A0A5K4EGG5_SCHMA Loading...

Transcription initiation factor IIB AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EGG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.3Very low83.3Confident246 Ų246130.1 Ų130.1100%1.21262%0.62SS**  0115.50-72.6170.7-178.700106.6H3M1-H3 PolarHBondContact O-N 3.21Å
2S63.5Low84.1Confident116 Ų116121.1 Ų121.181%0.81158%0.584SS**PPolyproline II helixtrans-62.7125.4175.741.80000109.1L4S2-L4 PolarHBondContact O-N 3.33Å
3H78.4Confident84.9Confident157 Ų157120.1 Ų120.173%0.72759%0.589SS**PPolyproline II helixtrans-63.9127.7174.4-169-85.1000108.6M1 E5M1-H3 PolarHBondContact O-N 3.21Å; H3-E5 PolarHBondContact O-N 3.05Å
4L86.4Confident85.5Confident88 Ų88114.4 Ų114.446%0.46156%0.562SS.*PPolyproline II helixtrans-74.3119.9175.3-78.8165.8000108.6S2 L14 A33S2-L4 PolarHBondContact O-N 3.33Å; L4-L14 HydrophobicContact CB-CD1 3.96Å; L4-A33 HydrophobicContact CD1-CB 4.15Å; L4-A33 HydrophobicContact CD2-CB 3.78Å
5E92.1Very high86.1Confident110 Ų110113.4 Ų113.451%0.51456%0.559SS.*  trans-147.2153.2179.964.4-178.6-175.500111.5H3H3-E5 PolarHBondContact O-N 3.05Å
6C92.3Very high86.5Confident1 Ų1113.8 Ų113.81%0.00756%0.559CS.*BIsolated β-bridgetrans-80125.9173.2-178.50000110.1Y8 H9 C25 C28 V32C6-Y8 PolarHBondContact O-N 3.47Å; C6-Y8 VanDerWaalsContact O-N 3.08Å; C6-H9 HydrophobicContact CB-CB 4.24Å; C6-H9 CarbonylContact O-C 3.26Å; C6-H9 VanDerWaalsContact O-C 3.26Å; C6-H9 PolarHBondContact O-N 3.35Å; C6-H9 VanDerWaalsContact O-N 3.08Å; C6-C25 HydrophobicContact CB-CB 3.82Å; C6-C25 VanDerWaalsContact CB-SG 3.59Å; C6-C28 VanDerWaalsContact SG-SG 3.65Å; C6-V32 HydrophobicContact CB-CG1 3.99Å
7K91.5Very high86.8Confident182 Ų182111.2 Ų111.279%0.79155%0.548SS*.THydrogen-bonded Turntrans-53.9-30.9178.2-67.3-178179.7178.80114.4
8Y93.2Very high87Confident173 Ų173110.9 Ų110.968%0.67856%0.559SS**THydrogen-bonded Turntrans-97.6-20.7-178.6-56.5-71.8000113.2C6 L30C6-Y8 PolarHBondContact O-N 3.47Å; C6-Y8 VanDerWaalsContact O-N 3.08Å; Y8-L30 HydrophobicContact CD2-CD2 4.08Å; Y8-L30 HydrophobicContact CE2-CD2 4.17Å
9H92.9Very high87.1Confident63 Ų63114.5 Ų114.529%0.29257%0.573SS.*BIsolated β-bridgetrans-138.576.1-175.6-48.396.8000110C6 Y11 A12 M27 C28C6-H9 HydrophobicContact CB-CB 4.24Å; C6-H9 CarbonylContact O-C 3.26Å; C6-H9 VanDerWaalsContact O-C 3.26Å; C6-H9 PolarHBondContact O-N 3.35Å; C6-H9 VanDerWaalsContact O-N 3.08Å; H9-Y11 PolarHBondContact O-N 2.97Å; H9-Y11 VanDerWaalsContact O-N 3.07Å; H9-A12 HydrophobicContact CB-CB 3.59Å; H9-A12 WeakPolarHBondContact O-CB 3.43Å; H9-A12 PolarHBondContact O-N 3.37Å; H9-M27 HydrophobicContact CB-CB 4.39Å; H9-C28 VanDerWaalsContact CE1-CB 3.46Å; H9-C28 WeakPolarHBondContact CE1-CB 3.34Å; H9-C28 VanDerWaalsContact CE1-SG 3.57Å; H9-C28 PolarHBondContact ND1-SG 2.83Å; H9-C28 VanDerWaalsContact ND1-SG 3.36Å
10P89.8Confident87.4Confident68 Ų68111.3 Ų111.344%0.44257%0.565SS.*THydrogen-bonded Turntrans-59.2-24.4-174.4-26.535.6000114.5
11Y91.2Very high87.6Confident227 Ų227106.8 Ų106.889%0.8955%0.547SS*.THydrogen-bonded Turntrans-103.36.5-179.5-54.2-73.2000113.8H9H9-Y11 PolarHBondContact O-N 2.97Å; H9-Y11 VanDerWaalsContact O-N 3.07Å
12A92.3Very high89.9Confident22 Ų2296.8 Ų96.818%0.18250%0.498CS..PPolyproline II helixtrans-71.5142.6177.700000110.9H9 L14 C25 M27H9-A12 HydrophobicContact CB-CB 3.59Å; H9-A12 WeakPolarHBondContact O-CB 3.43Å; H9-A12 PolarHBondContact O-N 3.37Å; A12-L14 PolarHBondContact O-N 3.14Å; A12-C25 VanDerWaalsContact CB-SG 3.58Å; A12-M27 HydrophobicContact CB-CB 4.45Å; A12-M27 HydrophobicContact CB-CG 3.87Å
13V94.3Very high91.4Very high108 Ų10892.8 Ų92.866%0.65547%0.467SS*.PPolyproline II helixtrans-68.4132.3170.1-179.60000108.2S26V13-S26 VanDerWaalsContact O-CB 3.23Å; V13-S26 WeakPolarHBondContact O-CB 3.48Å; V13-S26 PolarHBondContact O-N 3.19Å; V13-S26 VanDerWaalsContact O-N 3.15Å; V13-S26 PolarHBondContact O-OG 2.85Å
14L94.1Very high92.2Very high40 Ų4086.9 Ų86.921%0.20944%0.442CS..EExtended strand (participates in β ladder)trans-88131.1172.7-58.6178.8000109L4 A12 M23 V24 C25 V32L4-L14 HydrophobicContact CB-CD1 3.96Å; A12-L14 PolarHBondContact O-N 3.14Å; L14-M23 HydrophobicContact CB-CE 3.75Å; L14-V24 WeakPolarHBondContact CA-O 3.4Å; L14-C25 HydrophobicContact CD2-CB 4.39Å; L14-V32 HydrophobicContact CD1-CG2 3.58Å; L14-V32 HydrophobicContact CD2-CB 4.49Å; L14-V32 HydrophobicContact CD2-CG1 4.13Å; L14-V32 HydrophobicContact CD2-CG2 3.56Å; L14-V32 HydrophobicContact CG-CG2 4.14Å
15I93.9Very high92.6Very high100 Ų10082.8 Ų82.851%0.51342%0.421SS..EExtended strand (participates in β ladder)trans-100.9125.2176.9-58.4173.4000107.2V24I15-V24 PolarHBondContact N-O 3.04Å; I15-V24 PolarHBondContact O-N 3.36Å
16E92.6Very high92.7Very high119 Ų11980.3 Ų80.356%0.55642%0.415SS*.EExtended strand (participates in β ladder)trans-80.3116172.2-173.8178.7174.200109.5S18 M23E16-S18 PolarHBondContact O-N 2.97Å; E16-M23 HydrophobicContact CB-CE 4.09Å; E16-M23 HydrophobicContact CB-SD 3.62Å; E16-M23 HydrophobicContact CG-SD 3.78Å
17D92.6Very high92.9Very high71 Ų7186.5 Ų86.538%0.3845%0.446SS..EExtended strand (participates in β ladder)trans-88.892.8166.4-174.2-16.6000108.7H19 A20 G21 D22 V24D17-H19 PolarHBondContact O-N 3.41Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 WeakPolarHBondContact OD1-CB 3.48Å; D17-H19 PolarHBondContact OD1-N 3.36Å; D17-A20 HydrophobicContact CB-CB 4.18Å; D17-A20 PolarHBondContact O-N 2.79Å; D17-A20 PolarHBondContact OD1-N 3.35Å; D17-G21 WeakPolarHBondContact O-CA 3.15Å; D17-G21 PolarHBondContact O-N 3.45Å; D17-D22 PolarHBondContact N-O 3.34Å; D17-D22 PolarHBondContact O-N 3.3Å; D17-D22 VanDerWaalsContact O-N 3.14Å; D17-V24 HydrophobicContact CB-CG2 4.44Å
18S89.3Confident93.1Very high105 Ų10580.8 Ų80.873%0.73443%0.428SS*.THydrogen-bonded Turntrans-60-21.3178.862.30000114.5E16E16-S18 PolarHBondContact O-N 2.97Å
19H90.2Very high93.1Very high179 Ų17974.8 Ų74.883%0.82942%0.418SS*.THydrogen-bonded Turntrans-82.2-43179.8-17462.9000111.5D17D17-H19 PolarHBondContact O-N 3.41Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 WeakPolarHBondContact OD1-CB 3.48Å; D17-H19 PolarHBondContact OD1-N 3.36Å
20A92Very high93.1Very high51 Ų5174.8 Ų74.842%0.42142%0.421SS..THydrogen-bonded Turntrans-76.1-26.4173.400000112.4D17 D22D17-A20 HydrophobicContact CB-CB 4.18Å; D17-A20 PolarHBondContact O-N 2.79Å; D17-A20 PolarHBondContact OD1-N 3.35Å; A20-D22 HydrophobicContact CB-CB 4.13Å
21G91.7Very high93.3Very high17 Ų1774.7 Ų74.718%0.17542%0.418CS..THydrogen-bonded Turntrans75.531.2-169.400000112D17 R35 V36D17-G21 WeakPolarHBondContact O-CA 3.15Å; D17-G21 PolarHBondContact O-N 3.45Å; G21-R35 CarbonylContact O-C 3.57Å; G21-R35 VanDerWaalsContact O-CA 3.23Å; G21-R35 WeakPolarHBondContact O-CA 3.12Å; G21-R35 PolarHBondContact O-N 2.94Å; G21-V36 WeakPolarHBondContact O-CG2 3.42Å; G21-V36 PolarHBondContact O-N 2.86Å
22D94.5Very high93.4Very high35 Ų3565.4 Ų65.419%0.18739%0.385CS..EExtended strand (participates in β ladder)trans-120.3147.6-170.1-70.8-11.7000111.6D17 A20 V24 V31 A33 D34 R35D17-D22 PolarHBondContact N-O 3.34Å; D17-D22 PolarHBondContact O-N 3.3Å; D17-D22 VanDerWaalsContact O-N 3.14Å; A20-D22 HydrophobicContact CB-CB 4.13Å; D22-V24 HydrophobicContact CB-CG2 4.29Å; D22-V31 HydrophobicContact CB-CG1 3.95Å; D22-A33 CarbonylContact C-O 3.44Å; D22-A33 WeakPolarHBondContact CA-O 3.35Å; D22-D34 VanDerWaalsContact OD1-CA 3.28Å; D22-D34 WeakPolarHBondContact OD1-CA 3.39Å; D22-R35 PolarHBondContact OD1-N 3.33Å
23M93.9Very high93.4Very high32 Ų3265.2 Ų65.216%0.15838%0.384CS..EExtended strand (participates in β ladder)trans-95.8119.6165.7-61.9-57.5-64.800109.2L14 E16 V31 V32 A33 V36L14-M23 HydrophobicContact CB-CE 3.75Å; E16-M23 HydrophobicContact CB-CE 4.09Å; E16-M23 HydrophobicContact CB-SD 3.62Å; E16-M23 HydrophobicContact CG-SD 3.78Å; M23-V31 CarbonylContact O-C 3.59Å; M23-V31 WeakPolarHBondContact O-CA 3.48Å; M23-V32 HydrophobicContact CB-CG2 3.72Å; M23-V32 WeakPolarHBondContact O-CG2 3.32Å; M23-V32 PolarHBondContact O-N 3.2Å; M23-A33 HydrophobicContact CB-CB 3.92Å; M23-A33 HydrophobicContact CG-CB 3.91Å; M23-A33 PolarHBondContact N-O 3.48Å; M23-V36 HydrophobicContact CG-CG2 3.62Å; M23-V36 HydrophobicContact SD-CG2 4.14Å
24V94.6Very high93.3Very high34 Ų3464.5 Ų64.521%0.20638%0.376CS..EExtended strand (participates in β ladder)trans-114.2134.5-173.4-172.90000110.4L14 I15 D17 D22 S26 V31L14-V24 WeakPolarHBondContact CA-O 3.4Å; I15-V24 PolarHBondContact N-O 3.04Å; I15-V24 PolarHBondContact O-N 3.36Å; D17-V24 HydrophobicContact CB-CG2 4.44Å; D22-V24 HydrophobicContact CB-CG2 4.29Å; V24-S26 PolarHBondContact O-N 2.78Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å
25C95.3Very high93Very high2 Ų271.9 Ų71.91%0.01440%0.401CS..EExtended strand (participates in β ladder)trans-68.2125.9172.91780000111.2C6 A12 L14 M27 G29 L30C6-C25 HydrophobicContact CB-CB 3.82Å; C6-C25 VanDerWaalsContact CB-SG 3.59Å; A12-C25 VanDerWaalsContact CB-SG 3.58Å; L14-C25 HydrophobicContact CD2-CB 4.39Å; C25-M27 PolarHBondContact O-N 3.25Å; C25-M27 VanDerWaalsContact O-N 3.16Å; C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.05Å; C25-L30 HydrophobicContact CB-CB 4.39Å; C25-L30 WeakPolarHBondContact CB-O 3.23Å; C25-L30 PolarHBondContact N-O 3.41Å
26S95.7Very high92.8Very high57 Ų5769.7 Ų69.740%0.39939%0.392SS..THydrogen-bonded Turntrans-62-23.9-179.569.10000114.6V13 V24V13-S26 VanDerWaalsContact O-CB 3.23Å; V13-S26 WeakPolarHBondContact O-CB 3.48Å; V13-S26 PolarHBondContact O-N 3.19Å; V13-S26 VanDerWaalsContact O-N 3.15Å; V13-S26 PolarHBondContact O-OG 2.85Å; V24-S26 PolarHBondContact O-N 2.78Å
27M95Very high92.6Very high132 Ų13271 Ų7165%0.6540%0.401SS*.THydrogen-bonded Turntrans-91.4-36.5-172.9-67.8-60.3-62.700113.8H9 A12 C25H9-M27 HydrophobicContact CB-CB 4.39Å; A12-M27 HydrophobicContact CB-CB 4.45Å; A12-M27 HydrophobicContact CB-CG 3.87Å; C25-M27 PolarHBondContact O-N 3.25Å; C25-M27 VanDerWaalsContact O-N 3.16Å
28C95.3Very high92.4Very high61 Ų6173.9 Ų73.941%0.41242%0.417SS..THydrogen-bonded Turntrans-127.2-3.1-174.862.80000115.2C6 H9 L30C6-C28 VanDerWaalsContact SG-SG 3.65Å; H9-C28 VanDerWaalsContact CE1-CB 3.46Å; H9-C28 WeakPolarHBondContact CE1-CB 3.34Å; H9-C28 VanDerWaalsContact CE1-SG 3.57Å; H9-C28 PolarHBondContact ND1-SG 2.83Å; H9-C28 VanDerWaalsContact ND1-SG 3.36Å; C28-L30 PolarHBondContact O-N 3.02Å; C28-L30 VanDerWaalsContact SG-CB 3.56Å
29G93.2Very high92.3Very high47 Ų4775.8 Ų75.849%0.48542%0.424SS..  trans72.39.8-177.900000114.4C25 V31C25-G29 WeakPolarHBondContact O-CA 3.4Å; C25-G29 PolarHBondContact O-N 3.05Å; G29-V31 PolarHBondContact O-N 2.98Å
30L93.9Very high92.1Very high64 Ų6469.4 Ų69.434%0.33541%0.407SS..  trans-67.4126.1175.9-178.369000110.1Y8 C25 C28 V32Y8-L30 HydrophobicContact CD2-CD2 4.08Å; Y8-L30 HydrophobicContact CE2-CD2 4.17Å; C25-L30 HydrophobicContact CB-CB 4.39Å; C25-L30 WeakPolarHBondContact CB-O 3.23Å; C25-L30 PolarHBondContact N-O 3.41Å; C28-L30 PolarHBondContact O-N 3.02Å; C28-L30 VanDerWaalsContact SG-CB 3.56Å; L30-V32 PolarHBondContact O-N 3.14Å
31V94.9Very high91.7Very high65 Ų6571.1 Ų71.139%0.39442%0.415SS..EExtended strand (participates in β ladder)trans-71.1116.3169-179.20000108.8D22 M23 V24 G29 A33 D34D22-V31 HydrophobicContact CB-CG1 3.95Å; M23-V31 CarbonylContact O-C 3.59Å; M23-V31 WeakPolarHBondContact O-CA 3.48Å; V24-V31 HydrophobicContact CG2-CG2 4.39Å; G29-V31 PolarHBondContact O-N 2.98Å; V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.43Å; V31-D34 HydrophobicContact CG1-CB 4.45Å
32V93.3Very high91.2Very high33 Ų3376.1 Ų76.120%0.243%0.434CS..EExtended strand (participates in β ladder)trans-98.7-22.2-179.7-59.70000112.9C6 L14 M23 L30C6-V32 HydrophobicContact CB-CG1 3.99Å; L14-V32 HydrophobicContact CD1-CG2 3.58Å; L14-V32 HydrophobicContact CD2-CB 4.49Å; L14-V32 HydrophobicContact CD2-CG1 4.13Å; L14-V32 HydrophobicContact CD2-CG2 3.56Å; L14-V32 HydrophobicContact CG-CG2 4.14Å; M23-V32 HydrophobicContact CB-CG2 3.72Å; M23-V32 WeakPolarHBondContact O-CG2 3.32Å; M23-V32 PolarHBondContact O-N 3.2Å; L30-V32 PolarHBondContact O-N 3.14Å
33A92.1Very high90.5Very high18 Ų1876.7 Ų76.715%0.14943%0.434CS..EExtended strand (participates in β ladder)trans-140131.9167.600000108.5L4 D22 M23 V31 V36L4-A33 HydrophobicContact CD1-CB 4.15Å; L4-A33 HydrophobicContact CD2-CB 3.78Å; D22-A33 CarbonylContact C-O 3.44Å; D22-A33 WeakPolarHBondContact CA-O 3.35Å; M23-A33 HydrophobicContact CB-CB 3.92Å; M23-A33 HydrophobicContact CG-CB 3.91Å; M23-A33 PolarHBondContact N-O 3.48Å; V31-A33 VanDerWaalsContact CG1-O 3.26Å; V31-A33 WeakPolarHBondContact CG1-O 3.43Å; A33-V36 HydrophobicContact CB-CG2 4.25Å
34D90.7Very high89.6Confident92 Ų9284.9 Ų84.949%0.49246%0.463SS..SBendtrans-100.3148.7170.567.6-52.3000110.4D22 V31 V36D22-D34 VanDerWaalsContact OD1-CA 3.28Å; D22-D34 WeakPolarHBondContact OD1-CA 3.39Å; V31-D34 HydrophobicContact CG1-CB 4.45Å; D34-V36 PolarHBondContact O-N 2.86Å
35R88.6Confident88.6Confident195 Ų19588.1 Ų88.174%0.73648%0.483SS*.SBendtrans53.650.3173.1-61174.1-73.3-178.2-3.1113.7G21 D22 I37G21-R35 CarbonylContact O-C 3.57Å; G21-R35 VanDerWaalsContact O-CA 3.23Å; G21-R35 WeakPolarHBondContact O-CA 3.12Å; G21-R35 PolarHBondContact O-N 2.94Å; D22-R35 PolarHBondContact OD1-N 3.33Å; R35-I37 PolarHBondContact O-N 3.43Å
36V90.1Very high87.7Confident54 Ų5495 Ų9533%0.32751%0.513SS..PPolyproline II helixtrans-53.2132.1170.1-175.40000109.4G21 M23 A33 D34 D38G21-V36 WeakPolarHBondContact O-CG2 3.42Å; G21-V36 PolarHBondContact O-N 2.86Å; M23-V36 HydrophobicContact CG-CG2 3.62Å; M23-V36 HydrophobicContact SD-CG2 4.14Å; A33-V36 HydrophobicContact CB-CG2 4.25Å; D34-V36 PolarHBondContact O-N 2.86Å; V36-D38 PolarHBondContact O-N 2.93Å
37I88.3Confident86.8Confident146 Ų14698.2 Ų98.275%0.74954%0.535SS*.PPolyproline II helixtrans-75.4116.1179.3-59.2173.3000108.4R35 V39R35-I37 PolarHBondContact O-N 3.43Å; I37-V39 PolarHBondContact O-N 3.11Å
38D87.5Confident86.2Confident132 Ų13299.5 Ų99.571%0.70655%0.545SS*.PPolyproline II helixtrans-66.5120.6167.2-175.5-0.7000109.4V36 G40V36-D38 PolarHBondContact O-N 2.93Å; D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 WeakPolarHBondContact OD1-CA 3.42Å; D38-G40 PolarHBondContact OD1-N 3.41Å
39V87.8Confident85.5Confident145 Ų145101 Ų10188%0.87955%0.549SS*.  trans-87.22.6178.8-64.40000112.9I37I37-V39 PolarHBondContact O-N 3.11Å
40G85.3Confident84.4Confident45 Ų45103.6 Ų103.646%0.46457%0.566SS.*SBendtrans-69.3-176.6172.600000113.6D38 E42D38-G40 VanDerWaalsContact C-N 3.28Å; D38-G40 WeakPolarHBondContact OD1-CA 3.42Å; D38-G40 PolarHBondContact OD1-N 3.41Å; G40-E42 PolarHBondContact O-N 3.24Å
41S83.4Confident83.3Confident87 Ų87107.9 Ų107.961%0.60859%0.589SS**  trans-69.2121.9176.755.60000110.9W43S41-W43 PolarHBondContact O-N 3.12Å; S41-W43 PolarHBondContact OG-O 2.88Å
42E82Confident82Confident122 Ų122107 Ų10757%0.5759%0.589SS**SBendtrans-69.4-18.9176.966.8-179.2-140.900113.5G40 R57G40-E42 PolarHBondContact O-N 3.24Å; E42-R57 VanDerWaalsContact CD-CZ 3.46Å; E42-R57 VanDerWaalsContact CD-NH2 3.32Å; E42-R57 IonicContact OE1-CZ 3.14Å; E42-R57 IonicContact OE1-NE 2.77Å; E42-R57 IonicContact OE1-NH1 2.69Å; E42-R57 PolarHBondContact OE1-NH1 2.69Å; E42-R57 IonicContact OE1-NH2 3.93Å; E42-R57 PolarHBondContact OE1-NH2 3.26Å; E42-R57 IonicContact OE2-CZ 2.67Å; E42-R57 VanDerWaalsContact OE2-CZ 3.26Å; E42-R57 IonicContact OE2-NH1 3.04Å; E42-R57 PolarHBondContact OE2-NH1 3.23Å; E42-R57 IonicContact OE2-NH2 3.03Å; E42-R57 PolarHBondContact OE2-NH2 3.27Å
43W78.8Confident81.2Confident47 Ų47114.3 Ų114.318%0.17862%0.618CS.*SBendtrans-101.8151.6173.921.172.7000111.8S41 R57 V58S41-W43 PolarHBondContact O-N 3.12Å; S41-W43 PolarHBondContact OG-O 2.88Å; W43-R57 HydrophobicContact CH2-CB 3.5Å; W43-R57 HydrophobicContact CH2-CG 3.13Å; W43-R57 VanDerWaalsContact CH2-NE 3.34Å; W43-R57 HydrophobicContact CZ2-CB 3.8Å; W43-R57 HydrophobicContact CZ2-CG 3.45Å; W43-R57 VanDerWaalsContact CZ2-CG 3.45Å; W43-R57 HydrophobicContact CZ3-CB 3.97Å; W43-R57 HydrophobicContact CZ3-CG 4.02Å; W43-V58 HydrophobicContact CZ2-CG1 4.45Å
44R77.1Confident80.5Confident204 Ų204118.4 Ų118.477%0.7764%0.637SS**  trans-118.5128.5170.9-70.6-179.6155.5149-2109.4F46R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.08Å
45T73.2Confident80Confident102 Ų102121 Ų12163%0.62665%0.648SS**  trans-87.2115164.148.20000108.4
46F75.3Confident79.7Confident146 Ų146114 Ų11464%0.6463%0.628SS**  trans-86.7126.3176.4-64.7-78.1000110R44 N48 D49R44-F46 HydrophobicContact CB-CE2 4.19Å; R44-F46 HydrophobicContact CB-CZ 4.08Å; F46-N48 PolarHBondContact O-N 3.38Å; F46-D49 PolarHBondContact O-N 3.1Å
47S77.9Confident79.5Confident125 Ų125120 Ų12087%0.87465%0.645SS**THydrogen-bonded Turntrans-60.3-20.7-178.8-39.40000114
48N81.7Confident79.3Confident160 Ų160117.7 Ų117.786%0.85664%0.638SS**THydrogen-bonded Turntrans-92-6.6-175.1-64.9-1.2000113.6F46 A50F46-N48 PolarHBondContact O-N 3.38Å; N48-A50 PolarHBondContact O-N 3.17Å
49D80.1Confident79.2Confident92 Ų92114.7 Ų114.749%0.49264%0.638SS.*  trans-93.992.5178.2-170.1-7.3000109.4F46 N51 A52F46-D49 PolarHBondContact O-N 3.1Å; D49-N51 PolarHBondContact O-N 3.38Å; D49-N51 VanDerWaalsContact O-N 3.08Å; D49-N51 PolarHBondContact OD1-N 3.34Å; D49-A52 HydrophobicContact CB-CB 3.6Å; D49-A52 WeakPolarHBondContact O-CB 3.15Å; D49-A52 PolarHBondContact O-N 3.11Å; D49-A52 PolarHBondContact OD1-N 3.17Å
50A71.6Confident79Confident101 Ų101112.5 Ų112.584%0.83564%0.635SS**THydrogen-bonded Turntrans-61.3-17.2-17700000113.7N48N48-A50 PolarHBondContact O-N 3.17Å
51N69.8Low79Confident154 Ų154116.8 Ų116.882%0.82465%0.652SS**THydrogen-bonded Turntrans-116.312.8177.9-80.9-20.3000112.7D49 K53D49-N51 PolarHBondContact O-N 3.38Å; D49-N51 VanDerWaalsContact O-N 3.08Å; D49-N51 PolarHBondContact OD1-N 3.34Å; N51-K53 PolarHBondContact O-N 3.26Å
52A67.9Low79.1Confident47 Ų47117.2 Ų117.239%0.38865%0.645SS.*  trans-64.1101.4175.400000109.7D49 D54D49-A52 HydrophobicContact CB-CB 3.6Å; D49-A52 WeakPolarHBondContact O-CB 3.15Å; D49-A52 PolarHBondContact O-N 3.11Å; D49-A52 PolarHBondContact OD1-N 3.17Å; A52-D54 PolarHBondContact O-N 2.76Å
53K75.7Confident79.3Confident186 Ų186115 Ų11581%0.80964%0.637SS**  trans-57.3128.6161.1-175.4179.5180-176.80107.3N51 M55N51-K53 PolarHBondContact O-N 3.26Å; K53-M55 PolarHBondContact O-N 2.8Å
54D77.8Confident79.8Confident105 Ų105121.5 Ų121.556%0.56167%0.667SS**  trans-56.3115.4172.8-175.47000109.2A52 C56A52-D54 PolarHBondContact O-N 2.76Å; D54-C56 VanDerWaalsContact C-N 3.26Å; D54-C56 WeakPolarHBondContact OD1-CB 3.41Å; D54-C56 PolarHBondContact OD1-N 3.36Å
55M80.2Confident80.5Confident147 Ų147113.2 Ų113.272%0.72464%0.638SS**  trans-88.43.9179.4-73.7-174.446.100112.3K53 R57K53-M55 PolarHBondContact O-N 2.8Å; M55-R57 PolarHBondContact O-N 3.14Å
56C82Confident81.3Confident47 Ų47110.1 Ų110.132%0.31862%0.617SS.*  trans-57.2120.4179.3-170.60000111.4D54 V58D54-C56 VanDerWaalsContact C-N 3.26Å; D54-C56 WeakPolarHBondContact OD1-CB 3.41Å; D54-C56 PolarHBondContact OD1-N 3.36Å; C56-V58 WeakPolarHBondContact SG-CG2 3.42Å; C56-V58 PolarHBondContact SG-O 3.12Å
57R85.5Confident81.7Confident181 Ų181108 Ų10868%0.68361%0.612SS**  trans-88.9-7.5175.199.6-174.9161.5-148.4-10.5113.4E42 W43 M55E42-R57 VanDerWaalsContact CD-CZ 3.46Å; E42-R57 VanDerWaalsContact CD-NH2 3.32Å; E42-R57 IonicContact OE1-CZ 3.14Å; E42-R57 IonicContact OE1-NE 2.77Å; E42-R57 IonicContact OE1-NH1 2.69Å; E42-R57 PolarHBondContact OE1-NH1 2.69Å; E42-R57 IonicContact OE1-NH2 3.93Å; E42-R57 PolarHBondContact OE1-NH2 3.26Å; E42-R57 IonicContact OE2-CZ 2.67Å; E42-R57 VanDerWaalsContact OE2-CZ 3.26Å; E42-R57 IonicContact OE2-NH1 3.04Å; E42-R57 PolarHBondContact OE2-NH1 3.23Å; E42-R57 IonicContact OE2-NH2 3.03Å; E42-R57 PolarHBondContact OE2-NH2 3.27Å; W43-R57 HydrophobicContact CH2-CB 3.5Å; W43-R57 HydrophobicContact CH2-CG 3.13Å; W43-R57 VanDerWaalsContact CH2-NE 3.34Å; W43-R57 HydrophobicContact CZ2-CB 3.8Å; W43-R57 HydrophobicContact CZ2-CG 3.45Å; W43-R57 VanDerWaalsContact CZ2-CG 3.45Å; W43-R57 HydrophobicContact CZ3-CB 3.97Å; W43-R57 HydrophobicContact CZ3-CG 4.02Å; M55-R57 PolarHBondContact O-N 3.14Å
58V85.4Confident81.1Confident97 Ų97104.1 Ų104.159%0.58859%0.592SS**SBendtrans-97.2156.8-179.5-58.80000111W43 C56W43-V58 HydrophobicContact CZ2-CG1 4.45Å; C56-V58 WeakPolarHBondContact SG-CG2 3.42Å; C56-V58 PolarHBondContact SG-O 3.12Å
59G84Confident80.3Confident69 Ų6999.8 Ų99.871%0.71159%0.585SS**PPolyproline II helixtrans-68.3172.3174.300000112.7
60A84.5Confident79.6Confident99 Ų9998.4 Ų98.482%0.81858%0.578SS**PPolyproline II helixtrans-63161.4169.100000111.2E62A60-E62 PolarHBondContact O-N 3.02Å
61T85.1Confident79.9Confident135 Ų135100.7 Ų100.783%0.82858%0.575SS**PPolyproline II helixtrans-60.9138.1174.551.90000110.8
62E85.8Confident80.5Confident96 Ų9696.6 Ų96.645%0.44956%0.559SS.*PPolyproline II helixtrans-67.3145.3175.2-67.7-174.6-179.800110.8A60 F64 L71A60-E62 PolarHBondContact O-N 3.02Å; E62-F64 PolarHBondContact O-N 3.27Å; E62-L71 HydrophobicContact CG-CD2 4.49Å; E62-L71 WeakPolarHBondContact OE1-CD2 3.34Å
63N86.7Confident81.3Confident75 Ų75100.3 Ų100.340%0.40158%0.577SS.*  trans-80.4104.8170.4-174.8-9000109.2L65 L66N63-L65 PolarHBondContact O-N 3.15Å; N63-L65 WeakPolarHBondContact OD1-CB 3.49Å; N63-L65 PolarHBondContact OD1-N 2.66Å; N63-L66 HydrophobicContact CB-CD1 4.18Å; N63-L66 HydrophobicContact CB-CG 4.18Å; N63-L66 PolarHBondContact O-N 3.08Å
64F89.3Confident81.8Confident184 Ų18499 Ų9981%0.80758%0.575SS**THydrogen-bonded Turntrans-56.4-16.3177.8-54.8-73.1000114.3E62 L66 K136E62-F64 PolarHBondContact O-N 3.27Å; F64-L66 VanDerWaalsContact C-N 3.31Å; F64-K136 PolarHBondContact O-NZ 3.2Å
65L91.4Very high82.2Confident30 Ų3098.3 Ų98.316%0.15757%0.571CS.*THydrogen-bonded Turntrans-80.1-10.4174.7-61.9179.6000113.7N63 F111 N132 L133 K136N63-L65 PolarHBondContact O-N 3.15Å; N63-L65 WeakPolarHBondContact OD1-CB 3.49Å; N63-L65 PolarHBondContact OD1-N 2.66Å; L65-F111 HydrophobicContact CB-CE2 3.78Å; L65-F111 HydrophobicContact CB-CZ 3.81Å; L65-F111 HydrophobicContact CD1-CE2 4.28Å; L65-F111 HydrophobicContact CD1-CZ 4.1Å; L65-N132 HydrophobicContact CD1-CB 3.58Å; L65-L133 HydrophobicContact CD2-CB 4.37Å; L65-L133 HydrophobicContact CD2-CD1 3.82Å; L65-K136 HydrophobicContact CB-CD 4.13Å; L65-K136 HydrophobicContact CD2-CB 4.48Å; L65-K136 HydrophobicContact CD2-CD 3.83Å; L65-K136 WeakPolarHBondContact O-CD 3.47Å; L65-K136 VanDerWaalsContact O-CE 3.31Å; L65-K136 WeakPolarHBondContact O-CE 3.29Å; L65-K136 PolarHBondContact O-NZ 3.02Å
66L90.4Very high82.4Confident37 Ų3796 Ų9619%0.19457%0.569CS.*SBendtrans-95.3166.1171.4-56.8-179.7000109.9N63 F64 G68 D104 L107 L108 F111 K136N63-L66 HydrophobicContact CB-CD1 4.18Å; N63-L66 HydrophobicContact CB-CG 4.18Å; N63-L66 PolarHBondContact O-N 3.08Å; F64-L66 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.41Å; L66-D104 HydrophobicContact CD2-CB 4.25Å; L66-L107 HydrophobicContact CD2-CB 3.86Å; L66-L107 HydrophobicContact CD2-CD1 4.03Å; L66-L108 HydrophobicContact CD1-CD2 4.04Å; L66-L108 HydrophobicContact CD1-CG 4.31Å; L66-L108 HydrophobicContact CD2-CD2 4.28Å; L66-L108 HydrophobicContact CD2-CG 4.17Å; L66-F111 HydrophobicContact CD2-CE2 4.05Å; L66-K136 PolarHBondContact O-NZ 2.64Å
67D82.3Confident82.4Confident100 Ų10096.5 Ų96.554%0.53558%0.582SS.*  trans-77.815.6-178.1-68.7-20.9000113.1G69 D104D67-G69 PolarHBondContact O-N 3.4Å; D67-D104 PolarHBondContact N-OD1 3.15Å
68G65.2Low82.2Confident44 Ų4490.5 Ų90.545%0.45457%0.566SS.*SBendtrans69.722.4166.500000115.8L66L66-G68 PolarHBondContact O-N 3.41Å
69G65.1Low82Confident69 Ų6988.2 Ų88.271%0.71156%0.555SS**  trans-100.6-10.3-167.300000117.6D67D67-G69 PolarHBondContact O-N 3.4Å
70D66.1Low81.7Confident63 Ų6391.7 Ų91.734%0.33757%0.565SS.*  trans-123.877.2-165.2-160.53.6000112.7S72D70-S72 PolarHBondContact O-N 3.28Å; D70-S72 WeakPolarHBondContact OD1-CB 3.12Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-S72 PolarHBondContact OD2-OG 2.98Å
71L78.1Confident81.5Confident149 Ų14992 Ų9278%0.7856%0.561SS**  trans-7342.2167.1-68.8173.5000111.7E62E62-L71 HydrophobicContact CG-CD2 4.49Å; E62-L71 WeakPolarHBondContact OE1-CD2 3.34Å
72S81.7Confident81.3Confident69 Ų6987.8 Ų87.848%0.48353%0.534SS..  trans-84.1156.8-178.755.70000113D70D70-S72 PolarHBondContact O-N 3.28Å; D70-S72 WeakPolarHBondContact OD1-CB 3.12Å; D70-S72 PolarHBondContact OD1-N 2.91Å; D70-S72 PolarHBondContact OD1-OG 3.45Å; D70-S72 PolarHBondContact OD2-OG 2.98Å
73T85.1Confident80.9Confident124 Ų12487.8 Ų87.876%0.76154%0.544SS*.  trans-109.8155.6169.857.80000109.7
74M86.2Confident80.7Confident158 Ų15894.6 Ų94.678%0.77856%0.564SS**PPolyproline II helixtrans-99.5129.6173.8-64.7-167.4-72.700109.9S76 N96M74-S76 PolarHBondContact O-N 2.98Å; M74-N96 WeakPolarHBondContact CB-ND2 3.36Å; M74-N96 WeakPolarHBondContact CG-ND2 3.39Å
75I86.6Confident80.4Confident91 Ų9188.7 Ų88.747%0.46754%0.539SS..PPolyproline II helixtrans-69.1128.5172.1-54.8174.5000108.3
76S84.4Confident80Confident100 Ų10090.1 Ų90.170%0.69955%0.547SS*.PPolyproline II helixtrans-63.1152175.464.70000111.4M74M74-S76 PolarHBondContact O-N 2.98Å
77G82.3Confident79.8Confident57 Ų5790.5 Ų90.559%0.58855%0.549SS*.PPolyproline II helixtrans-62.7163.1170.900000112.1
78P81Confident79.9Confident54 Ų5494.9 Ų94.935%0.35157%0.566SS.*PPolyproline II helixtrans-63.9142.8-179.327.6-34.6000111.4Q85 L86 P92P78-Q85 HydrophobicContact CB-CB 3.76Å; P78-L86 HydrophobicContact CB-CD2 4.05Å; P78-L86 HydrophobicContact CG-CD2 3.86Å; P78-P92 HydrophobicContact CG-CB 4.12Å
79S81.6Confident80.9Confident50 Ų5099.9 Ų99.935%0.3558%0.577SS.*PPolyproline II helixtrans-66.7134174.4-178.40000109.8S81 D82S79-S81 PolarHBondContact O-N 2.83Å; S79-S81 PolarHBondContact OG-N 3.39Å; S79-S81 PolarHBondContact OG-OG 2.84Å; S79-D82 PolarHBondContact O-N 3.48Å
80P76Confident81.8Confident141 Ų14198.9 Ų98.992%0.91657%0.567SS**THydrogen-bonded Turntrans-56.4-23.7176.2-24.233000113.8
81S81.7Confident82.7Confident105 Ų105101.1 Ų101.173%0.73457%0.574SS**THydrogen-bonded Turntrans-89.7-13.1-178.8580000114.8S79S79-S81 PolarHBondContact O-N 2.83Å; S79-S81 PolarHBondContact OG-N 3.39Å; S79-S81 PolarHBondContact OG-OG 2.84Å
82D80.9Confident83.1Confident48 Ų4896.4 Ų96.426%0.25755%0.552SS.*  trans-116.686.7-172.2-169.813.2000111.7S79 R84 Q85S79-D82 PolarHBondContact O-N 3.48Å; D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.43Å; D82-R84 WeakPolarHBondContact OD1-CD 3.31Å; D82-R84 VanDerWaalsContact OD1-CG 3.31Å; D82-R84 WeakPolarHBondContact OD1-CG 3.4Å; D82-R84 PolarHBondContact OD1-N 3.42Å; D82-Q85 HydrophobicContact CB-CG 4.42Å; D82-Q85 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact OD2-NE2 3.39Å
83S76.5Confident83.2Confident95 Ų9598.7 Ų98.766%0.66456%0.556SS**G310 helixtrans-60.4-14.5177.3-48.20000113.5Q85 L86S83-Q85 PolarHBondContact O-N 2.9Å; S83-L86 PolarHBondContact O-N 3.5Å
84R82.3Confident83.2Confident219 Ų219100.8 Ų100.883%0.82655%0.551SS**G310 helixtrans-67.7-14.8178.1-59.3173.8179151.7-0.5113.2D82 L86D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD1-CB 3.25Å; D82-R84 WeakPolarHBondContact OD1-CB 3.43Å; D82-R84 WeakPolarHBondContact OD1-CD 3.31Å; D82-R84 VanDerWaalsContact OD1-CG 3.31Å; D82-R84 WeakPolarHBondContact OD1-CG 3.4Å; D82-R84 PolarHBondContact OD1-N 3.42Å; R84-L86 VanDerWaalsContact C-N 3.31Å
85Q83.3Confident83Confident59 Ų59100.3 Ų100.328%0.27654%0.541SS..G310 helixtrans-89.5-2-179.6-59.2-178.8-7.600112.6P78 D82 S83 M93P78-Q85 HydrophobicContact CB-CB 3.76Å; D82-Q85 HydrophobicContact CB-CG 4.42Å; D82-Q85 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact OD2-NE2 3.39Å; S83-Q85 PolarHBondContact O-N 2.9Å; Q85-M93 PolarHBondContact O-N 3.25Å
86L83.4Confident82.8Confident61 Ų6199.3 Ų99.332%0.31954%0.537SS..BIsolated β-bridgetrans-105.6145.1-179.7-55.7178.7000110.6P78 S83 R84 K91P78-L86 HydrophobicContact CB-CD2 4.05Å; P78-L86 HydrophobicContact CG-CD2 3.86Å; S83-L86 PolarHBondContact O-N 3.5Å; R84-L86 VanDerWaalsContact C-N 3.31Å; L86-K91 CarbonylContact C-O 3.56Å; L86-K91 VanDerWaalsContact CA-O 3.31Å; L86-K91 WeakPolarHBondContact CA-O 3.44Å
87D85Confident82.6Confident45 Ų45104.3 Ų104.324%0.24154%0.54CS..  trans-72.2173.1166.869.516.5000111.1H89 G90 K91 M93D87-H89 PolarHBondContact O-N 3.42Å; D87-H89 VanDerWaalsContact OD1-C 3.26Å; D87-H89 WeakPolarHBondContact OD1-CA 3.14Å; D87-H89 WeakPolarHBondContact OD1-CB 3.01Å; D87-H89 PolarHBondContact OD1-N 3Å; D87-G90 PolarHBondContact O-N 3.07Å; D87-G90 PolarHBondContact OD1-N 3.38Å; D87-G90 VanDerWaalsContact OD1-N 3.08Å; D87-K91 PolarHBondContact N-O 2.91Å; D87-K91 WeakPolarHBondContact OD1-CB 3.46Å; D87-K91 PolarHBondContact OD1-N 3.42Å; D87-K91 WeakPolarHBondContact OD2-CB 3.48Å; D87-M93 HydrophobicContact CB-CE 4.16Å; D87-M93 HydrophobicContact CB-CG 4.21Å
88E86.3Confident82.2Confident192 Ų192111.9 Ų111.990%0.89755%0.551SS**THydrogen-bonded Turntrans-55.2-21.9178.2-170.4177.8175.600113.1
89H86.2Confident82.1Confident149 Ų149114.6 Ų114.669%0.6956%0.563SS**THydrogen-bonded Turntrans-98.810.2179.5-57.480.4000112.9D87 K91D87-H89 PolarHBondContact O-N 3.42Å; D87-H89 VanDerWaalsContact OD1-C 3.26Å; D87-H89 WeakPolarHBondContact OD1-CA 3.14Å; D87-H89 WeakPolarHBondContact OD1-CB 3.01Å; D87-H89 PolarHBondContact OD1-N 3Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.84Å
90G83.3Confident82.1Confident48 Ų48115 Ų11550%0.49556%0.56SS.*SBendtrans74.814.1179.300000115D87D87-G90 PolarHBondContact O-N 3.07Å; D87-G90 PolarHBondContact OD1-N 3.38Å; D87-G90 VanDerWaalsContact OD1-N 3.08Å
91K84.8Confident82.6Confident110 Ų110111.1 Ų111.148%0.47854%0.536SS..  trans-92.5148.5176.9-55.9173.8-178.9168.60110.1L86 D87 H89 M93L86-K91 CarbonylContact C-O 3.56Å; L86-K91 VanDerWaalsContact CA-O 3.31Å; L86-K91 WeakPolarHBondContact CA-O 3.44Å; D87-K91 PolarHBondContact N-O 2.91Å; D87-K91 WeakPolarHBondContact OD1-CB 3.46Å; D87-K91 PolarHBondContact OD1-N 3.42Å; D87-K91 WeakPolarHBondContact OD2-CB 3.48Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.84Å; K91-M93 PolarHBondContact O-N 3.31Å
92P86Confident82.8Confident50 Ų50109.5 Ų109.533%0.32553%0.529SS..BIsolated β-bridgetrans-60.7126.4177.224.5-33.9000111P78 R95P78-P92 HydrophobicContact CG-CB 4.12Å; P92-R95 HydrophobicContact CG-CG 4.5Å; P92-R95 PolarHBondContact O-NE 2.89Å
93M84.7Confident83.1Confident116 Ų116109.4 Ų109.457%0.57153%0.532SS*.SBendtrans-64.8-44.9175.7-75.8-142.7174.700111.1Q85 D87 K91Q85-M93 PolarHBondContact O-N 3.25Å; D87-M93 HydrophobicContact CB-CE 4.16Å; D87-M93 HydrophobicContact CB-CG 4.21Å; K91-M93 PolarHBondContact O-N 3.31Å
94Y85.1Confident83.8Confident168 Ų168105.3 Ų105.366%0.65950%0.502SS*.SBendtrans-91.4121.2175.3-54.7-74000109.9
95R81.8Confident84.2Confident149 Ų149101.6 Ų101.656%0.56249%0.488SS*.  trans-116.9134179.2-61.2-173.7-174.3177.75.7109.6P92 R97P92-R95 HydrophobicContact CG-CG 4.5Å; P92-R95 PolarHBondContact O-NE 2.89Å; R95-R97 PolarHBondContact O-N 3.07Å
96N82.9Confident84.6Confident70 Ų70100.8 Ų100.837%0.37449%0.487SS..  trans-64.8121.2175.1-165.916.9000109.8M74M74-N96 WeakPolarHBondContact CB-ND2 3.36Å; M74-N96 WeakPolarHBondContact CG-ND2 3.39Å
97R78.4Confident85.1Confident205 Ų20598 Ų9877%0.77447%0.472SS*.  trans-88.8121.3174.8-71.5-173.5178.6-1791108.3R95 N99R95-R97 PolarHBondContact O-N 3.07Å; R97-N99 VanDerWaalsContact C-N 3.32Å; R97-N99 PolarHBondContact O-N 2.8Å
98R75.1Confident85.6Confident216 Ų21698.4 Ų98.482%0.81547%0.474SS*.  trans-74.886.2174.9-66.2-175.8-179.4-178.30.2109.4I100R98-I100 PolarHBondContact O-N 2.73Å
99N78.1Confident86Confident111 Ų11192 Ų9259%0.59445%0.451SS*.  trans-83.620.7-178.9-71.7-10.9000114.2R97 S101R97-N99 VanDerWaalsContact C-N 3.32Å; R97-N99 PolarHBondContact O-N 2.8Å; N99-S101 PolarHBondContact O-N 2.96Å
100I82.8Confident86.4Confident58 Ų5885 Ų8530%0.29742%0.419SS..  trans-68.8126.9178-57.5166.9000109.7R98 D104 R105 L108R98-I100 PolarHBondContact O-N 2.73Å; I100-D104 HydrophobicContact CG2-CB 3.8Å; I100-R105 HydrophobicContact CG2-CB 4.17Å; I100-R105 PolarHBondContact O-NH2 3Å; I100-L108 HydrophobicContact CD1-CD1 4.02Å; I100-L108 HydrophobicContact CG2-CD1 3.98Å
101S85.6Confident87.1Confident59 Ų5983.3 Ų83.341%0.41340%0.398SS..  trans-51.2144.7174.6-168.90000111.5N99 P103 D104 R105N99-S101 PolarHBondContact O-N 2.96Å; S101-P103 VanDerWaalsContact OG-CD 3.27Å; S101-P103 WeakPolarHBondContact OG-CD 3.31Å; S101-P103 WeakPolarHBondContact OG-CG 3.21Å; S101-D104 PolarHBondContact O-N 3.33Å; S101-R105 WeakPolarHBondContact O-CB 3.19Å; S101-R105 PolarHBondContact O-N 3.4Å
102A86.3Confident87.6Confident71 Ų7185.5 Ų85.559%0.58740%0.403SS*.Hα-helixtrans-54.8-46.8179.800000114.1R105 V106A102-R105 PolarHBondContact O-N 3.1Å; A102-V106 PolarHBondContact O-N 3.4Å
103P88Confident88.2Confident47 Ų4784.2 Ų84.231%0.30539%0.393SS..Hα-helixtrans-59.5-48.2173.121.7-35.4000113S101 R105 V106 L107S101-P103 VanDerWaalsContact OG-CD 3.27Å; S101-P103 WeakPolarHBondContact OG-CD 3.31Å; S101-P103 WeakPolarHBondContact OG-CG 3.21Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.42Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.41Å; P103-L107 PolarHBondContact O-N 2.92Å; P103-L107 VanDerWaalsContact O-N 3.08Å
104D90.3Very high88.8Confident8 Ų878.7 Ų78.74%0.04337%0.366CS..Hα-helixtrans-62.6-34.1-179.6-68-33.5000112.1L66 D67 I100 S101 V106 L107 L108L66-D104 HydrophobicContact CD2-CB 4.25Å; D67-D104 PolarHBondContact N-OD1 3.15Å; I100-D104 HydrophobicContact CG2-CB 3.8Å; S101-D104 PolarHBondContact O-N 3.33Å; D104-V106 VanDerWaalsContact C-N 3.27Å; D104-V106 PolarHBondContact O-N 2.89Å; D104-L107 PolarHBondContact O-N 3.22Å; D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 VanDerWaalsContact O-CG 3.28Å; D104-L108 WeakPolarHBondContact O-CG 3.08Å; D104-L108 PolarHBondContact O-N 3.04Å
105R90.4Very high89.4Confident142 Ų14272.1 Ų72.154%0.53634%0.344SS..Hα-helixtrans-61.3-37.8175-170.8-178-58.3-170.71.8112I100 S101 A102 P103 S109I100-R105 HydrophobicContact CG2-CB 4.17Å; I100-R105 PolarHBondContact O-NH2 3Å; S101-R105 WeakPolarHBondContact O-CB 3.19Å; S101-R105 PolarHBondContact O-N 3.4Å; A102-R105 PolarHBondContact O-N 3.1Å; P103-R105 VanDerWaalsContact C-N 3.25Å; P103-R105 PolarHBondContact O-N 3.42Å; R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.93Å; R105-S109 VanDerWaalsContact O-N 3.07Å
106V92.9Very high90.1Very high41 Ų4170.3 Ų70.325%0.24834%0.342CS..Hα-helixtrans-68.1-47.6176174.40000110A102 P103 D104 L108 S109 A110 N149A102-V106 PolarHBondContact O-N 3.4Å; P103-V106 WeakPolarHBondContact O-CB 3.4Å; P103-V106 PolarHBondContact O-N 3.41Å; D104-V106 VanDerWaalsContact C-N 3.27Å; D104-V106 PolarHBondContact O-N 2.89Å; V106-L108 PolarHBondContact O-N 3.36Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 2.59Å; V106-A110 PolarHBondContact O-N 3.44Å; V106-N149 WeakPolarHBondContact CG1-ND2 3.42Å
107L94.1Very high90.8Very high3 Ų367.2 Ų67.22%0.01633%0.325CS..Hα-helixtrans-57.4-50.1176.8-66.3174.3000111.3L66 P103 D104 S109 A110 F111 F135 H139L66-L107 HydrophobicContact CD2-CB 3.86Å; L66-L107 HydrophobicContact CD2-CD1 4.03Å; P103-L107 PolarHBondContact O-N 2.92Å; P103-L107 VanDerWaalsContact O-N 3.08Å; D104-L107 PolarHBondContact O-N 3.22Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.06Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.06Å; L107-A110 VanDerWaalsContact O-N 3.12Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 3.97Å; L107-F111 HydrophobicContact CD2-CE1 4.48Å; L107-F111 HydrophobicContact CD2-CZ 4.14Å; L107-F111 WeakPolarHBondContact O-CD1 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 WeakPolarHBondContact O-CG 3.42Å; L107-F111 PolarHBondContact O-N 3.08Å; L107-F135 HydrophobicContact CD2-CD1 3.91Å; L107-F135 HydrophobicContact CD2-CE1 3.95Å; L107-H139 HydrophobicContact CD2-CB 4.22Å
108L93.8Very high91.8Very high53 Ų5357.5 Ų57.528%0.27729%0.289SS..Hα-helixtrans-62.5-32.1177.7-73174.6000113.3L66 I100 D104 V106 R112L66-L108 HydrophobicContact CD1-CD2 4.04Å; L66-L108 HydrophobicContact CD1-CG 4.31Å; L66-L108 HydrophobicContact CD2-CD2 4.28Å; L66-L108 HydrophobicContact CD2-CG 4.17Å; I100-L108 HydrophobicContact CD1-CD1 4.02Å; I100-L108 HydrophobicContact CG2-CD1 3.98Å; D104-L108 WeakPolarHBondContact O-CB 3.38Å; D104-L108 VanDerWaalsContact O-CG 3.28Å; D104-L108 WeakPolarHBondContact O-CG 3.08Å; D104-L108 PolarHBondContact O-N 3.04Å; V106-L108 PolarHBondContact O-N 3.36Å; L108-R112 VanDerWaalsContact O-CG 3.29Å; L108-R112 WeakPolarHBondContact O-CG 3.37Å; L108-R112 PolarHBondContact O-N 3.37Å; L108-R112 PolarHBondContact O-NE 3.17Å; L108-R112 VanDerWaalsContact O-NE 3.14Å
109S94.6Very high92.8Very high58 Ų5853.6 Ų53.641%0.40628%0.28SS..Hα-helixtrans-68.9-45173.3-1640000111.2R105 V106 L107 R112 E113R105-S109 WeakPolarHBondContact O-CB 3.47Å; R105-S109 PolarHBondContact O-N 2.93Å; R105-S109 VanDerWaalsContact O-N 3.07Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 2.59Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.06Å; S109-R112 PolarHBondContact O-N 3.13Å; S109-E113 PolarHBondContact O-N 2.9Å; S109-E113 VanDerWaalsContact O-N 3.15Å
110A96.2Very high93.7Very high2 Ų254.6 Ų54.62%0.01728%0.281CS..Hα-helixtrans-64.4-44.3178.500000112.2V106 L107 R112 E113 I114 F135 S153V106-A110 PolarHBondContact O-N 3.44Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 3.06Å; L107-A110 VanDerWaalsContact O-N 3.12Å; A110-R112 VanDerWaalsContact C-N 3.29Å; A110-R112 PolarHBondContact O-N 3.33Å; A110-E113 PolarHBondContact O-N 3.05Å; A110-E113 VanDerWaalsContact O-N 3.12Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.39Å; A110-F135 HydrophobicContact CB-CD1 3.71Å; A110-F135 HydrophobicContact CB-CD2 4.02Å; A110-F135 HydrophobicContact CB-CE1 3.29Å; A110-F135 HydrophobicContact CB-CE2 3.61Å; A110-F135 HydrophobicContact CB-CG 4.07Å; A110-F135 HydrophobicContact CB-CZ 3.24Å; A110-S153 WeakPolarHBondContact CB-OG 3.38Å
111F96.8Very high94.3Very high13 Ų1353.1 Ų53.16%0.05727%0.273CS..Hα-helixtrans-63.9-35179.3-60.1-18.6000112.5L65 L66 L107 S115 N132 F135L65-F111 HydrophobicContact CB-CE2 3.78Å; L65-F111 HydrophobicContact CB-CZ 3.81Å; L65-F111 HydrophobicContact CD1-CE2 4.28Å; L65-F111 HydrophobicContact CD1-CZ 4.1Å; L66-F111 HydrophobicContact CD2-CE2 4.05Å; L107-F111 HydrophobicContact CB-CE2 3.94Å; L107-F111 HydrophobicContact CB-CZ 3.97Å; L107-F111 HydrophobicContact CD2-CE1 4.48Å; L107-F111 HydrophobicContact CD2-CZ 4.14Å; L107-F111 WeakPolarHBondContact O-CD1 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.27Å; L107-F111 WeakPolarHBondContact O-CG 3.42Å; L107-F111 PolarHBondContact O-N 3.08Å; F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 3.11Å; F111-S115 PolarHBondContact O-OG 2.84Å; F111-N132 WeakPolarHBondContact CA-OD1 3.32Å; F111-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 VanDerWaalsContact CD1-CG 3.45Å; F111-N132 WeakPolarHBondContact CD1-OD1 3.01Å; F111-N132 HydrophobicContact CE1-CB 3.65Å; F111-N132 WeakPolarHBondContact CE1-O 3.5Å; F111-N132 HydrophobicContact CG-CB 4.21Å; F111-N132 HydrophobicContact CZ-CB 4.32Å; F111-F135 HydrophobicContact CE1-CB 4.41Å; F111-F135 HydrophobicContact CE1-CD1 4.17Å
112R96.7Very high94.8Very high155 Ų15557.1 Ų57.159%0.58529%0.29SS*.Hα-helixtrans-65.2-43.6172.1-76.5-176.7-65.3146.91.6111.7L108 S109 A110 S115 Q116L108-R112 VanDerWaalsContact O-CG 3.29Å; L108-R112 WeakPolarHBondContact O-CG 3.37Å; L108-R112 PolarHBondContact O-N 3.37Å; L108-R112 PolarHBondContact O-NE 3.17Å; L108-R112 VanDerWaalsContact O-NE 3.14Å; S109-R112 PolarHBondContact O-N 3.13Å; A110-R112 VanDerWaalsContact C-N 3.29Å; A110-R112 PolarHBondContact O-N 3.33Å; R112-S115 PolarHBondContact O-N 3.35Å; R112-Q116 WeakPolarHBondContact O-CG 3.33Å; R112-Q116 PolarHBondContact O-N 3.37Å
113E96.8Very high95.3Very high24 Ų2454.5 Ų54.511%0.11227%0.266CS..Hα-helixtrans-65.9-42.9177.5-171.2179.5-170.600112.2S109 A110 S115 Q116 M117 D150S109-E113 PolarHBondContact O-N 2.9Å; S109-E113 VanDerWaalsContact O-N 3.15Å; A110-E113 PolarHBondContact O-N 3.05Å; A110-E113 VanDerWaalsContact O-N 3.12Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.47Å; E113-Q116 PolarHBondContact O-N 3.13Å; E113-M117 HydrophobicContact CG-CE 4.17Å; E113-M117 WeakPolarHBondContact O-CG 3.37Å; E113-M117 PolarHBondContact O-N 3.49Å; E113-D150 WeakPolarHBondContact OE1-CA 3.16Å; E113-D150 WeakPolarHBondContact OE1-CB 3.16Å; E113-D150 WeakPolarHBondContact OE2-CA 3.45Å
114I98.2Very high95.7Very high0 Ų055.8 Ų55.80%028%0.275CS..Hα-helixtrans-59.4-46.8174.3-70.7170.2000110.5A110 M117 G118 A131 N132 F135 L157A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.39Å; I114-M117 HydrophobicContact CG1-CE 4.39Å; I114-M117 PolarHBondContact O-N 2.94Å; I114-G118 PolarHBondContact O-N 2.96Å; I114-A131 HydrophobicContact CD1-CB 4.37Å; I114-A131 HydrophobicContact CG2-CB 3.64Å; I114-N132 WeakPolarHBondContact CD1-OD1 3.28Å; I114-F135 HydrophobicContact CD1-CB 4.02Å; I114-F135 HydrophobicContact CD1-CD2 4.45Å; I114-F135 HydrophobicContact CD1-CG 4.39Å; I114-L157 HydrophobicContact CG2-CD1 4.39Å
115S97.6Very high96Very high29 Ų2961.1 Ų61.120%0.20330%0.297CS..Hα-helixtrans-62.4-44.7179-57.10000111.3F111 R112 E113 G118 E119F111-S115 WeakPolarHBondContact O-CB 3.49Å; F111-S115 PolarHBondContact O-N 3.11Å; F111-S115 PolarHBondContact O-OG 2.84Å; R112-S115 PolarHBondContact O-N 3.35Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.47Å; S115-G118 PolarHBondContact O-N 3.39Å; S115-E119 WeakPolarHBondContact O-CG 3.3Å; S115-E119 PolarHBondContact O-N 2.9Å
116Q97.4Very high96.3Very high112 Ų11257.7 Ų57.752%0.52330%0.295SS..Hα-helixtrans-60.2-49.5175.3-74.9176.29.200111.8R112 E113 G118 E119 H120R112-Q116 WeakPolarHBondContact O-CG 3.33Å; R112-Q116 PolarHBondContact O-N 3.37Å; E113-Q116 PolarHBondContact O-N 3.13Å; Q116-G118 VanDerWaalsContact C-N 3.25Å; Q116-G118 PolarHBondContact O-N 2.86Å; Q116-E119 PolarHBondContact O-N 2.93Å; Q116-H120 PolarHBondContact O-N 3.42Å; Q116-H120 PolarHBondContact O-ND1 3.43Å
117M97.6Very high96.6Very high5 Ų556 Ų563%0.02529%0.285CS..Hα-helixtrans-60.8-37.3177.1-72.1-172.7-65.800111.9E113 I114 H120 L121 T154 L157 V176E113-M117 HydrophobicContact CG-CE 4.17Å; E113-M117 WeakPolarHBondContact O-CG 3.37Å; E113-M117 PolarHBondContact O-N 3.49Å; I114-M117 HydrophobicContact CG1-CE 4.39Å; I114-M117 PolarHBondContact O-N 2.94Å; M117-H120 PolarHBondContact O-N 3.48Å; M117-L121 WeakPolarHBondContact O-CG 3.4Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 VanDerWaalsContact O-N 3.16Å; M117-T154 HydrophobicContact SD-CG2 4.31Å; M117-L157 HydrophobicContact CB-CD2 3.44Å; M117-L157 VanDerWaalsContact CB-CD2 3.44Å; M117-L157 HydrophobicContact CE-CB 4.5Å; M117-L157 HydrophobicContact CE-CD2 4.07Å; M117-L157 HydrophobicContact CG-CD2 4.48Å; M117-L157 HydrophobicContact SD-CD2 4.35Å; M117-V176 HydrophobicContact CB-CG2 4.04Å; M117-V176 HydrophobicContact CG-CG2 4.09Å
118G97.7Very high96.7Very high1 Ų156.1 Ų56.11%0.0129%0.286CS..Hα-helixtrans-61.8-46.3175.700000112.8I114 S115 Q116 L121 N122 L123I114-G118 PolarHBondContact O-N 2.96Å; S115-G118 PolarHBondContact O-N 3.39Å; Q116-G118 VanDerWaalsContact C-N 3.25Å; Q116-G118 PolarHBondContact O-N 2.86Å; G118-L121 CarbonylContact O-C 3.5Å; G118-L121 PolarHBondContact O-N 2.74Å; G118-N122 PolarHBondContact O-N 3.5Å; G118-N122 VanDerWaalsContact O-N 3.08Å; G118-L123 PolarHBondContact O-N 3.18Å
119E97.1Very high96.9Very high133 Ų13356.9 Ų56.962%0.62129%0.29SS*.Hα-helixtrans-61-46.5175.7-73168.6-165.800111.8S115 Q116 L121 N122S115-E119 WeakPolarHBondContact O-CG 3.3Å; S115-E119 PolarHBondContact O-N 2.9Å; Q116-E119 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 3.37Å; E119-N122 PolarHBondContact O-N 3.14Å
120H96.7Very high97Very high132 Ų13256.2 Ų56.261%0.61128%0.28SS*.Hα-helixtrans-63.3-27.4178.4-71.782.3000113Q116 M117 V176Q116-H120 PolarHBondContact O-N 3.42Å; Q116-H120 PolarHBondContact O-ND1 3.43Å; M117-H120 PolarHBondContact O-N 3.48Å; H120-V176 HydrophobicContact CB-CB 4.1Å; H120-V176 HydrophobicContact CB-CG1 3.59Å
121L95.6Very high97.1Very high27 Ų2756.1 Ų56.114%0.14128%0.28CS..THydrogen-bonded Turntrans-93.23.5175.6-68.5176.9000113.5M117 G118 E119 L123 L157 E172 V173 V176M117-L121 WeakPolarHBondContact O-CG 3.4Å; M117-L121 PolarHBondContact O-N 2.86Å; M117-L121 VanDerWaalsContact O-N 3.16Å; G118-L121 CarbonylContact O-C 3.5Å; G118-L121 PolarHBondContact O-N 2.74Å; E119-L121 PolarHBondContact O-N 3.37Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 HydrophobicContact CB-CD1 4.08Å; L121-L123 HydrophobicContact CB-CD2 4.37Å; L121-L123 HydrophobicContact CB-CG 3.77Å; L121-L123 HydrophobicContact CD1-CD1 4.17Å; L121-L123 PolarHBondContact O-N 3.39Å; L121-L157 HydrophobicContact CD1-CD2 4.45Å; L121-E172 HydrophobicContact CD2-CB 4.35Å; L121-V173 HydrophobicContact CD1-CG2 4.45Å; L121-V176 HydrophobicContact CD1-CG2 3.8Å; L121-V176 HydrophobicContact CD2-CG1 3.75Å; L121-V176 HydrophobicContact CD2-CG2 4.21Å; L121-V176 HydrophobicContact CG-CB 4.45Å; L121-V176 HydrophobicContact CG-CG1 3.88Å; L121-V176 HydrophobicContact CG-CG2 3.84Å
122N95.4Very high97.1Very high143 Ų14355.9 Ų55.977%0.76528%0.279SS*.THydrogen-bonded Turntrans49.444.8-173.4-61.9-66.1000112.7G118 E119G118-N122 PolarHBondContact O-N 3.5Å; G118-N122 VanDerWaalsContact O-N 3.08Å; E119-N122 PolarHBondContact O-N 3.14Å
123L96.8Very high97.1Very high17 Ų1752 Ų529%0.08927%0.269CS..  trans-83140.6178.3-62.6177.8000111G118 L121 I127 L157 C161 R168G118-L123 PolarHBondContact O-N 3.18Å; L121-L123 VanDerWaalsContact C-N 3.26Å; L121-L123 HydrophobicContact CB-CD1 4.08Å; L121-L123 HydrophobicContact CB-CD2 4.37Å; L121-L123 HydrophobicContact CB-CG 3.77Å; L121-L123 HydrophobicContact CD1-CD1 4.17Å; L121-L123 PolarHBondContact O-N 3.39Å; L123-I127 HydrophobicContact CB-CB 4.47Å; L123-I127 HydrophobicContact CB-CD1 4.47Å; L123-I127 HydrophobicContact CD1-CG2 4.29Å; L123-I127 HydrophobicContact CD2-CD1 4.2Å; L123-L157 HydrophobicContact CD1-CD1 3.79Å; L123-L157 HydrophobicContact CD1-CD2 4.46Å; L123-L157 HydrophobicContact CD1-CG 4.32Å; L123-C161 VanDerWaalsContact CD1-SG 3.6Å; L123-R168 VanDerWaalsContact CD2-CZ 3.41Å
124P96.9Very high97.1Very high74 Ų7451 Ų5148%0.48127%0.265SS..  trans-54146.1168.1-25.933.9000112.1S126 I127P124-S126 PolarHBondContact O-N 3.18Å; P124-I127 HydrophobicContact CB-CG1 4.41Å; P124-I127 HydrophobicContact CG-CD1 4.37Å; P124-I127 PolarHBondContact O-N 2.93Å
125K96.2Very high97.1Very high119 Ų11951.1 Ų51.152%0.51727%0.265SS..Hα-helixtrans-56.7-35.4-179.1-176.951.8173.4148.40112.6I127 S128 D129K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 PolarHBondContact O-N 3.49Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.5Å; K125-D129 WeakPolarHBondContact CE-OD1 3.26Å; K125-D129 IonicContact NZ-OD1 3.33Å; K125-D129 PolarHBondContact NZ-OD1 3.44Å; K125-D129 PolarHBondContact O-N 3.48Å
126S97.5Very high97Very high71 Ų7151 Ų5150%0.49726%0.261SS..Hα-helixtrans-53-39.3174.655.20000113.6P124 D129 H130P124-S126 PolarHBondContact O-N 3.18Å; S126-D129 PolarHBondContact O-N 3.32Å; S126-H130 WeakPolarHBondContact O-CB 3.49Å; S126-H130 PolarHBondContact O-N 3.37Å
127I97.9Very high96.8Very high6 Ų649.4 Ų49.43%0.03125%0.254CS..Hα-helixtrans-69.8-39.5178.9-51.8-170.6000110.8L123 P124 K125 D129 H130 A131 L157 A160 E164 V166L123-I127 HydrophobicContact CB-CB 4.47Å; L123-I127 HydrophobicContact CB-CD1 4.47Å; L123-I127 HydrophobicContact CD1-CG2 4.29Å; L123-I127 HydrophobicContact CD2-CD1 4.2Å; P124-I127 HydrophobicContact CB-CG1 4.41Å; P124-I127 HydrophobicContact CG-CD1 4.37Å; P124-I127 PolarHBondContact O-N 2.93Å; K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 PolarHBondContact O-N 3.49Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-H130 PolarHBondContact O-N 3.12Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 3.46Å; I127-L157 HydrophobicContact CG2-CD1 4.49Å; I127-A160 HydrophobicContact CG2-CB 4.06Å; I127-E164 HydrophobicContact CD1-CB 4.42Å; I127-E164 HydrophobicContact CG1-CB 4.43Å; I127-E164 HydrophobicContact CG1-CG 4.14Å; I127-V166 HydrophobicContact CD1-CG2 3.53Å
128S97.6Very high96.7Very high5 Ų549.2 Ų49.24%0.03525%0.253CS..Hα-helixtrans-67.2-38.1176.7-590000111.1K125 A131 N132K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.5Å; S128-A131 WeakPolarHBondContact O-CB 3.06Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-N132 PolarHBondContact O-N 2.81Å; S128-N132 PolarHBondContact O-ND2 2.82Å
129D97.2Very high96.5Very high69 Ų6952 Ų5237%0.36927%0.266SS..Hα-helixtrans-69.8-39.6177.4-64.3-22000111.8K125 S126 I127 A131 N132 L133K125-D129 WeakPolarHBondContact CE-OD1 3.26Å; K125-D129 IonicContact NZ-OD1 3.33Å; K125-D129 PolarHBondContact NZ-OD1 3.44Å; K125-D129 PolarHBondContact O-N 3.48Å; S126-D129 PolarHBondContact O-N 3.32Å; I127-D129 VanDerWaalsContact C-N 3.34Å; D129-A131 VanDerWaalsContact C-N 3.35Å; D129-N132 WeakPolarHBondContact O-CB 3.3Å; D129-N132 PolarHBondContact O-N 3.42Å; D129-L133 PolarHBondContact O-N 3.46Å
130H97.6Very high96.2Very high43 Ų4350.5 Ų50.520%0.19926%0.259CS..Hα-helixtrans-61.9-42.7170.5-171.6178.1000111.2S126 I127 N132 L133 L134 A160 Q163 E164S126-H130 WeakPolarHBondContact O-CB 3.49Å; S126-H130 PolarHBondContact O-N 3.37Å; I127-H130 PolarHBondContact O-N 3.12Å; H130-N132 VanDerWaalsContact C-N 3.3Å; H130-N132 PolarHBondContact O-N 3.07Å; H130-L133 WeakPolarHBondContact O-CB 3.4Å; H130-L133 PolarHBondContact O-N 3.13Å; H130-L134 WeakPolarHBondContact O-CG 3.25Å; H130-L134 PolarHBondContact O-N 2.95Å; H130-A160 HydrophobicContact CB-CB 4.34Å; H130-Q163 PolarHBondContact CE1-OE1 2.88Å; H130-Q163 PolarHBondContact NE2-OE1 3.21Å; H130-E164 IonicContact CE1-OE1 3.69Å; H130-E164 IonicContact CG-OE1 3.09Å; H130-E164 IonicContact ND1-OE1 3.17Å; H130-E164 PolarHBondContact ND1-OE1 3.37Å
131A98.1Very high96Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-61.5-37.1174.500000112.7I114 I127 S128 D129 L134 F135 L157 A160I114-A131 HydrophobicContact CD1-CB 4.37Å; I114-A131 HydrophobicContact CG2-CB 3.64Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 3.46Å; S128-A131 WeakPolarHBondContact O-CB 3.06Å; S128-A131 PolarHBondContact O-N 3.13Å; D129-A131 VanDerWaalsContact C-N 3.35Å; A131-L134 PolarHBondContact O-N 2.79Å; A131-F135 WeakPolarHBondContact O-CB 3.48Å; A131-F135 PolarHBondContact O-N 3.19Å; A131-L157 HydrophobicContact CB-CB 4.35Å; A131-L157 HydrophobicContact CB-CD1 4.06Å; A131-A160 HydrophobicContact CB-CB 3.88Å
132N97.6Very high95.8Very high8 Ų853.4 Ų53.44%0.04327%0.273CS..Hα-helixtrans-64.6-41.3174.2-66.4-30.1000111.7L65 F111 I114 S128 D129 H130 F135 K136L65-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 WeakPolarHBondContact CA-OD1 3.32Å; F111-N132 HydrophobicContact CD1-CB 3.58Å; F111-N132 VanDerWaalsContact CD1-CG 3.45Å; F111-N132 WeakPolarHBondContact CD1-OD1 3.01Å; F111-N132 HydrophobicContact CE1-CB 3.65Å; F111-N132 WeakPolarHBondContact CE1-O 3.5Å; F111-N132 HydrophobicContact CG-CB 4.21Å; F111-N132 HydrophobicContact CZ-CB 4.32Å; I114-N132 WeakPolarHBondContact CD1-OD1 3.28Å; S128-N132 PolarHBondContact O-N 2.81Å; S128-N132 PolarHBondContact O-ND2 2.82Å; D129-N132 WeakPolarHBondContact O-CB 3.3Å; D129-N132 PolarHBondContact O-N 3.42Å; H130-N132 VanDerWaalsContact C-N 3.3Å; H130-N132 PolarHBondContact O-N 3.07Å; N132-F135 PolarHBondContact O-N 3.27Å; N132-K136 PolarHBondContact O-N 3.01Å
133L96.7Very high95.5Very high73 Ų7351.8 Ų51.838%0.38226%0.264SS..Hα-helixtrans-61-48.2174.4-179.965.7000111.5L65 D129 H130 F135 K136 Q137L65-L133 HydrophobicContact CD2-CB 4.37Å; L65-L133 HydrophobicContact CD2-CD1 3.82Å; D129-L133 PolarHBondContact O-N 3.46Å; H130-L133 WeakPolarHBondContact O-CB 3.4Å; H130-L133 PolarHBondContact O-N 3.13Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.27Å; L133-K136 PolarHBondContact O-N 2.93Å; L133-Q137 WeakPolarHBondContact O-CG 3.47Å; L133-Q137 PolarHBondContact O-N 3.33Å
134L96.7Very high95Very high4 Ų451.8 Ų51.82%0.02126%0.264CS..Hα-helixtrans-59.3-42.2176-67.8172.4000111.3H130 A131 Q137 V138 C156 M159 A160 L195H130-L134 WeakPolarHBondContact O-CG 3.25Å; H130-L134 PolarHBondContact O-N 2.95Å; A131-L134 PolarHBondContact O-N 2.79Å; L134-Q137 PolarHBondContact O-N 3.28Å; L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.26Å; L134-C156 HydrophobicContact CB-CB 4.19Å; L134-M159 HydrophobicContact CD1-CB 4.11Å; L134-M159 HydrophobicContact CD1-CG 3.99Å; L134-M159 HydrophobicContact CD2-CE 4.33Å; L134-A160 HydrophobicContact CD1-CB 4.02Å; L134-L195 HydrophobicContact CD2-CD1 3.76Å
135F96.7Very high94.4Very high2 Ų259.4 Ų59.41%0.00928%0.284CS..Hα-helixtrans-62-45.5177.6-173-85000111.5L107 A110 F111 I114 A131 N132 L133 V138 H139 N149 V152 S153 C156L107-F135 HydrophobicContact CD2-CD1 3.91Å; L107-F135 HydrophobicContact CD2-CE1 3.95Å; A110-F135 HydrophobicContact CB-CD1 3.71Å; A110-F135 HydrophobicContact CB-CD2 4.02Å; A110-F135 HydrophobicContact CB-CE1 3.29Å; A110-F135 HydrophobicContact CB-CE2 3.61Å; A110-F135 HydrophobicContact CB-CG 4.07Å; A110-F135 HydrophobicContact CB-CZ 3.24Å; F111-F135 HydrophobicContact CE1-CB 4.41Å; F111-F135 HydrophobicContact CE1-CD1 4.17Å; I114-F135 HydrophobicContact CD1-CB 4.02Å; I114-F135 HydrophobicContact CD1-CD2 4.45Å; I114-F135 HydrophobicContact CD1-CG 4.39Å; A131-F135 WeakPolarHBondContact O-CB 3.48Å; A131-F135 PolarHBondContact O-N 3.19Å; N132-F135 PolarHBondContact O-N 3.27Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.27Å; F135-V138 PolarHBondContact O-N 2.99Å; F135-H139 HydrophobicContact CD1-CB 4.44Å; F135-H139 HydrophobicContact CE1-CB 4.24Å; F135-H139 WeakPolarHBondContact O-CB 3.3Å; F135-H139 PolarHBondContact O-N 3.33Å; F135-N149 HydrophobicContact CZ-CB 4.49Å; F135-V152 HydrophobicContact CD2-CB 4.29Å; F135-V152 HydrophobicContact CD2-CG1 3.76Å; F135-V152 HydrophobicContact CE2-CB 3.82Å; F135-V152 HydrophobicContact CE2-CG1 3.68Å; F135-S153 WeakPolarHBondContact CE2-OG 3.27Å; F135-C156 HydrophobicContact CB-CB 4.43Å
136K95.2Very high93.9Very high26 Ų2657.6 Ų57.611%0.11330%0.298CS..Hα-helixtrans-56.5-54.1176178.9178.6-174.8151.40111.1F64 L65 L66 N132 L133 V138 H139 E140F64-K136 PolarHBondContact O-NZ 3.2Å; L65-K136 HydrophobicContact CB-CD 4.13Å; L65-K136 HydrophobicContact CD2-CB 4.48Å; L65-K136 HydrophobicContact CD2-CD 3.83Å; L65-K136 WeakPolarHBondContact O-CD 3.47Å; L65-K136 VanDerWaalsContact O-CE 3.31Å; L65-K136 WeakPolarHBondContact O-CE 3.29Å; L65-K136 PolarHBondContact O-NZ 3.02Å; L66-K136 PolarHBondContact O-NZ 2.64Å; N132-K136 PolarHBondContact O-N 3.01Å; L133-K136 PolarHBondContact O-N 2.93Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.23Å; K136-H139 WeakPolarHBondContact O-CB 3.4Å; K136-H139 PolarHBondContact O-N 3.05Å; K136-H139 VanDerWaalsContact O-N 3.1Å; K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact CG-OE1 3.31Å; K136-E140 IonicContact NZ-OE1 2.64Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.4Å
137Q94.7Very high93.7Very high79 Ų7957.7 Ų57.737%0.36929%0.288SS..Hα-helixtrans-56.4-46.1-179.8-70.2174-1800111.8L133 L134 H139 E140 T141 L195L133-Q137 WeakPolarHBondContact O-CG 3.47Å; L133-Q137 PolarHBondContact O-N 3.33Å; L134-Q137 PolarHBondContact O-N 3.28Å; Q137-H139 PolarHBondContact O-N 3.11Å; Q137-E140 PolarHBondContact O-N 2.83Å; Q137-T141 VanDerWaalsContact O-CG2 3.27Å; Q137-T141 WeakPolarHBondContact O-CG2 3.32Å; Q137-T141 PolarHBondContact O-N 2.93Å; Q137-L195 HydrophobicContact CB-CD2 3.9Å
138V94.8Very high93.5Very high2 Ų260.3 Ų60.31%0.01231%0.307CS..Hα-helixtrans-65.7-40.3178.5172.20000111.5L134 F135 K136 T141 L144 V152 I191 L195L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 WeakPolarHBondContact O-CG2 3.46Å; L134-V138 PolarHBondContact O-N 3.26Å; F135-V138 PolarHBondContact O-N 2.99Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 3.23Å; V138-T141 PolarHBondContact O-OG1 2.94Å; V138-L144 HydrophobicContact CG1-CB 4.46Å; V138-L144 HydrophobicContact CG1-CD1 3.24Å; V138-L144 HydrophobicContact CG1-CG 3.87Å; V138-V152 HydrophobicContact CG1-CG1 3.94Å; V138-I191 HydrophobicContact CG1-CG1 4.27Å; V138-I191 HydrophobicContact CG2-CB 4.49Å; V138-I191 HydrophobicContact CG2-CG1 4.14Å; V138-I191 HydrophobicContact CG2-CG2 3.79Å; V138-L195 HydrophobicContact CG2-CD1 3.86Å; V138-L195 HydrophobicContact CG2-CD2 3.95Å; V138-L195 HydrophobicContact CG2-CG 3.95Å
139H93.2Very high93.3Very high59 Ų5963.3 Ų63.327%0.27332%0.322SS..Hα-helixtrans-65.1-42.9179.2-178.7-97.5000111.9L107 F135 K136 Q137 T141 K142L107-H139 HydrophobicContact CD2-CB 4.22Å; F135-H139 HydrophobicContact CD1-CB 4.44Å; F135-H139 HydrophobicContact CE1-CB 4.24Å; F135-H139 WeakPolarHBondContact O-CB 3.3Å; F135-H139 PolarHBondContact O-N 3.33Å; K136-H139 WeakPolarHBondContact O-CB 3.4Å; K136-H139 PolarHBondContact O-N 3.05Å; K136-H139 VanDerWaalsContact O-N 3.1Å; Q137-H139 PolarHBondContact O-N 3.11Å; H139-T141 VanDerWaalsContact C-N 3.33Å; H139-T141 PolarHBondContact O-N 3.31Å; H139-K142 PolarHBondContact O-N 3.25Å; H139-K142 VanDerWaalsContact O-N 3.13Å
140E92.1Very high93.2Very high101 Ų10161.8 Ų61.847%0.47231%0.314SS..Hα-helixtrans-62.1-36.1178.8-74.8173.5170.800113.1K136 Q137 K142K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact CG-OE1 3.31Å; K136-E140 IonicContact NZ-OE1 2.64Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.4Å; Q137-E140 PolarHBondContact O-N 2.83Å; E140-K142 PolarHBondContact O-N 2.86Å
141T92.4Very high93.2Very high54 Ų5459.8 Ų59.833%0.33131%0.305SS..THydrogen-bonded Turntrans-65.8-17.9177.668.10000113.4Q137 V138 H139 N143 I194Q137-T141 VanDerWaalsContact O-CG2 3.27Å; Q137-T141 WeakPolarHBondContact O-CG2 3.32Å; Q137-T141 PolarHBondContact O-N 2.93Å; V138-T141 PolarHBondContact O-OG1 2.94Å; H139-T141 VanDerWaalsContact C-N 3.33Å; H139-T141 PolarHBondContact O-N 3.31Å; T141-N143 PolarHBondContact O-N 3.41Å; T141-N143 PolarHBondContact O-OD1 2.91Å; T141-I194 HydrophobicContact CG2-CG2 3.79Å; T141-I194 WeakPolarHBondContact OG1-CG2 3.49Å
142K89.9Confident93.1Very high166 Ų16660.1 Ų60.172%0.72231%0.307SS*.  trans58.27.9-176.7-59.6172.3-173.11740115.1H139 E140 L144 R145H139-K142 PolarHBondContact O-N 3.25Å; H139-K142 VanDerWaalsContact O-N 3.13Å; E140-K142 PolarHBondContact O-N 2.86Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.25Å; K142-R145 WeakPolarHBondContact O-CB 3.23Å; K142-R145 PolarHBondContact O-N 3Å
143N89.8Confident93.1Very high109 Ų10959.7 Ų59.758%0.58331%0.305SS*.THydrogen-bonded Turntrans-74.2-16.3-175.7-76.5-11.6000114.4T141 I194T141-N143 PolarHBondContact O-N 3.41Å; T141-N143 PolarHBondContact O-OD1 2.91Å; N143-I194 HydrophobicContact CB-CD1 3.56Å; N143-I194 HydrophobicContact CB-CG1 3.81Å; N143-I194 HydrophobicContact CB-CG2 4.39Å
144L86.7Confident93.2Very high17 Ų1756.2 Ų56.29%0.08929%0.287CS..THydrogen-bonded Turntrans-102.815.4176.3-63.1-172.7000113.7V138 K142 G146 R147 V152 V187 K190 I191 I194V138-L144 HydrophobicContact CG1-CB 4.46Å; V138-L144 HydrophobicContact CG1-CD1 3.24Å; V138-L144 HydrophobicContact CG1-CG 3.87Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.25Å; L144-G146 PolarHBondContact O-N 2.63Å; L144-R147 WeakPolarHBondContact O-CB 3.38Å; L144-R147 PolarHBondContact O-N 3.16Å; L144-V152 HydrophobicContact CB-CG2 4.31Å; L144-V152 HydrophobicContact CD1-CG1 4Å; L144-V152 HydrophobicContact CD1-CG2 3.8Å; L144-V187 HydrophobicContact CD1-CG1 4.17Å; L144-K190 HydrophobicContact CD2-CB 3.78Å; L144-K190 HydrophobicContact CD2-CD 3.82Å; L144-K190 HydrophobicContact CD2-CG 4.48Å; L144-I191 HydrophobicContact CD1-CD1 4.41Å; L144-I191 HydrophobicContact CD1-CG1 3.78Å; L144-I194 HydrophobicContact CD1-CD1 4.26Å; L144-I194 HydrophobicContact CD2-CD1 3.49Å; L144-I194 VanDerWaalsContact CD2-CD1 3.49Å; L144-I194 HydrophobicContact CG-CD1 3.57Å
145R83.1Confident93.2Very high235 Ų23556 Ų5689%0.88729%0.286SS*.THydrogen-bonded Turntrans-54.8127.4177.2-167.9174.8-178.7-179.80.1110.5K142K142-R145 WeakPolarHBondContact O-CB 3.23Å; K142-R145 PolarHBondContact O-N 3Å
146G87Confident93.3Very high80 Ų8056 Ų5683%0.82529%0.285SS*.THydrogen-bonded Turntrans94.5-3.8-177.500000115.3L144L144-G146 PolarHBondContact O-N 2.63Å
147R91.9Very high93.4Very high73 Ų7354.7 Ų54.728%0.27528%0.28SS..SBendtrans-86.4152.6164.8-65.4-70.6168.3143.3-5.1110.2L144 N149 V152 E183L144-R147 WeakPolarHBondContact O-CB 3.38Å; L144-R147 PolarHBondContact O-N 3.16Å; R147-N149 PolarHBondContact O-N 3.21Å; R147-V152 HydrophobicContact CB-CG2 4.25Å; R147-E183 WeakPolarHBondContact CD-OE1 3.44Å; R147-E183 IonicContact CZ-OE1 2.76Å; R147-E183 IonicContact NE-OE1 3.36Å; R147-E183 IonicContact NH1-OE1 2.8Å; R147-E183 PolarHBondContact NH1-OE1 2.71Å; R147-E183 IonicContact NH1-OE2 3.18Å; R147-E183 PolarHBondContact NH1-OE2 3.35Å
148S93.8Very high93.5Very high62 Ų6251.6 Ų51.643%0.43427%0.265SS..  trans-63.3133.1174.7179.50000110D150 A151 V152S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-N 3.28Å; S148-A151 WeakPolarHBondContact O-CA 3.38Å; S148-A151 WeakPolarHBondContact O-CB 3.48Å; S148-A151 PolarHBondContact O-N 2.77Å; S148-V152 PolarHBondContact O-N 3.06Å; S148-V152 VanDerWaalsContact O-N 3.09Å
149N94.1Very high93.6Very high67 Ų6751.5 Ų51.536%0.35826%0.264SS..Hα-helixtrans-59.4-39175.7-71.2-28000110.8V106 F135 R147 A151 V152 S153V106-N149 WeakPolarHBondContact CG1-ND2 3.42Å; F135-N149 HydrophobicContact CZ-CB 4.49Å; R147-N149 PolarHBondContact O-N 3.21Å; N149-A151 PolarHBondContact O-N 3.03Å; N149-V152 CarbonylContact O-C 3.53Å; N149-V152 PolarHBondContact O-N 3.02Å; N149-S153 WeakPolarHBondContact O-CB 3.45Å; N149-S153 PolarHBondContact O-N 3.15Å; N149-S153 PolarHBondContact O-OG 3.15Å; N149-S153 VanDerWaalsContact O-OG 3.06Å
150D95.6Very high93.8Very high37 Ų3748.7 Ų48.720%0.19825%0.251CS..Hα-helixtrans-54.1-42.1172.7-59.326.5000111.7E113 S148 T154 R178 V179E113-D150 WeakPolarHBondContact OE1-CA 3.16Å; E113-D150 WeakPolarHBondContact OE1-CB 3.16Å; E113-D150 WeakPolarHBondContact OE2-CA 3.45Å; S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-N 3.28Å; D150-T154 WeakPolarHBondContact O-CB 3.41Å; D150-T154 PolarHBondContact O-N 2.68Å; D150-T154 PolarHBondContact O-OG1 3.3Å; D150-R178 IonicContact OD1-NH2 3.26Å; D150-R178 IonicContact OD2-CZ 3.86Å; D150-R178 VanDerWaalsContact OD2-CZ 3.3Å; D150-R178 IonicContact OD2-NE 3.4Å; D150-R178 PolarHBondContact OD2-NE 2.72Å; D150-R178 IonicContact OD2-NH2 2.68Å; D150-R178 PolarHBondContact OD2-NH2 3.38Å; D150-V179 HydrophobicContact CB-CG2 3.84Å
151A96.9Very high94.1Very high1 Ų143.9 Ų43.91%0.00823%0.229CC..Hα-helixtrans-70-35.2179.100000112.5S148 N149 A155 V179 E183 V187S148-A151 WeakPolarHBondContact O-CA 3.38Å; S148-A151 WeakPolarHBondContact O-CB 3.48Å; S148-A151 PolarHBondContact O-N 2.77Å; N149-A151 PolarHBondContact O-N 3.03Å; A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.22Å; A151-A155 PolarHBondContact O-N 3.39Å; A151-A155 VanDerWaalsContact O-N 3.11Å; A151-V179 HydrophobicContact CB-CG1 3.69Å; A151-V179 HydrophobicContact CB-CG2 4.06Å; A151-E183 HydrophobicContact CB-CG 4.09Å; A151-V187 HydrophobicContact CB-CG2 4.1Å
152V97.1Very high94.2Very high7 Ų743.3 Ų43.34%0.04222%0.221CC..Hα-helixtrans-70.2-49.9174.7-177.50000110.3F135 V138 L144 R147 S148 N149 T154 A155 C156 V187 I191F135-V152 HydrophobicContact CD2-CB 4.29Å; F135-V152 HydrophobicContact CD2-CG1 3.76Å; F135-V152 HydrophobicContact CE2-CB 3.82Å; F135-V152 HydrophobicContact CE2-CG1 3.68Å; V138-V152 HydrophobicContact CG1-CG1 3.94Å; L144-V152 HydrophobicContact CB-CG2 4.31Å; L144-V152 HydrophobicContact CD1-CG1 4Å; L144-V152 HydrophobicContact CD1-CG2 3.8Å; R147-V152 HydrophobicContact CB-CG2 4.25Å; S148-V152 PolarHBondContact O-N 3.06Å; S148-V152 VanDerWaalsContact O-N 3.09Å; N149-V152 CarbonylContact O-C 3.53Å; N149-V152 PolarHBondContact O-N 3.02Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 2.67Å; V152-A155 PolarHBondContact O-N 3.02Å; V152-A155 VanDerWaalsContact O-N 3.14Å; V152-C156 WeakPolarHBondContact O-CB 3.39Å; V152-C156 PolarHBondContact O-N 2.92Å; V152-C156 PolarHBondContact O-SG 3.26Å; V152-V187 HydrophobicContact CG2-CG1 4.11Å; V152-I191 HydrophobicContact CG1-CD1 4.44Å
153S97.4Very high94.5Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-52.2-48.9174.4-64.40000112.1A110 F135 N149 A155 C156 L157A110-S153 WeakPolarHBondContact CB-OG 3.38Å; F135-S153 WeakPolarHBondContact CE2-OG 3.27Å; N149-S153 WeakPolarHBondContact O-CB 3.45Å; N149-S153 PolarHBondContact O-N 3.15Å; N149-S153 PolarHBondContact O-OG 3.15Å; N149-S153 VanDerWaalsContact O-OG 3.06Å; S153-A155 PolarHBondContact O-N 3.1Å; S153-C156 PolarHBondContact O-N 2.84Å; S153-L157 PolarHBondContact O-N 3.34Å
154T97.8Very high94.7Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-63.8-40.9179.9-57.90000111.7M117 D150 V152 Y158 V173 S177 I184M117-T154 HydrophobicContact SD-CG2 4.31Å; D150-T154 WeakPolarHBondContact O-CB 3.41Å; D150-T154 PolarHBondContact O-N 2.68Å; D150-T154 PolarHBondContact O-OG1 3.3Å; V152-T154 VanDerWaalsContact C-N 3.32Å; V152-T154 PolarHBondContact O-N 2.67Å; T154-Y158 WeakPolarHBondContact O-CB 3.33Å; T154-Y158 PolarHBondContact O-N 3.26Å; T154-V173 HydrophobicContact CG2-CG1 3.28Å; T154-S177 WeakPolarHBondContact CG2-OG 3.25Å; T154-S177 WeakPolarHBondContact OG1-CB 3.25Å; T154-S177 PolarHBondContact OG1-OG 3.41Å; T154-I184 HydrophobicContact CG2-CD1 3.58Å; T154-I184 HydrophobicContact CG2-CG1 3.8Å; T154-I184 HydrophobicContact CG2-CG2 4.37Å
155A97.5Very high95Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-72.3-35.5178.100000112.7A151 V152 S153 Y158 M159 I184 V187 F188 I191A151-A155 VanDerWaalsContact O-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.22Å; A151-A155 PolarHBondContact O-N 3.39Å; A151-A155 VanDerWaalsContact O-N 3.11Å; V152-A155 PolarHBondContact O-N 3.02Å; V152-A155 VanDerWaalsContact O-N 3.14Å; S153-A155 PolarHBondContact O-N 3.1Å; A155-Y158 PolarHBondContact O-N 3.22Å; A155-M159 WeakPolarHBondContact O-CB 3.48Å; A155-M159 PolarHBondContact O-N 2.98Å; A155-I184 HydrophobicContact CB-CG2 4.49Å; A155-V187 HydrophobicContact CB-CB 4.07Å; A155-V187 HydrophobicContact CB-CG1 3.71Å; A155-F188 HydrophobicContact CB-CB 4.37Å; A155-I191 HydrophobicContact CB-CD1 3.64Å
156C97.5Very high95.6Very high0 Ų030.6 Ų30.60%019%0.187CC..Hα-helixtrans-62.9-45.2172.2-710000111.1L134 F135 V152 S153 Y158 M159 A160L134-C156 HydrophobicContact CB-CB 4.19Å; F135-C156 HydrophobicContact CB-CB 4.43Å; V152-C156 WeakPolarHBondContact O-CB 3.39Å; V152-C156 PolarHBondContact O-N 2.92Å; V152-C156 PolarHBondContact O-SG 3.26Å; S153-C156 PolarHBondContact O-N 2.84Å; C156-Y158 PolarHBondContact O-N 3.16Å; C156-M159 PolarHBondContact O-N 3.48Å; C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.03Å
157L98.1Very high96Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-60.4-45.7175-177.262.4000111.7I114 M117 L121 L123 I127 A131 S153 M159 A160 C161I114-L157 HydrophobicContact CG2-CD1 4.39Å; M117-L157 HydrophobicContact CB-CD2 3.44Å; M117-L157 VanDerWaalsContact CB-CD2 3.44Å; M117-L157 HydrophobicContact CE-CB 4.5Å; M117-L157 HydrophobicContact CE-CD2 4.07Å; M117-L157 HydrophobicContact CG-CD2 4.48Å; M117-L157 HydrophobicContact SD-CD2 4.35Å; L121-L157 HydrophobicContact CD1-CD2 4.45Å; L123-L157 HydrophobicContact CD1-CD1 3.79Å; L123-L157 HydrophobicContact CD1-CD2 4.46Å; L123-L157 HydrophobicContact CD1-CG 4.32Å; I127-L157 HydrophobicContact CG2-CD1 4.49Å; A131-L157 HydrophobicContact CB-CB 4.35Å; A131-L157 HydrophobicContact CB-CD1 4.06Å; S153-L157 PolarHBondContact O-N 3.34Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 2.94Å; L157-A160 PolarHBondContact O-N 3.26Å; L157-C161 PolarHBondContact O-N 2.99Å; L157-C161 PolarHBondContact O-SG 3.48Å
158Y97.5Very high96.2Very high14 Ų1425 Ų256%0.05514%0.142CC..Hα-helixtrans-59.5-41.6175.2175.1-97.2000112.3T154 A155 C156 R162 R168 F170 V173 F188T154-Y158 WeakPolarHBondContact O-CB 3.33Å; T154-Y158 PolarHBondContact O-N 3.26Å; A155-Y158 PolarHBondContact O-N 3.22Å; C156-Y158 PolarHBondContact O-N 3.16Å; Y158-R162 HydrophobicContact CE1-CG 4.37Å; Y158-R162 PolarHBondContact O-N 3.46Å; Y158-R168 WeakPolarHBondContact CE2-O 3.19Å; Y158-F170 HydrophobicContact CD1-CE1 4.05Å; Y158-F170 HydrophobicContact CD1-CZ 4.4Å; Y158-F170 HydrophobicContact CD2-CD1 4.3Å; Y158-F170 HydrophobicContact CD2-CE1 4.27Å; Y158-F170 AromaticContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE2 4.44Å; Y158-F170 AromaticContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE2-CD1 4.02Å; Y158-F170 HydrophobicContact CE2-CD2 4.47Å; Y158-F170 AromaticContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE2 4.4Å; Y158-F170 HydrophobicContact CE2-CG 4.29Å; Y158-F170 HydrophobicContact CE2-CZ 4.13Å; Y158-F170 HydrophobicContact CG-CE1 4.32Å; Y158-F170 AromaticContact CZ-CE1 3.67Å; Y158-F170 AromaticContact CZ-CE2 3.87Å; Y158-F170 AromaticContact CZ-CZ 3.48Å; Y158-F170 VanDerWaalsContact CZ-CZ 3.48Å; Y158-F170 WeakPolarHBondContact OH-CE2 3.48Å; Y158-F170 WeakPolarHBondContact OH-CZ 3.47Å; Y158-V173 HydrophobicContact CD2-CG2 4.06Å; Y158-F188 AromaticContact CD1-CD2 3.56Å; Y158-F188 HydrophobicContact CD1-CD2 3.56Å; Y158-F188 AromaticContact CD1-CE2 3.74Å; Y158-F188 HydrophobicContact CD1-CE2 3.74Å; Y158-F188 AromaticContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CZ 4.3Å; Y158-F188 HydrophobicContact CE1-CD1 4.07Å; Y158-F188 AromaticContact CE1-CD2 3.84Å; Y158-F188 HydrophobicContact CE1-CD2 3.84Å; Y158-F188 AromaticContact CE1-CE1 3.98Å; Y158-F188 HydrophobicContact CE1-CE1 3.98Å; Y158-F188 AromaticContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CG 4Å; Y158-F188 AromaticContact CE1-CZ 3.82Å; Y158-F188 HydrophobicContact CE1-CZ 3.82Å
159M96.7Very high96.3Very high0 Ų022.7 Ų22.70%013%0.125CC..Hα-helixtrans-65.8-46.2177.5-178.4161.6169.600111.9L134 A155 C156 L157 C161 R162 Q163 F188 I191 L192 L195 T197 V199L134-M159 HydrophobicContact CD1-CB 4.11Å; L134-M159 HydrophobicContact CD1-CG 3.99Å; L134-M159 HydrophobicContact CD2-CE 4.33Å; A155-M159 WeakPolarHBondContact O-CB 3.48Å; A155-M159 PolarHBondContact O-N 2.98Å; C156-M159 PolarHBondContact O-N 3.48Å; L157-M159 VanDerWaalsContact C-N 3.31Å; L157-M159 PolarHBondContact O-N 2.94Å; M159-C161 VanDerWaalsContact C-N 3.35Å; M159-C161 PolarHBondContact O-N 2.93Å; M159-R162 PolarHBondContact O-N 3.2Å; M159-Q163 HydrophobicContact CG-CG 4.48Å; M159-Q163 PolarHBondContact O-N 2.72Å; M159-F188 HydrophobicContact CB-CD2 4.25Å; M159-F188 HydrophobicContact CB-CE2 4Å; M159-F188 HydrophobicContact CG-CE2 4.26Å; M159-I191 HydrophobicContact SD-CG2 3.55Å; M159-I191 VanDerWaalsContact SD-CG2 3.55Å; M159-L192 HydrophobicContact CE-CD2 4.1Å; M159-L192 HydrophobicContact SD-CD2 4.14Å; M159-L195 HydrophobicContact CE-CD1 4.12Å; M159-T197 HydrophobicContact CE-CG2 3.79Å; M159-V199 HydrophobicContact CE-CG2 4.22Å; M159-V199 HydrophobicContact CG-CG2 4.28Å
160A97.4Very high96.4Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-56.8-47.1175.800000111.1I127 H130 A131 L134 C156 L157 R162 Q163 E164I127-A160 HydrophobicContact CG2-CB 4.06Å; H130-A160 HydrophobicContact CB-CB 4.34Å; A131-A160 HydrophobicContact CB-CB 3.88Å; L134-A160 HydrophobicContact CD1-CB 4.02Å; C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.03Å; L157-A160 PolarHBondContact O-N 3.26Å; A160-R162 PolarHBondContact O-N 3.28Å; A160-Q163 PolarHBondContact O-N 3.05Å; A160-Q163 VanDerWaalsContact O-N 3.11Å; A160-E164 WeakPolarHBondContact O-CB 3.46Å; A160-E164 VanDerWaalsContact O-CG 3.29Å; A160-E164 WeakPolarHBondContact O-CG 3.4Å; A160-E164 PolarHBondContact O-N 3.38Å
161C97.1Very high96.3Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-57-35.6176.1-67.30000113.1L123 L157 M159 V166 R168L123-C161 VanDerWaalsContact CD1-SG 3.6Å; L157-C161 PolarHBondContact O-N 2.99Å; L157-C161 PolarHBondContact O-SG 3.48Å; M159-C161 VanDerWaalsContact C-N 3.35Å; M159-C161 PolarHBondContact O-N 2.93Å; C161-V166 CarbonylContact O-C 3.3Å; C161-V166 WeakPolarHBondContact O-CA 3.38Å; C161-V166 PolarHBondContact O-N 3.19Å; C161-R168 HydrophobicContact CB-CG 4.19Å
162R95.6Very high96.2Very high41 Ų4126.6 Ų26.616%0.15514%0.138CC..Hα-helixtrans-77.5-34.4177.6-65.5-170.266.9-168.70.1112.8Y158 M159 A160 G165 P167 V199 Q200Y158-R162 HydrophobicContact CE1-CG 4.37Å; Y158-R162 PolarHBondContact O-N 3.46Å; M159-R162 PolarHBondContact O-N 3.2Å; A160-R162 PolarHBondContact O-N 3.28Å; R162-G165 PolarHBondContact O-N 3Å; R162-P167 HydrophobicContact CG-CB 3.98Å; R162-V199 HydrophobicContact CB-CG1 3.25Å; R162-V199 HydrophobicContact CG-CG1 4.15Å; R162-Q200 PolarHBondContact NH2-O 2.9Å
163Q95.3Very high96.2Very high64 Ų6426.3 Ų26.330%0.29914%0.135SC..Hα-helixtrans-70.3-35.1177.2-73.9175.4-52.200111.9H130 M159 A160 G165 V199H130-Q163 PolarHBondContact CE1-OE1 2.88Å; H130-Q163 PolarHBondContact NE2-OE1 3.21Å; M159-Q163 HydrophobicContact CG-CG 4.48Å; M159-Q163 PolarHBondContact O-N 2.72Å; A160-Q163 PolarHBondContact O-N 3.05Å; A160-Q163 VanDerWaalsContact O-N 3.11Å; Q163-G165 PolarHBondContact O-N 3.3Å; Q163-V199 HydrophobicContact CG-CG2 4.24Å
164E94.8Very high96.1Very high88 Ų8828.3 Ų28.341%0.41115%0.149SC..THydrogen-bonded Turntrans-77.37.7175.7-63.6-64.7146.300113.6I127 H130 A160 V166I127-E164 HydrophobicContact CD1-CB 4.42Å; I127-E164 HydrophobicContact CG1-CB 4.43Å; I127-E164 HydrophobicContact CG1-CG 4.14Å; H130-E164 IonicContact CE1-OE1 3.69Å; H130-E164 IonicContact CG-OE1 3.09Å; H130-E164 IonicContact ND1-OE1 3.17Å; H130-E164 PolarHBondContact ND1-OE1 3.37Å; A160-E164 WeakPolarHBondContact O-CB 3.46Å; A160-E164 VanDerWaalsContact O-CG 3.29Å; A160-E164 WeakPolarHBondContact O-CG 3.4Å; A160-E164 PolarHBondContact O-N 3.38Å; E164-V166 HydrophobicContact CB-CG2 4.06Å; E164-V166 PolarHBondContact O-N 3.4Å
165G93.6Very high96Very high49 Ų4932.4 Ų32.451%0.50518%0.183SC..THydrogen-bonded Turntrans70.312.6178.300000115.2R162 Q163 P167R162-G165 PolarHBondContact O-N 3Å; Q163-G165 PolarHBondContact O-N 3.3Å; G165-P167 WeakPolarHBondContact O-CD 3.46Å
166V94.8Very high96Very high60 Ų6034.2 Ų34.236%0.36419%0.194SC..  trans-123.258.8-179.2-68.90000111.9I127 C161 E164 R168I127-V166 HydrophobicContact CD1-CG2 3.53Å; C161-V166 CarbonylContact O-C 3.3Å; C161-V166 WeakPolarHBondContact O-CA 3.38Å; C161-V166 PolarHBondContact O-N 3.19Å; E164-V166 HydrophobicContact CB-CG2 4.06Å; E164-V166 PolarHBondContact O-N 3.4Å; V166-R168 PolarHBondContact O-N 3.35Å; V166-R168 PolarHBondContact O-NH1 3.46Å
167P96.3Very high95.9Very high5 Ų535 Ų353%0.03220%0.199CC..PPolyproline II helixtrans-58.9136.5-170.526.5-36.2000112.5R162 G165 V202 D206 R210R162-P167 HydrophobicContact CG-CB 3.98Å; G165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-V202 HydrophobicContact CB-CG1 4.08Å; P167-V202 HydrophobicContact CB-CG2 3.87Å; P167-V202 HydrophobicContact CG-CG1 3.74Å; P167-V202 HydrophobicContact CG-CG2 4.24Å; P167-D206 HydrophobicContact CG-CB 3.41Å; P167-D206 VanDerWaalsContact CG-CB 3.41Å; P167-D206 WeakPolarHBondContact CG-OD2 3.4Å; P167-R210 PolarHBondContact O-NH1 2.9Å; P167-R210 PolarHBondContact O-NH2 2.74Å
168R96.1Very high95.7Very high30 Ų3044.6 Ų44.611%0.11324%0.236CC..PPolyproline II helixtrans-97148.9168.6-63.9-58.3-173.8-91.910.3109.5L123 Y158 C161 V166 E172 V173 R210L123-R168 VanDerWaalsContact CD2-CZ 3.41Å; Y158-R168 WeakPolarHBondContact CE2-O 3.19Å; C161-R168 HydrophobicContact CB-CG 4.19Å; V166-R168 PolarHBondContact O-N 3.35Å; V166-R168 PolarHBondContact O-NH1 3.46Å; R168-E172 HydrophobicContact CB-CB 4.5Å; R168-V173 HydrophobicContact CB-CG2 3.81Å; R168-R210 VanDerWaalsContact CD-CZ 3.48Å
169T95.8Very high95.6Very high14 Ų1444.7 Ų44.79%0.08624%0.237CC..PPolyproline II helixtrans-73.3154.2172.167.80000109.6K171 E172 V173 F207 F211 V244T169-K171 PolarHBondContact O-N 3.09Å; T169-K171 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact OG1-N 3.06Å; T169-E172 VanDerWaalsContact CB-OE2 3.32Å; T169-E172 WeakPolarHBondContact CB-OE2 3.49Å; T169-E172 VanDerWaalsContact CG2-OE2 3.3Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.11Å; T169-E172 PolarHBondContact N-OE2 3.03Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-N 3.14Å; T169-E172 VanDerWaalsContact OG1-N 3.12Å; T169-E172 PolarHBondContact OG1-OE2 2.79Å; T169-V173 PolarHBondContact O-N 2.63Å; T169-V173 VanDerWaalsContact O-N 3.16Å; T169-F207 HydrophobicContact CG2-CD1 4.16Å; T169-F207 HydrophobicContact CG2-CE1 3.52Å; T169-F207 HydrophobicContact CG2-CZ 3.97Å; T169-F211 HydrophobicContact CG2-CZ 4.34Å; T169-V244 HydrophobicContact CG2-CG1 4.19Å; T169-V244 HydrophobicContact CG2-CG2 3.65Å
170F94.8Very high95.6Very high50 Ų5047.9 Ų47.922%0.21926%0.26CS..Hα-helixtrans-57.9-27172.2-74.6-69000112.9Y158 C174 K181 I184Y158-F170 HydrophobicContact CD1-CE1 4.05Å; Y158-F170 HydrophobicContact CD1-CZ 4.4Å; Y158-F170 HydrophobicContact CD2-CD1 4.3Å; Y158-F170 HydrophobicContact CD2-CE1 4.27Å; Y158-F170 AromaticContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE1 3.72Å; Y158-F170 HydrophobicContact CE1-CE2 4.44Å; Y158-F170 AromaticContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE1-CZ 3.63Å; Y158-F170 HydrophobicContact CE2-CD1 4.02Å; Y158-F170 HydrophobicContact CE2-CD2 4.47Å; Y158-F170 AromaticContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE1 3.93Å; Y158-F170 HydrophobicContact CE2-CE2 4.4Å; Y158-F170 HydrophobicContact CE2-CG 4.29Å; Y158-F170 HydrophobicContact CE2-CZ 4.13Å; Y158-F170 HydrophobicContact CG-CE1 4.32Å; Y158-F170 AromaticContact CZ-CE1 3.67Å; Y158-F170 AromaticContact CZ-CE2 3.87Å; Y158-F170 AromaticContact CZ-CZ 3.48Å; Y158-F170 VanDerWaalsContact CZ-CZ 3.48Å; Y158-F170 WeakPolarHBondContact OH-CE2 3.48Å; Y158-F170 WeakPolarHBondContact OH-CZ 3.47Å; F170-C174 WeakPolarHBondContact O-CB 3.43Å; F170-C174 PolarHBondContact O-N 3.04Å; F170-K181 HydrophobicContact CB-CD 4.15Å; F170-K181 HydrophobicContact CB-CG 3.97Å; F170-K181 HydrophobicContact CG-CG 4.47Å; F170-I184 HydrophobicContact CD1-CB 4.37Å; F170-I184 HydrophobicContact CD1-CG2 3.86Å; F170-I184 HydrophobicContact CE1-CG2 3.88Å
171K94.6Very high95.5Very high106 Ų10653.2 Ų53.246%0.46128%0.283SS..Hα-helixtrans-73.9-41.6178.8-78-173.5173.8-165.90111.8T169 V173 C174 A175 G272T169-K171 PolarHBondContact O-N 3.09Å; T169-K171 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact OG1-N 3.06Å; K171-V173 VanDerWaalsContact C-N 3.35Å; K171-V173 PolarHBondContact O-N 2.78Å; K171-C174 PolarHBondContact O-N 3.46Å; K171-A175 WeakPolarHBondContact O-CB 3.48Å; K171-A175 PolarHBondContact O-N 3.35Å; K171-G272 WeakPolarHBondContact CD-O 3.17Å; K171-G272 WeakPolarHBondContact CE-O 3.4Å; K171-G272 PolarHBondContact NZ-O 3.37Å
172E95.4Very high95.5Very high31 Ų3160.5 Ų60.515%0.14532%0.315CS..Hα-helixtrans-59.5-47.1173.9-72.7164.5114.400111.1L121 R168 T169 C174 A175 R210L121-E172 HydrophobicContact CD2-CB 4.35Å; R168-E172 HydrophobicContact CB-CB 4.5Å; T169-E172 VanDerWaalsContact CB-OE2 3.32Å; T169-E172 WeakPolarHBondContact CB-OE2 3.49Å; T169-E172 VanDerWaalsContact CG2-OE2 3.3Å; T169-E172 WeakPolarHBondContact CG2-OE2 3.11Å; T169-E172 PolarHBondContact N-OE2 3.03Å; T169-E172 PolarHBondContact O-N 3.23Å; T169-E172 VanDerWaalsContact OG1-CG 3.3Å; T169-E172 WeakPolarHBondContact OG1-CG 3.44Å; T169-E172 PolarHBondContact OG1-N 3.14Å; T169-E172 VanDerWaalsContact OG1-N 3.12Å; T169-E172 PolarHBondContact OG1-OE2 2.79Å; E172-C174 PolarHBondContact O-N 3.26Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.83Å; E172-R210 VanDerWaalsContact CD-NH2 3.3Å; E172-R210 IonicContact OE1-CZ 2.59Å; E172-R210 IonicContact OE1-NE 3.9Å; E172-R210 PolarHBondContact OE1-NE 3.04Å; E172-R210 IonicContact OE1-NH2 2.64Å; E172-R210 PolarHBondContact OE1-NH2 3.39Å; E172-R210 IonicContact OE2-CZ 2.73Å; E172-R210 IonicContact OE2-NE 3.33Å; E172-R210 IonicContact OE2-NH2 3.61Å; E172-R210 PolarHBondContact OE2-NH2 3.31Å
173V96.3Very high95.5Very high0 Ų060.7 Ų60.70%032%0.317CS..Hα-helixtrans-67.9-37.4178.9179.40000111.8L121 T154 Y158 R168 T169 K171 A175 V176 S177 I184L121-V173 HydrophobicContact CD1-CG2 4.45Å; T154-V173 HydrophobicContact CG2-CG1 3.28Å; Y158-V173 HydrophobicContact CD2-CG2 4.06Å; R168-V173 HydrophobicContact CB-CG2 3.81Å; T169-V173 PolarHBondContact O-N 2.63Å; T169-V173 VanDerWaalsContact O-N 3.16Å; K171-V173 VanDerWaalsContact C-N 3.35Å; K171-V173 PolarHBondContact O-N 2.78Å; V173-A175 PolarHBondContact O-N 2.91Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V173-V176 PolarHBondContact O-N 3.11Å; V173-S177 VanDerWaalsContact O-CB 3.25Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 3.2Å; V173-I184 HydrophobicContact CG1-CD1 4.38Å
174C95.8Very high95.6Very high43 Ų4357.6 Ų57.629%0.29130%0.303SS..Hα-helixtrans-68.6-22175-170.20000112.8F170 K171 E172 V176 V179 I184F170-C174 WeakPolarHBondContact O-CB 3.43Å; F170-C174 PolarHBondContact O-N 3.04Å; K171-C174 PolarHBondContact O-N 3.46Å; E172-C174 PolarHBondContact O-N 3.26Å; C174-V176 VanDerWaalsContact C-N 3.35Å; C174-V179 PolarHBondContact SG-O 3.47Å; C174-V179 VanDerWaalsContact SG-O 3.37Å; C174-I184 HydrophobicContact CB-CD1 4.26Å
175A95.4Very high95.6Very high86 Ų8654.3 Ų54.371%0.71129%0.293SS*.Hα-helixtrans-74.5-27.3177.800000112.5K171 E172 V173K171-A175 WeakPolarHBondContact O-CB 3.48Å; K171-A175 PolarHBondContact O-N 3.35Å; E172-A175 WeakPolarHBondContact O-CB 3.33Å; E172-A175 PolarHBondContact O-N 2.83Å; V173-A175 PolarHBondContact O-N 2.91Å
176V96.3Very high95.7Very high38 Ų3856.5 Ų56.523%0.2329%0.288CS..Hα-helixtrans-101.9-4.4179.1-58.50000113.4M117 H120 L121 V173 C174M117-V176 HydrophobicContact CB-CG2 4.04Å; M117-V176 HydrophobicContact CG-CG2 4.09Å; H120-V176 HydrophobicContact CB-CB 4.1Å; H120-V176 HydrophobicContact CB-CG1 3.59Å; L121-V176 HydrophobicContact CD1-CG2 3.8Å; L121-V176 HydrophobicContact CD2-CG1 3.75Å; L121-V176 HydrophobicContact CD2-CG2 4.21Å; L121-V176 HydrophobicContact CG-CB 4.45Å; L121-V176 HydrophobicContact CG-CG1 3.88Å; L121-V176 HydrophobicContact CG-CG2 3.84Å; V173-V176 WeakPolarHBondContact O-CG2 3.49Å; V173-V176 PolarHBondContact O-N 3.11Å; C174-V176 VanDerWaalsContact C-N 3.35Å
177S95.7Very high95.7Very high16 Ų1653.6 Ų53.611%0.11227%0.271CS..SBendtrans-117.9152.7-178.7176.80000111.2T154 V173 V179T154-S177 WeakPolarHBondContact CG2-OG 3.25Å; T154-S177 WeakPolarHBondContact OG1-CB 3.25Å; T154-S177 PolarHBondContact OG1-OG 3.41Å; V173-S177 VanDerWaalsContact O-CB 3.25Å; V173-S177 WeakPolarHBondContact O-CB 3.35Å; V173-S177 PolarHBondContact O-N 3.2Å; S177-V179 PolarHBondContact O-N 3.43Å; S177-V179 WeakPolarHBondContact OG-CB 3.49Å; S177-V179 WeakPolarHBondContact OG-CG2 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-V179 VanDerWaalsContact OG-N 3.14Å
178R93.9Very high95.7Very high202 Ų20254 Ų5476%0.76227%0.272SS*.SBendtrans-79-1.9172.7-61.5179.2-68.7-166.9-3113D150D150-R178 IonicContact OD1-NH2 3.26Å; D150-R178 IonicContact OD2-CZ 3.86Å; D150-R178 VanDerWaalsContact OD2-CZ 3.3Å; D150-R178 IonicContact OD2-NE 3.4Å; D150-R178 PolarHBondContact OD2-NE 2.72Å; D150-R178 IonicContact OD2-NH2 2.68Å; D150-R178 PolarHBondContact OD2-NH2 3.38Å
179V96Very high95.6Very high15 Ų1560.1 Ų60.19%0.09130%0.3CS..SBendtrans-96.6129.9-169.3-175.30000110.6D150 A151 C174 S177 E183 I184D150-V179 HydrophobicContact CB-CG2 3.84Å; A151-V179 HydrophobicContact CB-CG1 3.69Å; A151-V179 HydrophobicContact CB-CG2 4.06Å; C174-V179 PolarHBondContact SG-O 3.47Å; C174-V179 VanDerWaalsContact SG-O 3.37Å; S177-V179 PolarHBondContact O-N 3.43Å; S177-V179 WeakPolarHBondContact OG-CB 3.49Å; S177-V179 WeakPolarHBondContact OG-CG2 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-V179 VanDerWaalsContact OG-N 3.14Å; V179-E183 HydrophobicContact CG1-CB 3.84Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-I184 HydrophobicContact CB-CD1 4.47Å; V179-I184 HydrophobicContact CB-CG1 4.03Å; V179-I184 HydrophobicContact CG1-CG1 3.69Å; V179-I184 WeakPolarHBondContact O-CD1 3.47Å
180S96.4Very high95.6Very high68 Ų6863.6 Ų63.648%0.47631%0.313SS..  trans-62.2144.8177.774.30000112.6K182 E183 I184S180-K182 PolarHBondContact O-N 3.35Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 2.89Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å; S180-I184 PolarHBondContact O-N 2.69Å
181K95.8Very high95.7Very high112 Ų11261.2 Ų61.249%0.48730%0.303SS..Hα-helixtrans-46.4-40173.9174.3175178.2-173.90113.9F170 E183 G185F170-K181 HydrophobicContact CB-CD 4.15Å; F170-K181 HydrophobicContact CB-CG 3.97Å; F170-K181 HydrophobicContact CG-CG 4.47Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-G185 PolarHBondContact O-N 2.94Å; K181-G185 VanDerWaalsContact O-N 3.08Å
182K96.3Very high95.7Very high153 Ų15358.1 Ų58.167%0.66529%0.291SS*.Hα-helixtrans-64.2-40-180-175.6178.2-177.1178.10111.4S180 K186S180-K182 PolarHBondContact O-N 3.35Å; K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 3.28Å
183E96.2Very high95.6Very high44 Ų4465 Ų6521%0.20632%0.321CS..Hα-helixtrans-75.7-42.4-179.1-171.359-163.200111.3R147 A151 V179 S180 K181 G185 K186 V187R147-E183 WeakPolarHBondContact CD-OE1 3.44Å; R147-E183 IonicContact CZ-OE1 2.76Å; R147-E183 IonicContact NE-OE1 3.36Å; R147-E183 IonicContact NH1-OE1 2.8Å; R147-E183 PolarHBondContact NH1-OE1 2.71Å; R147-E183 IonicContact NH1-OE2 3.18Å; R147-E183 PolarHBondContact NH1-OE2 3.35Å; A151-E183 HydrophobicContact CB-CG 4.09Å; V179-E183 HydrophobicContact CG1-CB 3.84Å; V179-E183 HydrophobicContact CG1-CG 4Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 2.89Å; K181-E183 VanDerWaalsContact C-N 3.33Å; E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 3.46Å; E183-K186 PolarHBondContact O-N 3.04Å; E183-K186 VanDerWaalsContact O-N 3.11Å; E183-V187 HydrophobicContact CG-CG2 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.47Å; E183-V187 PolarHBondContact O-N 3.41Å
184I96.5Very high95.5Very high0 Ų066.7 Ų66.70%033%0.33CS..Hα-helixtrans-53.7-48.4173-57.2170.7000110.1T154 A155 F170 V173 C174 V179 S180 K186 V187 F188T154-I184 HydrophobicContact CG2-CD1 3.58Å; T154-I184 HydrophobicContact CG2-CG1 3.8Å; T154-I184 HydrophobicContact CG2-CG2 4.37Å; A155-I184 HydrophobicContact CB-CG2 4.49Å; F170-I184 HydrophobicContact CD1-CB 4.37Å; F170-I184 HydrophobicContact CD1-CG2 3.86Å; F170-I184 HydrophobicContact CE1-CG2 3.88Å; V173-I184 HydrophobicContact CG1-CD1 4.38Å; C174-I184 HydrophobicContact CB-CD1 4.26Å; V179-I184 HydrophobicContact CB-CD1 4.47Å; V179-I184 HydrophobicContact CB-CG1 4.03Å; V179-I184 HydrophobicContact CG1-CG1 3.69Å; V179-I184 WeakPolarHBondContact O-CD1 3.47Å; S180-I184 WeakPolarHBondContact O-CG1 3.41Å; S180-I184 PolarHBondContact O-N 2.69Å; I184-K186 PolarHBondContact O-N 3Å; I184-V187 PolarHBondContact O-N 3.15Å; I184-F188 WeakPolarHBondContact O-CB 3.21Å; I184-F188 PolarHBondContact O-N 2.8Å
185G95.3Very high95.4Very high19 Ų1966 Ų6620%0.19632%0.323CS..Hα-helixtrans-63.9-35.3179.800000114.2K181 E183 K189K181-G185 PolarHBondContact O-N 2.94Å; K181-G185 VanDerWaalsContact O-N 3.08Å; E183-G185 VanDerWaalsContact C-N 3.29Å; E183-G185 PolarHBondContact O-N 3.46Å; G185-K189 WeakPolarHBondContact O-CG 3.44Å; G185-K189 PolarHBondContact O-N 3.28Å
186K95.6Very high95.2Very high94 Ų9470.5 Ų70.541%0.40933%0.329SS..Hα-helixtrans-68.2-45.8175.1-76.2175.2179.4-179.40111.4K182 E183 I184 K190K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 3.28Å; E183-K186 PolarHBondContact O-N 3.04Å; E183-K186 VanDerWaalsContact O-N 3.11Å; I184-K186 PolarHBondContact O-N 3Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å; K186-K190 PolarHBondContact O-N 2.83Å
187V96.1Very high94.8Very high0 Ų070.8 Ų70.80%033%0.331CS..Hα-helixtrans-67.9-44.3-179.2177.50000110.4L144 A151 V152 A155 E183 I184 K189 K190 I191L144-V187 HydrophobicContact CD1-CG1 4.17Å; A151-V187 HydrophobicContact CB-CG2 4.1Å; V152-V187 HydrophobicContact CG2-CG1 4.11Å; A155-V187 HydrophobicContact CB-CB 4.07Å; A155-V187 HydrophobicContact CB-CG1 3.71Å; E183-V187 HydrophobicContact CG-CG2 4.44Å; E183-V187 WeakPolarHBondContact O-CG2 3.47Å; E183-V187 PolarHBondContact O-N 3.41Å; I184-V187 PolarHBondContact O-N 3.15Å; V187-K189 PolarHBondContact O-N 3.44Å; V187-K190 WeakPolarHBondContact O-CA 3.36Å; V187-K190 WeakPolarHBondContact O-CB 3.41Å; V187-K190 PolarHBondContact O-N 3.37Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.48Å; V187-I191 PolarHBondContact O-N 3.42Å
188F95.7Very high94.4Very high14 Ų1477.6 Ų77.66%0.06137%0.366CS..Hα-helixtrans-53.3-48.9174.8174.8-109.3000112.6A155 Y158 M159 I184 K190 I191 L192A155-F188 HydrophobicContact CB-CB 4.37Å; Y158-F188 AromaticContact CD1-CD2 3.56Å; Y158-F188 HydrophobicContact CD1-CD2 3.56Å; Y158-F188 AromaticContact CD1-CE2 3.74Å; Y158-F188 HydrophobicContact CD1-CE2 3.74Å; Y158-F188 AromaticContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CG 3.97Å; Y158-F188 HydrophobicContact CD1-CZ 4.3Å; Y158-F188 HydrophobicContact CE1-CD1 4.07Å; Y158-F188 AromaticContact CE1-CD2 3.84Å; Y158-F188 HydrophobicContact CE1-CD2 3.84Å; Y158-F188 AromaticContact CE1-CE1 3.98Å; Y158-F188 HydrophobicContact CE1-CE1 3.98Å; Y158-F188 AromaticContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CE2 3.75Å; Y158-F188 HydrophobicContact CE1-CG 4Å; Y158-F188 AromaticContact CE1-CZ 3.82Å; Y158-F188 HydrophobicContact CE1-CZ 3.82Å; M159-F188 HydrophobicContact CB-CD2 4.25Å; M159-F188 HydrophobicContact CB-CE2 4Å; M159-F188 HydrophobicContact CG-CE2 4.26Å; I184-F188 WeakPolarHBondContact O-CB 3.21Å; I184-F188 PolarHBondContact O-N 2.8Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 3.36Å; F188-I191 PolarHBondContact O-N 2.86Å; F188-L192 HydrophobicContact CD1-CD1 4.15Å; F188-L192 HydrophobicContact CE1-CD1 3.54Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CE2-CD1 4.26Å; F188-L192 HydrophobicContact CE2-CD2 4.21Å; F188-L192 HydrophobicContact CE2-CG 4.17Å; F188-L192 HydrophobicContact CZ-CD1 3.6Å; F188-L192 HydrophobicContact CZ-CD2 4.1Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CG 3.29Å; F188-L192 PolarHBondContact O-N 3.22Å
189K94.8Very high94.1Very high158 Ų15869.1 Ų69.169%0.68734%0.337SS*.Hα-helixtrans-60.4-34.8176.5-74.6-178.4-179.7-1720113G185 V187 K193G185-K189 WeakPolarHBondContact O-CG 3.44Å; G185-K189 PolarHBondContact O-N 3.28Å; V187-K189 PolarHBondContact O-N 3.44Å; K189-K193 PolarHBondContact O-N 2.91Å
190K95.2Very high93.8Very high86 Ų8676.7 Ų76.737%0.37437%0.371SS..Hα-helixtrans-72-42.5176.2-70.7-176.7171.5-160.90111.8L144 K186 V187 F188 L192 K193 I194L144-K190 HydrophobicContact CD2-CB 3.78Å; L144-K190 HydrophobicContact CD2-CD 3.82Å; L144-K190 HydrophobicContact CD2-CG 4.48Å; K186-K190 WeakPolarHBondContact O-CG 3.35Å; K186-K190 PolarHBondContact O-N 2.83Å; V187-K190 WeakPolarHBondContact O-CA 3.36Å; V187-K190 WeakPolarHBondContact O-CB 3.41Å; V187-K190 PolarHBondContact O-N 3.37Å; F188-K190 VanDerWaalsContact C-N 3.26Å; F188-K190 PolarHBondContact O-N 3.36Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.95Å; K190-K193 PolarHBondContact O-N 3.49Å; K190-K193 VanDerWaalsContact O-N 3.12Å; K190-I194 HydrophobicContact CB-CD1 4.49Å; K190-I194 WeakPolarHBondContact O-CD1 3.41Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.08Å
191I95.7Very high93.4Very high0 Ų078.3 Ų78.30%038%0.383CS..Hα-helixtrans-58.4-46.8177.4-68.6170.9000110.2V138 L144 V152 A155 M159 V187 F188 K193 I194 L195V138-I191 HydrophobicContact CG1-CG1 4.27Å; V138-I191 HydrophobicContact CG2-CB 4.49Å; V138-I191 HydrophobicContact CG2-CG1 4.14Å; V138-I191 HydrophobicContact CG2-CG2 3.79Å; L144-I191 HydrophobicContact CD1-CD1 4.41Å; L144-I191 HydrophobicContact CD1-CG1 3.78Å; V152-I191 HydrophobicContact CG1-CD1 4.44Å; A155-I191 HydrophobicContact CB-CD1 3.64Å; M159-I191 HydrophobicContact SD-CG2 3.55Å; M159-I191 VanDerWaalsContact SD-CG2 3.55Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.24Å; V187-I191 WeakPolarHBondContact O-CG1 3.48Å; V187-I191 PolarHBondContact O-N 3.42Å; F188-I191 PolarHBondContact O-N 2.86Å; I191-K193 PolarHBondContact O-N 2.88Å; I191-I194 PolarHBondContact O-N 3.27Å; I191-I194 VanDerWaalsContact O-N 3.07Å; I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.16Å; I191-L195 PolarHBondContact O-N 3.35Å
192L94.9Very high93.3Very high41 Ų4174.6 Ų74.622%0.21537%0.369CS..Hα-helixtrans-54.1-42.1175.3-70.3175.1000112.6M159 F188 K190 E196 T197 V199M159-L192 HydrophobicContact CE-CD2 4.1Å; M159-L192 HydrophobicContact SD-CD2 4.14Å; F188-L192 HydrophobicContact CD1-CD1 4.15Å; F188-L192 HydrophobicContact CE1-CD1 3.54Å; F188-L192 HydrophobicContact CE1-CG 4.3Å; F188-L192 HydrophobicContact CE2-CD1 4.26Å; F188-L192 HydrophobicContact CE2-CD2 4.21Å; F188-L192 HydrophobicContact CE2-CG 4.17Å; F188-L192 HydrophobicContact CZ-CD1 3.6Å; F188-L192 HydrophobicContact CZ-CD2 4.1Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CG 3.29Å; F188-L192 PolarHBondContact O-N 3.22Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.95Å; L192-E196 PolarHBondContact O-N 3.49Å; L192-E196 VanDerWaalsContact O-N 3.17Å; L192-T197 WeakPolarHBondContact CD2-O 3.36Å; L192-T197 PolarHBondContact O-N 3.34Å; L192-V199 HydrophobicContact CD2-CB 4.37Å; L192-V199 HydrophobicContact CD2-CG2 3.53Å
193K94.2Very high93.2Very high177 Ų17770.4 Ų70.477%0.7736%0.356SS*.Hα-helixtrans-70.2-36.9178.1-171.8178.2179.8-179.70112.5K189 K190 I191K189-K193 PolarHBondContact O-N 2.91Å; K190-K193 PolarHBondContact O-N 3.49Å; K190-K193 VanDerWaalsContact O-N 3.12Å; I191-K193 PolarHBondContact O-N 2.88Å
194I93.3Very high93.1Very high35 Ų3568.6 Ų68.618%0.17935%0.348CS..Hα-helixtrans-72.9-43.7-177.8-70162.3000111.1T141 N143 L144 K190 I191 E196T141-I194 HydrophobicContact CG2-CG2 3.79Å; T141-I194 WeakPolarHBondContact OG1-CG2 3.49Å; N143-I194 HydrophobicContact CB-CD1 3.56Å; N143-I194 HydrophobicContact CB-CG1 3.81Å; N143-I194 HydrophobicContact CB-CG2 4.39Å; L144-I194 HydrophobicContact CD1-CD1 4.26Å; L144-I194 HydrophobicContact CD2-CD1 3.49Å; L144-I194 VanDerWaalsContact CD2-CD1 3.49Å; L144-I194 HydrophobicContact CG-CD1 3.57Å; K190-I194 HydrophobicContact CB-CD1 4.49Å; K190-I194 WeakPolarHBondContact O-CD1 3.41Å; K190-I194 VanDerWaalsContact O-CG1 3.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.46Å; K190-I194 PolarHBondContact O-N 3.08Å; I191-I194 PolarHBondContact O-N 3.27Å; I191-I194 VanDerWaalsContact O-N 3.07Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.92Å
195L93.4Very high93Very high29 Ų2972.5 Ų72.515%0.15237%0.367CS..THydrogen-bonded Turntrans-85.71.3-179.2-60.5-177.3000112.9L134 Q137 V138 M159 I191 T197L134-L195 HydrophobicContact CD2-CD1 3.76Å; Q137-L195 HydrophobicContact CB-CD2 3.9Å; V138-L195 HydrophobicContact CG2-CD1 3.86Å; V138-L195 HydrophobicContact CG2-CD2 3.95Å; V138-L195 HydrophobicContact CG2-CG 3.95Å; M159-L195 HydrophobicContact CE-CD1 4.12Å; I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.16Å; I191-L195 PolarHBondContact O-N 3.35Å; L195-T197 PolarHBondContact O-N 3.08Å; L195-T197 PolarHBondContact O-OG1 2.98Å
196E92Very high92.9Very high180 Ų18074.2 Ų74.284%0.84137%0.371SS*.THydrogen-bonded Turntrans46.934.4-177.6-58.7-174.1163.500113.2L192 I194L192-E196 PolarHBondContact O-N 3.49Å; L192-E196 VanDerWaalsContact O-N 3.17Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.92Å
197T89.1Confident92.9Very high43 Ų4370 Ų7026%0.26435%0.353SS..  trans-109.5141.3-171.1-62.50000110.1M159 L192 L195M159-T197 HydrophobicContact CE-CG2 3.79Å; L192-T197 WeakPolarHBondContact CD2-O 3.36Å; L192-T197 PolarHBondContact O-N 3.34Å; L195-T197 PolarHBondContact O-N 3.08Å; L195-T197 PolarHBondContact O-OG1 2.98Å
198N86Confident92.9Very high159 Ų15970 Ų7085%0.8535%0.353SS*.  trans-102.2145.3172.4-67.7-50000110.7
199V88.7Confident92.9Very high24 Ų2472.9 Ų72.915%0.14538%0.375CS..  trans-123.4128.1178.2-177.90000108.5M159 R162 Q163 L192M159-V199 HydrophobicContact CE-CG2 4.22Å; M159-V199 HydrophobicContact CG-CG2 4.28Å; R162-V199 HydrophobicContact CB-CG1 3.25Å; R162-V199 HydrophobicContact CG-CG1 4.15Å; Q163-V199 HydrophobicContact CG-CG2 4.24Å; L192-V199 HydrophobicContact CD2-CB 4.37Å; L192-V199 HydrophobicContact CD2-CG2 3.53Å
200Q88.8Confident93Very high174 Ų17467.2 Ų67.281%0.81335%0.349SS*.PPolyproline II helixtrans-56.5139.7-177.8-66.3-177.12.600111.8R162R162-Q200 PolarHBondContact NH2-O 2.9Å
201S88.9Confident93.1Very high103 Ų10363.2 Ų63.272%0.7233%0.332SS*.PPolyproline II helixtrans-52.7136.5174.5-53.10000111
202V93Very high93.1Very high34 Ų3463.2 Ų63.221%0.20633%0.332CS..PPolyproline II helixtrans-74.4132.4177.6-177.70000109.7P167 D206 F207P167-V202 HydrophobicContact CB-CG1 4.08Å; P167-V202 HydrophobicContact CB-CG2 3.87Å; P167-V202 HydrophobicContact CG-CG1 3.74Å; P167-V202 HydrophobicContact CG-CG2 4.24Å; V202-D206 HydrophobicContact CG1-CB 4.4Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.38Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CE1 4.34Å; V202-F207 HydrophobicContact CG1-CE2 3.31Å; V202-F207 HydrophobicContact CG1-CZ 3.33Å
203T93.3Very high93.2Very high64 Ų6463.2 Ų63.239%0.39334%0.341SS..PPolyproline II helixtrans-98.3169.2177.479.70000111.1E205 D206 F207T203-E205 VanDerWaalsContact C-N 3.29Å; T203-E205 PolarHBondContact OG1-N 2.78Å; T203-D206 PolarHBondContact N-OD2 3.44Å; T203-D206 PolarHBondContact OG1-N 3.33Å; T203-D206 PolarHBondContact OG1-OD1 3.35Å; T203-D206 PolarHBondContact OG1-OD2 3.3Å; T203-F207 WeakPolarHBondContact O-CD2 3.44Å
204V94.4Very high93.2Very high7 Ų759.5 Ų59.54%0.04233%0.33CS..SBendtrans-70.1-32.8175174.20000111.1D206 F207 M208 A229 L233 P243 V246 A247V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 2.96Å; V204-F207 PolarHBondContact O-N 2.99Å; V204-M208 HydrophobicContact CG1-CE 3.43Å; V204-M208 VanDerWaalsContact CG1-CE 3.43Å; V204-M208 WeakPolarHBondContact O-CG 3.45Å; V204-A229 HydrophobicContact CB-CB 4.36Å; V204-A229 HydrophobicContact CG1-CB 3.48Å; V204-A229 VanDerWaalsContact CG1-CB 3.48Å; V204-L233 HydrophobicContact CB-CD1 4.47Å; V204-L233 HydrophobicContact CG2-CD1 3.81Å; V204-P243 HydrophobicContact CG2-CB 3.95Å; V204-V246 HydrophobicContact CG2-CB 4Å; V204-V246 HydrophobicContact CG2-CG1 3.99Å; V204-A247 HydrophobicContact CG1-CB 3.75Å
205E94.2Very high93.4Very high82 Ų8257.9 Ų57.938%0.38332%0.322SS..Hα-helixtrans-65.9-33.7-174.7-54.9-175.5-175.500111.4T203 F207 M208 R230T203-E205 VanDerWaalsContact C-N 3.29Å; T203-E205 PolarHBondContact OG1-N 2.78Å; E205-F207 PolarHBondContact O-N 2.97Å; E205-M208 PolarHBondContact O-N 3.46Å; E205-M208 VanDerWaalsContact O-N 3.1Å; E205-R230 IonicContact OE1-CZ 3.3Å; E205-R230 IonicContact OE1-NE 3.88Å; E205-R230 PolarHBondContact OE1-NE 2.96Å; E205-R230 IonicContact OE1-NH2 3.3Å; E205-R230 PolarHBondContact OE1-NH2 3.03Å; E205-R230 IonicContact OE2-NH2 2.68Å; E205-R230 PolarHBondContact OE2-NH2 3.03Å
206D94.7Very high93.5Very high54 Ų5463.4 Ų63.429%0.28935%0.352SS..Hα-helixtrans-56.5-24.6178.9-56.1-18.6000113.5P167 V202 T203 V204P167-D206 HydrophobicContact CG-CB 3.41Å; P167-D206 VanDerWaalsContact CG-CB 3.41Å; P167-D206 WeakPolarHBondContact CG-OD2 3.4Å; V202-D206 HydrophobicContact CG1-CB 4.4Å; V202-D206 WeakPolarHBondContact CG1-OD2 3.38Å; T203-D206 PolarHBondContact N-OD2 3.44Å; T203-D206 PolarHBondContact OG1-N 3.33Å; T203-D206 PolarHBondContact OG1-OD1 3.35Å; T203-D206 PolarHBondContact OG1-OD2 3.3Å; V204-D206 VanDerWaalsContact C-N 3.28Å; V204-D206 PolarHBondContact O-N 2.96Å
207F95.6Very high93.7Very high6 Ų655.7 Ų55.73%0.02632%0.316CS..Hα-helixtrans-100-21-177.8-59.1-65000113.9T169 V202 T203 V204 E205 S209 R210 F211 P243 V244 A247T169-F207 HydrophobicContact CG2-CD1 4.16Å; T169-F207 HydrophobicContact CG2-CE1 3.52Å; T169-F207 HydrophobicContact CG2-CZ 3.97Å; V202-F207 HydrophobicContact CG1-CD2 4.33Å; V202-F207 HydrophobicContact CG1-CE1 4.34Å; V202-F207 HydrophobicContact CG1-CE2 3.31Å; V202-F207 HydrophobicContact CG1-CZ 3.33Å; T203-F207 WeakPolarHBondContact O-CD2 3.44Å; V204-F207 PolarHBondContact O-N 2.99Å; E205-F207 PolarHBondContact O-N 2.97Å; F207-S209 PolarHBondContact O-N 2.91Å; F207-R210 PolarHBondContact O-N 3.07Å; F207-F211 HydrophobicContact CB-CD2 3.76Å; F207-F211 HydrophobicContact CB-CE1 4.45Å; F207-F211 HydrophobicContact CB-CE2 3.5Å; F207-F211 VanDerWaalsContact CB-CE2 3.5Å; F207-F211 HydrophobicContact CB-CG 4.36Å; F207-F211 HydrophobicContact CB-CZ 3.86Å; F207-F211 HydrophobicContact CD1-CE1 4.46Å; F207-F211 HydrophobicContact CD1-CE2 4.32Å; F207-F211 AromaticContact CD1-CZ 3.89Å; F207-F211 HydrophobicContact CD1-CZ 3.89Å; F207-F211 AromaticContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CZ 4.04Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 WeakPolarHBondContact O-CG 3.48Å; F207-F211 PolarHBondContact O-N 3.12Å; F207-P243 HydrophobicContact CE2-CB 4.3Å; F207-V244 HydrophobicContact CD2-CG2 4.4Å; F207-V244 HydrophobicContact CE1-CG2 4.44Å; F207-V244 HydrophobicContact CE2-CG2 3.78Å; F207-V244 HydrophobicContact CZ-CG2 3.78Å; F207-A247 HydrophobicContact CB-CB 4.38Å
208M96Very high93.9Very high0 Ų056.1 Ų56.10%032%0.317CS..Hα-helixtrans-62.5-45.6-165.9-76.9-77.3-174.800112.7V204 E205 C212 Q222 A225 N226 A229 A247 A250 I251V204-M208 HydrophobicContact CG1-CE 3.43Å; V204-M208 VanDerWaalsContact CG1-CE 3.43Å; V204-M208 WeakPolarHBondContact O-CG 3.45Å; E205-M208 PolarHBondContact O-N 3.46Å; E205-M208 VanDerWaalsContact O-N 3.1Å; M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.11Å; M208-C212 PolarHBondContact O-SG 2.94Å; M208-Q222 HydrophobicContact CB-CG 4.47Å; M208-A225 HydrophobicContact CE-CB 4.24Å; M208-A225 WeakPolarHBondContact CE-O 3.33Å; M208-A225 HydrophobicContact SD-CB 3.79Å; M208-N226 WeakPolarHBondContact CB-ND2 3.33Å; M208-N226 WeakPolarHBondContact CB-OD1 3.39Å; M208-N226 VanDerWaalsContact CG-OD1 3.25Å; M208-N226 WeakPolarHBondContact CG-OD1 3.44Å; M208-A229 HydrophobicContact CE-CB 3.56Å; M208-A247 HydrophobicContact CE-CB 4.15Å; M208-A250 HydrophobicContact CE-CB 4.02Å; M208-I251 HydrophobicContact CE-CG1 4.49Å; M208-I251 HydrophobicContact SD-CD1 3.96Å; M208-I251 HydrophobicContact SD-CG1 3.7Å
209S95.8Very high94.3Very high74 Ų7454 Ų5452%0.51730%0.304SS..Hα-helixtrans-62.1-45.8178.9179.50000111.7F207 G213F207-S209 PolarHBondContact O-N 2.91Å; S209-G213 PolarHBondContact O-N 3.18Å
210R95.5Very high94.6Very high39 Ų3955.1 Ų55.115%0.14732%0.316CS..Hα-helixtrans-66.8-46.9-178.7-174.4166.871.1-120.48.1112.1P167 R168 E172 F207 G213 N214P167-R210 PolarHBondContact O-NH1 2.9Å; P167-R210 PolarHBondContact O-NH2 2.74Å; R168-R210 VanDerWaalsContact CD-CZ 3.48Å; E172-R210 VanDerWaalsContact CD-NH2 3.3Å; E172-R210 IonicContact OE1-CZ 2.59Å; E172-R210 IonicContact OE1-NE 3.9Å; E172-R210 PolarHBondContact OE1-NE 3.04Å; E172-R210 IonicContact OE1-NH2 2.64Å; E172-R210 PolarHBondContact OE1-NH2 3.39Å; E172-R210 IonicContact OE2-CZ 2.73Å; E172-R210 IonicContact OE2-NE 3.33Å; E172-R210 IonicContact OE2-NH2 3.61Å; E172-R210 PolarHBondContact OE2-NH2 3.31Å; F207-R210 PolarHBondContact O-N 3.07Å; R210-G213 PolarHBondContact O-N 3.25Å; R210-N214 WeakPolarHBondContact O-CB 3.26Å; R210-N214 PolarHBondContact O-N 3.26Å; R210-N214 PolarHBondContact O-OD1 3.17Å
211F97.1Very high94.9Very high2 Ų246.9 Ų46.91%0.00928%0.277CS..Hα-helixtrans-68.3-42.5-179.3-65.7-12000111.8T169 F207 N214 L215 V244 A247 I251 V270 A271T169-F211 HydrophobicContact CG2-CZ 4.34Å; F207-F211 HydrophobicContact CB-CD2 3.76Å; F207-F211 HydrophobicContact CB-CE1 4.45Å; F207-F211 HydrophobicContact CB-CE2 3.5Å; F207-F211 VanDerWaalsContact CB-CE2 3.5Å; F207-F211 HydrophobicContact CB-CG 4.36Å; F207-F211 HydrophobicContact CB-CZ 3.86Å; F207-F211 HydrophobicContact CD1-CE1 4.46Å; F207-F211 HydrophobicContact CD1-CE2 4.32Å; F207-F211 AromaticContact CD1-CZ 3.89Å; F207-F211 HydrophobicContact CD1-CZ 3.89Å; F207-F211 AromaticContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CE2 3.98Å; F207-F211 HydrophobicContact CG-CZ 4.04Å; F207-F211 WeakPolarHBondContact O-CB 3.49Å; F207-F211 WeakPolarHBondContact O-CG 3.48Å; F207-F211 PolarHBondContact O-N 3.12Å; F211-N214 PolarHBondContact O-N 2.92Å; F211-L215 WeakPolarHBondContact O-CB 3.46Å; F211-L215 WeakPolarHBondContact O-CD1 3.39Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.47Å; F211-L215 PolarHBondContact O-N 2.87Å; F211-L215 VanDerWaalsContact O-N 3.07Å; F211-V244 HydrophobicContact CE2-CG1 4.05Å; F211-V244 HydrophobicContact CZ-CG1 4.09Å; F211-A247 HydrophobicContact CD2-CB 4.26Å; F211-A247 HydrophobicContact CE2-CB 4.27Å; F211-I251 HydrophobicContact CB-CD1 3.51Å; F211-I251 HydrophobicContact CD2-CD1 4.13Å; F211-I251 HydrophobicContact CG-CD1 4.36Å; F211-V270 HydrophobicContact CB-CG1 4.27Å; F211-V270 HydrophobicContact CD1-CG1 3.95Å; F211-V270 HydrophobicContact CG-CG1 4.35Å; F211-A271 HydrophobicContact CD2-CB 4.13Å; F211-A271 HydrophobicContact CE2-CB 3.77Å; F211-A271 HydrophobicContact CZ-CB 4.04Å
212C97.2Very high95.2Very high0 Ų044.2 Ų44.20%025%0.254CS..Hα-helixtrans-64.6-41.2176.1-65.80000111.8M208 L215 N216 L217 Q222M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.11Å; M208-C212 PolarHBondContact O-SG 2.94Å; C212-L215 CarbonylContact O-C 3.05Å; C212-L215 PolarHBondContact O-N 2.93Å; C212-N216 PolarHBondContact O-N 3.41Å; C212-L217 HydrophobicContact CB-CB 4.17Å; C212-L217 PolarHBondContact O-N 3.22Å; C212-Q222 HydrophobicContact CB-CB 3.97Å; C212-Q222 HydrophobicContact CB-CG 4.2Å
213G96.1Very high95.4Very high41 Ų4151.2 Ų51.242%0.42328%0.276SS..Hα-helixtrans-59.9-49175.200000112.4S209 R210 L215 N216S209-G213 PolarHBondContact O-N 3.18Å; R210-G213 PolarHBondContact O-N 3.25Å; G213-L215 PolarHBondContact O-N 3.36Å; G213-N216 PolarHBondContact O-N 3.04Å
214N95Very high95.5Very high99 Ų9948.3 Ų48.353%0.52926%0.259SS..Hα-helixtrans-65.5-24.9178.2-72.75.6000113.4R210 F211 N216 V270R210-N214 WeakPolarHBondContact O-CB 3.26Å; R210-N214 PolarHBondContact O-N 3.26Å; R210-N214 PolarHBondContact O-OD1 3.17Å; F211-N214 PolarHBondContact O-N 2.92Å; N214-N216 VanDerWaalsContact C-N 3.33Å; N214-V270 HydrophobicContact CB-CG1 3.64Å; N214-V270 HydrophobicContact CB-CG2 4.22Å
215L96.5Very high95.6Very high1 Ų148 Ų481%0.00526%0.257CS..THydrogen-bonded Turntrans-87.30.4174.7-69.9165.9000113.2F211 C212 G213 L217 I251 K262 E266 I267 V270F211-L215 WeakPolarHBondContact O-CB 3.46Å; F211-L215 WeakPolarHBondContact O-CD1 3.39Å; F211-L215 VanDerWaalsContact O-CG 3.27Å; F211-L215 WeakPolarHBondContact O-CG 3.47Å; F211-L215 PolarHBondContact O-N 2.87Å; F211-L215 VanDerWaalsContact O-N 3.07Å; C212-L215 CarbonylContact O-C 3.05Å; C212-L215 PolarHBondContact O-N 2.93Å; G213-L215 PolarHBondContact O-N 3.36Å; L215-L217 HydrophobicContact CB-CD1 3.82Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 3.96Å; L215-L217 PolarHBondContact O-N 3.42Å; L215-I251 HydrophobicContact CD1-CG2 3.77Å; L215-K262 WeakPolarHBondContact O-CE 3.43Å; L215-K262 PolarHBondContact O-NZ 3.07Å; L215-E266 HydrophobicContact CD2-CG 3.92Å; L215-I267 HydrophobicContact CD1-CG1 3.95Å; L215-I267 HydrophobicContact CD1-CG2 4.5Å; L215-I267 HydrophobicContact CD2-CG1 4.22Å; L215-V270 HydrophobicContact CD2-CB 4.39Å; L215-V270 HydrophobicContact CD2-CG2 3.82Å; L215-V270 HydrophobicContact CG-CB 4.42Å; L215-V270 HydrophobicContact CG-CG1 4.45Å; L215-V270 HydrophobicContact CG-CG2 4.11Å
216N95.9Very high95.7Very high146 Ų14645.5 Ų45.578%0.78125%0.246SC*.THydrogen-bonded Turntrans54.437-173.1-59.4-57.6000113C212 G213 N214C212-N216 PolarHBondContact O-N 3.41Å; G213-N216 PolarHBondContact O-N 3.04Å; N214-N216 VanDerWaalsContact C-N 3.33Å
217L95.6Very high95.8Very high17 Ų1745 Ų459%0.08925%0.245CC..  trans-86.3143.9176.8-65172.1000110.3C212 L215 V221 I251 A255 K262C212-L217 HydrophobicContact CB-CB 4.17Å; C212-L217 PolarHBondContact O-N 3.22Å; L215-L217 HydrophobicContact CB-CD1 3.82Å; L215-L217 HydrophobicContact CB-CG 3.78Å; L215-L217 HydrophobicContact CD1-CD1 3.96Å; L215-L217 PolarHBondContact O-N 3.42Å; L217-V221 HydrophobicContact CB-CB 4.24Å; L217-V221 HydrophobicContact CB-CG1 4.17Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; L217-V221 HydrophobicContact CD2-CG1 4.33Å; L217-V221 HydrophobicContact CG-CG1 4.37Å; L217-I251 HydrophobicContact CD1-CG2 3.54Å; L217-A255 HydrophobicContact CD1-CB 4.26Å; L217-A255 HydrophobicContact CD2-CB 4.14Å; L217-K262 HydrophobicContact CD2-CG 4.04Å
218N93.5Very high95.8Very high53 Ų5344.8 Ų44.828%0.28324%0.244SC..  trans-70.3163.9179.372.98.9000111.8A220 V221 Q222 Y260N218-A220 PolarHBondContact O-N 3.01Å; N218-A220 PolarHBondContact OD1-N 3.44Å; N218-V221 PolarHBondContact O-N 3.39Å; N218-V221 WeakPolarHBondContact OD1-CB 3.39Å; N218-V221 WeakPolarHBondContact OD1-CG2 3.32Å; N218-V221 PolarHBondContact OD1-N 3.27Å; N218-Q222 PolarHBondContact O-N 3.49Å; N218-Y260 WeakPolarHBondContact ND2-CE2 3.38Å; N218-Y260 PolarHBondContact ND2-OH 3.36Å
219I94.9Very high95.8Very high114 Ų11444.9 Ų44.959%0.58525%0.245SC*.Hα-helixtrans-61.2-29.3179.6-62.7168.9000111.4Q222 R223I219-Q222 PolarHBondContact O-N 2.96Å; I219-R223 HydrophobicContact CG2-CG 4.34Å; I219-R223 WeakPolarHBondContact O-CG 3.19Å; I219-R223 PolarHBondContact O-N 3.02Å
220A94.2Very high95.8Very high48 Ų4847.2 Ų47.240%0.39724%0.242SC..Hα-helixtrans-63.8-45.8177.100000111.8N218 Q222 R223 V224N218-A220 PolarHBondContact O-N 3.01Å; N218-A220 PolarHBondContact OD1-N 3.44Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.37Å; A220-R223 PolarHBondContact O-N 3.36Å; A220-V224 WeakPolarHBondContact O-CG2 3.43Å; A220-V224 PolarHBondContact O-N 3.12Å
221V95.6Very high95.8Very high0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-62-43.31751750000110.5L217 N218 R223 V224 A225 A254 A255 L258 Y260L217-V221 HydrophobicContact CB-CB 4.24Å; L217-V221 HydrophobicContact CB-CG1 4.17Å; L217-V221 HydrophobicContact CD1-CG1 3.91Å; L217-V221 HydrophobicContact CD2-CG1 4.33Å; L217-V221 HydrophobicContact CG-CG1 4.37Å; N218-V221 PolarHBondContact O-N 3.39Å; N218-V221 WeakPolarHBondContact OD1-CB 3.39Å; N218-V221 WeakPolarHBondContact OD1-CG2 3.32Å; N218-V221 PolarHBondContact OD1-N 3.27Å; V221-R223 PolarHBondContact O-N 3.08Å; V221-V224 PolarHBondContact O-N 3.18Å; V221-A225 VanDerWaalsContact O-CB 3.23Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 3.12Å; V221-A254 HydrophobicContact CG1-CB 4.24Å; V221-A255 HydrophobicContact CG1-CB 3.99Å; V221-L258 HydrophobicContact CB-CD1 4.07Å; V221-L258 HydrophobicContact CG2-CB 4.04Å; V221-L258 HydrophobicContact CG2-CD1 3.49Å; V221-L258 VanDerWaalsContact CG2-CD1 3.49Å; V221-L258 HydrophobicContact CG2-CG 4.43Å; V221-Y260 HydrophobicContact CG2-CD2 3.51Å; V221-Y260 HydrophobicContact CG2-CE2 4.22Å; V221-Y260 HydrophobicContact CG2-CG 4.06Å
222Q96.3Very high95.8Very high48 Ų4849 Ų4922%0.22425%0.249CC..Hα-helixtrans-59.5-44.2175.9-178.2-173.5-29.400112.1M208 C212 N218 I219 A220 A225 N226M208-Q222 HydrophobicContact CB-CG 4.47Å; C212-Q222 HydrophobicContact CB-CB 3.97Å; C212-Q222 HydrophobicContact CB-CG 4.2Å; N218-Q222 PolarHBondContact O-N 3.49Å; I219-Q222 PolarHBondContact O-N 2.96Å; A220-Q222 VanDerWaalsContact C-N 3.34Å; A220-Q222 PolarHBondContact O-N 3.37Å; Q222-A225 PolarHBondContact O-N 2.82Å; Q222-N226 PolarHBondContact O-N 3.3Å; Q222-N226 PolarHBondContact O-ND2 2.91Å
223R95.9Very high95.6Very high180 Ų18052.6 Ų52.668%0.67927%0.268SS*.Hα-helixtrans-63.1-47.4178.3-75.4178-179.7-171.31111.4I219 A220 V221 N226 V227I219-R223 HydrophobicContact CG2-CG 4.34Å; I219-R223 WeakPolarHBondContact O-CG 3.19Å; I219-R223 PolarHBondContact O-N 3.02Å; A220-R223 PolarHBondContact O-N 3.36Å; V221-R223 PolarHBondContact O-N 3.08Å; R223-N226 PolarHBondContact O-N 3.32Å; R223-V227 WeakPolarHBondContact O-CG2 3.29Å; R223-V227 PolarHBondContact O-N 2.93Å; R223-V227 VanDerWaalsContact O-N 3.15Å
224V95.8Very high95.5Very high4 Ų456.4 Ų56.42%0.02428%0.278CS..Hα-helixtrans-62.8-44.5177.6175.30000111.1A220 V221 N226 V227 V228 A254 L258 F293 P294 V297A220-V224 WeakPolarHBondContact O-CG2 3.43Å; A220-V224 PolarHBondContact O-N 3.12Å; V221-V224 PolarHBondContact O-N 3.18Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 2.84Å; V224-V227 PolarHBondContact O-N 3.18Å; V224-V227 VanDerWaalsContact O-N 3.15Å; V224-V228 HydrophobicContact CG1-CG2 4.07Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.29Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.5Å; V224-A254 HydrophobicContact CB-CB 4.13Å; V224-A254 HydrophobicContact CG1-CB 3.77Å; V224-L258 HydrophobicContact CB-CD1 4.18Å; V224-L258 HydrophobicContact CG2-CD1 3.98Å; V224-F293 HydrophobicContact CG1-CD1 3.66Å; V224-F293 HydrophobicContact CG1-CE1 3.87Å; V224-P294 HydrophobicContact CG1-CG 4.41Å; V224-P294 HydrophobicContact CG2-CG 4.05Å; V224-V297 HydrophobicContact CG2-CB 4.38Å; V224-V297 HydrophobicContact CG2-CG1 3.94Å; V224-V297 HydrophobicContact CG2-CG2 3.97Å
225A96.8Very high95.5Very high0 Ų054.3 Ų54.30%027%0.267CS..Hα-helixtrans-59.9-39.817800000112.5M208 V221 Q222 A229 I251 A254M208-A225 HydrophobicContact CE-CB 4.24Å; M208-A225 WeakPolarHBondContact CE-O 3.33Å; M208-A225 HydrophobicContact SD-CB 3.79Å; V221-A225 VanDerWaalsContact O-CB 3.23Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 3.12Å; Q222-A225 PolarHBondContact O-N 2.82Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.38Å; A225-I251 HydrophobicContact CB-CG1 4.01Å; A225-A254 HydrophobicContact CB-CB 3.81Å
226N96.2Very high95.4Very high29 Ų2960.2 Ų60.216%0.15530%0.299CS..Hα-helixtrans-60.7-47.7173.6-85.6-69000111.9M208 Q222 R223 V224 A229 R230M208-N226 WeakPolarHBondContact CB-ND2 3.33Å; M208-N226 WeakPolarHBondContact CB-OD1 3.39Å; M208-N226 VanDerWaalsContact CG-OD1 3.25Å; M208-N226 WeakPolarHBondContact CG-OD1 3.44Å; Q222-N226 PolarHBondContact O-N 3.3Å; Q222-N226 PolarHBondContact O-ND2 2.91Å; R223-N226 PolarHBondContact O-N 3.32Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 2.84Å; N226-A229 PolarHBondContact O-N 3.07Å; N226-R230 WeakPolarHBondContact O-CB 3.41Å; N226-R230 PolarHBondContact O-N 3.14Å
227V96Very high95.2Very high45 Ų4555 Ų5527%0.27327%0.271SS..Hα-helixtrans-63.2-46.9179175.80000110.9R223 V224 A229 R230 R231 P294R223-V227 WeakPolarHBondContact O-CG2 3.29Å; R223-V227 PolarHBondContact O-N 2.93Å; R223-V227 VanDerWaalsContact O-N 3.15Å; V224-V227 PolarHBondContact O-N 3.18Å; V224-V227 VanDerWaalsContact O-N 3.15Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.3Å; V227-R230 PolarHBondContact O-N 2.74Å; V227-R231 HydrophobicContact CG1-CG 4.27Å; V227-R231 WeakPolarHBondContact O-CB 3.11Å; V227-R231 WeakPolarHBondContact O-CG 3.36Å; V227-R231 PolarHBondContact O-N 3.2Å; V227-P294 HydrophobicContact CG1-CB 4.31Å; V227-P294 HydrophobicContact CG1-CG 4.47Å
228V96.2Very high95.1Very high0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-57.1-48177.6167.60000110.6V224 R231 A232 A250 M253 L292 F293V224-V228 HydrophobicContact CG1-CG2 4.07Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.29Å; V224-V228 WeakPolarHBondContact O-CG2 3.49Å; V224-V228 PolarHBondContact O-N 3.5Å; V228-R231 PolarHBondContact O-N 3.22Å; V228-A232 VanDerWaalsContact O-CB 3.3Å; V228-A232 WeakPolarHBondContact O-CB 3.43Å; V228-A232 PolarHBondContact O-N 3.38Å; V228-A250 HydrophobicContact CB-CB 4.42Å; V228-A250 HydrophobicContact CG1-CB 3.97Å; V228-M253 HydrophobicContact CG1-CG 4.42Å; V228-M253 HydrophobicContact CG1-SD 3.78Å; V228-L292 HydrophobicContact CG1-CB 4.17Å; V228-L292 HydrophobicContact CG1-CD1 4.31Å; V228-L292 HydrophobicContact CG2-CB 4.32Å; V228-L292 WeakPolarHBondContact CG2-O 3.23Å; V228-F293 HydrophobicContact CG2-CD1 3.93Å; V228-F293 HydrophobicContact CG2-CE1 4.01Å; V228-F293 HydrophobicContact CG2-CG 4.45Å
229A96.5Very high94.9Very high2 Ų255.3 Ų55.32%0.01728%0.282CS..Hα-helixtrans-62.4-45.5177.800000112.6V204 M208 A225 N226 V227 A232 L233 V246 A250V204-A229 HydrophobicContact CB-CB 4.36Å; V204-A229 HydrophobicContact CG1-CB 3.48Å; V204-A229 VanDerWaalsContact CG1-CB 3.48Å; M208-A229 HydrophobicContact CE-CB 3.56Å; A225-A229 VanDerWaalsContact O-CB 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.49Å; A225-A229 PolarHBondContact O-N 3.38Å; N226-A229 PolarHBondContact O-N 3.07Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 3.3Å; A229-A232 PolarHBondContact O-N 2.77Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.24Å; A229-V246 HydrophobicContact CB-CG1 4.31Å; A229-A250 HydrophobicContact CB-CB 3.76Å
230R95.4Very high94.7Very high123 Ų12354.2 Ų54.246%0.46430%0.299SS..Hα-helixtrans-63.1-44.2179.7-169.9-177-66.7174.5-2.9111.2E205 N226 V227 L233 N234E205-R230 IonicContact OE1-CZ 3.3Å; E205-R230 IonicContact OE1-NE 3.88Å; E205-R230 PolarHBondContact OE1-NE 2.96Å; E205-R230 IonicContact OE1-NH2 3.3Å; E205-R230 PolarHBondContact OE1-NH2 3.03Å; E205-R230 IonicContact OE2-NH2 2.68Å; E205-R230 PolarHBondContact OE2-NH2 3.03Å; N226-R230 WeakPolarHBondContact O-CB 3.41Å; N226-R230 PolarHBondContact O-N 3.14Å; V227-R230 PolarHBondContact O-N 2.74Å; R230-L233 PolarHBondContact O-N 2.91Å; R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.25Å
231R95.7Very high94.7Very high79 Ų7957.3 Ų57.330%0.29830%0.3SS..Hα-helixtrans-66-40.5176.1-70.5-170.6-175-179.34.5112V227 V228 L233 N234 L235 E291 L292 F293V227-R231 HydrophobicContact CG1-CG 4.27Å; V227-R231 WeakPolarHBondContact O-CB 3.11Å; V227-R231 WeakPolarHBondContact O-CG 3.36Å; V227-R231 PolarHBondContact O-N 3.2Å; V228-R231 PolarHBondContact O-N 3.22Å; R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 3.22Å; R231-N234 PolarHBondContact O-N 3.5Å; R231-L235 WeakPolarHBondContact O-CB 3.13Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 2.94Å; R231-E291 VanDerWaalsContact CD-O 3.26Å; R231-E291 WeakPolarHBondContact CD-O 3.35Å; R231-E291 PolarHBondContact NH1-O 3.18Å; R231-L292 HydrophobicContact CB-CD2 3.74Å; R231-L292 WeakPolarHBondContact CD-O 3.48Å; R231-F293 PolarHBondContact NH1-O 3.15Å
232A95.8Very high94.6Very high0 Ų060 Ų600%032%0.319CS..Hα-helixtrans-62.2-36.4177.100000112.6V228 A229 N236 L237 V238 M285 L292V228-A232 VanDerWaalsContact O-CB 3.3Å; V228-A232 WeakPolarHBondContact O-CB 3.43Å; V228-A232 PolarHBondContact O-N 3.38Å; A229-A232 PolarHBondContact O-N 2.77Å; A232-N236 PolarHBondContact O-N 3.18Å; A232-L237 PolarHBondContact O-N 3.49Å; A232-V238 HydrophobicContact CB-CG2 4.24Å; A232-M285 HydrophobicContact CB-CG 3.86Å; A232-M285 HydrophobicContact CB-SD 3.63Å; A232-L292 HydrophobicContact CB-CD1 4.42Å; A232-L292 HydrophobicContact CB-CD2 4.04Å
233L94.2Very high94.5Very high76 Ų7660 Ų6040%0.39832%0.324SS..Hα-helixtrans-68.4-47.8172.7-72.3168.8000111.7V204 A229 R230 R231 L235 N236 V238V204-L233 HydrophobicContact CB-CD1 4.47Å; V204-L233 HydrophobicContact CG2-CD1 3.81Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.24Å; R230-L233 PolarHBondContact O-N 2.91Å; R231-L233 VanDerWaalsContact C-N 3.28Å; R231-L233 PolarHBondContact O-N 3.22Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.78Å; L233-N236 PolarHBondContact O-N 3.13Å; L233-V238 HydrophobicContact CD2-CG2 3.9Å; L233-V238 HydrophobicContact CG-CG2 4.34Å
234N94.2Very high94.5Very high120 Ų12052.6 Ų52.664%0.64230%0.298SS*.Hα-helixtrans-63-35.3-179.6-70.3-11000112.8R230 R231 N236R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.25Å; R231-N234 PolarHBondContact O-N 3.5Å; N234-N236 PolarHBondContact O-N 3.39Å
235L94.3Very high94.5Very high56 Ų5652.5 Ų52.529%0.29330%0.297SS..THydrogen-bonded Turntrans-81.64175.6-65.3177.4000113.2R231 L233 L237 E291 L292R231-L235 WeakPolarHBondContact O-CB 3.13Å; R231-L235 WeakPolarHBondContact O-CG 3.41Å; R231-L235 PolarHBondContact O-N 2.94Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.78Å; L235-L237 HydrophobicContact CB-CD1 4.18Å; L235-L237 HydrophobicContact CB-CD2 4.19Å; L235-L237 HydrophobicContact CB-CG 3.79Å; L235-L237 HydrophobicContact CD1-CD1 4.32Å; L235-L237 PolarHBondContact O-N 2.91Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L235-E291 HydrophobicContact CD1-CB 4.26Å; L235-L292 HydrophobicContact CD1-CD2 4.01Å
236N93.4Very high94.6Very high125 Ų12552.5 Ų52.567%0.66830%0.298SS*.THydrogen-bonded Turntrans55.425.2-178.7-69.4-61.1000115.1A232 L233 N234 V238A232-N236 PolarHBondContact O-N 3.18Å; L233-N236 PolarHBondContact O-N 3.13Å; N234-N236 PolarHBondContact O-N 3.39Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.32Å
237L93.5Very high94.6Very high37 Ų3751.1 Ų51.119%0.19429%0.29CS..THydrogen-bonded Turntrans-71.7-26.9-177.3-53.9179.8000112.9A232 L235 R288 L292A232-L237 PolarHBondContact O-N 3.49Å; L235-L237 HydrophobicContact CB-CD1 4.18Å; L235-L237 HydrophobicContact CB-CD2 4.19Å; L235-L237 HydrophobicContact CB-CG 3.79Å; L235-L237 HydrophobicContact CD1-CD1 4.32Å; L235-L237 PolarHBondContact O-N 2.91Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L237-R288 HydrophobicContact CD1-CB 4.02Å; L237-R288 HydrophobicContact CD1-CG 4.46Å; L237-R288 HydrophobicContact CD2-CG 4.39Å; L237-L292 HydrophobicContact CD1-CD1 4.36Å; L237-L292 HydrophobicContact CD1-CD2 4.07Å
238V92.5Very high94.7Very high4 Ų449 Ų492%0.02428%0.277CS..THydrogen-bonded Turntrans-119.428.3-174-64.90000112.1A232 L233 N236 G240 R241 V246 T281 A284 M285A232-V238 HydrophobicContact CB-CG2 4.24Å; L233-V238 HydrophobicContact CD2-CG2 3.9Å; L233-V238 HydrophobicContact CG-CG2 4.34Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.32Å; V238-G240 PolarHBondContact O-N 3.1Å; V238-R241 HydrophobicContact CB-CB 4.36Å; V238-R241 HydrophobicContact CB-CG 4.23Å; V238-R241 VanDerWaalsContact O-CB 3.31Å; V238-R241 WeakPolarHBondContact O-CB 3.37Å; V238-R241 WeakPolarHBondContact O-CG 3.5Å; V238-R241 PolarHBondContact O-N 2.85Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-V246 HydrophobicContact CB-CG2 3.8Å; V238-V246 HydrophobicContact CG1-CG2 4.41Å; V238-V246 HydrophobicContact CG2-CB 4.46Å; V238-V246 HydrophobicContact CG2-CG1 3.93Å; V238-V246 HydrophobicContact CG2-CG2 3.62Å; V238-T281 HydrophobicContact CB-CG2 4.45Å; V238-T281 HydrophobicContact CG1-CG2 3.76Å; V238-A284 HydrophobicContact CG1-CB 4.47Å; V238-M285 HydrophobicContact CG1-CG 3.64Å; V238-M285 HydrophobicContact CG1-SD 4.13Å
239A90.2Very high94.7Very high71 Ų7149 Ų4959%0.58728%0.277SS*.THydrogen-bonded Turntrans-54.7132.8178.400000111.7R241A239-R241 PolarHBondContact O-N 3.5Å
240G91.1Very high94.8Very high91 Ų9148.9 Ų48.994%0.93828%0.277SS*.THydrogen-bonded Turntrans76.4-4.5-178.900000115.7V238V238-G240 PolarHBondContact O-N 3.1Å
241R92.7Very high94.9Very high113 Ų11343 Ų4343%0.42626%0.255SS..SBendtrans-78.6153.3173.5-56.8-64.5178.8161.90.8110.5V238 A239 V246 C280V238-R241 HydrophobicContact CB-CB 4.36Å; V238-R241 HydrophobicContact CB-CG 4.23Å; V238-R241 VanDerWaalsContact O-CB 3.31Å; V238-R241 WeakPolarHBondContact O-CB 3.37Å; V238-R241 WeakPolarHBondContact O-CG 3.5Å; V238-R241 PolarHBondContact O-N 2.85Å; V238-R241 VanDerWaalsContact O-N 3.1Å; A239-R241 PolarHBondContact O-N 3.5Å; R241-V246 HydrophobicContact CB-CG2 4.04Å; R241-C280 VanDerWaalsContact CZ-SG 3.58Å; R241-C280 PolarHBondContact NH1-SG 3Å; R241-C280 VanDerWaalsContact NH1-SG 3.37Å; R241-C280 PolarHBondContact NH2-SG 3.33Å
242S93.3Very high94.9Very high57 Ų5740.4 Ų40.440%0.39925%0.245SC..  trans-71.3142.7179.275.60000110.5V244 S245 V246S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.13Å; S242-S245 PolarHBondContact N-OG 3.4Å; S242-S245 PolarHBondContact O-N 3.48Å; S242-S245 PolarHBondContact O-OG 2.77Å; S242-S245 WeakPolarHBondContact OG-CB 3.34Å; S242-S245 PolarHBondContact OG-N 3.23Å; S242-S245 PolarHBondContact OG-OG 2.9Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; S242-V246 PolarHBondContact O-N 3.02Å
243P95.1Very high94.9Very high49 Ų4940.4 Ų40.432%0.31825%0.245SC..Hα-helixtrans-53.3-36.1176.7-29.135.3000113.2V204 F207 S245 V246 A247V204-P243 HydrophobicContact CG2-CB 3.95Å; F207-P243 HydrophobicContact CE2-CB 4.3Å; P243-S245 PolarHBondContact O-N 3.32Å; P243-V246 PolarHBondContact O-N 3.25Å; P243-A247 WeakPolarHBondContact O-CB 3.39Å; P243-A247 PolarHBondContact O-N 2.94Å
244V96.2Very high95Very high23 Ų2336.8 Ų36.814%0.13923%0.226CC..Hα-helixtrans-62.2-43.1175.6-172.80000111.7T169 F207 F211 S242 A247 A248 A271T169-V244 HydrophobicContact CG2-CG1 4.19Å; T169-V244 HydrophobicContact CG2-CG2 3.65Å; F207-V244 HydrophobicContact CD2-CG2 4.4Å; F207-V244 HydrophobicContact CE1-CG2 4.44Å; F207-V244 HydrophobicContact CE2-CG2 3.78Å; F207-V244 HydrophobicContact CZ-CG2 3.78Å; F211-V244 HydrophobicContact CE2-CG1 4.05Å; F211-V244 HydrophobicContact CZ-CG1 4.09Å; S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.13Å; V244-A247 PolarHBondContact O-N 3.44Å; V244-A248 WeakPolarHBondContact O-CB 3.27Å; V244-A248 PolarHBondContact O-N 2.96Å; V244-A271 HydrophobicContact CG1-CB 4.23Å; V244-A271 VanDerWaalsContact CG1-O 3.28Å; V244-A271 WeakPolarHBondContact CG1-O 3.29Å
245S96.4Very high95.1Very high2 Ų231.1 Ų31.11%0.01420%0.196CC..Hα-helixtrans-69.3-34.9178.466.20000112.9S242 P243 A249S242-S245 PolarHBondContact N-OG 3.4Å; S242-S245 PolarHBondContact O-N 3.48Å; S242-S245 PolarHBondContact O-OG 2.77Å; S242-S245 WeakPolarHBondContact OG-CB 3.34Å; S242-S245 PolarHBondContact OG-N 3.23Å; S242-S245 PolarHBondContact OG-OG 2.9Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; P243-S245 PolarHBondContact O-N 3.32Å; S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.08Å
246V97.2Very high95.1Very high1 Ų130.7 Ų30.71%0.00619%0.19CC..Hα-helixtrans-66.8-44.7173.7179.40000110V204 A229 V238 R241 S242 P243 A248 A249 A250 T281V204-V246 HydrophobicContact CG2-CB 4Å; V204-V246 HydrophobicContact CG2-CG1 3.99Å; A229-V246 HydrophobicContact CB-CG1 4.31Å; V238-V246 HydrophobicContact CB-CG2 3.8Å; V238-V246 HydrophobicContact CG1-CG2 4.41Å; V238-V246 HydrophobicContact CG2-CB 4.46Å; V238-V246 HydrophobicContact CG2-CG1 3.93Å; V238-V246 HydrophobicContact CG2-CG2 3.62Å; R241-V246 HydrophobicContact CB-CG2 4.04Å; S242-V246 PolarHBondContact O-N 3.02Å; P243-V246 PolarHBondContact O-N 3.25Å; V246-A248 PolarHBondContact O-N 2.8Å; V246-A249 PolarHBondContact O-N 3.37Å; V246-A250 VanDerWaalsContact O-CB 3.27Å; V246-A250 WeakPolarHBondContact O-CB 3.46Å; V246-A250 PolarHBondContact O-N 3.36Å; V246-T281 HydrophobicContact CG2-CG2 4.23Å
247A97.3Very high95.2Very high0 Ų024.7 Ų24.70%016%0.158CC..Hα-helixtrans-56.9-52.2175.300000111.7V204 F207 M208 F211 P243 V244 A249 A250 I251V204-A247 HydrophobicContact CG1-CB 3.75Å; F207-A247 HydrophobicContact CB-CB 4.38Å; M208-A247 HydrophobicContact CE-CB 4.15Å; F211-A247 HydrophobicContact CD2-CB 4.26Å; F211-A247 HydrophobicContact CE2-CB 4.27Å; P243-A247 WeakPolarHBondContact O-CB 3.39Å; P243-A247 PolarHBondContact O-N 2.94Å; V244-A247 PolarHBondContact O-N 3.44Å; A247-A249 PolarHBondContact O-N 3.21Å; A247-A250 PolarHBondContact O-N 3.26Å; A247-I251 WeakPolarHBondContact O-CB 3.42Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.31Å; A247-I251 PolarHBondContact O-N 3.28Å
248A97.5Very high95.2Very high0 Ų024.2 Ų24.20%016%0.156CC..Hα-helixtrans-59.4-44.6-179.200000112.4V244 V246 Y252 I267 A271 I278V244-A248 WeakPolarHBondContact O-CB 3.27Å; V244-A248 PolarHBondContact O-N 2.96Å; V246-A248 PolarHBondContact O-N 2.8Å; A248-Y252 PolarHBondContact O-N 3.18Å; A248-I267 HydrophobicContact CB-CG2 3.87Å; A248-A271 HydrophobicContact CB-CB 3.92Å; A248-I278 HydrophobicContact CB-CD1 4.04Å; A248-I278 HydrophobicContact CB-CG1 3.93Å
249A97.1Very high95.2Very high0 Ų026.1 Ų26.10%018%0.176CC..Hα-helixtrans-71.6-34.2-179.900000112.7S245 V246 A247 Y252 M253 I278 T281 M285S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 2.98Å; S245-A249 VanDerWaalsContact O-N 3.08Å; V246-A249 PolarHBondContact O-N 3.37Å; A247-A249 PolarHBondContact O-N 3.21Å; A249-Y252 PolarHBondContact O-N 2.93Å; A249-M253 WeakPolarHBondContact O-CB 3.48Å; A249-M253 PolarHBondContact O-N 3.41Å; A249-I278 HydrophobicContact CB-CG2 4.37Å; A249-T281 HydrophobicContact CB-CG2 3.79Å; A249-M285 VanDerWaalsContact C-CE 3.46Å; A249-M285 HydrophobicContact CB-CE 3.23Å
250A97.2Very high95.3Very high0 Ų028.2 Ų28.20%017%0.17CC..Hα-helixtrans-70-38.3175.200000111.8M208 V228 A229 V246 A247 M253 A254M208-A250 HydrophobicContact CE-CB 4.02Å; V228-A250 HydrophobicContact CB-CB 4.42Å; V228-A250 HydrophobicContact CG1-CB 3.97Å; A229-A250 HydrophobicContact CB-CB 3.76Å; V246-A250 VanDerWaalsContact O-CB 3.27Å; V246-A250 WeakPolarHBondContact O-CB 3.46Å; V246-A250 PolarHBondContact O-N 3.36Å; A247-A250 PolarHBondContact O-N 3.26Å; A250-M253 PolarHBondContact O-N 3.23Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 3.25Å
251I97.4Very high95.3Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-61.8-47.5171.7-69.1167.8000110.1M208 F211 L215 L217 A225 A247 M253 A254 A255 I267M208-I251 HydrophobicContact CE-CG1 4.49Å; M208-I251 HydrophobicContact SD-CD1 3.96Å; M208-I251 HydrophobicContact SD-CG1 3.7Å; F211-I251 HydrophobicContact CB-CD1 3.51Å; F211-I251 HydrophobicContact CD2-CD1 4.13Å; F211-I251 HydrophobicContact CG-CD1 4.36Å; L215-I251 HydrophobicContact CD1-CG2 3.77Å; L217-I251 HydrophobicContact CD1-CG2 3.54Å; A225-I251 HydrophobicContact CB-CG1 4.01Å; A247-I251 WeakPolarHBondContact O-CB 3.42Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.31Å; A247-I251 PolarHBondContact O-N 3.28Å; I251-M253 VanDerWaalsContact C-N 3.34Å; I251-M253 PolarHBondContact O-N 2.94Å; I251-A254 PolarHBondContact O-N 3.22Å; I251-A255 WeakPolarHBondContact O-CB 3.49Å; I251-A255 PolarHBondContact O-N 2.71Å; I251-I267 HydrophobicContact CG2-CD1 4.43Å
252Y97Very high95.3Very high23 Ų2328.4 Ų28.49%0.0914%0.144CC..Hα-helixtrans-56.8-48176.7178.8-108.7000111.8A248 A249 Y256 K262 K264 I267 Y282A248-Y252 PolarHBondContact O-N 3.18Å; A249-Y252 PolarHBondContact O-N 2.93Å; Y252-Y256 WeakPolarHBondContact O-CB 3.42Å; Y252-Y256 PolarHBondContact O-N 2.91Å; Y252-K262 WeakPolarHBondContact CE2-O 3.2Å; Y252-K264 HydrophobicContact CD2-CG 3.94Å; Y252-K264 HydrophobicContact CE1-CG 4.25Å; Y252-K264 HydrophobicContact CE2-CG 3.58Å; Y252-K264 HydrophobicContact CG-CG 4.41Å; Y252-K264 VanDerWaalsContact CZ-CE 3.46Å; Y252-K264 WeakPolarHBondContact OH-CE 3.45Å; Y252-I267 HydrophobicContact CD2-CD1 3.71Å; Y252-I267 HydrophobicContact CG-CD1 4.11Å; Y252-Y282 AromaticContact CD1-CD2 3.55Å; Y252-Y282 HydrophobicContact CD1-CD2 3.55Å; Y252-Y282 AromaticContact CD1-CE2 3.67Å; Y252-Y282 HydrophobicContact CD1-CE2 3.67Å; Y252-Y282 AromaticContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CE1-CD1 4.27Å; Y252-Y282 HydrophobicContact CE1-CD2 4.01Å; Y252-Y282 HydrophobicContact CE1-CE1 4.12Å; Y252-Y282 AromaticContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CG 4.19Å; Y252-Y282 AromaticContact CE1-CZ 3.89Å
253M95.6Very high95.4Very high0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-61.4-48.3179.1-177.9172.3-7500112.3V228 A249 A250 I251 A257 Y282 M285 L292 F293 L306V228-M253 HydrophobicContact CG1-CG 4.42Å; V228-M253 HydrophobicContact CG1-SD 3.78Å; A249-M253 WeakPolarHBondContact O-CB 3.48Å; A249-M253 PolarHBondContact O-N 3.41Å; A250-M253 PolarHBondContact O-N 3.23Å; I251-M253 VanDerWaalsContact C-N 3.34Å; I251-M253 PolarHBondContact O-N 2.94Å; M253-A257 WeakPolarHBondContact O-CB 3.27Å; M253-A257 PolarHBondContact O-N 3.49Å; M253-Y282 HydrophobicContact CB-CD2 4.14Å; M253-Y282 HydrophobicContact CB-CE2 3.85Å; M253-Y282 HydrophobicContact CE-CD2 3.78Å; M253-Y282 HydrophobicContact CE-CE2 3.54Å; M253-Y282 HydrophobicContact CG-CE2 4.17Å; M253-M285 HydrophobicContact CE-CB 3.61Å; M253-M285 HydrophobicContact SD-CB 4.39Å; M253-L292 HydrophobicContact SD-CD1 3.99Å; M253-F293 HydrophobicContact CG-CE1 4.45Å; M253-F293 HydrophobicContact CG-CE2 4.07Å; M253-F293 HydrophobicContact CG-CZ 3.56Å; M253-F293 HydrophobicContact SD-CE2 4.27Å; M253-F293 HydrophobicContact SD-CZ 4.27Å; M253-L306 HydrophobicContact CG-CD1 4.21Å
254A95.8Very high95.4Very high0 Ų031.3 Ų31.30%015%0.146CC..Hα-helixtrans-67.2-43179.800000112.9V221 V224 A225 A250 I251 Y256 A257 L258V221-A254 HydrophobicContact CG1-CB 4.24Å; V224-A254 HydrophobicContact CB-CB 4.13Å; V224-A254 HydrophobicContact CG1-CB 3.77Å; A225-A254 HydrophobicContact CB-CB 3.81Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 3.25Å; I251-A254 PolarHBondContact O-N 3.22Å; A254-Y256 VanDerWaalsContact C-N 3.35Å; A254-A257 PolarHBondContact O-N 3.07Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 3.03Å
255A96Very high95.4Very high1 Ų138 Ų381%0.00817%0.169CC..Hα-helixtrans-63.9-41.5179.200000111.2L217 V221 I251 G259 Y260L217-A255 HydrophobicContact CD1-CB 4.26Å; L217-A255 HydrophobicContact CD2-CB 4.14Å; V221-A255 HydrophobicContact CG1-CB 3.99Å; I251-A255 WeakPolarHBondContact O-CB 3.49Å; I251-A255 PolarHBondContact O-N 2.71Å; A255-G259 PolarHBondContact O-N 3.19Å; A255-Y260 WeakPolarHBondContact CB-O 3.28Å; A255-Y260 CarbonylContact O-C 3.49Å; A255-Y260 VanDerWaalsContact O-C 3.3Å; A255-Y260 WeakPolarHBondContact O-CA 3.39Å; A255-Y260 PolarHBondContact O-N 3.04Å
256Y95.2Very high95.4Very high47 Ų4741.3 Ų41.318%0.18418%0.184CC..Hα-helixtrans-64.6-47.6175.2-162.3-78.7000111.9Y252 A254 L258 G259 R261 I301 L306 P307Y252-Y256 WeakPolarHBondContact O-CB 3.42Å; Y252-Y256 PolarHBondContact O-N 2.91Å; A254-Y256 VanDerWaalsContact C-N 3.35Å; Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 3.28Å; Y256-G259 PolarHBondContact O-N 2.89Å; Y256-G259 VanDerWaalsContact O-N 3.17Å; Y256-R261 HydrophobicContact CD2-CG 4.2Å; Y256-R261 HydrophobicContact CE2-CG 4.37Å; Y256-I301 HydrophobicContact CD1-CD1 3.73Å; Y256-I301 HydrophobicContact CE1-CD1 3.38Å; Y256-I301 HydrophobicContact CE1-CG2 4.4Å; Y256-L306 HydrophobicContact CD1-CD2 3.47Å; Y256-L306 VanDerWaalsContact CD1-CD2 3.47Å; Y256-L306 HydrophobicContact CE1-CD2 4.16Å; Y256-L306 HydrophobicContact CG-CD2 4.31Å; Y256-P307 HydrophobicContact CD1-CG 4.33Å; Y256-P307 HydrophobicContact CD2-CG 4.08Å; Y256-P307 HydrophobicContact CE1-CG 3.89Å; Y256-P307 HydrophobicContact CE2-CG 3.63Å; Y256-P307 HydrophobicContact CG-CG 4.4Å
257A94.4Very high95.4Very high0 Ų041.4 Ų41.40%018%0.184CC..Hα-helixtrans-65.1-29.9-177.400000113.7M253 A254 F293 L299 A300 I301 L306M253-A257 WeakPolarHBondContact O-CB 3.27Å; M253-A257 PolarHBondContact O-N 3.49Å; A254-A257 PolarHBondContact O-N 3.07Å; A257-F293 HydrophobicContact CB-CD1 4.49Å; A257-F293 HydrophobicContact CB-CE1 3.5Å; A257-F293 HydrophobicContact CB-CE2 4.38Å; A257-F293 HydrophobicContact CB-CZ 3.42Å; A257-F293 VanDerWaalsContact CB-CZ 3.42Å; A257-L299 HydrophobicContact CB-CD2 4.06Å; A257-A300 WeakPolarHBondContact O-CA 3.43Å; A257-A300 WeakPolarHBondContact O-CB 3.36Å; A257-A300 PolarHBondContact O-N 2.8Å; A257-I301 PolarHBondContact O-N 3.41Å; A257-I301 VanDerWaalsContact O-N 3.11Å; A257-L306 HydrophobicContact CB-CD2 4.24Å
258L94.3Very high95.3Very high27 Ų2741.6 Ų41.614%0.14119%0.186CC..THydrogen-bonded Turntrans-91.42177.6-70.1170.2000114V221 V224 A254 Y256 Y260 V297 L299V221-L258 HydrophobicContact CB-CD1 4.07Å; V221-L258 HydrophobicContact CG2-CB 4.04Å; V221-L258 HydrophobicContact CG2-CD1 3.49Å; V221-L258 VanDerWaalsContact CG2-CD1 3.49Å; V221-L258 HydrophobicContact CG2-CG 4.43Å; V224-L258 HydrophobicContact CB-CD1 4.18Å; V224-L258 HydrophobicContact CG2-CD1 3.98Å; A254-L258 WeakPolarHBondContact O-CB 3.46Å; A254-L258 PolarHBondContact O-N 3.03Å; Y256-L258 VanDerWaalsContact C-N 3.3Å; Y256-L258 PolarHBondContact O-N 3.28Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 HydrophobicContact CB-CD2 3.95Å; L258-Y260 HydrophobicContact CB-CE2 4.43Å; L258-Y260 WeakPolarHBondContact O-CD2 3.34Å; L258-V297 HydrophobicContact CD2-CG1 3.77Å; L258-L299 HydrophobicContact CD2-CD2 4.21Å
259G92.6Very high95.2Very high44 Ų4447.2 Ų47.245%0.45422%0.217SC..THydrogen-bonded Turntrans83.22.2178.600000115.4A255 Y256 R261A255-G259 PolarHBondContact O-N 3.19Å; Y256-G259 PolarHBondContact O-N 2.89Å; Y256-G259 VanDerWaalsContact O-N 3.17Å; G259-R261 VanDerWaalsContact C-N 3.28Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.17Å
260Y92.8Very high95.1Very high114 Ų11448.9 Ų48.945%0.44723%0.227SC..  trans-89.259.4174.5-65.1-83.2000110.8N218 V221 A255 L258 K262N218-Y260 WeakPolarHBondContact ND2-CE2 3.38Å; N218-Y260 PolarHBondContact ND2-OH 3.36Å; V221-Y260 HydrophobicContact CG2-CD2 3.51Å; V221-Y260 HydrophobicContact CG2-CE2 4.22Å; V221-Y260 HydrophobicContact CG2-CG 4.06Å; A255-Y260 WeakPolarHBondContact CB-O 3.28Å; A255-Y260 CarbonylContact O-C 3.49Å; A255-Y260 VanDerWaalsContact O-C 3.3Å; A255-Y260 WeakPolarHBondContact O-CA 3.39Å; A255-Y260 PolarHBondContact O-N 3.04Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 HydrophobicContact CB-CD2 3.95Å; L258-Y260 HydrophobicContact CB-CE2 4.43Å; L258-Y260 WeakPolarHBondContact O-CD2 3.34Å; Y260-K262 PolarHBondContact O-N 2.84Å
261R90.2Very high95Very high163 Ų16349 Ų4962%0.61523%0.228SC*.  trans-58.4132.7-171.2-64.1-178-178.9166.81.1111.8Y256 G259Y256-R261 HydrophobicContact CD2-CG 4.2Å; Y256-R261 HydrophobicContact CE2-CG 4.37Å; G259-R261 VanDerWaalsContact C-N 3.28Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.17Å
262K93.8Very high94.8Very high46 Ų4650 Ų5020%0.224%0.238CC..  trans-130.3142.6176.2-69.6-68.8-177.5171.60109.5L215 L217 Y252 Y260 E266 I267L215-K262 WeakPolarHBondContact O-CE 3.43Å; L215-K262 PolarHBondContact O-NZ 3.07Å; L217-K262 HydrophobicContact CD2-CG 4.04Å; Y252-K262 WeakPolarHBondContact CE2-O 3.2Å; Y260-K262 PolarHBondContact O-N 2.84Å; K262-E266 WeakPolarHBondContact CD-OE1 3.18Å; K262-E266 WeakPolarHBondContact CD-OE2 3.39Å; K262-E266 IonicContact NZ-OE1 2.71Å; K262-E266 PolarHBondContact NZ-OE1 2.71Å; K262-E266 IonicContact NZ-OE2 2.8Å; K262-I267 HydrophobicContact CB-CD1 3.99Å; K262-I267 HydrophobicContact CB-CG1 4.02Å
263E94.6Very high94.7Very high139 Ų13949.9 Ų49.965%0.6524%0.24SC*.  trans-71.7145.5176.3-66.3-171.1172.300110.5R265 E266 I267E263-R265 PolarHBondContact O-N 2.96Å; E263-E266 HydrophobicContact CB-CB 4.28Å; E263-E266 WeakPolarHBondContact O-CB 3.42Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.12Å; E263-I267 PolarHBondContact O-N 2.88Å; E263-I267 VanDerWaalsContact O-N 3.1Å
264K95.2Very high94.7Very high28 Ų2852.5 Ų52.512%0.12226%0.262CS..Hα-helixtrans-59.7-33.2176.9-63.9176.3-178.6171.10111.3Y252 G268 E275 I278 T279Y252-K264 HydrophobicContact CD2-CG 3.94Å; Y252-K264 HydrophobicContact CE1-CG 4.25Å; Y252-K264 HydrophobicContact CE2-CG 3.58Å; Y252-K264 HydrophobicContact CG-CG 4.41Å; Y252-K264 VanDerWaalsContact CZ-CE 3.46Å; Y252-K264 WeakPolarHBondContact OH-CE 3.45Å; K264-G268 PolarHBondContact O-N 3.02Å; K264-E275 HydrophobicContact CB-CG 3.77Å; K264-E275 HydrophobicContact CD-CG 4.31Å; K264-I278 WeakPolarHBondContact O-CD1 2.98Å; K264-T279 WeakPolarHBondContact CD-OG1 3.44Å; K264-T279 PolarHBondContact NZ-OG1 3.36Å
265R95.8Very high94.6Very high164 Ų16457.2 Ų57.262%0.61928%0.284SS*.Hα-helixtrans-62-49.8173.4-178179.3173.4174.3-1.1111.9E263 I267 G268 D269E263-R265 PolarHBondContact O-N 2.96Å; R265-I267 VanDerWaalsContact C-N 3.32Å; R265-I267 PolarHBondContact O-N 3.29Å; R265-G268 CarbonylContact O-C 3.52Å; R265-G268 WeakPolarHBondContact O-CA 3.45Å; R265-G268 PolarHBondContact O-N 2.96Å; R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.27Å
266E96.5Very high94.7Very high71 Ų7160.8 Ų60.833%0.33231%0.313SS..Hα-helixtrans-58.8-43.8178.7-169.6-172.4168.200111.6L215 K262 E263 G268 D269 V270L215-E266 HydrophobicContact CD2-CG 3.92Å; K262-E266 WeakPolarHBondContact CD-OE1 3.18Å; K262-E266 WeakPolarHBondContact CD-OE2 3.39Å; K262-E266 IonicContact NZ-OE1 2.71Å; K262-E266 PolarHBondContact NZ-OE1 2.71Å; K262-E266 IonicContact NZ-OE2 2.8Å; E263-E266 HydrophobicContact CB-CB 4.28Å; E263-E266 WeakPolarHBondContact O-CB 3.42Å; E263-E266 PolarHBondContact O-N 3.26Å; E263-E266 VanDerWaalsContact O-N 3.12Å; E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.45Å; E266-D269 PolarHBondContact O-N 3.32Å; E266-V270 PolarHBondContact O-N 3.49Å
267I96.5Very high94.7Very high2 Ų261.1 Ų61.11%0.0132%0.32CS..Hα-helixtrans-65.6-39.3174.6-60.7175.3000111L215 A248 I251 Y252 K262 E263 R265 D269 V270 A271 I278L215-I267 HydrophobicContact CD1-CG1 3.95Å; L215-I267 HydrophobicContact CD1-CG2 4.5Å; L215-I267 HydrophobicContact CD2-CG1 4.22Å; A248-I267 HydrophobicContact CB-CG2 3.87Å; I251-I267 HydrophobicContact CG2-CD1 4.43Å; Y252-I267 HydrophobicContact CD2-CD1 3.71Å; Y252-I267 HydrophobicContact CG-CD1 4.11Å; K262-I267 HydrophobicContact CB-CD1 3.99Å; K262-I267 HydrophobicContact CB-CG1 4.02Å; E263-I267 PolarHBondContact O-N 2.88Å; E263-I267 VanDerWaalsContact O-N 3.1Å; R265-I267 VanDerWaalsContact C-N 3.32Å; R265-I267 PolarHBondContact O-N 3.29Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-V270 PolarHBondContact O-N 3.42Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 3.34Å; I267-I278 HydrophobicContact CB-CD1 4.28Å; I267-I278 HydrophobicContact CG2-CD1 4.06Å
268G96.3Very high94.8Very high4 Ų461.1 Ų61.14%0.04132%0.32CS..Hα-helixtrans-61.5-40176.400000113.2K264 R265 E266 G272 C273K264-G268 PolarHBondContact O-N 3.02Å; R265-G268 CarbonylContact O-C 3.52Å; R265-G268 WeakPolarHBondContact O-CA 3.45Å; R265-G268 PolarHBondContact O-N 2.96Å; E266-G268 VanDerWaalsContact C-N 3.33Å; E266-G268 PolarHBondContact O-N 3.45Å; G268-G272 CarbonylContact O-C 3.59Å; G268-G272 WeakPolarHBondContact O-CA 3.25Å; G268-G272 PolarHBondContact O-N 2.86Å; G268-C273 CarbonylContact C-O 3.52Å; G268-C273 WeakPolarHBondContact CA-O 3.5Å; G268-C273 PolarHBondContact O-N 3.05Å
269D95.2Very high94.8Very high119 Ų11960.8 Ų60.864%0.63632%0.32SS*.Hα-helixtrans-65.8-41.7178.4-68.5-22.7000111R265 E266 I267R265-D269 VanDerWaalsContact O-CG 3.3Å; R265-D269 PolarHBondContact O-N 3.27Å; E266-D269 PolarHBondContact O-N 3.32Å; I267-D269 VanDerWaalsContact C-N 3.34Å
270V95.1Very high95Very high35 Ų3561.1 Ų61.121%0.21231%0.314CS..Hα-helixtrans-71.5-47.6176.6173.60000112.4F211 N214 L215 E266 I267 G272F211-V270 HydrophobicContact CB-CG1 4.27Å; F211-V270 HydrophobicContact CD1-CG1 3.95Å; F211-V270 HydrophobicContact CG-CG1 4.35Å; N214-V270 HydrophobicContact CB-CG1 3.64Å; N214-V270 HydrophobicContact CB-CG2 4.22Å; L215-V270 HydrophobicContact CD2-CB 4.39Å; L215-V270 HydrophobicContact CD2-CG2 3.82Å; L215-V270 HydrophobicContact CG-CB 4.42Å; L215-V270 HydrophobicContact CG-CG1 4.45Å; L215-V270 HydrophobicContact CG-CG2 4.11Å; E266-V270 PolarHBondContact O-N 3.49Å; I267-V270 PolarHBondContact O-N 3.42Å; V270-G272 VanDerWaalsContact C-N 3.3Å; V270-G272 PolarHBondContact O-N 3.22Å
271A94.9Very high95.1Very high3 Ų355.7 Ų55.73%0.02529%0.293CS..Hα-helixtrans-77.7-17.6-176.800000113F211 V244 A248 I267F211-A271 HydrophobicContact CD2-CB 4.13Å; F211-A271 HydrophobicContact CE2-CB 3.77Å; F211-A271 HydrophobicContact CZ-CB 4.04Å; V244-A271 HydrophobicContact CG1-CB 4.23Å; V244-A271 VanDerWaalsContact CG1-O 3.28Å; V244-A271 WeakPolarHBondContact CG1-O 3.29Å; A248-A271 HydrophobicContact CB-CB 3.92Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 3.34Å
272G93.5Very high95.4Very high21 Ų2148 Ų4822%0.21626%0.264CS..THydrogen-bonded Turntrans68.237-168.200000112.2K171 G268 V270K171-G272 WeakPolarHBondContact CD-O 3.17Å; K171-G272 WeakPolarHBondContact CE-O 3.4Å; K171-G272 PolarHBondContact NZ-O 3.37Å; G268-G272 CarbonylContact O-C 3.59Å; G268-G272 WeakPolarHBondContact O-CA 3.25Å; G268-G272 PolarHBondContact O-N 2.86Å; V270-G272 VanDerWaalsContact C-N 3.3Å; V270-G272 PolarHBondContact O-N 3.22Å
273C93.8Very high95.4Very high19 Ų1953 Ų5313%0.12828%0.282CS..  trans-111.9145.5174.6-74.50000110.7G268 I278G268-C273 CarbonylContact C-O 3.52Å; G268-C273 WeakPolarHBondContact CA-O 3.5Å; G268-C273 PolarHBondContact O-N 3.05Å; C273-I278 HydrophobicContact CB-CD1 4.26Å; C273-I278 HydrophobicContact CB-CG1 4.01Å
274A95.4Very high95.4Very high55 Ų5547.9 Ų47.946%0.45526%0.263SS..  trans-69.3143.8170.900000109.4A276 T277 I278A274-A276 PolarHBondContact O-N 3.08Å; A274-T277 WeakPolarHBondContact O-CA 3.31Å; A274-T277 VanDerWaalsContact O-CB 3.23Å; A274-T277 WeakPolarHBondContact O-CB 3.16Å; A274-T277 PolarHBondContact O-N 3.49Å; A274-I278 PolarHBondContact O-N 3.06Å; A274-I278 VanDerWaalsContact O-N 3.14Å
275E95.6Very high95.4Very high100 Ų10046.5 Ų46.547%0.46726%0.257SS..Hα-helixtrans-54-39.2177.5174.3171.5-172.100112.5K264 T277 I278 T279K264-E275 HydrophobicContact CB-CG 3.77Å; K264-E275 HydrophobicContact CD-CG 4.31Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 3.19Å; E275-I278 PolarHBondContact O-N 3.34Å; E275-T279 WeakPolarHBondContact O-CB 3.22Å; E275-T279 PolarHBondContact O-N 3.39Å; E275-T279 PolarHBondContact O-OG1 2.68Å; E275-T279 VanDerWaalsContact O-OG1 3.05Å
276A96.3Very high95.3Very high76 Ų7640.6 Ų40.663%0.62824%0.236SC*.Hα-helixtrans-60.3-35.217500000112.5A274 C280A274-A276 PolarHBondContact O-N 3.08Å; A276-C280 VanDerWaalsContact O-CB 3.32Å; A276-C280 WeakPolarHBondContact O-CB 2.81Å; A276-C280 PolarHBondContact O-N 3.28Å
277T95.9Very high95Very high54 Ų5441.4 Ų41.433%0.33125%0.25SS..Hα-helixtrans-68.9-44.4176.1-520000110.8A274 E275 T279 C280 T281A274-T277 WeakPolarHBondContact O-CA 3.31Å; A274-T277 VanDerWaalsContact O-CB 3.23Å; A274-T277 WeakPolarHBondContact O-CB 3.16Å; A274-T277 PolarHBondContact O-N 3.49Å; E275-T277 VanDerWaalsContact C-N 3.25Å; E275-T277 PolarHBondContact O-N 3.19Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T277-C280 PolarHBondContact O-N 2.89Å; T277-T281 PolarHBondContact O-N 3.02Å; T277-T281 PolarHBondContact O-OG1 3.2Å
278I96.4Very high94.8Very high0 Ų045.5 Ų45.50%027%0.265CS..Hα-helixtrans-60.9-46.6176.3-62.4174.1000109.7A248 A249 K264 I267 C273 A274 E275 C280 T281 Y282A248-I278 HydrophobicContact CB-CD1 4.04Å; A248-I278 HydrophobicContact CB-CG1 3.93Å; A249-I278 HydrophobicContact CB-CG2 4.37Å; K264-I278 WeakPolarHBondContact O-CD1 2.98Å; I267-I278 HydrophobicContact CB-CD1 4.28Å; I267-I278 HydrophobicContact CG2-CD1 4.06Å; C273-I278 HydrophobicContact CB-CD1 4.26Å; C273-I278 HydrophobicContact CB-CG1 4.01Å; A274-I278 PolarHBondContact O-N 3.06Å; A274-I278 VanDerWaalsContact O-N 3.14Å; E275-I278 PolarHBondContact O-N 3.34Å; I278-C280 PolarHBondContact O-N 3.4Å; I278-T281 PolarHBondContact O-N 2.81Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.33Å
279T95.6Very high94.7Very high20 Ų2045.6 Ų45.612%0.12327%0.265CS..Hα-helixtrans-60.3-44.7178.3-61.90000112.1K264 E275 T277 Y282 R283K264-T279 WeakPolarHBondContact CD-OG1 3.44Å; K264-T279 PolarHBondContact NZ-OG1 3.36Å; E275-T279 WeakPolarHBondContact O-CB 3.22Å; E275-T279 PolarHBondContact O-N 3.39Å; E275-T279 PolarHBondContact O-OG1 2.68Å; E275-T279 VanDerWaalsContact O-OG1 3.05Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T279-Y282 PolarHBondContact O-N 2.64Å; T279-R283 WeakPolarHBondContact O-CG 3.03Å; T279-R283 PolarHBondContact O-N 3.32Å
280C95.3Very high94.5Very high51 Ų5143.5 Ų43.535%0.34526%0.26SS..Hα-helixtrans-63.6-44.9179.3-171.30000112.1R241 A276 T277 I278 A284R241-C280 VanDerWaalsContact CZ-SG 3.58Å; R241-C280 PolarHBondContact NH1-SG 3Å; R241-C280 VanDerWaalsContact NH1-SG 3.37Å; R241-C280 PolarHBondContact NH2-SG 3.33Å; A276-C280 VanDerWaalsContact O-CB 3.32Å; A276-C280 WeakPolarHBondContact O-CB 2.81Å; A276-C280 PolarHBondContact O-N 3.28Å; T277-C280 PolarHBondContact O-N 2.89Å; I278-C280 PolarHBondContact O-N 3.4Å; C280-A284 PolarHBondContact O-N 3.34Å
281T95.5Very high94.4Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-69.2-37.8177.3-55.20000111.7V238 V246 A249 T277 I278 A284 M285V238-T281 HydrophobicContact CB-CG2 4.45Å; V238-T281 HydrophobicContact CG1-CG2 3.76Å; V246-T281 HydrophobicContact CG2-CG2 4.23Å; A249-T281 HydrophobicContact CB-CG2 3.79Å; T277-T281 PolarHBondContact O-N 3.02Å; T277-T281 PolarHBondContact O-OG1 3.2Å; I278-T281 PolarHBondContact O-N 2.81Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.5Å; T281-M285 HydrophobicContact CG2-CE 4.31Å; T281-M285 PolarHBondContact O-N 3.38Å
282Y95.9Very high94.3Very high0 Ų045.6 Ų45.60%027%0.267CS..Hα-helixtrans-61.7-46.9176.1174.8-101.9000112Y252 M253 I278 T279 A284 M285 H286 P307Y252-Y282 AromaticContact CD1-CD2 3.55Å; Y252-Y282 HydrophobicContact CD1-CD2 3.55Å; Y252-Y282 AromaticContact CD1-CE2 3.67Å; Y252-Y282 HydrophobicContact CD1-CE2 3.67Å; Y252-Y282 AromaticContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CD1-CG 3.98Å; Y252-Y282 HydrophobicContact CE1-CD1 4.27Å; Y252-Y282 HydrophobicContact CE1-CD2 4.01Å; Y252-Y282 HydrophobicContact CE1-CE1 4.12Å; Y252-Y282 AromaticContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CE2 3.84Å; Y252-Y282 HydrophobicContact CE1-CG 4.19Å; Y252-Y282 AromaticContact CE1-CZ 3.89Å; M253-Y282 HydrophobicContact CB-CD2 4.14Å; M253-Y282 HydrophobicContact CB-CE2 3.85Å; M253-Y282 HydrophobicContact CE-CD2 3.78Å; M253-Y282 HydrophobicContact CE-CE2 3.54Å; M253-Y282 HydrophobicContact CG-CE2 4.17Å; I278-Y282 WeakPolarHBondContact O-CB 3.33Å; I278-Y282 PolarHBondContact O-N 3.33Å; T279-Y282 PolarHBondContact O-N 2.64Å; Y282-A284 VanDerWaalsContact C-N 3.26Å; Y282-A284 PolarHBondContact O-N 2.81Å; Y282-M285 CarbonylContact O-C 3.57Å; Y282-M285 PolarHBondContact O-N 3.43Å; Y282-H286 HydrophobicContact CE1-CB 4.36Å; Y282-H286 AromaticContact CE1-CD2 3.98Å; Y282-H286 AromaticContact CZ-CD2 3.92Å; Y282-H286 WeakPolarHBondContact O-CB 3.3Å; Y282-H286 PolarHBondContact O-N 3.33Å; Y282-P307 WeakPolarHBondContact CE1-O 3.26Å; Y282-P307 PolarHBondContact OH-O 3.36Å
283R95.1Very high94.3Very high152 Ų15245 Ų4557%0.57426%0.258SS*.Hα-helixtrans-58.4-37.7176.7-75.8177.5-178.1175.80.9112.9T279 M285 H286T279-R283 WeakPolarHBondContact O-CG 3.03Å; T279-R283 PolarHBondContact O-N 3.32Å; R283-M285 VanDerWaalsContact C-N 3.32Å; R283-M285 PolarHBondContact O-N 3.41Å; R283-H286 PolarHBondContact O-N 3.41Å
284A94.3Very high94.2Very high31 Ų3144.7 Ų44.726%0.25626%0.256SS..Hα-helixtrans-62.2-41.4175.700000111.6V238 C280 T281 Y282 S287V238-A284 HydrophobicContact CG1-CB 4.47Å; C280-A284 PolarHBondContact O-N 3.34Å; T281-A284 WeakPolarHBondContact O-CB 3.48Å; T281-A284 PolarHBondContact O-N 3.5Å; Y282-A284 VanDerWaalsContact C-N 3.26Å; Y282-A284 PolarHBondContact O-N 2.81Å; A284-S287 PolarHBondContact O-OG 3.43Å
285M94.9Very high93.8Very high0 Ų050.9 Ų50.90%028%0.276CS..Hα-helixtrans-75.4-34.2176.9-66.5-173.8-61.100113.2A232 V238 A249 M253 T281 Y282 R283 S287 R288 A289 L292A232-M285 HydrophobicContact CB-CG 3.86Å; A232-M285 HydrophobicContact CB-SD 3.63Å; V238-M285 HydrophobicContact CG1-CG 3.64Å; V238-M285 HydrophobicContact CG1-SD 4.13Å; A249-M285 VanDerWaalsContact C-CE 3.46Å; A249-M285 HydrophobicContact CB-CE 3.23Å; M253-M285 HydrophobicContact CE-CB 3.61Å; M253-M285 HydrophobicContact SD-CB 4.39Å; T281-M285 HydrophobicContact CG2-CE 4.31Å; T281-M285 PolarHBondContact O-N 3.38Å; Y282-M285 CarbonylContact O-C 3.57Å; Y282-M285 PolarHBondContact O-N 3.43Å; R283-M285 VanDerWaalsContact C-N 3.32Å; R283-M285 PolarHBondContact O-N 3.41Å; M285-S287 PolarHBondContact O-N 2.82Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.8Å; M285-R288 VanDerWaalsContact O-N 3.12Å; M285-A289 PolarHBondContact O-N 2.91Å; M285-L292 HydrophobicContact CB-CD1 3.68Å; M285-L292 HydrophobicContact CG-CD1 4.21Å; M285-L292 WeakPolarHBondContact O-CD1 3.36Å
286H93.6Very high93.4Very high39 Ų3953 Ų5318%0.18129%0.29CS..Hα-helixtrans-57.2-37-177.7-176.7-81.6000112Y282 R283 R288 A289 L306 P307 L308Y282-H286 HydrophobicContact CE1-CB 4.36Å; Y282-H286 AromaticContact CE1-CD2 3.98Å; Y282-H286 AromaticContact CZ-CD2 3.92Å; Y282-H286 WeakPolarHBondContact O-CB 3.3Å; Y282-H286 PolarHBondContact O-N 3.33Å; R283-H286 PolarHBondContact O-N 3.41Å; H286-R288 PolarHBondContact O-N 2.73Å; H286-A289 WeakPolarHBondContact O-CB 3.46Å; H286-A289 PolarHBondContact O-N 2.84Å; H286-L306 PolarHBondContact NE2-O 3.08Å; H286-P307 PolarHBondContact CD2-O 3.3Å; H286-P307 PolarHBondContact NE2-O 3.37Å; H286-L308 VanDerWaalsContact CE1-CD2 3.48Å; H286-L308 WeakPolarHBondContact CE1-CD2 3.46Å; H286-L308 WeakPolarHBondContact ND1-CD2 3.43Å
287S90.3Very high92.9Very high89 Ų8951.5 Ų51.562%0.62227%0.273SS*.THydrogen-bonded Turntrans-53.4-24.9177.467.20000115.3A284 M285A284-S287 PolarHBondContact O-OG 3.43Å; M285-S287 PolarHBondContact O-N 2.82Å
288R92.8Very high92.6Very high88 Ų8860.3 Ų60.333%0.33230%0.3SS..THydrogen-bonded Turntrans-13232.8177.6-59.3-177.977.5177.42.7111.5L237 M285 H286 S290 E291 L292L237-R288 HydrophobicContact CD1-CB 4.02Å; L237-R288 HydrophobicContact CD1-CG 4.46Å; L237-R288 HydrophobicContact CD2-CG 4.39Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.8Å; M285-R288 VanDerWaalsContact O-N 3.12Å; H286-R288 PolarHBondContact O-N 2.73Å; R288-S290 PolarHBondContact O-N 2.77Å; R288-S290 VanDerWaalsContact O-N 3.15Å; R288-E291 IonicContact CZ-OE1 3.58Å; R288-E291 IonicContact CZ-OE2 3.78Å; R288-E291 VanDerWaalsContact NE-CD 3.32Å; R288-E291 IonicContact NE-OE1 2.77Å; R288-E291 PolarHBondContact NE-OE1 2.97Å; R288-E291 IonicContact NE-OE2 3.18Å; R288-E291 PolarHBondContact NE-OE2 3.14Å; R288-E291 IonicContact NH2-OE1 3.8Å; R288-E291 PolarHBondContact NH2-OE1 3.04Å; R288-E291 IonicContact NH2-OE2 3.92Å; R288-E291 PolarHBondContact NH2-OE2 3.07Å; R288-E291 PolarHBondContact O-N 3.34Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å
289A92.9Very high92.3Very high5 Ų562.6 Ų62.64%0.04131%0.312CS..Hα-helixtrans-53.3-39.1-174.600000112.8M285 H286 E291 L292 F293 P303 L306M285-A289 PolarHBondContact O-N 2.91Å; H286-A289 WeakPolarHBondContact O-CB 3.46Å; H286-A289 PolarHBondContact O-N 2.84Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 3.16Å; A289-L292 PolarHBondContact O-N 3.41Å; A289-L292 VanDerWaalsContact O-N 3.11Å; A289-F293 WeakPolarHBondContact O-CD2 3.46Å; A289-P303 HydrophobicContact CB-CB 4.06Å; A289-L306 HydrophobicContact CB-CD1 4.06Å
290S90.9Very high92.1Very high75 Ų7565 Ų6552%0.52434%0.335SS..Hα-helixtrans-57.5-34178.452.50000113.7R288R288-S290 PolarHBondContact O-N 2.77Å; R288-S290 VanDerWaalsContact O-N 3.15Å
291E93Very high91.9Very high82 Ų8263.5 Ų63.538%0.38332%0.323SS..Hα-helixtrans-82.3-18.3179.9-60.6-178.2-135.600113.2R231 L235 R288 A289R231-E291 VanDerWaalsContact CD-O 3.26Å; R231-E291 WeakPolarHBondContact CD-O 3.35Å; R231-E291 PolarHBondContact NH1-O 3.18Å; L235-E291 HydrophobicContact CD1-CB 4.26Å; R288-E291 IonicContact CZ-OE1 3.58Å; R288-E291 IonicContact CZ-OE2 3.78Å; R288-E291 VanDerWaalsContact NE-CD 3.32Å; R288-E291 IonicContact NE-OE1 2.77Å; R288-E291 PolarHBondContact NE-OE1 2.97Å; R288-E291 IonicContact NE-OE2 3.18Å; R288-E291 PolarHBondContact NE-OE2 3.14Å; R288-E291 IonicContact NH2-OE1 3.8Å; R288-E291 PolarHBondContact NH2-OE1 3.04Å; R288-E291 IonicContact NH2-OE2 3.92Å; R288-E291 PolarHBondContact NH2-OE2 3.07Å; R288-E291 PolarHBondContact O-N 3.34Å; A289-E291 VanDerWaalsContact C-N 3.25Å; A289-E291 PolarHBondContact O-N 3.16Å
292L93.9Very high91.5Very high0 Ų071.9 Ų71.90%036%0.355CS..Hα-helixtrans-83.9-26.5-173.9-62-179.5000113.2V228 R231 A232 L235 L237 M253 M285 R288 A289V228-L292 HydrophobicContact CG1-CB 4.17Å; V228-L292 HydrophobicContact CG1-CD1 4.31Å; V228-L292 HydrophobicContact CG2-CB 4.32Å; V228-L292 WeakPolarHBondContact CG2-O 3.23Å; R231-L292 HydrophobicContact CB-CD2 3.74Å; R231-L292 WeakPolarHBondContact CD-O 3.48Å; A232-L292 HydrophobicContact CB-CD1 4.42Å; A232-L292 HydrophobicContact CB-CD2 4.04Å; L235-L292 HydrophobicContact CD1-CD2 4.01Å; L237-L292 HydrophobicContact CD1-CD1 4.36Å; L237-L292 HydrophobicContact CD1-CD2 4.07Å; M253-L292 HydrophobicContact SD-CD1 3.99Å; M285-L292 HydrophobicContact CB-CD1 3.68Å; M285-L292 HydrophobicContact CG-CD1 4.21Å; M285-L292 WeakPolarHBondContact O-CD1 3.36Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; A289-L292 PolarHBondContact O-N 3.41Å; A289-L292 VanDerWaalsContact O-N 3.11Å
293F93.7Very high91.1Very high8 Ų873 Ų734%0.03536%0.362CS..SBendtrans-81.9141.2-177.9-72.1-78.3000112.6V224 V228 R231 M253 A257 A289 L299 P303 L306V224-F293 HydrophobicContact CG1-CD1 3.66Å; V224-F293 HydrophobicContact CG1-CE1 3.87Å; V228-F293 HydrophobicContact CG2-CD1 3.93Å; V228-F293 HydrophobicContact CG2-CE1 4.01Å; V228-F293 HydrophobicContact CG2-CG 4.45Å; R231-F293 PolarHBondContact NH1-O 3.15Å; M253-F293 HydrophobicContact CG-CE1 4.45Å; M253-F293 HydrophobicContact CG-CE2 4.07Å; M253-F293 HydrophobicContact CG-CZ 3.56Å; M253-F293 HydrophobicContact SD-CE2 4.27Å; M253-F293 HydrophobicContact SD-CZ 4.27Å; A257-F293 HydrophobicContact CB-CD1 4.49Å; A257-F293 HydrophobicContact CB-CE1 3.5Å; A257-F293 HydrophobicContact CB-CE2 4.38Å; A257-F293 HydrophobicContact CB-CZ 3.42Å; A257-F293 VanDerWaalsContact CB-CZ 3.42Å; A289-F293 WeakPolarHBondContact O-CD2 3.46Å; F293-L299 HydrophobicContact CB-CD1 3.99Å; F293-L299 HydrophobicContact CD1-CD1 4Å; F293-L299 HydrophobicContact CD1-CD2 3.74Å; F293-L299 HydrophobicContact CD2-CD1 4.04Å; F293-L299 HydrophobicContact CE1-CD2 4.1Å; F293-L299 HydrophobicContact CG-CD1 3.74Å; F293-L299 HydrophobicContact CG-CD2 4.31Å; F293-P303 HydrophobicContact CD2-CB 4.28Å; F293-P303 HydrophobicContact CD2-CG 3.84Å; F293-P303 HydrophobicContact CE2-CB 4.4Å; F293-P303 HydrophobicContact CE2-CG 4.3Å; F293-L306 HydrophobicContact CE2-CD1 3.81Å; F293-L306 HydrophobicContact CZ-CD1 4.09Å
294P90.2Very high90.7Very high13 Ų1372.4 Ų72.48%0.08437%0.37CS..  trans-62.2139.6170.125.3-31.6000111.4V224 V227 D296 V297V224-P294 HydrophobicContact CG1-CG 4.41Å; V224-P294 HydrophobicContact CG2-CG 4.05Å; V227-P294 HydrophobicContact CG1-CB 4.31Å; V227-P294 HydrophobicContact CG1-CG 4.47Å; P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 VanDerWaalsContact CB-OD1 3.3Å; P294-D296 WeakPolarHBondContact CB-OD1 3.23Å; P294-D296 PolarHBondContact O-N 3.16Å; P294-V297 HydrophobicContact CB-CG2 4.08Å; P294-V297 HydrophobicContact CG-CB 4.02Å; P294-V297 HydrophobicContact CG-CG2 3.52Å
295E87.2Confident90.5Very high186 Ų18676.9 Ų76.987%0.86939%0.386SS*.THydrogen-bonded Turntrans-71.8-25.5-175.9-63.7177.8-174.400112.7V297E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 3.16Å
296D87.8Confident90.2Very high144 Ų14477.3 Ų77.377%0.7739%0.388SS*.THydrogen-bonded Turntrans-80.8-3.4-177.259-55.6000113.9P294P294-D296 VanDerWaalsContact C-N 3.3Å; P294-D296 VanDerWaalsContact CB-OD1 3.3Å; P294-D296 WeakPolarHBondContact CB-OD1 3.23Å; P294-D296 PolarHBondContact O-N 3.16Å
297V86.4Confident89.9Confident44 Ų4477.2 Ų77.227%0.26739%0.391SS..SBendtrans-103.5126.9-174.3-179.80000111.8V224 L258 P294 E295 L299V224-V297 HydrophobicContact CG2-CB 4.38Å; V224-V297 HydrophobicContact CG2-CG1 3.94Å; V224-V297 HydrophobicContact CG2-CG2 3.97Å; L258-V297 HydrophobicContact CD2-CG1 3.77Å; P294-V297 HydrophobicContact CB-CG2 4.08Å; P294-V297 HydrophobicContact CG-CB 4.02Å; P294-V297 HydrophobicContact CG-CG2 3.52Å; E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 3.16Å; V297-L299 HydrophobicContact CG1-CD2 4.1Å; V297-L299 PolarHBondContact O-N 3.36Å; V297-L299 VanDerWaalsContact O-N 3.13Å
298R88.2Confident89.5Confident239 Ų23979.2 Ų79.290%0.90239%0.394SS*.  trans-74.1101.7170.4-65.7-176.7-176176.11.1109.9
299L90.2Very high89.3Confident48 Ų4878.8 Ų78.825%0.25140%0.397SS..  trans-76.9139.2173.1-54.6176.9000110.1A257 L258 F293 V297 I301 P303A257-L299 HydrophobicContact CB-CD2 4.06Å; L258-L299 HydrophobicContact CD2-CD2 4.21Å; F293-L299 HydrophobicContact CB-CD1 3.99Å; F293-L299 HydrophobicContact CD1-CD1 4Å; F293-L299 HydrophobicContact CD1-CD2 3.74Å; F293-L299 HydrophobicContact CD2-CD1 4.04Å; F293-L299 HydrophobicContact CE1-CD2 4.1Å; F293-L299 HydrophobicContact CG-CD1 3.74Å; F293-L299 HydrophobicContact CG-CD2 4.31Å; V297-L299 HydrophobicContact CG1-CD2 4.1Å; V297-L299 PolarHBondContact O-N 3.36Å; V297-L299 VanDerWaalsContact O-N 3.13Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 WeakPolarHBondContact CB-O 3.42Å; L299-P303 HydrophobicContact CD1-CG 3.98Å
300A91.6Very high89.1Confident72 Ų7282.6 Ų82.660%0.59542%0.416SS*.SBendtrans-73.7-29.6173.100000111.6A257A257-A300 WeakPolarHBondContact O-CA 3.43Å; A257-A300 WeakPolarHBondContact O-CB 3.36Å; A257-A300 PolarHBondContact O-N 2.8Å
301I90.5Very high89Confident19 Ų1983.1 Ų83.110%0.09741%0.41CS..SBendtrans-127.4132.4179.1-58.6176000107.8Y256 A257 L299 E305 L306Y256-I301 HydrophobicContact CD1-CD1 3.73Å; Y256-I301 HydrophobicContact CE1-CD1 3.38Å; Y256-I301 HydrophobicContact CE1-CG2 4.4Å; A257-I301 PolarHBondContact O-N 3.41Å; A257-I301 VanDerWaalsContact O-N 3.11Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 WeakPolarHBondContact CB-O 3.42Å; I301-E305 HydrophobicContact CG2-CB 3.63Å; I301-L306 HydrophobicContact CG2-CD2 4.39Å
302R88.3Confident88.8Confident175 Ų17583.1 Ų83.166%0.6641%0.411SS*.  trans-67.9149.9179.3-69.9-178.6172.6-174.7-1.1110.4D304 E305R302-D304 PolarHBondContact O-N 2.87Å; R302-D304 VanDerWaalsContact O-N 3.11Å; R302-E305 HydrophobicContact CB-CG 4.32Å; R302-E305 PolarHBondContact O-N 3.25Å
303P87.5Confident88.5Confident24 Ų2488.3 Ų88.316%0.15644%0.437CS..G310 helixtrans-53.6-33.5178.8-27.836.2000113.9A289 F293 L299 E305 L306A289-P303 HydrophobicContact CB-CB 4.06Å; F293-P303 HydrophobicContact CD2-CB 4.28Å; F293-P303 HydrophobicContact CD2-CG 3.84Å; F293-P303 HydrophobicContact CE2-CB 4.4Å; F293-P303 HydrophobicContact CE2-CG 4.3Å; L299-P303 HydrophobicContact CD1-CG 3.98Å; P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.08Å; P303-L306 WeakPolarHBondContact O-CB 3.28Å; P303-L306 WeakPolarHBondContact O-CG 3.49Å; P303-L306 PolarHBondContact O-N 2.95Å
304D86.1Confident88.1Confident139 Ų13993.7 Ų93.774%0.74346%0.464SS*.G310 helixtrans-72.5-19.9179.1-52.1-41.4000113.6R302R302-D304 PolarHBondContact O-N 2.87Å; R302-D304 VanDerWaalsContact O-N 3.11Å
305E89.6Confident88Confident125 Ų12599.4 Ų99.458%0.58449%0.491SS*.G310 helixtrans-96.44.8-179.6-65.2171.9-177.400112.3I301 R302 P303I301-E305 HydrophobicContact CG2-CB 3.63Å; R302-E305 HydrophobicContact CB-CG 4.32Å; R302-E305 PolarHBondContact O-N 3.25Å; P303-E305 VanDerWaalsContact C-N 3.29Å; P303-E305 PolarHBondContact O-N 3.08Å
306L89.9Confident88Confident9 Ų992.8 Ų92.85%0.04746%0.461CS..  trans-69.6137.5177-70.4177.6000111.1M253 Y256 A257 H286 A289 F293 I301 P303M253-L306 HydrophobicContact CG-CD1 4.21Å; Y256-L306 HydrophobicContact CD1-CD2 3.47Å; Y256-L306 VanDerWaalsContact CD1-CD2 3.47Å; Y256-L306 HydrophobicContact CE1-CD2 4.16Å; Y256-L306 HydrophobicContact CG-CD2 4.31Å; A257-L306 HydrophobicContact CB-CD2 4.24Å; H286-L306 PolarHBondContact NE2-O 3.08Å; A289-L306 HydrophobicContact CB-CD1 4.06Å; F293-L306 HydrophobicContact CE2-CD1 3.81Å; F293-L306 HydrophobicContact CZ-CD1 4.09Å; I301-L306 HydrophobicContact CG2-CD2 4.39Å; P303-L306 WeakPolarHBondContact O-CB 3.28Å; P303-L306 WeakPolarHBondContact O-CG 3.49Å; P303-L306 PolarHBondContact O-N 2.95Å
307P88Confident88Confident37 Ų3788.5 Ų88.524%0.2444%0.436CS..  trans-65.7161-18030.6-38.1000111.3Y256 Y282 H286Y256-P307 HydrophobicContact CD1-CG 4.33Å; Y256-P307 HydrophobicContact CD2-CG 4.08Å; Y256-P307 HydrophobicContact CE1-CG 3.89Å; Y256-P307 HydrophobicContact CE2-CG 3.63Å; Y256-P307 HydrophobicContact CG-CG 4.4Å; Y282-P307 WeakPolarHBondContact CE1-O 3.26Å; Y282-P307 PolarHBondContact OH-O 3.36Å; H286-P307 PolarHBondContact CD2-O 3.3Å; H286-P307 PolarHBondContact NE2-O 3.37Å
308L80.3Confident88.2Confident131 Ų13192.5 Ų92.569%0.68645%0.451SS*.  trans-92.70172.8-77.2168.2000113.7H286H286-L308 VanDerWaalsContact CE1-CD2 3.48Å; H286-L308 WeakPolarHBondContact CE1-CD2 3.46Å; H286-L308 WeakPolarHBondContact ND1-CD2 3.43Å

Retrieved 308 of 308 residues in 124.1 ms (Link to these results)