A0A093HIR4_STRCA Loading...

Eukaryotic translation initiation factor 5

Component of the 43S pre-initiation complex (43S PIC), which binds to the mRNA cap-proximal region, scans mRNA 5'-untranslated region, and locates the initiation codon. In this complex, acts as a GTPase-activating protein, by promoting GTP hydrolysis by eIF2G (EIF2S3). During scanning, interacts with both EIF1 (via its C-terminal domain (CTD)) and EIF1A (via its NTD). This interaction with EIF1A contributes to the maintenance of EIF1 within the open 43S PIC. When start codon is recognized, EIF5, via its NTD, induces eIF2G (EIF2S3) to hydrolyze the GTP. Start codon recognition also induces a conformational change of the PIC to a closed state. This change increases the affinity of EIF5-CTD for EIF2-beta (EIF2S2), which allows the release, by an indirect mechanism, of EIF1 from the PIC. Finally, EIF5 stabilizes the PIC in its closed conformation.

AlphaFold DB , UniProt , Accession A0A093HIR4, Species STRCA (Struthio camelus australis), Gene n/a, Length 430 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
1M63.5Low72.6Confident190 Ų19074 Ų7494%0.93641%0.412SS*.  0120.90-65.4179.2-152.200108.2
2S73.8Confident72.3Confident72 Ų7280.8 Ų80.850%0.50344%0.438SS..EExtended strand (participates in β ladder)trans-86.5149.4170.443.50000109.9M18S2-M18 CarbonylContact C-O 3.58Å; S2-M18 WeakPolarHBondContact CA-O 3.34Å
3V80.3Confident72.2Confident36 Ų3688.2 Ų88.222%0.21847%0.465CS..EExtended strand (participates in β ladder)trans-121148.2177.4176.70000107.8K17 M18 R20V3-K17 CarbonylContact O-C 3.57Å; V3-K17 WeakPolarHBondContact O-CA 3.46Å; V3-M18 PolarHBondContact N-O 2.82Å; V3-M18 PolarHBondContact O-N 2.99Å; V3-M18 VanDerWaalsContact O-O 3.11Å; V3-R20 HydrophobicContact CB-CG 4.42Å; V3-R20 HydrophobicContact CG2-CG 3.32Å
4N82.1Confident72.6Confident24 Ų2484.1 Ų84.113%0.12844%0.44CS..EExtended strand (participates in β ladder)trans-65.6138.7176.8-66.7-5.1000109.6N6 V9 D11 Y14N4-N6 PolarHBondContact O-N 2.84Å; N4-V9 PolarHBondContact ND2-O 2.69Å; N4-D11 PolarHBondContact ND2-O 3.18Å; N4-Y14 HydrophobicContact CB-CD1 3.78Å; N4-Y14 HydrophobicContact CB-CE1 4.42Å
5V77.4Confident73Confident4 Ų492.1 Ų92.12%0.02446%0.462CS..SBendtrans-62.8-37.3179.4172.10000110.8Y16 M18 L46 I93 P105V5-Y16 WeakPolarHBondContact CG2-O 3.27Å; V5-Y16 PolarHBondContact N-O 3.08Å; V5-M18 HydrophobicContact CG2-CB 4Å; V5-M18 HydrophobicContact CG2-CG 4.11Å; V5-L46 HydrophobicContact CG1-CD2 3.74Å; V5-L46 HydrophobicContact CG2-CD2 4.46Å; V5-I93 HydrophobicContact CG1-CD1 4.44Å; V5-I93 HydrophobicContact CG1-CG2 3.93Å; V5-P105 HydrophobicContact CG1-CB 3.77Å; V5-P105 HydrophobicContact CG1-CG 4.21Å
6N73.4Confident73.6Confident6 Ų689.4 Ų89.43%0.03245%0.445CS..SBendtrans-99.6114.1168.2-165.7-6.2000109.7N4 S8 V9N4-N6 PolarHBondContact O-N 2.84Å; N6-S8 PolarHBondContact ND2-OG 3.35Å; N6-S8 PolarHBondContact O-N 3.23Å; N6-S8 PolarHBondContact OD1-N 3.01Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.27Å; N6-V9 HydrophobicContact CB-CG2 4.26Å; N6-V9 PolarHBondContact O-N 2.9Å
7R69.4Low74Confident155 Ų15589.5 Ų89.559%0.58544%0.442SS*.THydrogen-bonded Turntrans-73.3-14.3179.3-171.6169.2159.5-167.6-5.3113V9 D87 D90R7-V9 VanDerWaalsContact C-N 3.26Å; R7-D87 IonicContact CZ-OD1 3.46Å; R7-D87 IonicContact NH1-OD1 3.99Å; R7-D87 PolarHBondContact NH1-OD1 3.43Å; R7-D87 IonicContact NH2-OD1 3.2Å; R7-D90 WeakPolarHBondContact CD-OD2 3.41Å; R7-D90 IonicContact CZ-OD2 3.85Å; R7-D90 IonicContact NE-OD2 3.33Å; R7-D90 IonicContact NH1-OD2 3.82Å; R7-D90 PolarHBondContact NH1-OD2 2.81Å
8S68.4Low74.6Confident83 Ų8385.1 Ų85.158%0.5842%0.42SS*.THydrogen-bonded Turntrans-71.4-24.1170.165.70000112.4N6N6-S8 PolarHBondContact ND2-OG 3.35Å; N6-S8 PolarHBondContact O-N 3.23Å; N6-S8 PolarHBondContact OD1-N 3.01Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.27Å
9V71.8Confident75.2Confident46 Ų4682.8 Ų82.828%0.27941%0.412SS..  trans-95.9104.5178.4-1750000108.8N4 N6 R7 D11 Y14N4-V9 PolarHBondContact ND2-O 2.69Å; N6-V9 HydrophobicContact CB-CG2 4.26Å; N6-V9 PolarHBondContact O-N 2.9Å; R7-V9 VanDerWaalsContact C-N 3.26Å; V9-D11 VanDerWaalsContact C-N 3.29Å; V9-D11 HydrophobicContact CG1-CB 4.02Å; V9-D11 PolarHBondContact O-N 3.12Å; V9-Y14 HydrophobicContact CB-CD2 4.35Å; V9-Y14 HydrophobicContact CB-CE2 4.32Å; V9-Y14 HydrophobicContact CG1-CD2 3.64Å; V9-Y14 HydrophobicContact CG1-CE2 3.96Å; V9-Y14 HydrophobicContact CG1-CG 4.18Å; V9-Y14 HydrophobicContact CG2-CE2 4.43Å
10S63.7Low75.7Confident115 Ų11585.2 Ų85.280%0.80442%0.416SS*.  trans-84.63.1-179.556.90000114.1Q12S10-Q12 PolarHBondContact O-N 2.82Å
11D75.1Confident76.2Confident83 Ų8381.4 Ų81.444%0.44440%0.398SS..  trans-60.1122.4-177.7-177.64.8000112N4 V9 F13 Y14N4-D11 PolarHBondContact ND2-O 3.18Å; V9-D11 VanDerWaalsContact C-N 3.29Å; V9-D11 HydrophobicContact CG1-CB 4.02Å; V9-D11 PolarHBondContact O-N 3.12Å; D11-F13 PolarHBondContact O-N 3.15Å; D11-F13 PolarHBondContact OD1-N 2.82Å; D11-Y14 VanDerWaalsContact O-CB 3.26Å; D11-Y14 WeakPolarHBondContact O-CB 3.15Å; D11-Y14 PolarHBondContact O-N 3.25Å; D11-Y14 VanDerWaalsContact O-N 3.14Å
12Q68.6Low77.3Confident155 Ų15577.2 Ų77.272%0.72438%0.379SS*.THydrogen-bonded Turntrans-64-23.8179-169.9171.8-8.400112.4S10 K17S10-Q12 PolarHBondContact O-N 2.82Å; Q12-K17 PolarHBondContact O-NZ 3.03Å
13F71.8Confident78Confident178 Ų17875 Ų7578%0.78136%0.364SS*.THydrogen-bonded Turntrans-999.6177.2-67.8-79.5000114.1D11 R15D11-F13 PolarHBondContact O-N 3.15Å; D11-F13 PolarHBondContact OD1-N 2.82Å; F13-R15 PolarHBondContact O-N 3.23Å
14Y76.9Confident78.3Confident31 Ų3179.3 Ų79.312%0.12238%0.38CS..  trans-53.1128.6179.5-170.2-117.5000111.7N4 V9 D11 Y16 K17N4-Y14 HydrophobicContact CB-CD1 3.78Å; N4-Y14 HydrophobicContact CB-CE1 4.42Å; V9-Y14 HydrophobicContact CB-CD2 4.35Å; V9-Y14 HydrophobicContact CB-CE2 4.32Å; V9-Y14 HydrophobicContact CG1-CD2 3.64Å; V9-Y14 HydrophobicContact CG1-CE2 3.96Å; V9-Y14 HydrophobicContact CG1-CG 4.18Å; V9-Y14 HydrophobicContact CG2-CE2 4.43Å; D11-Y14 VanDerWaalsContact O-CB 3.26Å; D11-Y14 WeakPolarHBondContact O-CB 3.15Å; D11-Y14 PolarHBondContact O-N 3.25Å; D11-Y14 VanDerWaalsContact O-N 3.14Å; Y14-Y16 VanDerWaalsContact C-N 3.33Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.21Å; Y14-Y16 HydrophobicContact CE1-CD2 4.16Å; Y14-Y16 HydrophobicContact CE1-CG 4.41Å; Y14-Y16 VanDerWaalsContact CE1-O 3.24Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.22Å; Y14-Y16 HydrophobicContact CE2-CD2 4.4Å; Y14-Y16 AromaticContact CZ-CD2 3.83Å; Y14-Y16 PolarHBondContact O-N 3.25Å; Y14-K17 WeakPolarHBondContact O-CE 3.22Å; Y14-K17 WeakPolarHBondContact O-CG 3.47Å
15R78.9Confident78.6Confident204 Ų20481.8 Ų81.877%0.7740%0.396SS*.SBendtrans-64.3-36.2-172.4-176.8179.5177.198-1.8112.6F13 K17F13-R15 PolarHBondContact O-N 3.23Å; R15-K17 PolarHBondContact O-N 3.41Å
16Y81.9Confident79Confident49 Ų4983.9 Ų83.919%0.19241%0.406CS..  trans-97.698.1-174.3-53.8-69.4000111V5 Y14 P105 E106V5-Y16 WeakPolarHBondContact CG2-O 3.27Å; V5-Y16 PolarHBondContact N-O 3.08Å; Y14-Y16 VanDerWaalsContact C-N 3.33Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.21Å; Y14-Y16 HydrophobicContact CE1-CD2 4.16Å; Y14-Y16 HydrophobicContact CE1-CG 4.41Å; Y14-Y16 VanDerWaalsContact CE1-O 3.24Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.22Å; Y14-Y16 HydrophobicContact CE2-CD2 4.4Å; Y14-Y16 AromaticContact CZ-CD2 3.83Å; Y14-Y16 PolarHBondContact O-N 3.25Å; Y16-P105 HydrophobicContact CD1-CG 3.93Å; Y16-P105 HydrophobicContact CD2-CG 3.6Å; Y16-P105 HydrophobicContact CE1-CG 4.46Å; Y16-P105 HydrophobicContact CE2-CG 4.15Å; Y16-P105 HydrophobicContact CG-CG 3.46Å; Y16-P105 VanDerWaalsContact CG-CG 3.46Å; Y16-E106 HydrophobicContact CE1-CG 3.6Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.29Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.34Å; Y16-E106 PolarHBondContact OH-OE1 3.46Å
17K81.7Confident79.1Confident90 Ų9085.8 Ų85.839%0.39143%0.427SS..EExtended strand (participates in β ladder)trans-113.5140.1179.6-64-173.1-179.7-176.90110.9V3 Q12 Y14 R15V3-K17 CarbonylContact O-C 3.57Å; V3-K17 WeakPolarHBondContact O-CA 3.46Å; Q12-K17 PolarHBondContact O-NZ 3.03Å; Y14-K17 WeakPolarHBondContact O-CE 3.22Å; Y14-K17 WeakPolarHBondContact O-CG 3.47Å; R15-K17 PolarHBondContact O-N 3.41Å
18M84.9Confident79.4Confident10 Ų1088.2 Ų88.25%0.04944%0.442CS..EExtended strand (participates in β ladder)trans-118.5149.5171.862.4175.7179.300110.5S2 V3 V5 A45 L89 I93S2-M18 CarbonylContact C-O 3.58Å; S2-M18 WeakPolarHBondContact CA-O 3.34Å; V3-M18 PolarHBondContact N-O 2.82Å; V3-M18 PolarHBondContact O-N 2.99Å; V3-M18 VanDerWaalsContact O-O 3.11Å; V5-M18 HydrophobicContact CG2-CB 4Å; V5-M18 HydrophobicContact CG2-CG 4.11Å; M18-A45 HydrophobicContact CB-CB 4.09Å; M18-L89 HydrophobicContact CE-CD2 3.96Å; M18-L89 HydrophobicContact SD-CD2 3.83Å; M18-I93 HydrophobicContact CE-CD1 3.84Å; M18-I93 HydrophobicContact SD-CD1 3.86Å
19P86.1Confident79.9Confident42 Ų4286.7 Ų86.727%0.27344%0.439SS..EExtended strand (participates in β ladder)trans-71.4149.6172.731.7-34.8000110.5N38 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.34Å; P19-N38 WeakPolarHBondContact CG-ND2 3.47Å; P19-D41 HydrophobicContact CG-CB 3.91Å; P19-V42 HydrophobicContact CG-CG2 4Å
20R84.4Confident80.1Confident130 Ų13093.4 Ų93.449%0.49147%0.473SS..PPolyproline II helixtrans-60.5142.5175.4-72.8-171176.9-159.9-2.1111.3V3 I22 N38V3-R20 HydrophobicContact CB-CG 4.42Å; V3-R20 HydrophobicContact CG2-CG 3.32Å; R20-I22 PolarHBondContact O-N 3.24Å; R20-N38 PolarHBondContact O-ND2 2.83Å
21L86.4Confident80.8Confident7 Ų790.4 Ų90.44%0.03746%0.461CS..PPolyproline II helixtrans-71.7122.7177.5-170.9131.7000110.1A23 I36 F57 L85 Q86 L89L21-A23 HydrophobicContact CD2-CB 4.18Å; L21-I36 HydrophobicContact CD1-CG2 4.03Å; L21-I36 HydrophobicContact CD2-CG2 4.36Å; L21-I36 HydrophobicContact CG-CG2 4.02Å; L21-F57 HydrophobicContact CD1-CE2 4.21Å; L21-F57 HydrophobicContact CD1-CZ 4.19Å; L21-L85 HydrophobicContact CD2-CB 3.61Å; L21-L85 HydrophobicContact CD2-CD1 4.01Å; L21-L85 HydrophobicContact CD2-CG 4.45Å; L21-Q86 HydrophobicContact CB-CG 3.96Å; L21-Q86 PolarHBondContact O-NE2 3.34Å; L21-L89 HydrophobicContact CD1-CD1 4.49Å
22I86.8Confident81.3Confident102 Ų10289 Ų8952%0.52345%0.453SS..  trans-108112.3177.8-57.9170.6000107.8R20 V37 N38R20-I22 PolarHBondContact O-N 3.24Å; I22-V37 PolarHBondContact O-N 2.95Å; I22-V37 VanDerWaalsContact O-N 3.08Å; I22-N38 HydrophobicContact CB-CB 4.28Å
23A87.8Confident82.3Confident25 Ų2584.9 Ų84.921%0.20743%0.433CS..EExtended strand (participates in β ladder)trans-109.4132.8176.800000109.8L21 T34 A82 L85L21-A23 HydrophobicContact CD2-CB 4.18Å; A23-T34 HydrophobicContact CB-CG2 3.74Å; A23-A82 HydrophobicContact CB-CB 4.39Å; A23-L85 HydrophobicContact CB-CD1 3.66Å
24K88.1Confident83.1Confident126 Ų12676.4 Ų76.455%0.54840%0.395SS..EExtended strand (participates in β ladder)trans-115.4121.6175.5-172.6176.3-176.6178.40108.9E26 V35 V37K24-E26 PolarHBondContact O-N 2.7Å; K24-V35 PolarHBondContact N-O 2.8Å; K24-V35 PolarHBondContact O-N 3.41Å; K24-V37 HydrophobicContact CB-CG2 4.3Å
25V87.7Confident83.7Confident77 Ų7775.2 Ų75.247%0.46739%0.391SS..EExtended strand (participates in β ladder)trans-78.9118.7174.9-175.10000108.5I32V25-I32 HydrophobicContact CG1-CG2 3.36Å
26E84.5Confident84.2Confident47 Ų4765.5 Ų65.522%0.2235%0.354CS..EExtended strand (participates in β ladder)trans-109.4141.1172.3-68.5-171.8169.900109.4K24 K33 V35 R73K24-E26 PolarHBondContact O-N 2.7Å; E26-K33 HydrophobicContact CB-CD 4.49Å; E26-K33 HydrophobicContact CB-CG 4Å; E26-K33 PolarHBondContact N-O 3.21Å; E26-K33 WeakPolarHBondContact O-CG 3.45Å; E26-K33 PolarHBondContact O-N 3.36Å; E26-K33 VanDerWaalsContact OE2-CE 3.32Å; E26-K33 WeakPolarHBondContact OE2-CE 3.43Å; E26-K33 IonicContact OE2-NZ 2.67Å; E26-V35 HydrophobicContact CB-CG2 4.2Å; E26-V35 HydrophobicContact CG-CG2 3.85Å; E26-R73 IonicContact OE1-NH1 3.26Å; E26-R73 PolarHBondContact OE1-NH1 3.44Å; E26-R73 IonicContact OE2-NH1 2.74Å
27G76.9Confident84.4Confident47 Ų4767.7 Ų67.749%0.48537%0.373SS..  trans99.7157.1179.200000114.2
28K76Confident84.8Confident206 Ų20664.3 Ų64.390%0.89636%0.359SS*.SBendtrans-134.2138.1176.6-66.3-176.3178.4-177.20108.1
29G77.6Confident84.8Confident50 Ų5063.9 Ų63.952%0.51536%0.357SS..SBendtrans85.3-144.8179.600000114.3G31 I32G29-G31 PolarHBondContact O-N 3.24Å; G29-I32 WeakPolarHBondContact O-CD1 3.44Å; G29-I32 VanDerWaalsContact O-CG1 3.25Å; G29-I32 WeakPolarHBondContact O-CG1 3.42Å; G29-I32 PolarHBondContact O-N 3.45Å
30N75.8Confident84.9Confident187 Ų18764.3 Ų64.3100%136%0.358SS*.THydrogen-bonded Turntrans-70.11.2-174.2-68.8-2.8000115
31G78.5Confident85Confident53 Ų5362.4 Ų62.455%0.54636%0.358SS..THydrogen-bonded Turntrans-120.629.6-179.300000113.7G29 K33G29-G31 PolarHBondContact O-N 3.24Å; G31-K33 PolarHBondContact O-N 3.39Å
32I86.6Confident85.1Confident54 Ų5462.1 Ų62.128%0.27736%0.357SS..  trans-65.8129176.2-64.5157.1000109.2V25 G29 G78V25-I32 HydrophobicContact CG1-CG2 3.36Å; G29-I32 WeakPolarHBondContact O-CD1 3.44Å; G29-I32 VanDerWaalsContact O-CG1 3.25Å; G29-I32 WeakPolarHBondContact O-CG1 3.42Å; G29-I32 PolarHBondContact O-N 3.45Å; I32-G78 WeakPolarHBondContact O-CA 3.48Å; I32-G78 PolarHBondContact O-N 3.35Å
33K89.1Confident85.1Confident68 Ų6857.3 Ų57.330%0.29633%0.332SS..EExtended strand (participates in β ladder)trans-130.8140.3178.360179.2-176.4177.10109.4E26 G31 I75E26-K33 HydrophobicContact CB-CD 4.49Å; E26-K33 HydrophobicContact CB-CG 4Å; E26-K33 PolarHBondContact N-O 3.21Å; E26-K33 WeakPolarHBondContact O-CG 3.45Å; E26-K33 PolarHBondContact O-N 3.36Å; E26-K33 VanDerWaalsContact OE2-CE 3.32Å; E26-K33 WeakPolarHBondContact OE2-CE 3.43Å; E26-K33 IonicContact OE2-NZ 2.67Å; G31-K33 PolarHBondContact O-N 3.39Å; K33-I75 HydrophobicContact CB-CG2 3.71Å; K33-I75 HydrophobicContact CD-CG2 3.89Å; K33-I75 HydrophobicContact CG-CG2 4.16Å
34T89Confident85Confident0 Ų063.9 Ų63.90%036%0.356CS..EExtended strand (participates in β ladder)trans-102.3118.1177-58.10000108.7A23 V76 G78 H80 L85A23-T34 HydrophobicContact CB-CG2 3.74Å; T34-V76 PolarHBondContact N-O 3Å; T34-V76 PolarHBondContact O-N 3.19Å; T34-G78 PolarHBondContact N-O 3.45Å; T34-G78 PolarHBondContact OG1-O 3.42Å; T34-H80 PolarHBondContact OG1-N 3.12Å; T34-H80 VanDerWaalsContact OG1-N 3.12Å; T34-L85 HydrophobicContact CG2-CD1 4Å
35V89.3Confident84.9Confident5 Ų559.7 Ų59.73%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-98.2124178-174.60000109K24 E26 Y74 I75K24-V35 PolarHBondContact N-O 2.8Å; K24-V35 PolarHBondContact O-N 3.41Å; E26-V35 HydrophobicContact CB-CG2 4.2Å; E26-V35 HydrophobicContact CG-CG2 3.85Å; V35-Y74 WeakPolarHBondContact CA-O 3.4Å; V35-I75 HydrophobicContact CG2-CG1 4.14Å
36I88.9Confident84.7Confident0 Ų056 Ų560%032%0.323CS..EExtended strand (participates in β ladder)trans-93.2111.1177.5-52.3174.2000107.7L21 M39 F57 Y74 V76L21-I36 HydrophobicContact CD1-CG2 4.03Å; L21-I36 HydrophobicContact CD2-CG2 4.36Å; L21-I36 HydrophobicContact CG-CG2 4.02Å; I36-M39 HydrophobicContact CB-CB 4.32Å; I36-M39 HydrophobicContact CD1-CE 3.71Å; I36-M39 HydrophobicContact CG2-CB 3.84Å; I36-M39 HydrophobicContact CG2-CE 4.29Å; I36-F57 HydrophobicContact CD1-CD2 3.7Å; I36-F57 HydrophobicContact CD1-CE2 3.63Å; I36-Y74 PolarHBondContact N-O 3.33Å; I36-V76 HydrophobicContact CD1-CG2 4.28Å
37V87.3Confident84.7Confident95 Ų9558.2 Ų58.258%0.57634%0.336SS*.SBendtrans-78.7-35.3-175-174.90000111I22 K24I22-V37 PolarHBondContact O-N 2.95Å; I22-V37 VanDerWaalsContact O-N 3.08Å; K24-V37 HydrophobicContact CB-CG2 4.3Å
38N88.5Confident85.1Confident20 Ų2056.8 Ų56.811%0.10732%0.316CS..SBendtrans-102.423.7-169.5-164.628.7000113.8P19 R20 I22 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.34Å; P19-N38 WeakPolarHBondContact CG-ND2 3.47Å; R20-N38 PolarHBondContact O-ND2 2.83Å; I22-N38 HydrophobicContact CB-CB 4.28Å; N38-D41 WeakPolarHBondContact OD1-CB 3.49Å; N38-D41 PolarHBondContact OD1-OD2 2.76Å; N38-V42 WeakPolarHBondContact O-CG2 3.49Å; N38-V42 PolarHBondContact O-N 3.19Å
39M85.8Confident85.6Confident0 Ų048.9 Ų48.90%029%0.286CS..Hα-helixtrans-71.3-34.9-173.4-178.955.785.500112.3I36 V42 A43 P50 P53 T54 F57 Y74I36-M39 HydrophobicContact CB-CB 4.32Å; I36-M39 HydrophobicContact CD1-CE 3.71Å; I36-M39 HydrophobicContact CG2-CB 3.84Å; I36-M39 HydrophobicContact CG2-CE 4.29Å; M39-V42 PolarHBondContact O-N 3.07Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 3.45Å; M39-P50 HydrophobicContact CG-CB 3.75Å; M39-P53 HydrophobicContact CE-CB 3.91Å; M39-P53 HydrophobicContact SD-CB 3.93Å; M39-P53 HydrophobicContact SD-CG 4.22Å; M39-T54 WeakPolarHBondContact CE-OG1 3.39Å; M39-F57 HydrophobicContact CE-CD2 4.16Å; M39-F57 HydrophobicContact CE-CE2 3.53Å; M39-F57 HydrophobicContact CE-CZ 4.47Å; M39-Y74 HydrophobicContact CB-CD2 3.48Å; M39-Y74 VanDerWaalsContact CB-CD2 3.48Å; M39-Y74 HydrophobicContact CB-CE2 3.98Å; M39-Y74 HydrophobicContact CB-CG 4.05Å; M39-Y74 HydrophobicContact CG-CD1 4.48Å; M39-Y74 HydrophobicContact CG-CD2 3.76Å; M39-Y74 HydrophobicContact CG-CE2 4.11Å; M39-Y74 HydrophobicContact CG-CG 3.97Å
40V88Confident86Confident51 Ų5147.8 Ų47.831%0.30927%0.27SS..Hα-helixtrans-63.9-44.3-178.6-178.30000111.4A43 K44 D72 Y74V40-A43 PolarHBondContact O-N 3.5Å; V40-K44 WeakPolarHBondContact O-CB 3.2Å; V40-K44 PolarHBondContact O-N 3.19Å; V40-D72 HydrophobicContact CG2-CB 3.82Å; V40-Y74 HydrophobicContact CG2-CE2 3.85Å
41D87.5Confident86.4Confident91 Ų9140.3 Ų40.349%0.48723%0.231SC..Hα-helixtrans-69.7-38.1-178.7-62.5-42000111.9P19 N38 K44 A45P19-D41 HydrophobicContact CG-CB 3.91Å; N38-D41 WeakPolarHBondContact OD1-CB 3.49Å; N38-D41 PolarHBondContact OD1-OD2 2.76Å; D41-K44 PolarHBondContact O-N 3.16Å; D41-A45 PolarHBondContact O-N 2.94Å
42V86.8Confident86.9Confident0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-64.3-45.5173174.90000110.5P19 N38 M39 K44 A45 L46 L89P19-V42 HydrophobicContact CG-CG2 4Å; N38-V42 WeakPolarHBondContact O-CG2 3.49Å; N38-V42 PolarHBondContact O-N 3.19Å; M39-V42 PolarHBondContact O-N 3.07Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.12Å; V42-A45 WeakPolarHBondContact O-CB 3.38Å; V42-A45 PolarHBondContact O-N 3.38Å; V42-L46 HydrophobicContact CG1-CD1 3.99Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 3.36Å; V42-L89 HydrophobicContact CG1-CD1 4.21Å; V42-L89 HydrophobicContact CG1-CD2 3.97Å
43A86.9Confident86.9Confident2 Ų235.4 Ų35.42%0.01719%0.192CC..Hα-helixtrans-62.2-39.7179.200000112.1M39 V40 L46 N47 R48 P50M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 3.45Å; V40-A43 PolarHBondContact O-N 3.5Å; A43-L46 CarbonylContact O-C 3.57Å; A43-L46 PolarHBondContact O-N 2.88Å; A43-N47 PolarHBondContact O-N 2.97Å; A43-N47 VanDerWaalsContact O-N 3.13Å; A43-R48 CarbonylContact C-O 3.53Å; A43-R48 WeakPolarHBondContact CB-O 3.13Å; A43-R48 PolarHBondContact O-N 3.17Å; A43-P50 HydrophobicContact CB-CB 3.64Å; A43-P50 HydrophobicContact CB-CG 4.32Å
44K86.4Confident86.8Confident163 Ų16332.1 Ų32.171%0.70918%0.178SC*.Hα-helixtrans-64.1-40.4174.3-169.4175.7-177.8179.10112.2V40 D41 V42 L46 N47V40-K44 WeakPolarHBondContact O-CB 3.2Å; V40-K44 PolarHBondContact O-N 3.19Å; D41-K44 PolarHBondContact O-N 3.16Å; V42-K44 VanDerWaalsContact C-N 3.31Å; V42-K44 PolarHBondContact O-N 3.12Å; K44-L46 VanDerWaalsContact C-N 3.28Å; K44-L46 PolarHBondContact O-N 2.97Å; K44-N47 PolarHBondContact O-N 3.13Å
45A85.9Confident86.7Confident38 Ų3834.9 Ų34.931%0.31419%0.19SC..Hα-helixtrans-64.9-32.5175.500000112.7M18 D41 V42M18-A45 HydrophobicContact CB-CB 4.09Å; D41-A45 PolarHBondContact O-N 2.94Å; V42-A45 WeakPolarHBondContact O-CB 3.38Å; V42-A45 PolarHBondContact O-N 3.38Å
46L84.4Confident86.7Confident0 Ų034.9 Ų34.90%019%0.189CC..THydrogen-bonded Turntrans-87.6-0.8179.1-61.1175.3000113.7V5 V42 A43 K44 R48 I93 V97V5-L46 HydrophobicContact CG1-CD2 3.74Å; V5-L46 HydrophobicContact CG2-CD2 4.46Å; V42-L46 HydrophobicContact CG1-CD1 3.99Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 3.36Å; A43-L46 CarbonylContact O-C 3.57Å; A43-L46 PolarHBondContact O-N 2.88Å; K44-L46 VanDerWaalsContact C-N 3.28Å; K44-L46 PolarHBondContact O-N 2.97Å; L46-R48 PolarHBondContact O-N 3.34Å; L46-I93 HydrophobicContact CD1-CD1 4.42Å; L46-I93 HydrophobicContact CD1-CG1 4.12Å; L46-I93 HydrophobicContact CD2-CD1 4.02Å; L46-I93 HydrophobicContact CD2-CG1 3.9Å; L46-V97 HydrophobicContact CB-CG2 4.48Å; L46-V97 HydrophobicContact CD2-CG1 4.14Å; L46-V97 HydrophobicContact CD2-CG2 4.47Å
47N83Confident86.7Confident92 Ų9234.9 Ų34.949%0.49219%0.189SC..THydrogen-bonded Turntrans49.541.7-171.1-65.2-53.1000112.6A43 K44A43-N47 PolarHBondContact O-N 2.97Å; A43-N47 VanDerWaalsContact O-N 3.13Å; K44-N47 PolarHBondContact O-N 3.13Å
48R85.9Confident86.7Confident18 Ų1830.6 Ų30.67%0.06817%0.165CC..SBendtrans-130.5151.9178.1-69.7-65.2179.4-85.3-4.2110.4A43 L46 F96 V97 T107A43-R48 CarbonylContact C-O 3.53Å; A43-R48 WeakPolarHBondContact CB-O 3.13Å; A43-R48 PolarHBondContact O-N 3.17Å; L46-R48 PolarHBondContact O-N 3.34Å; R48-F96 PolarHBondContact NH2-O 2.88Å; R48-V97 HydrophobicContact CG-CG2 4.48Å; R48-T107 VanDerWaalsContact CZ-O 3.3Å; R48-T107 PolarHBondContact NH1-O 2.89Å; R48-T107 PolarHBondContact NH2-O 2.69Å; R48-T107 PolarHBondContact NH2-OG1 3.48Å
49P85.7Confident86.6Confident39 Ų3931.2 Ų31.225%0.25317%0.17SC..  trans-67.4141.2173.228.1-33.5000110.2T51 Y52 P53P49-T51 PolarHBondContact O-N 2.83Å; P49-Y52 HydrophobicContact CG-CD1 3.89Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.78Å; P49-Y52 HydrophobicContact CG-CE2 3.54Å; P49-Y52 HydrophobicContact CG-CG 3.83Å; P49-Y52 PolarHBondContact O-N 2.65Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P49-P53 VanDerWaalsContact O-CD 3.23Å; P49-P53 WeakPolarHBondContact O-CD 3.43Å
50P86.1Confident86.5Confident28 Ų2835.5 Ų35.518%0.18219%0.19CC..THydrogen-bonded Turntrans-64.9-12-177.925.6-36.1000114.2M39 A43 T54 Y74M39-P50 HydrophobicContact CG-CB 3.75Å; A43-P50 HydrophobicContact CB-CB 3.64Å; A43-P50 HydrophobicContact CB-CG 4.32Å; P50-T54 WeakPolarHBondContact O-CB 3.5Å; P50-T54 PolarHBondContact O-OG1 2.82Å; P50-Y74 HydrophobicContact CB-CE1 3.85Å; P50-Y74 HydrophobicContact CB-CE2 3.97Å; P50-Y74 VanDerWaalsContact CB-CZ 3.47Å; P50-Y74 WeakPolarHBondContact CB-OH 3.38Å; P50-Y74 HydrophobicContact CG-CE1 4.09Å; P50-Y74 HydrophobicContact CG-CE2 4.37Å; P50-Y74 WeakPolarHBondContact CG-OH 3.39Å
51T85.7Confident86.4Confident30 Ų3035.7 Ų35.718%0.18419%0.189CC..Hα-helixtrans-68.2-32173.353.70000112.5P49 K55 F67P49-T51 PolarHBondContact O-N 2.83Å; T51-K55 VanDerWaalsContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CB 3.36Å; T51-K55 PolarHBondContact O-N 3.44Å; T51-F67 HydrophobicContact CG2-CD1 4.37Å
52Y87.4Confident86.3Confident3 Ų334.8 Ų34.81%0.01220%0.202CC..Hα-helixtrans-73.1-51.9-175.7-63.4-6.2000113.1P49 T54 K55 F56 L109 F140 I141 N144 P146P49-Y52 HydrophobicContact CG-CD1 3.89Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.78Å; P49-Y52 HydrophobicContact CG-CE2 3.54Å; P49-Y52 HydrophobicContact CG-CG 3.83Å; P49-Y52 PolarHBondContact O-N 2.65Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; Y52-T54 VanDerWaalsContact C-N 3.28Å; Y52-T54 PolarHBondContact O-N 2.85Å; Y52-K55 PolarHBondContact O-N 3.09Å; Y52-F56 PolarHBondContact O-N 3.43Å; Y52-L109 HydrophobicContact CE2-CD2 3.89Å; Y52-F140 HydrophobicContact CD1-CD1 4.35Å; Y52-F140 HydrophobicContact CD1-CE1 4.33Å; Y52-I141 HydrophobicContact CD1-CG1 4.18Å; Y52-I141 HydrophobicContact CD2-CD1 4.38Å; Y52-I141 HydrophobicContact CD2-CG1 4.13Å; Y52-I141 HydrophobicContact CE1-CG1 4.01Å; Y52-I141 HydrophobicContact CE2-CD1 4.45Å; Y52-I141 HydrophobicContact CE2-CG1 3.96Å; Y52-I141 HydrophobicContact CE2-CG2 4.27Å; Y52-I141 HydrophobicContact CG-CG1 4.24Å; Y52-N144 PolarHBondContact OH-O 3.35Å; Y52-P146 WeakPolarHBondContact OH-CD 3.4Å
53P87.7Confident86.3Confident0 Ų035.7 Ų35.70%021%0.209CC..Hα-helixtrans-63.2-37.2177.9-1931.9000111.9M39 P49 K55 F56 F57 L89 F92M39-P53 HydrophobicContact CE-CB 3.91Å; M39-P53 HydrophobicContact SD-CB 3.93Å; M39-P53 HydrophobicContact SD-CG 4.22Å; P49-P53 VanDerWaalsContact O-CD 3.23Å; P49-P53 WeakPolarHBondContact O-CD 3.43Å; P53-K55 PolarHBondContact O-N 2.87Å; P53-F56 WeakPolarHBondContact O-CB 3.35Å; P53-F56 PolarHBondContact O-N 3.39Å; P53-F57 WeakPolarHBondContact O-CD2 3.14Å; P53-F57 WeakPolarHBondContact O-CG 3.42Å; P53-F57 PolarHBondContact O-N 2.97Å; P53-L89 HydrophobicContact CB-CD1 4.19Å; P53-F92 HydrophobicContact CB-CD1 4.43Å; P53-F92 HydrophobicContact CB-CE1 4.38Å; P53-F92 HydrophobicContact CG-CD1 4.37Å; P53-F92 HydrophobicContact CG-CE1 3.87Å; P53-F92 HydrophobicContact CG-CZ 4.26Å
54T87.2Confident86.1Confident0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-63.4-42176-56.90000111.4M39 P50 Y52 F56 F57 G58 T65 F67 Y74 V76M39-T54 WeakPolarHBondContact CE-OG1 3.39Å; P50-T54 WeakPolarHBondContact O-CB 3.5Å; P50-T54 PolarHBondContact O-OG1 2.82Å; Y52-T54 VanDerWaalsContact C-N 3.28Å; Y52-T54 PolarHBondContact O-N 2.85Å; T54-F56 VanDerWaalsContact C-N 3.34Å; T54-F57 PolarHBondContact O-N 3.09Å; T54-G58 PolarHBondContact O-N 2.96Å; T54-T65 HydrophobicContact CG2-CG2 4.41Å; T54-T65 VanDerWaalsContact O-CG2 3.26Å; T54-T65 WeakPolarHBondContact O-CG2 3.46Å; T54-F67 HydrophobicContact CG2-CD1 3.89Å; T54-F67 HydrophobicContact CG2-CE1 3.45Å; T54-F67 VanDerWaalsContact CG2-CE1 3.45Å; T54-F67 HydrophobicContact CG2-CZ 4.34Å; T54-Y74 HydrophobicContact CG2-CD1 4.26Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.45Å; T54-V76 HydrophobicContact CG2-CG2 4.41Å
55K87.4Confident86.2Confident58 Ų5836.1 Ų36.125%0.25222%0.215SC..Hα-helixtrans-68.5-35.5176.6-173.864.5-178.8172.80112T51 Y52 P53 F57 G58 C59 F67 L137 F140T51-K55 VanDerWaalsContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CB 3.36Å; T51-K55 PolarHBondContact O-N 3.44Å; Y52-K55 PolarHBondContact O-N 3.09Å; P53-K55 PolarHBondContact O-N 2.87Å; K55-F57 VanDerWaalsContact C-N 3.34Å; K55-G58 PolarHBondContact O-N 3.49Å; K55-G58 VanDerWaalsContact O-N 3.13Å; K55-C59 PolarHBondContact O-N 2.88Å; K55-C59 VanDerWaalsContact O-N 3.07Å; K55-F67 HydrophobicContact CB-CE1 4.5Å; K55-F67 HydrophobicContact CB-CZ 4Å; K55-F67 HydrophobicContact CD-CZ 4.04Å; K55-L137 HydrophobicContact CB-CD1 3.67Å; K55-L137 HydrophobicContact CG-CD1 3.71Å; K55-F140 HydrophobicContact CB-CD1 4.06Å; K55-F140 HydrophobicContact CB-CE1 4.13Å; K55-F140 HydrophobicContact CD-CD2 4.19Å; K55-F140 HydrophobicContact CD-CE2 4.34Å; K55-F140 HydrophobicContact CD-CG 4.33Å; K55-F140 HydrophobicContact CG-CB 4.16Å; K55-F140 HydrophobicContact CG-CD1 3.8Å; K55-F140 HydrophobicContact CG-CD2 4.13Å; K55-F140 HydrophobicContact CG-CE1 4.19Å; K55-F140 HydrophobicContact CG-CE2 4.5Å; K55-F140 HydrophobicContact CG-CG 3.76Å
56F88.8Confident86.1Confident4 Ų440.1 Ų40.12%0.01823%0.227CC..Hα-helixtrans-57.6-47.3174.6-176.8-98.6000111.1Y52 P53 T54 G58 C59 E60 M88 F92 F96 H135 L137Y52-F56 PolarHBondContact O-N 3.43Å; P53-F56 WeakPolarHBondContact O-CB 3.35Å; P53-F56 PolarHBondContact O-N 3.39Å; T54-F56 VanDerWaalsContact C-N 3.34Å; F56-G58 VanDerWaalsContact C-N 3.27Å; F56-G58 PolarHBondContact O-N 3.4Å; F56-C59 WeakPolarHBondContact O-CB 3.34Å; F56-C59 PolarHBondContact O-N 3.14Å; F56-E60 HydrophobicContact CD1-CG 4.1Å; F56-E60 HydrophobicContact CE1-CG 3.57Å; F56-E60 HydrophobicContact CE2-CG 4.08Å; F56-E60 HydrophobicContact CZ-CG 3.56Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.46Å; F56-E60 PolarHBondContact O-N 3.49Å; F56-M88 HydrophobicContact CE1-CB 4.45Å; F56-M88 WeakPolarHBondContact CE1-O 3.32Å; F56-F92 HydrophobicContact CB-CD2 3.95Å; F56-F92 HydrophobicContact CD1-CB 3.71Å; F56-F92 HydrophobicContact CD1-CD2 4.3Å; F56-F92 HydrophobicContact CD1-CG 4.37Å; F56-F92 HydrophobicContact CD2-CB 4.49Å; F56-F92 AromaticContact CD2-CD2 3.9Å; F56-F92 HydrophobicContact CD2-CD2 3.9Å; F56-F92 HydrophobicContact CE1-CB 3.82Å; F56-F92 HydrophobicContact CG-CB 4.06Å; F56-F92 AromaticContact CG-CD2 3.77Å; F56-F92 HydrophobicContact CG-CD2 3.77Å; F56-F92 HydrophobicContact CG-CG 4.28Å; F56-F92 HydrophobicContact CZ-CB 4.27Å; F56-F96 HydrophobicContact CD2-CE2 4.06Å; F56-F96 AromaticContact CE2-CE2 3.97Å; F56-F96 HydrophobicContact CE2-CE2 3.97Å; F56-H135 AromaticContact CD2-CE1 3.38Å; F56-H135 WeakPolarHBondContact CD2-CE1 3.42Å; F56-H135 AromaticContact CD2-ND1 3.96Å; F56-H135 AromaticContact CE2-CE1 3.41Å; F56-H135 VanDerWaalsContact CE2-CE1 3.41Å; F56-H135 WeakPolarHBondContact CE2-CE1 3.4Å; F56-H135 AromaticContact CE2-NE2 3.59Å; F56-L137 HydrophobicContact CB-CD2 4.1Å; F56-L137 HydrophobicContact CD2-CD2 4.11Å
57F88.9Confident85.9Confident0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-57.6-39174.2-61.2-34.7000113L21 I36 M39 P53 T54 K55 C59 L61 V76 L85 M88 L89L21-F57 HydrophobicContact CD1-CE2 4.21Å; L21-F57 HydrophobicContact CD1-CZ 4.19Å; I36-F57 HydrophobicContact CD1-CD2 3.7Å; I36-F57 HydrophobicContact CD1-CE2 3.63Å; M39-F57 HydrophobicContact CE-CD2 4.16Å; M39-F57 HydrophobicContact CE-CE2 3.53Å; M39-F57 HydrophobicContact CE-CZ 4.47Å; P53-F57 WeakPolarHBondContact O-CD2 3.14Å; P53-F57 WeakPolarHBondContact O-CG 3.42Å; P53-F57 PolarHBondContact O-N 2.97Å; T54-F57 PolarHBondContact O-N 3.09Å; K55-F57 VanDerWaalsContact C-N 3.34Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 2.91Å; F57-L61 HydrophobicContact CB-CD1 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.32Å; F57-L61 VanDerWaalsContact O-CG 3.3Å; F57-L61 WeakPolarHBondContact O-CG 3.35Å; F57-L61 PolarHBondContact O-N 3.29Å; F57-V76 HydrophobicContact CB-CG2 4.34Å; F57-L85 HydrophobicContact CB-CD2 4.47Å; F57-L85 HydrophobicContact CD1-CD2 4.21Å; F57-L85 HydrophobicContact CD2-CD2 4.06Å; F57-L85 HydrophobicContact CE1-CD2 4.46Å; F57-L85 WeakPolarHBondContact CE1-O 3.28Å; F57-L85 HydrophobicContact CE2-CD2 4.29Å; F57-L85 HydrophobicContact CG-CD2 4.02Å; F57-L85 HydrophobicContact CZ-CD2 4.5Å; F57-M88 HydrophobicContact CD1-CB 3.9Å; F57-M88 HydrophobicContact CD1-CE 4.14Å; F57-M88 HydrophobicContact CE1-CB 3.79Å; F57-L89 HydrophobicContact CE1-CB 4.26Å; F57-L89 HydrophobicContact CZ-CB 4.1Å; F57-L89 HydrophobicContact CZ-CD1 3.8Å
58G86.6Confident85.9Confident6 Ų641.6 Ų41.66%0.06223%0.232CC..Hα-helixtrans-63.6-36.4174.900000113.8T54 K55 F56 G62 A63 T65T54-G58 PolarHBondContact O-N 2.96Å; K55-G58 PolarHBondContact O-N 3.49Å; K55-G58 VanDerWaalsContact O-N 3.13Å; F56-G58 VanDerWaalsContact C-N 3.27Å; F56-G58 PolarHBondContact O-N 3.4Å; G58-G62 CarbonylContact O-C 3.54Å; G58-G62 WeakPolarHBondContact O-CA 3.4Å; G58-G62 PolarHBondContact O-N 2.71Å; G58-G62 VanDerWaalsContact O-N 3.13Å; G58-A63 CarbonylContact C-O 3.53Å; G58-A63 WeakPolarHBondContact CA-O 3.2Å; G58-A63 PolarHBondContact O-N 2.75Å; G58-T65 VanDerWaalsContact CA-CG2 3.5Å
59C85.6Confident85.4Confident32 Ų3245.4 Ų45.422%0.21626%0.257CS..Hα-helixtrans-71-45.6178-71.60000112.2K55 F56 F57K55-C59 PolarHBondContact O-N 2.88Å; K55-C59 VanDerWaalsContact O-N 3.07Å; F56-C59 WeakPolarHBondContact O-CB 3.34Å; F56-C59 PolarHBondContact O-N 3.14Å; F57-C59 VanDerWaalsContact C-N 3.33Å; F57-C59 PolarHBondContact O-N 2.91Å
60E85.7Confident85Confident91 Ų9152.7 Ų52.743%0.42529%0.285SS..Hα-helixtrans-70.8-41.1-178.8-69.9-65.516500112.2F56 G62 M88 H135F56-E60 HydrophobicContact CD1-CG 4.1Å; F56-E60 HydrophobicContact CE1-CG 3.57Å; F56-E60 HydrophobicContact CE2-CG 4.08Å; F56-E60 HydrophobicContact CZ-CG 3.56Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.46Å; F56-E60 PolarHBondContact O-N 3.49Å; E60-G62 VanDerWaalsContact C-N 3.32Å; E60-G62 PolarHBondContact O-N 3.27Å; E60-M88 HydrophobicContact CB-SD 3.89Å; E60-H135 IonicContact OE1-NE2 2.87Å; E60-H135 PolarHBondContact OE1-NE2 3.02Å
61L85.8Confident84.5Confident55 Ų5556.3 Ų56.329%0.28830%0.303SS..THydrogen-bonded Turntrans-84.1-6.6-179.9-62.9171000113.5F57 A63 V76 H80 L85 M88F57-L61 HydrophobicContact CB-CD1 4.41Å; F57-L61 WeakPolarHBondContact O-CB 3.32Å; F57-L61 VanDerWaalsContact O-CG 3.3Å; F57-L61 WeakPolarHBondContact O-CG 3.35Å; F57-L61 PolarHBondContact O-N 3.29Å; L61-A63 HydrophobicContact CB-CB 4.13Å; L61-A63 PolarHBondContact O-N 2.96Å; L61-V76 HydrophobicContact CD1-CG1 4.11Å; L61-H80 VanDerWaalsContact CD1-CE1 3.45Å; L61-H80 WeakPolarHBondContact CD1-CE1 3.42Å; L61-H80 WeakPolarHBondContact CD1-NE2 3.48Å; L61-L85 HydrophobicContact CD1-CD2 4.23Å; L61-M88 HydrophobicContact CD1-CE 3.71Å; L61-M88 HydrophobicContact CD1-SD 4.28Å; L61-M88 HydrophobicContact CD2-CE 3.69Å; L61-M88 HydrophobicContact CD2-SD 3.58Å; L61-M88 VanDerWaalsContact CD2-SD 3.58Å; L61-M88 HydrophobicContact CG-CE 3.77Å; L61-M88 HydrophobicContact CG-SD 3.69Å
62G84.6Confident84.1Confident72 Ų7259.2 Ų59.274%0.74232%0.317SS*.THydrogen-bonded Turntrans62.522.3-171.300000113.4G58 E60G58-G62 CarbonylContact O-C 3.54Å; G58-G62 WeakPolarHBondContact O-CA 3.4Å; G58-G62 PolarHBondContact O-N 2.71Å; G58-G62 VanDerWaalsContact O-N 3.13Å; E60-G62 VanDerWaalsContact C-N 3.32Å; E60-G62 PolarHBondContact O-N 3.27Å
63A85.9Confident83.9Confident19 Ų1965 Ų6516%0.15734%0.338CS..  trans-98.9147.5-174.900000112.2G58 L61 V76 N77G58-A63 CarbonylContact C-O 3.53Å; G58-A63 WeakPolarHBondContact CA-O 3.2Å; G58-A63 PolarHBondContact O-N 2.75Å; L61-A63 HydrophobicContact CB-CB 4.13Å; L61-A63 PolarHBondContact O-N 2.96Å; A63-V76 HydrophobicContact CB-CG1 3.94Å; A63-N77 WeakPolarHBondContact CB-O 3.46Å
64Q84.5Confident83.9Confident152 Ų15265.1 Ų65.171%0.7134%0.339SS*.  trans-74.9136.2167.8-68.5-175.44.100110.4N77Q64-N77 WeakPolarHBondContact O-CB 3.43Å; Q64-N77 PolarHBondContact O-N 3.41Å
65T87.3Confident83.9Confident22 Ų2266 Ų6614%0.13534%0.343CS..EExtended strand (participates in β ladder)trans-110.7133-179.255.20000109.5T54 G58 F67 I75 V76T54-T65 HydrophobicContact CG2-CG2 4.41Å; T54-T65 VanDerWaalsContact O-CG2 3.26Å; T54-T65 WeakPolarHBondContact O-CG2 3.46Å; G58-T65 VanDerWaalsContact CA-CG2 3.5Å; T65-F67 WeakPolarHBondContact OG1-CE2 3.28Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.28Å; T65-I75 WeakPolarHBondContact CA-O 3.42Å; T65-V76 HydrophobicContact CG2-CG2 4.4Å
66Q83.1Confident84.1Confident122 Ų12263.2 Ų63.257%0.5733%0.331SS*.EExtended strand (participates in β ladder)trans-111.4129.9173.7-172.1-178.59.900109.4I75Q66-I75 HydrophobicContact CB-CB 4.26Å; Q66-I75 PolarHBondContact N-O 3.31Å; Q66-I75 PolarHBondContact O-N 3.07Å
67F82Confident84Confident62 Ų6266.3 Ų66.327%0.27235%0.348SS..EExtended strand (participates in β ladder)trans-112.5121.9-179.1-47.3-85.6000109.3T51 T54 K55 T65 Y74 F140T51-F67 HydrophobicContact CG2-CD1 4.37Å; T54-F67 HydrophobicContact CG2-CD1 3.89Å; T54-F67 HydrophobicContact CG2-CE1 3.45Å; T54-F67 VanDerWaalsContact CG2-CE1 3.45Å; T54-F67 HydrophobicContact CG2-CZ 4.34Å; K55-F67 HydrophobicContact CB-CE1 4.5Å; K55-F67 HydrophobicContact CB-CZ 4Å; K55-F67 HydrophobicContact CD-CZ 4.04Å; T65-F67 WeakPolarHBondContact OG1-CE2 3.28Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.28Å; F67-Y74 HydrophobicContact CD1-CD1 4.18Å; F67-F140 HydrophobicContact CE2-CZ 4.45Å; F67-F140 HydrophobicContact CZ-CZ 4.47Å
68D81.3Confident83.9Confident60 Ų6067.5 Ų67.532%0.32136%0.361SS..EExtended strand (participates in β ladder)trans-114.991.6166-168.8-11.8000109.4K70 N71 D72 R73D68-K70 PolarHBondContact O-N 3.23Å; D68-K70 PolarHBondContact OD1-N 2.89Å; D68-N71 PolarHBondContact O-N 3.14Å; D68-N71 PolarHBondContact OD1-N 3.16Å; D68-N71 PolarHBondContact OD2-ND2 3.07Å; D68-D72 PolarHBondContact O-N 3.23Å; D68-D72 VanDerWaalsContact O-N 3.15Å; D68-R73 HydrophobicContact CB-CB 4.45Å; D68-R73 PolarHBondContact N-O 2.83Å; D68-R73 VanDerWaalsContact N-O 3.11Å; D68-R73 PolarHBondContact O-N 3Å
69V75.2Confident83.7Confident98 Ų9871.2 Ų71.259%0.59439%0.386SS*.THydrogen-bonded Turntrans-66-19.4-177.9-175.10000111.8
70K77.6Confident83.6Confident193 Ų19371.2 Ų71.284%0.83938%0.383SS*.THydrogen-bonded Turntrans-84.7-27.2-179.3-67.9-177.1179.3179.60113.2D68D68-K70 PolarHBondContact O-N 3.23Å; D68-K70 PolarHBondContact OD1-N 2.89Å
71N76.2Confident83.7Confident104 Ų10472.3 Ų72.356%0.55639%0.388SS*.THydrogen-bonded Turntrans-110.97.3-176.8-68-60.6000112.5D68 R73D68-N71 PolarHBondContact O-N 3.14Å; D68-N71 PolarHBondContact OD1-N 3.16Å; D68-N71 PolarHBondContact OD2-ND2 3.07Å; N71-R73 HydrophobicContact CB-CG 4.48Å; N71-R73 PolarHBondContact O-N 3.29Å
72D77.4Confident83.7Confident90 Ų9071.1 Ų71.148%0.48139%0.385SS..THydrogen-bonded Turntrans49.531-175.4-66-40.9000113.4V40 D68 Y74V40-D72 HydrophobicContact CG2-CB 3.82Å; D68-D72 PolarHBondContact O-N 3.23Å; D68-D72 VanDerWaalsContact O-N 3.15Å; D72-Y74 WeakPolarHBondContact O-CE2 3.29Å
73R82.7Confident83.9Confident124 Ų12471.9 Ų71.947%0.46837%0.373SS..EExtended strand (participates in β ladder)trans-101.9116.9-179.2-81.8-175.8175.2-120.22.7110.1E26 D68 N71E26-R73 IonicContact OE1-NH1 3.26Å; E26-R73 PolarHBondContact OE1-NH1 3.44Å; E26-R73 IonicContact OE2-NH1 2.74Å; D68-R73 HydrophobicContact CB-CB 4.45Å; D68-R73 PolarHBondContact N-O 2.83Å; D68-R73 VanDerWaalsContact N-O 3.11Å; D68-R73 PolarHBondContact O-N 3Å; N71-R73 HydrophobicContact CB-CG 4.48Å; N71-R73 PolarHBondContact O-N 3.29Å
74Y88Confident83.9Confident4 Ų477.1 Ų77.12%0.01639%0.392CS..EExtended strand (participates in β ladder)trans-110118.4177.1-57.1-82.2000109.5V35 I36 M39 V40 P50 T54 F67 D72V35-Y74 WeakPolarHBondContact CA-O 3.4Å; I36-Y74 PolarHBondContact N-O 3.33Å; M39-Y74 HydrophobicContact CB-CD2 3.48Å; M39-Y74 VanDerWaalsContact CB-CD2 3.48Å; M39-Y74 HydrophobicContact CB-CE2 3.98Å; M39-Y74 HydrophobicContact CB-CG 4.05Å; M39-Y74 HydrophobicContact CG-CD1 4.48Å; M39-Y74 HydrophobicContact CG-CD2 3.76Å; M39-Y74 HydrophobicContact CG-CE2 4.11Å; M39-Y74 HydrophobicContact CG-CG 3.97Å; V40-Y74 HydrophobicContact CG2-CE2 3.85Å; P50-Y74 HydrophobicContact CB-CE1 3.85Å; P50-Y74 HydrophobicContact CB-CE2 3.97Å; P50-Y74 VanDerWaalsContact CB-CZ 3.47Å; P50-Y74 WeakPolarHBondContact CB-OH 3.38Å; P50-Y74 HydrophobicContact CG-CE1 4.09Å; P50-Y74 HydrophobicContact CG-CE2 4.37Å; P50-Y74 WeakPolarHBondContact CG-OH 3.39Å; T54-Y74 HydrophobicContact CG2-CD1 4.26Å; T54-Y74 WeakPolarHBondContact OG1-CD1 3.45Å; F67-Y74 HydrophobicContact CD1-CD1 4.18Å; D72-Y74 WeakPolarHBondContact O-CE2 3.29Å
75I88.4Confident84Confident17 Ų1770 Ų709%0.08736%0.358CS..EExtended strand (participates in β ladder)trans-119.1127.9-173.3-51.1-179.5000109.1K33 V35 T65 Q66K33-I75 HydrophobicContact CB-CG2 3.71Å; K33-I75 HydrophobicContact CD-CG2 3.89Å; K33-I75 HydrophobicContact CG-CG2 4.16Å; V35-I75 HydrophobicContact CG2-CG1 4.14Å; T65-I75 WeakPolarHBondContact CA-O 3.42Å; Q66-I75 HydrophobicContact CB-CB 4.26Å; Q66-I75 PolarHBondContact N-O 3.31Å; Q66-I75 PolarHBondContact O-N 3.07Å
76V89.8Confident84Confident0 Ų070.9 Ų70.90%036%0.361CS..EExtended strand (participates in β ladder)trans-112.9125.3171.8-175.10000107.9T34 I36 T54 F57 L61 A63 T65T34-V76 PolarHBondContact N-O 3Å; T34-V76 PolarHBondContact O-N 3.19Å; I36-V76 HydrophobicContact CD1-CG2 4.28Å; T54-V76 HydrophobicContact CG2-CG2 4.41Å; F57-V76 HydrophobicContact CB-CG2 4.34Å; L61-V76 HydrophobicContact CD1-CG1 4.11Å; A63-V76 HydrophobicContact CB-CG1 3.94Å; T65-V76 HydrophobicContact CG2-CG2 4.4Å
77N88Confident84.3Confident69 Ų6969.1 Ų69.137%0.36936%0.356SS..EExtended strand (participates in β ladder)trans-67.3140176-72.3-16000110.4A63 Q64 H80A63-N77 WeakPolarHBondContact CB-O 3.46Å; Q64-N77 WeakPolarHBondContact O-CB 3.43Å; Q64-N77 PolarHBondContact O-N 3.41Å; N77-H80 PolarHBondContact O-NE2 3.07Å
78G85.6Confident84.5Confident26 Ų2667.7 Ų67.727%0.26835%0.35SS..SBendtrans109.2162.7-177.300000113.5I32 T34I32-G78 WeakPolarHBondContact O-CA 3.48Å; I32-G78 PolarHBondContact O-N 3.35Å; T34-G78 PolarHBondContact N-O 3.45Å; T34-G78 PolarHBondContact OG1-O 3.42Å
79S83Confident84.8Confident84 Ų8465 Ų6559%0.58734%0.336SS*.  trans-90.8103.617557.90000109.7
80H83.8Confident85.4Confident32 Ų3261.4 Ų61.415%0.14831%0.313CS..  trans-121.2128.9178.8-59-69.5000110.7T34 L61 N77 L85T34-H80 PolarHBondContact OG1-N 3.12Å; T34-H80 VanDerWaalsContact OG1-N 3.12Å; L61-H80 VanDerWaalsContact CD1-CE1 3.45Å; L61-H80 WeakPolarHBondContact CD1-CE1 3.42Å; L61-H80 WeakPolarHBondContact CD1-NE2 3.48Å; N77-H80 PolarHBondContact O-NE2 3.07Å; H80-L85 HydrophobicContact CB-CD1 4.04Å; H80-L85 HydrophobicContact CB-CD2 4.24Å; H80-L85 HydrophobicContact CB-CG 4.05Å
81E87.3Confident85.9Confident114 Ų11453.4 Ų53.453%0.53329%0.286SS..  trans-75.2148.4173.7-166.8-178.4165.400110.3N83 K84 L85E81-N83 PolarHBondContact O-N 3.29Å; E81-N83 PolarHBondContact OE1-ND2 3.47Å; E81-K84 PolarHBondContact O-N 3.22Å; E81-L85 PolarHBondContact O-N 2.87Å
82A86.3Confident86.4Confident29 Ų2948.5 Ų48.524%0.2426%0.26CS..Hα-helixtrans-58.2-34.4-179.200000113.1A23 L85 Q86A23-A82 HydrophobicContact CB-CB 4.39Å; A82-L85 PolarHBondContact O-N 2.76Å; A82-Q86 WeakPolarHBondContact O-CG 3.4Å; A82-Q86 PolarHBondContact O-N 3.29Å
83N87.5Confident86.9Confident89 Ų8944.3 Ų44.348%0.47624%0.237SC..Hα-helixtrans-63.8-47.4179.5-65-37000111.9E81 L85 Q86 D87E81-N83 PolarHBondContact O-N 3.29Å; E81-N83 PolarHBondContact OE1-ND2 3.47Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.92Å; N83-Q86 WeakPolarHBondContact O-CB 3.38Å; N83-Q86 PolarHBondContact O-N 3.03Å; N83-D87 PolarHBondContact O-N 3.46Å
84K87.3Confident87.1Confident129 Ų12945.1 Ų45.156%0.56124%0.244SC*.Hα-helixtrans-62-38.4176.7-65.4-174.3-179.7-178.40112E81 Q86 D87 M88E81-K84 PolarHBondContact O-N 3.22Å; K84-Q86 VanDerWaalsContact C-N 3.3Å; K84-D87 PolarHBondContact O-N 3Å; K84-M88 WeakPolarHBondContact O-CE 3.38Å; K84-M88 WeakPolarHBondContact O-CG 3.47Å; K84-M88 PolarHBondContact O-N 2.94Å; K84-M88 VanDerWaalsContact O-N 3.12Å
85L86.4Confident86.8Confident1 Ų151.1 Ų51.11%0.00527%0.27CS..Hα-helixtrans-67.6-31.7176-69.6166.2000112.3L21 A23 T34 F57 L61 H80 E81 A82 N83 M88 L89L21-L85 HydrophobicContact CD2-CB 3.61Å; L21-L85 HydrophobicContact CD2-CD1 4.01Å; L21-L85 HydrophobicContact CD2-CG 4.45Å; A23-L85 HydrophobicContact CB-CD1 3.66Å; T34-L85 HydrophobicContact CG2-CD1 4Å; F57-L85 HydrophobicContact CB-CD2 4.47Å; F57-L85 HydrophobicContact CD1-CD2 4.21Å; F57-L85 HydrophobicContact CD2-CD2 4.06Å; F57-L85 HydrophobicContact CE1-CD2 4.46Å; F57-L85 WeakPolarHBondContact CE1-O 3.28Å; F57-L85 HydrophobicContact CE2-CD2 4.29Å; F57-L85 HydrophobicContact CG-CD2 4.02Å; F57-L85 HydrophobicContact CZ-CD2 4.5Å; L61-L85 HydrophobicContact CD1-CD2 4.23Å; H80-L85 HydrophobicContact CB-CD1 4.04Å; H80-L85 HydrophobicContact CB-CD2 4.24Å; H80-L85 HydrophobicContact CB-CG 4.05Å; E81-L85 PolarHBondContact O-N 2.87Å; A82-L85 PolarHBondContact O-N 2.76Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.92Å; L85-M88 HydrophobicContact CD2-CE 3.58Å; L85-M88 HydrophobicContact CG-CE 4.21Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 2.8Å
86Q87.4Confident86.5Confident41 Ų4150.8 Ų50.819%0.19227%0.268CS..Hα-helixtrans-69-45.8173.1-73.91772200111.6L21 A82 N83 K84 M88 L89 D90L21-Q86 HydrophobicContact CB-CG 3.96Å; L21-Q86 PolarHBondContact O-NE2 3.34Å; A82-Q86 WeakPolarHBondContact O-CG 3.4Å; A82-Q86 PolarHBondContact O-N 3.29Å; N83-Q86 WeakPolarHBondContact O-CB 3.38Å; N83-Q86 PolarHBondContact O-N 3.03Å; K84-Q86 VanDerWaalsContact C-N 3.3Å; Q86-M88 VanDerWaalsContact C-N 3.29Å; Q86-M88 PolarHBondContact O-N 3.07Å; Q86-L89 WeakPolarHBondContact O-CA 3.24Å; Q86-L89 WeakPolarHBondContact O-CB 3.29Å; Q86-L89 PolarHBondContact O-N 3.38Å; Q86-D90 PolarHBondContact O-N 3.48Å
87D88.3Confident86.2Confident85 Ų8550.8 Ų50.846%0.45527%0.268SS..Hα-helixtrans-62-37.8178.3-64.2-33.7000112R7 N83 K84 D90 G91R7-D87 IonicContact CZ-OD1 3.46Å; R7-D87 IonicContact NH1-OD1 3.99Å; R7-D87 PolarHBondContact NH1-OD1 3.43Å; R7-D87 IonicContact NH2-OD1 3.2Å; N83-D87 PolarHBondContact O-N 3.46Å; K84-D87 PolarHBondContact O-N 3Å; D87-D90 PolarHBondContact O-N 3.16Å; D87-G91 PolarHBondContact O-N 3.09Å; D87-G91 VanDerWaalsContact O-N 3.1Å
88M87.7Confident86.1Confident33 Ų3348.3 Ų48.316%0.16326%0.255CS..Hα-helixtrans-68.6-36172.6-69.8-176.2-65.500112.4F56 F57 E60 L61 K84 L85 Q86 D90 G91 F92F56-M88 HydrophobicContact CE1-CB 4.45Å; F56-M88 WeakPolarHBondContact CE1-O 3.32Å; F57-M88 HydrophobicContact CD1-CB 3.9Å; F57-M88 HydrophobicContact CD1-CE 4.14Å; F57-M88 HydrophobicContact CE1-CB 3.79Å; E60-M88 HydrophobicContact CB-SD 3.89Å; L61-M88 HydrophobicContact CD1-CE 3.71Å; L61-M88 HydrophobicContact CD1-SD 4.28Å; L61-M88 HydrophobicContact CD2-CE 3.69Å; L61-M88 HydrophobicContact CD2-SD 3.58Å; L61-M88 VanDerWaalsContact CD2-SD 3.58Å; L61-M88 HydrophobicContact CG-CE 3.77Å; L61-M88 HydrophobicContact CG-SD 3.69Å; K84-M88 WeakPolarHBondContact O-CE 3.38Å; K84-M88 WeakPolarHBondContact O-CG 3.47Å; K84-M88 PolarHBondContact O-N 2.94Å; K84-M88 VanDerWaalsContact O-N 3.12Å; L85-M88 HydrophobicContact CD2-CE 3.58Å; L85-M88 HydrophobicContact CG-CE 4.21Å; Q86-M88 VanDerWaalsContact C-N 3.29Å; Q86-M88 PolarHBondContact O-N 3.07Å; M88-D90 VanDerWaalsContact C-N 3.3Å; M88-G91 PolarHBondContact O-N 2.69Å; M88-F92 PolarHBondContact O-N 3.4Å
89L87.6Confident86Confident3 Ų347.2 Ų47.22%0.01624%0.243CC..Hα-helixtrans-63.3-40.3174.6-169.388.8000110.3M18 L21 V42 P53 F57 L85 Q86 G91 F92 I93M18-L89 HydrophobicContact CE-CD2 3.96Å; M18-L89 HydrophobicContact SD-CD2 3.83Å; L21-L89 HydrophobicContact CD1-CD1 4.49Å; V42-L89 HydrophobicContact CG1-CD1 4.21Å; V42-L89 HydrophobicContact CG1-CD2 3.97Å; P53-L89 HydrophobicContact CB-CD1 4.19Å; F57-L89 HydrophobicContact CE1-CB 4.26Å; F57-L89 HydrophobicContact CZ-CB 4.1Å; F57-L89 HydrophobicContact CZ-CD1 3.8Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 2.8Å; Q86-L89 WeakPolarHBondContact O-CA 3.24Å; Q86-L89 WeakPolarHBondContact O-CB 3.29Å; Q86-L89 PolarHBondContact O-N 3.38Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.34Å; L89-F92 WeakPolarHBondContact O-CB 3.26Å; L89-F92 PolarHBondContact O-N 3.49Å; L89-F92 VanDerWaalsContact O-N 3.11Å; L89-I93 HydrophobicContact CD2-CD1 4.09Å; L89-I93 HydrophobicContact CG-CD1 4.11Å; L89-I93 VanDerWaalsContact O-CG1 3.3Å; L89-I93 WeakPolarHBondContact O-CG1 3.35Å; L89-I93 PolarHBondContact O-N 3.31Å
90D87.4Confident85.9Confident22 Ų2248.1 Ų48.112%0.11825%0.247CC..Hα-helixtrans-61.3-41.3175.5-66.8-18.9000110.7R7 Q86 D87 M88 F92 I93 K94R7-D90 WeakPolarHBondContact CD-OD2 3.41Å; R7-D90 IonicContact CZ-OD2 3.85Å; R7-D90 IonicContact NE-OD2 3.33Å; R7-D90 IonicContact NH1-OD2 3.82Å; R7-D90 PolarHBondContact NH1-OD2 2.81Å; Q86-D90 PolarHBondContact O-N 3.48Å; D87-D90 PolarHBondContact O-N 3.16Å; M88-D90 VanDerWaalsContact C-N 3.3Å; D90-F92 VanDerWaalsContact C-N 3.34Å; D90-F92 PolarHBondContact O-N 3.01Å; D90-I93 PolarHBondContact O-N 2.82Å; D90-K94 WeakPolarHBondContact O-CG 3.33Å; D90-K94 PolarHBondContact O-N 2.9Å
91G87.1Confident85.7Confident26 Ų2652.7 Ų52.727%0.26827%0.268SS..Hα-helixtrans-60.5-39.7171.700000113.4D87 M88 L89 K95D87-G91 PolarHBondContact O-N 3.09Å; D87-G91 VanDerWaalsContact O-N 3.1Å; M88-G91 PolarHBondContact O-N 2.69Å; L89-G91 VanDerWaalsContact C-N 3.31Å; L89-G91 PolarHBondContact O-N 3.34Å; G91-K95 WeakPolarHBondContact O-CG 3.31Å; G91-K95 PolarHBondContact O-N 3.25Å
92F87.9Confident85.2Confident1 Ų149 Ų490%0.00426%0.255CS..Hα-helixtrans-65.5-43.7174.1174.6-101000112.1P53 F56 M88 L89 D90 K95 F96 V97 L137P53-F92 HydrophobicContact CB-CD1 4.43Å; P53-F92 HydrophobicContact CB-CE1 4.38Å; P53-F92 HydrophobicContact CG-CD1 4.37Å; P53-F92 HydrophobicContact CG-CE1 3.87Å; P53-F92 HydrophobicContact CG-CZ 4.26Å; F56-F92 HydrophobicContact CB-CD2 3.95Å; F56-F92 HydrophobicContact CD1-CB 3.71Å; F56-F92 HydrophobicContact CD1-CD2 4.3Å; F56-F92 HydrophobicContact CD1-CG 4.37Å; F56-F92 HydrophobicContact CD2-CB 4.49Å; F56-F92 AromaticContact CD2-CD2 3.9Å; F56-F92 HydrophobicContact CD2-CD2 3.9Å; F56-F92 HydrophobicContact CE1-CB 3.82Å; F56-F92 HydrophobicContact CG-CB 4.06Å; F56-F92 AromaticContact CG-CD2 3.77Å; F56-F92 HydrophobicContact CG-CD2 3.77Å; F56-F92 HydrophobicContact CG-CG 4.28Å; F56-F92 HydrophobicContact CZ-CB 4.27Å; M88-F92 PolarHBondContact O-N 3.4Å; L89-F92 WeakPolarHBondContact O-CB 3.26Å; L89-F92 PolarHBondContact O-N 3.49Å; L89-F92 VanDerWaalsContact O-N 3.11Å; D90-F92 VanDerWaalsContact C-N 3.34Å; D90-F92 PolarHBondContact O-N 3.01Å; F92-K95 PolarHBondContact O-N 2.92Å; F92-F96 HydrophobicContact CD2-CB 4.07Å; F92-F96 AromaticContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CE2 4.1Å; F92-F96 AromaticContact CD2-CG 3.98Å; F92-F96 HydrophobicContact CD2-CG 3.98Å; F92-F96 HydrophobicContact CE2-CB 3.65Å; F92-F96 AromaticContact CE2-CD2 3.57Å; F92-F96 HydrophobicContact CE2-CD2 3.57Å; F92-F96 HydrophobicContact CE2-CE2 4.39Å; F92-F96 AromaticContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CG-CD2 4.28Å; F92-F96 HydrophobicContact CZ-CB 3.93Å; F92-F96 HydrophobicContact CZ-CG 4.45Å; F92-F96 WeakPolarHBondContact O-CB 3.34Å; F92-F96 PolarHBondContact O-N 3.3Å; F92-V97 HydrophobicContact CD1-CG2 4.25Å; F92-V97 HydrophobicContact CE1-CG2 3.82Å; F92-L137 HydrophobicContact CD2-CD2 4.04Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å
93I88.3Confident84.8Confident2 Ų253.1 Ų53.11%0.0127%0.269CS..Hα-helixtrans-61.6-47.6-179.8-69.3164.4000110.1V5 M18 L46 L89 D90 K95 V97 L98V5-I93 HydrophobicContact CG1-CD1 4.44Å; V5-I93 HydrophobicContact CG1-CG2 3.93Å; M18-I93 HydrophobicContact CE-CD1 3.84Å; M18-I93 HydrophobicContact SD-CD1 3.86Å; L46-I93 HydrophobicContact CD1-CD1 4.42Å; L46-I93 HydrophobicContact CD1-CG1 4.12Å; L46-I93 HydrophobicContact CD2-CD1 4.02Å; L46-I93 HydrophobicContact CD2-CG1 3.9Å; L89-I93 HydrophobicContact CD2-CD1 4.09Å; L89-I93 HydrophobicContact CG-CD1 4.11Å; L89-I93 VanDerWaalsContact O-CG1 3.3Å; L89-I93 WeakPolarHBondContact O-CG1 3.35Å; L89-I93 PolarHBondContact O-N 3.31Å; D90-I93 PolarHBondContact O-N 2.82Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 3.07Å; I93-V97 HydrophobicContact CG1-CG2 4.48Å; I93-V97 HydrophobicContact CG2-CB 4.22Å; I93-V97 WeakPolarHBondContact O-CA 3.47Å; I93-V97 WeakPolarHBondContact O-CB 3.12Å; I93-V97 PolarHBondContact O-N 2.92Å; I93-L98 HydrophobicContact CG2-CD1 4.34Å; I93-L98 HydrophobicContact CG2-CD2 3.99Å; I93-L98 HydrophobicContact CG2-CG 3.87Å; I93-L98 PolarHBondContact O-N 3.29Å
94K85.5Confident84.5Confident141 Ų14151.1 Ų51.161%0.61326%0.258SS*.Hα-helixtrans-58.5-41.4178-72.8-179178.6-172.30113.2D90 L98D90-K94 WeakPolarHBondContact O-CG 3.33Å; D90-K94 PolarHBondContact O-N 2.9Å; K94-L98 HydrophobicContact CG-CD1 4.34Å
95K83Confident84.2Confident129 Ų12945.3 Ų45.356%0.56123%0.234SC*.Hα-helixtrans-85.3-34.2-175.4-67.1-176.4179.5-174.50114.4G91 F92 I93G91-K95 WeakPolarHBondContact O-CG 3.31Å; G91-K95 PolarHBondContact O-N 3.25Å; F92-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 3.07Å
96F80.7Confident84.1Confident10 Ų1048.2 Ų48.24%0.04425%0.247CC..Hα-helixtrans-120.7-14.9-167.6-65.6-79.7000115.5R48 F56 F92 H135 L137R48-F96 PolarHBondContact NH2-O 2.88Å; F56-F96 HydrophobicContact CD2-CE2 4.06Å; F56-F96 AromaticContact CE2-CE2 3.97Å; F56-F96 HydrophobicContact CE2-CE2 3.97Å; F92-F96 HydrophobicContact CD2-CB 4.07Å; F92-F96 AromaticContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CD2 3.37Å; F92-F96 HydrophobicContact CD2-CE2 4.1Å; F92-F96 AromaticContact CD2-CG 3.98Å; F92-F96 HydrophobicContact CD2-CG 3.98Å; F92-F96 HydrophobicContact CE2-CB 3.65Å; F92-F96 AromaticContact CE2-CD2 3.57Å; F92-F96 HydrophobicContact CE2-CD2 3.57Å; F92-F96 HydrophobicContact CE2-CE2 4.39Å; F92-F96 AromaticContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CG-CD2 4.28Å; F92-F96 HydrophobicContact CZ-CB 3.93Å; F92-F96 HydrophobicContact CZ-CG 4.45Å; F92-F96 WeakPolarHBondContact O-CB 3.34Å; F92-F96 PolarHBondContact O-N 3.3Å; F96-H135 HydrophobicContact CZ-CB 3.82Å; F96-H135 AromaticContact CZ-CG 4Å; F96-H135 AromaticContact CZ-ND1 3.96Å; F96-L137 HydrophobicContact CD2-CD2 4.34Å; F96-L137 HydrophobicContact CE1-CD2 4.3Å; F96-L137 HydrophobicContact CE2-CD2 4.05Å; F96-L137 HydrophobicContact CZ-CB 4.32Å; F96-L137 HydrophobicContact CZ-CD2 4.04Å
97V85Confident83.9Confident0 Ų046.3 Ų46.30%024%0.238CC..THydrogen-bonded Turntrans-114.1-45.2-175-176.10000111.5L46 R48 F92 I93 P105 T107L46-V97 HydrophobicContact CB-CG2 4.48Å; L46-V97 HydrophobicContact CD2-CG1 4.14Å; L46-V97 HydrophobicContact CD2-CG2 4.47Å; R48-V97 HydrophobicContact CG-CG2 4.48Å; F92-V97 HydrophobicContact CD1-CG2 4.25Å; F92-V97 HydrophobicContact CE1-CG2 3.82Å; I93-V97 HydrophobicContact CG1-CG2 4.48Å; I93-V97 HydrophobicContact CG2-CB 4.22Å; I93-V97 WeakPolarHBondContact O-CA 3.47Å; I93-V97 WeakPolarHBondContact O-CB 3.12Å; I93-V97 PolarHBondContact O-N 2.92Å; V97-P105 HydrophobicContact CG1-CB 3.93Å; V97-T107 WeakPolarHBondContact O-CG2 3.44Å; V97-T107 PolarHBondContact O-OG1 3.24Å
98L85.6Confident83.6Confident18 Ų1844.6 Ų44.69%0.09423%0.229CC..SBendtrans-71141.3178.4-58.3-174.8000110.9I93 K94 E103 P105I93-L98 HydrophobicContact CG2-CD1 4.34Å; I93-L98 HydrophobicContact CG2-CD2 3.99Å; I93-L98 HydrophobicContact CG2-CG 3.87Å; I93-L98 PolarHBondContact O-N 3.29Å; K94-L98 HydrophobicContact CG-CD1 4.34Å; L98-E103 WeakPolarHBondContact CD2-O 3.48Å; L98-P105 HydrophobicContact CD2-CB 4.05Å
99C83.6Confident83.3Confident2 Ų244 Ų441%0.01423%0.227CC..  trans-77.1135170.1-178.10000109.8E101 C102 E103 N104 T107 C122 C125C99-E101 PolarHBondContact O-N 3Å; C99-C102 VanDerWaalsContact CB-SG 3.55Å; C99-C102 VanDerWaalsContact SG-SG 3.7Å; C99-E103 WeakPolarHBondContact O-CA 3.28Å; C99-E103 PolarHBondContact O-N 2.99Å; C99-N104 PolarHBondContact N-O 3.31Å; C99-T107 HydrophobicContact CB-CG2 3.87Å; C99-C122 HydrophobicContact CB-CB 4.01Å; C99-C125 VanDerWaalsContact SG-SG 3.62Å
100P79.6Confident82.9Confident103 Ų10348.5 Ų48.567%0.66925%0.247SC*.THydrogen-bonded Turntrans-64.9-20.7179.125.8-35.3000113.8Y127P100-Y127 HydrophobicContact CG-CD1 4.44Å; P100-Y127 HydrophobicContact CG-CE1 3.94Å
101E79.3Confident82.4Confident129 Ų12948.5 Ų48.560%0.60325%0.248SC*.THydrogen-bonded Turntrans-97.4-31.4-175-169175.2-150.300113.4C99 Y127C99-E101 PolarHBondContact O-N 3Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.32Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.33Å
102C78.1Confident81.8Confident36 Ų3651.4 Ų51.424%0.24326%0.257CS..THydrogen-bonded Turntrans-1313.9-172.766.90000114.8C99 N104 C122 C125C99-C102 VanDerWaalsContact CB-SG 3.55Å; C99-C102 VanDerWaalsContact SG-SG 3.7Å; C102-N104 PolarHBondContact O-N 3.46Å; C102-N104 PolarHBondContact O-ND2 2.97Å; C102-C122 PolarHBondContact SG-SG 2.93Å; C102-C125 HydrophobicContact CB-CB 4.09Å; C102-C125 PolarHBondContact SG-SG 3.29Å
103E78.3Confident80.8Confident115 Ų11555.1 Ų55.154%0.53728%0.282SS..  trans51.219.5177.7-57.6-168.8167.200115.6L98 C99L98-E103 WeakPolarHBondContact CD2-O 3.48Å; C99-E103 WeakPolarHBondContact O-CA 3.28Å; C99-E103 PolarHBondContact O-N 2.99Å
104N81.4Confident79.8Confident48 Ų4864.9 Ų64.926%0.25732%0.324SS..  trans-88.7138.9179.1-75.5-45.9000110.7C99 C102 E106 A124C99-N104 PolarHBondContact N-O 3.31Å; C102-N104 PolarHBondContact O-N 3.46Å; C102-N104 PolarHBondContact O-ND2 2.97Å; N104-E106 VanDerWaalsContact C-N 3.26Å; N104-E106 PolarHBondContact O-N 3.33Å; N104-A124 HydrophobicContact CB-CB 3.96Å; N104-A124 VanDerWaalsContact ND2-CB 3.31Å; N104-A124 WeakPolarHBondContact ND2-CB 3.31Å
105P80.5Confident78.8Confident7 Ų766.2 Ų66.25%0.04533%0.33CS..SBendtrans-79.7-4.1-179.331.6-35.1000113.9V5 Y16 V97 L98 T107V5-P105 HydrophobicContact CG1-CB 3.77Å; V5-P105 HydrophobicContact CG1-CG 4.21Å; Y16-P105 HydrophobicContact CD1-CG 3.93Å; Y16-P105 HydrophobicContact CD2-CG 3.6Å; Y16-P105 HydrophobicContact CE1-CG 4.46Å; Y16-P105 HydrophobicContact CE2-CG 4.15Å; Y16-P105 HydrophobicContact CG-CG 3.46Å; Y16-P105 VanDerWaalsContact CG-CG 3.46Å; V97-P105 HydrophobicContact CG1-CB 3.93Å; L98-P105 HydrophobicContact CD2-CB 4.05Å; P105-T107 VanDerWaalsContact C-N 3.29Å; P105-T107 PolarHBondContact O-N 2.9Å
106E82.9Confident78.1Confident62 Ų6265.6 Ų65.629%0.2933%0.329SS..  trans-81.172.1177.4-65.9-165.516400111.9Y16 N104 K123Y16-E106 HydrophobicContact CE1-CG 3.6Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.29Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.34Å; Y16-E106 PolarHBondContact OH-OE1 3.46Å; N104-E106 VanDerWaalsContact C-N 3.26Å; N104-E106 PolarHBondContact O-N 3.33Å; E106-K123 HydrophobicContact CB-CB 4.3Å; E106-K123 PolarHBondContact O-N 3.35Å
107T83.8Confident77.9Confident0 Ų067.2 Ų67.20%034%0.34CS..EExtended strand (participates in β ladder)trans-120.1142.2178.367.90000111.2R48 V97 C99 P105 N120 S121 C122R48-T107 VanDerWaalsContact CZ-O 3.3Å; R48-T107 PolarHBondContact NH1-O 2.89Å; R48-T107 PolarHBondContact NH2-O 2.69Å; R48-T107 PolarHBondContact NH2-OG1 3.48Å; V97-T107 WeakPolarHBondContact O-CG2 3.44Å; V97-T107 PolarHBondContact O-OG1 3.24Å; C99-T107 HydrophobicContact CB-CG2 3.87Å; P105-T107 VanDerWaalsContact C-N 3.29Å; P105-T107 PolarHBondContact O-N 2.9Å; T107-N120 WeakPolarHBondContact CB-OD1 3.48Å; T107-S121 CarbonylContact C-O 3.39Å; T107-S121 WeakPolarHBondContact CA-O 3.46Å; T107-C122 HydrophobicContact CG2-CB 4.23Å
108D82.7Confident77.7Confident50 Ų5067.8 Ų67.827%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-109.8124.6177.8-72.9-24.5000110.9H110 N120 S121 K123D108-H110 PolarHBondContact O-ND1 3.35Å; D108-H110 VanDerWaalsContact O-ND1 3.15Å; D108-N120 PolarHBondContact O-OD1 2.97Å; D108-S121 PolarHBondContact N-O 3.22Å; D108-S121 PolarHBondContact O-N 3.39Å; D108-K123 IonicContact OD1-NZ 2.7Å; D108-K123 PolarHBondContact OD1-NZ 3.32Å; D108-K123 WeakPolarHBondContact OD2-CE 3.44Å; D108-K123 IonicContact OD2-NZ 2.86Å; D108-K123 PolarHBondContact OD2-NZ 3.29Å
109L81.9Confident77.6Confident20 Ų2067.7 Ų67.711%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-84.9119179.9-150.273.2000110.9Y52 I118 L131 I141Y52-L109 HydrophobicContact CE2-CD2 3.89Å; L109-I118 HydrophobicContact CD1-CG2 3.76Å; L109-I118 HydrophobicContact CD2-CG2 4.06Å; L109-I118 HydrophobicContact CG-CG2 3.77Å; L109-L131 HydrophobicContact CD1-CD1 3.2Å; L109-I141 HydrophobicContact CD2-CD1 4.33Å; L109-I141 HydrophobicContact CD2-CG2 3.8Å
110H78.8Confident77.7Confident98 Ų9867.8 Ų67.845%0.45435%0.347SS..EExtended strand (participates in β ladder)trans-112.2111.5177.3-67.577.4000109.6D108 G119D108-H110 PolarHBondContact O-ND1 3.35Å; D108-H110 VanDerWaalsContact O-ND1 3.15Å; H110-G119 PolarHBondContact N-O 2.7Å; H110-G119 PolarHBondContact O-N 3.28Å
111V77.1Confident77.9Confident22 Ų2263.9 Ų63.913%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-92123.1178.4-176.60000108.9P113 I141 L142 P145 P146V111-P113 WeakPolarHBondContact O-CD 3.48Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å; V111-L142 HydrophobicContact CG1-CD2 4.18Å; V111-P145 HydrophobicContact CB-CB 4.28Å; V111-P145 HydrophobicContact CG1-CB 4.46Å; V111-P146 HydrophobicContact CG2-CG 4.35Å
112N73.1Confident78.3Confident86 Ų8658.1 Ų58.146%0.4630%0.295SS..EExtended strand (participates in β ladder)trans-100.992.8173.3-77.9-64.3000109.5K114 K115 Q116 T117N112-K114 PolarHBondContact O-N 3.35Å; N112-K114 VanDerWaalsContact O-N 3.1Å; N112-K115 HydrophobicContact CB-CB 4.4Å; N112-K115 PolarHBondContact O-N 2.92Å; N112-K115 VanDerWaalsContact O-N 3.11Å; N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 VanDerWaalsContact O-N 3.12Å; N112-T117 PolarHBondContact N-O 2.99Å; N112-T117 VanDerWaalsContact N-O 3.08Å
113P67.7Low78.6Confident80 Ų8062.2 Ų62.252%0.51931%0.309SS..THydrogen-bonded Turntrans-61-27.1-175.322.8-33.3000112.9V111 Q116V111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-Q116 PolarHBondContact O-NE2 3.34Å
114K67.5Low78.7Confident206 Ų20659.3 Ų59.390%0.89631%0.305SS*.THydrogen-bonded Turntrans-72-32.4178.4-67.5-174.3179.9179.50114.1N112N112-K114 PolarHBondContact O-N 3.35Å; N112-K114 VanDerWaalsContact O-N 3.1Å
115K64.1Low78.7Confident169 Ų16959.6 Ų59.674%0.73531%0.31SS*.THydrogen-bonded Turntrans-99.8-2.7-179.3-69.2-171.2177-175.10112.5N112 T117N112-K115 HydrophobicContact CB-CB 4.4Å; N112-K115 PolarHBondContact O-N 2.92Å; N112-K115 VanDerWaalsContact O-N 3.11Å; K115-T117 WeakPolarHBondContact CB-OG1 3.33Å; K115-T117 WeakPolarHBondContact O-CG2 3.43Å; K115-T117 PolarHBondContact O-N 3.44Å; K115-T117 VanDerWaalsContact O-N 3.12Å
116Q69.1Low78.6Confident117 Ų11761.9 Ų61.955%0.54733%0.334SS..THydrogen-bonded Turntrans51.628.3-173-66-69.4-68.400113N112 P113 L142N112-Q116 PolarHBondContact O-N 2.87Å; N112-Q116 VanDerWaalsContact O-N 3.12Å; P113-Q116 PolarHBondContact O-NE2 3.34Å; Q116-L142 HydrophobicContact CB-CD2 4.4Å
117T75.9Confident78.4Confident44 Ų4463.1 Ų63.127%0.2734%0.337SS..EExtended strand (participates in β ladder)trans-115.4145.9179.952.20000111N112 K115 M130N112-T117 PolarHBondContact N-O 2.99Å; N112-T117 VanDerWaalsContact N-O 3.08Å; K115-T117 WeakPolarHBondContact CB-OG1 3.33Å; K115-T117 WeakPolarHBondContact O-CG2 3.43Å; K115-T117 PolarHBondContact O-N 3.44Å; K115-T117 VanDerWaalsContact O-N 3.12Å; T117-M130 HydrophobicContact CG2-CE 4.32Å
118I81.8Confident78.2Confident12 Ų1273.3 Ų73.36%0.06238%0.376CS..EExtended strand (participates in β ladder)trans-104.3118.8174.8-55.3168.8000106.8L109 L131 C138 I141 L142L109-I118 HydrophobicContact CD1-CG2 3.76Å; L109-I118 HydrophobicContact CD2-CG2 4.06Å; L109-I118 HydrophobicContact CG-CG2 3.77Å; I118-L131 HydrophobicContact CG2-CB 4.47Å; I118-L131 HydrophobicContact CG2-CD1 3.96Å; I118-L131 PolarHBondContact O-N 3.07Å; I118-C138 HydrophobicContact CD1-CB 3.66Å; I118-I141 HydrophobicContact CD1-CB 3.85Å; I118-I141 HydrophobicContact CD1-CD1 4.32Å; I118-I141 HydrophobicContact CD1-CG2 3.75Å; I118-I141 HydrophobicContact CG1-CG2 4.19Å; I118-I141 HydrophobicContact CG2-CG2 4.43Å; I118-L142 HydrophobicContact CD1-CG 4.42Å; I118-L142 HydrophobicContact CG1-CD2 4.45Å; I118-L142 HydrophobicContact CG1-CG 4.28Å
119G82.6Confident77.8Confident16 Ų1671.4 Ų71.417%0.16537%0.367CS..EExtended strand (participates in β ladder)trans-96.9145.6172.300000110.7H110 G129H110-G119 PolarHBondContact N-O 2.7Å; H110-G119 PolarHBondContact O-N 3.28Å; G119-G129 CarbonylContact C-O 3.57Å; G119-G129 WeakPolarHBondContact CA-O 3.37Å
120N85.4Confident77.7Confident4 Ų477.7 Ų77.72%0.02140%0.398CS..EExtended strand (participates in β ladder)trans-114.5136.1168.6-170.821.3000109.7T107 D108 R128 G129 L131T107-N120 WeakPolarHBondContact CB-OD1 3.48Å; D108-N120 PolarHBondContact O-OD1 2.97Å; N120-R128 WeakPolarHBondContact O-CA 3.49Å; N120-G129 PolarHBondContact N-O 2.96Å; N120-G129 PolarHBondContact O-N 3.16Å; N120-L131 HydrophobicContact CB-CD1 4.01Å; N120-L131 HydrophobicContact CB-CD2 4.24Å; N120-L131 HydrophobicContact CB-CG 3.81Å
121S84.4Confident77.3Confident21 Ų2174.2 Ų74.215%0.14738%0.383CS..EExtended strand (participates in β ladder)trans-123.3115.4177.8-63.20000109.9T107 D108 Y127T107-S121 CarbonylContact C-O 3.39Å; T107-S121 WeakPolarHBondContact CA-O 3.46Å; D108-S121 PolarHBondContact N-O 3.22Å; D108-S121 PolarHBondContact O-N 3.39Å; S121-Y127 CarbonylContact C-O 3.6Å; S121-Y127 WeakPolarHBondContact CA-O 2.8Å
122C87.2Confident76.7Confident7 Ų777.9 Ų77.95%0.04740%0.402CS..EExtended strand (participates in β ladder)trans-84.3133.3177.8-174.20000111.3C99 C102 T107 A124 C125 G126 Y127C99-C122 HydrophobicContact CB-CB 4.01Å; C102-C122 PolarHBondContact SG-SG 2.93Å; T107-C122 HydrophobicContact CG2-CB 4.23Å; C122-A124 PolarHBondContact SG-N 2.93Å; C122-A124 VanDerWaalsContact SG-N 3.4Å; C122-C125 VanDerWaalsContact CB-SG 3.57Å; C122-C125 VanDerWaalsContact SG-SG 3.64Å; C122-G126 WeakPolarHBondContact O-CA 3.42Å; C122-G126 PolarHBondContact O-N 3.42Å; C122-G126 VanDerWaalsContact O-N 3.08Å; C122-Y127 PolarHBondContact N-O 3.29Å
123K83.6Confident76.2Confident122 Ų12278.7 Ų78.753%0.5341%0.41SS..THydrogen-bonded Turntrans-77.8-27.6174.9-73.4178.9172.4134.10113.2E106 D108E106-K123 HydrophobicContact CB-CB 4.3Å; E106-K123 PolarHBondContact O-N 3.35Å; D108-K123 IonicContact OD1-NZ 2.7Å; D108-K123 PolarHBondContact OD1-NZ 3.32Å; D108-K123 WeakPolarHBondContact OD2-CE 3.44Å; D108-K123 IonicContact OD2-NZ 2.86Å; D108-K123 PolarHBondContact OD2-NZ 3.29Å
124A82Confident76Confident55 Ų5581.4 Ų81.446%0.45542%0.42SS..THydrogen-bonded Turntrans-78.1-48.3-176.300000112.9N104 C122N104-A124 HydrophobicContact CB-CB 3.96Å; N104-A124 VanDerWaalsContact ND2-CB 3.31Å; N104-A124 WeakPolarHBondContact ND2-CB 3.31Å; C122-A124 PolarHBondContact SG-N 2.93Å; C122-A124 VanDerWaalsContact SG-N 3.4Å
125C79.8Confident76.2Confident54 Ų5473.3 Ų73.337%0.36539%0.385SS..THydrogen-bonded Turntrans-103.8-10.7-179.764.60000114.2C99 C102 C122 Y127C99-C125 VanDerWaalsContact SG-SG 3.62Å; C102-C125 HydrophobicContact CB-CB 4.09Å; C102-C125 PolarHBondContact SG-SG 3.29Å; C122-C125 VanDerWaalsContact CB-SG 3.57Å; C122-C125 VanDerWaalsContact SG-SG 3.64Å; C125-Y127 PolarHBondContact O-N 3.39Å; C125-Y127 WeakPolarHBondContact SG-CB 3.37Å
126G79.1Confident76.5Confident54 Ų5472.9 Ų72.956%0.55738%0.383SS*.  trans76.23.2-176.400000114.7C122 R128C122-G126 WeakPolarHBondContact O-CA 3.42Å; C122-G126 PolarHBondContact O-N 3.42Å; C122-G126 VanDerWaalsContact O-N 3.08Å; G126-R128 PolarHBondContact O-N 3.16Å
127Y79.1Confident76.9Confident89 Ų8967.3 Ų67.335%0.34936%0.357SS..  trans-56.8130.9178.2-178.9-103.3000111.7P100 E101 S121 C122 C125P100-Y127 HydrophobicContact CG-CD1 4.44Å; P100-Y127 HydrophobicContact CG-CE1 3.94Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.32Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.33Å; S121-Y127 CarbonylContact C-O 3.6Å; S121-Y127 WeakPolarHBondContact CA-O 2.8Å; C122-Y127 PolarHBondContact N-O 3.29Å; C125-Y127 PolarHBondContact O-N 3.39Å; C125-Y127 WeakPolarHBondContact SG-CB 3.37Å
128R79.8Confident76.7Confident214 Ų21465.4 Ų65.481%0.80835%0.346SS*.EExtended strand (participates in β ladder)trans-118103.7170.3-70.6-170177.1129-0.2108.6N120 G126N120-R128 WeakPolarHBondContact O-CA 3.49Å; G126-R128 PolarHBondContact O-N 3.16Å
129G74.9Confident76.4Confident9 Ų968.6 Ų68.69%0.09337%0.366CS..EExtended strand (participates in β ladder)trans-120.2163.5-179.600000112.5G119 N120G119-G129 CarbonylContact C-O 3.57Å; G119-G129 WeakPolarHBondContact CA-O 3.37Å; N120-G129 PolarHBondContact N-O 2.96Å; N120-G129 PolarHBondContact O-N 3.16Å
130M78.4Confident76.1Confident153 Ų15369.7 Ų69.775%0.75437%0.366SS*.EExtended strand (participates in β ladder)trans-81.2135.9167.5-36.7178.876.400106.8T117T117-M130 HydrophobicContact CG2-CE 4.32Å
131L71.4Confident75.7Confident24 Ų2469.6 Ų69.613%0.12637%0.366CS..PPolyproline II helixtrans-80.7149.4167.9-82.2169.9000110.5L109 I118 N120 T133L109-L131 HydrophobicContact CD1-CD1 3.2Å; I118-L131 HydrophobicContact CG2-CB 4.47Å; I118-L131 HydrophobicContact CG2-CD1 3.96Å; I118-L131 PolarHBondContact O-N 3.07Å; N120-L131 HydrophobicContact CB-CD1 4.01Å; N120-L131 HydrophobicContact CB-CD2 4.24Å; N120-L131 HydrophobicContact CB-CG 3.81Å; L131-T133 PolarHBondContact O-N 3.42Å
132D63.8Low75.1Confident100 Ų10070.1 Ų70.154%0.53537%0.367SS..PPolyproline II helixtrans-56.4129.3175.8-177.211.4000110.9N134 C138D132-N134 VanDerWaalsContact C-N 3.32Å; D132-N134 WeakPolarHBondContact OD1-CB 3.38Å; D132-N134 PolarHBondContact OD1-N 3.38Å; D132-N134 VanDerWaalsContact OD1-N 3.08Å; D132-N134 PolarHBondContact OD1-ND2 2.93Å; D132-N134 VanDerWaalsContact OD1-ND2 3.13Å; D132-C138 PolarHBondContact O-SG 2.93Å
133T62.9Low74.3Confident102 Ų10277.2 Ų77.263%0.62640%0.397SS*.SBendtrans-86.7-6.2-173.9-50.10000111.7L131 H135L131-T133 PolarHBondContact O-N 3.42Å; T133-H135 VanDerWaalsContact C-N 3.29Å; T133-H135 PolarHBondContact O-N 3.39Å
134N64.1Low73.5Confident138 Ų13875.2 Ų75.274%0.73839%0.392SS*.  trans-74.6-7-169.7-73.5-31.9000115.8D132D132-N134 VanDerWaalsContact C-N 3.32Å; D132-N134 WeakPolarHBondContact OD1-CB 3.38Å; D132-N134 PolarHBondContact OD1-N 3.38Å; D132-N134 VanDerWaalsContact OD1-N 3.08Å; D132-N134 PolarHBondContact OD1-ND2 2.93Å; D132-N134 VanDerWaalsContact OD1-ND2 3.13Å
135H70.3Confident72.8Confident35 Ų3576.1 Ų76.116%0.16239%0.393CS..SBendtrans-99.3137.2-179.1-159.6-99.5000113.6F56 E60 F96 T133 L137 C138F56-H135 AromaticContact CD2-CE1 3.38Å; F56-H135 WeakPolarHBondContact CD2-CE1 3.42Å; F56-H135 AromaticContact CD2-ND1 3.96Å; F56-H135 AromaticContact CE2-CE1 3.41Å; F56-H135 VanDerWaalsContact CE2-CE1 3.41Å; F56-H135 WeakPolarHBondContact CE2-CE1 3.4Å; F56-H135 AromaticContact CE2-NE2 3.59Å; E60-H135 IonicContact OE1-NE2 2.87Å; E60-H135 PolarHBondContact OE1-NE2 3.02Å; F96-H135 HydrophobicContact CZ-CB 3.82Å; F96-H135 AromaticContact CZ-CG 4Å; F96-H135 AromaticContact CZ-ND1 3.96Å; T133-H135 VanDerWaalsContact C-N 3.29Å; T133-H135 PolarHBondContact O-N 3.39Å; H135-L137 WeakPolarHBondContact ND1-CB 3.17Å; H135-L137 PolarHBondContact ND1-N 3.38Å; H135-L137 VanDerWaalsContact ND1-N 3.2Å; H135-L137 PolarHBondContact O-N 3.46Å; H135-C138 VanDerWaalsContact O-CB 3.29Å; H135-C138 WeakPolarHBondContact O-CB 3.31Å; H135-C138 PolarHBondContact O-N 3.27Å
136K71.6Confident71.7Confident160 Ų16075.5 Ų75.570%0.69639%0.389SS*.Hα-helixtrans-56.5-19.4177.2-67.6175.6-176.6169.10113.8
137L76.6Confident70.4Confident0 Ų082.3 Ų82.30%041%0.406CS..Hα-helixtrans-68.8-33.1173.1-172.568.1000112.5K55 F56 F92 F96 H135 T139 F140 I141K55-L137 HydrophobicContact CB-CD1 3.67Å; K55-L137 HydrophobicContact CG-CD1 3.71Å; F56-L137 HydrophobicContact CB-CD2 4.1Å; F56-L137 HydrophobicContact CD2-CD2 4.11Å; F92-L137 HydrophobicContact CD2-CD2 4.04Å; F92-L137 HydrophobicContact CE2-CD2 3.55Å; F96-L137 HydrophobicContact CD2-CD2 4.34Å; F96-L137 HydrophobicContact CE1-CD2 4.3Å; F96-L137 HydrophobicContact CE2-CD2 4.05Å; F96-L137 HydrophobicContact CZ-CB 4.32Å; F96-L137 HydrophobicContact CZ-CD2 4.04Å; H135-L137 WeakPolarHBondContact ND1-CB 3.17Å; H135-L137 PolarHBondContact ND1-N 3.38Å; H135-L137 VanDerWaalsContact ND1-N 3.2Å; H135-L137 PolarHBondContact O-N 3.46Å; L137-T139 VanDerWaalsContact C-N 3.27Å; L137-T139 PolarHBondContact O-N 2.88Å; L137-F140 HydrophobicContact CD1-CB 4.47Å; L137-F140 HydrophobicContact CD1-CD1 4.39Å; L137-F140 WeakPolarHBondContact O-CA 3.46Å; L137-F140 WeakPolarHBondContact O-CB 3.44Å; L137-F140 PolarHBondContact O-N 3.24Å; L137-I141 HydrophobicContact CD2-CD1 4.11Å; L137-I141 HydrophobicContact CG-CD1 3.86Å; L137-I141 HydrophobicContact CG-CG1 4.18Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 2.83Å
138C71.8Confident68.6Low4 Ų483 Ų833%0.02742%0.424CS..Hα-helixtrans-60.3-39-180-63.50000111.2I118 D132 H135 F140 I141 L142I118-C138 HydrophobicContact CD1-CB 3.66Å; D132-C138 PolarHBondContact O-SG 2.93Å; H135-C138 VanDerWaalsContact O-CB 3.29Å; H135-C138 WeakPolarHBondContact O-CB 3.31Å; H135-C138 PolarHBondContact O-N 3.27Å; C138-F140 VanDerWaalsContact C-N 3.26Å; C138-F140 PolarHBondContact O-N 3.21Å; C138-I141 PolarHBondContact O-N 3.25Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.89Å
139T74.8Confident66.4Low80 Ų8078.1 Ų78.149%0.49142%0.423SS..Hα-helixtrans-61.5-33.4172.2-44.30000112.8L137 K143L137-T139 VanDerWaalsContact C-N 3.27Å; L137-T139 PolarHBondContact O-N 2.88Å; T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.46Å
140F76.1Confident64.3Low39 Ų3984.4 Ų84.417%0.17145%0.454CS..Hα-helixtrans-76.7-38.7178-175.8-99000112.2Y52 K55 F67 L137 C138 L142 K143 N144Y52-F140 HydrophobicContact CD1-CD1 4.35Å; Y52-F140 HydrophobicContact CD1-CE1 4.33Å; K55-F140 HydrophobicContact CB-CD1 4.06Å; K55-F140 HydrophobicContact CB-CE1 4.13Å; K55-F140 HydrophobicContact CD-CD2 4.19Å; K55-F140 HydrophobicContact CD-CE2 4.34Å; K55-F140 HydrophobicContact CD-CG 4.33Å; K55-F140 HydrophobicContact CG-CB 4.16Å; K55-F140 HydrophobicContact CG-CD1 3.8Å; K55-F140 HydrophobicContact CG-CD2 4.13Å; K55-F140 HydrophobicContact CG-CE1 4.19Å; K55-F140 HydrophobicContact CG-CE2 4.5Å; K55-F140 HydrophobicContact CG-CG 3.76Å; F67-F140 HydrophobicContact CE2-CZ 4.45Å; F67-F140 HydrophobicContact CZ-CZ 4.47Å; L137-F140 HydrophobicContact CD1-CB 4.47Å; L137-F140 HydrophobicContact CD1-CD1 4.39Å; L137-F140 WeakPolarHBondContact O-CA 3.46Å; L137-F140 WeakPolarHBondContact O-CB 3.44Å; L137-F140 PolarHBondContact O-N 3.24Å; C138-F140 VanDerWaalsContact C-N 3.26Å; C138-F140 PolarHBondContact O-N 3.21Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-K143 PolarHBondContact O-N 3.11Å; F140-K143 VanDerWaalsContact O-N 3.15Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.49Å; F140-N144 PolarHBondContact O-N 2.88Å; F140-N144 PolarHBondContact O-ND2 3.2Å
141I78.6Confident62.1Low2 Ų283.6 Ų83.61%0.0146%0.458CS..Hα-helixtrans-63.6-38.4175-65.5166.3000110.6Y52 L109 V111 I118 L137 C138 K143 N144Y52-I141 HydrophobicContact CD1-CG1 4.18Å; Y52-I141 HydrophobicContact CD2-CD1 4.38Å; Y52-I141 HydrophobicContact CD2-CG1 4.13Å; Y52-I141 HydrophobicContact CE1-CG1 4.01Å; Y52-I141 HydrophobicContact CE2-CD1 4.45Å; Y52-I141 HydrophobicContact CE2-CG1 3.96Å; Y52-I141 HydrophobicContact CE2-CG2 4.27Å; Y52-I141 HydrophobicContact CG-CG1 4.24Å; L109-I141 HydrophobicContact CD2-CD1 4.33Å; L109-I141 HydrophobicContact CD2-CG2 3.8Å; V111-I141 HydrophobicContact CG2-CG2 3.64Å; I118-I141 HydrophobicContact CD1-CB 3.85Å; I118-I141 HydrophobicContact CD1-CD1 4.32Å; I118-I141 HydrophobicContact CD1-CG2 3.75Å; I118-I141 HydrophobicContact CG1-CG2 4.19Å; I118-I141 HydrophobicContact CG2-CG2 4.43Å; L137-I141 HydrophobicContact CD2-CD1 4.11Å; L137-I141 HydrophobicContact CG-CD1 3.86Å; L137-I141 HydrophobicContact CG-CG1 4.18Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 2.83Å; C138-I141 PolarHBondContact O-N 3.25Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.05Å; I141-N144 CarbonylContact O-C 3.22Å; I141-N144 PolarHBondContact O-N 3.43Å; I141-N144 VanDerWaalsContact O-O 3.13Å
142L72.1Confident60.1Low32 Ų3285 Ų8517%0.16848%0.479CS..Hα-helixtrans-62.9-33173.5-78.3161.7000113.1V111 Q116 I118 C138 F140V111-L142 HydrophobicContact CG1-CD2 4.18Å; Q116-L142 HydrophobicContact CB-CD2 4.4Å; I118-L142 HydrophobicContact CD1-CG 4.42Å; I118-L142 HydrophobicContact CG1-CD2 4.45Å; I118-L142 HydrophobicContact CG1-CG 4.28Å; C138-L142 WeakPolarHBondContact O-CG 3.43Å; C138-L142 PolarHBondContact O-N 2.89Å; F140-L142 VanDerWaalsContact C-N 3.31Å
143K69.5Low58.5Low156 Ų15687.1 Ų87.168%0.67850%0.495SS*.Hα-helixtrans-83.2-23.5179.9-73177.8-179-177.70113.4T139 F140 I141T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.46Å; F140-K143 PolarHBondContact O-N 3.11Å; F140-K143 VanDerWaalsContact O-N 3.15Å; I141-K143 VanDerWaalsContact C-N 3.27Å; I141-K143 PolarHBondContact O-N 3.05Å
144N67.5Low56.9Low79 Ų7986 Ų8642%0.42250%0.504SS..SBendtrans-13079.9177.8-63-86000108Y52 F140 I141Y52-N144 PolarHBondContact OH-O 3.35Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.49Å; F140-N144 PolarHBondContact O-N 2.88Å; F140-N144 PolarHBondContact O-ND2 3.2Å; I141-N144 CarbonylContact O-C 3.22Å; I141-N144 PolarHBondContact O-N 3.43Å; I141-N144 VanDerWaalsContact O-O 3.13Å
145P65.6Low55.2Low75 Ų7589.5 Ų89.549%0.48751%0.512SS..  trans-57.3141.817524-32.2000109.4V111 E147V111-P145 HydrophobicContact CB-CB 4.28Å; V111-P145 HydrophobicContact CG1-CB 4.46Å; P145-E147 PolarHBondContact O-N 2.94Å
146P57.3Low53.3Low41 Ų4197.8 Ų97.827%0.26655%0.548SS..  trans-60133.7175.226.9-30.7000107.9Y52 V111 S148Y52-P146 WeakPolarHBondContact OH-CD 3.4Å; V111-P146 HydrophobicContact CG2-CG 4.35Å; P146-S148 PolarHBondContact O-N 2.99Å
147E51.3Low51.3Low196 Ų19699.6 Ų99.692%0.91656%0.559SS**  trans-56.4104.4178.4-71.5-173.3147.800108.9P145 S149P145-E147 PolarHBondContact O-N 2.94Å; E147-S149 PolarHBondContact O-N 3.3Å; E147-S149 VanDerWaalsContact O-N 3.16Å
148S41.2Very low49Very low104 Ų104108.4 Ų108.473%0.72760%0.597SS**  trans-66.3111.5167.452.80000107.1P146 D150P146-S148 PolarHBondContact O-N 2.99Å; S148-D150 PolarHBondContact O-N 3.15Å
149S33.9Very low46.8Very low112 Ų112114.8 Ų114.878%0.78363%0.627SS**  trans-64.884.6158.856.50000108.2E147 T151E147-S149 PolarHBondContact O-N 3.3Å; E147-S149 VanDerWaalsContact O-N 3.16Å; S149-T151 PolarHBondContact O-N 3.41Å; S149-T151 VanDerWaalsContact O-N 3.09Å
150D30.9Very low44.5Very low140 Ų140121.2 Ų121.275%0.74965%0.648SS**  trans-76.891.6170.4-167.925.7000108.4S148 G152S148-D150 PolarHBondContact O-N 3.15Å; D150-G152 PolarHBondContact O-N 2.85Å
151T33Very low42.1Very low137 Ų137128 Ų12884%0.8468%0.678SS**  trans-6983.8159.841.90000108.6S149S149-T151 PolarHBondContact O-N 3.41Å; S149-T151 VanDerWaalsContact O-N 3.09Å
152G29.2Very low39.5Very low54 Ų54135.5 Ų135.556%0.55772%0.718SS**  trans-107.1112.3168.600000110.9D150 G154D150-G152 PolarHBondContact O-N 2.85Å; G152-G154 PolarHBondContact O-N 3.04Å
153T29.7Very low37.4Very low144 Ų144145.7 Ų145.788%0.88375%0.754SS**  trans-35.8126.8168.843.20000115.5
154G29.8Very low35.4Very low79 Ų79148.1 Ų148.181%0.81476%0.764SS**  trans44.498.2142.200000119.4G152G152-G154 PolarHBondContact O-N 3.04Å
155K27.6Very low33.3Very low210 Ų210147.7 Ų147.791%0.91378%0.778SS**  trans-140.6112.9143-133.1173.9-175177.50110.6E157K155-E157 PolarHBondContact O-N 3.22Å
156K31.6Very low31.4Very low209 Ų209154 Ų15491%0.90980%0.798SS**  trans-52.6126.1165.1-79.4171.6172.6168.70109
157E28.6Very low29.8Very low199 Ų199159.3 Ų159.393%0.9383%0.825SS**  trans-131.8129.7146-125.3178.3162.700109.9K155K155-E157 PolarHBondContact O-N 3.22Å
158K28.2Very low28.6Very low184 Ų184160 Ų16080%0.883%0.825SS**  trans-97.8134.6-163.7-138.9-176.8-176.4-174.20108.5
159E25.9Very low27.8Very low139 Ų139163.6 Ų163.665%0.6583%0.83SS**  trans60.6120.3148.3-94.3178.311600120.1
160K27.7Very low27.2Very low214 Ų214165.7 Ų165.793%0.9383%0.832SS**  -150.6107.3110.5-109.8170-1721750113.2
161K25.2Very low26.8Very low183 Ų183162.3 Ų162.380%0.79683%0.83SS**  trans-45.6128163.3-141.8175.6-173.3172.70111.9
162N24.6Very low26.4Very low159 Ų159161.5 Ų161.585%0.8583%0.83SS**  trans-159.895.3139.6-131.3-0000112.3
163R27.5Very low26.1Very low246 Ų246165.5 Ų165.593%0.92884%0.844SS**  trans-15494.2151.6-115.9176.2176.3175.2-1.4109.8
164K26.3Very low26Very low206 Ų206164.3 Ų164.390%0.89684%0.841SS**  trans-59.9126.6149.7-157.5177.4-174.4178.80105.4
165G23.9Very low25.8Very low70 Ų70165.7 Ų165.772%0.72284%0.838SS**  cis128.7112.820.600000106.3
166K25.7Very low25.8Very low209 Ų209163.5 Ų163.591%0.90984%0.836SS**  trans-175.7119.8141.2-135.6170.3178.1174.90112.2
167D23.5Very low25.6Very low152 Ų152162.3 Ų162.381%0.81383%0.834SS**  trans-55.1149.9167.6-62.2-85.4000114.3
168K27.6Very low25.8Very low211 Ų211159.2 Ų159.292%0.91783%0.829SS**  -162120.4121.7-107.2179.6-177.9-173.40111.8
169E22.9Very low26.2Very low178 Ų178155.9 Ų155.983%0.83283%0.826SS**  trans-66135.1166.9-170.1180-179.700111.2
170N22.1Very low26.8Very low157 Ų157154.9 Ų154.984%0.8483%0.832SS**  -179.1143.1118.1-119.9-14.5000112
171G21.6Very low27.3Very low69 Ų69150.4 Ų150.471%0.71183%0.825SS**  trans-79.8170.9-172.600000116.3
172S24.4Very low28Very low119 Ų119147.4 Ų147.483%0.83282%0.824SS**  trans-170.3124.6142.933.30000111.2
173V23.6Very low28.7Very low139 Ų139145.5 Ų145.584%0.84282%0.82SS**  trans-29138.2151.6-105.20000114.8
174S27.2Very low29.3Very low118 Ų118139.9 Ų139.983%0.82582%0.816SS**  trans-156.8104.8144-147.50000110.5
175S26.8Very low29.5Very low109 Ų109139.1 Ų139.176%0.76282%0.815SS**PPolyproline II helixtrans-89.6130.8165.5-560000107.4
176N27.6Very low29.9Very low163 Ų163145 Ų14587%0.87282%0.824SS**PPolyproline II helixtrans-100.1123.1174.3-129.315.3000109
177E27.4Very low30.2Very low184 Ų184143.1 Ų143.186%0.8682%0.822SS**PPolyproline II helixtrans-75.2141.4177.4-62-172.6116.500111.6
178T32.2Very low30.5Very low135 Ų135142 Ų14283%0.82882%0.821SS**  trans-149.7135.8149.9-31.10000108.2
179P37Very low31.1Very low113 Ų113137.5 Ų137.573%0.73481%0.813SS**PPolyproline II helixtrans-85.3157.9-163.2-3.322.5000113.5
180P37.9Very low31.6Very low119 Ų119135.1 Ų135.177%0.77381%0.813SS**PPolyproline II helixtrans-85.3154.818034-33.2000113.2
181P39.1Very low32Very low120 Ų120136.1 Ų136.178%0.77981%0.813SS**PPolyproline II helixtrans-83.1155.9171.333.4-31.8000112.8
182P38.8Very low32.8Very low120 Ų120138.6 Ų138.678%0.77981%0.814SS**PPolyproline II helixtrans-84.4166.3-175.334.1-34.2000114.7
183P39.9Very low33.1Very low118 Ų118140.1 Ų140.177%0.76682%0.818SS**PPolyproline II helixtrans-85.5170-165.134.7-34.7000115.1
184P39.4Very low33.5Very low129 Ų129141.3 Ų141.384%0.83881%0.814SS**PPolyproline II helixtrans-85.3136.8-16733.1-31.5000113
185E30.9Very low33.8Very low190 Ų190143.9 Ų143.989%0.88881%0.813SS**PPolyproline II helixtrans-94.4134.2173.4-75.6-177.2163.700111.8
186E32Very low34Very low194 Ų194147.3 Ų147.391%0.90782%0.817SS**PPolyproline II helixtrans-66.5137.3171.6-64.7176145.800111.4
187I32.5Very low34.8Very low169 Ų169147.1 Ų147.187%0.86782%0.816SS**  trans-132.5115.8162.4-56.1176.7000108.5
188T29Very low35.1Very low127 Ų127146.2 Ų146.278%0.77982%0.817SS**  trans-73.7156.5169.824.70000111.9
189P39.8Very low35.7Very low117 Ų117147 Ų14776%0.7682%0.816SS**  trans-92.4155.5-159.835.9-33.5000113.3
190P33.9Very low35.7Very low128 Ų128148.5 Ų148.583%0.83182%0.818SS**  trans-112149.1152.217.71.3000112.9
191Q31Very low36.4Very low179 Ų179154.3 Ų154.384%0.83683%0.825SS**  trans-83.5152.5-170.7-63.9-179.1-64.200113.8
192V38.2Very low36.6Very low121 Ų121150.5 Ų150.573%0.73381%0.808SS**  trans28.5121.7154-96.90000121.1
193V30.2Very low37Very low150 Ų150150.7 Ų150.791%0.90980%0.798SS**  trans-136.5134.9133.8-79.30000108.1
194E32Very low36.8Very low164 Ų164151.5 Ų151.577%0.76680%0.796SS**  trans-87.6162.2-175.4-60.6175.8140.100112.1
195E34.5Very low37.4Very low172 Ų172150.4 Ų150.480%0.80479%0.787SS**  trans73137.6160.5-37.5-169.6153.600116.6
196E31.2Very low39.1Very low181 Ų181145.3 Ų145.385%0.84677%0.769SS**  cis-148.8163.132.8-76.1171.7148.900112.6
197D43.2Very low40.4Very low160 Ų160143.5 Ų143.586%0.85676%0.761SS**  trans-13.4128.8174.3-74.9-43.7000120.2
198D35.3Very low41.9Very low165 Ų165141.1 Ų141.188%0.88275%0.746SS**  trans-143.2122.6143.7-121.6-15.5000109.3D200D198-D200 PolarHBondContact O-N 3.19Å; D198-D200 VanDerWaalsContact O-N 3.14Å
199D43.1Very low43.4Very low152 Ų152137.1 Ų137.181%0.81373%0.725SS**  trans-41106.3-179-95.6-62.8000113.9W201D199-W201 PolarHBondContact O-N 2.85Å
200D38.8Very low44.5Very low144 Ų144135.7 Ų135.777%0.7771%0.709SS**  trans-72.4100.6168.6-174.245.9000109.9D198 G202D198-D200 PolarHBondContact O-N 3.19Å; D198-D200 VanDerWaalsContact O-N 3.14Å; D200-G202 PolarHBondContact O-N 2.9Å
201W50.7Low46Very low240 Ų240137.7 Ų137.791%0.90970%0.699SS**  trans-70.546.9161.5-93.381.4000111.3D199 E203D199-W201 PolarHBondContact O-N 2.85Å; W201-E203 PolarHBondContact O-N 2.94Å
202G43.8Very low47.9Very low41 Ų41136.3 Ų136.342%0.42369%0.687SS.*  trans-81.191.8176.100000110.3D200 D204D200-G202 PolarHBondContact O-N 2.9Å; G202-D204 PolarHBondContact O-N 3.35Å; G202-D204 VanDerWaalsContact O-N 3.08Å
203E47.1Very low49.2Very low124 Ų124136.6 Ų136.658%0.57968%0.675SS**  trans-57115160.8-76.5-167.4175.400108.7W201 T205 R213W201-E203 PolarHBondContact O-N 2.94Å; E203-T205 PolarHBondContact O-N 3.09Å; E203-R213 IonicContact OE1-NH2 3.54Å; E203-R213 IonicContact OE2-CZ 3.84Å; E203-R213 IonicContact OE2-NH1 3.35Å; E203-R213 PolarHBondContact OE2-NH1 2.93Å; E203-R213 IonicContact OE2-NH2 3.98Å; E203-R213 PolarHBondContact OE2-NH2 3.48Å
204D36.5Very low50.6Low134 Ų134135 Ų13572%0.71766%0.658SS**  trans-39.9104.8-179.4-77.5-52.5000113.3G202 T206G202-D204 PolarHBondContact O-N 3.35Å; G202-D204 VanDerWaalsContact O-N 3.08Å; D204-T206 PolarHBondContact O-N 3.24Å; D204-T206 VanDerWaalsContact O-N 3.07Å
205T51.7Low52.4Low107 Ų107131.5 Ų131.566%0.65665%0.645SS**  trans-82.842.2174.657.90000112.1E203 E207E203-T205 PolarHBondContact O-N 3.09Å; T205-E207 PolarHBondContact O-N 3.17Å
206T65.6Low53.9Low83 Ų83129.9 Ų129.951%0.50964%0.638SS.*  trans-70.1129.3171.6-37.50000107.7D204 E208 A209 Q210D204-T206 PolarHBondContact O-N 3.24Å; D204-T206 VanDerWaalsContact O-N 3.07Å; T206-E208 PolarHBondContact O-N 3.31Å; T206-A209 PolarHBondContact O-N 2.92Å; T206-Q210 PolarHBondContact O-N 3.36Å; T206-Q210 VanDerWaalsContact O-N 3.16Å
207E59.3Low55.5Low156 Ų156127 Ų12773%0.72963%0.627SS**Hα-helixtrans-53-26.5-176.1-65.9-175.7154.900113.1T205 R211T205-E207 PolarHBondContact O-N 3.17Å; E207-R211 WeakPolarHBondContact O-CB 3.36Å; E207-R211 PolarHBondContact O-N 3.28Å
208E65Low56.6Low119 Ų119121 Ų12156%0.55660%0.597SS**Hα-helixtrans-72.8-36.8176.1-158.4-178.5156.100113.2T206 R212T206-E208 PolarHBondContact O-N 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.39Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 2.82Å; E208-R212 IonicContact OE1-NH2 2.76Å; E208-R212 PolarHBondContact OE1-NH2 3.44Å
209A60.1Low57.6Low42 Ų42117.6 Ų117.635%0.34758%0.579SS.*Hα-helixtrans-74.6-3517600000111.7T206 R212 R213T206-A209 PolarHBondContact O-N 2.92Å; A209-R212 PolarHBondContact O-N 3.29Å; A209-R213 PolarHBondContact O-N 3.22Å
210Q62.8Low58.4Low87 Ų87116.3 Ų116.341%0.40757%0.568SS.*Hα-helixtrans-67.9-37172-70.8-177.4-7.500112.1T206 M214T206-Q210 PolarHBondContact O-N 3.36Å; T206-Q210 VanDerWaalsContact O-N 3.16Å; Q210-M214 HydrophobicContact CB-CE 4.35Å; Q210-M214 VanDerWaalsContact O-CB 3.32Å; Q210-M214 WeakPolarHBondContact O-CB 3.39Å; Q210-M214 WeakPolarHBondContact O-CG 3.38Å; Q210-M214 PolarHBondContact O-N 3.34Å
211R66Low59.2Low170 Ų170111.4 Ų111.464%0.64255%0.547SS*.Hα-helixtrans-65.1-43.4171.3-94.2-174.6-155.4-171.27.3112.8E207 R213 M214 D215E207-R211 WeakPolarHBondContact O-CB 3.36Å; E207-R211 PolarHBondContact O-N 3.28Å; R211-R213 PolarHBondContact O-N 2.98Å; R211-M214 CarbonylContact O-C 3.39Å; R211-M214 PolarHBondContact O-N 3.43Å; R211-D215 WeakPolarHBondContact O-CB 3.35Å; R211-D215 PolarHBondContact O-N 2.84Å
212R70.1Confident59.2Low150 Ų150105.9 Ų105.957%0.56653%0.53SS*.Hα-helixtrans-63.9-41177.2-70.6-179.1-168.2-174.17.3112E208 A209 D215 E216E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 3.39Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 2.82Å; E208-R212 IonicContact OE1-NH2 2.76Å; E208-R212 PolarHBondContact OE1-NH2 3.44Å; A209-R212 PolarHBondContact O-N 3.29Å; R212-D215 PolarHBondContact O-N 2.86Å; R212-E216 WeakPolarHBondContact O-CB 3.35Å; R212-E216 VanDerWaalsContact O-CG 3.31Å; R212-E216 WeakPolarHBondContact O-CG 3.42Å; R212-E216 PolarHBondContact O-N 3.28Å
213R67Low59.7Low128 Ų128111.1 Ų111.148%0.48355%0.548SS..Hα-helixtrans-64.4-40.9171.9-79.2177.8174.2170.2-10111.9E203 A209 R211 I217E203-R213 IonicContact OE1-NH2 3.54Å; E203-R213 IonicContact OE2-CZ 3.84Å; E203-R213 IonicContact OE2-NH1 3.35Å; E203-R213 PolarHBondContact OE2-NH1 2.93Å; E203-R213 IonicContact OE2-NH2 3.98Å; E203-R213 PolarHBondContact OE2-NH2 3.48Å; A209-R213 PolarHBondContact O-N 3.22Å; R211-R213 PolarHBondContact O-N 2.98Å; R213-I217 WeakPolarHBondContact O-CB 3.47Å; R213-I217 VanDerWaalsContact O-CD1 3.25Å; R213-I217 WeakPolarHBondContact O-CD1 3.48Å; R213-I217 WeakPolarHBondContact O-CG1 3.32Å; R213-I217 PolarHBondContact O-N 3.27Å
214M58.3Low60Low115 Ų115111.4 Ų111.457%0.56755%0.553SS**Hα-helixtrans-67.8-36.3175.9-79.5-170.7-75.700112.7Q210 R211 S218Q210-M214 HydrophobicContact CB-CE 4.35Å; Q210-M214 VanDerWaalsContact O-CB 3.32Å; Q210-M214 WeakPolarHBondContact O-CB 3.39Å; Q210-M214 WeakPolarHBondContact O-CG 3.38Å; Q210-M214 PolarHBondContact O-N 3.34Å; R211-M214 CarbonylContact O-C 3.39Å; R211-M214 PolarHBondContact O-N 3.43Å; M214-S218 WeakPolarHBondContact O-CA 3.46Å; M214-S218 WeakPolarHBondContact O-CB 3.32Å; M214-S218 PolarHBondContact O-N 3.26Å
215D69.5Low60.6Low92 Ų92110 Ų11049%0.49255%0.549SS..Hα-helixtrans-71.8-44.2177.6-77.7-15.6000110.7R211 R212 S218 D219R211-D215 WeakPolarHBondContact O-CB 3.35Å; R211-D215 PolarHBondContact O-N 2.84Å; R212-D215 PolarHBondContact O-N 2.86Å; D215-S218 CarbonylContact O-C 3.54Å; D215-S218 PolarHBondContact O-N 3.05Å; D215-S218 VanDerWaalsContact O-N 3.14Å; D215-S218 PolarHBondContact O-OG 3.42Å; D215-D219 WeakPolarHBondContact O-CB 3.44Å; D215-D219 PolarHBondContact O-N 3.44Å
216E66.3Low60.4Low138 Ų138110.2 Ų110.265%0.64555%0.546SS*.Hα-helixtrans-63.1-41.2173.5-75.2176178.900111.9R212 S218 H220R212-E216 WeakPolarHBondContact O-CB 3.35Å; R212-E216 VanDerWaalsContact O-CG 3.31Å; R212-E216 WeakPolarHBondContact O-CG 3.42Å; R212-E216 PolarHBondContact O-N 3.28Å; E216-S218 VanDerWaalsContact C-N 3.35Å; E216-H220 WeakPolarHBondContact O-CB 3.46Å; E216-H220 PolarHBondContact O-N 3.42Å
217I65.4Low59.6Low119 Ų119108.7 Ų108.761%0.6154%0.538SS*.Hα-helixtrans-67.8-36.5173.3-68.2165.1000110.3R213 A221R213-I217 WeakPolarHBondContact O-CB 3.47Å; R213-I217 VanDerWaalsContact O-CD1 3.25Å; R213-I217 WeakPolarHBondContact O-CD1 3.48Å; R213-I217 WeakPolarHBondContact O-CG1 3.32Å; R213-I217 PolarHBondContact O-N 3.27Å; I217-A221 WeakPolarHBondContact O-CA 3.47Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 3.33Å
218S65.9Low59.3Low35 Ų35108 Ų10825%0.24554%0.535CS..Hα-helixtrans-69.7-38.2177.791.20000112M214 D215 E216 A221 K222M214-S218 WeakPolarHBondContact O-CA 3.46Å; M214-S218 WeakPolarHBondContact O-CB 3.32Å; M214-S218 PolarHBondContact O-N 3.26Å; D215-S218 CarbonylContact O-C 3.54Å; D215-S218 PolarHBondContact O-N 3.05Å; D215-S218 VanDerWaalsContact O-N 3.14Å; D215-S218 PolarHBondContact O-OG 3.42Å; E216-S218 VanDerWaalsContact C-N 3.35Å; S218-A221 PolarHBondContact O-N 2.87Å; S218-K222 WeakPolarHBondContact O-CB 3.43Å; S218-K222 WeakPolarHBondContact O-CG 3.36Å; S218-K222 PolarHBondContact O-N 3.37Å; S218-K222 PolarHBondContact OG-NZ 3.02Å
219D56.3Low58.8Low93 Ų93103.5 Ų103.550%0.49752%0.515SS..Hα-helixtrans-76.4-37179.7-74.2-12.6000110.5D215 A221 K222 N223D215-D219 WeakPolarHBondContact O-CB 3.44Å; D215-D219 PolarHBondContact O-N 3.44Å; D219-A221 VanDerWaalsContact C-N 3.34Å; D219-K222 IonicContact OD1-NZ 3.03Å; D219-K222 PolarHBondContact OD1-NZ 3.03Å; D219-N223 WeakPolarHBondContact O-CB 3.43Å; D219-N223 PolarHBondContact O-N 3.07Å
220H60.3Low58.6Low126 Ų126105.5 Ų105.558%0.58352%0.519SS*.Hα-helixtrans-67.9-33.6169.9-165.2-89000112.1E216 L224E216-H220 WeakPolarHBondContact O-CB 3.46Å; E216-H220 PolarHBondContact O-N 3.42Å; H220-L224 WeakPolarHBondContact ND1-CD1 3.43Å; H220-L224 WeakPolarHBondContact O-CD1 3.39Å; H220-L224 WeakPolarHBondContact O-CG 3.49Å; H220-L224 PolarHBondContact O-N 2.82Å
221A54.7Low58.4Low40 Ų40108.2 Ų108.233%0.33153%0.532SS..Hα-helixtrans-71.7-44.4174.100000111.9I217 S218 D219 N223 L224 T225I217-A221 WeakPolarHBondContact O-CA 3.47Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 3.33Å; S218-A221 PolarHBondContact O-N 2.87Å; D219-A221 VanDerWaalsContact C-N 3.34Å; A221-N223 VanDerWaalsContact C-N 3.26Å; A221-N223 PolarHBondContact O-N 3.17Å; A221-L224 CarbonylContact O-C 3.59Å; A221-L224 WeakPolarHBondContact O-CA 3.35Å; A221-L224 PolarHBondContact O-N 3.49Å; A221-T225 PolarHBondContact O-N 3.38Å; A221-T225 PolarHBondContact O-OG1 2.99Å
222K51.2Low58.4Low124 Ų124105 Ų10554%0.53952%0.52SS..Hα-helixtrans-57.1-40.4173.4-75.1168.1-155.5155.20111.3S218 D219 L224S218-K222 WeakPolarHBondContact O-CB 3.43Å; S218-K222 WeakPolarHBondContact O-CG 3.36Å; S218-K222 PolarHBondContact O-N 3.37Å; S218-K222 PolarHBondContact OG-NZ 3.02Å; D219-K222 IonicContact OD1-NZ 3.03Å; D219-K222 PolarHBondContact OD1-NZ 3.03Å; K222-L224 PolarHBondContact O-N 2.84Å
223N54.4Low58.6Low152 Ų152101.7 Ų101.781%0.81352%0.517SS*.Hα-helixtrans-65.8-21.6174.2-11819.6000113.8D219 A221D219-N223 WeakPolarHBondContact O-CB 3.43Å; D219-N223 PolarHBondContact O-N 3.07Å; A221-N223 VanDerWaalsContact C-N 3.26Å; A221-N223 PolarHBondContact O-N 3.17Å
224L53Low58.8Low129 Ų12998.4 Ų98.468%0.67551%0.51SS*.Hα-helixtrans-100.1-23.8-177.7-78.7169000114.1H220 A221 K222H220-L224 WeakPolarHBondContact ND1-CD1 3.43Å; H220-L224 WeakPolarHBondContact O-CD1 3.39Å; H220-L224 WeakPolarHBondContact O-CG 3.49Å; H220-L224 PolarHBondContact O-N 2.82Å; A221-L224 CarbonylContact O-C 3.59Å; A221-L224 WeakPolarHBondContact O-CA 3.35Å; A221-L224 PolarHBondContact O-N 3.49Å; K222-L224 PolarHBondContact O-N 2.84Å
225T49.3Very low59.6Low104 Ų10497.2 Ų97.264%0.63850%0.503SS*.Hα-helixtrans-106.2-24.4-170.440.80000116.9A221A221-T225 PolarHBondContact O-N 3.38Å; A221-T225 PolarHBondContact O-OG1 2.99Å
226L47.4Very low60.2Low113 Ų11397.2 Ų97.259%0.59250%0.501SS*.  trans-153.5111.2179.8-71.2167.3000109.8E228L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 3.31Å
227S48.4Very low60.8Low50 Ų5092.3 Ų92.335%0.3548%0.476SS..  trans-65.3106.1155.546.90000107D229 L230S227-D229 PolarHBondContact O-N 3.13Å; S227-L230 PolarHBondContact O-N 2.97Å; S227-L230 WeakPolarHBondContact OG-CD1 3.31Å
228E54.4Low61.6Low141 Ų14187 Ų8766%0.65945%0.449SS*.THydrogen-bonded Turntrans-44.5-14.7177.7-146.3174.6-157.700114L226L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 3.31Å
229D53.1Low62.6Low26 Ų2687.6 Ų87.614%0.13945%0.45CS..THydrogen-bonded Turntrans-75.6-24176-68.9-35.3000115.5S227 E231 R232 R237 I240 R267 L268S227-D229 PolarHBondContact O-N 3.13Å; D229-E231 VanDerWaalsContact C-N 3.26Å; D229-E231 PolarHBondContact O-N 3.33Å; D229-R232 WeakPolarHBondContact O-CB 3.34Å; D229-R232 PolarHBondContact O-N 3.28Å; D229-R232 IonicContact OD1-CZ 2.69Å; D229-R232 IonicContact OD1-NE 3.91Å; D229-R232 IonicContact OD1-NH1 3.67Å; D229-R232 IonicContact OD1-NH2 3.74Å; D229-R237 VanDerWaalsContact O-CD 3.24Å; D229-R237 WeakPolarHBondContact O-CD 3.15Å; D229-R237 WeakPolarHBondContact O-CG 3.44Å; D229-I240 HydrophobicContact CB-CD1 4.49Å; D229-I240 WeakPolarHBondContact OD1-CD1 3.27Å; D229-R267 IonicContact OD2-CZ 3.52Å; D229-R267 VanDerWaalsContact OD2-CZ 3.26Å; D229-R267 IonicContact OD2-NH1 3.44Å; D229-R267 PolarHBondContact OD2-NH1 3.02Å; D229-R267 IonicContact OD2-NH2 2.82Å; D229-R267 PolarHBondContact OD2-NH2 2.76Å; D229-L268 HydrophobicContact CB-CD2 3.64Å
230L57.8Low64Low83 Ų8384.9 Ų84.944%0.43544%0.435SS..THydrogen-bonded Turntrans-71.7-24177.6-90.594.9000112.6S227 R232 R237 R267S227-L230 PolarHBondContact O-N 2.97Å; S227-L230 WeakPolarHBondContact OG-CD1 3.31Å; L230-R232 PolarHBondContact O-N 2.94Å; L230-R237 PolarHBondContact O-NH1 3.2Å; L230-R237 VanDerWaalsContact O-NH1 3.15Å; L230-R267 WeakPolarHBondContact CD1-O 3.15Å
231E56.7Low65.3Low144 Ų14478.9 Ų78.967%0.67341%0.407SS*.THydrogen-bonded Turntrans-78.2-9.9177.6-62.4-175.8176.200112.5D229D229-E231 VanDerWaalsContact C-N 3.26Å; D229-E231 PolarHBondContact O-N 3.33Å
232R66.6Low66.9Low103 Ų10379 Ų7939%0.38940%0.4SS..SBendtrans-80156.4178.7-62-174.2-174.6-175.43.8111.7D229 L230 E236 R237D229-R232 WeakPolarHBondContact O-CB 3.34Å; D229-R232 PolarHBondContact O-N 3.28Å; D229-R232 IonicContact OD1-CZ 2.69Å; D229-R232 IonicContact OD1-NE 3.91Å; D229-R232 IonicContact OD1-NH1 3.67Å; D229-R232 IonicContact OD1-NH2 3.74Å; L230-R232 PolarHBondContact O-N 2.94Å; R232-E236 HydrophobicContact CB-CB 3.99Å; R232-R237 HydrophobicContact CB-CG 4.27Å; R232-R237 PolarHBondContact O-NH1 3.26Å
233T74.9Confident68.7Low81 Ų8177.1 Ų77.150%0.49740%0.396SS..  trans-60.7153.8178.461.30000110.9E235 E236 R237T233-E235 PolarHBondContact O-N 2.67Å; T233-E235 VanDerWaalsContact O-N 3.14Å; T233-E236 PolarHBondContact N-OE2 3.08Å; T233-E236 PolarHBondContact O-N 2.97Å; T233-E236 VanDerWaalsContact O-N 3.08Å; T233-E236 VanDerWaalsContact OG1-CD 3.23Å; T233-E236 VanDerWaalsContact OG1-CG 3.25Å; T233-E236 WeakPolarHBondContact OG1-CG 3.14Å; T233-E236 PolarHBondContact OG1-N 3.49Å; T233-E236 PolarHBondContact OG1-OE2 3.37Å; T233-R237 WeakPolarHBondContact O-CG 3.41Å; T233-R237 PolarHBondContact O-N 2.7Å
234V71.6Confident70.3Confident58 Ų5872.4 Ų72.435%0.35237%0.369SS..Hα-helixtrans-54.7-36180-177.90000111.5R237 V238 V270V234-R237 PolarHBondContact O-N 2.86Å; V234-V238 WeakPolarHBondContact O-CG2 3.35Å; V234-V238 PolarHBondContact O-N 3.43Å; V234-V270 HydrophobicContact CG1-CG1 4.42Å
235E74.4Confident71.9Confident90 Ų9066.3 Ų66.342%0.42134%0.337SS..Hα-helixtrans-64.6-47.8177-175-177.4176.900112.2T233 R237 V238 N239T233-E235 PolarHBondContact O-N 2.67Å; T233-E235 VanDerWaalsContact O-N 3.14Å; E235-R237 VanDerWaalsContact C-N 3.29Å; E235-R237 PolarHBondContact O-N 3.07Å; E235-V238 PolarHBondContact O-N 2.88Å; E235-N239 WeakPolarHBondContact O-CB 3.42Å; E235-N239 PolarHBondContact O-N 3.3Å; E235-N239 PolarHBondContact O-ND2 2.9Å
236E81.2Confident73.8Confident92 Ų9266 Ų6643%0.4333%0.326SS..Hα-helixtrans-62.9-38.2177.4-71.7166143.900111.2R232 T233 N239 I240R232-E236 HydrophobicContact CB-CB 3.99Å; T233-E236 PolarHBondContact N-OE2 3.08Å; T233-E236 PolarHBondContact O-N 2.97Å; T233-E236 VanDerWaalsContact O-N 3.08Å; T233-E236 VanDerWaalsContact OG1-CD 3.23Å; T233-E236 VanDerWaalsContact OG1-CG 3.25Å; T233-E236 WeakPolarHBondContact OG1-CG 3.14Å; T233-E236 PolarHBondContact OG1-N 3.49Å; T233-E236 PolarHBondContact OG1-OE2 3.37Å; E236-N239 PolarHBondContact O-N 3.11Å; E236-I240 WeakPolarHBondContact O-CD1 3.5Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 2.87Å
237R80.8Confident75.8Confident35 Ų3566.5 Ų66.513%0.13232%0.324CS..Hα-helixtrans-63.9-41.7174.9-63.9-164.5-50.6-125.511112.2D229 L230 R232 T233 V234 E235 I240 L241 L268 V270D229-R237 VanDerWaalsContact O-CD 3.24Å; D229-R237 WeakPolarHBondContact O-CD 3.15Å; D229-R237 WeakPolarHBondContact O-CG 3.44Å; L230-R237 PolarHBondContact O-NH1 3.2Å; L230-R237 VanDerWaalsContact O-NH1 3.15Å; R232-R237 HydrophobicContact CB-CG 4.27Å; R232-R237 PolarHBondContact O-NH1 3.26Å; T233-R237 WeakPolarHBondContact O-CG 3.41Å; T233-R237 PolarHBondContact O-N 2.7Å; V234-R237 PolarHBondContact O-N 2.86Å; E235-R237 VanDerWaalsContact C-N 3.29Å; E235-R237 PolarHBondContact O-N 3.07Å; R237-I240 PolarHBondContact O-N 2.71Å; R237-L241 PolarHBondContact O-N 3.46Å; R237-L241 VanDerWaalsContact O-N 3.07Å; R237-L268 HydrophobicContact CB-CB 4.38Å; R237-L268 HydrophobicContact CB-CD2 4.41Å; R237-L268 VanDerWaalsContact CD-O 3.25Å; R237-L268 WeakPolarHBondContact CD-O 3.35Å; R237-L268 HydrophobicContact CG-CD2 4.42Å; R237-L268 PolarHBondContact NE-O 2.89Å; R237-V270 HydrophobicContact CB-CG1 4.09Å
238V82.3Confident77.6Confident8 Ų866.1 Ų66.15%0.04832%0.316CS..Hα-helixtrans-66.4-39.9174.9173.40000111.2V234 E235 L241 F242 V270 M273 V277V234-V238 WeakPolarHBondContact O-CG2 3.35Å; V234-V238 PolarHBondContact O-N 3.43Å; E235-V238 PolarHBondContact O-N 2.88Å; V238-L241 WeakPolarHBondContact O-CB 3.42Å; V238-L241 PolarHBondContact O-N 2.92Å; V238-F242 WeakPolarHBondContact O-CB 3.42Å; V238-F242 PolarHBondContact O-N 3.47Å; V238-V270 HydrophobicContact CG2-CB 4.3Å; V238-V270 HydrophobicContact CG2-CG1 3.98Å; V238-M273 HydrophobicContact CG2-CB 4.16Å; V238-M273 HydrophobicContact CG2-CG 4.11Å; V238-V277 HydrophobicContact CG1-CG2 3.91Å
239N86.2Confident79Confident48 Ų4864.6 Ų64.626%0.25731%0.307SS..Hα-helixtrans-65.2-37.9176.4-76.2-27.3000112.4E235 E236 F242 D243 Y403E235-N239 WeakPolarHBondContact O-CB 3.42Å; E235-N239 PolarHBondContact O-N 3.3Å; E235-N239 PolarHBondContact O-ND2 2.9Å; E236-N239 PolarHBondContact O-N 3.11Å; N239-F242 WeakPolarHBondContact O-CB 3.45Å; N239-F242 PolarHBondContact O-N 2.91Å; N239-D243 PolarHBondContact O-N 3.06Å; N239-Y403 WeakPolarHBondContact OD1-CE1 3.46Å; N239-Y403 PolarHBondContact OD1-OH 3.16Å
240I86.3Confident80.6Confident35 Ų3570.1 Ų70.118%0.17933%0.332CS..Hα-helixtrans-63-44173.5-67.2159.1000110.4D229 E236 R237 F242 D243 F244 L268D229-I240 HydrophobicContact CB-CD1 4.49Å; D229-I240 WeakPolarHBondContact OD1-CD1 3.27Å; E236-I240 WeakPolarHBondContact O-CD1 3.5Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 2.87Å; R237-I240 PolarHBondContact O-N 2.71Å; I240-F242 VanDerWaalsContact C-N 3.31Å; I240-F242 PolarHBondContact O-N 3.45Å; I240-D243 PolarHBondContact O-N 2.81Å; I240-F244 WeakPolarHBondContact O-CB 3.14Å; I240-F244 PolarHBondContact O-N 3.17Å; I240-L268 HydrophobicContact CB-CD1 4.31Å; I240-L268 HydrophobicContact CG2-CD1 4Å; I240-L268 HydrophobicContact CG2-CD2 4.32Å
241L87.3Confident81.9Confident1 Ų171.7 Ų71.71%0.00534%0.337CS..Hα-helixtrans-62.4-40.6174.8-176.264.2000111.2R237 V238 F244 V245 E264 A265 L268 V270 V277R237-L241 PolarHBondContact O-N 3.46Å; R237-L241 VanDerWaalsContact O-N 3.07Å; V238-L241 WeakPolarHBondContact O-CB 3.42Å; V238-L241 PolarHBondContact O-N 2.92Å; L241-F244 WeakPolarHBondContact O-CB 3.48Å; L241-F244 PolarHBondContact O-N 2.82Å; L241-V245 HydrophobicContact CD1-CG2 4.38Å; L241-V245 HydrophobicContact CG-CG2 4.49Å; L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.25Å; L241-E264 HydrophobicContact CD1-CB 4.3Å; L241-E264 HydrophobicContact CD1-CG 4.06Å; L241-A265 HydrophobicContact CD1-CB 4.12Å; L241-A265 HydrophobicContact CD2-CB 3.92Å; L241-L268 HydrophobicContact CB-CD1 3.93Å; L241-V270 HydrophobicContact CD2-CG2 3.99Å; L241-V277 HydrophobicContact CD2-CG2 4.24Å; L241-V277 HydrophobicContact CG-CG1 4.38Å
242F87.5Confident83Confident42 Ų4267.6 Ų67.618%0.18433%0.333CS..Hα-helixtrans-60.7-48.5176.5-175.7-92000111.8V238 N239 I240 F244 V245 K246 V277 E280 V281V238-F242 WeakPolarHBondContact O-CB 3.42Å; V238-F242 PolarHBondContact O-N 3.47Å; N239-F242 WeakPolarHBondContact O-CB 3.45Å; N239-F242 PolarHBondContact O-N 2.91Å; I240-F242 VanDerWaalsContact C-N 3.31Å; I240-F242 PolarHBondContact O-N 3.45Å; F242-F244 VanDerWaalsContact C-N 3.29Å; F242-F244 PolarHBondContact O-N 3.17Å; F242-V245 PolarHBondContact O-N 3.22Å; F242-K246 HydrophobicContact CE1-CD 4.29Å; F242-K246 VanDerWaalsContact O-CB 3.29Å; F242-K246 WeakPolarHBondContact O-CB 3.34Å; F242-K246 PolarHBondContact O-N 3.19Å; F242-V277 HydrophobicContact CB-CG1 4.21Å; F242-V277 HydrophobicContact CD2-CG1 4.05Å; F242-E280 HydrophobicContact CE2-CB 4.03Å; F242-E280 HydrophobicContact CE2-CG 3.6Å; F242-E280 HydrophobicContact CZ-CG 4.25Å; F242-V281 HydrophobicContact CD2-CG2 3.87Å; F242-V281 HydrophobicContact CE2-CG2 3.47Å; F242-V281 VanDerWaalsContact CE2-CG2 3.47Å; F242-V281 HydrophobicContact CZ-CG2 4.05Å
243D89.3Confident83.8Confident85 Ų8565.3 Ų65.346%0.45533%0.331SS..Hα-helixtrans-62.1-37.4176.2-80.6-15.7000112N239 I240 K247N239-D243 PolarHBondContact O-N 3.06Å; I240-D243 PolarHBondContact O-N 2.81Å; D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 VanDerWaalsContact O-CG 3.28Å; D243-K247 WeakPolarHBondContact O-CG 3.25Å; D243-K247 PolarHBondContact O-N 3.41Å
244F87.4Confident83.9Confident53 Ų5361.8 Ų61.823%0.23231%0.309CS..Hα-helixtrans-63.7-49.4175.5-177-96000111.9I240 L241 F242 K246 K247 K248 I261 E264I240-F244 WeakPolarHBondContact O-CB 3.14Å; I240-F244 PolarHBondContact O-N 3.17Å; L241-F244 WeakPolarHBondContact O-CB 3.48Å; L241-F244 PolarHBondContact O-N 2.82Å; F242-F244 VanDerWaalsContact C-N 3.29Å; F242-F244 PolarHBondContact O-N 3.17Å; F244-K246 VanDerWaalsContact C-N 3.32Å; F244-K246 PolarHBondContact O-N 3.16Å; F244-K247 PolarHBondContact O-N 3.22Å; F244-K248 HydrophobicContact CD1-CG 4.32Å; F244-K248 HydrophobicContact CE1-CG 4.01Å; F244-K248 HydrophobicContact CZ-CG 4.27Å; F244-K248 WeakPolarHBondContact O-CG 3.13Å; F244-K248 PolarHBondContact O-N 2.96Å; F244-I261 HydrophobicContact CE1-CG1 4.16Å; F244-E264 HydrophobicContact CB-CG 4.47Å; F244-E264 HydrophobicContact CD1-CB 4.22Å; F244-E264 HydrophobicContact CD1-CG 4.02Å; F244-E264 HydrophobicContact CD2-CG 4.31Å; F244-E264 HydrophobicContact CE1-CB 4.11Å; F244-E264 HydrophobicContact CE1-CG 4.31Å; F244-E264 HydrophobicContact CG-CG 4.02Å; F244-E264 HydrophobicContact CZ-CB 4.46Å
245V87Confident84.1Confident1 Ų162.2 Ų62.21%0.00631%0.309CS..Hα-helixtrans-65.6-37.5179.21790000110.8L241 F242 K248 K249 I254 I261 V277 L278 V281L241-V245 HydrophobicContact CD1-CG2 4.38Å; L241-V245 HydrophobicContact CG-CG2 4.49Å; L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.25Å; F242-V245 PolarHBondContact O-N 3.22Å; V245-K248 PolarHBondContact O-N 3.49Å; V245-K249 PolarHBondContact O-N 2.91Å; V245-I254 HydrophobicContact CG1-CD1 4.1Å; V245-I261 HydrophobicContact CG2-CD1 4.45Å; V245-I261 HydrophobicContact CG2-CG1 4.31Å; V245-I261 HydrophobicContact CG2-CG2 3.77Å; V245-V277 HydrophobicContact CB-CG1 4.18Å; V245-V277 HydrophobicContact CG2-CG1 4.01Å; V245-L278 HydrophobicContact CG1-CD2 4.13Å; V245-V281 HydrophobicContact CB-CG2 4.43Å; V245-V281 HydrophobicContact CG1-CB 3.92Å; V245-V281 HydrophobicContact CG1-CG1 3.85Å; V245-V281 HydrophobicContact CG1-CG2 4.06Å
246K89Confident84.4Confident97 Ų9762.9 Ų62.942%0.42232%0.319SS..Hα-helixtrans-62.9-46.6175-173.2177.8176.7-176.20112F242 F244 K248 K249 E250F242-K246 HydrophobicContact CE1-CD 4.29Å; F242-K246 VanDerWaalsContact O-CB 3.29Å; F242-K246 WeakPolarHBondContact O-CB 3.34Å; F242-K246 PolarHBondContact O-N 3.19Å; F244-K246 VanDerWaalsContact C-N 3.32Å; F244-K246 PolarHBondContact O-N 3.16Å; K246-K248 VanDerWaalsContact C-N 3.31Å; K246-K248 PolarHBondContact O-N 2.95Å; K246-K249 WeakPolarHBondContact O-CB 3.43Å; K246-K249 PolarHBondContact O-N 3.15Å; K246-K249 VanDerWaalsContact O-N 3.13Å; K246-E250 WeakPolarHBondContact CE-OE1 3.36Å; K246-E250 WeakPolarHBondContact O-CG 3.47Å; K246-E250 PolarHBondContact O-N 2.69Å
247K88.9Confident84.3Confident124 Ų12458.7 Ų58.754%0.53930%0.301SS..Hα-helixtrans-58.1-43.5173.4-75.5172.3-177173.10111.6D243 F244 K249 E250 E251D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 VanDerWaalsContact O-CG 3.28Å; D243-K247 WeakPolarHBondContact O-CG 3.25Å; D243-K247 PolarHBondContact O-N 3.41Å; F244-K247 PolarHBondContact O-N 3.22Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 3.17Å; K247-E250 PolarHBondContact O-N 3.1Å; K247-E250 VanDerWaalsContact O-N 3.17Å; K247-E251 WeakPolarHBondContact O-CB 3.15Å; K247-E251 WeakPolarHBondContact O-CG 3.15Å; K247-E251 PolarHBondContact O-N 3.11Å
248K86.2Confident84.3Confident41 Ų4157.4 Ų57.418%0.17830%0.296CS..Hα-helixtrans-64.7-30.3177.3-69.2-69165.8-153.80113.6F244 V245 K246 E251 G252 V253 I254F244-K248 HydrophobicContact CD1-CG 4.32Å; F244-K248 HydrophobicContact CE1-CG 4.01Å; F244-K248 HydrophobicContact CZ-CG 4.27Å; F244-K248 WeakPolarHBondContact O-CG 3.13Å; F244-K248 PolarHBondContact O-N 2.96Å; V245-K248 PolarHBondContact O-N 3.49Å; K246-K248 VanDerWaalsContact C-N 3.31Å; K246-K248 PolarHBondContact O-N 2.95Å; K248-E251 IonicContact NZ-OE2 3.02Å; K248-E251 PolarHBondContact NZ-OE2 3.45Å; K248-G252 PolarHBondContact O-N 3.16Å; K248-V253 HydrophobicContact CD-CG2 3.63Å; K248-V253 PolarHBondContact O-N 2.97Å; K248-I254 PolarHBondContact O-N 3.18Å
249K85Confident84.4Confident109 Ų10963.3 Ų63.347%0.47432%0.321SS..Hα-helixtrans-70-45171.4-176.3178176.2-178.80111.4V245 K246 K247 E251 G252 I254 V281V245-K249 PolarHBondContact O-N 2.91Å; K246-K249 WeakPolarHBondContact O-CB 3.43Å; K246-K249 PolarHBondContact O-N 3.15Å; K246-K249 VanDerWaalsContact O-N 3.13Å; K247-K249 VanDerWaalsContact C-N 3.28Å; K247-K249 PolarHBondContact O-N 3.17Å; K249-E251 VanDerWaalsContact C-N 3.33Å; K249-E251 PolarHBondContact O-N 3.43Å; K249-G252 PolarHBondContact O-N 3.19Å; K249-G252 VanDerWaalsContact O-N 3.12Å; K249-I254 HydrophobicContact CB-CD1 4.06Å; K249-V281 HydrophobicContact CB-CG1 4.09Å; K249-V281 HydrophobicContact CD-CG1 3.58Å; K249-V281 WeakPolarHBondContact CD-O 3.25Å; K249-V281 WeakPolarHBondContact CE-O 3.47Å; K249-V281 HydrophobicContact CG-CG1 4.45Å; K249-V281 PolarHBondContact NZ-O 3.36Å
250E86.1Confident84.4Confident143 Ų14365.1 Ų65.167%0.66833%0.331SS*.Hα-helixtrans-64.6-36.8178.3-70.5173.3-174.100112.3K246 K247 G252K246-E250 WeakPolarHBondContact CE-OE1 3.36Å; K246-E250 WeakPolarHBondContact O-CG 3.47Å; K246-E250 PolarHBondContact O-N 2.69Å; K247-E250 PolarHBondContact O-N 3.1Å; K247-E250 VanDerWaalsContact O-N 3.17Å; E250-G252 PolarHBondContact O-N 3.11Å
251E85.1Confident84.5Confident116 Ų11663.6 Ų63.654%0.54232%0.323SS..THydrogen-bonded Turntrans-71.5-13.2174.1-72.5172.9-177.400113.4K247 K248 K249 V253K247-E251 WeakPolarHBondContact O-CB 3.15Å; K247-E251 WeakPolarHBondContact O-CG 3.15Å; K247-E251 PolarHBondContact O-N 3.11Å; K248-E251 IonicContact NZ-OE2 3.02Å; K248-E251 PolarHBondContact NZ-OE2 3.45Å; K249-E251 VanDerWaalsContact C-N 3.33Å; K249-E251 PolarHBondContact O-N 3.43Å; E251-V253 HydrophobicContact CB-CG2 3.87Å; E251-V253 PolarHBondContact O-N 3.47Å
252G79.9Confident84.4Confident57 Ų5764.2 Ų64.259%0.58833%0.327SS*.THydrogen-bonded Turntrans70.48.7-179.300000115.1K248 K249 E250K248-G252 PolarHBondContact O-N 3.16Å; K249-G252 PolarHBondContact O-N 3.19Å; K249-G252 VanDerWaalsContact O-N 3.12Å; E250-G252 PolarHBondContact O-N 3.11Å
253V83.1Confident84.4Confident56 Ų5664.8 Ų64.834%0.33934%0.339SS..  trans-93.87.9-179-63.80000113.3K248 E251 D255 T256 S257K248-V253 HydrophobicContact CD-CG2 3.63Å; K248-V253 PolarHBondContact O-N 2.97Å; E251-V253 HydrophobicContact CB-CG2 3.87Å; E251-V253 PolarHBondContact O-N 3.47Å; V253-D255 VanDerWaalsContact C-N 3.26Å; V253-D255 PolarHBondContact O-N 3.29Å; V253-T256 PolarHBondContact O-N 3.47Å; V253-T256 PolarHBondContact O-OG1 3.32Å; V253-S257 WeakPolarHBondContact O-CB 3.25Å; V253-S257 PolarHBondContact O-N 3.27Å; V253-S257 PolarHBondContact O-OG 3.39Å
254I77.4Confident84.3Confident7 Ų762.2 Ų62.24%0.03632%0.324CS..THydrogen-bonded Turntrans-61.1-34-173.8-163.7144.9000112.6V245 K248 K249 T256 S257 I261 L282 Y294 H297V245-I254 HydrophobicContact CG1-CD1 4.1Å; K248-I254 PolarHBondContact O-N 3.18Å; K249-I254 HydrophobicContact CB-CD1 4.06Å; I254-T256 PolarHBondContact O-N 2.89Å; I254-T256 VanDerWaalsContact O-N 3.15Å; I254-S257 PolarHBondContact O-N 3.25Å; I254-I261 HydrophobicContact CG1-CD1 4.36Å; I254-L282 HydrophobicContact CD1-CD2 3.39Å; I254-L282 HydrophobicContact CD1-CG 4.26Å; I254-L282 HydrophobicContact CG1-CD2 4.02Å; I254-Y294 HydrophobicContact CG2-CE1 4.08Å; I254-H297 PolarHBondContact O-NE2 3.49Å
255D76.3Confident84.3Confident66 Ų6659.7 Ų59.735%0.35331%0.313SS..THydrogen-bonded Turntrans-63.1-23.5-177.7-68.7-22.2000113.5V253 K293 Y294 R296V253-D255 VanDerWaalsContact C-N 3.26Å; V253-D255 PolarHBondContact O-N 3.29Å; D255-K293 VanDerWaalsContact OD1-CE 3.27Å; D255-K293 WeakPolarHBondContact OD1-CE 3.43Å; D255-K293 IonicContact OD1-NZ 2.82Å; D255-K293 PolarHBondContact OD1-NZ 2.78Å; D255-K293 WeakPolarHBondContact OD2-CE 3.16Å; D255-K293 IonicContact OD2-NZ 3.52Å; D255-K293 PolarHBondContact OD2-NZ 3.27Å; D255-Y294 WeakPolarHBondContact OD1-CE1 3.33Å; D255-R296 PolarHBondContact O-NH2 2.98Å
256T79.8Confident84.3Confident104 Ų10464.4 Ų64.464%0.63834%0.335SS*.THydrogen-bonded Turntrans-110.2-12.9179.952.90000114.2V253 I254 D258V253-T256 PolarHBondContact O-N 3.47Å; V253-T256 PolarHBondContact O-OG1 3.32Å; I254-T256 PolarHBondContact O-N 2.89Å; I254-T256 VanDerWaalsContact O-N 3.15Å; T256-D258 VanDerWaalsContact C-N 3.25Å; T256-D258 PolarHBondContact O-N 3.09Å
257S79.6Confident84.2Confident5 Ų563.5 Ų63.54%0.03533%0.329CS..THydrogen-bonded Turntrans-88.922.6-173.7-53.70000113.2V253 I254 K259 D260 I261V253-S257 WeakPolarHBondContact O-CB 3.25Å; V253-S257 PolarHBondContact O-N 3.27Å; V253-S257 PolarHBondContact O-OG 3.39Å; I254-S257 PolarHBondContact O-N 3.25Å; S257-K259 VanDerWaalsContact C-N 3.26Å; S257-K259 PolarHBondContact O-N 3Å; S257-D260 PolarHBondContact O-N 3.12Å; S257-I261 VanDerWaalsContact O-CG1 3.32Å; S257-I261 WeakPolarHBondContact O-CG1 3.44Å; S257-I261 PolarHBondContact O-N 3.2Å; S257-I261 VanDerWaalsContact O-N 3.07Å
258D80.8Confident83.9Confident7 Ų757.6 Ų57.64%0.03730%0.304CS..Hα-helixtrans-62.1-32.8-178.152.3-56.9000112.9T256 V262 R296 R300T256-D258 VanDerWaalsContact C-N 3.25Å; T256-D258 PolarHBondContact O-N 3.09Å; D258-V262 VanDerWaalsContact O-CG2 3.24Å; D258-V262 WeakPolarHBondContact O-CG2 3.44Å; D258-R296 VanDerWaalsContact CG-NE 3.31Å; D258-R296 IonicContact OD1-CZ 3.94Å; D258-R296 IonicContact OD1-NE 3.32Å; D258-R296 PolarHBondContact OD1-NE 3.25Å; D258-R296 IonicContact OD1-NH2 3.12Å; D258-R296 PolarHBondContact OD1-NH2 2.81Å; D258-R296 IonicContact OD2-CZ 3.86Å; D258-R296 IonicContact OD2-NE 2.9Å; D258-R296 PolarHBondContact OD2-NE 3.47Å; D258-R296 IonicContact OD2-NH2 2.69Å; D258-R300 IonicContact OD2-CZ 3.93Å; D258-R300 IonicContact OD2-NE 2.65Å; D258-R300 PolarHBondContact OD2-NE 3.24Å; D258-R300 IonicContact OD2-NH2 2.94Å; D258-R300 PolarHBondContact OD2-NH2 2.97Å
259K85.4Confident83.6Confident133 Ų13361.2 Ų61.258%0.57833%0.325SS*.Hα-helixtrans-75.9-39.4176.2-65179.9-176.2177.20111.9S257 V262 A263S257-K259 VanDerWaalsContact C-N 3.26Å; S257-K259 PolarHBondContact O-N 3Å; K259-V262 PolarHBondContact O-N 3.31Å; K259-A263 WeakPolarHBondContact O-CB 3.45Å; K259-A263 PolarHBondContact O-N 2.9Å
260D86.1Confident83.7Confident86 Ų8656.3 Ų56.346%0.4630%0.304SS..Hα-helixtrans-67.8-39.2-176.5-56-23.2000110.9S257 V262 A263 E264S257-D260 PolarHBondContact O-N 3.12Å; D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.3Å; D260-A263 PolarHBondContact O-N 3.4Å; D260-E264 WeakPolarHBondContact O-CB 3.46Å; D260-E264 PolarHBondContact O-N 2.79Å
261I86.5Confident83.6Confident2 Ų253 Ų531%0.0129%0.288CS..Hα-helixtrans-65.2-37.6175.6-61.6165.4000111F244 V245 I254 S257 A265 L278 F301F244-I261 HydrophobicContact CE1-CG1 4.16Å; V245-I261 HydrophobicContact CG2-CD1 4.45Å; V245-I261 HydrophobicContact CG2-CG1 4.31Å; V245-I261 HydrophobicContact CG2-CG2 3.77Å; I254-I261 HydrophobicContact CG1-CD1 4.36Å; S257-I261 VanDerWaalsContact O-CG1 3.32Å; S257-I261 WeakPolarHBondContact O-CG1 3.44Å; S257-I261 PolarHBondContact O-N 3.2Å; S257-I261 VanDerWaalsContact O-N 3.07Å; I261-A265 WeakPolarHBondContact O-CB 3.18Å; I261-A265 PolarHBondContact O-N 3.01Å; I261-L278 HydrophobicContact CD1-CD2 4.37Å; I261-L278 HydrophobicContact CG2-CD2 4.32Å; I261-F301 HydrophobicContact CG2-CE2 4.14Å; I261-F301 HydrophobicContact CG2-CZ 3.98Å
262V87.2Confident83.7Confident15 Ų1548.2 Ų48.29%0.09127%0.267CS..Hα-helixtrans-68.6-44.3175.9174.40000111D258 K259 D260 E264 A265 E266 R300 F301D258-V262 VanDerWaalsContact O-CG2 3.24Å; D258-V262 WeakPolarHBondContact O-CG2 3.44Å; K259-V262 PolarHBondContact O-N 3.31Å; D260-V262 VanDerWaalsContact C-N 3.32Å; D260-V262 PolarHBondContact O-N 3.3Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 2.78Å; V262-A265 PolarHBondContact O-N 3.34Å; V262-E266 HydrophobicContact CG1-CG 4.44Å; V262-E266 WeakPolarHBondContact O-CB 3.24Å; V262-E266 WeakPolarHBondContact O-CG 3.37Å; V262-E266 PolarHBondContact O-N 3.03Å; V262-R300 HydrophobicContact CG2-CB 3.75Å; V262-F301 HydrophobicContact CB-CE1 4.42Å; V262-F301 HydrophobicContact CB-CZ 4.1Å; V262-F301 HydrophobicContact CG2-CD1 4.47Å; V262-F301 HydrophobicContact CG2-CD2 4.14Å; V262-F301 HydrophobicContact CG2-CE1 3.94Å; V262-F301 HydrophobicContact CG2-CE2 3.54Å; V262-F301 HydrophobicContact CG2-CZ 3.44Å; V262-F301 VanDerWaalsContact CG2-CZ 3.44Å
263A87.4Confident83.8Confident54 Ų5446.9 Ų46.945%0.44625%0.246SC..Hα-helixtrans-62-39.4177.600000111.6K259 D260 E266 R267K259-A263 WeakPolarHBondContact O-CB 3.45Å; K259-A263 PolarHBondContact O-N 2.9Å; D260-A263 PolarHBondContact O-N 3.4Å; A263-E266 PolarHBondContact O-N 2.99Å; A263-R267 WeakPolarHBondContact O-CB 3.48Å; A263-R267 PolarHBondContact O-N 3Å
264E85.9Confident84Confident30 Ų3044.3 Ų44.314%0.1423%0.231CC..Hα-helixtrans-68.7-41176.3-172.760.9-167.400111.9L241 F244 D260 V262 E266 R267 L268L241-E264 HydrophobicContact CD1-CB 4.3Å; L241-E264 HydrophobicContact CD1-CG 4.06Å; F244-E264 HydrophobicContact CB-CG 4.47Å; F244-E264 HydrophobicContact CD1-CB 4.22Å; F244-E264 HydrophobicContact CD1-CG 4.02Å; F244-E264 HydrophobicContact CD2-CG 4.31Å; F244-E264 HydrophobicContact CE1-CB 4.11Å; F244-E264 HydrophobicContact CE1-CG 4.31Å; F244-E264 HydrophobicContact CG-CG 4.02Å; F244-E264 HydrophobicContact CZ-CB 4.46Å; D260-E264 WeakPolarHBondContact O-CB 3.46Å; D260-E264 PolarHBondContact O-N 2.79Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 2.78Å; E264-E266 VanDerWaalsContact C-N 3.3Å; E264-E266 PolarHBondContact O-N 3.08Å; E264-R267 WeakPolarHBondContact O-CB 3.41Å; E264-R267 PolarHBondContact O-N 3.45Å; E264-R267 IonicContact OE1-CZ 2.81Å; E264-R267 IonicContact OE1-NE 3.68Å; E264-R267 PolarHBondContact OE1-NE 2.9Å; E264-R267 IonicContact OE1-NH2 3.78Å; E264-R267 PolarHBondContact OE1-NH2 3.33Å; E264-R267 IonicContact OE2-CZ 2.64Å; E264-R267 IonicContact OE2-NE 2.85Å; E264-R267 PolarHBondContact OE2-NE 3.23Å; E264-R267 IonicContact OE2-NH2 3.84Å; E264-L268 HydrophobicContact CG-CD1 4.06Å; E264-L268 WeakPolarHBondContact O-CB 3.03Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.44Å
265A87.3Confident84.6Confident0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-66.6-31.7174.600000112.9L241 I261 V262 D269 V270 K271 F301L241-A265 HydrophobicContact CD1-CB 4.12Å; L241-A265 HydrophobicContact CD2-CB 3.92Å; I261-A265 WeakPolarHBondContact O-CB 3.18Å; I261-A265 PolarHBondContact O-N 3.01Å; V262-A265 PolarHBondContact O-N 3.34Å; A265-D269 PolarHBondContact O-N 3.4Å; A265-V270 PolarHBondContact O-N 3.43Å; A265-K271 PolarHBondContact O-N 3.14Å; A265-F301 HydrophobicContact CB-CE1 3.74Å; A265-F301 HydrophobicContact CB-CZ 4.09Å
266E87.7Confident85.1Confident100 Ų10042 Ų4247%0.46722%0.219SC..Hα-helixtrans-71.1-41.5171.5-77.3176.7175.300111.5V262 A263 E264 L268 D269 K271V262-E266 HydrophobicContact CG1-CG 4.44Å; V262-E266 WeakPolarHBondContact O-CB 3.24Å; V262-E266 WeakPolarHBondContact O-CG 3.37Å; V262-E266 PolarHBondContact O-N 3.03Å; A263-E266 PolarHBondContact O-N 2.99Å; E264-E266 VanDerWaalsContact C-N 3.3Å; E264-E266 PolarHBondContact O-N 3.08Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 3.14Å; E266-D269 PolarHBondContact O-N 3.22Å; E266-K271 HydrophobicContact CG-CD 3.87Å; E266-K271 HydrophobicContact CG-CG 4.44Å; E266-K271 WeakPolarHBondContact OE1-CE 3.33Å; E266-K271 IonicContact OE1-NZ 2.91Å; E266-K271 PolarHBondContact OE1-NZ 3.01Å
267R85.7Confident85.5Confident79 Ų7937.3 Ų37.330%0.29819%0.19SC..Hα-helixtrans-59.8-39.4174.8-170.8-172.97484.3-4.6111.7D229 L230 A263 E264 D269D229-R267 IonicContact OD2-CZ 3.52Å; D229-R267 VanDerWaalsContact OD2-CZ 3.26Å; D229-R267 IonicContact OD2-NH1 3.44Å; D229-R267 PolarHBondContact OD2-NH1 3.02Å; D229-R267 IonicContact OD2-NH2 2.82Å; D229-R267 PolarHBondContact OD2-NH2 2.76Å; L230-R267 WeakPolarHBondContact CD1-O 3.15Å; A263-R267 WeakPolarHBondContact O-CB 3.48Å; A263-R267 PolarHBondContact O-N 3Å; E264-R267 WeakPolarHBondContact O-CB 3.41Å; E264-R267 PolarHBondContact O-N 3.45Å; E264-R267 IonicContact OE1-CZ 2.81Å; E264-R267 IonicContact OE1-NE 3.68Å; E264-R267 PolarHBondContact OE1-NE 2.9Å; E264-R267 IonicContact OE1-NH2 3.78Å; E264-R267 PolarHBondContact OE1-NH2 3.33Å; E264-R267 IonicContact OE2-CZ 2.64Å; E264-R267 IonicContact OE2-NE 2.85Å; E264-R267 PolarHBondContact OE2-NE 3.23Å; E264-R267 IonicContact OE2-NH2 3.84Å; R267-D269 VanDerWaalsContact C-N 3.32Å
268L82.7Confident85.9Confident0 Ų037.1 Ų37.10%019%0.188CC..THydrogen-bonded Turntrans-86.71.3-179.1-67.6169000113.7D229 R237 I240 L241 E264 E266 V270D229-L268 HydrophobicContact CB-CD2 3.64Å; R237-L268 HydrophobicContact CB-CB 4.38Å; R237-L268 HydrophobicContact CB-CD2 4.41Å; R237-L268 VanDerWaalsContact CD-O 3.25Å; R237-L268 WeakPolarHBondContact CD-O 3.35Å; R237-L268 HydrophobicContact CG-CD2 4.42Å; R237-L268 PolarHBondContact NE-O 2.89Å; I240-L268 HydrophobicContact CB-CD1 4.31Å; I240-L268 HydrophobicContact CG2-CD1 4Å; I240-L268 HydrophobicContact CG2-CD2 4.32Å; L241-L268 HydrophobicContact CB-CD1 3.93Å; E264-L268 HydrophobicContact CG-CD1 4.06Å; E264-L268 WeakPolarHBondContact O-CB 3.03Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.44Å; E266-L268 VanDerWaalsContact C-N 3.27Å; E266-L268 PolarHBondContact O-N 3.14Å; L268-V270 HydrophobicContact CB-CG2 3.69Å; L268-V270 PolarHBondContact O-N 2.75Å
269D81.6Confident86.3Confident116 Ų11636.8 Ų36.862%0.6219%0.186SC*.THydrogen-bonded Turntrans5235.7-176.5-161.432.5000113.8A265 E266 R267A265-D269 PolarHBondContact O-N 3.4Å; E266-D269 PolarHBondContact O-N 3.22Å; R267-D269 VanDerWaalsContact C-N 3.32Å
270V85.9Confident86.3Confident6 Ų633.7 Ų33.74%0.03617%0.174CC..  trans-124.529.2179.7-68.30000111.8V234 R237 V238 L241 A265 L268 A272 M273 G274V234-V270 HydrophobicContact CG1-CG1 4.42Å; R237-V270 HydrophobicContact CB-CG1 4.09Å; V238-V270 HydrophobicContact CG2-CB 4.3Å; V238-V270 HydrophobicContact CG2-CG1 3.98Å; L241-V270 HydrophobicContact CD2-CG2 3.99Å; A265-V270 PolarHBondContact O-N 3.43Å; L268-V270 HydrophobicContact CB-CG2 3.69Å; L268-V270 PolarHBondContact O-N 2.75Å; V270-A272 PolarHBondContact O-N 2.91Å; V270-A272 VanDerWaalsContact O-N 3.09Å; V270-M273 HydrophobicContact CB-CB 4.37Å; V270-M273 HydrophobicContact CB-CG 4.18Å; V270-M273 PolarHBondContact O-N 2.77Å; V270-G274 PolarHBondContact O-N 3.43Å
271K85.1Confident86.3Confident75 Ų7530 Ų3033%0.32616%0.155SC..G310 helixtrans-51.9-36.9-177.8-172.3176.1-176.2167.40113.5A265 E266 M273 G274 F301A265-K271 PolarHBondContact O-N 3.14Å; E266-K271 HydrophobicContact CG-CD 3.87Å; E266-K271 HydrophobicContact CG-CG 4.44Å; E266-K271 WeakPolarHBondContact OE1-CE 3.33Å; E266-K271 IonicContact OE1-NZ 2.91Å; E266-K271 PolarHBondContact OE1-NZ 3.01Å; K271-M273 VanDerWaalsContact C-N 3.32Å; K271-M273 PolarHBondContact O-N 2.78Å; K271-G274 PolarHBondContact O-N 3.08Å; K271-F301 HydrophobicContact CG-CD1 4.18Å; K271-F301 HydrophobicContact CG-CE1 4.36Å; K271-F301 WeakPolarHBondContact O-CD1 3.45Å
272A85.4Confident86.2Confident14 Ų1430.1 Ų30.112%0.11616%0.155CC..G310 helixtrans-68.5-28.5178.400000113.5V270 G274 P275 K307 A308 Y311V270-A272 PolarHBondContact O-N 2.91Å; V270-A272 VanDerWaalsContact O-N 3.09Å; A272-G274 VanDerWaalsContact C-N 3.33Å; A272-P275 WeakPolarHBondContact O-CD 3.34Å; A272-K307 HydrophobicContact CB-CB 4.31Å; A272-K307 HydrophobicContact CB-CD 3.89Å; A272-K307 HydrophobicContact CB-CG 3.9Å; A272-A308 WeakPolarHBondContact O-CA 3.45Å; A272-Y311 HydrophobicContact CB-CD2 4.1Å; A272-Y311 HydrophobicContact CB-CE2 4.12Å; A272-Y311 WeakPolarHBondContact O-CB 3.17Å; A272-Y311 WeakPolarHBondContact O-CD2 3.39Å
273M84.1Confident86.1Confident30 Ų3030.1 Ų30.115%0.14815%0.154CC..G310 helixtrans-84.1-11.1-179.2-46.2-55.6154.300112.5V238 V270 K271 L276 V277 Y311V238-M273 HydrophobicContact CG2-CB 4.16Å; V238-M273 HydrophobicContact CG2-CG 4.11Å; V270-M273 HydrophobicContact CB-CB 4.37Å; V270-M273 HydrophobicContact CB-CG 4.18Å; V270-M273 PolarHBondContact O-N 2.77Å; K271-M273 VanDerWaalsContact C-N 3.32Å; K271-M273 PolarHBondContact O-N 2.78Å; M273-L276 WeakPolarHBondContact O-CB 3.25Å; M273-L276 PolarHBondContact O-N 2.98Å; M273-V277 PolarHBondContact O-N 2.79Å; M273-Y311 HydrophobicContact CE-CD2 4.24Å; M273-Y311 HydrophobicContact CE-CE1 4.05Å; M273-Y311 HydrophobicContact CE-CE2 3.36Å; M273-Y311 WeakPolarHBondContact CE-OH 3.49Å; M273-Y311 HydrophobicContact SD-CD1 3.66Å; M273-Y311 HydrophobicContact SD-CD2 3.72Å; M273-Y311 HydrophobicContact SD-CE1 3.25Å; M273-Y311 WeakPolarHBondContact SD-CE1 3.3Å; M273-Y311 HydrophobicContact SD-CE2 3.32Å; M273-Y311 WeakPolarHBondContact SD-CE2 3.19Å; M273-Y311 HydrophobicContact SD-CG 3.89Å
274G86.1Confident85.8Confident1 Ų130.6 Ų30.61%0.0115%0.149CC..Hα-helixtrans-49.6-48.5-178.600000113.8V270 K271 A272 L276 V277 L278V270-G274 PolarHBondContact O-N 3.43Å; K271-G274 PolarHBondContact O-N 3.08Å; A272-G274 VanDerWaalsContact C-N 3.33Å; G274-L276 VanDerWaalsContact C-N 3.31Å; G274-L276 PolarHBondContact O-N 3.07Å; G274-V277 PolarHBondContact O-N 3Å; G274-L278 VanDerWaalsContact O-CG 3.31Å; G274-L278 WeakPolarHBondContact O-CG 3.41Å; G274-L278 PolarHBondContact O-N 3.48Å
275P89.4Confident85.4Confident0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-60.1-36.1177.9-27.237.2000114.2A272 L278 T279 F298 F301 A308 L312A272-P275 WeakPolarHBondContact O-CD 3.34Å; P275-L278 PolarHBondContact O-N 2.87Å; P275-T279 VanDerWaalsContact O-CG2 3.26Å; P275-T279 WeakPolarHBondContact O-CG2 3.49Å; P275-T279 PolarHBondContact O-N 2.74Å; P275-T279 PolarHBondContact O-OG1 3.44Å; P275-F298 HydrophobicContact CB-CD1 4.25Å; P275-F298 HydrophobicContact CB-CE1 4.39Å; P275-F301 HydrophobicContact CG-CB 3.68Å; P275-F301 HydrophobicContact CG-CG 4.34Å; P275-A308 HydrophobicContact CG-CB 3.98Å; P275-L312 HydrophobicContact CB-CB 3.79Å; P275-L312 HydrophobicContact CB-CD1 4.27Å
276L88.3Confident85.3Confident25 Ų2538.7 Ų38.713%0.13119%0.185CC..Hα-helixtrans-62.2-50.1176.8176.563.3000110.4M273 G274 L278 T279 E280 Y311 G315 Y360M273-L276 WeakPolarHBondContact O-CB 3.25Å; M273-L276 PolarHBondContact O-N 2.98Å; G274-L276 VanDerWaalsContact C-N 3.31Å; G274-L276 PolarHBondContact O-N 3.07Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.4Å; L276-T279 PolarHBondContact O-N 2.96Å; L276-T279 PolarHBondContact O-OG1 3.33Å; L276-E280 PolarHBondContact O-N 2.86Å; L276-E280 VanDerWaalsContact O-N 3.16Å; L276-Y311 HydrophobicContact CD2-CD1 4.4Å; L276-G315 VanDerWaalsContact CD1-CA 3.46Å; L276-Y360 HydrophobicContact CD2-CE1 4.41Å
277V87.8Confident85Confident5 Ų534 Ų343%0.0316%0.163CC..Hα-helixtrans-59.7-43.2176.4173.90000111.3V238 L241 F242 V245 M273 G274 T279 E280 V281V238-V277 HydrophobicContact CG1-CG2 3.91Å; L241-V277 HydrophobicContact CD2-CG2 4.24Å; L241-V277 HydrophobicContact CG-CG1 4.38Å; F242-V277 HydrophobicContact CB-CG1 4.21Å; F242-V277 HydrophobicContact CD2-CG1 4.05Å; V245-V277 HydrophobicContact CB-CG1 4.18Å; V245-V277 HydrophobicContact CG2-CG1 4.01Å; M273-V277 PolarHBondContact O-N 2.79Å; G274-V277 PolarHBondContact O-N 3Å; V277-T279 PolarHBondContact O-N 2.86Å; V277-E280 PolarHBondContact O-N 2.72Å; V277-V281 WeakPolarHBondContact O-CG2 3.11Å; V277-V281 PolarHBondContact O-N 2.64Å; V277-V281 VanDerWaalsContact O-N 3.12Å
278L87.4Confident84.8Confident1 Ų135.2 Ų35.21%0.00517%0.168CC..Hα-helixtrans-62.9-41.4178.1-72.3175000112.1V245 I261 G274 P275 L276 V281 L282 H297 F298 F301V245-L278 HydrophobicContact CG1-CD2 4.13Å; I261-L278 HydrophobicContact CD1-CD2 4.37Å; I261-L278 HydrophobicContact CG2-CD2 4.32Å; G274-L278 VanDerWaalsContact O-CG 3.31Å; G274-L278 WeakPolarHBondContact O-CG 3.41Å; G274-L278 PolarHBondContact O-N 3.48Å; P275-L278 PolarHBondContact O-N 2.87Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.4Å; L278-V281 PolarHBondContact O-N 3.06Å; L278-L282 HydrophobicContact CB-CD1 4.33Å; L278-L282 HydrophobicContact CD2-CD1 3.85Å; L278-L282 WeakPolarHBondContact O-CB 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.04Å; L278-L282 PolarHBondContact O-N 3.19Å; L278-H297 HydrophobicContact CD1-CB 4.38Å; L278-F298 HydrophobicContact CB-CD1 4.39Å; L278-F298 HydrophobicContact CB-CE1 3.54Å; L278-F298 HydrophobicContact CB-CE2 4.47Å; L278-F298 HydrophobicContact CB-CZ 3.59Å; L278-F298 HydrophobicContact CD1-CD1 4.2Å; L278-F298 HydrophobicContact CD1-CE1 4.15Å; L278-F301 HydrophobicContact CD1-CD2 3.64Å; L278-F301 HydrophobicContact CD1-CE2 3.68Å
279T88.3Confident85Confident0 Ų041.7 Ų41.70%020%0.198CC..Hα-helixtrans-63.4-42.8177.955.40000112.4P275 L276 V277 V281 F283 F298 L312 G315P275-T279 VanDerWaalsContact O-CG2 3.26Å; P275-T279 WeakPolarHBondContact O-CG2 3.49Å; P275-T279 PolarHBondContact O-N 2.74Å; P275-T279 PolarHBondContact O-OG1 3.44Å; L276-T279 PolarHBondContact O-N 2.96Å; L276-T279 PolarHBondContact O-OG1 3.33Å; V277-T279 PolarHBondContact O-N 2.86Å; T279-V281 VanDerWaalsContact C-N 3.32Å; T279-V281 PolarHBondContact O-N 2.76Å; T279-F283 HydrophobicContact CG2-CD2 3.51Å; T279-F283 HydrophobicContact CG2-CE2 3.4Å; T279-F283 VanDerWaalsContact CG2-CE2 3.4Å; T279-F283 HydrophobicContact CG2-CZ 4.47Å; T279-F283 VanDerWaalsContact O-CB 3.28Å; T279-F283 WeakPolarHBondContact O-CB 3.48Å; T279-F283 PolarHBondContact O-N 3.48Å; T279-F298 HydrophobicContact CG2-CE1 3.82Å; T279-F298 HydrophobicContact CG2-CZ 4.03Å; T279-L312 HydrophobicContact CG2-CD1 3.48Å; T279-L312 VanDerWaalsContact CG2-CD1 3.48Å; T279-G315 WeakPolarHBondContact OG1-CA 3.45Å
280E85.8Confident85.2Confident68 Ų6837.4 Ų37.432%0.31817%0.174SC..Hα-helixtrans-64.2-38.5179.9-169.475.7-175.700111.6F242 L276 V277F242-E280 HydrophobicContact CE2-CB 4.03Å; F242-E280 HydrophobicContact CE2-CG 3.6Å; F242-E280 HydrophobicContact CZ-CG 4.25Å; L276-E280 PolarHBondContact O-N 2.86Å; L276-E280 VanDerWaalsContact O-N 3.16Å; V277-E280 PolarHBondContact O-N 2.72Å
281V86.7Confident85.2Confident9 Ų937.1 Ų37.16%0.05517%0.173CC..Hα-helixtrans-85.5-37.5-177.1-179.80000112.5F242 V245 K249 V277 L278 T279F242-V281 HydrophobicContact CD2-CG2 3.87Å; F242-V281 HydrophobicContact CE2-CG2 3.47Å; F242-V281 VanDerWaalsContact CE2-CG2 3.47Å; F242-V281 HydrophobicContact CZ-CG2 4.05Å; V245-V281 HydrophobicContact CB-CG2 4.43Å; V245-V281 HydrophobicContact CG1-CB 3.92Å; V245-V281 HydrophobicContact CG1-CG1 3.85Å; V245-V281 HydrophobicContact CG1-CG2 4.06Å; K249-V281 HydrophobicContact CB-CG1 4.09Å; K249-V281 HydrophobicContact CD-CG1 3.58Å; K249-V281 WeakPolarHBondContact CD-O 3.25Å; K249-V281 WeakPolarHBondContact CE-O 3.47Å; K249-V281 HydrophobicContact CG-CG1 4.45Å; K249-V281 PolarHBondContact NZ-O 3.36Å; V277-V281 WeakPolarHBondContact O-CG2 3.11Å; V277-V281 PolarHBondContact O-N 2.64Å; V277-V281 VanDerWaalsContact O-N 3.12Å; L278-V281 PolarHBondContact O-N 3.06Å; T279-V281 VanDerWaalsContact C-N 3.32Å; T279-V281 PolarHBondContact O-N 2.76Å
282L83.7Confident85.3Confident5 Ų541.7 Ų41.73%0.02619%0.188CC..Hα-helixtrans-99.1-26.4-169.7-65177.3000114.5I254 L278 Q290 Y294 F298I254-L282 HydrophobicContact CD1-CD2 3.39Å; I254-L282 HydrophobicContact CD1-CG 4.26Å; I254-L282 HydrophobicContact CG1-CD2 4.02Å; L278-L282 HydrophobicContact CB-CD1 4.33Å; L278-L282 HydrophobicContact CD2-CD1 3.85Å; L278-L282 WeakPolarHBondContact O-CB 3.37Å; L278-L282 WeakPolarHBondContact O-CG 3.04Å; L278-L282 PolarHBondContact O-N 3.19Å; L282-Q290 VanDerWaalsContact O-CD 3.28Å; L282-Q290 PolarHBondContact O-NE2 3Å; L282-Q290 PolarHBondContact O-OE1 3.46Å; L282-Y294 HydrophobicContact CB-CD2 4.07Å; L282-Y294 HydrophobicContact CB-CE2 4.13Å; L282-Y294 HydrophobicContact CD1-CD1 3.97Å; L282-Y294 HydrophobicContact CD1-CD2 4.05Å; L282-Y294 HydrophobicContact CD1-CE1 4.39Å; L282-Y294 HydrophobicContact CD1-CE2 4.46Å; L282-Y294 HydrophobicContact CD1-CG 3.79Å; L282-Y294 HydrophobicContact CD2-CD1 4.42Å; L282-Y294 HydrophobicContact CD2-CD2 4.36Å; L282-Y294 HydrophobicContact CD2-CE1 4.02Å; L282-Y294 HydrophobicContact CD2-CE2 3.93Å; L282-Y294 HydrophobicContact CG-CD2 4.41Å; L282-Y294 HydrophobicContact CG-CE2 4.43Å; L282-F298 HydrophobicContact CD1-CE2 4.48Å
283F85.4Confident85.4Confident15 Ų1546.5 Ų46.57%0.06621%0.206CC..  trans-94.1140.5-175.1-63.6-24.8000112.8T279 I287 Q290 I291 F298 V319 M338T279-F283 HydrophobicContact CG2-CD2 3.51Å; T279-F283 HydrophobicContact CG2-CE2 3.4Å; T279-F283 VanDerWaalsContact CG2-CE2 3.4Å; T279-F283 HydrophobicContact CG2-CZ 4.47Å; T279-F283 VanDerWaalsContact O-CB 3.28Å; T279-F283 WeakPolarHBondContact O-CB 3.48Å; T279-F283 PolarHBondContact O-N 3.48Å; F283-I287 HydrophobicContact CB-CD1 4.37Å; F283-I287 HydrophobicContact CB-CG1 4.24Å; F283-I287 HydrophobicContact CD1-CG1 4.13Å; F283-I287 HydrophobicContact CD2-CD1 3.72Å; F283-I287 HydrophobicContact CD2-CG1 3.89Å; F283-I287 HydrophobicContact CE1-CG1 4.43Å; F283-I287 HydrophobicContact CE2-CD1 4.13Å; F283-I287 HydrophobicContact CE2-CG1 4.19Å; F283-I287 HydrophobicContact CG-CD1 4.1Å; F283-I287 HydrophobicContact CG-CG1 3.85Å; F283-I287 HydrophobicContact CZ-CG1 4.45Å; F283-Q290 VanDerWaalsContact CA-OE1 3.3Å; F283-Q290 HydrophobicContact CD1-CB 3.73Å; F283-Q290 HydrophobicContact CE1-CB 3.93Å; F283-I291 HydrophobicContact CE1-CG1 4.06Å; F283-I291 HydrophobicContact CE2-CG1 4.49Å; F283-I291 HydrophobicContact CZ-CG1 3.75Å; F283-F298 AromaticContact CE1-CE2 3.65Å; F283-F298 HydrophobicContact CE1-CE2 3.65Å; F283-F298 AromaticContact CE1-CZ 3.94Å; F283-F298 HydrophobicContact CE1-CZ 3.94Å; F283-F298 HydrophobicContact CE2-CE1 4.39Å; F283-F298 HydrophobicContact CE2-CE2 4.18Å; F283-F298 AromaticContact CE2-CZ 3.75Å; F283-F298 HydrophobicContact CE2-CZ 3.75Å; F283-F298 HydrophobicContact CZ-CD2 4.2Å; F283-F298 HydrophobicContact CZ-CE1 4.28Å; F283-F298 AromaticContact CZ-CE2 3.34Å; F283-F298 HydrophobicContact CZ-CE2 3.34Å; F283-F298 AromaticContact CZ-CZ 3.38Å; F283-F298 HydrophobicContact CZ-CZ 3.38Å; F283-V319 HydrophobicContact CB-CG1 4.2Å; F283-V319 HydrophobicContact CB-CG2 3.97Å; F283-V319 HydrophobicContact CD2-CG2 4.47Å; F283-M338 HydrophobicContact CE2-CE 4.15Å
284D82.1Confident85.6Confident64 Ų6446.2 Ų46.234%0.34220%0.204SC..SBendtrans-137.8-157.3171.66323.9000110.1K286 I287 Q290D284-K286 PolarHBondContact O-N 3.04Å; D284-K286 WeakPolarHBondContact OD1-CA 3.17Å; D284-K286 WeakPolarHBondContact OD1-CB 3.49Å; D284-K286 PolarHBondContact OD1-N 2.79Å; D284-I287 PolarHBondContact O-N 2.83Å; D284-Q290 VanDerWaalsContact OD1-CD 3.31Å; D284-Q290 PolarHBondContact OD1-NE2 2.98Å; D284-Q290 PolarHBondContact OD1-OE1 2.84Å; D284-Q290 PolarHBondContact OD2-NE2 3.16Å
285E77.6Confident85.6Confident85 Ų8550.5 Ų50.540%0.39722%0.219SC..THydrogen-bonded Turntrans-54.2-21.5174.251174.2-150.500114.8Q326E285-Q326 PolarHBondContact OE2-NE2 2.64Å; E285-Q326 VanDerWaalsContact OE2-NE2 3.08Å; E285-Q326 PolarHBondContact OE2-OE1 2.99Å
286K83.5Confident85.5Confident115 Ų11556.3 Ų56.350%0.524%0.241SC..THydrogen-bonded Turntrans-102.734.6179.1-60.2-178.7-173.2175.30113.2D284 R288 E289 Q290D284-K286 PolarHBondContact O-N 3.04Å; D284-K286 WeakPolarHBondContact OD1-CA 3.17Å; D284-K286 WeakPolarHBondContact OD1-CB 3.49Å; D284-K286 PolarHBondContact OD1-N 2.79Å; K286-R288 PolarHBondContact O-N 3.46Å; K286-E289 PolarHBondContact O-N 3.15Å; K286-Q290 PolarHBondContact O-N 3.14Å
287I82Confident85.5Confident1 Ų155.3 Ų55.31%0.00524%0.236CC..Hα-helixtrans-45.8-37.7178.4-168.4168.4000114.3F283 D284 E289 Q290 I291 F316 V319 L327 I334 M338F283-I287 HydrophobicContact CB-CD1 4.37Å; F283-I287 HydrophobicContact CB-CG1 4.24Å; F283-I287 HydrophobicContact CD1-CG1 4.13Å; F283-I287 HydrophobicContact CD2-CD1 3.72Å; F283-I287 HydrophobicContact CD2-CG1 3.89Å; F283-I287 HydrophobicContact CE1-CG1 4.43Å; F283-I287 HydrophobicContact CE2-CD1 4.13Å; F283-I287 HydrophobicContact CE2-CG1 4.19Å; F283-I287 HydrophobicContact CG-CD1 4.1Å; F283-I287 HydrophobicContact CG-CG1 3.85Å; F283-I287 HydrophobicContact CZ-CG1 4.45Å; D284-I287 PolarHBondContact O-N 2.83Å; I287-E289 PolarHBondContact O-N 3.17Å; I287-Q290 PolarHBondContact O-N 3.17Å; I287-I291 HydrophobicContact CG1-CD1 3.84Å; I287-I291 HydrophobicContact CG1-CG1 4.12Å; I287-I291 WeakPolarHBondContact O-CD1 3.32Å; I287-I291 WeakPolarHBondContact O-CG1 3.34Å; I287-I291 PolarHBondContact O-N 2.89Å; I287-F316 HydrophobicContact CD1-CD2 4Å; I287-F316 HydrophobicContact CD1-CE2 4.42Å; I287-V319 HydrophobicContact CD1-CG1 4.25Å; I287-L327 HydrophobicContact CG2-CD2 3.87Å; I287-I334 HydrophobicContact CD1-CG2 4.18Å; I287-I334 HydrophobicContact CG2-CD1 3.54Å; I287-I334 HydrophobicContact CG2-CG1 3.92Å; I287-I334 HydrophobicContact CG2-CG2 4.46Å; I287-M338 HydrophobicContact CD1-CE 4.11Å
288R82.1Confident85.5Confident105 Ų10555.1 Ų55.140%0.39624%0.235SC..Hα-helixtrans-61.3-41.6-179.5-64.7-170.560.9-159.9-1113.9K286 I334 E337K286-R288 PolarHBondContact O-N 3.46Å; R288-I334 HydrophobicContact CG-CG1 4Å; R288-E337 WeakPolarHBondContact CB-OE2 3.44Å; R288-E337 WeakPolarHBondContact CG-OE2 3.26Å; R288-E337 IonicContact CZ-OE1 3.8Å; R288-E337 VanDerWaalsContact CZ-OE1 3.32Å; R288-E337 IonicContact CZ-OE2 3.71Å; R288-E337 VanDerWaalsContact NE-CD 3.31Å; R288-E337 IonicContact NE-OE1 3.35Å; R288-E337 PolarHBondContact NE-OE1 3.08Å; R288-E337 VanDerWaalsContact NE-OE1 3.12Å; R288-E337 IonicContact NE-OE2 3.94Å; R288-E337 PolarHBondContact NE-OE2 3.27Å; R288-E337 IonicContact NH2-OE1 2.69Å; R288-E337 PolarHBondContact NH2-OE1 3.37Å; R288-E337 IonicContact NH2-OE2 2.81Å
289E86.4Confident85.6Confident135 Ų13557.3 Ų57.363%0.63125%0.246SC*.Hα-helixtrans-74.7-36.8177.9-66.7177.2-176.200110.3K286 I287 R292 K293K286-E289 PolarHBondContact O-N 3.15Å; I287-E289 PolarHBondContact O-N 3.17Å; E289-R292 PolarHBondContact O-N 3Å; E289-K293 PolarHBondContact O-N 3.22Å
290Q86.4Confident85.5Confident26 Ų2662 Ų6212%0.12126%0.264CS..Hα-helixtrans-70.4-36.1-179-70.6161.4-20.200113L282 F283 D284 K286 I287 R292 K293 Y294L282-Q290 VanDerWaalsContact O-CD 3.28Å; L282-Q290 PolarHBondContact O-NE2 3Å; L282-Q290 PolarHBondContact O-OE1 3.46Å; F283-Q290 VanDerWaalsContact CA-OE1 3.3Å; F283-Q290 HydrophobicContact CD1-CB 3.73Å; F283-Q290 HydrophobicContact CE1-CB 3.93Å; D284-Q290 VanDerWaalsContact OD1-CD 3.31Å; D284-Q290 PolarHBondContact OD1-NE2 2.98Å; D284-Q290 PolarHBondContact OD1-OE1 2.84Å; D284-Q290 PolarHBondContact OD2-NE2 3.16Å; K286-Q290 PolarHBondContact O-N 3.14Å; I287-Q290 PolarHBondContact O-N 3.17Å; Q290-R292 PolarHBondContact O-N 3.41Å; Q290-K293 PolarHBondContact O-N 2.93Å; Q290-Y294 HydrophobicContact CB-CD2 4.1Å; Q290-Y294 HydrophobicContact CB-CE2 4.36Å; Q290-Y294 HydrophobicContact CG-CE2 4.34Å; Q290-Y294 WeakPolarHBondContact O-CB 3.49Å; Q290-Y294 WeakPolarHBondContact O-CD2 3.42Å; Q290-Y294 PolarHBondContact O-N 2.94Å
291I86.6Confident85.6Confident1 Ų158.9 Ų58.91%0.00525%0.25CC..Hα-helixtrans-56.8-43172.4-72.3160.9000110F283 I287 R295 I334 M338 A341 L343F283-I291 HydrophobicContact CE1-CG1 4.06Å; F283-I291 HydrophobicContact CE2-CG1 4.49Å; F283-I291 HydrophobicContact CZ-CG1 3.75Å; I287-I291 HydrophobicContact CG1-CD1 3.84Å; I287-I291 HydrophobicContact CG1-CG1 4.12Å; I287-I291 WeakPolarHBondContact O-CD1 3.32Å; I287-I291 WeakPolarHBondContact O-CG1 3.34Å; I287-I291 PolarHBondContact O-N 2.89Å; I291-R295 WeakPolarHBondContact O-CA 3.36Å; I291-R295 WeakPolarHBondContact O-CB 3.37Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-I334 HydrophobicContact CD1-CG2 3.79Å; I291-M338 HydrophobicContact CD1-CE 3.71Å; I291-M338 HydrophobicContact CD1-CG 3.77Å; I291-M338 HydrophobicContact CG1-CE 4.18Å; I291-M338 HydrophobicContact CG1-CG 4.38Å; I291-A341 HydrophobicContact CG2-CB 4.36Å; I291-L343 HydrophobicContact CG2-CD1 4.11Å
292R86.8Confident85.5Confident170 Ų17058.5 Ų58.564%0.64225%0.247SC*.Hα-helixtrans-69.2-42.2178.6-61.9179.5-170.9-175.31.6111.7E289 Q290 E337E289-R292 PolarHBondContact O-N 3Å; Q290-R292 PolarHBondContact O-N 3.41Å; R292-E337 IonicContact CZ-OE1 2.81Å; R292-E337 IonicContact NE-OE1 3.73Å; R292-E337 IonicContact NH2-OE1 2.84Å; R292-E337 PolarHBondContact NH2-OE1 2.95Å
293K87.8Confident85.5Confident115 Ų11564.1 Ų64.150%0.527%0.273SS..Hα-helixtrans-65.6-46.9-180-166.8-174.1-177.6-144.50112.2D255 E289 Q290D255-K293 VanDerWaalsContact OD1-CE 3.27Å; D255-K293 WeakPolarHBondContact OD1-CE 3.43Å; D255-K293 IonicContact OD1-NZ 2.82Å; D255-K293 PolarHBondContact OD1-NZ 2.78Å; D255-K293 WeakPolarHBondContact OD2-CE 3.16Å; D255-K293 IonicContact OD2-NZ 3.52Å; D255-K293 PolarHBondContact OD2-NZ 3.27Å; E289-K293 PolarHBondContact O-N 3.22Å; Q290-K293 PolarHBondContact O-N 2.93Å
294Y87.2Confident85.1Confident25 Ų2569.6 Ų69.610%0.09830%0.303CS..SBendtrans-98.613.2-174.7-59-64.1000113.5I254 D255 L282 Q290 R296 H297 F298I254-Y294 HydrophobicContact CG2-CE1 4.08Å; D255-Y294 WeakPolarHBondContact OD1-CE1 3.33Å; L282-Y294 HydrophobicContact CB-CD2 4.07Å; L282-Y294 HydrophobicContact CB-CE2 4.13Å; L282-Y294 HydrophobicContact CD1-CD1 3.97Å; L282-Y294 HydrophobicContact CD1-CD2 4.05Å; L282-Y294 HydrophobicContact CD1-CE1 4.39Å; L282-Y294 HydrophobicContact CD1-CE2 4.46Å; L282-Y294 HydrophobicContact CD1-CG 3.79Å; L282-Y294 HydrophobicContact CD2-CD1 4.42Å; L282-Y294 HydrophobicContact CD2-CD2 4.36Å; L282-Y294 HydrophobicContact CD2-CE1 4.02Å; L282-Y294 HydrophobicContact CD2-CE2 3.93Å; L282-Y294 HydrophobicContact CG-CD2 4.41Å; L282-Y294 HydrophobicContact CG-CE2 4.43Å; Q290-Y294 HydrophobicContact CB-CD2 4.1Å; Q290-Y294 HydrophobicContact CB-CE2 4.36Å; Q290-Y294 HydrophobicContact CG-CE2 4.34Å; Q290-Y294 WeakPolarHBondContact O-CB 3.49Å; Q290-Y294 WeakPolarHBondContact O-CD2 3.42Å; Q290-Y294 PolarHBondContact O-N 2.94Å; Y294-R296 PolarHBondContact O-N 3.03Å; Y294-R296 VanDerWaalsContact O-N 3.09Å; Y294-H297 AromaticContact CD1-CE1 3.92Å; Y294-H297 AromaticContact CD1-ND1 3.89Å; Y294-H297 WeakPolarHBondContact O-CB 3.35Å; Y294-H297 PolarHBondContact O-N 2.88Å; Y294-F298 WeakPolarHBondContact O-CD2 3.21Å; Y294-F298 PolarHBondContact O-N 2.81Å
295R87.1Confident85.2Confident90 Ų9068.6 Ų68.634%0.3430%0.297SS..Hα-helixtrans-48.1-43.1177.6-180178.1177.3-983.2111.6I291 H297 F298 L299 A341 D342 L343I291-R295 WeakPolarHBondContact O-CA 3.36Å; I291-R295 WeakPolarHBondContact O-CB 3.37Å; I291-R295 PolarHBondContact O-N 2.91Å; R295-H297 VanDerWaalsContact C-N 3.31Å; R295-H297 PolarHBondContact O-N 3.21Å; R295-F298 PolarHBondContact O-N 3.4Å; R295-L299 WeakPolarHBondContact O-CB 3.43Å; R295-L299 PolarHBondContact O-N 3.14Å; R295-A341 HydrophobicContact CG-CB 4.26Å; R295-A341 PolarHBondContact NE-O 2.84Å; R295-A341 PolarHBondContact NH2-O 3.04Å; R295-D342 IonicContact CZ-OD2 3.88Å; R295-D342 IonicContact NH2-OD2 3.38Å; R295-D342 PolarHBondContact NH2-OD2 3.4Å; R295-L343 HydrophobicContact CG-CD2 4.41Å
296R87.6Confident85.7Confident122 Ų12268.1 Ų68.146%0.4629%0.294SS..Hα-helixtrans-62.4-38.5-178-165.1173.179.7-130.2-2.7112.4D255 D258 Y294 R300D255-R296 PolarHBondContact O-NH2 2.98Å; D258-R296 VanDerWaalsContact CG-NE 3.31Å; D258-R296 IonicContact OD1-CZ 3.94Å; D258-R296 IonicContact OD1-NE 3.32Å; D258-R296 PolarHBondContact OD1-NE 3.25Å; D258-R296 IonicContact OD1-NH2 3.12Å; D258-R296 PolarHBondContact OD1-NH2 2.81Å; D258-R296 IonicContact OD2-CZ 3.86Å; D258-R296 IonicContact OD2-NE 2.9Å; D258-R296 PolarHBondContact OD2-NE 3.47Å; D258-R296 IonicContact OD2-NH2 2.69Å; Y294-R296 PolarHBondContact O-N 3.03Å; Y294-R296 VanDerWaalsContact O-N 3.09Å; R296-R300 WeakPolarHBondContact O-CG 3.33Å; R296-R300 PolarHBondContact O-N 3.28Å
297H87.4Confident85.8Confident5 Ų565.5 Ų65.52%0.02328%0.283CS..Hα-helixtrans-65.7-51.5179-58.367.8000110.7I254 L278 Y294 R295 L299 R300 F301I254-H297 PolarHBondContact O-NE2 3.49Å; L278-H297 HydrophobicContact CD1-CB 4.38Å; Y294-H297 AromaticContact CD1-CE1 3.92Å; Y294-H297 AromaticContact CD1-ND1 3.89Å; Y294-H297 WeakPolarHBondContact O-CB 3.35Å; Y294-H297 PolarHBondContact O-N 2.88Å; R295-H297 VanDerWaalsContact C-N 3.31Å; R295-H297 PolarHBondContact O-N 3.21Å; H297-L299 PolarHBondContact O-N 3.35Å; H297-R300 PolarHBondContact O-N 3.07Å; H297-F301 VanDerWaalsContact O-CD2 3.29Å; H297-F301 WeakPolarHBondContact O-CD2 3.41Å
298F88.5Confident86.1Confident0 Ų065.5 Ų65.50%028%0.283CS..Hα-helixtrans-65.5-39.9178.8-71.5-78.6000112.3P275 L278 T279 L282 F283 Y294 R295 R300 F301 C302 L312 L343P275-F298 HydrophobicContact CB-CD1 4.25Å; P275-F298 HydrophobicContact CB-CE1 4.39Å; L278-F298 HydrophobicContact CB-CD1 4.39Å; L278-F298 HydrophobicContact CB-CE1 3.54Å; L278-F298 HydrophobicContact CB-CE2 4.47Å; L278-F298 HydrophobicContact CB-CZ 3.59Å; L278-F298 HydrophobicContact CD1-CD1 4.2Å; L278-F298 HydrophobicContact CD1-CE1 4.15Å; T279-F298 HydrophobicContact CG2-CE1 3.82Å; T279-F298 HydrophobicContact CG2-CZ 4.03Å; L282-F298 HydrophobicContact CD1-CE2 4.48Å; F283-F298 AromaticContact CE1-CE2 3.65Å; F283-F298 HydrophobicContact CE1-CE2 3.65Å; F283-F298 AromaticContact CE1-CZ 3.94Å; F283-F298 HydrophobicContact CE1-CZ 3.94Å; F283-F298 HydrophobicContact CE2-CE1 4.39Å; F283-F298 HydrophobicContact CE2-CE2 4.18Å; F283-F298 AromaticContact CE2-CZ 3.75Å; F283-F298 HydrophobicContact CE2-CZ 3.75Å; F283-F298 HydrophobicContact CZ-CD2 4.2Å; F283-F298 HydrophobicContact CZ-CE1 4.28Å; F283-F298 AromaticContact CZ-CE2 3.34Å; F283-F298 HydrophobicContact CZ-CE2 3.34Å; F283-F298 AromaticContact CZ-CZ 3.38Å; F283-F298 HydrophobicContact CZ-CZ 3.38Å; Y294-F298 WeakPolarHBondContact O-CD2 3.21Å; Y294-F298 PolarHBondContact O-N 2.81Å; R295-F298 PolarHBondContact O-N 3.4Å; F298-R300 VanDerWaalsContact C-N 3.25Å; F298-R300 PolarHBondContact O-N 3.01Å; F298-F301 PolarHBondContact O-N 3.49Å; F298-C302 WeakPolarHBondContact O-CB 3.26Å; F298-C302 PolarHBondContact O-N 3.12Å; F298-C302 PolarHBondContact O-SG 3.35Å; F298-L312 HydrophobicContact CD1-CD1 3.72Å; F298-L312 HydrophobicContact CD1-CD2 4.48Å; F298-L312 HydrophobicContact CE1-CD1 3.62Å; F298-L343 HydrophobicContact CB-CD1 3.94Å; F298-L343 HydrophobicContact CB-CD2 3.59Å; F298-L343 HydrophobicContact CB-CG 4.36Å; F298-L343 HydrophobicContact CG-CD1 4.42Å
299L88.9Confident86.4Confident47 Ų4760.6 Ų60.625%0.24626%0.264CS..Hα-helixtrans-60.6-34.5-179.5-170.167.7000112.2R295 H297 F301 H303 D342 L343R295-L299 WeakPolarHBondContact O-CB 3.43Å; R295-L299 PolarHBondContact O-N 3.14Å; H297-L299 PolarHBondContact O-N 3.35Å; L299-F301 PolarHBondContact O-N 3.25Å; L299-H303 WeakPolarHBondContact O-CB 3.24Å; L299-H303 PolarHBondContact O-N 3.39Å; L299-D342 HydrophobicContact CD1-CB 4.29Å; L299-L343 HydrophobicContact CB-CD2 4.22Å
300R86.6Confident86.4Confident99 Ų9958.1 Ų58.137%0.37425%0.249SC..Hα-helixtrans-64.4-29.3175.6-72.9-173.1-174.2-78.5-3.8113.7D258 V262 R296 H297 F298D258-R300 IonicContact OD2-CZ 3.93Å; D258-R300 IonicContact OD2-NE 2.65Å; D258-R300 PolarHBondContact OD2-NE 3.24Å; D258-R300 IonicContact OD2-NH2 2.94Å; D258-R300 PolarHBondContact OD2-NH2 2.97Å; V262-R300 HydrophobicContact CG2-CB 3.75Å; R296-R300 WeakPolarHBondContact O-CG 3.33Å; R296-R300 PolarHBondContact O-N 3.28Å; H297-R300 PolarHBondContact O-N 3.07Å; F298-R300 VanDerWaalsContact C-N 3.25Å; F298-R300 PolarHBondContact O-N 3.01Å
301F86.3Confident86.6Confident3 Ų358.5 Ų58.51%0.01325%0.25CC..Hα-helixtrans-89-41.1178.2-73.3-74.7000112.2I261 V262 A265 K271 P275 L278 H297 F298 L299 A308I261-F301 HydrophobicContact CG2-CE2 4.14Å; I261-F301 HydrophobicContact CG2-CZ 3.98Å; V262-F301 HydrophobicContact CB-CE1 4.42Å; V262-F301 HydrophobicContact CB-CZ 4.1Å; V262-F301 HydrophobicContact CG2-CD1 4.47Å; V262-F301 HydrophobicContact CG2-CD2 4.14Å; V262-F301 HydrophobicContact CG2-CE1 3.94Å; V262-F301 HydrophobicContact CG2-CE2 3.54Å; V262-F301 HydrophobicContact CG2-CZ 3.44Å; V262-F301 VanDerWaalsContact CG2-CZ 3.44Å; A265-F301 HydrophobicContact CB-CE1 3.74Å; A265-F301 HydrophobicContact CB-CZ 4.09Å; K271-F301 HydrophobicContact CG-CD1 4.18Å; K271-F301 HydrophobicContact CG-CE1 4.36Å; K271-F301 WeakPolarHBondContact O-CD1 3.45Å; P275-F301 HydrophobicContact CG-CB 3.68Å; P275-F301 HydrophobicContact CG-CG 4.34Å; L278-F301 HydrophobicContact CD1-CD2 3.64Å; L278-F301 HydrophobicContact CD1-CE2 3.68Å; H297-F301 VanDerWaalsContact O-CD2 3.29Å; H297-F301 WeakPolarHBondContact O-CD2 3.41Å; F298-F301 PolarHBondContact O-N 3.49Å; L299-F301 PolarHBondContact O-N 3.25Å; F301-A308 WeakPolarHBondContact O-CB 3.46Å
302C84.6Confident86.7Confident0 Ų058.5 Ų58.50%025%0.25CC..Hα-helixtrans-83.9-19-172.4-650000114F298 N304 N305 Q309 L343F298-C302 WeakPolarHBondContact O-CB 3.26Å; F298-C302 PolarHBondContact O-N 3.12Å; F298-C302 PolarHBondContact O-SG 3.35Å; C302-N304 PolarHBondContact O-N 3.45Å; C302-N305 PolarHBondContact O-N 3.35Å; C302-Q309 HydrophobicContact CB-CG 3.89Å; C302-Q309 PolarHBondContact O-NE2 3.46Å; C302-L343 WeakPolarHBondContact CB-O 3.45Å
303H84Confident86.8Confident123 Ų12350.4 Ų50.457%0.56922%0.219SC*.THydrogen-bonded Turntrans-62.9119.5-178.1-174.161.1000111.8L299 N305L299-H303 WeakPolarHBondContact O-CB 3.24Å; L299-H303 PolarHBondContact O-N 3.39Å; H303-N305 PolarHBondContact O-N 2.88Å; H303-N305 VanDerWaalsContact O-N 3.17Å
304N77.4Confident86.7Confident131 Ų13146.2 Ų46.270%0.70120%0.201SC*.THydrogen-bonded Turntrans56.820.1-177.2-54.7-30.4000114.7C302C302-N304 PolarHBondContact O-N 3.45Å
305N85.3Confident86.7Confident42 Ų4245 Ų4523%0.22520%0.197CC..  trans-126.190.7-178.1-169.6-18.9000111.6C302 H303 K307 A308 Q309C302-N305 PolarHBondContact O-N 3.35Å; H303-N305 PolarHBondContact O-N 2.88Å; H303-N305 VanDerWaalsContact O-N 3.17Å; N305-K307 PolarHBondContact O-N 3.33Å; N305-K307 WeakPolarHBondContact OD1-CB 3.09Å; N305-K307 PolarHBondContact OD1-N 3.25Å; N305-K307 VanDerWaalsContact OD1-N 3.11Å; N305-A308 HydrophobicContact CB-CB 3.98Å; N305-A308 PolarHBondContact O-N 3.1Å; N305-A308 PolarHBondContact OD1-N 3.45Å; N305-A308 VanDerWaalsContact OD1-N 3.1Å; N305-Q309 WeakPolarHBondContact O-CG 3.47Å; N305-Q309 PolarHBondContact O-N 3.02Å; N305-Q309 VanDerWaalsContact O-N 3.16Å
306K87.1Confident86.7Confident76 Ų7640.8 Ų40.833%0.3318%0.181SC..Hα-helixtrans-58.7-31.7177.4-63-178.2175.3-175.90113Q309 R310 E347 V348K306-Q309 PolarHBondContact O-N 2.85Å; K306-R310 WeakPolarHBondContact O-CG 3.35Å; K306-R310 PolarHBondContact O-N 3.27Å; K306-R310 VanDerWaalsContact O-N 3.11Å; K306-E347 WeakPolarHBondContact CE-OE2 3.34Å; K306-E347 IonicContact NZ-OE1 3.07Å; K306-E347 PolarHBondContact NZ-OE1 3.01Å; K306-E347 IonicContact NZ-OE2 3.54Å; K306-E347 PolarHBondContact NZ-OE2 3.29Å; K306-V348 HydrophobicContact CB-CG2 3.97Å; K306-V348 HydrophobicContact CD-CG2 4.5Å; K306-V348 HydrophobicContact CG-CG2 3.97Å
307K86Confident86.6Confident60 Ų6035 Ų3526%0.26116%0.159SC..Hα-helixtrans-67.9-45.5178.8-167.3177-178.4175.30110.6A272 N305 Q309 R310 Y311 D396A272-K307 HydrophobicContact CB-CB 4.31Å; A272-K307 HydrophobicContact CB-CD 3.89Å; A272-K307 HydrophobicContact CB-CG 3.9Å; N305-K307 PolarHBondContact O-N 3.33Å; N305-K307 WeakPolarHBondContact OD1-CB 3.09Å; N305-K307 PolarHBondContact OD1-N 3.25Å; N305-K307 VanDerWaalsContact OD1-N 3.11Å; K307-Q309 VanDerWaalsContact C-N 3.32Å; K307-Q309 PolarHBondContact O-N 3.38Å; K307-R310 WeakPolarHBondContact O-CB 3.25Å; K307-R310 PolarHBondContact O-N 3.41Å; K307-Y311 HydrophobicContact CD-CE2 4.4Å; K307-Y311 HydrophobicContact CG-CD2 4.23Å; K307-Y311 HydrophobicContact CG-CE2 3.75Å; K307-Y311 WeakPolarHBondContact O-CD2 3.5Å; K307-Y311 PolarHBondContact O-N 2.76Å; K307-Y311 VanDerWaalsContact O-N 3.16Å; K307-D396 IonicContact NZ-OD2 2.94Å; K307-D396 PolarHBondContact NZ-OD2 2.86Å
308A87.4Confident86.4Confident0 Ų035.9 Ų35.90%017%0.166CC..Hα-helixtrans-62-38.3175.600000112.5A272 P275 F301 N305 R310 Y311 L312A272-A308 WeakPolarHBondContact O-CA 3.45Å; P275-A308 HydrophobicContact CG-CB 3.98Å; F301-A308 WeakPolarHBondContact O-CB 3.46Å; N305-A308 HydrophobicContact CB-CB 3.98Å; N305-A308 PolarHBondContact O-N 3.1Å; N305-A308 PolarHBondContact OD1-N 3.45Å; N305-A308 VanDerWaalsContact OD1-N 3.1Å; A308-R310 VanDerWaalsContact C-N 3.35Å; A308-R310 PolarHBondContact O-N 3.14Å; A308-Y311 PolarHBondContact O-N 3.26Å; A308-L312 PolarHBondContact O-N 2.96Å
309Q88.7Confident86.2Confident3 Ų336.2 Ų36.21%0.01417%0.167CC..Hα-helixtrans-64-37175.1-65.3176.122.400112.5C302 N305 K306 K307 L312 L313 L343 L344 E345 V348C302-Q309 HydrophobicContact CB-CG 3.89Å; C302-Q309 PolarHBondContact O-NE2 3.46Å; N305-Q309 WeakPolarHBondContact O-CG 3.47Å; N305-Q309 PolarHBondContact O-N 3.02Å; N305-Q309 VanDerWaalsContact O-N 3.16Å; K306-Q309 PolarHBondContact O-N 2.85Å; K307-Q309 VanDerWaalsContact C-N 3.32Å; K307-Q309 PolarHBondContact O-N 3.38Å; Q309-L312 WeakPolarHBondContact O-CB 3.4Å; Q309-L312 PolarHBondContact O-N 3.22Å; Q309-L313 PolarHBondContact O-N 3.47Å; Q309-L313 VanDerWaalsContact O-N 3.09Å; Q309-L343 WeakPolarHBondContact CG-O 3.39Å; Q309-L344 HydrophobicContact CB-CD2 3.94Å; Q309-L344 HydrophobicContact CG-CD2 4.48Å; Q309-E345 PolarHBondContact NE2-OE1 3.47Å; Q309-V348 HydrophobicContact CB-CB 4.49Å; Q309-V348 HydrophobicContact CB-CG1 3.95Å; Q309-V348 HydrophobicContact CB-CG2 4.4Å
310R87.4Confident86.1Confident83 Ų8334 Ų3431%0.31316%0.156SC..Hα-helixtrans-63.8-42.6172.2-69.7-170-66.7-96.318.2112.1K306 K307 A308 L312 L313 H314 V348 D394K306-R310 WeakPolarHBondContact O-CG 3.35Å; K306-R310 PolarHBondContact O-N 3.27Å; K306-R310 VanDerWaalsContact O-N 3.11Å; K307-R310 WeakPolarHBondContact O-CB 3.25Å; K307-R310 PolarHBondContact O-N 3.41Å; A308-R310 VanDerWaalsContact C-N 3.35Å; A308-R310 PolarHBondContact O-N 3.14Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.22Å; R310-L313 WeakPolarHBondContact O-CB 3.37Å; R310-L313 PolarHBondContact O-N 3.02Å; R310-H314 PolarHBondContact O-CD2 3.25Å; R310-H314 VanDerWaalsContact O-CD2 3.32Å; R310-H314 PolarHBondContact O-N 3.38Å; R310-V348 HydrophobicContact CG-CG1 3.76Å; R310-D394 IonicContact NH2-OD1 3.17Å
311Y88.9Confident85.9Confident34 Ų3430.9 Ų30.913%0.13315%0.151CC..Hα-helixtrans-65.4-32.6175.1-75-66.9000113A272 M273 L276 K307 A308 H314 G315A272-Y311 HydrophobicContact CB-CD2 4.1Å; A272-Y311 HydrophobicContact CB-CE2 4.12Å; A272-Y311 WeakPolarHBondContact O-CB 3.17Å; A272-Y311 WeakPolarHBondContact O-CD2 3.39Å; M273-Y311 HydrophobicContact CE-CD2 4.24Å; M273-Y311 HydrophobicContact CE-CE1 4.05Å; M273-Y311 HydrophobicContact CE-CE2 3.36Å; M273-Y311 WeakPolarHBondContact CE-OH 3.49Å; M273-Y311 HydrophobicContact SD-CD1 3.66Å; M273-Y311 HydrophobicContact SD-CD2 3.72Å; M273-Y311 HydrophobicContact SD-CE1 3.25Å; M273-Y311 WeakPolarHBondContact SD-CE1 3.3Å; M273-Y311 HydrophobicContact SD-CE2 3.32Å; M273-Y311 WeakPolarHBondContact SD-CE2 3.19Å; M273-Y311 HydrophobicContact SD-CG 3.89Å; L276-Y311 HydrophobicContact CD2-CD1 4.4Å; K307-Y311 HydrophobicContact CD-CE2 4.4Å; K307-Y311 HydrophobicContact CG-CD2 4.23Å; K307-Y311 HydrophobicContact CG-CE2 3.75Å; K307-Y311 WeakPolarHBondContact O-CD2 3.5Å; K307-Y311 PolarHBondContact O-N 2.76Å; K307-Y311 VanDerWaalsContact O-N 3.16Å; A308-Y311 PolarHBondContact O-N 3.26Å; Y311-H314 PolarHBondContact O-N 2.71Å; Y311-G315 PolarHBondContact O-N 2.98Å
312L89.9Confident85.7Confident0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-62.3-42.3171179.157.6000111.7P275 T279 F298 A308 Q309 R310 G315 F316 L343 L344P275-L312 HydrophobicContact CB-CB 3.79Å; P275-L312 HydrophobicContact CB-CD1 4.27Å; T279-L312 HydrophobicContact CG2-CD1 3.48Å; T279-L312 VanDerWaalsContact CG2-CD1 3.48Å; F298-L312 HydrophobicContact CD1-CD1 3.72Å; F298-L312 HydrophobicContact CD1-CD2 4.48Å; F298-L312 HydrophobicContact CE1-CD1 3.62Å; A308-L312 PolarHBondContact O-N 2.96Å; Q309-L312 WeakPolarHBondContact O-CB 3.4Å; Q309-L312 PolarHBondContact O-N 3.22Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.22Å; L312-G315 PolarHBondContact O-N 3.12Å; L312-F316 WeakPolarHBondContact O-CB 3.41Å; L312-F316 PolarHBondContact O-N 3.02Å; L312-L343 HydrophobicContact CD2-CB 3.93Å; L312-L344 HydrophobicContact CB-CD2 4.41Å; L312-L344 HydrophobicContact CD2-CD2 3.94Å; L312-L344 HydrophobicContact CD2-CG 4.24Å; L312-L344 HydrophobicContact CG-CD2 4.33Å
313L88.6Confident85.5Confident0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-65-39.3175.7-73.1169.6000112.2Q309 R310 F316 E317 L335 L344 V348 W352Q309-L313 PolarHBondContact O-N 3.47Å; Q309-L313 VanDerWaalsContact O-N 3.09Å; R310-L313 WeakPolarHBondContact O-CB 3.37Å; R310-L313 PolarHBondContact O-N 3.02Å; L313-F316 WeakPolarHBondContact O-CB 3.16Å; L313-F316 PolarHBondContact O-N 3.46Å; L313-E317 WeakPolarHBondContact O-CG 3.37Å; L313-E317 PolarHBondContact O-N 3.2Å; L313-L335 HydrophobicContact CD2-CD2 4.01Å; L313-L344 HydrophobicContact CD1-CD2 4.31Å; L313-L344 HydrophobicContact CD2-CD1 3.64Å; L313-L344 HydrophobicContact CD2-CD2 4.24Å; L313-L344 HydrophobicContact CG-CD1 4.22Å; L313-L344 HydrophobicContact CG-CD2 3.88Å; L313-V348 HydrophobicContact CD1-CG1 4Å; L313-W352 HydrophobicContact CB-CG 4.33Å; L313-W352 HydrophobicContact CD1-CB 3.61Å; L313-W352 HydrophobicContact CD1-CD2 4.19Å; L313-W352 HydrophobicContact CD1-CG 3.7Å; L313-W352 HydrophobicContact CD2-CD2 4.41Å; L313-W352 HydrophobicContact CG-CG 4.47Å
314H86.6Confident85.2Confident28 Ų2837.9 Ų37.913%0.1319%0.185CC..Hα-helixtrans-65.9-40.8173.3-66-37.4000112.3R310 Y311 F316 E317 C318 Y360R310-H314 PolarHBondContact O-CD2 3.25Å; R310-H314 VanDerWaalsContact O-CD2 3.32Å; R310-H314 PolarHBondContact O-N 3.38Å; Y311-H314 PolarHBondContact O-N 2.71Å; H314-F316 VanDerWaalsContact C-N 3.31Å; H314-F316 PolarHBondContact O-N 3.07Å; H314-E317 IonicContact CE1-OE2 3.52Å; H314-E317 IonicContact ND1-OE2 2.86Å; H314-E317 PolarHBondContact ND1-OE2 2.99Å; H314-E317 WeakPolarHBondContact O-CB 3.21Å; H314-E317 PolarHBondContact O-N 3.21Å; H314-E317 VanDerWaalsContact O-N 3.16Å; H314-C318 PolarHBondContact O-N 3.44Å; H314-C318 PolarHBondContact O-SG 2.88Å; H314-C318 VanDerWaalsContact O-SG 3.38Å; H314-Y360 HydrophobicContact CB-CD2 3.94Å; H314-Y360 HydrophobicContact CB-CE2 4.06Å; H314-Y360 HydrophobicContact CB-CG 4.18Å; H314-Y360 AromaticContact CD2-CE2 3.59Å; H314-Y360 AromaticContact CG-CD2 3.64Å; H314-Y360 AromaticContact CG-CE2 3.63Å; H314-Y360 AromaticContact ND1-CD2 3.74Å; H314-Y360 AromaticContact NE2-CE2 4Å
315G85.8Confident85.1Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-60.4-40.3172.700000112.9L276 T279 Y311 L312 C318 V319L276-G315 VanDerWaalsContact CD1-CA 3.46Å; T279-G315 WeakPolarHBondContact OG1-CA 3.45Å; Y311-G315 PolarHBondContact O-N 2.98Å; L312-G315 PolarHBondContact O-N 3.12Å; G315-C318 WeakPolarHBondContact O-CB 3.38Å; G315-C318 PolarHBondContact O-N 3.13Å; G315-V319 WeakPolarHBondContact O-CG2 3.44Å; G315-V319 PolarHBondContact O-N 2.94Å
316F86.8Confident84.8Confident0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-61.5-43.8171.6169.6-105.1000112.5I287 L312 L313 H314 C318 V319 V320 I331 I334 L335 M338 I369I287-F316 HydrophobicContact CD1-CD2 4Å; I287-F316 HydrophobicContact CD1-CE2 4.42Å; L312-F316 WeakPolarHBondContact O-CB 3.41Å; L312-F316 PolarHBondContact O-N 3.02Å; L313-F316 WeakPolarHBondContact O-CB 3.16Å; L313-F316 PolarHBondContact O-N 3.46Å; H314-F316 VanDerWaalsContact C-N 3.31Å; H314-F316 PolarHBondContact O-N 3.07Å; F316-C318 VanDerWaalsContact C-N 3.31Å; F316-C318 PolarHBondContact O-N 3.03Å; F316-V319 PolarHBondContact O-N 3.44Å; F316-V320 HydrophobicContact CD2-CG2 4.13Å; F316-V320 HydrophobicContact CE1-CG2 4.1Å; F316-V320 HydrophobicContact CE2-CG2 3.63Å; F316-V320 HydrophobicContact CZ-CG2 3.63Å; F316-V320 WeakPolarHBondContact O-CG2 3.47Å; F316-V320 PolarHBondContact O-N 3.07Å; F316-I331 HydrophobicContact CE1-CG2 4.16Å; F316-I331 HydrophobicContact CZ-CB 4.28Å; F316-I331 HydrophobicContact CZ-CG1 4.03Å; F316-I331 HydrophobicContact CZ-CG2 3.96Å; F316-I334 HydrophobicContact CD2-CG2 4.06Å; F316-I334 HydrophobicContact CE2-CB 4.13Å; F316-I334 HydrophobicContact CE2-CD1 4.15Å; F316-I334 HydrophobicContact CE2-CG2 3.58Å; F316-I334 HydrophobicContact CZ-CG2 4.39Å; F316-L335 HydrophobicContact CD1-CD2 4.4Å; F316-L335 HydrophobicContact CE1-CD2 4.19Å; F316-L335 HydrophobicContact CE1-CG 4.46Å; F316-M338 HydrophobicContact CB-CE 4.35Å; F316-M338 HydrophobicContact CD2-CE 4.02Å; F316-M338 HydrophobicContact CG-CE 4.44Å; F316-I369 HydrophobicContact CE1-CG2 4.41Å
317E85.9Confident84.5Confident1 Ų135.1 Ų35.11%0.00518%0.18CC..Hα-helixtrans-57.6-43.3174.2-71.7174.5145.900111.2L313 H314 V320 A321 W352 V361 I369 R370L313-E317 WeakPolarHBondContact O-CG 3.37Å; L313-E317 PolarHBondContact O-N 3.2Å; H314-E317 IonicContact CE1-OE2 3.52Å; H314-E317 IonicContact ND1-OE2 2.86Å; H314-E317 PolarHBondContact ND1-OE2 2.99Å; H314-E317 WeakPolarHBondContact O-CB 3.21Å; H314-E317 PolarHBondContact O-N 3.21Å; H314-E317 VanDerWaalsContact O-N 3.16Å; E317-V320 PolarHBondContact O-N 2.97Å; E317-A321 PolarHBondContact O-N 2.87Å; E317-W352 HydrophobicContact CG-CZ2 4.14Å; E317-W352 WeakPolarHBondContact OE1-CZ2 3.29Å; E317-W352 PolarHBondContact OE1-NE1 3.06Å; E317-V361 HydrophobicContact CB-CG1 3.94Å; E317-V361 HydrophobicContact CB-CG2 4.17Å; E317-V361 WeakPolarHBondContact O-CG1 3.37Å; E317-I369 HydrophobicContact CB-CD1 4.35Å; E317-I369 HydrophobicContact CG-CD1 4.21Å; E317-R370 IonicContact OE1-CZ 2.64Å; E317-R370 IonicContact OE1-NH1 3.63Å; E317-R370 PolarHBondContact OE1-NH1 3.37Å; E317-R370 IonicContact OE1-NH2 2.76Å; E317-R370 PolarHBondContact OE1-NH2 2.96Å
318C83.1Confident84.3Confident24 Ų2433.5 Ų33.516%0.16218%0.175CC..Hα-helixtrans-61.9-45.5176.1-66.70000112.7H314 G315 F316 V320 A321 M322H314-C318 PolarHBondContact O-N 3.44Å; H314-C318 PolarHBondContact O-SG 2.88Å; H314-C318 VanDerWaalsContact O-SG 3.38Å; G315-C318 WeakPolarHBondContact O-CB 3.38Å; G315-C318 PolarHBondContact O-N 3.13Å; F316-C318 VanDerWaalsContact C-N 3.31Å; F316-C318 PolarHBondContact O-N 3.03Å; C318-V320 VanDerWaalsContact C-N 3.32Å; C318-V320 PolarHBondContact O-N 3.47Å; C318-A321 WeakPolarHBondContact O-CA 3.3Å; C318-A321 WeakPolarHBondContact O-CB 3.44Å; C318-A321 PolarHBondContact O-N 3.24Å; C318-A321 VanDerWaalsContact O-N 3.07Å; C318-M322 WeakPolarHBondContact O-CG 3.42Å; C318-M322 PolarHBondContact O-N 3.13Å
319V85.6Confident84.2Confident6 Ų637.2 Ų37.24%0.03620%0.2CC..Hα-helixtrans-64.1-39.4178.5175.30000111.2F283 I287 G315 F316 A321 M322 H323 L327F283-V319 HydrophobicContact CB-CG1 4.2Å; F283-V319 HydrophobicContact CB-CG2 3.97Å; F283-V319 HydrophobicContact CD2-CG2 4.47Å; I287-V319 HydrophobicContact CD1-CG1 4.25Å; G315-V319 WeakPolarHBondContact O-CG2 3.44Å; G315-V319 PolarHBondContact O-N 2.94Å; F316-V319 PolarHBondContact O-N 3.44Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 3.11Å; V319-M322 PolarHBondContact O-N 3.08Å; V319-H323 PolarHBondContact O-N 2.9Å; V319-H323 VanDerWaalsContact O-N 3.07Å; V319-L327 HydrophobicContact CG1-CD1 3.79Å
320V85.1Confident84.1Confident0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-64.5-36.8173.4175.50000111.1F316 E317 C318 M322 H323 Q324 L327 I331 I369F316-V320 HydrophobicContact CD2-CG2 4.13Å; F316-V320 HydrophobicContact CE1-CG2 4.1Å; F316-V320 HydrophobicContact CE2-CG2 3.63Å; F316-V320 HydrophobicContact CZ-CG2 3.63Å; F316-V320 WeakPolarHBondContact O-CG2 3.47Å; F316-V320 PolarHBondContact O-N 3.07Å; E317-V320 PolarHBondContact O-N 2.97Å; C318-V320 VanDerWaalsContact C-N 3.32Å; C318-V320 PolarHBondContact O-N 3.47Å; V320-M322 VanDerWaalsContact C-N 3.32Å; V320-M322 PolarHBondContact O-N 3.35Å; V320-H323 CarbonylContact O-C 3.56Å; V320-H323 PolarHBondContact O-N 2.99Å; V320-Q324 VanDerWaalsContact O-CA 3.28Å; V320-Q324 WeakPolarHBondContact O-CA 3.35Å; V320-Q324 WeakPolarHBondContact O-CG 3.44Å; V320-Q324 PolarHBondContact O-N 3.37Å; V320-L327 HydrophobicContact CG2-CB 4.23Å; V320-L327 HydrophobicContact CG2-CD1 4.4Å; V320-I331 HydrophobicContact CG1-CD1 4.22Å; V320-I331 HydrophobicContact CG2-CG1 4.5Å; V320-I369 HydrophobicContact CB-CD1 4.09Å; V320-I369 HydrophobicContact CG1-CD1 3.84Å; V320-I369 HydrophobicContact CG1-CG1 3.88Å
321A83.4Confident84.1Confident34 Ų3437 Ų3728%0.28120%0.201SC..Hα-helixtrans-63.8-35.9175.400000113.1E317 C318 V319 Q324 V361 L365E317-A321 PolarHBondContact O-N 2.87Å; C318-A321 WeakPolarHBondContact O-CA 3.3Å; C318-A321 WeakPolarHBondContact O-CB 3.44Å; C318-A321 PolarHBondContact O-N 3.24Å; C318-A321 VanDerWaalsContact O-N 3.07Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 3.11Å; A321-Q324 WeakPolarHBondContact O-CG 3.41Å; A321-Q324 PolarHBondContact O-NE2 2.89Å; A321-V361 HydrophobicContact CB-CG1 3.83Å; A321-L365 VanDerWaalsContact CA-CD2 3.46Å; A321-L365 HydrophobicContact CB-CD2 3.45Å; A321-L365 VanDerWaalsContact CB-CD2 3.45Å
322M81.7Confident84.1Confident117 Ų11736.6 Ų36.658%0.57620%0.203SC*.Hα-helixtrans-72.5-32.8175.2-65.6-65-161.700112.8C318 V319 V320C318-M322 WeakPolarHBondContact O-CG 3.42Å; C318-M322 PolarHBondContact O-N 3.13Å; V319-M322 PolarHBondContact O-N 3.08Å; V320-M322 VanDerWaalsContact C-N 3.32Å; V320-M322 PolarHBondContact O-N 3.35Å
323H81.8Confident84Confident60 Ų6041.7 Ų41.728%0.27823%0.227SC..THydrogen-bonded Turntrans-126.244.4-172.5-58.6-62.1000113.8V319 V320 S325 Q326 L327V319-H323 PolarHBondContact O-N 2.9Å; V319-H323 VanDerWaalsContact O-N 3.07Å; V320-H323 CarbonylContact O-C 3.56Å; V320-H323 PolarHBondContact O-N 2.99Å; H323-S325 VanDerWaalsContact C-N 3.33Å; H323-S325 PolarHBondContact O-N 3.35Å; H323-Q326 PolarHBondContact O-N 2.76Å; H323-Q326 VanDerWaalsContact O-N 3.16Å; H323-L327 HydrophobicContact CB-CD1 3.75Å; H323-L327 HydrophobicContact CB-CG 3.92Å; H323-L327 PolarHBondContact O-N 2.7Å
324Q76.1Confident84Confident96 Ų9641.7 Ų41.745%0.44923%0.227SC..Hα-helixtrans-52.9-45.4-172.8-64.8176.41500113.4V320 A321 Q326 I328 L365V320-Q324 VanDerWaalsContact O-CA 3.28Å; V320-Q324 WeakPolarHBondContact O-CA 3.35Å; V320-Q324 WeakPolarHBondContact O-CG 3.44Å; V320-Q324 PolarHBondContact O-N 3.37Å; A321-Q324 WeakPolarHBondContact O-CG 3.41Å; A321-Q324 PolarHBondContact O-NE2 2.89Å; Q324-Q326 PolarHBondContact O-N 2.8Å; Q324-I328 VanDerWaalsContact O-CB 3.32Å; Q324-I328 WeakPolarHBondContact O-CB 3.5Å; Q324-I328 WeakPolarHBondContact O-CG2 3.11Å; Q324-I328 PolarHBondContact O-N 3.26Å; Q324-L365 HydrophobicContact CG-CD1 3.94Å; Q324-L365 HydrophobicContact CG-CD2 4.38Å
325S76Confident84.1Confident112 Ų11240.4 Ų40.478%0.78322%0.221SC*.Hα-helixtrans-62.3-27.4-175.356.80000114H323H323-S325 VanDerWaalsContact C-N 3.33Å; H323-S325 PolarHBondContact O-N 3.35Å
326Q79.4Confident84.2Confident79 Ų7944 Ų4437%0.36924%0.237SC..Hα-helixtrans-105.8-30.5-174.8-58.3-170.427.500113.7E285 H323 Q324E285-Q326 PolarHBondContact OE2-NE2 2.64Å; E285-Q326 VanDerWaalsContact OE2-NE2 3.08Å; E285-Q326 PolarHBondContact OE2-OE1 2.99Å; H323-Q326 PolarHBondContact O-N 2.76Å; H323-Q326 VanDerWaalsContact O-N 3.16Å; Q324-Q326 PolarHBondContact O-N 2.8Å
327L80.4Confident84.3Confident0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-95.8-24.8-171-63.9-175.1000113.7I287 V319 V320 H323 S329 K330 I331 I334I287-L327 HydrophobicContact CG2-CD2 3.87Å; V319-L327 HydrophobicContact CG1-CD1 3.79Å; V320-L327 HydrophobicContact CG2-CB 4.23Å; V320-L327 HydrophobicContact CG2-CD1 4.4Å; H323-L327 HydrophobicContact CB-CD1 3.75Å; H323-L327 HydrophobicContact CB-CG 3.92Å; H323-L327 PolarHBondContact O-N 2.7Å; L327-S329 VanDerWaalsContact C-N 3.25Å; L327-S329 PolarHBondContact O-N 3.5Å; L327-S329 VanDerWaalsContact O-N 3.16Å; L327-K330 PolarHBondContact O-N 3.4Å; L327-I331 WeakPolarHBondContact O-CG1 3.41Å; L327-I331 PolarHBondContact O-N 3.39Å; L327-I331 VanDerWaalsContact O-N 3.14Å; L327-I334 HydrophobicContact CD2-CD1 4.19Å
328I81.1Confident84.5Confident27 Ų2745 Ų4514%0.13824%0.241CC..THydrogen-bonded Turntrans-58.3-34.4-174.1-160.360.7000113.7Q324 I331 E368 I369 K372Q324-I328 VanDerWaalsContact O-CB 3.32Å; Q324-I328 WeakPolarHBondContact O-CB 3.5Å; Q324-I328 WeakPolarHBondContact O-CG2 3.11Å; Q324-I328 PolarHBondContact O-N 3.26Å; I328-I331 HydrophobicContact CD1-CD1 3.59Å; I328-E368 HydrophobicContact CD1-CB 4.37Å; I328-E368 HydrophobicContact CD1-CG 3.79Å; I328-E368 HydrophobicContact CG1-CG 4.15Å; I328-E368 WeakPolarHBondContact CG1-OE1 3.17Å; I328-I369 HydrophobicContact CD1-CG1 4.49Å; I328-K372 HydrophobicContact CD1-CG 4.27Å; I328-K372 HydrophobicContact CG1-CG 4.24Å
329S85.9Confident84.8Confident77 Ų7747.2 Ų47.254%0.53825%0.247SC..THydrogen-bonded Turntrans-79.6-19.9177.7590000113.2L327L327-S329 VanDerWaalsContact C-N 3.25Å; L327-S329 PolarHBondContact O-N 3.5Å; L327-S329 VanDerWaalsContact O-N 3.16Å
330K86.1Confident85Confident81 Ų8151.1 Ų51.135%0.35227%0.267SS..THydrogen-bonded Turntrans-100.7-6.3-174.3-63.6177.4-175.61670113.5L327 H333 I334L327-K330 PolarHBondContact O-N 3.4Å; K330-H333 WeakPolarHBondContact O-CA 3.37Å; K330-H333 WeakPolarHBondContact O-CB 3.42Å; K330-H333 PolarHBondContact O-N 3.36Å; K330-I334 HydrophobicContact CB-CD1 3.89Å; K330-I334 HydrophobicContact CB-CG1 4.31Å; K330-I334 WeakPolarHBondContact O-CG1 3.31Å; K330-I334 PolarHBondContact O-N 2.85Å
331I87.8Confident85.1Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-44-54.9179.2-64.3-179.6000113.7F316 V320 L327 I328 H333 I334 L335 I369 K372 A373F316-I331 HydrophobicContact CE1-CG2 4.16Å; F316-I331 HydrophobicContact CZ-CB 4.28Å; F316-I331 HydrophobicContact CZ-CG1 4.03Å; F316-I331 HydrophobicContact CZ-CG2 3.96Å; V320-I331 HydrophobicContact CG1-CD1 4.22Å; V320-I331 HydrophobicContact CG2-CG1 4.5Å; L327-I331 WeakPolarHBondContact O-CG1 3.41Å; L327-I331 PolarHBondContact O-N 3.39Å; L327-I331 VanDerWaalsContact O-N 3.14Å; I328-I331 HydrophobicContact CD1-CD1 3.59Å; I331-H333 PolarHBondContact O-N 3.5Å; I331-I334 PolarHBondContact O-N 3.42Å; I331-I334 VanDerWaalsContact O-N 3.14Å; I331-L335 HydrophobicContact CG2-CD1 3.98Å; I331-L335 HydrophobicContact CG2-CG 4.41Å; I331-L335 WeakPolarHBondContact O-CG 3.21Å; I331-L335 PolarHBondContact O-N 3.05Å; I331-I369 HydrophobicContact CD1-CB 4.15Å; I331-I369 HydrophobicContact CD1-CG1 3.88Å; I331-I369 HydrophobicContact CD1-CG2 4.19Å; I331-K372 HydrophobicContact CB-CB 4.25Å; I331-K372 HydrophobicContact CD1-CB 4.09Å; I331-K372 HydrophobicContact CG2-CB 4.48Å; I331-A373 HydrophobicContact CG2-CB 4.24Å
332P88.2Confident85.3Confident27 Ų2755 Ų5518%0.17529%0.285CS..Hα-helixtrans-64.4-32.5-177.124.9-34.7000112.2K336 F376P332-K336 WeakPolarHBondContact O-CB 3.43Å; P332-K336 PolarHBondContact O-N 2.8Å; P332-F376 HydrophobicContact CB-CB 4.08Å
333H88.4Confident85.5Confident107 Ų10749.4 Ų49.450%0.49526%0.258SS..Hα-helixtrans-72.2-37176.3-57-52.9000112.1K330 I331 K336 E337K330-H333 WeakPolarHBondContact O-CA 3.37Å; K330-H333 WeakPolarHBondContact O-CB 3.42Å; K330-H333 PolarHBondContact O-N 3.36Å; I331-H333 PolarHBondContact O-N 3.5Å; H333-K336 PolarHBondContact O-N 3.4Å; H333-E337 WeakPolarHBondContact O-CG 3.2Å; H333-E337 PolarHBondContact O-N 3.13Å
334I88.6Confident85.8Confident0 Ų046.8 Ų46.80%025%0.246CC..Hα-helixtrans-68.2-46.3177.4-65.6161.2000110.3I287 R288 I291 F316 L327 K330 I331 K336 E337 M338I287-I334 HydrophobicContact CD1-CG2 4.18Å; I287-I334 HydrophobicContact CG2-CD1 3.54Å; I287-I334 HydrophobicContact CG2-CG1 3.92Å; I287-I334 HydrophobicContact CG2-CG2 4.46Å; R288-I334 HydrophobicContact CG-CG1 4Å; I291-I334 HydrophobicContact CD1-CG2 3.79Å; F316-I334 HydrophobicContact CD2-CG2 4.06Å; F316-I334 HydrophobicContact CE2-CB 4.13Å; F316-I334 HydrophobicContact CE2-CD1 4.15Å; F316-I334 HydrophobicContact CE2-CG2 3.58Å; F316-I334 HydrophobicContact CZ-CG2 4.39Å; L327-I334 HydrophobicContact CD2-CD1 4.19Å; K330-I334 HydrophobicContact CB-CD1 3.89Å; K330-I334 HydrophobicContact CB-CG1 4.31Å; K330-I334 WeakPolarHBondContact O-CG1 3.31Å; K330-I334 PolarHBondContact O-N 2.85Å; I331-I334 PolarHBondContact O-N 3.42Å; I331-I334 VanDerWaalsContact O-N 3.14Å; I334-K336 VanDerWaalsContact C-N 3.28Å; I334-K336 PolarHBondContact O-N 2.78Å; I334-E337 PolarHBondContact O-N 3.31Å; I334-E337 VanDerWaalsContact O-N 3.09Å; I334-M338 HydrophobicContact CG2-CE 3.87Å; I334-M338 HydrophobicContact CG2-CG 4.48Å; I334-M338 HydrophobicContact CG2-SD 4.38Å; I334-M338 WeakPolarHBondContact O-CG 3.48Å; I334-M338 PolarHBondContact O-N 2.77Å
335L89.3Confident86.4Confident0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-60.1-41.1176-70.4175.6000111.3L313 F316 I331 E337 M338 Y339 L344 W352 A373 F376L313-L335 HydrophobicContact CD2-CD2 4.01Å; F316-L335 HydrophobicContact CD1-CD2 4.4Å; F316-L335 HydrophobicContact CE1-CD2 4.19Å; F316-L335 HydrophobicContact CE1-CG 4.46Å; I331-L335 HydrophobicContact CG2-CD1 3.98Å; I331-L335 HydrophobicContact CG2-CG 4.41Å; I331-L335 WeakPolarHBondContact O-CG 3.21Å; I331-L335 PolarHBondContact O-N 3.05Å; L335-E337 PolarHBondContact O-N 3.28Å; L335-M338 PolarHBondContact O-N 2.91Å; L335-Y339 WeakPolarHBondContact O-CB 3.34Å; L335-Y339 PolarHBondContact O-N 3.47Å; L335-L344 HydrophobicContact CD2-CD1 4.43Å; L335-W352 HydrophobicContact CD1-CZ3 4.36Å; L335-A373 HydrophobicContact CD1-CB 3.69Å; L335-F376 HydrophobicContact CB-CD1 3.64Å; L335-F376 HydrophobicContact CB-CE1 3.63Å; L335-F376 HydrophobicContact CB-CG 4.3Å; L335-F376 HydrophobicContact CB-CZ 4.31Å; L335-F376 HydrophobicContact CD1-CD1 4.07Å
336K88.1Confident86.9Confident77 Ų7740.9 Ų40.934%0.33521%0.205SC..Hα-helixtrans-60.6-43.9172.5-169.2-172.8-174.7-49.50112.2P332 H333 I334 M338 Y339 D340 F376P332-K336 WeakPolarHBondContact O-CB 3.43Å; P332-K336 PolarHBondContact O-N 2.8Å; H333-K336 PolarHBondContact O-N 3.4Å; I334-K336 VanDerWaalsContact C-N 3.28Å; I334-K336 PolarHBondContact O-N 2.78Å; K336-M338 VanDerWaalsContact C-N 3.33Å; K336-M338 PolarHBondContact O-N 2.79Å; K336-Y339 PolarHBondContact O-N 2.87Å; K336-D340 IonicContact NZ-OD1 3.8Å; K336-D340 PolarHBondContact NZ-OD1 3.18Å; K336-D340 IonicContact NZ-OD2 2.76Å; K336-D340 PolarHBondContact NZ-OD2 2.85Å; K336-D340 WeakPolarHBondContact O-CB 3.37Å; K336-D340 PolarHBondContact O-N 3Å; K336-F376 HydrophobicContact CB-CD2 4.05Å; K336-F376 HydrophobicContact CB-CE2 3.75Å; K336-F376 HydrophobicContact CG-CE2 4.06Å
337E89.1Confident87.2Confident20 Ų2041.7 Ų41.79%0.09321%0.209CC..Hα-helixtrans-67.1-33.3178.1-76-178154.900112.9R288 R292 H333 I334 L335 A341R288-E337 WeakPolarHBondContact CB-OE2 3.44Å; R288-E337 WeakPolarHBondContact CG-OE2 3.26Å; R288-E337 IonicContact CZ-OE1 3.8Å; R288-E337 VanDerWaalsContact CZ-OE1 3.32Å; R288-E337 IonicContact CZ-OE2 3.71Å; R288-E337 VanDerWaalsContact NE-CD 3.31Å; R288-E337 IonicContact NE-OE1 3.35Å; R288-E337 PolarHBondContact NE-OE1 3.08Å; R288-E337 VanDerWaalsContact NE-OE1 3.12Å; R288-E337 IonicContact NE-OE2 3.94Å; R288-E337 PolarHBondContact NE-OE2 3.27Å; R288-E337 IonicContact NH2-OE1 2.69Å; R288-E337 PolarHBondContact NH2-OE1 3.37Å; R288-E337 IonicContact NH2-OE2 2.81Å; R292-E337 IonicContact CZ-OE1 2.81Å; R292-E337 IonicContact NE-OE1 3.73Å; R292-E337 IonicContact NH2-OE1 2.84Å; R292-E337 PolarHBondContact NH2-OE1 2.95Å; H333-E337 WeakPolarHBondContact O-CG 3.2Å; H333-E337 PolarHBondContact O-N 3.13Å; I334-E337 PolarHBondContact O-N 3.31Å; I334-E337 VanDerWaalsContact O-N 3.09Å; L335-E337 PolarHBondContact O-N 3.28Å; E337-A341 WeakPolarHBondContact O-CB 3.29Å; E337-A341 PolarHBondContact O-N 2.95Å
338M89.2Confident87.5Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-69-39.1173.4-69.5-176.5174.200111.9F283 I287 I291 F316 I334 L335 K336 A341 L343 L344F283-M338 HydrophobicContact CE2-CE 4.15Å; I287-M338 HydrophobicContact CD1-CE 4.11Å; I291-M338 HydrophobicContact CD1-CE 3.71Å; I291-M338 HydrophobicContact CD1-CG 3.77Å; I291-M338 HydrophobicContact CG1-CE 4.18Å; I291-M338 HydrophobicContact CG1-CG 4.38Å; F316-M338 HydrophobicContact CB-CE 4.35Å; F316-M338 HydrophobicContact CD2-CE 4.02Å; F316-M338 HydrophobicContact CG-CE 4.44Å; I334-M338 HydrophobicContact CG2-CE 3.87Å; I334-M338 HydrophobicContact CG2-CG 4.48Å; I334-M338 HydrophobicContact CG2-SD 4.38Å; I334-M338 WeakPolarHBondContact O-CG 3.48Å; I334-M338 PolarHBondContact O-N 2.77Å; L335-M338 PolarHBondContact O-N 2.91Å; K336-M338 VanDerWaalsContact C-N 3.33Å; K336-M338 PolarHBondContact O-N 2.79Å; M338-A341 PolarHBondContact O-N 2.97Å; M338-L343 WeakPolarHBondContact O-CB 3.35Å; M338-L343 PolarHBondContact O-N 3.06Å; M338-L344 HydrophobicContact CB-CD1 3.78Å; M338-L344 HydrophobicContact CB-CG 4.25Å; M338-L344 HydrophobicContact SD-CD1 3.97Å
339Y89.9Confident87.8Confident71 Ų7140.7 Ų40.728%0.27820%0.204SC..Hα-helixtrans-66.5-50.5173.8178.5-95.3000111.7L335 K336 A341 D342 E346 I349 F376 W379 L380L335-Y339 WeakPolarHBondContact O-CB 3.34Å; L335-Y339 PolarHBondContact O-N 3.47Å; K336-Y339 PolarHBondContact O-N 2.87Å; Y339-A341 PolarHBondContact O-N 3.41Å; Y339-A341 VanDerWaalsContact O-N 3.09Å; Y339-D342 PolarHBondContact O-N 3.35Å; Y339-E346 HydrophobicContact CE2-CB 4.26Å; Y339-I349 HydrophobicContact CD2-CD1 4.03Å; Y339-F376 HydrophobicContact CG-CZ 4.31Å; Y339-W379 HydrophobicContact CD1-CH2 4.45Å; Y339-W379 HydrophobicContact CD1-CZ3 4.32Å; Y339-W379 HydrophobicContact CE1-CH2 4.19Å; Y339-W379 HydrophobicContact CE1-CZ3 4.25Å; Y339-L380 HydrophobicContact CD2-CD2 4.24Å; Y339-L380 HydrophobicContact CE1-CD2 4.36Å; Y339-L380 HydrophobicContact CE2-CD2 3.88Å
340D88.8Confident87.9Confident88 Ų8838.4 Ų38.447%0.47119%0.186SC..Hα-helixtrans-59.9-23.2176.2-67.7-14.1000112.1K336 D342K336-D340 IonicContact NZ-OD1 3.8Å; K336-D340 PolarHBondContact NZ-OD1 3.18Å; K336-D340 IonicContact NZ-OD2 2.76Å; K336-D340 PolarHBondContact NZ-OD2 2.85Å; K336-D340 WeakPolarHBondContact O-CB 3.37Å; K336-D340 PolarHBondContact O-N 3Å; D340-D342 VanDerWaalsContact C-N 3.35Å
341A87.1Confident87.8Confident11 Ų1136.5 Ų36.59%0.09118%0.183CC..THydrogen-bonded Turntrans-88.74.5176.700000113.9I291 R295 E337 M338 Y339 L343I291-A341 HydrophobicContact CG2-CB 4.36Å; R295-A341 HydrophobicContact CG-CB 4.26Å; R295-A341 PolarHBondContact NE-O 2.84Å; R295-A341 PolarHBondContact NH2-O 3.04Å; E337-A341 WeakPolarHBondContact O-CB 3.29Å; E337-A341 PolarHBondContact O-N 2.95Å; M338-A341 PolarHBondContact O-N 2.97Å; Y339-A341 PolarHBondContact O-N 3.41Å; Y339-A341 VanDerWaalsContact O-N 3.09Å; A341-L343 HydrophobicContact CB-CD1 4.25Å; A341-L343 HydrophobicContact CB-CG 3.93Å; A341-L343 PolarHBondContact O-N 3.48Å
342D87.4Confident87.7Confident104 Ų10437 Ų3756%0.55619%0.185SC*.THydrogen-bonded Turntrans58.729.3-176.4-45.4-72.8000113.4R295 L299 Y339 D340R295-D342 IonicContact CZ-OD2 3.88Å; R295-D342 IonicContact NH2-OD2 3.38Å; R295-D342 PolarHBondContact NH2-OD2 3.4Å; L299-D342 HydrophobicContact CD1-CB 4.29Å; Y339-D342 PolarHBondContact O-N 3.35Å; D340-D342 VanDerWaalsContact C-N 3.35Å
343L87Confident87.4Confident1 Ų137.2 Ų37.21%0.00519%0.188CC..SBendtrans-89.7-23.9179.2-58.4-176.2000112.8I291 R295 F298 L299 C302 Q309 L312 M338 A341I291-L343 HydrophobicContact CG2-CD1 4.11Å; R295-L343 HydrophobicContact CG-CD2 4.41Å; F298-L343 HydrophobicContact CB-CD1 3.94Å; F298-L343 HydrophobicContact CB-CD2 3.59Å; F298-L343 HydrophobicContact CB-CG 4.36Å; F298-L343 HydrophobicContact CG-CD1 4.42Å; L299-L343 HydrophobicContact CB-CD2 4.22Å; C302-L343 WeakPolarHBondContact CB-O 3.45Å; Q309-L343 WeakPolarHBondContact CG-O 3.39Å; L312-L343 HydrophobicContact CD2-CB 3.93Å; M338-L343 WeakPolarHBondContact O-CB 3.35Å; M338-L343 PolarHBondContact O-N 3.06Å; A341-L343 HydrophobicContact CB-CD1 4.25Å; A341-L343 HydrophobicContact CB-CG 3.93Å; A341-L343 PolarHBondContact O-N 3.48Å
344L88.8Confident87Confident5 Ų538.8 Ų38.83%0.02620%0.196CC..SBendtrans-133.2127.1-177.3-66.1175.1000109.5Q309 L312 L313 L335 M338 I349Q309-L344 HydrophobicContact CB-CD2 3.94Å; Q309-L344 HydrophobicContact CG-CD2 4.48Å; L312-L344 HydrophobicContact CB-CD2 4.41Å; L312-L344 HydrophobicContact CD2-CD2 3.94Å; L312-L344 HydrophobicContact CD2-CG 4.24Å; L312-L344 HydrophobicContact CG-CD2 4.33Å; L313-L344 HydrophobicContact CD1-CD2 4.31Å; L313-L344 HydrophobicContact CD2-CD1 3.64Å; L313-L344 HydrophobicContact CD2-CD2 4.24Å; L313-L344 HydrophobicContact CG-CD1 4.22Å; L313-L344 HydrophobicContact CG-CD2 3.88Å; L335-L344 HydrophobicContact CD2-CD1 4.43Å; M338-L344 HydrophobicContact CB-CD1 3.78Å; M338-L344 HydrophobicContact CB-CG 4.25Å; M338-L344 HydrophobicContact SD-CD1 3.97Å; L344-I349 HydrophobicContact CB-CD1 3.75Å; L344-I349 HydrophobicContact CB-CG1 3.93Å; L344-I349 HydrophobicContact CD1-CD1 4.38Å; L344-I349 HydrophobicContact CD1-CG1 4.22Å
345E88.4Confident86.3Confident65 Ų6544.8 Ų44.830%0.30422%0.222SC..  trans-79.5152170.8-69.2165.8-142.400110.7Q309 E347 V348 I349Q309-E345 PolarHBondContact NE2-OE1 3.47Å; E345-E347 PolarHBondContact O-N 3.43Å; E345-V348 HydrophobicContact CB-CG2 4.31Å; E345-V348 PolarHBondContact O-N 3.03Å; E345-I349 WeakPolarHBondContact O-CG1 3.19Å; E345-I349 PolarHBondContact O-N 3.17Å
346E85.9Confident84.8Confident18 Ų1848 Ų488%0.08425%0.249CC..Hα-helixtrans-58.8-48.5-178.6-177.3153.1-178.100112.4Y339 V348 I349 L350 L380 E384Y339-E346 HydrophobicContact CE2-CB 4.26Å; E346-V348 PolarHBondContact O-N 2.99Å; E346-V348 VanDerWaalsContact O-N 3.17Å; E346-I349 PolarHBondContact O-N 3.43Å; E346-L350 HydrophobicContact CG-CD1 4.02Å; E346-L350 HydrophobicContact CG-CG 4.26Å; E346-L350 WeakPolarHBondContact O-CG 3.38Å; E346-L350 PolarHBondContact O-N 3Å; E346-L380 HydrophobicContact CG-CB 4.44Å; E346-L380 HydrophobicContact CG-CD2 4.31Å; E346-L380 VanDerWaalsContact OE1-C 3.3Å; E346-L380 WeakPolarHBondContact OE1-CB 3.33Å; E346-L380 VanDerWaalsContact OE1-O 3.09Å; E346-E384 VanDerWaalsContact CD-OE2 3.24Å; E346-E384 WeakPolarHBondContact OE1-CG 2.9Å; E346-E384 VanDerWaalsContact OE1-OE2 3.12Å
347E85.8Confident83.2Confident97 Ų9745.6 Ų45.645%0.45324%0.242SC..Hα-helixtrans-53.5-39.8177.9-172.1-168139.800112.2K306 E345 S351K306-E347 WeakPolarHBondContact CE-OE2 3.34Å; K306-E347 IonicContact NZ-OE1 3.07Å; K306-E347 PolarHBondContact NZ-OE1 3.01Å; K306-E347 IonicContact NZ-OE2 3.54Å; K306-E347 PolarHBondContact NZ-OE2 3.29Å; E345-E347 PolarHBondContact O-N 3.43Å; E347-S351 VanDerWaalsContact O-CB 3.27Å; E347-S351 WeakPolarHBondContact O-CB 3.23Å; E347-S351 PolarHBondContact O-N 2.83Å
348V87.6Confident81.4Confident5 Ų553.8 Ų53.83%0.0328%0.277CS..Hα-helixtrans-71.5-39.8-179-179.30000111.1K306 Q309 R310 L313 E345 E346 S351 W352K306-V348 HydrophobicContact CB-CG2 3.97Å; K306-V348 HydrophobicContact CD-CG2 4.5Å; K306-V348 HydrophobicContact CG-CG2 3.97Å; Q309-V348 HydrophobicContact CB-CB 4.49Å; Q309-V348 HydrophobicContact CB-CG1 3.95Å; Q309-V348 HydrophobicContact CB-CG2 4.4Å; R310-V348 HydrophobicContact CG-CG1 3.76Å; L313-V348 HydrophobicContact CD1-CG1 4Å; E345-V348 HydrophobicContact CB-CG2 4.31Å; E345-V348 PolarHBondContact O-N 3.03Å; E346-V348 PolarHBondContact O-N 2.99Å; E346-V348 VanDerWaalsContact O-N 3.17Å; V348-S351 PolarHBondContact O-N 3.03Å; V348-W352 VanDerWaalsContact O-CB 3.32Å; V348-W352 WeakPolarHBondContact O-CB 3.35Å; V348-W352 PolarHBondContact O-N 2.84Å
349I87.1Confident80Confident0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-64.9-43.6176.7-65.2162.2000110.3Y339 L344 E345 E346 W352 A353 F376 I377 L380Y339-I349 HydrophobicContact CD2-CD1 4.03Å; L344-I349 HydrophobicContact CB-CD1 3.75Å; L344-I349 HydrophobicContact CB-CG1 3.93Å; L344-I349 HydrophobicContact CD1-CD1 4.38Å; L344-I349 HydrophobicContact CD1-CG1 4.22Å; E345-I349 WeakPolarHBondContact O-CG1 3.19Å; E345-I349 PolarHBondContact O-N 3.17Å; E346-I349 PolarHBondContact O-N 3.43Å; I349-W352 PolarHBondContact O-N 2.97Å; I349-A353 WeakPolarHBondContact O-CB 3.5Å; I349-A353 PolarHBondContact O-N 3.4Å; I349-F376 HydrophobicContact CD1-CE1 4.18Å; I349-F376 HydrophobicContact CG2-CE1 4.15Å; I349-I377 HydrophobicContact CG2-CD1 3.33Å; I349-L380 HydrophobicContact CB-CD1 4.25Å; I349-L380 HydrophobicContact CD1-CD1 4.14Å; I349-L380 HydrophobicContact CG2-CD1 3.76Å
350L86.6Confident78.5Confident29 Ų2957.3 Ų57.315%0.15229%0.293CS..Hα-helixtrans-63.5-47.4176.8-66-178.8000111.4E346 W352 A353 E354 I377 K381E346-L350 HydrophobicContact CG-CD1 4.02Å; E346-L350 HydrophobicContact CG-CG 4.26Å; E346-L350 WeakPolarHBondContact O-CG 3.38Å; E346-L350 PolarHBondContact O-N 3Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.9Å; L350-A353 PolarHBondContact O-N 3.4Å; L350-E354 WeakPolarHBondContact O-CG 3.4Å; L350-E354 PolarHBondContact O-N 3.23Å; L350-E354 VanDerWaalsContact O-N 3.15Å; L350-I377 HydrophobicContact CD2-CG2 3.89Å; L350-K381 HydrophobicContact CD2-CD 4.33Å; L350-K381 HydrophobicContact CD2-CG 3.82Å
351S85.8Confident77.4Confident41 Ų4153.9 Ų53.929%0.28728%0.275SS..Hα-helixtrans-59.3-40.2176.7-169.40000112.3E347 V348 E354 K355E347-S351 VanDerWaalsContact O-CB 3.27Å; E347-S351 WeakPolarHBondContact O-CB 3.23Å; E347-S351 PolarHBondContact O-N 2.83Å; V348-S351 PolarHBondContact O-N 3.03Å; S351-E354 PolarHBondContact O-N 3.08Å; S351-K355 WeakPolarHBondContact O-CB 3.42Å; S351-K355 PolarHBondContact O-N 3.35Å
352W85.7Confident76.8Confident12 Ų1256.7 Ų56.75%0.04529%0.294CS..Hα-helixtrans-70-35.2176.6168.284.2000113.3L313 E317 L335 V348 I349 L350 E354 K355 I369 R370 A373L313-W352 HydrophobicContact CB-CG 4.33Å; L313-W352 HydrophobicContact CD1-CB 3.61Å; L313-W352 HydrophobicContact CD1-CD2 4.19Å; L313-W352 HydrophobicContact CD1-CG 3.7Å; L313-W352 HydrophobicContact CD2-CD2 4.41Å; L313-W352 HydrophobicContact CG-CG 4.47Å; E317-W352 HydrophobicContact CG-CZ2 4.14Å; E317-W352 WeakPolarHBondContact OE1-CZ2 3.29Å; E317-W352 PolarHBondContact OE1-NE1 3.06Å; L335-W352 HydrophobicContact CD1-CZ3 4.36Å; V348-W352 VanDerWaalsContact O-CB 3.32Å; V348-W352 WeakPolarHBondContact O-CB 3.35Å; V348-W352 PolarHBondContact O-N 2.84Å; I349-W352 PolarHBondContact O-N 2.97Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.9Å; W352-E354 VanDerWaalsContact C-N 3.29Å; W352-E354 PolarHBondContact O-N 3.46Å; W352-K355 VanDerWaalsContact O-O 3.04Å; W352-I369 HydrophobicContact CH2-CG2 3.76Å; W352-I369 HydrophobicContact CZ2-CG2 3.87Å; W352-R370 HydrophobicContact CH2-CG 4.46Å; W352-A373 HydrophobicContact CH2-CB 4.41Å; W352-A373 HydrophobicContact CZ3-CB 4.23Å
353A81.4Confident76.2Confident30 Ų3059.1 Ų59.125%0.24830%0.299CS..Hα-helixtrans-64.5-36.6176.100000111.4I349 L350 I377I349-A353 WeakPolarHBondContact O-CB 3.5Å; I349-A353 PolarHBondContact O-N 3.4Å; L350-A353 PolarHBondContact O-N 3.4Å; A353-I377 HydrophobicContact CB-CD1 3.94Å; A353-I377 HydrophobicContact CB-CG1 4.05Å; A353-I377 HydrophobicContact CB-CG2 4.42Å
354E80.3Confident75.7Confident141 Ų14166.7 Ų66.766%0.65934%0.335SS*.Hα-helixtrans-78.4-38.2179.3-67.8176.5-17800112.7L350 S351 W352 A356 K381L350-E354 WeakPolarHBondContact O-CG 3.4Å; L350-E354 PolarHBondContact O-N 3.23Å; L350-E354 VanDerWaalsContact O-N 3.15Å; S351-E354 PolarHBondContact O-N 3.08Å; W352-E354 VanDerWaalsContact C-N 3.29Å; W352-E354 PolarHBondContact O-N 3.46Å; E354-A356 PolarHBondContact O-N 2.92Å; E354-K381 IonicContact OE1-NZ 3.19Å
355K73.2Confident75.3Confident125 Ų12566.9 Ų66.954%0.54334%0.336SS..SBendtrans-92101.8179.6-67.3178.9-179.71770111.3S351 W352 S357 R370S351-K355 WeakPolarHBondContact O-CB 3.42Å; S351-K355 PolarHBondContact O-N 3.35Å; W352-K355 VanDerWaalsContact O-O 3.04Å; K355-S357 PolarHBondContact O-N 2.88Å; K355-S357 VanDerWaalsContact O-N 3.12Å; K355-R370 PolarHBondContact O-NH2 3.13Å
356A57.8Low74.8Confident69 Ų6964 Ų6457%0.5732%0.323SS*.  trans-69.8106.3170.700000110.9E354E354-A356 PolarHBondContact O-N 2.92Å
357S55.1Low74.6Confident26 Ų2669 Ų6918%0.18234%0.344CS..  trans-72.3137.5174.4-172.80000110.8K355K355-S357 PolarHBondContact O-N 2.88Å; K355-S357 VanDerWaalsContact O-N 3.12Å
358K51.2Low74.6Confident192 Ų19268.4 Ų68.484%0.83534%0.342SS*.  trans-102.6-5.3-177.1-63.7178.7-175.2171.50113.7
359K58.5Low74.4Confident95 Ų9568.2 Ų68.241%0.41334%0.34SS..SBendtrans-104.9-25.2-159.6-69.5-174.1175.7-177.10115.7N398K359-N398 WeakPolarHBondContact CD-ND2 3.14Å; K359-N398 PolarHBondContact NZ-ND2 3.18Å; K359-N398 PolarHBondContact NZ-O 2.85Å
360Y60.1Low74.3Confident50 Ų5069.7 Ų69.720%0.19635%0.346CS..SBendtrans-104.4-31.3-173-63.2-81000114.1L276 H314L276-Y360 HydrophobicContact CD2-CE1 4.41Å; H314-Y360 HydrophobicContact CB-CD2 3.94Å; H314-Y360 HydrophobicContact CB-CE2 4.06Å; H314-Y360 HydrophobicContact CB-CG 4.18Å; H314-Y360 AromaticContact CD2-CE2 3.59Å; H314-Y360 AromaticContact CG-CD2 3.64Å; H314-Y360 AromaticContact CG-CE2 3.63Å; H314-Y360 AromaticContact ND1-CD2 3.74Å; H314-Y360 AromaticContact NE2-CE2 4Å
361V65.9Low74.3Confident16 Ų1672.1 Ų72.110%0.09736%0.362CS..SBendtrans-137157.8-176.5-69.50000111.6E317 A321 L365 A366E317-V361 HydrophobicContact CB-CG1 3.94Å; E317-V361 HydrophobicContact CB-CG2 4.17Å; E317-V361 WeakPolarHBondContact O-CG1 3.37Å; A321-V361 HydrophobicContact CB-CG1 3.83Å; V361-L365 HydrophobicContact CB-CD2 4.25Å; V361-L365 HydrophobicContact CG1-CD2 4.24Å; V361-A366 HydrophobicContact CG2-CB 3.86Å
362S74.4Confident74.3Confident69 Ų6974.5 Ų74.548%0.48337%0.367SS..  trans-58.5145177.574.90000110.8E364 L365 A366S362-E364 PolarHBondContact O-N 3.44Å; S362-E364 VanDerWaalsContact O-N 3.08Å; S362-L365 PolarHBondContact O-N 3.02Å; S362-L365 VanDerWaalsContact O-N 3.11Å; S362-L365 WeakPolarHBondContact OG-CB 3.2Å; S362-L365 PolarHBondContact OG-N 3.15Å; S362-A366 WeakPolarHBondContact O-CB 3.33Å; S362-A366 PolarHBondContact O-N 2.92Å
363K73.1Confident74.4Confident155 Ų15574 Ų7467%0.67437%0.365SS*.Hα-helixtrans-57.1-28.8-177.7-171.8178.8-177.9-178.20112.9K367K363-K367 VanDerWaalsContact O-CG 3.25Å; K363-K367 WeakPolarHBondContact O-CG 3.32Å; K363-K367 PolarHBondContact O-N 3.32Å
364E77.8Confident74.5Confident161 Ų16178.1 Ų78.175%0.75238%0.379SS*.Hα-helixtrans-73.1-48.8178.3-67.6172-175.500110.8S362 A366 K367 E368S362-E364 PolarHBondContact O-N 3.44Å; S362-E364 VanDerWaalsContact O-N 3.08Å; E364-A366 PolarHBondContact O-N 2.9Å; E364-K367 PolarHBondContact O-N 3.41Å; E364-E368 PolarHBondContact O-N 2.87Å
365L79.6Confident74.8Confident8 Ų875.4 Ų75.44%0.04237%0.374CS..Hα-helixtrans-65.7-41177.8-175.368.1000111.7A321 Q324 V361 S362 K367 E368 I369A321-L365 VanDerWaalsContact CA-CD2 3.46Å; A321-L365 HydrophobicContact CB-CD2 3.45Å; A321-L365 VanDerWaalsContact CB-CD2 3.45Å; Q324-L365 HydrophobicContact CG-CD1 3.94Å; Q324-L365 HydrophobicContact CG-CD2 4.38Å; V361-L365 HydrophobicContact CB-CD2 4.25Å; V361-L365 HydrophobicContact CG1-CD2 4.24Å; S362-L365 PolarHBondContact O-N 3.02Å; S362-L365 VanDerWaalsContact O-N 3.11Å; S362-L365 WeakPolarHBondContact OG-CB 3.2Å; S362-L365 PolarHBondContact OG-N 3.15Å; L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 3.47Å; L365-E368 PolarHBondContact O-N 3.04Å; L365-E368 VanDerWaalsContact O-N 3.13Å; L365-I369 HydrophobicContact CD1-CG1 4.47Å; L365-I369 HydrophobicContact CD2-CD1 4.38Å; L365-I369 HydrophobicContact CG-CD1 3.93Å; L365-I369 HydrophobicContact CG-CG1 4.33Å; L365-I369 WeakPolarHBondContact O-CB 3.42Å; L365-I369 VanDerWaalsContact O-CG1 3.28Å; L365-I369 WeakPolarHBondContact O-CG1 3.38Å; L365-I369 PolarHBondContact O-N 3.09Å
366A78.9Confident75.5Confident4 Ų469.9 Ų69.93%0.03335%0.35CS..Hα-helixtrans-56.9-40.9176.300000112.2V361 S362 E364 R370V361-A366 HydrophobicContact CG2-CB 3.86Å; S362-A366 WeakPolarHBondContact O-CB 3.33Å; S362-A366 PolarHBondContact O-N 2.92Å; E364-A366 PolarHBondContact O-N 2.9Å; A366-R370 WeakPolarHBondContact O-CG 3.2Å; A366-R370 PolarHBondContact O-N 2.97Å; A366-R370 PolarHBondContact O-NH1 3.32Å
367K82Confident76.9Confident124 Ų12467.4 Ų67.454%0.53933%0.327SS..Hα-helixtrans-69.8-43.2175.6-75.5174.6176.2-170.40111.2K363 E364 L365 I369 R370 V371K363-K367 VanDerWaalsContact O-CG 3.25Å; K363-K367 WeakPolarHBondContact O-CG 3.32Å; K363-K367 PolarHBondContact O-N 3.32Å; E364-K367 PolarHBondContact O-N 3.41Å; L365-K367 VanDerWaalsContact C-N 3.26Å; L365-K367 PolarHBondContact O-N 3.47Å; K367-I369 PolarHBondContact O-N 3.3Å; K367-R370 PolarHBondContact O-N 3.12Å; K367-V371 WeakPolarHBondContact O-CG2 3.49Å; K367-V371 PolarHBondContact O-N 3.25Å
368E84.4Confident78.4Confident85 Ų8572.3 Ų72.340%0.39735%0.345SS..Hα-helixtrans-61.8-44.4178.9-164.2-179.1-178.800111.9I328 E364 L365 R370 V371 K372I328-E368 HydrophobicContact CD1-CB 4.37Å; I328-E368 HydrophobicContact CD1-CG 3.79Å; I328-E368 HydrophobicContact CG1-CG 4.15Å; I328-E368 WeakPolarHBondContact CG1-OE1 3.17Å; E364-E368 PolarHBondContact O-N 2.87Å; L365-E368 PolarHBondContact O-N 3.04Å; L365-E368 VanDerWaalsContact O-N 3.13Å; E368-R370 VanDerWaalsContact C-N 3.29Å; E368-R370 PolarHBondContact O-N 2.9Å; E368-V371 PolarHBondContact O-N 3.05Å; E368-K372 WeakPolarHBondContact O-CG 3.48Å; E368-K372 PolarHBondContact O-N 3.24Å
369I84.6Confident80.2Confident0 Ų068.4 Ų68.40%033%0.325CS..Hα-helixtrans-55.4-45.8174.6-71.6169.8000110.7F316 E317 V320 I328 I331 W352 L365 K367 K372 A373F316-I369 HydrophobicContact CE1-CG2 4.41Å; E317-I369 HydrophobicContact CB-CD1 4.35Å; E317-I369 HydrophobicContact CG-CD1 4.21Å; V320-I369 HydrophobicContact CB-CD1 4.09Å; V320-I369 HydrophobicContact CG1-CD1 3.84Å; V320-I369 HydrophobicContact CG1-CG1 3.88Å; I328-I369 HydrophobicContact CD1-CG1 4.49Å; I331-I369 HydrophobicContact CD1-CB 4.15Å; I331-I369 HydrophobicContact CD1-CG1 3.88Å; I331-I369 HydrophobicContact CD1-CG2 4.19Å; W352-I369 HydrophobicContact CH2-CG2 3.76Å; W352-I369 HydrophobicContact CZ2-CG2 3.87Å; L365-I369 HydrophobicContact CD1-CG1 4.47Å; L365-I369 HydrophobicContact CD2-CD1 4.38Å; L365-I369 HydrophobicContact CG-CD1 3.93Å; L365-I369 HydrophobicContact CG-CG1 4.33Å; L365-I369 WeakPolarHBondContact O-CB 3.42Å; L365-I369 VanDerWaalsContact O-CG1 3.28Å; L365-I369 WeakPolarHBondContact O-CG1 3.38Å; L365-I369 PolarHBondContact O-N 3.09Å; K367-I369 PolarHBondContact O-N 3.3Å; I369-K372 PolarHBondContact O-N 2.84Å; I369-A373 WeakPolarHBondContact O-CB 3.45Å; I369-A373 PolarHBondContact O-N 3.3Å
370R83.4Confident81.4Confident31 Ų3163.9 Ų63.912%0.11731%0.306CS..Hα-helixtrans-67.2-44.3-179.7-73.6169.6179.669.15.9112E317 W352 K355 A366 K367 E368 K372 A373 E374E317-R370 IonicContact OE1-CZ 2.64Å; E317-R370 IonicContact OE1-NH1 3.63Å; E317-R370 PolarHBondContact OE1-NH1 3.37Å; E317-R370 IonicContact OE1-NH2 2.76Å; E317-R370 PolarHBondContact OE1-NH2 2.96Å; W352-R370 HydrophobicContact CH2-CG 4.46Å; K355-R370 PolarHBondContact O-NH2 3.13Å; A366-R370 WeakPolarHBondContact O-CG 3.2Å; A366-R370 PolarHBondContact O-N 2.97Å; A366-R370 PolarHBondContact O-NH1 3.32Å; K367-R370 PolarHBondContact O-N 3.12Å; E368-R370 VanDerWaalsContact C-N 3.29Å; E368-R370 PolarHBondContact O-N 2.9Å; R370-K372 PolarHBondContact O-N 3.08Å; R370-A373 CarbonylContact O-C 3.48Å; R370-A373 WeakPolarHBondContact O-CA 3.4Å; R370-A373 WeakPolarHBondContact O-CB 3.29Å; R370-A373 PolarHBondContact O-N 2.7Å; R370-E374 PolarHBondContact O-N 2.92Å
371V87.3Confident82.3Confident81 Ų8166.4 Ų66.449%0.49132%0.318SS..Hα-helixtrans-58.1-38.6175.2171.10000111.1K367 E368 E374K367-V371 WeakPolarHBondContact O-CG2 3.49Å; K367-V371 PolarHBondContact O-N 3.25Å; E368-V371 PolarHBondContact O-N 3.05Å; V371-E374 WeakPolarHBondContact O-CB 3.48Å
372K86.7Confident82.9Confident91 Ų9172.1 Ų72.140%0.39634%0.343SS..Hα-helixtrans-75.1-24.9175.7-63.9-62.8-177.7-175.80113.4I328 I331 E368 I369 R370 P375I328-K372 HydrophobicContact CD1-CG 4.27Å; I328-K372 HydrophobicContact CG1-CG 4.24Å; I331-K372 HydrophobicContact CB-CB 4.25Å; I331-K372 HydrophobicContact CD1-CB 4.09Å; I331-K372 HydrophobicContact CG2-CB 4.48Å; E368-K372 WeakPolarHBondContact O-CG 3.48Å; E368-K372 PolarHBondContact O-N 3.24Å; I369-K372 PolarHBondContact O-N 2.84Å; R370-K372 PolarHBondContact O-N 3.08Å; K372-P375 WeakPolarHBondContact O-CD 3.34Å
373A86Confident82.4Confident1 Ų172.2 Ų72.21%0.00835%0.349CS..Hα-helixtrans-80.2-21.5174.700000113I331 L335 W352 I369 R370 P375 F376 I377I331-A373 HydrophobicContact CG2-CB 4.24Å; L335-A373 HydrophobicContact CD1-CB 3.69Å; W352-A373 HydrophobicContact CH2-CB 4.41Å; W352-A373 HydrophobicContact CZ3-CB 4.23Å; I369-A373 WeakPolarHBondContact O-CB 3.45Å; I369-A373 PolarHBondContact O-N 3.3Å; R370-A373 CarbonylContact O-C 3.48Å; R370-A373 WeakPolarHBondContact O-CA 3.4Å; R370-A373 WeakPolarHBondContact O-CB 3.29Å; R370-A373 PolarHBondContact O-N 2.7Å; A373-P375 VanDerWaalsContact C-CD 3.42Å; A373-F376 WeakPolarHBondContact O-CA 3.41Å; A373-F376 WeakPolarHBondContact O-CB 3.39Å; A373-F376 PolarHBondContact O-N 2.77Å; A373-I377 HydrophobicContact CB-CG1 4.44Å; A373-I377 WeakPolarHBondContact O-CG1 3.15Å; A373-I377 PolarHBondContact O-N 3.11Å
374E84.3Confident81.2Confident116 Ų11669.3 Ų69.354%0.54234%0.337SS..Hα-helixtrans-46.9-44.5-179-77.1172.9-16400115R370 V371 F376 I377 K378R370-E374 PolarHBondContact O-N 2.92Å; V371-E374 WeakPolarHBondContact O-CB 3.48Å; E374-F376 PolarHBondContact O-N 2.84Å; E374-I377 PolarHBondContact O-N 3.03Å; E374-K378 VanDerWaalsContact O-CB 3.31Å; E374-K378 WeakPolarHBondContact O-CB 2.95Å; E374-K378 PolarHBondContact O-N 3.29Å
375P87.6Confident79.4Confident85 Ų8570.8 Ų70.855%0.55234%0.344SS*.Hα-helixtrans-61.4-33.9178-23.335.1000113.1K372 A373 W379K372-P375 WeakPolarHBondContact O-CD 3.34Å; A373-P375 VanDerWaalsContact C-CD 3.42Å; P375-W379 PolarHBondContact O-N 3.15Å; P375-W379 VanDerWaalsContact O-N 3.16Å
376F86.9Confident77.2Confident9 Ų978.7 Ų78.74%0.03938%0.381CS..Hα-helixtrans-77.2-42177.6175.8-109.9000111.5P332 L335 K336 Y339 I349 A373 E374 K378 W379 L380P332-F376 HydrophobicContact CB-CB 4.08Å; L335-F376 HydrophobicContact CB-CD1 3.64Å; L335-F376 HydrophobicContact CB-CE1 3.63Å; L335-F376 HydrophobicContact CB-CG 4.3Å; L335-F376 HydrophobicContact CB-CZ 4.31Å; L335-F376 HydrophobicContact CD1-CD1 4.07Å; K336-F376 HydrophobicContact CB-CD2 4.05Å; K336-F376 HydrophobicContact CB-CE2 3.75Å; K336-F376 HydrophobicContact CG-CE2 4.06Å; Y339-F376 HydrophobicContact CG-CZ 4.31Å; I349-F376 HydrophobicContact CD1-CE1 4.18Å; I349-F376 HydrophobicContact CG2-CE1 4.15Å; A373-F376 WeakPolarHBondContact O-CA 3.41Å; A373-F376 WeakPolarHBondContact O-CB 3.39Å; A373-F376 PolarHBondContact O-N 2.77Å; E374-F376 PolarHBondContact O-N 2.84Å; F376-K378 VanDerWaalsContact C-N 3.28Å; F376-K378 PolarHBondContact O-N 2.87Å; F376-W379 AromaticContact CD2-CE3 3.79Å; F376-W379 HydrophobicContact CD2-CE3 3.79Å; F376-W379 HydrophobicContact CD2-CZ3 4.28Å; F376-W379 AromaticContact CE2-CE3 3.56Å; F376-W379 HydrophobicContact CE2-CE3 3.56Å; F376-W379 AromaticContact CE2-CZ3 3.58Å; F376-W379 HydrophobicContact CE2-CZ3 3.58Å; F376-W379 HydrophobicContact CZ-CZ3 4.36Å; F376-W379 WeakPolarHBondContact O-CB 3.42Å; F376-W379 PolarHBondContact O-N 2.74Å; F376-W379 VanDerWaalsContact O-N 3.15Å; F376-L380 HydrophobicContact CD1-CD1 4.06Å; F376-L380 HydrophobicContact CE1-CD1 3.48Å; F376-L380 VanDerWaalsContact CE1-CD1 3.48Å; F376-L380 HydrophobicContact CE1-CG 4.16Å; F376-L380 HydrophobicContact CE2-CD1 4.47Å; F376-L380 HydrophobicContact CE2-CD2 4.48Å; F376-L380 HydrophobicContact CE2-CG 4.29Å; F376-L380 HydrophobicContact CZ-CD1 3.71Å; F376-L380 HydrophobicContact CZ-CD2 4.17Å; F376-L380 HydrophobicContact CZ-CG 3.98Å; F376-L380 PolarHBondContact O-N 3.36Å
377I87.4Confident74.9Confident16 Ų1683.4 Ų83.48%0.08241%0.414CS..Hα-helixtrans-61-40.6174.4-57.5-56.3000111I349 L350 A353 A373 E374 W379 L380 K381I349-I377 HydrophobicContact CG2-CD1 3.33Å; L350-I377 HydrophobicContact CD2-CG2 3.89Å; A353-I377 HydrophobicContact CB-CD1 3.94Å; A353-I377 HydrophobicContact CB-CG1 4.05Å; A353-I377 HydrophobicContact CB-CG2 4.42Å; A373-I377 HydrophobicContact CB-CG1 4.44Å; A373-I377 WeakPolarHBondContact O-CG1 3.15Å; A373-I377 PolarHBondContact O-N 3.11Å; E374-I377 PolarHBondContact O-N 3.03Å; I377-W379 VanDerWaalsContact C-N 3.34Å; I377-L380 PolarHBondContact O-N 3.26Å; I377-K381 HydrophobicContact CG2-CD 4.24Å; I377-K381 HydrophobicContact CG2-CG 4.46Å; I377-K381 WeakPolarHBondContact O-CG 3.37Å; I377-K381 PolarHBondContact O-N 3.39Å
378K87.6Confident72.6Confident129 Ų12982.6 Ų82.656%0.56142%0.424SS*.Hα-helixtrans-63.2-41.4175-178.3174.7170.9177.60111.5E374 F376 K381 E382E374-K378 VanDerWaalsContact O-CB 3.31Å; E374-K378 WeakPolarHBondContact O-CB 2.95Å; E374-K378 PolarHBondContact O-N 3.29Å; F376-K378 VanDerWaalsContact C-N 3.28Å; F376-K378 PolarHBondContact O-N 2.87Å; K378-K381 PolarHBondContact O-N 3.15Å; K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 HydrophobicContact CG-CG 4.43Å; K378-E382 IonicContact NZ-OE1 3.83Å; K378-E382 WeakPolarHBondContact O-CB 3.38Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.34Å
379W88Confident70.2Confident110 Ų11082.6 Ų82.642%0.41745%0.447SS..Hα-helixtrans-62.9-40.1175.3174.176.2000112.8Y339 P375 F376 I377 A383Y339-W379 HydrophobicContact CD1-CH2 4.45Å; Y339-W379 HydrophobicContact CD1-CZ3 4.32Å; Y339-W379 HydrophobicContact CE1-CH2 4.19Å; Y339-W379 HydrophobicContact CE1-CZ3 4.25Å; P375-W379 PolarHBondContact O-N 3.15Å; P375-W379 VanDerWaalsContact O-N 3.16Å; F376-W379 AromaticContact CD2-CE3 3.79Å; F376-W379 HydrophobicContact CD2-CE3 3.79Å; F376-W379 HydrophobicContact CD2-CZ3 4.28Å; F376-W379 AromaticContact CE2-CE3 3.56Å; F376-W379 HydrophobicContact CE2-CE3 3.56Å; F376-W379 AromaticContact CE2-CZ3 3.58Å; F376-W379 HydrophobicContact CE2-CZ3 3.58Å; F376-W379 HydrophobicContact CZ-CZ3 4.36Å; F376-W379 WeakPolarHBondContact O-CB 3.42Å; F376-W379 PolarHBondContact O-N 2.74Å; F376-W379 VanDerWaalsContact O-N 3.15Å; I377-W379 VanDerWaalsContact C-N 3.34Å; W379-A383 PolarHBondContact O-N 2.9Å
380L83.6Confident67.9Low1 Ų188.1 Ų88.11%0.00548%0.476CS..Hα-helixtrans-62.8-51.9173-74.6176.2000111.2Y339 E346 I349 F376 I377 E382 A383 E384Y339-L380 HydrophobicContact CD2-CD2 4.24Å; Y339-L380 HydrophobicContact CE1-CD2 4.36Å; Y339-L380 HydrophobicContact CE2-CD2 3.88Å; E346-L380 HydrophobicContact CG-CB 4.44Å; E346-L380 HydrophobicContact CG-CD2 4.31Å; E346-L380 VanDerWaalsContact OE1-C 3.3Å; E346-L380 WeakPolarHBondContact OE1-CB 3.33Å; E346-L380 VanDerWaalsContact OE1-O 3.09Å; I349-L380 HydrophobicContact CB-CD1 4.25Å; I349-L380 HydrophobicContact CD1-CD1 4.14Å; I349-L380 HydrophobicContact CG2-CD1 3.76Å; F376-L380 HydrophobicContact CD1-CD1 4.06Å; F376-L380 HydrophobicContact CE1-CD1 3.48Å; F376-L380 VanDerWaalsContact CE1-CD1 3.48Å; F376-L380 HydrophobicContact CE1-CG 4.16Å; F376-L380 HydrophobicContact CE2-CD1 4.47Å; F376-L380 HydrophobicContact CE2-CD2 4.48Å; F376-L380 HydrophobicContact CE2-CG 4.29Å; F376-L380 HydrophobicContact CZ-CD1 3.71Å; F376-L380 HydrophobicContact CZ-CD2 4.17Å; F376-L380 HydrophobicContact CZ-CG 3.98Å; F376-L380 PolarHBondContact O-N 3.36Å; I377-L380 PolarHBondContact O-N 3.26Å; L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 PolarHBondContact O-N 2.86Å; L380-A383 CarbonylContact O-C 3.52Å; L380-A383 WeakPolarHBondContact O-CA 3.32Å; L380-A383 WeakPolarHBondContact O-CB 3.46Å; L380-A383 PolarHBondContact O-N 3.12Å; L380-E384 PolarHBondContact O-N 3.38Å
381K78.4Confident65.7Low103 Ų10395.7 Ų95.745%0.44851%0.513SS..Hα-helixtrans-61.7-32.4178.3-69.8-174.6178.6-166.50114.1L350 E354 I377 K378 A383 E384L350-K381 HydrophobicContact CD2-CD 4.33Å; L350-K381 HydrophobicContact CD2-CG 3.82Å; E354-K381 IonicContact OE1-NZ 3.19Å; I377-K381 HydrophobicContact CG2-CD 4.24Å; I377-K381 HydrophobicContact CG2-CG 4.46Å; I377-K381 WeakPolarHBondContact O-CG 3.37Å; I377-K381 PolarHBondContact O-N 3.39Å; K378-K381 PolarHBondContact O-N 3.15Å; K381-A383 VanDerWaalsContact C-N 3.28Å; K381-E384 PolarHBondContact O-N 2.84Å
382E79.7Confident63.5Low135 Ų13598.8 Ų98.863%0.63152%0.522SS*.Hα-helixtrans-73.1-21.3173.3-76.9176.2179.200112.4K378 L380K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 HydrophobicContact CG-CG 4.43Å; K378-E382 IonicContact NZ-OE1 3.83Å; K378-E382 WeakPolarHBondContact O-CB 3.38Å; K378-E382 WeakPolarHBondContact O-CG 3.49Å; K378-E382 PolarHBondContact O-N 3.34Å; L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 PolarHBondContact O-N 2.86Å
383A63.3Low61Low72 Ų72103.1 Ų103.160%0.59554%0.544SS*.Hα-helixtrans-84.6-21.8172.800000113W379 L380 K381W379-A383 PolarHBondContact O-N 2.9Å; L380-A383 CarbonylContact O-C 3.52Å; L380-A383 WeakPolarHBondContact O-CA 3.32Å; L380-A383 WeakPolarHBondContact O-CB 3.46Å; L380-A383 PolarHBondContact O-N 3.12Å; K381-A383 VanDerWaalsContact C-N 3.28Å
384E47.5Very low58.9Low94 Ų94108.7 Ų108.744%0.43957%0.574SS.*  trans-115.953.3-177.5-84.3-163.4165.800114.2E346 L380 K381 E386E346-E384 VanDerWaalsContact CD-OE2 3.24Å; E346-E384 WeakPolarHBondContact OE1-CG 2.9Å; E346-E384 VanDerWaalsContact OE1-OE2 3.12Å; L380-E384 PolarHBondContact O-N 3.38Å; K381-E384 PolarHBondContact O-N 2.84Å; E384-E386 PolarHBondContact O-N 3.1Å
385E39.8Very low56.5Low191 Ų191112 Ų11289%0.89359%0.589SS**  trans-70.764166.2-153.7-177.4-148.600110.9
386E34.2Very low54.1Low174 Ų174113 Ų11381%0.81359%0.59SS**SBendtrans-171.9123.9147-76.7-139.5166.200112.9E384E384-E386 PolarHBondContact O-N 3.1Å
387S31.1Very low51.8Low104 Ų104120.9 Ų120.973%0.72763%0.627SS**  trans95.1108.7138.5-161.60000123
388S33.7Very low49.7Very low106 Ų106124 Ų12474%0.74164%0.643SS**  trans74.1105.4135.375.80000120.4
389G33.9Very low47.3Very low86 Ų86122.5 Ų122.589%0.88764%0.641SS**  trans-68.2133.7158.600000111.9
390N35.3Very low44.8Very low116 Ų116124 Ų12462%0.6265%0.652SS**  trans-111.7124.2168.3-15537.9000108E392N390-E392 PolarHBondContact ND2-OE1 3.11Å
391E38.3Very low42.4Very low189 Ų189125.6 Ų125.688%0.88366%0.662SS**  trans-80.3123.8167-74.4-178156.800107.9
392E40Very low40.2Very low147 Ų147125.7 Ų125.769%0.68767%0.671SS**  trans-124132.6165.3-68.9-165.7-177.700110.4N390N390-E392 PolarHBondContact ND2-OE1 3.11Å
393E34.4Very low37.9Very low182 Ų182124.1 Ų124.185%0.8566%0.66SS**  trans-79.2119.5178.8-64.9175.4156.100108.9
394D41.2Very low36.1Very low118 Ų118125.3 Ų125.363%0.63166%0.664SS**  trans-79.6117.6173.4-66.7-63.8000109.4R310R310-D394 IonicContact NH2-OD1 3.17Å
395E35.3Very low35.6Very low184 Ų184126.9 Ų126.986%0.8668%0.68SS**  trans-90.28175.4-78.4-175145.400114.5
396D36.7Very low35.1Very low108 Ų108123.1 Ų123.158%0.57867%0.67SS**SBendtrans-105121.6173.7-65.2-52.1000110K307 N398K307-D396 IonicContact NZ-OD2 2.94Å; K307-D396 PolarHBondContact NZ-OD2 2.86Å; D396-N398 PolarHBondContact O-N 3.47Å
397E38.3Very low35.2Very low174 Ų174120 Ų12081%0.81368%0.675SS**  trans-51.1112.3167-73.8-163.3164.100108.8I399E397-I399 HydrophobicContact CB-CG1 4.39Å; E397-I399 WeakPolarHBondContact O-CG1 3.36Å; E397-I399 PolarHBondContact O-N 2.75Å
398N44.3Very low35.2Very low81 Ų81120.4 Ų120.443%0.43368%0.677SS.*  trans-69.280.7178.4-179.317000109.2K359 D396K359-N398 WeakPolarHBondContact CD-ND2 3.14Å; K359-N398 PolarHBondContact NZ-ND2 3.18Å; K359-N398 PolarHBondContact NZ-O 2.85Å; D396-N398 PolarHBondContact O-N 3.47Å
399I36.4Very low35.2Very low98 Ų98121.6 Ų121.650%0.50368%0.68SS.*  trans-70.6134.3179.5-68156.5000109.8E397E397-I399 HydrophobicContact CB-CG1 4.39Å; E397-I399 WeakPolarHBondContact O-CG1 3.36Å; E397-I399 PolarHBondContact O-N 2.75Å
400E34.7Very low35Very low141 Ų141123.4 Ų123.466%0.65968%0.676SS**  trans-65.5129.6-178.1-70.9177.6155.200112V402E400-V402 HydrophobicContact CB-CG2 4.43Å
401V34.7Very low34.7Very low34 Ų34127.7 Ų127.721%0.20669%0.689CS.*  trans-119.393.1155.9-175.90000106.3Y403V401-Y403 HydrophobicContact CG1-CD2 4.18Å; V401-Y403 HydrophobicContact CG1-CE2 3.63Å
402V30.9Very low34.3Very low105 Ų105125 Ų12564%0.63669%0.685SS**  trans-104.5108.4173.9178.50000107.3E400 S404E400-V402 HydrophobicContact CB-CG2 4.43Å; V402-S404 PolarHBondContact O-N 3.09Å
403Y31.8Very low33.8Very low103 Ų103126.6 Ų126.640%0.40469%0.692SS.*  trans-75122.9169.9-70.6-77.4000110.2N239 V401 T405N239-Y403 WeakPolarHBondContact OD1-CE1 3.46Å; N239-Y403 PolarHBondContact OD1-OH 3.16Å; V401-Y403 HydrophobicContact CG1-CD2 4.18Å; V401-Y403 HydrophobicContact CG1-CE2 3.63Å; Y403-T405 PolarHBondContact O-N 2.98Å
404S26.2Very low33.4Very low97 Ų97124.1 Ų124.168%0.67869%0.69SS**  trans-62.4126.1167.11680000110.4V402 T406V402-S404 PolarHBondContact O-N 3.09Å; S404-T406 PolarHBondContact O-N 2.86Å
405T35.9Very low33Very low127 Ų127125.2 Ų125.278%0.77970%0.7SS**SBendtrans-80.315.3-177.6-30.80000113.9Y403Y403-T405 PolarHBondContact O-N 2.98Å
406T29.8Very low32.7Very low111 Ų111125.3 Ų125.368%0.68170%0.698SS**  trans-136.4109.2-178.352.70000112.7S404 S408S404-T406 PolarHBondContact O-N 2.86Å; T406-S408 PolarHBondContact O-N 3.49Å; T406-S408 VanDerWaalsContact O-N 3.11Å
407A36.8Very low32.4Very low110 Ų110126.4 Ų126.491%0.90971%0.711SS**  trans-62.4105.6161.400000109.8
408S30.4Very low32Very low112 Ų112122.7 Ų122.778%0.78371%0.71SS**  trans-174.7122.8138.4-139.80000110.6T406T406-S408 PolarHBondContact O-N 3.49Å; T406-S408 VanDerWaalsContact O-N 3.11Å
409V33.1Very low31.2Very low131 Ų131126 Ų12679%0.79473%0.728SS**  trans0.4125.5166.6-167.90000117.5
410P31.1Very low30.9Very low124 Ų124129.3 Ų129.381%0.80575%0.747SS**PPolyproline II helixtrans-81.8126.5169.92.514.9000111.6
411K28.6Very low30.7Very low206 Ų206131 Ų13190%0.89675%0.752SS**PPolyproline II helixtrans-90133.1161.8-142.2177-173.6-178.40107.5
412V29.5Very low30.6Very low131 Ų131136.1 Ų136.179%0.79478%0.778SS**PPolyproline II helixtrans-78.3122.8179.7177.40000110.1
413E29Very low30.8Very low181 Ų181138.7 Ų138.785%0.84679%0.788SS**  trans-134.4123.5156.9-80.1-170.1170.400110.5
414T27.7Very low31.1Very low131 Ų131141.9 Ų141.980%0.80481%0.812SS**  trans-81.3126.9173.8460000110.6
415V31.3Very low31.8Very low140 Ų140144.8 Ų144.885%0.84882%0.818SS**  trans-108.2122.6168.7-170.50000109.5
416K30.3Very low32Very low186 Ų186146.2 Ų146.281%0.80982%0.821SS**PPolyproline II helixtrans-72.3152.4175.8-71.2176.7178.4175.20111.2
417P29.4Very low32.5Very low132 Ų132148.7 Ų148.786%0.85783%0.829SS**PPolyproline II helixtrans-72.5131.1178.729.9-33000111.3
418A29.4Very low32.7Very low95 Ų95151.2 Ų151.279%0.78583%0.827SS**PPolyproline II helixtrans-88.5135.2171.700000110.5N420A418-N420 PolarHBondContact O-N 3.41Å
419N28.9Very low33.7Very low151 Ų151150 Ų15081%0.80782%0.824SS**PPolyproline II helixtrans-50.1127.2174.1-86.7-32.6000112.6
420N29.2Very low34Very low168 Ų168155.4 Ų155.490%0.89885%0.846SS**PPolyproline II helixtrans-81.8117.4155.2-80-18.2000108.6A418A418-N420 PolarHBondContact O-N 3.41Å
421K31.1Very low34.1Very low177 Ų177157 Ų15777%0.7785%0.848SS**  trans-118.9123.2157.5-81.3-173.2174-176.80107.4
422D32.3Very low34.4Very low140 Ų140154.4 Ų154.475%0.74985%0.845SS**  trans32.3118.9141.3-47.8-39000118
423D34.8Very low34.7Very low159 Ų159155.7 Ų155.785%0.8585%0.848SS**  trans-157.695.1136.7-87.1-33.4000108.8
424D37.4Very low35Very low170 Ų170154.2 Ų154.291%0.90985%0.848SS**  trans-65.2120.5162.7-81-41.4000108.9
425I40.8Very low35.5Very low158 Ų158155.7 Ų155.781%0.8185%0.851SS**  trans-103.1106.4172.3-64.3173.7000108.1
426D40.3Very low35.7Very low157 Ų157156.7 Ų156.784%0.8485%0.851SS**  trans-64.2130.4174.5-101.4-36.1000111.9
427I40.1Very low36.1Very low164 Ų164154.6 Ų154.684%0.84185%0.854SS**SBendtrans-100.516.8-169.5-135.4169.1000114.9
428D41.3Very low36.6Very low163 Ų163156.4 Ų156.487%0.87285%0.854SS**  trans-114.128.1-177.5-87.6-17.1000114.8
429A52.5Low37.2Very low86 Ų86161.5 Ų161.571%0.71186%0.859SS**  trans-133.388.1174.900000113.4
430I38.2Very low38Very low245 Ų245162.5 Ų162.5100%1.25686%0.864SS**  trans145.40138.1-74.5166.2000111.3

Retrieved 430 of 430 residues in 122.9 ms (Link to these results)

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