A0A5K4EGT1_SCHMA Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A5K4EGT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 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
1M46.4Very low81.1Confident205 Ų205103.4 Ų103.4100%1.0148%0.484SS*.  0136.60-70.9176.9-174.200107.3N3M1-N3 PolarHBondContact O-N 3.04Å
2R60.3Low81.8Confident115 Ų115103.8 Ų103.843%0.43449%0.485SS..  trans-59.9133.5174.7-71.9175.2171.6170.5-4108.1F4 D237 E239R2-F4 HydrophobicContact CB-CD2 3.9Å; R2-F4 HydrophobicContact CB-CE1 4.48Å; R2-F4 HydrophobicContact CB-CE2 3.53Å; R2-F4 HydrophobicContact CB-CZ 3.86Å; R2-F4 HydrophobicContact CG-CE2 4.34Å; R2-F4 HydrophobicContact CG-CZ 4.39Å; R2-F4 PolarHBondContact O-N 3.39Å; R2-D237 IonicContact CZ-OD1 2.76Å; R2-D237 IonicContact NH1-OD1 3.34Å; R2-D237 PolarHBondContact NH1-OD1 3.12Å; R2-D237 IonicContact NH2-OD1 2.63Å; R2-D237 PolarHBondContact NH2-OD1 3.05Å; R2-E239 IonicContact CZ-OE1 3.35Å; R2-E239 IonicContact CZ-OE2 3.51Å; R2-E239 IonicContact NE-OE1 3.02Å; R2-E239 PolarHBondContact NE-OE1 3.31Å; R2-E239 VanDerWaalsContact NE-OE1 3.16Å; R2-E239 IonicContact NH2-OE1 2.89Å; R2-E239 PolarHBondContact NH2-OE1 3.29Å; R2-E239 IonicContact NH2-OE2 3.65Å; R2-E239 PolarHBondContact NH2-OE2 2.83Å
3N72.8Confident82.5Confident172 Ų17297.6 Ų97.692%0.9246%0.456SS*.  trans-7967.5-178.6-88.9-18.8000110.4M1M1-N3 PolarHBondContact O-N 3.04Å
4F84.6Confident83.3Confident36 Ų3693.6 Ų93.616%0.15844%0.435CS..PPolyproline II helixtrans-68.1150.3171.8-65.4-61.9000110.9R2 R6 M238 H279 E282R2-F4 HydrophobicContact CB-CD2 3.9Å; R2-F4 HydrophobicContact CB-CE1 4.48Å; R2-F4 HydrophobicContact CB-CE2 3.53Å; R2-F4 HydrophobicContact CB-CZ 3.86Å; R2-F4 HydrophobicContact CG-CE2 4.34Å; R2-F4 HydrophobicContact CG-CZ 4.39Å; R2-F4 PolarHBondContact O-N 3.39Å; F4-R6 PolarHBondContact O-N 3.3Å; F4-M238 HydrophobicContact CE1-CB 4.45Å; F4-M238 HydrophobicContact CE1-CG 3.83Å; F4-M238 HydrophobicContact CZ-CG 4.49Å; F4-H279 HydrophobicContact CD1-CB 4.18Å; F4-H279 AromaticContact CD1-CD2 3.5Å; F4-H279 VanDerWaalsContact CD1-CD2 3.5Å; F4-H279 WeakPolarHBondContact CD1-CD2 3.42Å; F4-H279 AromaticContact CD1-CG 3.77Å; F4-H279 AromaticContact CD2-CD2 3.53Å; F4-H279 AromaticContact CD2-CE1 3.93Å; F4-H279 AromaticContact CD2-NE2 3.21Å; F4-H279 WeakPolarHBondContact CD2-NE2 3.46Å; F4-H279 HydrophobicContact CE1-CB 4.26Å; F4-H279 AromaticContact CE1-CD2 3.84Å; F4-H279 AromaticContact CE1-CG 3.77Å; F4-H279 AromaticContact CE1-ND1 3.98Å; F4-H279 AromaticContact CE2-CD2 3.84Å; F4-H279 AromaticContact CE2-CE1 3.52Å; F4-H279 AromaticContact CE2-NE2 3.3Å; F4-H279 VanDerWaalsContact CE2-NE2 3.3Å; F4-H279 WeakPolarHBondContact CE2-NE2 3.48Å; F4-H279 AromaticContact CG-CD2 3.32Å; F4-H279 WeakPolarHBondContact CG-CD2 3.29Å; F4-H279 AromaticContact CG-NE2 3.58Å; F4-H279 AromaticContact CZ-CD2 3.99Å; F4-H279 AromaticContact CZ-CE1 3.65Å; F4-H279 AromaticContact CZ-ND1 3.83Å; F4-H279 AromaticContact CZ-NE2 3.76Å; F4-E282 WeakPolarHBondContact CA-OE1 3.26Å; F4-E282 HydrophobicContact CD1-CG 3.9Å; F4-E282 HydrophobicContact CE1-CG 4.35Å
5R87.2Confident84.1Confident141 Ų14191.9 Ų91.953%0.53243%0.427SS..PPolyproline II helixtrans-63.6134.9179.6-170.2174.5-178.5179.2-3110.1P281 E282 F316R5-P281 HydrophobicContact CB-CB 3.96Å; R5-P281 HydrophobicContact CB-CG 3.98Å; R5-P281 HydrophobicContact CG-CB 4.37Å; R5-P281 HydrophobicContact CG-CG 4.28Å; R5-E282 PolarHBondContact N-OE1 3.45Å; R5-F316 WeakPolarHBondContact O-CE1 3.26Å
6R91.1Very high84.7Confident149 Ų14986.6 Ų86.656%0.56240%0.404SS*.PPolyproline II helixtrans-70.3155.7178-65.3-172.7-176.5-170.90.4111.7F4 G10 E11F4-R6 PolarHBondContact O-N 3.3Å; R6-G10 VanDerWaalsContact CD-O 3.31Å; R6-G10 WeakPolarHBondContact CD-O 3.38Å; R6-G10 PolarHBondContact NH1-O 3.45Å; R6-G10 VanDerWaalsContact NH1-O 3.14Å; R6-E11 WeakPolarHBondContact CB-O 3.41Å; R6-E11 WeakPolarHBondContact CD-O 3.44Å
7P92Very high85.3Confident4 Ų485.9 Ų85.93%0.02640%0.399CS..PPolyproline II helixtrans-59.6165.2169.2-17.432.5000111.1T9 G10 E11 F13 Y315P7-T9 PolarHBondContact O-N 3Å; P7-G10 PolarHBondContact O-N 2.97Å; P7-E11 WeakPolarHBondContact CD-O 3.49Å; P7-F13 HydrophobicContact CG-CD2 4.25Å; P7-Y315 HydrophobicContact CB-CD1 4.16Å; P7-Y315 HydrophobicContact CB-CD2 4.43Å; P7-Y315 HydrophobicContact CB-CE1 3.7Å; P7-Y315 HydrophobicContact CB-CE2 4.01Å; P7-Y315 HydrophobicContact CG-CD1 4.42Å; P7-Y315 HydrophobicContact CG-CE1 3.51Å; P7-Y315 HydrophobicContact CG-CE2 4.19Å; P7-Y315 WeakPolarHBondContact CG-OH 3.44Å
8R91.3Very high85.8Confident141 Ų14182.4 Ų82.453%0.53238%0.383SS..THydrogen-bonded Turntrans-56.4-25.7177.3-172.5177.8-179.3-175.6-1.1113.3G10 D314 Y315R8-G10 PolarHBondContact O-N 2.81Å; R8-D314 IonicContact NH1-OD1 3.74Å; R8-Y315 WeakPolarHBondContact CB-O 3.5Å; R8-Y315 PolarHBondContact N-O 3.32Å
9T88.8Confident86.1Confident69 Ų6980.7 Ų80.742%0.42339%0.39SS..THydrogen-bonded Turntrans-69.7-15.1176.661.50000113.6P7 E11P7-T9 PolarHBondContact O-N 3Å; T9-E11 PolarHBondContact O-N 3Å; T9-E11 PolarHBondContact OG1-OE2 2.96Å; T9-E11 VanDerWaalsContact OG1-OE2 3.13Å
10G89Confident86.3Confident41 Ų4178 Ų7842%0.42338%0.382SS..  trans79.7-5.5-176.800000114.8R6 P7 R8R6-G10 VanDerWaalsContact CD-O 3.31Å; R6-G10 WeakPolarHBondContact CD-O 3.38Å; R6-G10 PolarHBondContact NH1-O 3.45Å; R6-G10 VanDerWaalsContact NH1-O 3.14Å; P7-G10 PolarHBondContact O-N 2.97Å; R8-G10 PolarHBondContact O-N 2.81Å
11E88.9Confident86.6Confident64 Ų6475.2 Ų75.230%0.29937%0.37SS..  trans-64.1158.9174.8-65.4171.713800111.3R6 P7 T9 R400 R417R6-E11 WeakPolarHBondContact CB-O 3.41Å; R6-E11 WeakPolarHBondContact CD-O 3.44Å; P7-E11 WeakPolarHBondContact CD-O 3.49Å; T9-E11 PolarHBondContact O-N 3Å; T9-E11 PolarHBondContact OG1-OE2 2.96Å; T9-E11 VanDerWaalsContact OG1-OE2 3.13Å; E11-R400 IonicContact OE1-CZ 2.72Å; E11-R400 IonicContact OE1-NH1 2.67Å; E11-R400 PolarHBondContact OE1-NH1 3.28Å; E11-R400 IonicContact OE1-NH2 3.67Å; E11-R400 IonicContact OE2-CZ 3.29Å; E11-R400 IonicContact OE2-NH1 3.8Å; E11-R400 IonicContact OE2-NH2 2.76Å; E11-R400 PolarHBondContact OE2-NH2 2.87Å; E11-R417 IonicContact OE1-NH1 3.65Å; E11-R417 IonicContact OE2-CZ 3.25Å; E11-R417 IonicContact OE2-NH1 3.72Å; E11-R417 IonicContact OE2-NH2 3.72Å; E11-R417 PolarHBondContact OE2-NH2 3.43Å
12E89.3Confident88.8Confident108 Ų10872.2 Ų72.251%0.50536%0.357SS..  trans-67.3135.9175.7-171.7174.5-169.800111.3Y14E12-Y14 PolarHBondContact O-N 2.91Å; E12-Y14 VanDerWaalsContact O-N 3.09Å
13F91.4Very high90.4Very high24 Ų2470.5 Ų70.511%0.10536%0.362CS..  trans-77.393.4173.8-172-102.2000109.4P7 I277 H279 Y315 F316 N416P7-F13 HydrophobicContact CG-CD2 4.25Å; F13-I277 HydrophobicContact CE2-CB 4.07Å; F13-I277 HydrophobicContact CE2-CG2 3.92Å; F13-I277 HydrophobicContact CZ-CB 3.95Å; F13-I277 HydrophobicContact CZ-CG2 4.1Å; F13-H279 AromaticContact CD1-NE2 3.97Å; F13-H279 AromaticContact CE1-CD2 3.58Å; F13-H279 AromaticContact CE1-NE2 3.29Å; F13-H279 VanDerWaalsContact CE1-NE2 3.29Å; F13-H279 WeakPolarHBondContact CE1-NE2 3.02Å; F13-Y315 HydrophobicContact CD2-CE1 4.1Å; F13-Y315 AromaticContact CE2-CE1 3.96Å; F13-Y315 HydrophobicContact CE2-CE1 3.96Å; F13-F316 HydrophobicContact CD2-CE1 4.08Å; F13-F316 HydrophobicContact CD2-CZ 4.06Å; F13-F316 HydrophobicContact CE2-CE1 4.09Å; F13-F316 AromaticContact CE2-CZ 3.59Å; F13-F316 HydrophobicContact CE2-CZ 3.59Å; F13-F316 HydrophobicContact CZ-CZ 4.16Å; F13-N416 WeakPolarHBondContact CE1-ND2 3.34Å; F13-N416 WeakPolarHBondContact CZ-ND2 3.5Å
14Y93.9Very high91.4Very high42 Ų4262.7 Ų62.717%0.16532%0.321CS..  trans-92.7129.1-177.6178.6-89.7000112.2E12 N416 R417 P498 W500E12-Y14 PolarHBondContact O-N 2.91Å; E12-Y14 VanDerWaalsContact O-N 3.09Å; Y14-N416 VanDerWaalsContact O-CA 3.29Å; Y14-N416 WeakPolarHBondContact O-CA 3.06Å; Y14-N416 PolarHBondContact O-ND2 2.78Å; Y14-R417 HydrophobicContact CD1-CB 4.18Å; Y14-R417 PolarHBondContact O-N 3.45Å; Y14-R417 VanDerWaalsContact O-N 3.14Å; Y14-P498 HydrophobicContact CE1-CG 4.17Å; Y14-P498 HydrophobicContact CE2-CB 3.86Å; Y14-P498 HydrophobicContact CE2-CG 3.87Å; Y14-P498 VanDerWaalsContact CZ-CG 3.46Å; Y14-P498 WeakPolarHBondContact OH-CG 3.36Å; Y14-W500 AromaticContact CD1-CE2 3.88Å; Y14-W500 HydrophobicContact CD1-CZ2 4.08Å; Y14-W500 AromaticContact CD1-NE1 3.18Å; Y14-W500 AromaticContact CD2-CD1 3.88Å; Y14-W500 AromaticContact CD2-NE1 3.52Å; Y14-W500 HydrophobicContact CE1-CZ2 4.07Å; Y14-W500 AromaticContact CE1-NE1 3.51Å; Y14-W500 AromaticContact CE2-NE1 3.82Å; Y14-W500 AromaticContact CG-CD1 3.77Å; Y14-W500 AromaticContact CG-NE1 3.2Å; Y14-W500 AromaticContact CZ-NE1 3.84Å
15E94.1Very high91.9Very high68 Ų6861.5 Ų61.532%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-132.3151.2172.865.5-176.3-17300111.7F17 H279 N416E15-F17 HydrophobicContact CB-CE2 3.86Å; E15-F17 HydrophobicContact CB-CZ 4.49Å; E15-F17 HydrophobicContact CG-CE2 4.11Å; E15-H279 IonicContact OE2-CE1 2.85Å; E15-H279 IonicContact OE2-NE2 3.2Å; E15-N416 WeakPolarHBondContact CB-ND2 3.27Å
16S94.8Very high92.3Very high7 Ų758.9 Ų58.95%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-142.2128.1179.21660000110.6V413 Y414 G415S16-V413 PolarHBondContact OG-O 3.41Å; S16-Y414 CarbonylContact O-C 3.49Å; S16-Y414 VanDerWaalsContact O-CA 3.29Å; S16-Y414 WeakPolarHBondContact O-CA 3.39Å; S16-G415 PolarHBondContact N-O 2.89Å; S16-G415 PolarHBondContact O-N 3.5Å
17F94.5Very high92.6Very high74 Ų7456 Ų5633%0.32531%0.313SS..  trans-140.550.5176.8-56.2-74.5000110.6E15 G19 E274 Y414E15-F17 HydrophobicContact CB-CE2 3.86Å; E15-F17 HydrophobicContact CB-CZ 4.49Å; E15-F17 HydrophobicContact CG-CE2 4.11Å; F17-G19 PolarHBondContact O-N 3.14Å; F17-E274 HydrophobicContact CE1-CB 4.24Å; F17-Y414 HydrophobicContact CD1-CD2 4Å; F17-Y414 HydrophobicContact CD1-CE2 4.46Å; F17-Y414 HydrophobicContact CD1-CG 4.12Å
18E94.8Very high92.8Very high23 Ų2355.8 Ų55.811%0.10731%0.311CS..PPolyproline II helixtrans-56.7128.1-178.7-172.3-179.8-176.100111.6I412 Y414 S493 K494 Q495E18-I412 HydrophobicContact CB-CG2 4.11Å; E18-I412 HydrophobicContact CG-CG1 4.5Å; E18-I412 WeakPolarHBondContact O-CG2 3.41Å; E18-Y414 WeakPolarHBondContact O-CE1 3.45Å; E18-Y414 PolarHBondContact O-OH 2.89Å; E18-S493 WeakPolarHBondContact OE2-CA 3.36Å; E18-S493 VanDerWaalsContact OE2-CB 3.25Å; E18-S493 WeakPolarHBondContact OE2-CB 3.41Å; E18-S493 PolarHBondContact OE2-OG 2.9Å; E18-K494 PolarHBondContact OE1-N 3.05Å; E18-Q495 HydrophobicContact CG-CG 4.2Å
19G91.4Very high93Very high51 Ų5154.9 Ų54.953%0.52631%0.309SS..PPolyproline II helixtrans-67.2147.8174.800000111.7F17F17-G19 PolarHBondContact O-N 3.14Å
20A89.7Confident93.4Very high26 Ų2657 Ų5722%0.21531%0.312CS..PPolyproline II helixtrans-59141.4171.400000110.5
21P92.6Very high93.7Very high20 Ų2056.7 Ų56.713%0.1330%0.303CS..PPolyproline II helixtrans-55.1143.8174.1-24.933.4000111.3S23 T24 A25P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 2.73Å; P21-T24 WeakPolarHBondContact O-CA 3.35Å; P21-T24 WeakPolarHBondContact O-CB 3.4Å; P21-T24 PolarHBondContact O-N 3.3Å; P21-A25 PolarHBondContact O-N 2.64Å
22L93.4Very high94Very high142 Ų14254.3 Ų54.374%0.74329%0.292SS*.Hα-helixtrans-53.1-42.7-176.7-179.562.8000112.7T24 A25 V26L22-T24 PolarHBondContact O-N 3.5Å; L22-A25 PolarHBondContact O-N 2.97Å; L22-V26 HydrophobicContact CD1-CG2 4.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.07Å; L22-V26 PolarHBondContact O-N 3.06Å
23S93.3Very high94.3Very high78 Ų7853.7 Ų53.755%0.54529%0.292SS..Hα-helixtrans-59.7-45.5176.251.90000112.3P21 A25 V26 L27P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 2.73Å; S23-A25 VanDerWaalsContact C-N 3.33Å; S23-A25 PolarHBondContact O-N 3.44Å; S23-V26 PolarHBondContact O-N 3.3Å; S23-L27 WeakPolarHBondContact O-CB 3.3Å; S23-L27 VanDerWaalsContact O-CG 3.29Å; S23-L27 WeakPolarHBondContact O-CG 3.43Å; S23-L27 PolarHBondContact O-N 3.02Å
24T94Very high94.6Very high8 Ų855.8 Ų55.85%0.04930%0.303CS..Hα-helixtrans-63-39.2175.9-56.40000111.5P21 L22 T28 C427 M428 Y492P21-T24 WeakPolarHBondContact O-CA 3.35Å; P21-T24 WeakPolarHBondContact O-CB 3.4Å; P21-T24 PolarHBondContact O-N 3.3Å; L22-T24 PolarHBondContact O-N 3.5Å; T24-T28 WeakPolarHBondContact O-CB 3.33Å; T24-T28 PolarHBondContact O-N 2.73Å; T24-T28 PolarHBondContact O-OG1 3.09Å; T24-C427 HydrophobicContact CG2-CB 3.52Å; T24-M428 HydrophobicContact CG2-CE 4.08Å; T24-Y492 HydrophobicContact CG2-CD2 4.46Å; T24-Y492 HydrophobicContact CG2-CE1 4.08Å; T24-Y492 HydrophobicContact CG2-CE2 3.91Å
25A94.7Very high94.6Very high11 Ų1156.6 Ų56.69%0.09131%0.31CS..Hα-helixtrans-64.9-48.8177.400000111.9P21 L22 S23 L27 T28 Y29 L457P21-A25 PolarHBondContact O-N 2.64Å; L22-A25 PolarHBondContact O-N 2.97Å; S23-A25 VanDerWaalsContact C-N 3.33Å; S23-A25 PolarHBondContact O-N 3.44Å; A25-L27 PolarHBondContact O-N 3.2Å; A25-T28 WeakPolarHBondContact O-CB 3.34Å; A25-T28 PolarHBondContact O-N 3.36Å; A25-T28 VanDerWaalsContact O-N 3.15Å; A25-Y29 WeakPolarHBondContact O-CD2 3.23Å; A25-Y29 PolarHBondContact O-N 3.43Å; A25-L457 HydrophobicContact CB-CD1 4Å; A25-L457 HydrophobicContact CB-CD2 3.84Å
26V96.3Very high94.6Very high87 Ų8755 Ų5553%0.52730%0.304SS..Hα-helixtrans-58.4-48.7176.6171.50000111L22 S23 T28 Y29 F30L22-V26 HydrophobicContact CD1-CG2 4.32Å; L22-V26 WeakPolarHBondContact O-CG2 3.07Å; L22-V26 PolarHBondContact O-N 3.06Å; S23-V26 PolarHBondContact O-N 3.3Å; V26-T28 VanDerWaalsContact C-N 3.26Å; V26-T28 PolarHBondContact O-N 3.01Å; V26-Y29 PolarHBondContact O-N 2.93Å; V26-F30 WeakPolarHBondContact O-CB 3.39Å; V26-F30 PolarHBondContact O-N 3.38Å
27L95.9Very high94.7Very high88 Ų8859.6 Ų59.646%0.46133%0.327SS..Hα-helixtrans-63.5-32178-72.9173.8000112.7S23 A25 S31 M428S23-L27 WeakPolarHBondContact O-CB 3.3Å; S23-L27 VanDerWaalsContact O-CG 3.29Å; S23-L27 WeakPolarHBondContact O-CG 3.43Å; S23-L27 PolarHBondContact O-N 3.02Å; A25-L27 PolarHBondContact O-N 3.2Å; L27-S31 WeakPolarHBondContact O-CB 3.48Å; L27-S31 PolarHBondContact O-N 3.17Å; L27-S31 PolarHBondContact O-OG 2.85Å; L27-M428 HydrophobicContact CB-CE 3.48Å; L27-M428 VanDerWaalsContact CB-CE 3.48Å; L27-M428 HydrophobicContact CB-SD 4.49Å; L27-M428 HydrophobicContact CD1-CE 3.72Å; L27-M428 HydrophobicContact CG-CE 4.26Å
28T96.2Very high94.8Very high0 Ų060 Ų600%033%0.332CS..Hα-helixtrans-67.4-48.2175.5-61.80000111.2T24 A25 V26 F30 S31 F32 M428 L456 L457T24-T28 WeakPolarHBondContact O-CB 3.33Å; T24-T28 PolarHBondContact O-N 2.73Å; T24-T28 PolarHBondContact O-OG1 3.09Å; A25-T28 WeakPolarHBondContact O-CB 3.34Å; A25-T28 PolarHBondContact O-N 3.36Å; A25-T28 VanDerWaalsContact O-N 3.15Å; V26-T28 VanDerWaalsContact C-N 3.26Å; V26-T28 PolarHBondContact O-N 3.01Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-F30 PolarHBondContact O-N 2.68Å; T28-S31 WeakPolarHBondContact O-CB 3.2Å; T28-S31 PolarHBondContact O-N 3.41Å; T28-F32 HydrophobicContact CG2-CD2 4.07Å; T28-F32 HydrophobicContact CG2-CE2 3.99Å; T28-F32 WeakPolarHBondContact O-CD2 3.46Å; T28-F32 PolarHBondContact O-N 2.84Å; T28-M428 WeakPolarHBondContact OG1-CG 3.46Å; T28-M428 PolarHBondContact OG1-N 2.72Å; T28-M428 VanDerWaalsContact OG1-N 3.16Å; T28-L456 WeakPolarHBondContact CG2-O 3.36Å; T28-L457 HydrophobicContact CG2-CD2 3.99Å
29Y96.8Very high94.8Very high121 Ų12159 Ų5948%0.47533%0.327SS..Hα-helixtrans-61.3-43.5175.1-72.9-63.1000112A25 V26 S31 F32 L33 L456 L457A25-Y29 WeakPolarHBondContact O-CD2 3.23Å; A25-Y29 PolarHBondContact O-N 3.43Å; V26-Y29 PolarHBondContact O-N 2.93Å; Y29-S31 VanDerWaalsContact C-N 3.3Å; Y29-S31 PolarHBondContact O-N 2.91Å; Y29-F32 PolarHBondContact O-N 3.14Å; Y29-L33 PolarHBondContact O-N 2.99Å; Y29-L456 HydrophobicContact CD1-CD1 4.04Å; Y29-L456 HydrophobicContact CE1-CB 4.35Å; Y29-L456 HydrophobicContact CE1-CD1 3.98Å; Y29-L457 HydrophobicContact CD2-CD2 4.1Å; Y29-L457 HydrophobicContact CE2-CD1 3.74Å; Y29-L457 HydrophobicContact CE2-CD2 3.69Å; Y29-L457 HydrophobicContact CE2-CG 3.9Å; Y29-L457 WeakPolarHBondContact OH-CD1 3.43Å
30F96.5Very high95Very high114 Ų11463.2 Ų63.250%0.533%0.328SS..Hα-helixtrans-60.9-39.6176.5-172.5-114.6000112V26 T28 L33 I34V26-F30 WeakPolarHBondContact O-CB 3.39Å; V26-F30 PolarHBondContact O-N 3.38Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-F30 PolarHBondContact O-N 2.68Å; F30-L33 WeakPolarHBondContact O-CB 3.35Å; F30-L33 PolarHBondContact O-N 2.9Å; F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CD1 3.28Å; F30-I34 HydrophobicContact CE1-CG1 4.26Å; F30-I34 HydrophobicContact CE2-CD1 4.31Å; F30-I34 HydrophobicContact CE2-CG1 4.49Å; F30-I34 HydrophobicContact CG-CD1 4.38Å; F30-I34 HydrophobicContact CZ-CD1 3.63Å; F30-I34 HydrophobicContact CZ-CG1 4.23Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 2.87Å
31S95.7Very high95.2Very high34 Ų3466.2 Ų66.224%0.23834%0.34CS..Hα-helixtrans-61.1-46.2174.4-61.40000111.8L27 T28 Y29 L33 I34 L35L27-S31 WeakPolarHBondContact O-CB 3.48Å; L27-S31 PolarHBondContact O-N 3.17Å; L27-S31 PolarHBondContact O-OG 2.85Å; T28-S31 WeakPolarHBondContact O-CB 3.2Å; T28-S31 PolarHBondContact O-N 3.41Å; Y29-S31 VanDerWaalsContact C-N 3.3Å; Y29-S31 PolarHBondContact O-N 2.91Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.98Å; S31-I34 PolarHBondContact O-N 3.24Å; S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.48Å; S31-L35 PolarHBondContact O-N 3.4Å
32F94.9Very high95.2Very high14 Ų1466.5 Ų66.56%0.06134%0.339CS..Hα-helixtrans-65.4-35.7176.3-83.8-72.3000112.6T28 Y29 L35 N36 L80 P429 F451 L456T28-F32 HydrophobicContact CG2-CD2 4.07Å; T28-F32 HydrophobicContact CG2-CE2 3.99Å; T28-F32 WeakPolarHBondContact O-CD2 3.46Å; T28-F32 PolarHBondContact O-N 2.84Å; Y29-F32 PolarHBondContact O-N 3.14Å; F32-L35 PolarHBondContact O-N 3.31Å; F32-N36 WeakPolarHBondContact O-CB 3.01Å; F32-N36 PolarHBondContact O-N 3.35Å; F32-N36 PolarHBondContact O-ND2 3.16Å; F32-L80 HydrophobicContact CD1-CD2 4.5Å; F32-P429 HydrophobicContact CD1-CG 4.45Å; F32-P429 HydrophobicContact CD2-CG 4.29Å; F32-P429 HydrophobicContact CE1-CB 4.26Å; F32-P429 HydrophobicContact CE1-CG 4.19Å; F32-P429 HydrophobicContact CE2-CB 4.44Å; F32-P429 HydrophobicContact CE2-CG 4.03Å; F32-P429 HydrophobicContact CG-CG 4.5Å; F32-P429 HydrophobicContact CZ-CB 3.98Å; F32-P429 HydrophobicContact CZ-CG 3.97Å; F32-F451 HydrophobicContact CZ-CB 4.49Å; F32-L456 HydrophobicContact CD1-CD2 4.06Å; F32-L456 HydrophobicContact CD2-CB 4.07Å; F32-L456 HydrophobicContact CD2-CD1 4.26Å; F32-L456 HydrophobicContact CD2-CD2 3.88Å; F32-L456 HydrophobicContact CD2-CG 4.28Å; F32-L456 HydrophobicContact CE1-CD2 3.87Å; F32-L456 HydrophobicContact CE2-CB 3.9Å; F32-L456 HydrophobicContact CE2-CD2 3.68Å; F32-L456 HydrophobicContact CE2-CG 4.29Å; F32-L456 HydrophobicContact CG-CD1 4.43Å; F32-L456 HydrophobicContact CG-CD2 4.07Å; F32-L456 HydrophobicContact CZ-CD2 3.68Å
33L96Very high95.1Very high96 Ų9661 Ų6150%0.50331%0.311SS..Hα-helixtrans-62.5-49.8174.7178.263000111.2Y29 F30 S31 L35 N36 I37Y29-L33 PolarHBondContact O-N 2.99Å; F30-L33 WeakPolarHBondContact O-CB 3.35Å; F30-L33 PolarHBondContact O-N 2.9Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.98Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.92Å; L33-N36 WeakPolarHBondContact O-CB 3.42Å; L33-N36 PolarHBondContact O-N 2.87Å; L33-N36 VanDerWaalsContact O-N 3.16Å; L33-I37 HydrophobicContact CD1-CD1 4.15Å; L33-I37 HydrophobicContact CD1-CG1 4.46Å; L33-I37 HydrophobicContact CG-CD1 4.05Å; L33-I37 WeakPolarHBondContact O-CG1 3.25Å; L33-I37 PolarHBondContact O-N 3.38Å
34I96.3Very high95.1Very high67 Ų6762.8 Ų62.834%0.34431%0.309SS..Hα-helixtrans-58.9-46.9176.2-70.9171.1000110.6F30 S31 N36 I37 L38F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CD1 3.28Å; F30-I34 HydrophobicContact CE1-CG1 4.26Å; F30-I34 HydrophobicContact CE2-CD1 4.31Å; F30-I34 HydrophobicContact CE2-CG1 4.49Å; F30-I34 HydrophobicContact CG-CD1 4.38Å; F30-I34 HydrophobicContact CZ-CD1 3.63Å; F30-I34 HydrophobicContact CZ-CG1 4.23Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 2.87Å; S31-I34 PolarHBondContact O-N 3.24Å; I34-N36 VanDerWaalsContact C-N 3.25Å; I34-N36 PolarHBondContact O-N 2.97Å; I34-I37 PolarHBondContact O-N 3.4Å; I34-L38 HydrophobicContact CG2-CD1 3.65Å; I34-L38 HydrophobicContact CG2-CG 4.05Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 2.92Å
35L94.8Very high95.1Very high59 Ų5964.7 Ų64.731%0.30932%0.318SS..Hα-helixtrans-59.7-37.8178-73.4172.8000111.9S31 F32 L33 G39 L80 P429S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.48Å; S31-L35 PolarHBondContact O-N 3.4Å; F32-L35 PolarHBondContact O-N 3.31Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.92Å; L35-G39 PolarHBondContact O-N 2.86Å; L35-L80 HydrophobicContact CB-CD2 4.17Å; L35-L80 HydrophobicContact CB-CG 4.24Å; L35-P429 HydrophobicContact CD1-CB 4.1Å; L35-P429 HydrophobicContact CD1-CG 3.54Å
36N94.8Very high95Very high36 Ų3665.2 Ų65.219%0.19332%0.318CS..Hα-helixtrans-65.3-49.2174.4-90-89.4000111.6F32 L33 I34 L38 G39 R40 F75F32-N36 WeakPolarHBondContact O-CB 3.01Å; F32-N36 PolarHBondContact O-N 3.35Å; F32-N36 PolarHBondContact O-ND2 3.16Å; L33-N36 WeakPolarHBondContact O-CB 3.42Å; L33-N36 PolarHBondContact O-N 2.87Å; L33-N36 VanDerWaalsContact O-N 3.16Å; I34-N36 VanDerWaalsContact C-N 3.25Å; I34-N36 PolarHBondContact O-N 2.97Å; N36-L38 PolarHBondContact O-N 2.91Å; N36-G39 PolarHBondContact O-N 3.07Å; N36-R40 VanDerWaalsContact O-CG 3.25Å; N36-R40 WeakPolarHBondContact O-CG 3.5Å; N36-R40 PolarHBondContact O-N 3.48Å; N36-F75 VanDerWaalsContact OD1-CE1 3.31Å; N36-F75 WeakPolarHBondContact OD1-CE1 3.49Å
37I97.2Very high94.6Very high102 Ų10268.8 Ų68.852%0.52333%0.327SS..Hα-helixtrans-59.4-50178.8-66.8167.5000110.8L33 I34 G39 R40 L41L33-I37 HydrophobicContact CD1-CD1 4.15Å; L33-I37 HydrophobicContact CD1-CG1 4.46Å; L33-I37 HydrophobicContact CG-CD1 4.05Å; L33-I37 WeakPolarHBondContact O-CG1 3.25Å; L33-I37 PolarHBondContact O-N 3.38Å; I34-I37 PolarHBondContact O-N 3.4Å; I37-G39 VanDerWaalsContact C-N 3.31Å; I37-G39 PolarHBondContact O-N 2.96Å; I37-R40 PolarHBondContact O-N 2.81Å; I37-L41 PolarHBondContact O-N 3.49Å
38L95.8Very high94.4Very high83 Ų8368.2 Ų68.244%0.43532%0.323SS..Hα-helixtrans-64.9-34.5178.8-67.8179.8000112.5I34 N36 Q42I34-L38 HydrophobicContact CG2-CD1 3.65Å; I34-L38 HydrophobicContact CG2-CG 4.05Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 2.92Å; N36-L38 PolarHBondContact O-N 2.91Å; L38-Q42 WeakPolarHBondContact O-CB 3.43Å; L38-Q42 VanDerWaalsContact O-CG 3.31Å; L38-Q42 WeakPolarHBondContact O-CG 3.36Å; L38-Q42 PolarHBondContact O-N 2.91Å; L38-Q42 PolarHBondContact O-NE2 2.72Å
39G94.6Very high94Very high1 Ų176.5 Ų76.51%0.0136%0.362CS..Hα-helixtrans-64.9-42.7173.400000111.8L35 N36 I37 Q42 D43 N79L35-G39 PolarHBondContact O-N 2.86Å; N36-G39 PolarHBondContact O-N 3.07Å; I37-G39 VanDerWaalsContact C-N 3.31Å; I37-G39 PolarHBondContact O-N 2.96Å; G39-Q42 PolarHBondContact O-N 2.95Å; G39-D43 PolarHBondContact O-N 3.19Å; G39-N79 PolarHBondContact O-OD1 3.43Å
40R94.9Very high93.8Very high140 Ų14075.3 Ų75.353%0.52837%0.367SS..Hα-helixtrans-68.2-39.6178.4-65.5-67.4176.6154.34.5111.5N36 I37 D43 F44 F75N36-R40 VanDerWaalsContact O-CG 3.25Å; N36-R40 WeakPolarHBondContact O-CG 3.5Å; N36-R40 PolarHBondContact O-N 3.48Å; I37-R40 PolarHBondContact O-N 2.81Å; R40-D43 PolarHBondContact O-N 3.35Å; R40-F44 PolarHBondContact O-N 3.23Å; R40-F75 VanDerWaalsContact CD-CE2 3.43Å; R40-F75 HydrophobicContact CG-CE2 3.75Å; R40-F75 HydrophobicContact CG-CZ 4.01Å
41L95.7Very high93.4Very high89 Ų8973 Ų7347%0.46636%0.359SS..Hα-helixtrans-61.2-43.9172.1179.961.1000111.3I37 D43 F44 L45I37-L41 PolarHBondContact O-N 3.49Å; L41-D43 PolarHBondContact O-N 3.05Å; L41-F44 WeakPolarHBondContact O-CB 3.41Å; L41-F44 PolarHBondContact O-N 3Å; L41-L45 HydrophobicContact CD1-CD1 4.4Å; L41-L45 HydrophobicContact CD1-CG 4.26Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 HydrophobicContact CG-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.05Å; L41-L45 PolarHBondContact O-N 2.95Å
42Q92.7Very high92.8Very high26 Ų2678.3 Ų78.312%0.12138%0.38CS..Hα-helixtrans-61.8-42.1175.9-81.2170.166.200112.6L38 G39 F44 L45 R46 L51L38-Q42 WeakPolarHBondContact O-CB 3.43Å; L38-Q42 VanDerWaalsContact O-CG 3.31Å; L38-Q42 WeakPolarHBondContact O-CG 3.36Å; L38-Q42 PolarHBondContact O-N 2.91Å; L38-Q42 PolarHBondContact O-NE2 2.72Å; G39-Q42 PolarHBondContact O-N 2.95Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; Q42-L45 PolarHBondContact O-N 3.16Å; Q42-R46 WeakPolarHBondContact O-CB 3.38Å; Q42-R46 VanDerWaalsContact O-CG 3.22Å; Q42-R46 WeakPolarHBondContact O-CG 3.36Å; Q42-R46 PolarHBondContact O-N 3.47Å; Q42-L51 HydrophobicContact CB-CD1 4.4Å; Q42-L51 HydrophobicContact CG-CD1 4.11Å
43D91Very high92.1Very high28 Ų2880.6 Ų80.615%0.1539%0.393CS..Hα-helixtrans-63.7-40.2175.3-82.7-0.6000111.7G39 R40 L41 R46 F47 F75 R78 N79G39-D43 PolarHBondContact O-N 3.19Å; R40-D43 PolarHBondContact O-N 3.35Å; L41-D43 PolarHBondContact O-N 3.05Å; D43-R46 PolarHBondContact O-N 2.63Å; D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 2.75Å; D43-F75 WeakPolarHBondContact OD2-CD2 3.29Å; D43-R78 VanDerWaalsContact CG-NH2 3.27Å; D43-R78 IonicContact OD1-CZ 2.73Å; D43-R78 IonicContact OD1-NE 3.74Å; D43-R78 PolarHBondContact OD1-NE 2.85Å; D43-R78 IonicContact OD1-NH2 2.81Å; D43-R78 PolarHBondContact OD1-NH2 2.71Å; D43-R78 IonicContact OD2-CZ 3.48Å; D43-R78 IonicContact OD2-NE 3.29Å; D43-R78 IonicContact OD2-NH2 3.65Å; D43-R78 PolarHBondContact OD2-NH2 3.21Å; D43-N79 PolarHBondContact OD1-ND2 3.49Å; D43-N79 PolarHBondContact OD1-OD1 2.79Å; D43-N79 PolarHBondContact OD2-ND2 3.34Å
44F93Very high91.5Very high115 Ų11581.1 Ų81.150%0.50439%0.393SS..Hα-helixtrans-62.3-47.2173.8175.3-104.1000111.9R40 L41 Q42 R46 F47 I48R40-F44 PolarHBondContact O-N 3.23Å; L41-F44 WeakPolarHBondContact O-CB 3.41Å; L41-F44 PolarHBondContact O-N 3Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; F44-R46 VanDerWaalsContact C-N 3.28Å; F44-R46 PolarHBondContact O-N 3.41Å; F44-F47 WeakPolarHBondContact O-CB 3.26Å; F44-F47 PolarHBondContact O-N 3.25Å; F44-I48 HydrophobicContact CE1-CD1 4.01Å; F44-I48 HydrophobicContact CE1-CG2 4.47Å; F44-I48 HydrophobicContact CE2-CG2 4.04Å; F44-I48 HydrophobicContact CZ-CD1 4.43Å; F44-I48 HydrophobicContact CZ-CG2 3.98Å; F44-I48 WeakPolarHBondContact O-CG1 3.35Å; F44-I48 PolarHBondContact O-N 2.82Å
45L94.4Very high90.7Very high47 Ų4779.2 Ų79.225%0.24639%0.386CS..Hα-helixtrans-63.2-33.1177.5-68.5176000112.5L41 Q42 I48 H49 V50 L51L41-L45 HydrophobicContact CD1-CD1 4.4Å; L41-L45 HydrophobicContact CD1-CG 4.26Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 HydrophobicContact CG-CG 4.43Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.05Å; L41-L45 PolarHBondContact O-N 2.95Å; Q42-L45 PolarHBondContact O-N 3.16Å; L45-I48 HydrophobicContact CD2-CD1 4.12Å; L45-H49 PolarHBondContact O-N 3.41Å; L45-V50 HydrophobicContact CB-CB 4.44Å; L45-V50 HydrophobicContact CD2-CB 4.31Å; L45-V50 HydrophobicContact CD2-CG1 4.24Å; L45-V50 PolarHBondContact O-N 3.11Å; L45-L51 HydrophobicContact CB-CB 4.31Å; L45-L51 HydrophobicContact CB-CD1 3.74Å; L45-L51 HydrophobicContact CB-CG 3.81Å; L45-L51 HydrophobicContact CD1-CD1 3.94Å; L45-L51 HydrophobicContact CD1-CG 4.33Å; L45-L51 PolarHBondContact O-N 2.88Å; L45-L51 VanDerWaalsContact O-N 3.11Å
46R91.2Very high89.9Confident23 Ų2383.4 Ų83.49%0.08741%0.414CS..Hα-helixtrans-68.1-41.1170.9-71.6166.2-168.7-70.3-23.9111.6Q42 D43 F44 I48 H49 L51 E52 N53Q42-R46 WeakPolarHBondContact O-CB 3.38Å; Q42-R46 VanDerWaalsContact O-CG 3.22Å; Q42-R46 WeakPolarHBondContact O-CG 3.36Å; Q42-R46 PolarHBondContact O-N 3.47Å; D43-R46 PolarHBondContact O-N 2.63Å; F44-R46 VanDerWaalsContact C-N 3.28Å; F44-R46 PolarHBondContact O-N 3.41Å; R46-I48 VanDerWaalsContact C-N 3.32Å; R46-I48 PolarHBondContact O-N 3.3Å; R46-H49 PolarHBondContact O-N 2.98Å; R46-L51 WeakPolarHBondContact CA-O 3.41Å; R46-L51 HydrophobicContact CG-CB 3.87Å; R46-E52 PolarHBondContact NH1-O 2.84Å; R46-N53 HydrophobicContact CB-CB 4.28Å; R46-N53 HydrophobicContact CG-CB 4.18Å; R46-N53 PolarHBondContact NH1-OD1 3.15Å
47F88Confident88.9Confident161 Ų16186.4 Ų86.471%0.70643%0.433SS*.Hα-helixtrans-62.6-38.5178.7176-100.3000112.2D43 F44 H49D43-F47 WeakPolarHBondContact O-CB 3.4Å; D43-F47 PolarHBondContact O-N 2.75Å; F44-F47 WeakPolarHBondContact O-CB 3.26Å; F44-F47 PolarHBondContact O-N 3.25Å; F47-H49 PolarHBondContact O-N 2.99Å; F47-H49 PolarHBondContact O-ND1 2.68Å
48I93.1Very high88Confident77 Ų7786 Ų8640%0.39543%0.429SS..THydrogen-bonded Turntrans-8612.8173.966164.9000113.6F44 L45 R46 V50F44-I48 HydrophobicContact CE1-CD1 4.01Å; F44-I48 HydrophobicContact CE1-CG2 4.47Å; F44-I48 HydrophobicContact CE2-CG2 4.04Å; F44-I48 HydrophobicContact CZ-CD1 4.43Å; F44-I48 HydrophobicContact CZ-CG2 3.98Å; F44-I48 WeakPolarHBondContact O-CG1 3.35Å; F44-I48 PolarHBondContact O-N 2.82Å; L45-I48 HydrophobicContact CD2-CD1 4.12Å; R46-I48 VanDerWaalsContact C-N 3.32Å; R46-I48 PolarHBondContact O-N 3.3Å; I48-V50 HydrophobicContact CD1-CB 4.35Å; I48-V50 HydrophobicContact CD1-CG2 3.57Å; I48-V50 HydrophobicContact CG1-CB 4.21Å; I48-V50 HydrophobicContact CG1-CG2 3.74Å; I48-V50 PolarHBondContact O-N 2.9Å
49H87Confident87.3Confident173 Ų17387 Ų8780%0.80143%0.434SS*.THydrogen-bonded Turntrans59.420.8178.2-52.191.2000115.8L45 R46 F47L45-H49 PolarHBondContact O-N 3.41Å; R46-H49 PolarHBondContact O-N 2.98Å; F47-H49 PolarHBondContact O-N 2.99Å; F47-H49 PolarHBondContact O-ND1 2.68Å
50V91.4Very high86.8Confident97 Ų9791.6 Ų91.659%0.58847%0.466SS*.SBendtrans-78.2-36.9172.9170.70000111.2L45 I48L45-V50 HydrophobicContact CB-CB 4.44Å; L45-V50 HydrophobicContact CD2-CB 4.31Å; L45-V50 HydrophobicContact CD2-CG1 4.24Å; L45-V50 PolarHBondContact O-N 3.11Å; I48-V50 HydrophobicContact CD1-CB 4.35Å; I48-V50 HydrophobicContact CD1-CG2 3.57Å; I48-V50 HydrophobicContact CG1-CB 4.21Å; I48-V50 HydrophobicContact CG1-CG2 3.74Å; I48-V50 PolarHBondContact O-N 2.9Å
51L88.4Confident86.5Confident65 Ų6590.8 Ų90.834%0.3447%0.468SS..SBendtrans-107133.3172.9-70.2179.7000110.4Q42 L45 R46 N53Q42-L51 HydrophobicContact CB-CD1 4.4Å; Q42-L51 HydrophobicContact CG-CD1 4.11Å; L45-L51 HydrophobicContact CB-CB 4.31Å; L45-L51 HydrophobicContact CB-CD1 3.74Å; L45-L51 HydrophobicContact CB-CG 3.81Å; L45-L51 HydrophobicContact CD1-CD1 3.94Å; L45-L51 HydrophobicContact CD1-CG 4.33Å; L45-L51 PolarHBondContact O-N 2.88Å; L45-L51 VanDerWaalsContact O-N 3.11Å; R46-L51 WeakPolarHBondContact CA-O 3.41Å; R46-L51 HydrophobicContact CG-CB 3.87Å; L51-N53 PolarHBondContact O-N 2.82Å
52E83.5Confident86.1Confident145 Ų14588 Ų8868%0.67846%0.455SS*.  trans-62.5135.3174-66.3-173.217900111.2R46 H54R46-E52 PolarHBondContact NH1-O 2.84Å; E52-H54 IonicContact OE2-CE1 3.52Å; E52-H54 PolarHBondContact OE2-CE1 2.83Å; E52-H54 IonicContact OE2-NE2 3.64Å
53N81.2Confident85.6Confident63 Ų6393.6 Ų93.634%0.33748%0.478SS..  trans-110.797.9176.5-165.218.8000112.4R46 L51 S55R46-N53 HydrophobicContact CB-CB 4.28Å; R46-N53 HydrophobicContact CG-CB 4.18Å; R46-N53 PolarHBondContact NH1-OD1 3.15Å; L51-N53 PolarHBondContact O-N 2.82Å; N53-S55 PolarHBondContact ND2-OG 2.91Å; N53-S55 PolarHBondContact O-N 3.06Å; N53-S55 WeakPolarHBondContact OD1-CB 3.37Å; N53-S55 PolarHBondContact OD1-N 2.94Å; N53-S55 PolarHBondContact OD1-OG 3.49Å
54H82.8Confident85.3Confident106 Ų10697.2 Ų97.249%0.49151%0.506SS..  trans-82.63.4175.4-49.2-69.2000113.4E52 W112E52-H54 IonicContact OE2-CE1 3.52Å; E52-H54 PolarHBondContact OE2-CE1 2.83Å; E52-H54 IonicContact OE2-NE2 3.64Å; H54-W112 HydrophobicContact CB-CD2 3.88Å; H54-W112 HydrophobicContact CB-CE3 3.95Å; H54-W112 HydrophobicContact CB-CG 4.15Å; H54-W112 HydrophobicContact CB-CZ3 4.47Å; H54-W112 AromaticContact CD2-CD1 3.64Å; H54-W112 AromaticContact CD2-CG 3.93Å; H54-W112 AromaticContact CD2-NE1 3.85Å
55S79.3Confident85.1Confident27 Ų2798.1 Ų98.119%0.18951%0.51CS..SBendtrans-66.3138.1172.467.40000109.8N53 T57 W112N53-S55 PolarHBondContact ND2-OG 2.91Å; N53-S55 PolarHBondContact O-N 3.06Å; N53-S55 WeakPolarHBondContact OD1-CB 3.37Å; N53-S55 PolarHBondContact OD1-N 2.94Å; N53-S55 PolarHBondContact OD1-OG 3.49Å; S55-T57 PolarHBondContact O-N 2.87Å; S55-T57 VanDerWaalsContact O-N 3.14Å; S55-W112 VanDerWaalsContact N-CZ3 3.34Å
56V77.1Confident84.7Confident148 Ų148102 Ų10290%0.89754%0.535SS*.PPolyproline II helixtrans-55.1122168.9-1780000108.8
57T75Confident84.2Confident98 Ų98105 Ų10560%0.60156%0.557SS**PPolyproline II helixtrans-96.5148.3174.555.50000109.9S55S55-T57 PolarHBondContact O-N 2.87Å; S55-T57 VanDerWaalsContact O-N 3.14Å
58E77.3Confident83.9Confident93 Ų93104.7 Ų104.744%0.43556%0.563SS.*PPolyproline II helixtrans-55.5140.7171.7-70.9178.1-179.300111.3K63E58-K63 HydrophobicContact CB-CG 4.36Å
59I82.6Confident83.1Confident106 Ų106109.4 Ų109.454%0.54458%0.577SS.*PPolyproline II helixtrans-67.4146.9178.3-50.4171.2000107.7H61 T62 K63I59-H61 VanDerWaalsContact CG2-ND1 3.29Å; I59-H61 WeakPolarHBondContact CG2-ND1 3.34Å; I59-H61 PolarHBondContact O-N 2.82Å; I59-T62 PolarHBondContact N-OG1 3.15Å; I59-T62 PolarHBondContact O-N 2.9Å; I59-T62 PolarHBondContact O-OG1 3.39Å; I59-T62 VanDerWaalsContact O-OG1 3.04Å; I59-K63 PolarHBondContact O-N 3.22Å
60S83.5Confident82.6Confident97 Ų97104 Ų10468%0.67856%0.559SS**G310 helixtrans-47.1-40.1-174.851.80000114.4T62S60-T62 VanDerWaalsContact C-N 3.35Å; S60-T62 PolarHBondContact O-N 2.6Å
61H89Confident82Confident123 Ų123104.5 Ų104.557%0.56957%0.566SS**G310 helixtrans-75.2-17.9-178.569.4-87.2000114.5I59I59-H61 VanDerWaalsContact CG2-ND1 3.29Å; I59-H61 WeakPolarHBondContact CG2-ND1 3.34Å; I59-H61 PolarHBondContact O-N 2.82Å
62T86.6Confident81.8Confident31 Ų31105.4 Ų105.419%0.1957%0.566CS.*G310 helixtrans-99.7-5.1176.8630000113.1I59 S60 S64 F65I59-T62 PolarHBondContact N-OG1 3.15Å; I59-T62 PolarHBondContact O-N 2.9Å; I59-T62 PolarHBondContact O-OG1 3.39Å; I59-T62 VanDerWaalsContact O-OG1 3.04Å; S60-T62 VanDerWaalsContact C-N 3.35Å; S60-T62 PolarHBondContact O-N 2.6Å; T62-S64 PolarHBondContact O-N 3.36Å; T62-F65 HydrophobicContact CG2-CD2 4.35Å; T62-F65 HydrophobicContact CG2-CE2 4.24Å; T62-F65 VanDerWaalsContact O-CB 3.24Å; T62-F65 WeakPolarHBondContact O-CB 3.27Å; T62-F65 PolarHBondContact O-N 3.38Å
63K81.2Confident81.9Confident142 Ų142103.9 Ų103.962%0.61756%0.558SS**THydrogen-bonded Turntrans-60.2-20.8-177.5-74.6-174178-177.80114.4E58 I59 F65E58-K63 HydrophobicContact CB-CG 4.36Å; I59-K63 PolarHBondContact O-N 3.22Å; K63-F65 VanDerWaalsContact C-N 3.34Å
64S86.7Confident82.2Confident105 Ų105103 Ų10373%0.73456%0.56SS**THydrogen-bonded Turntrans-85.8-6.7175.656.70000113.3T62T62-S64 PolarHBondContact O-N 3.36Å
65F88.3Confident82.6Confident133 Ų13398.1 Ų98.158%0.58354%0.538SS*.SBendtrans-77.8149.6-176.9-69.216.5000109.3T62 K63 P67T62-F65 HydrophobicContact CG2-CD2 4.35Å; T62-F65 HydrophobicContact CG2-CE2 4.24Å; T62-F65 VanDerWaalsContact O-CB 3.24Å; T62-F65 WeakPolarHBondContact O-CB 3.27Å; T62-F65 PolarHBondContact O-N 3.38Å; K63-F65 VanDerWaalsContact C-N 3.34Å; F65-P67 WeakPolarHBondContact O-CD 3.17Å
66V85.3Confident83.1Confident129 Ų12998.5 Ų98.578%0.78254%0.535SS*.PPolyproline II helixtrans-62.6127.7170.3179.60000107.8L68V66-L68 PolarHBondContact O-N 3.41Å
67P81.7Confident83.7Confident85 Ų8595 Ų9555%0.55251%0.514SS*.PPolyproline II helixtrans-56.1134.8-179.9-27.234.9000111.6F65 Y69F65-P67 WeakPolarHBondContact O-CD 3.17Å; P67-Y69 PolarHBondContact O-N 2.81Å
68L81.5Confident84.5Confident156 Ų15693.3 Ų93.382%0.81750%0.497SS*.SBendtrans-69.7-18.8178.1-65.9177.7000113.2V66V66-L68 PolarHBondContact O-N 3.41Å
69Y75.8Confident85.2Confident175 Ų17589 Ų8969%0.68648%0.477SS*.SBendtrans-124.9156.1-175-50.9-77.7000111.4P67P67-Y69 PolarHBondContact O-N 2.81Å
70S76.7Confident85.6Confident61 Ų6184.9 Ų84.943%0.42746%0.456SS..  trans-63138.3174.6172.30000111.2Y72 E73 A74S70-Y72 PolarHBondContact O-N 3.05Å; S70-Y72 VanDerWaalsContact O-N 3.17Å; S70-Y72 PolarHBondContact OG-N 2.81Å; S70-E73 PolarHBondContact O-N 2.93Å; S70-E73 VanDerWaalsContact O-N 3.14Å; S70-A74 PolarHBondContact O-N 2.77Å
71S77.7Confident86.1Confident106 Ų10683.8 Ų83.874%0.74144%0.437SS*.Hα-helixtrans-58.4-29.7176.361.80000112.6F75S71-F75 WeakPolarHBondContact O-CB 3.33Å; S71-F75 PolarHBondContact O-N 3.09Å; S71-F75 VanDerWaalsContact O-N 3.15Å
72Y85.7Confident86.3Confident85 Ų8578.6 Ų78.633%0.33341%0.413SS..Hα-helixtrans-76.9-35.2178-174.8-102.4000113.1S70 A74 F75 Y76S70-Y72 PolarHBondContact O-N 3.05Å; S70-Y72 VanDerWaalsContact O-N 3.17Å; S70-Y72 PolarHBondContact OG-N 2.81Å; Y72-A74 VanDerWaalsContact C-N 3.33Å; Y72-F75 AromaticContact CD2-CD1 3.83Å; Y72-F75 HydrophobicContact CD2-CD1 3.83Å; Y72-F75 AromaticContact CE2-CD1 3.65Å; Y72-F75 HydrophobicContact CE2-CD1 3.65Å; Y72-F75 AromaticContact CE2-CE1 3.96Å; Y72-F75 HydrophobicContact CE2-CE1 3.96Å; Y72-F75 WeakPolarHBondContact O-CB 3.39Å; Y72-F75 PolarHBondContact O-N 3.36Å; Y72-Y76 WeakPolarHBondContact O-CB 3.31Å; Y72-Y76 PolarHBondContact O-N 3.24Å
73E86Confident86.5Confident112 Ų11282.5 Ų82.552%0.52342%0.424SS..Hα-helixtrans-64.6-42176.7-70.4174.9165.600110.8S70 Y76 T77S70-E73 PolarHBondContact O-N 2.93Å; S70-E73 VanDerWaalsContact O-N 3.14Å; E73-Y76 PolarHBondContact O-N 3.17Å; E73-T77 VanDerWaalsContact O-CB 3.26Å; E73-T77 WeakPolarHBondContact O-CB 3.32Å; E73-T77 PolarHBondContact O-N 3.39Å; E73-T77 PolarHBondContact O-OG1 3.26Å
74A86.1Confident87.1Confident46 Ų4676.3 Ų76.338%0.3840%0.399SS..Hα-helixtrans-61.2-45.3173.300000111.5S70 Y72 T77 R78S70-A74 PolarHBondContact O-N 2.77Å; Y72-A74 VanDerWaalsContact C-N 3.33Å; A74-T77 PolarHBondContact O-N 2.77Å; A74-R78 VanDerWaalsContact O-CB 3.24Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 PolarHBondContact O-N 3.23Å
75F90.6Very high87.5Confident3 Ų373.2 Ų73.21%0.01337%0.373CS..Hα-helixtrans-57.6-51.5175165.9-95.8000112.2N36 R40 D43 S71 Y72 R78 N79 L80N36-F75 VanDerWaalsContact OD1-CE1 3.31Å; N36-F75 WeakPolarHBondContact OD1-CE1 3.49Å; R40-F75 VanDerWaalsContact CD-CE2 3.43Å; R40-F75 HydrophobicContact CG-CE2 3.75Å; R40-F75 HydrophobicContact CG-CZ 4.01Å; D43-F75 WeakPolarHBondContact OD2-CD2 3.29Å; S71-F75 WeakPolarHBondContact O-CB 3.33Å; S71-F75 PolarHBondContact O-N 3.09Å; S71-F75 VanDerWaalsContact O-N 3.15Å; Y72-F75 AromaticContact CD2-CD1 3.83Å; Y72-F75 HydrophobicContact CD2-CD1 3.83Å; Y72-F75 AromaticContact CE2-CD1 3.65Å; Y72-F75 HydrophobicContact CE2-CD1 3.65Å; Y72-F75 AromaticContact CE2-CE1 3.96Å; Y72-F75 HydrophobicContact CE2-CE1 3.96Å; Y72-F75 WeakPolarHBondContact O-CB 3.39Å; Y72-F75 PolarHBondContact O-N 3.36Å; F75-R78 PolarHBondContact O-N 3Å; F75-N79 WeakPolarHBondContact CD2-ND2 3.29Å; F75-N79 HydrophobicContact CE2-CB 4.42Å; F75-N79 WeakPolarHBondContact O-CB 3.45Å; F75-N79 PolarHBondContact O-N 3.29Å; F75-N79 PolarHBondContact O-ND2 2.87Å; F75-N79 VanDerWaalsContact O-ND2 3.17Å; F75-L80 HydrophobicContact CE1-CD1 4.29Å; F75-L80 HydrophobicContact CZ-CD1 4.41Å
76Y91.1Very high87.7Confident34 Ų3468.5 Ų68.513%0.13335%0.354CS..Hα-helixtrans-62.7-45.1-178.4-175.9-93.4000111Y72 E73 L80 Y81 F451Y72-Y76 WeakPolarHBondContact O-CB 3.31Å; Y72-Y76 PolarHBondContact O-N 3.24Å; E73-Y76 PolarHBondContact O-N 3.17Å; Y76-L80 HydrophobicContact CD2-CB 4.09Å; Y76-L80 HydrophobicContact CD2-CD2 3.69Å; Y76-L80 HydrophobicContact CD2-CG 4.39Å; Y76-L80 HydrophobicContact CE2-CB 3.98Å; Y76-L80 HydrophobicContact CE2-CD2 3.48Å; Y76-L80 VanDerWaalsContact CE2-CD2 3.48Å; Y76-L80 HydrophobicContact CE2-CG 4.35Å; Y76-L80 HydrophobicContact CG-CB 4.49Å; Y76-L80 WeakPolarHBondContact O-CA 3.44Å; Y76-L80 WeakPolarHBondContact O-CB 3.42Å; Y76-L80 PolarHBondContact O-N 2.91Å; Y76-Y81 PolarHBondContact O-N 3.04Å; Y76-F451 HydrophobicContact CD2-CD1 4.28Å; Y76-F451 HydrophobicContact CD2-CE1 4.27Å; Y76-F451 HydrophobicContact CE1-CD1 4.44Å; Y76-F451 AromaticContact CE2-CD1 3.59Å; Y76-F451 HydrophobicContact CE2-CD1 3.59Å; Y76-F451 HydrophobicContact CE2-CE1 4.03Å; Y76-F451 AromaticContact CZ-CD1 3.68Å; Y76-F451 PolarHBondContact OH-O 3.28Å
77T90.3Very high88.2Confident74 Ų7462.8 Ų62.845%0.45432%0.32SS..Hα-helixtrans-60.5-50.6179.5-58.80000110.9E73 A74 Y81 R82E73-T77 VanDerWaalsContact O-CB 3.26Å; E73-T77 WeakPolarHBondContact O-CB 3.32Å; E73-T77 PolarHBondContact O-N 3.39Å; E73-T77 PolarHBondContact O-OG1 3.26Å; A74-T77 PolarHBondContact O-N 2.77Å; T77-Y81 HydrophobicContact CG2-CD1 4.29Å; T77-R82 WeakPolarHBondContact O-CB 3.33Å; T77-R82 PolarHBondContact O-N 3.22Å
78R90.2Very high88.6Confident63 Ų6363.4 Ų63.424%0.23831%0.311CS..Hα-helixtrans-66.5-41.6-176.2178.5165.560.2-127.7-5.9113.3D43 A74 F75 R82 W112D43-R78 VanDerWaalsContact CG-NH2 3.27Å; D43-R78 IonicContact OD1-CZ 2.73Å; D43-R78 IonicContact OD1-NE 3.74Å; D43-R78 PolarHBondContact OD1-NE 2.85Å; D43-R78 IonicContact OD1-NH2 2.81Å; D43-R78 PolarHBondContact OD1-NH2 2.71Å; D43-R78 IonicContact OD2-CZ 3.48Å; D43-R78 IonicContact OD2-NE 3.29Å; D43-R78 IonicContact OD2-NH2 3.65Å; D43-R78 PolarHBondContact OD2-NH2 3.21Å; A74-R78 VanDerWaalsContact O-CB 3.24Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 PolarHBondContact O-N 3.23Å; F75-R78 PolarHBondContact O-N 3Å; R78-R82 WeakPolarHBondContact O-CB 3.33Å; R78-R82 PolarHBondContact O-NH1 3.31Å; R78-W112 HydrophobicContact CG-CH2 3.88Å; R78-W112 HydrophobicContact CG-CZ2 4.4Å
79N92.1Very high89.1Confident4 Ų459 Ų592%0.02129%0.288CS..Hα-helixtrans-101.7-30.6-167.7-68.1-62.5000114.1G39 D43 F75G39-N79 PolarHBondContact O-OD1 3.43Å; D43-N79 PolarHBondContact OD1-ND2 3.49Å; D43-N79 PolarHBondContact OD1-OD1 2.79Å; D43-N79 PolarHBondContact OD2-ND2 3.34Å; F75-N79 WeakPolarHBondContact CD2-ND2 3.29Å; F75-N79 HydrophobicContact CE2-CB 4.42Å; F75-N79 WeakPolarHBondContact O-CB 3.45Å; F75-N79 PolarHBondContact O-N 3.29Å; F75-N79 PolarHBondContact O-ND2 2.87Å; F75-N79 VanDerWaalsContact O-ND2 3.17Å
80L92.6Very high89.9Confident19 Ų1953 Ų5310%0.09926%0.264CS..THydrogen-bonded Turntrans-107.9-65.6-176.4-77.868.3000110.6F32 L35 F75 Y76 R82 R83F32-L80 HydrophobicContact CD1-CD2 4.5Å; L35-L80 HydrophobicContact CB-CD2 4.17Å; L35-L80 HydrophobicContact CB-CG 4.24Å; F75-L80 HydrophobicContact CE1-CD1 4.29Å; F75-L80 HydrophobicContact CZ-CD1 4.41Å; Y76-L80 HydrophobicContact CD2-CB 4.09Å; Y76-L80 HydrophobicContact CD2-CD2 3.69Å; Y76-L80 HydrophobicContact CD2-CG 4.39Å; Y76-L80 HydrophobicContact CE2-CB 3.98Å; Y76-L80 HydrophobicContact CE2-CD2 3.48Å; Y76-L80 VanDerWaalsContact CE2-CD2 3.48Å; Y76-L80 HydrophobicContact CE2-CG 4.35Å; Y76-L80 HydrophobicContact CG-CB 4.49Å; Y76-L80 WeakPolarHBondContact O-CA 3.44Å; Y76-L80 WeakPolarHBondContact O-CB 3.42Å; Y76-L80 PolarHBondContact O-N 2.91Å; L80-R82 PolarHBondContact O-N 2.87Å; L80-R83 PolarHBondContact O-N 2.99Å
81Y92.6Very high90.8Very high74 Ų7452 Ų5229%0.2926%0.257SS..G310 helixtrans-60-44.7-173.6174.7-105.2000112.7Y76 T77 R83 A84 Q85 W88 N89Y76-Y81 PolarHBondContact O-N 3.04Å; T77-Y81 HydrophobicContact CG2-CD1 4.29Å; Y81-R83 PolarHBondContact O-N 3.12Å; Y81-R83 VanDerWaalsContact O-N 3.09Å; Y81-A84 CarbonylContact O-C 3.55Å; Y81-A84 PolarHBondContact O-N 2.68Å; Y81-Q85 HydrophobicContact CD1-CB 4.23Å; Y81-Q85 HydrophobicContact CE1-CB 3.79Å; Y81-Q85 HydrophobicContact CE2-CB 4.45Å; Y81-Q85 PolarHBondContact O-N 2.94Å; Y81-W88 HydrophobicContact CE2-CB 4.34Å; Y81-W88 HydrophobicContact CE2-CD2 4.28Å; Y81-W88 HydrophobicContact CE2-CE3 4.14Å; Y81-W88 HydrophobicContact CE2-CG 4.36Å; Y81-N89 PolarHBondContact OH-ND2 2.92Å; Y81-N89 PolarHBondContact OH-OD1 2.92Å
82R93Very high91.7Very high13 Ų1351.2 Ų51.25%0.04924%0.243CC..G310 helixtrans-48.1-42179.9-173.8-159.178.5-143.58.5113.3T77 R78 L80 A84 Q85 Y110 G111 W112T77-R82 WeakPolarHBondContact O-CB 3.33Å; T77-R82 PolarHBondContact O-N 3.22Å; R78-R82 WeakPolarHBondContact O-CB 3.33Å; R78-R82 PolarHBondContact O-NH1 3.31Å; L80-R82 PolarHBondContact O-N 2.87Å; R82-A84 PolarHBondContact O-N 3.44Å; R82-Q85 WeakPolarHBondContact O-CG 3.03Å; R82-Y110 PolarHBondContact NE-O 2.85Å; R82-G111 WeakPolarHBondContact CG-O 3.45Å; R82-W112 VanDerWaalsContact CD-CD2 3.41Å; R82-W112 VanDerWaalsContact CD-CE2 3.5Å; R82-W112 VanDerWaalsContact NH1-CE2 3.31Å
83R92.2Very high92.2Very high114 Ų11449.9 Ų49.943%0.4325%0.245SC..G310 helixtrans-71.7-13.2-176.8-67.8179.9172.2-131.6-2.7113.8L80 Y81 R437L80-R83 PolarHBondContact O-N 2.99Å; Y81-R83 PolarHBondContact O-N 3.12Å; Y81-R83 VanDerWaalsContact O-N 3.09Å; R83-R437 PolarHBondContact O-NH2 3.47Å
84A93.3Very high92.6Very high12 Ų1246.7 Ų46.710%0.09924%0.236CC..G310 helixtrans-126.43.8-175.800000113.1Y81 R82 D86 C87 W88 V433Y81-A84 CarbonylContact O-C 3.55Å; Y81-A84 PolarHBondContact O-N 2.68Å; R82-A84 PolarHBondContact O-N 3.44Å; A84-D86 WeakPolarHBondContact CA-OD1 3.4Å; A84-D86 PolarHBondContact O-N 3.04Å; A84-D86 VanDerWaalsContact O-N 3.08Å; A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 2.85Å; A84-W88 HydrophobicContact CB-CZ3 3.9Å; A84-W88 VanDerWaalsContact O-CE3 3.31Å; A84-V433 HydrophobicContact CB-CB 4.48Å; A84-V433 HydrophobicContact CB-CG1 4.1Å; A84-V433 HydrophobicContact CB-CG2 3.48Å; A84-V433 VanDerWaalsContact CB-CG2 3.48Å
85Q93.9Very high93Very high39 Ų3946.2 Ų46.218%0.18223%0.232CC..G310 helixtrans-61.8-23.6-171.772.5166.5-68.700113.1Y81 R82 C87 W88 N89 G111 L114Y81-Q85 HydrophobicContact CD1-CB 4.23Å; Y81-Q85 HydrophobicContact CE1-CB 3.79Å; Y81-Q85 HydrophobicContact CE2-CB 4.45Å; Y81-Q85 PolarHBondContact O-N 2.94Å; R82-Q85 WeakPolarHBondContact O-CG 3.03Å; Q85-C87 PolarHBondContact O-N 3.14Å; Q85-W88 PolarHBondContact O-N 2.84Å; Q85-W88 VanDerWaalsContact O-N 3.12Å; Q85-N89 WeakPolarHBondContact O-CB 3.44Å; Q85-N89 PolarHBondContact O-N 3.07Å; Q85-N89 PolarHBondContact O-ND2 3.25Å; Q85-G111 PolarHBondContact NE2-O 2.94Å; Q85-L114 HydrophobicContact CG-CD1 3.94Å
86D94Very high93.1Very high35 Ų3548.7 Ų48.719%0.18725%0.248CC..G310 helixtrans-61.5-21173.262.6-63.1000113.3A84 R90 L114 R437A84-D86 WeakPolarHBondContact CA-OD1 3.4Å; A84-D86 PolarHBondContact O-N 3.04Å; A84-D86 VanDerWaalsContact O-N 3.08Å; D86-R90 WeakPolarHBondContact O-CG 3.49Å; D86-R90 PolarHBondContact O-NE 2.98Å; D86-R90 VanDerWaalsContact O-NE 3.1Å; D86-L114 HydrophobicContact CB-CD1 4.4Å; D86-L114 HydrophobicContact CB-CD2 4.2Å; D86-R437 IonicContact OD1-CZ 3.53Å; D86-R437 IonicContact OD1-NE 2.76Å; D86-R437 IonicContact OD1-NH2 3.75Å; D86-R437 PolarHBondContact OD1-NH2 3.27Å; D86-R437 IonicContact OD2-CZ 3.25Å; D86-R437 IonicContact OD2-NE 3.94Å; D86-R437 PolarHBondContact OD2-NE 3.47Å; D86-R437 IonicContact OD2-NH2 2.72Å; D86-R437 PolarHBondContact OD2-NH2 2.99Å
87C94.2Very high93.2Very high8 Ų847.4 Ų47.45%0.05425%0.245CC..G310 helixtrans-81.5-20.3176.4-61.90000113.2A84 Q85 V448A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 2.85Å; Q85-C87 PolarHBondContact O-N 3.14Å; C87-V448 HydrophobicContact CB-CG2 4.05Å
88W91.2Very high93.4Very high98 Ų9845.1 Ų45.137%0.37123%0.232SC..THydrogen-bonded Turntrans-106-30.8178.5-78-87.2000113.4Y81 A84 Q85 L432 V448Y81-W88 HydrophobicContact CE2-CB 4.34Å; Y81-W88 HydrophobicContact CE2-CD2 4.28Å; Y81-W88 HydrophobicContact CE2-CE3 4.14Å; Y81-W88 HydrophobicContact CE2-CG 4.36Å; A84-W88 HydrophobicContact CB-CZ3 3.9Å; A84-W88 VanDerWaalsContact O-CE3 3.31Å; Q85-W88 PolarHBondContact O-N 2.84Å; Q85-W88 VanDerWaalsContact O-N 3.12Å; W88-L432 HydrophobicContact CH2-CD2 4.06Å; W88-L432 HydrophobicContact CZ2-CD2 4.11Å; W88-V448 HydrophobicContact CD2-CG2 4.4Å; W88-V448 HydrophobicContact CH2-CG2 4.08Å; W88-V448 HydrophobicContact CZ2-CB 4.36Å; W88-V448 HydrophobicContact CZ2-CG2 3.76Å; W88-V448 PolarHBondContact NE1-O 3.22Å
89N91.5Very high93.7Very high64 Ų6444.8 Ų44.834%0.34223%0.233SC..  trans-10323.4-165.1-61.8-21.6000113.7Y81 Q85 P91 R105Y81-N89 PolarHBondContact OH-ND2 2.92Å; Y81-N89 PolarHBondContact OH-OD1 2.92Å; Q85-N89 WeakPolarHBondContact O-CB 3.44Å; Q85-N89 PolarHBondContact O-N 3.07Å; Q85-N89 PolarHBondContact O-ND2 3.25Å; N89-P91 WeakPolarHBondContact O-CD 3.5Å; N89-R105 VanDerWaalsContact C-NH2 3.29Å; N89-R105 PolarHBondContact O-NH2 3.06Å
90R93.1Very high93.9Very high48 Ų4845 Ų4518%0.18124%0.235CC..PPolyproline II helixtrans-65.5118.8-175.9-62.1-179.3-178.9166.5-7.2110.7D86 I92 S436D86-R90 WeakPolarHBondContact O-CG 3.49Å; D86-R90 PolarHBondContact O-NE 2.98Å; D86-R90 VanDerWaalsContact O-NE 3.1Å; R90-I92 PolarHBondContact O-N 3.35Å; R90-S436 PolarHBondContact NH1-O 3.44Å; R90-S436 PolarHBondContact NH1-OG 3.37Å; R90-S436 PolarHBondContact NH2-O 2.88Å; R90-S436 PolarHBondContact NH2-OG 2.82Å
91P95.8Very high94.2Very high41 Ų4146 Ų4627%0.26624%0.241SC..PPolyproline II helixtrans-71.2126.4177.5-13.228.9000109.8N89 I102 M103N89-P91 WeakPolarHBondContact O-CD 3.5Å; P91-I102 WeakPolarHBondContact O-CA 3.32Å; P91-M103 HydrophobicContact CB-CB 4.13Å; P91-M103 HydrophobicContact CB-CG 4.35Å; P91-M103 HydrophobicContact CB-SD 4.21Å; P91-M103 HydrophobicContact CG-CB 4.39Å; P91-M103 PolarHBondContact O-N 3.07Å
92I95.4Very high94.4Very high90 Ų9042.9 Ų42.946%0.46223%0.23SC..BIsolated β-bridgetrans-101.1132.7175.1-60.8169.5000107.6R90 I100 I102R90-I92 PolarHBondContact O-N 3.35Å; I92-I100 HydrophobicContact CD1-CD1 3.87Å; I92-I100 HydrophobicContact CG1-CD1 4.18Å; I92-I100 HydrophobicContact CG2-CB 4.16Å; I92-I100 HydrophobicContact CG2-CG2 4.38Å; I92-I102 HydrophobicContact CG1-CG2 4.21Å
93C96Very high94.6Very high56 Ų5645 Ų4538%0.37824%0.241SC..  trans-124.733.3-178.267.60000112.7V101 M103C93-V101 PolarHBondContact N-O 2.8Å; C93-M103 HydrophobicContact CB-CG 4.16Å; C93-M103 HydrophobicContact CB-SD 4.46Å
94S95.7Very high94.8Very high46 Ų4641 Ų4132%0.32223%0.228SC..SBendtrans-139.317217268.50000110.6I100 V101S94-I100 VanDerWaalsContact OG-CA 3.27Å; S94-I100 WeakPolarHBondContact OG-CA 3.42Å; S94-V101 PolarHBondContact OG-N 2.97Å
95A93.9Very high94.9Very high35 Ų3544.3 Ų44.329%0.28924%0.238SC..  trans-64.3156.3166.800000111.8G97 P137A95-G97 PolarHBondContact O-N 2.83Å; A95-P137 HydrophobicContact CB-CB 4.21Å; A95-P137 HydrophobicContact CB-CG 3.81Å
96P93.4Very high94.9Very high56 Ų5649.7 Ų49.736%0.36426%0.261SS..SBendtrans-81.256.7-176.835.5-38.2000112.9N130P96-N130 WeakPolarHBondContact O-CB 3.47Å; P96-N130 PolarHBondContact O-ND2 3.33Å
97G93.6Very high94.9Very high7 Ų749.7 Ų49.77%0.07226%0.263CS..SBendtrans-80.6-167.317900000114.3A95 E99 N125 D136A95-G97 PolarHBondContact O-N 2.83Å; G97-E99 PolarHBondContact O-N 2.97Å; G97-N125 WeakPolarHBondContact O-CB 3.12Å; G97-N125 PolarHBondContact O-ND2 3.46Å; G97-D136 WeakPolarHBondContact CA-OD1 3.3Å
98S94.2Very high94.8Very high25 Ų2554.3 Ų54.318%0.17530%0.296CS..SBendtrans-62.6-21.617458.50000113.2N125S98-N125 PolarHBondContact O-N 3.11Å
99E96Very high94.7Very high56 Ų5651.2 Ų51.226%0.26229%0.286SS..EExtended strand (participates in β ladder)trans-129.1151.1169.5-61.8179.598.800109.5G97 K122 V123G97-E99 PolarHBondContact O-N 2.97Å; E99-K122 HydrophobicContact CB-CG 4.43Å; E99-K122 WeakPolarHBondContact OE1-CE 3.21Å; E99-K122 IonicContact OE1-NZ 3.9Å; E99-K122 WeakPolarHBondContact OE2-CE 3.35Å; E99-K122 IonicContact OE2-NZ 3.97Å; E99-K122 PolarHBondContact OE2-NZ 3.3Å; E99-V123 CarbonylContact C-O 3.17Å; E99-V123 VanDerWaalsContact CA-O 3.29Å; E99-V123 WeakPolarHBondContact CA-O 3.42Å
100I96.6Very high94.6Very high10 Ų1057.1 Ų57.15%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-129.5157.1177.256.7175.7000110.9I92 S94 I102 K122 V123 N125I92-I100 HydrophobicContact CD1-CD1 3.87Å; I92-I100 HydrophobicContact CG1-CD1 4.18Å; I92-I100 HydrophobicContact CG2-CB 4.16Å; I92-I100 HydrophobicContact CG2-CG2 4.38Å; S94-I100 VanDerWaalsContact OG-CA 3.27Å; S94-I100 WeakPolarHBondContact OG-CA 3.42Å; I100-I102 HydrophobicContact CD1-CG2 4.33Å; I100-K122 WeakPolarHBondContact O-CA 3.48Å; I100-V123 HydrophobicContact CD1-CG2 4.29Å; I100-V123 HydrophobicContact CG1-CG2 3.7Å; I100-V123 PolarHBondContact N-O 3.27Å; I100-V123 PolarHBondContact O-N 3.23Å; I100-N125 HydrophobicContact CB-CB 4.42Å; I100-N125 HydrophobicContact CD1-CB 4.35Å; I100-N125 HydrophobicContact CG1-CB 4.03Å; I100-N125 HydrophobicContact CG2-CB 3.85Å; I100-N125 WeakPolarHBondContact CG2-ND2 3.48Å
101V97.9Very high94.5Very high40 Ų4055.1 Ų55.124%0.24230%0.299CS..EExtended strand (participates in β ladder)trans-106.9122.8173.2-175.30000108.4C93 S94 K120 S121 K122C93-V101 PolarHBondContact N-O 2.8Å; S94-V101 PolarHBondContact OG-N 2.97Å; V101-K120 HydrophobicContact CG1-CB 3.84Å; V101-K120 HydrophobicContact CG1-CD 4.3Å; V101-S121 WeakPolarHBondContact CA-O 3.36Å; V101-K122 HydrophobicContact CG2-CB 4.5Å; V101-K122 HydrophobicContact CG2-CG 4.4Å
102I97.1Very high94.3Very high8 Ų855.6 Ų55.64%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-104.4149.2176.857.9154.6000111P91 I92 I100 K120 S121 V123 L440P91-I102 WeakPolarHBondContact O-CA 3.32Å; I92-I102 HydrophobicContact CG1-CG2 4.21Å; I100-I102 HydrophobicContact CD1-CG2 4.33Å; I102-K120 VanDerWaalsContact O-CA 3.27Å; I102-K120 WeakPolarHBondContact O-CA 3.36Å; I102-S121 VanDerWaalsContact CG1-O 3.32Å; I102-S121 WeakPolarHBondContact CG1-O 3.35Å; I102-S121 PolarHBondContact N-O 2.9Å; I102-S121 PolarHBondContact O-N 3.23Å; I102-V123 HydrophobicContact CG2-CG2 4.33Å; I102-L440 HydrophobicContact CD1-CD1 3.53Å; I102-L440 HydrophobicContact CD1-CD2 3.67Å; I102-L440 HydrophobicContact CD1-CG 4.04Å
103M97.2Very high94.1Very high58 Ų5854.3 Ų54.329%0.28629%0.292SS..EExtended strand (participates in β ladder)trans-85.6118169.2-62.9-177.669.600109.2P91 C93 R105 F116P91-M103 HydrophobicContact CB-CB 4.13Å; P91-M103 HydrophobicContact CB-CG 4.35Å; P91-M103 HydrophobicContact CB-SD 4.21Å; P91-M103 HydrophobicContact CG-CB 4.39Å; P91-M103 PolarHBondContact O-N 3.07Å; C93-M103 HydrophobicContact CB-CG 4.16Å; C93-M103 HydrophobicContact CB-SD 4.46Å; M103-R105 PolarHBondContact O-N 3.41Å; M103-F116 HydrophobicContact CB-CD2 4.01Å; M103-F116 HydrophobicContact CB-CE2 3.81Å; M103-F116 HydrophobicContact CE-CD1 4.16Å; M103-F116 HydrophobicContact CE-CD2 3.72Å; M103-F116 HydrophobicContact CE-CE1 3.99Å; M103-F116 HydrophobicContact CE-CE2 3.56Å; M103-F116 HydrophobicContact CE-CG 4.04Å; M103-F116 HydrophobicContact CE-CZ 3.71Å; M103-F116 HydrophobicContact CG-CE2 4.27Å
104D96.5Very high94Very high30 Ų3053.3 Ų53.316%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-71.5133.2-177-58.4-39.5000109.9F116 T117 T119 K120 S121D104-F116 VanDerWaalsContact O-CD2 3.25Å; D104-F116 WeakPolarHBondContact O-CD2 3.32Å; D104-T117 HydrophobicContact CB-CG2 4.48Å; D104-T117 VanDerWaalsContact CB-OG1 3.3Å; D104-T117 WeakPolarHBondContact CB-OG1 3.45Å; D104-T117 PolarHBondContact O-N 2.92Å; D104-T117 PolarHBondContact O-OG1 3.2Å; D104-T119 WeakPolarHBondContact CB-OG1 3.45Å; D104-T119 PolarHBondContact N-O 3.01Å; D104-T119 VanDerWaalsContact N-O 3.12Å; D104-T119 WeakPolarHBondContact OD2-CB 3.28Å; D104-T119 PolarHBondContact OD2-OG1 3.01Å; D104-K120 PolarHBondContact OD2-N 3.11Å; D104-S121 VanDerWaalsContact CG-OG 3.29Å; D104-S121 WeakPolarHBondContact OD1-CB 3.31Å; D104-S121 PolarHBondContact OD1-OG 3.26Å; D104-S121 PolarHBondContact OD2-OG 2.78Å; D104-S121 VanDerWaalsContact OD2-OG 3.04Å
105R96.1Very high94Very high81 Ų8155.3 Ų55.331%0.30629%0.29SS..EExtended strand (participates in β ladder)trans-132.7147.5178-63.9-173.4-56.9175.82.6111N89 M103 L114 N115N89-R105 VanDerWaalsContact C-NH2 3.29Å; N89-R105 PolarHBondContact O-NH2 3.06Å; M103-R105 PolarHBondContact O-N 3.41Å; R105-L114 HydrophobicContact CB-CB 4.31Å; R105-N115 CarbonylContact C-O 3.55Å; R105-N115 WeakPolarHBondContact CA-O 3.43Å; R105-N115 WeakPolarHBondContact CB-O 3.39Å
106K94.3Very high94.1Very high152 Ų15258.3 Ų58.366%0.66130%0.297SS*.EExtended strand (participates in β ladder)trans-128.1143.4175.1-168.5173.3-179.8179.60109.8N115 T117K106-N115 PolarHBondContact N-O 3.21Å; K106-N115 PolarHBondContact O-N 3.43Å; K106-T117 HydrophobicContact CB-CG2 4.06Å
107S93.5Very high94.3Very high34 Ų3458.9 Ų58.924%0.23830%0.3CS..  trans-106.4131.1167.8170.90000109D109 Y110 G111 T113S107-D109 PolarHBondContact OG-N 3.48Å; S107-D109 PolarHBondContact OG-OD1 3.31Å; S107-Y110 PolarHBondContact OG-N 2.89Å; S107-G111 WeakPolarHBondContact OG-CA 3.47Å; S107-G111 PolarHBondContact OG-N 3.11Å; S107-T113 WeakPolarHBondContact CA-O 3.36Å; S107-T113 WeakPolarHBondContact CB-O 3.42Å; S107-T113 PolarHBondContact OG-O 2.97Å
108S91.2Very high94.4Very high106 Ų10661.2 Ų61.274%0.74132%0.323SS*.SBendtrans-95.4-1.8169.348.70000112.6
109D90.7Very high94.6Very high32 Ų3263.7 Ų63.717%0.17134%0.338CS..SBendtrans-135.135.8-166.5615.3000112S107 G111 W112 T113S107-D109 PolarHBondContact OG-N 3.48Å; S107-D109 PolarHBondContact OG-OD1 3.31Å; D109-G111 VanDerWaalsContact C-N 3.28Å; D109-G111 PolarHBondContact O-N 2.66Å; D109-W112 HydrophobicContact CB-CB 4.19Å; D109-W112 VanDerWaalsContact CG-CB 3.5Å; D109-W112 PolarHBondContact O-N 3.43Å; D109-W112 PolarHBondContact OD1-N 3.21Å; D109-W112 VanDerWaalsContact OD1-N 3.12Å; D109-W112 WeakPolarHBondContact OD2-CB 3.48Å; D109-T113 VanDerWaalsContact CG-N 3.32Å; D109-T113 VanDerWaalsContact CG-OG1 3.28Å; D109-T113 PolarHBondContact OD1-N 2.97Å; D109-T113 PolarHBondContact OD1-OG1 3.46Å; D109-T113 WeakPolarHBondContact OD2-CB 3.31Å; D109-T113 WeakPolarHBondContact OD2-CG2 3.48Å; D109-T113 PolarHBondContact OD2-N 3.22Å; D109-T113 PolarHBondContact OD2-OG1 3.15Å
110Y89.1Confident94.7Very high188 Ų18867.5 Ų67.574%0.73735%0.353SS*.THydrogen-bonded Turntrans55.940.3173.7-47.8-77.7000114.5R82 S107R82-Y110 PolarHBondContact NE-O 2.85Å; S107-Y110 PolarHBondContact OG-N 2.89Å
111G91.3Very high94.7Very high6 Ų669.1 Ų69.16%0.06237%0.366CS..THydrogen-bonded Turntrans81.215.3177.300000114.2R82 Q85 S107 D109R82-G111 WeakPolarHBondContact CG-O 3.45Å; Q85-G111 PolarHBondContact NE2-O 2.94Å; S107-G111 WeakPolarHBondContact OG-CA 3.47Å; S107-G111 PolarHBondContact OG-N 3.11Å; D109-G111 VanDerWaalsContact C-N 3.28Å; D109-G111 PolarHBondContact O-N 2.66Å
112W90.6Very high94.7Very high52 Ų5273.4 Ų73.420%0.19738%0.381CS..SBendtrans-68.8-43.2170.2-76.5112.8000111.2H54 S55 R78 R82 D109H54-W112 HydrophobicContact CB-CD2 3.88Å; H54-W112 HydrophobicContact CB-CE3 3.95Å; H54-W112 HydrophobicContact CB-CG 4.15Å; H54-W112 HydrophobicContact CB-CZ3 4.47Å; H54-W112 AromaticContact CD2-CD1 3.64Å; H54-W112 AromaticContact CD2-CG 3.93Å; H54-W112 AromaticContact CD2-NE1 3.85Å; S55-W112 VanDerWaalsContact N-CZ3 3.34Å; R78-W112 HydrophobicContact CG-CH2 3.88Å; R78-W112 HydrophobicContact CG-CZ2 4.4Å; R82-W112 VanDerWaalsContact CD-CD2 3.41Å; R82-W112 VanDerWaalsContact CD-CE2 3.5Å; R82-W112 VanDerWaalsContact NH1-CE2 3.31Å; D109-W112 HydrophobicContact CB-CB 4.19Å; D109-W112 VanDerWaalsContact CG-CB 3.5Å; D109-W112 PolarHBondContact O-N 3.43Å; D109-W112 PolarHBondContact OD1-N 3.21Å; D109-W112 VanDerWaalsContact OD1-N 3.12Å; D109-W112 WeakPolarHBondContact OD2-CB 3.48Å
113T91.4Very high94.7Very high62 Ų6273.2 Ų73.238%0.3838%0.38SS..  trans-126150.3174.663.90000110.8S107 D109S107-T113 WeakPolarHBondContact CA-O 3.36Å; S107-T113 WeakPolarHBondContact CB-O 3.42Å; S107-T113 PolarHBondContact OG-O 2.97Å; D109-T113 VanDerWaalsContact CG-N 3.32Å; D109-T113 VanDerWaalsContact CG-OG1 3.28Å; D109-T113 PolarHBondContact OD1-N 2.97Å; D109-T113 PolarHBondContact OD1-OG1 3.46Å; D109-T113 WeakPolarHBondContact OD2-CB 3.31Å; D109-T113 WeakPolarHBondContact OD2-CG2 3.48Å; D109-T113 PolarHBondContact OD2-N 3.22Å; D109-T113 PolarHBondContact OD2-OG1 3.15Å
114L94.1Very high94.8Very high36 Ų3670.5 Ų70.519%0.18837%0.367CS..  trans-124.2100.8174.5-72.2174.2000108.7Q85 D86 R105Q85-L114 HydrophobicContact CG-CD1 3.94Å; D86-L114 HydrophobicContact CB-CD1 4.4Å; D86-L114 HydrophobicContact CB-CD2 4.2Å; R105-L114 HydrophobicContact CB-CB 4.31Å
115N95.7Very high94.8Very high88 Ų8869.4 Ų69.447%0.47136%0.361SS..EExtended strand (participates in β ladder)trans-88.7132.5-176.3-63.6-48000110.2R105 K106 T117R105-N115 CarbonylContact C-O 3.55Å; R105-N115 WeakPolarHBondContact CA-O 3.43Å; R105-N115 WeakPolarHBondContact CB-O 3.39Å; K106-N115 PolarHBondContact N-O 3.21Å; K106-N115 PolarHBondContact O-N 3.43Å; N115-T117 PolarHBondContact O-N 3.08Å
116F96.3Very high94.9Very high97 Ų9765.5 Ų65.543%0.42535%0.346SS..EExtended strand (participates in β ladder)trans-65.5128.2172.3178.9-127.4000109.9M103 D104 G118 T119M103-F116 HydrophobicContact CB-CD2 4.01Å; M103-F116 HydrophobicContact CB-CE2 3.81Å; M103-F116 HydrophobicContact CE-CD1 4.16Å; M103-F116 HydrophobicContact CE-CD2 3.72Å; M103-F116 HydrophobicContact CE-CE1 3.99Å; M103-F116 HydrophobicContact CE-CE2 3.56Å; M103-F116 HydrophobicContact CE-CG 4.04Å; M103-F116 HydrophobicContact CE-CZ 3.71Å; M103-F116 HydrophobicContact CG-CE2 4.27Å; D104-F116 VanDerWaalsContact O-CD2 3.25Å; D104-F116 WeakPolarHBondContact O-CD2 3.32Å; F116-G118 VanDerWaalsContact C-N 3.28Å; F116-G118 VanDerWaalsContact CE1-CA 3.45Å; F116-G118 PolarHBondContact O-N 3.19Å; F116-T119 WeakPolarHBondContact CE2-O 3.4Å
117T96.2Very high94.8Very high69 Ų6959 Ų5942%0.42332%0.323SS..EExtended strand (participates in β ladder)trans-80.7-9.5-176.858.60000113.3D104 K106 N115 T119D104-T117 HydrophobicContact CB-CG2 4.48Å; D104-T117 VanDerWaalsContact CB-OG1 3.3Å; D104-T117 WeakPolarHBondContact CB-OG1 3.45Å; D104-T117 PolarHBondContact O-N 2.92Å; D104-T117 PolarHBondContact O-OG1 3.2Å; K106-T117 HydrophobicContact CB-CG2 4.06Å; N115-T117 PolarHBondContact O-N 3.08Å; T117-T119 VanDerWaalsContact C-N 3.29Å; T117-T119 PolarHBondContact OG1-N 2.87Å; T117-T119 PolarHBondContact OG1-OG1 3.25Å
118G96.8Very high94.9Very high55 Ų5558.8 Ų58.857%0.56732%0.321SS*.EExtended strand (participates in β ladder)trans88.1-9.4-169.300000113.9F116F116-G118 VanDerWaalsContact C-N 3.28Å; F116-G118 VanDerWaalsContact CE1-CA 3.45Å; F116-G118 PolarHBondContact O-N 3.19Å
119T97.8Very high95Very high78 Ų7857 Ų5748%0.47930%0.298SS..EExtended strand (participates in β ladder)trans-105.5159.4-177.163.70000112.4D104 F116 T117D104-T119 WeakPolarHBondContact CB-OG1 3.45Å; D104-T119 PolarHBondContact N-O 3.01Å; D104-T119 VanDerWaalsContact N-O 3.12Å; D104-T119 WeakPolarHBondContact OD2-CB 3.28Å; D104-T119 PolarHBondContact OD2-OG1 3.01Å; F116-T119 WeakPolarHBondContact CE2-O 3.4Å; T117-T119 VanDerWaalsContact C-N 3.29Å; T117-T119 PolarHBondContact OG1-N 2.87Å; T117-T119 PolarHBondContact OG1-OG1 3.25Å
120K97.8Very high95.3Very high135 Ų13555.9 Ų55.959%0.58729%0.292SS*.EExtended strand (participates in β ladder)trans-131.3140.2176.7-62.5175.7-177.5177.50108.8V101 I102 D104V101-K120 HydrophobicContact CG1-CB 3.84Å; V101-K120 HydrophobicContact CG1-CD 4.3Å; I102-K120 VanDerWaalsContact O-CA 3.27Å; I102-K120 WeakPolarHBondContact O-CA 3.36Å; D104-K120 PolarHBondContact OD2-N 3.11Å
121S97.6Very high95.7Very high45 Ų4546.9 Ų46.932%0.31526%0.257SS..EExtended strand (participates in β ladder)trans-116.7130.3178.5-63.90000110.9V101 I102 D104V101-S121 WeakPolarHBondContact CA-O 3.36Å; I102-S121 VanDerWaalsContact CG1-O 3.32Å; I102-S121 WeakPolarHBondContact CG1-O 3.35Å; I102-S121 PolarHBondContact N-O 2.9Å; I102-S121 PolarHBondContact O-N 3.23Å; D104-S121 VanDerWaalsContact CG-OG 3.29Å; D104-S121 WeakPolarHBondContact OD1-CB 3.31Å; D104-S121 PolarHBondContact OD1-OG 3.26Å; D104-S121 PolarHBondContact OD2-OG 2.78Å; D104-S121 VanDerWaalsContact OD2-OG 3.04Å
122K97.6Very high96Very high130 Ų13046.7 Ų46.757%0.56525%0.254SS*.EExtended strand (participates in β ladder)trans-87.7125.4170.1-170.4-177.8178.4-161.30108.9E99 I100 V101E99-K122 HydrophobicContact CB-CG 4.43Å; E99-K122 WeakPolarHBondContact OE1-CE 3.21Å; E99-K122 IonicContact OE1-NZ 3.9Å; E99-K122 WeakPolarHBondContact OE2-CE 3.35Å; E99-K122 IonicContact OE2-NZ 3.97Å; E99-K122 PolarHBondContact OE2-NZ 3.3Å; I100-K122 WeakPolarHBondContact O-CA 3.48Å; V101-K122 HydrophobicContact CG2-CB 4.5Å; V101-K122 HydrophobicContact CG2-CG 4.4Å
123V97.9Very high96.2Very high4 Ų444.3 Ų44.32%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-134.1153.1-175.6-59.30000111.3E99 I100 I102 L440 G443E99-V123 CarbonylContact C-O 3.17Å; E99-V123 VanDerWaalsContact CA-O 3.29Å; E99-V123 WeakPolarHBondContact CA-O 3.42Å; I100-V123 HydrophobicContact CD1-CG2 4.29Å; I100-V123 HydrophobicContact CG1-CG2 3.7Å; I100-V123 PolarHBondContact N-O 3.27Å; I100-V123 PolarHBondContact O-N 3.23Å; I102-V123 HydrophobicContact CG2-CG2 4.33Å; V123-L440 HydrophobicContact CB-CD1 4.48Å; V123-L440 HydrophobicContact CG1-CD1 3.9Å; V123-L440 HydrophobicContact CG2-CD1 4.28Å; V123-G443 WeakPolarHBondContact CA-O 2.95Å; V123-G443 WeakPolarHBondContact CB-O 3.41Å
124L97.9Very high96.4Very high1 Ų142 Ų421%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-66.5133.8173.7-167162.8000109.9L126 G443 L444 G445 L473 A477L124-L126 HydrophobicContact CD2-CD1 4.43Å; L124-L126 HydrophobicContact CD2-CD2 3.8Å; L124-L126 HydrophobicContact CD2-CG 3.64Å; L124-G443 PolarHBondContact N-O 3.14Å; L124-L444 HydrophobicContact CB-CD1 4.06Å; L124-L444 HydrophobicContact CD2-CD1 3.69Å; L124-L444 HydrophobicContact CG-CD1 4.33Å; L124-G445 WeakPolarHBondContact O-CA 3.24Å; L124-G445 PolarHBondContact O-N 3.46Å; L124-L473 HydrophobicContact CD1-CB 4.04Å; L124-L473 HydrophobicContact CD1-CD2 4.07Å; L124-L473 WeakPolarHBondContact CD1-O 3.32Å; L124-A477 HydrophobicContact CD1-CB 3.91Å; L124-A477 HydrophobicContact CD2-CB 4.16Å
125N97.4Very high96.3Very high6 Ų640.9 Ų40.93%0.03223%0.228CC..EExtended strand (participates in β ladder)trans-101.7111.3-176.1-178.816.9000112G97 S98 I100 G127 S128 H469G97-N125 WeakPolarHBondContact O-CB 3.12Å; G97-N125 PolarHBondContact O-ND2 3.46Å; S98-N125 PolarHBondContact O-N 3.11Å; I100-N125 HydrophobicContact CB-CB 4.42Å; I100-N125 HydrophobicContact CD1-CB 4.35Å; I100-N125 HydrophobicContact CG1-CB 4.03Å; I100-N125 HydrophobicContact CG2-CB 3.85Å; I100-N125 WeakPolarHBondContact CG2-ND2 3.48Å; N125-G127 PolarHBondContact OD1-N 3.28Å; N125-S128 VanDerWaalsContact ND2-CB 3.27Å; N125-S128 WeakPolarHBondContact ND2-CB 3.4Å; N125-S128 PolarHBondContact ND2-OG 3.15Å; N125-S128 PolarHBondContact OD1-N 3.23Å; N125-S128 PolarHBondContact OD1-OG 2.85Å; N125-H469 PolarHBondContact O-CE1 3.46Å; N125-H469 PolarHBondContact O-NE2 2.93Å
126L97.1Very high96Very high0 Ų039.2 Ų39.20%022%0.219CC..  trans-114.718.1165.6-63.4-175.6000112.2L124 F402 L444 G445 F463 C464 I465 A477 I481L124-L126 HydrophobicContact CD2-CD1 4.43Å; L124-L126 HydrophobicContact CD2-CD2 3.8Å; L124-L126 HydrophobicContact CD2-CG 3.64Å; L126-F402 HydrophobicContact CD1-CE2 3.86Å; L126-F402 HydrophobicContact CD1-CZ 3.77Å; L126-L444 HydrophobicContact CD1-CD1 3.96Å; L126-L444 HydrophobicContact CG-CD1 4Å; L126-G445 PolarHBondContact N-O 3.35Å; L126-F463 HydrophobicContact CB-CB 4.44Å; L126-F463 HydrophobicContact CB-CD1 3.78Å; L126-F463 HydrophobicContact CD1-CD1 3.59Å; L126-F463 HydrophobicContact CD1-CE1 4.08Å; L126-F463 HydrophobicContact CD1-CG 4.38Å; L126-F463 HydrophobicContact CG-CD1 4.36Å; L126-F463 CarbonylContact O-C 3.53Å; L126-F463 WeakPolarHBondContact O-CA 3.24Å; L126-C464 PolarHBondContact O-N 3.42Å; L126-I465 HydrophobicContact CD2-CD1 4.29Å; L126-A477 HydrophobicContact CD1-CB 3.84Å; L126-I481 HydrophobicContact CD1-CD1 4.42Å
127G94Very high95.6Very high16 Ų1638.6 Ų38.617%0.16523%0.225CC..SBendtrans-105-16.4-17500000115.2N125N125-G127 PolarHBondContact OD1-N 3.28Å
128S94.6Very high95.2Very high28 Ų2842.5 Ų42.520%0.19624%0.241CC..  trans-94.5141.8-173.6-61.20000112.5N125 N130 C464N125-S128 VanDerWaalsContact ND2-CB 3.27Å; N125-S128 WeakPolarHBondContact ND2-CB 3.4Å; N125-S128 PolarHBondContact ND2-OG 3.15Å; N125-S128 PolarHBondContact OD1-N 3.23Å; N125-S128 PolarHBondContact OD1-OG 2.85Å; S128-N130 PolarHBondContact O-N 2.86Å; S128-C464 WeakPolarHBondContact O-CB 3.44Å
129Y94.3Very high94.9Very high68 Ų6840.9 Ų40.927%0.26723%0.225SC..  trans-79.731.1176.1-46.3-54.8000113.6Y131 H300 K332 R462 C464Y129-Y131 HydrophobicContact CD1-CE1 4.5Å; Y129-Y131 WeakPolarHBondContact CD1-OH 3.43Å; Y129-Y131 PolarHBondContact O-N 3.08Å; Y129-H300 AromaticContact CD1-CE1 3.81Å; Y129-H300 AromaticContact CE1-CE1 3.74Å; Y129-K332 HydrophobicContact CD2-CD 3.96Å; Y129-K332 HydrophobicContact CD2-CG 4.09Å; Y129-K332 HydrophobicContact CG-CD 3.87Å; Y129-K332 HydrophobicContact CG-CG 4.13Å; Y129-K332 CarbonylContact O-C 3.19Å; Y129-K332 WeakPolarHBondContact O-CA 3.31Å; Y129-K332 WeakPolarHBondContact O-CB 3.47Å; Y129-R462 PolarHBondContact OH-NH1 3.49Å; Y129-R462 PolarHBondContact OH-NH2 3.19Å; Y129-C464 HydrophobicContact CD1-CB 4.39Å; Y129-C464 WeakPolarHBondContact CD1-SG 3.26Å; Y129-C464 VanDerWaalsContact CE1-SG 3.56Å
130N95.6Very high94.7Very high9 Ų940.4 Ų40.45%0.04822%0.223CC..  trans-83.761.3-178.5-174.316.3000110.4P96 S128 L132 G133 F134 G135 S466P96-N130 WeakPolarHBondContact O-CB 3.47Å; P96-N130 PolarHBondContact O-ND2 3.33Å; S128-N130 PolarHBondContact O-N 2.86Å; N130-L132 PolarHBondContact O-N 2.88Å; N130-G133 PolarHBondContact O-N 2.99Å; N130-G133 VanDerWaalsContact O-N 3.13Å; N130-G133 VanDerWaalsContact OD1-C 3.22Å; N130-G133 WeakPolarHBondContact OD1-CA 3.43Å; N130-G133 PolarHBondContact OD1-N 3.2Å; N130-F134 PolarHBondContact OD1-N 3.26Å; N130-F134 VanDerWaalsContact OD1-N 3.08Å; N130-G135 PolarHBondContact ND2-N 3.11Å; N130-G135 PolarHBondContact OD1-N 2.99Å; N130-S466 VanDerWaalsContact O-CB 3.28Å; N130-S466 WeakPolarHBondContact O-CB 3.43Å; N130-S466 PolarHBondContact O-OG 3.41Å
131Y97.6Very high94.6Very high0 Ų034.4 Ų34.40%020%0.198CC..THydrogen-bonded Turntrans-61.1-39.3-166.5-58.2-42.5000113.8Y129 H300 A304 K332 S333 P420 V421 C464 I465 S466 S467Y129-Y131 HydrophobicContact CD1-CE1 4.5Å; Y129-Y131 WeakPolarHBondContact CD1-OH 3.43Å; Y129-Y131 PolarHBondContact O-N 3.08Å; Y131-H300 AromaticContact CE2-ND1 3.9Å; Y131-H300 AromaticContact CZ-ND1 3.75Å; Y131-H300 PolarHBondContact OH-CE1 3.47Å; Y131-H300 PolarHBondContact OH-ND1 3.15Å; Y131-A304 HydrophobicContact CD2-CB 4.09Å; Y131-A304 HydrophobicContact CG-CB 4.44Å; Y131-K332 HydrophobicContact CD2-CB 4.37Å; Y131-K332 HydrophobicContact CE2-CB 4.2Å; Y131-K332 HydrophobicContact CE2-CD 4.27Å; Y131-S333 WeakPolarHBondContact CD2-OG 3.48Å; Y131-P420 HydrophobicContact CD1-CB 3.77Å; Y131-P420 HydrophobicContact CD1-CG 4.34Å; Y131-P420 HydrophobicContact CD2-CG 4.39Å; Y131-P420 HydrophobicContact CE1-CB 3.75Å; Y131-P420 HydrophobicContact CE1-CG 4.08Å; Y131-P420 HydrophobicContact CE2-CG 4.16Å; Y131-P420 HydrophobicContact CG-CB 4.21Å; Y131-P420 HydrophobicContact CG-CG 4.49Å; Y131-V421 WeakPolarHBondContact OH-CG2 3.44Å; Y131-C464 HydrophobicContact CE1-CB 4.09Å; Y131-I465 WeakPolarHBondContact CD1-O 3.33Å; Y131-S466 CarbonylContact O-C 3.28Å; Y131-S466 WeakPolarHBondContact O-CA 3.3Å; Y131-S466 PolarHBondContact O-OG 3.29Å; Y131-S467 PolarHBondContact O-N 2.8Å
132L96.9Very high94.4Very high1 Ų133.8 Ų33.81%0.00519%0.192CC..THydrogen-bonded Turntrans-98.65.7177.8-64.5178.5000113.6N130 F134 G303 I379 R391 L392 L395 S467N130-L132 PolarHBondContact O-N 2.88Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 HydrophobicContact CB-CD2 3.64Å; L132-F134 HydrophobicContact CB-CE2 3.73Å; L132-F134 HydrophobicContact CD1-CD2 4.33Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 PolarHBondContact O-N 3.38Å; L132-G303 VanDerWaalsContact CD1-O 3.24Å; L132-G303 WeakPolarHBondContact CD1-O 3.29Å; L132-G303 VanDerWaalsContact CD2-O 3.25Å; L132-G303 WeakPolarHBondContact CD2-O 3.39Å; L132-G303 WeakPolarHBondContact CG-O 3.39Å; L132-I379 HydrophobicContact CD1-CD1 3.46Å; L132-I379 VanDerWaalsContact CD1-CD1 3.46Å; L132-I379 HydrophobicContact CD1-CG1 3.73Å; L132-R391 HydrophobicContact CD2-CB 3.98Å; L132-R391 WeakPolarHBondContact O-CD 3.43Å; L132-R391 PolarHBondContact O-NH1 2.82Å; L132-L392 HydrophobicContact CD2-CD2 3.94Å; L132-L392 HydrophobicContact CD2-CG 4.23Å; L132-L395 HydrophobicContact CD2-CD2 4.18Å; L132-S467 WeakPolarHBondContact CA-OG 3.32Å; L132-S467 PolarHBondContact O-OG 2.96Å
133G95.3Very high94.4Very high2 Ų232.6 Ų32.62%0.02119%0.192CC..SBendtrans71.512.6177.700000115.2N130 G135 D136N130-G133 PolarHBondContact O-N 2.99Å; N130-G133 VanDerWaalsContact O-N 3.13Å; N130-G133 VanDerWaalsContact OD1-C 3.22Å; N130-G133 WeakPolarHBondContact OD1-CA 3.43Å; N130-G133 PolarHBondContact OD1-N 3.2Å; G133-G135 PolarHBondContact O-N 2.86Å; G133-D136 PolarHBondContact O-N 2.91Å
134F96.1Very high94.3Very high13 Ų1333.4 Ų33.46%0.05720%0.199CC..THydrogen-bonded Turntrans-74-11.1178.2-72.1-62.3000114N130 L132 D136 S333 Q371 I378 I379N130-F134 PolarHBondContact OD1-N 3.26Å; N130-F134 VanDerWaalsContact OD1-N 3.08Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 HydrophobicContact CB-CD2 3.64Å; L132-F134 HydrophobicContact CB-CE2 3.73Å; L132-F134 HydrophobicContact CD1-CD2 4.33Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 PolarHBondContact O-N 3.38Å; F134-D136 PolarHBondContact O-N 2.89Å; F134-S333 WeakPolarHBondContact CD2-O 3.42Å; F134-Q371 PolarHBondContact O-NE2 3.4Å; F134-I378 HydrophobicContact CE1-CB 4.15Å; F134-I378 HydrophobicContact CE1-CD1 3.98Å; F134-I378 HydrophobicContact CE1-CG2 3.94Å; F134-I378 HydrophobicContact CZ-CB 4.02Å; F134-I378 HydrophobicContact CZ-CG2 3.75Å; F134-I379 HydrophobicContact CE2-CD1 3.8Å; F134-I379 HydrophobicContact CE2-CG1 3.63Å; F134-I379 HydrophobicContact CZ-CG1 4.04Å
135G92.4Very high94.2Very high13 Ų1334.7 Ų34.713%0.13421%0.207CC..THydrogen-bonded Turntrans-75.8-1.5172.900000114.8N130 G133N130-G135 PolarHBondContact ND2-N 3.11Å; N130-G135 PolarHBondContact OD1-N 2.99Å; G133-G135 PolarHBondContact O-N 2.86Å
136D89.7Confident94.2Very high53 Ų5339.4 Ų39.428%0.28323%0.229SC..SBendtrans-71.8140.2174.6-75.3-32.6000111G97 G133 F134 I138G97-D136 WeakPolarHBondContact CA-OD1 3.3Å; G133-D136 PolarHBondContact O-N 2.91Å; F134-D136 PolarHBondContact O-N 2.89Å; D136-I138 PolarHBondContact O-N 2.87Å
137P87.3Confident94.2Very high84 Ų8445.6 Ų45.655%0.54526%0.258SS..SBendtrans-81.520.9-172.835.3-34.8000112.6A95 T142A95-P137 HydrophobicContact CB-CB 4.21Å; A95-P137 HydrophobicContact CB-CG 3.81Å; P137-T142 PolarHBondContact O-OG1 2.62Å
138I87.4Confident94.3Very high151 Ų15145 Ų4577%0.77425%0.252SS*.SBendtrans-135.4133.1-175.4-57.6172.4000108.3D136 T142D136-I138 PolarHBondContact O-N 2.87Å; I138-T142 PolarHBondContact N-OG1 3.42Å
139G89.9Confident94.4Very high22 Ų2246.1 Ų46.123%0.22726%0.257CS..SBendtrans129.2-170.8169.400000114C141 T142 N143G139-C141 VanDerWaalsContact C-N 3.29Å; G139-C141 PolarHBondContact O-N 3.06Å; G139-T142 PolarHBondContact O-N 2.76Å; G139-N143 PolarHBondContact O-N 3.02Å
140P93.6Very high94.5Very high68 Ų6853 Ų5344%0.44228%0.283SS..Hα-helixtrans-60.2-35.3-172.824.2-36.2000113.3N143 A144 I378 I384P140-N143 PolarHBondContact O-N 3.08Å; P140-A144 WeakPolarHBondContact O-CB 3.49Å; P140-A144 PolarHBondContact O-N 2.82Å; P140-I378 HydrophobicContact CB-CD1 4.28Å; P140-I378 HydrophobicContact CG-CD1 3.59Å; P140-I384 HydrophobicContact CB-CD1 4.34Å; P140-I384 HydrophobicContact CG-CD1 3.82Å
141C95.5Very high94.5Very high8 Ų859.6 Ų59.65%0.05431%0.311CS..Hα-helixtrans-65-42.5177.9-56.60000112.1G139 T145 Q371G139-C141 VanDerWaalsContact C-N 3.29Å; G139-C141 PolarHBondContact O-N 3.06Å; C141-T145 WeakPolarHBondContact O-CB 3.17Å; C141-T145 PolarHBondContact O-N 2.85Å; C141-T145 PolarHBondContact O-OG1 2.84Å; C141-Q371 VanDerWaalsContact CB-OE1 3.23Å
142T94.9Very high94.4Very high32 Ų3263.4 Ų63.420%0.19633%0.328CS..Hα-helixtrans-62.2-49.1176.5-51.80000110.9P137 I138 G139 A144 T145 E146P137-T142 PolarHBondContact O-OG1 2.62Å; I138-T142 PolarHBondContact N-OG1 3.42Å; G139-T142 PolarHBondContact O-N 2.76Å; T142-A144 PolarHBondContact O-N 3.09Å; T142-T145 WeakPolarHBondContact O-CB 3.42Å; T142-T145 PolarHBondContact O-N 3.3Å; T142-T145 VanDerWaalsContact O-N 3.12Å; T142-E146 PolarHBondContact O-N 3.06Å
143N95.9Very high94.2Very high105 Ų10564.9 Ų64.956%0.56134%0.343SS*.Hα-helixtrans-59.8-45.2-179.3-64.3-8.6000111.9G139 P140 T145 E146 E147G139-N143 PolarHBondContact O-N 3.02Å; P140-N143 PolarHBondContact O-N 3.08Å; N143-T145 VanDerWaalsContact C-N 3.32Å; N143-T145 PolarHBondContact O-N 3.47Å; N143-E146 PolarHBondContact O-N 3.32Å; N143-E147 PolarHBondContact O-N 3.37Å; N143-E147 VanDerWaalsContact O-N 3.14Å
144A96.5Very high94.1Very high21 Ų2169.8 Ų69.817%0.17437%0.372CS..Hα-helixtrans-63.8-39.2176.800000111.8P140 T142 E147 A148 Q370 S374P140-A144 WeakPolarHBondContact O-CB 3.49Å; P140-A144 PolarHBondContact O-N 2.82Å; T142-A144 PolarHBondContact O-N 3.09Å; A144-E147 PolarHBondContact O-N 3.03Å; A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.44Å; A144-Q370 HydrophobicContact CB-CG 3.91Å; A144-Q370 WeakPolarHBondContact O-CG 3.38Å; A144-S374 WeakPolarHBondContact CB-OG 3.29Å
145T96.5Very high93.7Very high28 Ų2871.5 Ų71.517%0.17239%0.393CS..Hα-helixtrans-64.1-39.5177.6-61.60000112C141 T142 N143 A148 T149 P367 Q371C141-T145 WeakPolarHBondContact O-CB 3.17Å; C141-T145 PolarHBondContact O-N 2.85Å; C141-T145 PolarHBondContact O-OG1 2.84Å; T142-T145 WeakPolarHBondContact O-CB 3.42Å; T142-T145 PolarHBondContact O-N 3.3Å; T142-T145 VanDerWaalsContact O-N 3.12Å; N143-T145 VanDerWaalsContact C-N 3.32Å; N143-T145 PolarHBondContact O-N 3.47Å; T145-A148 PolarHBondContact O-N 2.98Å; T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 PolarHBondContact O-N 3.48Å; T145-T149 PolarHBondContact O-OG1 3.29Å; T145-P367 HydrophobicContact CG2-CB 3.58Å; T145-Q371 PolarHBondContact OG1-OE1 3.03Å
146E96.3Very high93.4Very high105 Ų10573 Ų7349%0.49140%0.4SS..Hα-helixtrans-62.6-45.6173.8-71.9-176-170.700111.9T142 N143 T149 R150T142-E146 PolarHBondContact O-N 3.06Å; N143-E146 PolarHBondContact O-N 3.32Å; E146-T149 WeakPolarHBondContact O-CB 3.4Å; E146-T149 PolarHBondContact O-N 3.03Å; E146-R150 WeakPolarHBondContact O-CG 2.97Å; E146-R150 PolarHBondContact O-N 2.72Å
147E96.8Very high93.4Very high131 Ų13175.3 Ų75.361%0.61243%0.427SS*.Hα-helixtrans-61.5-46.3176.9-170.6-173.6161.600111.5N143 A144 T149 R150 K151N143-E147 PolarHBondContact O-N 3.37Å; N143-E147 VanDerWaalsContact O-N 3.14Å; A144-E147 PolarHBondContact O-N 3.03Å; E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 3.01Å; E147-R150 PolarHBondContact O-N 3.34Å; E147-R150 VanDerWaalsContact O-N 3.16Å; E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 PolarHBondContact O-N 3.02Å
148A96.4Very high93.7Very high3 Ų372.2 Ų72.23%0.02541%0.407CS..Hα-helixtrans-61.2-37.3176.600000112.1A144 T145 K151 F152 Q370A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.44Å; T145-A148 PolarHBondContact O-N 2.98Å; A148-K151 PolarHBondContact O-N 3.48Å; A148-F152 HydrophobicContact CB-CD2 4.36Å; A148-F152 WeakPolarHBondContact O-CB 3.47Å; A148-F152 PolarHBondContact O-N 3.42Å; A148-Q370 HydrophobicContact CB-CB 3.6Å; A148-Q370 HydrophobicContact CB-CG 3.69Å
149T96.8Very high93.9Very high51 Ų5165.3 Ų65.331%0.31337%0.372SS..Hα-helixtrans-61.4-45.9174.6-57.30000111.2T145 E146 E147 K151 G153 V154 P367T145-T149 WeakPolarHBondContact O-CB 3.49Å; T145-T149 PolarHBondContact O-N 3.48Å; T145-T149 PolarHBondContact O-OG1 3.29Å; E146-T149 WeakPolarHBondContact O-CB 3.4Å; E146-T149 PolarHBondContact O-N 3.03Å; E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 3.01Å; T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 3.42Å; T149-G153 VanDerWaalsContact O-CA 3.24Å; T149-G153 WeakPolarHBondContact O-CA 3.48Å; T149-G153 PolarHBondContact O-N 3.35Å; T149-V154 HydrophobicContact CG2-CG1 4.02Å; T149-P367 WeakPolarHBondContact OG1-CB 3.45Å
150R97.1Very high94.1Very high213 Ų21366.4 Ų66.480%0.80437%0.369SS*.Hα-helixtrans-65.9-34.1178.4-67.5-179-170.7-78.9-1.4112.4E146 E147E146-R150 WeakPolarHBondContact O-CG 2.97Å; E146-R150 PolarHBondContact O-N 2.72Å; E147-R150 PolarHBondContact O-N 3.34Å; E147-R150 VanDerWaalsContact O-N 3.16Å
151K95.8Very high93.9Very high148 Ų14867.6 Ų67.664%0.64337%0.369SS*.Hα-helixtrans-83-43-175.4-176.3173-179.1173.70114.1E147 A148 T149E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 PolarHBondContact O-N 3.02Å; A148-K151 PolarHBondContact O-N 3.48Å; T149-K151 VanDerWaalsContact C-N 3.3Å; T149-K151 PolarHBondContact O-N 3.42Å
152F94.6Very high93.7Very high80 Ų8074.3 Ų74.335%0.35140%0.399SS..Hα-helixtrans-111.9-10.1-171.6-63.3-73.6000113.6A148 A366A148-F152 HydrophobicContact CB-CD2 4.36Å; A148-F152 WeakPolarHBondContact O-CB 3.47Å; A148-F152 PolarHBondContact O-N 3.42Å; F152-A366 HydrophobicContact CB-CB 3.49Å; F152-A366 VanDerWaalsContact CB-CB 3.49Å; F152-A366 HydrophobicContact CD2-CB 4.34Å; F152-A366 HydrophobicContact CG-CB 4.14Å
153G93.8Very high93.6Very high31 Ų3176.2 Ų76.232%0.3242%0.419SS..  trans72.3-173.8-168.500000112.6T149 P367T149-G153 VanDerWaalsContact O-CA 3.24Å; T149-G153 WeakPolarHBondContact O-CA 3.48Å; T149-G153 PolarHBondContact O-N 3.35Å; G153-P367 WeakPolarHBondContact O-CD 3.29Å
154V92.1Very high93.4Very high106 Ų10671.2 Ų71.264%0.64239%0.392SS*.SBendtrans-92.1-10.9-173.8-63.40000114.1T149 P365T149-V154 HydrophobicContact CG2-CG1 4.02Å; V154-P365 VanDerWaalsContact O-CB 3.22Å; V154-P365 WeakPolarHBondContact O-CB 3.41Å
155G88.3Confident93.3Very high48 Ų4873.3 Ų73.350%0.49541%0.405SS..  trans-171.6158.2-17800000112.8
156V86.9Confident93.2Very high44 Ų4474 Ų7427%0.26741%0.408SS..  trans-99.1-13.6-178.6-163.50000112.2S158 A163 L166V156-S158 PolarHBondContact O-N 3.13Å; V156-A163 VanDerWaalsContact CG1-O 3.29Å; V156-A163 WeakPolarHBondContact CG1-O 3.13Å; V156-L166 HydrophobicContact CG2-CD1 3.73Å; V156-L166 HydrophobicContact CG2-CD2 4.06Å; V156-L166 HydrophobicContact CG2-CG 3.8Å
157A89Confident93.1Very high103 Ų10377.2 Ų77.285%0.85142%0.42SS*.SBendtrans55.930.8-177.900000114.9
158S93.1Very high93Very high18 Ų1871.3 Ų71.313%0.12639%0.393CS..SBendtrans-152.2163.7177.5-1790000111.2V156 E162 A163 G164 S363V156-S158 PolarHBondContact O-N 3.13Å; S158-E162 VanDerWaalsContact OG-CB 3.25Å; S158-E162 WeakPolarHBondContact OG-CB 3.14Å; S158-E162 PolarHBondContact OG-OE2 2.89Å; S158-A163 PolarHBondContact OG-N 3.46Å; S158-G164 PolarHBondContact OG-N 3.3Å; S158-S363 PolarHBondContact O-N 3.02Å; S158-S363 PolarHBondContact O-OG 3.43Å
159S92.8Very high93Very high7 Ų771.1 Ų71.15%0.04939%0.391CS..BIsolated β-bridgetrans-79.6166.5176.178.50000112Q161 E162 G164 V359 G361S159-Q161 PolarHBondContact O-N 3.1Å; S159-E162 PolarHBondContact O-N 3.18Å; S159-G164 WeakPolarHBondContact O-CA 3.42Å; S159-G164 PolarHBondContact O-N 2.67Å; S159-V359 WeakPolarHBondContact CB-O 3.45Å; S159-V359 PolarHBondContact OG-O 2.94Å; S159-G361 WeakPolarHBondContact CA-O 3.01Å; S159-G361 WeakPolarHBondContact CB-O 3.15Å
160R92.8Very high93Very high44 Ų4472.9 Ų72.917%0.16640%0.395CS..THydrogen-bonded Turntrans-65.7-26-178.2-69.6-64.3-59.9-80-3.4113.3S165 E173 A358R160-S165 PolarHBondContact NE-OG 2.78Å; R160-S165 PolarHBondContact O-OG 3.18Å; R160-E173 IonicContact CZ-OE1 3.9Å; R160-E173 VanDerWaalsContact CZ-OE1 3.24Å; R160-E173 IonicContact NH1-OE1 3.79Å; R160-E173 PolarHBondContact NH1-OE1 2.79Å; R160-E173 IonicContact NH2-OE1 2.88Å; R160-E173 PolarHBondContact NH2-OE1 2.88Å; R160-E173 IonicContact NH2-OE2 2.81Å; R160-A358 PolarHBondContact N-O 2.87Å
161Q90.5Very high93.1Very high93 Ų9365.6 Ų65.644%0.43537%0.37SS..THydrogen-bonded Turntrans-83.8-17.1179-77.4-158.42.800115.1S159 R352 S353 A358 V359S159-Q161 PolarHBondContact O-N 3.1Å; Q161-R352 PolarHBondContact NE2-O 2.7Å; Q161-S353 PolarHBondContact NE2-O 3.12Å; Q161-A358 PolarHBondContact N-O 3.4Å; Q161-V359 HydrophobicContact CG-CG2 4.49Å
162E91.5Very high93.2Very high149 Ų14958.6 Ų58.670%0.69634%0.339SS*.THydrogen-bonded Turntrans-98.9-105.4178.5-67.2176170.800109.4S158 S159S158-E162 VanDerWaalsContact OG-CB 3.25Å; S158-E162 WeakPolarHBondContact OG-CB 3.14Å; S158-E162 PolarHBondContact OG-OE2 2.89Å; S159-E162 PolarHBondContact O-N 3.18Å
163A91.4Very high93.4Very high73 Ų7354.9 Ų54.960%0.60332%0.323SS*.THydrogen-bonded Turntrans-111.45.2-178.100000113.3V156 S158 S165V156-A163 VanDerWaalsContact CG1-O 3.29Å; V156-A163 WeakPolarHBondContact CG1-O 3.13Å; S158-A163 PolarHBondContact OG-N 3.46Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 3.32Å
164G92.6Very high93.6Very high0 Ų056.5 Ų56.50%032%0.324CS..  trans-80.58.2-173.200000116.2S158 S159 H169 S363S158-G164 PolarHBondContact OG-N 3.3Å; S159-G164 WeakPolarHBondContact O-CA 3.42Å; S159-G164 PolarHBondContact O-N 2.67Å; G164-H169 PolarHBondContact O-CE1 3.08Å; G164-H169 VanDerWaalsContact O-CE1 3.29Å; G164-H169 PolarHBondContact O-ND1 2.74Å; G164-S363 WeakPolarHBondContact O-CB 3.37Å
165S94Very high93.9Very high65 Ų6551.9 Ų51.946%0.45530%0.296SS..  trans-97.9115.7-175.1-77.70000112.3R160 A163R160-S165 PolarHBondContact NE-OG 2.78Å; R160-S165 PolarHBondContact O-OG 3.18Å; A163-S165 VanDerWaalsContact C-N 3.29Å; A163-S165 PolarHBondContact O-N 3.32Å
166L94.4Very high94.4Very high42 Ų4249.7 Ų49.722%0.2227%0.273CS..  trans-102155.9173.7-59.6178000110.8V156 L168 H169 K170 A366V156-L166 HydrophobicContact CG2-CD1 3.73Å; V156-L166 HydrophobicContact CG2-CD2 4.06Å; V156-L166 HydrophobicContact CG2-CG 3.8Å; L166-L168 HydrophobicContact CB-CB 4.38Å; L166-L168 PolarHBondContact O-N 3.05Å; L166-L168 VanDerWaalsContact O-N 3.16Å; L166-H169 PolarHBondContact N-ND1 3.31Å; L166-H169 VanDerWaalsContact N-ND1 3.18Å; L166-H169 WeakPolarHBondContact O-CB 3.32Å; L166-H169 PolarHBondContact O-N 3.06Å; L166-K170 PolarHBondContact O-N 3.05Å; L166-A366 HydrophobicContact CD1-CB 3.89Å
167K94.4Very high95Very high173 Ų17347.9 Ų47.975%0.75226%0.263SS*.Hα-helixtrans-51.9-37169.4-176.1179.6177.7-1780111.7H169 K170 E171K167-H169 VanDerWaalsContact C-N 3.31Å; K167-H169 PolarHBondContact O-N 2.86Å; K167-K170 PolarHBondContact O-N 3.46Å; K167-K170 VanDerWaalsContact O-N 3.17Å; K167-E171 PolarHBondContact O-N 3.47Å
168L95.5Very high95.4Very high6 Ų647.7 Ų47.73%0.03124%0.244CC..Hα-helixtrans-61.5-35.5178.7-162.868.4000112.9L166 L172 A366 A369 Q370 I373L166-L168 HydrophobicContact CB-CB 4.38Å; L166-L168 PolarHBondContact O-N 3.05Å; L166-L168 VanDerWaalsContact O-N 3.16Å; L168-L172 WeakPolarHBondContact O-CB 3.2Å; L168-L172 PolarHBondContact O-N 3.4Å; L168-A366 HydrophobicContact CD2-CB 4.04Å; L168-A366 WeakPolarHBondContact CD2-O 3.48Å; L168-A369 HydrophobicContact CD2-CB 3.83Å; L168-A369 HydrophobicContact CG-CB 4.03Å; L168-Q370 HydrophobicContact CD2-CB 4.24Å; L168-I373 HydrophobicContact CD1-CD1 3.33Å; L168-I373 HydrophobicContact CG-CD1 3.76Å
169H96.5Very high95.7Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-67.3-39.8175.7-60.6144.3000111.9G164 L166 K167 L172 E173 M364G164-H169 PolarHBondContact O-CE1 3.08Å; G164-H169 VanDerWaalsContact O-CE1 3.29Å; G164-H169 PolarHBondContact O-ND1 2.74Å; L166-H169 PolarHBondContact N-ND1 3.31Å; L166-H169 VanDerWaalsContact N-ND1 3.18Å; L166-H169 WeakPolarHBondContact O-CB 3.32Å; L166-H169 PolarHBondContact O-N 3.06Å; K167-H169 VanDerWaalsContact C-N 3.31Å; K167-H169 PolarHBondContact O-N 2.86Å; H169-L172 PolarHBondContact O-N 3Å; H169-E173 WeakPolarHBondContact O-CB 3.18Å; H169-E173 VanDerWaalsContact O-CG 3.3Å; H169-E173 WeakPolarHBondContact O-CG 3.32Å; H169-E173 PolarHBondContact O-N 3.3Å; H169-M364 PolarHBondContact CE1-O 3.36Å; H169-M364 PolarHBondContact NE2-O 3.38Å
170K96.8Very high95.9Very high88 Ų8847.2 Ų47.238%0.38324%0.24SC..Hα-helixtrans-67.2-44.8178.3-179.2541761540111.2L166 K167 L172 E173 D174L166-K170 PolarHBondContact O-N 3.05Å; K167-K170 PolarHBondContact O-N 3.46Å; K167-K170 VanDerWaalsContact O-N 3.17Å; K170-L172 VanDerWaalsContact C-N 3.32Å; K170-L172 PolarHBondContact O-N 3.17Å; K170-E173 PolarHBondContact O-N 3.42Å; K170-D174 WeakPolarHBondContact CE-OD2 3.28Å; K170-D174 IonicContact NZ-OD1 3.45Å; K170-D174 PolarHBondContact NZ-OD1 3.1Å; K170-D174 IonicContact NZ-OD2 2.72Å; K170-D174 PolarHBondContact NZ-OD2 3.38Å; K170-D174 PolarHBondContact O-N 3.38Å
171E98Very high96.1Very high60 Ų6046.3 Ų46.328%0.2825%0.245SC..Hα-helixtrans-57.3-45.1173.4179.7176.5168.500111.9K167 D174 L175 I373 R377K167-E171 PolarHBondContact O-N 3.47Å; E171-D174 PolarHBondContact O-N 3.41Å; E171-L175 VanDerWaalsContact O-CB 3.24Å; E171-L175 WeakPolarHBondContact O-CB 3.26Å; E171-L175 PolarHBondContact O-N 2.83Å; E171-I373 HydrophobicContact CB-CD1 4.4Å; E171-I373 HydrophobicContact CG-CD1 4.12Å; E171-R377 IonicContact OE1-CZ 3.92Å; E171-R377 IonicContact OE1-NH1 3.52Å; E171-R377 IonicContact OE1-NH2 3.61Å; E171-R377 PolarHBondContact OE1-NH2 3.29Å
172L98.4Very high96.5Very high0 Ų042.9 Ų42.90%023%0.228CC..Hα-helixtrans-62.2-46175.6174.957.4000112.1L168 H169 K170 D174 L175 V176 V187 M364 A369 I372 I373 I376L168-L172 WeakPolarHBondContact O-CB 3.2Å; L168-L172 PolarHBondContact O-N 3.4Å; H169-L172 PolarHBondContact O-N 3Å; K170-L172 VanDerWaalsContact C-N 3.32Å; K170-L172 PolarHBondContact O-N 3.17Å; L172-D174 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 3.19Å; L172-V176 HydrophobicContact CD1-CG2 3.78Å; L172-V176 HydrophobicContact CG-CG2 4.37Å; L172-V176 WeakPolarHBondContact O-CB 3.43Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.08Å; L172-V187 HydrophobicContact CD2-CB 4.33Å; L172-V187 HydrophobicContact CD2-CG1 4.04Å; L172-V187 HydrophobicContact CD2-CG2 4.08Å; L172-V187 HydrophobicContact CG-CG1 3.94Å; L172-M364 HydrophobicContact CD2-SD 3.82Å; L172-A369 HydrophobicContact CD2-CB 3.99Å; L172-I372 HydrophobicContact CD1-CB 3.91Å; L172-I372 HydrophobicContact CD1-CG2 3.4Å; L172-I372 HydrophobicContact CD2-CB 4.42Å; L172-I372 HydrophobicContact CD2-CD1 4.07Å; L172-I372 HydrophobicContact CD2-CG2 4.49Å; L172-I373 HydrophobicContact CB-CD1 4Å; L172-I373 HydrophobicContact CB-CG1 3.91Å; L172-I373 HydrophobicContact CD1-CG1 4Å; L172-I373 HydrophobicContact CG-CG1 4.49Å; L172-I376 HydrophobicContact CD1-CD1 4.36Å
173E98.6Very high96.8Very high3 Ų340.7 Ų40.71%0.01422%0.218CC..Hα-helixtrans-61.3-43.4178.5-76.9171.4-165.300112.6R160 H169 K170 V176 A177 V187 R352R160-E173 IonicContact CZ-OE1 3.9Å; R160-E173 VanDerWaalsContact CZ-OE1 3.24Å; R160-E173 IonicContact NH1-OE1 3.79Å; R160-E173 PolarHBondContact NH1-OE1 2.79Å; R160-E173 IonicContact NH2-OE1 2.88Å; R160-E173 PolarHBondContact NH2-OE1 2.88Å; R160-E173 IonicContact NH2-OE2 2.81Å; H169-E173 WeakPolarHBondContact O-CB 3.18Å; H169-E173 VanDerWaalsContact O-CG 3.3Å; H169-E173 WeakPolarHBondContact O-CG 3.32Å; H169-E173 PolarHBondContact O-N 3.3Å; K170-E173 PolarHBondContact O-N 3.42Å; E173-V176 PolarHBondContact O-N 3.19Å; E173-A177 WeakPolarHBondContact O-CB 3.19Å; E173-A177 PolarHBondContact O-N 3.33Å; E173-V187 HydrophobicContact CG-CB 4.46Å; E173-V187 HydrophobicContact CG-CG1 4.03Å; E173-V187 HydrophobicContact CG-CG2 3.97Å; E173-R352 IonicContact OE2-CZ 3.6Å; E173-R352 IonicContact OE2-NE 3.22Å; E173-R352 IonicContact OE2-NH2 2.68Å; E173-R352 PolarHBondContact OE2-NH2 3.24Å
174D98.7Very high97.2Very high65 Ų6537.2 Ų37.235%0.34819%0.189SC..Hα-helixtrans-68.3-39.9178.8-66.5-25.8000110.8K170 E171 L172 A177 E178K170-D174 WeakPolarHBondContact CE-OD2 3.28Å; K170-D174 IonicContact NZ-OD1 3.45Å; K170-D174 PolarHBondContact NZ-OD1 3.1Å; K170-D174 IonicContact NZ-OD2 2.72Å; K170-D174 PolarHBondContact NZ-OD2 3.38Å; K170-D174 PolarHBondContact O-N 3.38Å; E171-D174 PolarHBondContact O-N 3.41Å; L172-D174 PolarHBondContact O-N 3.42Å; D174-A177 PolarHBondContact O-N 2.86Å; D174-E178 WeakPolarHBondContact O-CB 3.49Å; D174-E178 PolarHBondContact O-N 2.65Å
175L98.5Very high97.5Very high9 Ų937.2 Ų37.25%0.04719%0.19CC..Hα-helixtrans-65.9-40.1175.8-173.767.3000112.4E171 L172 E178 F179 I373 I376 R377 M380 K382E171-L175 VanDerWaalsContact O-CB 3.24Å; E171-L175 WeakPolarHBondContact O-CB 3.26Å; E171-L175 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 3.19Å; L175-E178 PolarHBondContact O-N 2.68Å; L175-F179 VanDerWaalsContact O-CB 3.31Å; L175-F179 WeakPolarHBondContact O-CB 3.38Å; L175-F179 PolarHBondContact O-N 2.8Å; L175-I373 HydrophobicContact CD2-CB 4.34Å; L175-I373 HydrophobicContact CD2-CG1 4.38Å; L175-I373 HydrophobicContact CD2-CG2 4.09Å; L175-I376 HydrophobicContact CD1-CG2 4.19Å; L175-I376 HydrophobicContact CD2-CB 3.83Å; L175-I376 HydrophobicContact CD2-CG2 3.77Å; L175-I376 HydrophobicContact CG-CB 4.28Å; L175-I376 HydrophobicContact CG-CG2 3.67Å; L175-R377 HydrophobicContact CD1-CG 4.32Å; L175-R377 HydrophobicContact CD2-CG 3.89Å; L175-M380 HydrophobicContact CD1-SD 3.73Å; L175-M380 HydrophobicContact CG-SD 4.49Å; L175-K382 HydrophobicContact CD1-CD 4.42Å
176V98.6Very high97.6Very high2 Ų234.4 Ų34.41%0.01217%0.169CC..Hα-helixtrans-64.3-46.4175.7168.60000110.3L172 E173 E178 F179 V180 A185 V187 F330 Y340 I376L172-V176 HydrophobicContact CD1-CG2 3.78Å; L172-V176 HydrophobicContact CG-CG2 4.37Å; L172-V176 WeakPolarHBondContact O-CB 3.43Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.08Å; E173-V176 PolarHBondContact O-N 3.19Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 3.49Å; V176-F179 PolarHBondContact O-N 3.4Å; V176-V180 VanDerWaalsContact O-CG2 3.28Å; V176-V180 WeakPolarHBondContact O-CG2 3.42Å; V176-V180 PolarHBondContact O-N 2.59Å; V176-A185 HydrophobicContact CB-CB 4.01Å; V176-A185 HydrophobicContact CG1-CB 3.64Å; V176-V187 HydrophobicContact CG2-CG1 4.46Å; V176-F330 HydrophobicContact CG2-CE1 4.06Å; V176-F330 HydrophobicContact CG2-CZ 3.87Å; V176-Y340 HydrophobicContact CG1-CD1 4.03Å; V176-Y340 HydrophobicContact CG1-CD2 3.59Å; V176-Y340 HydrophobicContact CG1-CE1 4.35Å; V176-Y340 HydrophobicContact CG1-CE2 3.97Å; V176-Y340 HydrophobicContact CG1-CG 3.62Å; V176-I376 HydrophobicContact CG2-CD1 3.82Å
177A98.6Very high97.8Very high6 Ų632.6 Ų32.65%0.0516%0.16CC..Hα-helixtrans-57.7-45.2177.900000111.6E173 D174 G181 Q182 A185E173-A177 WeakPolarHBondContact O-CB 3.19Å; E173-A177 PolarHBondContact O-N 3.33Å; D174-A177 PolarHBondContact O-N 2.86Å; A177-G181 PolarHBondContact O-N 3.28Å; A177-Q182 PolarHBondContact O-N 3Å; A177-A185 HydrophobicContact CB-CB 4.16Å
178E98.3Very high97.9Very high98 Ų9824.8 Ų24.846%0.45813%0.126SC..Hα-helixtrans-62.2-46174.8-171.6-170.115700112D174 L175 V176 V180 G181 M380 K382D174-E178 WeakPolarHBondContact O-CB 3.49Å; D174-E178 PolarHBondContact O-N 2.65Å; L175-E178 PolarHBondContact O-N 2.68Å; V176-E178 VanDerWaalsContact C-N 3.32Å; V176-E178 PolarHBondContact O-N 3.49Å; E178-V180 PolarHBondContact O-N 3.42Å; E178-G181 PolarHBondContact O-N 2.91Å; E178-M380 HydrophobicContact CG-CE 3.9Å; E178-M380 VanDerWaalsContact OE1-CE 3.26Å; E178-M380 WeakPolarHBondContact OE1-CE 3.21Å; E178-K382 WeakPolarHBondContact OE1-CE 3.44Å; E178-K382 IonicContact OE1-NZ 3.8Å; E178-K382 PolarHBondContact OE1-NZ 2.93Å; E178-K382 IonicContact OE2-NZ 2.76Å; E178-K382 PolarHBondContact OE2-NZ 2.77Å
179F98.3Very high97.7Very high4 Ų426.5 Ų26.52%0.01814%0.139CC..Hα-helixtrans-61.9-44.5-177.9-177.5-115.8000112.2L175 V176 I302 G309 R310 F334 I376 I379 M380L175-F179 VanDerWaalsContact O-CB 3.31Å; L175-F179 WeakPolarHBondContact O-CB 3.38Å; L175-F179 PolarHBondContact O-N 2.8Å; V176-F179 PolarHBondContact O-N 3.4Å; F179-I302 HydrophobicContact CD1-CD1 4.15Å; F179-I302 HydrophobicContact CE1-CD1 3.6Å; F179-I302 HydrophobicContact CE1-CG1 4Å; F179-G309 WeakPolarHBondContact CZ-O 3.39Å; F179-R310 HydrophobicContact CD2-CG 4.3Å; F179-R310 HydrophobicContact CE2-CG 3.96Å; F179-R310 HydrophobicContact CZ-CG 4.1Å; F179-R310 WeakPolarHBondContact O-CD 3.32Å; F179-R310 VanDerWaalsContact O-CG 3.24Å; F179-R310 WeakPolarHBondContact O-CG 3.21Å; F179-R310 PolarHBondContact O-NE 3.01Å; F179-F334 HydrophobicContact CE1-CE1 4.27Å; F179-F334 AromaticContact CE1-CZ 4Å; F179-F334 HydrophobicContact CE1-CZ 4Å; F179-I376 HydrophobicContact CB-CG2 3.94Å; F179-I376 HydrophobicContact CD2-CG2 4.08Å; F179-I376 HydrophobicContact CG-CG2 3.93Å; F179-I379 HydrophobicContact CE2-CB 4.46Å; F179-I379 HydrophobicContact CE2-CG2 3.67Å; F179-I379 HydrophobicContact CZ-CG2 3.86Å; F179-M380 HydrophobicContact CB-SD 4.16Å; F179-M380 HydrophobicContact CD2-CG 3.61Å; F179-M380 HydrophobicContact CD2-SD 3.98Å; F179-M380 HydrophobicContact CE2-CG 4.14Å
180V97.8Very high97.6Very high11 Ų1131.5 Ų31.57%0.06716%0.163CC..Hα-helixtrans-87-6.1-178.4-53.60000113.6V176 E178 Q182 I302 P320 Y340 A342V176-V180 VanDerWaalsContact O-CG2 3.28Å; V176-V180 WeakPolarHBondContact O-CG2 3.42Å; V176-V180 PolarHBondContact O-N 2.59Å; E178-V180 PolarHBondContact O-N 3.42Å; V180-Q182 HydrophobicContact CG2-CB 3.86Å; V180-Q182 HydrophobicContact CG2-CG 3.72Å; V180-I302 HydrophobicContact CG1-CD1 4.2Å; V180-P320 VanDerWaalsContact O-CB 3.28Å; V180-P320 WeakPolarHBondContact O-CB 3.38Å; V180-Y340 HydrophobicContact CG1-CE2 3.95Å; V180-Y340 WeakPolarHBondContact CG1-OH 3.39Å; V180-A342 HydrophobicContact CG2-CB 3.61Å
181G97.5Very high97.5Very high26 Ų2627.6 Ų27.627%0.26815%0.148SC..THydrogen-bonded Turntrans74.529.6178.800000114.6A177 E178A177-G181 PolarHBondContact O-N 3.28Å; E178-G181 PolarHBondContact O-N 2.91Å
182Q98.4Very high97.4Very high20 Ų2028.2 Ų28.29%0.09315%0.15CC..  trans-108.1162.7178.3-68.4-72.1-0.800111.3A177 V180 A184 P320 I323 S326 A342A177-Q182 PolarHBondContact O-N 3Å; V180-Q182 HydrophobicContact CG2-CB 3.86Å; V180-Q182 HydrophobicContact CG2-CG 3.72Å; Q182-A184 PolarHBondContact O-N 2.76Å; Q182-P320 PolarHBondContact NE2-O 3.42Å; Q182-I323 PolarHBondContact NE2-O 3Å; Q182-S326 PolarHBondContact NE2-OG 3.2Å; Q182-A342 HydrophobicContact CB-CB 3.9Å; Q182-A342 HydrophobicContact CG-CB 3.94Å
183E98.3Very high97.2Very high103 Ų10328.8 Ų28.848%0.48115%0.154SC..SBendtrans-70.2-31.4-176.9-62.7-177.3169.800113.6G343 N344 R345E183-G343 PolarHBondContact N-O 2.99Å; E183-N344 WeakPolarHBondContact OE2-CA 3.02Å; E183-R345 HydrophobicContact CB-CB 4.4Å; E183-R345 PolarHBondContact O-NH2 2.76Å; E183-R345 PolarHBondContact OE2-N 3.32Å
184A98.6Very high97.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-154.3159.1-179.100000110.6Q182 A342 G343 R345 I348Q182-A184 PolarHBondContact O-N 2.76Å; A184-A342 VanDerWaalsContact O-CA 3.26Å; A184-A342 WeakPolarHBondContact O-CA 3.44Å; A184-G343 PolarHBondContact N-O 3.47Å; A184-G343 VanDerWaalsContact N-O 3.12Å; A184-G343 PolarHBondContact O-N 3.46Å; A184-R345 HydrophobicContact CB-CB 4.47Å; A184-I348 HydrophobicContact CB-CB 3.8Å; A184-I348 HydrophobicContact CB-CG1 3.82Å; A184-I348 HydrophobicContact CB-CG2 4.02Å
185A98.6Very high97.1Very high1 Ų125.6 Ų25.61%0.00814%0.137CC..EExtended strand (participates in β ladder)trans-136.3160.3167.600000110.9V176 A177 L341 A342 I348 R352V176-A185 HydrophobicContact CB-CB 4.01Å; V176-A185 HydrophobicContact CG1-CB 3.64Å; A177-A185 HydrophobicContact CB-CB 4.16Å; A185-L341 CarbonylContact C-O 3.54Å; A185-L341 WeakPolarHBondContact CA-O 3.34Å; A185-A342 HydrophobicContact CB-CB 3.86Å; A185-I348 VanDerWaalsContact C-CG2 3.49Å; A185-I348 WeakPolarHBondContact O-CG2 3.28Å; A185-R352 PolarHBondContact O-NH2 3.22Å
186I97.7Very high97Very high5 Ų525.6 Ų25.63%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-129.7138.8168.3-175.6176000108.1F188 Y340 L341 I348 R352 A358I186-F188 HydrophobicContact CB-CZ 4.42Å; I186-F188 HydrophobicContact CD1-CE1 3.88Å; I186-F188 HydrophobicContact CD1-CZ 3.88Å; I186-F188 HydrophobicContact CG1-CE1 4.15Å; I186-F188 HydrophobicContact CG1-CZ 4.01Å; I186-F188 HydrophobicContact CG2-CE2 3.79Å; I186-F188 HydrophobicContact CG2-CZ 3.62Å; I186-Y340 CarbonylContact O-C 3.54Å; I186-Y340 WeakPolarHBondContact O-CA 3.27Å; I186-Y340 WeakPolarHBondContact O-CB 3.38Å; I186-L341 HydrophobicContact CG2-CB 4.02Å; I186-L341 PolarHBondContact N-O 3.07Å; I186-L341 PolarHBondContact O-N 3.25Å; I186-I348 HydrophobicContact CB-CG2 3.83Å; I186-I348 HydrophobicContact CG2-CD1 4.4Å; I186-I348 HydrophobicContact CG2-CG2 4.05Å; I186-R352 HydrophobicContact CD1-CB 4.33Å; I186-R352 HydrophobicContact CD1-CG 3.65Å; I186-R352 HydrophobicContact CG1-CG 4.34Å; I186-A358 HydrophobicContact CD1-CB 4.2Å
187V97.5Very high96.8Very high5 Ų528.2 Ų28.23%0.0315%0.151CC..EExtended strand (participates in β ladder)trans-111.7147.6-178.1-60.60000112.6L172 E173 V176 F330 G339 M364L172-V187 HydrophobicContact CD2-CB 4.33Å; L172-V187 HydrophobicContact CD2-CG1 4.04Å; L172-V187 HydrophobicContact CD2-CG2 4.08Å; L172-V187 HydrophobicContact CG-CG1 3.94Å; E173-V187 HydrophobicContact CG-CB 4.46Å; E173-V187 HydrophobicContact CG-CG1 4.03Å; E173-V187 HydrophobicContact CG-CG2 3.97Å; V176-V187 HydrophobicContact CG2-CG1 4.46Å; V187-F330 HydrophobicContact CB-CE2 4.35Å; V187-F330 HydrophobicContact CG1-CE2 4.08Å; V187-F330 HydrophobicContact CG1-CZ 4.04Å; V187-G339 WeakPolarHBondContact CA-O 3.17Å; V187-M364 HydrophobicContact CB-CE 4.39Å
188F95.9Very high96.7Very high8 Ų827.9 Ų27.94%0.03515%0.149CC..EExtended strand (participates in β ladder)trans-132.3154.3-176.6-52.2-74.3000111.1I186 M190 T194 N198 G338 G339 L341 S355 N357 M364I186-F188 HydrophobicContact CB-CZ 4.42Å; I186-F188 HydrophobicContact CD1-CE1 3.88Å; I186-F188 HydrophobicContact CD1-CZ 3.88Å; I186-F188 HydrophobicContact CG1-CE1 4.15Å; I186-F188 HydrophobicContact CG1-CZ 4.01Å; I186-F188 HydrophobicContact CG2-CE2 3.79Å; I186-F188 HydrophobicContact CG2-CZ 3.62Å; F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 2.98Å; F188-T194 HydrophobicContact CD2-CG2 3.68Å; F188-T194 HydrophobicContact CE2-CG2 4.03Å; F188-N198 WeakPolarHBondContact CE2-ND2 3.47Å; F188-N198 WeakPolarHBondContact CZ-ND2 3.49Å; F188-N198 WeakPolarHBondContact CZ-OD1 3.45Å; F188-G338 CarbonylContact O-C 3.57Å; F188-G338 WeakPolarHBondContact O-CA 3.24Å; F188-G339 PolarHBondContact N-O 3.26Å; F188-G339 PolarHBondContact O-N 3Å; F188-L341 HydrophobicContact CE2-CB 4.3Å; F188-L341 HydrophobicContact CE2-CD1 3.98Å; F188-L341 HydrophobicContact CE2-CG 3.89Å; F188-L341 HydrophobicContact CZ-CD1 4.37Å; F188-S355 WeakPolarHBondContact CE1-OG 3.29Å; F188-N357 HydrophobicContact CD1-CB 3.32Å; F188-N357 HydrophobicContact CE1-CB 3.74Å; F188-N357 HydrophobicContact CG-CB 4.18Å; F188-M364 WeakPolarHBondContact O-CE 3.32Å
189S92.9Very high96.7Very high42 Ų4223.2 Ų23.229%0.29413%0.127SC..SBendtrans-75.3-14.7-174.2490000115G338 C362S189-G338 VanDerWaalsContact C-CA 3.48Å; S189-G338 WeakPolarHBondContact O-CA 3.42Å; S189-C362 PolarHBondContact OG-O 2.8Å
190M93.7Very high96.6Very high105 Ų10524.7 Ų24.752%0.51714%0.137SC..  trans-140.4127.7178.5-173.7-168.3-165.500112.4F188 F192 S193 T194F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 2.98Å; M190-F192 HydrophobicContact CE-CB 3.85Å; M190-F192 HydrophobicContact CG-CB 4.34Å; M190-F192 PolarHBondContact O-N 3.43Å; M190-F192 HydrophobicContact SD-CB 4.22Å; M190-S193 PolarHBondContact O-N 3.25Å; M190-S193 PolarHBondContact O-OG 3.18Å; M190-S193 VanDerWaalsContact O-OG 3.1Å; M190-T194 PolarHBondContact O-N 3.35Å; M190-T194 PolarHBondContact O-OG1 3.21Å; M190-T194 VanDerWaalsContact O-OG1 3.04Å
191G93.7Very high96.5Very high7 Ų724.9 Ų24.97%0.07214%0.139CC..Hα-helixtrans-64-37.8-179.300000114.3T194 M327G191-T194 WeakPolarHBondContact O-CB 3.26Å; G191-T194 PolarHBondContact O-N 2.87Å; G191-M327 VanDerWaalsContact O-CE 3.22Å; G191-M327 WeakPolarHBondContact O-CE 3.32Å
192F96Very high96.4Very high73 Ų7324.4 Ų24.432%0.3213%0.13SC..Hα-helixtrans-62.7-45.7175.8-172.8-78.8000111.4M190 T194 N195 S196 T217 L221M190-F192 HydrophobicContact CE-CB 3.85Å; M190-F192 HydrophobicContact CG-CB 4.34Å; M190-F192 PolarHBondContact O-N 3.43Å; M190-F192 HydrophobicContact SD-CB 4.22Å; F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 2.96Å; F192-N195 PolarHBondContact O-N 3.45Å; F192-S196 PolarHBondContact O-N 2.81Å; F192-S196 PolarHBondContact O-OG 2.77Å; F192-T217 HydrophobicContact CE2-CG2 4.46Å; F192-L221 HydrophobicContact CE1-CD2 3.83Å; F192-L221 HydrophobicContact CZ-CD2 4.03Å
193S94.9Very high96.4Very high12 Ų1223.8 Ų23.88%0.08413%0.128CC..Hα-helixtrans-70.5-26.2-179.680.50000112.5M190 N195 S196 L197 N357M190-S193 PolarHBondContact O-N 3.25Å; M190-S193 PolarHBondContact O-OG 3.18Å; M190-S193 VanDerWaalsContact O-OG 3.1Å; S193-N195 PolarHBondContact O-N 2.47Å; S193-S196 PolarHBondContact O-N 3.02Å; S193-L197 WeakPolarHBondContact O-CB 3.46Å; S193-L197 PolarHBondContact O-N 2.79Å; S193-N357 PolarHBondContact O-ND2 3.34Å; S193-N357 PolarHBondContact OG-ND2 2.9Å; S193-N357 PolarHBondContact OG-OD1 2.74Å
194T96.8Very high96.3Very high0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-52.5-44.3172.3-60.90000111.2F188 M190 G191 F192 N198 M327 L341F188-T194 HydrophobicContact CD2-CG2 3.68Å; F188-T194 HydrophobicContact CE2-CG2 4.03Å; M190-T194 PolarHBondContact O-N 3.35Å; M190-T194 PolarHBondContact O-OG1 3.21Å; M190-T194 VanDerWaalsContact O-OG1 3.04Å; G191-T194 WeakPolarHBondContact O-CB 3.26Å; G191-T194 PolarHBondContact O-N 2.87Å; F192-T194 VanDerWaalsContact C-N 3.29Å; F192-T194 PolarHBondContact O-N 2.96Å; T194-N198 VanDerWaalsContact O-CB 3.29Å; T194-N198 WeakPolarHBondContact O-CB 3.38Å; T194-N198 PolarHBondContact O-ND2 3.14Å; T194-M327 HydrophobicContact CG2-CE 3.92Å; T194-M327 HydrophobicContact CG2-CG 3.82Å; T194-L341 HydrophobicContact CG2-CD2 3.93Å; T194-L341 HydrophobicContact CG2-CG 3.87Å
195N97.5Very high96.2Very high1 Ų128.4 Ų28.41%0.00515%0.149CC..Hα-helixtrans-75.5-56.5175.3-72.6-21.8000111.4F192 S193 L197 N198 L199 S218 L219 Y295 D297 M327F192-N195 PolarHBondContact O-N 3.45Å; S193-N195 PolarHBondContact O-N 2.47Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 2.79Å; N195-N198 PolarHBondContact O-N 3.07Å; N195-L199 PolarHBondContact O-N 2.91Å; N195-S218 PolarHBondContact ND2-OG 3.26Å; N195-L219 HydrophobicContact CB-CD2 3.95Å; N195-L219 HydrophobicContact CB-CG 4.47Å; N195-L219 WeakPolarHBondContact ND2-CD2 3.32Å; N195-Y295 PolarHBondContact OD1-OH 2.96Å; N195-D297 PolarHBondContact ND2-OD2 2.94Å; N195-M327 WeakPolarHBondContact OD1-CE 3.35Å; N195-M327 VanDerWaalsContact OD1-CG 3.23Å; N195-M327 WeakPolarHBondContact OD1-CG 3.26Å; N195-M327 PolarHBondContact OD1-SD 3.04Å
196S96.4Very high96.1Very high8 Ų831 Ų316%0.05616%0.162CC..Hα-helixtrans-66.9-28.4-166.766.80000114F192 S193 P200 L225F192-S196 PolarHBondContact O-N 2.81Å; F192-S196 PolarHBondContact O-OG 2.77Å; S193-S196 PolarHBondContact O-N 3.02Å; S196-P200 WeakPolarHBondContact O-CD 3.47Å; S196-L225 WeakPolarHBondContact O-CD1 3.35Å
197L95.2Very high96.1Very high57 Ų5730.8 Ų30.830%0.29816%0.161SC..THydrogen-bonded Turntrans-105.2-0-175.9-59.3-173.7000114.4S193 N195 Y356 N357S193-L197 WeakPolarHBondContact O-CB 3.46Å; S193-L197 PolarHBondContact O-N 2.79Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 2.79Å; L197-Y356 WeakPolarHBondContact O-CD2 3.26Å; L197-N357 WeakPolarHBondContact CD1-OD1 3.33Å
198N96.7Very high96.1Very high0 Ų030.6 Ų30.60%016%0.16CC..THydrogen-bonded Turntrans-113.4-27.5174.3-68-74.1000113.3F188 T194 N195 P200 C201 L202 L341 S355F188-N198 WeakPolarHBondContact CE2-ND2 3.47Å; F188-N198 WeakPolarHBondContact CZ-ND2 3.49Å; F188-N198 WeakPolarHBondContact CZ-OD1 3.45Å; T194-N198 VanDerWaalsContact O-CB 3.29Å; T194-N198 WeakPolarHBondContact O-CB 3.38Å; T194-N198 PolarHBondContact O-ND2 3.14Å; N195-N198 PolarHBondContact O-N 3.07Å; N198-P200 VanDerWaalsContact C-CD 3.47Å; N198-P200 VanDerWaalsContact C-N 3.31Å; N198-C201 VanDerWaalsContact O-CB 3.3Å; N198-C201 WeakPolarHBondContact O-CB 3.39Å; N198-C201 PolarHBondContact O-N 3.47Å; N198-L202 WeakPolarHBondContact O-CG 3.49Å; N198-L202 PolarHBondContact O-N 2.93Å; N198-L341 HydrophobicContact CB-CD1 3.53Å; N198-S355 WeakPolarHBondContact OD1-CB 3.18Å; N198-S355 PolarHBondContact OD1-OG 2.69Å
199L97.5Very high96.2Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-53.2-42.1172.5-81.1166.5000112.9N195 C201 L202 V203 L219 T226 L264 Y295N195-L199 PolarHBondContact O-N 2.91Å; L199-C201 PolarHBondContact O-N 3.12Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.34Å; L199-V203 PolarHBondContact O-N 3.19Å; L199-V203 VanDerWaalsContact O-N 3.15Å; L199-L219 HydrophobicContact CD1-CD2 4.23Å; L199-T226 HydrophobicContact CB-CG2 4.11Å; L199-L264 HydrophobicContact CD2-CD2 3.95Å; L199-Y295 HydrophobicContact CD2-CD2 3.89Å; L199-Y295 HydrophobicContact CD2-CE2 3.9Å; L199-Y295 HydrophobicContact CD2-CG 4.45Å; L199-Y295 HydrophobicContact CG-CE2 4.28Å
200P96.3Very high96.5Very high34 Ų3428.2 Ų28.222%0.22114%0.144CC..Hα-helixtrans-62.7-21175-24.335.4000115S196 N198 L202 L225 T226 Y356S196-P200 WeakPolarHBondContact O-CD 3.47Å; N198-P200 VanDerWaalsContact C-CD 3.47Å; N198-P200 VanDerWaalsContact C-N 3.31Å; P200-L202 VanDerWaalsContact C-N 3.31Å; P200-L225 HydrophobicContact CG-CB 3.75Å; P200-T226 HydrophobicContact CB-CG2 4.34Å; P200-T226 HydrophobicContact CG-CG2 4.18Å; P200-Y356 HydrophobicContact CB-CE2 4.42Å
201C95.9Very high96.7Very high16 Ų1623.4 Ų23.411%0.10812%0.121CC..Hα-helixtrans-79.1-19.2173.5-53.20000111.9N198 L199 Y350 L351 V354N198-C201 VanDerWaalsContact O-CB 3.3Å; N198-C201 WeakPolarHBondContact O-CB 3.39Å; N198-C201 PolarHBondContact O-N 3.47Å; L199-C201 PolarHBondContact O-N 3.12Å; C201-Y350 WeakPolarHBondContact O-CE1 3.23Å; C201-Y350 PolarHBondContact O-OH 2.9Å; C201-L351 HydrophobicContact CB-CD2 3.97Å; C201-V354 HydrophobicContact CB-CG2 3.86Å
202L96.6Very high97Very high16 Ų1623.1 Ų23.18%0.08412%0.118CC..Hα-helixtrans-99.9-32.5-171.7-63.8170.2000113.1N198 L199 P200 K262 Y295 I325 L347 L351N198-L202 WeakPolarHBondContact O-CG 3.49Å; N198-L202 PolarHBondContact O-N 2.93Å; L199-L202 WeakPolarHBondContact O-CB 3.49Å; L199-L202 PolarHBondContact O-N 3.34Å; P200-L202 VanDerWaalsContact C-N 3.31Å; L202-K262 WeakPolarHBondContact O-CE 3.37Å; L202-K262 PolarHBondContact O-NZ 2.64Å; L202-Y295 HydrophobicContact CD1-CD2 4.03Å; L202-Y295 HydrophobicContact CD1-CE2 3.86Å; L202-I325 HydrophobicContact CD1-CD1 3.47Å; L202-I325 VanDerWaalsContact CD1-CD1 3.47Å; L202-I325 HydrophobicContact CD2-CD1 3.82Å; L202-I325 HydrophobicContact CG-CD1 4.2Å; L202-L347 HydrophobicContact CD2-CD1 3.65Å; L202-L351 HydrophobicContact CD2-CD1 4.47Å; L202-L351 HydrophobicContact CD2-CD2 3.99Å; L202-L351 HydrophobicContact CG-CD2 4.39Å
203V97.1Very high97Very high7 Ų724.1 Ų24.14%0.04212%0.124CC..  trans-140.6151.8-178.1-65.80000110.5L199 C207 V209 T226 A228 L264L199-V203 PolarHBondContact O-N 3.19Å; L199-V203 VanDerWaalsContact O-N 3.15Å; V203-C207 HydrophobicContact CB-CB 3.78Å; V203-C207 HydrophobicContact CG1-CB 4.07Å; V203-V209 HydrophobicContact CG2-CG2 3.82Å; V203-T226 HydrophobicContact CG2-CG2 3.55Å; V203-T226 WeakPolarHBondContact O-CB 2.96Å; V203-A228 HydrophobicContact CG2-CB 4.34Å; V203-L264 HydrophobicContact CG1-CB 4.06Å; V203-L264 HydrophobicContact CG1-CD2 3.94Å
204D96.4Very high97Very high49 Ų4926.6 Ų26.626%0.26214%0.135SC..  trans-130.4-177.9-175.357.634.8000110.4D206 C207 A228 K261D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 WeakPolarHBondContact OD1-CA 3.43Å; D204-D206 WeakPolarHBondContact OD1-CB 3.39Å; D204-D206 PolarHBondContact OD1-N 2.86Å; D204-C207 WeakPolarHBondContact O-CB 3.27Å; D204-C207 PolarHBondContact O-N 3.36Å; D204-C207 PolarHBondContact OD1-N 2.95Å; D204-C207 PolarHBondContact OD1-SG 3.49Å; D204-A228 VanDerWaalsContact O-CA 3.32Å; D204-A228 WeakPolarHBondContact O-CA 3.41Å; D204-A228 VanDerWaalsContact O-CB 3.27Å; D204-A228 WeakPolarHBondContact O-CB 3.45Å; D204-K261 IonicContact OD2-NZ 2.98Å; D204-K261 PolarHBondContact OD2-NZ 2.98Å
205K96Very high97.1Very high151 Ų15127 Ų2766%0.65714%0.138SC*.THydrogen-bonded Turntrans-54.6-19.3177.967.8-179.4-179.7-178.90115.6G227K205-G227 WeakPolarHBondContact CA-O 3.43Å
206D96.6Very high97Very high56 Ų5630.4 Ų30.430%0.29915%0.153SC..THydrogen-bonded Turntrans-94.12.9-179.7-69.4-41.5000112.9D204 R253 K261D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 WeakPolarHBondContact OD1-CA 3.43Å; D204-D206 WeakPolarHBondContact OD1-CB 3.39Å; D204-D206 PolarHBondContact OD1-N 2.86Å; D206-R253 VanDerWaalsContact CB-NH1 3.27Å; D206-R253 PolarHBondContact O-NE 3.19Å; D206-R253 IonicContact OD1-CZ 3.67Å; D206-R253 IonicContact OD1-NH1 2.72Å; D206-R253 PolarHBondContact OD1-NH1 2.96Å; D206-R253 IonicContact OD2-NH1 3.69Å; D206-K261 HydrophobicContact CB-CB 4.38Å; D206-K261 PolarHBondContact O-N 3.05Å
207C98.1Very high97Very high0 Ų034.6 Ų34.60%018%0.179CC..SBendtrans-106164.2178.5-58.50000112V203 D204 A228 T229 Y260 K262V203-C207 HydrophobicContact CB-CB 3.78Å; V203-C207 HydrophobicContact CG1-CB 4.07Å; D204-C207 WeakPolarHBondContact O-CB 3.27Å; D204-C207 PolarHBondContact O-N 3.36Å; D204-C207 PolarHBondContact OD1-N 2.95Å; D204-C207 PolarHBondContact OD1-SG 3.49Å; C207-A228 HydrophobicContact CB-CB 4.43Å; C207-T229 PolarHBondContact O-N 2.88Å; C207-Y260 VanDerWaalsContact C-CD1 3.46Å; C207-K262 WeakPolarHBondContact CA-O 3.45Å; C207-K262 HydrophobicContact CB-CB 4.44Å
208C98.3Very high97.1Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-114.8136170-171.20000110T229 Y260 K262 I263 L264C208-T229 CarbonylContact C-O 3.58Å; C208-T229 WeakPolarHBondContact CA-O 3.23Å; C208-Y260 HydrophobicContact CB-CD1 3.68Å; C208-Y260 HydrophobicContact CB-CD2 3.62Å; C208-Y260 HydrophobicContact CB-CE1 3.72Å; C208-Y260 HydrophobicContact CB-CE2 3.66Å; C208-Y260 HydrophobicContact CB-CG 3.61Å; C208-K262 PolarHBondContact N-O 3.49Å; C208-I263 HydrophobicContact CB-CG1 4.26Å; C208-I263 CarbonylContact O-C 3.42Å; C208-I263 WeakPolarHBondContact O-CA 3.22Å; C208-L264 PolarHBondContact O-N 3.32Å
209V98.5Very high97.1Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-111.3122.7169.5179.60000108.5V203 A228 T229 V230 R231 L264 V266V203-V209 HydrophobicContact CG2-CG2 3.82Å; V209-A228 HydrophobicContact CG2-CB 4Å; V209-T229 PolarHBondContact N-O 3.02Å; V209-V230 HydrophobicContact CB-CG2 4.43Å; V209-V230 CarbonylContact O-C 3.52Å; V209-V230 WeakPolarHBondContact O-CA 3.29Å; V209-R231 PolarHBondContact O-N 3.49Å; V209-L264 CarbonylContact C-O 3.57Å; V209-L264 WeakPolarHBondContact CA-O 3.35Å; V209-V266 HydrophobicContact CG1-CB 4.33Å; V209-V266 HydrophobicContact CG1-CG2 3.57Å
210V98.6Very high97.1Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-100.7104.6173.2-178.50000107.6R231 F233 L241 V244 L245 I263 L264 V265 V266V210-R231 CarbonylContact C-O 3.07Å; V210-R231 VanDerWaalsContact CA-O 3.32Å; V210-R231 WeakPolarHBondContact CA-O 3.39Å; V210-F233 HydrophobicContact CG1-CD1 3.72Å; V210-F233 HydrophobicContact CG1-CE1 4.26Å; V210-L241 HydrophobicContact CG1-CD1 3.57Å; V210-V244 HydrophobicContact CG1-CB 4.38Å; V210-V244 HydrophobicContact CG1-CG1 3.75Å; V210-V244 HydrophobicContact CG2-CG1 4.07Å; V210-L245 HydrophobicContact CG2-CD2 4.06Å; V210-I263 HydrophobicContact CG2-CG2 4.03Å; V210-L264 PolarHBondContact N-O 2.73Å; V210-V265 HydrophobicContact CB-CG2 4.39Å; V210-V265 CarbonylContact O-C 3.56Å; V210-V265 WeakPolarHBondContact O-CA 3.35Å; V210-V266 PolarHBondContact O-N 2.95Å
211S98.5Very high97.2Very high4 Ų435.8 Ų35.83%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-108.9137.3-171.9177.20000110.7N215 R231 R232 F233S211-N215 PolarHBondContact OG-ND2 2.93Å; S211-R231 PolarHBondContact N-O 2.85Å; S211-R232 VanDerWaalsContact O-CA 3.26Å; S211-R232 WeakPolarHBondContact O-CA 3.41Å; S211-F233 VanDerWaalsContact C-CE1 3.4Å; S211-F233 VanDerWaalsContact O-CD1 3.31Å; S211-F233 WeakPolarHBondContact O-CD1 3.27Å; S211-F233 PolarHBondContact O-N 3.32Å; S211-F233 VanDerWaalsContact O-N 3.15Å
212D98.5Very high97.2Very high1 Ų135 Ų351%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-59.2142.9163.7-169.2-72.9000109.1L214 N215 F233 H235 N236 V266 V267 Y271D212-L214 PolarHBondContact O-N 2.83Å; D212-L214 PolarHBondContact OD1-N 2.84Å; D212-N215 PolarHBondContact N-ND2 3.25Å; D212-N215 WeakPolarHBondContact O-CB 3.23Å; D212-N215 PolarHBondContact O-N 2.97Å; D212-F233 VanDerWaalsContact CA-CE1 3.44Å; D212-F233 HydrophobicContact CB-CE1 3.94Å; D212-F233 HydrophobicContact CB-CE2 4.3Å; D212-F233 HydrophobicContact CB-CZ 3.63Å; D212-H235 IonicContact OD1-CE1 3.27Å; D212-H235 IonicContact OD1-CG 2.81Å; D212-H235 IonicContact OD1-ND1 3.44Å; D212-H235 PolarHBondContact OD1-ND1 3.37Å; D212-H235 WeakPolarHBondContact OD2-CA 3.13Å; D212-H235 IonicContact OD2-ND1 3.34Å; D212-H235 PolarHBondContact OD2-ND1 3.45Å; D212-N236 PolarHBondContact OD2-N 3.25Å; D212-V266 PolarHBondContact N-O 2.95Å; D212-V267 HydrophobicContact CB-CG1 4.4Å; D212-Y271 HydrophobicContact CB-CE1 3.94Å; D212-Y271 WeakPolarHBondContact CB-OH 3.38Å; D212-Y271 WeakPolarHBondContact OD1-CE1 3.46Å; D212-Y271 PolarHBondContact OD2-OH 2.71Å; D212-Y271 VanDerWaalsContact OD2-OH 3.11Å
213E96.9Very high97.3Very high95 Ų9534.4 Ų34.444%0.44418%0.177SC..THydrogen-bonded Turntrans-68-23.2-177.471.9-179.4145.800114F233 K234 H235E213-F233 PolarHBondContact N-O 3.31Å; E213-K234 WeakPolarHBondContact OE1-CA 3.26Å; E213-H235 HydrophobicContact CG-CB 3.92Å; E213-H235 PolarHBondContact OE1-N 3.32Å
214L95.8Very high97.2Very high64 Ų6443 Ų4334%0.33521%0.208SC..THydrogen-bonded Turntrans-1029.9-179.7-56.7-172000113.5D212 H216 H235 Y271 E274D212-L214 PolarHBondContact O-N 2.83Å; D212-L214 PolarHBondContact OD1-N 2.84Å; L214-H216 PolarHBondContact O-N 2.72Å; L214-H235 HydrophobicContact CD1-CB 3.82Å; L214-H235 HydrophobicContact CG-CB 3.9Å; L214-Y271 HydrophobicContact CB-CD1 4.05Å; L214-Y271 HydrophobicContact CB-CE1 4.41Å; L214-E274 HydrophobicContact CD1-CG 3.74Å; L214-E274 WeakPolarHBondContact CD1-OE2 3.39Å
215N97.5Very high97.2Very high9 Ų945.2 Ų45.25%0.04822%0.22CC..  trans-52.3141.2173-88.6-22.3000111.9S211 D212 L219 V220 V266 V267 E268S211-N215 PolarHBondContact OG-ND2 2.93Å; D212-N215 PolarHBondContact N-ND2 3.25Å; D212-N215 WeakPolarHBondContact O-CB 3.23Å; D212-N215 PolarHBondContact O-N 2.97Å; N215-L219 HydrophobicContact CB-CB 4.26Å; N215-L219 HydrophobicContact CB-CD1 4.05Å; N215-V220 HydrophobicContact CB-CG2 4.48Å; N215-V220 WeakPolarHBondContact O-CG2 3.42Å; N215-V266 PolarHBondContact ND2-O 3.17Å; N215-V267 WeakPolarHBondContact OD1-CA 3.25Å; N215-E268 WeakPolarHBondContact CA-OE1 3.47Å
216H96.2Very high97.3Very high71 Ų7138.8 Ų38.833%0.32919%0.193SC..  trans-58.9147.9-176.2-176.6-101.2000111.1L214 S218 L219 V220 E268L214-H216 PolarHBondContact O-N 2.72Å; H216-S218 WeakPolarHBondContact ND1-CB 3.16Å; H216-S218 PolarHBondContact ND1-N 3.14Å; H216-S218 PolarHBondContact ND1-OG 3.35Å; H216-S218 PolarHBondContact O-N 3.34Å; H216-L219 WeakPolarHBondContact O-CA 3.44Å; H216-L219 WeakPolarHBondContact O-CB 3.29Å; H216-L219 PolarHBondContact O-N 2.76Å; H216-V220 PolarHBondContact O-N 3.28Å; H216-V220 VanDerWaalsContact O-N 3.1Å; H216-E268 WeakPolarHBondContact CA-OE1 3.21Å; H216-E268 VanDerWaalsContact CB-OE1 3.27Å; H216-E268 WeakPolarHBondContact CB-OE1 3.33Å; H216-E268 PolarHBondContact N-OE1 3Å
217T95.7Very high97.2Very high96 Ų9638.6 Ų38.659%0.58920%0.204SC*.Hα-helixtrans-52.4-31.2-177.2-54.50000113.4F192 V220 L221F192-T217 HydrophobicContact CE2-CG2 4.46Å; T217-V220 PolarHBondContact O-N 3.15Å; T217-L221 VanDerWaalsContact O-CB 3.29Å; T217-L221 WeakPolarHBondContact O-CB 3.39Å; T217-L221 PolarHBondContact O-N 3.29Å
218S97.3Very high97.2Very high3 Ų339.1 Ų39.12%0.02121%0.209CC..Hα-helixtrans-64.5-38.517663.60000113.2N195 H216 G222N195-S218 PolarHBondContact ND2-OG 3.26Å; H216-S218 WeakPolarHBondContact ND1-CB 3.16Å; H216-S218 PolarHBondContact ND1-N 3.14Å; H216-S218 PolarHBondContact ND1-OG 3.35Å; H216-S218 PolarHBondContact O-N 3.34Å; S218-G222 PolarHBondContact O-N 2.89Å; S218-G222 VanDerWaalsContact O-N 3.08Å
219L98Very high97.1Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-70.7-46.5173.8-65.9168.2000110.3N195 L199 N215 H216 L221 G222 C223 V266 E268 Y295 D297N195-L219 HydrophobicContact CB-CD2 3.95Å; N195-L219 HydrophobicContact CB-CG 4.47Å; N195-L219 WeakPolarHBondContact ND2-CD2 3.32Å; L199-L219 HydrophobicContact CD1-CD2 4.23Å; N215-L219 HydrophobicContact CB-CB 4.26Å; N215-L219 HydrophobicContact CB-CD1 4.05Å; H216-L219 WeakPolarHBondContact O-CA 3.44Å; H216-L219 WeakPolarHBondContact O-CB 3.29Å; H216-L219 PolarHBondContact O-N 2.76Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.37Å; L219-G222 PolarHBondContact O-N 2.86Å; L219-C223 WeakPolarHBondContact O-CB 3.32Å; L219-C223 PolarHBondContact O-N 2.94Å; L219-C223 PolarHBondContact O-SG 3.04Å; L219-V266 HydrophobicContact CB-CG1 4.25Å; L219-V266 HydrophobicContact CD1-CG1 4.05Å; L219-V266 HydrophobicContact CD2-CG1 3.77Å; L219-V266 HydrophobicContact CG-CG1 4.24Å; L219-E268 HydrophobicContact CD1-CG 4.05Å; L219-Y295 HydrophobicContact CD2-CD1 4.13Å; L219-Y295 HydrophobicContact CD2-CE1 3.68Å; L219-D297 HydrophobicContact CD1-CB 4Å
220V97.3Very high97.1Very high45 Ų4543.6 Ų43.627%0.27324%0.236SC..Hα-helixtrans-58.5-45.3179.1176.20000111.1N215 H216 T217 C223 R224N215-V220 HydrophobicContact CB-CG2 4.48Å; N215-V220 WeakPolarHBondContact O-CG2 3.42Å; H216-V220 PolarHBondContact O-N 3.28Å; H216-V220 VanDerWaalsContact O-N 3.1Å; T217-V220 PolarHBondContact O-N 3.15Å; V220-C223 PolarHBondContact O-N 3.08Å; V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.87Å
221L97.2Very high97.1Very high68 Ų6847 Ų4736%0.35625%0.249SC..Hα-helixtrans-64.8-45.5176.6-177.563.5000111.4F192 T217 L219 C223 R224 L225F192-L221 HydrophobicContact CE1-CD2 3.83Å; F192-L221 HydrophobicContact CZ-CD2 4.03Å; T217-L221 VanDerWaalsContact O-CB 3.29Å; T217-L221 WeakPolarHBondContact O-CB 3.39Å; T217-L221 PolarHBondContact O-N 3.29Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.37Å; L221-C223 VanDerWaalsContact C-N 3.33Å; L221-C223 PolarHBondContact O-N 2.99Å; L221-R224 PolarHBondContact O-N 2.97Å; L221-R224 VanDerWaalsContact O-N 3.17Å; L221-L225 HydrophobicContact CD1-CG 4.49Å; L221-L225 HydrophobicContact CG-CD1 4.2Å; L221-L225 WeakPolarHBondContact O-CG 3.39Å; L221-L225 PolarHBondContact O-N 2.86Å
222G97.3Very high97Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-58.8-43.2176.600000112.8S218 L219 R224 L225 T226S218-G222 PolarHBondContact O-N 2.89Å; S218-G222 VanDerWaalsContact O-N 3.08Å; L219-G222 PolarHBondContact O-N 2.86Å; G222-R224 PolarHBondContact O-N 3.23Å; G222-L225 PolarHBondContact O-N 3.45Å; G222-T226 WeakPolarHBondContact O-CG2 3.5Å; G222-T226 PolarHBondContact O-N 3.2Å
223C97.5Very high97Very high3 Ų355.6 Ų55.62%0.0228%0.281CS..Hα-helixtrans-60.7-43.8175.1-64.80000111.5L219 V220 L221 L225 T226 V230L219-C223 WeakPolarHBondContact O-CB 3.32Å; L219-C223 PolarHBondContact O-N 2.94Å; L219-C223 PolarHBondContact O-SG 3.04Å; V220-C223 PolarHBondContact O-N 3.08Å; L221-C223 VanDerWaalsContact C-N 3.33Å; L221-C223 PolarHBondContact O-N 2.99Å; C223-L225 PolarHBondContact O-N 3.35Å; C223-T226 PolarHBondContact O-N 3.1Å; C223-T226 PolarHBondContact O-OG1 2.93Å; C223-V230 HydrophobicContact CB-CG2 4.01Å
224R96.2Very high97.1Very high187 Ų18756.9 Ų56.971%0.70629%0.285SS*.Hα-helixtrans-62.5-39.9177.5-73.6174.6-178179.92112.7V220 L221 G222 T226 G227V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.87Å; L221-R224 PolarHBondContact O-N 2.97Å; L221-R224 VanDerWaalsContact O-N 3.17Å; G222-R224 PolarHBondContact O-N 3.23Å; R224-T226 PolarHBondContact O-N 3.41Å; R224-G227 PolarHBondContact O-N 3.23Å
225L96.3Very high97.1Very high97 Ų9755.6 Ų55.651%0.50828%0.277SS..Hα-helixtrans-66.7-21.1-179.5-71.3172.1000113.5S196 P200 L221 G222 C223 G227S196-L225 WeakPolarHBondContact O-CD1 3.35Å; P200-L225 HydrophobicContact CG-CB 3.75Å; L221-L225 HydrophobicContact CD1-CG 4.49Å; L221-L225 HydrophobicContact CG-CD1 4.2Å; L221-L225 WeakPolarHBondContact O-CG 3.39Å; L221-L225 PolarHBondContact O-N 2.86Å; G222-L225 PolarHBondContact O-N 3.45Å; C223-L225 PolarHBondContact O-N 3.35Å; L225-G227 VanDerWaalsContact C-N 3.33Å; L225-G227 PolarHBondContact O-N 3.34Å
226T96.5Very high97Very high15 Ų1555.6 Ų55.69%0.09228%0.277CS..THydrogen-bonded Turntrans-73.9-22.3-178.970.20000114.1L199 P200 V203 G222 C223 R224 A228L199-T226 HydrophobicContact CB-CG2 4.11Å; P200-T226 HydrophobicContact CB-CG2 4.34Å; P200-T226 HydrophobicContact CG-CG2 4.18Å; V203-T226 HydrophobicContact CG2-CG2 3.55Å; V203-T226 WeakPolarHBondContact O-CB 2.96Å; G222-T226 WeakPolarHBondContact O-CG2 3.5Å; G222-T226 PolarHBondContact O-N 3.2Å; C223-T226 PolarHBondContact O-N 3.1Å; C223-T226 PolarHBondContact O-OG1 2.93Å; R224-T226 PolarHBondContact O-N 3.41Å; T226-A228 PolarHBondContact O-N 2.95Å; T226-A228 WeakPolarHBondContact OG1-CB 3.47Å; T226-A228 PolarHBondContact OG1-N 2.88Å
227G95.5Very high97.1Very high52 Ų5253.5 Ų53.554%0.53627%0.268SS..  trans67.82.7-167.700000114.8K205 R224 L225K205-G227 WeakPolarHBondContact CA-O 3.43Å; R224-G227 PolarHBondContact O-N 3.23Å; L225-G227 VanDerWaalsContact C-N 3.33Å; L225-G227 PolarHBondContact O-N 3.34Å
228A97.4Very high97.1Very high11 Ų1149.7 Ų49.79%0.09124%0.244CC..  trans-62.8157.7176.800000111.7V203 D204 C207 V209 T226 V230V203-A228 HydrophobicContact CG2-CB 4.34Å; D204-A228 VanDerWaalsContact O-CA 3.32Å; D204-A228 WeakPolarHBondContact O-CA 3.41Å; D204-A228 VanDerWaalsContact O-CB 3.27Å; D204-A228 WeakPolarHBondContact O-CB 3.45Å; C207-A228 HydrophobicContact CB-CB 4.43Å; V209-A228 HydrophobicContact CG2-CB 4Å; T226-A228 PolarHBondContact O-N 2.95Å; T226-A228 WeakPolarHBondContact OG1-CB 3.47Å; T226-A228 PolarHBondContact OG1-N 2.88Å; A228-V230 PolarHBondContact O-N 2.76Å
229T97.6Very high97.1Very high32 Ų3255.3 Ų55.320%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-70.8115.6169.5-56.10000108.9C207 C208 V209 R231 P254 Y260C207-T229 PolarHBondContact O-N 2.88Å; C208-T229 CarbonylContact C-O 3.58Å; C208-T229 WeakPolarHBondContact CA-O 3.23Å; V209-T229 PolarHBondContact N-O 3.02Å; T229-R231 HydrophobicContact CG2-CG 4.43Å; T229-P254 HydrophobicContact CG2-CG 4.03Å; T229-P254 WeakPolarHBondContact OG1-CD 3.29Å; T229-Y260 WeakPolarHBondContact CB-OH 3.47Å; T229-Y260 VanDerWaalsContact CG2-OH 3.3Å; T229-Y260 WeakPolarHBondContact CG2-OH 3.22Å
230V97.5Very high97.2Very high62 Ų6256.2 Ų56.238%0.37628%0.275SS..EExtended strand (participates in β ladder)trans-97.5119.8177.5-174.50000109.7V209 C223 A228V209-V230 HydrophobicContact CB-CG2 4.43Å; V209-V230 CarbonylContact O-C 3.52Å; V209-V230 WeakPolarHBondContact O-CA 3.29Å; C223-V230 HydrophobicContact CB-CG2 4.01Å; A228-V230 PolarHBondContact O-N 2.76Å
231R97.7Very high97.2Very high73 Ų7354.1 Ų54.128%0.27526%0.262SS..EExtended strand (participates in β ladder)trans-111.4131172-66.8177.9176.5-98.73.7108.7V209 V210 S211 T229 V244 S248V209-R231 PolarHBondContact O-N 3.49Å; V210-R231 CarbonylContact C-O 3.07Å; V210-R231 VanDerWaalsContact CA-O 3.32Å; V210-R231 WeakPolarHBondContact CA-O 3.39Å; S211-R231 PolarHBondContact N-O 2.85Å; T229-R231 HydrophobicContact CG2-CG 4.43Å; R231-V244 HydrophobicContact CB-CG1 3.59Å; R231-S248 VanDerWaalsContact CD-OG 3.23Å; R231-S248 WeakPolarHBondContact CD-OG 3.24Å
232R97.8Very high97.3Very high182 Ų18253.5 Ų53.569%0.68726%0.257SS*.EExtended strand (participates in β ladder)trans-98.8142.4177.7-68.9177.7-71.8160.90.8109.9S211S211-R232 VanDerWaalsContact O-CA 3.26Å; S211-R232 WeakPolarHBondContact O-CA 3.41Å
233F98.5Very high97.4Very high3 Ų358.9 Ų58.91%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-114.7156.6166.870.2-84.2000109.5V210 S211 D212 E213 M238 D240 L241 V244 V267V210-F233 HydrophobicContact CG1-CD1 3.72Å; V210-F233 HydrophobicContact CG1-CE1 4.26Å; S211-F233 VanDerWaalsContact C-CE1 3.4Å; S211-F233 VanDerWaalsContact O-CD1 3.31Å; S211-F233 WeakPolarHBondContact O-CD1 3.27Å; S211-F233 PolarHBondContact O-N 3.32Å; S211-F233 VanDerWaalsContact O-N 3.15Å; D212-F233 VanDerWaalsContact CA-CE1 3.44Å; D212-F233 HydrophobicContact CB-CE1 3.94Å; D212-F233 HydrophobicContact CB-CE2 4.3Å; D212-F233 HydrophobicContact CB-CZ 3.63Å; E213-F233 PolarHBondContact N-O 3.31Å; F233-M238 HydrophobicContact CE2-CE 4.5Å; F233-D240 VanDerWaalsContact CA-OD2 3.29Å; F233-D240 WeakPolarHBondContact CA-OD2 3.36Å; F233-L241 HydrophobicContact CB-CB 4.49Å; F233-L241 HydrophobicContact CD1-CD1 3.77Å; F233-L241 HydrophobicContact CD2-CB 3.74Å; F233-L241 HydrophobicContact CD2-CD1 4.46Å; F233-L241 HydrophobicContact CE1-CD1 3.8Å; F233-L241 HydrophobicContact CE2-CB 4.08Å; F233-L241 HydrophobicContact CG-CB 4.01Å; F233-L241 HydrophobicContact CG-CD1 4.12Å; F233-L241 HydrophobicContact CZ-CD1 4.21Å; F233-L241 HydrophobicContact CZ-CD2 4.42Å; F233-V244 HydrophobicContact CB-CB 4.47Å; F233-V244 HydrophobicContact CB-CG2 4.05Å; F233-V267 HydrophobicContact CE1-CG1 4.31Å; F233-V267 HydrophobicContact CZ-CG1 3.9Å
234K97.9Very high97.4Very high121 Ų12159 Ų5953%0.52628%0.278SS..  trans-59.6142.8178-69.5176.5-175.1173.20111.1E213 N236 D237 D240E213-K234 WeakPolarHBondContact OE1-CA 3.26Å; K234-N236 PolarHBondContact O-N 3.44Å; K234-D237 HydrophobicContact CB-CB 3.86Å; K234-D237 WeakPolarHBondContact O-CB 3.22Å; K234-D237 PolarHBondContact O-N 3.1Å; K234-D237 VanDerWaalsContact O-N 3.08Å; K234-D240 HydrophobicContact CB-CB 4.24Å; K234-D240 HydrophobicContact CG-CB 4.5Å; K234-D240 PolarHBondContact N-OD2 3.32Å
235H96.9Very high97.5Very high37 Ų3750.1 Ų50.117%0.17125%0.245CC..THydrogen-bonded Turntrans-52.3122.1-171.5-179.252.8000112.8D212 E213 L214 D237 Y271 S276D212-H235 IonicContact OD1-CE1 3.27Å; D212-H235 IonicContact OD1-CG 2.81Å; D212-H235 IonicContact OD1-ND1 3.44Å; D212-H235 PolarHBondContact OD1-ND1 3.37Å; D212-H235 WeakPolarHBondContact OD2-CA 3.13Å; D212-H235 IonicContact OD2-ND1 3.34Å; D212-H235 PolarHBondContact OD2-ND1 3.45Å; E213-H235 HydrophobicContact CG-CB 3.92Å; E213-H235 PolarHBondContact OE1-N 3.32Å; L214-H235 HydrophobicContact CD1-CB 3.82Å; L214-H235 HydrophobicContact CG-CB 3.9Å; H235-D237 PolarHBondContact O-N 3Å; H235-Y271 AromaticContact CE1-CD1 3.59Å; H235-Y271 AromaticContact CE1-CD2 3.47Å; H235-Y271 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y271 WeakPolarHBondContact CE1-CD2 3.45Å; H235-Y271 AromaticContact CE1-CE1 3.75Å; H235-Y271 AromaticContact CE1-CE2 3.63Å; H235-Y271 AromaticContact CE1-CG 3.44Å; H235-Y271 VanDerWaalsContact CE1-CG 3.44Å; H235-Y271 AromaticContact CE1-CZ 3.77Å; H235-Y271 AromaticContact ND1-CE1 3.9Å; H235-S276 PolarHBondContact CE1-OG 3.4Å; H235-S276 PolarHBondContact NE2-OG 3.42Å
236N94.8Very high97.6Very high9 Ų950.2 Ų50.25%0.04824%0.243CC..THydrogen-bonded Turntrans53.618.4177.4-148.820.4000114.8D212 K234 I277 H279D212-N236 PolarHBondContact OD2-N 3.25Å; K234-N236 PolarHBondContact O-N 3.44Å; N236-I277 PolarHBondContact ND2-O 3.05Å; N236-I277 VanDerWaalsContact ND2-O 3.08Å; N236-H279 PolarHBondContact ND2-CE1 3.48Å; N236-H279 PolarHBondContact ND2-ND1 3.37Å; N236-H279 PolarHBondContact O-ND1 3.19Å; N236-H279 PolarHBondContact OD1-N 3.03Å; N236-H279 PolarHBondContact OD1-ND1 2.92Å
237D97.3Very high97.7Very high28 Ų2851.3 Ų51.315%0.1525%0.248CC..  trans-94.3103.6-177.6-168.5-5.3000111.2R2 K234 H235 E239 D240 L241R2-D237 IonicContact CZ-OD1 2.76Å; R2-D237 IonicContact NH1-OD1 3.34Å; R2-D237 PolarHBondContact NH1-OD1 3.12Å; R2-D237 IonicContact NH2-OD1 2.63Å; R2-D237 PolarHBondContact NH2-OD1 3.05Å; K234-D237 HydrophobicContact CB-CB 3.86Å; K234-D237 WeakPolarHBondContact O-CB 3.22Å; K234-D237 PolarHBondContact O-N 3.1Å; K234-D237 VanDerWaalsContact O-N 3.08Å; H235-D237 PolarHBondContact O-N 3Å; D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 PolarHBondContact OD1-N 3.42Å; D237-D240 HydrophobicContact CB-CB 4.1Å; D237-D240 PolarHBondContact O-N 3.27Å; D237-L241 WeakPolarHBondContact O-CB 3.21Å; D237-L241 PolarHBondContact O-N 3.32Å
238M97.4Very high97.7Very high16 Ų1648.8 Ų48.88%0.07922%0.222CC..Hα-helixtrans-69.3-28.5-174.1-62.7-58.6100.500113.6F4 F233 L241 E242 H279 E282 V283 L286F4-M238 HydrophobicContact CE1-CB 4.45Å; F4-M238 HydrophobicContact CE1-CG 3.83Å; F4-M238 HydrophobicContact CZ-CG 4.49Å; F233-M238 HydrophobicContact CE2-CE 4.5Å; M238-L241 HydrophobicContact CE-CD2 4.09Å; M238-L241 HydrophobicContact SD-CD2 3.98Å; M238-E242 WeakPolarHBondContact O-CB 3.39Å; M238-E242 PolarHBondContact O-N 2.91Å; M238-H279 HydrophobicContact CE-CB 4.34Å; M238-H279 HydrophobicContact CG-CB 4.11Å; M238-H279 HydrophobicContact SD-CB 4.07Å; M238-E282 HydrophobicContact CG-CB 3.83Å; M238-E282 HydrophobicContact CG-CG 4.48Å; M238-E282 HydrophobicContact SD-CB 3.92Å; M238-V283 HydrophobicContact CE-CG2 3.94Å; M238-V283 HydrophobicContact SD-CG2 3.58Å; M238-V283 VanDerWaalsContact SD-CG2 3.58Å; M238-L286 HydrophobicContact CB-CD1 4.41Å; M238-L286 HydrophobicContact SD-CD1 4.45Å
239E97.7Very high97.7Very high121 Ų12152 Ų5257%0.56524%0.24SC*.Hα-helixtrans-70.3-42.5176.4-71165.3-152.400110.5R2 D237 E242 R243R2-E239 IonicContact CZ-OE1 3.35Å; R2-E239 IonicContact CZ-OE2 3.51Å; R2-E239 IonicContact NE-OE1 3.02Å; R2-E239 PolarHBondContact NE-OE1 3.31Å; R2-E239 VanDerWaalsContact NE-OE1 3.16Å; R2-E239 IonicContact NH2-OE1 2.89Å; R2-E239 PolarHBondContact NH2-OE1 3.29Å; R2-E239 IonicContact NH2-OE2 3.65Å; R2-E239 PolarHBondContact NH2-OE2 2.83Å; D237-E239 VanDerWaalsContact C-N 3.33Å; D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 PolarHBondContact OD1-N 3.42Å; E239-E242 PolarHBondContact O-N 3.25Å; E239-R243 WeakPolarHBondContact O-CB 3.19Å; E239-R243 PolarHBondContact O-N 3.15Å
240D98.5Very high97.6Very high18 Ų1855.1 Ų55.110%0.09626%0.259CS..Hα-helixtrans-70.4-37.3176.4-161.457.7000111.8F233 K234 D237 R243 V244F233-D240 VanDerWaalsContact CA-OD2 3.29Å; F233-D240 WeakPolarHBondContact CA-OD2 3.36Å; K234-D240 HydrophobicContact CB-CB 4.24Å; K234-D240 HydrophobicContact CG-CB 4.5Å; K234-D240 PolarHBondContact N-OD2 3.32Å; D237-D240 HydrophobicContact CB-CB 4.1Å; D237-D240 PolarHBondContact O-N 3.27Å; D240-R243 PolarHBondContact O-N 3.04Å; D240-R243 IonicContact OD1-CZ 3.07Å; D240-R243 IonicContact OD1-NE 2.87Å; D240-R243 PolarHBondContact OD1-NE 3.1Å; D240-R243 IonicContact OD1-NH2 3.16Å; D240-R243 PolarHBondContact OD1-NH2 3.25Å; D240-R243 IonicContact OD2-NH2 3.37Å; D240-V244 VanDerWaalsContact O-CG2 3.29Å; D240-V244 WeakPolarHBondContact O-CG2 3.3Å; D240-V244 PolarHBondContact O-N 3.45Å
241L98.6Very high97.5Very high1 Ų158.5 Ų58.51%0.00527%0.266CS..Hα-helixtrans-57.5-48.3170.8173.757.5000111.2V210 F233 D237 M238 V244 L245 V265 V283 L286V210-L241 HydrophobicContact CG1-CD1 3.57Å; F233-L241 HydrophobicContact CB-CB 4.49Å; F233-L241 HydrophobicContact CD1-CD1 3.77Å; F233-L241 HydrophobicContact CD2-CB 3.74Å; F233-L241 HydrophobicContact CD2-CD1 4.46Å; F233-L241 HydrophobicContact CE1-CD1 3.8Å; F233-L241 HydrophobicContact CE2-CB 4.08Å; F233-L241 HydrophobicContact CG-CB 4.01Å; F233-L241 HydrophobicContact CG-CD1 4.12Å; F233-L241 HydrophobicContact CZ-CD1 4.21Å; F233-L241 HydrophobicContact CZ-CD2 4.42Å; D237-L241 WeakPolarHBondContact O-CB 3.21Å; D237-L241 PolarHBondContact O-N 3.32Å; M238-L241 HydrophobicContact CE-CD2 4.09Å; M238-L241 HydrophobicContact SD-CD2 3.98Å; L241-V244 PolarHBondContact O-N 2.95Å; L241-L245 HydrophobicContact CD1-CD1 3.94Å; L241-L245 HydrophobicContact CD1-CG 4.12Å; L241-L245 HydrophobicContact CG-CD1 4.02Å; L241-L245 WeakPolarHBondContact O-CB 3.4Å; L241-L245 WeakPolarHBondContact O-CG 3.39Å; L241-L245 PolarHBondContact O-N 2.99Å; L241-V265 HydrophobicContact CD1-CG1 4.26Å; L241-V283 HydrophobicContact CD2-CG2 4Å; L241-L286 HydrophobicContact CB-CD1 4.33Å; L241-L286 HydrophobicContact CD2-CD1 3.83Å; L241-L286 HydrophobicContact CG-CD1 3.94Å
242E98.6Very high97.3Very high56 Ų5655.1 Ų55.126%0.26225%0.254SS..Hα-helixtrans-59.8-47.1177.1175.2153.5-143.900111.7M238 E239 V244 L245 Q246 L286 K289 Y290M238-E242 WeakPolarHBondContact O-CB 3.39Å; M238-E242 PolarHBondContact O-N 2.91Å; E239-E242 PolarHBondContact O-N 3.25Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 2.79Å; E242-L245 PolarHBondContact O-N 3.04Å; E242-Q246 WeakPolarHBondContact O-CB 3.48Å; E242-Q246 PolarHBondContact O-N 3.41Å; E242-L286 HydrophobicContact CB-CD1 4.19Å; E242-L286 HydrophobicContact CB-CD2 3.74Å; E242-L286 HydrophobicContact CG-CD2 3.96Å; E242-K289 WeakPolarHBondContact OE1-CE 3.33Å; E242-K289 IonicContact OE1-NZ 2.64Å; E242-K289 PolarHBondContact OE1-NZ 3.34Å; E242-Y290 HydrophobicContact CG-CE2 3.85Å; E242-Y290 WeakPolarHBondContact CG-OH 3.35Å; E242-Y290 PolarHBondContact OE1-OH 3.43Å
243R98.6Very high97.2Very high112 Ų11248.9 Ų48.942%0.42323%0.231SC..Hα-helixtrans-56.1-47176.1-174.6-170.763.270.7-0.4111.5E239 D240 Q246 D247E239-R243 WeakPolarHBondContact O-CB 3.19Å; E239-R243 PolarHBondContact O-N 3.15Å; D240-R243 PolarHBondContact O-N 3.04Å; D240-R243 IonicContact OD1-CZ 3.07Å; D240-R243 IonicContact OD1-NE 2.87Å; D240-R243 PolarHBondContact OD1-NE 3.1Å; D240-R243 IonicContact OD1-NH2 3.16Å; D240-R243 PolarHBondContact OD1-NH2 3.25Å; D240-R243 IonicContact OD2-NH2 3.37Å; R243-Q246 PolarHBondContact O-N 3Å; R243-D247 IonicContact NH1-OD2 3.14Å; R243-D247 PolarHBondContact NH1-OD2 2.92Å; R243-D247 VanDerWaalsContact NH1-OD2 3.14Å; R243-D247 WeakPolarHBondContact O-CB 3.1Å; R243-D247 VanDerWaalsContact O-CG 3.27Å; R243-D247 PolarHBondContact O-N 3.26Å
244V98.4Very high96.8Very high6 Ų652.2 Ų52.24%0.03625%0.252CS..Hα-helixtrans-66.9-37.9179.9173.70000112V210 R231 F233 D240 L241 E242 S248V210-V244 HydrophobicContact CG1-CB 4.38Å; V210-V244 HydrophobicContact CG1-CG1 3.75Å; V210-V244 HydrophobicContact CG2-CG1 4.07Å; R231-V244 HydrophobicContact CB-CG1 3.59Å; F233-V244 HydrophobicContact CB-CB 4.47Å; F233-V244 HydrophobicContact CB-CG2 4.05Å; D240-V244 VanDerWaalsContact O-CG2 3.29Å; D240-V244 WeakPolarHBondContact O-CG2 3.3Å; D240-V244 PolarHBondContact O-N 3.45Å; L241-V244 PolarHBondContact O-N 2.95Å; E242-V244 VanDerWaalsContact C-N 3.33Å; E242-V244 PolarHBondContact O-N 2.79Å; V244-S248 WeakPolarHBondContact O-CB 3.3Å; V244-S248 PolarHBondContact O-N 3.29Å; V244-S248 PolarHBondContact O-OG 2.81Å
245L98.6Very high96.4Very high0 Ų057.8 Ų57.80%027%0.27CS..Hα-helixtrans-63.9-46.9174-77.1168.6000111.3V210 L241 E242 S248 V249 I263 V265 L286 Y290 A292V210-L245 HydrophobicContact CG2-CD2 4.06Å; L241-L245 HydrophobicContact CD1-CD1 3.94Å; L241-L245 HydrophobicContact CD1-CG 4.12Å; L241-L245 HydrophobicContact CG-CD1 4.02Å; L241-L245 WeakPolarHBondContact O-CB 3.4Å; L241-L245 WeakPolarHBondContact O-CG 3.39Å; L241-L245 PolarHBondContact O-N 2.99Å; E242-L245 PolarHBondContact O-N 3.04Å; L245-S248 WeakPolarHBondContact O-CB 3.5Å; L245-S248 PolarHBondContact O-N 3.29Å; L245-V249 WeakPolarHBondContact O-CG2 3.23Å; L245-V249 PolarHBondContact O-N 3.41Å; L245-I263 HydrophobicContact CD2-CG2 3.9Å; L245-V265 HydrophobicContact CD1-CG2 4.48Å; L245-V265 HydrophobicContact CD2-CG2 3.89Å; L245-L286 HydrophobicContact CD1-CB 3.97Å; L245-Y290 HydrophobicContact CB-CD1 4.35Å; L245-Y290 HydrophobicContact CB-CD2 3.85Å; L245-Y290 HydrophobicContact CB-CE2 4.32Å; L245-Y290 HydrophobicContact CB-CG 3.89Å; L245-Y290 HydrophobicContact CD1-CD2 3.93Å; L245-Y290 HydrophobicContact CD1-CG 4.5Å; L245-Y290 HydrophobicContact CG-CD2 4.5Å; L245-A292 HydrophobicContact CD2-CB 4.23Å
246Q97.9Very high96.1Very high100 Ų10059.9 Ų59.947%0.46729%0.286SS..Hα-helixtrans-58.7-49176.2-175.4179.94.800111.3E242 R243 S248 V249 V250 Y290E242-Q246 WeakPolarHBondContact O-CB 3.48Å; E242-Q246 PolarHBondContact O-N 3.41Å; R243-Q246 PolarHBondContact O-N 3Å; Q246-S248 PolarHBondContact O-N 2.9Å; Q246-V249 PolarHBondContact O-N 2.59Å; Q246-V249 VanDerWaalsContact O-N 3.14Å; Q246-V250 HydrophobicContact CG-CG2 4.27Å; Q246-V250 WeakPolarHBondContact O-CB 3.4Å; Q246-V250 WeakPolarHBondContact O-CG2 3.31Å; Q246-V250 PolarHBondContact O-N 2.97Å; Q246-Y290 HydrophobicContact CB-CE1 4.01Å
247D97.5Very high96Very high37 Ų3766.1 Ų66.120%0.19831%0.314CS..Hα-helixtrans-58-39.1176.5-74.1-18.1000111.7R243 V249 Y251R243-D247 IonicContact NH1-OD2 3.14Å; R243-D247 PolarHBondContact NH1-OD2 2.92Å; R243-D247 VanDerWaalsContact NH1-OD2 3.14Å; R243-D247 WeakPolarHBondContact O-CB 3.1Å; R243-D247 VanDerWaalsContact O-CG 3.27Å; R243-D247 PolarHBondContact O-N 3.26Å; D247-V249 VanDerWaalsContact C-N 3.34Å; D247-V249 PolarHBondContact O-N 3.01Å; D247-Y251 HydrophobicContact CB-CD2 3.98Å; D247-Y251 HydrophobicContact CB-CE2 4.2Å; D247-Y251 WeakPolarHBondContact O-CB 3.46Å; D247-Y251 VanDerWaalsContact O-CD2 3.26Å; D247-Y251 WeakPolarHBondContact O-CD2 3.41Å; D247-Y251 PolarHBondContact O-N 2.97Å
248S97.3Very high95.9Very high0 Ų072.9 Ų72.90%034%0.338CS..Hα-helixtrans-66.5-36.4179.2-57.70000112.2R231 V244 L245 Q246 G252 Y260R231-S248 VanDerWaalsContact CD-OG 3.23Å; R231-S248 WeakPolarHBondContact CD-OG 3.24Å; V244-S248 WeakPolarHBondContact O-CB 3.3Å; V244-S248 PolarHBondContact O-N 3.29Å; V244-S248 PolarHBondContact O-OG 2.81Å; L245-S248 WeakPolarHBondContact O-CB 3.5Å; L245-S248 PolarHBondContact O-N 3.29Å; Q246-S248 PolarHBondContact O-N 2.9Å; S248-G252 WeakPolarHBondContact O-CA 3.21Å; S248-G252 PolarHBondContact O-N 2.64Å; S248-Y260 VanDerWaalsContact O-CD2 3.27Å; S248-Y260 WeakPolarHBondContact O-CD2 3.21Å; S248-Y260 WeakPolarHBondContact O-CE2 3.42Å
249V96.6Very high95.8Very high77 Ų7777 Ų7747%0.46737%0.366SS..Hα-helixtrans-74.5-44.7176.7173.70000111.3L245 Q246 D247 I263 Y290L245-V249 WeakPolarHBondContact O-CG2 3.23Å; L245-V249 PolarHBondContact O-N 3.41Å; Q246-V249 PolarHBondContact O-N 2.59Å; Q246-V249 VanDerWaalsContact O-N 3.14Å; D247-V249 VanDerWaalsContact C-N 3.34Å; D247-V249 PolarHBondContact O-N 3.01Å; V249-I263 HydrophobicContact CG2-CD1 3.74Å; V249-Y290 HydrophobicContact CG2-CD1 4.27Å
250V96Very high95.8Very high98 Ų9872.3 Ų72.359%0.59434%0.343SS*.Hα-helixtrans-71.9-49.1-175.1172.30000112.2Q246Q246-V250 HydrophobicContact CG-CG2 4.27Å; Q246-V250 WeakPolarHBondContact O-CB 3.4Å; Q246-V250 WeakPolarHBondContact O-CG2 3.31Å; Q246-V250 PolarHBondContact O-N 2.97Å
251Y95.1Very high95.7Very high133 Ų13377.4 Ų77.452%0.52236%0.364SS..Hα-helixtrans-89.5-21.2-173.4-60.8-65.4000113.7D247 H257D247-Y251 HydrophobicContact CB-CD2 3.98Å; D247-Y251 HydrophobicContact CB-CE2 4.2Å; D247-Y251 WeakPolarHBondContact O-CB 3.46Å; D247-Y251 VanDerWaalsContact O-CD2 3.26Å; D247-Y251 WeakPolarHBondContact O-CD2 3.41Å; D247-Y251 PolarHBondContact O-N 2.97Å; Y251-H257 PolarHBondContact O-ND1 3.21Å
252G94.1Very high95.6Very high3 Ų380.2 Ų80.23%0.03138%0.376CS..  trans59.7-151-179.400000113.7S248 R258 Y260S248-G252 WeakPolarHBondContact O-CA 3.21Å; S248-G252 PolarHBondContact O-N 2.64Å; G252-R258 WeakPolarHBondContact CA-O 3.33Å; G252-Y260 WeakPolarHBondContact O-CE2 3.44Å; G252-Y260 PolarHBondContact O-OH 3.19Å; G252-Y260 VanDerWaalsContact O-OH 3.09Å
253R94.8Very high95.6Very high51 Ų5178.3 Ų78.319%0.19237%0.368CS..SBendtrans-66.3142.9-175.3-66176.3-150.8-170.94.1112D206 T256 H257 R258 P259 Y260D206-R253 VanDerWaalsContact CB-NH1 3.27Å; D206-R253 PolarHBondContact O-NE 3.19Å; D206-R253 IonicContact OD1-CZ 3.67Å; D206-R253 IonicContact OD1-NH1 2.72Å; D206-R253 PolarHBondContact OD1-NH1 2.96Å; D206-R253 IonicContact OD2-NH1 3.69Å; R253-T256 WeakPolarHBondContact CB-OG1 3.41Å; R253-H257 WeakPolarHBondContact O-CA 3.5Å; R253-H257 PolarHBondContact O-N 2.9Å; R253-R258 WeakPolarHBondContact CB-O 3.49Å; R253-R258 WeakPolarHBondContact CG-O 3.13Å; R253-R258 PolarHBondContact N-O 3.13Å; R253-P259 PolarHBondContact NE-O 3.31Å; R253-P259 PolarHBondContact NH2-O 2.89Å; R253-Y260 HydrophobicContact CB-CE1 4.24Å; R253-Y260 HydrophobicContact CG-CD1 3.54Å; R253-Y260 HydrophobicContact CG-CE1 3.71Å; R253-Y260 HydrophobicContact CG-CG 4.25Å
254P90.3Very high95.6Very high72 Ų7273.2 Ų73.247%0.46835%0.349SS..THydrogen-bonded Turntrans-55.3143.1172.7-22.833.5000111.7T229 T256T229-P254 HydrophobicContact CG2-CG 4.03Å; T229-P254 WeakPolarHBondContact OG1-CD 3.29Å; P254-T256 PolarHBondContact O-N 3.4Å
255R88.6Confident95.7Very high239 Ų23973 Ų7390%0.90235%0.347SS*.THydrogen-bonded Turntrans68.1-42.8178.6-48.3176.670.595.90.2115.9
256T91.5Very high95.7Very high81 Ų8173 Ų7350%0.49735%0.347SS..THydrogen-bonded Turntrans-91.3-20.3-175.364.40000113.4R253 P254 R258R253-T256 WeakPolarHBondContact CB-OG1 3.41Å; P254-T256 PolarHBondContact O-N 3.4Å; T256-R258 PolarHBondContact O-N 3.18Å
257H91.8Very high95.7Very high139 Ų13968.2 Ų68.264%0.64433%0.325SS*.  trans54.116.4-174.3-60.1-73000114.3Y251 R253Y251-H257 PolarHBondContact O-ND1 3.21Å; R253-H257 WeakPolarHBondContact O-CA 3.5Å; R253-H257 PolarHBondContact O-N 2.9Å
258R95.7Very high95.8Very high171 Ų17166.6 Ų66.665%0.64532%0.316SS*.PPolyproline II helixtrans-76.2148.6174.9-69.6-175.4177.7-172-0.8109.8G252 R253 T256G252-R258 WeakPolarHBondContact CA-O 3.33Å; R253-R258 WeakPolarHBondContact CB-O 3.49Å; R253-R258 WeakPolarHBondContact CG-O 3.13Å; R253-R258 PolarHBondContact N-O 3.13Å; T256-R258 PolarHBondContact O-N 3.18Å
259P96.2Very high95.8Very high102 Ų10266.6 Ų66.666%0.66232%0.316SS*.PPolyproline II helixtrans-54.9142.6173.4-26.234.8000112.5R253R253-P259 PolarHBondContact NE-O 3.31Å; R253-P259 PolarHBondContact NH2-O 2.89Å
260Y97.6Very high95.9Very high22 Ų2263 Ų639%0.08629%0.294CS..PPolyproline II helixtrans-62.8143.4170.6-69.9-71.6000110.4C207 C208 T229 S248 G252 R253 K262C207-Y260 VanDerWaalsContact C-CD1 3.46Å; C208-Y260 HydrophobicContact CB-CD1 3.68Å; C208-Y260 HydrophobicContact CB-CD2 3.62Å; C208-Y260 HydrophobicContact CB-CE1 3.72Å; C208-Y260 HydrophobicContact CB-CE2 3.66Å; C208-Y260 HydrophobicContact CB-CG 3.61Å; T229-Y260 WeakPolarHBondContact CB-OH 3.47Å; T229-Y260 VanDerWaalsContact CG2-OH 3.3Å; T229-Y260 WeakPolarHBondContact CG2-OH 3.22Å; S248-Y260 VanDerWaalsContact O-CD2 3.27Å; S248-Y260 WeakPolarHBondContact O-CD2 3.21Å; S248-Y260 WeakPolarHBondContact O-CE2 3.42Å; G252-Y260 WeakPolarHBondContact O-CE2 3.44Å; G252-Y260 PolarHBondContact O-OH 3.19Å; G252-Y260 VanDerWaalsContact O-OH 3.09Å; R253-Y260 HydrophobicContact CB-CE1 4.24Å; R253-Y260 HydrophobicContact CG-CD1 3.54Å; R253-Y260 HydrophobicContact CG-CE1 3.71Å; R253-Y260 HydrophobicContact CG-CG 4.25Å; Y260-K262 VanDerWaalsContact C-N 3.3Å
261K96.6Very high96Very high125 Ų12558.3 Ų58.354%0.54327%0.266SS..SBendtrans-63.9-39.8174.6-179.5-177.2170.2-173.10111.1D204 D206D204-K261 IonicContact OD2-NZ 2.98Å; D204-K261 PolarHBondContact OD2-NZ 2.98Å; D206-K261 HydrophobicContact CB-CB 4.38Å; D206-K261 PolarHBondContact O-N 3.05Å
262K97Very high95.9Very high61 Ų6152.4 Ų52.427%0.26524%0.244SC..  trans-147.9148.7177.5-65.7178.3-75-172.10109.8L202 C207 C208 Y260 Y293L202-K262 WeakPolarHBondContact O-CE 3.37Å; L202-K262 PolarHBondContact O-NZ 2.64Å; C207-K262 WeakPolarHBondContact CA-O 3.45Å; C207-K262 HydrophobicContact CB-CB 4.44Å; C208-K262 PolarHBondContact N-O 3.49Å; Y260-K262 VanDerWaalsContact C-N 3.3Å; K262-Y293 HydrophobicContact CB-CD2 4.39Å; K262-Y293 HydrophobicContact CB-CE2 4.32Å; K262-Y293 HydrophobicContact CD-CE2 4.11Å; K262-Y293 HydrophobicContact CG-CD2 4.49Å; K262-Y293 HydrophobicContact CG-CE2 3.99Å
263I98.4Very high95.8Very high16 Ų1654.4 Ų54.48%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-115.8126167.2-57178.4000107.1C208 V210 L245 V249 A292 Y293C208-I263 HydrophobicContact CB-CG1 4.26Å; C208-I263 CarbonylContact O-C 3.42Å; C208-I263 WeakPolarHBondContact O-CA 3.22Å; V210-I263 HydrophobicContact CG2-CG2 4.03Å; L245-I263 HydrophobicContact CD2-CG2 3.9Å; V249-I263 HydrophobicContact CG2-CD1 3.74Å; I263-A292 HydrophobicContact CB-CB 4.13Å; I263-A292 HydrophobicContact CG2-CB 4.05Å; I263-A292 WeakPolarHBondContact O-CA 3.47Å; I263-Y293 PolarHBondContact O-N 3.47Å
264L98.8Very high95.7Very high4 Ų452.9 Ų52.92%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-119.1118.1179.2-176.568.3000109.6L199 V203 C208 V209 V210 V266L199-L264 HydrophobicContact CD2-CD2 3.95Å; V203-L264 HydrophobicContact CG1-CB 4.06Å; V203-L264 HydrophobicContact CG1-CD2 3.94Å; C208-L264 PolarHBondContact O-N 3.32Å; V209-L264 CarbonylContact C-O 3.57Å; V209-L264 WeakPolarHBondContact CA-O 3.35Å; V210-L264 PolarHBondContact N-O 2.73Å; L264-V266 HydrophobicContact CD2-CG2 3.99Å; L264-V266 HydrophobicContact CG-CG2 3.98Å
265V98.8Very high95.9Very high1 Ų149.5 Ų49.51%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-84.6125.7170.6-178.60000108.4V210 L241 L245 V267 V283 A292 Y293 L294 Y295V210-V265 HydrophobicContact CB-CG2 4.39Å; V210-V265 CarbonylContact O-C 3.56Å; V210-V265 WeakPolarHBondContact O-CA 3.35Å; L241-V265 HydrophobicContact CD1-CG1 4.26Å; L245-V265 HydrophobicContact CD1-CG2 4.48Å; L245-V265 HydrophobicContact CD2-CG2 3.89Å; V265-V267 HydrophobicContact CG1-CG1 4.09Å; V265-V283 HydrophobicContact CG1-CG1 4.24Å; V265-A292 HydrophobicContact CG2-CB 4.2Å; V265-Y293 PolarHBondContact N-O 2.81Å; V265-L294 HydrophobicContact CB-CD1 4.31Å; V265-L294 HydrophobicContact CG1-CD1 4.23Å; V265-Y295 PolarHBondContact O-N 3.43Å
266V98.8Very high96.3Very high0 Ų038.1 Ų38.10%018%0.183CC..EExtended strand (participates in β ladder)trans-119.7121.5-178-178.30000108.8V209 V210 D212 N215 L219 L264 Y295V209-V266 HydrophobicContact CG1-CB 4.33Å; V209-V266 HydrophobicContact CG1-CG2 3.57Å; V210-V266 PolarHBondContact O-N 2.95Å; D212-V266 PolarHBondContact N-O 2.95Å; N215-V266 PolarHBondContact ND2-O 3.17Å; L219-V266 HydrophobicContact CB-CG1 4.25Å; L219-V266 HydrophobicContact CD1-CG1 4.05Å; L219-V266 HydrophobicContact CD2-CG1 3.77Å; L219-V266 HydrophobicContact CG-CG1 4.24Å; L264-V266 HydrophobicContact CD2-CG2 3.99Å; L264-V266 HydrophobicContact CG-CG2 3.98Å; V266-Y295 WeakPolarHBondContact CA-O 3.34Å; V266-Y295 HydrophobicContact CG1-CD1 4.34Å
267V98.7Very high96.6Very high0 Ų034.2 Ų34.20%016%0.16CC..EExtended strand (participates in β ladder)trans-147.8157.2-174.3-69.40000111.2D212 N215 F233 V265 L278 L294 Y295 L296 D297D212-V267 HydrophobicContact CB-CG1 4.4Å; N215-V267 WeakPolarHBondContact OD1-CA 3.25Å; F233-V267 HydrophobicContact CE1-CG1 4.31Å; F233-V267 HydrophobicContact CZ-CG1 3.9Å; V265-V267 HydrophobicContact CG1-CG1 4.09Å; V267-L278 HydrophobicContact CB-CD1 3.89Å; V267-L278 HydrophobicContact CB-CD2 4.09Å; V267-L278 HydrophobicContact CG1-CD1 4.07Å; V267-L278 HydrophobicContact CG2-CD1 4.16Å; V267-L278 HydrophobicContact CG2-CD2 3.51Å; V267-L278 HydrophobicContact CG2-CG 4.49Å; V267-L294 HydrophobicContact CG2-CD1 3.61Å; V267-Y295 PolarHBondContact N-O 3.46Å; V267-Y295 VanDerWaalsContact N-O 3.11Å; V267-L296 HydrophobicContact CG2-CD1 3.95Å; V267-L296 WeakPolarHBondContact O-CA 3.25Å; V267-D297 PolarHBondContact O-N 3.38Å
268E98.5Very high96.9Very high3 Ų327.6 Ų27.61%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-96.6148.9170-72.6177.2-125.200111.4N215 H216 L219 Y271 L278 D297N215-E268 WeakPolarHBondContact CA-OE1 3.47Å; H216-E268 WeakPolarHBondContact CA-OE1 3.21Å; H216-E268 VanDerWaalsContact CB-OE1 3.27Å; H216-E268 WeakPolarHBondContact CB-OE1 3.33Å; H216-E268 PolarHBondContact N-OE1 3Å; L219-E268 HydrophobicContact CD1-CG 4.05Å; E268-Y271 HydrophobicContact CB-CD1 4.01Å; E268-Y271 HydrophobicContact CB-CD2 4.11Å; E268-Y271 HydrophobicContact CB-CE1 3.93Å; E268-Y271 HydrophobicContact CB-CE2 4.04Å; E268-Y271 HydrophobicContact CB-CG 4.1Å; E268-Y271 HydrophobicContact CG-CD1 4.4Å; E268-Y271 HydrophobicContact CG-CE1 4.36Å; E268-Y271 PolarHBondContact N-OH 3.11Å; E268-Y271 VanDerWaalsContact O-CE2 3.32Å; E268-Y271 WeakPolarHBondContact O-CE2 3.48Å; E268-L278 WeakPolarHBondContact O-CB 3.14Å; E268-D297 CarbonylContact C-O 3.54Å; E268-D297 WeakPolarHBondContact CA-O 3.5Å; E268-D297 HydrophobicContact CG-CB 4.1Å
269G98.2Very high97Very high0 Ų019.6 Ų19.60%010%0.099CC..SBendtrans-71.8-49172.200000112.3I277 L278 D297 V312G269-I277 WeakPolarHBondContact O-CA 3.38Å; G269-L278 PolarHBondContact O-N 2.86Å; G269-D297 PolarHBondContact N-O 3.16Å; G269-V312 WeakPolarHBondContact O-CG1 3.38Å
270I98.3Very high97.1Very high1 Ų114.8 Ų14.81%0.0057%0.067CC..BIsolated β-bridgetrans-124.3124.3165.6-73.9163.5000109.2S276 I277 H300 L305 P420 V421I270-S276 VanDerWaalsContact CA-O 3.27Å; I270-S276 WeakPolarHBondContact CA-O 3.15Å; I270-I277 HydrophobicContact CD1-CG1 4.48Å; I270-I277 HydrophobicContact CG1-CG1 3.84Å; I270-H300 HydrophobicContact CB-CB 3.68Å; I270-H300 HydrophobicContact CG2-CB 3.75Å; I270-H300 WeakPolarHBondContact O-CB 3.45Å; I270-L305 HydrophobicContact CD1-CD1 3.33Å; I270-L305 HydrophobicContact CD1-CD2 4.22Å; I270-L305 HydrophobicContact CD1-CG 3.55Å; I270-L305 HydrophobicContact CG1-CD1 3.68Å; I270-L305 HydrophobicContact CG1-CG 4.44Å; I270-P420 VanDerWaalsContact CD1-CD 3.46Å; I270-P420 HydrophobicContact CD1-CG 4.12Å; I270-V421 HydrophobicContact CG2-CG2 4.28Å
271Y97.5Very high97.1Very high0 Ų014.4 Ų14.40%07%0.068CC..  trans-77.3129.1178.7-69.5-101.2000111.3D212 L214 H235 E268 M273 G275 S276D212-Y271 HydrophobicContact CB-CE1 3.94Å; D212-Y271 WeakPolarHBondContact CB-OH 3.38Å; D212-Y271 WeakPolarHBondContact OD1-CE1 3.46Å; D212-Y271 PolarHBondContact OD2-OH 2.71Å; D212-Y271 VanDerWaalsContact OD2-OH 3.11Å; L214-Y271 HydrophobicContact CB-CD1 4.05Å; L214-Y271 HydrophobicContact CB-CE1 4.41Å; H235-Y271 AromaticContact CE1-CD1 3.59Å; H235-Y271 AromaticContact CE1-CD2 3.47Å; H235-Y271 VanDerWaalsContact CE1-CD2 3.47Å; H235-Y271 WeakPolarHBondContact CE1-CD2 3.45Å; H235-Y271 AromaticContact CE1-CE1 3.75Å; H235-Y271 AromaticContact CE1-CE2 3.63Å; H235-Y271 AromaticContact CE1-CG 3.44Å; H235-Y271 VanDerWaalsContact CE1-CG 3.44Å; H235-Y271 AromaticContact CE1-CZ 3.77Å; H235-Y271 AromaticContact ND1-CE1 3.9Å; E268-Y271 HydrophobicContact CB-CD1 4.01Å; E268-Y271 HydrophobicContact CB-CD2 4.11Å; E268-Y271 HydrophobicContact CB-CE1 3.93Å; E268-Y271 HydrophobicContact CB-CE2 4.04Å; E268-Y271 HydrophobicContact CB-CG 4.1Å; E268-Y271 HydrophobicContact CG-CD1 4.4Å; E268-Y271 HydrophobicContact CG-CE1 4.36Å; E268-Y271 PolarHBondContact N-OH 3.11Å; E268-Y271 VanDerWaalsContact O-CE2 3.32Å; E268-Y271 WeakPolarHBondContact O-CE2 3.48Å; Y271-M273 VanDerWaalsContact C-N 3.28Å; Y271-M273 PolarHBondContact O-N 3.23Å; Y271-M273 VanDerWaalsContact O-N 3.15Å; Y271-G275 WeakPolarHBondContact O-CA 3.1Å; Y271-G275 PolarHBondContact O-N 2.9Å; Y271-S276 WeakPolarHBondContact CB-OG 3.1Å; Y271-S276 WeakPolarHBondContact CD2-OG 3.25Å; Y271-S276 PolarHBondContact N-O 3.02Å
272S93.2Very high97.1Very high9 Ų910.2 Ų10.26%0.0635%0.05CC..THydrogen-bonded Turntrans-62.3-23.4-169.6700000116.3H300 R462S272-H300 VanDerWaalsContact CB-CD2 3.45Å; S272-H300 WeakPolarHBondContact CB-CD2 3.32Å; S272-H300 WeakPolarHBondContact CB-NE2 3.1Å; S272-R462 WeakPolarHBondContact O-CD 3.38Å; S272-R462 PolarHBondContact O-NH1 2.96Å
273M92.4Very high97.2Very high46 Ų467.3 Ų7.323%0.2274%0.038CC..THydrogen-bonded Turntrans-103.1-43-176.2-64.6-60.616000112.5Y271 P423 V449 R460 R462Y271-M273 VanDerWaalsContact C-N 3.28Å; Y271-M273 PolarHBondContact O-N 3.23Å; Y271-M273 VanDerWaalsContact O-N 3.15Å; M273-P423 WeakPolarHBondContact O-CG 3.31Å; M273-V449 HydrophobicContact SD-CG1 3.99Å; M273-V449 HydrophobicContact SD-CG2 4.34Å; M273-R460 PolarHBondContact O-NH1 2.92Å; M273-R462 VanDerWaalsContact CE-NH1 3.33Å; M273-R462 PolarHBondContact SD-NH1 3.08Å
274E92.1Very high97.2Very high19 Ų197 Ų79%0.0894%0.036CC..THydrogen-bonded Turntrans-85.2-24.4-177.2-73.258.9-128.100111.8F17 L214 S276 Y414 G415 P423 R460F17-E274 HydrophobicContact CE1-CB 4.24Å; L214-E274 HydrophobicContact CD1-CG 3.74Å; L214-E274 WeakPolarHBondContact CD1-OE2 3.39Å; E274-S276 PolarHBondContact O-N 3.26Å; E274-Y414 CarbonylContact O-C 3.59Å; E274-G415 WeakPolarHBondContact O-CA 3.13Å; E274-G415 PolarHBondContact O-N 3.01Å; E274-P423 WeakPolarHBondContact O-CG 3.06Å; E274-R460 IonicContact OE1-CZ 3.67Å; E274-R460 IonicContact OE1-NH1 3.24Å; E274-R460 PolarHBondContact OE1-NH1 2.99Å; E274-R460 IonicContact OE1-NH2 2.64Å; E274-R460 PolarHBondContact OE1-NH2 3.39Å
275G96Very high97.2Very high0 Ų09.7 Ų9.70%06%0.059CC..  trans63.321.4-169.900000112.5Y271 G415 N416 S419Y271-G275 WeakPolarHBondContact O-CA 3.1Å; Y271-G275 PolarHBondContact O-N 2.9Å; G275-G415 WeakPolarHBondContact O-CA 3.42Å; G275-N416 PolarHBondContact O-N 3.03Å; G275-S419 WeakPolarHBondContact O-CB 3.24Å; G275-S419 PolarHBondContact O-OG 3.22Å
276S97.1Very high97.2Very high0 Ų010.4 Ų10.40%06%0.062CC..PPolyproline II helixtrans-74142.1175.653.70000110.6H235 I270 Y271 E274 N416H235-S276 PolarHBondContact CE1-OG 3.4Å; H235-S276 PolarHBondContact NE2-OG 3.42Å; I270-S276 VanDerWaalsContact CA-O 3.27Å; I270-S276 WeakPolarHBondContact CA-O 3.15Å; Y271-S276 WeakPolarHBondContact CB-OG 3.1Å; Y271-S276 WeakPolarHBondContact CD2-OG 3.25Å; Y271-S276 PolarHBondContact N-O 3.02Å; E274-S276 PolarHBondContact O-N 3.26Å; S276-N416 VanDerWaalsContact CA-OD1 3.23Å; S276-N416 WeakPolarHBondContact CA-OD1 3.42Å
277I98Very high97.1Very high0 Ų011.2 Ų11.20%07%0.066CC..BIsolated β-bridgetrans-99.2133.9174.8-64.4173.3000107.7F13 N236 G269 I270 L305 V312 Y315 F316 N416 D418F13-I277 HydrophobicContact CE2-CB 4.07Å; F13-I277 HydrophobicContact CE2-CG2 3.92Å; F13-I277 HydrophobicContact CZ-CB 3.95Å; F13-I277 HydrophobicContact CZ-CG2 4.1Å; N236-I277 PolarHBondContact ND2-O 3.05Å; N236-I277 VanDerWaalsContact ND2-O 3.08Å; G269-I277 WeakPolarHBondContact O-CA 3.38Å; I270-I277 HydrophobicContact CD1-CG1 4.48Å; I270-I277 HydrophobicContact CG1-CG1 3.84Å; I277-L305 HydrophobicContact CD1-CD1 3.86Å; I277-L305 HydrophobicContact CD1-CD2 4.03Å; I277-L305 HydrophobicContact CG1-CD1 4.01Å; I277-L305 HydrophobicContact CG2-CD1 4.25Å; I277-V312 HydrophobicContact CG2-CG1 3.92Å; I277-Y315 HydrophobicContact CD1-CE1 4.41Å; I277-Y315 HydrophobicContact CG2-CD1 4.44Å; I277-Y315 HydrophobicContact CG2-CE1 4.36Å; I277-F316 HydrophobicContact CG2-CE2 4.07Å; I277-F316 HydrophobicContact CG2-CZ 4.27Å; I277-N416 HydrophobicContact CB-CB 4.13Å; I277-N416 HydrophobicContact CD1-CB 3.61Å; I277-N416 HydrophobicContact CG1-CB 3.76Å; I277-N416 PolarHBondContact N-OD1 3.2Å; I277-D418 HydrophobicContact CD1-CB 4.34Å
278L97.9Very high97.1Very high0 Ų016.9 Ų16.90%09%0.091CC..PPolyproline II helixtrans-60.2139.8177.6-174.266.8000112.7V267 E268 G269 L280 V283 L296 F316V267-L278 HydrophobicContact CB-CD1 3.89Å; V267-L278 HydrophobicContact CB-CD2 4.09Å; V267-L278 HydrophobicContact CG1-CD1 4.07Å; V267-L278 HydrophobicContact CG2-CD1 4.16Å; V267-L278 HydrophobicContact CG2-CD2 3.51Å; V267-L278 HydrophobicContact CG2-CG 4.49Å; E268-L278 WeakPolarHBondContact O-CB 3.14Å; G269-L278 PolarHBondContact O-N 2.86Å; L278-L280 HydrophobicContact CD2-CB 4.14Å; L278-L280 HydrophobicContact CD2-CD1 4.01Å; L278-L280 HydrophobicContact CG-CB 4.39Å; L278-L280 PolarHBondContact O-N 2.79Å; L278-V283 HydrophobicContact CD1-CG2 3.97Å; L278-V283 HydrophobicContact CD2-CG2 4.48Å; L278-V283 HydrophobicContact CG-CG2 4.26Å; L278-L296 HydrophobicContact CD2-CD1 3.57Å; L278-F316 WeakPolarHBondContact O-CE2 3.29Å; L278-F316 WeakPolarHBondContact O-CZ 3.49Å
279H96.9Very high97.1Very high3 Ų323.3 Ų23.31%0.01412%0.118CC..  trans-73.562.2164.3-58.6111.9000111.6F4 F13 E15 N236 M238 E282 V283F4-H279 HydrophobicContact CD1-CB 4.18Å; F4-H279 AromaticContact CD1-CD2 3.5Å; F4-H279 VanDerWaalsContact CD1-CD2 3.5Å; F4-H279 WeakPolarHBondContact CD1-CD2 3.42Å; F4-H279 AromaticContact CD1-CG 3.77Å; F4-H279 AromaticContact CD2-CD2 3.53Å; F4-H279 AromaticContact CD2-CE1 3.93Å; F4-H279 AromaticContact CD2-NE2 3.21Å; F4-H279 WeakPolarHBondContact CD2-NE2 3.46Å; F4-H279 HydrophobicContact CE1-CB 4.26Å; F4-H279 AromaticContact CE1-CD2 3.84Å; F4-H279 AromaticContact CE1-CG 3.77Å; F4-H279 AromaticContact CE1-ND1 3.98Å; F4-H279 AromaticContact CE2-CD2 3.84Å; F4-H279 AromaticContact CE2-CE1 3.52Å; F4-H279 AromaticContact CE2-NE2 3.3Å; F4-H279 VanDerWaalsContact CE2-NE2 3.3Å; F4-H279 WeakPolarHBondContact CE2-NE2 3.48Å; F4-H279 AromaticContact CG-CD2 3.32Å; F4-H279 WeakPolarHBondContact CG-CD2 3.29Å; F4-H279 AromaticContact CG-NE2 3.58Å; F4-H279 AromaticContact CZ-CD2 3.99Å; F4-H279 AromaticContact CZ-CE1 3.65Å; F4-H279 AromaticContact CZ-ND1 3.83Å; F4-H279 AromaticContact CZ-NE2 3.76Å; F13-H279 AromaticContact CD1-NE2 3.97Å; F13-H279 AromaticContact CE1-CD2 3.58Å; F13-H279 AromaticContact CE1-NE2 3.29Å; F13-H279 VanDerWaalsContact CE1-NE2 3.29Å; F13-H279 WeakPolarHBondContact CE1-NE2 3.02Å; E15-H279 IonicContact OE2-CE1 2.85Å; E15-H279 IonicContact OE2-NE2 3.2Å; N236-H279 PolarHBondContact ND2-CE1 3.48Å; N236-H279 PolarHBondContact ND2-ND1 3.37Å; N236-H279 PolarHBondContact O-ND1 3.19Å; N236-H279 PolarHBondContact OD1-N 3.03Å; N236-H279 PolarHBondContact OD1-ND1 2.92Å; M238-H279 HydrophobicContact CE-CB 4.34Å; M238-H279 HydrophobicContact CG-CB 4.11Å; M238-H279 HydrophobicContact SD-CB 4.07Å; H279-E282 HydrophobicContact CB-CB 4.33Å; H279-E282 PolarHBondContact O-N 3.25Å; H279-V283 WeakPolarHBondContact O-CG2 3.49Å; H279-V283 PolarHBondContact O-N 3.25Å
280L98.1Very high97.1Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-57.1-43.2-170177.564.4000113.8L278 E282 V283 I284 L294 L296 V312 A313 F316 V318 I323L278-L280 HydrophobicContact CD2-CB 4.14Å; L278-L280 HydrophobicContact CD2-CD1 4.01Å; L278-L280 HydrophobicContact CG-CB 4.39Å; L278-L280 PolarHBondContact O-N 2.79Å; L280-E282 VanDerWaalsContact C-N 3.29Å; L280-E282 PolarHBondContact O-N 3.41Å; L280-V283 PolarHBondContact O-N 3.34Å; L280-I284 HydrophobicContact CD1-CD1 3.9Å; L280-I284 HydrophobicContact CD1-CG1 4Å; L280-I284 HydrophobicContact CD2-CD1 4.4Å; L280-I284 HydrophobicContact CG-CD1 3.8Å; L280-I284 HydrophobicContact CG-CG1 4.34Å; L280-I284 WeakPolarHBondContact O-CG1 3.37Å; L280-I284 PolarHBondContact O-N 2.81Å; L280-L294 HydrophobicContact CD1-CD2 3.95Å; L280-L296 HydrophobicContact CD1-CD2 4.26Å; L280-L296 HydrophobicContact CD2-CD2 4.41Å; L280-V312 HydrophobicContact CD2-CB 4.29Å; L280-V312 HydrophobicContact CD2-CG2 3.81Å; L280-A313 HydrophobicContact CD2-CB 4.31Å; L280-F316 HydrophobicContact CB-CD2 3.99Å; L280-F316 HydrophobicContact CB-CE2 4.2Å; L280-V318 HydrophobicContact CD2-CG2 3.57Å; L280-V318 HydrophobicContact CG-CG2 4.24Å; L280-I323 HydrophobicContact CD1-CG1 4.47Å; L280-I323 HydrophobicContact CD2-CD1 4.33Å
281P97.7Very high97Very high14 Ų1431.9 Ų31.99%0.09116%0.162CC..Hα-helixtrans-58.5-39.6178.7-26.938.2000113.4R5 I284 A285 F316 V318R5-P281 HydrophobicContact CB-CB 3.96Å; R5-P281 HydrophobicContact CB-CG 3.98Å; R5-P281 HydrophobicContact CG-CB 4.37Å; R5-P281 HydrophobicContact CG-CG 4.28Å; P281-I284 PolarHBondContact O-N 3.47Å; P281-A285 PolarHBondContact O-N 2.88Å; P281-F316 HydrophobicContact CG-CB 3.93Å; P281-F316 HydrophobicContact CG-CD1 3.84Å; P281-F316 HydrophobicContact CG-CD2 4.4Å; P281-F316 HydrophobicContact CG-CE1 4.45Å; P281-F316 HydrophobicContact CG-CG 3.81Å; P281-V318 HydrophobicContact CG-CG1 4.06Å
282E97.8Very high97.1Very high37 Ų3732.2 Ų32.217%0.17316%0.164CC..Hα-helixtrans-70.8-41.6178.1-67.174.9-169.500111.1F4 R5 M238 H279 L280 I284 A285 L286F4-E282 WeakPolarHBondContact CA-OE1 3.26Å; F4-E282 HydrophobicContact CD1-CG 3.9Å; F4-E282 HydrophobicContact CE1-CG 4.35Å; R5-E282 PolarHBondContact N-OE1 3.45Å; M238-E282 HydrophobicContact CG-CB 3.83Å; M238-E282 HydrophobicContact CG-CG 4.48Å; M238-E282 HydrophobicContact SD-CB 3.92Å; H279-E282 HydrophobicContact CB-CB 4.33Å; H279-E282 PolarHBondContact O-N 3.25Å; L280-E282 VanDerWaalsContact C-N 3.29Å; L280-E282 PolarHBondContact O-N 3.41Å; E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 2.61Å; E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 3.43Å; E282-L286 WeakPolarHBondContact O-CG 3.17Å; E282-L286 PolarHBondContact O-N 3.23Å
283V98.5Very high97.3Very high1 Ų137.2 Ų37.21%0.00618%0.183CC..Hα-helixtrans-60-42.7173175.10000111.2M238 L241 V265 L278 H279 L280 A285 L286 K287 L294M238-V283 HydrophobicContact CE-CG2 3.94Å; M238-V283 HydrophobicContact SD-CG2 3.58Å; M238-V283 VanDerWaalsContact SD-CG2 3.58Å; L241-V283 HydrophobicContact CD2-CG2 4Å; V265-V283 HydrophobicContact CG1-CG1 4.24Å; L278-V283 HydrophobicContact CD1-CG2 3.97Å; L278-V283 HydrophobicContact CD2-CG2 4.48Å; L278-V283 HydrophobicContact CG-CG2 4.26Å; H279-V283 WeakPolarHBondContact O-CG2 3.49Å; H279-V283 PolarHBondContact O-N 3.25Å; L280-V283 PolarHBondContact O-N 3.34Å; V283-A285 VanDerWaalsContact C-N 3.34Å; V283-A285 PolarHBondContact O-N 3.21Å; V283-L286 PolarHBondContact O-N 3.17Å; V283-K287 VanDerWaalsContact O-CB 3.26Å; V283-K287 WeakPolarHBondContact O-CB 3.44Å; V283-K287 PolarHBondContact O-N 2.98Å; V283-L294 HydrophobicContact CG1-CD1 3.73Å; V283-L294 HydrophobicContact CG1-CD2 4.24Å
284I98.5Very high97.6Very high9 Ų935 Ų355%0.04617%0.172CC..Hα-helixtrans-63.4-40.7176.4-70.4167.2000110.9L280 P281 E282 K287 K288 L294 V318 D322L280-I284 HydrophobicContact CD1-CD1 3.9Å; L280-I284 HydrophobicContact CD1-CG1 4Å; L280-I284 HydrophobicContact CD2-CD1 4.4Å; L280-I284 HydrophobicContact CG-CD1 3.8Å; L280-I284 HydrophobicContact CG-CG1 4.34Å; L280-I284 WeakPolarHBondContact O-CG1 3.37Å; L280-I284 PolarHBondContact O-N 2.81Å; P281-I284 PolarHBondContact O-N 3.47Å; E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 2.61Å; I284-K287 WeakPolarHBondContact O-CB 3.15Å; I284-K287 PolarHBondContact O-N 3.41Å; I284-K288 HydrophobicContact CG2-CD 4.09Å; I284-K288 WeakPolarHBondContact O-CG 3.21Å; I284-K288 PolarHBondContact O-N 2.98Å; I284-L294 HydrophobicContact CG1-CD2 4.26Å; I284-V318 HydrophobicContact CD1-CB 4.16Å; I284-V318 HydrophobicContact CD1-CG1 4.39Å; I284-V318 HydrophobicContact CD1-CG2 3.99Å; I284-D322 HydrophobicContact CD1-CB 3.86Å; I284-D322 HydrophobicContact CG1-CB 4.22Å; I284-D322 HydrophobicContact CG2-CB 3.87Å
285A98.2Very high98Very high60 Ų6034.1 Ų34.150%0.49617%0.168SC..Hα-helixtrans-62.7-44.9176.800000111.6P281 E282 V283 K288 K289P281-A285 PolarHBondContact O-N 2.88Å; E282-A285 WeakPolarHBondContact O-CB 3.4Å; E282-A285 PolarHBondContact O-N 3.43Å; V283-A285 VanDerWaalsContact C-N 3.34Å; V283-A285 PolarHBondContact O-N 3.21Å; A285-K288 PolarHBondContact O-N 3.45Å; A285-K289 WeakPolarHBondContact O-CB 3.47Å; A285-K289 PolarHBondContact O-N 3.33Å
286L98.4Very high98.1Very high16 Ų1634.1 Ų34.18%0.08417%0.168CC..Hα-helixtrans-66.9-42.7177-68.9174.7000112.2M238 L241 E242 L245 E282 V283 K288 K289 Y290M238-L286 HydrophobicContact CB-CD1 4.41Å; M238-L286 HydrophobicContact SD-CD1 4.45Å; L241-L286 HydrophobicContact CB-CD1 4.33Å; L241-L286 HydrophobicContact CD2-CD1 3.83Å; L241-L286 HydrophobicContact CG-CD1 3.94Å; E242-L286 HydrophobicContact CB-CD1 4.19Å; E242-L286 HydrophobicContact CB-CD2 3.74Å; E242-L286 HydrophobicContact CG-CD2 3.96Å; L245-L286 HydrophobicContact CD1-CB 3.97Å; E282-L286 WeakPolarHBondContact O-CG 3.17Å; E282-L286 PolarHBondContact O-N 3.23Å; V283-L286 PolarHBondContact O-N 3.17Å; L286-K288 VanDerWaalsContact C-N 3.3Å; L286-K288 PolarHBondContact O-N 3.46Å; L286-K289 PolarHBondContact O-N 3.17Å; L286-Y290 HydrophobicContact CD2-CD2 4.47Å; L286-Y290 HydrophobicContact CD2-CE2 4.01Å; L286-Y290 WeakPolarHBondContact O-CD2 3.26Å; L286-Y290 PolarHBondContact O-N 3.06Å
287K97.8Very high98.2Very high18 Ų1834.3 Ų34.38%0.07817%0.169CC..Hα-helixtrans-50.7-51.4172.1174.2-156.1159.3169.20110.6V283 I284 N291 A292 L294 D322 D324V283-K287 VanDerWaalsContact O-CB 3.26Å; V283-K287 WeakPolarHBondContact O-CB 3.44Å; V283-K287 PolarHBondContact O-N 2.98Å; I284-K287 WeakPolarHBondContact O-CB 3.15Å; I284-K287 PolarHBondContact O-N 3.41Å; K287-N291 PolarHBondContact O-N 2.99Å; K287-A292 WeakPolarHBondContact CE-O 3.45Å; K287-A292 WeakPolarHBondContact CG-O 3.29Å; K287-A292 PolarHBondContact O-N 3.44Å; K287-L294 HydrophobicContact CD-CB 3.85Å; K287-L294 HydrophobicContact CG-CB 4.43Å; K287-D322 PolarHBondContact NZ-O 2.92Å; K287-D324 WeakPolarHBondContact CE-OD2 3.4Å; K287-D324 IonicContact NZ-OD1 3.91Å; K287-D324 PolarHBondContact NZ-OD1 3.39Å; K287-D324 IonicContact NZ-OD2 2.91Å; K287-D324 PolarHBondContact NZ-OD2 3.45Å
288K98.2Very high98.2Very high119 Ų11934.6 Ų34.652%0.51717%0.17SC..Hα-helixtrans-64.9-43.4179.7-72.6173.8178.6175.50111.7I284 A285 L286 Y290 D322I284-K288 HydrophobicContact CG2-CD 4.09Å; I284-K288 WeakPolarHBondContact O-CG 3.21Å; I284-K288 PolarHBondContact O-N 2.98Å; A285-K288 PolarHBondContact O-N 3.45Å; L286-K288 VanDerWaalsContact C-N 3.3Å; L286-K288 PolarHBondContact O-N 3.46Å; K288-Y290 PolarHBondContact O-N 3.1Å; K288-D322 WeakPolarHBondContact CE-OD1 3.33Å; K288-D322 IonicContact NZ-OD1 2.73Å; K288-D322 PolarHBondContact NZ-OD1 3.26Å; K288-D322 IonicContact NZ-OD2 2.85Å; K288-D322 PolarHBondContact NZ-OD2 3.46Å
289K98.3Very high98.1Very high137 Ų13735 Ų3560%0.59617%0.173SC*.Hα-helixtrans-61-40.4179.7-177.8175.5176.9-179.90113E242 A285 L286E242-K289 WeakPolarHBondContact OE1-CE 3.33Å; E242-K289 IonicContact OE1-NZ 2.64Å; E242-K289 PolarHBondContact OE1-NZ 3.34Å; A285-K289 WeakPolarHBondContact O-CB 3.47Å; A285-K289 PolarHBondContact O-N 3.33Å; L286-K289 PolarHBondContact O-N 3.17Å
290Y98Very high98.2Very high36 Ų3635.1 Ų35.114%0.14117%0.174CC..THydrogen-bonded Turntrans-103.49.6-175.2-66.3-77.6000114.1E242 L245 Q246 V249 L286 K288 A292E242-Y290 HydrophobicContact CG-CE2 3.85Å; E242-Y290 WeakPolarHBondContact CG-OH 3.35Å; E242-Y290 PolarHBondContact OE1-OH 3.43Å; L245-Y290 HydrophobicContact CB-CD1 4.35Å; L245-Y290 HydrophobicContact CB-CD2 3.85Å; L245-Y290 HydrophobicContact CB-CE2 4.32Å; L245-Y290 HydrophobicContact CB-CG 3.89Å; L245-Y290 HydrophobicContact CD1-CD2 3.93Å; L245-Y290 HydrophobicContact CD1-CG 4.5Å; L245-Y290 HydrophobicContact CG-CD2 4.5Å; Q246-Y290 HydrophobicContact CB-CE1 4.01Å; V249-Y290 HydrophobicContact CG2-CD1 4.27Å; L286-Y290 HydrophobicContact CD2-CD2 4.47Å; L286-Y290 HydrophobicContact CD2-CE2 4.01Å; L286-Y290 WeakPolarHBondContact O-CD2 3.26Å; L286-Y290 PolarHBondContact O-N 3.06Å; K288-Y290 PolarHBondContact O-N 3.1Å; Y290-A292 VanDerWaalsContact C-N 3.27Å; Y290-A292 PolarHBondContact O-N 3.39Å
291N97.1Very high98.2Very high146 Ų14635.1 Ų35.178%0.78117%0.174SC*.THydrogen-bonded Turntrans50.745.3-178.8-166.436.7000113.1K287K287-N291 PolarHBondContact O-N 2.99Å
292A98.5Very high98.2Very high6 Ų634.5 Ų34.55%0.0517%0.17CC..  trans-97.8165.9176.900000111.2L245 I263 V265 K287 Y290L245-A292 HydrophobicContact CD2-CB 4.23Å; I263-A292 HydrophobicContact CB-CB 4.13Å; I263-A292 HydrophobicContact CG2-CB 4.05Å; I263-A292 WeakPolarHBondContact O-CA 3.47Å; V265-A292 HydrophobicContact CG2-CB 4.2Å; K287-A292 WeakPolarHBondContact CE-O 3.45Å; K287-A292 WeakPolarHBondContact CG-O 3.29Å; K287-A292 PolarHBondContact O-N 3.44Å; Y290-A292 VanDerWaalsContact C-N 3.27Å; Y290-A292 PolarHBondContact O-N 3.39Å
293Y98.6Very high98.1Very high114 Ų11432.7 Ų32.745%0.44716%0.161SC..EExtended strand (participates in β ladder)trans-97157167.1-63.1-76.6000110.4K262 I263 V265 D324K262-Y293 HydrophobicContact CB-CD2 4.39Å; K262-Y293 HydrophobicContact CB-CE2 4.32Å; K262-Y293 HydrophobicContact CD-CE2 4.11Å; K262-Y293 HydrophobicContact CG-CD2 4.49Å; K262-Y293 HydrophobicContact CG-CE2 3.99Å; I263-Y293 PolarHBondContact O-N 3.47Å; V265-Y293 PolarHBondContact N-O 2.81Å; Y293-D324 VanDerWaalsContact CA-OD2 3.25Å; Y293-D324 WeakPolarHBondContact CA-OD2 3.49Å; Y293-D324 HydrophobicContact CD1-CB 4.21Å
294L98.8Very high98Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-121121.8177.7175.561.9000110.5V265 V267 L280 V283 I284 K287 I323 D324 I325V265-L294 HydrophobicContact CB-CD1 4.31Å; V265-L294 HydrophobicContact CG1-CD1 4.23Å; V267-L294 HydrophobicContact CG2-CD1 3.61Å; L280-L294 HydrophobicContact CD1-CD2 3.95Å; V283-L294 HydrophobicContact CG1-CD1 3.73Å; V283-L294 HydrophobicContact CG1-CD2 4.24Å; I284-L294 HydrophobicContact CG1-CD2 4.26Å; K287-L294 HydrophobicContact CD-CB 3.85Å; K287-L294 HydrophobicContact CG-CB 4.43Å; L294-I323 HydrophobicContact CD2-CG1 4.05Å; L294-I323 HydrophobicContact CD2-CG2 4.47Å; L294-I323 HydrophobicContact CG-CG2 4.47Å; L294-D324 PolarHBondContact N-OD2 3.49Å; L294-D324 PolarHBondContact O-N 2.86Å; L294-I325 PolarHBondContact O-N 3.08Å; L294-I325 VanDerWaalsContact O-N 3.09Å
295Y98.8Very high97.9Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-104.7112.1166.4-168.3-69.3000108.4N195 L199 L202 L219 V265 V266 V267 I325 M327 L341N195-Y295 PolarHBondContact OD1-OH 2.96Å; L199-Y295 HydrophobicContact CD2-CD2 3.89Å; L199-Y295 HydrophobicContact CD2-CE2 3.9Å; L199-Y295 HydrophobicContact CD2-CG 4.45Å; L199-Y295 HydrophobicContact CG-CE2 4.28Å; L202-Y295 HydrophobicContact CD1-CD2 4.03Å; L202-Y295 HydrophobicContact CD1-CE2 3.86Å; L219-Y295 HydrophobicContact CD2-CD1 4.13Å; L219-Y295 HydrophobicContact CD2-CE1 3.68Å; V265-Y295 PolarHBondContact O-N 3.43Å; V266-Y295 WeakPolarHBondContact CA-O 3.34Å; V266-Y295 HydrophobicContact CG1-CD1 4.34Å; V267-Y295 PolarHBondContact N-O 3.46Å; V267-Y295 VanDerWaalsContact N-O 3.11Å; Y295-I325 WeakPolarHBondContact CA-O 3.48Å; Y295-I325 HydrophobicContact CD2-CB 3.83Å; Y295-I325 HydrophobicContact CD2-CD1 4.01Å; Y295-I325 HydrophobicContact CD2-CG1 4.45Å; Y295-I325 HydrophobicContact CD2-CG2 3.65Å; Y295-I325 HydrophobicContact CE2-CB 4.39Å; Y295-I325 HydrophobicContact CE2-CG2 3.69Å; Y295-I325 HydrophobicContact CG-CB 4.29Å; Y295-I325 HydrophobicContact CG-CG2 4.4Å; Y295-M327 HydrophobicContact CE1-CB 3.66Å; Y295-M327 HydrophobicContact CE1-CG 4.25Å; Y295-L341 HydrophobicContact CE2-CD2 4.11Å; Y295-L341 WeakPolarHBondContact OH-CD2 3.24Å
296L98.7Very high97.8Very high0 Ų031 Ų310%015%0.15CC..EExtended strand (participates in β ladder)trans-110.9118.2-178.3178.165.6000110.1V267 L278 L280 E298 V312 I323 I325 M327V267-L296 HydrophobicContact CG2-CD1 3.95Å; V267-L296 WeakPolarHBondContact O-CA 3.25Å; L278-L296 HydrophobicContact CD2-CD1 3.57Å; L280-L296 HydrophobicContact CD1-CD2 4.26Å; L280-L296 HydrophobicContact CD2-CD2 4.41Å; L296-E298 HydrophobicContact CD2-CG 4.04Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.44Å; L296-E298 HydrophobicContact CG-CG 4.08Å; L296-V312 HydrophobicContact CD1-CG2 4.17Å; L296-V312 HydrophobicContact CD2-CG2 3.7Å; L296-V312 HydrophobicContact CG-CG2 4.44Å; L296-I323 HydrophobicContact CB-CG2 3.77Å; L296-I323 HydrophobicContact CD2-CD1 3.53Å; L296-I323 HydrophobicContact CD2-CG1 4.06Å; L296-I323 HydrophobicContact CD2-CG2 4.37Å; L296-I325 PolarHBondContact N-O 2.95Å; L296-M327 PolarHBondContact O-N 3.32Å
297D98.7Very high97.5Very high5 Ų535.8 Ų35.83%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-90.5104.4173-173.4-24.8000110.3N195 L219 V267 E268 G269 A299 M327N195-D297 PolarHBondContact ND2-OD2 2.94Å; L219-D297 HydrophobicContact CD1-CB 4Å; V267-D297 PolarHBondContact O-N 3.38Å; E268-D297 CarbonylContact C-O 3.54Å; E268-D297 WeakPolarHBondContact CA-O 3.5Å; E268-D297 HydrophobicContact CG-CB 4.1Å; G269-D297 PolarHBondContact N-O 3.16Å; D297-A299 VanDerWaalsContact C-N 3.27Å; D297-A299 PolarHBondContact O-N 3.2Å; D297-A299 WeakPolarHBondContact OD1-CA 3.14Å; D297-A299 WeakPolarHBondContact OD1-CB 3.41Å; D297-A299 PolarHBondContact OD1-N 3.46Å; D297-M327 HydrophobicContact CB-SD 4.25Å
298E98Very high97.4Very high5 Ų538.5 Ų38.52%0.02319%0.186CC..  trans-87.115.7179.5-67.2-86.7-164.200112.4L296 H300 S301 I302 G311 V312 M327L296-E298 HydrophobicContact CD2-CG 4.04Å; L296-E298 WeakPolarHBondContact CD2-OE1 3.44Å; L296-E298 HydrophobicContact CG-CG 4.08Å; E298-H300 PolarHBondContact O-N 3.45Å; E298-S301 VanDerWaalsContact CA-OG 3.26Å; E298-S301 WeakPolarHBondContact CA-OG 3.37Å; E298-S301 PolarHBondContact O-N 3.23Å; E298-S301 PolarHBondContact O-OG 3.19Å; E298-S301 WeakPolarHBondContact OE2-CB 3.16Å; E298-S301 PolarHBondContact OE2-OG 3.42Å; E298-I302 HydrophobicContact CB-CB 4.04Å; E298-I302 WeakPolarHBondContact O-CB 3.42Å; E298-I302 WeakPolarHBondContact O-CG2 3.25Å; E298-I302 PolarHBondContact O-N 3.47Å; E298-G311 WeakPolarHBondContact OE2-CA 3.41Å; E298-V312 WeakPolarHBondContact OE1-CG2 3.35Å; E298-V312 PolarHBondContact OE1-N 2.93Å; E298-V312 VanDerWaalsContact OE1-N 3.08Å; E298-V312 PolarHBondContact OE2-N 3.18Å; E298-M327 WeakPolarHBondContact CB-O 3.18Å; E298-M327 PolarHBondContact N-O 2.94Å
299A97.6Very high97.3Very high8 Ų832.9 Ų32.97%0.06616%0.161CC..THydrogen-bonded Turntrans-57.4-29.8-16800000115.3D297 T329 K332D297-A299 VanDerWaalsContact C-N 3.27Å; D297-A299 PolarHBondContact O-N 3.2Å; D297-A299 WeakPolarHBondContact OD1-CA 3.14Å; D297-A299 WeakPolarHBondContact OD1-CB 3.41Å; D297-A299 PolarHBondContact OD1-N 3.46Å; A299-T329 HydrophobicContact CB-CG2 3.57Å; A299-K332 VanDerWaalsContact C-NZ 3.33Å; A299-K332 VanDerWaalsContact CB-NZ 3.35Å; A299-K332 VanDerWaalsContact O-CD 3.26Å; A299-K332 WeakPolarHBondContact O-CD 3.34Å; A299-K332 PolarHBondContact O-NZ 3.03Å; A299-K332 VanDerWaalsContact O-NZ 3.1Å
300H97.8Very high97.2Very high6 Ų629.8 Ų29.83%0.02815%0.146CC..THydrogen-bonded Turntrans-100.8-13.7175.7-81.6-72.1000114.1Y129 Y131 I270 S272 E298 K332Y129-H300 AromaticContact CD1-CE1 3.81Å; Y129-H300 AromaticContact CE1-CE1 3.74Å; Y131-H300 AromaticContact CE2-ND1 3.9Å; Y131-H300 AromaticContact CZ-ND1 3.75Å; Y131-H300 PolarHBondContact OH-CE1 3.47Å; Y131-H300 PolarHBondContact OH-ND1 3.15Å; I270-H300 HydrophobicContact CB-CB 3.68Å; I270-H300 HydrophobicContact CG2-CB 3.75Å; I270-H300 WeakPolarHBondContact O-CB 3.45Å; S272-H300 VanDerWaalsContact CB-CD2 3.45Å; S272-H300 WeakPolarHBondContact CB-CD2 3.32Å; S272-H300 WeakPolarHBondContact CB-NE2 3.1Å; E298-H300 PolarHBondContact O-N 3.45Å; H300-K332 PolarHBondContact CD2-NZ 3.48Å; H300-K332 VanDerWaalsContact CE1-CE 3.48Å; H300-K332 WeakPolarHBondContact CE1-CE 3.24Å; H300-K332 PolarHBondContact CE1-NZ 3.33Å; H300-K332 VanDerWaalsContact CE1-NZ 3.25Å; H300-K332 VanDerWaalsContact CG-NZ 3.33Å; H300-K332 PolarHBondContact ND1-NZ 3.47Å; H300-K332 PolarHBondContact NE2-NZ 3.46Å
301S97.8Very high97.2Very high0 Ų028 Ų280%014%0.139CC..THydrogen-bonded Turntrans-101.5-31.5-175.137.20000113.1E298 G303 A304 L305 G311E298-S301 VanDerWaalsContact CA-OG 3.26Å; E298-S301 WeakPolarHBondContact CA-OG 3.37Å; E298-S301 PolarHBondContact O-N 3.23Å; E298-S301 PolarHBondContact O-OG 3.19Å; E298-S301 WeakPolarHBondContact OE2-CB 3.16Å; E298-S301 PolarHBondContact OE2-OG 3.42Å; S301-G303 PolarHBondContact O-N 2.94Å; S301-A304 PolarHBondContact O-N 3.09Å; S301-L305 PolarHBondContact O-N 2.8Å; S301-G311 WeakPolarHBondContact O-CA 2.93Å
302I98Very high97.2Very high1 Ų121.1 Ų21.11%0.00510%0.102CC..BIsolated β-bridgetrans-61.5127.7174.8-163.468.4000110.3F179 V180 E298 A304 S333 F334F179-I302 HydrophobicContact CD1-CD1 4.15Å; F179-I302 HydrophobicContact CE1-CD1 3.6Å; F179-I302 HydrophobicContact CE1-CG1 4Å; V180-I302 HydrophobicContact CG1-CD1 4.2Å; E298-I302 HydrophobicContact CB-CB 4.04Å; E298-I302 WeakPolarHBondContact O-CB 3.42Å; E298-I302 WeakPolarHBondContact O-CG2 3.25Å; E298-I302 PolarHBondContact O-N 3.47Å; I302-A304 PolarHBondContact O-N 2.97Å; I302-S333 WeakPolarHBondContact O-CB 3.34Å; I302-S333 PolarHBondContact O-OG 2.96Å; I302-F334 HydrophobicContact CB-CE2 4.42Å; I302-F334 HydrophobicContact CG1-CE2 3.87Å; I302-F334 HydrophobicContact CG1-CZ 3.68Å; I302-F334 HydrophobicContact CG2-CE2 3.72Å; I302-F334 HydrophobicContact CG2-CZ 4.36Å
303G96.5Very high97.2Very high0 Ų021.1 Ų21.10%010%0.102CC..THydrogen-bonded Turntrans72.51.9-172.800000115L132 S301 G309 L392L132-G303 VanDerWaalsContact CD1-O 3.24Å; L132-G303 WeakPolarHBondContact CD1-O 3.29Å; L132-G303 VanDerWaalsContact CD2-O 3.25Å; L132-G303 WeakPolarHBondContact CD2-O 3.39Å; L132-G303 WeakPolarHBondContact CG-O 3.39Å; S301-G303 PolarHBondContact O-N 2.94Å; G303-G309 WeakPolarHBondContact CA-O 3.4Å; G303-G309 PolarHBondContact N-O 3.34Å; G303-L392 WeakPolarHBondContact O-CD2 3.49Å
304A96.6Very high97.1Very high12 Ų1216.2 Ų16.210%0.0998%0.084CC..THydrogen-bonded Turntrans-122.1-31.3-17900000114.1Y131 S301 I302 L395 P420Y131-A304 HydrophobicContact CD2-CB 4.09Å; Y131-A304 HydrophobicContact CG-CB 4.44Å; S301-A304 PolarHBondContact O-N 3.09Å; I302-A304 PolarHBondContact O-N 2.97Å; A304-L395 HydrophobicContact CB-CD2 4.05Å; A304-P420 HydrophobicContact CB-CB 4.37Å; A304-P420 HydrophobicContact CB-CG 3.79Å
305L96.1Very high97Very high5 Ų517.1 Ų17.13%0.0269%0.087CC..SBendtrans-113151.2178.8-71-176.3000112.3I270 I277 S301 G309 R310 G311 V312 Y315 D418I270-L305 HydrophobicContact CD1-CD1 3.33Å; I270-L305 HydrophobicContact CD1-CD2 4.22Å; I270-L305 HydrophobicContact CD1-CG 3.55Å; I270-L305 HydrophobicContact CG1-CD1 3.68Å; I270-L305 HydrophobicContact CG1-CG 4.44Å; I277-L305 HydrophobicContact CD1-CD1 3.86Å; I277-L305 HydrophobicContact CD1-CD2 4.03Å; I277-L305 HydrophobicContact CG1-CD1 4.01Å; I277-L305 HydrophobicContact CG2-CD1 4.25Å; S301-L305 PolarHBondContact O-N 2.8Å; L305-G309 CarbonylContact O-C 3.56Å; L305-G309 VanDerWaalsContact O-C 3.28Å; L305-G309 VanDerWaalsContact O-CA 3.23Å; L305-G309 WeakPolarHBondContact O-CA 3.21Å; L305-R310 PolarHBondContact O-N 2.91Å; L305-G311 PolarHBondContact O-N 3.26Å; L305-G311 VanDerWaalsContact O-N 3.12Å; L305-V312 HydrophobicContact CD1-CG1 3.66Å; L305-Y315 HydrophobicContact CB-CD2 4.45Å; L305-Y315 HydrophobicContact CB-CG 4.5Å; L305-Y315 HydrophobicContact CD2-CD2 4.11Å; L305-Y315 HydrophobicContact CD2-CE2 4.32Å; L305-D418 HydrophobicContact CD2-CB 4.21Å; L305-D418 VanDerWaalsContact CD2-O 3.3Å; L305-D418 WeakPolarHBondContact CD2-O 3.3Å
306G95.1Very high97Very high18 Ų1817.4 Ų17.419%0.1869%0.088CC..SBendtrans87.9157.1-179.900000113M308 G309 D314G306-M308 PolarHBondContact O-N 3.49Å; G306-G309 PolarHBondContact O-N 3.44Å; G306-G309 VanDerWaalsContact O-N 3.14Å; G306-D314 WeakPolarHBondContact CA-OD2 3.44Å
307Q92.9Very high96.9Very high115 Ų11519.1 Ų19.154%0.53711%0.107SC..THydrogen-bonded Turntrans-64.8-30.5-177.3-69.8178.7-7.900112.3D314Q307-D314 PolarHBondContact N-OD2 2.91Å; Q307-D314 VanDerWaalsContact N-OD2 3.1Å
308M94.9Very high96.8Very high76 Ų7619.8 Ų19.837%0.37411%0.111SC..THydrogen-bonded Turntrans-102.25.5177.3-59.2-179.9-73.100112.1G306 R310 D314G306-M308 PolarHBondContact O-N 3.49Å; M308-R310 VanDerWaalsContact C-N 3.29Å; M308-R310 HydrophobicContact CB-CG 3.96Å; M308-R310 PolarHBondContact O-N 3.5Å; M308-D314 WeakPolarHBondContact CA-OD2 3.41Å; M308-D314 WeakPolarHBondContact CB-OD2 3.38Å; M308-D314 WeakPolarHBondContact CE-OD1 3.19Å; M308-D314 PolarHBondContact N-OD2 3.29Å
309G96.2Very high96.7Very high0 Ų023.5 Ų23.50%013%0.131CC..SBendtrans68.423.7179.100000114.1F179 G303 L305 G306 G311 D314F179-G309 WeakPolarHBondContact CZ-O 3.39Å; G303-G309 WeakPolarHBondContact CA-O 3.4Å; G303-G309 PolarHBondContact N-O 3.34Å; L305-G309 CarbonylContact O-C 3.56Å; L305-G309 VanDerWaalsContact O-C 3.28Å; L305-G309 VanDerWaalsContact O-CA 3.23Å; L305-G309 WeakPolarHBondContact O-CA 3.21Å; G306-G309 PolarHBondContact O-N 3.44Å; G306-G309 VanDerWaalsContact O-N 3.14Å; G309-G311 VanDerWaalsContact C-N 3.31Å; G309-G311 PolarHBondContact O-N 3.35Å; G309-D314 PolarHBondContact N-OD2 3.41Å
310R96.8Very high96.7Very high72 Ų7224.6 Ų24.627%0.27214%0.137SC..BIsolated β-bridgetrans-90.610.8-174.3-54.8172.4177.2-169.1-1.9114F179 L305 M308 D314F179-R310 HydrophobicContact CD2-CG 4.3Å; F179-R310 HydrophobicContact CE2-CG 3.96Å; F179-R310 HydrophobicContact CZ-CG 4.1Å; F179-R310 WeakPolarHBondContact O-CD 3.32Å; F179-R310 VanDerWaalsContact O-CG 3.24Å; F179-R310 WeakPolarHBondContact O-CG 3.21Å; F179-R310 PolarHBondContact O-NE 3.01Å; L305-R310 PolarHBondContact O-N 2.91Å; M308-R310 VanDerWaalsContact C-N 3.29Å; M308-R310 HydrophobicContact CB-CG 3.96Å; M308-R310 PolarHBondContact O-N 3.5Å; R310-D314 HydrophobicContact CB-CB 3.77Å; R310-D314 PolarHBondContact N-OD2 3.18Å
311G97.7Very high96.7Very high0 Ų032.4 Ų32.40%017%0.166CC..  trans98.7-161177.100000113.7E298 S301 L305 G309 A313 D314 Y315E298-G311 WeakPolarHBondContact OE2-CA 3.41Å; S301-G311 WeakPolarHBondContact O-CA 2.93Å; L305-G311 PolarHBondContact O-N 3.26Å; L305-G311 VanDerWaalsContact O-N 3.12Å; G309-G311 VanDerWaalsContact C-N 3.31Å; G309-G311 PolarHBondContact O-N 3.35Å; G311-A313 VanDerWaalsContact C-N 3.27Å; G311-A313 PolarHBondContact O-N 2.99Å; G311-D314 PolarHBondContact O-N 2.85Å; G311-Y315 PolarHBondContact O-N 3.23Å
312V97.5Very high96.7Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-67.8-27.9-175.5-70.30000112.6G269 I277 L280 L296 E298 L305 D314 Y315 F316G269-V312 WeakPolarHBondContact O-CG1 3.38Å; I277-V312 HydrophobicContact CG2-CG1 3.92Å; L280-V312 HydrophobicContact CD2-CB 4.29Å; L280-V312 HydrophobicContact CD2-CG2 3.81Å; L296-V312 HydrophobicContact CD1-CG2 4.17Å; L296-V312 HydrophobicContact CD2-CG2 3.7Å; L296-V312 HydrophobicContact CG-CG2 4.44Å; E298-V312 WeakPolarHBondContact OE1-CG2 3.35Å; E298-V312 PolarHBondContact OE1-N 2.93Å; E298-V312 VanDerWaalsContact OE1-N 3.08Å; E298-V312 PolarHBondContact OE2-N 3.18Å; L305-V312 HydrophobicContact CD1-CG1 3.66Å; V312-D314 PolarHBondContact O-N 3.14Å; V312-Y315 WeakPolarHBondContact O-CB 3.35Å; V312-Y315 PolarHBondContact O-N 3.34Å; V312-F316 HydrophobicContact CB-CD2 4.46Å; V312-F316 VanDerWaalsContact O-CD2 3.32Å; V312-F316 WeakPolarHBondContact O-CD2 3.39Å; V312-F316 PolarHBondContact O-N 3.26Å
313A97.4Very high96.7Very high7 Ų734.5 Ų34.56%0.05818%0.178CC..Hα-helixtrans-59.4-46.6174.800000112L280 G311 G317 V318 P320 I323L280-A313 HydrophobicContact CD2-CB 4.31Å; G311-A313 VanDerWaalsContact C-N 3.27Å; G311-A313 PolarHBondContact O-N 2.99Å; A313-G317 WeakPolarHBondContact O-CA 3.4Å; A313-G317 PolarHBondContact O-N 2.78Å; A313-V318 HydrophobicContact CB-CG2 4.08Å; A313-V318 PolarHBondContact O-N 3.03Å; A313-P320 HydrophobicContact CB-CG 4.49Å; A313-I323 HydrophobicContact CB-CD1 3.9Å
314D97.4Very high96.8Very high11 Ų1136.5 Ų36.56%0.05919%0.188CC..Hα-helixtrans-71.7-35.1176.7176.237.1000112.3R8 G306 Q307 M308 G309 R310 G311 V312 F316 G317R8-D314 IonicContact NH1-OD1 3.74Å; G306-D314 WeakPolarHBondContact CA-OD2 3.44Å; Q307-D314 PolarHBondContact N-OD2 2.91Å; Q307-D314 VanDerWaalsContact N-OD2 3.1Å; M308-D314 WeakPolarHBondContact CA-OD2 3.41Å; M308-D314 WeakPolarHBondContact CB-OD2 3.38Å; M308-D314 WeakPolarHBondContact CE-OD1 3.19Å; M308-D314 PolarHBondContact N-OD2 3.29Å; G309-D314 PolarHBondContact N-OD2 3.41Å; R310-D314 HydrophobicContact CB-CB 3.77Å; R310-D314 PolarHBondContact N-OD2 3.18Å; G311-D314 PolarHBondContact O-N 2.85Å; V312-D314 PolarHBondContact O-N 3.14Å; D314-F316 PolarHBondContact O-N 3.33Å; D314-G317 PolarHBondContact O-N 3.27Å
315Y97.8Very high96.9Very high18 Ų1836.4 Ų36.47%0.07119%0.186CC..Hα-helixtrans-58.5-44.6174.6-177.1-104.7000113.2P7 R8 F13 I277 L305 G311 V312 D418P7-Y315 HydrophobicContact CB-CD1 4.16Å; P7-Y315 HydrophobicContact CB-CD2 4.43Å; P7-Y315 HydrophobicContact CB-CE1 3.7Å; P7-Y315 HydrophobicContact CB-CE2 4.01Å; P7-Y315 HydrophobicContact CG-CD1 4.42Å; P7-Y315 HydrophobicContact CG-CE1 3.51Å; P7-Y315 HydrophobicContact CG-CE2 4.19Å; P7-Y315 WeakPolarHBondContact CG-OH 3.44Å; R8-Y315 WeakPolarHBondContact CB-O 3.5Å; R8-Y315 PolarHBondContact N-O 3.32Å; F13-Y315 HydrophobicContact CD2-CE1 4.1Å; F13-Y315 AromaticContact CE2-CE1 3.96Å; F13-Y315 HydrophobicContact CE2-CE1 3.96Å; I277-Y315 HydrophobicContact CD1-CE1 4.41Å; I277-Y315 HydrophobicContact CG2-CD1 4.44Å; I277-Y315 HydrophobicContact CG2-CE1 4.36Å; L305-Y315 HydrophobicContact CB-CD2 4.45Å; L305-Y315 HydrophobicContact CB-CG 4.5Å; L305-Y315 HydrophobicContact CD2-CD2 4.11Å; L305-Y315 HydrophobicContact CD2-CE2 4.32Å; G311-Y315 PolarHBondContact O-N 3.23Å; V312-Y315 WeakPolarHBondContact O-CB 3.35Å; V312-Y315 PolarHBondContact O-N 3.34Å; Y315-D418 HydrophobicContact CE2-CB 3.89Å; Y315-D418 PolarHBondContact OH-OD2 2.91Å
316F97.4Very high97Very high6 Ų636.4 Ų36.43%0.02619%0.187CC..Hα-helixtrans-88.1-11.4176.6-69.8-73.2000113.9R5 F13 I277 L278 L280 P281 V312 D314 V318R5-F316 WeakPolarHBondContact O-CE1 3.26Å; F13-F316 HydrophobicContact CD2-CE1 4.08Å; F13-F316 HydrophobicContact CD2-CZ 4.06Å; F13-F316 HydrophobicContact CE2-CE1 4.09Å; F13-F316 AromaticContact CE2-CZ 3.59Å; F13-F316 HydrophobicContact CE2-CZ 3.59Å; F13-F316 HydrophobicContact CZ-CZ 4.16Å; I277-F316 HydrophobicContact CG2-CE2 4.07Å; I277-F316 HydrophobicContact CG2-CZ 4.27Å; L278-F316 WeakPolarHBondContact O-CE2 3.29Å; L278-F316 WeakPolarHBondContact O-CZ 3.49Å; L280-F316 HydrophobicContact CB-CD2 3.99Å; L280-F316 HydrophobicContact CB-CE2 4.2Å; P281-F316 HydrophobicContact CG-CB 3.93Å; P281-F316 HydrophobicContact CG-CD1 3.84Å; P281-F316 HydrophobicContact CG-CD2 4.4Å; P281-F316 HydrophobicContact CG-CE1 4.45Å; P281-F316 HydrophobicContact CG-CG 3.81Å; V312-F316 HydrophobicContact CB-CD2 4.46Å; V312-F316 VanDerWaalsContact O-CD2 3.32Å; V312-F316 WeakPolarHBondContact O-CD2 3.39Å; V312-F316 PolarHBondContact O-N 3.26Å; D314-F316 PolarHBondContact O-N 3.33Å; F316-V318 VanDerWaalsContact C-N 3.31Å; F316-V318 HydrophobicContact CB-CG1 4.07Å
317G96.2Very high97.2Very high37 Ų3735.7 Ų35.738%0.38118%0.179SC..THydrogen-bonded Turntrans64.934.5-174.900000112.9A313 D314A313-G317 WeakPolarHBondContact O-CA 3.4Å; A313-G317 PolarHBondContact O-N 2.78Å; D314-G317 PolarHBondContact O-N 3.27Å
318V96.6Very high97.4Very high18 Ų1830.2 Ų30.211%0.10915%0.153CC..  trans-86.6155.9172.4-62.70000110L280 P281 I284 A313 F316 P320L280-V318 HydrophobicContact CD2-CG2 3.57Å; L280-V318 HydrophobicContact CG-CG2 4.24Å; P281-V318 HydrophobicContact CG-CG1 4.06Å; I284-V318 HydrophobicContact CD1-CB 4.16Å; I284-V318 HydrophobicContact CD1-CG1 4.39Å; I284-V318 HydrophobicContact CD1-CG2 3.99Å; A313-V318 HydrophobicContact CB-CG2 4.08Å; A313-V318 PolarHBondContact O-N 3.03Å; F316-V318 VanDerWaalsContact C-N 3.31Å; F316-V318 HydrophobicContact CB-CG1 4.07Å; V318-P320 VanDerWaalsContact O-CD 3.32Å; V318-P320 WeakPolarHBondContact O-CD 3.46Å
319D97.2Very high97.5Very high83 Ų8327 Ų2744%0.44414%0.137SC..  trans-66.2120.9174.9-173.8-11.8000109.3R321 D322D319-R321 PolarHBondContact O-N 2.85Å; D319-R321 VanDerWaalsContact O-N 3.07Å; D319-R321 WeakPolarHBondContact OD1-CB 3.3Å; D319-R321 WeakPolarHBondContact OD1-CG 3.05Å; D319-R321 PolarHBondContact OD1-N 3.3Å; D319-D322 WeakPolarHBondContact O-CB 3.06Å; D319-D322 PolarHBondContact O-N 3.26Å
320P97.2Very high97.6Very high32 Ų3227 Ų2721%0.20814%0.137CC..G310 helixtrans-54.4-27.6176.1-25.835.1000113.3V180 Q182 A313 V318 D322 I323V180-P320 VanDerWaalsContact O-CB 3.28Å; V180-P320 WeakPolarHBondContact O-CB 3.38Å; Q182-P320 PolarHBondContact NE2-O 3.42Å; A313-P320 HydrophobicContact CB-CG 4.49Å; V318-P320 VanDerWaalsContact O-CD 3.32Å; V318-P320 WeakPolarHBondContact O-CD 3.46Å; P320-D322 PolarHBondContact O-N 3.01Å; P320-I323 WeakPolarHBondContact O-CB 3.5Å; P320-I323 PolarHBondContact O-N 3.11Å
321R97.4Very high97.6Very high169 Ų16926.9 Ų26.964%0.63815%0.145SC*.G310 helixtrans-69.5-12.9179-57.1-178.8-162.8-166.66.9113.9D319 I323D319-R321 PolarHBondContact O-N 2.85Å; D319-R321 VanDerWaalsContact O-N 3.07Å; D319-R321 WeakPolarHBondContact OD1-CB 3.3Å; D319-R321 WeakPolarHBondContact OD1-CG 3.05Å; D319-R321 PolarHBondContact OD1-N 3.3Å; R321-I323 PolarHBondContact O-N 2.77Å
322D97.9Very high97.5Very high43 Ų4327.9 Ų27.923%0.2315%0.149CC..G310 helixtrans-72.3-11.3169.1-83.8-31.1000112.5I284 K287 K288 D319 P320I284-D322 HydrophobicContact CD1-CB 3.86Å; I284-D322 HydrophobicContact CG1-CB 4.22Å; I284-D322 HydrophobicContact CG2-CB 3.87Å; K287-D322 PolarHBondContact NZ-O 2.92Å; K288-D322 WeakPolarHBondContact CE-OD1 3.33Å; K288-D322 IonicContact NZ-OD1 2.73Å; K288-D322 PolarHBondContact NZ-OD1 3.26Å; K288-D322 IonicContact NZ-OD2 2.85Å; K288-D322 PolarHBondContact NZ-OD2 3.46Å; D319-D322 WeakPolarHBondContact O-CB 3.06Å; D319-D322 PolarHBondContact O-N 3.26Å; P320-D322 PolarHBondContact O-N 3.01Å
323I98.5Very high97.5Very high2 Ų227.9 Ų27.91%0.0115%0.149CC..  trans-97122.1171.9-58.2152.8000108.4Q182 L280 L294 L296 A313 P320 R321 S326Q182-I323 PolarHBondContact NE2-O 3Å; L280-I323 HydrophobicContact CD1-CG1 4.47Å; L280-I323 HydrophobicContact CD2-CD1 4.33Å; L294-I323 HydrophobicContact CD2-CG1 4.05Å; L294-I323 HydrophobicContact CD2-CG2 4.47Å; L294-I323 HydrophobicContact CG-CG2 4.47Å; L296-I323 HydrophobicContact CB-CG2 3.77Å; L296-I323 HydrophobicContact CD2-CD1 3.53Å; L296-I323 HydrophobicContact CD2-CG1 4.06Å; L296-I323 HydrophobicContact CD2-CG2 4.37Å; A313-I323 HydrophobicContact CB-CD1 3.9Å; P320-I323 WeakPolarHBondContact O-CB 3.5Å; P320-I323 PolarHBondContact O-N 3.11Å; R321-I323 PolarHBondContact O-N 2.77Å; I323-S326 WeakPolarHBondContact CG2-OG 3.47Å
324D98.5Very high97.4Very high43 Ų4327.6 Ų27.623%0.2315%0.147CC..SBendtrans-76.5-36.3-176.7-49.9-75.3000112K287 Y293 L294K287-D324 WeakPolarHBondContact CE-OD2 3.4Å; K287-D324 IonicContact NZ-OD1 3.91Å; K287-D324 PolarHBondContact NZ-OD1 3.39Å; K287-D324 IonicContact NZ-OD2 2.91Å; K287-D324 PolarHBondContact NZ-OD2 3.45Å; Y293-D324 VanDerWaalsContact CA-OD2 3.25Å; Y293-D324 WeakPolarHBondContact CA-OD2 3.49Å; Y293-D324 HydrophobicContact CD1-CB 4.21Å; L294-D324 PolarHBondContact N-OD2 3.49Å; L294-D324 PolarHBondContact O-N 2.86Å
325I98.6Very high97.3Very high9 Ų928.3 Ų28.35%0.04616%0.157CC..EExtended strand (participates in β ladder)trans-137.1103.7-177.8-43.3-174.6000108.6L202 L294 Y295 L296 L341 L347L202-I325 HydrophobicContact CD1-CD1 3.47Å; L202-I325 VanDerWaalsContact CD1-CD1 3.47Å; L202-I325 HydrophobicContact CD2-CD1 3.82Å; L202-I325 HydrophobicContact CG-CD1 4.2Å; L294-I325 PolarHBondContact O-N 3.08Å; L294-I325 VanDerWaalsContact O-N 3.09Å; Y295-I325 WeakPolarHBondContact CA-O 3.48Å; Y295-I325 HydrophobicContact CD2-CB 3.83Å; Y295-I325 HydrophobicContact CD2-CD1 4.01Å; Y295-I325 HydrophobicContact CD2-CG1 4.45Å; Y295-I325 HydrophobicContact CD2-CG2 3.65Å; Y295-I325 HydrophobicContact CE2-CB 4.39Å; Y295-I325 HydrophobicContact CE2-CG2 3.69Å; Y295-I325 HydrophobicContact CG-CB 4.29Å; Y295-I325 HydrophobicContact CG-CG2 4.4Å; L296-I325 PolarHBondContact N-O 2.95Å; I325-L341 HydrophobicContact CG2-CD2 3.96Å; I325-L347 HydrophobicContact CD1-CD2 4.01Å; I325-L347 HydrophobicContact CG1-CD2 3.71Å
326S98.4Very high97.2Very high6 Ų628.4 Ų28.44%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-91.3116.6171.7-57.80000108.8Q182 I323 L341 A342Q182-S326 PolarHBondContact NE2-OG 3.2Å; I323-S326 WeakPolarHBondContact CG2-OG 3.47Å; S326-L341 CarbonylContact O-C 3.57Å; S326-L341 WeakPolarHBondContact O-CA 3.22Å; S326-A342 PolarHBondContact N-O 3.47Å; S326-A342 PolarHBondContact O-N 3.13Å
327M98.4Very high97.1Very high3 Ų330.1 Ų30.12%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-104.1144.5172.3-175.6-87.6-172.600109.7G191 T194 N195 Y295 L296 D297 E298 Y340 L341G191-M327 VanDerWaalsContact O-CE 3.22Å; G191-M327 WeakPolarHBondContact O-CE 3.32Å; T194-M327 HydrophobicContact CG2-CE 3.92Å; T194-M327 HydrophobicContact CG2-CG 3.82Å; N195-M327 WeakPolarHBondContact OD1-CE 3.35Å; N195-M327 VanDerWaalsContact OD1-CG 3.23Å; N195-M327 WeakPolarHBondContact OD1-CG 3.26Å; N195-M327 PolarHBondContact OD1-SD 3.04Å; Y295-M327 HydrophobicContact CE1-CB 3.66Å; Y295-M327 HydrophobicContact CE1-CG 4.25Å; L296-M327 PolarHBondContact O-N 3.32Å; D297-M327 HydrophobicContact CB-SD 4.25Å; E298-M327 WeakPolarHBondContact CB-O 3.18Å; E298-M327 PolarHBondContact N-O 2.94Å; M327-Y340 WeakPolarHBondContact CA-O 3.38Å; M327-L341 HydrophobicContact CB-CD2 3.65Å; M327-L341 HydrophobicContact CG-CD2 3.74Å
328G97.8Very high97.1Very high0 Ų028.4 Ų28.40%016%0.155CC..EExtended strand (participates in β ladder)trans-149.7170.8167.100000112.2G339 Y340G328-G339 CarbonylContact O-C 3.42Å; G328-G339 WeakPolarHBondContact O-CA 3.38Å; G328-Y340 VanDerWaalsContact CA-CE1 3.49Å; G328-Y340 PolarHBondContact N-O 3.28Å; G328-Y340 PolarHBondContact O-N 3.28Å
329T97.7Very high97.2Very high7 Ų727.6 Ų27.64%0.04315%0.15CC..EExtended strand (participates in β ladder)trans-120.9148176-169.20000111.7A299 T331 K332 G338A299-T329 HydrophobicContact CB-CG2 3.57Å; T329-T331 WeakPolarHBondContact OG1-CG2 3.31Å; T329-T331 PolarHBondContact OG1-N 3.31Å; T329-T331 PolarHBondContact OG1-OG1 3.01Å; T329-K332 HydrophobicContact CG2-CD 4.34Å; T329-K332 HydrophobicContact CG2-CG 4.02Å; T329-G338 WeakPolarHBondContact CA-O 3.44Å; T329-G338 PolarHBondContact OG1-O 3.45Å
330F97.9Very high97.2Very high0 Ų023.8 Ų23.80%013%0.129CC..SBendtrans-89.7-4.3174.3-54.9-58.6000113.2V176 V187 K332 F334 S336 G338 Y340 M364 I372 I376V176-F330 HydrophobicContact CG2-CE1 4.06Å; V176-F330 HydrophobicContact CG2-CZ 3.87Å; V187-F330 HydrophobicContact CB-CE2 4.35Å; V187-F330 HydrophobicContact CG1-CE2 4.08Å; V187-F330 HydrophobicContact CG1-CZ 4.04Å; F330-K332 VanDerWaalsContact C-N 3.26Å; F330-K332 PolarHBondContact O-N 3.02Å; F330-F334 AromaticContact CD1-CD2 3.87Å; F330-F334 HydrophobicContact CD1-CD2 3.87Å; F330-F334 HydrophobicContact CD1-CE2 4.18Å; F330-F334 HydrophobicContact CD1-CG 4.27Å; F330-S336 CarbonylContact O-C 3.57Å; F330-S336 PolarHBondContact O-N 3.29Å; F330-G338 PolarHBondContact N-O 3.01Å; F330-Y340 HydrophobicContact CD1-CD1 4.46Å; F330-Y340 AromaticContact CE1-CD1 3.59Å; F330-Y340 HydrophobicContact CE1-CD1 3.59Å; F330-Y340 HydrophobicContact CE1-CE1 4.09Å; F330-Y340 HydrophobicContact CE2-CD1 4.18Å; F330-Y340 AromaticContact CZ-CD1 3.43Å; F330-Y340 HydrophobicContact CZ-CD1 3.43Å; F330-Y340 VanDerWaalsContact CZ-CD1 3.43Å; F330-Y340 HydrophobicContact CZ-CE1 4.37Å; F330-Y340 HydrophobicContact CZ-CG 4.08Å; F330-M364 HydrophobicContact CD2-CE 4.01Å; F330-M364 HydrophobicContact CE2-CE 4.11Å; F330-I372 HydrophobicContact CB-CD1 3.76Å; F330-I372 HydrophobicContact CB-CG1 3.86Å; F330-I372 HydrophobicContact CD1-CB 4.44Å; F330-I372 HydrophobicContact CD1-CD1 4.1Å; F330-I372 HydrophobicContact CD1-CG1 4.1Å; F330-I372 HydrophobicContact CD1-CG2 3.43Å; F330-I372 VanDerWaalsContact CD1-CG2 3.43Å; F330-I372 HydrophobicContact CD2-CD1 3.43Å; F330-I372 VanDerWaalsContact CD2-CD1 3.43Å; F330-I372 HydrophobicContact CD2-CG1 4.28Å; F330-I372 HydrophobicContact CE1-CG2 3.5Å; F330-I372 VanDerWaalsContact CE1-CG2 3.5Å; F330-I372 HydrophobicContact CE2-CD1 4Å; F330-I372 HydrophobicContact CG-CD1 3.49Å; F330-I372 VanDerWaalsContact CG-CD1 3.49Å; F330-I372 HydrophobicContact CG-CG1 3.82Å; F330-I372 HydrophobicContact CG-CG2 4.01Å; F330-I372 HydrophobicContact CZ-CG2 4.11Å; F330-I376 HydrophobicContact CE1-CD1 4.45Å
331T95.9Very high97.3Very high71 Ų7122.2 Ų22.244%0.43612%0.12SC..SBendtrans-78.3-1.4-173.467.50000115.3T329 S336T329-T331 WeakPolarHBondContact OG1-CG2 3.31Å; T329-T331 PolarHBondContact OG1-N 3.31Å; T329-T331 PolarHBondContact OG1-OG1 3.01Å; T331-S336 VanDerWaalsContact CA-O 3.27Å; T331-S336 WeakPolarHBondContact CA-O 3.29Å
332K96.8Very high97.3Very high20 Ų2014.2 Ų14.29%0.0879%0.089CC..SBendtrans-119.9-103.4-173.4-55-167.1-157.7141.10110.7Y129 Y131 A299 H300 T329 F330 F334 G335Y129-K332 HydrophobicContact CD2-CD 3.96Å; Y129-K332 HydrophobicContact CD2-CG 4.09Å; Y129-K332 HydrophobicContact CG-CD 3.87Å; Y129-K332 HydrophobicContact CG-CG 4.13Å; Y129-K332 CarbonylContact O-C 3.19Å; Y129-K332 WeakPolarHBondContact O-CA 3.31Å; Y129-K332 WeakPolarHBondContact O-CB 3.47Å; Y131-K332 HydrophobicContact CD2-CB 4.37Å; Y131-K332 HydrophobicContact CE2-CB 4.2Å; Y131-K332 HydrophobicContact CE2-CD 4.27Å; A299-K332 VanDerWaalsContact C-NZ 3.33Å; A299-K332 VanDerWaalsContact CB-NZ 3.35Å; A299-K332 VanDerWaalsContact O-CD 3.26Å; A299-K332 WeakPolarHBondContact O-CD 3.34Å; A299-K332 PolarHBondContact O-NZ 3.03Å; A299-K332 VanDerWaalsContact O-NZ 3.1Å; H300-K332 PolarHBondContact CD2-NZ 3.48Å; H300-K332 VanDerWaalsContact CE1-CE 3.48Å; H300-K332 WeakPolarHBondContact CE1-CE 3.24Å; H300-K332 PolarHBondContact CE1-NZ 3.33Å; H300-K332 VanDerWaalsContact CE1-NZ 3.25Å; H300-K332 VanDerWaalsContact CG-NZ 3.33Å; H300-K332 PolarHBondContact ND1-NZ 3.47Å; H300-K332 PolarHBondContact NE2-NZ 3.46Å; T329-K332 HydrophobicContact CG2-CD 4.34Å; T329-K332 HydrophobicContact CG2-CG 4.02Å; F330-K332 VanDerWaalsContact C-N 3.26Å; F330-K332 PolarHBondContact O-N 3.02Å; K332-F334 PolarHBondContact O-N 3.32Å; K332-G335 PolarHBondContact O-N 3.28Å
333S96.1Very high97.4Very high0 Ų012.1 Ų12.10%08%0.078CC..THydrogen-bonded Turntrans-51.7-32.9-176.5-52.50000113.9Y131 F134 I302Y131-S333 WeakPolarHBondContact CD2-OG 3.48Å; F134-S333 WeakPolarHBondContact CD2-O 3.42Å; I302-S333 WeakPolarHBondContact O-CB 3.34Å; I302-S333 PolarHBondContact O-OG 2.96Å
334F96.8Very high97.3Very high1 Ų115.8 Ų15.80%0.00410%0.098CC..THydrogen-bonded Turntrans-88.2-6.4-175.9-52.8-75000114.5F179 I302 F330 K332 S336 S375 I376 I379F179-F334 HydrophobicContact CE1-CE1 4.27Å; F179-F334 AromaticContact CE1-CZ 4Å; F179-F334 HydrophobicContact CE1-CZ 4Å; I302-F334 HydrophobicContact CB-CE2 4.42Å; I302-F334 HydrophobicContact CG1-CE2 3.87Å; I302-F334 HydrophobicContact CG1-CZ 3.68Å; I302-F334 HydrophobicContact CG2-CE2 3.72Å; I302-F334 HydrophobicContact CG2-CZ 4.36Å; F330-F334 AromaticContact CD1-CD2 3.87Å; F330-F334 HydrophobicContact CD1-CD2 3.87Å; F330-F334 HydrophobicContact CD1-CE2 4.18Å; F330-F334 HydrophobicContact CD1-CG 4.27Å; K332-F334 PolarHBondContact O-N 3.32Å; F334-S336 VanDerWaalsContact C-N 3.28Å; F334-S336 PolarHBondContact O-N 3.39Å; F334-S375 WeakPolarHBondContact CD1-OG 3.34Å; F334-I376 HydrophobicContact CD1-CG1 3.85Å; F334-I376 HydrophobicContact CE1-CD1 4.35Å; F334-I376 HydrophobicContact CE1-CG1 3.57Å; F334-I376 HydrophobicContact CZ-CG1 4.39Å; F334-I379 HydrophobicContact CD1-CD1 3.88Å; F334-I379 HydrophobicContact CE1-CD1 3.66Å
335G94.4Very high97.3Very high26 Ų2618.1 Ų18.127%0.26810%0.103SC..SBendtrans59.133.5177.600000114.5K332 Q371K332-G335 PolarHBondContact O-N 3.28Å; G335-Q371 PolarHBondContact O-NE2 3.1Å
336S95.8Very high97.3Very high20 Ų2026.2 Ų26.214%0.1414%0.138CC..SBendtrans-131.5-152.7-177.4-163.60000111.7F330 T331 F334 I368 I372F330-S336 CarbonylContact O-C 3.57Å; F330-S336 PolarHBondContact O-N 3.29Å; T331-S336 VanDerWaalsContact CA-O 3.27Å; T331-S336 WeakPolarHBondContact CA-O 3.29Å; F334-S336 VanDerWaalsContact C-N 3.28Å; F334-S336 PolarHBondContact O-N 3.39Å; S336-I368 WeakPolarHBondContact OG-CG2 3.21Å; S336-I368 PolarHBondContact OG-O 2.98Å; S336-I368 VanDerWaalsContact OG-O 3.07Å; S336-I372 VanDerWaalsContact CB-CG1 3.47Å; S336-I372 WeakPolarHBondContact OG-CG1 3.49Å
337S95.4Very high97.3Very high43 Ų4327.5 Ų27.530%0.30115%0.145SC..  trans-135.2154.6173.968.70000112.3I368S337-I368 WeakPolarHBondContact O-CG2 3.48Å; S337-I368 WeakPolarHBondContact OG-CG2 3.24Å
338G96.3Very high97.3Very high1 Ų127.4 Ų27.41%0.0114%0.144CC..  trans108.5-168.6-179.700000115.3F188 S189 T329 F330F188-G338 CarbonylContact O-C 3.57Å; F188-G338 WeakPolarHBondContact O-CA 3.24Å; S189-G338 VanDerWaalsContact C-CA 3.48Å; S189-G338 WeakPolarHBondContact O-CA 3.42Å; T329-G338 WeakPolarHBondContact CA-O 3.44Å; T329-G338 PolarHBondContact OG1-O 3.45Å; F330-G338 PolarHBondContact N-O 3.01Å
339G97.7Very high97.2Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-161.217917500000111.9V187 F188 G328V187-G339 WeakPolarHBondContact CA-O 3.17Å; F188-G339 PolarHBondContact N-O 3.26Å; F188-G339 PolarHBondContact O-N 3Å; G328-G339 CarbonylContact O-C 3.42Å; G328-G339 WeakPolarHBondContact O-CA 3.38Å
340Y98.4Very high97.2Very high3 Ų335.9 Ų35.91%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-140.7159.2-177.766.6-92.4000111.7V176 V180 I186 M327 G328 F330 A342V176-Y340 HydrophobicContact CG1-CD1 4.03Å; V176-Y340 HydrophobicContact CG1-CD2 3.59Å; V176-Y340 HydrophobicContact CG1-CE1 4.35Å; V176-Y340 HydrophobicContact CG1-CE2 3.97Å; V176-Y340 HydrophobicContact CG1-CG 3.62Å; V180-Y340 HydrophobicContact CG1-CE2 3.95Å; V180-Y340 WeakPolarHBondContact CG1-OH 3.39Å; I186-Y340 CarbonylContact O-C 3.54Å; I186-Y340 WeakPolarHBondContact O-CA 3.27Å; I186-Y340 WeakPolarHBondContact O-CB 3.38Å; M327-Y340 WeakPolarHBondContact CA-O 3.38Å; G328-Y340 VanDerWaalsContact CA-CE1 3.49Å; G328-Y340 PolarHBondContact N-O 3.28Å; G328-Y340 PolarHBondContact O-N 3.28Å; F330-Y340 HydrophobicContact CD1-CD1 4.46Å; F330-Y340 AromaticContact CE1-CD1 3.59Å; F330-Y340 HydrophobicContact CE1-CD1 3.59Å; F330-Y340 HydrophobicContact CE1-CE1 4.09Å; F330-Y340 HydrophobicContact CE2-CD1 4.18Å; F330-Y340 AromaticContact CZ-CD1 3.43Å; F330-Y340 HydrophobicContact CZ-CD1 3.43Å; F330-Y340 VanDerWaalsContact CZ-CD1 3.43Å; F330-Y340 HydrophobicContact CZ-CE1 4.37Å; F330-Y340 HydrophobicContact CZ-CG 4.08Å; Y340-A342 HydrophobicContact CD2-CB 4.08Å; Y340-A342 HydrophobicContact CE2-CB 4.2Å
341L98.5Very high97.2Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-119.1134.3160.1-64.7175.4000108.3A185 I186 F188 T194 N198 Y295 I325 S326 M327 I348 L351A185-L341 CarbonylContact C-O 3.54Å; A185-L341 WeakPolarHBondContact CA-O 3.34Å; I186-L341 HydrophobicContact CG2-CB 4.02Å; I186-L341 PolarHBondContact N-O 3.07Å; I186-L341 PolarHBondContact O-N 3.25Å; F188-L341 HydrophobicContact CE2-CB 4.3Å; F188-L341 HydrophobicContact CE2-CD1 3.98Å; F188-L341 HydrophobicContact CE2-CG 3.89Å; F188-L341 HydrophobicContact CZ-CD1 4.37Å; T194-L341 HydrophobicContact CG2-CD2 3.93Å; T194-L341 HydrophobicContact CG2-CG 3.87Å; N198-L341 HydrophobicContact CB-CD1 3.53Å; Y295-L341 HydrophobicContact CE2-CD2 4.11Å; Y295-L341 WeakPolarHBondContact OH-CD2 3.24Å; I325-L341 HydrophobicContact CG2-CD2 3.96Å; S326-L341 CarbonylContact O-C 3.57Å; S326-L341 WeakPolarHBondContact O-CA 3.22Å; M327-L341 HydrophobicContact CB-CD2 3.65Å; M327-L341 HydrophobicContact CG-CD2 3.74Å; L341-I348 HydrophobicContact CB-CD1 4.43Å; L341-L351 HydrophobicContact CB-CD1 4.36Å; L341-L351 HydrophobicContact CD1-CD1 3.75Å
342A98.7Very high97.1Very high0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-130.6147.5177.100000110.4V180 Q182 A184 A185 S326 Y340V180-A342 HydrophobicContact CG2-CB 3.61Å; Q182-A342 HydrophobicContact CB-CB 3.9Å; Q182-A342 HydrophobicContact CG-CB 3.94Å; A184-A342 VanDerWaalsContact O-CA 3.26Å; A184-A342 WeakPolarHBondContact O-CA 3.44Å; A185-A342 HydrophobicContact CB-CB 3.86Å; S326-A342 PolarHBondContact N-O 3.47Å; S326-A342 PolarHBondContact O-N 3.13Å; Y340-A342 HydrophobicContact CD2-CB 4.08Å; Y340-A342 HydrophobicContact CE2-CB 4.2Å
343G98.4Very high97Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans174.2-158.4-174.500000110.8E183 A184E183-G343 PolarHBondContact N-O 2.99Å; A184-G343 PolarHBondContact N-O 3.47Å; A184-G343 VanDerWaalsContact N-O 3.12Å; A184-G343 PolarHBondContact O-N 3.46Å
344N97.9Very high96.9Very high79 Ų7940 Ų4042%0.42220%0.204SC..  trans-64.6151.6175.574.932.6000111.9E183 K346 L347 I348E183-N344 WeakPolarHBondContact OE2-CA 3.02Å; N344-K346 VanDerWaalsContact C-N 3.31Å; N344-K346 PolarHBondContact O-N 2.91Å; N344-L347 PolarHBondContact O-N 3.21Å; N344-L347 WeakPolarHBondContact OD1-CA 3.43Å; N344-L347 WeakPolarHBondContact OD1-CB 3.49Å; N344-L347 PolarHBondContact OD1-N 3.3Å; N344-I348 WeakPolarHBondContact O-CG1 3.37Å; N344-I348 PolarHBondContact O-N 2.96Å; N344-I348 VanDerWaalsContact O-N 3.17Å
345R98.3Very high96.8Very high91 Ų9139.9 Ų39.934%0.34320%0.204SC..Hα-helixtrans-56.8-44.3-175.1178.765.764.6179.5-4.8112E183 A184 L347 I348 D349E183-R345 HydrophobicContact CB-CB 4.4Å; E183-R345 PolarHBondContact O-NH2 2.76Å; E183-R345 PolarHBondContact OE2-N 3.32Å; A184-R345 HydrophobicContact CB-CB 4.47Å; R345-L347 VanDerWaalsContact C-N 3.34Å; R345-L347 PolarHBondContact O-N 3.03Å; R345-I348 PolarHBondContact O-N 3.36Å; R345-D349 WeakPolarHBondContact CD-OD2 3.45Å; R345-D349 WeakPolarHBondContact CG-OD2 3.36Å; R345-D349 WeakPolarHBondContact O-CB 3.26Å; R345-D349 VanDerWaalsContact O-CG 3.26Å; R345-D349 PolarHBondContact O-N 3.34Å
346K98.1Very high96.7Very high179 Ų17944.5 Ų44.578%0.77821%0.214SC*.Hα-helixtrans-59.9-41.7-178.4-68.2-176.3179.9178.80112.5N344 Y350N344-K346 VanDerWaalsContact C-N 3.31Å; N344-K346 PolarHBondContact O-N 2.91Å; K346-Y350 WeakPolarHBondContact O-CB 3.27Å; K346-Y350 PolarHBondContact O-N 2.95Å
347L97.6Very high96.4Very high34 Ų3444.3 Ų44.318%0.17821%0.212CC..Hα-helixtrans-65.6-47177.1173.865.9000110.9L202 I325 N344 R345 D349 Y350 L351L202-L347 HydrophobicContact CD2-CD1 3.65Å; I325-L347 HydrophobicContact CD1-CD2 4.01Å; I325-L347 HydrophobicContact CG1-CD2 3.71Å; N344-L347 PolarHBondContact O-N 3.21Å; N344-L347 WeakPolarHBondContact OD1-CA 3.43Å; N344-L347 WeakPolarHBondContact OD1-CB 3.49Å; N344-L347 PolarHBondContact OD1-N 3.3Å; R345-L347 VanDerWaalsContact C-N 3.34Å; R345-L347 PolarHBondContact O-N 3.03Å; L347-D349 VanDerWaalsContact C-N 3.34Å; L347-Y350 WeakPolarHBondContact O-CB 3.37Å; L347-Y350 PolarHBondContact O-N 3.17Å; L347-L351 HydrophobicContact CD1-CD1 4.37Å; L347-L351 HydrophobicContact CD1-CG 4.42Å; L347-L351 HydrophobicContact CG-CD1 4.19Å; L347-L351 WeakPolarHBondContact O-CG 3.26Å; L347-L351 PolarHBondContact O-N 3.26Å
348I98.2Very high96.2Very high0 Ų042.5 Ų42.50%020%0.199CC..Hα-helixtrans-67-38.9-178.4-59.3-51.6000110.8A184 A185 I186 L341 N344 R345 Y350 L351 R352A184-I348 HydrophobicContact CB-CB 3.8Å; A184-I348 HydrophobicContact CB-CG1 3.82Å; A184-I348 HydrophobicContact CB-CG2 4.02Å; A185-I348 VanDerWaalsContact C-CG2 3.49Å; A185-I348 WeakPolarHBondContact O-CG2 3.28Å; I186-I348 HydrophobicContact CB-CG2 3.83Å; I186-I348 HydrophobicContact CG2-CD1 4.4Å; I186-I348 HydrophobicContact CG2-CG2 4.05Å; L341-I348 HydrophobicContact CB-CD1 4.43Å; N344-I348 WeakPolarHBondContact O-CG1 3.37Å; N344-I348 PolarHBondContact O-N 2.96Å; N344-I348 VanDerWaalsContact O-N 3.17Å; R345-I348 PolarHBondContact O-N 3.36Å; I348-Y350 VanDerWaalsContact C-N 3.34Å; I348-L351 HydrophobicContact CD1-CD1 4.23Å; I348-L351 PolarHBondContact O-N 3.42Å; I348-R352 WeakPolarHBondContact O-CG 3.33Å; I348-R352 PolarHBondContact O-N 2.92Å
349D97.3Very high96.1Very high73 Ų7343.8 Ų43.839%0.3921%0.207SC..Hα-helixtrans-65.8-36.6174.7-67.9-21.4000112R345 L347 R352 S353R345-D349 WeakPolarHBondContact CD-OD2 3.45Å; R345-D349 WeakPolarHBondContact CG-OD2 3.36Å; R345-D349 WeakPolarHBondContact O-CB 3.26Å; R345-D349 VanDerWaalsContact O-CG 3.26Å; R345-D349 PolarHBondContact O-N 3.34Å; L347-D349 VanDerWaalsContact C-N 3.34Å; D349-R352 WeakPolarHBondContact O-CB 3.45Å; D349-R352 PolarHBondContact O-N 3.3Å; D349-R352 IonicContact OD1-CZ 2.61Å; D349-R352 IonicContact OD1-NH1 3.73Å; D349-R352 PolarHBondContact OD1-NH1 3.39Å; D349-S353 PolarHBondContact O-N 3.01Å
350Y97.4Very high95.7Very high113 Ų11352.3 Ų52.344%0.44324%0.24SC..Hα-helixtrans-61.9-47.7169.3171.7-104.2000111.6C201 K346 L347 I348 R352 S353 V354C201-Y350 WeakPolarHBondContact O-CE1 3.23Å; C201-Y350 PolarHBondContact O-OH 2.9Å; K346-Y350 WeakPolarHBondContact O-CB 3.27Å; K346-Y350 PolarHBondContact O-N 2.95Å; L347-Y350 WeakPolarHBondContact O-CB 3.37Å; L347-Y350 PolarHBondContact O-N 3.17Å; I348-Y350 VanDerWaalsContact C-N 3.34Å; Y350-R352 VanDerWaalsContact C-N 3.28Å; Y350-R352 PolarHBondContact O-N 2.94Å; Y350-S353 PolarHBondContact O-N 2.93Å; Y350-S353 PolarHBondContact O-OG 3.26Å; Y350-V354 HydrophobicContact CD1-CG2 4.04Å; Y350-V354 HydrophobicContact CD2-CG1 4.29Å; Y350-V354 HydrophobicContact CD2-CG2 4.39Å; Y350-V354 HydrophobicContact CE1-CG2 3.57Å; Y350-V354 HydrophobicContact CE2-CG1 3.76Å; Y350-V354 HydrophobicContact CE2-CG2 3.95Å; Y350-V354 HydrophobicContact CG-CG2 4.43Å; Y350-V354 WeakPolarHBondContact O-CG2 3.26Å; Y350-V354 PolarHBondContact O-N 3.21Å; Y350-V354 VanDerWaalsContact O-N 3.15Å
351L96.9Very high95.2Very high0 Ų053.1 Ų53.10%025%0.249CC..Hα-helixtrans-63-33.7178-72.3172.1000112.5C201 L202 L341 L347 I348 S353 V354 S355C201-L351 HydrophobicContact CB-CD2 3.97Å; L202-L351 HydrophobicContact CD2-CD1 4.47Å; L202-L351 HydrophobicContact CD2-CD2 3.99Å; L202-L351 HydrophobicContact CG-CD2 4.39Å; L341-L351 HydrophobicContact CB-CD1 4.36Å; L341-L351 HydrophobicContact CD1-CD1 3.75Å; L347-L351 HydrophobicContact CD1-CD1 4.37Å; L347-L351 HydrophobicContact CD1-CG 4.42Å; L347-L351 HydrophobicContact CG-CD1 4.19Å; L347-L351 WeakPolarHBondContact O-CG 3.26Å; L347-L351 PolarHBondContact O-N 3.26Å; I348-L351 HydrophobicContact CD1-CD1 4.23Å; I348-L351 PolarHBondContact O-N 3.42Å; L351-S353 PolarHBondContact O-N 3.19Å; L351-V354 PolarHBondContact O-N 2.85Å; L351-S355 WeakPolarHBondContact O-CB 3.14Å; L351-S355 PolarHBondContact O-N 3.49Å
352R94.8Very high94.7Very high56 Ų5657.5 Ų57.521%0.21128%0.279CS..Hα-helixtrans-57.6-33.8172.2-76.2178.6176.410111.2112Q161 E173 A185 I186 I348 D349 Y350Q161-R352 PolarHBondContact NE2-O 2.7Å; E173-R352 IonicContact OE2-CZ 3.6Å; E173-R352 IonicContact OE2-NE 3.22Å; E173-R352 IonicContact OE2-NH2 2.68Å; E173-R352 PolarHBondContact OE2-NH2 3.24Å; A185-R352 PolarHBondContact O-NH2 3.22Å; I186-R352 HydrophobicContact CD1-CB 4.33Å; I186-R352 HydrophobicContact CD1-CG 3.65Å; I186-R352 HydrophobicContact CG1-CG 4.34Å; I348-R352 WeakPolarHBondContact O-CG 3.33Å; I348-R352 PolarHBondContact O-N 2.92Å; D349-R352 WeakPolarHBondContact O-CB 3.45Å; D349-R352 PolarHBondContact O-N 3.3Å; D349-R352 IonicContact OD1-CZ 2.61Å; D349-R352 IonicContact OD1-NH1 3.73Å; D349-R352 PolarHBondContact OD1-NH1 3.39Å; Y350-R352 VanDerWaalsContact C-N 3.28Å; Y350-R352 PolarHBondContact O-N 2.94Å
353S93.5Very high94.4Very high67 Ų6758 Ų5847%0.46928%0.282SS..Hα-helixtrans-87.6-28.8-17767.90000114.4Q161 D349 Y350 L351Q161-S353 PolarHBondContact NE2-O 3.12Å; D349-S353 PolarHBondContact O-N 3.01Å; Y350-S353 PolarHBondContact O-N 2.93Å; Y350-S353 PolarHBondContact O-OG 3.26Å; L351-S353 PolarHBondContact O-N 3.19Å
354V94.9Very high94.3Very high53 Ų5358.2 Ų58.232%0.32128%0.283SS..Hα-helixtrans-118.2-12.5-172.4-55.40000115.9C201 Y350 L351 Y356C201-V354 HydrophobicContact CB-CG2 3.86Å; Y350-V354 HydrophobicContact CD1-CG2 4.04Å; Y350-V354 HydrophobicContact CD2-CG1 4.29Å; Y350-V354 HydrophobicContact CD2-CG2 4.39Å; Y350-V354 HydrophobicContact CE1-CG2 3.57Å; Y350-V354 HydrophobicContact CE2-CG1 3.76Å; Y350-V354 HydrophobicContact CE2-CG2 3.95Å; Y350-V354 HydrophobicContact CG-CG2 4.43Å; Y350-V354 WeakPolarHBondContact O-CG2 3.26Å; Y350-V354 PolarHBondContact O-N 3.21Å; Y350-V354 VanDerWaalsContact O-N 3.15Å; L351-V354 PolarHBondContact O-N 2.85Å; V354-Y356 PolarHBondContact O-N 2.97Å
355S94.2Very high94.2Very high0 Ų056.4 Ų56.40%028%0.276CS..  trans-62.8127.4-177.8172.10000111F188 N198 L351 N357 A358 V359F188-S355 WeakPolarHBondContact CE1-OG 3.29Å; N198-S355 WeakPolarHBondContact OD1-CB 3.18Å; N198-S355 PolarHBondContact OD1-OG 2.69Å; L351-S355 WeakPolarHBondContact O-CB 3.14Å; L351-S355 PolarHBondContact O-N 3.49Å; S355-N357 PolarHBondContact O-N 3.21Å; S355-N357 PolarHBondContact OG-N 3.37Å; S355-A358 PolarHBondContact O-N 3.41Å; S355-A358 PolarHBondContact OG-N 3.21Å; S355-V359 WeakPolarHBondContact O-CB 3.35Å; S355-V359 VanDerWaalsContact O-CG2 3.23Å; S355-V359 WeakPolarHBondContact O-CG2 3.41Å; S355-V359 PolarHBondContact O-N 3.39Å
356Y92Very high94Very high122 Ų12252.1 Ų52.148%0.47826%0.26SS..Hα-helixtrans-56.5-36.1174.5-66.8-77.5000112.2L197 P200 V354 Y360 G361L197-Y356 WeakPolarHBondContact O-CD2 3.26Å; P200-Y356 HydrophobicContact CB-CE2 4.42Å; V354-Y356 PolarHBondContact O-N 2.97Å; Y356-Y360 AromaticContact CD1-CD2 3.98Å; Y356-Y360 HydrophobicContact CD1-CD2 3.98Å; Y356-Y360 AromaticContact CD1-CE2 3.91Å; Y356-Y360 HydrophobicContact CD1-CE2 3.91Å; Y356-Y360 HydrophobicContact CE1-CE2 4.48Å; Y356-Y360 WeakPolarHBondContact O-CB 3.41Å; Y356-Y360 PolarHBondContact O-N 3.48Å; Y356-G361 PolarHBondContact O-N 3.46Å
357N90.3Very high94Very high17 Ų1744.3 Ų44.39%0.09123%0.228CC..Hα-helixtrans-68.3-38.1176-78.9-48000112.3F188 S193 L197 S355 G361F188-N357 HydrophobicContact CD1-CB 3.32Å; F188-N357 HydrophobicContact CE1-CB 3.74Å; F188-N357 HydrophobicContact CG-CB 4.18Å; S193-N357 PolarHBondContact O-ND2 3.34Å; S193-N357 PolarHBondContact OG-ND2 2.9Å; S193-N357 PolarHBondContact OG-OD1 2.74Å; L197-N357 WeakPolarHBondContact CD1-OD1 3.33Å; S355-N357 PolarHBondContact O-N 3.21Å; S355-N357 PolarHBondContact OG-N 3.37Å; N357-G361 WeakPolarHBondContact O-CA 3.36Å; N357-G361 PolarHBondContact O-N 2.72Å; N357-G361 VanDerWaalsContact O-N 3.12Å
358A91Very high93.9Very high4 Ų444.9 Ų44.93%0.03323%0.231CC..Hα-helixtrans-74.9-37.4-179.100000112.2R160 Q161 I186 S355R160-A358 PolarHBondContact N-O 2.87Å; Q161-A358 PolarHBondContact N-O 3.4Å; I186-A358 HydrophobicContact CD1-CB 4.2Å; S355-A358 PolarHBondContact O-N 3.41Å; S355-A358 PolarHBondContact OG-N 3.21Å
359V93.4Very high93.9Very high29 Ų2944.9 Ų44.918%0.17623%0.231CC..Hα-helixtrans-79.3-49.4-176.8-179.50000111.4S159 Q161 S355S159-V359 WeakPolarHBondContact CB-O 3.45Å; S159-V359 PolarHBondContact OG-O 2.94Å; Q161-V359 HydrophobicContact CG-CG2 4.49Å; S355-V359 WeakPolarHBondContact O-CB 3.35Å; S355-V359 VanDerWaalsContact O-CG2 3.23Å; S355-V359 WeakPolarHBondContact O-CG2 3.41Å; S355-V359 PolarHBondContact O-N 3.39Å
360Y90.8Very high93.9Very high179 Ų17942.9 Ų42.970%0.70222%0.219SC*.THydrogen-bonded Turntrans-113.6-19.6-169.8-53-70000113.8Y356Y356-Y360 AromaticContact CD1-CD2 3.98Å; Y356-Y360 HydrophobicContact CD1-CD2 3.98Å; Y356-Y360 AromaticContact CD1-CE2 3.91Å; Y356-Y360 HydrophobicContact CD1-CE2 3.91Å; Y356-Y360 HydrophobicContact CE1-CE2 4.48Å; Y356-Y360 WeakPolarHBondContact O-CB 3.41Å; Y356-Y360 PolarHBondContact O-N 3.48Å
361G87.8Confident93.9Very high19 Ų1938.5 Ų38.520%0.19620%0.202CC..SBendtrans-77.9145.2-178.900000112.5S159 Y356 N357S159-G361 WeakPolarHBondContact CA-O 3.01Å; S159-G361 WeakPolarHBondContact CB-O 3.15Å; Y356-G361 PolarHBondContact O-N 3.46Å; N357-G361 WeakPolarHBondContact O-CA 3.36Å; N357-G361 PolarHBondContact O-N 2.72Å; N357-G361 VanDerWaalsContact O-N 3.12Å
362C88.3Confident94Very high93 Ų9338.5 Ų38.563%0.62820%0.202SC*.BIsolated β-bridgetrans-61.8138.4171.8-62.30000110.9S189S189-C362 PolarHBondContact OG-O 2.8Å
363S92.4Very high94.1Very high10 Ų1035.8 Ų35.87%0.0719%0.192CC..PPolyproline II helixtrans-56.6147.517363.10000111.7S158 G164S158-S363 PolarHBondContact O-N 3.02Å; S158-S363 PolarHBondContact O-OG 3.43Å; G164-S363 WeakPolarHBondContact O-CB 3.37Å
364M94.8Very high94.3Very high4 Ų432.8 Ų32.82%0.0217%0.171CC..PPolyproline II helixtrans-54.4134.8171.3-175.6178.2-74.200110.3H169 L172 V187 F188 F330 I368 A369 I372H169-M364 PolarHBondContact CE1-O 3.36Å; H169-M364 PolarHBondContact NE2-O 3.38Å; L172-M364 HydrophobicContact CD2-SD 3.82Å; V187-M364 HydrophobicContact CB-CE 4.39Å; F188-M364 WeakPolarHBondContact O-CE 3.32Å; F330-M364 HydrophobicContact CD2-CE 4.01Å; F330-M364 HydrophobicContact CE2-CE 4.11Å; M364-I368 HydrophobicContact CG-CB 4.11Å; M364-I368 HydrophobicContact CG-CG2 3.78Å; M364-I368 HydrophobicContact SD-CG2 3.99Å; M364-A369 HydrophobicContact CG-CB 4.42Å; M364-A369 HydrophobicContact SD-CB 3.95Å; M364-I372 HydrophobicContact CE-CD1 3.92Å; M364-I372 HydrophobicContact SD-CD1 3.62Å
365P95.6Very high94.5Very high42 Ų4230.3 Ų30.327%0.27316%0.156SC..PPolyproline II helixtrans-56.3140.4171.6-32.840.4000112.8V154 P367 I368 A369V154-P365 VanDerWaalsContact O-CB 3.22Å; V154-P365 WeakPolarHBondContact O-CB 3.41Å; P365-P367 HydrophobicContact CB-CG 4.26Å; P365-I368 HydrophobicContact CB-CB 4.09Å; P365-I368 HydrophobicContact CB-CG1 3.77Å; P365-I368 HydrophobicContact CG-CG1 4.11Å; P365-I368 WeakPolarHBondContact O-CB 3.41Å; P365-I368 PolarHBondContact O-N 2.76Å; P365-I368 VanDerWaalsContact O-N 3.11Å; P365-A369 PolarHBondContact O-N 3.27Å
366A95.8Very high94.7Very high1 Ų130.3 Ų30.31%0.00816%0.156CC..Hα-helixtrans-54.1-47.3175.900000114.2F152 L166 L168 I368 A369 Q370F152-A366 HydrophobicContact CB-CB 3.49Å; F152-A366 VanDerWaalsContact CB-CB 3.49Å; F152-A366 HydrophobicContact CD2-CB 4.34Å; F152-A366 HydrophobicContact CG-CB 4.14Å; L166-A366 HydrophobicContact CD1-CB 3.89Å; L168-A366 HydrophobicContact CD2-CB 4.04Å; L168-A366 WeakPolarHBondContact CD2-O 3.48Å; A366-I368 VanDerWaalsContact C-N 3.27Å; A366-I368 PolarHBondContact O-N 2.81Å; A366-A369 PolarHBondContact O-N 3.33Å; A366-Q370 PolarHBondContact O-N 3.33Å
367P96.4Very high95Very high15 Ų1528.1 Ų28.110%0.09715%0.147CC..Hα-helixtrans-59.1-36.6175.917.2-30.5000113.7T145 T149 G153 P365 Q370 Q371T145-P367 HydrophobicContact CG2-CB 3.58Å; T149-P367 WeakPolarHBondContact OG1-CB 3.45Å; G153-P367 WeakPolarHBondContact O-CD 3.29Å; P365-P367 HydrophobicContact CB-CG 4.26Å; P367-Q370 PolarHBondContact O-N 2.92Å; P367-Q371 PolarHBondContact O-N 3.48Å
368I96.5Very high95.3Very high46 Ų4627.4 Ų27.424%0.23614%0.143CC..Hα-helixtrans-67.6-43.5178-62.8-58.8000110.6S336 S337 M364 P365 A366 Q370 Q371 I372S336-I368 WeakPolarHBondContact OG-CG2 3.21Å; S336-I368 PolarHBondContact OG-O 2.98Å; S336-I368 VanDerWaalsContact OG-O 3.07Å; S337-I368 WeakPolarHBondContact O-CG2 3.48Å; S337-I368 WeakPolarHBondContact OG-CG2 3.24Å; M364-I368 HydrophobicContact CG-CB 4.11Å; M364-I368 HydrophobicContact CG-CG2 3.78Å; M364-I368 HydrophobicContact SD-CG2 3.99Å; P365-I368 HydrophobicContact CB-CB 4.09Å; P365-I368 HydrophobicContact CB-CG1 3.77Å; P365-I368 HydrophobicContact CG-CG1 4.11Å; P365-I368 WeakPolarHBondContact O-CB 3.41Å; P365-I368 PolarHBondContact O-N 2.76Å; P365-I368 VanDerWaalsContact O-N 3.11Å; A366-I368 VanDerWaalsContact C-N 3.27Å; A366-I368 PolarHBondContact O-N 2.81Å; I368-Q370 VanDerWaalsContact C-N 3.32Å; I368-Q370 PolarHBondContact O-N 3.29Å; I368-Q371 PolarHBondContact O-N 3.21Å; I368-I372 HydrophobicContact CG2-CD1 4.29Å; I368-I372 WeakPolarHBondContact O-CD1 3.39Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.25Å; I368-I372 PolarHBondContact O-N 3.07Å
369A97.4Very high95.7Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-62.2-39.4174.500000111.9L168 L172 M364 P365 A366 I372 I373L168-A369 HydrophobicContact CD2-CB 3.83Å; L168-A369 HydrophobicContact CG-CB 4.03Å; L172-A369 HydrophobicContact CD2-CB 3.99Å; M364-A369 HydrophobicContact CG-CB 4.42Å; M364-A369 HydrophobicContact SD-CB 3.95Å; P365-A369 PolarHBondContact O-N 3.27Å; A366-A369 PolarHBondContact O-N 3.33Å; A369-I372 PolarHBondContact O-N 3.24Å; A369-I373 WeakPolarHBondContact O-CG1 3.23Å; A369-I373 PolarHBondContact O-N 3.34Å
370Q97.8Very high95.9Very high31 Ų3128.5 Ų28.515%0.14515%0.146CC..Hα-helixtrans-65.5-44.7177.8-174.560.558.300112.5A144 A148 L168 A366 P367 I368 I372 I373 S374A144-Q370 HydrophobicContact CB-CG 3.91Å; A144-Q370 WeakPolarHBondContact O-CG 3.38Å; A148-Q370 HydrophobicContact CB-CB 3.6Å; A148-Q370 HydrophobicContact CB-CG 3.69Å; L168-Q370 HydrophobicContact CD2-CB 4.24Å; A366-Q370 PolarHBondContact O-N 3.33Å; P367-Q370 PolarHBondContact O-N 2.92Å; I368-Q370 VanDerWaalsContact C-N 3.32Å; I368-Q370 PolarHBondContact O-N 3.29Å; Q370-I372 PolarHBondContact O-N 2.99Å; Q370-I373 PolarHBondContact O-N 2.72Å; Q370-S374 PolarHBondContact NE2-OG 3.26Å; Q370-S374 VanDerWaalsContact NE2-OG 3.12Å; Q370-S374 PolarHBondContact O-N 3.35Å; Q370-S374 PolarHBondContact O-OG 2.92Å
371Q97.6Very high96.2Very high20 Ų2021 Ų219%0.09312%0.124CC..Hα-helixtrans-53-43.2173.5174.169.91300110.9F134 C141 T145 G335 P367 I368 S375F134-Q371 PolarHBondContact O-NE2 3.4Å; C141-Q371 VanDerWaalsContact CB-OE1 3.23Å; T145-Q371 PolarHBondContact OG1-OE1 3.03Å; G335-Q371 PolarHBondContact O-NE2 3.1Å; P367-Q371 PolarHBondContact O-N 3.48Å; I368-Q371 PolarHBondContact O-N 3.21Å; Q371-S375 WeakPolarHBondContact O-CB 3.39Å; Q371-S375 PolarHBondContact O-N 3.02Å; Q371-S375 PolarHBondContact O-OG 3.15Å
372I98Very high96.6Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-67.8-48.4179.6-59.3159000110.7L172 F330 S336 M364 I368 A369 Q370 S374 S375 I376L172-I372 HydrophobicContact CD1-CB 3.91Å; L172-I372 HydrophobicContact CD1-CG2 3.4Å; L172-I372 HydrophobicContact CD2-CB 4.42Å; L172-I372 HydrophobicContact CD2-CD1 4.07Å; L172-I372 HydrophobicContact CD2-CG2 4.49Å; F330-I372 HydrophobicContact CB-CD1 3.76Å; F330-I372 HydrophobicContact CB-CG1 3.86Å; F330-I372 HydrophobicContact CD1-CB 4.44Å; F330-I372 HydrophobicContact CD1-CD1 4.1Å; F330-I372 HydrophobicContact CD1-CG1 4.1Å; F330-I372 HydrophobicContact CD1-CG2 3.43Å; F330-I372 VanDerWaalsContact CD1-CG2 3.43Å; F330-I372 HydrophobicContact CD2-CD1 3.43Å; F330-I372 VanDerWaalsContact CD2-CD1 3.43Å; F330-I372 HydrophobicContact CD2-CG1 4.28Å; F330-I372 HydrophobicContact CE1-CG2 3.5Å; F330-I372 VanDerWaalsContact CE1-CG2 3.5Å; F330-I372 HydrophobicContact CE2-CD1 4Å; F330-I372 HydrophobicContact CG-CD1 3.49Å; F330-I372 VanDerWaalsContact CG-CD1 3.49Å; F330-I372 HydrophobicContact CG-CG1 3.82Å; F330-I372 HydrophobicContact CG-CG2 4.01Å; F330-I372 HydrophobicContact CZ-CG2 4.11Å; S336-I372 VanDerWaalsContact CB-CG1 3.47Å; S336-I372 WeakPolarHBondContact OG-CG1 3.49Å; M364-I372 HydrophobicContact CE-CD1 3.92Å; M364-I372 HydrophobicContact SD-CD1 3.62Å; I368-I372 HydrophobicContact CG2-CD1 4.29Å; I368-I372 WeakPolarHBondContact O-CD1 3.39Å; I368-I372 VanDerWaalsContact O-CG1 3.27Å; I368-I372 WeakPolarHBondContact O-CG1 3.25Å; I368-I372 PolarHBondContact O-N 3.07Å; A369-I372 PolarHBondContact O-N 3.24Å; Q370-I372 PolarHBondContact O-N 2.99Å; I372-S374 VanDerWaalsContact C-N 3.34Å; I372-S374 PolarHBondContact O-N 2.72Å; I372-S375 PolarHBondContact O-N 3.16Å; I372-S375 PolarHBondContact O-OG 2.94Å; I372-I376 HydrophobicContact CG2-CD1 3.66Å; I372-I376 HydrophobicContact CG2-CG1 4.23Å; I372-I376 WeakPolarHBondContact O-CG1 3.34Å; I372-I376 PolarHBondContact O-N 2.85Å
373I98.5Very high97Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-55.5-50.6178.5-72.4163.9000110.6L168 E171 L172 L175 A369 Q370 S375 I376 R377L168-I373 HydrophobicContact CD1-CD1 3.33Å; L168-I373 HydrophobicContact CG-CD1 3.76Å; E171-I373 HydrophobicContact CB-CD1 4.4Å; E171-I373 HydrophobicContact CG-CD1 4.12Å; L172-I373 HydrophobicContact CB-CD1 4Å; L172-I373 HydrophobicContact CB-CG1 3.91Å; L172-I373 HydrophobicContact CD1-CG1 4Å; L172-I373 HydrophobicContact CG-CG1 4.49Å; L175-I373 HydrophobicContact CD2-CB 4.34Å; L175-I373 HydrophobicContact CD2-CG1 4.38Å; L175-I373 HydrophobicContact CD2-CG2 4.09Å; A369-I373 WeakPolarHBondContact O-CG1 3.23Å; A369-I373 PolarHBondContact O-N 3.34Å; Q370-I373 PolarHBondContact O-N 2.72Å; I373-S375 PolarHBondContact O-N 2.98Å; I373-I376 PolarHBondContact O-N 3.43Å; I373-R377 HydrophobicContact CG2-CG 4.39Å; I373-R377 WeakPolarHBondContact O-CB 3.42Å; I373-R377 WeakPolarHBondContact O-CG 3.36Å; I373-R377 PolarHBondContact O-N 2.72Å
374S98.1Very high97.1Very high4 Ų426.6 Ų26.63%0.02814%0.137CC..Hα-helixtrans-61.4-44.9179.7-64.70000111.7A144 Q370 I372 R377 I378A144-S374 WeakPolarHBondContact CB-OG 3.29Å; Q370-S374 PolarHBondContact NE2-OG 3.26Å; Q370-S374 VanDerWaalsContact NE2-OG 3.12Å; Q370-S374 PolarHBondContact O-N 3.35Å; Q370-S374 PolarHBondContact O-OG 2.92Å; I372-S374 VanDerWaalsContact C-N 3.34Å; I372-S374 PolarHBondContact O-N 2.72Å; S374-R377 PolarHBondContact O-N 2.81Å; S374-I378 WeakPolarHBondContact O-CD1 3.42Å; S374-I378 VanDerWaalsContact O-CG1 3.25Å; S374-I378 WeakPolarHBondContact O-CG1 3.35Å; S374-I378 PolarHBondContact O-N 3.47Å
375S97.9Very high97.2Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-61.9-45.8177.568.50000112.4F334 Q371 I372 I373 I378 I379F334-S375 WeakPolarHBondContact CD1-OG 3.34Å; Q371-S375 WeakPolarHBondContact O-CB 3.39Å; Q371-S375 PolarHBondContact O-N 3.02Å; Q371-S375 PolarHBondContact O-OG 3.15Å; I372-S375 PolarHBondContact O-N 3.16Å; I372-S375 PolarHBondContact O-OG 2.94Å; I373-S375 PolarHBondContact O-N 2.98Å; S375-I378 PolarHBondContact O-N 2.9Å; S375-I379 WeakPolarHBondContact O-CD1 3.42Å; S375-I379 WeakPolarHBondContact O-CG1 3.21Å; S375-I379 PolarHBondContact O-N 2.83Å
376I98.3Very high97.2Very high1 Ų131.3 Ų31.31%0.00517%0.174CC..Hα-helixtrans-64.7-43.5178.2-66.3173.1000110.8L172 L175 V176 F179 F330 F334 I372 I373 I378 I379 M380L172-I376 HydrophobicContact CD1-CD1 4.36Å; L175-I376 HydrophobicContact CD1-CG2 4.19Å; L175-I376 HydrophobicContact CD2-CB 3.83Å; L175-I376 HydrophobicContact CD2-CG2 3.77Å; L175-I376 HydrophobicContact CG-CB 4.28Å; L175-I376 HydrophobicContact CG-CG2 3.67Å; V176-I376 HydrophobicContact CG2-CD1 3.82Å; F179-I376 HydrophobicContact CB-CG2 3.94Å; F179-I376 HydrophobicContact CD2-CG2 4.08Å; F179-I376 HydrophobicContact CG-CG2 3.93Å; F330-I376 HydrophobicContact CE1-CD1 4.45Å; F334-I376 HydrophobicContact CD1-CG1 3.85Å; F334-I376 HydrophobicContact CE1-CD1 4.35Å; F334-I376 HydrophobicContact CE1-CG1 3.57Å; F334-I376 HydrophobicContact CZ-CG1 4.39Å; I372-I376 HydrophobicContact CG2-CD1 3.66Å; I372-I376 HydrophobicContact CG2-CG1 4.23Å; I372-I376 WeakPolarHBondContact O-CG1 3.34Å; I372-I376 PolarHBondContact O-N 2.85Å; I373-I376 PolarHBondContact O-N 3.43Å; I376-I378 VanDerWaalsContact C-N 3.34Å; I376-I378 PolarHBondContact O-N 2.89Å; I376-I379 PolarHBondContact O-N 2.86Å; I376-M380 HydrophobicContact CG2-CG 4.14Å; I376-M380 HydrophobicContact CG2-SD 3.6Å; I376-M380 WeakPolarHBondContact O-CB 3.38Å; I376-M380 VanDerWaalsContact O-CG 3.25Å; I376-M380 WeakPolarHBondContact O-CG 3.44Å; I376-M380 PolarHBondContact O-N 2.84Å
377R98.3Very high97.2Very high75 Ų7532.9 Ų32.928%0.28318%0.181SC..Hα-helixtrans-63-38.2178.3-76.3-172.8174.9171.50.4113E171 L175 I373 S374 M380 G381 K382 D383E171-R377 IonicContact OE1-CZ 3.92Å; E171-R377 IonicContact OE1-NH1 3.52Å; E171-R377 IonicContact OE1-NH2 3.61Å; E171-R377 PolarHBondContact OE1-NH2 3.29Å; L175-R377 HydrophobicContact CD1-CG 4.32Å; L175-R377 HydrophobicContact CD2-CG 3.89Å; I373-R377 HydrophobicContact CG2-CG 4.39Å; I373-R377 WeakPolarHBondContact O-CB 3.42Å; I373-R377 WeakPolarHBondContact O-CG 3.36Å; I373-R377 PolarHBondContact O-N 2.72Å; S374-R377 PolarHBondContact O-N 2.81Å; R377-M380 PolarHBondContact O-N 3.35Å; R377-G381 PolarHBondContact O-N 3.19Å; R377-G381 VanDerWaalsContact O-N 3.1Å; R377-K382 HydrophobicContact CB-CB 4.11Å; R377-K382 HydrophobicContact CG-CB 4.27Å; R377-K382 HydrophobicContact CG-CD 4.4Å; R377-K382 PolarHBondContact O-N 3.22Å; R377-D383 HydrophobicContact CB-CB 4.19Å; R377-D383 VanDerWaalsContact CB-CG 3.47Å; R377-D383 WeakPolarHBondContact CB-OD2 3.45Å; R377-D383 VanDerWaalsContact CD-OD1 3.3Å; R377-D383 WeakPolarHBondContact CD-OD1 3.47Å; R377-D383 WeakPolarHBondContact CD-OD2 3.43Å; R377-D383 PolarHBondContact O-N 3.07Å
378I97.9Very high97.2Very high3 Ų332.2 Ų32.22%0.01518%0.177CC..Hα-helixtrans-66-43.7173.7-67.8165.7000110.5F134 P140 S374 S375 I376 M380 G381 D383 I384 E387 G388F134-I378 HydrophobicContact CE1-CB 4.15Å; F134-I378 HydrophobicContact CE1-CD1 3.98Å; F134-I378 HydrophobicContact CE1-CG2 3.94Å; F134-I378 HydrophobicContact CZ-CB 4.02Å; F134-I378 HydrophobicContact CZ-CG2 3.75Å; P140-I378 HydrophobicContact CB-CD1 4.28Å; P140-I378 HydrophobicContact CG-CD1 3.59Å; S374-I378 WeakPolarHBondContact O-CD1 3.42Å; S374-I378 VanDerWaalsContact O-CG1 3.25Å; S374-I378 WeakPolarHBondContact O-CG1 3.35Å; S374-I378 PolarHBondContact O-N 3.47Å; S375-I378 PolarHBondContact O-N 2.9Å; I376-I378 VanDerWaalsContact C-N 3.34Å; I376-I378 PolarHBondContact O-N 2.89Å; I378-M380 VanDerWaalsContact C-N 3.28Å; I378-M380 PolarHBondContact O-N 3.01Å; I378-G381 PolarHBondContact O-N 2.94Å; I378-D383 HydrophobicContact CG1-CB 4.19Å; I378-I384 HydrophobicContact CD1-CD1 4.34Å; I378-I384 HydrophobicContact CG1-CD1 4.3Å; I378-I384 HydrophobicContact CG1-CG1 4.34Å; I378-E387 HydrophobicContact CG2-CB 4.01Å; I378-E387 HydrophobicContact CG2-CG 3.65Å; I378-G388 PolarHBondContact O-N 3.04Å
379I97.9Very high97.3Very high10 Ų1036.6 Ų36.65%0.05120%0.196CC..Hα-helixtrans-59.2-42.6176.4-65.4162000110.8L132 F134 F179 F334 S375 I376 G381 L392L132-I379 HydrophobicContact CD1-CD1 3.46Å; L132-I379 VanDerWaalsContact CD1-CD1 3.46Å; L132-I379 HydrophobicContact CD1-CG1 3.73Å; F134-I379 HydrophobicContact CE2-CD1 3.8Å; F134-I379 HydrophobicContact CE2-CG1 3.63Å; F134-I379 HydrophobicContact CZ-CG1 4.04Å; F179-I379 HydrophobicContact CE2-CB 4.46Å; F179-I379 HydrophobicContact CE2-CG2 3.67Å; F179-I379 HydrophobicContact CZ-CG2 3.86Å; F334-I379 HydrophobicContact CD1-CD1 3.88Å; F334-I379 HydrophobicContact CE1-CD1 3.66Å; S375-I379 WeakPolarHBondContact O-CD1 3.42Å; S375-I379 WeakPolarHBondContact O-CG1 3.21Å; S375-I379 PolarHBondContact O-N 2.83Å; I376-I379 PolarHBondContact O-N 2.86Å; I379-G381 PolarHBondContact O-N 2.82Å; I379-L392 HydrophobicContact CG2-CD1 4.45Å
380M97.7Very high97.3Very high45 Ų4542.8 Ų42.822%0.22222%0.22CC..THydrogen-bonded Turntrans-76.1-4.2178.3-65.9176.981.400114L175 E178 F179 I376 R377 I378 K382L175-M380 HydrophobicContact CD1-SD 3.73Å; L175-M380 HydrophobicContact CG-SD 4.49Å; E178-M380 HydrophobicContact CG-CE 3.9Å; E178-M380 VanDerWaalsContact OE1-CE 3.26Å; E178-M380 WeakPolarHBondContact OE1-CE 3.21Å; F179-M380 HydrophobicContact CB-SD 4.16Å; F179-M380 HydrophobicContact CD2-CG 3.61Å; F179-M380 HydrophobicContact CD2-SD 3.98Å; F179-M380 HydrophobicContact CE2-CG 4.14Å; I376-M380 HydrophobicContact CG2-CG 4.14Å; I376-M380 HydrophobicContact CG2-SD 3.6Å; I376-M380 WeakPolarHBondContact O-CB 3.38Å; I376-M380 VanDerWaalsContact O-CG 3.25Å; I376-M380 WeakPolarHBondContact O-CG 3.44Å; I376-M380 PolarHBondContact O-N 2.84Å; R377-M380 PolarHBondContact O-N 3.35Å; I378-M380 VanDerWaalsContact C-N 3.28Å; I378-M380 PolarHBondContact O-N 3.01Å; M380-K382 HydrophobicContact CB-CD 4.43Å; M380-K382 HydrophobicContact CB-CG 4.07Å; M380-K382 PolarHBondContact O-N 3.08Å; M380-K382 HydrophobicContact SD-CD 4.43Å
381G97.2Very high97.2Very high22 Ų2243.6 Ų43.623%0.22722%0.221CC..THydrogen-bonded Turntrans69.516-175.800000114.9R377 I378 I379R377-G381 PolarHBondContact O-N 3.19Å; R377-G381 VanDerWaalsContact O-N 3.1Å; I378-G381 PolarHBondContact O-N 2.94Å; I379-G381 PolarHBondContact O-N 2.82Å
382K97.1Very high97.3Very high96 Ų9643.2 Ų43.242%0.41722%0.22SC..SBendtrans-74.6-40.3179.2-69.7-174.7174.3-175.30112.8L175 E178 R377 M380L175-K382 HydrophobicContact CD1-CD 4.42Å; E178-K382 WeakPolarHBondContact OE1-CE 3.44Å; E178-K382 IonicContact OE1-NZ 3.8Å; E178-K382 PolarHBondContact OE1-NZ 2.93Å; E178-K382 IonicContact OE2-NZ 2.76Å; E178-K382 PolarHBondContact OE2-NZ 2.77Å; R377-K382 HydrophobicContact CB-CB 4.11Å; R377-K382 HydrophobicContact CG-CB 4.27Å; R377-K382 HydrophobicContact CG-CD 4.4Å; R377-K382 PolarHBondContact O-N 3.22Å; M380-K382 HydrophobicContact CB-CD 4.43Å; M380-K382 HydrophobicContact CB-CG 4.07Å; M380-K382 PolarHBondContact O-N 3.08Å; M380-K382 HydrophobicContact SD-CD 4.43Å
383D95.4Very high97.2Very high75 Ų7549.7 Ų49.740%0.40125%0.248SC..SBendtrans-95.4-41.8-179.7-72-8.9000111.9R377 I378R377-D383 HydrophobicContact CB-CB 4.19Å; R377-D383 VanDerWaalsContact CB-CG 3.47Å; R377-D383 WeakPolarHBondContact CB-OD2 3.45Å; R377-D383 VanDerWaalsContact CD-OD1 3.3Å; R377-D383 WeakPolarHBondContact CD-OD1 3.47Å; R377-D383 WeakPolarHBondContact CD-OD2 3.43Å; R377-D383 PolarHBondContact O-N 3.07Å; I378-D383 HydrophobicContact CG1-CB 4.19Å
384I95.9Very high97.1Very high69 Ų6951.1 Ų51.135%0.35426%0.258SS..SBendtrans-133.694.8179-53.3178.4000108.3P140 I378 G386 E387P140-I384 HydrophobicContact CB-CD1 4.34Å; P140-I384 HydrophobicContact CG-CD1 3.82Å; I378-I384 HydrophobicContact CD1-CD1 4.34Å; I378-I384 HydrophobicContact CG1-CD1 4.3Å; I378-I384 HydrophobicContact CG1-CG1 4.34Å; I384-G386 PolarHBondContact O-N 3.45Å; I384-E387 HydrophobicContact CB-CB 4.03Å; I384-E387 HydrophobicContact CG2-CB 3.65Å; I384-E387 HydrophobicContact CG2-CG 4.41Å; I384-E387 PolarHBondContact O-N 3.13Å
385P95.8Very high97.1Very high109 Ų10950.9 Ų50.971%0.70826%0.256SS*.THydrogen-bonded Turntrans-54.7136.1-179.9-27.535.3000112.5E387P385-E387 PolarHBondContact O-N 3.32Å
386G96Very high97.1Very high35 Ų3552.7 Ų52.736%0.36127%0.271SS..THydrogen-bonded Turntrans77.8-16.2178.300000116.3I384 E389 R390I384-G386 PolarHBondContact O-N 3.45Å; G386-E389 PolarHBondContact O-N 2.94Å; G386-R390 WeakPolarHBondContact O-CB 3.17Å; G386-R390 PolarHBondContact O-N 3.32Å
387E96.4Very high97Very high35 Ų3557 Ų5716%0.16429%0.292CS..Hα-helixtrans-69.3-39.2-177.9176.660.2-174.200112.5I378 I384 P385 R390 R391I378-E387 HydrophobicContact CG2-CB 4.01Å; I378-E387 HydrophobicContact CG2-CG 3.65Å; I384-E387 HydrophobicContact CB-CB 4.03Å; I384-E387 HydrophobicContact CG2-CB 3.65Å; I384-E387 HydrophobicContact CG2-CG 4.41Å; I384-E387 PolarHBondContact O-N 3.13Å; P385-E387 PolarHBondContact O-N 3.32Å; E387-R390 PolarHBondContact O-N 2.68Å; E387-R390 IonicContact OE1-CZ 3.88Å; E387-R390 IonicContact OE1-NE 2.79Å; E387-R390 IonicContact OE1-NH2 3.87Å; E387-R390 PolarHBondContact OE1-NH2 3.38Å; E387-R390 IonicContact OE2-CZ 3.76Å; E387-R390 IonicContact OE2-NE 3.85Å; E387-R390 PolarHBondContact OE2-NE 2.86Å; E387-R390 IonicContact OE2-NH2 2.65Å; E387-R390 PolarHBondContact OE2-NH2 3.37Å; E387-R391 WeakPolarHBondContact O-CG 3.47Å; E387-R391 PolarHBondContact O-N 2.96Å; E387-R391 IonicContact OE1-CZ 2.79Å; E387-R391 IonicContact OE1-NE 2.86Å; E387-R391 PolarHBondContact OE1-NE 2.88Å; E387-R391 IonicContact OE1-NH2 2.71Å; E387-R391 PolarHBondContact OE1-NH2 3.49Å
388G96.8Very high97Very high1 Ų153.8 Ų53.81%0.0128%0.28CS..Hα-helixtrans-58.9-49.2172.900000112.9I378 R390 R391 L392I378-G388 PolarHBondContact O-N 3.04Å; G388-R390 VanDerWaalsContact C-N 3.35Å; G388-R390 PolarHBondContact O-N 3.25Å; G388-R391 PolarHBondContact O-N 3.36Å; G388-L392 WeakPolarHBondContact O-CG 3.48Å; G388-L392 PolarHBondContact O-N 2.91Å
389E96.9Very high97Very high137 Ų13753.7 Ų53.764%0.6428%0.279SS*.Hα-helixtrans-60.6-43.4177.9-62.5171.2170.700111.5G386 L392 K393G386-E389 PolarHBondContact O-N 2.94Å; E389-L392 PolarHBondContact O-N 3.28Å; E389-K393 VanDerWaalsContact O-CB 3.29Å; E389-K393 WeakPolarHBondContact O-CB 3.28Å; E389-K393 PolarHBondContact O-N 3.31Å
390R97.4Very high97Very high131 Ų13156 Ų5649%0.49429%0.287SS..Hα-helixtrans-59.3-47.2175.8-170.9-168.17180.41.1111.5G386 E387 G388 C394G386-R390 WeakPolarHBondContact O-CB 3.17Å; G386-R390 PolarHBondContact O-N 3.32Å; E387-R390 PolarHBondContact O-N 2.68Å; E387-R390 IonicContact OE1-CZ 3.88Å; E387-R390 IonicContact OE1-NE 2.79Å; E387-R390 IonicContact OE1-NH2 3.87Å; E387-R390 PolarHBondContact OE1-NH2 3.38Å; E387-R390 IonicContact OE2-CZ 3.76Å; E387-R390 IonicContact OE2-NE 3.85Å; E387-R390 PolarHBondContact OE2-NE 2.86Å; E387-R390 IonicContact OE2-NH2 2.65Å; E387-R390 PolarHBondContact OE2-NH2 3.37Å; G388-R390 VanDerWaalsContact C-N 3.35Å; G388-R390 PolarHBondContact O-N 3.25Å; R390-C394 VanDerWaalsContact O-CB 3.23Å; R390-C394 WeakPolarHBondContact O-CB 3.29Å; R390-C394 PolarHBondContact O-N 3.45Å
391R97.3Very high97Very high47 Ų4754 Ų5418%0.17728%0.277CS..Hα-helixtrans-64.1-45.5179.4-72.2177.9-177.6-103.3-7.4111.9L132 E387 G388 C394 L395 S467L132-R391 HydrophobicContact CD2-CB 3.98Å; L132-R391 WeakPolarHBondContact O-CD 3.43Å; L132-R391 PolarHBondContact O-NH1 2.82Å; E387-R391 WeakPolarHBondContact O-CG 3.47Å; E387-R391 PolarHBondContact O-N 2.96Å; E387-R391 IonicContact OE1-CZ 2.79Å; E387-R391 IonicContact OE1-NE 2.86Å; E387-R391 PolarHBondContact OE1-NE 2.88Å; E387-R391 IonicContact OE1-NH2 2.71Å; E387-R391 PolarHBondContact OE1-NH2 3.49Å; G388-R391 PolarHBondContact O-N 3.36Å; R391-C394 PolarHBondContact O-N 3.4Å; R391-L395 WeakPolarHBondContact O-CB 3.4Å; R391-L395 PolarHBondContact O-N 3.18Å; R391-S467 VanDerWaalsContact O-CB 3.24Å; R391-S467 WeakPolarHBondContact O-CB 3.49Å
392L97.9Very high97Very high13 Ų1352.9 Ų52.97%0.06827%0.266CS..Hα-helixtrans-62.7-45.1178.4-73.7164.8000112L132 G303 I379 G388 E389 L395 A396L132-L392 HydrophobicContact CD2-CD2 3.94Å; L132-L392 HydrophobicContact CD2-CG 4.23Å; G303-L392 WeakPolarHBondContact O-CD2 3.49Å; I379-L392 HydrophobicContact CG2-CD1 4.45Å; G388-L392 WeakPolarHBondContact O-CG 3.48Å; G388-L392 PolarHBondContact O-N 2.91Å; E389-L392 PolarHBondContact O-N 3.28Å; L392-L395 PolarHBondContact O-N 3.07Å; L392-A396 PolarHBondContact O-N 3.12Å
393K96.9Very high97Very high136 Ų13648.4 Ų48.459%0.59125%0.247SC*.Hα-helixtrans-61.2-48.1175.7179.8176.4173.8-178.40111.5E389 L395 A396 E397E389-K393 VanDerWaalsContact O-CB 3.29Å; E389-K393 WeakPolarHBondContact O-CB 3.28Å; E389-K393 PolarHBondContact O-N 3.31Å; K393-L395 VanDerWaalsContact C-N 3.34Å; K393-L395 PolarHBondContact O-N 3.01Å; K393-A396 PolarHBondContact O-N 3.46Å; K393-E397 WeakPolarHBondContact CE-OE1 3.27Å; K393-E397 WeakPolarHBondContact O-CG 3.21Å; K393-E397 PolarHBondContact O-N 3.33Å
394C97.4Very high97.1Very high29 Ų2944.9 Ų44.920%0.19623%0.228CC..Hα-helixtrans-61.1-42.1178.5-177.30000111.8R390 R391 E397 N398 S467R390-C394 VanDerWaalsContact O-CB 3.23Å; R390-C394 WeakPolarHBondContact O-CB 3.29Å; R390-C394 PolarHBondContact O-N 3.45Å; R391-C394 PolarHBondContact O-N 3.4Å; C394-E397 PolarHBondContact O-N 2.92Å; C394-N398 VanDerWaalsContact O-CB 3.29Å; C394-N398 WeakPolarHBondContact O-CB 3.22Å; C394-N398 PolarHBondContact O-N 3.48Å; C394-S467 PolarHBondContact SG-O 3.43Å; C394-S467 VanDerWaalsContact SG-O 3.4Å
395L98.1Very high97.2Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-58.6-50.1174.3176.860.2000111.5L132 A304 R391 L392 K393 E397 N398 I399 I465L132-L395 HydrophobicContact CD2-CD2 4.18Å; A304-L395 HydrophobicContact CB-CD2 4.05Å; R391-L395 WeakPolarHBondContact O-CB 3.4Å; R391-L395 PolarHBondContact O-N 3.18Å; L392-L395 PolarHBondContact O-N 3.07Å; K393-L395 VanDerWaalsContact C-N 3.34Å; K393-L395 PolarHBondContact O-N 3.01Å; L395-E397 VanDerWaalsContact C-N 3.34Å; L395-E397 PolarHBondContact O-N 2.76Å; L395-N398 PolarHBondContact O-N 2.98Å; L395-I399 HydrophobicContact CD1-CD1 3.72Å; L395-I399 HydrophobicContact CD1-CG1 4.01Å; L395-I399 HydrophobicContact CG-CD1 3.7Å; L395-I399 HydrophobicContact CG-CG1 4.41Å; L395-I399 WeakPolarHBondContact O-CB 3.4Å; L395-I399 WeakPolarHBondContact O-CD1 3.46Å; L395-I399 WeakPolarHBondContact O-CG1 3.27Å; L395-I399 PolarHBondContact O-N 3.16Å; L395-I465 HydrophobicContact CD1-CG2 4.46Å; L395-I465 VanDerWaalsContact CD1-O 3.28Å; L395-I465 WeakPolarHBondContact CD1-O 3.49Å
396A97.3Very high97.3Very high38 Ų3837.7 Ų37.731%0.31418%0.182SC..Hα-helixtrans-60.7-42.6179.800000112.4L392 K393 R400L392-A396 PolarHBondContact O-N 3.12Å; K393-A396 PolarHBondContact O-N 3.46Å; A396-R400 VanDerWaalsContact O-CG 3.29Å; A396-R400 WeakPolarHBondContact O-CG 3.39Å; A396-R400 PolarHBondContact O-N 2.95Å; A396-R400 VanDerWaalsContact O-N 3.08Å
397E96.5Very high97.3Very high92 Ų9236.6 Ų36.643%0.4317%0.167SC..Hα-helixtrans-63.9-44.3176.1-72.8173.2177.400111.8K393 C394 L395 Y401K393-E397 WeakPolarHBondContact CE-OE1 3.27Å; K393-E397 WeakPolarHBondContact O-CG 3.21Å; K393-E397 PolarHBondContact O-N 3.33Å; C394-E397 PolarHBondContact O-N 2.92Å; L395-E397 VanDerWaalsContact C-N 3.34Å; L395-E397 PolarHBondContact O-N 2.76Å; E397-Y401 WeakPolarHBondContact O-CB 3.31Å; E397-Y401 PolarHBondContact O-N 2.62Å
398N97.8Very high97.3Very high6 Ų636.6 Ų36.63%0.03217%0.168CC..Hα-helixtrans-63.5-42.9177.9-75.5-8.1000112.1C394 L395 F402 I465 S466 H469 L474C394-N398 VanDerWaalsContact O-CB 3.29Å; C394-N398 WeakPolarHBondContact O-CB 3.22Å; C394-N398 PolarHBondContact O-N 3.48Å; L395-N398 PolarHBondContact O-N 2.98Å; N398-F402 VanDerWaalsContact O-CB 3.26Å; N398-F402 WeakPolarHBondContact O-CB 3.28Å; N398-F402 PolarHBondContact O-N 2.88Å; N398-I465 HydrophobicContact CB-CG2 3.61Å; N398-S466 PolarHBondContact ND2-O 3.29Å; N398-H469 PolarHBondContact ND2-O 2.88Å; N398-L474 HydrophobicContact CB-CD1 3.8Å
399I97.8Very high97.3Very high1 Ų137 Ų371%0.00517%0.17CC..Hα-helixtrans-60.3-54.3177.3-69.9164.1000110.3L395 Y401 F402 R403 R417 S419 P420 I465L395-I399 HydrophobicContact CD1-CD1 3.72Å; L395-I399 HydrophobicContact CD1-CG1 4.01Å; L395-I399 HydrophobicContact CG-CD1 3.7Å; L395-I399 HydrophobicContact CG-CG1 4.41Å; L395-I399 WeakPolarHBondContact O-CB 3.4Å; L395-I399 WeakPolarHBondContact O-CD1 3.46Å; L395-I399 WeakPolarHBondContact O-CG1 3.27Å; L395-I399 PolarHBondContact O-N 3.16Å; I399-Y401 VanDerWaalsContact C-N 3.3Å; I399-Y401 PolarHBondContact O-N 2.89Å; I399-F402 PolarHBondContact O-N 2.79Å; I399-R403 HydrophobicContact CG2-CG 4.43Å; I399-R403 WeakPolarHBondContact O-CB 3.4Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.49Å; I399-R403 PolarHBondContact O-N 3.48Å; I399-R417 WeakPolarHBondContact CG2-O 3.45Å; I399-S419 WeakPolarHBondContact CG2-O 3.25Å; I399-P420 HydrophobicContact CD1-CB 3.8Å; I399-P420 HydrophobicContact CG1-CB 4.45Å; I399-I465 HydrophobicContact CG1-CB 3.88Å; I399-I465 HydrophobicContact CG1-CG1 4.4Å; I399-I465 HydrophobicContact CG1-CG2 4.01Å
400R97.2Very high97.3Very high59 Ų5935.1 Ų35.122%0.22316%0.156CC..Hα-helixtrans-61.1-42.4-177.6-70.7172.2-177.9-161.4-1.5111E11 A396 A404 R417 D418 V504E11-R400 IonicContact OE1-CZ 2.72Å; E11-R400 IonicContact OE1-NH1 2.67Å; E11-R400 PolarHBondContact OE1-NH1 3.28Å; E11-R400 IonicContact OE1-NH2 3.67Å; E11-R400 IonicContact OE2-CZ 3.29Å; E11-R400 IonicContact OE2-NH1 3.8Å; E11-R400 IonicContact OE2-NH2 2.76Å; E11-R400 PolarHBondContact OE2-NH2 2.87Å; A396-R400 VanDerWaalsContact O-CG 3.29Å; A396-R400 WeakPolarHBondContact O-CG 3.39Å; A396-R400 PolarHBondContact O-N 2.95Å; A396-R400 VanDerWaalsContact O-N 3.08Å; R400-A404 VanDerWaalsContact O-CB 3.26Å; R400-A404 WeakPolarHBondContact O-CB 3.38Å; R400-A404 PolarHBondContact O-N 3.38Å; R400-R417 HydrophobicContact CG-CG 4.26Å; R400-D418 IonicContact CZ-OD1 2.94Å; R400-D418 VanDerWaalsContact CZ-OD1 3.25Å; R400-D418 IonicContact NE-OD1 2.85Å; R400-D418 PolarHBondContact NE-OD1 2.83Å; R400-D418 IonicContact NH2-OD1 3.19Å; R400-D418 PolarHBondContact NH2-OD1 2.93Å; R400-D418 IonicContact NH2-OD2 3Å; R400-V504 HydrophobicContact CB-CG2 4.46Å
401Y97.4Very high97.3Very high2 Ų228.9 Ų28.91%0.00813%0.133CC..Hα-helixtrans-60.9-54.3176.9179.5-114.9000112.5E397 I399 R403 A404 R405 R471 L474 D475 L478 V504 D508E397-Y401 WeakPolarHBondContact O-CB 3.31Å; E397-Y401 PolarHBondContact O-N 2.62Å; I399-Y401 VanDerWaalsContact C-N 3.3Å; I399-Y401 PolarHBondContact O-N 2.89Å; Y401-R403 VanDerWaalsContact C-N 3.33Å; Y401-R403 PolarHBondContact O-N 3.04Å; Y401-A404 PolarHBondContact O-N 3.15Å; Y401-R405 HydrophobicContact CD2-CG 4.26Å; Y401-R405 HydrophobicContact CE1-CG 4.23Å; Y401-R405 HydrophobicContact CE2-CG 3.84Å; Y401-R405 WeakPolarHBondContact O-CG 3.17Å; Y401-R405 PolarHBondContact O-N 3.27Å; Y401-R405 PolarHBondContact OH-NH1 3.17Å; Y401-R471 VanDerWaalsContact CE2-NH1 3.34Å; Y401-R471 VanDerWaalsContact CG-CZ 3.5Å; Y401-L474 HydrophobicContact CD1-CB 4.4Å; Y401-L474 HydrophobicContact CD1-CD1 4.17Å; Y401-L474 HydrophobicContact CE1-CB 4.39Å; Y401-D475 PolarHBondContact OH-OD1 3Å; Y401-L478 HydrophobicContact CD1-CD1 4.38Å; Y401-L478 HydrophobicContact CE1-CD1 3.83Å; Y401-V504 HydrophobicContact CD2-CG1 4.3Å; Y401-D508 HydrophobicContact CE2-CB 4.29Å; Y401-D508 WeakPolarHBondContact CE2-OD2 3.42Å; Y401-D508 PolarHBondContact OH-OD2 2.63Å
402F98.1Very high97.3Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-59.7-45.4-177.8-172.9-97.9000111.1L126 N398 I399 A404 R405 L406 V422 F463 I465 L474 L478 I481L126-F402 HydrophobicContact CD1-CE2 3.86Å; L126-F402 HydrophobicContact CD1-CZ 3.77Å; N398-F402 VanDerWaalsContact O-CB 3.26Å; N398-F402 WeakPolarHBondContact O-CB 3.28Å; N398-F402 PolarHBondContact O-N 2.88Å; I399-F402 PolarHBondContact O-N 2.79Å; F402-A404 PolarHBondContact O-N 2.85Å; F402-R405 PolarHBondContact O-N 3.27Å; F402-L406 HydrophobicContact CD1-CD1 3.78Å; F402-L406 HydrophobicContact CD1-CG 4.25Å; F402-L406 HydrophobicContact CE1-CD1 3.49Å; F402-L406 VanDerWaalsContact CE1-CD1 3.49Å; F402-L406 HydrophobicContact CE1-CD2 4.38Å; F402-L406 HydrophobicContact CE1-CG 4.08Å; F402-L406 HydrophobicContact CZ-CD1 4.28Å; F402-L406 HydrophobicContact CZ-CD2 4.4Å; F402-L406 WeakPolarHBondContact O-CG 3.39Å; F402-L406 PolarHBondContact O-N 3.14Å; F402-V422 HydrophobicContact CD1-CB 4.36Å; F402-V422 HydrophobicContact CD1-CG1 4.11Å; F402-V422 HydrophobicContact CD1-CG2 4.33Å; F402-V422 HydrophobicContact CE1-CB 4.4Å; F402-V422 HydrophobicContact CE1-CG1 4.21Å; F402-F463 HydrophobicContact CE1-CB 3.8Å; F402-F463 AromaticContact CE1-CD2 3.84Å; F402-F463 HydrophobicContact CE1-CD2 3.84Å; F402-F463 AromaticContact CE1-CG 3.84Å; F402-F463 HydrophobicContact CE1-CG 3.84Å; F402-F463 HydrophobicContact CZ-CB 4.16Å; F402-F463 HydrophobicContact CZ-CD1 4.18Å; F402-F463 HydrophobicContact CZ-CD2 4.04Å; F402-F463 HydrophobicContact CZ-CE2 4.48Å; F402-F463 AromaticContact CZ-CG 3.87Å; F402-F463 HydrophobicContact CZ-CG 3.87Å; F402-I465 HydrophobicContact CB-CD1 4.11Å; F402-I465 HydrophobicContact CB-CG1 4.47Å; F402-I465 HydrophobicContact CD1-CD1 3.56Å; F402-I465 HydrophobicContact CD1-CG1 4.22Å; F402-I465 HydrophobicContact CD2-CD1 4.12Å; F402-I465 HydrophobicContact CE1-CD1 3.88Å; F402-I465 HydrophobicContact CE2-CD1 4.43Å; F402-I465 HydrophobicContact CG-CD1 3.67Å; F402-I465 HydrophobicContact CG-CG1 4.44Å; F402-I465 HydrophobicContact CZ-CD1 4.32Å; F402-L474 HydrophobicContact CD2-CD2 4.09Å; F402-L478 HydrophobicContact CD2-CD1 4.23Å; F402-L478 HydrophobicContact CD2-CD2 3.64Å; F402-L478 HydrophobicContact CD2-CG 3.83Å; F402-L478 HydrophobicContact CE2-CD2 3.64Å; F402-L478 HydrophobicContact CE2-CG 3.91Å; F402-L478 HydrophobicContact CG-CD2 4.36Å; F402-L478 HydrophobicContact CZ-CD2 4.38Å; F402-I481 HydrophobicContact CE2-CD1 3.93Å; F402-I481 HydrophobicContact CZ-CD1 3.62Å
403R97.8Very high97.3Very high2 Ų226.1 Ų26.11%0.00812%0.122CC..Hα-helixtrans-62.2-41.9176.4-67.7178.894.7100.16.9112.5I399 Y401 R405 L406 H407 Y414 G415 N416 R417 S419 V421 V422 W500I399-R403 HydrophobicContact CG2-CG 4.43Å; I399-R403 WeakPolarHBondContact O-CB 3.4Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.49Å; I399-R403 PolarHBondContact O-N 3.48Å; Y401-R403 VanDerWaalsContact C-N 3.33Å; Y401-R403 PolarHBondContact O-N 3.04Å; R403-R405 VanDerWaalsContact C-N 3.33Å; R403-R405 PolarHBondContact O-N 3.37Å; R403-L406 PolarHBondContact O-N 3.45Å; R403-H407 PolarHBondContact O-CD2 2.92Å; R403-H407 PolarHBondContact O-N 3.46Å; R403-Y414 PolarHBondContact NH2-O 2.76Å; R403-G415 VanDerWaalsContact NH2-C 3.32Å; R403-G415 PolarHBondContact NH2-O 2.77Å; R403-N416 PolarHBondContact NE-O 3.31Å; R403-N416 PolarHBondContact NH1-O 3.45Å; R403-N416 VanDerWaalsContact NH1-O 3.13Å; R403-N416 PolarHBondContact NH2-O 3.48Å; R403-R417 WeakPolarHBondContact CD-O 3.47Å; R403-S419 PolarHBondContact NH1-O 2.67Å; R403-V421 PolarHBondContact NH1-O 3.08Å; R403-V422 HydrophobicContact CG-CB 4.44Å; R403-V422 HydrophobicContact CG-CG1 3.75Å; R403-V422 HydrophobicContact CG-CG2 3.79Å; R403-W500 HydrophobicContact CB-CH2 3.88Å
404A97.1Very high97.3Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-61.6-42.5178.400000111.8R400 Y401 F402 H407 E408 W500 A501 V504 L505R400-A404 VanDerWaalsContact O-CB 3.26Å; R400-A404 WeakPolarHBondContact O-CB 3.38Å; R400-A404 PolarHBondContact O-N 3.38Å; Y401-A404 PolarHBondContact O-N 3.15Å; F402-A404 PolarHBondContact O-N 2.85Å; A404-H407 PolarHBondContact O-N 3.42Å; A404-E408 PolarHBondContact O-N 3.16Å; A404-W500 HydrophobicContact CB-CZ3 4.11Å; A404-A501 HydrophobicContact CB-CB 3.82Å; A404-V504 HydrophobicContact CB-CB 4.16Å; A404-V504 HydrophobicContact CB-CG1 3.99Å; A404-L505 HydrophobicContact CB-CD2 4.18Å; A404-L505 HydrophobicContact CB-CG 4.09Å
405R97.7Very high97.2Very high28 Ų2819.1 Ų19.111%0.1069%0.087CC..Hα-helixtrans-67.1-35.7176.2-65-66.6-57.6-73.4-1.5112.5Y401 F402 R403 E408 M409 D475 L478 L505Y401-R405 HydrophobicContact CD2-CG 4.26Å; Y401-R405 HydrophobicContact CE1-CG 4.23Å; Y401-R405 HydrophobicContact CE2-CG 3.84Å; Y401-R405 WeakPolarHBondContact O-CG 3.17Å; Y401-R405 PolarHBondContact O-N 3.27Å; Y401-R405 PolarHBondContact OH-NH1 3.17Å; F402-R405 PolarHBondContact O-N 3.27Å; R403-R405 VanDerWaalsContact C-N 3.33Å; R403-R405 PolarHBondContact O-N 3.37Å; R405-E408 WeakPolarHBondContact CD-OE2 3.19Å; R405-E408 IonicContact CZ-OE2 2.76Å; R405-E408 IonicContact NE-OE2 3.65Å; R405-E408 PolarHBondContact NE-OE2 3.27Å; R405-E408 WeakPolarHBondContact O-CB 3.46Å; R405-E408 PolarHBondContact O-N 3.48Å; R405-M409 HydrophobicContact CB-CE 4.46Å; R405-M409 VanDerWaalsContact O-CG 3.27Å; R405-M409 WeakPolarHBondContact O-CG 3.47Å; R405-M409 PolarHBondContact O-N 2.9Å; R405-M409 VanDerWaalsContact O-N 3.07Å; R405-D475 IonicContact NH1-OD1 3.24Å; R405-D475 PolarHBondContact NH1-OD1 3.28Å; R405-L478 HydrophobicContact CB-CD1 3.61Å; R405-L478 HydrophobicContact CB-CD2 3.66Å; R405-L478 HydrophobicContact CB-CG 4.24Å; R405-L478 HydrophobicContact CG-CD1 3.69Å; R405-L505 HydrophobicContact CG-CD2 4.12Å
406L98Very high97.1Very high0 Ų019.1 Ų19.10%09%0.088CC..Hα-helixtrans-66.8-36.8172.8-65.2177.9000112.9F402 R403 E408 M409 R410 L411 V413 V422 V424 L478 I481F402-L406 HydrophobicContact CD1-CD1 3.78Å; F402-L406 HydrophobicContact CD1-CG 4.25Å; F402-L406 HydrophobicContact CE1-CD1 3.49Å; F402-L406 VanDerWaalsContact CE1-CD1 3.49Å; F402-L406 HydrophobicContact CE1-CD2 4.38Å; F402-L406 HydrophobicContact CE1-CG 4.08Å; F402-L406 HydrophobicContact CZ-CD1 4.28Å; F402-L406 HydrophobicContact CZ-CD2 4.4Å; F402-L406 WeakPolarHBondContact O-CG 3.39Å; F402-L406 PolarHBondContact O-N 3.14Å; R403-L406 PolarHBondContact O-N 3.45Å; L406-E408 VanDerWaalsContact C-N 3.35Å; L406-M409 HydrophobicContact CD2-SD 4.17Å; L406-M409 PolarHBondContact O-N 2.95Å; L406-R410 PolarHBondContact O-N 3.2Å; L406-L411 HydrophobicContact CD2-CD1 3.74Å; L406-L411 PolarHBondContact O-N 3.33Å; L406-V413 HydrophobicContact CB-CG2 3.61Å; L406-V413 HydrophobicContact CD1-CG2 4.21Å; L406-V422 HydrophobicContact CD1-CG1 3.57Å; L406-V424 HydrophobicContact CD1-CG2 3.73Å; L406-V424 HydrophobicContact CD2-CG2 4.43Å; L406-L478 HydrophobicContact CD2-CD2 4.12Å; L406-L478 HydrophobicContact CG-CD2 4.42Å; L406-I481 HydrophobicContact CD2-CD1 4.48Å; L406-I481 HydrophobicContact CD2-CG2 3.93Å
407H96.7Very high97.1Very high11 Ų1118 Ų185%0.0518%0.075CC..Hα-helixtrans-65.1-39172.8-79.2-63.3000111.8R403 A404 M409 R410 I497 W500R403-H407 PolarHBondContact O-CD2 2.92Å; R403-H407 PolarHBondContact O-N 3.46Å; A404-H407 PolarHBondContact O-N 3.42Å; H407-M409 VanDerWaalsContact C-N 3.3Å; H407-M409 PolarHBondContact O-N 2.93Å; H407-R410 PolarHBondContact O-N 2.85Å; H407-R410 VanDerWaalsContact O-N 3.08Å; H407-I497 HydrophobicContact CB-CG2 4.49Å; H407-W500 AromaticContact CD2-CZ2 3.97Å
408E95.6Very high97.1Very high36 Ų3614.2 Ų14.217%0.1686%0.058CC..Hα-helixtrans-58.3-41.1172.7-179.9-177.7-129.200111.9A404 R405 L406 R410 I497 L505 H511A404-E408 PolarHBondContact O-N 3.16Å; R405-E408 WeakPolarHBondContact CD-OE2 3.19Å; R405-E408 IonicContact CZ-OE2 2.76Å; R405-E408 IonicContact NE-OE2 3.65Å; R405-E408 PolarHBondContact NE-OE2 3.27Å; R405-E408 WeakPolarHBondContact O-CB 3.46Å; R405-E408 PolarHBondContact O-N 3.48Å; L406-E408 VanDerWaalsContact C-N 3.35Å; E408-R410 PolarHBondContact O-N 2.92Å; E408-R410 VanDerWaalsContact O-N 3.13Å; E408-I497 HydrophobicContact CB-CD1 4.48Å; E408-L505 HydrophobicContact CB-CD1 4.13Å; E408-H511 IonicContact OE1-ND1 3.7Å
409M96.5Very high97.1Very high10 Ų1013.9 Ų13.95%0.0496%0.056CC..THydrogen-bonded Turntrans-70.60.2175.8-63.2168.9-166.800114.4R405 L406 H407 L411 L478 I481 D482 R491R405-M409 HydrophobicContact CB-CE 4.46Å; R405-M409 VanDerWaalsContact O-CG 3.27Å; R405-M409 WeakPolarHBondContact O-CG 3.47Å; R405-M409 PolarHBondContact O-N 2.9Å; R405-M409 VanDerWaalsContact O-N 3.07Å; L406-M409 HydrophobicContact CD2-SD 4.17Å; L406-M409 PolarHBondContact O-N 2.95Å; H407-M409 VanDerWaalsContact C-N 3.3Å; H407-M409 PolarHBondContact O-N 2.93Å; M409-L411 VanDerWaalsContact C-N 3.26Å; M409-L411 HydrophobicContact CB-CD1 4.13Å; M409-L411 HydrophobicContact CB-CG 4.05Å; M409-L411 PolarHBondContact O-N 2.88Å; M409-L411 HydrophobicContact SD-CD1 4.25Å; M409-L478 HydrophobicContact CE-CB 3.81Å; M409-L478 HydrophobicContact CE-CD2 3.73Å; M409-L478 HydrophobicContact CE-CG 4.36Å; M409-L478 VanDerWaalsContact CE-O 3.31Å; M409-L478 WeakPolarHBondContact CE-O 3.33Å; M409-I481 HydrophobicContact SD-CG2 4.17Å; M409-D482 HydrophobicContact CE-CB 3.89Å; M409-D482 HydrophobicContact CG-CB 4.37Å; M409-D482 WeakPolarHBondContact CG-OD1 3.49Å; M409-D482 HydrophobicContact SD-CB 3.97Å; M409-R491 WeakPolarHBondContact O-CD 3.5Å; M409-R491 VanDerWaalsContact O-CG 3.29Å; M409-R491 WeakPolarHBondContact O-CG 3.47Å
410R96.6Very high97.1Very high97 Ų9713.9 Ų13.937%0.3666%0.056SC..THydrogen-bonded Turntrans5933.8-177.1-55.2-62.2-173.8153.84.4113.9L406 H407 E408 R491 Y492 S493 Q495L406-R410 PolarHBondContact O-N 3.2Å; H407-R410 PolarHBondContact O-N 2.85Å; H407-R410 VanDerWaalsContact O-N 3.08Å; E408-R410 PolarHBondContact O-N 2.92Å; E408-R410 VanDerWaalsContact O-N 3.13Å; R410-R491 HydrophobicContact CB-CB 4.23Å; R410-R491 CarbonylContact O-C 3.52Å; R410-R491 VanDerWaalsContact O-CA 3.31Å; R410-R491 WeakPolarHBondContact O-CA 3.42Å; R410-Y492 PolarHBondContact O-N 2.9Å; R410-Y492 VanDerWaalsContact O-N 3.15Å; R410-S493 VanDerWaalsContact O-CB 3.31Å; R410-S493 WeakPolarHBondContact O-CB 3.28Å; R410-S493 PolarHBondContact O-N 3.49Å; R410-Q495 PolarHBondContact NH1-O 3.07Å
411L97.5Very high97.1Very high0 Ų011 Ų110%05%0.045CC..  trans-84.2148.1171.4-63.8173.9000110.6L406 M409 V413 V424 I481 A485 I490L406-L411 HydrophobicContact CD2-CD1 3.74Å; L406-L411 PolarHBondContact O-N 3.33Å; M409-L411 VanDerWaalsContact C-N 3.26Å; M409-L411 HydrophobicContact CB-CD1 4.13Å; M409-L411 HydrophobicContact CB-CG 4.05Å; M409-L411 PolarHBondContact O-N 2.88Å; M409-L411 HydrophobicContact SD-CD1 4.25Å; L411-V413 HydrophobicContact CB-CG2 4.49Å; L411-V413 PolarHBondContact O-N 3.49Å; L411-V424 HydrophobicContact CB-CG1 4.03Å; L411-V424 HydrophobicContact CD1-CG1 4.21Å; L411-V424 HydrophobicContact CD2-CG1 4.3Å; L411-V424 HydrophobicContact CG-CG1 4.42Å; L411-I481 HydrophobicContact CD1-CG2 3.88Å; L411-A485 HydrophobicContact CD2-CB 3.92Å; L411-I490 HydrophobicContact CD2-CD1 4.04Å; L411-I490 HydrophobicContact CD2-CG1 3.94Å; L411-I490 WeakPolarHBondContact CD2-O 3.06Å
412I97.3Very high97.1Very high1 Ų111 Ų111%0.0055%0.045CC..  trans-78.3106.7171.8-67.2174.8000108.2E18 Y414 V424 I425 Y492E18-I412 HydrophobicContact CB-CG2 4.11Å; E18-I412 HydrophobicContact CG-CG1 4.5Å; E18-I412 WeakPolarHBondContact O-CG2 3.41Å; I412-Y414 HydrophobicContact CG2-CD1 3.83Å; I412-Y414 HydrophobicContact CG2-CE1 3.48Å; I412-Y414 VanDerWaalsContact CG2-CE1 3.48Å; I412-V424 WeakPolarHBondContact O-CA 3.43Å; I412-I425 HydrophobicContact CB-CB 4.08Å; I412-I425 HydrophobicContact CB-CG1 4.39Å; I412-I425 HydrophobicContact CG2-CB 3.86Å; I412-I425 HydrophobicContact CG2-CG1 3.66Å; I412-I425 PolarHBondContact O-N 3.32Å; I412-Y492 HydrophobicContact CD1-CD2 4.43Å
413V97.5Very high97.1Very high1 Ų111 Ų111%0.0065%0.045CC..BIsolated β-bridgetrans-105.2123.4-178.9-172.30000109.8S16 L406 L411 V422 P423 V424S16-V413 PolarHBondContact OG-O 3.41Å; L406-V413 HydrophobicContact CB-CG2 3.61Å; L406-V413 HydrophobicContact CD1-CG2 4.21Å; L411-V413 HydrophobicContact CB-CG2 4.49Å; L411-V413 PolarHBondContact O-N 3.49Å; V413-V422 HydrophobicContact CG1-CG1 3.84Å; V413-P423 WeakPolarHBondContact CA-O 3.46Å; V413-V424 HydrophobicContact CG2-CG2 4.47Å
414Y96.7Very high97.1Very high17 Ų1710.9 Ų10.97%0.0675%0.045CC..  trans-94.7152.6-178.7-87.825.3000113S16 F17 E18 E274 R403 I412 P423 I425 L458S16-Y414 CarbonylContact O-C 3.49Å; S16-Y414 VanDerWaalsContact O-CA 3.29Å; S16-Y414 WeakPolarHBondContact O-CA 3.39Å; F17-Y414 HydrophobicContact CD1-CD2 4Å; F17-Y414 HydrophobicContact CD1-CE2 4.46Å; F17-Y414 HydrophobicContact CD1-CG 4.12Å; E18-Y414 WeakPolarHBondContact O-CE1 3.45Å; E18-Y414 PolarHBondContact O-OH 2.89Å; E274-Y414 CarbonylContact O-C 3.59Å; R403-Y414 PolarHBondContact NH2-O 2.76Å; I412-Y414 HydrophobicContact CG2-CD1 3.83Å; I412-Y414 HydrophobicContact CG2-CE1 3.48Å; I412-Y414 VanDerWaalsContact CG2-CE1 3.48Å; Y414-P423 PolarHBondContact N-O 2.82Å; Y414-P423 VanDerWaalsContact O-CD 3.29Å; Y414-P423 WeakPolarHBondContact O-CD 3.32Å; Y414-I425 HydrophobicContact CD1-CD1 4.15Å; Y414-I425 HydrophobicContact CD1-CG1 3.71Å; Y414-I425 HydrophobicContact CD2-CD1 3.88Å; Y414-I425 HydrophobicContact CD2-CG1 4.31Å; Y414-I425 HydrophobicContact CE1-CD1 4.17Å; Y414-I425 HydrophobicContact CE1-CG1 3.55Å; Y414-I425 HydrophobicContact CE2-CD1 3.88Å; Y414-I425 HydrophobicContact CE2-CG1 4.16Å; Y414-I425 HydrophobicContact CG-CD1 4.01Å; Y414-I425 HydrophobicContact CG-CG1 4.1Å; Y414-L458 HydrophobicContact CE2-CD2 4.11Å
415G96.1Very high97.1Very high0 Ų010.9 Ų10.90%05%0.045CC..EExtended strand (participates in β ladder)trans91.8-165.3171.400000113.7S16 E274 G275 R403S16-G415 PolarHBondContact N-O 2.89Å; S16-G415 PolarHBondContact O-N 3.5Å; E274-G415 WeakPolarHBondContact O-CA 3.13Å; E274-G415 PolarHBondContact O-N 3.01Å; G275-G415 WeakPolarHBondContact O-CA 3.42Å; R403-G415 VanDerWaalsContact NH2-C 3.32Å; R403-G415 PolarHBondContact NH2-O 2.77Å
416N96.8Very high97Very high1 Ų19.6 Ų9.61%0.0054%0.04CC..EExtended strand (participates in β ladder)trans-95.1150.5-172-64.975.5000112.7F13 Y14 E15 G275 S276 I277 R403 D418 S419F13-N416 WeakPolarHBondContact CE1-ND2 3.34Å; F13-N416 WeakPolarHBondContact CZ-ND2 3.5Å; Y14-N416 VanDerWaalsContact O-CA 3.29Å; Y14-N416 WeakPolarHBondContact O-CA 3.06Å; Y14-N416 PolarHBondContact O-ND2 2.78Å; E15-N416 WeakPolarHBondContact CB-ND2 3.27Å; G275-N416 PolarHBondContact O-N 3.03Å; S276-N416 VanDerWaalsContact CA-OD1 3.23Å; S276-N416 WeakPolarHBondContact CA-OD1 3.42Å; I277-N416 HydrophobicContact CB-CB 4.13Å; I277-N416 HydrophobicContact CD1-CB 3.61Å; I277-N416 HydrophobicContact CG1-CB 3.76Å; I277-N416 PolarHBondContact N-OD1 3.2Å; R403-N416 PolarHBondContact NE-O 3.31Å; R403-N416 PolarHBondContact NH1-O 3.45Å; R403-N416 VanDerWaalsContact NH1-O 3.13Å; R403-N416 PolarHBondContact NH2-O 3.48Å; N416-D418 PolarHBondContact O-N 3.46Å; N416-S419 WeakPolarHBondContact O-CB 3.41Å; N416-S419 PolarHBondContact O-N 2.95Å
417R96.3Very high96.7Very high15 Ų159.6 Ų9.66%0.0574%0.04CC..THydrogen-bonded Turntrans-47.6-40.3-179.7-178.9-168.468.7-171.7-4.9113.9E11 Y14 I399 R400 R403 W500E11-R417 IonicContact OE1-NH1 3.65Å; E11-R417 IonicContact OE2-CZ 3.25Å; E11-R417 IonicContact OE2-NH1 3.72Å; E11-R417 IonicContact OE2-NH2 3.72Å; E11-R417 PolarHBondContact OE2-NH2 3.43Å; Y14-R417 HydrophobicContact CD1-CB 4.18Å; Y14-R417 PolarHBondContact O-N 3.45Å; Y14-R417 VanDerWaalsContact O-N 3.14Å; I399-R417 WeakPolarHBondContact CG2-O 3.45Å; R400-R417 HydrophobicContact CG-CG 4.26Å; R403-R417 WeakPolarHBondContact CD-O 3.47Å; R417-W500 HydrophobicContact CB-CZ2 4.16Å; R417-W500 VanDerWaalsContact CD-CD2 3.43Å; R417-W500 HydrophobicContact CG-CD2 3.72Å; R417-W500 HydrophobicContact CG-CE3 3.68Å; R417-W500 HydrophobicContact CG-CH2 3.8Å; R417-W500 HydrophobicContact CG-CZ2 3.79Å; R417-W500 HydrophobicContact CG-CZ3 3.73Å
418D96.9Very high96.5Very high11 Ų1110.1 Ų10.16%0.0594%0.043CC..THydrogen-bonded Turntrans-94.94.3-172.5-59.6-48.6000113.6I277 L305 Y315 R400 N416I277-D418 HydrophobicContact CD1-CB 4.34Å; L305-D418 HydrophobicContact CD2-CB 4.21Å; L305-D418 VanDerWaalsContact CD2-O 3.3Å; L305-D418 WeakPolarHBondContact CD2-O 3.3Å; Y315-D418 HydrophobicContact CE2-CB 3.89Å; Y315-D418 PolarHBondContact OH-OD2 2.91Å; R400-D418 IonicContact CZ-OD1 2.94Å; R400-D418 VanDerWaalsContact CZ-OD1 3.25Å; R400-D418 IonicContact NE-OD1 2.85Å; R400-D418 PolarHBondContact NE-OD1 2.83Å; R400-D418 IonicContact NH2-OD1 3.19Å; R400-D418 PolarHBondContact NH2-OD1 2.93Å; R400-D418 IonicContact NH2-OD2 3Å; N416-D418 PolarHBondContact O-N 3.46Å
419S97.8Very high96.4Very high0 Ų09.4 Ų9.40%04%0.041CC..  trans-79.2131.3-178.1179.40000112.5G275 I399 R403 N416 V421G275-S419 WeakPolarHBondContact O-CB 3.24Å; G275-S419 PolarHBondContact O-OG 3.22Å; I399-S419 WeakPolarHBondContact CG2-O 3.25Å; R403-S419 PolarHBondContact NH1-O 2.67Å; N416-S419 WeakPolarHBondContact O-CB 3.41Å; N416-S419 PolarHBondContact O-N 2.95Å; S419-V421 PolarHBondContact O-N 3.05Å; S419-V421 PolarHBondContact OG-N 2.85Å; S419-V421 PolarHBondContact OG-O 3.05Å
420P97.5Very high96.2Very high0 Ų012.1 Ų12.10%07%0.065CC..SBendtrans-70.3-15.1176.533.9-39.2000113.1Y131 I270 A304 I399 C464 I465Y131-P420 HydrophobicContact CD1-CB 3.77Å; Y131-P420 HydrophobicContact CD1-CG 4.34Å; Y131-P420 HydrophobicContact CD2-CG 4.39Å; Y131-P420 HydrophobicContact CE1-CB 3.75Å; Y131-P420 HydrophobicContact CE1-CG 4.08Å; Y131-P420 HydrophobicContact CE2-CG 4.16Å; Y131-P420 HydrophobicContact CG-CB 4.21Å; Y131-P420 HydrophobicContact CG-CG 4.49Å; I270-P420 VanDerWaalsContact CD1-CD 3.46Å; I270-P420 HydrophobicContact CD1-CG 4.12Å; A304-P420 HydrophobicContact CB-CB 4.37Å; A304-P420 HydrophobicContact CB-CG 3.79Å; I399-P420 HydrophobicContact CD1-CB 3.8Å; I399-P420 HydrophobicContact CG1-CB 4.45Å; P420-C464 WeakPolarHBondContact O-CA 3.46Å; P420-I465 PolarHBondContact O-N 2.87Å; P420-I465 VanDerWaalsContact O-N 3.1Å
421V98Very high96.2Very high0 Ų09.5 Ų9.50%06%0.056CC..EExtended strand (participates in β ladder)trans-91.7115.5173-179.40000107.4Y131 I270 R403 S419 P423 R462Y131-V421 WeakPolarHBondContact OH-CG2 3.44Å; I270-V421 HydrophobicContact CG2-CG2 4.28Å; R403-V421 PolarHBondContact NH1-O 3.08Å; S419-V421 PolarHBondContact O-N 3.05Å; S419-V421 PolarHBondContact OG-N 2.85Å; S419-V421 PolarHBondContact OG-O 3.05Å; V421-P423 HydrophobicContact CG1-CG 4.18Å; V421-P423 WeakPolarHBondContact O-CD 3.41Å; V421-R462 HydrophobicContact CG1-CG 3.71Å
422V98Very high96.1Very high0 Ų09.7 Ų9.70%06%0.058CC..EExtended strand (participates in β ladder)trans-119.788.1-176.6-171.30000109.2F402 R403 L406 V413 F463 I465F402-V422 HydrophobicContact CD1-CB 4.36Å; F402-V422 HydrophobicContact CD1-CG1 4.11Å; F402-V422 HydrophobicContact CD1-CG2 4.33Å; F402-V422 HydrophobicContact CE1-CB 4.4Å; F402-V422 HydrophobicContact CE1-CG1 4.21Å; R403-V422 HydrophobicContact CG-CB 4.44Å; R403-V422 HydrophobicContact CG-CG1 3.75Å; R403-V422 HydrophobicContact CG-CG2 3.79Å; L406-V422 HydrophobicContact CD1-CG1 3.57Å; V413-V422 HydrophobicContact CG1-CG1 3.84Å; V422-F463 HydrophobicContact CB-CB 4.27Å; V422-F463 PolarHBondContact N-O 2.76Å; V422-F463 WeakPolarHBondContact O-CB 3.46Å; V422-F463 WeakPolarHBondContact O-CD2 3.47Å; V422-F463 PolarHBondContact O-N 2.64Å; V422-I465 HydrophobicContact CG2-CG1 3.89Å
423P97.8Very high96Very high0 Ų010.5 Ų10.50%06%0.063CC..EExtended strand (participates in β ladder)trans-81.8136.2177.5-3.822.6000111.6M273 E274 V413 Y414 V421 R460 V461M273-P423 WeakPolarHBondContact O-CG 3.31Å; E274-P423 WeakPolarHBondContact O-CG 3.06Å; V413-P423 WeakPolarHBondContact CA-O 3.46Å; Y414-P423 PolarHBondContact N-O 2.82Å; Y414-P423 VanDerWaalsContact O-CD 3.29Å; Y414-P423 WeakPolarHBondContact O-CD 3.32Å; V421-P423 HydrophobicContact CG1-CG 4.18Å; V421-P423 WeakPolarHBondContact O-CD 3.41Å; P423-R460 HydrophobicContact CB-CG 4.46Å; P423-V461 CarbonylContact C-O 3.51Å; P423-V461 VanDerWaalsContact CA-O 3.28Å; P423-V461 WeakPolarHBondContact CA-O 3.41Å
424V97.9Very high96Very high1 Ų113.5 Ų13.51%0.0068%0.081CC..EExtended strand (participates in β ladder)trans-112.8123.9170.2171.80000109.4L406 L411 I412 V413 V426 R460 V461 F463L406-V424 HydrophobicContact CD1-CG2 3.73Å; L406-V424 HydrophobicContact CD2-CG2 4.43Å; L411-V424 HydrophobicContact CB-CG1 4.03Å; L411-V424 HydrophobicContact CD1-CG1 4.21Å; L411-V424 HydrophobicContact CD2-CG1 4.3Å; L411-V424 HydrophobicContact CG-CG1 4.42Å; I412-V424 WeakPolarHBondContact O-CA 3.43Å; V413-V424 HydrophobicContact CG2-CG2 4.47Å; V424-V426 PolarHBondContact O-N 3.03Å; V424-R460 CarbonylContact O-C 3.36Å; V424-R460 WeakPolarHBondContact O-CA 3.4Å; V424-R460 VanDerWaalsContact O-CB 3.3Å; V424-R460 WeakPolarHBondContact O-CB 3.43Å; V424-V461 PolarHBondContact N-O 3.41Å; V424-V461 PolarHBondContact O-N 3.24Å; V424-F463 HydrophobicContact CB-CE2 4.17Å; V424-F463 HydrophobicContact CG2-CD2 4.12Å; V424-F463 HydrophobicContact CG2-CE2 3.76Å
425I97.2Very high96.1Very high0 Ų012.8 Ų12.80%08%0.078CC..EExtended strand (participates in β ladder)trans-77.8119.5179.5-54.2-53.9000109.8I412 Y414 R460I412-I425 HydrophobicContact CB-CB 4.08Å; I412-I425 HydrophobicContact CB-CG1 4.39Å; I412-I425 HydrophobicContact CG2-CB 3.86Å; I412-I425 HydrophobicContact CG2-CG1 3.66Å; I412-I425 PolarHBondContact O-N 3.32Å; Y414-I425 HydrophobicContact CD1-CD1 4.15Å; Y414-I425 HydrophobicContact CD1-CG1 3.71Å; Y414-I425 HydrophobicContact CD2-CD1 3.88Å; Y414-I425 HydrophobicContact CD2-CG1 4.31Å; Y414-I425 HydrophobicContact CE1-CD1 4.17Å; Y414-I425 HydrophobicContact CE1-CG1 3.55Å; Y414-I425 HydrophobicContact CE2-CD1 3.88Å; Y414-I425 HydrophobicContact CE2-CG1 4.16Å; Y414-I425 HydrophobicContact CG-CD1 4.01Å; Y414-I425 HydrophobicContact CG-CG1 4.1Å; I425-R460 HydrophobicContact CD1-CB 3.83Å
426V95Very high96.1Very high0 Ų012.8 Ų12.80%08%0.078CC..  trans-101.2-27.9-178.7179.20000111.5V424 K431 L432 S459 V461 I490 Y492V424-V426 PolarHBondContact O-N 3.03Å; V426-K431 HydrophobicContact CG1-CB 3.75Å; V426-L432 HydrophobicContact CB-CD1 4.25Å; V426-L432 HydrophobicContact CG2-CD1 4.44Å; V426-S459 PolarHBondContact N-O 3.47Å; V426-V461 HydrophobicContact CG2-CG2 3.65Å; V426-I490 HydrophobicContact CG1-CG2 4.19Å; V426-I490 HydrophobicContact CG2-CD1 4.37Å; V426-Y492 WeakPolarHBondContact O-CE2 3.26Å; V426-Y492 PolarHBondContact O-OH 2.86Å
427C91.4Very high96.1Very high0 Ų016.9 Ų16.90%09%0.094CC..  trans54.4-165.2-168.1-580000111.4T24 S459 Y492T24-C427 HydrophobicContact CG2-CB 3.52Å; C427-S459 PolarHBondContact N-O 2.91Å; C427-Y492 HydrophobicContact CB-CE2 4.48Å
428M92.4Very high96.2Very high22 Ų2219.5 Ų19.511%0.10810%0.104CC..SBendtrans37112.1171.9-58.9-171.9-16500116.6T24 L27 T28 A430 K431 L432T24-M428 HydrophobicContact CG2-CE 4.08Å; L27-M428 HydrophobicContact CB-CE 3.48Å; L27-M428 VanDerWaalsContact CB-CE 3.48Å; L27-M428 HydrophobicContact CB-SD 4.49Å; L27-M428 HydrophobicContact CD1-CE 3.72Å; L27-M428 HydrophobicContact CG-CE 4.26Å; T28-M428 WeakPolarHBondContact OG1-CG 3.46Å; T28-M428 PolarHBondContact OG1-N 2.72Å; T28-M428 VanDerWaalsContact OG1-N 3.16Å; M428-A430 VanDerWaalsContact C-N 3.25Å; M428-A430 PolarHBondContact O-N 2.78Å; M428-K431 HydrophobicContact CB-CB 4.19Å; M428-K431 HydrophobicContact CB-CD 4.23Å; M428-K431 HydrophobicContact CB-CG 3.99Å; M428-K431 HydrophobicContact CG-CD 4.5Å; M428-K431 PolarHBondContact O-N 3.42Å; M428-K431 HydrophobicContact SD-CD 3.93Å; M428-K431 VanDerWaalsContact SD-CE 3.54Å; M428-K431 HydrophobicContact SD-CG 4.3Å; M428-L432 PolarHBondContact O-N 2.82Å
429P92.6Very high96.3Very high21 Ų2119 Ų1914%0.13610%0.101CC..Hα-helixtrans-55.8-36.2-173.421.8-32.7000114F32 L35 L432 V433F32-P429 HydrophobicContact CD1-CG 4.45Å; F32-P429 HydrophobicContact CD2-CG 4.29Å; F32-P429 HydrophobicContact CE1-CB 4.26Å; F32-P429 HydrophobicContact CE1-CG 4.19Å; F32-P429 HydrophobicContact CE2-CB 4.44Å; F32-P429 HydrophobicContact CE2-CG 4.03Å; F32-P429 HydrophobicContact CG-CG 4.5Å; F32-P429 HydrophobicContact CZ-CB 3.98Å; F32-P429 HydrophobicContact CZ-CG 3.97Å; L35-P429 HydrophobicContact CD1-CB 4.1Å; L35-P429 HydrophobicContact CD1-CG 3.54Å; P429-L432 PolarHBondContact O-N 3.42Å; P429-V433 WeakPolarHBondContact O-CG2 3.26Å; P429-V433 PolarHBondContact O-N 3.31Å
430A94Very high96.3Very high67 Ų6720.8 Ų20.855%0.55411%0.11SC*.Hα-helixtrans-63.6-44.3176.400000112.6M428 L432 V433 T434M428-A430 VanDerWaalsContact C-N 3.25Å; M428-A430 PolarHBondContact O-N 2.78Å; A430-L432 VanDerWaalsContact C-N 3.33Å; A430-L432 PolarHBondContact O-N 3.43Å; A430-V433 PolarHBondContact O-N 3.27Å; A430-T434 PolarHBondContact O-N 2.8Å; A430-T434 PolarHBondContact O-OG1 3.23Å
431K96.2Very high96.2Very high42 Ų4227.1 Ų27.118%0.18314%0.14CC..Hα-helixtrans-64.6-38.4179.1-65.8-168178.4-167.70111.6V426 M428 V433 T434 F435 L488 G489 I490 Y492V426-K431 HydrophobicContact CG1-CB 3.75Å; M428-K431 HydrophobicContact CB-CB 4.19Å; M428-K431 HydrophobicContact CB-CD 4.23Å; M428-K431 HydrophobicContact CB-CG 3.99Å; M428-K431 HydrophobicContact CG-CD 4.5Å; M428-K431 PolarHBondContact O-N 3.42Å; M428-K431 HydrophobicContact SD-CD 3.93Å; M428-K431 VanDerWaalsContact SD-CE 3.54Å; M428-K431 HydrophobicContact SD-CG 4.3Å; K431-V433 PolarHBondContact O-N 3.18Å; K431-T434 PolarHBondContact O-N 2.97Å; K431-F435 VanDerWaalsContact O-CB 3.25Å; K431-F435 WeakPolarHBondContact O-CB 3.45Å; K431-F435 PolarHBondContact O-N 3.25Å; K431-L488 WeakPolarHBondContact CE-O 3.35Å; K431-L488 PolarHBondContact NZ-O 2.85Å; K431-G489 PolarHBondContact NZ-O 2.65Å; K431-I490 HydrophobicContact CD-CG2 3.64Å; K431-Y492 WeakPolarHBondContact CD-OH 3.29Å; K431-Y492 PolarHBondContact NZ-OH 2.65Å
432L95.7Very high96.2Very high5 Ų529.3 Ų29.33%0.02615%0.151CC..Hα-helixtrans-58.2-47.3176.9-17271.6000111.9W88 V426 M428 P429 A430 S436 V448W88-L432 HydrophobicContact CH2-CD2 4.06Å; W88-L432 HydrophobicContact CZ2-CD2 4.11Å; V426-L432 HydrophobicContact CB-CD1 4.25Å; V426-L432 HydrophobicContact CG2-CD1 4.44Å; M428-L432 PolarHBondContact O-N 2.82Å; P429-L432 PolarHBondContact O-N 3.42Å; A430-L432 VanDerWaalsContact C-N 3.33Å; A430-L432 PolarHBondContact O-N 3.43Å; L432-S436 PolarHBondContact O-N 3.49Å; L432-V448 HydrophobicContact CD1-CB 3.74Å; L432-V448 HydrophobicContact CD1-CG1 3.67Å; L432-V448 HydrophobicContact CD2-CB 4.26Å; L432-V448 HydrophobicContact CG-CB 3.82Å; L432-V448 HydrophobicContact CG-CG1 3.97Å
433V95.5Very high96.2Very high18 Ų1829.9 Ų29.911%0.10916%0.157CC..Hα-helixtrans-68.2-46.3179.9175.70000110.9A84 P429 A430 K431 F435 S436 R437A84-V433 HydrophobicContact CB-CB 4.48Å; A84-V433 HydrophobicContact CB-CG1 4.1Å; A84-V433 HydrophobicContact CB-CG2 3.48Å; A84-V433 VanDerWaalsContact CB-CG2 3.48Å; P429-V433 WeakPolarHBondContact O-CG2 3.26Å; P429-V433 PolarHBondContact O-N 3.31Å; A430-V433 PolarHBondContact O-N 3.27Å; K431-V433 PolarHBondContact O-N 3.18Å; V433-F435 VanDerWaalsContact C-N 3.3Å; V433-F435 PolarHBondContact O-N 2.88Å; V433-S436 PolarHBondContact O-N 3.44Å; V433-R437 WeakPolarHBondContact O-CG 3.39Å; V433-R437 PolarHBondContact O-N 3.25Å
434T97.2Very high96.3Very high64 Ų6429.9 Ų29.939%0.39316%0.157SC..Hα-helixtrans-62.8-38.3178.3-52.30000111.4A430 K431 S436 R437 R438 L488A430-T434 PolarHBondContact O-N 2.8Å; A430-T434 PolarHBondContact O-OG1 3.23Å; K431-T434 PolarHBondContact O-N 2.97Å; T434-S436 PolarHBondContact O-N 2.91Å; T434-R437 PolarHBondContact O-N 2.76Å; T434-R438 WeakPolarHBondContact O-CB 3.4Å; T434-R438 PolarHBondContact O-N 3.45Å; T434-L488 HydrophobicContact CG2-CD2 3.61Å
435F98.1Very high96.2Very high1 Ų130.2 Ų30.20%0.00416%0.161CC..Hα-helixtrans-57.7-50.7175-171.4-79.3000111.2K431 V433 R437 R438 C439 T446 V461 F463 I481 V484 L488 I490K431-F435 VanDerWaalsContact O-CB 3.25Å; K431-F435 WeakPolarHBondContact O-CB 3.45Å; K431-F435 PolarHBondContact O-N 3.25Å; V433-F435 VanDerWaalsContact C-N 3.3Å; V433-F435 PolarHBondContact O-N 2.88Å; F435-R437 VanDerWaalsContact C-N 3.35Å; F435-R437 PolarHBondContact O-N 3.06Å; F435-R438 PolarHBondContact O-N 2.85Å; F435-C439 WeakPolarHBondContact CE1-SG 3.25Å; F435-C439 WeakPolarHBondContact O-CB 3.13Å; F435-C439 PolarHBondContact O-N 2.96Å; F435-C439 PolarHBondContact O-SG 2.78Å; F435-T446 HydrophobicContact CE1-CG2 4.27Å; F435-V461 HydrophobicContact CD1-CB 4.46Å; F435-V461 HydrophobicContact CD1-CG1 4.41Å; F435-V461 HydrophobicContact CD1-CG2 3.34Å; F435-V461 HydrophobicContact CE1-CB 4.16Å; F435-V461 HydrophobicContact CE1-CG1 3.87Å; F435-V461 HydrophobicContact CE1-CG2 3.45Å; F435-V461 VanDerWaalsContact CE1-CG2 3.45Å; F435-V461 HydrophobicContact CG-CG2 3.96Å; F435-V461 HydrophobicContact CZ-CG2 4.16Å; F435-F463 HydrophobicContact CE1-CZ 4.11Å; F435-F463 AromaticContact CZ-CZ 3.99Å; F435-F463 HydrophobicContact CZ-CZ 3.99Å; F435-I481 HydrophobicContact CZ-CG1 4.42Å; F435-I481 HydrophobicContact CZ-CG2 4.42Å; F435-V484 HydrophobicContact CB-CG1 4.48Å; F435-V484 HydrophobicContact CD2-CG1 3.59Å; F435-V484 HydrophobicContact CE2-CB 4.42Å; F435-V484 HydrophobicContact CE2-CG1 3.96Å; F435-V484 HydrophobicContact CG-CG1 4.13Å; F435-L488 HydrophobicContact CB-CD1 3.74Å; F435-L488 HydrophobicContact CD2-CD1 4.05Å; F435-L488 HydrophobicContact CG-CD1 4.4Å; F435-I490 HydrophobicContact CD2-CD1 3.8Å; F435-I490 HydrophobicContact CE2-CD1 3.82Å
436S97.1Very high96.1Very high0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-61.9-39.5179.9-176.70000113.2R90 L432 V433 T434 L440R90-S436 PolarHBondContact NH1-O 3.44Å; R90-S436 PolarHBondContact NH1-OG 3.37Å; R90-S436 PolarHBondContact NH2-O 2.88Å; R90-S436 PolarHBondContact NH2-OG 2.82Å; L432-S436 PolarHBondContact O-N 3.49Å; V433-S436 PolarHBondContact O-N 3.44Å; T434-S436 PolarHBondContact O-N 2.91Å; S436-L440 WeakPolarHBondContact O-CB 3.4Å; S436-L440 PolarHBondContact O-N 3.45Å
437R96.6Very high96.2Very high88 Ų8833 Ų3333%0.33218%0.178SC..Hα-helixtrans-70.4-48.8178.3-71.2175.1177.5157.42.1111.3R83 D86 V433 T434 F435 L440 E441R83-R437 PolarHBondContact O-NH2 3.47Å; D86-R437 IonicContact OD1-CZ 3.53Å; D86-R437 IonicContact OD1-NE 2.76Å; D86-R437 IonicContact OD1-NH2 3.75Å; D86-R437 PolarHBondContact OD1-NH2 3.27Å; D86-R437 IonicContact OD2-CZ 3.25Å; D86-R437 IonicContact OD2-NE 3.94Å; D86-R437 PolarHBondContact OD2-NE 3.47Å; D86-R437 IonicContact OD2-NH2 2.72Å; D86-R437 PolarHBondContact OD2-NH2 2.99Å; V433-R437 WeakPolarHBondContact O-CG 3.39Å; V433-R437 PolarHBondContact O-N 3.25Å; T434-R437 PolarHBondContact O-N 2.76Å; F435-R437 VanDerWaalsContact C-N 3.35Å; F435-R437 PolarHBondContact O-N 3.06Å; R437-L440 WeakPolarHBondContact O-CB 3.09Å; R437-L440 PolarHBondContact O-N 3.23Å; R437-L440 VanDerWaalsContact O-N 3.12Å; R437-E441 WeakPolarHBondContact O-CG 3.36Å; R437-E441 PolarHBondContact O-N 2.91Å
438R98Very high96.4Very high70 Ų7033.1 Ų33.126%0.26418%0.178SC..Hα-helixtrans-67.1-41.6-176.4-168.566.2-179.7136.85112.8T434 F435 L440 E441 L442 V484 E487T434-R438 WeakPolarHBondContact O-CB 3.4Å; T434-R438 PolarHBondContact O-N 3.45Å; F435-R438 PolarHBondContact O-N 2.85Å; R438-L440 VanDerWaalsContact C-N 3.25Å; R438-L440 PolarHBondContact O-N 2.95Å; R438-E441 WeakPolarHBondContact CD-OE2 3.32Å; R438-E441 IonicContact CZ-OE2 3.53Å; R438-E441 IonicContact NH1-OE2 3.13Å; R438-E441 PolarHBondContact NH1-OE2 3.4Å; R438-E441 PolarHBondContact O-N 3.22Å; R438-L442 HydrophobicContact CG-CD1 4.36Å; R438-L442 WeakPolarHBondContact O-CG 3.32Å; R438-L442 PolarHBondContact O-N 3Å; R438-V484 HydrophobicContact CB-CG1 4.14Å; R438-V484 HydrophobicContact CB-CG2 4.04Å; R438-V484 HydrophobicContact CG-CB 4.5Å; R438-V484 HydrophobicContact CG-CG1 4.26Å; R438-V484 HydrophobicContact CG-CG2 3.55Å; R438-E487 WeakPolarHBondContact CG-OE2 3.42Å; R438-E487 IonicContact CZ-OE2 3.37Å; R438-E487 IonicContact NE-OE1 2.88Å; R438-E487 IonicContact NE-OE2 3.65Å; R438-E487 PolarHBondContact NE-OE2 3.24Å; R438-E487 IonicContact NH2-OE1 3.85Å; R438-E487 PolarHBondContact NH2-OE1 3.27Å; R438-E487 IonicContact NH2-OE2 2.91Å
439C98.2Very high96.5Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-58.2-41.7171.9-73.20000111.3F435 L442 G443 L444 T446 I480F435-C439 WeakPolarHBondContact CE1-SG 3.25Å; F435-C439 WeakPolarHBondContact O-CB 3.13Å; F435-C439 PolarHBondContact O-N 2.96Å; F435-C439 PolarHBondContact O-SG 2.78Å; C439-L442 CarbonylContact O-C 3.51Å; C439-L442 PolarHBondContact O-N 3Å; C439-G443 PolarHBondContact O-N 3.49Å; C439-L444 CarbonylContact C-O 3.56Å; C439-L444 HydrophobicContact CB-CB 4.13Å; C439-L444 HydrophobicContact CB-CD2 4.26Å; C439-L444 HydrophobicContact CB-CG 4.32Å; C439-L444 WeakPolarHBondContact O-CA 3.23Å; C439-L444 WeakPolarHBondContact O-CB 3.49Å; C439-L444 PolarHBondContact O-N 3.47Å; C439-T446 HydrophobicContact CB-CG2 4.05Å; C439-I480 HydrophobicContact CB-CG2 4.44Å
440L97.3Very high96.5Very high37 Ų3731.9 Ų31.919%0.19417%0.173CC..Hα-helixtrans-66.1-44179.9-171.874.4000112.4I102 V123 S436 R437 R438 L442 G443 L444I102-L440 HydrophobicContact CD1-CD1 3.53Å; I102-L440 HydrophobicContact CD1-CD2 3.67Å; I102-L440 HydrophobicContact CD1-CG 4.04Å; V123-L440 HydrophobicContact CB-CD1 4.48Å; V123-L440 HydrophobicContact CG1-CD1 3.9Å; V123-L440 HydrophobicContact CG2-CD1 4.28Å; S436-L440 WeakPolarHBondContact O-CB 3.4Å; S436-L440 PolarHBondContact O-N 3.45Å; R437-L440 WeakPolarHBondContact O-CB 3.09Å; R437-L440 PolarHBondContact O-N 3.23Å; R437-L440 VanDerWaalsContact O-N 3.12Å; R438-L440 VanDerWaalsContact C-N 3.25Å; R438-L440 PolarHBondContact O-N 2.95Å; L440-L442 PolarHBondContact O-N 3.06Å; L440-G443 WeakPolarHBondContact O-CA 3.42Å; L440-G443 PolarHBondContact O-N 3.35Å; L440-L444 WeakPolarHBondContact CA-O 3.48Å; L440-L444 PolarHBondContact N-O 3.35Å
441E96.9Very high96.3Very high133 Ų13331.9 Ų31.962%0.62116%0.161SC*.Hα-helixtrans-55.2-34.5174.7-71.8169.1-168.900112.1R437 R438 G443R437-E441 WeakPolarHBondContact O-CG 3.36Å; R437-E441 PolarHBondContact O-N 2.91Å; R438-E441 WeakPolarHBondContact CD-OE2 3.32Å; R438-E441 IonicContact CZ-OE2 3.53Å; R438-E441 IonicContact NH1-OE2 3.13Å; R438-E441 PolarHBondContact NH1-OE2 3.4Å; R438-E441 PolarHBondContact O-N 3.22Å; E441-G443 VanDerWaalsContact C-N 3.3Å
442L98.1Very high95.9Very high47 Ų4734.7 Ų34.725%0.24618%0.183CC..THydrogen-bonded Turntrans-86.52.1177.2-61.9171.7000113.3R438 C439 L440 I480 V484R438-L442 HydrophobicContact CG-CD1 4.36Å; R438-L442 WeakPolarHBondContact O-CG 3.32Å; R438-L442 PolarHBondContact O-N 3Å; C439-L442 CarbonylContact O-C 3.51Å; C439-L442 PolarHBondContact O-N 3Å; L440-L442 PolarHBondContact O-N 3.06Å; L442-I480 HydrophobicContact CB-CD1 4.2Å; L442-I480 HydrophobicContact CB-CG1 4.03Å; L442-I480 HydrophobicContact CB-CG2 3.76Å; L442-I480 HydrophobicContact CD1-CG2 3.92Å; L442-I480 WeakPolarHBondContact O-CD1 3.45Å; L442-V484 HydrophobicContact CD1-CG2 3.77Å
443G97.6Very high95.4Very high11 Ų1137.8 Ų37.811%0.11321%0.21CC..THydrogen-bonded Turntrans90.622.7175.200000115.5V123 L124 C439 L440 E441V123-G443 WeakPolarHBondContact CA-O 2.95Å; V123-G443 WeakPolarHBondContact CB-O 3.41Å; L124-G443 PolarHBondContact N-O 3.14Å; C439-G443 PolarHBondContact O-N 3.49Å; L440-G443 WeakPolarHBondContact O-CA 3.42Å; L440-G443 PolarHBondContact O-N 3.35Å; E441-G443 VanDerWaalsContact C-N 3.3Å
444L98.3Very high95.1Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-117.3116.5178.4177.763.7000112L124 L126 C439 L440 T446 A477 I480 I481L124-L444 HydrophobicContact CB-CD1 4.06Å; L124-L444 HydrophobicContact CD2-CD1 3.69Å; L124-L444 HydrophobicContact CG-CD1 4.33Å; L126-L444 HydrophobicContact CD1-CD1 3.96Å; L126-L444 HydrophobicContact CG-CD1 4Å; C439-L444 CarbonylContact C-O 3.56Å; C439-L444 HydrophobicContact CB-CB 4.13Å; C439-L444 HydrophobicContact CB-CD2 4.26Å; C439-L444 HydrophobicContact CB-CG 4.32Å; C439-L444 WeakPolarHBondContact O-CA 3.23Å; C439-L444 WeakPolarHBondContact O-CB 3.49Å; C439-L444 PolarHBondContact O-N 3.47Å; L440-L444 WeakPolarHBondContact CA-O 3.48Å; L440-L444 PolarHBondContact N-O 3.35Å; L444-T446 HydrophobicContact CD2-CG2 3.9Å; L444-T446 HydrophobicContact CG-CG2 3.73Å; L444-A477 HydrophobicContact CD1-CB 3.98Å; L444-A477 HydrophobicContact CD2-CB 4.43Å; L444-I480 HydrophobicContact CB-CD1 3.94Å; L444-I480 HydrophobicContact CB-CG2 3.96Å; L444-I480 HydrophobicContact CD2-CB 4.24Å; L444-I480 HydrophobicContact CD2-CG2 3.9Å; L444-I481 HydrophobicContact CD2-CD1 4.2Å; L444-I481 HydrophobicContact CD2-CG1 3.77Å
445G96.7Very high94.8Very high9 Ų938.6 Ų38.69%0.09322%0.215CC..EExtended strand (participates in β ladder)trans-82.4118.2171.500000112.1L124 L126L124-G445 WeakPolarHBondContact O-CA 3.24Å; L124-G445 PolarHBondContact O-N 3.46Å; L126-G445 PolarHBondContact N-O 3.35Å
446T95.9Very high94.5Very high10 Ų1040.8 Ų40.86%0.06123%0.226CC..  trans-125.4153.6179.664.90000111.5F435 C439 L444 V461 F463F435-T446 HydrophobicContact CE1-CG2 4.27Å; C439-T446 HydrophobicContact CB-CG2 4.05Å; L444-T446 HydrophobicContact CD2-CG2 3.9Å; L444-T446 HydrophobicContact CG-CG2 3.73Å; T446-V461 HydrophobicContact CG2-CG1 4.46Å; T446-F463 HydrophobicContact CG2-CD1 4.44Å; T446-F463 HydrophobicContact CG2-CE1 3.69Å
447V95.4Very high94.3Very high48 Ų4842.6 Ų42.629%0.29124%0.236SC..EExtended strand (participates in β ladder)trans-104.2119.3172.6174.40000108.7V449 V461 R462V447-V449 HydrophobicContact CG1-CG2 4.28Å; V447-V461 WeakPolarHBondContact O-CA 3.35Å; V447-R462 PolarHBondContact O-N 3.26Å
448V96.1Very high94.1Very high2 Ų240.8 Ų40.81%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-97.3142.6172.1-73.30000110.8C87 W88 L432 V461C87-V448 HydrophobicContact CB-CG2 4.05Å; W88-V448 HydrophobicContact CD2-CG2 4.4Å; W88-V448 HydrophobicContact CH2-CG2 4.08Å; W88-V448 HydrophobicContact CZ2-CB 4.36Å; W88-V448 HydrophobicContact CZ2-CG2 3.76Å; W88-V448 PolarHBondContact NE1-O 3.22Å; L432-V448 HydrophobicContact CD1-CB 3.74Å; L432-V448 HydrophobicContact CD1-CG1 3.67Å; L432-V448 HydrophobicContact CD2-CB 4.26Å; L432-V448 HydrophobicContact CG-CB 3.82Å; L432-V448 HydrophobicContact CG-CG1 3.97Å; V448-V461 HydrophobicContact CG1-CG2 3.85Å
449V94.9Very high94Very high10 Ų1037.6 Ų37.66%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-130.5126.1178.7-169.80000108.3M273 V447 A453 T454 S459 R460 R462M273-V449 HydrophobicContact SD-CG1 3.99Å; M273-V449 HydrophobicContact SD-CG2 4.34Å; V447-V449 HydrophobicContact CG1-CG2 4.28Å; V449-A453 HydrophobicContact CG1-CB 3.82Å; V449-T454 HydrophobicContact CG1-CG2 3.86Å; V449-S459 WeakPolarHBondContact O-CA 3.44Å; V449-R460 HydrophobicContact CB-CG 4.23Å; V449-R460 PolarHBondContact N-O 2.72Å; V449-R460 PolarHBondContact O-N 3.34Å; V449-R462 HydrophobicContact CG2-CB 4.44Å
450G92Very high93.9Very high8 Ų837.7 Ų37.78%0.08222%0.221CC..  trans-141.9-171177.900000111.2A453 T454G450-A453 WeakPolarHBondContact O-CB 3.32Å; G450-A453 PolarHBondContact O-N 3.38Å; G450-T454 PolarHBondContact O-N 3.18Å
451F90.2Very high93.9Very high66 Ų6635.9 Ų35.929%0.28921%0.212SC..THydrogen-bonded Turntrans-56.4137.9177.6-175.6-91.1000111.9F32 Y76 T454 L456F32-F451 HydrophobicContact CZ-CB 4.49Å; Y76-F451 HydrophobicContact CD2-CD1 4.28Å; Y76-F451 HydrophobicContact CD2-CE1 4.27Å; Y76-F451 HydrophobicContact CE1-CD1 4.44Å; Y76-F451 AromaticContact CE2-CD1 3.59Å; Y76-F451 HydrophobicContact CE2-CD1 3.59Å; Y76-F451 HydrophobicContact CE2-CE1 4.03Å; Y76-F451 AromaticContact CZ-CD1 3.68Å; Y76-F451 PolarHBondContact OH-O 3.28Å; F451-T454 WeakPolarHBondContact CA-O 3.16Å; F451-L456 HydrophobicContact CB-CD2 3.87Å; F451-L456 HydrophobicContact CD1-CD2 4.48Å; F451-L456 HydrophobicContact CD2-CD2 3.63Å; F451-L456 HydrophobicContact CD2-CG 4.48Å; F451-L456 HydrophobicContact CE2-CD2 4.33Å; F451-L456 HydrophobicContact CG-CD2 3.72Å
452P87.6Confident93.9Very high101 Ų10130.5 Ų30.566%0.65619%0.186SC*.THydrogen-bonded Turncis-89-0.97.635.6-36.5000115.7T454P452-T454 VanDerWaalsContact C-N 3.3Å; P452-T454 PolarHBondContact O-N 2.87Å
453A86.7Confident93.9Very high70 Ų7028.2 Ų28.258%0.57917%0.174SC*.THydrogen-bonded Turntrans-68.4-29.6-17700000112.9V449 G450V449-A453 HydrophobicContact CG1-CB 3.82Å; G450-A453 WeakPolarHBondContact O-CB 3.32Å; G450-A453 PolarHBondContact O-N 3.38Å
454T88.5Confident93.9Very high11 Ų1127.8 Ų27.87%0.06717%0.169CC..SBendtrans-125159.4169.558.60000110.5V449 G450 F451 P452 L458V449-T454 HydrophobicContact CG1-CG2 3.86Å; G450-T454 PolarHBondContact O-N 3.18Å; F451-T454 WeakPolarHBondContact CA-O 3.16Å; P452-T454 VanDerWaalsContact C-N 3.3Å; P452-T454 PolarHBondContact O-N 2.87Å; T454-L458 WeakPolarHBondContact CB-O 3.42Å; T454-L458 PolarHBondContact OG1-O 3.06Å
455T90.4Very high93.9Very high88 Ų8827.8 Ų27.854%0.5417%0.169SC..  trans-64.2158.8170.961.60000110.7L457 L458T455-L457 PolarHBondContact O-N 3.32Å; T455-L457 VanDerWaalsContact O-N 3.09Å; T455-L458 PolarHBondContact O-N 3.04Å; T455-L458 WeakPolarHBondContact OG1-CD1 3.11Å; T455-L458 WeakPolarHBondContact OG1-CG 3.49Å
456L91.7Very high93.9Very high47 Ų4727.6 Ų27.625%0.24617%0.166CC..G310 helixtrans-54.8-36.1-169.8-57.8179.5000113.9T28 Y29 F32 F451T28-L456 WeakPolarHBondContact CG2-O 3.36Å; Y29-L456 HydrophobicContact CD1-CD1 4.04Å; Y29-L456 HydrophobicContact CE1-CB 4.35Å; Y29-L456 HydrophobicContact CE1-CD1 3.98Å; F32-L456 HydrophobicContact CD1-CD2 4.06Å; F32-L456 HydrophobicContact CD2-CB 4.07Å; F32-L456 HydrophobicContact CD2-CD1 4.26Å; F32-L456 HydrophobicContact CD2-CD2 3.88Å; F32-L456 HydrophobicContact CD2-CG 4.28Å; F32-L456 HydrophobicContact CE1-CD2 3.87Å; F32-L456 HydrophobicContact CE2-CB 3.9Å; F32-L456 HydrophobicContact CE2-CD2 3.68Å; F32-L456 HydrophobicContact CE2-CG 4.29Å; F32-L456 HydrophobicContact CG-CD1 4.43Å; F32-L456 HydrophobicContact CG-CD2 4.07Å; F32-L456 HydrophobicContact CZ-CD2 3.68Å; F451-L456 HydrophobicContact CB-CD2 3.87Å; F451-L456 HydrophobicContact CD1-CD2 4.48Å; F451-L456 HydrophobicContact CD2-CD2 3.63Å; F451-L456 HydrophobicContact CD2-CG 4.48Å; F451-L456 HydrophobicContact CE2-CD2 4.33Å; F451-L456 HydrophobicContact CG-CD2 3.72Å
457L93.1Very high94Very high38 Ų3827.7 Ų27.720%0.19917%0.167CC..G310 helixtrans-83.4-12.9-179.1-62.1-173.4000114.2A25 T28 Y29 T455A25-L457 HydrophobicContact CB-CD1 4Å; A25-L457 HydrophobicContact CB-CD2 3.84Å; T28-L457 HydrophobicContact CG2-CD2 3.99Å; Y29-L457 HydrophobicContact CD2-CD2 4.1Å; Y29-L457 HydrophobicContact CE2-CD1 3.74Å; Y29-L457 HydrophobicContact CE2-CD2 3.69Å; Y29-L457 HydrophobicContact CE2-CG 3.9Å; Y29-L457 WeakPolarHBondContact OH-CD1 3.43Å; T455-L457 PolarHBondContact O-N 3.32Å; T455-L457 VanDerWaalsContact O-N 3.09Å
458L93Very high94Very high51 Ų5126.6 Ų26.627%0.26716%0.163SC..G310 helixtrans-109.627.6-174-56.8-178.1000112.2Y414 T454 T455 R460Y414-L458 HydrophobicContact CE2-CD2 4.11Å; T454-L458 WeakPolarHBondContact CB-O 3.42Å; T454-L458 PolarHBondContact OG1-O 3.06Å; T455-L458 PolarHBondContact O-N 3.04Å; T455-L458 WeakPolarHBondContact OG1-CD1 3.11Å; T455-L458 WeakPolarHBondContact OG1-CG 3.49Å; L458-R460 PolarHBondContact O-NE 3.19Å
459S95.1Very high94Very high2 Ų226.9 Ų26.91%0.01416%0.164CC..  trans-64.4131.1168.7-65.50000109.9V426 C427 V449V426-S459 PolarHBondContact N-O 3.47Å; C427-S459 PolarHBondContact N-O 2.91Å; V449-S459 WeakPolarHBondContact O-CA 3.44Å
460R96.9Very high94.1Very high2 Ų229.5 Ų29.51%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-148.8157.2-165.267.5-169.27917310.4113M273 E274 P423 V424 I425 V449 L458M273-R460 PolarHBondContact O-NH1 2.92Å; E274-R460 IonicContact OE1-CZ 3.67Å; E274-R460 IonicContact OE1-NH1 3.24Å; E274-R460 PolarHBondContact OE1-NH1 2.99Å; E274-R460 IonicContact OE1-NH2 2.64Å; E274-R460 PolarHBondContact OE1-NH2 3.39Å; P423-R460 HydrophobicContact CB-CG 4.46Å; V424-R460 CarbonylContact O-C 3.36Å; V424-R460 WeakPolarHBondContact O-CA 3.4Å; V424-R460 VanDerWaalsContact O-CB 3.3Å; V424-R460 WeakPolarHBondContact O-CB 3.43Å; I425-R460 HydrophobicContact CD1-CB 3.83Å; V449-R460 HydrophobicContact CB-CG 4.23Å; V449-R460 PolarHBondContact N-O 2.72Å; V449-R460 PolarHBondContact O-N 3.34Å; L458-R460 PolarHBondContact O-NE 3.19Å
461V97.5Very high94.2Very high0 Ų032.3 Ų32.30%019%0.189CC..EExtended strand (participates in β ladder)trans-95.8130.8162.7-179.40000106.8P423 V424 V426 F435 T446 V447 V448 F463P423-V461 CarbonylContact C-O 3.51Å; P423-V461 VanDerWaalsContact CA-O 3.28Å; P423-V461 WeakPolarHBondContact CA-O 3.41Å; V424-V461 PolarHBondContact N-O 3.41Å; V424-V461 PolarHBondContact O-N 3.24Å; V426-V461 HydrophobicContact CG2-CG2 3.65Å; F435-V461 HydrophobicContact CD1-CB 4.46Å; F435-V461 HydrophobicContact CD1-CG1 4.41Å; F435-V461 HydrophobicContact CD1-CG2 3.34Å; F435-V461 HydrophobicContact CE1-CB 4.16Å; F435-V461 HydrophobicContact CE1-CG1 3.87Å; F435-V461 HydrophobicContact CE1-CG2 3.45Å; F435-V461 VanDerWaalsContact CE1-CG2 3.45Å; F435-V461 HydrophobicContact CG-CG2 3.96Å; F435-V461 HydrophobicContact CZ-CG2 4.16Å; T446-V461 HydrophobicContact CG2-CG1 4.46Å; V447-V461 WeakPolarHBondContact O-CA 3.35Å; V448-V461 HydrophobicContact CG1-CG2 3.85Å; V461-F463 HydrophobicContact CB-CE2 4.22Å; V461-F463 HydrophobicContact CB-CZ 4.22Å; V461-F463 HydrophobicContact CG1-CD1 4.13Å; V461-F463 HydrophobicContact CG1-CD2 4.29Å; V461-F463 HydrophobicContact CG1-CE1 3.65Å; V461-F463 HydrophobicContact CG1-CE2 3.8Å; V461-F463 HydrophobicContact CG1-CG 4.45Å; V461-F463 HydrophobicContact CG1-CZ 3.47Å; V461-F463 VanDerWaalsContact CG1-CZ 3.47Å
462R96.8Very high94.5Very high19 Ų1935.5 Ų35.57%0.07221%0.205CC..EExtended strand (participates in β ladder)trans-108.4102.1179.1-174.9178.157.2-168.2-12.5109.8Y129 S272 M273 V421 V447 V449Y129-R462 PolarHBondContact OH-NH1 3.49Å; Y129-R462 PolarHBondContact OH-NH2 3.19Å; S272-R462 WeakPolarHBondContact O-CD 3.38Å; S272-R462 PolarHBondContact O-NH1 2.96Å; M273-R462 VanDerWaalsContact CE-NH1 3.33Å; M273-R462 PolarHBondContact SD-NH1 3.08Å; V421-R462 HydrophobicContact CG1-CG 3.71Å; V447-R462 PolarHBondContact O-N 3.26Å; V449-R462 HydrophobicContact CG2-CB 4.44Å
463F98.1Very high95Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-82.4140.3172.3-56-72.1000110.2L126 F402 V422 V424 F435 T446 V461 I481L126-F463 HydrophobicContact CB-CB 4.44Å; L126-F463 HydrophobicContact CB-CD1 3.78Å; L126-F463 HydrophobicContact CD1-CD1 3.59Å; L126-F463 HydrophobicContact CD1-CE1 4.08Å; L126-F463 HydrophobicContact CD1-CG 4.38Å; L126-F463 HydrophobicContact CG-CD1 4.36Å; L126-F463 CarbonylContact O-C 3.53Å; L126-F463 WeakPolarHBondContact O-CA 3.24Å; F402-F463 HydrophobicContact CE1-CB 3.8Å; F402-F463 AromaticContact CE1-CD2 3.84Å; F402-F463 HydrophobicContact CE1-CD2 3.84Å; F402-F463 AromaticContact CE1-CG 3.84Å; F402-F463 HydrophobicContact CE1-CG 3.84Å; F402-F463 HydrophobicContact CZ-CB 4.16Å; F402-F463 HydrophobicContact CZ-CD1 4.18Å; F402-F463 HydrophobicContact CZ-CD2 4.04Å; F402-F463 HydrophobicContact CZ-CE2 4.48Å; F402-F463 AromaticContact CZ-CG 3.87Å; F402-F463 HydrophobicContact CZ-CG 3.87Å; V422-F463 HydrophobicContact CB-CB 4.27Å; V422-F463 PolarHBondContact N-O 2.76Å; V422-F463 WeakPolarHBondContact O-CB 3.46Å; V422-F463 WeakPolarHBondContact O-CD2 3.47Å; V422-F463 PolarHBondContact O-N 2.64Å; V424-F463 HydrophobicContact CB-CE2 4.17Å; V424-F463 HydrophobicContact CG2-CD2 4.12Å; V424-F463 HydrophobicContact CG2-CE2 3.76Å; F435-F463 HydrophobicContact CE1-CZ 4.11Å; F435-F463 AromaticContact CZ-CZ 3.99Å; F435-F463 HydrophobicContact CZ-CZ 3.99Å; T446-F463 HydrophobicContact CG2-CD1 4.44Å; T446-F463 HydrophobicContact CG2-CE1 3.69Å; V461-F463 HydrophobicContact CB-CE2 4.22Å; V461-F463 HydrophobicContact CB-CZ 4.22Å; V461-F463 HydrophobicContact CG1-CD1 4.13Å; V461-F463 HydrophobicContact CG1-CD2 4.29Å; V461-F463 HydrophobicContact CG1-CE1 3.65Å; V461-F463 HydrophobicContact CG1-CE2 3.8Å; V461-F463 HydrophobicContact CG1-CG 4.45Å; V461-F463 HydrophobicContact CG1-CZ 3.47Å; V461-F463 VanDerWaalsContact CG1-CZ 3.47Å; F463-I481 HydrophobicContact CD1-CD1 4.45Å; F463-I481 HydrophobicContact CE1-CD1 3.7Å; F463-I481 HydrophobicContact CE1-CG1 4.23Å; F463-I481 HydrophobicContact CE2-CD1 4.17Å; F463-I481 HydrophobicContact CZ-CD1 3.53Å; F463-I481 HydrophobicContact CZ-CG1 3.91Å
464C97.3Very high95.5Very high1 Ų128.7 Ų28.71%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-121118175-64.70000108.3L126 S128 Y129 Y131 P420L126-C464 PolarHBondContact O-N 3.42Å; S128-C464 WeakPolarHBondContact O-CB 3.44Å; Y129-C464 HydrophobicContact CD1-CB 4.39Å; Y129-C464 WeakPolarHBondContact CD1-SG 3.26Å; Y129-C464 VanDerWaalsContact CE1-SG 3.56Å; Y131-C464 HydrophobicContact CE1-CB 4.09Å; P420-C464 WeakPolarHBondContact O-CA 3.46Å
465I97.9Very high95.9Very high0 Ų030 Ų300%016%0.159CC..  trans-93.1141.3-175.9-51.4-54.7000110.1L126 Y131 L395 N398 I399 F402 P420 V422L126-I465 HydrophobicContact CD2-CD1 4.29Å; Y131-I465 WeakPolarHBondContact CD1-O 3.33Å; L395-I465 HydrophobicContact CD1-CG2 4.46Å; L395-I465 VanDerWaalsContact CD1-O 3.28Å; L395-I465 WeakPolarHBondContact CD1-O 3.49Å; N398-I465 HydrophobicContact CB-CG2 3.61Å; I399-I465 HydrophobicContact CG1-CB 3.88Å; I399-I465 HydrophobicContact CG1-CG1 4.4Å; I399-I465 HydrophobicContact CG1-CG2 4.01Å; F402-I465 HydrophobicContact CB-CD1 4.11Å; F402-I465 HydrophobicContact CB-CG1 4.47Å; F402-I465 HydrophobicContact CD1-CD1 3.56Å; F402-I465 HydrophobicContact CD1-CG1 4.22Å; F402-I465 HydrophobicContact CD2-CD1 4.12Å; F402-I465 HydrophobicContact CE1-CD1 3.88Å; F402-I465 HydrophobicContact CE2-CD1 4.43Å; F402-I465 HydrophobicContact CG-CD1 3.67Å; F402-I465 HydrophobicContact CG-CG1 4.44Å; F402-I465 HydrophobicContact CZ-CD1 4.32Å; P420-I465 PolarHBondContact O-N 2.87Å; P420-I465 VanDerWaalsContact O-N 3.1Å; V422-I465 HydrophobicContact CG2-CG1 3.89Å
466S97.5Very high96.3Very high6 Ų631 Ų314%0.04215%0.153CC..  trans-121.9152.7-179.3-177.40000111N130 Y131 N398 A468 H469N130-S466 VanDerWaalsContact O-CB 3.28Å; N130-S466 WeakPolarHBondContact O-CB 3.43Å; N130-S466 PolarHBondContact O-OG 3.41Å; Y131-S466 CarbonylContact O-C 3.28Å; Y131-S466 WeakPolarHBondContact O-CA 3.3Å; Y131-S466 PolarHBondContact O-OG 3.29Å; N398-S466 PolarHBondContact ND2-O 3.29Å; S466-A468 PolarHBondContact O-N 3.49Å; S466-A468 PolarHBondContact OG-N 3.3Å; S466-A468 VanDerWaalsContact OG-N 3.07Å; S466-H469 WeakPolarHBondContact CB-ND1 3.07Å; S466-H469 PolarHBondContact N-CE1 2.97Å; S466-H469 PolarHBondContact N-ND1 3.17Å; S466-H469 PolarHBondContact O-N 2.85Å; S466-H469 PolarHBondContact O-ND1 3.01Å
467S96.9Very high96.6Very high12 Ų1228.8 Ų28.88%0.08414%0.142CC..THydrogen-bonded Turntrans-64.5-17.6165.366.30000112.8Y131 L132 R391 C394 H469Y131-S467 PolarHBondContact O-N 2.8Å; L132-S467 WeakPolarHBondContact CA-OG 3.32Å; L132-S467 PolarHBondContact O-OG 2.96Å; R391-S467 VanDerWaalsContact O-CB 3.24Å; R391-S467 WeakPolarHBondContact O-CB 3.49Å; C394-S467 PolarHBondContact SG-O 3.43Å; C394-S467 VanDerWaalsContact SG-O 3.4Å; S467-H469 VanDerWaalsContact C-N 3.33Å
468A95.4Very high96.9Very high25 Ų2527 Ų2721%0.20713%0.132CC..THydrogen-bonded Turntrans-81.1-11.5177.300000113.2S466 T470S466-A468 PolarHBondContact O-N 3.49Å; S466-A468 PolarHBondContact OG-N 3.3Å; S466-A468 VanDerWaalsContact OG-N 3.07Å; A468-T470 PolarHBondContact O-N 3.31Å
469H96.9Very high97.1Very high7 Ų727.6 Ų27.63%0.03214%0.136CC..  trans-75118.7174.3-61.2131.2000109.7N125 N398 S466 S467 L474N125-H469 PolarHBondContact O-CE1 3.46Å; N125-H469 PolarHBondContact O-NE2 2.93Å; N398-H469 PolarHBondContact ND2-O 2.88Å; S466-H469 WeakPolarHBondContact CB-ND1 3.07Å; S466-H469 PolarHBondContact N-CE1 2.97Å; S466-H469 PolarHBondContact N-ND1 3.17Å; S466-H469 PolarHBondContact O-N 2.85Å; S466-H469 PolarHBondContact O-ND1 3.01Å; S467-H469 VanDerWaalsContact C-N 3.33Å; H469-L474 HydrophobicContact CB-CD1 4.45Å; H469-L474 HydrophobicContact CB-CD2 3.77Å; H469-L474 HydrophobicContact CB-CG 3.94Å
470T96.3Very high97.3Very high65 Ų6528.1 Ų28.140%0.39914%0.138SC..  trans-76.8165170.977.40000110.4A468 E472 L473 L474A468-T470 PolarHBondContact O-N 3.31Å; T470-E472 WeakPolarHBondContact CB-OE2 3.34Å; T470-E472 PolarHBondContact O-N 3.02Å; T470-E472 PolarHBondContact OG1-OE2 3.37Å; T470-L473 PolarHBondContact O-N 3.25Å; T470-L473 PolarHBondContact OG1-N 2.89Å; T470-L474 WeakPolarHBondContact O-CG 3.32Å; T470-L474 PolarHBondContact O-N 2.9Å
471R94.9Very high97.4Very high68 Ų6828.1 Ų28.126%0.25714%0.138SC..Hα-helixtrans-59.4-40.2178.3-171.253.948.5128.9-5.8111.5Y401 L473 L474 D475 D508Y401-R471 VanDerWaalsContact CE2-NH1 3.34Å; Y401-R471 VanDerWaalsContact CG-CZ 3.5Å; R471-L473 PolarHBondContact O-N 2.92Å; R471-L474 PolarHBondContact O-N 2.87Å; R471-D475 PolarHBondContact O-N 3.49Å; R471-D508 IonicContact NH1-OD1 2.74Å; R471-D508 PolarHBondContact NH1-OD1 2.93Å
472E96.4Very high97.4Very high133 Ų13329.4 Ų29.462%0.62115%0.145SC*.Hα-helixtrans-64.2-39.9179.3-54.971.5-152.800111.6T470 R476T470-E472 WeakPolarHBondContact CB-OE2 3.34Å; T470-E472 PolarHBondContact O-N 3.02Å; T470-E472 PolarHBondContact OG1-OE2 3.37Å; E472-R476 WeakPolarHBondContact O-CB 3.48Å; E472-R476 PolarHBondContact O-N 2.97Å
473L97Very high97.5Very high27 Ų2732.3 Ų32.314%0.14116%0.16CC..Hα-helixtrans-65.4-46.4174-71.2177.7000110.8L124 T470 R471 D475 R476 A477L124-L473 HydrophobicContact CD1-CB 4.04Å; L124-L473 HydrophobicContact CD1-CD2 4.07Å; L124-L473 WeakPolarHBondContact CD1-O 3.32Å; T470-L473 PolarHBondContact O-N 3.25Å; T470-L473 PolarHBondContact OG1-N 2.89Å; R471-L473 PolarHBondContact O-N 2.92Å; L473-D475 VanDerWaalsContact C-N 3.34Å; L473-D475 PolarHBondContact O-N 3.03Å; L473-R476 PolarHBondContact O-N 3.35Å; L473-A477 PolarHBondContact O-N 3.26Å
474L97.9Very high97.5Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-60.3-44.2177.3-67.5176.7000111.5N398 Y401 F402 H469 T470 R471 R476 A477 L478N398-L474 HydrophobicContact CB-CD1 3.8Å; Y401-L474 HydrophobicContact CD1-CB 4.4Å; Y401-L474 HydrophobicContact CD1-CD1 4.17Å; Y401-L474 HydrophobicContact CE1-CB 4.39Å; F402-L474 HydrophobicContact CD2-CD2 4.09Å; H469-L474 HydrophobicContact CB-CD1 4.45Å; H469-L474 HydrophobicContact CB-CD2 3.77Å; H469-L474 HydrophobicContact CB-CG 3.94Å; T470-L474 WeakPolarHBondContact O-CG 3.32Å; T470-L474 PolarHBondContact O-N 2.9Å; R471-L474 PolarHBondContact O-N 2.87Å; L474-R476 PolarHBondContact O-N 3.06Å; L474-A477 PolarHBondContact O-N 3.4Å; L474-L478 VanDerWaalsContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CB 3.35Å; L474-L478 WeakPolarHBondContact O-CD1 3.43Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 3.23Å
475D97.7Very high97.5Very high39 Ų3932.3 Ų32.321%0.20916%0.159CC..Hα-helixtrans-61.9-42.3176.6-83.2-38.6000112.5Y401 R405 R471 L473 L478 N479Y401-D475 PolarHBondContact OH-OD1 3Å; R405-D475 IonicContact NH1-OD1 3.24Å; R405-D475 PolarHBondContact NH1-OD1 3.28Å; R471-D475 PolarHBondContact O-N 3.49Å; L473-D475 VanDerWaalsContact C-N 3.34Å; L473-D475 PolarHBondContact O-N 3.03Å; D475-L478 PolarHBondContact O-N 2.92Å; D475-N479 WeakPolarHBondContact O-CB 3.18Å; D475-N479 PolarHBondContact O-N 2.93Å; D475-N479 PolarHBondContact O-ND2 2.98Å
476R98Very high97.5Very high110 Ų11037.8 Ų37.842%0.41519%0.185SC..Hα-helixtrans-60.8-46174.2-177.7178.9168-161.5-4.9111.3E472 L473 L474 N479 I480E472-R476 WeakPolarHBondContact O-CB 3.48Å; E472-R476 PolarHBondContact O-N 2.97Å; L473-R476 PolarHBondContact O-N 3.35Å; L474-R476 PolarHBondContact O-N 3.06Å; R476-N479 PolarHBondContact O-N 3.08Å; R476-I480 HydrophobicContact CG-CD1 4.26Å; R476-I480 WeakPolarHBondContact O-CG1 3.45Å; R476-I480 PolarHBondContact O-N 2.61Å; R476-I480 VanDerWaalsContact O-N 3.15Å
477A98.4Very high97.5Very high0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-62.1-44.5177.400000111.8L124 L126 L444 L473 L474 I480 I481L124-A477 HydrophobicContact CD1-CB 3.91Å; L124-A477 HydrophobicContact CD2-CB 4.16Å; L126-A477 HydrophobicContact CD1-CB 3.84Å; L444-A477 HydrophobicContact CD1-CB 3.98Å; L444-A477 HydrophobicContact CD2-CB 4.43Å; L473-A477 PolarHBondContact O-N 3.26Å; L474-A477 PolarHBondContact O-N 3.4Å; A477-I480 PolarHBondContact O-N 3.12Å; A477-I481 WeakPolarHBondContact O-CD1 3.32Å; A477-I481 VanDerWaalsContact O-CG1 3.23Å; A477-I481 WeakPolarHBondContact O-CG1 3.41Å; A477-I481 PolarHBondContact O-N 3.01Å
478L98.4Very high97.5Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-63.6-41.4179.1-74.9166.3000111.9Y401 F402 R405 L406 M409 L474 D475 I480 I481 D482Y401-L478 HydrophobicContact CD1-CD1 4.38Å; Y401-L478 HydrophobicContact CE1-CD1 3.83Å; F402-L478 HydrophobicContact CD2-CD1 4.23Å; F402-L478 HydrophobicContact CD2-CD2 3.64Å; F402-L478 HydrophobicContact CD2-CG 3.83Å; F402-L478 HydrophobicContact CE2-CD2 3.64Å; F402-L478 HydrophobicContact CE2-CG 3.91Å; F402-L478 HydrophobicContact CG-CD2 4.36Å; F402-L478 HydrophobicContact CZ-CD2 4.38Å; R405-L478 HydrophobicContact CB-CD1 3.61Å; R405-L478 HydrophobicContact CB-CD2 3.66Å; R405-L478 HydrophobicContact CB-CG 4.24Å; R405-L478 HydrophobicContact CG-CD1 3.69Å; L406-L478 HydrophobicContact CD2-CD2 4.12Å; L406-L478 HydrophobicContact CG-CD2 4.42Å; M409-L478 HydrophobicContact CE-CB 3.81Å; M409-L478 HydrophobicContact CE-CD2 3.73Å; M409-L478 HydrophobicContact CE-CG 4.36Å; M409-L478 VanDerWaalsContact CE-O 3.31Å; M409-L478 WeakPolarHBondContact CE-O 3.33Å; L474-L478 VanDerWaalsContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CB 3.35Å; L474-L478 WeakPolarHBondContact O-CD1 3.43Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 3.23Å; D475-L478 PolarHBondContact O-N 2.92Å; L478-I480 VanDerWaalsContact C-N 3.32Å; L478-I480 PolarHBondContact O-N 3.1Å; L478-I481 PolarHBondContact O-N 3.17Å; L478-D482 WeakPolarHBondContact O-CB 3.46Å; L478-D482 PolarHBondContact O-N 3.45Å
479N98.3Very high97.5Very high64 Ų6443.8 Ų43.834%0.34222%0.218SC..Hα-helixtrans-62.1-40.3175-70.5-32.8000111.9D475 R476 D482 Q483D475-N479 WeakPolarHBondContact O-CB 3.18Å; D475-N479 PolarHBondContact O-N 2.93Å; D475-N479 PolarHBondContact O-ND2 2.98Å; R476-N479 PolarHBondContact O-N 3.08Å; N479-D482 PolarHBondContact O-N 3.34Å; N479-Q483 WeakPolarHBondContact O-CB 3.34Å; N479-Q483 PolarHBondContact O-N 3.4Å
480I98.6Very high97.4Very high13 Ų1343.4 Ų43.47%0.06722%0.217CC..Hα-helixtrans-65-46.6175-67.5166.3000110.4C439 L442 L444 R476 A477 L478 D482 Q483 V484C439-I480 HydrophobicContact CB-CG2 4.44Å; L442-I480 HydrophobicContact CB-CD1 4.2Å; L442-I480 HydrophobicContact CB-CG1 4.03Å; L442-I480 HydrophobicContact CB-CG2 3.76Å; L442-I480 HydrophobicContact CD1-CG2 3.92Å; L442-I480 WeakPolarHBondContact O-CD1 3.45Å; L444-I480 HydrophobicContact CB-CD1 3.94Å; L444-I480 HydrophobicContact CB-CG2 3.96Å; L444-I480 HydrophobicContact CD2-CB 4.24Å; L444-I480 HydrophobicContact CD2-CG2 3.9Å; R476-I480 HydrophobicContact CG-CD1 4.26Å; R476-I480 WeakPolarHBondContact O-CG1 3.45Å; R476-I480 PolarHBondContact O-N 2.61Å; R476-I480 VanDerWaalsContact O-N 3.15Å; A477-I480 PolarHBondContact O-N 3.12Å; L478-I480 VanDerWaalsContact C-N 3.32Å; L478-I480 PolarHBondContact O-N 3.1Å; I480-D482 VanDerWaalsContact C-N 3.3Å; I480-D482 PolarHBondContact O-N 3.48Å; I480-Q483 PolarHBondContact O-N 3.21Å; I480-V484 HydrophobicContact CG2-CG2 4.41Å; I480-V484 VanDerWaalsContact O-CG2 3.3Å; I480-V484 WeakPolarHBondContact O-CG2 3.22Å; I480-V484 PolarHBondContact O-N 3.43Å
481I98.6Very high97.4Very high1 Ų144.8 Ų44.81%0.00522%0.215CC..Hα-helixtrans-60.6-42.9178.7-68.6162.3000110.4L126 F402 L406 M409 L411 F435 L444 F463 A477 L478 V484 A485L126-I481 HydrophobicContact CD1-CD1 4.42Å; F402-I481 HydrophobicContact CE2-CD1 3.93Å; F402-I481 HydrophobicContact CZ-CD1 3.62Å; L406-I481 HydrophobicContact CD2-CD1 4.48Å; L406-I481 HydrophobicContact CD2-CG2 3.93Å; M409-I481 HydrophobicContact SD-CG2 4.17Å; L411-I481 HydrophobicContact CD1-CG2 3.88Å; F435-I481 HydrophobicContact CZ-CG1 4.42Å; F435-I481 HydrophobicContact CZ-CG2 4.42Å; L444-I481 HydrophobicContact CD2-CD1 4.2Å; L444-I481 HydrophobicContact CD2-CG1 3.77Å; F463-I481 HydrophobicContact CD1-CD1 4.45Å; F463-I481 HydrophobicContact CE1-CD1 3.7Å; F463-I481 HydrophobicContact CE1-CG1 4.23Å; F463-I481 HydrophobicContact CE2-CD1 4.17Å; F463-I481 HydrophobicContact CZ-CD1 3.53Å; F463-I481 HydrophobicContact CZ-CG1 3.91Å; A477-I481 WeakPolarHBondContact O-CD1 3.32Å; A477-I481 VanDerWaalsContact O-CG1 3.23Å; A477-I481 WeakPolarHBondContact O-CG1 3.41Å; A477-I481 PolarHBondContact O-N 3.01Å; L478-I481 PolarHBondContact O-N 3.17Å; I481-V484 PolarHBondContact O-N 2.83Å; I481-A485 WeakPolarHBondContact O-CB 3.48Å; I481-A485 PolarHBondContact O-N 3.38Å
482D98.1Very high97.3Very high28 Ų2842.6 Ų42.615%0.1521%0.206CC..Hα-helixtrans-61.9-47.8179.5-168.944.1000111.8M409 L478 N479 I480 A485 E486 R491M409-D482 HydrophobicContact CE-CB 3.89Å; M409-D482 HydrophobicContact CG-CB 4.37Å; M409-D482 WeakPolarHBondContact CG-OD1 3.49Å; M409-D482 HydrophobicContact SD-CB 3.97Å; L478-D482 WeakPolarHBondContact O-CB 3.46Å; L478-D482 PolarHBondContact O-N 3.45Å; N479-D482 PolarHBondContact O-N 3.34Å; I480-D482 VanDerWaalsContact C-N 3.3Å; I480-D482 PolarHBondContact O-N 3.48Å; D482-A485 PolarHBondContact O-N 2.93Å; D482-E486 PolarHBondContact O-N 3.32Å; D482-R491 IonicContact OD1-CZ 3.9Å; D482-R491 IonicContact OD1-NE 2.84Å; D482-R491 IonicContact OD1-NH2 2.83Å; D482-R491 PolarHBondContact OD1-NH2 3.15Å; D482-R491 IonicContact OD2-NH2 3.76Å
483Q98.3Very high97.2Very high80 Ų8036.9 Ų36.937%0.37418%0.182SC..Hα-helixtrans-58.1-51.7176.1-179.9-176.1-14.800111.2N479 I480 A485 E486 E487N479-Q483 WeakPolarHBondContact O-CB 3.34Å; N479-Q483 PolarHBondContact O-N 3.4Å; I480-Q483 PolarHBondContact O-N 3.21Å; Q483-A485 VanDerWaalsContact C-N 3.29Å; Q483-A485 PolarHBondContact O-N 3.23Å; Q483-E486 PolarHBondContact O-N 2.94Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.29Å; Q483-E487 PolarHBondContact NE2-OE1 3.37Å; Q483-E487 WeakPolarHBondContact O-CG 3.44Å; Q483-E487 PolarHBondContact O-N 2.98Å
484V98.4Very high97Very high0 Ų043.7 Ų43.70%021%0.21CC..Hα-helixtrans-67.1-33.7-178.7178.10000111.4F435 R438 L442 I480 I481 E486 E487 L488F435-V484 HydrophobicContact CB-CG1 4.48Å; F435-V484 HydrophobicContact CD2-CG1 3.59Å; F435-V484 HydrophobicContact CE2-CB 4.42Å; F435-V484 HydrophobicContact CE2-CG1 3.96Å; F435-V484 HydrophobicContact CG-CG1 4.13Å; R438-V484 HydrophobicContact CB-CG1 4.14Å; R438-V484 HydrophobicContact CB-CG2 4.04Å; R438-V484 HydrophobicContact CG-CB 4.5Å; R438-V484 HydrophobicContact CG-CG1 4.26Å; R438-V484 HydrophobicContact CG-CG2 3.55Å; L442-V484 HydrophobicContact CD1-CG2 3.77Å; I480-V484 HydrophobicContact CG2-CG2 4.41Å; I480-V484 VanDerWaalsContact O-CG2 3.3Å; I480-V484 WeakPolarHBondContact O-CG2 3.22Å; I480-V484 PolarHBondContact O-N 3.43Å; I481-V484 PolarHBondContact O-N 2.83Å; V484-E486 VanDerWaalsContact C-N 3.33Å; V484-E487 PolarHBondContact O-N 2.98Å; V484-L488 HydrophobicContact CG1-CD1 3.74Å; V484-L488 HydrophobicContact CG1-CG 4.21Å; V484-L488 WeakPolarHBondContact O-CB 3.27Å; V484-L488 WeakPolarHBondContact O-CG 3.43Å; V484-L488 PolarHBondContact O-N 3.18Å
485A98Very high96.8Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-64.7-39.5177.500000112.4L411 I481 D482 Q483 G489 I490 R491L411-A485 HydrophobicContact CD2-CB 3.92Å; I481-A485 WeakPolarHBondContact O-CB 3.48Å; I481-A485 PolarHBondContact O-N 3.38Å; D482-A485 PolarHBondContact O-N 2.93Å; Q483-A485 VanDerWaalsContact C-N 3.29Å; Q483-A485 PolarHBondContact O-N 3.23Å; A485-G489 PolarHBondContact O-N 2.76Å; A485-G489 VanDerWaalsContact O-N 3.08Å; A485-I490 HydrophobicContact CB-CD1 4.14Å; A485-I490 HydrophobicContact CB-CG1 3.83Å; A485-I490 PolarHBondContact O-N 3.05Å; A485-R491 HydrophobicContact CB-CG 4.43Å
486E97.2Very high96.6Very high115 Ų11550 Ų5054%0.53725%0.247SC..Hα-helixtrans-67.9-50.7173.6-17270.217400111D482 Q483 V484 L488 G489 R491D482-E486 PolarHBondContact O-N 3.32Å; Q483-E486 PolarHBondContact O-N 2.94Å; V484-E486 VanDerWaalsContact C-N 3.33Å; E486-L488 PolarHBondContact O-N 2.81Å; E486-L488 VanDerWaalsContact O-N 3.17Å; E486-G489 PolarHBondContact O-N 3.39Å; E486-R491 IonicContact OE1-NH1 3.61Å; E486-R491 WeakPolarHBondContact OE2-CD 3.36Å; E486-R491 IonicContact OE2-CZ 3.44Å; E486-R491 IonicContact OE2-NE 2.65Å; E486-R491 PolarHBondContact OE2-NE 3.38Å; E486-R491 IonicContact OE2-NH1 2.8Å; E486-R491 PolarHBondContact OE2-NH1 3.45Å; E486-R491 IonicContact OE2-NH2 3.29Å
487E97.5Very high96.4Very high98 Ų9845.2 Ų45.246%0.45823%0.23SC..Hα-helixtrans-54.4-37.7178.9-73.8176.4-170.200112.2R438 Q483 V484R438-E487 WeakPolarHBondContact CG-OE2 3.42Å; R438-E487 IonicContact CZ-OE2 3.37Å; R438-E487 IonicContact NE-OE1 2.88Å; R438-E487 IonicContact NE-OE2 3.65Å; R438-E487 PolarHBondContact NE-OE2 3.24Å; R438-E487 IonicContact NH2-OE1 3.85Å; R438-E487 PolarHBondContact NH2-OE1 3.27Å; R438-E487 IonicContact NH2-OE2 2.91Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.29Å; Q483-E487 PolarHBondContact NE2-OE1 3.37Å; Q483-E487 WeakPolarHBondContact O-CG 3.44Å; Q483-E487 PolarHBondContact O-N 2.98Å; V484-E487 PolarHBondContact O-N 2.98Å
488L96.8Very high96.1Very high30 Ų3045.9 Ų45.916%0.15723%0.234CC..THydrogen-bonded Turntrans-93.5-6.4-178.8-61.4-179.4000114.3K431 T434 F435 V484 E486 I490K431-L488 WeakPolarHBondContact CE-O 3.35Å; K431-L488 PolarHBondContact NZ-O 2.85Å; T434-L488 HydrophobicContact CG2-CD2 3.61Å; F435-L488 HydrophobicContact CB-CD1 3.74Å; F435-L488 HydrophobicContact CD2-CD1 4.05Å; F435-L488 HydrophobicContact CG-CD1 4.4Å; V484-L488 HydrophobicContact CG1-CD1 3.74Å; V484-L488 HydrophobicContact CG1-CG 4.21Å; V484-L488 WeakPolarHBondContact O-CB 3.27Å; V484-L488 WeakPolarHBondContact O-CG 3.43Å; V484-L488 PolarHBondContact O-N 3.18Å; E486-L488 PolarHBondContact O-N 2.81Å; E486-L488 VanDerWaalsContact O-N 3.17Å; L488-I490 HydrophobicContact CB-CG2 3.93Å
489G95.7Very high95.9Very high41 Ų4149.6 Ų49.642%0.42325%0.251SS..THydrogen-bonded Turntrans53.854.6-174.700000112.4K431 A485 E486 Y492K431-G489 PolarHBondContact NZ-O 2.65Å; A485-G489 PolarHBondContact O-N 2.76Å; A485-G489 VanDerWaalsContact O-N 3.08Å; E486-G489 PolarHBondContact O-N 3.39Å; G489-Y492 WeakPolarHBondContact O-CE1 3.46Å
490I95.9Very high95.7Very high0 Ų047.9 Ų47.90%024%0.24CC..  trans-107.611179.860.3163.3000113.7L411 V426 K431 F435 A485 L488 Y492L411-I490 HydrophobicContact CD2-CD1 4.04Å; L411-I490 HydrophobicContact CD2-CG1 3.94Å; L411-I490 WeakPolarHBondContact CD2-O 3.06Å; V426-I490 HydrophobicContact CG1-CG2 4.19Å; V426-I490 HydrophobicContact CG2-CD1 4.37Å; K431-I490 HydrophobicContact CD-CG2 3.64Å; F435-I490 HydrophobicContact CD2-CD1 3.8Å; F435-I490 HydrophobicContact CE2-CD1 3.82Å; A485-I490 HydrophobicContact CB-CD1 4.14Å; A485-I490 HydrophobicContact CB-CG1 3.83Å; A485-I490 PolarHBondContact O-N 3.05Å; L488-I490 HydrophobicContact CB-CG2 3.93Å; I490-Y492 HydrophobicContact CB-CD2 4.5Å; I490-Y492 HydrophobicContact CB-CE2 3.96Å; I490-Y492 HydrophobicContact CG2-CE2 4.12Å; I490-Y492 WeakPolarHBondContact O-CD2 3.39Å; I490-Y492 PolarHBondContact O-N 2.86Å
491R95.3Very high95.5Very high93 Ų9347.2 Ų47.235%0.35124%0.237SC..  trans-73.667.7173.6-61.4-173.1173.1171.3-7.2110.9M409 R410 D482 A485 E486M409-R491 WeakPolarHBondContact O-CD 3.5Å; M409-R491 VanDerWaalsContact O-CG 3.29Å; M409-R491 WeakPolarHBondContact O-CG 3.47Å; R410-R491 HydrophobicContact CB-CB 4.23Å; R410-R491 CarbonylContact O-C 3.52Å; R410-R491 VanDerWaalsContact O-CA 3.31Å; R410-R491 WeakPolarHBondContact O-CA 3.42Å; D482-R491 IonicContact OD1-CZ 3.9Å; D482-R491 IonicContact OD1-NE 2.84Å; D482-R491 IonicContact OD1-NH2 2.83Å; D482-R491 PolarHBondContact OD1-NH2 3.15Å; D482-R491 IonicContact OD2-NH2 3.76Å; A485-R491 HydrophobicContact CB-CG 4.43Å; E486-R491 IonicContact OE1-NH1 3.61Å; E486-R491 WeakPolarHBondContact OE2-CD 3.36Å; E486-R491 IonicContact OE2-CZ 3.44Å; E486-R491 IonicContact OE2-NE 2.65Å; E486-R491 PolarHBondContact OE2-NE 3.38Å; E486-R491 IonicContact OE2-NH1 2.8Å; E486-R491 PolarHBondContact OE2-NH1 3.45Å; E486-R491 IonicContact OE2-NH2 3.29Å
492Y93.2Very high95.2Very high22 Ų2248.7 Ų48.79%0.08624%0.243CC..  trans-86.5-21.4-169.4-60.5-42.7000115.1T24 R410 I412 V426 C427 K431 G489 I490 K494T24-Y492 HydrophobicContact CG2-CD2 4.46Å; T24-Y492 HydrophobicContact CG2-CE1 4.08Å; T24-Y492 HydrophobicContact CG2-CE2 3.91Å; R410-Y492 PolarHBondContact O-N 2.9Å; R410-Y492 VanDerWaalsContact O-N 3.15Å; I412-Y492 HydrophobicContact CD1-CD2 4.43Å; V426-Y492 WeakPolarHBondContact O-CE2 3.26Å; V426-Y492 PolarHBondContact O-OH 2.86Å; C427-Y492 HydrophobicContact CB-CE2 4.48Å; K431-Y492 WeakPolarHBondContact CD-OH 3.29Å; K431-Y492 PolarHBondContact NZ-OH 2.65Å; G489-Y492 WeakPolarHBondContact O-CE1 3.46Å; I490-Y492 HydrophobicContact CB-CD2 4.5Å; I490-Y492 HydrophobicContact CB-CE2 3.96Å; I490-Y492 HydrophobicContact CG2-CE2 4.12Å; I490-Y492 WeakPolarHBondContact O-CD2 3.39Å; I490-Y492 PolarHBondContact O-N 2.86Å; Y492-K494 PolarHBondContact O-N 2.85Å
493S95.1Very high94.9Very high14 Ų1450.8 Ų50.810%0.09825%0.252CS..  trans-66.1128.3-168.9-177.70000110.9E18 R410 Q495E18-S493 WeakPolarHBondContact OE2-CA 3.36Å; E18-S493 VanDerWaalsContact OE2-CB 3.25Å; E18-S493 WeakPolarHBondContact OE2-CB 3.41Å; E18-S493 PolarHBondContact OE2-OG 2.9Å; R410-S493 VanDerWaalsContact O-CB 3.31Å; R410-S493 WeakPolarHBondContact O-CB 3.28Å; R410-S493 PolarHBondContact O-N 3.49Å; S493-Q495 PolarHBondContact OG-N 3.03Å
494K92.3Very high94.6Very high169 Ų16948.8 Ų48.874%0.73525%0.245SC*.  trans-100.9-6.4173.6-62.4-174.2179.8-175.40112.1E18 Y492E18-K494 PolarHBondContact OE1-N 3.05Å; Y492-K494 PolarHBondContact O-N 2.85Å
495Q92.6Very high94.2Very high70 Ų7048.9 Ų48.933%0.32725%0.245SC..SBendtrans-69.1145.4178.5-69.9-174.6-1.500111.1E18 R410 S493E18-Q495 HydrophobicContact CG-CG 4.2Å; R410-Q495 PolarHBondContact NH1-O 3.07Å; S493-Q495 PolarHBondContact OG-N 3.03Å
496P93.2Very high93.6Very high103 Ų10353.2 Ų53.267%0.66926%0.263SS*.PPolyproline II helixtrans-63.5152.5169.229.7-34.5000109.9P498P496-P498 WeakPolarHBondContact O-CD 3.49Å
497I93.9Very high92.9Very high9 Ų955.6 Ų55.65%0.04627%0.271CS..PPolyproline II helixtrans-62.3128.1173.6-62.1173000108H407 E408 A501 K502 L505 F517H407-I497 HydrophobicContact CB-CG2 4.49Å; E408-I497 HydrophobicContact CB-CD1 4.48Å; I497-A501 HydrophobicContact CG2-CB 3.88Å; I497-K502 HydrophobicContact CB-CG 4.35Å; I497-K502 HydrophobicContact CG2-CG 3.87Å; I497-K502 VanDerWaalsContact O-CE 3.26Å; I497-K502 WeakPolarHBondContact O-CE 3.13Å; I497-L505 HydrophobicContact CG2-CD1 4.41Å; I497-F517 HydrophobicContact CD1-CE2 3.35Å; I497-F517 HydrophobicContact CD1-CZ 3.33Å
498P93.9Very high92Very high13 Ų1353 Ų538%0.08426%0.26CS..PPolyproline II helixtrans-59.6145.7-179.5-25.736000112Y14 P496 W500 A501 K502Y14-P498 HydrophobicContact CE1-CG 4.17Å; Y14-P498 HydrophobicContact CE2-CB 3.86Å; Y14-P498 HydrophobicContact CE2-CG 3.87Å; Y14-P498 VanDerWaalsContact CZ-CG 3.46Å; Y14-P498 WeakPolarHBondContact OH-CG 3.36Å; P496-P498 WeakPolarHBondContact O-CD 3.49Å; P498-W500 VanDerWaalsContact C-N 3.32Å; P498-W500 HydrophobicContact CB-CG 4.33Å; P498-W500 VanDerWaalsContact CB-NE1 3.32Å; P498-W500 PolarHBondContact O-N 3.38Å; P498-A501 HydrophobicContact CB-CB 4.27Å; P498-A501 WeakPolarHBondContact O-CA 3.22Å; P498-A501 WeakPolarHBondContact O-CB 3.45Å; P498-A501 PolarHBondContact O-N 2.86Å; P498-K502 PolarHBondContact O-N 2.93Å
499E92.7Very high90.4Very high78 Ų7860.8 Ų60.836%0.36429%0.293SS..Hα-helixtrans-59.1-41.4-178.2-68-57.6134.700112.5A501 K502 E503 S524 L528E499-A501 PolarHBondContact O-N 2.99Å; E499-K502 WeakPolarHBondContact O-CB 3.49Å; E499-K502 PolarHBondContact O-N 3.35Å; E499-K502 VanDerWaalsContact O-N 3.11Å; E499-K502 IonicContact OE1-NZ 3.79Å; E499-K502 PolarHBondContact OE1-NZ 2.92Å; E499-K502 IonicContact OE2-NZ 2.68Å; E499-E503 PolarHBondContact O-N 2.9Å; E499-S524 PolarHBondContact OE2-OG 3.41Å; E499-L528 HydrophobicContact CB-CD1 4.39Å
500W94Very high88.4Confident28 Ų2861.4 Ų61.411%0.10629%0.291CS..Hα-helixtrans-59.6-33.9175.370.4-100.2000112.3Y14 R403 A404 H407 R417 P498 V504Y14-W500 AromaticContact CD1-CE2 3.88Å; Y14-W500 HydrophobicContact CD1-CZ2 4.08Å; Y14-W500 AromaticContact CD1-NE1 3.18Å; Y14-W500 AromaticContact CD2-CD1 3.88Å; Y14-W500 AromaticContact CD2-NE1 3.52Å; Y14-W500 HydrophobicContact CE1-CZ2 4.07Å; Y14-W500 AromaticContact CE1-NE1 3.51Å; Y14-W500 AromaticContact CE2-NE1 3.82Å; Y14-W500 AromaticContact CG-CD1 3.77Å; Y14-W500 AromaticContact CG-NE1 3.2Å; Y14-W500 AromaticContact CZ-NE1 3.84Å; R403-W500 HydrophobicContact CB-CH2 3.88Å; A404-W500 HydrophobicContact CB-CZ3 4.11Å; H407-W500 AromaticContact CD2-CZ2 3.97Å; R417-W500 HydrophobicContact CB-CZ2 4.16Å; R417-W500 VanDerWaalsContact CD-CD2 3.43Å; R417-W500 HydrophobicContact CG-CD2 3.72Å; R417-W500 HydrophobicContact CG-CE3 3.68Å; R417-W500 HydrophobicContact CG-CH2 3.8Å; R417-W500 HydrophobicContact CG-CZ2 3.79Å; R417-W500 HydrophobicContact CG-CZ3 3.73Å; P498-W500 VanDerWaalsContact C-N 3.32Å; P498-W500 HydrophobicContact CB-CG 4.33Å; P498-W500 VanDerWaalsContact CB-NE1 3.32Å; P498-W500 PolarHBondContact O-N 3.38Å; W500-V504 HydrophobicContact CE3-CG2 4.36Å; W500-V504 WeakPolarHBondContact O-CG2 3.37Å; W500-V504 PolarHBondContact O-N 2.91Å; W500-V504 VanDerWaalsContact O-N 3.17Å
501A94.4Very high86.1Confident0 Ų063.7 Ų63.70%030%0.301CS..Hα-helixtrans-72.3-42177.800000110A404 I497 P498 E499 E503 V504 L505A404-A501 HydrophobicContact CB-CB 3.82Å; I497-A501 HydrophobicContact CG2-CB 3.88Å; P498-A501 HydrophobicContact CB-CB 4.27Å; P498-A501 WeakPolarHBondContact O-CA 3.22Å; P498-A501 WeakPolarHBondContact O-CB 3.45Å; P498-A501 PolarHBondContact O-N 2.86Å; E499-A501 PolarHBondContact O-N 2.99Å; A501-E503 VanDerWaalsContact C-N 3.27Å; A501-E503 PolarHBondContact O-N 3.18Å; A501-V504 PolarHBondContact O-N 3.35Å; A501-L505 WeakPolarHBondContact O-CB 3.31Å; A501-L505 WeakPolarHBondContact O-CG 3.43Å; A501-L505 PolarHBondContact O-N 3.25Å
502K92.9Very high84Confident32 Ų3268.9 Ų68.914%0.13932%0.321CS..Hα-helixtrans-57.3-40.2173.3-62.7178.8-177.3170.20112.1I497 P498 E499 L505 Y506 I521I497-K502 HydrophobicContact CB-CG 4.35Å; I497-K502 HydrophobicContact CG2-CG 3.87Å; I497-K502 VanDerWaalsContact O-CE 3.26Å; I497-K502 WeakPolarHBondContact O-CE 3.13Å; P498-K502 PolarHBondContact O-N 2.93Å; E499-K502 WeakPolarHBondContact O-CB 3.49Å; E499-K502 PolarHBondContact O-N 3.35Å; E499-K502 VanDerWaalsContact O-N 3.11Å; E499-K502 IonicContact OE1-NZ 3.79Å; E499-K502 PolarHBondContact OE1-NZ 2.92Å; E499-K502 IonicContact OE2-NZ 2.68Å; K502-L505 PolarHBondContact O-N 2.95Å; K502-Y506 VanDerWaalsContact O-CB 3.24Å; K502-Y506 WeakPolarHBondContact O-CB 3.47Å; K502-Y506 PolarHBondContact O-N 3.48Å; K502-I521 HydrophobicContact CB-CD1 4.35Å; K502-I521 HydrophobicContact CB-CG2 4.18Å; K502-I521 HydrophobicContact CD-CD1 4.21Å; K502-I521 HydrophobicContact CD-CG1 4.13Å; K502-I521 HydrophobicContact CD-CG2 4.36Å; K502-I521 HydrophobicContact CG-CD1 3.97Å; K502-I521 HydrophobicContact CG-CG1 4.44Å
503E91Very high81.5Confident71 Ų7176 Ų7633%0.33235%0.349SS..Hα-helixtrans-64.3-45176.3-70.1178.2-171.700112.7E499 A501 L505 Y506 K507 L528E499-E503 PolarHBondContact O-N 2.9Å; A501-E503 VanDerWaalsContact C-N 3.27Å; A501-E503 PolarHBondContact O-N 3.18Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-Y506 PolarHBondContact O-N 3.25Å; E503-K507 WeakPolarHBondContact O-CG 3.41Å; E503-K507 PolarHBondContact O-N 2.93Å; E503-L528 HydrophobicContact CG-CD1 4.48Å
504V91.9Very high79.1Confident38 Ų3876.2 Ų76.223%0.2335%0.35CS..Hα-helixtrans-61-46.7176.3170.40000110.2R400 Y401 A404 W500 A501 K507 D508R400-V504 HydrophobicContact CB-CG2 4.46Å; Y401-V504 HydrophobicContact CD2-CG1 4.3Å; A404-V504 HydrophobicContact CB-CB 4.16Å; A404-V504 HydrophobicContact CB-CG1 3.99Å; W500-V504 HydrophobicContact CE3-CG2 4.36Å; W500-V504 WeakPolarHBondContact O-CG2 3.37Å; W500-V504 PolarHBondContact O-N 2.91Å; W500-V504 VanDerWaalsContact O-N 3.17Å; A501-V504 PolarHBondContact O-N 3.35Å; V504-K507 PolarHBondContact O-N 3.14Å; V504-D508 PolarHBondContact O-N 3.23Å
505L90.5Very high76.7Confident2 Ų276.2 Ų76.21%0.0136%0.358CS..Hα-helixtrans-60.5-51.8177.3-69.4173000110.7A404 R405 E408 I497 A501 K502 E503 K507 D508 H511A404-L505 HydrophobicContact CB-CD2 4.18Å; A404-L505 HydrophobicContact CB-CG 4.09Å; R405-L505 HydrophobicContact CG-CD2 4.12Å; E408-L505 HydrophobicContact CB-CD1 4.13Å; I497-L505 HydrophobicContact CG2-CD1 4.41Å; A501-L505 WeakPolarHBondContact O-CB 3.31Å; A501-L505 WeakPolarHBondContact O-CG 3.43Å; A501-L505 PolarHBondContact O-N 3.25Å; K502-L505 PolarHBondContact O-N 2.95Å; E503-L505 VanDerWaalsContact C-N 3.34Å; L505-K507 VanDerWaalsContact C-N 3.26Å; L505-K507 PolarHBondContact O-N 2.86Å; L505-D508 WeakPolarHBondContact O-CB 3.45Å; L505-D508 PolarHBondContact O-N 3.17Å; L505-H511 VanDerWaalsContact C-NE2 3.27Å; L505-H511 PolarHBondContact O-CE1 3.49Å; L505-H511 PolarHBondContact O-NE2 2.91Å
506Y85.5Confident74.4Confident92 Ų9275.2 Ų75.236%0.36137%0.366SS..Hα-helixtrans-55.5-39.4-178.4-179.2-97.9000112.9K502 E503 D508 V525K502-Y506 VanDerWaalsContact O-CB 3.24Å; K502-Y506 WeakPolarHBondContact O-CB 3.47Å; K502-Y506 PolarHBondContact O-N 3.48Å; E503-Y506 PolarHBondContact O-N 3.25Å; Y506-D508 VanDerWaalsContact C-N 3.28Å; Y506-D508 PolarHBondContact O-N 3.09Å; Y506-V525 HydrophobicContact CD1-CG1 3.89Å; Y506-V525 HydrophobicContact CD2-CG1 4.42Å; Y506-V525 HydrophobicContact CE1-CG1 4.07Å; Y506-V525 HydrophobicContact CG-CG1 4.07Å; Y506-V525 HydrophobicContact CG-CG2 4.46Å
507K83.7Confident72.2Confident165 Ų16572.7 Ų72.772%0.71735%0.345SS*.Hα-helixtrans-67-25.2177.9-73.1174.6-178.2173.80113.6E503 V504 L505 K509E503-K507 WeakPolarHBondContact O-CG 3.41Å; E503-K507 PolarHBondContact O-N 2.93Å; V504-K507 PolarHBondContact O-N 3.14Å; L505-K507 VanDerWaalsContact C-N 3.26Å; L505-K507 PolarHBondContact O-N 2.86Å; K507-K509 VanDerWaalsContact C-N 3.34Å; K507-K509 PolarHBondContact O-N 3.29Å
508D78.1Confident69.8Low42 Ų4275.7 Ų75.723%0.22536%0.36CS..THydrogen-bonded Turntrans-77.6-10.5-169.2-156.653.3000114.4Y401 R471 V504 L505 Y506 S510Y401-D508 HydrophobicContact CE2-CB 4.29Å; Y401-D508 WeakPolarHBondContact CE2-OD2 3.42Å; Y401-D508 PolarHBondContact OH-OD2 2.63Å; R471-D508 IonicContact NH1-OD1 2.74Å; R471-D508 PolarHBondContact NH1-OD1 2.93Å; V504-D508 PolarHBondContact O-N 3.23Å; L505-D508 WeakPolarHBondContact O-CB 3.45Å; L505-D508 PolarHBondContact O-N 3.17Å; Y506-D508 VanDerWaalsContact C-N 3.28Å; Y506-D508 PolarHBondContact O-N 3.09Å; D508-S510 WeakPolarHBondContact O-CB 3.39Å; D508-S510 PolarHBondContact O-N 2.73Å; D508-S510 PolarHBondContact O-OG 2.97Å; D508-S510 PolarHBondContact OD2-OG 2.9Å
509K62.3Low67.6Low195 Ų19584.6 Ų84.685%0.84839%0.392SS*.  trans48.8-4.6-179.5-65.5-171-178.5-178.10117.4K507 H511K507-K509 VanDerWaalsContact C-N 3.34Å; K507-K509 PolarHBondContact O-N 3.29Å; K509-H511 PolarHBondContact O-N 3.12Å
510S53.6Low65.6Low54 Ų5486.9 Ų86.938%0.37841%0.407SS..  trans-95.636.5-170.868.50000112.4D508 R512D508-S510 WeakPolarHBondContact O-CB 3.39Å; D508-S510 PolarHBondContact O-N 2.73Å; D508-S510 PolarHBondContact O-OG 2.97Å; D508-S510 PolarHBondContact OD2-OG 2.9Å; S510-R512 PolarHBondContact O-N 2.81Å
511H49.1Very low63.6Low47 Ų4786.1 Ų86.122%0.21841%0.405CS..  trans-78.8114.8-172.1-74.7-61.3000112.7E408 L505 K509 T514E408-H511 IonicContact OE1-ND1 3.7Å; L505-H511 VanDerWaalsContact C-NE2 3.27Å; L505-H511 PolarHBondContact O-CE1 3.49Å; L505-H511 PolarHBondContact O-NE2 2.91Å; K509-H511 PolarHBondContact O-N 3.12Å; H511-T514 HydrophobicContact CB-CG2 4.21Å
512R49.9Very low61.6Low202 Ų20290.9 Ų90.976%0.76243%0.427SS*.SBendtrans-85.7-4.3169.7-83.8-167.9-159.5-178.67.4114.9S510S510-R512 PolarHBondContact O-N 2.81Å
513Y40.8Very low59.8Low172 Ų17293.4 Ų93.468%0.67545%0.447SS*.SBendtrans-138.556.9-174.8-80.3-77.7000114.6
514T44.4Very low58.3Low19 Ų1991.2 Ų91.212%0.11744%0.44CS..  trans-151.854.9179.6610000116.6H511 F517 L518H511-T514 HydrophobicContact CB-CG2 4.21Å; T514-F517 HydrophobicContact CG2-CB 3.71Å; T514-F517 HydrophobicContact CG2-CD1 3.29Å; T514-F517 HydrophobicContact CG2-CE1 4.15Å; T514-F517 HydrophobicContact CG2-CG 3.87Å; T514-L518 HydrophobicContact CG2-CG 4.27Å; T514-L518 WeakPolarHBondContact OG1-CD1 3.44Å; T514-L518 WeakPolarHBondContact OG1-CG 3.42Å
515N42Very low56.7Low169 Ų16989.7 Ų89.790%0.90443%0.43SS*.SBendtrans-71.9-26149.3-85.2-8.9000111.2
516G45.3Very low55.2Low49 Ų4992.8 Ų92.851%0.50545%0.447SS..SBendtrans-95.3-48.3175.100000114.5L518 R519G516-L518 PolarHBondContact O-N 2.91Å; G516-R519 WeakPolarHBondContact O-CB 3.37Å; G516-R519 PolarHBondContact O-N 3.37Å
517F45.9Very low54Low50 Ų5095.3 Ų95.322%0.21946%0.459CS..Hα-helixtrans-79.7-16.1-165169.7-72.1000115.3I497 T514 R519 D520 I521I497-F517 HydrophobicContact CD1-CE2 3.35Å; I497-F517 HydrophobicContact CD1-CZ 3.33Å; T514-F517 HydrophobicContact CG2-CB 3.71Å; T514-F517 HydrophobicContact CG2-CD1 3.29Å; T514-F517 HydrophobicContact CG2-CE1 4.15Å; T514-F517 HydrophobicContact CG2-CG 3.87Å; F517-R519 VanDerWaalsContact C-N 3.34Å; F517-D520 PolarHBondContact O-N 2.86Å; F517-I521 HydrophobicContact CD1-CD1 3.52Å; F517-I521 HydrophobicContact CD1-CG1 4.32Å; F517-I521 HydrophobicContact CE1-CD1 3.07Å; F517-I521 HydrophobicContact CE1-CG1 4.27Å; F517-I521 HydrophobicContact CE2-CD1 4.27Å; F517-I521 HydrophobicContact CG-CD1 4.35Å; F517-I521 HydrophobicContact CZ-CD1 3.51Å; F517-I521 PolarHBondContact O-N 3.17Å
518L44.1Very low52.6Low71 Ų7190 Ų9037%0.37244%0.438SS..Hα-helixtrans-66.3-37.4167.7-88.9166.7000111.2T514 G516 D520 I521 E522T514-L518 HydrophobicContact CG2-CG 4.27Å; T514-L518 WeakPolarHBondContact OG1-CD1 3.44Å; T514-L518 WeakPolarHBondContact OG1-CG 3.42Å; G516-L518 PolarHBondContact O-N 2.91Å; L518-D520 PolarHBondContact O-N 2.88Å; L518-I521 PolarHBondContact O-N 3.36Å; L518-E522 WeakPolarHBondContact O-CB 3.44Å; L518-E522 PolarHBondContact O-N 3.22Å
519R47.1Very low51.5Low201 Ų20192.3 Ų92.376%0.75845%0.451SS*.Hα-helixtrans-63.1-28.6179-70.7-175.4177.9-177.10112.7G516 F517 P523G516-R519 WeakPolarHBondContact O-CB 3.37Å; G516-R519 PolarHBondContact O-N 3.37Å; F517-R519 VanDerWaalsContact C-N 3.34Å; R519-P523 WeakPolarHBondContact O-CD 3.38Å
520D51.3Low51.1Low126 Ų12690.1 Ų90.167%0.67444%0.441SS*.Hα-helixtrans-83.4-25.8179.8-67-26.1000113.3F517 L518F517-D520 PolarHBondContact O-N 2.86Å; L518-D520 PolarHBondContact O-N 2.88Å
521I50.9Low51.1Low11 Ų1193.9 Ų93.96%0.05645%0.451CS..Hα-helixtrans-99.1-34.8-174.4-66.3-176.4000112.6K502 F517 L518 P523 S524 V525K502-I521 HydrophobicContact CB-CD1 4.35Å; K502-I521 HydrophobicContact CB-CG2 4.18Å; K502-I521 HydrophobicContact CD-CD1 4.21Å; K502-I521 HydrophobicContact CD-CG1 4.13Å; K502-I521 HydrophobicContact CD-CG2 4.36Å; K502-I521 HydrophobicContact CG-CD1 3.97Å; K502-I521 HydrophobicContact CG-CG1 4.44Å; F517-I521 HydrophobicContact CD1-CD1 3.52Å; F517-I521 HydrophobicContact CD1-CG1 4.32Å; F517-I521 HydrophobicContact CE1-CD1 3.07Å; F517-I521 HydrophobicContact CE1-CG1 4.27Å; F517-I521 HydrophobicContact CE2-CD1 4.27Å; F517-I521 HydrophobicContact CG-CD1 4.35Å; F517-I521 HydrophobicContact CZ-CD1 3.51Å; F517-I521 PolarHBondContact O-N 3.17Å; L518-I521 PolarHBondContact O-N 3.36Å; I521-P523 VanDerWaalsContact C-N 3.26Å; I521-P523 VanDerWaalsContact O-N 3.16Å; I521-S524 PolarHBondContact O-N 2.89Å; I521-S524 PolarHBondContact O-OG 3.37Å; I521-V525 HydrophobicContact CG2-CB 4.45Å; I521-V525 HydrophobicContact CG2-CG2 3.41Å; I521-V525 VanDerWaalsContact CG2-CG2 3.41Å; I521-V525 PolarHBondContact O-N 3.06Å
522E54.3Low51.1Low100 Ų10094.1 Ų94.147%0.46746%0.458SS..Hα-helixtrans-51.5-40-178.3-156.7176.2-163.500112.8L518 N526L518-E522 WeakPolarHBondContact O-CB 3.44Å; L518-E522 PolarHBondContact O-N 3.22Å; E522-N526 WeakPolarHBondContact O-CB 3.32Å; E522-N526 VanDerWaalsContact O-CG 3.29Å; E522-N526 PolarHBondContact O-N 2.87Å; E522-N526 PolarHBondContact O-ND2 3.04Å; E522-N526 VanDerWaalsContact O-ND2 3.1Å
523P55.2Low50.9Low85 Ų8587 Ų8755%0.55244%0.442SS*.Hα-helixtrans-65.9-37.2173.5-19.733000113.7R519 I521 K527R519-P523 WeakPolarHBondContact O-CD 3.38Å; I521-P523 VanDerWaalsContact C-N 3.26Å; I521-P523 VanDerWaalsContact O-N 3.16Å; P523-K527 VanDerWaalsContact O-CB 3.32Å; P523-K527 WeakPolarHBondContact O-CB 3.34Å; P523-K527 PolarHBondContact O-N 3.47Å
524S58.8Low50.9Low26 Ų2684.1 Ų84.118%0.18244%0.438CS..Hα-helixtrans-74.6-42.8-177.783.40000111.8E499 I521 K527 L528E499-S524 PolarHBondContact OE2-OG 3.41Å; I521-S524 PolarHBondContact O-N 2.89Å; I521-S524 PolarHBondContact O-OG 3.37Å; S524-K527 WeakPolarHBondContact O-CB 3.27Å; S524-K527 PolarHBondContact O-N 2.84Å; S524-L528 PolarHBondContact O-N 3.44Å; S524-L528 VanDerWaalsContact O-N 3.08Å
525V57.9Low51Low5 Ų587.6 Ų87.63%0.0346%0.459CS..Hα-helixtrans-68.2-42.8177.5174.80000111.2Y506 I521 K527 L528 L529Y506-V525 HydrophobicContact CD1-CG1 3.89Å; Y506-V525 HydrophobicContact CD2-CG1 4.42Å; Y506-V525 HydrophobicContact CE1-CG1 4.07Å; Y506-V525 HydrophobicContact CG-CG1 4.07Å; Y506-V525 HydrophobicContact CG-CG2 4.46Å; I521-V525 HydrophobicContact CG2-CB 4.45Å; I521-V525 HydrophobicContact CG2-CG2 3.41Å; I521-V525 VanDerWaalsContact CG2-CG2 3.41Å; I521-V525 PolarHBondContact O-N 3.06Å; V525-K527 PolarHBondContact O-N 2.87Å; V525-L528 WeakPolarHBondContact O-CB 3.34Å; V525-L528 PolarHBondContact O-N 3.11Å; V525-L528 VanDerWaalsContact O-N 3.08Å; V525-L529 HydrophobicContact CG1-CD1 4.04Å; V525-L529 HydrophobicContact CG1-CG 4.32Å; V525-L529 PolarHBondContact O-N 3.43Å
526N58.8Low50.9Low68 Ų6884.4 Ų84.436%0.36444%0.442SS..Hα-helixtrans-63.2-32.3175.1-78.8-34.1000112.4E522 L528 K530E522-N526 WeakPolarHBondContact O-CB 3.32Å; E522-N526 VanDerWaalsContact O-CG 3.29Å; E522-N526 PolarHBondContact O-N 2.87Å; E522-N526 PolarHBondContact O-ND2 3.04Å; E522-N526 VanDerWaalsContact O-ND2 3.1Å; N526-L528 VanDerWaalsContact C-N 3.35Å; N526-K530 WeakPolarHBondContact O-CB 3.42Å; N526-K530 VanDerWaalsContact O-CG 3.26Å; N526-K530 WeakPolarHBondContact O-CG 3.46Å; N526-K530 PolarHBondContact O-N 3.17Å
527K59.7Low50.8Low144 Ų14485.1 Ų85.163%0.62644%0.439SS*.Hα-helixtrans-68.9-33.9174.1-162.3174-173.7176.60111.8P523 S524 V525 K531P523-K527 VanDerWaalsContact O-CB 3.32Å; P523-K527 WeakPolarHBondContact O-CB 3.34Å; P523-K527 PolarHBondContact O-N 3.47Å; S524-K527 WeakPolarHBondContact O-CB 3.27Å; S524-K527 PolarHBondContact O-N 2.84Å; V525-K527 PolarHBondContact O-N 2.87Å; K527-K531 WeakPolarHBondContact O-CG 3.46Å; K527-K531 PolarHBondContact O-N 3.19Å; K527-K531 VanDerWaalsContact O-N 3.07Å
528L54.3Low50.5Low53 Ų5387.5 Ų87.528%0.27746%0.458SS..Hα-helixtrans-73.3-47.3175.2-79.3158.1000112.5E499 E503 S524 V525 N526 K530 K531 S532E499-L528 HydrophobicContact CB-CD1 4.39Å; E503-L528 HydrophobicContact CG-CD1 4.48Å; S524-L528 PolarHBondContact O-N 3.44Å; S524-L528 VanDerWaalsContact O-N 3.08Å; V525-L528 WeakPolarHBondContact O-CB 3.34Å; V525-L528 PolarHBondContact O-N 3.11Å; V525-L528 VanDerWaalsContact O-N 3.08Å; N526-L528 VanDerWaalsContact C-N 3.35Å; L528-K530 PolarHBondContact O-N 3.46Å; L528-K531 CarbonylContact O-C 3.55Å; L528-K531 WeakPolarHBondContact O-CA 3.1Å; L528-K531 WeakPolarHBondContact O-CB 3.42Å; L528-K531 PolarHBondContact O-N 3.12Å; L528-S532 PolarHBondContact O-N 2.88Å
529L55.9Low50.3Low92 Ų9288.2 Ų88.248%0.48247%0.469SS..Hα-helixtrans-60.8-35175.5-69.6173.3000111.8V525 S532 A533V525-L529 HydrophobicContact CG1-CD1 4.04Å; V525-L529 HydrophobicContact CG1-CG 4.32Å; V525-L529 PolarHBondContact O-N 3.43Å; L529-S532 PolarHBondContact O-OG 3.17Å; L529-S532 VanDerWaalsContact O-OG 3.06Å; L529-A533 VanDerWaalsContact O-CB 3.26Å; L529-A533 WeakPolarHBondContact O-CB 3.25Å; L529-A533 PolarHBondContact O-N 2.79Å
530K53.9Low49.6Very low148 Ų14885.8 Ų85.864%0.64347%0.471SS*.Hα-helixtrans-67.6-39.6170.5-76.8178.4-179.6-178.20112.4N526 L528 L534N526-K530 WeakPolarHBondContact O-CB 3.42Å; N526-K530 VanDerWaalsContact O-CG 3.26Å; N526-K530 WeakPolarHBondContact O-CG 3.46Å; N526-K530 PolarHBondContact O-N 3.17Å; L528-K530 PolarHBondContact O-N 3.46Å; K530-L534 VanDerWaalsContact O-CB 3.31Å; K530-L534 WeakPolarHBondContact O-CB 3.39Å; K530-L534 WeakPolarHBondContact O-CD1 3.22Å; K530-L534 WeakPolarHBondContact O-CG 3.37Å; K530-L534 PolarHBondContact O-N 2.7Å
531K53.5Low48.5Very low133 Ų13383.7 Ų83.758%0.57847%0.466SS*.Hα-helixtrans-65.5-42.4175.7-86.1-176.6175-1750112.3K527 L528 L534 T535K527-K531 WeakPolarHBondContact O-CG 3.46Å; K527-K531 PolarHBondContact O-N 3.19Å; K527-K531 VanDerWaalsContact O-N 3.07Å; L528-K531 CarbonylContact O-C 3.55Å; L528-K531 WeakPolarHBondContact O-CA 3.1Å; L528-K531 WeakPolarHBondContact O-CB 3.42Å; L528-K531 PolarHBondContact O-N 3.12Å; K531-L534 PolarHBondContact O-N 2.6Å; K531-T535 PolarHBondContact O-N 3.03Å; K531-T535 PolarHBondContact O-OG1 3.21Å
532S49.5Very low47.6Very low52 Ų5289.5 Ų89.536%0.36450%0.502SS..Hα-helixtrans-66.8-41.5176.967.90000111.4L528 L529 L534 T535 D536L528-S532 PolarHBondContact O-N 2.88Å; L529-S532 PolarHBondContact O-OG 3.17Å; L529-S532 VanDerWaalsContact O-OG 3.06Å; S532-L534 VanDerWaalsContact C-N 3.31Å; S532-L534 PolarHBondContact O-N 2.66Å; S532-T535 WeakPolarHBondContact CA-OG1 3.17Å; S532-T535 PolarHBondContact O-N 3.37Å; S532-T535 PolarHBondContact O-OG1 3.17Å; S532-D536 VanDerWaalsContact O-CG 3.29Å; S532-D536 PolarHBondContact O-N 3.23Å
533A45.4Very low46.3Very low53 Ų5389.7 Ų89.744%0.43852%0.515SS..Hα-helixtrans-65-33.217400000112.7L529 S537L529-A533 VanDerWaalsContact O-CB 3.26Å; L529-A533 WeakPolarHBondContact O-CB 3.25Å; L529-A533 PolarHBondContact O-N 2.79Å; A533-S537 WeakPolarHBondContact O-CB 3.3Å; A533-S537 PolarHBondContact O-N 2.91Å; A533-S537 PolarHBondContact O-OG 3.46Å
534L41.3Very low45.1Very low111 Ų11192.8 Ų92.858%0.58153%0.526SS*.Hα-helixtrans-69.1-38.6173.2-87.1156.1000112K530 K531 S532 S537 V538K530-L534 VanDerWaalsContact O-CB 3.31Å; K530-L534 WeakPolarHBondContact O-CB 3.39Å; K530-L534 WeakPolarHBondContact O-CD1 3.22Å; K530-L534 WeakPolarHBondContact O-CG 3.37Å; K530-L534 PolarHBondContact O-N 2.7Å; K531-L534 PolarHBondContact O-N 2.6Å; S532-L534 VanDerWaalsContact C-N 3.31Å; S532-L534 PolarHBondContact O-N 2.66Å; L534-S537 WeakPolarHBondContact CA-OG 3.32Å; L534-S537 PolarHBondContact O-OG 3.19Å; L534-S537 VanDerWaalsContact O-OG 3.11Å; L534-V538 VanDerWaalsContact O-CG2 3.26Å; L534-V538 WeakPolarHBondContact O-CG2 3.36Å; L534-V538 PolarHBondContact O-N 3.05Å; L534-V538 VanDerWaalsContact O-N 3.16Å
535T46.2Very low43.7Very low93 Ų93102.3 Ų102.357%0.57156%0.558SS**Hα-helixtrans-68.7-36.5173.7460000112.3K531 S532 S539K531-T535 PolarHBondContact O-N 3.03Å; K531-T535 PolarHBondContact O-OG1 3.21Å; S532-T535 WeakPolarHBondContact CA-OG1 3.17Å; S532-T535 PolarHBondContact O-N 3.37Å; S532-T535 PolarHBondContact O-OG1 3.17Å; T535-S539 PolarHBondContact O-N 3.04Å
536D40.6Very low42.3Very low101 Ų101112.4 Ų112.454%0.5460%0.601SS.*Hα-helixtrans-72.1-37.8178.2-67.9-18.3000111.9S532 S539S532-D536 VanDerWaalsContact O-CG 3.29Å; S532-D536 PolarHBondContact O-N 3.23Å; D536-S539 PolarHBondContact O-N 2.83Å; D536-S539 PolarHBondContact O-OG 3.29Å
537S41.3Very low40.8Very low64 Ų64119.8 Ų119.845%0.44862%0.624SS.*Hα-helixtrans-69.6-30.517655.80000113.6A533 L534 S539 N540A533-S537 WeakPolarHBondContact O-CB 3.3Å; A533-S537 PolarHBondContact O-N 2.91Å; A533-S537 PolarHBondContact O-OG 3.46Å; L534-S537 WeakPolarHBondContact CA-OG 3.32Å; L534-S537 PolarHBondContact O-OG 3.19Å; L534-S537 VanDerWaalsContact O-OG 3.11Å; S537-S539 VanDerWaalsContact C-N 3.32Å; S537-N540 PolarHBondContact O-N 2.93Å
538V41.3Very low39.2Very low101 Ų101119.3 Ų119.361%0.61264%0.637SS**Hα-helixtrans-70.8-28.9173174.60000111.7L534 N540L534-V538 VanDerWaalsContact O-CG2 3.26Å; L534-V538 WeakPolarHBondContact O-CG2 3.36Å; L534-V538 PolarHBondContact O-N 3.05Å; L534-V538 VanDerWaalsContact O-N 3.16Å; V538-N540 VanDerWaalsContact C-N 3.29Å; V538-N540 PolarHBondContact O-N 3.12Å
539S38.2Very low38Very low86 Ų86123.3 Ų123.360%0.60166%0.658SS**Hα-helixtrans-71.2-21.8176.374.70000114.1T535 D536 S537T535-S539 PolarHBondContact O-N 3.04Å; D536-S539 PolarHBondContact O-N 2.83Å; D536-S539 PolarHBondContact O-OG 3.29Å; S537-S539 VanDerWaalsContact C-N 3.32Å
540N32.8Very low36.6Very low149 Ų149128.6 Ų128.680%0.79768%0.677SS**THydrogen-bonded Turntrans-103.73.4-175.8-82.2-22.6000115.4S537 V538S537-N540 PolarHBondContact O-N 2.93Å; V538-N540 VanDerWaalsContact C-N 3.29Å; V538-N540 PolarHBondContact O-N 3.12Å
541S29.6Very low35.4Very low83 Ų83132.2 Ų132.258%0.5869%0.687SS**SBendtrans-133.384.4173.674.60000112.1
542T31Very low34.2Very low133 Ų133133 Ų13382%0.81670%0.698SS**  trans-174.381142.6160000110.1
543S28.2Very low33.2Very low104 Ų104136.2 Ų136.273%0.72772%0.715SS**  trans-71.2151.3142.769.30000108.1
544L28.8Very low32.3Very low150 Ų150140.6 Ų140.679%0.78573%0.731SS**  trans92.6114.1167.7-69.1147.7000119.2
545R29.2Very low31.6Very low226 Ų226144.7 Ų144.785%0.85375%0.747SS**  trans96.785.4149.5-67.7179.6175.5-173.2-1.1117.3R547R545-R547 PolarHBondContact O-N 2.7Å
546K29.1Very low30.7Very low217 Ų217150.3 Ų150.394%0.94376%0.764SS**  trans-36.1105.8143.3-73.8177.7175.7176.90110.7
547R27.1Very low30.1Very low222 Ų222151.1 Ų151.184%0.83878%0.776SS**  trans-126.898.2154-115.6179.7179.8178.1-0.7107.3R545 L549R545-R547 PolarHBondContact O-N 2.7Å; R547-L549 PolarHBondContact O-N 3.13Å
548C25.8Very low29.4Very low134 Ų134151.5 Ų151.591%0.90579%0.79SS**  trans-57.1105.9163.8-86.80000108.1
549L29.4Very low28.7Very low138 Ų138153.1 Ų153.172%0.72379%0.794SS**  trans-114.297.7161.8-85.4160.8000107R547 R551R547-L549 PolarHBondContact O-N 3.13Å; L549-R551 PolarHBondContact O-N 3.47Å
550K26.2Very low28Very low203 Ų203156.2 Ų156.288%0.88380%0.804SS**  trans-53.4122.5155.4-77.3177.3170.8-179.20107.7
551R28.9Very low27.8Very low224 Ų224155 Ų15585%0.84580%0.802SS**  trans-145.8101.5153.3-79.8-163.5178.1162.8-1.6109.6L549L549-R551 PolarHBondContact O-N 3.47Å
552D28.7Very low27.5Very low150 Ų150158.9 Ų158.980%0.80281%0.811SS**  trans33.9119.7136.1-57.5-30.4000120.4
553T29.1Very low27.5Very low119 Ų119166.2 Ų166.273%0.7383%0.832SS**  trans-31.8124.814850.90000115
554N25.5Very low27.4Very low145 Ų145169.3 Ų169.378%0.77584%0.837SS**  155.9115.1128.5-86.9-30.6000108.3
555E27.7Very low27.4Very low197 Ų197170.3 Ų170.392%0.92184%0.839SS**  trans-165.3109.1134-108.8165.1-164.500109.9C557E555-C557 PolarHBondContact O-N 2.81Å
556K26.9Very low27.3Very low210 Ų210167.2 Ų167.291%0.91384%0.839SS**  trans-66.5110.3170.6-68.1173175.3177.20107.8
557C27Very low27.1Very low118 Ų118164.3 Ų164.380%0.79783%0.833SS**  trans-99.483.1165-146.60000108.4E555E555-C557 PolarHBondContact O-N 2.81Å
558G26.7Very low27.1Very low72 Ų72160.7 Ų160.774%0.74283%0.832SS**  trans-83.3114.816800000108.9
559I27Very low27.2Very low135 Ų135162.5 Ų162.569%0.69283%0.827SS**  trans-112.994.9167.7-63.4177.4000106.1T561I559-T561 HydrophobicContact CG2-CG2 4.04Å
560N24.1Very low27.1Very low151 Ų151164.2 Ų164.281%0.80784%0.835SS**  trans-74.6111.1163.9-92.5-22.1000107.8
561T28.9Very low27.1Very low124 Ų124161.2 Ų161.276%0.76183%0.831SS**  trans-112.494.8162.443.90000108.1I559 F563I559-T561 HydrophobicContact CG2-CG2 4.04Å; T561-F563 PolarHBondContact O-N 3.27Å
562H22Very low27Very low165 Ų165156 Ų15676%0.76483%0.83SS**  trans-69.8115.5155.5-82.4-80.2000107.6
563F30.6Very low26.9Very low286 Ų286156.5 Ų156.5100%1.25483%0.832SS**  trans177.90130.4-93.2-66.2000109T561T561-F563 PolarHBondContact O-N 3.27Å

Retrieved 563 of 563 residues in 359.8 ms (Link to these results)

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