å; V35-W42 HydrophobicContact CG1-CH2 4.33Å; V35-W42 HydrophobicContact CG1-CZ3 3.89Å; E37-W42 HydrophobicContact CB-CE3 4.05Å; E37-W42 HydrophobicContact CB-CH2 4.12Å; E37-W42 HydrophobicContact CB-CZ3 3.58Å; E37-W42 HydrophobicContact CG-CE3 4.4Å; E37-W42 HydrophobicContact CG-CZ3 4.41Å; W42-I248 HydrophobicContact CB-CG2 3.64Å; W42-V252 HydrophobicContact CB-CG2 3.9Å; W42-V252 HydrophobicContact CD2-CG2 4.04Å; W42-V252 HydrophobicContact CG-CG2 3.61Å; W42-L264 HydrophobicContact CH2-CB 3.88Å; W42-L264 HydrophobicContact CZ2-CB 3.64Å; W42-L266 HydrophobicContact CD2-CD2 3.56Å; W42-L266 HydrophobicContact CD2-CG 4.29Å; W42-L266 HydrophobicContact CE3-CD2 4Å; W42-L266 HydrophobicContact CG-CD2 3.97Å; W42-L266 HydrophobicContact CH2-CD2 4.09Å; W42-L266 HydrophobicContact CH2-CG 4.4Å; W42-L266 HydrophobicContact CZ2-CD2 3.67Å; W42-L266 HydrophobicContact CZ2-CG 3.66Å; W42-L266 HydrophobicContact CZ3-CD2 4.25Å
43G97.6Very high96.7Very high2 Ų248.1 Ų48.12%0.02126%0.257CS..BIsolated β-bridgetrans99.4-14.2168.300000115.4G11 W45 I46 I248G11-G43 PolarHBondContact O-N 2.84Å; G43-W45 PolarHBondContact O-N 2.89Å; G43-I46 PolarHBondContact O-N 2.76Å; G43-I46 VanDerWaalsContact O-N 3.08Å; G43-I248 VanDerWaalsContact CA-CG2 3.42Å
44G96.3Very high96.5Very high29 Ų2948.8 Ų48.830%0.29926%0.261SS..THydrogen-bonded Turntrans58.3-120.3-179.100000110.3R41 I46R41-G44 PolarHBondContact NH1-O 2.63Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 PolarHBondContact O-N 2.91Å
45W95.8Very high96.3Very high103 Ų10349.3 Ų49.339%0.3927%0.268SS..THydrogen-bonded Turntrans-76.1-12179-55.9119.4000114.8G43 Q47 G61 P62 L443 R444 C446G43-W45 PolarHBondContact O-N 2.89Å; W45-Q47 PolarHBondContact O-N 3.39Å; W45-G61 WeakPolarHBondContact O-CA 3.35Å; W45-P62 WeakPolarHBondContact O-CD 3.18Å; W45-L443 HydrophobicContact CE3-CB 4.41Å; W45-L443 HydrophobicContact CE3-CD2 4.17Å; W45-L443 HydrophobicContact CZ3-CB 4.12Å; W45-L443 HydrophobicContact CZ3-CD2 4.17Å; W45-R444 WeakPolarHBondContact CH2-O 3.26Å; W45-C446 HydrophobicContact CD2-CB 3.67Å; W45-C446 VanDerWaalsContact CE2-CA 3.48Å; W45-C446 HydrophobicContact CE3-CB 3.77Å; W45-C446 HydrophobicContact CG-CB 4.42Å; W45-C446 HydrophobicContact CH2-CB 3.71Å; W45-C446 VanDerWaalsContact CZ2-CA 3.41Å; W45-C446 HydrophobicContact CZ2-CB 3.59Å; W45-C446 HydrophobicContact CZ3-CB 3.79Å; W45-C446 PolarHBondContact NE1-O 3.47Å
46I97.9Very high96.2Very high5 Ų549.3 Ų49.33%0.02627%0.268CS..  trans-77.2118.1170.8-66.5170.6000107.6L13 R41 G43 G44 P62 L244 E245 I248 L491L13-I46 HydrophobicContact CB-CD1 3.93Å; L13-I46 HydrophobicContact CD1-CD1 4.33Å; L13-I46 HydrophobicContact CD2-CD1 4.04Å; L13-I46 HydrophobicContact CG-CD1 4.32Å; R41-I46 PolarHBondContact NH1-O 3.5Å; R41-I46 PolarHBondContact NH2-O 2.87Å; G43-I46 PolarHBondContact O-N 2.76Å; G43-I46 VanDerWaalsContact O-N 3.08Å; G44-I46 VanDerWaalsContact C-N 3.31Å; G44-I46 PolarHBondContact O-N 2.91Å; I46-P62 HydrophobicContact CB-CG 4.46Å; I46-P62 HydrophobicContact CG1-CG 3.57Å; I46-L244 HydrophobicContact CG2-CB 3.78Å; I46-E245 HydrophobicContact CG2-CB 4.34Å; I46-I248 HydrophobicContact CB-CG1 4.11Å; I46-I248 HydrophobicContact CD1-CD1 4.01Å; I46-I248 HydrophobicContact CD1-CG1 4.36Å; I46-I248 HydrophobicContact CG2-CG1 3.86Å; I46-L491 HydrophobicContact CD1-CD1 4.37Å; I46-L491 HydrophobicContact CD1-CD2 3.87Å; I46-L491 HydrophobicContact CG1-CD2 4.18Å
47Q97.1Very high96.1Very high56 Ų5650.1 Ų50.126%0.26227%0.272SS..  trans-152.2131.4177.2-176.4176.910.600109.6W45 V49 I60 E245W45-Q47 PolarHBondContact O-N 3.39Å; Q47-V49 HydrophobicContact CG-CG2 4.38Å; Q47-I60 HydrophobicContact CB-CB 4.2Å; Q47-I60 HydrophobicContact CB-CG1 4.5Å; Q47-I60 HydrophobicContact CG-CB 4.44Å; Q47-I60 HydrophobicContact CG-CG1 4.25Å; Q47-I60 PolarHBondContact O-N 2.85Å; Q47-E245 VanDerWaalsContact CA-OE2 3.3Å; Q47-E245 WeakPolarHBondContact CA-OE2 3.4Å
48S98Very high96.1Very high18 Ų1849.6 Ų49.613%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-125.4121.8179.3-48.80000109Y58 E59 G243 L244 E245S48-Y58 CarbonylContact C-O 3.4Å; S48-Y58 VanDerWaalsContact CA-O 3.22Å; S48-Y58 WeakPolarHBondContact CA-O 3.08Å; S48-E59 PolarHBondContact OG-OE2 3.31Å; S48-G243 WeakPolarHBondContact OG-CA 3.31Å; S48-L244 PolarHBondContact OG-N 3.46Å; S48-E245 PolarHBondContact N-OE2 3.21Å; S48-E245 WeakPolarHBondContact OG-CB 3.37Å; S48-E245 PolarHBondContact OG-N 3.46Å; S48-E245 VanDerWaalsContact OG-N 3.08Å
49V96.3Very high96.1Very high36 Ų3646.8 Ų46.822%0.21825%0.249CC..EExtended strand (participates in β ladder)trans-109.3127.2-178.6177.50000109.5Q47 I57 Y58 I60Q47-V49 HydrophobicContact CG-CG2 4.38Å; V49-I57 CarbonylContact O-C 3.42Å; V49-Y58 PolarHBondContact N-O 3.13Å; V49-Y58 PolarHBondContact O-N 2.85Å; V49-I60 HydrophobicContact CB-CD1 4.46Å; V49-I60 HydrophobicContact CG2-CD1 4.19Å; V49-I60 HydrophobicContact CG2-CG1 3.83Å
50K96.2Very high96.1Very high126 Ų12644.8 Ų44.855%0.54824%0.235SC..EExtended strand (participates in β ladder)trans-91.3124.2174-170.1175-178.7178.80110.4M52 G55 S56 I57K50-M52 PolarHBondContact O-N 3.21Å; K50-G55 WeakPolarHBondContact CE-O 3.43Å; K50-S56 CarbonylContact C-O 3.48Å; K50-S56 WeakPolarHBondContact CA-O 3.1Å; K50-I57 HydrophobicContact CG-CG1 4.45Å
51N95Very high96Very high19 Ų1941.2 Ų41.210%0.10221%0.213CC..  trans-69117.3166.1-175.2-21.4000108.6D53 T54 G55 S56 Y58 E343N51-D53 VanDerWaalsContact C-N 3.31Å; N51-D53 PolarHBondContact O-N 3.48Å; N51-D53 PolarHBondContact OD1-N 3.32Å; N51-T54 WeakPolarHBondContact CB-OG1 3.27Å; N51-T54 PolarHBondContact ND2-OG1 2.79Å; N51-T54 PolarHBondContact OD1-N 2.98Å; N51-G55 WeakPolarHBondContact O-CA 3.04Å; N51-G55 PolarHBondContact O-N 3.15Å; N51-S56 PolarHBondContact N-O 2.62Å; N51-Y58 HydrophobicContact CB-CE2 4.06Å; N51-Y58 PolarHBondContact ND2-OH 3.17Å; N51-E343 PolarHBondContact ND2-OE2 3.09Å
52M93.5Very high96Very high164 Ų16440.3 Ų40.381%0.80821%0.213SC*.THydrogen-bonded Turntrans-72-25.9-176-66.5-62.5-73.600112.9K50K50-M52 PolarHBondContact O-N 3.21Å
53D92Very high95.8Very high148 Ų14839.5 Ų39.579%0.79121%0.211SC*.THydrogen-bonded Turntrans-80.9-40.9-178.4-61-38.5000111.7N51N51-D53 VanDerWaalsContact C-N 3.31Å; N51-D53 PolarHBondContact O-N 3.48Å; N51-D53 PolarHBondContact OD1-N 3.32Å
54T92.9Very high95.7Very high15 Ų1540.8 Ų40.89%0.09222%0.22CC..THydrogen-bonded Turntrans-99.6-24-176.164.20000113.2N51 S56 E343 G382 F383N51-T54 WeakPolarHBondContact CB-OG1 3.27Å; N51-T54 PolarHBondContact ND2-OG1 2.79Å; N51-T54 PolarHBondContact OD1-N 2.98Å; T54-S56 VanDerWaalsContact C-N 3.26Å; T54-S56 WeakPolarHBondContact OG1-CB 3.1Å; T54-S56 PolarHBondContact OG1-N 3.25Å; T54-S56 PolarHBondContact OG1-OG 3.28Å; T54-E343 WeakPolarHBondContact CB-OE1 3.4Å; T54-E343 WeakPolarHBondContact CG2-OE2 3.09Å; T54-E343 PolarHBondContact OG1-OE1 3.11Å; T54-E343 PolarHBondContact OG1-OE2 3.3Å; T54-G382 CarbonylContact O-C 3.58Å; T54-G382 WeakPolarHBondContact O-CA 3.39Å; T54-F383 PolarHBondContact O-N 3.36Å
55G94.8Very high95.7Very high16 Ų1639.6 Ų39.617%0.16521%0.207CC..  trans82.6-2.8-171.600000114.3K50 N51K50-G55 WeakPolarHBondContact CE-O 3.43Å; N51-G55 WeakPolarHBondContact O-CA 3.04Å; N51-G55 PolarHBondContact O-N 3.15Å
56S96.3Very high95.6Very high0 Ų041.1 Ų41.10%021%0.213CC..  trans-62.4146.3179.4-76.20000112.5K50 N51 T54 E343 G382K50-S56 CarbonylContact C-O 3.48Å; K50-S56 WeakPolarHBondContact CA-O 3.1Å; N51-S56 PolarHBondContact N-O 2.62Å; T54-S56 VanDerWaalsContact C-N 3.26Å; T54-S56 WeakPolarHBondContact OG1-CB 3.1Å; T54-S56 PolarHBondContact OG1-N 3.25Å; T54-S56 PolarHBondContact OG1-OG 3.28Å; S56-E343 WeakPolarHBondContact CB-OE1 3.36Å; S56-E343 PolarHBondContact OG-OE1 3.02Å; S56-G382 PolarHBondContact OG-N 3.06Å
57I97.4Very high95.4Very high19 Ų1941 Ų4110%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-108.3130.9176.9-62.3165.8000109.6V49 K50 S241 L380 R388V49-I57 CarbonylContact O-C 3.42Å; K50-I57 HydrophobicContact CG-CG1 4.45Å; I57-S241 WeakPolarHBondContact CD1-O 3.16Å; I57-L380 HydrophobicContact CB-CB 4.26Å; I57-L380 HydrophobicContact CB-CD2 4.45Å; I57-L380 HydrophobicContact CD1-CD2 4.04Å; I57-L380 PolarHBondContact N-O 2.61Å; I57-R388 PolarHBondContact O-NH1 2.99Å
58Y97.6Very high94.8Very high5 Ų543.7 Ų43.72%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-108.9122.8178.1-55.3-27.8000109.7S48 V49 N51 V341 E343 R388 H439S48-Y58 CarbonylContact C-O 3.4Å; S48-Y58 VanDerWaalsContact CA-O 3.22Å; S48-Y58 WeakPolarHBondContact CA-O 3.08Å; V49-Y58 PolarHBondContact N-O 3.13Å; V49-Y58 PolarHBondContact O-N 2.85Å; N51-Y58 HydrophobicContact CB-CE2 4.06Å; N51-Y58 PolarHBondContact ND2-OH 3.17Å; Y58-V341 HydrophobicContact CD1-CG1 3.64Å; Y58-V341 HydrophobicContact CD2-CG1 4.37Å; Y58-V341 HydrophobicContact CE1-CG1 4.21Å; Y58-V341 HydrophobicContact CG-CB 4.39Å; Y58-V341 HydrophobicContact CG-CG1 3.73Å; Y58-E343 HydrophobicContact CE1-CB 4.15Å; Y58-E343 VanDerWaalsContact OH-CB 3.28Å; Y58-E343 WeakPolarHBondContact OH-CB 3.29Å; Y58-E343 PolarHBondContact OH-OE2 3.34Å; Y58-R388 HydrophobicContact CE1-CG 4.2Å; Y58-H439 HydrophobicContact CD2-CB 3.76Å; Y58-H439 HydrophobicContact CE2-CB 4.3Å
59E97.6Very high94.1Very high3 Ų344.3 Ų44.31%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-85.8124.9168.1-64.2-72.3-166.200108.7S48 T239 G243 L244S48-E59 PolarHBondContact OG-OE2 3.31Å; E59-T239 PolarHBondContact OE1-OG1 2.92Å; E59-G243 WeakPolarHBondContact OE1-CA 3.31Å; E59-L244 PolarHBondContact OE1-N 2.87Å
60I95.2Very high93.5Very high1 Ų145.3 Ų45.31%0.00524%0.239CC..SBendtrans-95.6-33.4-173.7-53-46.1000111.6Q47 V49 S339 V341 H439 S441 L443Q47-I60 HydrophobicContact CB-CB 4.2Å; Q47-I60 HydrophobicContact CB-CG1 4.5Å; Q47-I60 HydrophobicContact CG-CB 4.44Å; Q47-I60 HydrophobicContact CG-CG1 4.25Å; Q47-I60 PolarHBondContact O-N 2.85Å; V49-I60 HydrophobicContact CB-CD1 4.46Å; V49-I60 HydrophobicContact CG2-CD1 4.19Å; V49-I60 HydrophobicContact CG2-CG1 3.83Å; I60-S339 PolarHBondContact O-OG 3.47Å; I60-V341 HydrophobicContact CD1-CG2 3.97Å; I60-H439 HydrophobicContact CD1-CB 4.03Å; I60-H439 WeakPolarHBondContact CD1-CD2 3.47Å; I60-S441 WeakPolarHBondContact CG2-OG 3.39Å; I60-L443 HydrophobicContact CG2-CD2 4.34Å
61G93.7Very high93Very high15 Ų1539.7 Ų39.716%0.15522%0.216CC..SBendtrans-106.9-110.7176.500000112.4W45 H63W45-G61 WeakPolarHBondContact O-CA 3.35Å; G61-H63 PolarHBondContact O-CD2 3.28Å; G61-H63 VanDerWaalsContact O-CD2 3.29Å
62P95.7Very high92.7Very high34 Ų3439.1 Ų39.122%0.22121%0.213CC..  trans-68.4135.7174.929.9-32.4000110.3W45 I46 L244 L491W45-P62 WeakPolarHBondContact O-CD 3.18Å; I46-P62 HydrophobicContact CB-CG 4.46Å; I46-P62 HydrophobicContact CG1-CG 3.57Å; P62-L244 HydrophobicContact CB-CD1 4.21Å; P62-L244 HydrophobicContact CG-CD1 4.13Å; P62-L244 WeakPolarHBondContact O-CD1 3.31Å; P62-L491 HydrophobicContact CB-CD1 4.15Å; P62-L491 HydrophobicContact CB-CD2 4.29Å; P62-L491 HydrophobicContact CB-CG 4.35Å; P62-L491 HydrophobicContact CG-CD1 4.21Å; P62-L491 HydrophobicContact CG-CD2 4.06Å
63H94.2Very high92.6Very high15 Ų1532.5 Ų32.57%0.06919%0.187CC..  trans-89.9-21179.4-74.8-115.1000113.5G61 I371 D373 T390 M392G61-H63 PolarHBondContact O-CD2 3.28Å; G61-H63 VanDerWaalsContact O-CD2 3.29Å; H63-I371 HydrophobicContact CB-CD1 4.36Å; H63-I371 VanDerWaalsContact CD2-CD1 3.45Å; H63-I371 WeakPolarHBondContact CD2-CD1 3.45Å; H63-I371 WeakPolarHBondContact NE2-CD1 3.5Å; H63-D373 IonicContact CE1-OD1 2.8Å; H63-D373 PolarHBondContact CE1-OD1 3.18Å; H63-D373 IonicContact ND1-OD1 2.77Å; H63-D373 PolarHBondContact ND1-OD1 3.37Å; H63-T390 PolarHBondContact CE1-OG1 3.13Å; H63-M392 WeakPolarHBondContact NE2-CE 3.25Å
64S96.1Very high92.8Very high30 Ų3025.6 Ų25.621%0.2115%0.15CC..  trans-167163.9-179.556.30000112.2W238S64-W238 CarbonylContact C-O 3.41Å; S64-W238 WeakPolarHBondContact CA-O 3.49Å; S64-W238 VanDerWaalsContact CB-O 3.26Å; S64-W238 WeakPolarHBondContact CB-O 3.17Å
65A97Very high92.9Very high4 Ų424.9 Ų24.93%0.03315%0.145CC..EExtended strand (participates in β ladder)trans-102.1145.4165.700000110.7A67 L75 A237 W238 L491A65-A67 PolarHBondContact O-N 3.33Å; A65-L75 HydrophobicContact CB-CD2 4.02Å; A65-A237 CarbonylContact O-C 3.56Å; A65-A237 WeakPolarHBondContact O-CA 3.49Å; A65-A237 WeakPolarHBondContact O-CB 3.41Å; A65-W238 HydrophobicContact CB-CD2 4.11Å; A65-W238 VanDerWaalsContact CB-CE2 3.46Å; A65-W238 HydrophobicContact CB-CH2 4.09Å; A65-W238 HydrophobicContact CB-CZ2 3.46Å; A65-W238 VanDerWaalsContact CB-CZ2 3.46Å; A65-W238 PolarHBondContact N-O 3.26Å; A65-W238 PolarHBondContact O-N 2.93Å; A65-L491 HydrophobicContact CB-CD1 4.21Å
66R93.9Very high93Very high135 Ų13524.1 Ų24.151%0.50914%0.138SC..EExtended strand (participates in β ladder)trans-68.7130.9175-68.3-174.8-71.4-171.8-3.5110K68 S72 N492 D493R66-K68 VanDerWaalsContact C-N 3.34Å; R66-S72 VanDerWaalsContact O-CB 3.32Å; R66-S72 WeakPolarHBondContact O-CB 3.12Å; R66-N492 PolarHBondContact O-ND2 2.72Å; R66-N492 VanDerWaalsContact O-ND2 3.11Å; R66-D493 IonicContact NH2-OD2 2.76Å
67A93.7Very high93Very high1 Ų124.5 Ų24.51%0.00814%0.139CC..SBendtrans-72.5-30.6176.700000111.9A65 S72 W90 I231 A235 I236A65-A67 PolarHBondContact O-N 3.33Å; A67-S72 WeakPolarHBondContact O-CB 3.35Å; A67-S72 PolarHBondContact O-OG 3.31Å; A67-W90 HydrophobicContact CB-CZ3 4.15Å; A67-I231 HydrophobicContact CB-CG2 4.25Å; A67-A235 HydrophobicContact CB-CB 3.75Å; A67-I236 WeakPolarHBondContact CB-O 3.36Å; A67-I236 PolarHBondContact N-O 3.25Å
68K84.9Confident93Very high113 Ų11323.6 Ų23.649%0.49114%0.135SC..SBendtrans-129.698.5-177.2-62.6179.4-174.31720111.1R66 S233 A235R66-K68 VanDerWaalsContact C-N 3.34Å; K68-S233 PolarHBondContact NZ-O 2.74Å; K68-A235 WeakPolarHBondContact CE-O 3.22Å
69S83.3Confident93Very high32 Ų3223.4 Ų23.422%0.22413%0.134CC..SBendtrans-139.7170.6163.166.50000108.7T71 S72 N492S69-T71 PolarHBondContact O-N 3.45Å; S69-T71 VanDerWaalsContact O-N 3.14Å; S69-T71 PolarHBondContact OG-N 2.79Å; S69-T71 PolarHBondContact OG-OG1 2.91Å; S69-T71 VanDerWaalsContact OG-OG1 3.07Å; S69-S72 PolarHBondContact N-OG 3.02Å; S69-S72 PolarHBondContact O-N 2.82Å; S69-S72 PolarHBondContact O-OG 3.36Å; S69-S72 PolarHBondContact OG-N 3.44Å; S69-S72 VanDerWaalsContact OG-N 3.11Å; S69-N492 PolarHBondContact OG-ND2 2.9Å
70A81.8Confident93Very high56 Ų5625.3 Ų25.346%0.46314%0.142SC..THydrogen-bonded Turntrans-57.6-27.4174.600000112.4I214A70-I214 HydrophobicContact CB-CB 4.47Å; A70-I214 HydrophobicContact CB-CD1 3.52Å; A70-I214 HydrophobicContact CB-CG1 3.85Å
71T86.2Confident93.1Very high8 Ų826.2 Ų26.25%0.04915%0.148CC..THydrogen-bonded Turntrans-99.3-9.7-178.946.70000114.9S69 G73 L74 I214 N492 D493 Y496S69-T71 PolarHBondContact O-N 3.45Å; S69-T71 VanDerWaalsContact O-N 3.14Å; S69-T71 PolarHBondContact OG-N 2.79Å; S69-T71 PolarHBondContact OG-OG1 2.91Å; S69-T71 VanDerWaalsContact OG-OG1 3.07Å; T71-G73 VanDerWaalsContact C-N 3.3Å; T71-G73 PolarHBondContact O-N 3Å; T71-L74 PolarHBondContact O-N 2.87Å; T71-I214 HydrophobicContact CG2-CD1 3.37Å; T71-N492 WeakPolarHBondContact OG1-CB 3.27Å; T71-D493 PolarHBondContact OG1-OD1 2.8Å; T71-Y496 HydrophobicContact CG2-CD1 3.97Å; T71-Y496 HydrophobicContact CG2-CD2 4.43Å; T71-Y496 HydrophobicContact CG2-CG 3.73Å
72S89Confident93.4Very high8 Ų826 Ų266%0.05614%0.144CC..Hα-helixtrans-68-27.5-169.765.50000114.4R66 A67 S69 L74 M76 N492R66-S72 VanDerWaalsContact O-CB 3.32Å; R66-S72 WeakPolarHBondContact O-CB 3.12Å; A67-S72 WeakPolarHBondContact O-CB 3.35Å; A67-S72 PolarHBondContact O-OG 3.31Å; S69-S72 PolarHBondContact N-OG 3.02Å; S69-S72 PolarHBondContact O-N 2.82Å; S69-S72 PolarHBondContact O-OG 3.36Å; S69-S72 PolarHBondContact OG-N 3.44Å; S69-S72 VanDerWaalsContact OG-N 3.11Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 3.32Å; S72-M76 PolarHBondContact O-N 3.32Å; S72-M76 VanDerWaalsContact O-N 3.16Å; S72-N492 WeakPolarHBondContact CB-ND2 3.32Å
73G92.1Very high93.4Very high24 Ų2431.6 Ų31.625%0.24717%0.166CC..Hα-helixtrans-59.6-41.118000000112.3T71 M76 R77T71-G73 VanDerWaalsContact C-N 3.3Å; T71-G73 PolarHBondContact O-N 3Å; G73-M76 PolarHBondContact O-N 3.45Å; G73-R77 WeakPolarHBondContact O-CG 3.14Å; G73-R77 PolarHBondContact O-N 3.35Å
74L94.9Very high93.6Very high3 Ų331.4 Ų31.42%0.01617%0.166CC..Hα-helixtrans-66.4-48.6-176.8179.861.2000112.1T71 S72 M76 R77 I78 I216 I220 L224 V495 Y496 A499T71-L74 PolarHBondContact O-N 2.87Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 3.32Å; L74-M76 VanDerWaalsContact C-N 3.31Å; L74-M76 PolarHBondContact O-N 3.36Å; L74-R77 PolarHBondContact O-N 2.88Å; L74-R77 VanDerWaalsContact O-N 3.13Å; L74-I78 PolarHBondContact O-N 3.15Å; L74-I78 VanDerWaalsContact O-N 3.13Å; L74-I216 HydrophobicContact CB-CD1 4.03Å; L74-I216 HydrophobicContact CD1-CD1 4.23Å; L74-I216 HydrophobicContact CD1-CG2 4.18Å; L74-I220 HydrophobicContact CD1-CG2 4.18Å; L74-L224 HydrophobicContact CD1-CD1 3.48Å; L74-L224 VanDerWaalsContact CD1-CD1 3.48Å; L74-V495 HydrophobicContact CB-CG1 4.29Å; L74-V495 HydrophobicContact CD2-CG1 3.7Å; L74-V495 HydrophobicContact CG-CG1 3.63Å; L74-Y496 HydrophobicContact CD2-CD2 4.42Å; L74-A499 HydrophobicContact CD2-CB 3.55Å
75L96.4Very high93.6Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-60.6-42.3176.7175.555.8000111.1A65 R77 I78 V79 W238 L247 L491 N492 V495A65-L75 HydrophobicContact CB-CD2 4.02Å; L75-R77 VanDerWaalsContact C-N 3.25Å; L75-R77 PolarHBondContact O-N 3.31Å; L75-I78 WeakPolarHBondContact O-CB 3.1Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-I78 VanDerWaalsContact O-N 3.13Å; L75-V79 HydrophobicContact CD1-CG2 4.4Å; L75-V79 WeakPolarHBondContact O-CG2 3Å; L75-V79 PolarHBondContact O-N 2.85Å; L75-W238 HydrophobicContact CD2-CH2 3.95Å; L75-W238 HydrophobicContact CD2-CZ2 3.6Å; L75-W238 HydrophobicContact CG-CH2 4.03Å; L75-W238 HydrophobicContact CG-CZ2 3.75Å; L75-L247 HydrophobicContact CD1-CD2 3.86Å; L75-L491 HydrophobicContact CD2-CB 4.06Å; L75-N492 VanDerWaalsContact CD2-OD1 3.29Å; L75-N492 WeakPolarHBondContact CD2-OD1 3.37Å; L75-V495 HydrophobicContact CB-CB 4.41Å; L75-V495 HydrophobicContact CB-CG1 4.22Å; L75-V495 HydrophobicContact CB-CG2 4.19Å; L75-V495 HydrophobicContact CD1-CG2 3.81Å; L75-V495 HydrophobicContact CG-CG2 4.37Å
76M96.4Very high93.6Very high1 Ų138.1 Ų38.11%0.00521%0.206CC..Hα-helixtrans-62.9-32.5177.7-170.660.655.800112.6S72 G73 L74 V79 K80 L88 W90 L227 L230 I231 W238S72-M76 PolarHBondContact O-N 3.32Å; S72-M76 VanDerWaalsContact O-N 3.16Å; G73-M76 PolarHBondContact O-N 3.45Å; L74-M76 VanDerWaalsContact C-N 3.31Å; L74-M76 PolarHBondContact O-N 3.36Å; M76-V79 PolarHBondContact O-N 2.96Å; M76-V79 HydrophobicContact SD-CB 4.46Å; M76-V79 HydrophobicContact SD-CG1 4.45Å; M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.27Å; M76-L88 HydrophobicContact CE-CD2 4.24Å; M76-L88 HydrophobicContact SD-CD1 3.84Å; M76-L88 HydrophobicContact SD-CD2 4.26Å; M76-W90 HydrophobicContact CE-CH2 3.52Å; M76-W90 HydrophobicContact CE-CZ3 3.96Å; M76-W90 HydrophobicContact SD-CH2 4.05Å; M76-L227 HydrophobicContact CB-CD1 4.06Å; M76-L227 HydrophobicContact CB-CD2 3.89Å; M76-L227 HydrophobicContact CG-CD1 4.07Å; M76-L227 HydrophobicContact CG-CD2 3.52Å; M76-L227 HydrophobicContact CG-CG 4.45Å; M76-L230 HydrophobicContact CG-CD2 3.89Å; M76-L230 HydrophobicContact SD-CD2 3.81Å; M76-L230 HydrophobicContact SD-CG 4.32Å; M76-I231 HydrophobicContact CB-CD1 4.19Å; M76-I231 HydrophobicContact CE-CG1 4.42Å; M76-I231 HydrophobicContact CG-CD1 3.93Å; M76-I231 HydrophobicContact CG-CG1 3.85Å; M76-W238 HydrophobicContact CE-CD2 3.81Å; M76-W238 VanDerWaalsContact CE-CE2 3.42Å; M76-W238 HydrophobicContact CE-CG 3.94Å; M76-W238 HydrophobicContact CE-CZ2 3.96Å; M76-W238 VanDerWaalsContact CE-NE1 3.31Å
77R96.5Very high93.8Very high8 Ų833 Ų333%0.0319%0.19CC..Hα-helixtrans-71.5-31.6176.1-68.8170.969.4-159.811.7112.6G73 L74 L75 K80 S81 D221 L224 P225 L227G73-R77 WeakPolarHBondContact O-CG 3.14Å; G73-R77 PolarHBondContact O-N 3.35Å; L74-R77 PolarHBondContact O-N 2.88Å; L74-R77 VanDerWaalsContact O-N 3.13Å; L75-R77 VanDerWaalsContact C-N 3.25Å; L75-R77 PolarHBondContact O-N 3.31Å; R77-K80 PolarHBondContact O-N 2.73Å; R77-S81 WeakPolarHBondContact O-CB 3.13Å; R77-S81 PolarHBondContact O-N 3.01Å; R77-S81 PolarHBondContact O-OG 3.05Å; R77-D221 IonicContact CZ-OD1 2.85Å; R77-D221 IonicContact NH1-OD1 2.72Å; R77-D221 PolarHBondContact NH1-OD1 3.4Å; R77-D221 PolarHBondContact NH2-O 3.21Å; R77-D221 IonicContact NH2-OD1 3.62Å; R77-D221 PolarHBondContact NH2-OD1 3.08Å; R77-L224 HydrophobicContact CB-CB 4.15Å; R77-L224 HydrophobicContact CB-CD1 4.37Å; R77-L224 PolarHBondContact NH2-O 3.27Å; R77-P225 VanDerWaalsContact CG-O 3.31Å; R77-P225 WeakPolarHBondContact CG-O 3.45Å; R77-P225 PolarHBondContact NE-O 3Å; R77-L227 HydrophobicContact CB-CD2 4.29Å; R77-L227 HydrophobicContact CG-CD1 4.24Å; R77-L227 HydrophobicContact CG-CD2 3.48Å; R77-L227 VanDerWaalsContact CG-CD2 3.48Å; R77-L227 HydrophobicContact CG-CG 3.63Å
78I97.6Very high94Very high0 Ų033.6 Ų33.60%019%0.194CC..Hα-helixtrans-68.9-45.4171-66.1170.2000110.4V17 Y20 L21 L74 L75 K80 S81 L82 L224 V495V17-I78 HydrophobicContact CG1-CD1 3.76Å; V17-I78 HydrophobicContact CG2-CD1 4.49Å; Y20-I78 HydrophobicContact CD1-CG1 4.47Å; Y20-I78 HydrophobicContact CD1-CG2 4.12Å; Y20-I78 HydrophobicContact CE1-CG1 4.33Å; Y20-I78 HydrophobicContact CE1-CG2 4.01Å; L21-I78 HydrophobicContact CD2-CD1 4.45Å; L74-I78 PolarHBondContact O-N 3.15Å; L74-I78 VanDerWaalsContact O-N 3.13Å; L75-I78 WeakPolarHBondContact O-CB 3.1Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-I78 VanDerWaalsContact O-N 3.13Å; I78-K80 PolarHBondContact O-N 2.87Å; I78-S81 WeakPolarHBondContact CA-OG 3.33Å; I78-S81 PolarHBondContact O-N 2.89Å; I78-S81 VanDerWaalsContact O-N 3.17Å; I78-S81 PolarHBondContact O-OG 2.76Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.45Å; I78-L82 WeakPolarHBondContact O-CB 3.3Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.24Å; I78-L82 PolarHBondContact O-N 3.13Å; I78-L224 HydrophobicContact CG1-CD1 4.2Å; I78-L224 HydrophobicContact CG1-CD2 4.22Å; I78-V495 HydrophobicContact CD1-CG1 3.63Å
79V98Very high94.6Very high0 Ų028.5 Ų28.50%017%0.172CC..Hα-helixtrans-54.3-44173.1170.90000110.5L75 M76 L82 H83 L84 L88 W238 L247L75-V79 HydrophobicContact CD1-CG2 4.4Å; L75-V79 WeakPolarHBondContact O-CG2 3Å; L75-V79 PolarHBondContact O-N 2.85Å; M76-V79 PolarHBondContact O-N 2.96Å; M76-V79 HydrophobicContact SD-CB 4.46Å; M76-V79 HydrophobicContact SD-CG1 4.45Å; V79-L82 PolarHBondContact O-N 3.06Å; V79-H83 PolarHBondContact O-N 2.8Å; V79-L84 HydrophobicContact CG1-CB 3.73Å; V79-L84 WeakPolarHBondContact O-CB 3.3Å; V79-L84 PolarHBondContact O-N 2.76Å; V79-L84 VanDerWaalsContact O-N 3.08Å; V79-L88 HydrophobicContact CG1-CD1 4.32Å; V79-L88 HydrophobicContact CG1-CD2 4.08Å; V79-L88 HydrophobicContact CG1-CG 4.26Å; V79-W238 HydrophobicContact CG2-CH2 3.5Å; V79-W238 HydrophobicContact CG2-CZ2 4.22Å; V79-W238 HydrophobicContact CG2-CZ3 4Å; V79-L247 HydrophobicContact CG2-CD1 4.32Å
80K97.4Very high95.3Very high44 Ų4429.8 Ų29.819%0.19117%0.172CC..Hα-helixtrans-65.1-44.6176.7-167.2178.4-179.6165.40113M76 R77 I78 L82 H83 E85 P225 Q226 L227 L230M76-K80 WeakPolarHBondContact O-CB 3.46Å; M76-K80 PolarHBondContact O-N 3.27Å; R77-K80 PolarHBondContact O-N 2.73Å; I78-K80 PolarHBondContact O-N 2.87Å; K80-L82 PolarHBondContact O-N 2.94Å; K80-H83 PolarHBondContact O-N 3.08Å; K80-E85 HydrophobicContact CB-CG 4.32Å; K80-E85 HydrophobicContact CG-CG 3.95Å; K80-E85 WeakPolarHBondContact CG-OE1 3.47Å; K80-P225 HydrophobicContact CB-CG 3.95Å; K80-P225 HydrophobicContact CD-CB 4.01Å; K80-P225 HydrophobicContact CD-CG 3.98Å; K80-P225 HydrophobicContact CG-CB 4.36Å; K80-P225 HydrophobicContact CG-CG 3.9Å; K80-Q226 WeakPolarHBondContact CD-O 3.32Å; K80-Q226 WeakPolarHBondContact CE-O 3.35Å; K80-Q226 PolarHBondContact NZ-O 2.88Å; K80-L227 HydrophobicContact CD-CD2 4.46Å; K80-L227 PolarHBondContact NZ-O 3.04Å; K80-L230 HydrophobicContact CB-CD2 4.18Å; K80-L230 HydrophobicContact CD-CD2 4.24Å; K80-L230 HydrophobicContact CG-CD2 4.3Å
81S97.5Very high96Very high20 Ų2027.5 Ų27.514%0.1415%0.152CC..Hα-helixtrans-67.4-21.3179.564.20000113.2Y20 R77 I78 H83Y20-S81 VanDerWaalsContact OH-CB 3.25Å; Y20-S81 WeakPolarHBondContact OH-CB 3.38Å; Y20-S81 PolarHBondContact OH-OG 2.89Å; R77-S81 WeakPolarHBondContact O-CB 3.13Å; R77-S81 PolarHBondContact O-N 3.01Å; R77-S81 PolarHBondContact O-OG 3.05Å; I78-S81 WeakPolarHBondContact CA-OG 3.33Å; I78-S81 PolarHBondContact O-N 2.89Å; I78-S81 VanDerWaalsContact O-N 3.17Å; I78-S81 PolarHBondContact O-OG 2.76Å; S81-H83 VanDerWaalsContact C-N 3.35Å; S81-H83 PolarHBondContact O-ND1 3.44Å
82L97.9Very high96.4Very high11 Ų1131.7 Ų31.76%0.05817%0.167CC..THydrogen-bonded Turntrans-90.15.4174-64.5170.3000113.5Y20 I78 V79 K80 L84 L247 T250 I251 H254Y20-L82 HydrophobicContact CD2-CD2 4.49Å; Y20-L82 HydrophobicContact CE2-CD2 3.84Å; I78-L82 HydrophobicContact CG2-CD1 3.81Å; I78-L82 HydrophobicContact CG2-CG 4.45Å; I78-L82 WeakPolarHBondContact O-CB 3.3Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.24Å; I78-L82 PolarHBondContact O-N 3.13Å; V79-L82 PolarHBondContact O-N 3.06Å; K80-L82 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 HydrophobicContact CB-CD1 4.1Å; L82-L84 HydrophobicContact CB-CG 4.19Å; L82-L84 HydrophobicContact CD1-CD1 4.47Å; L82-L84 PolarHBondContact O-N 3.36Å; L82-L247 HydrophobicContact CD1-CD1 3.75Å; L82-T250 HydrophobicContact CB-CG2 3.95Å; L82-T250 HydrophobicContact CD2-CG2 4.33Å; L82-I251 HydrophobicContact CD1-CD1 4.3Å; L82-I251 HydrophobicContact CD1-CG1 3.5Å; L82-I251 VanDerWaalsContact CD1-CG1 3.5Å; L82-H254 HydrophobicContact CD2-CB 4.03Å
83H97.2Very high96.6Very high150 Ų15036.9 Ų36.969%0.69419%0.19SC*.THydrogen-bonded Turntrans60.832.3179.4-52.984.1000113.9V79 K80 S81 E85V79-H83 PolarHBondContact O-N 2.8Å; K80-H83 PolarHBondContact O-N 3.08Å; S81-H83 VanDerWaalsContact C-N 3.35Å; S81-H83 PolarHBondContact O-ND1 3.44Å; H83-E85 WeakPolarHBondContact CA-OE2 3.4Å
84L98.1Very high96.6Very high11 Ų1139.7 Ų39.76%0.05822%0.219CC..  trans-93.77.3-178.7-70.7172.4000113.4V79 L82 S86 S87 L88 L240 T246 L247 T250V79-L84 HydrophobicContact CG1-CB 3.73Å; V79-L84 WeakPolarHBondContact O-CB 3.3Å; V79-L84 PolarHBondContact O-N 2.76Å; V79-L84 VanDerWaalsContact O-N 3.08Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 HydrophobicContact CB-CD1 4.1Å; L82-L84 HydrophobicContact CB-CG 4.19Å; L82-L84 HydrophobicContact CD1-CD1 4.47Å; L82-L84 PolarHBondContact O-N 3.36Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.97Å; L84-S87 WeakPolarHBondContact O-CB 3.2Å; L84-S87 PolarHBondContact O-N 3.06Å; L84-L88 PolarHBondContact O-N 3.47Å; L84-L240 HydrophobicContact CB-CD2 4.24Å; L84-L240 HydrophobicContact CD1-CD1 4.07Å; L84-T246 HydrophobicContact CD2-CG2 4.04Å; L84-L247 HydrophobicContact CD1-CD1 3.88Å; L84-T250 HydrophobicContact CD1-CG2 4.14Å; L84-T250 HydrophobicContact CD2-CG2 4.29Å; L84-T250 HydrophobicContact CG-CG2 4.23Å
85E96.2Very high96.5Very high62 Ų6242.6 Ų42.629%0.2924%0.237SC..G310 helixtrans-59.5-37.4-176.3-57.698.6121.100112.8K80 H83 S87 L88 L230K80-E85 HydrophobicContact CB-CG 4.32Å; K80-E85 HydrophobicContact CG-CG 3.95Å; K80-E85 WeakPolarHBondContact CG-OE1 3.47Å; H83-E85 WeakPolarHBondContact CA-OE2 3.4Å; E85-S87 PolarHBondContact O-N 3.46Å; E85-L88 HydrophobicContact CB-CD1 4.49Å; E85-L88 WeakPolarHBondContact O-CB 3.45Å; E85-L88 PolarHBondContact O-N 2.75Å; E85-L230 HydrophobicContact CB-CD1 3.95Å; E85-L230 HydrophobicContact CG-CD1 3.85Å; E85-L230 HydrophobicContact CG-CD2 3.86Å
86S96.5Very high96.4Very high114 Ų11444.7 Ų44.780%0.79725%0.249SC*.G310 helixtrans-67-22.617854.40000113.1L84L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.97Å
87S97.6Very high96.2Very high26 Ų2644.7 Ų44.718%0.18225%0.249CC..G310 helixtrans-89.7-5.6-179.3-57.20000112.5L84 E85 V89 L240 S241L84-S87 WeakPolarHBondContact O-CB 3.2Å; L84-S87 PolarHBondContact O-N 3.06Å; E85-S87 PolarHBondContact O-N 3.46Å; S87-V89 PolarHBondContact O-N 2.85Å; S87-L240 CarbonylContact O-C 3.44Å; S87-L240 VanDerWaalsContact O-CA 3.27Å; S87-L240 WeakPolarHBondContact O-CA 3.2Å; S87-S241 PolarHBondContact O-N 2.94Å
88L98.2Very high95.9Very high14 Ų1445.9 Ų45.97%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-65.1127.4-177.9-76.7166.3000112.4M76 V79 L84 E85 W90 L230 W238 L240M76-L88 HydrophobicContact CE-CD2 4.24Å; M76-L88 HydrophobicContact SD-CD1 3.84Å; M76-L88 HydrophobicContact SD-CD2 4.26Å; V79-L88 HydrophobicContact CG1-CD1 4.32Å; V79-L88 HydrophobicContact CG1-CD2 4.08Å; V79-L88 HydrophobicContact CG1-CG 4.26Å; L84-L88 PolarHBondContact O-N 3.47Å; E85-L88 HydrophobicContact CB-CD1 4.49Å; E85-L88 WeakPolarHBondContact O-CB 3.45Å; E85-L88 PolarHBondContact O-N 2.75Å; L88-W90 HydrophobicContact CB-CZ2 4.22Å; L88-W90 HydrophobicContact CD1-CH2 4.23Å; L88-W90 HydrophobicContact CD1-CZ2 3.66Å; L88-W90 HydrophobicContact CD2-CZ2 4.46Å; L88-W90 HydrophobicContact CG-CZ2 4.34Å; L88-L230 HydrophobicContact CD1-CD1 4.06Å; L88-L230 HydrophobicContact CD1-CD2 4.32Å; L88-L230 HydrophobicContact CD1-CG 4.28Å; L88-W238 HydrophobicContact CD2-CB 4.48Å; L88-W238 HydrophobicContact CD2-CD2 3.93Å; L88-W238 HydrophobicContact CD2-CE3 3.47Å; L88-W238 VanDerWaalsContact CD2-CE3 3.47Å; L88-W238 HydrophobicContact CD2-CG 4.37Å; L88-W238 HydrophobicContact CD2-CZ3 4.06Å; L88-L240 HydrophobicContact CD2-CD2 4.12Å; L88-L240 HydrophobicContact CG-CD2 4.43Å
89V97.8Very high95.7Very high7 Ų750.8 Ų50.84%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-112.8117.8171.6-178.70000108.5S87 W238 T239 F377 K379S87-V89 PolarHBondContact O-N 2.85Å; V89-W238 CarbonylContact O-C 3.52Å; V89-W238 WeakPolarHBondContact O-CA 3.35Å; V89-W238 WeakPolarHBondContact O-CB 3.37Å; V89-T239 HydrophobicContact CB-CG2 3.94Å; V89-T239 HydrophobicContact CG1-CG2 4.35Å; V89-T239 PolarHBondContact N-O 2.88Å; V89-T239 PolarHBondContact O-N 3.05Å; V89-F377 HydrophobicContact CG1-CD1 3.78Å; V89-F377 HydrophobicContact CG1-CE1 4.49Å; V89-K379 HydrophobicContact CG1-CB 3.97Å; V89-K379 HydrophobicContact CG1-CD 4.06Å; V89-K379 HydrophobicContact CG1-CG 4.25Å; V89-K379 HydrophobicContact CG2-CB 4.24Å; V89-K379 HydrophobicContact CG2-CD 4.16Å
90W97Very high95.4Very high58 Ų5855.4 Ų55.422%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-98.1134.6-175.8-59.4101.8000112.4A67 M76 L88 R92 L230 I231 P232 A235 W238A67-W90 HydrophobicContact CB-CZ3 4.15Å; M76-W90 HydrophobicContact CE-CH2 3.52Å; M76-W90 HydrophobicContact CE-CZ3 3.96Å; M76-W90 HydrophobicContact SD-CH2 4.05Å; L88-W90 HydrophobicContact CB-CZ2 4.22Å; L88-W90 HydrophobicContact CD1-CH2 4.23Å; L88-W90 HydrophobicContact CD1-CZ2 3.66Å; L88-W90 HydrophobicContact CD2-CZ2 4.46Å; L88-W90 HydrophobicContact CG-CZ2 4.34Å; W90-R92 HydrophobicContact CB-CG 4.08Å; W90-L230 WeakPolarHBondContact CZ2-O 3.31Å; W90-I231 HydrophobicContact CH2-CB 4.3Å; W90-I231 HydrophobicContact CH2-CG1 4.11Å; W90-I231 HydrophobicContact CH2-CG2 4.24Å; W90-I231 HydrophobicContact CZ3-CG2 4.15Å; W90-P232 HydrophobicContact CD2-CG 4.05Å; W90-P232 HydrophobicContact CG-CG 4.16Å; W90-P232 HydrophobicContact CZ2-CG 4.48Å; W90-A235 HydrophobicContact CD2-CB 4.41Å; W90-A235 HydrophobicContact CE3-CB 3.65Å; W90-A235 HydrophobicContact CZ3-CB 4.07Å; W90-W238 HydrophobicContact CD2-CB 4.38Å; W90-W238 HydrophobicContact CE3-CB 3.64Å; W90-W238 HydrophobicContact CE3-CG 4.34Å; W90-W238 HydrophobicContact CZ3-CB 3.78Å; W90-W238 AromaticContact CZ3-CD1 3.91Å; W90-W238 AromaticContact CZ3-CG 3.97Å; W90-W238 HydrophobicContact CZ3-CG 3.97Å
91M96.8Very high95.3Very high8 Ų854.3 Ų54.34%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-91.4124.2159178.5-166.9-68.500109I236 A237 F355 A376 F377M91-I236 PolarHBondContact O-N 2.71Å; M91-I236 HydrophobicContact SD-CB 4.4Å; M91-I236 HydrophobicContact SD-CG2 4.4Å; M91-A237 HydrophobicContact CB-CB 4.27Å; M91-A237 HydrophobicContact CE-CB 4.45Å; M91-A237 PolarHBondContact N-O 3.13Å; M91-A237 HydrophobicContact SD-CB 4.04Å; M91-F355 HydrophobicContact CE-CD2 3.35Å; M91-F355 HydrophobicContact CE-CE2 3.58Å; M91-F355 HydrophobicContact SD-CD2 4.18Å; M91-A376 HydrophobicContact CE-CB 3.79Å; M91-F377 HydrophobicContact CB-CE1 3.88Å; M91-F377 HydrophobicContact CB-CZ 4.01Å; M91-F377 HydrophobicContact CE-CD2 4.43Å; M91-F377 HydrophobicContact CE-CE1 4.47Å; M91-F377 HydrophobicContact CE-CE2 3.72Å; M91-F377 HydrophobicContact CE-CZ 3.76Å
92R95.2Very high95.1Very high97 Ų9753.6 Ų53.637%0.36629%0.294SS..EExtended strand (participates in β ladder)trans-117.1147.7-170.5-53.117973.9111-5.6111.8W90 T95 D234W90-R92 HydrophobicContact CB-CG 4.08Å; R92-T95 HydrophobicContact CB-CG2 4.21Å; R92-T95 WeakPolarHBondContact O-CB 3.12Å; R92-T95 PolarHBondContact O-N 3.12Å; R92-T95 PolarHBondContact O-OG1 3.15Å; R92-D234 CarbonylContact C-O 3.57Å; R92-D234 WeakPolarHBondContact CA-O 3.39Å; R92-D234 IonicContact CZ-OD1 3.06Å; R92-D234 IonicContact CZ-OD2 3.18Å; R92-D234 VanDerWaalsContact NE-CG 3.33Å; R92-D234 IonicContact NE-OD1 3.22Å; R92-D234 PolarHBondContact NE-OD1 2.9Å; R92-D234 IonicContact NE-OD2 2.77Å; R92-D234 PolarHBondContact NE-OD2 3.49Å; R92-D234 IonicContact NH1-OD1 3.9Å; R92-D234 IonicContact NH2-OD1 2.75Å; R92-D234 PolarHBondContact NH2-OD1 3.03Å; R92-D234 IonicContact NH2-OD2 2.83Å; R92-D234 PolarHBondContact NH2-OD2 3.38Å
93Q93.1Very high95Very high116 Ų11653.7 Ų53.754%0.54229%0.293SS..THydrogen-bonded Turntrans-55147170.6-69.5175.4-15.300110.9T95 D234 I236Q93-T95 PolarHBondContact O-N 3.46Å; Q93-D234 HydrophobicContact CB-CB 4.22Å; Q93-D234 WeakPolarHBondContact CG-O 3.29Å; Q93-D234 PolarHBondContact N-O 3Å; Q93-I236 HydrophobicContact CB-CD1 4.4Å; Q93-I236 HydrophobicContact CG-CD1 3.7Å; Q93-I236 HydrophobicContact CG-CG1 3.64Å
94G91.2Very high94.7Very high84 Ų8446.6 Ų46.687%0.86626%0.261SS*.THydrogen-bonded Turntrans78.9-6.5-178.400000115.4
95T94.2Very high94.4Very high63 Ų6350.5 Ų50.539%0.38728%0.281SS..SBendtrans-88.6164.7172.566.70000111.5R92 Q93 G97 A98R92-T95 HydrophobicContact CB-CG2 4.21Å; R92-T95 WeakPolarHBondContact O-CB 3.12Å; R92-T95 PolarHBondContact O-N 3.12Å; R92-T95 PolarHBondContact O-OG1 3.15Å; Q93-T95 PolarHBondContact O-N 3.46Å; T95-G97 PolarHBondContact O-N 3.34Å; T95-A98 WeakPolarHBondContact O-CB 3.25Å; T95-A98 PolarHBondContact O-N 3.01Å
96D93.7Very high94.2Very high45 Ų4553 Ų5324%0.24130%0.297CS..G310 helixtrans-57-40.4173.7-75.6-30.1000111.3A98 K99 R353 G354 F355 F375D96-A98 PolarHBondContact O-N 3.34Å; D96-K99 PolarHBondContact O-N 3.29Å; D96-K99 IonicContact OD1-NZ 3.1Å; D96-K99 PolarHBondContact OD1-NZ 3.47Å; D96-R353 HydrophobicContact CB-CB 4.05Å; D96-R353 VanDerWaalsContact OD2-CD 3.24Å; D96-R353 WeakPolarHBondContact OD2-CD 3.36Å; D96-R353 IonicContact OD2-NH1 3.92Å; D96-G354 CarbonylContact O-C 3.21Å; D96-G354 WeakPolarHBondContact O-CA 3.5Å; D96-F355 PolarHBondContact O-N 3.26Å; D96-F375 HydrophobicContact CB-CB 4.42Å; D96-F375 HydrophobicContact CB-CD1 4.26Å
97G92.2Very high94Very high1 Ų153 Ų531%0.0128%0.284CS..G310 helixtrans-59.5-12.8175.800000115.3T95 F355 F375T95-G97 PolarHBondContact O-N 3.34Å; G97-F355 VanDerWaalsContact O-CB 3.3Å; G97-F355 WeakPolarHBondContact O-CB 3.44Å; G97-F375 VanDerWaalsContact CA-O 3.22Å; G97-F375 WeakPolarHBondContact CA-O 3.44Å; G97-F375 PolarHBondContact N-O 2.86Å
98A90.7Very high93.8Very high32 Ų3253.6 Ų53.626%0.26429%0.285SS..G310 helixtrans-87.5-12.8174.500000114T95 D96 Q100 I236T95-A98 WeakPolarHBondContact O-CB 3.25Å; T95-A98 PolarHBondContact O-N 3.01Å; D96-A98 PolarHBondContact O-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.19Å; A98-I236 HydrophobicContact CB-CD1 3.39Å
99K93.1Very high93.4Very high104 Ų10453.7 Ų53.745%0.45229%0.286SS..  trans-85.4115.8-175.2-57.5168.7-180165.40110.1D96 G354 F355D96-K99 PolarHBondContact O-N 3.29Å; D96-K99 IonicContact OD1-NZ 3.1Å; D96-K99 PolarHBondContact OD1-NZ 3.47Å; K99-G354 CarbonylContact O-C 3.47Å; K99-G354 WeakPolarHBondContact O-CA 3.5Å; K99-F355 WeakPolarHBondContact O-CB 3.4Å; K99-F355 PolarHBondContact O-N 3.44Å
100Q91.9Very high92.8Very high96 Ų9656.5 Ų56.545%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-104.7136176.7-60177.2-27.400110A98 M111 F355A98-Q100 PolarHBondContact O-N 3.19Å; Q100-M111 HydrophobicContact CB-CB 4.33Å; Q100-M111 HydrophobicContact CB-CE 3.53Å; Q100-M111 HydrophobicContact CG-CE 4.38Å; Q100-M111 PolarHBondContact O-N 2.8Å; Q100-F355 HydrophobicContact CG-CB 4.24Å; Q100-F355 HydrophobicContact CG-CD1 4.32Å
101L94.7Very high91.7Very high21 Ų2155.5 Ų55.511%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-122.6165-174.5-52.5173.6000111.4L108 L109 P110 V352 G356 H357 L358 Y372L101-L108 HydrophobicContact CB-CD2 4.42Å; L101-L108 HydrophobicContact CD1-CB 4.3Å; L101-L109 CarbonylContact C-O 3.5Å; L101-L109 WeakPolarHBondContact CA-O 3.42Å; L101-P110 HydrophobicContact CD2-CB 4.28Å; L101-V352 HydrophobicContact CD1-CG1 3.49Å; L101-V352 VanDerWaalsContact CD1-CG1 3.49Å; L101-G356 PolarHBondContact N-O 3.08Å; L101-H357 HydrophobicContact CB-CB 3.77Å; L101-H357 WeakPolarHBondContact O-CA 3.46Å; L101-L358 PolarHBondContact O-N 2.82Å; L101-Y372 HydrophobicContact CD1-CE2 4.18Å
102M93.5Very high90.2Very high6 Ų657.4 Ų57.43%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-124.1140.9166.6-71.8176.7-57.300109I104 L108 L109 M111 F122 F163 A166 L358M102-I104 HydrophobicContact CB-CD1 4.1Å; M102-I104 HydrophobicContact CB-CG1 4.07Å; M102-I104 HydrophobicContact CE-CD1 4.26Å; M102-L108 CarbonylContact O-C 3.6Å; M102-L108 WeakPolarHBondContact O-CA 3.28Å; M102-L109 PolarHBondContact N-O 2.85Å; M102-L109 PolarHBondContact O-N 3.06Å; M102-M111 HydrophobicContact CE-CG 3.94Å; M102-M111 HydrophobicContact CG-CG 3.46Å; M102-M111 VanDerWaalsContact CG-CG 3.46Å; M102-M111 HydrophobicContact CG-SD 3.79Å; M102-M111 HydrophobicContact SD-CG 3.83Å; M102-M111 HydrophobicContact SD-SD 4Å; M102-F122 HydrophobicContact CE-CE2 4.42Å; M102-F122 HydrophobicContact CE-CZ 4.13Å; M102-F163 HydrophobicContact SD-CB 4.38Å; M102-F163 HydrophobicContact SD-CD2 4.23Å; M102-A166 HydrophobicContact CG-CB 4.33Å; M102-A166 HydrophobicContact SD-CB 4.23Å; M102-L358 VanDerWaalsContact CA-O 3.31Å; M102-L358 WeakPolarHBondContact CA-O 3.41Å
103Y95.3Very high88.2Confident13 Ų1355.1 Ų55.15%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-92.3118.1170.2-172.1-103.3000109.2D106 Q107 L108 L358 P360 E363 H427Y103-D106 WeakPolarHBondContact OH-CA 3.3Å; Y103-D106 PolarHBondContact OH-OD1 3.42Å; Y103-Q107 CarbonylContact C-O 3.59Å; Y103-Q107 WeakPolarHBondContact CA-O 3.32Å; Y103-L108 HydrophobicContact CD2-CD2 3.9Å; Y103-L108 HydrophobicContact CD2-CG 4.12Å; Y103-L358 PolarHBondContact N-O 3.32Å; Y103-P360 WeakPolarHBondContact O-CD 3.41Å; Y103-E363 WeakPolarHBondContact O-CG 3.34Å; Y103-H427 AromaticContact CD1-CE1 3.66Å; Y103-H427 AromaticContact CD1-NE2 3.75Å; Y103-H427 HydrophobicContact CD2-CB 4.02Å; Y103-H427 AromaticContact CD2-CG 3.79Å; Y103-H427 AromaticContact CD2-ND1 3.96Å; Y103-H427 AromaticContact CE1-CD2 3.61Å; Y103-H427 AromaticContact CE1-CE1 3.82Å; Y103-H427 AromaticContact CE1-NE2 3.4Å; Y103-H427 WeakPolarHBondContact CE1-NE2 3.46Å; Y103-H427 HydrophobicContact CE2-CB 3.85Å; Y103-H427 AromaticContact CE2-CD2 3.63Å; Y103-H427 AromaticContact CE2-CG 3.63Å; Y103-H427 AromaticContact CG-CE1 3.95Å; Y103-H427 AromaticContact CG-ND1 3.83Å; Y103-H427 AromaticContact CZ-CD2 3.29Å; Y103-H427 AromaticContact CZ-CG 3.79Å; Y103-H427 AromaticContact CZ-NE2 3.63Å
104I92.5Very high86.2Confident1 Ų155.9 Ų55.91%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-146.3129.9-178.9-46.9-178.6000109M102 D106 Q107 L109 P121 F122 Y162 P360 E363M102-I104 HydrophobicContact CB-CD1 4.1Å; M102-I104 HydrophobicContact CB-CG1 4.07Å; M102-I104 HydrophobicContact CE-CD1 4.26Å; I104-D106 VanDerWaalsContact C-N 3.33Å; I104-D106 PolarHBondContact O-N 3.24Å; I104-Q107 PolarHBondContact N-O 2.88Å; I104-Q107 PolarHBondContact O-N 3.01Å; I104-L109 HydrophobicContact CB-CD1 4.27Å; I104-L109 HydrophobicContact CD1-CD1 4.3Å; I104-P121 HydrophobicContact CB-CG 4.44Å; I104-P121 HydrophobicContact CG2-CG 3.4Å; I104-F122 HydrophobicContact CD1-CE2 4.4Å; I104-F122 HydrophobicContact CD1-CZ 4.36Å; I104-Y162 HydrophobicContact CD1-CD1 3.93Å; I104-Y162 HydrophobicContact CD1-CG 3.96Å; I104-Y162 HydrophobicContact CG1-CD1 4.5Å; I104-Y162 HydrophobicContact CG2-CD1 4.01Å; I104-Y162 HydrophobicContact CG2-CE1 3.76Å; I104-P360 HydrophobicContact CD1-CG 4.28Å; I104-P360 HydrophobicContact CG1-CG 4.01Å; I104-E363 HydrophobicContact CG2-CG 4.49Å
105N91.3Very high84.5Confident92 Ų9253.6 Ų53.649%0.49229%0.288SS..THydrogen-bonded Turntrans4851.1-178-66.4-40000113.1Q107 P121 E363N105-Q107 PolarHBondContact O-N 3.32Å; N105-Q107 VanDerWaalsContact O-N 3.13Å; N105-P121 VanDerWaalsContact ND2-CB 3.26Å; N105-P121 WeakPolarHBondContact ND2-CB 3.44Å; N105-P121 WeakPolarHBondContact ND2-CG 3.27Å; N105-E363 PolarHBondContact N-OE2 3.02Å
106D91.7Very high82.3Confident114 Ų11458.9 Ų58.961%0.6131%0.306SS*.THydrogen-bonded Turntrans59.920.3-178.8-59.5-50.9000116.1Y103 I104Y103-D106 WeakPolarHBondContact OH-CA 3.3Å; Y103-D106 PolarHBondContact OH-OD1 3.42Å; I104-D106 VanDerWaalsContact C-N 3.33Å; I104-D106 PolarHBondContact O-N 3.24Å
107Q92.3Very high80.4Confident116 Ų11660.4 Ų60.454%0.54232%0.32SS..EExtended strand (participates in β ladder)trans-128.1147.7179.8-64.2-176-1.400112Y103 I104 N105Y103-Q107 CarbonylContact C-O 3.59Å; Y103-Q107 WeakPolarHBondContact CA-O 3.32Å; I104-Q107 PolarHBondContact N-O 2.88Å; I104-Q107 PolarHBondContact O-N 3.01Å; N105-Q107 PolarHBondContact O-N 3.32Å; N105-Q107 VanDerWaalsContact O-N 3.13Å
108L93.5Very high79Confident38 Ų3863.8 Ų63.820%0.19934%0.341CS..EExtended strand (participates in β ladder)trans-97.2117.4173-71.3165.8000110.1L101 M102 Y103 V352 H357 H427 L428L101-L108 HydrophobicContact CB-CD2 4.42Å; L101-L108 HydrophobicContact CD1-CB 4.3Å; M102-L108 CarbonylContact O-C 3.6Å; M102-L108 WeakPolarHBondContact O-CA 3.28Å; Y103-L108 HydrophobicContact CD2-CD2 3.9Å; Y103-L108 HydrophobicContact CD2-CG 4.12Å; L108-V352 HydrophobicContact CD1-CB 4.33Å; L108-V352 HydrophobicContact CD1-CG1 4.04Å; L108-V352 HydrophobicContact CD1-CG2 3.96Å; L108-H357 HydrophobicContact CD2-CB 3.57Å; L108-H427 VanDerWaalsContact CD1-O 3.3Å; L108-H427 WeakPolarHBondContact CD1-O 3.05Å; L108-L428 HydrophobicContact CD1-CD2 3.82Å
109L90Very high77.6Confident16 Ų1664.6 Ų64.68%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-114.8138.7-176.5-58.6174.2000110.2L101 M102 I104 M111 K120L101-L109 CarbonylContact C-O 3.5Å; L101-L109 WeakPolarHBondContact CA-O 3.42Å; M102-L109 PolarHBondContact N-O 2.85Å; M102-L109 PolarHBondContact O-N 3.06Å; I104-L109 HydrophobicContact CB-CD1 4.27Å; I104-L109 HydrophobicContact CD1-CD1 4.3Å; L109-M111 PolarHBondContact O-N 2.72Å; L109-K120 WeakPolarHBondContact CD1-O 2.88Å
110P85.2Confident76.3Confident66 Ų6667.9 Ų67.943%0.42935%0.354SS..EExtended strand (participates in β ladder)trans-65136.117627-33.5000111.6L101 S112 L119L101-P110 HydrophobicContact CD2-CB 4.28Å; P110-S112 PolarHBondContact O-N 3.3Å; P110-L119 HydrophobicContact CG-CD1 4.33Å
111M73.3Confident75Confident37 Ų3764.6 Ų64.618%0.18234%0.341CS..  trans-73.675165-73.9-154-69.200109.6Q100 M102 L109 F163 L358Q100-M111 HydrophobicContact CB-CB 4.33Å; Q100-M111 HydrophobicContact CB-CE 3.53Å; Q100-M111 HydrophobicContact CG-CE 4.38Å; Q100-M111 PolarHBondContact O-N 2.8Å; M102-M111 HydrophobicContact CE-CG 3.94Å; M102-M111 HydrophobicContact CG-CG 3.46Å; M102-M111 VanDerWaalsContact CG-CG 3.46Å; M102-M111 HydrophobicContact CG-SD 3.79Å; M102-M111 HydrophobicContact SD-CG 3.83Å; M102-M111 HydrophobicContact SD-SD 4Å; L109-M111 PolarHBondContact O-N 2.72Å; M111-F163 HydrophobicContact CG-CE2 4.46Å; M111-F163 HydrophobicContact SD-CD2 4.01Å; M111-F163 HydrophobicContact SD-CE2 3.79Å; M111-L358 HydrophobicContact CE-CD1 3.88Å; M111-L358 HydrophobicContact SD-CD1 4.34Å
112S64.9Low73.8Confident48 Ų4865.2 Ų65.234%0.33634%0.343SS..  trans-105.5122.5169.1174.10000109.3P110 F114 N115P110-S112 PolarHBondContact O-N 3.3Å; S112-F114 PolarHBondContact O-N 3.45Å; S112-F114 PolarHBondContact OG-N 3Å; S112-N115 WeakPolarHBondContact CB-OD1 3.43Å; S112-N115 PolarHBondContact OG-OD1 3.06Å
113A54Low72.9Confident49 Ų4969.6 Ų69.641%0.40537%0.37SS..SBendtrans-74.50.3173.400000113.2T126A113-T126 WeakPolarHBondContact O-CB 3.25Å; A113-T126 WeakPolarHBondContact O-CG2 3.04Å
114F51.5Low71.6Confident132 Ų13273.6 Ų73.658%0.57939%0.385SS*.  trans-139.653.6-170.9-60.9-75000112.5S112 I130S112-F114 PolarHBondContact O-N 3.45Å; S112-F114 PolarHBondContact OG-N 3Å; F114-I130 HydrophobicContact CD1-CD1 3.77Å; F114-I130 HydrophobicContact CE1-CD1 3.66Å
115N55.1Low70.6Confident35 Ų3574.4 Ų74.419%0.18739%0.391CS..  trans-90.2128.1170.5-68-13.5000110.6S112 L119 T126S112-N115 WeakPolarHBondContact CB-OD1 3.43Å; S112-N115 PolarHBondContact OG-OD1 3.06Å; N115-L119 WeakPolarHBondContact ND2-CD1 3.47Å; N115-T126 PolarHBondContact O-N 3.24Å
116F47.6Very low69.6Low175 Ų17571.3 Ų71.377%0.76838%0.376SS*.SBendtrans-73.9-32.8172.9-73.5-82.6000111.9S125 C127F116-S125 WeakPolarHBondContact O-CB 3.32Å; F116-S125 PolarHBondContact O-OG 2.74Å; F116-C127 HydrophobicContact CD1-CB 4.27Å; F116-C127 VanDerWaalsContact CD1-SG 3.52Å
117S54.3Low68.5Low76 Ų7666.9 Ų66.953%0.53135%0.354SS..SBendtrans-85144.9174.451.20000111.3L119S117-L119 PolarHBondContact O-N 2.65Å
118T62.1Low67.6Low73 Ų7364.2 Ų64.245%0.44835%0.347SS..  trans-70111.8167.7-55.40000108.3F122 S125T118-F122 WeakPolarHBondContact CG2-O 3.25Å; T118-S125 PolarHBondContact OG1-N 3.28Å
119L61.9Low66.8Low48 Ų4862.7 Ų62.725%0.25134%0.34SS..  trans-82.1123.7167.5-67.5-177.6000107.8P110 N115 S117 F122P110-L119 HydrophobicContact CG-CD1 4.33Å; N115-L119 WeakPolarHBondContact ND2-CD1 3.47Å; S117-L119 PolarHBondContact O-N 2.65Å; L119-F122 HydrophobicContact CB-CD2 4.41Å; L119-F122 WeakPolarHBondContact O-CA 3.49Å; L119-F122 VanDerWaalsContact O-CB 3.27Å; L119-F122 WeakPolarHBondContact O-CB 3.4Å; L119-F122 WeakPolarHBondContact O-CD2 3.37Å; L119-F122 PolarHBondContact O-N 2.98Å
120K65.1Low66.1Low174 Ų17463.8 Ų63.876%0.75735%0.345SS*.THydrogen-bonded Turntrans-57.7142166.9-75.4-173.4178.3-177.90109L109L109-K120 WeakPolarHBondContact CD1-O 2.88Å
121P64.8Low65.8Low27 Ų2765.6 Ų65.618%0.17535%0.35CS..THydrogen-bonded Turncis-90.74.64.535.3-35.5000116.2I104 N105 T123 Y162I104-P121 HydrophobicContact CB-CG 4.44Å; I104-P121 HydrophobicContact CG2-CG 3.4Å; N105-P121 VanDerWaalsContact ND2-CB 3.26Å; N105-P121 WeakPolarHBondContact ND2-CB 3.44Å; N105-P121 WeakPolarHBondContact ND2-CG 3.27Å; P121-T123 PolarHBondContact O-N 2.63Å; P121-Y162 HydrophobicContact CG-CE1 4.37Å; P121-Y162 HydrophobicContact CG-CE2 3.98Å
122F70.3Confident66Low33 Ų3370.4 Ų70.415%0.14537%0.366CS..  trans-55.5133.3174.6-59-82.2000109.1M102 I104 T118 L119 R124 E158 Y162M102-F122 HydrophobicContact CE-CE2 4.42Å; M102-F122 HydrophobicContact CE-CZ 4.13Å; I104-F122 HydrophobicContact CD1-CE2 4.4Å; I104-F122 HydrophobicContact CD1-CZ 4.36Å; T118-F122 WeakPolarHBondContact CG2-O 3.25Å; L119-F122 HydrophobicContact CB-CD2 4.41Å; L119-F122 WeakPolarHBondContact O-CA 3.49Å; L119-F122 VanDerWaalsContact O-CB 3.27Å; L119-F122 WeakPolarHBondContact O-CB 3.4Å; L119-F122 WeakPolarHBondContact O-CD2 3.37Å; L119-F122 PolarHBondContact O-N 2.98Å; F122-R124 VanDerWaalsContact C-N 3.28Å; F122-E158 WeakPolarHBondContact CA-OE2 3.4Å; F122-E158 HydrophobicContact CD1-CB 4.1Å; F122-Y162 HydrophobicContact CD1-CD2 4.1Å; F122-Y162 AromaticContact CE1-CD2 3.66Å; F122-Y162 HydrophobicContact CE1-CD2 3.66Å; F122-Y162 HydrophobicContact CE1-CG 4.26Å; F122-Y162 HydrophobicContact CZ-CD2 4.11Å; F122-Y162 HydrophobicContact CZ-CG 4.36Å
123T73.8Confident66.8Low98 Ų9870.5 Ų70.560%0.60136%0.359SS*.SBendtrans-83.2-12.2175.856.40000111.7P121 E158P121-T123 PolarHBondContact O-N 2.63Å; T123-E158 VanDerWaalsContact CB-OE1 3.27Å; T123-E158 WeakPolarHBondContact CB-OE1 3.32Å; T123-E158 WeakPolarHBondContact CG2-OE1 3.07Å; T123-E158 PolarHBondContact N-OE1 3Å; T123-E158 PolarHBondContact N-OE2 2.93Å; T123-E158 PolarHBondContact OG1-OE1 2.92Å; T123-E158 PolarHBondContact OG1-OE2 2.71Å
124R69.1Low68Low97 Ų9770.7 Ų70.737%0.36635%0.353SS..SBendtrans-130.8145.6-178.4-61.8175.6-177.2140.56.1111.2F122 L129 D156F122-R124 VanDerWaalsContact C-N 3.28Å; R124-L129 HydrophobicContact CB-CD2 4.03Å; R124-L129 HydrophobicContact CB-CG 4.23Å; R124-L129 HydrophobicContact CG-CD2 4.48Å; R124-D156 IonicContact CZ-OD2 2.8Å; R124-D156 IonicContact NH1-OD2 3.14Å; R124-D156 PolarHBondContact NH1-OD2 3.16Å
125S71.2Confident69.2Low18 Ų1872.2 Ų72.213%0.12636%0.36CS..  trans-72.5151.3168.969.20000110.9F116 T118 C127 S128 L129F116-S125 WeakPolarHBondContact O-CB 3.32Å; F116-S125 PolarHBondContact O-OG 2.74Å; T118-S125 PolarHBondContact OG1-N 3.28Å; S125-C127 PolarHBondContact O-N 3.32Å; S125-S128 WeakPolarHBondContact O-CB 3.43Å; S125-S128 PolarHBondContact O-N 3.5Å; S125-S128 VanDerWaalsContact O-N 3.1Å; S125-S128 PolarHBondContact OG-N 2.81Å; S125-L129 PolarHBondContact O-N 2.9Å
126T69.1Low70.3Confident27 Ų2772.1 Ų72.117%0.16636%0.362CS..Hα-helixtrans-63.4-33.6-178.3-29.60000111.6A113 N115 L129 I130A113-T126 WeakPolarHBondContact O-CB 3.25Å; A113-T126 WeakPolarHBondContact O-CG2 3.04Å; N115-T126 PolarHBondContact O-N 3.24Å; T126-L129 WeakPolarHBondContact O-CB 3.46Å; T126-L129 PolarHBondContact O-N 3.12Å; T126-I130 HydrophobicContact CG2-CD1 4.43Å; T126-I130 WeakPolarHBondContact O-CD1 3.18Å; T126-I130 VanDerWaalsContact O-CG1 3.27Å; T126-I130 WeakPolarHBondContact O-CG1 3.46Å; T126-I130 PolarHBondContact O-N 2.96Å
127C69.4Low71.7Confident22 Ų2275.1 Ų75.115%0.14937%0.368CS..Hα-helixtrans-61.6-42.8173.5-67.80000112.9F116 S125 L129 I130 I131F116-C127 HydrophobicContact CD1-CB 4.27Å; F116-C127 VanDerWaalsContact CD1-SG 3.52Å; S125-C127 PolarHBondContact O-N 3.32Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 3.01Å; C127-I130 PolarHBondContact O-N 3.28Å; C127-I131 VanDerWaalsContact O-CG1 3.3Å; C127-I131 WeakPolarHBondContact O-CG1 3.45Å; C127-I131 PolarHBondContact O-N 3.28Å
128S74.3Confident72.8Confident59 Ų5977 Ų7741%0.41336%0.363SS..Hα-helixtrans-61.4-41.4177.2179.20000111.5S125 I131 R132S125-S128 WeakPolarHBondContact O-CB 3.43Å; S125-S128 PolarHBondContact O-N 3.5Å; S125-S128 VanDerWaalsContact O-N 3.1Å; S125-S128 PolarHBondContact OG-N 2.81Å; S128-I131 PolarHBondContact O-N 3.05Å; S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 PolarHBondContact O-N 3.38Å
129L75.6Confident73.6Confident7 Ų774.7 Ų74.74%0.03735%0.35CS..Hα-helixtrans-59.8-48.7174.1-63.2178.2000111.7R124 S125 T126 C127 R132 R133 D156R124-L129 HydrophobicContact CB-CD2 4.03Å; R124-L129 HydrophobicContact CB-CG 4.23Å; R124-L129 HydrophobicContact CG-CD2 4.48Å; S125-L129 PolarHBondContact O-N 2.9Å; T126-L129 WeakPolarHBondContact O-CB 3.46Å; T126-L129 PolarHBondContact O-N 3.12Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-L129 PolarHBondContact O-N 3.01Å; L129-R132 PolarHBondContact O-N 3.3Å; L129-R133 WeakPolarHBondContact O-CB 3.38Å; L129-R133 WeakPolarHBondContact O-CG 3.41Å; L129-R133 PolarHBondContact O-N 3.49Å; L129-D156 HydrophobicContact CD2-CB 4.39Å; L129-D156 WeakPolarHBondContact CD2-OD2 3.38Å
130I76.6Confident74.5Confident38 Ų3877.5 Ų77.520%0.19537%0.371CS..Hα-helixtrans-61.2-47.6-179.8-67.7164.1000110.9F114 T126 C127 R132 R133 L134 I199F114-I130 HydrophobicContact CD1-CD1 3.77Å; F114-I130 HydrophobicContact CE1-CD1 3.66Å; T126-I130 HydrophobicContact CG2-CD1 4.43Å; T126-I130 WeakPolarHBondContact O-CD1 3.18Å; T126-I130 VanDerWaalsContact O-CG1 3.27Å; T126-I130 WeakPolarHBondContact O-CG1 3.46Å; T126-I130 PolarHBondContact O-N 2.96Å; C127-I130 PolarHBondContact O-N 3.28Å; I130-R132 PolarHBondContact O-N 2.73Å; I130-R133 PolarHBondContact O-N 3.12Å; I130-L134 PolarHBondContact O-N 3.22Å; I130-I199 HydrophobicContact CG1-CD1 4.27Å; I130-I199 HydrophobicContact CG2-CD1 4.29Å; I130-I199 HydrophobicContact CG2-CG1 4.49Å; I130-I199 HydrophobicContact CG2-CG2 3.82Å
131I77.4Confident75.2Confident105 Ų10575.3 Ų75.354%0.53838%0.378SS..Hα-helixtrans-61.2-48-179-68.8166000110.8C127 S128 R133 L134 F135C127-I131 VanDerWaalsContact O-CG1 3.3Å; C127-I131 WeakPolarHBondContact O-CG1 3.45Å; C127-I131 PolarHBondContact O-N 3.28Å; S128-I131 PolarHBondContact O-N 3.05Å; I131-R133 PolarHBondContact O-N 3.24Å; I131-L134 VanDerWaalsContact O-CB 3.28Å; I131-L134 WeakPolarHBondContact O-CB 3.18Å; I131-L134 PolarHBondContact O-N 2.8Å; I131-F135 HydrophobicContact CG2-CE2 4.39Å; I131-F135 VanDerWaalsContact O-CD2 3.28Å; I131-F135 WeakPolarHBondContact O-CD2 3.4Å
132R77.9Confident76.2Confident137 Ų13777.9 Ų77.952%0.51739%0.388SS..Hα-helixtrans-59.3-39.5178.2-179.3-178.9176-1741111.7S128 L129 I130 S136S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 PolarHBondContact O-N 3.38Å; L129-R132 PolarHBondContact O-N 3.3Å; I130-R132 PolarHBondContact O-N 2.73Å; R132-S136 PolarHBondContact O-OG 3.06Å
133R81.6Confident77Confident50 Ų5081.3 Ų81.319%0.18942%0.415CS..Hα-helixtrans-79.5-23.1-176.2-65.6-66.5-172.2174.910.4113.1L129 I130 I131 F135 S136 S153 R154 F155 N197 I199L129-R133 WeakPolarHBondContact O-CB 3.38Å; L129-R133 WeakPolarHBondContact O-CG 3.41Å; L129-R133 PolarHBondContact O-N 3.49Å; I130-R133 PolarHBondContact O-N 3.12Å; I131-R133 PolarHBondContact O-N 3.24Å; R133-F135 PolarHBondContact O-N 3.4Å; R133-S136 PolarHBondContact O-N 2.71Å; R133-S136 VanDerWaalsContact O-N 3.12Å; R133-S153 VanDerWaalsContact CZ-O 3.28Å; R133-S153 PolarHBondContact NH1-O 2.78Å; R133-S153 PolarHBondContact NH2-O 2.83Å; R133-R154 WeakPolarHBondContact CD-O 3.38Å; R133-R154 WeakPolarHBondContact CG-O 3.31Å; R133-R154 PolarHBondContact NE-O 3.48Å; R133-F155 PolarHBondContact NE-O 3.28Å; R133-F155 PolarHBondContact NH2-O 3.15Å; R133-N197 PolarHBondContact O-ND2 3.02Å; R133-I199 HydrophobicContact CB-CG1 4.04Å
134L78.6Confident78Confident53 Ų5377.1 Ų77.128%0.27739%0.389SS..Hα-helixtrans-54.4-37170.3-164.773.3000112.2I130 I131 N197 I199 L200 L203I130-L134 PolarHBondContact O-N 3.22Å; I131-L134 VanDerWaalsContact O-CB 3.28Å; I131-L134 WeakPolarHBondContact O-CB 3.18Å; I131-L134 PolarHBondContact O-N 2.8Å; L134-N197 PolarHBondContact O-ND2 3.19Å; L134-I199 HydrophobicContact CD1-CB 4.4Å; L134-I199 HydrophobicContact CD1-CG2 3.65Å; L134-L200 HydrophobicContact CD1-CD2 3.54Å; L134-L200 HydrophobicContact CD1-CG 3.79Å; L134-L200 HydrophobicContact CG-CD2 4.39Å; L134-L203 HydrophobicContact CD1-CD1 4.37Å
135F76.7Confident79.3Confident165 Ų16574.4 Ų74.472%0.72438%0.379SS*.THydrogen-bonded Turntrans-99.52.6-179.7-57.2-74.6000114.2I131 R133I131-F135 HydrophobicContact CG2-CE2 4.39Å; I131-F135 VanDerWaalsContact O-CD2 3.28Å; I131-F135 WeakPolarHBondContact O-CD2 3.4Å; R133-F135 PolarHBondContact O-N 3.4Å
136S78.7Confident80.6Confident33 Ų3374.3 Ų74.323%0.23138%0.378CS..PPolyproline II helixtrans-81.3147179.9-65.40000111.4R132 R133 N197R132-S136 PolarHBondContact O-OG 3.06Å; R133-S136 PolarHBondContact O-N 2.71Å; R133-S136 VanDerWaalsContact O-N 3.12Å; S136-N197 PolarHBondContact O-ND2 3.42Å
137R76.2Confident81.9Confident237 Ų23773 Ų7389%0.89437%0.37SS*.PPolyproline II helixtrans-73.6153.4169.7-68.8-174.2176.5-178-1110.7
138R78.3Confident83.3Confident115 Ų11572.5 Ų72.543%0.43437%0.365SS..PPolyproline II helixtrans-59.6140.1172.4-159.6174.3-170.2169.72.9110.4E192R138-E192 IonicContact CZ-OE2 2.61Å; R138-E192 IonicContact NE-OE2 2.85Å; R138-E192 PolarHBondContact NE-OE2 3.08Å; R138-E192 IonicContact NH2-OE2 2.67Å; R138-E192 PolarHBondContact NH2-OE2 3.48Å
139P79.7Confident84.3Confident26 Ų2673.4 Ų73.417%0.16936%0.363CS..PPolyproline II helixtrans-57.5162.2166.6-2536.8000111.9W145P139-W145 HydrophobicContact CB-CH2 4.14Å; P139-W145 HydrophobicContact CB-CZ2 3.96Å
140P81Confident85.2Confident106 Ų10673.2 Ų73.269%0.68836%0.362SS*.PPolyproline II helixtrans-51.7151176.3-26.835.3000113Q142 W145P140-Q142 PolarHBondContact O-N 2.72Å; P140-W145 WeakPolarHBondContact O-CZ2 3.45Å
141S79.8Confident86Confident129 Ų12971.5 Ų71.590%0.90235%0.353SS*.PPolyproline II helixtrans-66.8125.8174.257.70000110
142Q84.9Confident86.6Confident81 Ų8169.7 Ų69.738%0.37934%0.34SS..  trans-130.4142.8171.8178.7172.2-28.900107.7P140 D144 W145P140-Q142 PolarHBondContact O-N 2.72Å; Q142-D144 VanDerWaalsContact C-N 3.32Å; Q142-D144 WeakPolarHBondContact CG-O 3.32Å; Q142-D144 PolarHBondContact NE2-O 2.85Å; Q142-D144 PolarHBondContact O-N 3.48Å; Q142-W145 HydrophobicContact CB-CD2 4.22Å; Q142-W145 HydrophobicContact CB-CG 4.48Å; Q142-W145 HydrophobicContact CB-CZ2 3.98Å; Q142-W145 HydrophobicContact CG-CD2 4.5Å
143S87.4Confident87.2Confident104 Ų10464.6 Ų64.673%0.72733%0.325SS*.SBendtrans-59.5-45.6-178.4580000110.2R182S143-R182 PolarHBondContact O-NH1 3.23Å; S143-R182 PolarHBondContact O-NH2 3.48Å
144D95.2Very high87.5Confident10 Ų1062.9 Ų62.95%0.05332%0.319CS..  trans-152136.7173.4-16210.4000110.4Q142 S180 R182 P452 G453Q142-D144 VanDerWaalsContact C-N 3.32Å; Q142-D144 WeakPolarHBondContact CG-O 3.32Å; Q142-D144 PolarHBondContact NE2-O 2.85Å; Q142-D144 PolarHBondContact O-N 3.48Å; D144-S180 PolarHBondContact OD1-OG 2.98Å; D144-S180 VanDerWaalsContact OD1-OG 3.08Å; D144-S180 VanDerWaalsContact OD2-CB 3.29Å; D144-S180 WeakPolarHBondContact OD2-CB 3.36Å; D144-S180 PolarHBondContact OD2-OG 2.8Å; D144-R182 WeakPolarHBondContact OD1-CB 3.1Å; D144-R182 PolarHBondContact OD1-N 3.02Å; D144-R182 IonicContact OD1-NH1 3.29Å; D144-P452 HydrophobicContact CB-CB 4.44Å; D144-P452 WeakPolarHBondContact OD2-CA 3.24Å; D144-G453 PolarHBondContact OD2-N 2.93Å
145W96.1Very high87.9Confident41 Ų4161.3 Ų61.316%0.15531%0.309CS..  trans-101.4154.6-179.7-67.784.1000109.8P139 P140 Q142 E149 F150 A181P139-W145 HydrophobicContact CB-CH2 4.14Å; P139-W145 HydrophobicContact CB-CZ2 3.96Å; P140-W145 WeakPolarHBondContact O-CZ2 3.45Å; Q142-W145 HydrophobicContact CB-CD2 4.22Å; Q142-W145 HydrophobicContact CB-CG 4.48Å; Q142-W145 HydrophobicContact CB-CZ2 3.98Å; Q142-W145 HydrophobicContact CG-CD2 4.5Å; W145-E149 HydrophobicContact CE3-CB 3.53Å; W145-E149 HydrophobicContact CE3-CG 4.47Å; W145-E149 HydrophobicContact CZ3-CB 4.05Å; W145-F150 HydrophobicContact CB-CB 4.05Å; W145-A181 HydrophobicContact CB-CB 4.21Å; W145-A181 WeakPolarHBondContact O-CB 3.41Å; W145-A181 PolarHBondContact O-N 2.75Å
146T97.8Very high88.4Confident15 Ų1554 Ų549%0.09228%0.278CS..BIsolated β-bridgetrans-68.8156.816065.80000110.1D148 E149 F150 R177 L179 P452T146-D148 PolarHBondContact O-N 2.98Å; T146-E149 WeakPolarHBondContact CB-OE2 3.41Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.31Å; T146-E149 PolarHBondContact N-OE2 2.82Å; T146-E149 PolarHBondContact O-N 3.18Å; T146-E149 WeakPolarHBondContact OG1-CB 3.26Å; T146-E149 WeakPolarHBondContact OG1-CG 3.34Å; T146-E149 PolarHBondContact OG1-N 3.48Å; T146-E149 VanDerWaalsContact OG1-N 3.14Å; T146-E149 PolarHBondContact OG1-OE2 3.41Å; T146-F150 VanDerWaalsContact O-CB 3.25Å; T146-F150 WeakPolarHBondContact O-CB 3.17Å; T146-F150 PolarHBondContact O-N 2.94Å; T146-R177 WeakPolarHBondContact CG2-O 3.4Å; T146-L179 CarbonylContact C-O 3.44Å; T146-L179 WeakPolarHBondContact CA-O 3.33Å; T146-P452 HydrophobicContact CG2-CG 3.72Å
147V97.5Very high88.9Confident0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-59.6-40.4175.1172.90000110.3F150 L151 M168 S176 L179 A181 C184 L185V147-F150 PolarHBondContact O-N 3.38Å; V147-L151 HydrophobicContact CG1-CD1 3.83Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.35Å; V147-L151 VanDerWaalsContact O-CG 3.31Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 2.96Å; V147-M168 HydrophobicContact CB-CG 4.08Å; V147-M168 HydrophobicContact CB-SD 4.24Å; V147-M168 HydrophobicContact CG1-CE 4.4Å; V147-M168 HydrophobicContact CG1-CG 3.61Å; V147-M168 HydrophobicContact CG1-SD 3.94Å; V147-M168 HydrophobicContact CG2-CG 4.28Å; V147-M168 HydrophobicContact CG2-SD 3.78Å; V147-S176 WeakPolarHBondContact CB-O 3.37Å; V147-S176 PolarHBondContact N-O 3.08Å; V147-L179 HydrophobicContact CG2-CB 3.94Å; V147-L179 PolarHBondContact N-O 3.33Å; V147-A181 HydrophobicContact CG2-CB 4.46Å; V147-C184 HydrophobicContact CG2-CB 4.02Å; V147-L185 HydrophobicContact CG1-CD1 3.78Å; V147-L185 HydrophobicContact CG2-CD1 4.3Å; V147-L185 HydrophobicContact CG2-CG 4.49Å
148D97.2Very high89.6Confident11 Ų1145.7 Ų45.76%0.05925%0.252CS..Hα-helixtrans-59.4-55.2176.6-169.795.9000111.9T146 F150 L151 R152 S176 R177T146-D148 PolarHBondContact O-N 2.98Å; D148-F150 VanDerWaalsContact C-N 3.29Å; D148-F150 PolarHBondContact O-N 3.48Å; D148-L151 PolarHBondContact O-N 3.44Å; D148-R152 WeakPolarHBondContact O-CB 3.44Å; D148-R152 PolarHBondContact O-N 3.46Å; D148-R152 IonicContact OD1-NH2 2.88Å; D148-R152 PolarHBondContact OD1-NH2 2.87Å; D148-R152 VanDerWaalsContact OD1-NH2 3.08Å; D148-R152 IonicContact OD2-CZ 2.77Å; D148-R152 IonicContact OD2-NE 3.68Å; D148-R152 PolarHBondContact OD2-NE 2.89Å; D148-R152 IonicContact OD2-NH2 3.39Å; D148-R152 PolarHBondContact OD2-NH2 2.87Å; D148-S176 PolarHBondContact N-O 3.38Å; D148-R177 HydrophobicContact CB-CB 4.38Å; D148-R177 HydrophobicContact CB-CG 3.68Å
149E96Very high90Very high79 Ų7941.2 Ų41.237%0.36924%0.236SC..Hα-helixtrans-62.7-39.1-178.8-65.6161.4144.800111.6W145 T146 S153W145-E149 HydrophobicContact CE3-CB 3.53Å; W145-E149 HydrophobicContact CE3-CG 4.47Å; W145-E149 HydrophobicContact CZ3-CB 4.05Å; T146-E149 WeakPolarHBondContact CB-OE2 3.41Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.31Å; T146-E149 PolarHBondContact N-OE2 2.82Å; T146-E149 PolarHBondContact O-N 3.18Å; T146-E149 WeakPolarHBondContact OG1-CB 3.26Å; T146-E149 WeakPolarHBondContact OG1-CG 3.34Å; T146-E149 PolarHBondContact OG1-N 3.48Å; T146-E149 VanDerWaalsContact OG1-N 3.14Å; T146-E149 PolarHBondContact OG1-OE2 3.41Å; E149-S153 VanDerWaalsContact O-CB 3.25Å; E149-S153 WeakPolarHBondContact O-CB 3.26Å; E149-S153 PolarHBondContact O-N 3.37Å; E149-S153 PolarHBondContact O-OG 2.91Å
150F94.7Very high90.6Very high2 Ų240 Ų401%0.00923%0.228CC..Hα-helixtrans-58.8-52.8175.7-179.7-98.1000110.5W145 T146 V147 D148 S153 R154 A181 M188 V189 L198W145-F150 HydrophobicContact CB-CB 4.05Å; T146-F150 VanDerWaalsContact O-CB 3.25Å; T146-F150 WeakPolarHBondContact O-CB 3.17Å; T146-F150 PolarHBondContact O-N 2.94Å; V147-F150 PolarHBondContact O-N 3.38Å; D148-F150 VanDerWaalsContact C-N 3.29Å; D148-F150 PolarHBondContact O-N 3.48Å; F150-S153 PolarHBondContact O-OG 3.07Å; F150-R154 WeakPolarHBondContact O-CD 3.33Å; F150-R154 PolarHBondContact O-N 2.95Å; F150-A181 HydrophobicContact CB-CB 3.61Å; F150-A181 HydrophobicContact CD1-CB 4.33Å; F150-A181 HydrophobicContact CD2-CB 4.16Å; F150-A181 HydrophobicContact CG-CB 3.79Å; F150-M188 HydrophobicContact CE1-CB 4.29Å; F150-M188 HydrophobicContact CE1-CE 4.32Å; F150-V189 HydrophobicContact CD2-CG2 4.43Å; F150-V189 HydrophobicContact CE2-CG2 3.97Å; F150-V189 HydrophobicContact CZ-CG2 4.06Å; F150-L198 HydrophobicContact CE1-CD2 4.25Å; F150-L198 HydrophobicContact CZ-CD2 4.25Å
151L92.3Very high91.1Very high2 Ų236.8 Ų36.81%0.0121%0.205CC..Hα-helixtrans-69-40.4-178.4-66.3-179.6000112.3V147 D148 S153 R154 F155 F159 A160 L185 M188V147-L151 HydrophobicContact CG1-CD1 3.83Å; V147-L151 HydrophobicContact CG1-CG 4.25Å; V147-L151 WeakPolarHBondContact O-CB 3.35Å; V147-L151 VanDerWaalsContact O-CG 3.31Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 2.96Å; D148-L151 PolarHBondContact O-N 3.44Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.88Å; L151-R154 PolarHBondContact O-N 2.85Å; L151-F155 HydrophobicContact CD2-CD2 4.01Å; L151-F155 HydrophobicContact CD2-CE2 3.92Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 PolarHBondContact O-N 3.39Å; L151-F159 HydrophobicContact CB-CD1 4.23Å; L151-F159 HydrophobicContact CD1-CE1 4.25Å; L151-F159 HydrophobicContact CD2-CE1 4Å; L151-F159 HydrophobicContact CG-CE1 4.48Å; L151-A160 HydrophobicContact CB-CB 4.17Å; L151-L185 HydrophobicContact CD2-CD1 4.39Å; L151-M188 HydrophobicContact CD2-CE 3.96Å
152R91.6Very high91.7Very high68 Ų6832.6 Ų32.626%0.25717%0.17SC..Hα-helixtrans-63-41-179.5-170.1173.3-54.5-91.6-3.2112.3D148 D156 S157 A160 D161D148-R152 WeakPolarHBondContact O-CB 3.44Å; D148-R152 PolarHBondContact O-N 3.46Å; D148-R152 IonicContact OD1-NH2 2.88Å; D148-R152 PolarHBondContact OD1-NH2 2.87Å; D148-R152 VanDerWaalsContact OD1-NH2 3.08Å; D148-R152 IonicContact OD2-CZ 2.77Å; D148-R152 IonicContact OD2-NE 3.68Å; D148-R152 PolarHBondContact OD2-NE 2.89Å; D148-R152 IonicContact OD2-NH2 3.39Å; D148-R152 PolarHBondContact OD2-NH2 2.87Å; R152-D156 WeakPolarHBondContact O-CA 3.2Å; R152-S157 PolarHBondContact NH1-OG 3.39Å; R152-A160 HydrophobicContact CB-CB 3.85Å; R152-D161 IonicContact CZ-OD1 3.33Å; R152-D161 IonicContact CZ-OD2 3.78Å; R152-D161 IonicContact NH1-OD1 2.71Å; R152-D161 IonicContact NH1-OD2 2.95Å; R152-D161 PolarHBondContact NH1-OD2 2.97Å; R152-D161 VanDerWaalsContact NH2-CG 3.32Å; R152-D161 IonicContact NH2-OD1 2.57Å; R152-D161 PolarHBondContact NH2-OD1 2.8Å; R152-D161 IonicContact NH2-OD2 3.06Å; R152-D161 PolarHBondContact NH2-OD2 2.81Å
153S90.3Very high91.9Very high30 Ų3031 Ų3121%0.2116%0.162CC..Hα-helixtrans-73-31.3179.657.10000113.2R133 E149 F150 L151R133-S153 VanDerWaalsContact CZ-O 3.28Å; R133-S153 PolarHBondContact NH1-O 2.78Å; R133-S153 PolarHBondContact NH2-O 2.83Å; E149-S153 VanDerWaalsContact O-CB 3.25Å; E149-S153 WeakPolarHBondContact O-CB 3.26Å; E149-S153 PolarHBondContact O-N 3.37Å; E149-S153 PolarHBondContact O-OG 2.91Å; F150-S153 PolarHBondContact O-OG 3.07Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.88Å
154R88.2Confident92.2Very high14 Ų1426.1 Ų26.15%0.05313%0.127CC..Hα-helixtrans-93.8-25.3179.8-74.589.2179.8152.4-7.1114.9R133 F150 L151 E192 L198R133-R154 WeakPolarHBondContact CD-O 3.38Å; R133-R154 WeakPolarHBondContact CG-O 3.31Å; R133-R154 PolarHBondContact NE-O 3.48Å; F150-R154 WeakPolarHBondContact O-CD 3.33Å; F150-R154 PolarHBondContact O-N 2.95Å; L151-R154 PolarHBondContact O-N 2.85Å; R154-E192 IonicContact CZ-OE1 3.12Å; R154-E192 IonicContact CZ-OE2 3.89Å; R154-E192 IonicContact NE-OE1 3.75Å; R154-E192 PolarHBondContact NE-OE1 3.28Å; R154-E192 IonicContact NE-OE2 3.65Å; R154-E192 IonicContact NH2-OE1 3.73Å; R154-E192 PolarHBondContact NH2-OE1 2.76Å; R154-E192 IonicContact NH2-OE2 3.11Å; R154-E192 PolarHBondContact NH2-OE2 2.89Å; R154-L198 HydrophobicContact CB-CB 4.42Å; R154-L198 HydrophobicContact CB-CD2 4.01Å; R154-L198 HydrophobicContact CG-CB 4.03Å; R154-L198 HydrophobicContact CG-CD2 4.16Å
155F86.5Confident92.1Very high19 Ų1925.6 Ų25.68%0.08313%0.125CC..SBendtrans-115.8-91.3178.6-62.3-79.1000109.5R133 L151 F159 M188 L198 I199R133-F155 PolarHBondContact NE-O 3.28Å; R133-F155 PolarHBondContact NH2-O 3.15Å; L151-F155 HydrophobicContact CD2-CD2 4.01Å; L151-F155 HydrophobicContact CD2-CE2 3.92Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 PolarHBondContact O-N 3.39Å; F155-F159 HydrophobicContact CB-CB 3.68Å; F155-F159 HydrophobicContact CB-CD1 3.67Å; F155-F159 HydrophobicContact CB-CD2 4.34Å; F155-F159 HydrophobicContact CB-CE1 4.43Å; F155-F159 HydrophobicContact CB-CG 3.62Å; F155-F159 AromaticContact CD2-CD1 3.61Å; F155-F159 HydrophobicContact CD2-CD1 3.61Å; F155-F159 AromaticContact CD2-CE1 3.58Å; F155-F159 HydrophobicContact CD2-CE1 3.58Å; F155-F159 HydrophobicContact CD2-CG 4.31Å; F155-F159 HydrophobicContact CD2-CZ 4.26Å; F155-F159 HydrophobicContact CE2-CD1 4.4Å; F155-F159 AromaticContact CE2-CE1 3.91Å; F155-F159 HydrophobicContact CE2-CE1 3.91Å; F155-F159 HydrophobicContact CE2-CZ 4.33Å; F155-F159 AromaticContact CG-CD1 3.7Å; F155-F159 HydrophobicContact CG-CD1 3.7Å; F155-F159 HydrophobicContact CG-CD2 4.38Å; F155-F159 AromaticContact CG-CE1 3.95Å; F155-F159 HydrophobicContact CG-CE1 3.95Å; F155-F159 AromaticContact CG-CG 3.93Å; F155-F159 HydrophobicContact CG-CG 3.93Å; F155-F159 HydrophobicContact CG-CZ 4.39Å; F155-M188 HydrophobicContact CE2-CE 4.19Å; F155-L198 HydrophobicContact CE2-CD2 3.65Å; F155-L198 HydrophobicContact CZ-CD2 3.74Å; F155-I199 HydrophobicContact CE1-CD1 3.98Å
156D86.9Confident92.1Very high11 Ų1123.7 Ų23.76%0.05912%0.117CC..  trans-172.5-174.3165.962.96.4000110.9R124 L129 R152 E158 F159 A160R124-D156 IonicContact CZ-OD2 2.8Å; R124-D156 IonicContact NH1-OD2 3.14Å; R124-D156 PolarHBondContact NH1-OD2 3.16Å; L129-D156 HydrophobicContact CD2-CB 4.39Å; L129-D156 WeakPolarHBondContact CD2-OD2 3.38Å; R152-D156 WeakPolarHBondContact O-CA 3.2Å; D156-E158 PolarHBondContact OD1-N 3.03Å; D156-F159 PolarHBondContact O-N 3.25Å; D156-F159 WeakPolarHBondContact OD1-CB 3.5Å; D156-F159 PolarHBondContact OD1-N 3.11Å; D156-A160 PolarHBondContact O-N 3.07Å; D156-A160 VanDerWaalsContact O-N 3.13Å
157S89.8Confident91.9Very high60 Ų6024.7 Ų24.742%0.4212%0.122SC..Hα-helixtrans-58.7-49.2-179.9-66.90000113.4R152 F159 A160 D161R152-S157 PolarHBondContact NH1-OG 3.39Å; S157-F159 VanDerWaalsContact C-N 3.32Å; S157-F159 PolarHBondContact O-N 3.14Å; S157-A160 PolarHBondContact O-N 2.89Å; S157-A160 VanDerWaalsContact O-N 3.12Å; S157-D161 WeakPolarHBondContact O-CB 3.43Å; S157-D161 VanDerWaalsContact O-CG 3.27Å; S157-D161 PolarHBondContact O-N 3.49Å
158E89.6Confident91.9Very high37 Ų3724.7 Ų24.717%0.17312%0.122CC..Hα-helixtrans-63.3-39.9-177.8-64.5178.5169.800111.6F122 T123 D156 A160 D161 Y162F122-E158 WeakPolarHBondContact CA-OE2 3.4Å; F122-E158 HydrophobicContact CD1-CB 4.1Å; T123-E158 VanDerWaalsContact CB-OE1 3.27Å; T123-E158 WeakPolarHBondContact CB-OE1 3.32Å; T123-E158 WeakPolarHBondContact CG2-OE1 3.07Å; T123-E158 PolarHBondContact N-OE1 3Å; T123-E158 PolarHBondContact N-OE2 2.93Å; T123-E158 PolarHBondContact OG1-OE1 2.92Å; T123-E158 PolarHBondContact OG1-OE2 2.71Å; D156-E158 PolarHBondContact OD1-N 3.03Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.38Å; E158-D161 PolarHBondContact O-N 3.11Å; E158-Y162 HydrophobicContact CB-CD2 4.15Å; E158-Y162 HydrophobicContact CB-CE2 4.26Å; E158-Y162 HydrophobicContact CG-CE2 4.47Å; E158-Y162 WeakPolarHBondContact O-CB 3.44Å; E158-Y162 VanDerWaalsContact O-CD2 3.25Å; E158-Y162 WeakPolarHBondContact O-CD2 3.22Å; E158-Y162 PolarHBondContact O-N 3.38Å
159F87.9Confident91.8Very high21 Ų2124.3 Ų24.39%0.09212%0.12CC..Iπ-helixtrans-62-42.2175-170.5-86.7000111.9L151 F155 D156 S157 F163 G164L151-F159 HydrophobicContact CB-CD1 4.23Å; L151-F159 HydrophobicContact CD1-CE1 4.25Å; L151-F159 HydrophobicContact CD2-CE1 4Å; L151-F159 HydrophobicContact CG-CE1 4.48Å; F155-F159 HydrophobicContact CB-CB 3.68Å; F155-F159 HydrophobicContact CB-CD1 3.67Å; F155-F159 HydrophobicContact CB-CD2 4.34Å; F155-F159 HydrophobicContact CB-CE1 4.43Å; F155-F159 HydrophobicContact CB-CG 3.62Å; F155-F159 AromaticContact CD2-CD1 3.61Å; F155-F159 HydrophobicContact CD2-CD1 3.61Å; F155-F159 AromaticContact CD2-CE1 3.58Å; F155-F159 HydrophobicContact CD2-CE1 3.58Å; F155-F159 HydrophobicContact CD2-CG 4.31Å; F155-F159 HydrophobicContact CD2-CZ 4.26Å; F155-F159 HydrophobicContact CE2-CD1 4.4Å; F155-F159 AromaticContact CE2-CE1 3.91Å; F155-F159 HydrophobicContact CE2-CE1 3.91Å; F155-F159 HydrophobicContact CE2-CZ 4.33Å; F155-F159 AromaticContact CG-CD1 3.7Å; F155-F159 HydrophobicContact CG-CD1 3.7Å; F155-F159 HydrophobicContact CG-CD2 4.38Å; F155-F159 AromaticContact CG-CE1 3.95Å; F155-F159 HydrophobicContact CG-CE1 3.95Å; F155-F159 AromaticContact CG-CG 3.93Å; F155-F159 HydrophobicContact CG-CG 3.93Å; F155-F159 HydrophobicContact CG-CZ 4.39Å; D156-F159 PolarHBondContact O-N 3.25Å; D156-F159 WeakPolarHBondContact OD1-CB 3.5Å; D156-F159 PolarHBondContact OD1-N 3.11Å; S157-F159 VanDerWaalsContact C-N 3.32Å; S157-F159 PolarHBondContact O-N 3.14Å; F159-F163 HydrophobicContact CD1-CD1 4.39Å; F159-F163 HydrophobicContact CD2-CB 4.36Å; F159-F163 HydrophobicContact CE1-CB 4.48Å; F159-F163 AromaticContact CE1-CD1 3.53Å; F159-F163 HydrophobicContact CE1-CD1 3.53Å; F159-F163 HydrophobicContact CE1-CE1 4.17Å; F159-F163 HydrophobicContact CE1-CG 4.31Å; F159-F163 HydrophobicContact CE2-CB 4.24Å; F159-F163 AromaticContact CE2-CD1 3.97Å; F159-F163 HydrophobicContact CE2-CD1 3.97Å; F159-F163 HydrophobicContact CE2-CG 4.09Å; F159-F163 HydrophobicContact CZ-CB 4.3Å; F159-F163 AromaticContact CZ-CD1 3.29Å; F159-F163 HydrophobicContact CZ-CD1 3.29Å; F159-F163 AromaticContact CZ-CE1 3.72Å; F159-F163 HydrophobicContact CZ-CE1 3.72Å; F159-F163 AromaticContact CZ-CG 3.88Å; F159-F163 HydrophobicContact CZ-CG 3.88Å; F159-F163 WeakPolarHBondContact O-CB 3.15Å; F159-F163 PolarHBondContact O-N 2.92Å; F159-F163 VanDerWaalsContact O-N 3.08Å; F159-G164 PolarHBondContact O-N 3.47Å
160A92.3Very high91.7Very high0 Ų022.5 Ų22.50%012%0.122CC..Iπ-helixtrans-68.4-45.3177.200000112.2L151 R152 D156 S157 E158 G164 S165L151-A160 HydrophobicContact CB-CB 4.17Å; R152-A160 HydrophobicContact CB-CB 3.85Å; D156-A160 PolarHBondContact O-N 3.07Å; D156-A160 VanDerWaalsContact O-N 3.13Å; S157-A160 PolarHBondContact O-N 2.89Å; S157-A160 VanDerWaalsContact O-N 3.12Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 3.38Å; A160-G164 CarbonylContact O-C 3.55Å; A160-G164 WeakPolarHBondContact O-CA 3.01Å; A160-G164 PolarHBondContact O-N 3.43Å; A160-S165 PolarHBondContact O-N 2.94Å
161D92Very high91.7Very high39 Ų3925.9 Ų25.921%0.20914%0.14CC..Iπ-helixtrans-70.1-38.2-174.6-71.8-41.4000112.5R152 S157 E158 S165 R361 T362R152-D161 IonicContact CZ-OD1 3.33Å; R152-D161 IonicContact CZ-OD2 3.78Å; R152-D161 IonicContact NH1-OD1 2.71Å; R152-D161 IonicContact NH1-OD2 2.95Å; R152-D161 PolarHBondContact NH1-OD2 2.97Å; R152-D161 VanDerWaalsContact NH2-CG 3.32Å; R152-D161 IonicContact NH2-OD1 2.57Å; R152-D161 PolarHBondContact NH2-OD1 2.8Å; R152-D161 IonicContact NH2-OD2 3.06Å; R152-D161 PolarHBondContact NH2-OD2 2.81Å; S157-D161 WeakPolarHBondContact O-CB 3.43Å; S157-D161 VanDerWaalsContact O-CG 3.27Å; S157-D161 PolarHBondContact O-N 3.49Å; E158-D161 PolarHBondContact O-N 3.11Å; D161-S165 WeakPolarHBondContact O-CB 3.41Å; D161-R361 IonicContact OD1-NH2 3.44Å; D161-T362 HydrophobicContact CB-CG2 4.38Å
162Y91.4Very high91.9Very high40 Ų4026 Ų2616%0.15714%0.14CC..Iπ-helixtrans-91.9-70.1177.6-60.8-55.8000111.9I104 P121 F122 E158 A166 P360 T362I104-Y162 HydrophobicContact CD1-CD1 3.93Å; I104-Y162 HydrophobicContact CD1-CG 3.96Å; I104-Y162 HydrophobicContact CG1-CD1 4.5Å; I104-Y162 HydrophobicContact CG2-CD1 4.01Å; I104-Y162 HydrophobicContact CG2-CE1 3.76Å; P121-Y162 HydrophobicContact CG-CE1 4.37Å; P121-Y162 HydrophobicContact CG-CE2 3.98Å; F122-Y162 HydrophobicContact CD1-CD2 4.1Å; F122-Y162 AromaticContact CE1-CD2 3.66Å; F122-Y162 HydrophobicContact CE1-CD2 3.66Å; F122-Y162 HydrophobicContact CE1-CG 4.26Å; F122-Y162 HydrophobicContact CZ-CD2 4.11Å; F122-Y162 HydrophobicContact CZ-CG 4.36Å; E158-Y162 HydrophobicContact CB-CD2 4.15Å; E158-Y162 HydrophobicContact CB-CE2 4.26Å; E158-Y162 HydrophobicContact CG-CE2 4.47Å; E158-Y162 WeakPolarHBondContact O-CB 3.44Å; E158-Y162 VanDerWaalsContact O-CD2 3.25Å; E158-Y162 WeakPolarHBondContact O-CD2 3.22Å; E158-Y162 PolarHBondContact O-N 3.38Å; Y162-A166 WeakPolarHBondContact O-CB 3.44Å; Y162-A166 PolarHBondContact O-N 3.14Å; Y162-P360 HydrophobicContact CD1-CB 4.32Å; Y162-P360 HydrophobicContact CD1-CG 4.24Å; Y162-T362 WeakPolarHBondContact CE1-OG1 3.37Å
163F89.2Confident92.2Very high49 Ų4923 Ų2322%0.21513%0.13CC..Iπ-helixtrans-69.9-49-171.8179.8-90000112.1M102 M111 F159 S165 A166 L167M102-F163 HydrophobicContact SD-CB 4.38Å; M102-F163 HydrophobicContact SD-CD2 4.23Å; M111-F163 HydrophobicContact CG-CE2 4.46Å; M111-F163 HydrophobicContact SD-CD2 4.01Å; M111-F163 HydrophobicContact SD-CE2 3.79Å; F159-F163 HydrophobicContact CD1-CD1 4.39Å; F159-F163 HydrophobicContact CD2-CB 4.36Å; F159-F163 HydrophobicContact CE1-CB 4.48Å; F159-F163 AromaticContact CE1-CD1 3.53Å; F159-F163 HydrophobicContact CE1-CD1 3.53Å; F159-F163 HydrophobicContact CE1-CE1 4.17Å; F159-F163 HydrophobicContact CE1-CG 4.31Å; F159-F163 HydrophobicContact CE2-CB 4.24Å; F159-F163 AromaticContact CE2-CD1 3.97Å; F159-F163 HydrophobicContact CE2-CD1 3.97Å; F159-F163 HydrophobicContact CE2-CG 4.09Å; F159-F163 HydrophobicContact CZ-CB 4.3Å; F159-F163 AromaticContact CZ-CD1 3.29Å; F159-F163 HydrophobicContact CZ-CD1 3.29Å; F159-F163 AromaticContact CZ-CE1 3.72Å; F159-F163 HydrophobicContact CZ-CE1 3.72Å; F159-F163 AromaticContact CZ-CG 3.88Å; F159-F163 HydrophobicContact CZ-CG 3.88Å; F159-F163 WeakPolarHBondContact O-CB 3.15Å; F159-F163 PolarHBondContact O-N 2.92Å; F159-F163 VanDerWaalsContact O-N 3.08Å; F163-S165 PolarHBondContact O-N 3.36Å; F163-A166 PolarHBondContact O-N 3.15Å; F163-L167 HydrophobicContact CE1-CD2 4.04Å; F163-L167 HydrophobicContact CZ-CD2 4.46Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.19Å
164G92.7Very high92.5Very high0 Ų021.7 Ų21.70%012%0.121CC..Iπ-helixtrans-60-45.6179.500000112.5F159 A160 M168F159-G164 PolarHBondContact O-N 3.47Å; A160-G164 CarbonylContact O-C 3.55Å; A160-G164 WeakPolarHBondContact O-CA 3.01Å; A160-G164 PolarHBondContact O-N 3.43Å; G164-M168 WeakPolarHBondContact O-CG 3.26Å; G164-M168 PolarHBondContact O-N 3.47Å; G164-M168 VanDerWaalsContact O-N 3.15Å
165S95.1Very high92.9Very high0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-61.9-54.2175.5-171.80000111.9A160 D161 F163 L167 M168 R169 R361A160-S165 PolarHBondContact O-N 2.94Å; D161-S165 WeakPolarHBondContact O-CB 3.41Å; F163-S165 PolarHBondContact O-N 3.36Å; S165-L167 VanDerWaalsContact C-N 3.33Å; S165-L167 PolarHBondContact O-N 3.06Å; S165-M168 PolarHBondContact O-N 3.39Å; S165-R169 WeakPolarHBondContact O-CB 3.47Å; S165-R169 VanDerWaalsContact O-CG 3.29Å; S165-R169 WeakPolarHBondContact O-CG 3.46Å; S165-R169 PolarHBondContact O-N 2.8Å; S165-R361 WeakPolarHBondContact OG-CB 3.35Å; S165-R361 PolarHBondContact OG-N 2.91Å
166A95.1Very high93.4Very high0 Ų021 Ų210%012%0.119CC..Hα-helixtrans-57.7-45.2-178.600000111.7M102 Y162 F163 M168 R169 G170 L358 P360M102-A166 HydrophobicContact CG-CB 4.33Å; M102-A166 HydrophobicContact SD-CB 4.23Å; Y162-A166 WeakPolarHBondContact O-CB 3.44Å; Y162-A166 PolarHBondContact O-N 3.14Å; F163-A166 PolarHBondContact O-N 3.15Å; A166-M168 PolarHBondContact O-N 3.08Å; A166-R169 PolarHBondContact O-N 3.34Å; A166-G170 PolarHBondContact O-N 2.95Å; A166-L358 HydrophobicContact CB-CB 3.84Å; A166-L358 WeakPolarHBondContact O-CD1 3.5Å; A166-P360 HydrophobicContact CB-CB 4.35Å; A166-P360 HydrophobicContact CB-CG 4.04Å
167L93.7Very high93.9Very high36 Ų3626.6 Ų26.619%0.18814%0.139CC..Hα-helixtrans-59.6-48.1178.4-176.568.5000112F163 S165 G170 I171 L185F163-L167 HydrophobicContact CE1-CD2 4.04Å; F163-L167 HydrophobicContact CZ-CD2 4.46Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.19Å; S165-L167 VanDerWaalsContact C-N 3.33Å; S165-L167 PolarHBondContact O-N 3.06Å; L167-G170 PolarHBondContact O-N 3.35Å; L167-I171 HydrophobicContact CD1-CD1 3.77Å; L167-I171 HydrophobicContact CD1-CG1 4.46Å; L167-I171 HydrophobicContact CG-CD1 3.95Å; L167-I171 WeakPolarHBondContact O-CG1 3.2Å; L167-I171 PolarHBondContact O-N 3.48Å; L167-L185 HydrophobicContact CD2-CD2 4.23Å
168M96.6Very high94.3Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-69.8-34.3-179.1-71.2-56.4101.100112.7V147 G164 S165 A166 G170 I171 F172 L179 C184 L185V147-M168 HydrophobicContact CB-CG 4.08Å; V147-M168 HydrophobicContact CB-SD 4.24Å; V147-M168 HydrophobicContact CG1-CE 4.4Å; V147-M168 HydrophobicContact CG1-CG 3.61Å; V147-M168 HydrophobicContact CG1-SD 3.94Å; V147-M168 HydrophobicContact CG2-CG 4.28Å; V147-M168 HydrophobicContact CG2-SD 3.78Å; G164-M168 WeakPolarHBondContact O-CG 3.26Å; G164-M168 PolarHBondContact O-N 3.47Å; G164-M168 VanDerWaalsContact O-N 3.15Å; S165-M168 PolarHBondContact O-N 3.39Å; A166-M168 PolarHBondContact O-N 3.08Å; M168-G170 VanDerWaalsContact C-N 3.35Å; M168-I171 HydrophobicContact CE-CD1 4.24Å; M168-F172 WeakPolarHBondContact O-CA 3.31Å; M168-F172 WeakPolarHBondContact O-CB 3.33Å; M168-F172 PolarHBondContact O-N 2.92Å; M168-F172 HydrophobicContact SD-CD2 3.94Å; M168-F172 HydrophobicContact SD-CE2 4.2Å; M168-L179 HydrophobicContact CB-CD1 3.74Å; M168-L179 HydrophobicContact CG-CD1 3.8Å; M168-L179 HydrophobicContact SD-CD1 3.52Å; M168-L179 VanDerWaalsContact SD-CD1 3.52Å; M168-C184 HydrophobicContact SD-CB 4.08Å; M168-L185 HydrophobicContact CE-CD2 3.94Å; M168-L185 HydrophobicContact CE-CG 4.39Å
169R96.2Very high94.7Very high4 Ų426.4 Ų26.42%0.01514%0.135CC..Hα-helixtrans-64.4-40.5170.8-72-177.676.1176.716.5111.8S165 A166 A173 A174 V359 P360 R361 D364 E365 I367 L368S165-R169 WeakPolarHBondContact O-CB 3.47Å; S165-R169 VanDerWaalsContact O-CG 3.29Å; S165-R169 WeakPolarHBondContact O-CG 3.46Å; S165-R169 PolarHBondContact O-N 2.8Å; A166-R169 PolarHBondContact O-N 3.34Å; R169-A173 WeakPolarHBondContact O-CA 3.25Å; R169-A173 PolarHBondContact O-N 2.74Å; R169-A174 WeakPolarHBondContact CG-O 3.44Å; R169-V359 WeakPolarHBondContact CD-O 3.37Å; R169-V359 PolarHBondContact NH1-O 2.89Å; R169-P360 PolarHBondContact NH1-O 3.24Å; R169-R361 VanDerWaalsContact NH1-N 3.17Å; R169-D364 PolarHBondContact NH1-O 2.99Å; R169-D364 PolarHBondContact NH2-O 3.44Å; R169-E365 PolarHBondContact NH2-O 2.95Å; R169-I367 PolarHBondContact NH1-O 2.93Å; R169-I367 PolarHBondContact NH2-O 3.31Å; R169-L368 HydrophobicContact CB-CD2 3.94Å; R169-L368 HydrophobicContact CG-CD2 4.36Å
170G94.3Very high95.2Very high41 Ų4125.4 Ų25.442%0.42313%0.13SC..Hα-helixtrans-67.2-38177.400000114.1A166 L167 M168A166-G170 PolarHBondContact O-N 2.95Å; L167-G170 PolarHBondContact O-N 3.35Å; M168-G170 VanDerWaalsContact C-N 3.35Å
171I94.5Very high95.4Very high72 Ų7225.4 Ų25.437%0.36913%0.131SC..Hα-helixtrans-88.8-43.3-176.3-61.7171.7000112.1L167 M168 V489L167-I171 HydrophobicContact CD1-CD1 3.77Å; L167-I171 HydrophobicContact CD1-CG1 4.46Å; L167-I171 HydrophobicContact CG-CD1 3.95Å; L167-I171 WeakPolarHBondContact O-CG1 3.2Å; L167-I171 PolarHBondContact O-N 3.48Å; M168-I171 HydrophobicContact CE-CD1 4.24Å; I171-V489 HydrophobicContact CG2-CG2 3.94Å
172F96.9Very high95.6Very high6 Ų627.6 Ų27.63%0.02614%0.136CC..Hα-helixtrans-113-4-169.7-70.6-85.1000114M168 A174 L179 C184 I447 P448 Y450 V489M168-F172 WeakPolarHBondContact O-CA 3.31Å; M168-F172 WeakPolarHBondContact O-CB 3.33Å; M168-F172 PolarHBondContact O-N 2.92Å; M168-F172 HydrophobicContact SD-CD2 3.94Å; M168-F172 HydrophobicContact SD-CE2 4.2Å; F172-A174 HydrophobicContact CB-CB 3.75Å; F172-A174 WeakPolarHBondContact O-CB 3.17Å; F172-A174 PolarHBondContact O-N 3.14Å; F172-A174 VanDerWaalsContact O-N 3.11Å; F172-L179 HydrophobicContact CB-CD1 3.89Å; F172-L179 HydrophobicContact CB-CD2 4.42Å; F172-L179 HydrophobicContact CD1-CD2 4.48Å; F172-L179 HydrophobicContact CD2-CD1 3.85Å; F172-L179 HydrophobicContact CG-CD1 3.95Å; F172-L179 HydrophobicContact CG-CD2 4.36Å; F172-C184 HydrophobicContact CE2-CB 3.62Å; F172-C184 VanDerWaalsContact CE2-SG 3.53Å; F172-C184 HydrophobicContact CZ-CB 3.86Å; F172-C184 WeakPolarHBondContact CZ-SG 3.32Å; F172-I447 HydrophobicContact CD1-CG2 4.31Å; F172-P448 WeakPolarHBondContact CD1-O 3.5Å; F172-Y450 AromaticContact CE1-CD2 3.9Å; F172-Y450 HydrophobicContact CE1-CD2 3.9Å; F172-Y450 AromaticContact CE1-CE2 3.95Å; F172-Y450 HydrophobicContact CE1-CE2 3.95Å; F172-Y450 HydrophobicContact CZ-CD2 4.24Å; F172-Y450 HydrophobicContact CZ-CE2 4.35Å; F172-V489 HydrophobicContact CD1-CG1 3.98Å; F172-V489 HydrophobicContact CD1-CG2 4.17Å; F172-V489 HydrophobicContact CE1-CB 4.24Å; F172-V489 HydrophobicContact CE1-CG1 3.52Å; F172-V489 HydrophobicContact CE1-CG2 3.65Å; F172-V489 HydrophobicContact CZ-CG1 4.43Å; F172-V489 HydrophobicContact CZ-CG2 3.85Å
173A96.7Very high95.8Very high5 Ų526.4 Ų26.44%0.04114%0.135CC..SBendtrans50.531.3-167.400000112.6R169 V337 L368 K394 I447R169-A173 WeakPolarHBondContact O-CA 3.25Å; R169-A173 PolarHBondContact O-N 2.74Å; A173-V337 HydrophobicContact CB-CG2 3.5Å; A173-L368 HydrophobicContact CB-CD1 3.7Å; A173-L368 HydrophobicContact CB-CD2 4.43Å; A173-K394 WeakPolarHBondContact O-CE 3.25Å; A173-I447 HydrophobicContact CB-CD1 4.03Å
174A96.5Very high96.2Very high1 Ų124.9 Ų24.91%0.00813%0.129CC..SBendtrans-130168.9-166.700000112.4R169 F172 L179 Q449R169-A174 WeakPolarHBondContact CG-O 3.44Å; F172-A174 HydrophobicContact CB-CB 3.75Å; F172-A174 WeakPolarHBondContact O-CB 3.17Å; F172-A174 PolarHBondContact O-N 3.14Å; F172-A174 VanDerWaalsContact O-N 3.11Å; A174-L179 HydrophobicContact CB-CD1 4.02Å; A174-L179 HydrophobicContact CB-CD2 4.06Å; A174-L179 HydrophobicContact CB-CG 4.18Å; A174-Q449 HydrophobicContact CB-CG 3.83Å
175D96.9Very high96.2Very high19 Ų1925.6 Ų25.610%0.10213%0.133CC..  trans-85128.7175.8-168.9-46.7000110.3R177 N178 R361D175-R177 PolarHBondContact O-N 2.9Å; D175-R177 VanDerWaalsContact O-N 3.09Å; D175-R177 VanDerWaalsContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CB 3.12Å; D175-R177 WeakPolarHBondContact OD1-CG 3.47Å; D175-R177 PolarHBondContact OD1-N 2.64Å; D175-R177 IonicContact OD1-NE 3.35Å; D175-R177 PolarHBondContact OD1-NE 3.41Å; D175-R177 VanDerWaalsContact OD1-NE 3.11Å; D175-R177 IonicContact OD2-CZ 2.82Å; D175-R177 IonicContact OD2-NE 2.73Å; D175-R177 PolarHBondContact OD2-NE 3.31Å; D175-R177 VanDerWaalsContact OD2-NE 3.12Å; D175-R177 IonicContact OD2-NH2 3.69Å; D175-R177 PolarHBondContact OD2-NH2 2.99Å; D175-N178 PolarHBondContact O-N 2.83Å; D175-R361 IonicContact OD1-CZ 2.68Å; D175-R361 IonicContact OD1-NH1 3.44Å; D175-R361 PolarHBondContact OD1-NH1 3.18Å; D175-R361 VanDerWaalsContact OD2-CD 3.25Å; D175-R361 WeakPolarHBondContact OD2-CD 3.42Å; D175-R361 IonicContact OD2-CZ 2.74Å; D175-R361 IonicContact OD2-NE 2.65Å; D175-R361 IonicContact OD2-NH1 3.3Å; D175-R361 PolarHBondContact OD2-NH1 3.26Å
176S97.4Very high96Very high0 Ų029 Ų290%016%0.156CC..G310 helixtrans-56.2-23.717752.30000114.3V147 D148 N178V147-S176 WeakPolarHBondContact CB-O 3.37Å; V147-S176 PolarHBondContact N-O 3.08Å; D148-S176 PolarHBondContact N-O 3.38Å; S176-N178 VanDerWaalsContact C-N 3.26Å; S176-N178 PolarHBondContact O-N 2.98Å
177R97.7Very high95.6Very high128 Ų12832.2 Ų32.248%0.48318%0.175SC..G310 helixtrans-74.9-13.6176.8-61.1174.8-66.2173.70.4113.3T146 D148 D175 R361T146-R177 WeakPolarHBondContact CG2-O 3.4Å; D148-R177 HydrophobicContact CB-CB 4.38Å; D148-R177 HydrophobicContact CB-CG 3.68Å; D175-R177 PolarHBondContact O-N 2.9Å; D175-R177 VanDerWaalsContact O-N 3.09Å; D175-R177 VanDerWaalsContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CB 3.12Å; D175-R177 WeakPolarHBondContact OD1-CG 3.47Å; D175-R177 PolarHBondContact OD1-N 2.64Å; D175-R177 IonicContact OD1-NE 3.35Å; D175-R177 PolarHBondContact OD1-NE 3.41Å; D175-R177 VanDerWaalsContact OD1-NE 3.11Å; D175-R177 IonicContact OD2-CZ 2.82Å; D175-R177 IonicContact OD2-NE 2.73Å; D175-R177 PolarHBondContact OD2-NE 3.31Å; D175-R177 VanDerWaalsContact OD2-NE 3.12Å; D175-R177 IonicContact OD2-NH2 3.69Å; D175-R177 PolarHBondContact OD2-NH2 2.99Å; R177-R361 VanDerWaalsContact NE-NH1 3.17Å
178N97.9Very high95.3Very high93 Ų9332.2 Ų32.250%0.49718%0.175SC..G310 helixtrans-110.4-0.4-178.5-62.6-18.1000112.6D175 S176 P451D175-N178 PolarHBondContact O-N 2.83Å; S176-N178 VanDerWaalsContact C-N 3.26Å; S176-N178 PolarHBondContact O-N 2.98Å; N178-P451 WeakPolarHBondContact O-CA 3.33Å
179L98.4Very high95Very high0 Ų032.9 Ų32.90%018%0.179CC..SBendtrans-107.7137.7-174.6-67.2176.6000111.5T146 V147 M168 F172 A174 A181 Q449 Y450T146-L179 CarbonylContact C-O 3.44Å; T146-L179 WeakPolarHBondContact CA-O 3.33Å; V147-L179 HydrophobicContact CG2-CB 3.94Å; V147-L179 PolarHBondContact N-O 3.33Å; M168-L179 HydrophobicContact CB-CD1 3.74Å; M168-L179 HydrophobicContact CG-CD1 3.8Å; M168-L179 HydrophobicContact SD-CD1 3.52Å; M168-L179 VanDerWaalsContact SD-CD1 3.52Å; F172-L179 HydrophobicContact CB-CD1 3.89Å; F172-L179 HydrophobicContact CB-CD2 4.42Å; F172-L179 HydrophobicContact CD1-CD2 4.48Å; F172-L179 HydrophobicContact CD2-CD1 3.85Å; F172-L179 HydrophobicContact CG-CD1 3.95Å; F172-L179 HydrophobicContact CG-CD2 4.36Å; A174-L179 HydrophobicContact CB-CD1 4.02Å; A174-L179 HydrophobicContact CB-CD2 4.06Å; A174-L179 HydrophobicContact CB-CG 4.18Å; L179-A181 PolarHBondContact O-N 2.6Å; L179-Q449 HydrophobicContact CD2-CB 3.92Å; L179-Y450 CarbonylContact C-O 3.58Å; L179-Y450 VanDerWaalsContact CA-O 3.29Å; L179-Y450 WeakPolarHBondContact CA-O 3.26Å
180S98.3Very high94.6Very high0 Ų035.8 Ų35.80%019%0.191CC..BIsolated β-bridgetrans-65.5124.7172.6167.30000111.2D144 R182 A183 C184 Y450 P451D144-S180 PolarHBondContact OD1-OG 2.98Å; D144-S180 VanDerWaalsContact OD1-OG 3.08Å; D144-S180 VanDerWaalsContact OD2-CB 3.29Å; D144-S180 WeakPolarHBondContact OD2-CB 3.36Å; D144-S180 PolarHBondContact OD2-OG 2.8Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 2.8Å; S180-R182 PolarHBondContact OG-N 3.35Å; S180-A183 PolarHBondContact O-N 2.85Å; S180-A183 PolarHBondContact OG-N 3.39Å; S180-C184 WeakPolarHBondContact O-CB 3.47Å; S180-C184 PolarHBondContact O-N 3.08Å; S180-C184 PolarHBondContact O-SG 3.47Å; S180-C184 VanDerWaalsContact O-SG 3.35Å; S180-Y450 PolarHBondContact N-O 2.81Å; S180-P451 WeakPolarHBondContact CB-O 3.32Å
181A96.9Very high94.3Very high1 Ų137.1 Ų37.11%0.00818%0.184CC..Hα-helixtrans-62.5-38.3171.700000111.4W145 V147 F150 L179 L185 V189W145-A181 HydrophobicContact CB-CB 4.21Å; W145-A181 WeakPolarHBondContact O-CB 3.41Å; W145-A181 PolarHBondContact O-N 2.75Å; V147-A181 HydrophobicContact CG2-CB 4.46Å; F150-A181 HydrophobicContact CB-CB 3.61Å; F150-A181 HydrophobicContact CD1-CB 4.33Å; F150-A181 HydrophobicContact CD2-CB 4.16Å; F150-A181 HydrophobicContact CG-CB 3.79Å; L179-A181 PolarHBondContact O-N 2.6Å; A181-L185 CarbonylContact O-C 3.58Å; A181-L185 WeakPolarHBondContact O-CA 3.47Å; A181-L185 WeakPolarHBondContact O-CB 3.27Å; A181-L185 PolarHBondContact O-N 3.16Å; A181-V189 HydrophobicContact CB-CG2 4.14Å; A181-V189 WeakPolarHBondContact O-CG2 3.3Å
182R95.3Very high94Very high84 Ų8433.8 Ų33.832%0.31717%0.167SC..Hα-helixtrans-69.7-37.3-179.6-166.7178.6-68.3104.5-1.6112.4S143 D144 S180 P186 V189 L455S143-R182 PolarHBondContact O-NH1 3.23Å; S143-R182 PolarHBondContact O-NH2 3.48Å; D144-R182 WeakPolarHBondContact OD1-CB 3.1Å; D144-R182 PolarHBondContact OD1-N 3.02Å; D144-R182 IonicContact OD1-NH1 3.29Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 2.8Å; S180-R182 PolarHBondContact OG-N 3.35Å; R182-P186 WeakPolarHBondContact O-CA 3.12Å; R182-P186 WeakPolarHBondContact O-CB 3.42Å; R182-V189 HydrophobicContact CG-CG1 4.28Å; R182-L455 HydrophobicContact CB-CD1 4.21Å; R182-L455 HydrophobicContact CG-CD1 3.67Å
183A96.5Very high93.3Very high16 Ų1639.2 Ų39.213%0.13219%0.192CC..Hα-helixtrans-77.3-40.717800000112.3S180 Y450 H454 L455S180-A183 PolarHBondContact O-N 2.85Å; S180-A183 PolarHBondContact OG-N 3.39Å; A183-Y450 HydrophobicContact CB-CD2 3.79Å; A183-Y450 HydrophobicContact CB-CG 4.15Å; A183-H454 HydrophobicContact CB-CB 4.49Å; A183-L455 HydrophobicContact CB-CD2 4.31Å; A183-L455 HydrophobicContact CB-CG 4.19Å
184C96.5Very high92.7Very high16 Ų1641.8 Ų41.811%0.10820%0.201CC..Hα-helixtrans-91.3-26.4-171.7-60.60000113.9V147 M168 F172 S180V147-C184 HydrophobicContact CG2-CB 4.02Å; M168-C184 HydrophobicContact SD-CB 4.08Å; F172-C184 HydrophobicContact CE2-CB 3.62Å; F172-C184 VanDerWaalsContact CE2-SG 3.53Å; F172-C184 HydrophobicContact CZ-CB 3.86Å; F172-C184 WeakPolarHBondContact CZ-SG 3.32Å; S180-C184 WeakPolarHBondContact O-CB 3.47Å; S180-C184 PolarHBondContact O-N 3.08Å; S180-C184 PolarHBondContact O-SG 3.47Å; S180-C184 VanDerWaalsContact O-SG 3.35Å
185L92.8Very high92Very high15 Ų1542.4 Ų42.48%0.07921%0.207CC..SBendtrans-128.250.5179.6-59.3175.4000111.8V147 L151 L167 M168 A181 T187 M188 V189V147-L185 HydrophobicContact CG1-CD1 3.78Å; V147-L185 HydrophobicContact CG2-CD1 4.3Å; V147-L185 HydrophobicContact CG2-CG 4.49Å; L151-L185 HydrophobicContact CD2-CD1 4.39Å; L167-L185 HydrophobicContact CD2-CD2 4.23Å; M168-L185 HydrophobicContact CE-CD2 3.94Å; M168-L185 HydrophobicContact CE-CG 4.39Å; A181-L185 CarbonylContact O-C 3.58Å; A181-L185 WeakPolarHBondContact O-CA 3.47Å; A181-L185 WeakPolarHBondContact O-CB 3.27Å; A181-L185 PolarHBondContact O-N 3.16Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.93Å; L185-M188 HydrophobicContact CB-CB 4.25Å; L185-M188 HydrophobicContact CB-SD 4.37Å; L185-M188 HydrophobicContact CD1-SD 4.12Å; L185-M188 HydrophobicContact CD2-SD 4.16Å; L185-M188 HydrophobicContact CG-SD 4.47Å; L185-M188 PolarHBondContact O-N 3.04Å; L185-V189 PolarHBondContact O-N 2.86Å
186P90.6Very high91.4Very high73 Ų7345.4 Ų45.447%0.47423%0.228SC..Hα-helixtrans-59.1-38.7-168.523.6-34.7000112.9R182 K190R182-P186 WeakPolarHBondContact O-CA 3.12Å; R182-P186 WeakPolarHBondContact O-CB 3.42Å; P186-K190 VanDerWaalsContact O-CB 3.26Å; P186-K190 WeakPolarHBondContact O-CB 3.28Å; P186-K190 PolarHBondContact O-N 2.68Å
187T87.4Confident90.9Very high66 Ų6646 Ų4641%0.40523%0.232SC..Hα-helixtrans-66-41.317849.30000112.2L185 K190 W191L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 2.93Å; T187-K190 PolarHBondContact O-N 2.81Å; T187-W191 WeakPolarHBondContact O-CB 3.1Å; T187-W191 VanDerWaalsContact O-CD2 3.27Å; T187-W191 PolarHBondContact O-N 2.93Å
188M87.7Confident90.3Very high37 Ų3740.1 Ų40.118%0.18221%0.209CC..Hα-helixtrans-68-41.7178.2-68179.367.100111.7F150 L151 F155 L185 W191 E192 L198F150-M188 HydrophobicContact CE1-CB 4.29Å; F150-M188 HydrophobicContact CE1-CE 4.32Å; L151-M188 HydrophobicContact CD2-CE 3.96Å; F155-M188 HydrophobicContact CE2-CE 4.19Å; L185-M188 HydrophobicContact CB-CB 4.25Å; L185-M188 HydrophobicContact CB-SD 4.37Å; L185-M188 HydrophobicContact CD1-SD 4.12Å; L185-M188 HydrophobicContact CD2-SD 4.16Å; L185-M188 HydrophobicContact CG-SD 4.47Å; L185-M188 PolarHBondContact O-N 3.04Å; M188-W191 HydrophobicContact CG-CE3 4.29Å; M188-W191 HydrophobicContact CG-CZ3 4.29Å; M188-W191 PolarHBondContact O-N 3.43Å; M188-E192 PolarHBondContact O-N 3.17Å; M188-L198 HydrophobicContact CE-CD2 4.12Å; M188-L198 VanDerWaalsContact O-CD1 3.28Å; M188-L198 WeakPolarHBondContact O-CD1 3.44Å
189V90.6Very high89.7Confident13 Ų1336.5 Ų36.58%0.07919%0.19CC..Hα-helixtrans-62.1-46.2176.3173.40000110.4F150 A181 R182 L185 W191 E192F150-V189 HydrophobicContact CD2-CG2 4.43Å; F150-V189 HydrophobicContact CE2-CG2 3.97Å; F150-V189 HydrophobicContact CZ-CG2 4.06Å; A181-V189 HydrophobicContact CB-CG2 4.14Å; A181-V189 WeakPolarHBondContact O-CG2 3.3Å; R182-V189 HydrophobicContact CG-CG1 4.28Å; L185-V189 PolarHBondContact O-N 2.86Å; V189-W191 PolarHBondContact O-N 3.27Å; V189-E192 WeakPolarHBondContact O-CB 3.49Å; V189-E192 PolarHBondContact O-N 2.89Å
190K87.9Confident89Confident66 Ų6638.9 Ų38.929%0.28720%0.203SC..Hα-helixtrans-62.8-40.2176.2-171.7-178.4178.7-161.20112.3P186 T187 E192 E193 Y194 L211 D212P186-K190 VanDerWaalsContact O-CB 3.26Å; P186-K190 WeakPolarHBondContact O-CB 3.28Å; P186-K190 PolarHBondContact O-N 2.68Å; T187-K190 PolarHBondContact O-N 2.81Å; K190-E192 VanDerWaalsContact C-N 3.27Å; K190-E192 PolarHBondContact O-N 3.08Å; K190-E193 VanDerWaalsContact O-CB 3.32Å; K190-E193 WeakPolarHBondContact O-CB 3.18Å; K190-E193 PolarHBondContact O-N 3.06Å; K190-Y194 VanDerWaalsContact CE-OH 3.3Å; K190-Y194 WeakPolarHBondContact CE-OH 3.45Å; K190-Y194 HydrophobicContact CG-CE2 4.35Å; K190-L211 PolarHBondContact NZ-O 3.28Å; K190-D212 WeakPolarHBondContact CE-OD1 3.49Å; K190-D212 IonicContact NZ-OD1 3.04Å; K190-D212 PolarHBondContact NZ-OD1 3.36Å
191W87.3Confident88.4Confident68 Ų6838.9 Ų38.926%0.25820%0.203SC..Hα-helixtrans-61.5-36.3178.2-68.3-19.6000112.8T187 M188 V189 E193 Y194 G201 I202 S205 D212T187-W191 WeakPolarHBondContact O-CB 3.1Å; T187-W191 VanDerWaalsContact O-CD2 3.27Å; T187-W191 PolarHBondContact O-N 2.93Å; M188-W191 HydrophobicContact CG-CE3 4.29Å; M188-W191 HydrophobicContact CG-CZ3 4.29Å; M188-W191 PolarHBondContact O-N 3.43Å; V189-W191 PolarHBondContact O-N 3.27Å; W191-E193 PolarHBondContact O-N 3.41Å; W191-Y194 PolarHBondContact O-N 3.03Å; W191-Y194 VanDerWaalsContact O-N 3.15Å; W191-G201 CarbonylContact O-C 3.53Å; W191-G201 WeakPolarHBondContact O-CA 3.41Å; W191-I202 HydrophobicContact CB-CG1 4.29Å; W191-I202 HydrophobicContact CD2-CG1 4.35Å; W191-I202 HydrophobicContact CE3-CD1 4.42Å; W191-I202 HydrophobicContact CE3-CG1 3.69Å; W191-I202 HydrophobicContact CZ3-CG1 4.38Å; W191-S205 VanDerWaalsContact CD1-CB 3.42Å; W191-D212 PolarHBondContact NE1-OD2 2.85Å
192E87.3Confident87.9Confident3 Ų340.8 Ų40.81%0.01421%0.212CC..Hα-helixtrans-59.9-29.6174.4-170.9179.5-119.100112.3R138 R154 M188 V189 K190 Y194 G195 L198R138-E192 IonicContact CZ-OE2 2.61Å; R138-E192 IonicContact NE-OE2 2.85Å; R138-E192 PolarHBondContact NE-OE2 3.08Å; R138-E192 IonicContact NH2-OE2 2.67Å; R138-E192 PolarHBondContact NH2-OE2 3.48Å; R154-E192 IonicContact CZ-OE1 3.12Å; R154-E192 IonicContact CZ-OE2 3.89Å; R154-E192 IonicContact NE-OE1 3.75Å; R154-E192 PolarHBondContact NE-OE1 3.28Å; R154-E192 IonicContact NE-OE2 3.65Å; R154-E192 IonicContact NH2-OE1 3.73Å; R154-E192 PolarHBondContact NH2-OE1 2.76Å; R154-E192 IonicContact NH2-OE2 3.11Å; R154-E192 PolarHBondContact NH2-OE2 2.89Å; M188-E192 PolarHBondContact O-N 3.17Å; V189-E192 WeakPolarHBondContact O-CB 3.49Å; V189-E192 PolarHBondContact O-N 2.89Å; K190-E192 VanDerWaalsContact C-N 3.27Å; K190-E192 PolarHBondContact O-N 3.08Å; E192-Y194 PolarHBondContact O-N 3.1Å; E192-G195 PolarHBondContact O-N 2.8Å; E192-L198 HydrophobicContact CB-CB 4.42Å; E192-L198 HydrophobicContact CB-CD1 4.11Å; E192-L198 HydrophobicContact CG-CB 4.34Å
193E83.7Confident87.3Confident120 Ų12040.7 Ų40.756%0.56122%0.217SC*.Hα-helixtrans-68.3-21.7178.9-58.6176.6172.500113.1K190 W191 G195K190-E193 VanDerWaalsContact O-CB 3.32Å; K190-E193 WeakPolarHBondContact O-CB 3.18Å; K190-E193 PolarHBondContact O-N 3.06Å; W191-E193 PolarHBondContact O-N 3.41Å; E193-G195 VanDerWaalsContact C-N 3.29Å; E193-G195 PolarHBondContact O-N 3.01Å
194Y82.9Confident86.7Confident58 Ų5843.2 Ų43.223%0.22723%0.228CC..THydrogen-bonded Turntrans-77.7-9.8178-64.7-56.5000114.2K190 W191 E192 L204 L211K190-Y194 VanDerWaalsContact CE-OH 3.3Å; K190-Y194 WeakPolarHBondContact CE-OH 3.45Å; K190-Y194 HydrophobicContact CG-CE2 4.35Å; W191-Y194 PolarHBondContact O-N 3.03Å; W191-Y194 VanDerWaalsContact O-N 3.15Å; E192-Y194 PolarHBondContact O-N 3.1Å; Y194-L204 WeakPolarHBondContact O-CD1 3.42Å; Y194-L211 HydrophobicContact CE1-CD1 3.72Å; Y194-L211 WeakPolarHBondContact OH-CB 3.25Å
195G82.4Confident85.9Confident14 Ų1442.9 Ų42.914%0.14423%0.226CC..SBendtrans-147.4173.4-174.300000113.8E192 E193 N197E192-G195 PolarHBondContact O-N 2.8Å; E193-G195 VanDerWaalsContact C-N 3.29Å; E193-G195 PolarHBondContact O-N 3.01Å; G195-N197 PolarHBondContact O-N 2.79Å
196P83.2Confident85.1Confident83 Ų8350 Ų5054%0.53925%0.252SS..SBendtrans-72.1-14.8178.330.8-36.6000113.1L200P196-L200 HydrophobicContact CG-CB 4.37Å; P196-L200 HydrophobicContact CG-CD1 3.52Å
197N86.7Confident84.4Confident13 Ų1353 Ų537%0.0726%0.262CS..SBendtrans-152.4167.7171.659.557.6000110.3R133 L134 S136 G195 I199 L200 G201R133-N197 PolarHBondContact O-ND2 3.02Å; L134-N197 PolarHBondContact O-ND2 3.19Å; S136-N197 PolarHBondContact O-ND2 3.42Å; G195-N197 PolarHBondContact O-N 2.79Å; N197-I199 VanDerWaalsContact C-N 3.34Å; N197-I199 PolarHBondContact O-N 3.02Å; N197-I199 PolarHBondContact OD1-N 3.12Å; N197-L200 PolarHBondContact O-N 2.78Å; N197-L200 PolarHBondContact OD1-N 3.42Å; N197-G201 PolarHBondContact O-N 3.47Å
198L86.4Confident83.4Confident3 Ų353.1 Ų53.12%0.01626%0.261CS..Hα-helixtrans-58.1-40.4-176.5177.962000113.5F150 R154 F155 M188 E192 G201 I202F150-L198 HydrophobicContact CE1-CD2 4.25Å; F150-L198 HydrophobicContact CZ-CD2 4.25Å; R154-L198 HydrophobicContact CB-CB 4.42Å; R154-L198 HydrophobicContact CB-CD2 4.01Å; R154-L198 HydrophobicContact CG-CB 4.03Å; R154-L198 HydrophobicContact CG-CD2 4.16Å; F155-L198 HydrophobicContact CE2-CD2 3.65Å; F155-L198 HydrophobicContact CZ-CD2 3.74Å; M188-L198 HydrophobicContact CE-CD2 4.12Å; M188-L198 VanDerWaalsContact O-CD1 3.28Å; M188-L198 WeakPolarHBondContact O-CD1 3.44Å; E192-L198 HydrophobicContact CB-CB 4.42Å; E192-L198 HydrophobicContact CB-CD1 4.11Å; E192-L198 HydrophobicContact CG-CB 4.34Å; L198-G201 PolarHBondContact O-N 2.94Å; L198-I202 HydrophobicContact CD1-CD1 4.02Å; L198-I202 HydrophobicContact CD1-CG1 4.13Å; L198-I202 HydrophobicContact CG-CD1 3.94Å; L198-I202 HydrophobicContact CG-CG1 4.48Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 2.92Å
199I84.6Confident82.1Confident18 Ų1861 Ų619%0.09229%0.289CS..Hα-helixtrans-65.1-48.9-178.1-59.8-57000110.7I130 R133 L134 F155 N197 G201 I202 L203I130-I199 HydrophobicContact CG1-CD1 4.27Å; I130-I199 HydrophobicContact CG2-CD1 4.29Å; I130-I199 HydrophobicContact CG2-CG1 4.49Å; I130-I199 HydrophobicContact CG2-CG2 3.82Å; R133-I199 HydrophobicContact CB-CG1 4.04Å; L134-I199 HydrophobicContact CD1-CB 4.4Å; L134-I199 HydrophobicContact CD1-CG2 3.65Å; F155-I199 HydrophobicContact CE1-CD1 3.98Å; N197-I199 VanDerWaalsContact C-N 3.34Å; N197-I199 PolarHBondContact O-N 3.02Å; N197-I199 PolarHBondContact OD1-N 3.12Å; I199-G201 VanDerWaalsContact C-N 3.3Å; I199-G201 PolarHBondContact O-N 3.43Å; I199-I202 PolarHBondContact O-N 3.17Å; I199-L203 WeakPolarHBondContact O-CG 3.39Å; I199-L203 PolarHBondContact O-N 3.13Å; I199-L203 VanDerWaalsContact O-N 3.12Å
200L84.2Confident80.3Confident50 Ų5064.8 Ų64.826%0.26232%0.315SS..Hα-helixtrans-65-37.2175.4-72.5172.5000111.5L134 P196 N197 I202 L203 L204L134-L200 HydrophobicContact CD1-CD2 3.54Å; L134-L200 HydrophobicContact CD1-CG 3.79Å; L134-L200 HydrophobicContact CG-CD2 4.39Å; P196-L200 HydrophobicContact CG-CB 4.37Å; P196-L200 HydrophobicContact CG-CD1 3.52Å; N197-L200 PolarHBondContact O-N 2.78Å; N197-L200 PolarHBondContact OD1-N 3.42Å; L200-I202 PolarHBondContact O-N 3.28Å; L200-L203 HydrophobicContact CD2-CD1 4.38Å; L200-L203 PolarHBondContact O-N 3.13Å; L200-L204 WeakPolarHBondContact O-CB 3.35Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 3.13Å
201G86.6Confident78.6Confident0 Ų066.1 Ų66.10%033%0.325CS..Hα-helixtrans-58.3-44.5173.400000113.5W191 N197 L198 I199 L203 L204 S205W191-G201 CarbonylContact O-C 3.53Å; W191-G201 WeakPolarHBondContact O-CA 3.41Å; N197-G201 PolarHBondContact O-N 3.47Å; L198-G201 PolarHBondContact O-N 2.94Å; I199-G201 VanDerWaalsContact C-N 3.3Å; I199-G201 PolarHBondContact O-N 3.43Å; G201-L203 PolarHBondContact O-N 3.36Å; G201-L204 PolarHBondContact O-N 3.03Å; G201-S205 WeakPolarHBondContact O-CB 3.34Å; G201-S205 PolarHBondContact O-N 3.3Å
202I84.3Confident77.4Confident40 Ų4064.9 Ų64.921%0.20532%0.324CS..Hα-helixtrans-63-39.8174.1-69.6164000111.5W191 L198 I199 L200 S205W191-I202 HydrophobicContact CB-CG1 4.29Å; W191-I202 HydrophobicContact CD2-CG1 4.35Å; W191-I202 HydrophobicContact CE3-CD1 4.42Å; W191-I202 HydrophobicContact CE3-CG1 3.69Å; W191-I202 HydrophobicContact CZ3-CG1 4.38Å; L198-I202 HydrophobicContact CD1-CD1 4.02Å; L198-I202 HydrophobicContact CD1-CG1 4.13Å; L198-I202 HydrophobicContact CG-CD1 3.94Å; L198-I202 HydrophobicContact CG-CG1 4.48Å; L198-I202 VanDerWaalsContact O-CG1 3.26Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 2.92Å; I199-I202 PolarHBondContact O-N 3.17Å; L200-I202 PolarHBondContact O-N 3.28Å; I202-S205 PolarHBondContact O-OG 3.29Å
203L84Confident76.4Confident82 Ų8274.7 Ų74.743%0.42936%0.361SS..Hα-helixtrans-67.6-42.5178.1-69.4171.6000111.4L134 I199 L200 G201 R206L134-L203 HydrophobicContact CD1-CD1 4.37Å; I199-L203 WeakPolarHBondContact O-CG 3.39Å; I199-L203 PolarHBondContact O-N 3.13Å; I199-L203 VanDerWaalsContact O-N 3.12Å; L200-L203 HydrophobicContact CD2-CD1 4.38Å; L200-L203 PolarHBondContact O-N 3.13Å; G201-L203 PolarHBondContact O-N 3.36Å; L203-R206 PolarHBondContact O-N 2.9Å
204L83.8Confident76.1Confident69 Ų6971.8 Ų71.836%0.36135%0.349SS..Hα-helixtrans-71.4-32.4178.6-68.1169.9000112.4Y194 L200 G201 R206 I207 N208Y194-L204 WeakPolarHBondContact O-CD1 3.42Å; L200-L204 WeakPolarHBondContact O-CB 3.35Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 3.13Å; G201-L204 PolarHBondContact O-N 3.03Å; L204-R206 VanDerWaalsContact C-N 3.25Å; L204-R206 PolarHBondContact O-N 2.99Å; L204-I207 WeakPolarHBondContact O-CB 3.47Å; L204-I207 PolarHBondContact O-N 3.22Å; L204-I207 VanDerWaalsContact O-N 3.09Å; L204-N208 PolarHBondContact O-N 3.39Å; L204-N208 VanDerWaalsContact O-N 3.17Å
205S79.6Confident76.1Confident9 Ų974.1 Ų74.16%0.06337%0.369CS..Hα-helixtrans-65.8-27.3177.374.70000113W191 G201 I202 I207 N208 R209W191-S205 VanDerWaalsContact CD1-CB 3.42Å; G201-S205 WeakPolarHBondContact O-CB 3.34Å; G201-S205 PolarHBondContact O-N 3.3Å; I202-S205 PolarHBondContact O-OG 3.29Å; S205-I207 PolarHBondContact O-N 3.14Å; S205-N208 CarbonylContact O-C 3.32Å; S205-N208 PolarHBondContact O-N 2.62Å; S205-R209 PolarHBondContact O-N 3.04Å
206R76.2Confident76.3Confident164 Ų16475.1 Ų75.162%0.61937%0.37SS*.THydrogen-bonded Turntrans-63.1-29.6173.4-68.5176.9-178.8-172.50.1112.6L203 L204L203-R206 PolarHBondContact O-N 2.9Å; L204-R206 VanDerWaalsContact C-N 3.25Å; L204-R206 PolarHBondContact O-N 2.99Å
207I75Confident76.6Confident136 Ų13672.5 Ų72.570%0.69735%0.353SS*.THydrogen-bonded Turntrans-79.7-40.8175.2-56.1173.1000109.6L204 S205 R209L204-I207 WeakPolarHBondContact O-CB 3.47Å; L204-I207 PolarHBondContact O-N 3.22Å; L204-I207 VanDerWaalsContact O-N 3.09Å; S205-I207 PolarHBondContact O-N 3.14Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 2.79Å
208N67Low76.8Confident70 Ų7077.3 Ų77.337%0.37438%0.379SS..SBendtrans-91.929.3-175.3-67.4-26.3000114.6L204 S205 S210 L211L204-N208 PolarHBondContact O-N 3.39Å; L204-N208 VanDerWaalsContact O-N 3.17Å; S205-N208 CarbonylContact O-C 3.32Å; S205-N208 PolarHBondContact O-N 2.62Å; N208-S210 PolarHBondContact O-N 3.4Å; N208-L211 HydrophobicContact CB-CD1 4.23Å; N208-L211 PolarHBondContact O-N 3.37Å; N208-L211 VanDerWaalsContact O-N 3.13Å
209R61Low77Confident202 Ų20280.1 Ų80.176%0.76239%0.393SS*.G310 helixtrans-59.4-16.6-168.2-144.5178.8118.9-1711.6115S205 I207 L211S205-R209 PolarHBondContact O-N 3.04Å; I207-R209 VanDerWaalsContact C-N 3.33Å; I207-R209 PolarHBondContact O-N 2.79Å; R209-L211 PolarHBondContact O-N 2.61Å
210S52.7Low77.5Confident92 Ų9279.3 Ų79.364%0.64339%0.389SS*.G310 helixtrans-64.7-26.4177.457.10000113.2N208 D212N208-S210 PolarHBondContact O-N 3.4Å; S210-D212 PolarHBondContact O-N 3.4Å
211L51.4Low77.9Confident94 Ų9479.3 Ų79.349%0.49239%0.389SS..G310 helixtrans-79.7-11.4-172.2-66.7172.6000114.9K190 Y194 N208 R209K190-L211 PolarHBondContact NZ-O 3.28Å; Y194-L211 HydrophobicContact CE1-CD1 3.72Å; Y194-L211 WeakPolarHBondContact OH-CB 3.25Å; N208-L211 HydrophobicContact CB-CD1 4.23Å; N208-L211 PolarHBondContact O-N 3.37Å; N208-L211 VanDerWaalsContact O-N 3.13Å; R209-L211 PolarHBondContact O-N 2.61Å
212D62.2Low78.2Confident43 Ų4385.5 Ų85.523%0.2342%0.422CS..G310 helixtrans-93.75.6-179.4-77.7-15.2000113.5K190 W191 S210 I214K190-D212 WeakPolarHBondContact CE-OD1 3.49Å; K190-D212 IonicContact NZ-OD1 3.04Å; K190-D212 PolarHBondContact NZ-OD1 3.36Å; W191-D212 PolarHBondContact NE1-OD2 2.85Å; S210-D212 PolarHBondContact O-N 3.4Å; D212-I214 PolarHBondContact O-N 3.44Å
213R66.9Low78.7Confident208 Ų20889.4 Ų89.479%0.78544%0.437SS*.PPolyproline II helixtrans-77.7118.7175-68.3-173.8179.9-168.50.6109.7
214I76Confident79.3Confident60 Ų6085.9 Ų85.931%0.30842%0.419SS..PPolyproline II helixtrans-68141164.4-75.8172.6000108.6A70 T71 D212 Y496A70-I214 HydrophobicContact CB-CB 4.47Å; A70-I214 HydrophobicContact CB-CD1 3.52Å; A70-I214 HydrophobicContact CB-CG1 3.85Å; T71-I214 HydrophobicContact CG2-CD1 3.37Å; D212-I214 PolarHBondContact O-N 3.44Å; I214-Y496 HydrophobicContact CD1-CE1 4.39Å; I214-Y496 HydrophobicContact CG2-CD2 3.74Å; I214-Y496 HydrophobicContact CG2-CE1 3.95Å; I214-Y496 HydrophobicContact CG2-CE2 3.04Å; I214-Y496 HydrophobicContact CG2-CG 4.43Å; I214-Y496 VanDerWaalsContact CG2-OH 3.31Å; I214-Y496 WeakPolarHBondContact CG2-OH 3.36Å
215V83.7Confident79.9Confident107 Ų10784.7 Ų84.765%0.64842%0.415SS*.PPolyproline II helixtrans-91117.6175.4-179.20000108.1
216I87.2Confident80.6Confident35 Ų3589.7 Ų89.718%0.17944%0.438CS..PPolyproline II helixtrans-75.1130.4168.3-59.9172000106.6L74 N218 I220 D221L74-I216 HydrophobicContact CB-CD1 4.03Å; L74-I216 HydrophobicContact CD1-CD1 4.23Å; L74-I216 HydrophobicContact CD1-CG2 4.18Å; I216-N218 PolarHBondContact O-N 3.09Å; I216-I220 HydrophobicContact CG2-CB 4.38Å; I216-I220 HydrophobicContact CG2-CG2 4.18Å; I216-D221 HydrophobicContact CB-CB 4.41Å; I216-D221 HydrophobicContact CG2-CB 4.08Å
217P89.7Confident81.3Confident27 Ų2783.4 Ų83.418%0.17542%0.416CS..PPolyproline II helixtrans-54.6127.8176.9-26.634.8000111.7M219 I220 D221 A503P217-M219 PolarHBondContact O-N 2.82Å; P217-I220 PolarHBondContact O-N 3.18Å; P217-D221 PolarHBondContact O-N 3.02Å; P217-A503 HydrophobicContact CB-CB 3.32Å; P217-A503 HydrophobicContact CG-CB 3.42Å; P217-A503 VanDerWaalsContact CG-CB 3.42Å
218N90.5Very high81.8Confident114 Ų11483.1 Ų83.161%0.6142%0.416SS*.Hα-helixtrans-50-40.1-171.4-67.4-6.1000113.1I216 I220 D221 D222I216-N218 PolarHBondContact O-N 3.09Å; N218-I220 PolarHBondContact O-N 2.97Å; N218-D221 CarbonylContact O-C 3.58Å; N218-D221 PolarHBondContact O-N 2.89Å; N218-D221 VanDerWaalsContact O-N 3.09Å; N218-D222 WeakPolarHBondContact O-CB 3.49Å; N218-D222 VanDerWaalsContact O-CG 3.23Å; N218-D222 PolarHBondContact O-N 3.03Å
219M90.9Very high82.7Confident63 Ų6387.7 Ų87.731%0.3144%0.441SS..Hα-helixtrans-64.4-23.9-178.774.8-174.4-36.500115.1P217 K223 A503 F506P217-M219 PolarHBondContact O-N 2.82Å; M219-K223 VanDerWaalsContact O-CG 3.28Å; M219-K223 WeakPolarHBondContact O-CG 3.35Å; M219-A503 HydrophobicContact SD-CB 4.31Å; M219-F506 HydrophobicContact CE-CB 3.39Å; M219-F506 HydrophobicContact CE-CD1 3.33Å; M219-F506 HydrophobicContact CE-CD2 4.12Å; M219-F506 HydrophobicContact CE-CE1 3.93Å; M219-F506 HydrophobicContact CE-CG 3.37Å; M219-F506 HydrophobicContact SD-CB 3.48Å; M219-F506 WeakPolarHBondContact SD-CB 3.38Å; M219-F506 HydrophobicContact SD-CD1 4.43Å; M219-F506 HydrophobicContact SD-CD2 4.29Å; M219-F506 HydrophobicContact SD-CG 3.87Å
220I94.1Very high84.2Confident1 Ų179.9 Ų79.91%0.00541%0.414CS..Hα-helixtrans-90.7-39.4172.6-67.9167.7000109L21 T25 L74 I216 P217 N218 D222 K223 L224 A499 V502L21-I220 HydrophobicContact CD1-CD1 4.33Å; L21-I220 HydrophobicContact CD2-CG2 3.81Å; T25-I220 HydrophobicContact CG2-CG1 4.12Å; L74-I220 HydrophobicContact CD1-CG2 4.18Å; I216-I220 HydrophobicContact CG2-CB 4.38Å; I216-I220 HydrophobicContact CG2-CG2 4.18Å; P217-I220 PolarHBondContact O-N 3.18Å; N218-I220 PolarHBondContact O-N 2.97Å; I220-D222 VanDerWaalsContact C-N 3.29Å; I220-D222 PolarHBondContact O-N 3.04Å; I220-K223 PolarHBondContact O-N 2.96Å; I220-K223 VanDerWaalsContact O-N 3.14Å; I220-L224 HydrophobicContact CG2-CD1 3.8Å; I220-L224 PolarHBondContact O-N 3Å; I220-A499 HydrophobicContact CD1-CB 3.6Å; I220-A499 WeakPolarHBondContact CD1-O 3.44Å; I220-V502 HydrophobicContact CD1-CB 4.34Å; I220-V502 HydrophobicContact CD1-CG1 4.38Å
221D92.9Very high86.2Confident49 Ų4977.5 Ų77.526%0.26239%0.393SS..Hα-helixtrans-56.6-42.7177.2-162.737.4000111.7R77 I216 P217 N218 K223R77-D221 IonicContact CZ-OD1 2.85Å; R77-D221 IonicContact NH1-OD1 2.72Å; R77-D221 PolarHBondContact NH1-OD1 3.4Å; R77-D221 PolarHBondContact NH2-O 3.21Å; R77-D221 IonicContact NH2-OD1 3.62Å; R77-D221 PolarHBondContact NH2-OD1 3.08Å; I216-D221 HydrophobicContact CB-CB 4.41Å; I216-D221 HydrophobicContact CG2-CB 4.08Å; P217-D221 PolarHBondContact O-N 3.02Å; N218-D221 CarbonylContact O-C 3.58Å; N218-D221 PolarHBondContact O-N 2.89Å; N218-D221 VanDerWaalsContact O-N 3.09Å; D221-K223 PolarHBondContact O-N 2.85Å
222D93.7Very high88.2Confident130 Ų13074.1 Ų74.170%0.69538%0.377SS*.THydrogen-bonded Turntrans-70.1-17.4-179-66-25.8000113.7N218 I220N218-D222 WeakPolarHBondContact O-CB 3.49Å; N218-D222 VanDerWaalsContact O-CG 3.23Å; N218-D222 PolarHBondContact O-N 3.03Å; I220-D222 VanDerWaalsContact C-N 3.29Å; I220-D222 PolarHBondContact O-N 3.04Å
223K94.8Very high89.7Confident122 Ų12277.2 Ų77.253%0.5340%0.402SS..THydrogen-bonded Turntrans-96.7-16.2-175.7-61.8-60.9-175.6-173.90114.1L24 T25 M219 I220 D221L24-K223 HydrophobicContact CB-CB 4.18Å; T25-K223 HydrophobicContact CG2-CG 4.46Å; M219-K223 VanDerWaalsContact O-CG 3.28Å; M219-K223 WeakPolarHBondContact O-CG 3.35Å; I220-K223 PolarHBondContact O-N 2.96Å; I220-K223 VanDerWaalsContact O-N 3.14Å; D221-K223 PolarHBondContact O-N 2.85Å
224L96.5Very high91Very high9 Ų969 Ų695%0.04737%0.374CS..SBendtrans-104.4143.9-175-72.9174.3000111.2Y20 L21 L24 L74 R77 I78 I220Y20-L224 HydrophobicContact CE1-CD2 4.28Å; L21-L224 HydrophobicContact CD2-CD1 4.35Å; L24-L224 HydrophobicContact CD1-CD2 3.62Å; L24-L224 HydrophobicContact CD1-CG 4.29Å; L74-L224 HydrophobicContact CD1-CD1 3.48Å; L74-L224 VanDerWaalsContact CD1-CD1 3.48Å; R77-L224 HydrophobicContact CB-CB 4.15Å; R77-L224 HydrophobicContact CB-CD1 4.37Å; R77-L224 PolarHBondContact NH2-O 3.27Å; I78-L224 HydrophobicContact CG1-CD1 4.2Å; I78-L224 HydrophobicContact CG1-CD2 4.22Å; I220-L224 HydrophobicContact CG2-CD1 3.8Å; I220-L224 PolarHBondContact O-N 3Å
225P95.8Very high91.9Very high44 Ų4466.2 Ų66.229%0.28636%0.36SS..  trans-64.8151.3-178.128.9-36.1000111.5R77 K80R77-P225 VanDerWaalsContact CG-O 3.31Å; R77-P225 WeakPolarHBondContact CG-O 3.45Å; R77-P225 PolarHBondContact NE-O 3Å; K80-P225 HydrophobicContact CB-CG 3.95Å; K80-P225 HydrophobicContact CD-CB 4.01Å; K80-P225 HydrophobicContact CD-CG 3.98Å; K80-P225 HydrophobicContact CG-CB 4.36Å; K80-P225 HydrophobicContact CG-CG 3.9Å
226Q94.1Very high92.4Very high113 Ų11363.8 Ų63.853%0.52834%0.342SS..  trans-74145.1171.7-64.1-60.6-24.100110.5K80K80-Q226 WeakPolarHBondContact CD-O 3.32Å; K80-Q226 WeakPolarHBondContact CE-O 3.35Å; K80-Q226 PolarHBondContact NZ-O 2.88Å
227L91.2Very high92.8Very high32 Ų3262.5 Ų62.517%0.16834%0.337CS..  trans-72.9-33.7-173.9-67.5-178.4000114M76 R77 K80 L230 I231M76-L227 HydrophobicContact CB-CD1 4.06Å; M76-L227 HydrophobicContact CB-CD2 3.89Å; M76-L227 HydrophobicContact CG-CD1 4.07Å; M76-L227 HydrophobicContact CG-CD2 3.52Å; M76-L227 HydrophobicContact CG-CG 4.45Å; R77-L227 HydrophobicContact CB-CD2 4.29Å; R77-L227 HydrophobicContact CG-CD1 4.24Å; R77-L227 HydrophobicContact CG-CD2 3.48Å; R77-L227 VanDerWaalsContact CG-CD2 3.48Å; R77-L227 HydrophobicContact CG-CG 3.63Å; K80-L227 HydrophobicContact CD-CD2 4.46Å; K80-L227 PolarHBondContact NZ-O 3.04Å; L227-L230 HydrophobicContact CD2-CD2 4.15Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-L230 VanDerWaalsContact O-N 3.15Å; L227-I231 HydrophobicContact CD1-CD1 3.84Å; L227-I231 HydrophobicContact CD1-CG1 4.39Å
228N85.6Confident93.2Very high130 Ų13061.2 Ų61.270%0.69533%0.328SS*.THydrogen-bonded Turntrans37.777.1177.6-61.9-7.8000114.1L230N228-L230 PolarHBondContact O-N 2.83Å; N228-L230 VanDerWaalsContact O-N 3.08Å
229N86.5Confident93.5Very high167 Ų16755.8 Ų55.889%0.89330%0.299SS*.THydrogen-bonded Turntrans59.511.7179.1-60.8-25000116.6I231N229-I231 VanDerWaalsContact C-N 3.31Å; N229-I231 PolarHBondContact O-N 2.83Å
230L92.2Very high93.9Very high37 Ų3752.8 Ų52.819%0.19428%0.284CS..  trans-59.3-37.8178-179.961.8000113.4M76 K80 E85 L88 W90 L227 N228 P232M76-L230 HydrophobicContact CG-CD2 3.89Å; M76-L230 HydrophobicContact SD-CD2 3.81Å; M76-L230 HydrophobicContact SD-CG 4.32Å; K80-L230 HydrophobicContact CB-CD2 4.18Å; K80-L230 HydrophobicContact CD-CD2 4.24Å; K80-L230 HydrophobicContact CG-CD2 4.3Å; E85-L230 HydrophobicContact CB-CD1 3.95Å; E85-L230 HydrophobicContact CG-CD1 3.85Å; E85-L230 HydrophobicContact CG-CD2 3.86Å; L88-L230 HydrophobicContact CD1-CD1 4.06Å; L88-L230 HydrophobicContact CD1-CD2 4.32Å; L88-L230 HydrophobicContact CD1-CG 4.28Å; W90-L230 WeakPolarHBondContact CZ2-O 3.31Å; L227-L230 HydrophobicContact CD2-CD2 4.15Å; L227-L230 WeakPolarHBondContact O-CB 3.46Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-L230 VanDerWaalsContact O-N 3.15Å; N228-L230 PolarHBondContact O-N 2.83Å; N228-L230 VanDerWaalsContact O-N 3.08Å; L230-P232 WeakPolarHBondContact O-CD 3.44Å
231I93.6Very high94Very high42 Ų4255.6 Ų55.622%0.21530%0.304CS..SBendtrans-88.7116-179.1-54.5178000109.2A67 M76 W90 L227 N229 A235A67-I231 HydrophobicContact CB-CG2 4.25Å; M76-I231 HydrophobicContact CB-CD1 4.19Å; M76-I231 HydrophobicContact CE-CG1 4.42Å; M76-I231 HydrophobicContact CG-CD1 3.93Å; M76-I231 HydrophobicContact CG-CG1 3.85Å; W90-I231 HydrophobicContact CH2-CB 4.3Å; W90-I231 HydrophobicContact CH2-CG1 4.11Å; W90-I231 HydrophobicContact CH2-CG2 4.24Å; W90-I231 HydrophobicContact CZ3-CG2 4.15Å; L227-I231 HydrophobicContact CD1-CD1 3.84Å; L227-I231 HydrophobicContact CD1-CG1 4.39Å; N229-I231 VanDerWaalsContact C-N 3.31Å; N229-I231 PolarHBondContact O-N 2.83Å; I231-A235 HydrophobicContact CG2-CB 4.16Å
232P94.9Very high94.2Very high24 Ų2454.9 Ų54.916%0.15631%0.308CS..  trans-58.1144174.9-24.134.4000112.5W90 L230 D234 A235W90-P232 HydrophobicContact CD2-CG 4.05Å; W90-P232 HydrophobicContact CG-CG 4.16Å; W90-P232 HydrophobicContact CZ2-CG 4.48Å; L230-P232 WeakPolarHBondContact O-CD 3.44Å; P232-D234 VanDerWaalsContact CB-OD1 3.26Å; P232-D234 WeakPolarHBondContact CB-OD1 3.36Å; P232-D234 PolarHBondContact O-N 2.66Å; P232-D234 VanDerWaalsContact O-N 3.12Å; P232-A235 HydrophobicContact CB-CB 4.15Å; P232-A235 HydrophobicContact CG-CB 4.4Å; P232-A235 WeakPolarHBondContact O-CB 3.11Å; P232-A235 PolarHBondContact O-N 2.91Å
233S92.2Very high94.4Very high107 Ų10748.7 Ų48.775%0.74828%0.275SS*.THydrogen-bonded Turntrans-65.2-16.7-177.158.70000114.1K68K68-S233 PolarHBondContact NZ-O 2.74Å
234D94.2Very high94.6Very high37 Ų3743 Ų4320%0.19825%0.251CS..THydrogen-bonded Turntrans-107.63.4178.161.1-15.9000112.5R92 Q93 P232R92-D234 CarbonylContact C-O 3.57Å; R92-D234 WeakPolarHBondContact CA-O 3.39Å; R92-D234 IonicContact CZ-OD1 3.06Å; R92-D234 IonicContact CZ-OD2 3.18Å; R92-D234 VanDerWaalsContact NE-CG 3.33Å; R92-D234 IonicContact NE-OD1 3.22Å; R92-D234 PolarHBondContact NE-OD1 2.9Å; R92-D234 IonicContact NE-OD2 2.77Å; R92-D234 PolarHBondContact NE-OD2 3.49Å; R92-D234 IonicContact NH1-OD1 3.9Å; R92-D234 IonicContact NH2-OD1 2.75Å; R92-D234 PolarHBondContact NH2-OD1 3.03Å; R92-D234 IonicContact NH2-OD2 2.83Å; R92-D234 PolarHBondContact NH2-OD2 3.38Å; Q93-D234 HydrophobicContact CB-CB 4.22Å; Q93-D234 WeakPolarHBondContact CG-O 3.29Å; Q93-D234 PolarHBondContact N-O 3Å; P232-D234 VanDerWaalsContact CB-OD1 3.26Å; P232-D234 WeakPolarHBondContact CB-OD1 3.36Å; P232-D234 PolarHBondContact O-N 2.66Å; P232-D234 VanDerWaalsContact O-N 3.12Å
235A95.6Very high94.7Very high1 Ų144.1 Ų44.11%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-68.3135.8177.500000111.9A67 K68 W90 I231 P232A67-A235 HydrophobicContact CB-CB 3.75Å; K68-A235 WeakPolarHBondContact CE-O 3.22Å; W90-A235 HydrophobicContact CD2-CB 4.41Å; W90-A235 HydrophobicContact CE3-CB 3.65Å; W90-A235 HydrophobicContact CZ3-CB 4.07Å; I231-A235 HydrophobicContact CG2-CB 4.16Å; P232-A235 HydrophobicContact CB-CB 4.15Å; P232-A235 HydrophobicContact CG-CB 4.4Å; P232-A235 WeakPolarHBondContact O-CB 3.11Å; P232-A235 PolarHBondContact O-N 2.91Å
236I93.6Very high94.8Very high56 Ų5643.5 Ų43.529%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-106.6-51177.7-58.9171.1000109.9A67 M91 Q93 A98A67-I236 WeakPolarHBondContact CB-O 3.36Å; A67-I236 PolarHBondContact N-O 3.25Å; M91-I236 PolarHBondContact O-N 2.71Å; M91-I236 HydrophobicContact SD-CB 4.4Å; M91-I236 HydrophobicContact SD-CG2 4.4Å; Q93-I236 HydrophobicContact CB-CD1 4.4Å; Q93-I236 HydrophobicContact CG-CD1 3.7Å; Q93-I236 HydrophobicContact CG-CG1 3.64Å; A98-I236 HydrophobicContact CB-CD1 3.39Å
237A96.4Very high95Very high7 Ų738.3 Ų38.36%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-145.1168.5-178.600000110.1A65 M91 F377A65-A237 CarbonylContact O-C 3.56Å; A65-A237 WeakPolarHBondContact O-CA 3.49Å; A65-A237 WeakPolarHBondContact O-CB 3.41Å; M91-A237 HydrophobicContact CB-CB 4.27Å; M91-A237 HydrophobicContact CE-CB 4.45Å; M91-A237 PolarHBondContact N-O 3.13Å; M91-A237 HydrophobicContact SD-CB 4.04Å; A237-F377 HydrophobicContact CB-CZ 4.42Å
238W97.6Very high95.4Very high0 Ų036.8 Ų36.80%022%0.219CC..EExtended strand (participates in β ladder)trans-149.9157.3178.261.4-86.2000112S64 A65 L75 M76 V79 L88 V89 W90 L240 L244S64-W238 CarbonylContact C-O 3.41Å; S64-W238 WeakPolarHBondContact CA-O 3.49Å; S64-W238 VanDerWaalsContact CB-O 3.26Å; S64-W238 WeakPolarHBondContact CB-O 3.17Å; A65-W238 HydrophobicContact CB-CD2 4.11Å; A65-W238 VanDerWaalsContact CB-CE2 3.46Å; A65-W238 HydrophobicContact CB-CH2 4.09Å; A65-W238 HydrophobicContact CB-CZ2 3.46Å; A65-W238 VanDerWaalsContact CB-CZ2 3.46Å; A65-W238 PolarHBondContact N-O 3.26Å; A65-W238 PolarHBondContact O-N 2.93Å; L75-W238 HydrophobicContact CD2-CH2 3.95Å; L75-W238 HydrophobicContact CD2-CZ2 3.6Å; L75-W238 HydrophobicContact CG-CH2 4.03Å; L75-W238 HydrophobicContact CG-CZ2 3.75Å; M76-W238 HydrophobicContact CE-CD2 3.81Å; M76-W238 VanDerWaalsContact CE-CE2 3.42Å; M76-W238 HydrophobicContact CE-CG 3.94Å; M76-W238 HydrophobicContact CE-CZ2 3.96Å; M76-W238 VanDerWaalsContact CE-NE1 3.31Å; V79-W238 HydrophobicContact CG2-CH2 3.5Å; V79-W238 HydrophobicContact CG2-CZ2 4.22Å; V79-W238 HydrophobicContact CG2-CZ3 4Å; L88-W238 HydrophobicContact CD2-CB 4.48Å; L88-W238 HydrophobicContact CD2-CD2 3.93Å; L88-W238 HydrophobicContact CD2-CE3 3.47Å; L88-W238 VanDerWaalsContact CD2-CE3 3.47Å; L88-W238 HydrophobicContact CD2-CG 4.37Å; L88-W238 HydrophobicContact CD2-CZ3 4.06Å; V89-W238 CarbonylContact O-C 3.52Å; V89-W238 WeakPolarHBondContact O-CA 3.35Å; V89-W238 WeakPolarHBondContact O-CB 3.37Å; W90-W238 HydrophobicContact CD2-CB 4.38Å; W90-W238 HydrophobicContact CE3-CB 3.64Å; W90-W238 HydrophobicContact CE3-CG 4.34Å; W90-W238 HydrophobicContact CZ3-CB 3.78Å; W90-W238 AromaticContact CZ3-CD1 3.91Å; W90-W238 AromaticContact CZ3-CG 3.97Å; W90-W238 HydrophobicContact CZ3-CG 3.97Å; W238-L240 HydrophobicContact CZ3-CD2 4.45Å; W238-L240 HydrophobicContact CZ3-CG 4.34Å; W238-L244 HydrophobicContact CZ3-CD2 4.24Å
239T98.1Very high96Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-137.9-175.3167.6-171.90000108.7E59 V89 F377 L380E59-T239 PolarHBondContact OE1-OG1 2.92Å; V89-T239 HydrophobicContact CB-CG2 3.94Å; V89-T239 HydrophobicContact CG1-CG2 4.35Å; V89-T239 PolarHBondContact N-O 2.88Å; V89-T239 PolarHBondContact O-N 3.05Å; T239-F377 HydrophobicContact CG2-CB 4.33Å; T239-F377 HydrophobicContact CG2-CD1 3.53Å; T239-F377 HydrophobicContact CG2-CD2 4.19Å; T239-F377 HydrophobicContact CG2-CE1 3.77Å; T239-F377 HydrophobicContact CG2-CE2 4.42Å; T239-F377 HydrophobicContact CG2-CG 3.75Å; T239-F377 HydrophobicContact CG2-CZ 4.2Å; T239-L380 HydrophobicContact CG2-CD1 3.93Å; T239-L380 HydrophobicContact CG2-CG 4.44Å
240L98.5Very high96.6Very high0 Ų028.2 Ų28.20%017%0.174CC..EExtended strand (participates in β ladder)trans-108152.5173.6-62.2169.5000110.1L84 S87 L88 W238 G242 G243 T246 L247 L380L84-L240 HydrophobicContact CB-CD2 4.24Å; L84-L240 HydrophobicContact CD1-CD1 4.07Å; S87-L240 CarbonylContact O-C 3.44Å; S87-L240 VanDerWaalsContact O-CA 3.27Å; S87-L240 WeakPolarHBondContact O-CA 3.2Å; L88-L240 HydrophobicContact CD2-CD2 4.12Å; L88-L240 HydrophobicContact CG-CD2 4.43Å; W238-L240 HydrophobicContact CZ3-CD2 4.45Å; W238-L240 HydrophobicContact CZ3-CG 4.34Å; L240-G242 PolarHBondContact O-N 3.02Å; L240-G242 VanDerWaalsContact O-N 3.16Å; L240-G243 WeakPolarHBondContact O-CA 3.39Å; L240-G243 PolarHBondContact O-N 3.46Å; L240-T246 HydrophobicContact CD1-CG2 4.16Å; L240-L247 HydrophobicContact CD1-CB 3.87Å; L240-L380 WeakPolarHBondContact O-CD2 3.48Å
241S96.9Very high96.9Very high60 Ų6026.4 Ų26.442%0.4217%0.165SC..THydrogen-bonded Turntrans-62.6-21.2-177.655.80000114.3I57 S87I57-S241 WeakPolarHBondContact CD1-O 3.16Å; S87-S241 PolarHBondContact O-N 2.94Å
242G96.6Very high97.1Very high34 Ų3425.4 Ų25.435%0.35116%0.161SC..THydrogen-bonded Turntrans-9813.3171.200000113.8L240 T246L240-G242 PolarHBondContact O-N 3.02Å; L240-G242 VanDerWaalsContact O-N 3.16Å; G242-T246 VanDerWaalsContact C-OG1 3.22Å; G242-T246 VanDerWaalsContact CA-OG1 3.27Å; G242-T246 WeakPolarHBondContact CA-OG1 3.45Å; G242-T246 PolarHBondContact O-OG1 3.11Å
243G98Very high97.3Very high0 Ų027.1 Ų27.10%017%0.168CC..  trans79.6165.4-168.700000113.2S48 E59 L240 E245 T246S48-G243 WeakPolarHBondContact OG-CA 3.31Å; E59-G243 WeakPolarHBondContact OE1-CA 3.31Å; L240-G243 WeakPolarHBondContact O-CA 3.39Å; L240-G243 PolarHBondContact O-N 3.46Å; G243-E245 PolarHBondContact O-N 3.35Å; G243-T246 WeakPolarHBondContact O-CB 3.29Å; G243-T246 PolarHBondContact O-N 2.85Å; G243-T246 PolarHBondContact O-OG1 3.12Å; G243-T246 VanDerWaalsContact O-OG1 3.07Å
244L98.4Very high97.6Very high2 Ų224 Ų241%0.0114%0.142CC..THydrogen-bonded Turntrans-62.3-24.5-178.5-73.4177.1000113.2I46 S48 E59 P62 W238 T246 L247 L491I46-L244 HydrophobicContact CG2-CB 3.78Å; S48-L244 PolarHBondContact OG-N 3.46Å; E59-L244 PolarHBondContact OE1-N 2.87Å; P62-L244 HydrophobicContact CB-CD1 4.21Å; P62-L244 HydrophobicContact CG-CD1 4.13Å; P62-L244 WeakPolarHBondContact O-CD1 3.31Å; W238-L244 HydrophobicContact CZ3-CD2 4.24Å; L244-T246 PolarHBondContact O-N 2.8Å; L244-L247 VanDerWaalsContact O-CB 3.31Å; L244-L247 WeakPolarHBondContact O-CB 3.16Å; L244-L247 PolarHBondContact O-N 3.26Å; L244-L491 HydrophobicContact CD1-CD1 3.85Å
245E98.2Very high97.7Very high34 Ų3422.2 Ų22.216%0.15913%0.133CC..Hα-helixtrans-60.5-25.2173.3-172.4162.6-168.100112.4R41 I46 Q47 S48 G243 L247 I248 D249R41-E245 IonicContact CZ-OE1 3.22Å; R41-E245 IonicContact NE-OE1 3.89Å; R41-E245 IonicContact NH2-OE1 2.83Å; R41-E245 PolarHBondContact NH2-OE1 3.2Å; R41-E245 IonicContact NH2-OE2 2.74Å; R41-E245 PolarHBondContact NH2-OE2 2.67Å; I46-E245 HydrophobicContact CG2-CB 4.34Å; Q47-E245 VanDerWaalsContact CA-OE2 3.3Å; Q47-E245 WeakPolarHBondContact CA-OE2 3.4Å; S48-E245 PolarHBondContact N-OE2 3.21Å; S48-E245 WeakPolarHBondContact OG-CB 3.37Å; S48-E245 PolarHBondContact OG-N 3.46Å; S48-E245 VanDerWaalsContact OG-N 3.08Å; G243-E245 PolarHBondContact O-N 3.35Å; E245-L247 PolarHBondContact O-N 3.43Å; E245-L247 VanDerWaalsContact O-N 3.12Å; E245-I248 WeakPolarHBondContact O-CA 3.42Å; E245-I248 VanDerWaalsContact O-CB 3.3Å; E245-I248 WeakPolarHBondContact O-CB 3.45Å; E245-I248 PolarHBondContact O-N 3.47Å; E245-D249 PolarHBondContact O-N 3.03Å
246T98.5Very high97.8Very high31 Ų3125.2 Ų25.219%0.1915%0.153CC..Hα-helixtrans-54.9-34.9172.1-60.40000112.1L84 L240 G242 G243 L244 I248 T250L84-T246 HydrophobicContact CD2-CG2 4.04Å; L240-T246 HydrophobicContact CD1-CG2 4.16Å; G242-T246 VanDerWaalsContact C-OG1 3.22Å; G242-T246 VanDerWaalsContact CA-OG1 3.27Å; G242-T246 WeakPolarHBondContact CA-OG1 3.45Å; G242-T246 PolarHBondContact O-OG1 3.11Å; G243-T246 WeakPolarHBondContact O-CB 3.29Å; G243-T246 PolarHBondContact O-N 2.85Å; G243-T246 PolarHBondContact O-OG1 3.12Å; G243-T246 VanDerWaalsContact O-OG1 3.07Å; L244-T246 PolarHBondContact O-N 2.8Å; T246-I248 VanDerWaalsContact C-N 3.35Å; T246-T250 VanDerWaalsContact O-CB 3.3Å; T246-T250 WeakPolarHBondContact O-CB 3.2Å; T246-T250 PolarHBondContact O-N 3.09Å; T246-T250 PolarHBondContact O-OG1 2.97Å
247L98.7Very high97.9Very high3 Ų330.2 Ų30.22%0.01617%0.169CC..Hα-helixtrans-64.8-41.7175.7176.561.6000111.3L13 L75 V79 L82 L84 L240 L244 E245 I251L13-L247 HydrophobicContact CD1-CD2 3.95Å; L75-L247 HydrophobicContact CD1-CD2 3.86Å; V79-L247 HydrophobicContact CG2-CD1 4.32Å; L82-L247 HydrophobicContact CD1-CD1 3.75Å; L84-L247 HydrophobicContact CD1-CD1 3.88Å; L240-L247 HydrophobicContact CD1-CB 3.87Å; L244-L247 VanDerWaalsContact O-CB 3.31Å; L244-L247 WeakPolarHBondContact O-CB 3.16Å; L244-L247 PolarHBondContact O-N 3.26Å; E245-L247 PolarHBondContact O-N 3.43Å; E245-L247 VanDerWaalsContact O-N 3.12Å; L247-I251 HydrophobicContact CD1-CD1 4.03Å; L247-I251 HydrophobicContact CD1-CG1 4.36Å; L247-I251 HydrophobicContact CG-CD1 4.02Å; L247-I251 VanDerWaalsContact O-CG1 3.28Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 2.8Å
248I98.7Very high97.8Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-64.5-52.7-179.8-60.6-52.2000109.7L13 L16 W42 G43 I46 E245 T246 T250 I251 V252L13-I248 HydrophobicContact CB-CD1 4.35Å; L13-I248 HydrophobicContact CD1-CD1 3.98Å; L16-I248 HydrophobicContact CD1-CD1 4.14Å; L16-I248 HydrophobicContact CD1-CG2 3.68Å; W42-I248 HydrophobicContact CB-CG2 3.64Å; G43-I248 VanDerWaalsContact CA-CG2 3.42Å; I46-I248 HydrophobicContact CB-CG1 4.11Å; I46-I248 HydrophobicContact CD1-CD1 4.01Å; I46-I248 HydrophobicContact CD1-CG1 4.36Å; I46-I248 HydrophobicContact CG2-CG1 3.86Å; E245-I248 WeakPolarHBondContact O-CA 3.42Å; E245-I248 VanDerWaalsContact O-CB 3.3Å; E245-I248 WeakPolarHBondContact O-CB 3.45Å; E245-I248 PolarHBondContact O-N 3.47Å; T246-I248 VanDerWaalsContact C-N 3.35Å; I248-T250 VanDerWaalsContact C-N 3.26Å; I248-T250 PolarHBondContact O-N 2.81Å; I248-I251 PolarHBondContact O-N 2.67Å; I248-I251 VanDerWaalsContact O-N 3.12Å; I248-V252 WeakPolarHBondContact O-CG2 3.43Å; I248-V252 PolarHBondContact O-N 2.76Å
249D98.5Very high97.6Very high87 Ų8737.4 Ų37.447%0.46520%0.199SC..Hα-helixtrans-56.5-44.4179.3-66.7-24.7000110.8E245 I251 V252 D253E245-D249 PolarHBondContact O-N 3.03Å; D249-I251 PolarHBondContact O-N 3.08Å; D249-V252 PolarHBondContact O-N 2.76Å; D249-D253 WeakPolarHBondContact O-CB 3.22Å; D249-D253 PolarHBondContact O-N 3.39Å
250T98.7Very high97.2Very high30 Ų3042.6 Ų42.618%0.18423%0.233CC..Hα-helixtrans-65.8-36.8179.8-53.70000112.5L82 L84 T246 I248 H254L82-T250 HydrophobicContact CB-CG2 3.95Å; L82-T250 HydrophobicContact CD2-CG2 4.33Å; L84-T250 HydrophobicContact CD1-CG2 4.14Å; L84-T250 HydrophobicContact CD2-CG2 4.29Å; L84-T250 HydrophobicContact CG-CG2 4.23Å; T246-T250 VanDerWaalsContact O-CB 3.3Å; T246-T250 WeakPolarHBondContact O-CB 3.2Å; T246-T250 PolarHBondContact O-N 3.09Å; T246-T250 PolarHBondContact O-OG1 2.97Å; I248-T250 VanDerWaalsContact C-N 3.26Å; I248-T250 PolarHBondContact O-N 2.81Å; T250-H254 WeakPolarHBondContact O-CB 3.46Å; T250-H254 PolarHBondContact O-N 3.45Å
251I98.7Very high96.9Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-67.3-48.4175.5-68.2163.6000110.5L13 L16 V17 L82 L247 I248 D249 D253 H254 L255L13-I251 HydrophobicContact CD1-CD1 4.5Å; L16-I251 HydrophobicContact CB-CG2 3.85Å; V17-I251 HydrophobicContact CG2-CD1 4.14Å; L82-I251 HydrophobicContact CD1-CD1 4.3Å; L82-I251 HydrophobicContact CD1-CG1 3.5Å; L82-I251 VanDerWaalsContact CD1-CG1 3.5Å; L247-I251 HydrophobicContact CD1-CD1 4.03Å; L247-I251 HydrophobicContact CD1-CG1 4.36Å; L247-I251 HydrophobicContact CG-CD1 4.02Å; L247-I251 VanDerWaalsContact O-CG1 3.28Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 2.8Å; I248-I251 PolarHBondContact O-N 2.67Å; I248-I251 VanDerWaalsContact O-N 3.12Å; D249-I251 PolarHBondContact O-N 3.08Å; I251-D253 VanDerWaalsContact C-N 3.33Å; I251-D253 PolarHBondContact O-N 2.6Å; I251-H254 PolarHBondContact O-N 2.98Å; I251-L255 HydrophobicContact CG2-CD1 3.74Å; I251-L255 HydrophobicContact CG2-CG 4.26Å; I251-L255 WeakPolarHBondContact O-CB 3.5Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.32Å; I251-L255 PolarHBondContact O-N 2.79Å
252V98.6Very high96.9Very high21 Ų2142.5 Ų42.513%0.12723%0.226CC..Hα-helixtrans-57.6-50.8179.7171.20000109.8L16 W42 I248 D249 H254 L255 S256 L264L16-V252 HydrophobicContact CD1-CG2 3.99Å; L16-V252 HydrophobicContact CD2-CG2 3.82Å; W42-V252 HydrophobicContact CB-CG2 3.9Å; W42-V252 HydrophobicContact CD2-CG2 4.04Å; W42-V252 HydrophobicContact CG-CG2 3.61Å; I248-V252 WeakPolarHBondContact O-CG2 3.43Å; I248-V252 PolarHBondContact O-N 2.76Å; D249-V252 PolarHBondContact O-N 2.76Å; V252-H254 PolarHBondContact O-N 3.48Å; V252-L255 PolarHBondContact O-N 3.34Å; V252-S256 PolarHBondContact O-N 3Å; V252-S256 PolarHBondContact O-OG 3.24Å; V252-L264 HydrophobicContact CG1-CD1 4.01Å
253D98.3Very high97Very high59 Ų5944 Ų4432%0.31623%0.225SC..Hα-helixtrans-62.9-37.5179.5170.574.3000113.4D249 I251 R257D249-D253 WeakPolarHBondContact O-CB 3.22Å; D249-D253 PolarHBondContact O-N 3.39Å; I251-D253 VanDerWaalsContact C-N 3.33Å; I251-D253 PolarHBondContact O-N 2.6Å; D253-R257 VanDerWaalsContact CG-NH1 3.25Å; D253-R257 WeakPolarHBondContact O-CB 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.45Å; D253-R257 PolarHBondContact O-N 3.44Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 PolarHBondContact O-NH1 3.18Å; D253-R257 IonicContact OD1-CZ 3.73Å; D253-R257 IonicContact OD1-NE 3.75Å; D253-R257 PolarHBondContact OD1-NE 3.07Å; D253-R257 IonicContact OD1-NH1 2.99Å; D253-R257 PolarHBondContact OD1-NH1 2.75Å; D253-R257 IonicContact OD1-NH2 2.78Å; D253-R257 PolarHBondContact OD1-NH2 2.88Å; D253-R257 IonicContact OD2-CZ 3.69Å; D253-R257 IonicContact OD2-NE 3.98Å; D253-R257 IonicContact OD2-NH1 2.74Å; D253-R257 PolarHBondContact OD2-NH1 2.81Å; D253-R257 IonicContact OD2-NH2 3.19Å; D253-R257 PolarHBondContact OD2-NH2 2.58Å
254H97.9Very high97Very high42 Ų4245.4 Ų45.419%0.19423%0.233CC..Hα-helixtrans-62.4-50.5171.7-178.297.7000111.3Y20 L82 T250 I251 V252 R257 K258 H259Y20-H254 AromaticContact CD2-CD2 3.96Å; Y20-H254 AromaticContact CE2-CD2 3.66Å; Y20-H254 AromaticContact CE2-NE2 3.64Å; L82-H254 HydrophobicContact CD2-CB 4.03Å; T250-H254 WeakPolarHBondContact O-CB 3.46Å; T250-H254 PolarHBondContact O-N 3.45Å; I251-H254 PolarHBondContact O-N 2.98Å; V252-H254 PolarHBondContact O-N 3.48Å; H254-R257 PolarHBondContact O-N 3.39Å; H254-K258 VanDerWaalsContact O-CB 3.29Å; H254-K258 WeakPolarHBondContact O-CB 3.11Å; H254-K258 PolarHBondContact O-N 3.44Å; H254-H259 AromaticContact NE2-NE2 3.76Å
255L97.6Very high97Very high0 Ų047.9 Ų47.90%024%0.244CC..Hα-helixtrans-61.2-49.7-179.2-68.9170.4000111I251 V252 R257 H259 I262 L264I251-L255 HydrophobicContact CG2-CD1 3.74Å; I251-L255 HydrophobicContact CG2-CG 4.26Å; I251-L255 WeakPolarHBondContact O-CB 3.5Å; I251-L255 VanDerWaalsContact O-CG 3.27Å; I251-L255 WeakPolarHBondContact O-CG 3.32Å; I251-L255 PolarHBondContact O-N 2.79Å; V252-L255 PolarHBondContact O-N 3.34Å; L255-R257 PolarHBondContact O-N 2.66Å; L255-H259 CarbonylContact O-C 3.35Å; L255-H259 WeakPolarHBondContact O-CA 3.12Å; L255-H259 WeakPolarHBondContact O-CB 3.39Å; L255-H259 PolarHBondContact O-N 3.04Å; L255-I262 HydrophobicContact CD2-CD1 3.71Å; L255-L264 HydrophobicContact CB-CD1 4.14Å
256S96.7Very high96.9Very high63 Ų6348.6 Ų48.644%0.44125%0.249SC..Hα-helixtrans-61.9-40.3-179.8-62.60000113.1V252V252-S256 PolarHBondContact O-N 3Å; V252-S256 PolarHBondContact O-OG 3.24Å
257R95.7Very high96.8Very high162 Ų16249.6 Ų49.661%0.61125%0.254SS*.Hα-helixtrans-82.6-36.4-177.2-70.3-156.3-116.288.3-26.5114.3D253 H254 L255D253-R257 VanDerWaalsContact CG-NH1 3.25Å; D253-R257 WeakPolarHBondContact O-CB 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.45Å; D253-R257 PolarHBondContact O-N 3.44Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 PolarHBondContact O-NH1 3.18Å; D253-R257 IonicContact OD1-CZ 3.73Å; D253-R257 IonicContact OD1-NE 3.75Å; D253-R257 PolarHBondContact OD1-NE 3.07Å; D253-R257 IonicContact OD1-NH1 2.99Å; D253-R257 PolarHBondContact OD1-NH1 2.75Å; D253-R257 IonicContact OD1-NH2 2.78Å; D253-R257 PolarHBondContact OD1-NH2 2.88Å; D253-R257 IonicContact OD2-CZ 3.69Å; D253-R257 IonicContact OD2-NE 3.98Å; D253-R257 IonicContact OD2-NH1 2.74Å; D253-R257 PolarHBondContact OD2-NH1 2.81Å; D253-R257 IonicContact OD2-NH2 3.19Å; D253-R257 PolarHBondContact OD2-NH2 2.58Å; H254-R257 PolarHBondContact O-N 3.39Å; L255-R257 PolarHBondContact O-N 2.66Å
258K94.7Very high96.7Very high134 Ų13449.6 Ų49.658%0.58325%0.254SS*.Hα-helixtrans-97.9-18-173.2-60.1-62.9-174.5-179.40113.1H254H254-K258 VanDerWaalsContact O-CB 3.29Å; H254-K258 WeakPolarHBondContact O-CB 3.11Å; H254-K258 PolarHBondContact O-N 3.44Å
259H94.6Very high96.6Very high23 Ų2351.4 Ų51.411%0.10627%0.266CS..  trans-135.869.5-174.3-57.8-87.5000111.5H254 L255 H261 I262H254-H259 AromaticContact NE2-NE2 3.76Å; L255-H259 CarbonylContact O-C 3.35Å; L255-H259 WeakPolarHBondContact O-CA 3.12Å; L255-H259 WeakPolarHBondContact O-CB 3.39Å; L255-H259 PolarHBondContact O-N 3.04Å; H259-H261 AromaticContact ND1-CE1 3.83Å; H259-H261 PolarHBondContact O-N 2.89Å; H259-I262 HydrophobicContact CB-CB 4.33Å; H259-I262 HydrophobicContact CB-CD1 3.46Å; H259-I262 VanDerWaalsContact CB-CD1 3.46Å; H259-I262 HydrophobicContact CB-CG1 3.76Å; H259-I262 VanDerWaalsContact O-CB 3.29Å; H259-I262 WeakPolarHBondContact O-CB 3.03Å; H259-I262 PolarHBondContact O-N 3.12Å
260P89.4Confident96.6Very high110 Ų11047.7 Ų47.771%0.71425%0.247SC*.THydrogen-bonded Turntrans-65.7-11.9-174.327.7-36.6000114.9I262P260-I262 VanDerWaalsContact C-N 3.26Å
261H92.5Very high96.5Very high47 Ų4749 Ų4922%0.21825%0.251CS..THydrogen-bonded Turntrans-81.7-3.817160.9-69.1000113.2L28 Y31 H259L28-H261 WeakPolarHBondContact CD1-CE1 3.26Å; Y31-H261 AromaticContact CE1-NE2 3.41Å; Y31-H261 WeakPolarHBondContact CE1-NE2 3.41Å; Y31-H261 AromaticContact CE2-NE2 3.76Å; Y31-H261 AromaticContact CZ-CD2 3.9Å; Y31-H261 AromaticContact CZ-NE2 3.16Å; Y31-H261 PolarHBondContact O-CD2 2.75Å; Y31-H261 PolarHBondContact OH-NE2 3.04Å; H259-H261 AromaticContact ND1-CE1 3.83Å; H259-H261 PolarHBondContact O-N 2.89Å
262I97Very high96.4Very high10 Ų1053.7 Ų53.75%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-92.2119.1170.3-59.9-178.1000108.4Y31 L33 L255 H259 P260 L264Y31-I262 HydrophobicContact CE2-CD1 4.5Å; Y31-I262 HydrophobicContact CE2-CG1 4.35Å; L33-I262 HydrophobicContact CB-CB 4.49Å; L33-I262 HydrophobicContact CB-CG1 4.04Å; L33-I262 HydrophobicContact CB-CG2 4.32Å; L33-I262 HydrophobicContact CD2-CB 4.35Å; L33-I262 HydrophobicContact CD2-CD1 4.26Å; L33-I262 HydrophobicContact CD2-CG1 4.21Å; L33-I262 HydrophobicContact CD2-CG2 3.43Å; L33-I262 VanDerWaalsContact CD2-CG2 3.43Å; L33-I262 WeakPolarHBondContact O-CA 3.46Å; L255-I262 HydrophobicContact CD2-CD1 3.71Å; H259-I262 HydrophobicContact CB-CB 4.33Å; H259-I262 HydrophobicContact CB-CD1 3.46Å; H259-I262 VanDerWaalsContact CB-CD1 3.46Å; H259-I262 HydrophobicContact CB-CG1 3.76Å; H259-I262 VanDerWaalsContact O-CB 3.29Å; H259-I262 WeakPolarHBondContact O-CB 3.03Å; H259-I262 PolarHBondContact O-N 3.12Å; P260-I262 VanDerWaalsContact C-N 3.26Å; I262-L264 HydrophobicContact CG2-CD2 3.71Å; I262-L264 HydrophobicContact CG2-CG 4.2Å
263D97.3Very high96.3Very high65 Ų6552.7 Ų52.735%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-99.7116.2-178.618028.2000110L33 T34 V35 Q265L33-D263 PolarHBondContact O-N 3.03Å; T34-D263 CarbonylContact C-O 3.57Å; T34-D263 WeakPolarHBondContact CA-O 3.44Å; V35-D263 PolarHBondContact N-O 3.23Å; D263-Q265 PolarHBondContact OD2-NE2 3.04Å
264L98.3Very high96.1Very high31 Ų3154.7 Ų54.716%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-111113.9-177.6-57.7-176.4000109V35 W42 V252 L255 I262V35-L264 HydrophobicContact CB-CD2 3.6Å; V35-L264 HydrophobicContact CG1-CD2 4.46Å; V35-L264 HydrophobicContact CG2-CD2 3.35Å; W42-L264 HydrophobicContact CH2-CB 3.88Å; W42-L264 HydrophobicContact CZ2-CB 3.64Å; V252-L264 HydrophobicContact CG1-CD1 4.01Å; L255-L264 HydrophobicContact CB-CD1 4.14Å; I262-L264 HydrophobicContact CG2-CD2 3.71Å; I262-L264 HydrophobicContact CG2-CG 4.2Å
265Q97.6Very high95.7Very high53 Ų5355.6 Ų55.625%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-123.6126.7-177.6-50.4-172.915.700112.2V35 L36 E37 D263 C268V35-Q265 PolarHBondContact O-N 2.96Å; L36-Q265 HydrophobicContact CD2-CB 3.79Å; L36-Q265 HydrophobicContact CD2-CG 4.1Å; E37-Q265 PolarHBondContact N-O 3.23Å; D263-Q265 PolarHBondContact OD2-NE2 3.04Å; Q265-C268 HydrophobicContact CB-CB 4.35Å; Q265-C268 PolarHBondContact OE1-SG 3.08Å; Q265-C268 VanDerWaalsContact OE1-SG 3.41Å
266L97.3Very high95.2Very high50 Ų5058.1 Ų58.126%0.26230%0.298SS..SBendtrans-91.5165.8171-68172.7000110.4E37 R41 W42 C268E37-L266 HydrophobicContact CB-CD2 3.95Å; E37-L266 HydrophobicContact CG-CD2 3.76Å; E37-L266 CarbonylContact O-C 3.51Å; E37-L266 VanDerWaalsContact O-C 3.31Å; E37-L266 WeakPolarHBondContact O-CA 3.37Å; R41-L266 VanDerWaalsContact C-CD2 3.41Å; R41-L266 WeakPolarHBondContact O-CD2 3.19Å; W42-L266 HydrophobicContact CD2-CD2 3.56Å; W42-L266 HydrophobicContact CD2-CG 4.29Å; W42-L266 HydrophobicContact CE3-CD2 4Å; W42-L266 HydrophobicContact CG-CD2 3.97Å; W42-L266 HydrophobicContact CH2-CD2 4.09Å; W42-L266 HydrophobicContact CH2-CG 4.4Å; W42-L266 HydrophobicContact CZ2-CD2 3.67Å; W42-L266 HydrophobicContact CZ2-CG 3.66Å; W42-L266 HydrophobicContact CZ3-CD2 4.25Å; L266-C268 PolarHBondContact O-N 3.21Å; L266-C268 PolarHBondContact O-SG 2.64Å; L266-C268 VanDerWaalsContact O-SG 3.33Å
267N96.1Very high94.5Very high52 Ų5262.4 Ų62.428%0.27832%0.316SS..SBendtrans57.822.4-178.4-53-65.9000113.9E37 S39 S40 S286 I287E37-N267 PolarHBondContact O-N 2.75Å; S39-N267 PolarHBondContact O-N 2.91Å; S40-N267 VanDerWaalsContact CA-OD1 3.26Å; S40-N267 WeakPolarHBondContact CA-OD1 3.43Å; S40-N267 WeakPolarHBondContact CB-OD1 3.26Å; S40-N267 PolarHBondContact N-OD1 3.35Å; N267-S286 CarbonylContact O-C 3.52Å; N267-S286 WeakPolarHBondContact O-CA 3.34Å; N267-I287 HydrophobicContact CB-CB 4.17Å; N267-I287 VanDerWaalsContact CB-O 3.27Å; N267-I287 WeakPolarHBondContact CB-O 3.19Å; N267-I287 PolarHBondContact O-N 2.86Å
268C96.6Very high93.9Very high3 Ų355.1 Ų55.12%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-111.7102.4-177.7-67.10000110.2L36 E37 S38 Q265 L266 Y284 K285L36-C268 HydrophobicContact CB-CB 4.08Å; L36-C268 HydrophobicContact CD2-CB 3.87Å; L36-C268 HydrophobicContact CG-CB 4.38Å; E37-C268 CarbonylContact C-O 3.58Å; E37-C268 PolarHBondContact O-N 3.12Å; S38-C268 PolarHBondContact N-O 3.34Å; Q265-C268 HydrophobicContact CB-CB 4.35Å; Q265-C268 PolarHBondContact OE1-SG 3.08Å; Q265-C268 VanDerWaalsContact OE1-SG 3.41Å; L266-C268 PolarHBondContact O-N 3.21Å; L266-C268 PolarHBondContact O-SG 2.64Å; L266-C268 VanDerWaalsContact O-SG 3.33Å; C268-Y284 HydrophobicContact CB-CD2 4.27Å; C268-K285 CarbonylContact C-O 3.45Å; C268-K285 WeakPolarHBondContact CA-O 2.99Å
269S96.4Very high93.6Very high38 Ų3849.6 Ų49.627%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-95.3116179.7-174.30000111Y284 K285S269-Y284 CarbonylContact O-C 3.52Å; S269-Y284 WeakPolarHBondContact O-CA 3.31Å; S269-Y284 WeakPolarHBondContact O-CB 3.3Å; S269-K285 PolarHBondContact N-O 3.49Å; S269-K285 PolarHBondContact O-N 3.22Å
270V98Very high93.6Very high8 Ų848.5 Ų48.55%0.04826%0.263CS..EExtended strand (participates in β ladder)trans-74126.6170.9-178.50000109.2V9 L36 I314V9-V270 HydrophobicContact CG1-CB 4.05Å; V9-V270 HydrophobicContact CG1-CG2 4.07Å; V9-V270 HydrophobicContact CG2-CB 4.48Å; V9-V270 HydrophobicContact CG2-CG2 4.09Å; L36-V270 HydrophobicContact CB-CG2 4.14Å; L36-V270 HydrophobicContact CD1-CG2 3.63Å; L36-V270 HydrophobicContact CG-CG2 4.48Å; V270-I314 HydrophobicContact CB-CD1 3.98Å; V270-I314 HydrophobicContact CG1-CD1 3.95Å; V270-I314 HydrophobicContact CG1-CG1 4.25Å; V270-I314 HydrophobicContact CG1-CG2 3.98Å; V270-I314 WeakPolarHBondContact O-CD1 3.34Å; V270-I314 WeakPolarHBondContact O-CG1 3.49Å
271E96.3Very high93.9Very high58 Ų5845.3 Ų45.327%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-107.7-33.7-176.5-64.1-172165.900113T283 K294E271-T283 PolarHBondContact N-O 2.98Å; E271-K294 IonicContact OE1-NZ 2.65Å; E271-K294 WeakPolarHBondContact OE2-CE 3.46Å; E271-K294 IonicContact OE2-NZ 3.96Å; E271-K294 PolarHBondContact OE2-NZ 2.91Å
272K96.8Very high94.1Very high98 Ų9843 Ų4343%0.42623%0.229SC..EExtended strand (participates in β ladder)trans-148.7147-172.5-63.3-172.3-180-174.10111.8Y282 T283K272-Y282 WeakPolarHBondContact O-CA 3.3Å; K272-T283 PolarHBondContact N-O 2.87Å; K272-T283 PolarHBondContact O-N 3.41Å
273L96.4Very high94.1Very high1 Ų143.4 Ų43.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-124.4141169-162.369.9000109.8F280 E281 V302 F304 I314 L315 I318 I479L273-F280 HydrophobicContact CD1-CB 3.69Å; L273-F280 HydrophobicContact CD1-CG 4.42Å; L273-F280 HydrophobicContact CD2-CB 4.29Å; L273-F280 HydrophobicContact CD2-CD1 4Å; L273-F280 HydrophobicContact CD2-CG 4.15Å; L273-F280 HydrophobicContact CG-CB 4.03Å; L273-F280 HydrophobicContact CG-CD1 4.19Å; L273-F280 HydrophobicContact CG-CG 4.33Å; L273-E281 CarbonylContact C-O 3.58Å; L273-E281 WeakPolarHBondContact CA-O 3.47Å; L273-V302 HydrophobicContact CD1-CG2 4.24Å; L273-V302 HydrophobicContact CD2-CG2 4.15Å; L273-F304 HydrophobicContact CD2-CE2 4.17Å; L273-F304 HydrophobicContact CD2-CZ 4Å; L273-I314 HydrophobicContact CB-CG2 3.78Å; L273-I314 PolarHBondContact N-O 3.37Å; L273-I314 VanDerWaalsContact N-O 3.1Å; L273-L315 HydrophobicContact CB-CD2 4.4Å; L273-L315 HydrophobicContact CD2-CD2 3.81Å; L273-I318 HydrophobicContact CB-CD1 3.61Å; L273-I318 HydrophobicContact CD2-CD1 3.55Å; L273-I318 HydrophobicContact CG-CD1 3.51Å; L273-I479 HydrophobicContact CD2-CD1 3.99Å; L273-I479 HydrophobicContact CD2-CG1 4.47Å
274K94Very high94.1Very high100 Ų10040.9 Ų40.944%0.43522%0.217SC..EExtended strand (participates in β ladder)trans-135.3143.5173.7-66.7-175.8178.4-175.40110.4V276 F280 E281K274-V276 HydrophobicContact CB-CG2 4.31Å; K274-F280 CarbonylContact O-C 3.59Å; K274-F280 VanDerWaalsContact O-CA 3.28Å; K274-F280 WeakPolarHBondContact O-CA 3.28Å; K274-E281 PolarHBondContact N-O 3.19Å; K274-E281 PolarHBondContact O-N 3.35Å
275S89.8Confident93.9Very high62 Ų6241.8 Ų41.843%0.43422%0.22SC..EExtended strand (participates in β ladder)trans-79122.4168.9177.70000109.6H472S275-H472 PolarHBondContact OG-NE2 3.06Å; S275-H472 VanDerWaalsContact OG-NE2 3.1Å
276V87.7Confident93.5Very high53 Ų5340.5 Ų40.532%0.32122%0.217SC..EExtended strand (participates in β ladder)trans-137.7123179.4-177.70000109.1K274 G278 C279 E281K274-V276 HydrophobicContact CB-CG2 4.31Å; V276-G278 VanDerWaalsContact C-N 3.3Å; V276-G278 PolarHBondContact O-N 2.78Å; V276-G278 VanDerWaalsContact O-N 3.15Å; V276-C279 PolarHBondContact N-O 3.41Å; V276-C279 CarbonylContact O-C 3.38Å; V276-C279 PolarHBondContact O-N 3.17Å; V276-C279 VanDerWaalsContact O-O 3.08Å; V276-E281 HydrophobicContact CB-CB 4.47Å; V276-E281 HydrophobicContact CG2-CB 3.87Å
277N82.7Confident92.6Very high153 Ų15342.7 Ų42.782%0.81823%0.227SC*.THydrogen-bonded Turntrans50.140.2171.6-60-23.4000115.4C279N277-C279 VanDerWaalsContact C-N 3.29Å; N277-C279 PolarHBondContact O-N 3.28Å
278G82.5Confident91.4Very high9 Ų943.4 Ų43.49%0.09325%0.247CC..THydrogen-bonded Turntrans83.6-1.1-179.200000115.3V276V276-G278 VanDerWaalsContact C-N 3.3Å; V276-G278 PolarHBondContact O-N 2.78Å; V276-G278 VanDerWaalsContact O-N 3.15Å
279C89.4Confident89.5Confident17 Ų1748.8 Ų48.812%0.11528%0.276CS..EExtended strand (participates in β ladder)trans-124-176.7177.3-54.50000109.9V276 N277 D300V276-C279 PolarHBondContact N-O 3.41Å; V276-C279 CarbonylContact O-C 3.38Å; V276-C279 PolarHBondContact O-N 3.17Å; V276-C279 VanDerWaalsContact O-O 3.08Å; N277-C279 VanDerWaalsContact C-N 3.29Å; N277-C279 PolarHBondContact O-N 3.28Å; C279-D300 PolarHBondContact SG-OD1 3.47Å
280F93.5Very high87.4Confident0 Ų056 Ų560%031%0.311CS..EExtended strand (participates in β ladder)trans-109.6130.4169.3-57.6-73.3000111.4L273 K274 T298 A299 D300 V302 I318 I479L273-F280 HydrophobicContact CD1-CB 3.69Å; L273-F280 HydrophobicContact CD1-CG 4.42Å; L273-F280 HydrophobicContact CD2-CB 4.29Å; L273-F280 HydrophobicContact CD2-CD1 4Å; L273-F280 HydrophobicContact CD2-CG 4.15Å; L273-F280 HydrophobicContact CG-CB 4.03Å; L273-F280 HydrophobicContact CG-CD1 4.19Å; L273-F280 HydrophobicContact CG-CG 4.33Å; K274-F280 CarbonylContact O-C 3.59Å; K274-F280 VanDerWaalsContact O-CA 3.28Å; K274-F280 WeakPolarHBondContact O-CA 3.28Å; F280-T298 CarbonylContact O-C 3.51Å; F280-T298 WeakPolarHBondContact O-CA 3.47Å; F280-A299 PolarHBondContact N-O 3.17Å; F280-A299 PolarHBondContact O-N 3.46Å; F280-D300 WeakPolarHBondContact CD2-O 3.21Å; F280-V302 HydrophobicContact CB-CG2 4.27Å; F280-V302 HydrophobicContact CD2-CG2 3.93Å; F280-V302 HydrophobicContact CG-CG2 4.29Å; F280-I318 HydrophobicContact CD1-CD1 4.16Å; F280-I318 HydrophobicContact CE1-CD1 4.35Å; F280-I479 HydrophobicContact CD1-CD1 4.46Å; F280-I479 HydrophobicContact CE1-CD1 3.75Å; F280-I479 HydrophobicContact CE1-CG1 4.14Å; F280-I479 HydrophobicContact CE2-CD1 4.42Å; F280-I479 HydrophobicContact CE2-CG1 3.89Å; F280-I479 HydrophobicContact CZ-CD1 3.73Å; F280-I479 HydrophobicContact CZ-CG1 3.63Å
281E95.6Very high85.6Confident43 Ų4356.8 Ų56.820%0.20132%0.321CS..EExtended strand (participates in β ladder)trans-91.5122.8163.4179.3-177.398.900108.2L273 K274 V276 K296 N297L273-E281 CarbonylContact C-O 3.58Å; L273-E281 WeakPolarHBondContact CA-O 3.47Å; K274-E281 PolarHBondContact N-O 3.19Å; K274-E281 PolarHBondContact O-N 3.35Å; V276-E281 HydrophobicContact CB-CB 4.47Å; V276-E281 HydrophobicContact CG2-CB 3.87Å; E281-K296 WeakPolarHBondContact OE1-CE 3.36Å; E281-K296 IonicContact OE1-NZ 2.9Å; E281-K296 PolarHBondContact OE1-NZ 2.78Å; E281-K296 IonicContact OE2-NZ 2.81Å; E281-N297 WeakPolarHBondContact CA-O 3.29Å
282Y97Very high84.2Confident0 Ų059.9 Ų59.90%034%0.339CS..EExtended strand (participates in β ladder)trans-109.1140.8173.562-84.9000110.6L7 L36 K272 Y284 K296 N297 A299L7-Y282 HydrophobicContact CD1-CD2 4.49Å; L7-Y282 HydrophobicContact CD1-CE1 4.42Å; L7-Y282 HydrophobicContact CD1-CE2 4.1Å; L7-Y282 HydrophobicContact CD2-CD1 3.63Å; L7-Y282 HydrophobicContact CD2-CD2 3.88Å; L7-Y282 HydrophobicContact CD2-CE1 3.97Å; L7-Y282 HydrophobicContact CD2-CE2 4.23Å; L7-Y282 HydrophobicContact CD2-CG 3.56Å; L36-Y282 HydrophobicContact CD1-CD2 4.23Å; L36-Y282 HydrophobicContact CD1-CE2 3.77Å; K272-Y282 WeakPolarHBondContact O-CA 3.3Å; Y282-Y284 AromaticContact CD2-CD1 3.61Å; Y282-Y284 HydrophobicContact CD2-CD1 3.61Å; Y282-Y284 HydrophobicContact CD2-CE1 4.18Å; Y282-Y284 AromaticContact CE2-CD1 3.49Å; Y282-Y284 HydrophobicContact CE2-CD1 3.49Å; Y282-Y284 VanDerWaalsContact CE2-CD1 3.49Å; Y282-Y284 AromaticContact CE2-CE1 3.63Å; Y282-Y284 HydrophobicContact CE2-CE1 3.63Å; Y282-Y284 HydrophobicContact CE2-CG 4.46Å; Y282-K296 WeakPolarHBondContact O-CA 3.49Å; Y282-N297 WeakPolarHBondContact CD1-O 3.48Å; Y282-N297 HydrophobicContact CE1-CB 3.87Å; Y282-N297 HydrophobicContact CE2-CB 3.93Å; Y282-N297 PolarHBondContact N-O 2.64Å; Y282-N297 PolarHBondContact O-N 2.79Å; Y282-N297 VanDerWaalsContact O-N 3.12Å; Y282-N297 WeakPolarHBondContact OH-CB 3.28Å; Y282-N297 PolarHBondContact OH-ND2 2.69Å; Y282-A299 HydrophobicContact CD1-CB 4.18Å; Y282-A299 HydrophobicContact CE1-CB 3.95Å
283T97.1Very high83.4Confident17 Ų1761.1 Ų61.110%0.10435%0.351CS..EExtended strand (participates in β ladder)trans-107.6128.8173-54.70000108.8E271 K272 K294 E295 K296E271-T283 PolarHBondContact N-O 2.98Å; K272-T283 PolarHBondContact N-O 2.87Å; K272-T283 PolarHBondContact O-N 3.41Å; T283-K294 HydrophobicContact CG2-CB 3.87Å; T283-K294 HydrophobicContact CG2-CD 4.21Å; T283-E295 VanDerWaalsContact CA-O 3.32Å; T283-E295 WeakPolarHBondContact CA-O 3.22Å; T283-K296 HydrophobicContact CG2-CG 4.49Å
284Y96.3Very high83.1Confident13 Ų1366.8 Ų66.85%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-135.1160.4178.166.4-79.2000111.4L36 C268 S269 Y282 E295 N297L36-Y284 HydrophobicContact CD1-CD1 4.14Å; L36-Y284 HydrophobicContact CD1-CD2 4.18Å; L36-Y284 HydrophobicContact CD1-CG 3.86Å; C268-Y284 HydrophobicContact CB-CD2 4.27Å; S269-Y284 CarbonylContact O-C 3.52Å; S269-Y284 WeakPolarHBondContact O-CA 3.31Å; S269-Y284 WeakPolarHBondContact O-CB 3.3Å; Y282-Y284 AromaticContact CD2-CD1 3.61Å; Y282-Y284 HydrophobicContact CD2-CD1 3.61Å; Y282-Y284 HydrophobicContact CD2-CE1 4.18Å; Y282-Y284 AromaticContact CE2-CD1 3.49Å; Y282-Y284 HydrophobicContact CE2-CD1 3.49Å; Y282-Y284 VanDerWaalsContact CE2-CD1 3.49Å; Y282-Y284 AromaticContact CE2-CE1 3.63Å; Y282-Y284 HydrophobicContact CE2-CE1 3.63Å; Y282-Y284 HydrophobicContact CE2-CG 4.46Å; Y284-E295 HydrophobicContact CD1-CB 4.25Å; Y284-E295 HydrophobicContact CD2-CB 4.45Å; Y284-E295 HydrophobicContact CE1-CB 3.72Å; Y284-E295 HydrophobicContact CE2-CB 3.91Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.23Å; Y284-E295 PolarHBondContact N-O 2.94Å; Y284-E295 PolarHBondContact O-N 2.92Å; Y284-E295 PolarHBondContact OH-OE2 2.84Å; Y284-N297 HydrophobicContact CE1-CB 4.22Å
285K94.1Very high83Confident50 Ų5066.2 Ų66.222%0.21737%0.374CS..EExtended strand (participates in β ladder)trans-121.3127.3179.1-178.7-174.7178.1-172.60109.4C268 S269 N292C268-K285 CarbonylContact C-O 3.45Å; C268-K285 WeakPolarHBondContact CA-O 2.99Å; S269-K285 PolarHBondContact N-O 3.49Å; S269-K285 PolarHBondContact O-N 3.22Å; K285-N292 WeakPolarHBondContact CE-OD1 3.43Å; K285-N292 PolarHBondContact NZ-OD1 3.22Å
286S90.8Very high83.3Confident26 Ų2669.3 Ų69.318%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-86130.2168.8-173.80000110N267N267-S286 CarbonylContact O-C 3.52Å; N267-S286 WeakPolarHBondContact O-CA 3.34Å
287I78.6Confident83.7Confident95 Ų9569.7 Ų69.749%0.48738%0.38SS..SBendtrans-103.787.8176.1-55.3170000106.8N267N267-I287 HydrophobicContact CB-CB 4.17Å; N267-I287 VanDerWaalsContact CB-O 3.27Å; N267-I287 WeakPolarHBondContact CB-O 3.19Å; N267-I287 PolarHBondContact O-N 2.86Å
288G69.6Low84.3Confident67 Ų6764.6 Ų64.669%0.69135%0.354SS*.SBendtrans173.3-35.2-179.800000114.3
289D56.5Low84.9Confident117 Ų11764.1 Ų64.163%0.62635%0.35SS*.SBendtrans-82.2147.8173.7-66.3-43.1000110.2G291D289-G291 PolarHBondContact O-N 3.46Å
290N53.2Low85.1Confident190 Ų19064.1 Ų64.1100%1.01635%0.348SS*.SBendtrans-61.519.4-177.8-82.2-27000115
291G59.5Low85.2Confident24 Ų2464.3 Ų64.325%0.24735%0.349CS..SBendtrans-132.1137.5171.400000110.6D289 D293D289-G291 PolarHBondContact O-N 3.46Å; G291-D293 PolarHBondContact O-N 3.17Å
292N66.4Low85.3Confident122 Ų12262.2 Ų62.265%0.65234%0.34SS*.  trans-73.128162.6-80.6-38.6000111.3K285 K294K285-N292 WeakPolarHBondContact CE-OD1 3.43Å; K285-N292 PolarHBondContact NZ-OD1 3.22Å; N292-K294 PolarHBondContact O-N 3.38Å
293D80.6Confident85.4Confident125 Ų12562.2 Ų62.267%0.66834%0.34SS*.PPolyproline II helixtrans-69.6130.1-169.1-71.4-22.9000109.3G291G291-D293 PolarHBondContact O-N 3.17Å
294K89.7Confident85.5Confident120 Ų12061.5 Ų61.552%0.52234%0.335SS..EExtended strand (participates in β ladder)trans-88.3120.7178.9-64-171.3-176.9-166.50108E271 T283 N292E271-K294 IonicContact OE1-NZ 2.65Å; E271-K294 WeakPolarHBondContact OE2-CE 3.46Å; E271-K294 IonicContact OE2-NZ 3.96Å; E271-K294 PolarHBondContact OE2-NZ 2.91Å; T283-K294 HydrophobicContact CG2-CB 3.87Å; T283-K294 HydrophobicContact CG2-CD 4.21Å; N292-K294 PolarHBondContact O-N 3.38Å
295E93.5Very high85.6Confident87 Ų8761.6 Ų61.641%0.40734%0.337SS..EExtended strand (participates in β ladder)trans-91.3154.4175.3-68.7-177.8-160.500110.3T283 Y284T283-E295 VanDerWaalsContact CA-O 3.32Å; T283-E295 WeakPolarHBondContact CA-O 3.22Å; Y284-E295 HydrophobicContact CD1-CB 4.25Å; Y284-E295 HydrophobicContact CD2-CB 4.45Å; Y284-E295 HydrophobicContact CE1-CB 3.72Å; Y284-E295 HydrophobicContact CE2-CB 3.91Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.23Å; Y284-E295 PolarHBondContact N-O 2.94Å; Y284-E295 PolarHBondContact O-N 2.92Å; Y284-E295 PolarHBondContact OH-OE2 2.84Å
296K95.4Very high85.8Confident127 Ų12759.8 Ų59.855%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-129.4137.2176.6-68.7-178167.2-151.50109.6E281 Y282 T283E281-K296 WeakPolarHBondContact OE1-CE 3.36Å; E281-K296 IonicContact OE1-NZ 2.9Å; E281-K296 PolarHBondContact OE1-NZ 2.78Å; E281-K296 IonicContact OE2-NZ 2.81Å; Y282-K296 WeakPolarHBondContact O-CA 3.49Å; T283-K296 HydrophobicContact CG2-CG 4.49Å
297N96.2Very high86.1Confident62 Ų6260.1 Ų60.133%0.33233%0.333SS..EExtended strand (participates in β ladder)trans-148.6169.7175.1-162.5-11.1000109.1E281 Y282 Y284E281-N297 WeakPolarHBondContact CA-O 3.29Å; Y282-N297 WeakPolarHBondContact CD1-O 3.48Å; Y282-N297 HydrophobicContact CE1-CB 3.87Å; Y282-N297 HydrophobicContact CE2-CB 3.93Å; Y282-N297 PolarHBondContact N-O 2.64Å; Y282-N297 PolarHBondContact O-N 2.79Å; Y282-N297 VanDerWaalsContact O-N 3.12Å; Y282-N297 WeakPolarHBondContact OH-CB 3.28Å; Y282-N297 PolarHBondContact OH-ND2 2.69Å; Y284-N297 HydrophobicContact CE1-CB 4.22Å
298T95.4Very high87.1Confident45 Ų4555.6 Ų55.628%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-114.9143-176.2640000111R2 H5 F280R2-T298 PolarHBondContact NH2-OG1 2.95Å; R2-T298 VanDerWaalsContact NH2-OG1 3.1Å; H5-T298 PolarHBondContact CE1-O 3.4Å; H5-T298 PolarHBondContact ND1-O 3.41Å; F280-T298 CarbonylContact O-C 3.51Å; F280-T298 WeakPolarHBondContact O-CA 3.47Å
299A95.4Very high88.4Confident0 Ų055.2 Ų55.20%029%0.289CS..EExtended strand (participates in β ladder)trans-132.7150.1169.300000109.9L7 F280 Y282 V302L7-A299 HydrophobicContact CB-CB 3.67Å; F280-A299 PolarHBondContact N-O 3.17Å; F280-A299 PolarHBondContact O-N 3.46Å; Y282-A299 HydrophobicContact CD1-CB 4.18Å; Y282-A299 HydrophobicContact CE1-CB 3.95Å; A299-V302 HydrophobicContact CB-CG2 4.31Å
300D93.7Very high90.4Very high16 Ų1651.9 Ų51.99%0.08627%0.273CS..SBendtrans-84.4-43.6174.7-59.7-66.3000109.5P4 H5 C279 F280 S477 G478P4-D300 WeakPolarHBondContact CA-OD2 3.16Å; H5-D300 PolarHBondContact N-OD2 2.81Å; H5-D300 PolarHBondContact O-N 3.09Å; C279-D300 PolarHBondContact SG-OD1 3.47Å; F280-D300 WeakPolarHBondContact CD2-O 3.21Å; D300-S477 VanDerWaalsContact O-CA 3.24Å; D300-S477 WeakPolarHBondContact O-CA 3.36Å; D300-G478 PolarHBondContact O-N 3.12Å
301I94.7Very high92.5Very high4 Ų442.8 Ų42.82%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-124.2137.8-179.6-6298.9000110.5P4 H5 Y6 L7 F303 G478 Y480 E505P4-I301 HydrophobicContact CB-CD1 4.4Å; H5-I301 PolarHBondContact O-N 3.42Å; Y6-I301 CarbonylContact C-O 3.59Å; Y6-I301 WeakPolarHBondContact CA-O 3.39Å; Y6-I301 HydrophobicContact CD1-CB 3.6Å; Y6-I301 HydrophobicContact CD1-CD1 4.19Å; Y6-I301 HydrophobicContact CD1-CG1 4.33Å; Y6-I301 HydrophobicContact CD1-CG2 3.81Å; Y6-I301 HydrophobicContact CE1-CB 3.77Å; Y6-I301 HydrophobicContact CE1-CD1 3.69Å; Y6-I301 HydrophobicContact CE1-CG1 3.99Å; Y6-I301 HydrophobicContact CE1-CG2 3.98Å; L7-I301 PolarHBondContact N-O 3.49Å; I301-F303 HydrophobicContact CG2-CD2 4.06Å; I301-F303 HydrophobicContact CG2-CE2 3.58Å; I301-F303 HydrophobicContact CG2-CZ 4.19Å; I301-G478 CarbonylContact C-O 3.31Å; I301-G478 WeakPolarHBondContact CA-O 3.39Å; I301-Y480 HydrophobicContact CG2-CD2 3.79Å; I301-Y480 HydrophobicContact CG2-CE2 3.66Å; I301-E505 HydrophobicContact CG1-CG 4.46Å; I301-E505 HydrophobicContact CG2-CG 4.1Å
302V97.6Very high94.4Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-124.2125.5179.4-170.50000111L7 V9 L273 F280 A299 F304 G478 I479 Y480L7-V302 HydrophobicContact CB-CG1 4.36Å; L7-V302 HydrophobicContact CB-CG2 4.33Å; L7-V302 HydrophobicContact CD2-CG1 4.01Å; L7-V302 HydrophobicContact CD2-CG2 4.37Å; L7-V302 HydrophobicContact CG-CG1 4.27Å; L7-V302 CarbonylContact O-C 3.34Å; L7-V302 WeakPolarHBondContact O-CA 3.28Å; V9-V302 HydrophobicContact CG2-CG1 4.1Å; L273-V302 HydrophobicContact CD1-CG2 4.24Å; L273-V302 HydrophobicContact CD2-CG2 4.15Å; F280-V302 HydrophobicContact CB-CG2 4.27Å; F280-V302 HydrophobicContact CD2-CG2 3.93Å; F280-V302 HydrophobicContact CG-CG2 4.29Å; A299-V302 HydrophobicContact CB-CG2 4.31Å; V302-F304 HydrophobicContact CB-CE2 4.22Å; V302-F304 HydrophobicContact CG1-CD2 4.03Å; V302-F304 HydrophobicContact CG1-CE2 3.56Å; V302-F304 HydrophobicContact CG1-CZ 3.85Å; V302-G478 PolarHBondContact N-O 2.95Å; V302-I479 WeakPolarHBondContact O-CA 3.42Å; V302-Y480 PolarHBondContact O-N 3.44Å
303F98.5Very high95.9Very high0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-105.2116.9170.4-67.4-95.1000109.8Y6 L7 I8 V9 T18 I22 I301 C305 Y480 V482 A501 V502 E505Y6-F303 AromaticContact CD1-CE2 3.8Å; Y6-F303 HydrophobicContact CD1-CE2 3.8Å; Y6-F303 HydrophobicContact CE1-CE2 4.26Å; L7-F303 PolarHBondContact O-N 3.1Å; I8-F303 HydrophobicContact CG1-CB 4.17Å; I8-F303 HydrophobicContact CG1-CD2 4.43Å; V9-F303 PolarHBondContact N-O 2.93Å; T18-F303 HydrophobicContact CG2-CB 4.18Å; T18-F303 HydrophobicContact CG2-CD1 3.76Å; T18-F303 HydrophobicContact CG2-CD2 4.24Å; T18-F303 HydrophobicContact CG2-CE1 4.18Å; T18-F303 HydrophobicContact CG2-CG 3.81Å; I22-F303 HydrophobicContact CD1-CD2 4.23Å; I22-F303 HydrophobicContact CD1-CE2 3.73Å; I22-F303 HydrophobicContact CD1-CZ 4.19Å; I301-F303 HydrophobicContact CG2-CD2 4.06Å; I301-F303 HydrophobicContact CG2-CE2 3.58Å; I301-F303 HydrophobicContact CG2-CZ 4.19Å; F303-C305 PolarHBondContact O-N 3.08Å; F303-Y480 WeakPolarHBondContact CA-O 3.24Å; F303-Y480 HydrophobicContact CD1-CD2 4.22Å; F303-Y480 HydrophobicContact CD1-CG 4.12Å; F303-Y480 AromaticContact CE1-CD2 3.8Å; F303-Y480 HydrophobicContact CE1-CD2 3.8Å; F303-Y480 AromaticContact CE1-CG 3.78Å; F303-Y480 HydrophobicContact CE1-CG 3.78Å; F303-Y480 HydrophobicContact CE2-CD2 4.4Å; F303-Y480 AromaticContact CZ-CD2 3.9Å; F303-Y480 HydrophobicContact CZ-CD2 3.9Å; F303-Y480 HydrophobicContact CZ-CE2 4.49Å; F303-Y480 HydrophobicContact CZ-CG 4.33Å; F303-V482 HydrophobicContact CB-CG2 4.46Å; F303-V482 HydrophobicContact CD1-CG2 3.88Å; F303-A501 HydrophobicContact CD1-CB 4.18Å; F303-A501 HydrophobicContact CE1-CB 3.96Å; F303-V502 HydrophobicContact CE1-CG2 4.41Å; F303-E505 HydrophobicContact CZ-CB 3.93Å; F303-E505 HydrophobicContact CZ-CG 4.07Å
304F98.7Very high96.7Very high1 Ų134 Ų340%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-89.3105.4173.5-73-83.9000110V9 L273 V302 T311 I314 L315 I479 Y480 L481 V482V9-F304 HydrophobicContact CB-CD1 4.09Å; V9-F304 HydrophobicContact CB-CE1 4.4Å; V9-F304 HydrophobicContact CG1-CD1 4.41Å; V9-F304 HydrophobicContact CG2-CD1 4.2Å; V9-F304 HydrophobicContact CG2-CE1 4.09Å; L273-F304 HydrophobicContact CD2-CE2 4.17Å; L273-F304 HydrophobicContact CD2-CZ 4Å; V302-F304 HydrophobicContact CB-CE2 4.22Å; V302-F304 HydrophobicContact CG1-CD2 4.03Å; V302-F304 HydrophobicContact CG1-CE2 3.56Å; V302-F304 HydrophobicContact CG1-CZ 3.85Å; F304-T311 HydrophobicContact CB-CG2 3.82Å; F304-T311 HydrophobicContact CD1-CG2 3.73Å; F304-T311 HydrophobicContact CD2-CG2 4.21Å; F304-T311 HydrophobicContact CE1-CG2 4.34Å; F304-T311 HydrophobicContact CG-CG2 3.64Å; F304-I314 HydrophobicContact CD1-CD1 4.45Å; F304-I314 HydrophobicContact CE1-CB 3.93Å; F304-I314 HydrophobicContact CE1-CD1 3.87Å; F304-I314 HydrophobicContact CE1-CG2 3.62Å; F304-I314 HydrophobicContact CZ-CB 4.41Å; F304-I314 HydrophobicContact CZ-CG2 3.75Å; F304-L315 HydrophobicContact CD2-CD1 4.36Å; F304-L315 HydrophobicContact CE2-CD1 4.07Å; F304-L315 HydrophobicContact CE2-CD2 3.67Å; F304-L315 HydrophobicContact CE2-CG 4.05Å; F304-L315 HydrophobicContact CZ-CD1 4.4Å; F304-L315 HydrophobicContact CZ-CD2 3.63Å; F304-L315 HydrophobicContact CZ-CG 3.93Å; F304-I479 HydrophobicContact CD2-CG2 3.72Å; F304-I479 HydrophobicContact CE2-CG2 3.74Å; F304-Y480 PolarHBondContact N-O 3.24Å; F304-L481 HydrophobicContact CB-CD2 4Å; F304-L481 HydrophobicContact CD2-CD2 4.42Å; F304-V482 PolarHBondContact O-N 3.38Å
305C98.7Very high97.1Very high15 Ų1528.2 Ų28.210%0.10115%0.153CC..  trans-108.22.2178.9-580000112.5I8 V9 G15 F303 V482I8-C305 HydrophobicContact CG2-CB 4.47Å; V9-C305 CarbonylContact O-C 3.56Å; V9-C305 WeakPolarHBondContact O-CA 3.26Å; V9-C305 WeakPolarHBondContact O-CB 3.22Å; V9-C305 PolarHBondContact O-N 3.39Å; G15-C305 VanDerWaalsContact CA-SG 3.51Å; F303-C305 PolarHBondContact O-N 3.08Å; C305-V482 WeakPolarHBondContact CA-O 3.25Å
306C98.2Very high97.2Very high13 Ų1329.8 Ų29.89%0.08816%0.161CC..SBendtrans-85.6169.8177.760.30000112.3V9 T310 T311V9-C306 HydrophobicContact CG1-CB 4.41Å; V9-C306 PolarHBondContact O-N 2.99Å; V9-C306 VanDerWaalsContact O-N 3.09Å; C306-T310 HydrophobicContact CB-CG2 4.36Å; C306-T311 PolarHBondContact SG-OG1 3.26Å
307P98.2Very high97Very high33 Ų3328.6 Ų28.621%0.21416%0.16CC..  trans-54.9147.8175.1-27.136.6000113.4F309 T310 T311 W334P307-F309 VanDerWaalsContact C-N 3.28Å; P307-F309 HydrophobicContact CB-CD1 3.91Å; P307-F309 HydrophobicContact CB-CD2 4.41Å; P307-F309 HydrophobicContact CB-CE1 3.35Å; P307-F309 HydrophobicContact CB-CE2 3.91Å; P307-F309 HydrophobicContact CB-CG 4.41Å; P307-F309 HydrophobicContact CB-CZ 3.35Å; P307-F309 HydrophobicContact CG-CE1 4.27Å; P307-F309 HydrophobicContact CG-CE2 4.46Å; P307-F309 HydrophobicContact CG-CZ 3.88Å; P307-F309 PolarHBondContact O-N 3.28Å; P307-T310 WeakPolarHBondContact O-CB 3.3Å; P307-T310 PolarHBondContact O-N 3.33Å; P307-T311 PolarHBondContact O-N 2.99Å; P307-T311 PolarHBondContact O-OG1 3.25Å; P307-W334 HydrophobicContact CB-CH2 3.79Å; P307-W334 HydrophobicContact CB-CZ2 3.78Å; P307-W334 HydrophobicContact CB-CZ3 4.43Å; P307-W334 HydrophobicContact CG-CH2 4.3Å
308S98.4Very high96.8Very high0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-57.6-37.6-173.864.90000113.7T310 T311 A312 L327 W334 S485S308-T310 VanDerWaalsContact C-N 3.34Å; S308-T310 PolarHBondContact O-N 2.71Å; S308-T311 CarbonylContact O-C 3.59Å; S308-T311 WeakPolarHBondContact O-CB 3.25Å; S308-T311 PolarHBondContact O-N 3.23Å; S308-A312 PolarHBondContact O-N 2.98Å; S308-L327 CarbonylContact C-O 3.5Å; S308-L327 VanDerWaalsContact CB-O 3.29Å; S308-L327 WeakPolarHBondContact CB-O 3.43Å; S308-L327 PolarHBondContact OG-O 2.54Å; S308-L327 VanDerWaalsContact OG-O 3.05Å; S308-W334 PolarHBondContact OG-NE1 3.11Å; S308-W334 VanDerWaalsContact OG-NE1 3.09Å; S308-S485 PolarHBondContact N-OG 3.44Å; S308-S485 VanDerWaalsContact N-OG 3.09Å
309F97.9Very high96.8Very high58 Ų5825.3 Ų25.325%0.25414%0.141SC..Hα-helixtrans-66.9-35.3179.154-98.6000112.1P307 A312 S313 P329 W334 N445P307-F309 VanDerWaalsContact C-N 3.28Å; P307-F309 HydrophobicContact CB-CD1 3.91Å; P307-F309 HydrophobicContact CB-CD2 4.41Å; P307-F309 HydrophobicContact CB-CE1 3.35Å; P307-F309 HydrophobicContact CB-CE2 3.91Å; P307-F309 HydrophobicContact CB-CG 4.41Å; P307-F309 HydrophobicContact CB-CZ 3.35Å; P307-F309 HydrophobicContact CG-CE1 4.27Å; P307-F309 HydrophobicContact CG-CE2 4.46Å; P307-F309 HydrophobicContact CG-CZ 3.88Å; P307-F309 PolarHBondContact O-N 3.28Å; F309-A312 WeakPolarHBondContact O-CB 3.37Å; F309-A312 PolarHBondContact O-N 2.61Å; F309-S313 PolarHBondContact O-N 2.73Å; F309-S313 VanDerWaalsContact O-N 3.13Å; F309-S313 PolarHBondContact O-OG 2.96Å; F309-P329 HydrophobicContact CB-CG 4.21Å; F309-W334 AromaticContact CD1-CD1 3.73Å; F309-W334 HydrophobicContact CD1-CD2 4.27Å; F309-W334 AromaticContact CD1-CE2 3.96Å; F309-W334 HydrophobicContact CD1-CG 4.13Å; F309-W334 AromaticContact CD1-NE1 3.64Å; F309-W334 AromaticContact CE1-CD2 3.83Å; F309-W334 HydrophobicContact CE1-CD2 3.83Å; F309-W334 AromaticContact CE1-CE2 3.84Å; F309-W334 HydrophobicContact CE1-CE3 4.39Å; F309-W334 AromaticContact CE1-CG 3.95Å; F309-W334 HydrophobicContact CE1-CG 3.95Å; F309-W334 HydrophobicContact CE1-CZ2 4.4Å; F309-W334 AromaticContact CE1-NE1 3.97Å; F309-N445 HydrophobicContact CE1-CB 3.95Å; F309-N445 HydrophobicContact CZ-CB 4.06Å
310T98.1Very high96.8Very high47 Ų4729.6 Ų29.629%0.28817%0.167SC..Hα-helixtrans-67.1-45.3172.3-56.80000110.2C306 P307 S308 A312 S313 I314C306-T310 HydrophobicContact CB-CG2 4.36Å; P307-T310 WeakPolarHBondContact O-CB 3.3Å; P307-T310 PolarHBondContact O-N 3.33Å; S308-T310 VanDerWaalsContact C-N 3.34Å; S308-T310 PolarHBondContact O-N 2.71Å; T310-A312 VanDerWaalsContact C-N 3.27Å; T310-A312 PolarHBondContact O-N 2.57Å; T310-S313 PolarHBondContact O-N 2.95Å; T310-I314 HydrophobicContact CG2-CD1 3.94Å; T310-I314 WeakPolarHBondContact O-CG1 3.36Å; T310-I314 PolarHBondContact O-N 2.68Å
311T98.4Very high96.9Very high0 Ų034 Ų340%020%0.195CC..Hα-helixtrans-58-40.2174.2-54.80000111.6F304 C306 P307 S308 I314 L315 L327 L481 Y486F304-T311 HydrophobicContact CB-CG2 3.82Å; F304-T311 HydrophobicContact CD1-CG2 3.73Å; F304-T311 HydrophobicContact CD2-CG2 4.21Å; F304-T311 HydrophobicContact CE1-CG2 4.34Å; F304-T311 HydrophobicContact CG-CG2 3.64Å; C306-T311 PolarHBondContact SG-OG1 3.26Å; P307-T311 PolarHBondContact O-N 2.99Å; P307-T311 PolarHBondContact O-OG1 3.25Å; S308-T311 CarbonylContact O-C 3.59Å; S308-T311 WeakPolarHBondContact O-CB 3.25Å; S308-T311 PolarHBondContact O-N 3.23Å; T311-I314 PolarHBondContact O-N 3.29Å; T311-L315 HydrophobicContact CG2-CD1 3.69Å; T311-L315 HydrophobicContact CG2-CG 4.25Å; T311-L315 WeakPolarHBondContact O-CB 3.39Å; T311-L315 WeakPolarHBondContact O-CG 3.21Å; T311-L315 PolarHBondContact O-N 2.91Å; T311-L327 HydrophobicContact CG2-CD1 3.98Å; T311-L327 HydrophobicContact CG2-CD2 4.19Å; T311-L481 HydrophobicContact CG2-CD2 3.87Å; T311-Y486 PolarHBondContact OG1-OH 3.1Å
312A98.2Very high96.9Very high6 Ų639.6 Ų39.65%0.0522%0.224CC..Hα-helixtrans-59.8-48.6175.800000111.3S308 F309 T310 I314 L315 E316 L324 L327 K328S308-A312 PolarHBondContact O-N 2.98Å; F309-A312 WeakPolarHBondContact O-CB 3.37Å; F309-A312 PolarHBondContact O-N 2.61Å; T310-A312 VanDerWaalsContact C-N 3.27Å; T310-A312 PolarHBondContact O-N 2.57Å; A312-I314 VanDerWaalsContact C-N 3.32Å; A312-I314 PolarHBondContact O-N 3.35Å; A312-L315 PolarHBondContact O-N 3.11Å; A312-E316 PolarHBondContact O-N 2.77Å; A312-E316 VanDerWaalsContact O-N 3.15Å; A312-L324 HydrophobicContact CB-CD1 4.3Å; A312-L324 WeakPolarHBondContact O-CD1 3.3Å; A312-L327 HydrophobicContact CB-CB 3.69Å; A312-K328 HydrophobicContact CB-CG 4.27Å
313S97.8Very high96.9Very high77 Ų7741 Ų4154%0.53823%0.232SC..Hα-helixtrans-60.1-41.5177.9-62.70000112.5F309 T310F309-S313 PolarHBondContact O-N 2.73Å; F309-S313 VanDerWaalsContact O-N 3.13Å; F309-S313 PolarHBondContact O-OG 2.96Å; T310-S313 PolarHBondContact O-N 2.95Å
314I98.3Very high96.9Very high2 Ų241.4 Ų41.41%0.0123%0.234CC..Hα-helixtrans-69.2-37.2-178.6-63.5165.3000111.7V9 V270 L273 F304 T310 T311 A312V9-I314 HydrophobicContact CG1-CD1 4.01Å; V270-I314 HydrophobicContact CB-CD1 3.98Å; V270-I314 HydrophobicContact CG1-CD1 3.95Å; V270-I314 HydrophobicContact CG1-CG1 4.25Å; V270-I314 HydrophobicContact CG1-CG2 3.98Å; V270-I314 WeakPolarHBondContact O-CD1 3.34Å; V270-I314 WeakPolarHBondContact O-CG1 3.49Å; L273-I314 HydrophobicContact CB-CG2 3.78Å; L273-I314 PolarHBondContact N-O 3.37Å; L273-I314 VanDerWaalsContact N-O 3.1Å; F304-I314 HydrophobicContact CD1-CD1 4.45Å; F304-I314 HydrophobicContact CE1-CB 3.93Å; F304-I314 HydrophobicContact CE1-CD1 3.87Å; F304-I314 HydrophobicContact CE1-CG2 3.62Å; F304-I314 HydrophobicContact CZ-CB 4.41Å; F304-I314 HydrophobicContact CZ-CG2 3.75Å; T310-I314 HydrophobicContact CG2-CD1 3.94Å; T310-I314 WeakPolarHBondContact O-CG1 3.36Å; T310-I314 PolarHBondContact O-N 2.68Å; T311-I314 PolarHBondContact O-N 3.29Å; A312-I314 VanDerWaalsContact C-N 3.32Å; A312-I314 PolarHBondContact O-N 3.35Å
315L96.9Very high96.9Very high0 Ų043.4 Ų43.40%025%0.248CC..Hα-helixtrans-91.35.4-175.6-66.4-177.1000114.8L273 F304 T311 A312 N317 I318 L319 L324 L327 I479L273-L315 HydrophobicContact CB-CD2 4.4Å; L273-L315 HydrophobicContact CD2-CD2 3.81Å; F304-L315 HydrophobicContact CD2-CD1 4.36Å; F304-L315 HydrophobicContact CE2-CD1 4.07Å; F304-L315 HydrophobicContact CE2-CD2 3.67Å; F304-L315 HydrophobicContact CE2-CG 4.05Å; F304-L315 HydrophobicContact CZ-CD1 4.4Å; F304-L315 HydrophobicContact CZ-CD2 3.63Å; F304-L315 HydrophobicContact CZ-CG 3.93Å; T311-L315 HydrophobicContact CG2-CD1 3.69Å; T311-L315 HydrophobicContact CG2-CG 4.25Å; T311-L315 WeakPolarHBondContact O-CB 3.39Å; T311-L315 WeakPolarHBondContact O-CG 3.21Å; T311-L315 PolarHBondContact O-N 2.91Å; A312-L315 PolarHBondContact O-N 3.11Å; L315-N317 PolarHBondContact O-N 2.9Å; L315-N317 VanDerWaalsContact O-N 3.14Å; L315-I318 HydrophobicContact CD2-CB 4.41Å; L315-I318 HydrophobicContact CD2-CD1 4.12Å; L315-I318 PolarHBondContact O-N 3.37Å; L315-L319 HydrophobicContact CB-CD1 3.75Å; L315-L319 HydrophobicContact CB-CG 4.06Å; L315-L319 HydrophobicContact CD1-CD1 3.74Å; L315-L319 HydrophobicContact CD1-CG 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.38Å; L315-L319 PolarHBondContact O-N 3.45Å; L315-L324 HydrophobicContact CB-CD1 4.39Å; L315-L327 HydrophobicContact CD1-CD1 4.27Å; L315-I479 HydrophobicContact CD1-CG2 4.46Å; L315-I479 HydrophobicContact CD2-CD1 4.04Å
316E95.9Very high96.8Very high120 Ų12045 Ų4556%0.56125%0.252SS*.THydrogen-bonded Turntrans-53.8-36.3-176.4-175.8175.3-144.600113.6A312 L324A312-E316 PolarHBondContact O-N 2.77Å; A312-E316 VanDerWaalsContact O-N 3.15Å; E316-L324 HydrophobicContact CB-CD2 4.33Å; E316-L324 HydrophobicContact CG-CD2 4.2Å
317N92.1Very high96.8Very high101 Ų10144.4 Ų44.454%0.5425%0.248SC..THydrogen-bonded Turntrans-934.2-179.3-62.8-70.7000114L315L315-N317 PolarHBondContact O-N 2.9Å; L315-N317 VanDerWaalsContact O-N 3.14Å
318I92.3Very high96.8Very high27 Ų2746.5 Ų46.514%0.13825%0.254CS..THydrogen-bonded Turntrans-113-44.1-178.5-71.5-178.7000110.7L273 F280 L315 I468 I479L273-I318 HydrophobicContact CB-CD1 3.61Å; L273-I318 HydrophobicContact CD2-CD1 3.55Å; L273-I318 HydrophobicContact CG-CD1 3.51Å; F280-I318 HydrophobicContact CD1-CD1 4.16Å; F280-I318 HydrophobicContact CE1-CD1 4.35Å; L315-I318 HydrophobicContact CD2-CB 4.41Å; L315-I318 HydrophobicContact CD2-CD1 4.12Å; L315-I318 PolarHBondContact O-N 3.37Å; I318-I468 HydrophobicContact CG2-CD1 3.74Å; I318-I468 HydrophobicContact CG2-CG2 4.08Å; I318-I468 VanDerWaalsContact O-CD1 3.29Å; I318-I468 WeakPolarHBondContact O-CD1 3.4Å; I318-I479 HydrophobicContact CD1-CD1 4.45Å; I318-I479 HydrophobicContact CG2-CD1 4.2Å
319L94.4Very high96.8Very high12 Ų1249.8 Ų49.86%0.06328%0.275CS..SBendtrans-89.9147.4-177.5-60.9172.8000111.4L315 I323 L324 L327 L461 I465 I468L315-L319 HydrophobicContact CB-CD1 3.75Å; L315-L319 HydrophobicContact CB-CG 4.06Å; L315-L319 HydrophobicContact CD1-CD1 3.74Å; L315-L319 HydrophobicContact CD1-CG 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.38Å; L315-L319 PolarHBondContact O-N 3.45Å; L319-I323 HydrophobicContact CB-CG2 4.39Å; L319-I323 HydrophobicContact CD1-CG2 4.26Å; L319-I323 HydrophobicContact CD2-CG2 3.84Å; L319-I323 HydrophobicContact CG-CG2 4.39Å; L319-L324 HydrophobicContact CB-CB 4.11Å; L319-L324 HydrophobicContact CB-CD1 4.23Å; L319-L324 HydrophobicContact CD1-CD1 4.05Å; L319-L327 HydrophobicContact CD1-CD1 3.86Å; L319-L461 HydrophobicContact CD1-CD1 4.48Å; L319-I465 HydrophobicContact CD2-CG1 3.73Å; L319-I468 HydrophobicContact CD2-CD1 3.49Å; L319-I468 VanDerWaalsContact CD2-CD1 3.49Å
320T94.9Very high96.7Very high90 Ų9054 Ų5455%0.55230%0.3SS*.  trans-64.6153.2166.660.70000110D322 I323 L324T320-D322 PolarHBondContact O-N 2.79Å; T320-D322 VanDerWaalsContact O-N 3.15Å; T320-I323 PolarHBondContact O-N 3.37Å; T320-I323 VanDerWaalsContact O-N 3.1Å; T320-I323 WeakPolarHBondContact OG1-CG1 3.49Å; T320-L324 VanDerWaalsContact O-CB 3.3Å; T320-L324 WeakPolarHBondContact O-CB 3.41Å; T320-L324 PolarHBondContact O-N 3.21Å
321T96.2Very high96.7Very high108 Ų10853.1 Ų53.166%0.66330%0.295SS*.Hα-helixtrans-50.9-41.6-179.6-51.30000112.7L324 S325T321-L324 PolarHBondContact O-N 3.28Å; T321-S325 PolarHBondContact O-N 3.43Å
322D96.3Very high96.7Very high121 Ų12153.1 Ų53.165%0.64730%0.295SS*.Hα-helixtrans-64.6-46.4-179.9-62.9-20.1000112.1T320 S325T320-D322 PolarHBondContact O-N 2.79Å; T320-D322 VanDerWaalsContact O-N 3.15Å; D322-S325 WeakPolarHBondContact O-CB 3.28Å; D322-S325 PolarHBondContact O-N 3.46Å; D322-S325 PolarHBondContact O-OG 2.99Å
323I97.5Very high96.7Very high30 Ų3054.9 Ų54.915%0.15431%0.306CS..Hα-helixtrans-69.9-39.7178.9-62.4-59.3000110.7L319 T320 S325 Y326 L461L319-I323 HydrophobicContact CB-CG2 4.39Å; L319-I323 HydrophobicContact CD1-CG2 4.26Å; L319-I323 HydrophobicContact CD2-CG2 3.84Å; L319-I323 HydrophobicContact CG-CG2 4.39Å; T320-I323 PolarHBondContact O-N 3.37Å; T320-I323 VanDerWaalsContact O-N 3.1Å; T320-I323 WeakPolarHBondContact OG1-CG1 3.49Å; I323-S325 PolarHBondContact O-N 3.04Å; I323-Y326 HydrophobicContact CD1-CE2 4.25Å; I323-Y326 PolarHBondContact O-N 2.93Å; I323-L461 HydrophobicContact CG2-CD1 3.77Å
324L97.5Very high96.7Very high9 Ų952.7 Ų52.75%0.04729%0.286CS..Hα-helixtrans-61.2-34.4177.3-171.470.2000112A312 L315 E316 L319 T320 T321 Y326 L327A312-L324 HydrophobicContact CB-CD1 4.3Å; A312-L324 WeakPolarHBondContact O-CD1 3.3Å; L315-L324 HydrophobicContact CB-CD1 4.39Å; E316-L324 HydrophobicContact CB-CD2 4.33Å; E316-L324 HydrophobicContact CG-CD2 4.2Å; L319-L324 HydrophobicContact CB-CB 4.11Å; L319-L324 HydrophobicContact CB-CD1 4.23Å; L319-L324 HydrophobicContact CD1-CD1 4.05Å; T320-L324 VanDerWaalsContact O-CB 3.3Å; T320-L324 WeakPolarHBondContact O-CB 3.41Å; T320-L324 PolarHBondContact O-N 3.21Å; T321-L324 PolarHBondContact O-N 3.28Å; L324-Y326 PolarHBondContact O-N 2.92Å; L324-L327 PolarHBondContact O-N 3.12Å
325S97.9Very high96.6Very high42 Ų4253 Ų5329%0.29429%0.289SS..Hα-helixtrans-57-34.1-179.177.50000112.8T321 D322 I323 L327 K328 C331T321-S325 PolarHBondContact O-N 3.43Å; D322-S325 WeakPolarHBondContact O-CB 3.28Å; D322-S325 PolarHBondContact O-N 3.46Å; D322-S325 PolarHBondContact O-OG 2.99Å; I323-S325 PolarHBondContact O-N 3.04Å; S325-L327 PolarHBondContact O-N 3.31Å; S325-L327 VanDerWaalsContact O-N 3.15Å; S325-K328 WeakPolarHBondContact O-CB 3.37Å; S325-K328 PolarHBondContact O-N 3.29Å; S325-C331 WeakPolarHBondContact O-CB 3.19Å; S325-C331 PolarHBondContact O-SG 3.19Å
326Y98.3Very high96.6Very high49 Ų4954 Ų5419%0.19230%0.296CS..THydrogen-bonded Turntrans-65.7-16178.8-61-48.1000114.3I323 L324 I332 N457 N460 L461I323-Y326 HydrophobicContact CD1-CE2 4.25Å; I323-Y326 PolarHBondContact O-N 2.93Å; L324-Y326 PolarHBondContact O-N 2.92Å; Y326-I332 WeakPolarHBondContact O-CD1 3.37Å; Y326-I332 WeakPolarHBondContact O-CG1 3.12Å; Y326-N457 HydrophobicContact CD1-CB 3.62Å; Y326-N457 HydrophobicContact CE1-CB 4.01Å; Y326-N457 WeakPolarHBondContact CE1-OD1 3.37Å; Y326-N457 HydrophobicContact CG-CB 4.19Å; Y326-N460 HydrophobicContact CD2-CB 4.27Å; Y326-N460 HydrophobicContact CE2-CB 3.6Å; Y326-N460 PolarHBondContact OH-ND2 2.87Å; Y326-L461 HydrophobicContact CD2-CB 4.17Å
327L98.4Very high96.6Very high0 Ų048.7 Ų48.70%027%0.273CS..THydrogen-bonded Turntrans-92.2-16.7175.3-72.5167.1000113.1S308 T311 A312 L315 L319 L324 S325 L461 L481 Y486S308-L327 CarbonylContact C-O 3.5Å; S308-L327 VanDerWaalsContact CB-O 3.29Å; S308-L327 WeakPolarHBondContact CB-O 3.43Å; S308-L327 PolarHBondContact OG-O 2.54Å; S308-L327 VanDerWaalsContact OG-O 3.05Å; T311-L327 HydrophobicContact CG2-CD1 3.98Å; T311-L327 HydrophobicContact CG2-CD2 4.19Å; A312-L327 HydrophobicContact CB-CB 3.69Å; L315-L327 HydrophobicContact CD1-CD1 4.27Å; L319-L327 HydrophobicContact CD1-CD1 3.86Å; L324-L327 PolarHBondContact O-N 3.12Å; S325-L327 PolarHBondContact O-N 3.31Å; S325-L327 VanDerWaalsContact O-N 3.15Å; L327-L461 HydrophobicContact CD1-CD1 4.09Å; L327-L461 HydrophobicContact CD2-CD2 3.61Å; L327-L461 HydrophobicContact CG-CD1 3.94Å; L327-L461 HydrophobicContact CG-CD2 3.79Å; L327-L481 HydrophobicContact CD2-CD1 4.34Å; L327-Y486 HydrophobicContact CD2-CE1 3.67Å
328K98.1Very high96.9Very high78 Ų7843.9 Ų43.934%0.33925%0.247SC..SBendtrans-77.6157.7-172.9-66.8-173.3178.4-176.80111.8A312 S325 D330 C331 I332A312-K328 HydrophobicContact CB-CG 4.27Å; S325-K328 WeakPolarHBondContact O-CB 3.37Å; S325-K328 PolarHBondContact O-N 3.29Å; K328-D330 PolarHBondContact O-N 2.75Å; K328-C331 PolarHBondContact O-N 2.71Å; K328-I332 PolarHBondContact O-N 3.27Å
329P97.6Very high97.1Very high68 Ų6842.7 Ų42.744%0.44224%0.241SC..THydrogen-bonded Turntrans-53-26.4178.9-3037.3000115.6F309 C331 I332 P333F309-P329 HydrophobicContact CB-CG 4.21Å; P329-C331 VanDerWaalsContact C-N 3.31Å; P329-C331 PolarHBondContact O-N 3.39Å; P329-I332 WeakPolarHBondContact CA-O 3.49Å; P329-I332 CarbonylContact O-C 3.56Å; P329-I332 VanDerWaalsContact O-C 3.28Å; P329-P333 WeakPolarHBondContact O-CA 3.36Å; P329-P333 WeakPolarHBondContact O-CD 3.37Å; P329-P333 WeakPolarHBondContact O-CG 3.29Å
330D96.4Very high97.3Very high148 Ų14842.1 Ų42.179%0.79124%0.238SC*.THydrogen-bonded Turntrans-66.8-32.5176.8-59.3-27.9000112.7K328K328-D330 PolarHBondContact O-N 2.75Å
331C97.8Very high97.5Very high27 Ų2737.8 Ų37.818%0.18221%0.211CC..THydrogen-bonded Turntrans-97.3-27.7177.1-75.20000113S325 K328 P329 P451S325-C331 WeakPolarHBondContact O-CB 3.19Å; S325-C331 PolarHBondContact O-SG 3.19Å; K328-C331 PolarHBondContact O-N 2.71Å; P329-C331 VanDerWaalsContact C-N 3.31Å; P329-C331 PolarHBondContact O-N 3.39Å; C331-P451 WeakPolarHBondContact O-CD 3.26Å; C331-P451 VanDerWaalsContact O-CG 3.27Å; C331-P451 WeakPolarHBondContact O-CG 3.5Å
332I97.7Very high97.5Very high0 Ų032.7 Ų32.70%018%0.18CC..SBendtrans-13282.8175.3-51.3172.5000108.1Y326 K328 P329 W334 P448 M458Y326-I332 WeakPolarHBondContact O-CD1 3.37Å; Y326-I332 WeakPolarHBondContact O-CG1 3.12Å; K328-I332 PolarHBondContact O-N 3.27Å; P329-I332 WeakPolarHBondContact CA-O 3.49Å; P329-I332 CarbonylContact O-C 3.56Å; P329-I332 VanDerWaalsContact O-C 3.28Å; I332-W334 PolarHBondContact O-NE1 2.88Å; I332-P448 HydrophobicContact CG2-CB 3.9Å; I332-M458 HydrophobicContact CD1-CE 3.68Å; I332-M458 HydrophobicContact CD1-SD 4.26Å; I332-M458 HydrophobicContact CG1-CE 4.11Å
333P98Very high97.6Very high43 Ų4326.9 Ų26.928%0.27915%0.149SC..  trans-62.5155.6175.2-20.331.6000111.3P329 P448 Q449P329-P333 WeakPolarHBondContact O-CA 3.36Å; P329-P333 WeakPolarHBondContact O-CD 3.37Å; P329-P333 WeakPolarHBondContact O-CG 3.29Å; P333-P448 CarbonylContact O-C 3.56Å; P333-Q449 HydrophobicContact CB-CB 4.27Å; P333-Q449 WeakPolarHBondContact CD-O 3.34Å; P333-Q449 PolarHBondContact O-N 3.33Å
334W97.5Very high97.5Very high32 Ų3225.5 Ų25.512%0.12114%0.142CC..EExtended strand (participates in β ladder)trans-125.5134.1177.6-73.774.2000111.1P307 S308 F309 I332 N445 I447 P448 S485P307-W334 HydrophobicContact CB-CH2 3.79Å; P307-W334 HydrophobicContact CB-CZ2 3.78Å; P307-W334 HydrophobicContact CB-CZ3 4.43Å; P307-W334 HydrophobicContact CG-CH2 4.3Å; S308-W334 PolarHBondContact OG-NE1 3.11Å; S308-W334 VanDerWaalsContact OG-NE1 3.09Å; F309-W334 AromaticContact CD1-CD1 3.73Å; F309-W334 HydrophobicContact CD1-CD2 4.27Å; F309-W334 AromaticContact CD1-CE2 3.96Å; F309-W334 HydrophobicContact CD1-CG 4.13Å; F309-W334 AromaticContact CD1-NE1 3.64Å; F309-W334 AromaticContact CE1-CD2 3.83Å; F309-W334 HydrophobicContact CE1-CD2 3.83Å; F309-W334 AromaticContact CE1-CE2 3.84Å; F309-W334 HydrophobicContact CE1-CE3 4.39Å; F309-W334 AromaticContact CE1-CG 3.95Å; F309-W334 HydrophobicContact CE1-CG 3.95Å; F309-W334 HydrophobicContact CE1-CZ2 4.4Å; F309-W334 AromaticContact CE1-NE1 3.97Å; I332-W334 PolarHBondContact O-NE1 2.88Å; W334-N445 HydrophobicContact CB-CB 3.86Å; W334-N445 VanDerWaalsContact CE3-C 3.49Å; W334-N445 HydrophobicContact CG-CB 4.43Å; W334-N445 WeakPolarHBondContact CZ3-O 3.21Å; W334-I447 CarbonylContact C-O 3.46Å; W334-I447 WeakPolarHBondContact CA-O 3.5Å; W334-I447 VanDerWaalsContact CE3-C 3.5Å; W334-P448 HydrophobicContact CD2-CB 3.97Å; W334-P448 HydrophobicContact CE3-CB 4.15Å; W334-P448 HydrophobicContact CE3-CG 4.43Å; W334-P448 HydrophobicContact CH2-CB 4.06Å; W334-P448 HydrophobicContact CH2-CG 3.94Å; W334-P448 HydrophobicContact CZ2-CB 3.8Å; W334-P448 HydrophobicContact CZ2-CG 4.15Å; W334-P448 HydrophobicContact CZ3-CB 4.23Å; W334-P448 HydrophobicContact CZ3-CG 4.1Å; W334-S485 WeakPolarHBondContact CZ2-OG 3.48Å
335G96.3Very high97.1Very high7 Ų727 Ų277%0.07215%0.15CC..EExtended strand (participates in β ladder)trans-87.8147.5171.700000111.6N445 C446 I447G335-N445 CarbonylContact O-C 3.43Å; G335-N445 VanDerWaalsContact O-CA 3.31Å; G335-N445 WeakPolarHBondContact O-CA 3.41Å; G335-C446 PolarHBondContact O-N 2.79Å; G335-I447 PolarHBondContact N-O 3.43Å; G335-I447 PolarHBondContact O-N 3.46Å
336S96.9Very high96.3Very high21 Ų2128.6 Ų28.615%0.14716%0.155CC..EExtended strand (participates in β ladder)trans-107.7150.6166.7-59.30000109.6P395 L443 R444 N445S336-P395 VanDerWaalsContact C-CD 3.5Å; S336-P395 WeakPolarHBondContact O-CD 3.38Å; S336-L443 CarbonylContact C-O 3.6Å; S336-L443 VanDerWaalsContact CA-O 3.22Å; S336-L443 WeakPolarHBondContact CA-O 3.43Å; S336-L443 WeakPolarHBondContact CB-O 3.27Å; S336-R444 WeakPolarHBondContact OG-CA 3.47Å; S336-N445 PolarHBondContact OG-N 3.29Å
337V97.5Very high95.5Very high10 Ų1030.8 Ų30.86%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-134142-177.6177.30000109.6A173 L368 M392 M393 L443 I447A173-V337 HydrophobicContact CB-CG2 3.5Å; V337-L368 HydrophobicContact CG1-CD1 4.32Å; V337-L368 HydrophobicContact CG2-CD1 4.27Å; V337-M392 HydrophobicContact CG1-SD 3.92Å; V337-M393 CarbonylContact C-O 3.56Å; V337-M393 WeakPolarHBondContact CA-O 3.31Å; V337-L443 PolarHBondContact N-O 3.48Å; V337-L443 WeakPolarHBondContact O-CA 3.21Å; V337-L443 WeakPolarHBondContact O-CB 3.32Å; V337-L443 PolarHBondContact O-N 3.48Å; V337-I447 HydrophobicContact CG2-CD1 3.85Å
338V97.5Very high94.9Very high0 Ų032.5 Ų32.50%019%0.185CC..EExtended strand (participates in β ladder)trans-99.6126.7162.8-178.40000108.3M392 M393 P395 W399 I416 S441 I442V338-M392 WeakPolarHBondContact O-CA 3.4Å; V338-M393 HydrophobicContact CB-CB 4.28Å; V338-M393 HydrophobicContact CB-CE 4.35Å; V338-M393 HydrophobicContact CG1-CE 3.89Å; V338-M393 PolarHBondContact N-O 2.91Å; V338-M393 PolarHBondContact O-N 2.85Å; V338-P395 HydrophobicContact CG2-CB 3.56Å; V338-P395 HydrophobicContact CG2-CG 4.37Å; V338-W399 HydrophobicContact CG2-CE3 3.9Å; V338-W399 HydrophobicContact CG2-CZ3 4.14Å; V338-I416 HydrophobicContact CG1-CD1 4.1Å; V338-I416 HydrophobicContact CG1-CG2 3.61Å; V338-S441 CarbonylContact C-O 3.28Å; V338-S441 VanDerWaalsContact CA-O 3.31Å; V338-S441 WeakPolarHBondContact CA-O 3.4Å; V338-I442 HydrophobicContact CG2-CG1 4.11Å
339S97.4Very high94.4Very high1 Ų134 Ų341%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-107.3114.9171-1780000108.1I60 T390 I440 S441I60-S339 PolarHBondContact O-OG 3.47Å; S339-T390 WeakPolarHBondContact OG-CG2 3.36Å; S339-I440 WeakPolarHBondContact O-CA 3.21Å; S339-S441 PolarHBondContact N-O 3.44Å; S339-S441 PolarHBondContact O-N 3.34Å
340A98.1Very high94.1Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-113.294.217600000109.5T390 V391 M393 I416 A420 I440A340-T390 WeakPolarHBondContact O-CA 3.33Å; A340-V391 HydrophobicContact CB-CB 4.4Å; A340-V391 PolarHBondContact N-O 2.75Å; A340-V391 PolarHBondContact O-N 3.38Å; A340-M393 HydrophobicContact CB-CE 3.88Å; A340-I416 HydrophobicContact CB-CG2 4.09Å; A340-A420 HydrophobicContact CB-CB 3.75Å; A340-I440 HydrophobicContact CB-CD1 3.56Å
341V98.1Very high93.9Very high0 Ų031 Ų310%018%0.182CC..EExtended strand (participates in β ladder)trans-83120.2175.9-167.60000108.5Y58 I60 T390 R438 H439Y58-V341 HydrophobicContact CD1-CG1 3.64Å; Y58-V341 HydrophobicContact CD2-CG1 4.37Å; Y58-V341 HydrophobicContact CE1-CG1 4.21Å; Y58-V341 HydrophobicContact CG-CB 4.39Å; Y58-V341 HydrophobicContact CG-CG1 3.73Å; I60-V341 HydrophobicContact CD1-CG2 3.97Å; V341-T390 HydrophobicContact CG2-CG2 4.1Å; V341-T390 WeakPolarHBondContact CG2-OG1 3.5Å; V341-R438 CarbonylContact O-C 3.41Å; V341-R438 WeakPolarHBondContact O-CA 3.33Å; V341-H439 HydrophobicContact CB-CB 4.28Å; V341-H439 HydrophobicContact CG2-CB 4.48Å; V341-H439 PolarHBondContact N-O 3.35Å; V341-H439 PolarHBondContact O-N 3.4Å
342L97.6Very high93.7Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-119.6117.6179.9-56.9-176.5000109.3R388 Y389 E417 A420 K421 L424 I435 R438 I440L342-R388 WeakPolarHBondContact O-CA 3.31Å; L342-Y389 PolarHBondContact N-O 2.82Å; L342-Y389 PolarHBondContact O-N 3.42Å; L342-E417 HydrophobicContact CD2-CG 3.89Å; L342-A420 HydrophobicContact CD1-CB 3.68Å; L342-A420 HydrophobicContact CG-CB 4.4Å; L342-K421 HydrophobicContact CD1-CG 4.12Å; L342-L424 HydrophobicContact CB-CD1 4.39Å; L342-L424 HydrophobicContact CD1-CD1 3.78Å; L342-L424 HydrophobicContact CD1-CG 4.47Å; L342-I435 HydrophobicContact CB-CD1 3.9Å; L342-I435 HydrophobicContact CD1-CD1 3.93Å; L342-I435 HydrophobicContact CD2-CD1 4.18Å; L342-I435 HydrophobicContact CG-CD1 4.21Å; L342-R438 HydrophobicContact CD2-CB 4.09Å; L342-I440 HydrophobicContact CD2-CD1 4.49Å
343E96.6Very high93.6Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-93.1119.2167.4-172.2176.2-158.900108.2N51 T54 S56 Y58 K386 L387 R388 V436 G437N51-E343 PolarHBondContact ND2-OE2 3.09Å; T54-E343 WeakPolarHBondContact CB-OE1 3.4Å; T54-E343 WeakPolarHBondContact CG2-OE2 3.09Å; T54-E343 PolarHBondContact OG1-OE1 3.11Å; T54-E343 PolarHBondContact OG1-OE2 3.3Å; S56-E343 WeakPolarHBondContact CB-OE1 3.36Å; S56-E343 PolarHBondContact OG-OE1 3.02Å; Y58-E343 HydrophobicContact CE1-CB 4.15Å; Y58-E343 VanDerWaalsContact OH-CB 3.28Å; Y58-E343 WeakPolarHBondContact OH-CB 3.29Å; Y58-E343 PolarHBondContact OH-OE2 3.34Å; E343-K386 HydrophobicContact CG-CB 3.63Å; E343-K386 WeakPolarHBondContact OE1-CB 3.4Å; E343-L387 CarbonylContact C-O 3.37Å; E343-L387 WeakPolarHBondContact CA-O 3.48Å; E343-R388 HydrophobicContact CB-CG 4.25Å; E343-R388 HydrophobicContact CG-CG 4.09Å; E343-V436 HydrophobicContact CB-CG2 4.25Å; E343-V436 HydrophobicContact CG-CG2 3.76Å; E343-V436 WeakPolarHBondContact O-CG2 3.34Å; E343-V436 PolarHBondContact O-N 3.46Å; E343-G437 PolarHBondContact N-O 2.91Å; E343-G437 PolarHBondContact O-N 3.15Å
344I95.4Very high93.4Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-115.6149.8-175.261.9176.7000111.8F348 K386 L387 Y389 I430 P433 V434 I435I344-F348 HydrophobicContact CD1-CE1 3.45Å; I344-F348 VanDerWaalsContact CD1-CE1 3.45Å; I344-F348 HydrophobicContact CD1-CZ 3.54Å; I344-F348 HydrophobicContact CG1-CE1 4.09Å; I344-F348 HydrophobicContact CG1-CZ 4.48Å; I344-K386 WeakPolarHBondContact O-CB 3.39Å; I344-L387 HydrophobicContact CD1-CB 4.46Å; I344-L387 HydrophobicContact CG1-CB 3.9Å; I344-L387 WeakPolarHBondContact CG1-O 3.27Å; I344-L387 PolarHBondContact N-O 3.12Å; I344-L387 PolarHBondContact O-N 2.63Å; I344-L387 VanDerWaalsContact O-N 3.12Å; I344-Y389 HydrophobicContact CD1-CD2 3.74Å; I344-Y389 HydrophobicContact CD1-CE2 3.51Å; I344-Y389 HydrophobicContact CG1-CD2 4.12Å; I344-Y389 HydrophobicContact CG1-CE2 4.07Å; I344-I430 HydrophobicContact CD1-CD1 3.87Å; I344-I430 HydrophobicContact CD1-CG2 4.29Å; I344-P433 HydrophobicContact CG2-CB 3.92Å; I344-V434 VanDerWaalsContact CA-O 3.3Å; I344-V434 WeakPolarHBondContact CA-O 3.32Å; I344-I435 HydrophobicContact CG2-CD1 3.55Å
345D90.8Very high93.3Very high41 Ų4136 Ų3622%0.21920%0.197CC..  trans-58.6143.5172.4-169.158.2000112.2S347 F348 K386 V434 V436D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.23Å; D345-S347 WeakPolarHBondContact OD2-CB 3.29Å; D345-S347 PolarHBondContact OD2-N 3.46Å; D345-S347 PolarHBondContact OD2-OG 3.45Å; D345-F348 WeakPolarHBondContact O-CD1 3.04Å; D345-F348 WeakPolarHBondContact O-CE1 3.36Å; D345-K386 IonicContact OD1-NZ 3.95Å; D345-K386 PolarHBondContact OD1-NZ 3.38Å; D345-V434 HydrophobicContact CB-CB 4.04Å; D345-V434 HydrophobicContact CB-CG1 4.45Å; D345-V434 PolarHBondContact N-O 3.1Å; D345-V436 HydrophobicContact CB-CG1 4.15Å
346D79.8Confident93.4Very high76 Ų7635.9 Ų35.941%0.40620%0.195SC..SBendtrans-92.220.3-176.866.3-38.4000113.1F348 K386D346-F348 PolarHBondContact O-N 2.9Å; D346-K386 IonicContact OD1-NZ 2.71Å; D346-K386 PolarHBondContact OD1-NZ 3.35Å
347S82.2Confident93.4Very high95 Ų9535 Ų3566%0.66419%0.189SC*.SBendtrans-65.10.8175.244.80000114.9D345D345-S347 VanDerWaalsContact C-N 3.3Å; D345-S347 PolarHBondContact O-N 3.23Å; D345-S347 WeakPolarHBondContact OD2-CB 3.29Å; D345-S347 PolarHBondContact OD2-N 3.46Å; D345-S347 PolarHBondContact OD2-OG 3.45Å
348F85Confident93.4Very high35 Ų3536.2 Ų36.215%0.15420%0.195CC..SBendtrans-127.8158177.477.6-77.9000111.5I344 D345 D346 P350 L387 I430I344-F348 HydrophobicContact CD1-CE1 3.45Å; I344-F348 VanDerWaalsContact CD1-CE1 3.45Å; I344-F348 HydrophobicContact CD1-CZ 3.54Å; I344-F348 HydrophobicContact CG1-CE1 4.09Å; I344-F348 HydrophobicContact CG1-CZ 4.48Å; D345-F348 WeakPolarHBondContact O-CD1 3.04Å; D345-F348 WeakPolarHBondContact O-CE1 3.36Å; D346-F348 PolarHBondContact O-N 2.9Å; F348-P350 HydrophobicContact CD2-CG 4.46Å; F348-P350 HydrophobicContact CE2-CB 4.14Å; F348-P350 HydrophobicContact CE2-CG 3.78Å; F348-P350 HydrophobicContact CZ-CG 4.14Å; F348-P350 WeakPolarHBondContact O-CD 3.18Å; F348-L387 HydrophobicContact CE1-CD1 4.03Å; F348-L387 HydrophobicContact CE2-CD1 4.44Å; F348-L387 HydrophobicContact CZ-CD1 3.67Å; F348-I430 HydrophobicContact CD1-CG2 4.2Å; F348-I430 HydrophobicContact CD2-CG1 4.44Å; F348-I430 HydrophobicContact CD2-CG2 4.21Å; F348-I430 HydrophobicContact CE1-CG2 3.92Å; F348-I430 HydrophobicContact CE2-CB 4.33Å; F348-I430 HydrophobicContact CE2-CD1 3.98Å; F348-I430 HydrophobicContact CE2-CG1 3.66Å; F348-I430 HydrophobicContact CE2-CG2 3.92Å; F348-I430 HydrophobicContact CG-CG2 4.35Å; F348-I430 HydrophobicContact CZ-CB 4.49Å; F348-I430 HydrophobicContact CZ-CD1 3.76Å; F348-I430 HydrophobicContact CZ-CG1 3.91Å; F348-I430 HydrophobicContact CZ-CG2 3.78Å
349T88.4Confident93.4Very high110 Ų11036.2 Ų36.268%0.67520%0.195SC*.  trans-93.4120171-60.70000109.8L351T349-L351 PolarHBondContact O-N 3.34Å
350P91.7Very high93.3Very high18 Ų1836.1 Ų36.112%0.11719%0.194CC..  trans-62.5121.2177.2-26.237000111.9F348 V352 F375 L387F348-P350 HydrophobicContact CD2-CG 4.46Å; F348-P350 HydrophobicContact CE2-CB 4.14Å; F348-P350 HydrophobicContact CE2-CG 3.78Å; F348-P350 HydrophobicContact CZ-CG 4.14Å; F348-P350 WeakPolarHBondContact O-CD 3.18Å; P350-V352 VanDerWaalsContact C-N 3.3Å; P350-F375 HydrophobicContact CB-CE2 4.28Å; P350-F375 HydrophobicContact CB-CZ 3.84Å; P350-F375 HydrophobicContact CG-CE2 4.47Å; P350-F375 HydrophobicContact CG-CZ 3.93Å; P350-L387 HydrophobicContact CG-CD1 3.28Å
351L92.3Very high93.1Very high135 Ų13538.9 Ų38.971%0.70721%0.205SC*.SBendtrans-73.1-25.3178.7-63.3179000112.6T349 K429T349-L351 PolarHBondContact O-N 3.34Å; L351-K429 HydrophobicContact CD1-CB 4.08Å
352V93.6Very high92.8Very high41 Ų4142.3 Ų42.325%0.24823%0.226CC..  trans-126.5134.7-179.2-175.10000109.6L101 L108 P350 Y372L101-V352 HydrophobicContact CD1-CG1 3.49Å; L101-V352 VanDerWaalsContact CD1-CG1 3.49Å; L108-V352 HydrophobicContact CD1-CB 4.33Å; L108-V352 HydrophobicContact CD1-CG1 4.04Å; L108-V352 HydrophobicContact CD1-CG2 3.96Å; P350-V352 VanDerWaalsContact C-N 3.3Å; V352-Y372 HydrophobicContact CG1-CE2 4.13Å
353R94.8Very high92.7Very high119 Ų11945 Ų4545%0.44924%0.238SC..  trans-130.6137.5177.8-54.4-172.6175-171.2-2.5109.6D96 F375D96-R353 HydrophobicContact CB-CB 4.05Å; D96-R353 VanDerWaalsContact OD2-CD 3.24Å; D96-R353 WeakPolarHBondContact OD2-CD 3.36Å; D96-R353 IonicContact OD2-NH1 3.92Å; R353-F375 HydrophobicContact CB-CD1 3.92Å; R353-F375 HydrophobicContact CB-CE1 3.91Å; R353-F375 HydrophobicContact CB-CG 4.36Å; R353-F375 HydrophobicContact CB-CZ 4.31Å; R353-F375 VanDerWaalsContact CD-CE1 3.42Å; R353-F375 HydrophobicContact CG-CD1 4.01Å; R353-F375 HydrophobicContact CG-CE1 3.46Å; R353-F375 VanDerWaalsContact CG-CE1 3.46Å; R353-F375 HydrophobicContact CG-CE2 4.43Å; R353-F375 HydrophobicContact CG-CZ 3.69Å
354G95Very high92.7Very high0 Ų047.7 Ų47.70%025%0.253CS..SBendtrans-179.6178.3-172.300000112.5D96 K99 Y372 F375D96-G354 CarbonylContact O-C 3.21Å; D96-G354 WeakPolarHBondContact O-CA 3.5Å; K99-G354 CarbonylContact O-C 3.47Å; K99-G354 WeakPolarHBondContact O-CA 3.5Å; G354-Y372 WeakPolarHBondContact O-CD2 3.27Å; G354-F375 WeakPolarHBondContact O-CB 3.5Å
355F95.3Very high92.5Very high48 Ų4855.2 Ų55.221%0.21129%0.288CS..SBendtrans-59.5-41.8160.2178.9-115000111.1M91 D96 G97 K99 Q100 Y372 A376M91-F355 HydrophobicContact CE-CD2 3.35Å; M91-F355 HydrophobicContact CE-CE2 3.58Å; M91-F355 HydrophobicContact SD-CD2 4.18Å; D96-F355 PolarHBondContact O-N 3.26Å; G97-F355 VanDerWaalsContact O-CB 3.3Å; G97-F355 WeakPolarHBondContact O-CB 3.44Å; K99-F355 WeakPolarHBondContact O-CB 3.4Å; K99-F355 PolarHBondContact O-N 3.44Å; Q100-F355 HydrophobicContact CG-CB 4.24Å; Q100-F355 HydrophobicContact CG-CD1 4.32Å; F355-Y372 PolarHBondContact O-N 3.45Å; F355-A376 HydrophobicContact CD2-CB 3.77Å; F355-A376 HydrophobicContact CE2-CB 4.08Å
356G96.9Very high92.8Very high3 Ų354.3 Ų54.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans153.1-176.8-167.900000111.2L101 V370L101-G356 PolarHBondContact N-O 3.08Å; G356-V370 CarbonylContact C-O 3.58Å; G356-V370 WeakPolarHBondContact CA-O 3.3Å
357H97.6Very high93.6Very high3 Ų350.9 Ų50.91%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-133152174.167.3-86.2000112.4L101 L108 G369 V370 Y372 H427L101-H357 HydrophobicContact CB-CB 3.77Å; L101-H357 WeakPolarHBondContact O-CA 3.46Å; L108-H357 HydrophobicContact CD2-CB 3.57Å; H357-G369 CarbonylContact O-C 3.55Å; H357-G369 WeakPolarHBondContact O-CA 3.21Å; H357-V370 WeakPolarHBondContact CE1-CB 3.31Å; H357-V370 WeakPolarHBondContact CE1-CG2 3.13Å; H357-V370 PolarHBondContact N-O 3.08Å; H357-V370 PolarHBondContact O-N 3.4Å; H357-Y372 AromaticContact CE1-CE1 3.95Å; H357-Y372 AromaticContact ND1-CE1 3.33Å; H357-Y372 VanDerWaalsContact ND1-CE1 3.33Å; H357-Y372 WeakPolarHBondContact ND1-CE1 3.49Å; H357-Y372 AromaticContact ND1-CZ 3.42Å; H357-Y372 PolarHBondContact ND1-OH 3.19Å; H357-H427 AromaticContact CD2-ND1 3.91Å; H357-H427 AromaticContact CE1-ND1 3.81Å; H357-H427 AromaticContact NE2-CE1 3.99Å; H357-H427 AromaticContact NE2-CG 3.76Å; H357-H427 AromaticContact NE2-ND1 2.93Å; H357-H427 PolarHBondContact NE2-ND1 3.41Å
358L97.3Very high94.4Very high35 Ų3546.7 Ų46.718%0.18323%0.234CC..EExtended strand (participates in β ladder)trans-105.6149.7172.8-61.3174.8000110.2L101 M102 Y103 M111 A166L101-L358 PolarHBondContact O-N 2.82Å; M102-L358 VanDerWaalsContact CA-O 3.31Å; M102-L358 WeakPolarHBondContact CA-O 3.41Å; Y103-L358 PolarHBondContact N-O 3.32Å; M111-L358 HydrophobicContact CE-CD1 3.88Å; M111-L358 HydrophobicContact SD-CD1 4.34Å; A166-L358 HydrophobicContact CB-CB 3.84Å; A166-L358 WeakPolarHBondContact O-CD1 3.5Å
359V97.2Very high95Very high0 Ų045.2 Ų45.20%023%0.229CC..  trans-111.8114.5179.2-175.20000108.8R169 E363 D364 I367 L368R169-V359 WeakPolarHBondContact CD-O 3.37Å; R169-V359 PolarHBondContact NH1-O 2.89Å; V359-E363 HydrophobicContact CG1-CB 3.85Å; V359-D364 HydrophobicContact CG1-CB 3.88Å; V359-I367 HydrophobicContact CB-CG2 4.49Å; V359-I367 WeakPolarHBondContact CB-O 3.39Å; V359-I367 HydrophobicContact CG2-CB 4.37Å; V359-I367 HydrophobicContact CG2-CG2 3.8Å; V359-L368 PolarHBondContact N-O 3.2Å
360P95Very high95.5Very high0 Ų040.1 Ų40.10%020%0.197CC..  trans-63.2155174.6-15.326.6000112.4Y103 I104 Y162 A166 R169 T362 E363Y103-P360 WeakPolarHBondContact O-CD 3.41Å; I104-P360 HydrophobicContact CD1-CG 4.28Å; I104-P360 HydrophobicContact CG1-CG 4.01Å; Y162-P360 HydrophobicContact CD1-CB 4.32Å; Y162-P360 HydrophobicContact CD1-CG 4.24Å; A166-P360 HydrophobicContact CB-CB 4.35Å; A166-P360 HydrophobicContact CB-CG 4.04Å; R169-P360 PolarHBondContact NH1-O 3.24Å; P360-T362 PolarHBondContact O-N 2.72Å; P360-T362 VanDerWaalsContact O-N 3.14Å; P360-E363 HydrophobicContact CB-CG 4.39Å; P360-E363 HydrophobicContact CG-CG 4.21Å; P360-E363 PolarHBondContact O-N 3.2Å; P360-E363 VanDerWaalsContact O-N 3.08Å
361R94.2Very high95.8Very high58 Ų5840.3 Ų40.322%0.21920%0.197CC..THydrogen-bonded Turntrans-56.3-30.6179.2178-175.263.1-124.5-8.5113.1D161 S165 R169 D175 R177 E363D161-R361 IonicContact OD1-NH2 3.44Å; S165-R361 WeakPolarHBondContact OG-CB 3.35Å; S165-R361 PolarHBondContact OG-N 2.91Å; R169-R361 VanDerWaalsContact NH1-N 3.17Å; D175-R361 IonicContact OD1-CZ 2.68Å; D175-R361 IonicContact OD1-NH1 3.44Å; D175-R361 PolarHBondContact OD1-NH1 3.18Å; D175-R361 VanDerWaalsContact OD2-CD 3.25Å; D175-R361 WeakPolarHBondContact OD2-CD 3.42Å; D175-R361 IonicContact OD2-CZ 2.74Å; D175-R361 IonicContact OD2-NE 2.65Å; D175-R361 IonicContact OD2-NH1 3.3Å; D175-R361 PolarHBondContact OD2-NH1 3.26Å; R177-R361 VanDerWaalsContact NE-NH1 3.17Å; R361-E363 PolarHBondContact O-N 3.49Å
362T92.7Very high96Very high72 Ų7233.9 Ų33.944%0.44216%0.164SC..THydrogen-bonded Turntrans-66.4-22.5-17954.90000113.4D161 Y162 P360D161-T362 HydrophobicContact CB-CG2 4.38Å; Y162-T362 WeakPolarHBondContact CE1-OG1 3.37Å; P360-T362 PolarHBondContact O-N 2.72Å; P360-T362 VanDerWaalsContact O-N 3.14Å
363E95.1Very high96.2Very high57 Ų5732.3 Ų32.327%0.26615%0.154SC..THydrogen-bonded Turntrans-94.7-42.8-173.7-54.4-56.9123.900112.1Y103 I104 N105 V359 P360 R361Y103-E363 WeakPolarHBondContact O-CG 3.34Å; I104-E363 HydrophobicContact CG2-CG 4.49Å; N105-E363 PolarHBondContact N-OE2 3.02Å; V359-E363 HydrophobicContact CG1-CB 3.85Å; P360-E363 HydrophobicContact CB-CG 4.39Å; P360-E363 HydrophobicContact CG-CG 4.21Å; P360-E363 PolarHBondContact O-N 3.2Å; P360-E363 VanDerWaalsContact O-N 3.08Å; R361-E363 PolarHBondContact O-N 3.49Å
364D95.6Very high96.3Very high56 Ų5627 Ų2730%0.29914%0.135SC..  trans-157.4130.8-177.2-170.2-59.8000109.1R169 V359 H366 I367R169-D364 PolarHBondContact NH1-O 2.99Å; R169-D364 PolarHBondContact NH2-O 3.44Å; V359-D364 HydrophobicContact CG1-CB 3.88Å; D364-H366 VanDerWaalsContact OD1-CA 3.31Å; D364-H366 WeakPolarHBondContact OD1-CA 3.44Å; D364-H366 VanDerWaalsContact OD1-CB 3.31Å; D364-H366 WeakPolarHBondContact OD1-CB 3.48Å; D364-H366 PolarHBondContact OD1-N 2.96Å; D364-I367 HydrophobicContact CB-CB 4.34Å; D364-I367 PolarHBondContact OD1-N 3.42Å
365E92.4Very high96.3Very high158 Ų15828.3 Ų28.374%0.73814%0.14SC*.SBendtrans-77.4-22.1-179.363.9177.6179.700114.1R169R169-E365 PolarHBondContact NH2-O 2.95Å
366H95.6Very high96.3Very high21 Ų2126.2 Ų26.210%0.09713%0.132CC..SBendtrans-99.3-51-169.2-179.965.5000111.9D364 L368 M393 K394 L396 W399D364-H366 VanDerWaalsContact OD1-CA 3.31Å; D364-H366 WeakPolarHBondContact OD1-CA 3.44Å; D364-H366 VanDerWaalsContact OD1-CB 3.31Å; D364-H366 WeakPolarHBondContact OD1-CB 3.48Å; D364-H366 PolarHBondContact OD1-N 2.96Å; H366-L368 PolarHBondContact O-N 2.85Å; H366-M393 PolarHBondContact NE2-SD 2.99Å; H366-M393 CarbonylContact O-C 3.52Å; H366-M393 WeakPolarHBondContact O-CA 3.38Å; H366-K394 PolarHBondContact CE1-O 2.83Å; H366-K394 PolarHBondContact ND1-O 3.36Å; H366-K394 PolarHBondContact O-N 3Å; H366-L396 WeakPolarHBondContact ND1-CD2 3.3Å; H366-W399 AromaticContact CE1-CE3 3.99Å; H366-W399 AromaticContact CE1-CH2 3.5Å; H366-W399 VanDerWaalsContact CE1-CH2 3.5Å; H366-W399 WeakPolarHBondContact CE1-CH2 3.47Å; H366-W399 AromaticContact CE1-CZ3 3.25Å; H366-W399 WeakPolarHBondContact CE1-CZ3 3.39Å; H366-W399 AromaticContact NE2-CH2 3.13Å; H366-W399 WeakPolarHBondContact NE2-CH2 3.37Å; H366-W399 AromaticContact NE2-CZ3 3.3Å; H366-W399 VanDerWaalsContact NE2-CZ3 3.3Å; H366-W399 WeakPolarHBondContact NE2-CZ3 3.37Å
367I98.2Very high96.3Very high4 Ų426.5 Ų26.52%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-73.7124.4-178.2-51.3-54.1000110.4R169 V359 D364 M393 V419 V423R169-I367 PolarHBondContact NH1-O 2.93Å; R169-I367 PolarHBondContact NH2-O 3.31Å; V359-I367 HydrophobicContact CB-CG2 4.49Å; V359-I367 WeakPolarHBondContact CB-O 3.39Å; V359-I367 HydrophobicContact CG2-CB 4.37Å; V359-I367 HydrophobicContact CG2-CG2 3.8Å; D364-I367 HydrophobicContact CB-CB 4.34Å; D364-I367 PolarHBondContact OD1-N 3.42Å; I367-M393 HydrophobicContact CD1-CG 3.57Å; I367-M393 HydrophobicContact CD1-SD 3.69Å; I367-V419 HydrophobicContact CD1-CG1 4.4Å; I367-V423 HydrophobicContact CD1-CG2 3.55Å; I367-V423 HydrophobicContact CG1-CG2 3.89Å; I367-V423 HydrophobicContact CG2-CG1 4.32Å
368L98.1Very high96.1Very high7 Ų730 Ų304%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-89.2-39.7177.1-62.4172.8000111.5R169 A173 V337 V359 H366 M392 K394R169-L368 HydrophobicContact CB-CD2 3.94Å; R169-L368 HydrophobicContact CG-CD2 4.36Å; A173-L368 HydrophobicContact CB-CD1 3.7Å; A173-L368 HydrophobicContact CB-CD2 4.43Å; V337-L368 HydrophobicContact CG1-CD1 4.32Å; V337-L368 HydrophobicContact CG2-CD1 4.27Å; V359-L368 PolarHBondContact N-O 3.2Å; H366-L368 PolarHBondContact O-N 2.85Å; L368-M392 HydrophobicContact CB-CB 4.17Å; L368-M392 WeakPolarHBondContact CB-O 3.42Å; L368-M392 HydrophobicContact CD1-CB 4.5Å; L368-M392 PolarHBondContact N-O 2.74Å; L368-K394 HydrophobicContact CD1-CG 4.36Å; L368-K394 HydrophobicContact CD2-CD 4.41Å; L368-K394 HydrophobicContact CD2-CG 3.79Å; L368-K394 HydrophobicContact CG-CG 4.2Å
369G98.1Very high96Very high5 Ų535.7 Ų35.75%0.05218%0.179CC..EExtended strand (participates in β ladder)trans167175.7-176.400000112.6H357 M392H357-G369 CarbonylContact O-C 3.55Å; H357-G369 WeakPolarHBondContact O-CA 3.21Å; G369-M392 PolarHBondContact N-O 2.83Å; G369-M392 PolarHBondContact O-N 3.12Å
370V98.5Very high96Very high2 Ų236 Ų361%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-129.8127.5174-172.90000108.8G356 H357 Y372 Y389 T390 V391 V423 L424G356-V370 CarbonylContact C-O 3.58Å; G356-V370 WeakPolarHBondContact CA-O 3.3Å; H357-V370 WeakPolarHBondContact CE1-CB 3.31Å; H357-V370 WeakPolarHBondContact CE1-CG2 3.13Å; H357-V370 PolarHBondContact N-O 3.08Å; H357-V370 PolarHBondContact O-N 3.4Å; V370-Y372 HydrophobicContact CB-CD1 4.45Å; V370-Y372 HydrophobicContact CB-CE1 4.12Å; V370-Y372 HydrophobicContact CG1-CD1 4.04Å; V370-Y372 HydrophobicContact CG1-CE1 4.08Å; V370-Y389 HydrophobicContact CG1-CD1 4.28Å; V370-T390 CarbonylContact C-O 3.45Å; V370-T390 VanDerWaalsContact CA-O 3.31Å; V370-T390 WeakPolarHBondContact CA-O 3.37Å; V370-V391 HydrophobicContact CG1-CG2 4.18Å; V370-V391 HydrophobicContact CG2-CG1 4.34Å; V370-V391 HydrophobicContact CG2-CG2 4.09Å; V370-V423 HydrophobicContact CG2-CG1 3.66Å; V370-L424 HydrophobicContact CG1-CD2 3.83Å
371I98.1Very high96Very high23 Ų2337.8 Ų37.812%0.11819%0.19CC..EExtended strand (participates in β ladder)trans-90.4135.4170.8-59.3170.6000107.4H63 D373 Y389 T390 M392H63-I371 HydrophobicContact CB-CD1 4.36Å; H63-I371 VanDerWaalsContact CD2-CD1 3.45Å; H63-I371 WeakPolarHBondContact CD2-CD1 3.45Å; H63-I371 WeakPolarHBondContact NE2-CD1 3.5Å; I371-D373 WeakPolarHBondContact CG2-OD1 3.27Å; I371-D373 PolarHBondContact O-N 2.99Å; I371-Y389 WeakPolarHBondContact O-CA 3.49Å; I371-T390 PolarHBondContact N-O 2.66Å; I371-T390 PolarHBondContact O-N 3.02Å; I371-M392 HydrophobicContact CD1-CE 4.14Å
372Y97.5Very high95.9Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans-100.177.1176.1-38.6-31.6000107.8L101 V352 G354 F355 H357 V370 S374 F375 A376 Y389 L428L101-Y372 HydrophobicContact CD1-CE2 4.18Å; V352-Y372 HydrophobicContact CG1-CE2 4.13Å; G354-Y372 WeakPolarHBondContact O-CD2 3.27Å; F355-Y372 PolarHBondContact O-N 3.45Å; H357-Y372 AromaticContact CE1-CE1 3.95Å; H357-Y372 AromaticContact ND1-CE1 3.33Å; H357-Y372 VanDerWaalsContact ND1-CE1 3.33Å; H357-Y372 WeakPolarHBondContact ND1-CE1 3.49Å; H357-Y372 AromaticContact ND1-CZ 3.42Å; H357-Y372 PolarHBondContact ND1-OH 3.19Å; V370-Y372 HydrophobicContact CB-CD1 4.45Å; V370-Y372 HydrophobicContact CB-CE1 4.12Å; V370-Y372 HydrophobicContact CG1-CD1 4.04Å; V370-Y372 HydrophobicContact CG1-CE1 4.08Å; Y372-S374 VanDerWaalsContact C-N 3.28Å; Y372-S374 PolarHBondContact O-N 2.73Å; Y372-F375 PolarHBondContact O-N 2.97Å; Y372-A376 PolarHBondContact O-N 2.78Å; Y372-Y389 AromaticContact CD1-CD1 3.68Å; Y372-Y389 HydrophobicContact CD1-CD1 3.68Å; Y372-Y389 AromaticContact CD1-CE1 3.73Å; Y372-Y389 HydrophobicContact CD1-CE1 3.73Å; Y372-Y389 HydrophobicContact CG-CD1 4.19Å; Y372-Y389 AromaticContact CG-CE1 3.93Å; Y372-Y389 HydrophobicContact CG-CE1 3.93Å; Y372-L428 HydrophobicContact CD1-CD1 4.15Å; Y372-L428 HydrophobicContact CE1-CD1 3.78Å; Y372-L428 HydrophobicContact CE1-CD2 3.54Å; Y372-L428 HydrophobicContact CE1-CG 4.3Å; Y372-L428 WeakPolarHBondContact OH-CD2 3.49Å
373D97Very high95.5Very high7 Ų740.9 Ų40.94%0.03720%0.203CC..Hα-helixtrans-55.7-39-165.1-61-83.1000113.6H63 I371 F375 A376 F377 R388 Y389 T390H63-D373 IonicContact CE1-OD1 2.8Å; H63-D373 PolarHBondContact CE1-OD1 3.18Å; H63-D373 IonicContact ND1-OD1 2.77Å; H63-D373 PolarHBondContact ND1-OD1 3.37Å; I371-D373 WeakPolarHBondContact CG2-OD1 3.27Å; I371-D373 PolarHBondContact O-N 2.99Å; D373-F375 VanDerWaalsContact C-N 3.26Å; D373-F375 PolarHBondContact O-N 3.38Å; D373-A376 PolarHBondContact O-N 3.32Å; D373-F377 CarbonylContact O-C 3.56Å; D373-F377 PolarHBondContact O-N 2.87Å; D373-R388 HydrophobicContact CB-CB 3.81Å; D373-R388 PolarHBondContact N-O 3.25Å; D373-R388 PolarHBondContact O-NH2 2.57Å; D373-Y389 VanDerWaalsContact OD2-C 3.3Å; D373-Y389 WeakPolarHBondContact OD2-CA 3.13Å; D373-T390 PolarHBondContact OD2-N 2.93Å; D373-T390 PolarHBondContact OD2-OG1 3.09Å; D373-T390 VanDerWaalsContact OD2-OG1 3.08Å
374S96Very high94.8Very high7 Ų743.1 Ų43.15%0.04922%0.217CC..Hα-helixtrans-68.9-20.5177.2-61.90000113.8Y372 P378 D381 L387 R388Y372-S374 VanDerWaalsContact C-N 3.28Å; Y372-S374 PolarHBondContact O-N 2.73Å; S374-P378 VanDerWaalsContact O-CA 3.25Å; S374-P378 WeakPolarHBondContact O-CA 3.31Å; S374-P378 WeakPolarHBondContact O-CB 3.24Å; S374-P378 WeakPolarHBondContact O-CD 3.22Å; S374-D381 WeakPolarHBondContact CB-OD1 3.47Å; S374-D381 VanDerWaalsContact CB-OD2 3.25Å; S374-D381 WeakPolarHBondContact CB-OD2 3.1Å; S374-D381 VanDerWaalsContact OG-CG 3.27Å; S374-D381 PolarHBondContact OG-OD1 3.4Å; S374-D381 PolarHBondContact OG-OD2 2.81Å; S374-L387 WeakPolarHBondContact OG-CA 3.38Å; S374-R388 PolarHBondContact N-O 3.03Å; S374-R388 PolarHBondContact OG-N 3.41Å
375F95.9Very high93.7Very high28 Ų2848.2 Ų48.212%0.12324%0.236CC..Hα-helixtrans-93.3-31.4173.2-63.5-74000112.3D96 G97 P350 R353 G354 Y372 D373 L387D96-F375 HydrophobicContact CB-CB 4.42Å; D96-F375 HydrophobicContact CB-CD1 4.26Å; G97-F375 VanDerWaalsContact CA-O 3.22Å; G97-F375 WeakPolarHBondContact CA-O 3.44Å; G97-F375 PolarHBondContact N-O 2.86Å; P350-F375 HydrophobicContact CB-CE2 4.28Å; P350-F375 HydrophobicContact CB-CZ 3.84Å; P350-F375 HydrophobicContact CG-CE2 4.47Å; P350-F375 HydrophobicContact CG-CZ 3.93Å; R353-F375 HydrophobicContact CB-CD1 3.92Å; R353-F375 HydrophobicContact CB-CE1 3.91Å; R353-F375 HydrophobicContact CB-CG 4.36Å; R353-F375 HydrophobicContact CB-CZ 4.31Å; R353-F375 VanDerWaalsContact CD-CE1 3.42Å; R353-F375 HydrophobicContact CG-CD1 4.01Å; R353-F375 HydrophobicContact CG-CE1 3.46Å; R353-F375 VanDerWaalsContact CG-CE1 3.46Å; R353-F375 HydrophobicContact CG-CE2 4.43Å; R353-F375 HydrophobicContact CG-CZ 3.69Å; G354-F375 WeakPolarHBondContact O-CB 3.5Å; Y372-F375 PolarHBondContact O-N 2.97Å; D373-F375 VanDerWaalsContact C-N 3.26Å; D373-F375 PolarHBondContact O-N 3.38Å; F375-L387 HydrophobicContact CE2-CD2 4.47Å; F375-L387 HydrophobicContact CZ-CD2 4.38Å
376A95.4Very high93.6Very high5 Ų542 Ų424%0.04121%0.207CC..Hα-helixtrans-68.5-48.1173.900000111.5M91 F355 Y372 D373M91-A376 HydrophobicContact CE-CB 3.79Å; F355-A376 HydrophobicContact CD2-CB 3.77Å; F355-A376 HydrophobicContact CE2-CB 4.08Å; Y372-A376 PolarHBondContact O-N 2.78Å; D373-A376 PolarHBondContact O-N 3.32Å
377F96.3Very high93.5Very high8 Ų842 Ų424%0.03521%0.208CC..  trans-143.572.7-176.7-64-71.7000111.6V89 M91 A237 T239 D373 K379 L380 R388V89-F377 HydrophobicContact CG1-CD1 3.78Å; V89-F377 HydrophobicContact CG1-CE1 4.49Å; M91-F377 HydrophobicContact CB-CE1 3.88Å; M91-F377 HydrophobicContact CB-CZ 4.01Å; M91-F377 HydrophobicContact CE-CD2 4.43Å; M91-F377 HydrophobicContact CE-CE1 4.47Å; M91-F377 HydrophobicContact CE-CE2 3.72Å; M91-F377 HydrophobicContact CE-CZ 3.76Å; A237-F377 HydrophobicContact CB-CZ 4.42Å; T239-F377 HydrophobicContact CG2-CB 4.33Å; T239-F377 HydrophobicContact CG2-CD1 3.53Å; T239-F377 HydrophobicContact CG2-CD2 4.19Å; T239-F377 HydrophobicContact CG2-CE1 3.77Å; T239-F377 HydrophobicContact CG2-CE2 4.42Å; T239-F377 HydrophobicContact CG2-CG 3.75Å; T239-F377 HydrophobicContact CG2-CZ 4.2Å; D373-F377 CarbonylContact O-C 3.56Å; D373-F377 PolarHBondContact O-N 2.87Å; F377-K379 PolarHBondContact O-N 3.24Å; F377-L380 HydrophobicContact CB-CD1 4.09Å; F377-L380 HydrophobicContact CB-CG 4.15Å; F377-L380 PolarHBondContact O-N 2.87Å; F377-R388 PolarHBondContact O-NH2 3.31Å
378P94.9Very high93.5Very high76 Ų7642 Ų4249%0.49421%0.207SC..G310 helixtrans-59.3-21.9-18019.3-31.1000114.1S374 L380 D381S374-P378 VanDerWaalsContact O-CA 3.25Å; S374-P378 WeakPolarHBondContact O-CA 3.31Å; S374-P378 WeakPolarHBondContact O-CB 3.24Å; S374-P378 WeakPolarHBondContact O-CD 3.22Å; P378-L380 PolarHBondContact O-N 3.27Å; P378-D381 WeakPolarHBondContact CA-OD2 3.3Å; P378-D381 VanDerWaalsContact O-CB 3.32Å; P378-D381 WeakPolarHBondContact O-CB 3.45Å; P378-D381 PolarHBondContact O-N 2.92Å; P378-D381 VanDerWaalsContact O-N 3.12Å
379K95Very high93.4Very high156 Ų15641.7 Ų41.768%0.67821%0.206SC*.G310 helixtrans-68.7-11.6177.3-67.9-163.7-176.6-178.10113.9V89 F377V89-K379 HydrophobicContact CG1-CB 3.97Å; V89-K379 HydrophobicContact CG1-CD 4.06Å; V89-K379 HydrophobicContact CG1-CG 4.25Å; V89-K379 HydrophobicContact CG2-CB 4.24Å; V89-K379 HydrophobicContact CG2-CD 4.16Å; F377-K379 PolarHBondContact O-N 3.24Å
380L96.3Very high93.5Very high6 Ų641.5 Ų41.53%0.03120%0.203CC..G310 helixtrans-92.9-0.9174.3-60-173.9000112.6I57 T239 L240 F377 P378I57-L380 HydrophobicContact CB-CB 4.26Å; I57-L380 HydrophobicContact CB-CD2 4.45Å; I57-L380 HydrophobicContact CD1-CD2 4.04Å; I57-L380 PolarHBondContact N-O 2.61Å; T239-L380 HydrophobicContact CG2-CD1 3.93Å; T239-L380 HydrophobicContact CG2-CG 4.44Å; L240-L380 WeakPolarHBondContact O-CD2 3.48Å; F377-L380 HydrophobicContact CB-CD1 4.09Å; F377-L380 HydrophobicContact CB-CG 4.15Å; F377-L380 PolarHBondContact O-N 2.87Å; P378-L380 PolarHBondContact O-N 3.27Å
381D95.3Very high93.5Very high37 Ų3741.4 Ų41.420%0.19820%0.203CC..SBendtrans-74.9146.9173.7-58.7-23.7000110.8S374 P378 R388S374-D381 WeakPolarHBondContact CB-OD1 3.47Å; S374-D381 VanDerWaalsContact CB-OD2 3.25Å; S374-D381 WeakPolarHBondContact CB-OD2 3.1Å; S374-D381 VanDerWaalsContact OG-CG 3.27Å; S374-D381 PolarHBondContact OG-OD1 3.4Å; S374-D381 PolarHBondContact OG-OD2 2.81Å; P378-D381 WeakPolarHBondContact CA-OD2 3.3Å; P378-D381 VanDerWaalsContact O-CB 3.32Å; P378-D381 WeakPolarHBondContact O-CB 3.45Å; P378-D381 PolarHBondContact O-N 2.92Å; P378-D381 VanDerWaalsContact O-N 3.12Å; D381-R388 IonicContact OD1-CZ 3.22Å; D381-R388 IonicContact OD1-NE 2.58Å; D381-R388 PolarHBondContact OD1-NE 3.37Å; D381-R388 IonicContact OD1-NH2 2.91Å; D381-R388 PolarHBondContact OD1-NH2 2.92Å
382G91.6Very high93.5Very high13 Ų1341.6 Ų41.613%0.13420%0.204CC..  trans-73.9-173.3176.300000114.8T54 S56 N384 K385T54-G382 CarbonylContact O-C 3.58Å; T54-G382 WeakPolarHBondContact O-CA 3.39Å; S56-G382 PolarHBondContact OG-N 3.06Å; G382-N384 VanDerWaalsContact C-N 3.29Å; G382-N384 PolarHBondContact O-N 3.38Å; G382-K385 PolarHBondContact O-N 3.35Å
383F84.8Confident93.5Very high182 Ų18241.6 Ų41.680%0.79820%0.204SC*.THydrogen-bonded Turntrans-64-29.9-171.3-57.9-74.3000114.2T54T54-F383 PolarHBondContact O-N 3.36Å
384N79.6Confident93.5Very high105 Ų10544.3 Ų44.356%0.56122%0.215SC*.THydrogen-bonded Turntrans-9820.3-173.1-66.9-23.5000114.1G382 K386G382-N384 VanDerWaalsContact C-N 3.29Å; G382-N384 PolarHBondContact O-N 3.38Å; N384-K386 HydrophobicContact CB-CG 4.29Å; N384-K386 PolarHBondContact O-N 2.86Å
385K73.4Confident93.5Very high162 Ų16244.9 Ų44.970%0.70422%0.219SC*.  trans47.133.8174.8-63.5-174.1-179.9176.90115.4G382G382-K385 PolarHBondContact O-N 3.35Å
386K89.4Confident93.5Very high29 Ų2946.2 Ų46.213%0.12623%0.226CC..  trans-66.1146.9174.2-55.7-60.3172.8-164.60109.7E343 I344 D345 D346 N384 V436E343-K386 HydrophobicContact CG-CB 3.63Å; E343-K386 WeakPolarHBondContact OE1-CB 3.4Å; I344-K386 WeakPolarHBondContact O-CB 3.39Å; D345-K386 IonicContact OD1-NZ 3.95Å; D345-K386 PolarHBondContact OD1-NZ 3.38Å; D346-K386 IonicContact OD1-NZ 2.71Å; D346-K386 PolarHBondContact OD1-NZ 3.35Å; N384-K386 HydrophobicContact CB-CG 4.29Å; N384-K386 PolarHBondContact O-N 2.86Å; K386-V436 HydrophobicContact CB-CG2 4.37Å; K386-V436 HydrophobicContact CD-CG2 4.32Å; K386-V436 HydrophobicContact CG-CG2 4.11Å
387L94.9Very high93.4Very high21 Ų2154.9 Ų54.911%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-90.5136.9-177.9-63.8171.6000109.8E343 I344 F348 P350 S374 F375 Y389E343-L387 CarbonylContact C-O 3.37Å; E343-L387 WeakPolarHBondContact CA-O 3.48Å; I344-L387 HydrophobicContact CD1-CB 4.46Å; I344-L387 HydrophobicContact CG1-CB 3.9Å; I344-L387 WeakPolarHBondContact CG1-O 3.27Å; I344-L387 PolarHBondContact N-O 3.12Å; I344-L387 PolarHBondContact O-N 2.63Å; I344-L387 VanDerWaalsContact O-N 3.12Å; F348-L387 HydrophobicContact CE1-CD1 4.03Å; F348-L387 HydrophobicContact CE2-CD1 4.44Å; F348-L387 HydrophobicContact CZ-CD1 3.67Å; P350-L387 HydrophobicContact CG-CD1 3.28Å; S374-L387 WeakPolarHBondContact OG-CA 3.38Å; F375-L387 HydrophobicContact CE2-CD2 4.47Å; F375-L387 HydrophobicContact CZ-CD2 4.38Å; L387-Y389 HydrophobicContact CB-CD2 4.39Å; L387-Y389 HydrophobicContact CB-CE2 3.71Å; L387-Y389 HydrophobicContact CD1-CE2 4.4Å
388R96.6Very high93.2Very high2 Ų259.6 Ų59.61%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-112.7134.3178.5-63.5177.6-61.4109.515.2109.7I57 Y58 L342 E343 D373 S374 F377 D381I57-R388 PolarHBondContact O-NH1 2.99Å; Y58-R388 HydrophobicContact CE1-CG 4.2Å; L342-R388 WeakPolarHBondContact O-CA 3.31Å; E343-R388 HydrophobicContact CB-CG 4.25Å; E343-R388 HydrophobicContact CG-CG 4.09Å; D373-R388 HydrophobicContact CB-CB 3.81Å; D373-R388 PolarHBondContact N-O 3.25Å; D373-R388 PolarHBondContact O-NH2 2.57Å; S374-R388 PolarHBondContact N-O 3.03Å; S374-R388 PolarHBondContact OG-N 3.41Å; F377-R388 PolarHBondContact O-NH2 3.31Å; D381-R388 IonicContact OD1-CZ 3.22Å; D381-R388 IonicContact OD1-NE 2.58Å; D381-R388 PolarHBondContact OD1-NE 3.37Å; D381-R388 IonicContact OD1-NH2 2.91Å; D381-R388 PolarHBondContact OD1-NH2 2.92Å
389Y97.9Very high93.2Very high2 Ų256.6 Ų56.61%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-135.3134175.6-65.8-89.2000109.9L342 I344 V370 I371 Y372 D373 L387 L424 L428 I430L342-Y389 PolarHBondContact N-O 2.82Å; L342-Y389 PolarHBondContact O-N 3.42Å; I344-Y389 HydrophobicContact CD1-CD2 3.74Å; I344-Y389 HydrophobicContact CD1-CE2 3.51Å; I344-Y389 HydrophobicContact CG1-CD2 4.12Å; I344-Y389 HydrophobicContact CG1-CE2 4.07Å; V370-Y389 HydrophobicContact CG1-CD1 4.28Å; I371-Y389 WeakPolarHBondContact O-CA 3.49Å; Y372-Y389 AromaticContact CD1-CD1 3.68Å; Y372-Y389 HydrophobicContact CD1-CD1 3.68Å; Y372-Y389 AromaticContact CD1-CE1 3.73Å; Y372-Y389 HydrophobicContact CD1-CE1 3.73Å; Y372-Y389 HydrophobicContact CG-CD1 4.19Å; Y372-Y389 AromaticContact CG-CE1 3.93Å; Y372-Y389 HydrophobicContact CG-CE1 3.93Å; D373-Y389 VanDerWaalsContact OD2-C 3.3Å; D373-Y389 WeakPolarHBondContact OD2-CA 3.13Å; L387-Y389 HydrophobicContact CB-CD2 4.39Å; L387-Y389 HydrophobicContact CB-CE2 3.71Å; L387-Y389 HydrophobicContact CD1-CE2 4.4Å; Y389-L424 HydrophobicContact CD1-CD2 4.35Å; Y389-L424 HydrophobicContact CD2-CD1 4.48Å; Y389-L424 HydrophobicContact CG-CD1 4.42Å; Y389-L424 HydrophobicContact CG-CD2 4.14Å; Y389-L428 HydrophobicContact CD1-CD1 3.65Å; Y389-L428 HydrophobicContact CE1-CD1 3.4Å; Y389-I430 HydrophobicContact CE2-CD1 4.07Å
390T98.5Very high93Very high0 Ų051.2 Ų51.20%024%0.238CC..EExtended strand (participates in β ladder)trans-110.9114.2173.3-630000110.5H63 S339 A340 V341 V370 I371 D373 M392H63-T390 PolarHBondContact CE1-OG1 3.13Å; S339-T390 WeakPolarHBondContact OG-CG2 3.36Å; A340-T390 WeakPolarHBondContact O-CA 3.33Å; V341-T390 HydrophobicContact CG2-CG2 4.1Å; V341-T390 WeakPolarHBondContact CG2-OG1 3.5Å; V370-T390 CarbonylContact C-O 3.45Å; V370-T390 VanDerWaalsContact CA-O 3.31Å; V370-T390 WeakPolarHBondContact CA-O 3.37Å; I371-T390 PolarHBondContact N-O 2.66Å; I371-T390 PolarHBondContact O-N 3.02Å; D373-T390 PolarHBondContact OD2-N 2.93Å; D373-T390 PolarHBondContact OD2-OG1 3.09Å; D373-T390 VanDerWaalsContact OD2-OG1 3.08Å; T390-M392 HydrophobicContact CG2-CE 3.58Å; T390-M392 HydrophobicContact CG2-CG 4.28Å; T390-M392 HydrophobicContact CG2-SD 4.01Å
391V98.6Very high92.8Very high0 Ų056 Ų560%026%0.26CS..EExtended strand (participates in β ladder)trans-88.7116.9173.2-175.30000108.6A340 V370 M393 A420 V423 L424A340-V391 HydrophobicContact CB-CB 4.4Å; A340-V391 PolarHBondContact N-O 2.75Å; A340-V391 PolarHBondContact O-N 3.38Å; V370-V391 HydrophobicContact CG1-CG2 4.18Å; V370-V391 HydrophobicContact CG2-CG1 4.34Å; V370-V391 HydrophobicContact CG2-CG2 4.09Å; V391-M393 HydrophobicContact CG1-CE 4.15Å; V391-M393 HydrophobicContact CG1-CG 3.95Å; V391-M393 HydrophobicContact CG1-SD 4.05Å; V391-A420 HydrophobicContact CB-CB 3.88Å; V391-A420 HydrophobicContact CG1-CB 4.31Å; V391-A420 HydrophobicContact CG2-CB 3.84Å; V391-V423 HydrophobicContact CG1-CB 4.23Å; V391-V423 HydrophobicContact CG1-CG1 4.11Å; V391-V423 HydrophobicContact CG1-CG2 4.29Å; V391-L424 HydrophobicContact CG2-CD2 3.89Å; V391-L424 HydrophobicContact CG2-CG 4.25Å
392M98.5Very high92.5Very high28 Ų2855.6 Ų55.614%0.13826%0.262CS..EExtended strand (participates in β ladder)trans-99.8130.9179.1-66.5-68.2-170.300110.1H63 V337 V338 L368 G369 I371 T390H63-M392 WeakPolarHBondContact NE2-CE 3.25Å; V337-M392 HydrophobicContact CG1-SD 3.92Å; V338-M392 WeakPolarHBondContact O-CA 3.4Å; L368-M392 HydrophobicContact CB-CB 4.17Å; L368-M392 WeakPolarHBondContact CB-O 3.42Å; L368-M392 HydrophobicContact CD1-CB 4.5Å; L368-M392 PolarHBondContact N-O 2.74Å; G369-M392 PolarHBondContact N-O 2.83Å; G369-M392 PolarHBondContact O-N 3.12Å; I371-M392 HydrophobicContact CD1-CE 4.14Å; T390-M392 HydrophobicContact CG2-CE 3.58Å; T390-M392 HydrophobicContact CG2-CG 4.28Å; T390-M392 HydrophobicContact CG2-SD 4.01Å
393M98.2Very high92.2Very high0 Ų057.2 Ų57.20%027%0.271CS..EExtended strand (participates in β ladder)trans-139.5153.5-174.4-54.7171-86.200111.3V337 V338 A340 H366 I367 V391 W399 I416 V419 A420V337-M393 CarbonylContact C-O 3.56Å; V337-M393 WeakPolarHBondContact CA-O 3.31Å; V338-M393 HydrophobicContact CB-CB 4.28Å; V338-M393 HydrophobicContact CB-CE 4.35Å; V338-M393 HydrophobicContact CG1-CE 3.89Å; V338-M393 PolarHBondContact N-O 2.91Å; V338-M393 PolarHBondContact O-N 2.85Å; A340-M393 HydrophobicContact CB-CE 3.88Å; H366-M393 PolarHBondContact NE2-SD 2.99Å; H366-M393 CarbonylContact O-C 3.52Å; H366-M393 WeakPolarHBondContact O-CA 3.38Å; I367-M393 HydrophobicContact CD1-CG 3.57Å; I367-M393 HydrophobicContact CD1-SD 3.69Å; V391-M393 HydrophobicContact CG1-CE 4.15Å; V391-M393 HydrophobicContact CG1-CG 3.95Å; V391-M393 HydrophobicContact CG1-SD 4.05Å; M393-W399 HydrophobicContact SD-CH2 4.26Å; M393-W399 HydrophobicContact SD-CZ3 4.34Å; M393-I416 HydrophobicContact CE-CG2 3.77Å; M393-V419 HydrophobicContact SD-CG1 3.87Å; M393-A420 HydrophobicContact CE-CB 4.43Å
394K97.3Very high92Very high64 Ų6453.4 Ų53.428%0.27826%0.263SS..PPolyproline II helixtrans-76.5124.9162.2-70-176.4174.5174.10108A173 H366 L368 L396A173-K394 WeakPolarHBondContact O-CE 3.25Å; H366-K394 PolarHBondContact CE1-O 2.83Å; H366-K394 PolarHBondContact ND1-O 3.36Å; H366-K394 PolarHBondContact O-N 3Å; L368-K394 HydrophobicContact CD1-CG 4.36Å; L368-K394 HydrophobicContact CD2-CD 4.41Å; L368-K394 HydrophobicContact CD2-CG 3.79Å; L368-K394 HydrophobicContact CG-CG 4.2Å; K394-L396 PolarHBondContact O-N 2.97Å
395P95.8Very high91.8Very high19 Ų1951.3 Ų51.312%0.12326%0.256CS..PPolyproline II helixtrans-60.1139.1-178.924.4-31.8000111.5S336 V338 L400 I442S336-P395 VanDerWaalsContact C-CD 3.5Å; S336-P395 WeakPolarHBondContact O-CD 3.38Å; V338-P395 HydrophobicContact CG2-CB 3.56Å; V338-P395 HydrophobicContact CG2-CG 4.37Å; P395-L400 HydrophobicContact CB-CD1 4.44Å; P395-L400 HydrophobicContact CB-CD2 3.92Å; P395-L400 HydrophobicContact CB-CG 3.91Å; P395-L400 HydrophobicContact CG-CD1 4.12Å; P395-L400 HydrophobicContact CG-CD2 3.78Å; P395-L400 HydrophobicContact CG-CG 4Å; P395-I442 HydrophobicContact CB-CG2 4.47Å
396L95Very high91Very high55 Ų5552.8 Ų52.829%0.28827%0.271SS..PPolyproline II helixtrans-66.7155166.1-57.9179.6000109.8H366 K394 E398 W399 L400H366-L396 WeakPolarHBondContact ND1-CD2 3.3Å; K394-L396 PolarHBondContact O-N 2.97Å; L396-E398 VanDerWaalsContact C-N 3.31Å; L396-E398 VanDerWaalsContact CB-CD 3.45Å; L396-E398 HydrophobicContact CB-CG 4.05Å; L396-E398 WeakPolarHBondContact CB-OE2 3.47Å; L396-E398 WeakPolarHBondContact CD1-OE1 3.42Å; L396-E398 PolarHBondContact O-N 3.47Å; L396-W399 HydrophobicContact CB-CD2 3.97Å; L396-W399 HydrophobicContact CB-CE3 4.42Å; L396-W399 HydrophobicContact CB-CG 4.01Å; L396-W399 HydrophobicContact CD1-CD2 4.34Å; L396-W399 HydrophobicContact CD1-CH2 4.42Å; L396-W399 HydrophobicContact CD1-CZ2 3.77Å; L396-W399 HydrophobicContact CG-CD2 4.12Å; L396-W399 HydrophobicContact CG-CE3 4.36Å; L396-W399 HydrophobicContact CG-CH2 4.45Å; L396-W399 HydrophobicContact CG-CZ2 4.18Å; L396-W399 WeakPolarHBondContact O-CB 3.47Å; L396-W399 PolarHBondContact O-N 3.25Å; L396-W399 VanDerWaalsContact O-N 3.07Å; L396-L400 PolarHBondContact O-N 3.49Å; L396-L400 VanDerWaalsContact O-N 3.16Å
397R93Very high89.4Confident188 Ų18855.1 Ų55.171%0.70930%0.303SS*.Hα-helixtrans-60.9-43.9-176.4178.5177.3172.51531.7111.2W399 L400 E401R397-W399 VanDerWaalsContact C-N 3.25Å; R397-W399 PolarHBondContact O-N 3.03Å; R397-L400 WeakPolarHBondContact O-CB 3.46Å; R397-L400 PolarHBondContact O-N 3.47Å; R397-L400 VanDerWaalsContact O-N 3.14Å; R397-E401 IonicContact CZ-OE1 3.27Å; R397-E401 IonicContact NE-OE1 3.73Å; R397-E401 PolarHBondContact NE-OE1 3.44Å; R397-E401 IonicContact NH2-OE1 2.77Å; R397-E401 PolarHBondContact NH2-OE1 3.43Å; R397-E401 PolarHBondContact O-N 3.25Å
398E92.5Very high87.8Confident106 Ų10655.2 Ų55.250%0.49531%0.306SS..Hα-helixtrans-59.9-32.6175.658-91-141.900112.6L396 E401 A402L396-E398 VanDerWaalsContact C-N 3.31Å; L396-E398 VanDerWaalsContact CB-CD 3.45Å; L396-E398 HydrophobicContact CB-CG 4.05Å; L396-E398 WeakPolarHBondContact CB-OE2 3.47Å; L396-E398 WeakPolarHBondContact CD1-OE1 3.42Å; L396-E398 PolarHBondContact O-N 3.47Å; E398-E401 PolarHBondContact O-N 2.96Å; E398-A402 WeakPolarHBondContact O-CB 3.01Å; E398-A402 PolarHBondContact O-N 3.3Å
399W94.1Very high87.1Confident13 Ų1358.7 Ų58.75%0.04933%0.33CS..Hα-helixtrans-71.4-39.3176-62.7-5.1000111.1V338 H366 M393 L396 R397 S403 L412 I416 V419 I442V338-W399 HydrophobicContact CG2-CE3 3.9Å; V338-W399 HydrophobicContact CG2-CZ3 4.14Å; H366-W399 AromaticContact CE1-CE3 3.99Å; H366-W399 AromaticContact CE1-CH2 3.5Å; H366-W399 VanDerWaalsContact CE1-CH2 3.5Å; H366-W399 WeakPolarHBondContact CE1-CH2 3.47Å; H366-W399 AromaticContact CE1-CZ3 3.25Å; H366-W399 WeakPolarHBondContact CE1-CZ3 3.39Å; H366-W399 AromaticContact NE2-CH2 3.13Å; H366-W399 WeakPolarHBondContact NE2-CH2 3.37Å; H366-W399 AromaticContact NE2-CZ3 3.3Å; H366-W399 VanDerWaalsContact NE2-CZ3 3.3Å; H366-W399 WeakPolarHBondContact NE2-CZ3 3.37Å; M393-W399 HydrophobicContact SD-CH2 4.26Å; M393-W399 HydrophobicContact SD-CZ3 4.34Å; L396-W399 HydrophobicContact CB-CD2 3.97Å; L396-W399 HydrophobicContact CB-CE3 4.42Å; L396-W399 HydrophobicContact CB-CG 4.01Å; L396-W399 HydrophobicContact CD1-CD2 4.34Å; L396-W399 HydrophobicContact CD1-CH2 4.42Å; L396-W399 HydrophobicContact CD1-CZ2 3.77Å; L396-W399 HydrophobicContact CG-CD2 4.12Å; L396-W399 HydrophobicContact CG-CE3 4.36Å; L396-W399 HydrophobicContact CG-CH2 4.45Å; L396-W399 HydrophobicContact CG-CZ2 4.18Å; L396-W399 WeakPolarHBondContact O-CB 3.47Å; L396-W399 PolarHBondContact O-N 3.25Å; L396-W399 VanDerWaalsContact O-N 3.07Å; R397-W399 VanDerWaalsContact C-N 3.25Å; R397-W399 PolarHBondContact O-N 3.03Å; W399-S403 WeakPolarHBondContact O-CB 3.33Å; W399-S403 PolarHBondContact O-N 3.15Å; W399-L412 HydrophobicContact CB-CD1 3.89Å; W399-L412 HydrophobicContact CG-CD1 3.78Å; W399-I416 HydrophobicContact CD2-CD1 4.25Å; W399-I416 HydrophobicContact CD2-CG1 3.91Å; W399-I416 HydrophobicContact CE3-CD1 4.09Å; W399-I416 HydrophobicContact CE3-CG1 3.88Å; W399-I416 HydrophobicContact CH2-CG1 4.07Å; W399-I416 HydrophobicContact CZ2-CG1 4.12Å; W399-I416 HydrophobicContact CZ3-CD1 4.49Å; W399-I416 HydrophobicContact CZ3-CG1 3.94Å; W399-V419 HydrophobicContact CH2-CB 4.37Å; W399-V419 HydrophobicContact CH2-CG1 4.36Å; W399-V419 HydrophobicContact CH2-CG2 4.25Å; W399-V419 HydrophobicContact CZ2-CG2 4.03Å; W399-I442 HydrophobicContact CB-CD1 4.32Å
400L92.3Very high86.6Confident44 Ų4464.9 Ų64.923%0.2336%0.359CS..Hα-helixtrans-64-47.1171.5-65.1172.1000110.4P395 L396 R397 A402 S403 I442 R444P395-L400 HydrophobicContact CB-CD1 4.44Å; P395-L400 HydrophobicContact CB-CD2 3.92Å; P395-L400 HydrophobicContact CB-CG 3.91Å; P395-L400 HydrophobicContact CG-CD1 4.12Å; P395-L400 HydrophobicContact CG-CD2 3.78Å; P395-L400 HydrophobicContact CG-CG 4Å; L396-L400 PolarHBondContact O-N 3.49Å; L396-L400 VanDerWaalsContact O-N 3.16Å; R397-L400 WeakPolarHBondContact O-CB 3.46Å; R397-L400 PolarHBondContact O-N 3.47Å; R397-L400 VanDerWaalsContact O-N 3.14Å; L400-A402 VanDerWaalsContact C-N 3.35Å; L400-A402 PolarHBondContact O-N 2.86Å; L400-S403 PolarHBondContact O-N 2.95Å; L400-I442 HydrophobicContact CD2-CG2 3.87Å; L400-R444 HydrophobicContact CD2-CG 4.23Å; L400-R444 PolarHBondContact O-NH2 3.4Å
401E91.2Very high86.3Confident105 Ų10571.8 Ų71.849%0.49139%0.391SS..Hα-helixtrans-63.2-44-179.8-69.1172-179.300111.2R397 E398 S403 T404R397-E401 IonicContact CZ-OE1 3.27Å; R397-E401 IonicContact NE-OE1 3.73Å; R397-E401 PolarHBondContact NE-OE1 3.44Å; R397-E401 IonicContact NH2-OE1 2.77Å; R397-E401 PolarHBondContact NH2-OE1 3.43Å; R397-E401 PolarHBondContact O-N 3.25Å; E398-E401 PolarHBondContact O-N 2.96Å; E401-S403 PolarHBondContact O-N 2.91Å; E401-T404 PolarHBondContact O-N 3.4Å; E401-T404 PolarHBondContact O-OG1 2.96Å
402A89Confident86.1Confident30 Ų3072.4 Ų72.425%0.24840%0.395CS..Hα-helixtrans-59.7-46.917700000112.2E398 L400 T404 S405 S408 L412E398-A402 WeakPolarHBondContact O-CB 3.01Å; E398-A402 PolarHBondContact O-N 3.3Å; L400-A402 VanDerWaalsContact C-N 3.35Å; L400-A402 PolarHBondContact O-N 2.86Å; A402-T404 PolarHBondContact O-N 3.37Å; A402-S405 PolarHBondContact O-N 3.35Å; A402-S405 PolarHBondContact O-OG 3.06Å; A402-S408 PolarHBondContact O-OG 3.18Å; A402-L412 HydrophobicContact CB-CD1 4.3Å; A402-L412 HydrophobicContact CB-CD2 3.98Å
403S84.9Confident86Confident46 Ų4674.1 Ų74.132%0.32240%0.402SS..THydrogen-bonded Turntrans-62.8-10.1-173.8109.60000115.1W399 L400 E401 R444W399-S403 WeakPolarHBondContact O-CB 3.33Å; W399-S403 PolarHBondContact O-N 3.15Å; L400-S403 PolarHBondContact O-N 2.95Å; E401-S403 PolarHBondContact O-N 2.91Å; S403-R444 PolarHBondContact OG-NH2 3.46Å
404T81.5Confident85.8Confident103 Ų10376.7 Ų76.763%0.63242%0.416SS*.THydrogen-bonded Turntrans-90.9-8.4174.547.90000114.3E401 A402E401-T404 PolarHBondContact O-N 3.4Å; E401-T404 PolarHBondContact O-OG1 2.96Å; A402-T404 PolarHBondContact O-N 3.37Å
405S74.8Confident85.8Confident61 Ų6175.8 Ų75.843%0.42742%0.416SS..SBendtrans-92.8131.9-178.160.70000111.8A402 G407 S408A402-S405 PolarHBondContact O-N 3.35Å; A402-S405 PolarHBondContact O-OG 3.06Å; S405-G407 PolarHBondContact O-N 3.48Å; S405-S408 PolarHBondContact O-N 2.88Å; S405-S408 PolarHBondContact O-OG 3.43Å; S405-S408 VanDerWaalsContact OG-CB 3.25Å; S405-S408 WeakPolarHBondContact OG-CB 3.14Å; S405-S408 PolarHBondContact OG-OG 3.05Å
406L57.8Low85.9Confident192 Ų19275 Ų75100%1.00541%0.41SS*.THydrogen-bonded Turntrans-63.15.4-171-94.9128.7000116.8
407G55.9Low86Confident78 Ų7873.8 Ų73.880%0.80440%0.404SS*.THydrogen-bonded Turntrans-144.610.9-176.200000115.8S405S405-G407 PolarHBondContact O-N 3.48Å
408S59.6Low86.2Confident23 Ų2371.6 Ų71.616%0.16140%0.399CS..  trans-106-0.7-172.2650000115.1A402 S405 E410 H411 L412A402-S408 PolarHBondContact O-OG 3.18Å; S405-S408 PolarHBondContact O-N 2.88Å; S405-S408 PolarHBondContact O-OG 3.43Å; S405-S408 VanDerWaalsContact OG-CB 3.25Å; S405-S408 WeakPolarHBondContact OG-CB 3.14Å; S405-S408 PolarHBondContact OG-OG 3.05Å; S408-E410 PolarHBondContact O-N 2.91Å; S408-H411 PolarHBondContact O-N 2.83Å; S408-L412 VanDerWaalsContact O-CB 3.27Å; S408-L412 WeakPolarHBondContact O-CB 3.49Å; S408-L412 PolarHBondContact O-N 3.26Å
409S81.9Confident86.5Confident75 Ų7568.7 Ų68.752%0.52439%0.388SS..Hα-helixtrans-62.4-49.6-166.583.90000112.1H411 L412 E413S409-H411 PolarHBondContact O-N 2.88Å; S409-L412 PolarHBondContact O-N 3.03Å; S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 WeakPolarHBondContact O-CG 3.38Å; S409-E413 PolarHBondContact O-N 3.49Å
410E89.2Confident86.7Confident133 Ų13368 Ų6862%0.62139%0.386SS*.Hα-helixtrans-66-42-175.8-169.3-177.8-178.900112.8S408 L412 E413 N414S408-E410 PolarHBondContact O-N 2.91Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.17Å; E410-E413 PolarHBondContact O-N 2.89Å; E410-N414 WeakPolarHBondContact O-CB 3.38Å; E410-N414 PolarHBondContact O-N 3.24Å; E410-N414 PolarHBondContact O-ND2 2.85Å
411H91.8Very high86.9Confident144 Ų14468.1 Ų68.167%0.66739%0.385SS*.Hα-helixtrans-64-41.1176.9-178.975.7000111.9S408 S409 N414 T415S408-H411 PolarHBondContact O-N 2.83Å; S409-H411 PolarHBondContact O-N 2.88Å; H411-N414 PolarHBondContact O-N 3.38Å; H411-T415 PolarHBondContact O-N 3.07Å; H411-T415 PolarHBondContact O-OG1 2.85Å
412L94.8Very high87.3Confident14 Ų1466.5 Ų66.57%0.07338%0.382CS..Hα-helixtrans-64.3-45.9175.7178.959.3000111W399 A402 S408 S409 E410 N414 T415 I416 I442W399-L412 HydrophobicContact CB-CD1 3.89Å; W399-L412 HydrophobicContact CG-CD1 3.78Å; A402-L412 HydrophobicContact CB-CD1 4.3Å; A402-L412 HydrophobicContact CB-CD2 3.98Å; S408-L412 VanDerWaalsContact O-CB 3.27Å; S408-L412 WeakPolarHBondContact O-CB 3.49Å; S408-L412 PolarHBondContact O-N 3.26Å; S409-L412 PolarHBondContact O-N 3.03Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.17Å; L412-N414 VanDerWaalsContact C-N 3.34Å; L412-N414 PolarHBondContact O-N 3.01Å; L412-T415 WeakPolarHBondContact O-CB 3.46Å; L412-T415 PolarHBondContact O-N 3.43Å; L412-T415 VanDerWaalsContact O-N 3.11Å; L412-I416 HydrophobicContact CD1-CD1 4Å; L412-I416 HydrophobicContact CD1-CG1 4.3Å; L412-I416 HydrophobicContact CG-CD1 3.95Å; L412-I416 WeakPolarHBondContact O-CG1 3.42Å; L412-I416 PolarHBondContact O-N 2.89Å; L412-I442 HydrophobicContact CD2-CD1 3.74Å; L412-I442 HydrophobicContact CG-CD1 4.45Å
413E94.9Very high87.7Confident63 Ų6365.6 Ų65.629%0.29437%0.373SS..Hα-helixtrans-60-42.5176.4-71.5175.7-149.200112S409 E410 T415 I416 E417 R438 I440S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 WeakPolarHBondContact O-CG 3.38Å; S409-E413 PolarHBondContact O-N 3.49Å; E410-E413 PolarHBondContact O-N 2.89Å; E413-T415 VanDerWaalsContact C-N 3.29Å; E413-T415 PolarHBondContact O-N 3.26Å; E413-I416 PolarHBondContact O-N 3.15Å; E413-E417 WeakPolarHBondContact O-CB 3.49Å; E413-E417 PolarHBondContact O-N 3.25Å; E413-R438 PolarHBondContact O-NH1 2.86Å; E413-I440 HydrophobicContact CB-CB 4.3Å; E413-I440 HydrophobicContact CB-CG1 4.2Å; E413-I440 HydrophobicContact CG-CB 3.93Å; E413-I440 HydrophobicContact CG-CG1 4.38Å; E413-I440 HydrophobicContact CG-CG2 4.14Å
414N95.7Very high88.3Confident55 Ų5563.4 Ų63.429%0.29436%0.358SS..Hα-helixtrans-62.6-36.6174.6-73.9-27.7000112E410 H411 L412 K418 R438E410-N414 WeakPolarHBondContact O-CB 3.38Å; E410-N414 PolarHBondContact O-N 3.24Å; E410-N414 PolarHBondContact O-ND2 2.85Å; H411-N414 PolarHBondContact O-N 3.38Å; L412-N414 VanDerWaalsContact C-N 3.34Å; L412-N414 PolarHBondContact O-N 3.01Å; N414-K418 VanDerWaalsContact O-CG 3.29Å; N414-K418 WeakPolarHBondContact O-CG 3.43Å; N414-K418 PolarHBondContact O-N 3.16Å; N414-R438 PolarHBondContact OD1-NH1 3.3Å; N414-R438 PolarHBondContact OD1-NH2 3.45Å
415T96.5Very high89Confident45 Ų4561.5 Ų61.528%0.27634%0.343SS..Hα-helixtrans-69.4-46.2177.3-600000111.1H411 L412 E413 K418 V419H411-T415 PolarHBondContact O-N 3.07Å; H411-T415 PolarHBondContact O-OG1 2.85Å; L412-T415 WeakPolarHBondContact O-CB 3.46Å; L412-T415 PolarHBondContact O-N 3.43Å; L412-T415 VanDerWaalsContact O-N 3.11Å; E413-T415 VanDerWaalsContact C-N 3.29Å; E413-T415 PolarHBondContact O-N 3.26Å; T415-K418 PolarHBondContact O-N 3.34Å; T415-V419 PolarHBondContact O-N 3.46Å
416I97.5Very high90.1Very high1 Ų162.3 Ų62.31%0.00534%0.343CS..Hα-helixtrans-64.1-41.8177.7-66.9170.3000110.6V338 A340 M393 W399 L412 E413 K418 V419 A420 I440 I442V338-I416 HydrophobicContact CG1-CD1 4.1Å; V338-I416 HydrophobicContact CG1-CG2 3.61Å; A340-I416 HydrophobicContact CB-CG2 4.09Å; M393-I416 HydrophobicContact CE-CG2 3.77Å; W399-I416 HydrophobicContact CD2-CD1 4.25Å; W399-I416 HydrophobicContact CD2-CG1 3.91Å; W399-I416 HydrophobicContact CE3-CD1 4.09Å; W399-I416 HydrophobicContact CE3-CG1 3.88Å; W399-I416 HydrophobicContact CH2-CG1 4.07Å; W399-I416 HydrophobicContact CZ2-CG1 4.12Å; W399-I416 HydrophobicContact CZ3-CD1 4.49Å; W399-I416 HydrophobicContact CZ3-CG1 3.94Å; L412-I416 HydrophobicContact CD1-CD1 4Å; L412-I416 HydrophobicContact CD1-CG1 4.3Å; L412-I416 HydrophobicContact CG-CD1 3.95Å; L412-I416 WeakPolarHBondContact O-CG1 3.42Å; L412-I416 PolarHBondContact O-N 2.89Å; E413-I416 PolarHBondContact O-N 3.15Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.07Å; I416-V419 PolarHBondContact O-N 2.96Å; I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.89Å; I416-I440 HydrophobicContact CB-CG2 4.03Å; I416-I440 HydrophobicContact CD1-CG2 3.9Å; I416-I440 HydrophobicContact CG2-CD1 4.24Å; I416-I440 HydrophobicContact CG2-CG2 3.76Å; I416-I442 HydrophobicContact CD1-CD1 3.99Å; I416-I442 HydrophobicContact CD1-CG1 4.24Å
417E97.3Very high92Very high31 Ų3154 Ų5415%0.14530%0.299CS..Hα-helixtrans-57.4-45.7175.2-173.7-163.4129.800111.1L342 E413 V419 A420 K421 R438L342-E417 HydrophobicContact CD2-CG 3.89Å; E413-E417 WeakPolarHBondContact O-CB 3.49Å; E413-E417 PolarHBondContact O-N 3.25Å; E417-V419 VanDerWaalsContact C-N 3.3Å; E417-V419 PolarHBondContact O-N 2.73Å; E417-A420 PolarHBondContact O-N 2.89Å; E417-K421 HydrophobicContact CG-CD 4.21Å; E417-K421 HydrophobicContact CG-CG 4.24Å; E417-K421 WeakPolarHBondContact O-CB 3.36Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.02Å; E417-R438 WeakPolarHBondContact OE2-CD 3.45Å; E417-R438 IonicContact OE2-CZ 2.71Å; E417-R438 VanDerWaalsContact OE2-CZ 3.22Å; E417-R438 IonicContact OE2-NE 3.67Å; E417-R438 PolarHBondContact OE2-NE 3.14Å; E417-R438 IonicContact OE2-NH1 3.61Å; E417-R438 PolarHBondContact OE2-NH1 3.14Å
418K97.5Very high93.9Very high141 Ų14150.7 Ų50.761%0.61326%0.263SS*.Hα-helixtrans-59.3-40.9178.3-74.1170.4-1751790112.4N414 T415 I416 T422N414-K418 VanDerWaalsContact O-CG 3.29Å; N414-K418 WeakPolarHBondContact O-CG 3.43Å; N414-K418 PolarHBondContact O-N 3.16Å; T415-K418 PolarHBondContact O-N 3.34Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.07Å; K418-T422 WeakPolarHBondContact O-CB 3.48Å; K418-T422 PolarHBondContact O-N 3.09Å; K418-T422 PolarHBondContact O-OG1 2.86Å
419V98.1Very high95.6Very high45 Ų4555 Ų5527%0.27328%0.278SS..Hα-helixtrans-64.4-48.9175.41760000110I367 M393 W399 T415 I416 E417 K421 T422 V423I367-V419 HydrophobicContact CD1-CG1 4.4Å; M393-V419 HydrophobicContact SD-CG1 3.87Å; W399-V419 HydrophobicContact CH2-CB 4.37Å; W399-V419 HydrophobicContact CH2-CG1 4.36Å; W399-V419 HydrophobicContact CH2-CG2 4.25Å; W399-V419 HydrophobicContact CZ2-CG2 4.03Å; T415-V419 PolarHBondContact O-N 3.46Å; I416-V419 PolarHBondContact O-N 2.96Å; E417-V419 VanDerWaalsContact C-N 3.3Å; E417-V419 PolarHBondContact O-N 2.73Å; V419-K421 PolarHBondContact O-N 3.06Å; V419-T422 WeakPolarHBondContact O-CB 3.17Å; V419-T422 PolarHBondContact O-N 2.87Å; V419-T422 VanDerWaalsContact O-N 3.12Å; V419-V423 WeakPolarHBondContact O-CG2 3.27Å; V419-V423 PolarHBondContact O-N 3.48Å
420A98.4Very high96.2Very high0 Ų051.5 Ų51.50%025%0.254CS..Hα-helixtrans-59.8-43.8178.400000112.4A340 L342 V391 M393 I416 E417 T422 V423 L424A340-A420 HydrophobicContact CB-CB 3.75Å; L342-A420 HydrophobicContact CD1-CB 3.68Å; L342-A420 HydrophobicContact CG-CB 4.4Å; V391-A420 HydrophobicContact CB-CB 3.88Å; V391-A420 HydrophobicContact CG1-CB 4.31Å; V391-A420 HydrophobicContact CG2-CB 3.84Å; M393-A420 HydrophobicContact CE-CB 4.43Å; I416-A420 WeakPolarHBondContact O-CB 3.27Å; I416-A420 PolarHBondContact O-N 2.89Å; E417-A420 PolarHBondContact O-N 2.89Å; A420-T422 VanDerWaalsContact C-N 3.33Å; A420-T422 PolarHBondContact O-N 3.39Å; A420-V423 WeakPolarHBondContact O-CB 3.29Å; A420-V423 PolarHBondContact O-N 2.84Å; A420-L424 WeakPolarHBondContact O-CG 3.41Å; A420-L424 PolarHBondContact O-N 2.98Å
421K97.6Very high96.2Very high46 Ų4649.8 Ų49.820%0.225%0.254CS..Hα-helixtrans-58.4-43.8173.2-73-176.176.4167.70111.9L342 E417 V419 V423 L424 I425 P433 I435L342-K421 HydrophobicContact CD1-CG 4.12Å; E417-K421 HydrophobicContact CG-CD 4.21Å; E417-K421 HydrophobicContact CG-CG 4.24Å; E417-K421 WeakPolarHBondContact O-CB 3.36Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.02Å; V419-K421 PolarHBondContact O-N 3.06Å; K421-V423 VanDerWaalsContact C-N 3.3Å; K421-V423 PolarHBondContact O-N 3.48Å; K421-L424 PolarHBondContact O-N 2.66Å; K421-L424 VanDerWaalsContact O-N 3.17Å; K421-I425 VanDerWaalsContact O-CG1 3.32Å; K421-I425 WeakPolarHBondContact O-CG1 3.5Å; K421-I425 PolarHBondContact O-N 2.93Å; K421-P433 HydrophobicContact CB-CG 4.46Å; K421-P433 WeakPolarHBondContact CE-O 3.36Å; K421-P433 PolarHBondContact NZ-O 2.94Å; K421-I435 HydrophobicContact CD-CD1 4.12Å; K421-I435 HydrophobicContact CD-CG1 3.7Å; K421-I435 HydrophobicContact CG-CD1 3.89Å; K421-I435 HydrophobicContact CG-CG1 4.06Å
422T97.8Very high96Very high71 Ų7148.9 Ų48.944%0.43625%0.254SS..Hα-helixtrans-60.9-40.6177.4-56.80000111.3K418 V419 A420 I425 N426K418-T422 WeakPolarHBondContact O-CB 3.48Å; K418-T422 PolarHBondContact O-N 3.09Å; K418-T422 PolarHBondContact O-OG1 2.86Å; V419-T422 WeakPolarHBondContact O-CB 3.17Å; V419-T422 PolarHBondContact O-N 2.87Å; V419-T422 VanDerWaalsContact O-N 3.12Å; A420-T422 VanDerWaalsContact C-N 3.33Å; A420-T422 PolarHBondContact O-N 3.39Å; T422-I425 PolarHBondContact O-N 2.63Å; T422-N426 WeakPolarHBondContact CG2-ND2 3.47Å; T422-N426 WeakPolarHBondContact O-CB 3.5Å; T422-N426 PolarHBondContact O-N 3.45Å; T422-N426 PolarHBondContact O-ND2 3.39Å
423V98.2Very high95.9Very high10 Ų1048.4 Ų48.46%0.06125%0.252CS..Hα-helixtrans-61.6-44.9173.8174.80000111.1I367 V370 V391 V419 A420 K421 I425 N426 H427I367-V423 HydrophobicContact CD1-CG2 3.55Å; I367-V423 HydrophobicContact CG1-CG2 3.89Å; I367-V423 HydrophobicContact CG2-CG1 4.32Å; V370-V423 HydrophobicContact CG2-CG1 3.66Å; V391-V423 HydrophobicContact CG1-CB 4.23Å; V391-V423 HydrophobicContact CG1-CG1 4.11Å; V391-V423 HydrophobicContact CG1-CG2 4.29Å; V419-V423 WeakPolarHBondContact O-CG2 3.27Å; V419-V423 PolarHBondContact O-N 3.48Å; A420-V423 WeakPolarHBondContact O-CB 3.29Å; A420-V423 PolarHBondContact O-N 2.84Å; K421-V423 VanDerWaalsContact C-N 3.3Å; K421-V423 PolarHBondContact O-N 3.48Å; V423-I425 PolarHBondContact O-N 3.35Å; V423-N426 PolarHBondContact O-N 2.69Å; V423-H427 VanDerWaalsContact O-CB 3.26Å; V423-H427 WeakPolarHBondContact O-CB 3.39Å; V423-H427 PolarHBondContact O-N 2.9Å
424L97.6Very high95.9Very high0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-62.3-42.7177.5-63-171.3000112.3L342 V370 Y389 V391 A420 K421 L428 K429 I430L342-L424 HydrophobicContact CB-CD1 4.39Å; L342-L424 HydrophobicContact CD1-CD1 3.78Å; L342-L424 HydrophobicContact CD1-CG 4.47Å; V370-L424 HydrophobicContact CG1-CD2 3.83Å; Y389-L424 HydrophobicContact CD1-CD2 4.35Å; Y389-L424 HydrophobicContact CD2-CD1 4.48Å; Y389-L424 HydrophobicContact CG-CD1 4.42Å; Y389-L424 HydrophobicContact CG-CD2 4.14Å; V391-L424 HydrophobicContact CG2-CD2 3.89Å; V391-L424 HydrophobicContact CG2-CG 4.25Å; A420-L424 WeakPolarHBondContact O-CG 3.41Å; A420-L424 PolarHBondContact O-N 2.98Å; K421-L424 PolarHBondContact O-N 2.66Å; K421-L424 VanDerWaalsContact O-N 3.17Å; L424-L428 HydrophobicContact CD2-CD1 3.9Å; L424-L428 WeakPolarHBondContact O-CA 3.44Å; L424-L428 WeakPolarHBondContact O-CB 3.12Å; L424-L428 PolarHBondContact O-N 2.9Å; L424-L428 VanDerWaalsContact O-N 3.07Å; L424-K429 PolarHBondContact O-N 3.05Å; L424-I430 HydrophobicContact CB-CD1 4.36Å
425I96.7Very high95.9Very high63 Ų6348.3 Ų48.332%0.32326%0.256SS..Hα-helixtrans-61.3-50.1175.7-66.5162.1000110.2K421 T422 V423 K429 I430 P433K421-I425 VanDerWaalsContact O-CG1 3.32Å; K421-I425 WeakPolarHBondContact O-CG1 3.5Å; K421-I425 PolarHBondContact O-N 2.93Å; T422-I425 PolarHBondContact O-N 2.63Å; V423-I425 PolarHBondContact O-N 3.35Å; I425-K429 WeakPolarHBondContact O-CA 3.46Å; I425-K429 PolarHBondContact O-N 3.09Å; I425-I430 WeakPolarHBondContact CG1-O 3.32Å; I425-P433 HydrophobicContact CD1-CG 4.45Å; I425-P433 HydrophobicContact CG1-CG 4.06Å
426N96.9Very high95.8Very high78 Ų7849 Ų4942%0.41726%0.259SS..Hα-helixtrans-76.3-44.9-172.1-69.5-17.4000112.6T422 V423 K429T422-N426 WeakPolarHBondContact CG2-ND2 3.47Å; T422-N426 WeakPolarHBondContact O-CB 3.5Å; T422-N426 PolarHBondContact O-N 3.45Å; T422-N426 PolarHBondContact O-ND2 3.39Å; V423-N426 PolarHBondContact O-N 2.69Å; N426-K429 WeakPolarHBondContact O-CD 3.42Å; N426-K429 VanDerWaalsContact O-CE 3.24Å; N426-K429 WeakPolarHBondContact O-CE 3.42Å; N426-K429 PolarHBondContact O-NZ 3.43Å
427H97.9Very high95.7Very high19 Ų1949.4 Ų49.49%0.08827%0.265CS..Hα-helixtrans-81.5-42.9-174.3-65.3-161.7000111.7Y103 L108 H357 V423Y103-H427 AromaticContact CD1-CE1 3.66Å; Y103-H427 AromaticContact CD1-NE2 3.75Å; Y103-H427 HydrophobicContact CD2-CB 4.02Å; Y103-H427 AromaticContact CD2-CG 3.79Å; Y103-H427 AromaticContact CD2-ND1 3.96Å; Y103-H427 AromaticContact CE1-CD2 3.61Å; Y103-H427 AromaticContact CE1-CE1 3.82Å; Y103-H427 AromaticContact CE1-NE2 3.4Å; Y103-H427 WeakPolarHBondContact CE1-NE2 3.46Å; Y103-H427 HydrophobicContact CE2-CB 3.85Å; Y103-H427 AromaticContact CE2-CD2 3.63Å; Y103-H427 AromaticContact CE2-CG 3.63Å; Y103-H427 AromaticContact CG-CE1 3.95Å; Y103-H427 AromaticContact CG-ND1 3.83Å; Y103-H427 AromaticContact CZ-CD2 3.29Å; Y103-H427 AromaticContact CZ-CG 3.79Å; Y103-H427 AromaticContact CZ-NE2 3.63Å; L108-H427 VanDerWaalsContact CD1-O 3.3Å; L108-H427 WeakPolarHBondContact CD1-O 3.05Å; H357-H427 AromaticContact CD2-ND1 3.91Å; H357-H427 AromaticContact CE1-ND1 3.81Å; H357-H427 AromaticContact NE2-CE1 3.99Å; H357-H427 AromaticContact NE2-CG 3.76Å; H357-H427 AromaticContact NE2-ND1 2.93Å; H357-H427 PolarHBondContact NE2-ND1 3.41Å; V423-H427 VanDerWaalsContact O-CB 3.26Å; V423-H427 WeakPolarHBondContact O-CB 3.39Å; V423-H427 PolarHBondContact O-N 2.9Å
428L96.6Very high95.6Very high8 Ų851.2 Ų51.24%0.04227%0.27CS..Hα-helixtrans-100.7-5-174.1-50.6-172.8000113.5L108 Y372 Y389 L424 I430L108-L428 HydrophobicContact CD1-CD2 3.82Å; Y372-L428 HydrophobicContact CD1-CD1 4.15Å; Y372-L428 HydrophobicContact CE1-CD1 3.78Å; Y372-L428 HydrophobicContact CE1-CD2 3.54Å; Y372-L428 HydrophobicContact CE1-CG 4.3Å; Y372-L428 WeakPolarHBondContact OH-CD2 3.49Å; Y389-L428 HydrophobicContact CD1-CD1 3.65Å; Y389-L428 HydrophobicContact CE1-CD1 3.4Å; L424-L428 HydrophobicContact CD2-CD1 3.9Å; L424-L428 WeakPolarHBondContact O-CA 3.44Å; L424-L428 WeakPolarHBondContact O-CB 3.12Å; L424-L428 PolarHBondContact O-N 2.9Å; L424-L428 VanDerWaalsContact O-N 3.07Å; L428-I430 HydrophobicContact CB-CD1 3.95Å; L428-I430 HydrophobicContact CB-CG1 3.85Å; L428-I430 HydrophobicContact CD1-CD1 4.01Å; L428-I430 PolarHBondContact O-N 3.09Å
429K95.5Very high95.6Very high112 Ų11246.8 Ų46.849%0.48725%0.252SS..  trans57.335.4-178.5-48.7-55.1-177.8-166.10112.2L351 L424 I425 N426 P431L351-K429 HydrophobicContact CD1-CB 4.08Å; L424-K429 PolarHBondContact O-N 3.05Å; I425-K429 WeakPolarHBondContact O-CA 3.46Å; I425-K429 PolarHBondContact O-N 3.09Å; N426-K429 WeakPolarHBondContact O-CD 3.42Å; N426-K429 VanDerWaalsContact O-CE 3.24Å; N426-K429 WeakPolarHBondContact O-CE 3.42Å; N426-K429 PolarHBondContact O-NZ 3.43Å; K429-P431 WeakPolarHBondContact O-CD 3.42Å
430I94Very high95.5Very high3 Ų345.4 Ų45.42%0.01524%0.243CC..  trans-78.5115.1174.8-60.6175000107.8I344 F348 Y389 L424 I425 L428 D432 P433I344-I430 HydrophobicContact CD1-CD1 3.87Å; I344-I430 HydrophobicContact CD1-CG2 4.29Å; F348-I430 HydrophobicContact CD1-CG2 4.2Å; F348-I430 HydrophobicContact CD2-CG1 4.44Å; F348-I430 HydrophobicContact CD2-CG2 4.21Å; F348-I430 HydrophobicContact CE1-CG2 3.92Å; F348-I430 HydrophobicContact CE2-CB 4.33Å; F348-I430 HydrophobicContact CE2-CD1 3.98Å; F348-I430 HydrophobicContact CE2-CG1 3.66Å; F348-I430 HydrophobicContact CE2-CG2 3.92Å; F348-I430 HydrophobicContact CG-CG2 4.35Å; F348-I430 HydrophobicContact CZ-CB 4.49Å; F348-I430 HydrophobicContact CZ-CD1 3.76Å; F348-I430 HydrophobicContact CZ-CG1 3.91Å; F348-I430 HydrophobicContact CZ-CG2 3.78Å; Y389-I430 HydrophobicContact CE2-CD1 4.07Å; L424-I430 HydrophobicContact CB-CD1 4.36Å; I425-I430 WeakPolarHBondContact CG1-O 3.32Å; L428-I430 HydrophobicContact CB-CD1 3.95Å; L428-I430 HydrophobicContact CB-CG1 3.85Å; L428-I430 HydrophobicContact CD1-CD1 4.01Å; L428-I430 PolarHBondContact O-N 3.09Å; I430-D432 PolarHBondContact O-N 3.46Å; I430-P433 HydrophobicContact CG2-CB 3.91Å; I430-P433 HydrophobicContact CG2-CG 4.41Å
431P88.6Confident95.3Very high96 Ų9646.3 Ų46.362%0.62325%0.249SC*.SBendtrans-74.4122-179.730.2-32.2000109.9K429K429-P431 WeakPolarHBondContact O-CD 3.42Å
432D88.9Confident95.2Very high126 Ų12645.9 Ų45.967%0.67425%0.248SC*.SBendtrans38.767.8175.7-166.925.8000114.8I430 V434I430-D432 PolarHBondContact O-N 3.46Å; D432-V434 PolarHBondContact O-N 3.04Å; D432-V434 VanDerWaalsContact O-N 3.08Å
433P92.6Very high95.1Very high4 Ų443.5 Ų43.53%0.02623%0.233CC..  trans-59.6117.6-176.922-31.2000111.4I344 K421 I425 I430 I435I344-P433 HydrophobicContact CG2-CB 3.92Å; K421-P433 HydrophobicContact CB-CG 4.46Å; K421-P433 WeakPolarHBondContact CE-O 3.36Å; K421-P433 PolarHBondContact NZ-O 2.94Å; I425-P433 HydrophobicContact CD1-CG 4.45Å; I425-P433 HydrophobicContact CG1-CG 4.06Å; I430-P433 HydrophobicContact CG2-CB 3.91Å; I430-P433 HydrophobicContact CG2-CG 4.41Å; P433-I435 PolarHBondContact O-N 2.96Å
434V94.1Very high94.9Very high80 Ų8047.2 Ų47.249%0.48525%0.246SC..  trans-79.2110.6171.2-1790000108.4I344 D345 D432 V436I344-V434 VanDerWaalsContact CA-O 3.3Å; I344-V434 WeakPolarHBondContact CA-O 3.32Å; D345-V434 HydrophobicContact CB-CB 4.04Å; D345-V434 HydrophobicContact CB-CG1 4.45Å; D345-V434 PolarHBondContact N-O 3.1Å; D432-V434 PolarHBondContact O-N 3.04Å; D432-V434 VanDerWaalsContact O-N 3.08Å; V434-V436 HydrophobicContact CG1-CG1 4.5Å; V434-V436 PolarHBondContact O-N 3.5Å
435I95.2Very high94.8Very high35 Ų3550.6 Ų50.618%0.17926%0.264CS..EExtended strand (participates in β ladder)trans-81.1116.6-179.9-53.5-68.9000108.3L342 I344 K421 P433 G437 R438L342-I435 HydrophobicContact CB-CD1 3.9Å; L342-I435 HydrophobicContact CD1-CD1 3.93Å; L342-I435 HydrophobicContact CD2-CD1 4.18Å; L342-I435 HydrophobicContact CG-CD1 4.21Å; I344-I435 HydrophobicContact CG2-CD1 3.55Å; K421-I435 HydrophobicContact CD-CD1 4.12Å; K421-I435 HydrophobicContact CD-CG1 3.7Å; K421-I435 HydrophobicContact CG-CD1 3.89Å; K421-I435 HydrophobicContact CG-CG1 4.06Å; P433-I435 PolarHBondContact O-N 2.96Å; I435-G437 WeakPolarHBondContact CG2-O 3.29Å; I435-R438 HydrophobicContact CG2-CB 4.21Å
436V94.4Very high94.8Very high59 Ų5948 Ų4836%0.35825%0.251SS..EExtended strand (participates in β ladder)trans-101.8-14.4177.4-60.40000112.3E343 D345 K386 V434E343-V436 HydrophobicContact CB-CG2 4.25Å; E343-V436 HydrophobicContact CG-CG2 3.76Å; E343-V436 WeakPolarHBondContact O-CG2 3.34Å; E343-V436 PolarHBondContact O-N 3.46Å; D345-V436 HydrophobicContact CB-CG1 4.15Å; K386-V436 HydrophobicContact CB-CG2 4.37Å; K386-V436 HydrophobicContact CD-CG2 4.32Å; K386-V436 HydrophobicContact CG-CG2 4.11Å; V434-V436 HydrophobicContact CG1-CG1 4.5Å; V434-V436 PolarHBondContact O-N 3.5Å
437G95.2Very high94.8Very high11 Ų1146 Ų4611%0.11324%0.24CC..EExtended strand (participates in β ladder)trans-161.3151.9174.600000110.3E343 I435E343-G437 PolarHBondContact N-O 2.91Å; E343-G437 PolarHBondContact O-N 3.15Å; I435-G437 WeakPolarHBondContact CG2-O 3.29Å
438R95.9Very high94.8Very high68 Ų6845.2 Ų45.226%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-148.8158.1176.272.2-176.7-174.3170.9-14.9112V341 L342 E413 N414 E417 I435V341-R438 CarbonylContact O-C 3.41Å; V341-R438 WeakPolarHBondContact O-CA 3.33Å; L342-R438 HydrophobicContact CD2-CB 4.09Å; E413-R438 PolarHBondContact O-NH1 2.86Å; N414-R438 PolarHBondContact OD1-NH1 3.3Å; N414-R438 PolarHBondContact OD1-NH2 3.45Å; E417-R438 WeakPolarHBondContact OE2-CD 3.45Å; E417-R438 IonicContact OE2-CZ 2.71Å; E417-R438 VanDerWaalsContact OE2-CZ 3.22Å; E417-R438 IonicContact OE2-NE 3.67Å; E417-R438 PolarHBondContact OE2-NE 3.14Å; E417-R438 IonicContact OE2-NH1 3.61Å; E417-R438 PolarHBondContact OE2-NH1 3.14Å; I435-R438 HydrophobicContact CG2-CB 4.21Å
439H96.7Very high94.9Very high49 Ų4946.3 Ų46.323%0.22724%0.242CC..EExtended strand (participates in β ladder)trans-143123161.5-16489.3000109.4Y58 I60 V341 S441Y58-H439 HydrophobicContact CD2-CB 3.76Å; Y58-H439 HydrophobicContact CE2-CB 4.3Å; I60-H439 HydrophobicContact CD1-CB 4.03Å; I60-H439 WeakPolarHBondContact CD1-CD2 3.47Å; V341-H439 HydrophobicContact CB-CB 4.28Å; V341-H439 HydrophobicContact CG2-CB 4.48Å; V341-H439 PolarHBondContact N-O 3.35Å; V341-H439 PolarHBondContact O-N 3.4Å; H439-S441 PolarHBondContact CD2-OG 2.98Å; H439-S441 VanDerWaalsContact CD2-OG 3.27Å; H439-S441 PolarHBondContact NE2-OG 2.97Å
440I96.4Very high95Very high16 Ų1641.2 Ų41.28%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-112.1130.9-179.5-54.9-58.4000108.2S339 A340 L342 E413 I416S339-I440 WeakPolarHBondContact O-CA 3.21Å; A340-I440 HydrophobicContact CB-CD1 3.56Å; L342-I440 HydrophobicContact CD2-CD1 4.49Å; E413-I440 HydrophobicContact CB-CB 4.3Å; E413-I440 HydrophobicContact CB-CG1 4.2Å; E413-I440 HydrophobicContact CG-CB 3.93Å; E413-I440 HydrophobicContact CG-CG1 4.38Å; E413-I440 HydrophobicContact CG-CG2 4.14Å; I416-I440 HydrophobicContact CB-CG2 4.03Å; I416-I440 HydrophobicContact CD1-CG2 3.9Å; I416-I440 HydrophobicContact CG2-CD1 4.24Å; I416-I440 HydrophobicContact CG2-CG2 3.76Å
441S94.8Very high95.2Very high19 Ų1942.4 Ų42.413%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-140.1135.8179.2-710000111.6I60 V338 S339 H439I60-S441 WeakPolarHBondContact CG2-OG 3.39Å; V338-S441 CarbonylContact C-O 3.28Å; V338-S441 VanDerWaalsContact CA-O 3.31Å; V338-S441 WeakPolarHBondContact CA-O 3.4Å; S339-S441 PolarHBondContact N-O 3.44Å; S339-S441 PolarHBondContact O-N 3.34Å; H439-S441 PolarHBondContact CD2-OG 2.98Å; H439-S441 VanDerWaalsContact CD2-OG 3.27Å; H439-S441 PolarHBondContact NE2-OG 2.97Å
442I95.5Very high95.7Very high36 Ų3640.5 Ų40.519%0.18522%0.215CC..EExtended strand (participates in β ladder)trans-105.4100.1171.4-56.3-176.8000107.9V338 P395 W399 L400 L412 I416 R444V338-I442 HydrophobicContact CG2-CG1 4.11Å; P395-I442 HydrophobicContact CB-CG2 4.47Å; W399-I442 HydrophobicContact CB-CD1 4.32Å; L400-I442 HydrophobicContact CD2-CG2 3.87Å; L412-I442 HydrophobicContact CD2-CD1 3.74Å; L412-I442 HydrophobicContact CG-CD1 4.45Å; I416-I442 HydrophobicContact CD1-CD1 3.99Å; I416-I442 HydrophobicContact CD1-CG1 4.24Å; I442-R444 HydrophobicContact CG2-CG 4.33Å; I442-R444 PolarHBondContact O-N 2.84Å
443L95.1Very high96Very high22 Ų2235.4 Ų35.412%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-8492.8179.7-51.9179.6000109.3W45 I60 S336 V337 C446W45-L443 HydrophobicContact CE3-CB 4.41Å; W45-L443 HydrophobicContact CE3-CD2 4.17Å; W45-L443 HydrophobicContact CZ3-CB 4.12Å; W45-L443 HydrophobicContact CZ3-CD2 4.17Å; I60-L443 HydrophobicContact CG2-CD2 4.34Å; S336-L443 CarbonylContact C-O 3.6Å; S336-L443 VanDerWaalsContact CA-O 3.22Å; S336-L443 WeakPolarHBondContact CA-O 3.43Å; S336-L443 WeakPolarHBondContact CB-O 3.27Å; V337-L443 PolarHBondContact N-O 3.48Å; V337-L443 WeakPolarHBondContact O-CA 3.21Å; V337-L443 WeakPolarHBondContact O-CB 3.32Å; V337-L443 PolarHBondContact O-N 3.48Å; L443-C446 HydrophobicContact CB-CB 3.77Å; L443-C446 VanDerWaalsContact CB-SG 3.52Å; L443-C446 PolarHBondContact O-SG 2.74Å
444R94.7Very high96.3Very high88 Ų8835.2 Ų35.233%0.33219%0.19SC..EExtended strand (participates in β ladder)trans-74.9134.1-179.1-70179.4176.6-99-1.7112W45 S336 L400 S403 I442 C446W45-R444 WeakPolarHBondContact CH2-O 3.26Å; S336-R444 WeakPolarHBondContact OG-CA 3.47Å; L400-R444 HydrophobicContact CD2-CG 4.23Å; L400-R444 PolarHBondContact O-NH2 3.4Å; S403-R444 PolarHBondContact OG-NH2 3.46Å; I442-R444 HydrophobicContact CG2-CG 4.33Å; I442-R444 PolarHBondContact O-N 2.84Å; R444-C446 PolarHBondContact O-N 3.32Å; R444-C446 VanDerWaalsContact O-N 3.14Å
445N95.7Very high96.5Very high70 Ų7035 Ų3537%0.37419%0.186SC..EExtended strand (participates in β ladder)trans44.449.8175.3-59.3-29.2000111F309 W334 G335 S336F309-N445 HydrophobicContact CE1-CB 3.95Å; F309-N445 HydrophobicContact CZ-CB 4.06Å; W334-N445 HydrophobicContact CB-CB 3.86Å; W334-N445 VanDerWaalsContact CE3-C 3.49Å; W334-N445 HydrophobicContact CG-CB 4.43Å; W334-N445 WeakPolarHBondContact CZ3-O 3.21Å; G335-N445 CarbonylContact O-C 3.43Å; G335-N445 VanDerWaalsContact O-CA 3.31Å; G335-N445 WeakPolarHBondContact O-CA 3.41Å; S336-N445 PolarHBondContact OG-N 3.29Å
446C96.1Very high96.6Very high9 Ų937.4 Ų37.46%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-96.2-22.5-170.459.90000113.5W45 G335 L443 R444W45-C446 HydrophobicContact CD2-CB 3.67Å; W45-C446 VanDerWaalsContact CE2-CA 3.48Å; W45-C446 HydrophobicContact CE3-CB 3.77Å; W45-C446 HydrophobicContact CG-CB 4.42Å; W45-C446 HydrophobicContact CH2-CB 3.71Å; W45-C446 VanDerWaalsContact CZ2-CA 3.41Å; W45-C446 HydrophobicContact CZ2-CB 3.59Å; W45-C446 HydrophobicContact CZ3-CB 3.79Å; W45-C446 PolarHBondContact NE1-O 3.47Å; G335-C446 PolarHBondContact O-N 2.79Å; L443-C446 HydrophobicContact CB-CB 3.77Å; L443-C446 VanDerWaalsContact CB-SG 3.52Å; L443-C446 PolarHBondContact O-SG 2.74Å; R444-C446 PolarHBondContact O-N 3.32Å; R444-C446 VanDerWaalsContact O-N 3.14Å
447I97.5Very high96.7Very high37 Ų3736.3 Ų36.319%0.1920%0.195CC..EExtended strand (participates in β ladder)trans-124.6118-179.3-54.3170.6000109.6F172 A173 W334 G335 V337 V489F172-I447 HydrophobicContact CD1-CG2 4.31Å; A173-I447 HydrophobicContact CB-CD1 4.03Å; W334-I447 CarbonylContact C-O 3.46Å; W334-I447 WeakPolarHBondContact CA-O 3.5Å; W334-I447 VanDerWaalsContact CE3-C 3.5Å; G335-I447 PolarHBondContact N-O 3.43Å; G335-I447 PolarHBondContact O-N 3.46Å; V337-I447 HydrophobicContact CG2-CD1 3.85Å; I447-V489 HydrophobicContact CG2-CG1 4.23Å
448P98.1Very high96.9Very high1 Ų136.2 Ų36.21%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-71.1143.3172.526.2-26.1000110.1F172 I332 P333 W334 Y450 N484 V489F172-P448 WeakPolarHBondContact CD1-O 3.5Å; I332-P448 HydrophobicContact CG2-CB 3.9Å; P333-P448 CarbonylContact O-C 3.56Å; W334-P448 HydrophobicContact CD2-CB 3.97Å; W334-P448 HydrophobicContact CE3-CB 4.15Å; W334-P448 HydrophobicContact CE3-CG 4.43Å; W334-P448 HydrophobicContact CH2-CB 4.06Å; W334-P448 HydrophobicContact CH2-CG 3.94Å; W334-P448 HydrophobicContact CZ2-CB 3.8Å; W334-P448 HydrophobicContact CZ2-CG 4.15Å; W334-P448 HydrophobicContact CZ3-CB 4.23Å; W334-P448 HydrophobicContact CZ3-CG 4.1Å; P448-Y450 HydrophobicContact CB-CE1 4.08Å; P448-Y450 HydrophobicContact CG-CE1 4.12Å; P448-N484 HydrophobicContact CG-CB 4.23Å; P448-N484 WeakPolarHBondContact CG-O 3.47Å; P448-V489 HydrophobicContact CG-CG1 3.92Å
449Q98Very high96.9Very high32 Ų3235.2 Ų35.215%0.1520%0.198CC..  trans-107.3128176.8-55.7-171.56.800108A174 L179 P333 P451A174-Q449 HydrophobicContact CB-CG 3.83Å; L179-Q449 HydrophobicContact CD2-CB 3.92Å; P333-Q449 HydrophobicContact CB-CB 4.27Å; P333-Q449 WeakPolarHBondContact CD-O 3.34Å; P333-Q449 PolarHBondContact O-N 3.33Å; Q449-P451 WeakPolarHBondContact O-CD 3.46Å
450Y98.4Very high97Very high4 Ų435.8 Ų35.82%0.01620%0.203CC..  trans-97.2102.5-177-56.9-31000110.2F172 L179 S180 A183 P448 H454 N484 G488 V489F172-Y450 AromaticContact CE1-CD2 3.9Å; F172-Y450 HydrophobicContact CE1-CD2 3.9Å; F172-Y450 AromaticContact CE1-CE2 3.95Å; F172-Y450 HydrophobicContact CE1-CE2 3.95Å; F172-Y450 HydrophobicContact CZ-CD2 4.24Å; F172-Y450 HydrophobicContact CZ-CE2 4.35Å; L179-Y450 CarbonylContact C-O 3.58Å; L179-Y450 VanDerWaalsContact CA-O 3.29Å; L179-Y450 WeakPolarHBondContact CA-O 3.26Å; S180-Y450 PolarHBondContact N-O 2.81Å; A183-Y450 HydrophobicContact CB-CD2 3.79Å; A183-Y450 HydrophobicContact CB-CG 4.15Å; P448-Y450 HydrophobicContact CB-CE1 4.08Å; P448-Y450 HydrophobicContact CG-CE1 4.12Å; Y450-H454 AromaticContact CD1-CD2 3.7Å; Y450-H454 AromaticContact CD1-CE1 3.36Å; Y450-H454 WeakPolarHBondContact CD1-CE1 3.25Å; Y450-H454 AromaticContact CD1-CG 3.88Å; Y450-H454 AromaticContact CD1-ND1 3.7Å; Y450-H454 AromaticContact CD1-NE2 3.37Å; Y450-H454 WeakPolarHBondContact CD1-NE2 3.42Å; Y450-H454 AromaticContact CE1-CE1 3.68Å; Y450-H454 AromaticContact CE1-NE2 3.56Å; Y450-H454 AromaticContact CG-CD2 3.64Å; Y450-H454 AromaticContact CG-CG 3.91Å; Y450-H454 AromaticContact CG-NE2 3.78Å; Y450-N484 PolarHBondContact OH-O 2.84Å; Y450-G488 WeakPolarHBondContact OH-CA 3.41Å; Y450-G488 PolarHBondContact OH-N 2.97Å; Y450-V489 HydrophobicContact CE2-CG1 4.18Å
451P98Very high97.1Very high28 Ų2835 Ų3518%0.18220%0.199CC..  trans-72.7163.8177.330.9-35.6000111.8N178 S180 C331 Q449 G453 H454N178-P451 WeakPolarHBondContact O-CA 3.33Å; S180-P451 WeakPolarHBondContact CB-O 3.32Å; C331-P451 WeakPolarHBondContact O-CD 3.26Å; C331-P451 VanDerWaalsContact O-CG 3.27Å; C331-P451 WeakPolarHBondContact O-CG 3.5Å; Q449-P451 WeakPolarHBondContact O-CD 3.46Å; P451-G453 PolarHBondContact O-N 2.72Å; P451-H454 WeakPolarHBondContact O-CB 3.17Å; P451-H454 PolarHBondContact O-N 2.91Å
452P97.9Very high97.2Very high57 Ų5736.1 Ų36.137%0.3720%0.2SC..THydrogen-bonded Turntrans-47.7130.7168.5-28.136.1000112D144 T146D144-P452 HydrophobicContact CB-CB 4.44Å; D144-P452 WeakPolarHBondContact OD2-CA 3.24Å; T146-P452 HydrophobicContact CG2-CG 3.72Å
453G96.8Very high97.2Very high18 Ų1837.8 Ų37.819%0.18621%0.209CC..THydrogen-bonded Turntrans90.8-4.9-175.300000115.3D144 P451 L455 T456 N457D144-G453 PolarHBondContact OD2-N 2.93Å; P451-G453 PolarHBondContact O-N 2.72Å; G453-L455 VanDerWaalsContact C-N 3.34Å; G453-L455 PolarHBondContact O-N 2.81Å; G453-T456 WeakPolarHBondContact O-CB 3.38Å; G453-T456 PolarHBondContact O-N 2.66Å; G453-N457 PolarHBondContact O-N 3.47Å
454H98.2Very high97.2Very high0 Ų037.1 Ų37.10%021%0.208CC..Hα-helixtrans-45.8-52.2178.5176.570.1000113.2A183 Y450 P451 T456 N457 M458 Y486A183-H454 HydrophobicContact CB-CB 4.49Å; Y450-H454 AromaticContact CD1-CD2 3.7Å; Y450-H454 AromaticContact CD1-CE1 3.36Å; Y450-H454 WeakPolarHBondContact CD1-CE1 3.25Å; Y450-H454 AromaticContact CD1-CG 3.88Å; Y450-H454 AromaticContact CD1-ND1 3.7Å; Y450-H454 AromaticContact CD1-NE2 3.37Å; Y450-H454 WeakPolarHBondContact CD1-NE2 3.42Å; Y450-H454 AromaticContact CE1-CE1 3.68Å; Y450-H454 AromaticContact CE1-NE2 3.56Å; Y450-H454 AromaticContact CG-CD2 3.64Å; Y450-H454 AromaticContact CG-CG 3.91Å; Y450-H454 AromaticContact CG-NE2 3.78Å; P451-H454 WeakPolarHBondContact O-CB 3.17Å; P451-H454 PolarHBondContact O-N 2.91Å; H454-T456 VanDerWaalsContact C-N 3.33Å; H454-T456 PolarHBondContact O-N 2.78Å; H454-N457 WeakPolarHBondContact O-CB 3.4Å; H454-N457 PolarHBondContact O-N 3.41Å; H454-N457 VanDerWaalsContact O-N 3.15Å; H454-M458 WeakPolarHBondContact O-CG 3.43Å; H454-M458 PolarHBondContact O-N 2.89Å; H454-Y486 PolarHBondContact NE2-O 3.35Å
455L97Very high97.1Very high76 Ų7633.2 Ų33.240%0.39819%0.194SC..Hα-helixtrans-63.3-37.7-177.4-62.5179.8000113R182 A183 G453 M458 A459R182-L455 HydrophobicContact CB-CD1 4.21Å; R182-L455 HydrophobicContact CG-CD1 3.67Å; A183-L455 HydrophobicContact CB-CD2 4.31Å; A183-L455 HydrophobicContact CB-CG 4.19Å; G453-L455 VanDerWaalsContact C-N 3.34Å; G453-L455 PolarHBondContact O-N 2.81Å; L455-M458 PolarHBondContact O-N 2.78Å; L455-A459 PolarHBondContact O-N 2.67Å
456T97.5Very high96.9Very high86 Ų8635.1 Ų35.153%0.52820%0.195SC..Hα-helixtrans-66.4-43.5175.1-560000110.7G453 H454 M458 A459 N460G453-T456 WeakPolarHBondContact O-CB 3.38Å; G453-T456 PolarHBondContact O-N 2.66Å; H454-T456 VanDerWaalsContact C-N 3.33Å; H454-T456 PolarHBondContact O-N 2.78Å; T456-M458 VanDerWaalsContact C-N 3.32Å; T456-M458 PolarHBondContact O-N 3.45Å; T456-A459 PolarHBondContact O-N 2.91Å; T456-N460 PolarHBondContact O-N 2.94Å
457N98Very high96.4Very high35 Ų3544.1 Ų44.119%0.18723%0.228CC..Hα-helixtrans-61.5-41.2176.1-67.4-12000111.3Y326 G453 H454 A459 N460 L461Y326-N457 HydrophobicContact CD1-CB 3.62Å; Y326-N457 HydrophobicContact CE1-CB 4.01Å; Y326-N457 WeakPolarHBondContact CE1-OD1 3.37Å; Y326-N457 HydrophobicContact CG-CB 4.19Å; G453-N457 PolarHBondContact O-N 3.47Å; H454-N457 WeakPolarHBondContact O-CB 3.4Å; H454-N457 PolarHBondContact O-N 3.41Å; H454-N457 VanDerWaalsContact O-N 3.15Å; N457-A459 PolarHBondContact O-N 2.85Å; N457-N460 PolarHBondContact O-N 2.92Å; N457-L461 VanDerWaalsContact O-CB 3.27Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 PolarHBondContact O-N 2.55Å
458M98Very high95.6Very high9 Ų944.5 Ų44.54%0.04423%0.23CC..Hα-helixtrans-65.5-38.6177.1-67.7-51.697.400111.9I332 H454 L455 T456 L461 R462 Y486I332-M458 HydrophobicContact CD1-CE 3.68Å; I332-M458 HydrophobicContact CD1-SD 4.26Å; I332-M458 HydrophobicContact CG1-CE 4.11Å; H454-M458 WeakPolarHBondContact O-CG 3.43Å; H454-M458 PolarHBondContact O-N 2.89Å; L455-M458 PolarHBondContact O-N 2.78Å; T456-M458 VanDerWaalsContact C-N 3.32Å; T456-M458 PolarHBondContact O-N 3.45Å; M458-L461 HydrophobicContact CE-CD2 4.06Å; M458-L461 PolarHBondContact O-N 3.41Å; M458-L461 HydrophobicContact SD-CD2 4.11Å; M458-R462 WeakPolarHBondContact O-CB 3.34Å; M458-R462 WeakPolarHBondContact O-CG 3.38Å; M458-R462 PolarHBondContact O-N 2.98Å; M458-Y486 HydrophobicContact SD-CD1 3.62Å; M458-Y486 HydrophobicContact SD-CG 4.39Å
459A97.5Very high94.4Very high47 Ų4745.8 Ų45.839%0.38824%0.239SC..Hα-helixtrans-63.5-45.4173.800000111.7L455 T456 N457 R462 N463L455-A459 PolarHBondContact O-N 2.67Å; T456-A459 PolarHBondContact O-N 2.91Å; N457-A459 PolarHBondContact O-N 2.85Å; A459-R462 PolarHBondContact O-N 2.88Å; A459-N463 WeakPolarHBondContact O-CB 3.43Å; A459-N463 PolarHBondContact O-N 2.81Å; A459-N463 PolarHBondContact O-ND2 2.87Å
460N97.9Very high92.9Very high62 Ų6248.9 Ų48.933%0.33226%0.264SS..Hα-helixtrans-62.4-43.4176.5-70.5-19.3000112Y326 T456 N457 N463 G464Y326-N460 HydrophobicContact CD2-CB 4.27Å; Y326-N460 HydrophobicContact CE2-CB 3.6Å; Y326-N460 PolarHBondContact OH-ND2 2.87Å; T456-N460 PolarHBondContact O-N 2.94Å; N457-N460 PolarHBondContact O-N 2.92Å; N460-N463 PolarHBondContact O-N 2.83Å; N460-G464 PolarHBondContact O-N 3.06Å
461L98Very high90.9Very high0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-59-52.2176.3173.458.9000111.8L319 I323 Y326 L327 N457 M458 N463 G464 I465 L481L319-L461 HydrophobicContact CD1-CD1 4.48Å; I323-L461 HydrophobicContact CG2-CD1 3.77Å; Y326-L461 HydrophobicContact CD2-CB 4.17Å; L327-L461 HydrophobicContact CD1-CD1 4.09Å; L327-L461 HydrophobicContact CD2-CD2 3.61Å; L327-L461 HydrophobicContact CG-CD1 3.94Å; L327-L461 HydrophobicContact CG-CD2 3.79Å; N457-L461 VanDerWaalsContact O-CB 3.27Å; N457-L461 WeakPolarHBondContact O-CB 3.34Å; N457-L461 PolarHBondContact O-N 2.55Å; M458-L461 HydrophobicContact CE-CD2 4.06Å; M458-L461 PolarHBondContact O-N 3.41Å; M458-L461 HydrophobicContact SD-CD2 4.11Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 2.82Å; L461-G464 PolarHBondContact O-N 3.05Å; L461-G464 VanDerWaalsContact O-N 3.15Å; L461-I465 HydrophobicContact CD1-CD1 3.94Å; L461-I465 HydrophobicContact CD1-CG1 4.36Å; L461-I465 HydrophobicContact CG-CD1 4.2Å; L461-I465 WeakPolarHBondContact O-CG1 3.41Å; L461-I465 PolarHBondContact O-N 3.43Å; L461-L481 HydrophobicContact CD1-CD1 4.37Å; L461-L481 HydrophobicContact CD2-CD1 3.45Å; L461-L481 VanDerWaalsContact CD2-CD1 3.45Å; L461-L481 HydrophobicContact CG-CD1 3.69Å
462R96.9Very high88.8Confident42 Ų4252.1 Ų52.116%0.15829%0.293CS..Hα-helixtrans-61.1-40.5177.9-69.9-178.3-171.5-72.70.6111.5M458 A459 G464 I465 R466 L481 D487M458-R462 WeakPolarHBondContact O-CB 3.34Å; M458-R462 WeakPolarHBondContact O-CG 3.38Å; M458-R462 PolarHBondContact O-N 2.98Å; A459-R462 PolarHBondContact O-N 2.88Å; R462-G464 PolarHBondContact O-N 3.22Å; R462-I465 PolarHBondContact O-N 2.78Å; R462-R466 WeakPolarHBondContact O-CG 3.36Å; R462-R466 PolarHBondContact O-N 3.18Å; R462-L481 PolarHBondContact NH1-O 3.09Å; R462-L481 PolarHBondContact NH2-O 3.34Å; R462-D487 IonicContact CZ-OD1 3.08Å; R462-D487 VanDerWaalsContact NH2-CG 3.25Å; R462-D487 IonicContact NH2-OD1 3.38Å; R462-D487 PolarHBondContact NH2-OD1 2.87Å; R462-D487 IonicContact NH2-OD2 2.91Å; R462-D487 PolarHBondContact NH2-OD2 3.4Å
463N95.5Very high86.4Confident70 Ų7055.6 Ų55.637%0.37432%0.318SS..Hα-helixtrans-63.8-39.7174.9-73-22.1000112.6A459 N460 L461 R466 R467A459-N463 WeakPolarHBondContact O-CB 3.43Å; A459-N463 PolarHBondContact O-N 2.81Å; A459-N463 PolarHBondContact O-ND2 2.87Å; N460-N463 PolarHBondContact O-N 2.83Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 2.82Å; N463-R466 PolarHBondContact O-N 2.83Å; N463-R466 PolarHBondContact OD1-NH1 3.31Å; N463-R467 WeakPolarHBondContact O-CG 3.36Å; N463-R467 PolarHBondContact O-N 3.24Å
464G94.8Very high84.2Confident9 Ų959.8 Ų59.89%0.09335%0.345CS..Hα-helixtrans-61.6-44.4174.200000112.5N460 L461 R462 R467N460-G464 PolarHBondContact O-N 3.06Å; L461-G464 PolarHBondContact O-N 3.05Å; L461-G464 VanDerWaalsContact O-N 3.15Å; R462-G464 PolarHBondContact O-N 3.22Å; G464-R467 PolarHBondContact O-N 3.27Å
465I94.1Very high82.2Confident6 Ų661.6 Ų61.63%0.03136%0.364CS..Hα-helixtrans-64-42.6177.2-70170.3000111.8L319 L461 R462 R467 I468 S469 I479 L481L319-I465 HydrophobicContact CD2-CG1 3.73Å; L461-I465 HydrophobicContact CD1-CD1 3.94Å; L461-I465 HydrophobicContact CD1-CG1 4.36Å; L461-I465 HydrophobicContact CG-CD1 4.2Å; L461-I465 WeakPolarHBondContact O-CG1 3.41Å; L461-I465 PolarHBondContact O-N 3.43Å; R462-I465 PolarHBondContact O-N 2.78Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 2.77Å; I465-I468 WeakPolarHBondContact O-CB 3.45Å; I465-I468 PolarHBondContact O-N 3.28Å; I465-I468 VanDerWaalsContact O-N 3.16Å; I465-S469 PolarHBondContact O-N 3.34Å; I465-S469 PolarHBondContact O-OG 3.35Å; I465-I479 HydrophobicContact CG2-CB 3.65Å; I465-I479 HydrophobicContact CG2-CG2 3.86Å; I465-I479 VanDerWaalsContact CG2-O 3.25Å; I465-I479 WeakPolarHBondContact CG2-O 3.44Å; I465-L481 HydrophobicContact CD1-CD1 3.52Å; I465-L481 HydrophobicContact CD1-CD2 3.93Å; I465-L481 HydrophobicContact CD1-CG 3.65Å
466R90.8Very high81Confident109 Ų10964.4 Ų64.441%0.41137%0.369SS..Hα-helixtrans-59.8-39179.1-75.1175.3-170.1139-1.3112.8R462 N463 I468 S469 S470 E504R462-R466 WeakPolarHBondContact O-CG 3.36Å; R462-R466 PolarHBondContact O-N 3.18Å; N463-R466 PolarHBondContact O-N 2.83Å; N463-R466 PolarHBondContact OD1-NH1 3.31Å; R466-I468 PolarHBondContact O-N 2.99Å; R466-S469 PolarHBondContact O-N 3.39Å; R466-S469 VanDerWaalsContact O-N 3.09Å; R466-S470 PolarHBondContact O-N 3.27Å; R466-S470 PolarHBondContact O-OG 3.5Å; R466-E504 IonicContact CZ-OE1 3.48Å; R466-E504 IonicContact NE-OE1 2.98Å; R466-E504 PolarHBondContact NE-OE1 2.89Å; R466-E504 IonicContact NH2-OE1 2.84Å; R466-E504 PolarHBondContact NH2-OE1 2.92Å; R466-E504 IonicContact NH2-OE2 3.84Å
467R86.4Confident80.4Confident199 Ų19961 Ų6175%0.75135%0.349SS*.Hα-helixtrans-62-27.9178.9-71.7175.3-178.1-178.41.4113.3N463 G464 I465 S470N463-R467 WeakPolarHBondContact O-CG 3.36Å; N463-R467 PolarHBondContact O-N 3.24Å; G464-R467 PolarHBondContact O-N 3.27Å; I465-R467 VanDerWaalsContact C-N 3.31Å; I465-R467 PolarHBondContact O-N 2.77Å; R467-S470 PolarHBondContact O-OG 3.33Å; R467-S470 VanDerWaalsContact O-OG 3.12Å
468I80.9Confident80.1Confident45 Ų4559.3 Ų59.323%0.23134%0.34CS..Hα-helixtrans-76.3-38.9176.1-62.6170.9000110.4I318 L319 I465 R466 H472I318-I468 HydrophobicContact CG2-CD1 3.74Å; I318-I468 HydrophobicContact CG2-CG2 4.08Å; I318-I468 VanDerWaalsContact O-CD1 3.29Å; I318-I468 WeakPolarHBondContact O-CD1 3.4Å; L319-I468 HydrophobicContact CD2-CD1 3.49Å; L319-I468 VanDerWaalsContact CD2-CD1 3.49Å; I465-I468 WeakPolarHBondContact O-CB 3.45Å; I465-I468 PolarHBondContact O-N 3.28Å; I465-I468 VanDerWaalsContact O-N 3.16Å; R466-I468 PolarHBondContact O-N 2.99Å; I468-H472 PolarHBondContact O-CE1 3.31Å; I468-H472 PolarHBondContact O-ND1 3.42Å
469S72.9Confident80Confident28 Ų2859.4 Ų59.420%0.19634%0.34CS..Hα-helixtrans-73.6-26.5-177.5-51.50000112.6I465 R466 G471I465-S469 PolarHBondContact O-N 3.34Å; I465-S469 PolarHBondContact O-OG 3.35Å; R466-S469 PolarHBondContact O-N 3.39Å; R466-S469 VanDerWaalsContact O-N 3.09Å; S469-G471 VanDerWaalsContact C-N 3.3Å; S469-G471 PolarHBondContact O-N 2.8Å
470S65.3Low80Confident97 Ų9758.1 Ų58.168%0.67833%0.325SS*.THydrogen-bonded Turntrans-77.6-8.917958.90000114.9R466 R467R466-S470 PolarHBondContact O-N 3.27Å; R466-S470 PolarHBondContact O-OG 3.5Å; R467-S470 PolarHBondContact O-OG 3.33Å; R467-S470 VanDerWaalsContact O-OG 3.12Å
471G56.3Low80Confident58 Ų5855.3 Ų55.360%0.59831%0.31SS*.THydrogen-bonded Turntrans-85-2.9-172.600000115.6S469S469-G471 VanDerWaalsContact C-N 3.3Å; S469-G471 PolarHBondContact O-N 2.8Å
472H54.6Low80.1Confident42 Ų4255.4 Ų55.419%0.19431%0.311CS..  trans-96.8106.3-170.3-58.892.8000112.3S275 I468 S474 S477S275-H472 PolarHBondContact OG-NE2 3.06Å; S275-H472 VanDerWaalsContact OG-NE2 3.1Å; I468-H472 PolarHBondContact O-CE1 3.31Å; I468-H472 PolarHBondContact O-ND1 3.42Å; H472-S474 VanDerWaalsContact C-N 3.25Å; H472-S474 PolarHBondContact O-N 3.13Å; H472-S477 PolarHBondContact CE1-OG 3.22Å; H472-S477 VanDerWaalsContact CE1-OG 3.3Å; H472-S477 PolarHBondContact ND1-OG 3.15Å
473S48.1Very low80.1Confident130 Ų13053.4 Ų53.491%0.90930%0.304SS*.THydrogen-bonded Turntrans-71.1-6-176.6-46.80000115.8
474S48.8Very low80.1Confident106 Ų10651.9 Ų51.974%0.74130%0.295SS*.THydrogen-bonded Turntrans-1409.9-166.856.60000116.7H472H472-S474 VanDerWaalsContact C-N 3.25Å; H472-S474 PolarHBondContact O-N 3.13Å
475G57.9Low80.3Confident38 Ų3851.7 Ų51.739%0.39229%0.292SS..SBendtrans-171.5154.6178.300000112.8S477G475-S477 PolarHBondContact O-N 3.05Å
476R70.8Confident80.5Confident134 Ų13451.5 Ų51.551%0.50629%0.291SS..  trans-74.5112.2173.3-80.1-176.4179.1144.12.1108.7S509R476-S509 PolarHBondContact NH2-O 3.39Å
477S84.6Confident80.7Confident15 Ų1549.2 Ų49.211%0.10529%0.287CS..  trans-121.2145.5170.980.50000110D300 H472 G475D300-S477 VanDerWaalsContact O-CA 3.24Å; D300-S477 WeakPolarHBondContact O-CA 3.36Å; H472-S477 PolarHBondContact CE1-OG 3.22Å; H472-S477 VanDerWaalsContact CE1-OG 3.3Å; H472-S477 PolarHBondContact ND1-OG 3.15Å; G475-S477 PolarHBondContact O-N 3.05Å
478G92.3Very high81Confident0 Ų040.4 Ų40.40%026%0.258CS..EExtended strand (participates in β ladder)trans-159.9144.6177.800000113.5D300 I301 V302D300-G478 PolarHBondContact O-N 3.12Å; I301-G478 CarbonylContact C-O 3.31Å; I301-G478 WeakPolarHBondContact CA-O 3.39Å; V302-G478 PolarHBondContact N-O 2.95Å
479I95.9Very high81.7Confident10 Ų1039.6 Ų39.65%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-121.5127.5171.6-64.3172.1000108.4L273 F280 V302 F304 L315 I318 I465L273-I479 HydrophobicContact CD2-CD1 3.99Å; L273-I479 HydrophobicContact CD2-CG1 4.47Å; F280-I479 HydrophobicContact CD1-CD1 4.46Å; F280-I479 HydrophobicContact CE1-CD1 3.75Å; F280-I479 HydrophobicContact CE1-CG1 4.14Å; F280-I479 HydrophobicContact CE2-CD1 4.42Å; F280-I479 HydrophobicContact CE2-CG1 3.89Å; F280-I479 HydrophobicContact CZ-CD1 3.73Å; F280-I479 HydrophobicContact CZ-CG1 3.63Å; V302-I479 WeakPolarHBondContact O-CA 3.42Å; F304-I479 HydrophobicContact CD2-CG2 3.72Å; F304-I479 HydrophobicContact CE2-CG2 3.74Å; L315-I479 HydrophobicContact CD1-CG2 4.46Å; L315-I479 HydrophobicContact CD2-CD1 4.04Å; I318-I479 HydrophobicContact CD1-CD1 4.45Å; I318-I479 HydrophobicContact CG2-CD1 4.2Å; I465-I479 HydrophobicContact CG2-CB 3.65Å; I465-I479 HydrophobicContact CG2-CG2 3.86Å; I465-I479 VanDerWaalsContact CG2-O 3.25Å; I465-I479 WeakPolarHBondContact CG2-O 3.44Å
480Y97.5Very high82.7Confident21 Ų2139.4 Ų39.48%0.08226%0.257CS..EExtended strand (participates in β ladder)trans-125.4138.8-179.7-58.5-87.3000110.6I301 V302 F303 F304 E504 E505 S508I301-Y480 HydrophobicContact CG2-CD2 3.79Å; I301-Y480 HydrophobicContact CG2-CE2 3.66Å; V302-Y480 PolarHBondContact O-N 3.44Å; F303-Y480 WeakPolarHBondContact CA-O 3.24Å; F303-Y480 HydrophobicContact CD1-CD2 4.22Å; F303-Y480 HydrophobicContact CD1-CG 4.12Å; F303-Y480 AromaticContact CE1-CD2 3.8Å; F303-Y480 HydrophobicContact CE1-CD2 3.8Å; F303-Y480 AromaticContact CE1-CG 3.78Å; F303-Y480 HydrophobicContact CE1-CG 3.78Å; F303-Y480 HydrophobicContact CE2-CD2 4.4Å; F303-Y480 AromaticContact CZ-CD2 3.9Å; F303-Y480 HydrophobicContact CZ-CD2 3.9Å; F303-Y480 HydrophobicContact CZ-CE2 4.49Å; F303-Y480 HydrophobicContact CZ-CG 4.33Å; F304-Y480 PolarHBondContact N-O 3.24Å; Y480-E504 HydrophobicContact CD1-CB 4.37Å; Y480-E504 HydrophobicContact CD1-CG 4.46Å; Y480-E504 HydrophobicContact CE1-CB 4.03Å; Y480-E504 HydrophobicContact CE1-CG 3.89Å; Y480-E505 HydrophobicContact CD2-CB 4.37Å; Y480-E505 HydrophobicContact CE1-CB 4.16Å; Y480-E505 HydrophobicContact CE2-CB 3.74Å; Y480-E505 HydrophobicContact CE2-CG 3.76Å; Y480-E505 WeakPolarHBondContact OH-CA 3.48Å; Y480-S508 PolarHBondContact OH-OG 3.07Å
481L98.4Very high84.3Confident3 Ų335.9 Ų35.92%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-103.5126.5177.8-57.6-176.9000109.5F304 T311 L327 L461 R462 I465 Y486F304-L481 HydrophobicContact CB-CD2 4Å; F304-L481 HydrophobicContact CD2-CD2 4.42Å; T311-L481 HydrophobicContact CG2-CD2 3.87Å; L327-L481 HydrophobicContact CD2-CD1 4.34Å; L461-L481 HydrophobicContact CD1-CD1 4.37Å; L461-L481 HydrophobicContact CD2-CD1 3.45Å; L461-L481 VanDerWaalsContact CD2-CD1 3.45Å; L461-L481 HydrophobicContact CG-CD1 3.69Å; R462-L481 PolarHBondContact NH1-O 3.09Å; R462-L481 PolarHBondContact NH2-O 3.34Å; I465-L481 HydrophobicContact CD1-CD1 3.52Å; I465-L481 HydrophobicContact CD1-CD2 3.93Å; I465-L481 HydrophobicContact CD1-CG 3.65Å; L481-Y486 HydrophobicContact CB-CD2 3.8Å; L481-Y486 HydrophobicContact CB-CE1 4.35Å; L481-Y486 HydrophobicContact CB-CE2 3.57Å; L481-Y486 HydrophobicContact CB-CG 4.28Å; L481-Y486 HydrophobicContact CD1-CD1 4.37Å; L481-Y486 HydrophobicContact CD1-CE1 3.99Å; L481-Y486 HydrophobicContact CG-CE2 4.46Å
482V98.6Very high86.2Confident1 Ų133.2 Ų33.21%0.00620%0.203CC..  trans-132.7136.5-172.9-169.20000111.6F303 F304 C305 S497 A498 A501F303-V482 HydrophobicContact CB-CG2 4.46Å; F303-V482 HydrophobicContact CD1-CG2 3.88Å; F304-V482 PolarHBondContact O-N 3.38Å; C305-V482 WeakPolarHBondContact CA-O 3.25Å; V482-S497 WeakPolarHBondContact CA-OG 3.3Å; V482-A498 VanDerWaalsContact CG1-CA 3.43Å; V482-A498 HydrophobicContact CG1-CB 3.81Å; V482-A501 HydrophobicContact CG2-CB 3.52Å
483G97.6Very high88.1Confident1 Ų132.6 Ų32.61%0.0120%0.201CC..SBendtrans103.9-161.1165.800000115.2S14 S485 Y486 D487 S497S14-G483 WeakPolarHBondContact OG-CA 3.45Å; G483-S485 PolarHBondContact O-N 3.16Å; G483-S485 VanDerWaalsContact O-N 3.13Å; G483-Y486 PolarHBondContact O-N 3.35Å; G483-D487 PolarHBondContact O-N 2.65Å; G483-S497 PolarHBondContact N-OG 3.25Å
484N96.6Very high90.4Very high38 Ų3826.5 Ų26.520%0.20316%0.159CC..THydrogen-bonded Turntrans-65.7-23.1-161.6-63.11.5000114.6P448 Y450 Y486 G488 V489 A494P448-N484 HydrophobicContact CG-CB 4.23Å; P448-N484 WeakPolarHBondContact CG-O 3.47Å; Y450-N484 PolarHBondContact OH-O 2.84Å; N484-Y486 PolarHBondContact O-N 3.35Å; N484-Y486 VanDerWaalsContact O-N 3.09Å; N484-G488 VanDerWaalsContact CA-O 3.28Å; N484-G488 WeakPolarHBondContact CA-O 3.47Å; N484-G488 PolarHBondContact OD1-O 3.46Å; N484-V489 PolarHBondContact ND2-O 2.86Å; N484-A494 WeakPolarHBondContact OD1-CB 3.4Å
485S97.8Very high92.8Very high4 Ų421.5 Ų21.53%0.02812%0.124CC..THydrogen-bonded Turntrans-55.4-26.2173.1-59.80000112.9S308 W334 G483S308-S485 PolarHBondContact N-OG 3.44Å; S308-S485 VanDerWaalsContact N-OG 3.09Å; W334-S485 WeakPolarHBondContact CZ2-OG 3.48Å; G483-S485 PolarHBondContact O-N 3.16Å; G483-S485 VanDerWaalsContact O-N 3.13Å
486Y97.8Very high94.6Very high2 Ų222.4 Ų22.41%0.00812%0.116CC..THydrogen-bonded Turntrans-123.9-52.6-162-42.2-60.5000112.9T311 L327 H454 M458 L481 G483 N484T311-Y486 PolarHBondContact OG1-OH 3.1Å; L327-Y486 HydrophobicContact CD2-CE1 3.67Å; H454-Y486 PolarHBondContact NE2-O 3.35Å; M458-Y486 HydrophobicContact SD-CD1 3.62Å; M458-Y486 HydrophobicContact SD-CG 4.39Å; L481-Y486 HydrophobicContact CB-CD2 3.8Å; L481-Y486 HydrophobicContact CB-CE1 4.35Å; L481-Y486 HydrophobicContact CB-CE2 3.57Å; L481-Y486 HydrophobicContact CB-CG 4.28Å; L481-Y486 HydrophobicContact CD1-CD1 4.37Å; L481-Y486 HydrophobicContact CD1-CE1 3.99Å; L481-Y486 HydrophobicContact CG-CE2 4.46Å; G483-Y486 PolarHBondContact O-N 3.35Å; N484-Y486 PolarHBondContact O-N 3.35Å; N484-Y486 VanDerWaalsContact O-N 3.09Å
487D95Very high95.9Very high62 Ų6216.1 Ų16.133%0.3329%0.092SC..SBendtrans-118.924.6-157.3-51.1-50.7000114.2R462 G483 S497R462-D487 IonicContact CZ-OD1 3.08Å; R462-D487 VanDerWaalsContact NH2-CG 3.25Å; R462-D487 IonicContact NH2-OD1 3.38Å; R462-D487 PolarHBondContact NH2-OD1 2.87Å; R462-D487 IonicContact NH2-OD2 2.91Å; R462-D487 PolarHBondContact NH2-OD2 3.4Å; G483-D487 PolarHBondContact O-N 2.65Å; D487-S497 WeakPolarHBondContact OD2-CB 3.29Å; D487-S497 PolarHBondContact OD2-OG 3.06Å
488G94.5Very high96.5Very high13 Ų1315.4 Ų15.413%0.1349%0.087CC..  trans114.9147.6-17900000112.9Y450 N484Y450-G488 WeakPolarHBondContact OH-CA 3.41Å; Y450-G488 PolarHBondContact OH-N 2.97Å; N484-G488 VanDerWaalsContact CA-O 3.28Å; N484-G488 WeakPolarHBondContact CA-O 3.47Å; N484-G488 PolarHBondContact OD1-O 3.46Å
489V95Very high96.8Very high29 Ų2915.4 Ų15.418%0.1769%0.087CC..SBendtrans-91.5-9.8-171.8-640000114.5I171 F172 I447 P448 Y450 N484I171-V489 HydrophobicContact CG2-CG2 3.94Å; F172-V489 HydrophobicContact CD1-CG1 3.98Å; F172-V489 HydrophobicContact CD1-CG2 4.17Å; F172-V489 HydrophobicContact CE1-CB 4.24Å; F172-V489 HydrophobicContact CE1-CG1 3.52Å; F172-V489 HydrophobicContact CE1-CG2 3.65Å; F172-V489 HydrophobicContact CZ-CG1 4.43Å; F172-V489 HydrophobicContact CZ-CG2 3.85Å; I447-V489 HydrophobicContact CG2-CG1 4.23Å; P448-V489 HydrophobicContact CG-CG1 3.92Å; Y450-V489 HydrophobicContact CE2-CG1 4.18Å; N484-V489 PolarHBondContact ND2-O 2.86Å
490G94.5Very high96.8Very high23 Ų2317 Ų1724%0.23710%0.099CC..SBendtrans-80.6156.8-178.700000113.1N492 D493 A494G490-N492 VanDerWaalsContact C-N 3.27Å; G490-N492 PolarHBondContact O-N 3.19Å; G490-D493 WeakPolarHBondContact CA-OD2 3.34Å; G490-D493 PolarHBondContact N-OD2 2.85Å; G490-D493 WeakPolarHBondContact O-CA 3.36Å; G490-D493 WeakPolarHBondContact O-CB 3.45Å; G490-D493 PolarHBondContact O-N 3.41Å; G490-A494 PolarHBondContact O-N 3.38Å
491L97.3Very high96.7Very high23 Ų2316.2 Ų16.212%0.1210%0.096CC..Hα-helixtrans-57-40176.3-58.6-173.7000113L13 I46 P62 A65 L75 L244 D493 A494 V495L13-L491 HydrophobicContact CD2-CB 3.98Å; L13-L491 HydrophobicContact CD2-CD2 3.85Å; L13-L491 HydrophobicContact CD2-CG 4.43Å; I46-L491 HydrophobicContact CD1-CD1 4.37Å; I46-L491 HydrophobicContact CD1-CD2 3.87Å; I46-L491 HydrophobicContact CG1-CD2 4.18Å; P62-L491 HydrophobicContact CB-CD1 4.15Å; P62-L491 HydrophobicContact CB-CD2 4.29Å; P62-L491 HydrophobicContact CB-CG 4.35Å; P62-L491 HydrophobicContact CG-CD1 4.21Å; P62-L491 HydrophobicContact CG-CD2 4.06Å; A65-L491 HydrophobicContact CB-CD1 4.21Å; L75-L491 HydrophobicContact CD2-CB 4.06Å; L244-L491 HydrophobicContact CD1-CD1 3.85Å; L491-D493 PolarHBondContact O-N 2.9Å; L491-A494 PolarHBondContact O-N 2.91Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.24Å; L491-V495 PolarHBondContact O-N 3.33Å; L491-V495 VanDerWaalsContact O-N 3.17Å
492N96.2Very high96.6Very high3 Ų316 Ų162%0.01610%0.095CC..Hα-helixtrans-63.8-33.4176.7-60.9-22.5000111.6R66 S69 T71 S72 L75 G490 Y496R66-N492 PolarHBondContact O-ND2 2.72Å; R66-N492 VanDerWaalsContact O-ND2 3.11Å; S69-N492 PolarHBondContact OG-ND2 2.9Å; T71-N492 WeakPolarHBondContact OG1-CB 3.27Å; S72-N492 WeakPolarHBondContact CB-ND2 3.32Å; L75-N492 VanDerWaalsContact CD2-OD1 3.29Å; L75-N492 WeakPolarHBondContact CD2-OD1 3.37Å; G490-N492 VanDerWaalsContact C-N 3.27Å; G490-N492 PolarHBondContact O-N 3.19Å; N492-Y496 WeakPolarHBondContact O-CB 3.48Å; N492-Y496 PolarHBondContact O-N 2.88Å
493D95.4Very high96.5Very high29 Ų2916.7 Ų16.716%0.15510%0.101CC..Hα-helixtrans-77.3-40.1-177.2-50.9-37.4000110.2R66 T71 G490 L491 V495 Y496 S497R66-D493 IonicContact NH2-OD2 2.76Å; T71-D493 PolarHBondContact OG1-OD1 2.8Å; G490-D493 WeakPolarHBondContact CA-OD2 3.34Å; G490-D493 PolarHBondContact N-OD2 2.85Å; G490-D493 WeakPolarHBondContact O-CA 3.36Å; G490-D493 WeakPolarHBondContact O-CB 3.45Å; G490-D493 PolarHBondContact O-N 3.41Å; L491-D493 PolarHBondContact O-N 2.9Å; D493-V495 VanDerWaalsContact C-N 3.31Å; D493-V495 PolarHBondContact O-N 2.77Å; D493-Y496 PolarHBondContact O-N 2.84Å; D493-S497 WeakPolarHBondContact O-CB 3.34Å; D493-S497 PolarHBondContact O-N 3.1Å
494A97Very high96.2Very high2 Ų219.1 Ų19.12%0.01711%0.112CC..Hα-helixtrans-54.5-46.2170.300000112.5L13 N484 G490 L491 S497 A498L13-A494 HydrophobicContact CD2-CB 4.35Å; N484-A494 WeakPolarHBondContact OD1-CB 3.4Å; G490-A494 PolarHBondContact O-N 3.38Å; L491-A494 PolarHBondContact O-N 2.91Å; A494-S497 WeakPolarHBondContact O-CB 3.37Å; A494-S497 PolarHBondContact O-N 3.38Å; A494-A498 PolarHBondContact O-N 3.45Å; A494-A498 VanDerWaalsContact O-N 3.08Å
495V97.8Very high95.9Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-67.7-41.1179.1167.70000111.4L13 V17 L74 L75 I78 L491 D493 A498 A499L13-V495 HydrophobicContact CD2-CG2 3.96Å; L13-V495 HydrophobicContact CG-CG2 4.28Å; V17-V495 HydrophobicContact CG1-CB 4.49Å; V17-V495 HydrophobicContact CG1-CG1 4.2Å; V17-V495 HydrophobicContact CG1-CG2 4.37Å; V17-V495 HydrophobicContact CG2-CG2 4.05Å; L74-V495 HydrophobicContact CB-CG1 4.29Å; L74-V495 HydrophobicContact CD2-CG1 3.7Å; L74-V495 HydrophobicContact CG-CG1 3.63Å; L75-V495 HydrophobicContact CB-CB 4.41Å; L75-V495 HydrophobicContact CB-CG1 4.22Å; L75-V495 HydrophobicContact CB-CG2 4.19Å; L75-V495 HydrophobicContact CD1-CG2 3.81Å; L75-V495 HydrophobicContact CG-CG2 4.37Å; I78-V495 HydrophobicContact CD1-CG1 3.63Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.24Å; L491-V495 PolarHBondContact O-N 3.33Å; L491-V495 VanDerWaalsContact O-N 3.17Å; D493-V495 VanDerWaalsContact C-N 3.31Å; D493-V495 PolarHBondContact O-N 2.77Å; V495-A498 PolarHBondContact O-N 3.32Å; V495-A499 PolarHBondContact O-N 3.15Å; V495-A499 VanDerWaalsContact O-N 3.09Å
496Y96.5Very high95.3Very high58 Ų5818.2 Ų18.223%0.22711%0.106CC..Hα-helixtrans-66.8-40.6176.5-178.6-111.8000112.2T71 L74 I214 N492 D493 A498 A499 C500T71-Y496 HydrophobicContact CG2-CD1 3.97Å; T71-Y496 HydrophobicContact CG2-CD2 4.43Å; T71-Y496 HydrophobicContact CG2-CG 3.73Å; L74-Y496 HydrophobicContact CD2-CD2 4.42Å; I214-Y496 HydrophobicContact CD1-CE1 4.39Å; I214-Y496 HydrophobicContact CG2-CD2 3.74Å; I214-Y496 HydrophobicContact CG2-CE1 3.95Å; I214-Y496 HydrophobicContact CG2-CE2 3.04Å; I214-Y496 HydrophobicContact CG2-CG 4.43Å; I214-Y496 VanDerWaalsContact CG2-OH 3.31Å; I214-Y496 WeakPolarHBondContact CG2-OH 3.36Å; N492-Y496 WeakPolarHBondContact O-CB 3.48Å; N492-Y496 PolarHBondContact O-N 2.88Å; D493-Y496 PolarHBondContact O-N 2.84Å; Y496-A498 VanDerWaalsContact C-N 3.31Å; Y496-A498 PolarHBondContact O-N 2.82Å; Y496-A499 PolarHBondContact O-N 3.21Å; Y496-A499 VanDerWaalsContact O-N 3.17Å; Y496-C500 VanDerWaalsContact CE1-SG 3.59Å; Y496-C500 PolarHBondContact O-N 3.34Å; Y496-C500 PolarHBondContact O-SG 3.34Å
497S97.4Very high94.5Very high2 Ų221.5 Ų21.51%0.01413%0.129CC..Hα-helixtrans-56.2-45.4172.8-178.40000111.6V482 G483 D487 D493 A494 A499 C500 A501V482-S497 WeakPolarHBondContact CA-OG 3.3Å; G483-S497 PolarHBondContact N-OG 3.25Å; D487-S497 WeakPolarHBondContact OD2-CB 3.29Å; D487-S497 PolarHBondContact OD2-OG 3.06Å; D493-S497 WeakPolarHBondContact O-CB 3.34Å; D493-S497 PolarHBondContact O-N 3.1Å; A494-S497 WeakPolarHBondContact O-CB 3.37Å; A494-S497 PolarHBondContact O-N 3.38Å; S497-A499 PolarHBondContact O-N 2.83Å; S497-C500 PolarHBondContact O-N 3.38Å; S497-A501 WeakPolarHBondContact O-CB 3.16Å; S497-A501 PolarHBondContact O-N 3.17Å
498A98.4Very high93.1Very high0 Ų022.3 Ų22.30%014%0.139CC..Hα-helixtrans-60-44.7175.700000111.9V17 T18 L21 V482 A494 V495 Y496 A501 V502V17-A498 HydrophobicContact CB-CB 4.38Å; V17-A498 HydrophobicContact CG1-CB 3.89Å; T18-A498 WeakPolarHBondContact OG1-CB 3.49Å; L21-A498 HydrophobicContact CD1-CB 4.25Å; V482-A498 VanDerWaalsContact CG1-CA 3.43Å; V482-A498 HydrophobicContact CG1-CB 3.81Å; A494-A498 PolarHBondContact O-N 3.45Å; A494-A498 VanDerWaalsContact O-N 3.08Å; V495-A498 PolarHBondContact O-N 3.32Å; Y496-A498 VanDerWaalsContact C-N 3.31Å; Y496-A498 PolarHBondContact O-N 2.82Å; A498-A501 PolarHBondContact O-N 3.19Å; A498-V502 WeakPolarHBondContact O-CB 3.18Å; A498-V502 VanDerWaalsContact O-CG2 3.31Å; A498-V502 WeakPolarHBondContact O-CG2 3.2Å; A498-V502 PolarHBondContact O-N 2.95Å
499A97.5Very high91.1Very high0 Ų022.9 Ų22.90%014%0.141CC..Hα-helixtrans-63.7-42.1177.800000113.2L21 L74 I220 V495 Y496 S497 A503L21-A499 HydrophobicContact CD1-CB 3.93Å; L74-A499 HydrophobicContact CD2-CB 3.55Å; I220-A499 HydrophobicContact CD1-CB 3.6Å; I220-A499 WeakPolarHBondContact CD1-O 3.44Å; V495-A499 PolarHBondContact O-N 3.15Å; V495-A499 VanDerWaalsContact O-N 3.09Å; Y496-A499 PolarHBondContact O-N 3.21Å; Y496-A499 VanDerWaalsContact O-N 3.17Å; S497-A499 PolarHBondContact O-N 2.83Å; A499-A503 VanDerWaalsContact O-CB 3.3Å; A499-A503 WeakPolarHBondContact O-CB 2.99Å; A499-A503 PolarHBondContact O-N 3.3Å
500C95.9Very high88.8Confident44 Ų4428.6 Ų28.630%0.29718%0.183SC..Hα-helixtrans-61.5-46.4175.4-72.90000111.9Y496 S497 A503 E504Y496-C500 VanDerWaalsContact CE1-SG 3.59Å; Y496-C500 PolarHBondContact O-N 3.34Å; Y496-C500 PolarHBondContact O-SG 3.34Å; S497-C500 PolarHBondContact O-N 3.38Å; C500-A503 PolarHBondContact O-N 2.55Å; C500-E504 WeakPolarHBondContact O-CB 3.4Å; C500-E504 PolarHBondContact O-N 3.12Å
501A96.5Very high88.5Confident3 Ų328.9 Ų28.93%0.02518%0.18CC..Hα-helixtrans-65.4-43.2-178.800000112.4F303 V482 S497 A498 E504 E505F303-A501 HydrophobicContact CD1-CB 4.18Å; F303-A501 HydrophobicContact CE1-CB 3.96Å; V482-A501 HydrophobicContact CG2-CB 3.52Å; S497-A501 WeakPolarHBondContact O-CB 3.16Å; S497-A501 PolarHBondContact O-N 3.17Å; A498-A501 PolarHBondContact O-N 3.19Å; A501-E504 PolarHBondContact O-N 2.89Å; A501-E505 PolarHBondContact O-N 2.99Å
502V96.4Very high88Confident0 Ų029.2 Ų29.20%018%0.183CC..Hα-helixtrans-61.8-47.6174.5172.60000109.8T18 L21 I22 I220 F303 A498 E504 E505 F506T18-V502 HydrophobicContact CG2-CG2 3.92Å; L21-V502 HydrophobicContact CB-CG1 4.46Å; L21-V502 HydrophobicContact CB-CG2 4.2Å; I22-V502 HydrophobicContact CD1-CG2 4.44Å; I22-V502 HydrophobicContact CG1-CG1 4.23Å; I22-V502 HydrophobicContact CG1-CG2 3.87Å; I220-V502 HydrophobicContact CD1-CB 4.34Å; I220-V502 HydrophobicContact CD1-CG1 4.38Å; F303-V502 HydrophobicContact CE1-CG2 4.41Å; A498-V502 WeakPolarHBondContact O-CB 3.18Å; A498-V502 VanDerWaalsContact O-CG2 3.31Å; A498-V502 WeakPolarHBondContact O-CG2 3.2Å; A498-V502 PolarHBondContact O-N 2.95Å; V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 2.91Å; V502-E505 WeakPolarHBondContact O-CB 3.43Å; V502-E505 PolarHBondContact O-N 3.14Å; V502-F506 HydrophobicContact CG1-CD2 3.96Å; V502-F506 HydrophobicContact CG1-CE2 3.81Å; V502-F506 VanDerWaalsContact O-CD2 3.27Å; V502-F506 WeakPolarHBondContact O-CD2 3.49Å; V502-F506 PolarHBondContact O-N 3.15Å; V502-F506 VanDerWaalsContact O-N 3.12Å
503A94.7Very high87.6Confident14 Ų1430.6 Ų30.612%0.11619%0.192CC..Hα-helixtrans-62.6-37.8178.400000113.4P217 M219 A499 C500 F506 S507P217-A503 HydrophobicContact CB-CB 3.32Å; P217-A503 HydrophobicContact CG-CB 3.42Å; P217-A503 VanDerWaalsContact CG-CB 3.42Å; M219-A503 HydrophobicContact SD-CB 4.31Å; A499-A503 VanDerWaalsContact O-CB 3.3Å; A499-A503 WeakPolarHBondContact O-CB 2.99Å; A499-A503 PolarHBondContact O-N 3.3Å; C500-A503 PolarHBondContact O-N 2.55Å; A503-F506 PolarHBondContact O-N 2.9Å; A503-S507 WeakPolarHBondContact O-CB 3.33Å; A503-S507 PolarHBondContact O-N 2.87Å; A503-S507 PolarHBondContact O-OG 2.74Å
504E92.4Very high87.1Confident52 Ų5230.7 Ų30.724%0.24320%0.195CC..Hα-helixtrans-61.6-46.4175.7-168.9178.3178.100110.9R466 Y480 C500 A501 V502 F506 S507 S508R466-E504 IonicContact CZ-OE1 3.48Å; R466-E504 IonicContact NE-OE1 2.98Å; R466-E504 PolarHBondContact NE-OE1 2.89Å; R466-E504 IonicContact NH2-OE1 2.84Å; R466-E504 PolarHBondContact NH2-OE1 2.92Å; R466-E504 IonicContact NH2-OE2 3.84Å; Y480-E504 HydrophobicContact CD1-CB 4.37Å; Y480-E504 HydrophobicContact CD1-CG 4.46Å; Y480-E504 HydrophobicContact CE1-CB 4.03Å; Y480-E504 HydrophobicContact CE1-CG 3.89Å; C500-E504 WeakPolarHBondContact O-CB 3.4Å; C500-E504 PolarHBondContact O-N 3.12Å; A501-E504 PolarHBondContact O-N 2.89Å; V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 2.91Å; E504-F506 VanDerWaalsContact C-N 3.31Å; E504-F506 PolarHBondContact O-N 3.02Å; E504-S507 WeakPolarHBondContact CA-OG 3.28Å; E504-S507 PolarHBondContact O-N 3.1Å; E504-S507 PolarHBondContact O-OG 3.1Å; E504-S508 PolarHBondContact O-N 2.82Å
505E90.8Very high86.5Confident4 Ų432.5 Ų32.52%0.01921%0.206CC..Hα-helixtrans-54.2-47.2174.6-173.2-82.9160.400112.1Y6 R26 I301 F303 Y480 A501 V502 S508 S509Y6-E505 HydrophobicContact CE1-CG 4.1Å; Y6-E505 WeakPolarHBondContact CE1-OE1 3.41Å; Y6-E505 PolarHBondContact OH-OE1 2.65Å; Y6-E505 PolarHBondContact OH-OE2 3.44Å; R26-E505 IonicContact CZ-OE2 2.98Å; R26-E505 VanDerWaalsContact NH2-CD 3.31Å; R26-E505 IonicContact NH2-OE1 3.61Å; R26-E505 PolarHBondContact NH2-OE1 3.23Å; R26-E505 IonicContact NH2-OE2 3.44Å; R26-E505 PolarHBondContact NH2-OE2 3.24Å; I301-E505 HydrophobicContact CG1-CG 4.46Å; I301-E505 HydrophobicContact CG2-CG 4.1Å; F303-E505 HydrophobicContact CZ-CB 3.93Å; F303-E505 HydrophobicContact CZ-CG 4.07Å; Y480-E505 HydrophobicContact CD2-CB 4.37Å; Y480-E505 HydrophobicContact CE1-CB 4.16Å; Y480-E505 HydrophobicContact CE2-CB 3.74Å; Y480-E505 HydrophobicContact CE2-CG 3.76Å; Y480-E505 WeakPolarHBondContact OH-CA 3.48Å; A501-E505 PolarHBondContact O-N 2.99Å; V502-E505 WeakPolarHBondContact O-CB 3.43Å; V502-E505 PolarHBondContact O-N 3.14Å; E505-S508 PolarHBondContact O-N 3.44Å; E505-S508 PolarHBondContact O-OG 2.84Å; E505-S509 PolarHBondContact O-N 2.69Å
506F84.3Confident85.8Confident19 Ų1934.7 Ų34.78%0.08322%0.219CC..Hα-helixtrans-72.3-35.5179.7-84.7-99.1000113.7T25 R26 M219 V502 A503 E504 S508 S509 S510T25-F506 VanDerWaalsContact CB-CZ 3.47Å; T25-F506 VanDerWaalsContact OG1-CE2 3.27Å; T25-F506 WeakPolarHBondContact OG1-CE2 3.28Å; T25-F506 WeakPolarHBondContact OG1-CZ 3.5Å; R26-F506 HydrophobicContact CB-CZ 4.49Å; R26-F506 VanDerWaalsContact CD-CE1 3.48Å; R26-F506 HydrophobicContact CG-CE1 4.2Å; R26-F506 HydrophobicContact CG-CE2 4.33Å; R26-F506 HydrophobicContact CG-CZ 3.53Å; M219-F506 HydrophobicContact CE-CB 3.39Å; M219-F506 HydrophobicContact CE-CD1 3.33Å; M219-F506 HydrophobicContact CE-CD2 4.12Å; M219-F506 HydrophobicContact CE-CE1 3.93Å; M219-F506 HydrophobicContact CE-CG 3.37Å; M219-F506 HydrophobicContact SD-CB 3.48Å; M219-F506 WeakPolarHBondContact SD-CB 3.38Å; M219-F506 HydrophobicContact SD-CD1 4.43Å; M219-F506 HydrophobicContact SD-CD2 4.29Å; M219-F506 HydrophobicContact SD-CG 3.87Å; V502-F506 HydrophobicContact CG1-CD2 3.96Å; V502-F506 HydrophobicContact CG1-CE2 3.81Å; V502-F506 VanDerWaalsContact O-CD2 3.27Å; V502-F506 WeakPolarHBondContact O-CD2 3.49Å; V502-F506 PolarHBondContact O-N 3.15Å; V502-F506 VanDerWaalsContact O-N 3.12Å; A503-F506 PolarHBondContact O-N 2.9Å; E504-F506 VanDerWaalsContact C-N 3.31Å; E504-F506 PolarHBondContact O-N 3.02Å; F506-S508 PolarHBondContact O-N 2.92Å; F506-S509 WeakPolarHBondContact O-CA 3.32Å; F506-S509 VanDerWaalsContact O-CB 3.25Å; F506-S509 WeakPolarHBondContact O-CB 3.18Å; F506-S509 PolarHBondContact O-N 3.15Å; F506-S509 PolarHBondContact O-OG 2.82Å; F506-S510 PolarHBondContact O-N 2.87Å
507S81.1Confident85Confident71 Ų7133 Ų3350%0.49722%0.219SC..Hα-helixtrans-65.7-30.2176.669.50000112.5A503 E504 S509 S510A503-S507 WeakPolarHBondContact O-CB 3.33Å; A503-S507 PolarHBondContact O-N 2.87Å; A503-S507 PolarHBondContact O-OG 2.74Å; E504-S507 WeakPolarHBondContact CA-OG 3.28Å; E504-S507 PolarHBondContact O-N 3.1Å; E504-S507 PolarHBondContact O-OG 3.1Å; S507-S509 PolarHBondContact O-N 2.97Å; S507-S510 PolarHBondContact O-OG 2.81Å; S507-S510 VanDerWaalsContact O-OG 3.12Å
508S65.6Low84Confident79 Ų7935.4 Ų35.455%0.55224%0.235SC*.THydrogen-bonded Turntrans-73.3-9.6170.573.30000113.4Y480 E504 E505 F506Y480-S508 PolarHBondContact OH-OG 3.07Å; E504-S508 PolarHBondContact O-N 2.82Å; E505-S508 PolarHBondContact O-N 3.44Å; E505-S508 PolarHBondContact O-OG 2.84Å; F506-S508 PolarHBondContact O-N 2.92Å
509S53.6Low82.8Confident25 Ų2538.3 Ų38.318%0.17525%0.254CS..THydrogen-bonded Turntrans-96-24.518086.50000113.7R476 E505 F506 S507R476-S509 PolarHBondContact NH2-O 3.39Å; E505-S509 PolarHBondContact O-N 2.69Å; F506-S509 WeakPolarHBondContact O-CA 3.32Å; F506-S509 VanDerWaalsContact O-CB 3.25Å; F506-S509 WeakPolarHBondContact O-CB 3.18Å; F506-S509 PolarHBondContact O-N 3.15Å; F506-S509 PolarHBondContact O-OG 2.82Å; S507-S509 PolarHBondContact O-N 2.97Å
510S45.5Very low81.5Confident149 Ų14941.8 Ų41.8100%1.04228%0.277SS*.  trans-86.10172.257.80000111.1F506 S507F506-S510 PolarHBondContact O-N 2.87Å; S507-S510 PolarHBondContact O-OG 2.81Å; S507-S510 VanDerWaalsContact O-OG 3.12Å

Retrieved 510 of 510 residues in 236.2 ms (Link to these results)

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