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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 H9ESU3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene EIF5, Length 431 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
1M60.7Low71.2Confident190 Ų19071.1 Ų71.194%0.93640%0.395SS*.  0131.30-63.4177.9-152.200109R20M1-R20 PolarHBondContact O-N 2.65Å
2S72.6Confident70.9Confident68 Ų6878.1 Ų78.148%0.47642%0.422SS..EExtended strand (participates in β ladder)trans-94.9136.3174.756.10000109.9M18S2-M18 CarbonylContact C-O 3.58Å; S2-M18 WeakPolarHBondContact CA-O 3.16Å
3V79.4Confident70.9Confident36 Ų3685.5 Ų85.522%0.21845%0.449CS..EExtended strand (participates in β ladder)trans-105.8149.1176.6177.10000109.1K17 M18 R20V3-K17 CarbonylContact O-C 3.59Å; V3-K17 WeakPolarHBondContact O-CA 3.33Å; V3-M18 PolarHBondContact N-O 3.46Å; V3-M18 PolarHBondContact O-N 3.32Å; V3-M18 VanDerWaalsContact O-O 3.08Å; V3-R20 HydrophobicContact CB-CG 4.44Å; V3-R20 HydrophobicContact CG2-CG 3.33Å
4N80.9Confident71.4Confident20 Ų2081.8 Ų81.811%0.10743%0.426CS..EExtended strand (participates in β ladder)trans-67139.4176.1-68.1-5.1000109.9N6 V9 D11 Y14N4-N6 PolarHBondContact O-N 2.85Å; N4-V9 PolarHBondContact ND2-O 3.1Å; N4-D11 PolarHBondContact ND2-O 3.41Å; N4-Y14 HydrophobicContact CB-CD1 3.81Å; N4-Y14 HydrophobicContact CB-CE1 4.48Å
5V76.4Confident71.8Confident4 Ų490.2 Ų90.22%0.02445%0.45CS..SBendtrans-62.9-33.9179.9171.90000111.2Y16 M18 L46 I93 P105V5-Y16 WeakPolarHBondContact CG2-O 3.45Å; V5-Y16 PolarHBondContact N-O 3.13Å; V5-M18 HydrophobicContact CG2-CB 4.03Å; V5-M18 HydrophobicContact CG2-CG 4.15Å; V5-L46 HydrophobicContact CG1-CD2 3.79Å; V5-L46 HydrophobicContact CG2-CD2 4.5Å; V5-I93 HydrophobicContact CG1-CD1 4.17Å; V5-I93 HydrophobicContact CG1-CG2 4.07Å; V5-I93 WeakPolarHBondContact O-CD1 3.34Å; V5-P105 HydrophobicContact CG1-CB 3.74Å; V5-P105 HydrophobicContact CG1-CG 4.19Å
6N71.2Confident72.5Confident5 Ų587.9 Ų87.93%0.02744%0.435CS..SBendtrans-103.6113.6170.5-166.5-5.6000110N4 S8 V9N4-N6 PolarHBondContact O-N 2.85Å; N6-S8 PolarHBondContact ND2-OG 3.31Å; N6-S8 PolarHBondContact O-N 3.07Å; N6-S8 PolarHBondContact OD1-N 2.67Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 2.95Å; N6-V9 HydrophobicContact CB-CG2 4.25Å; N6-V9 PolarHBondContact O-N 3.24Å; N6-V9 VanDerWaalsContact O-N 3.09Å
7R68.1Low73Confident148 Ų14888 Ų8856%0.55843%0.432SS*.THydrogen-bonded Turntrans-66.7-17.8177.8-163.8160.792.6-16615.4113.1V9 D87 D90R7-V9 VanDerWaalsContact C-N 3.26Å; R7-D87 IonicContact CZ-OD1 2.79Å; R7-D87 IonicContact NH1-OD1 3.09Å; R7-D87 PolarHBondContact NH1-OD1 3.05Å; R7-D87 IonicContact NH2-OD1 3.83Å; R7-D87 PolarHBondContact NH2-OD1 2.79Å; R7-D90 WeakPolarHBondContact CD-OD2 3.32Å; R7-D90 IonicContact CZ-OD2 3.91Å; R7-D90 IonicContact NE-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 3.69Å; R7-D90 PolarHBondContact NH1-OD2 2.76Å
8S67.3Low73.6Confident81 Ų8183.9 Ų83.957%0.56641%0.412SS*.THydrogen-bonded Turntrans-73.6-18.8172.967.10000113.1N6N6-S8 PolarHBondContact ND2-OG 3.31Å; N6-S8 PolarHBondContact O-N 3.07Å; N6-S8 PolarHBondContact OD1-N 2.67Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 2.95Å
9V70.8Confident74.2Confident44 Ų4481.7 Ų81.727%0.26741%0.405SS..  trans-102.7101177.7-174.60000108.2N4 N6 R7 D11 Y14N4-V9 PolarHBondContact ND2-O 3.1Å; N6-V9 HydrophobicContact CB-CG2 4.25Å; N6-V9 PolarHBondContact O-N 3.24Å; N6-V9 VanDerWaalsContact O-N 3.09Å; R7-V9 VanDerWaalsContact C-N 3.26Å; V9-D11 VanDerWaalsContact C-N 3.28Å; V9-D11 HydrophobicContact CG1-CB 4.04Å; V9-D11 PolarHBondContact O-N 2.75Å; V9-Y14 HydrophobicContact CB-CD2 4.31Å; V9-Y14 HydrophobicContact CB-CE2 4.29Å; V9-Y14 HydrophobicContact CG1-CD2 3.59Å; V9-Y14 HydrophobicContact CG1-CE2 3.92Å; V9-Y14 HydrophobicContact CG1-CG 4.09Å; V9-Y14 HydrophobicContact CG2-CE2 4.42Å
10S61.4Low74.7Confident102 Ų10283.9 Ų83.971%0.71341%0.408SS*.  trans-85.66.7179.952.30000114Q12S10-Q12 PolarHBondContact O-N 2.85Å
11D74.7Confident75.2Confident84 Ų8480.3 Ų80.345%0.44939%0.391SS..  trans-61.5122.7-179.7-1784.1000111.7N4 V9 F13 Y14N4-D11 PolarHBondContact ND2-O 3.41Å; V9-D11 VanDerWaalsContact C-N 3.28Å; V9-D11 HydrophobicContact CG1-CB 4.04Å; V9-D11 PolarHBondContact O-N 2.75Å; D11-F13 PolarHBondContact O-N 3.36Å; D11-F13 PolarHBondContact OD1-N 2.92Å; D11-Y14 VanDerWaalsContact O-CB 3.26Å; D11-Y14 WeakPolarHBondContact O-CB 3.33Å; D11-Y14 PolarHBondContact O-N 3.08Å; D11-Y14 VanDerWaalsContact O-N 3.11Å
12Q67.5Low76.5Confident155 Ų15576.2 Ų76.272%0.72437%0.372SS*.THydrogen-bonded Turntrans-62.4-24.3178.8-168.7173.90.200112.5S10 K17S10-Q12 PolarHBondContact O-N 2.85Å; Q12-K17 PolarHBondContact O-NZ 2.8Å
13F71.2Confident77.2Confident175 Ų17574.1 Ų74.177%0.76836%0.359SS*.THydrogen-bonded Turntrans-99.210.5177.6-64.9-78.6000114.1D11 R15D11-F13 PolarHBondContact O-N 3.36Å; D11-F13 PolarHBondContact OD1-N 2.92Å; F13-R15 PolarHBondContact O-N 3.47Å
14Y76.7Confident77.5Confident33 Ų3378.5 Ų78.513%0.12938%0.375CS..  trans-54.3129.2179.4-170.4-118.4000111.7N4 V9 D11 Y16 K17N4-Y14 HydrophobicContact CB-CD1 3.81Å; N4-Y14 HydrophobicContact CB-CE1 4.48Å; V9-Y14 HydrophobicContact CB-CD2 4.31Å; V9-Y14 HydrophobicContact CB-CE2 4.29Å; V9-Y14 HydrophobicContact CG1-CD2 3.59Å; V9-Y14 HydrophobicContact CG1-CE2 3.92Å; V9-Y14 HydrophobicContact CG1-CG 4.09Å; V9-Y14 HydrophobicContact CG2-CE2 4.42Å; D11-Y14 VanDerWaalsContact O-CB 3.26Å; D11-Y14 WeakPolarHBondContact O-CB 3.33Å; D11-Y14 PolarHBondContact O-N 3.08Å; D11-Y14 VanDerWaalsContact O-N 3.11Å; Y14-Y16 VanDerWaalsContact C-N 3.33Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.48Å; Y14-Y16 HydrophobicContact CE1-CD2 4.19Å; Y14-Y16 HydrophobicContact CE1-CG 4.44Å; Y14-Y16 VanDerWaalsContact CE1-O 3.24Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.34Å; Y14-Y16 HydrophobicContact CE2-CD2 4.39Å; Y14-Y16 AromaticContact CZ-CD2 3.85Å; Y14-Y16 PolarHBondContact O-N 3.4Å; Y14-K17 WeakPolarHBondContact O-CE 3.34Å; Y14-K17 WeakPolarHBondContact O-CG 3.15Å
15R78.4Confident77.9Confident208 Ų20881.2 Ų81.279%0.78539%0.392SS*.SBendtrans-64.9-35.4-172.2-176.6178.7178.790.9-0.7112.8F13F13-R15 PolarHBondContact O-N 3.47Å
16Y81.9Confident78.2Confident53 Ų5383.6 Ų83.621%0.20840%0.403CS..  trans-99.197.7-174.4-54.5-70000110.7V5 Y14 P105 E106V5-Y16 WeakPolarHBondContact CG2-O 3.45Å; V5-Y16 PolarHBondContact N-O 3.13Å; Y14-Y16 VanDerWaalsContact C-N 3.33Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.48Å; Y14-Y16 HydrophobicContact CE1-CD2 4.19Å; Y14-Y16 HydrophobicContact CE1-CG 4.44Å; Y14-Y16 VanDerWaalsContact CE1-O 3.24Å; Y14-Y16 WeakPolarHBondContact CE1-O 3.34Å; Y14-Y16 HydrophobicContact CE2-CD2 4.39Å; Y14-Y16 AromaticContact CZ-CD2 3.85Å; Y14-Y16 PolarHBondContact O-N 3.4Å; Y16-P105 HydrophobicContact CD1-CG 4.01Å; Y16-P105 HydrophobicContact CD2-CG 3.63Å; Y16-P105 HydrophobicContact CE2-CG 4.18Å; Y16-P105 HydrophobicContact CG-CG 3.52Å; Y16-E106 HydrophobicContact CE1-CG 3.68Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.31Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.39Å; Y16-E106 VanDerWaalsContact OH-CD 3.32Å; Y16-E106 PolarHBondContact OH-OE1 2.91Å
17K81.6Confident78.5Confident90 Ų9085.5 Ų85.539%0.39142%0.423SS..EExtended strand (participates in β ladder)trans-112.9143.8178.4-58.4-172.8178-176.70110.8V3 Q12 Y14V3-K17 CarbonylContact O-C 3.59Å; V3-K17 WeakPolarHBondContact O-CA 3.33Å; Q12-K17 PolarHBondContact O-NZ 2.8Å; Y14-K17 WeakPolarHBondContact O-CE 3.34Å; Y14-K17 WeakPolarHBondContact O-CG 3.15Å
18M84.3Confident78.7Confident14 Ų1488.4 Ų88.47%0.06944%0.44CS..EExtended strand (participates in β ladder)trans-120.7149171.762.7177.3179.900110.1S2 V3 V5 V42 A45 L89 I93S2-M18 CarbonylContact C-O 3.58Å; S2-M18 WeakPolarHBondContact CA-O 3.16Å; V3-M18 PolarHBondContact N-O 3.46Å; V3-M18 PolarHBondContact O-N 3.32Å; V3-M18 VanDerWaalsContact O-O 3.08Å; V5-M18 HydrophobicContact CG2-CB 4.03Å; V5-M18 HydrophobicContact CG2-CG 4.15Å; M18-V42 HydrophobicContact SD-CG1 4.4Å; M18-A45 HydrophobicContact CB-CB 4.05Å; M18-L89 HydrophobicContact CE-CD2 3.84Å; M18-L89 HydrophobicContact SD-CD2 3.84Å; M18-I93 HydrophobicContact CE-CD1 3.89Å; M18-I93 HydrophobicContact SD-CD1 3.88Å
19P85.6Confident79.2Confident42 Ų4286.9 Ų86.927%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-70150.6172.631.1-34.5000110.5N38 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.23Å; P19-N38 WeakPolarHBondContact CG-ND2 3.37Å; P19-D41 HydrophobicContact CG-CB 3.95Å; P19-V42 HydrophobicContact CG-CG2 3.94Å
20R83.5Confident79.5Confident126 Ų12693.6 Ų93.648%0.47547%0.472SS..PPolyproline II helixtrans-60.6143.1174.9-73.8-170.4174.9-167.5-2.1111M1 V3 I22 N38M1-R20 PolarHBondContact O-N 2.65Å; V3-R20 HydrophobicContact CB-CG 4.44Å; V3-R20 HydrophobicContact CG2-CG 3.33Å; R20-I22 PolarHBondContact O-N 3.04Å; R20-N38 PolarHBondContact O-ND2 2.78Å
21L85.7Confident80.3Confident8 Ų891.3 Ų91.34%0.04246%0.464CS..PPolyproline II helixtrans-73.5122.3178.2-171.7135.8000109.8A23 I36 F57 L85 Q86 L89L21-A23 HydrophobicContact CD2-CB 4.09Å; L21-I36 HydrophobicContact CD1-CG2 4.05Å; L21-I36 HydrophobicContact CD2-CG2 4.27Å; L21-I36 HydrophobicContact CG-CG2 4Å; L21-F57 HydrophobicContact CD1-CE2 4.23Å; L21-F57 HydrophobicContact CD1-CZ 4.17Å; L21-L85 HydrophobicContact CD2-CB 3.72Å; L21-L85 HydrophobicContact CD2-CD1 3.96Å; L21-L85 HydrophobicContact CD2-CG 4.48Å; L21-Q86 HydrophobicContact CB-CG 4Å; L21-L89 HydrophobicContact CD1-CD1 3.73Å
22I86.4Confident80.8Confident104 Ų10489.9 Ų89.953%0.53346%0.456SS..  trans-106.1113.9177.4-57.4171.1000107.8R20 V37 N38R20-I22 PolarHBondContact O-N 3.04Å; I22-V37 PolarHBondContact O-N 2.84Å; I22-V37 VanDerWaalsContact O-N 3.12Å; I22-N38 HydrophobicContact CB-CB 4.27Å; I22-N38 HydrophobicContact CG1-CB 4.49Å
23A87.3Confident81.8Confident25 Ų2585.5 Ų85.521%0.20744%0.435CS..EExtended strand (participates in β ladder)trans-111.4131.9177.300000109.7L21 T34 A82 L85L21-A23 HydrophobicContact CD2-CB 4.09Å; A23-T34 HydrophobicContact CB-CG2 3.75Å; A23-A82 HydrophobicContact CB-CB 4.46Å; A23-L85 HydrophobicContact CB-CD1 3.63Å
24K87.6Confident82.7Confident127 Ų12777.1 Ų77.155%0.55240%0.398SS*.EExtended strand (participates in β ladder)trans-114.6121.5175.6-174173.7-176174.90109.1V35 V37K24-V35 PolarHBondContact N-O 3.02Å; K24-V35 PolarHBondContact O-N 3.27Å; K24-V37 HydrophobicContact CB-CG2 4.37Å
25V87.5Confident83.2Confident77 Ų7776 Ų7647%0.46739%0.394SS..EExtended strand (participates in β ladder)trans-79123.8174.9-174.90000108.7I32V25-I32 HydrophobicContact CG1-CG2 3.37Å
26E84.1Confident83.7Confident54 Ų5466.1 Ų66.125%0.25236%0.357SS..EExtended strand (participates in β ladder)trans-116.3142.5172.9-71.1-172.4-170.100110.5K33 V35 R73E26-K33 HydrophobicContact CB-CG 3.97Å; E26-K33 PolarHBondContact N-O 2.96Å; E26-K33 VanDerWaalsContact O-CG 3.25Å; E26-K33 WeakPolarHBondContact O-CG 3.41Å; E26-K33 PolarHBondContact O-N 3.3Å; E26-K33 WeakPolarHBondContact OE2-CE 3.39Å; E26-K33 IonicContact OE2-NZ 3.79Å; E26-V35 HydrophobicContact CB-CG2 4.29Å; E26-V35 HydrophobicContact CG-CG2 3.94Å; E26-R73 IonicContact OE1-CZ 3.17Å; E26-R73 IonicContact OE1-NH2 3.89Å; E26-R73 PolarHBondContact OE1-NH2 3.42Å; E26-R73 IonicContact OE2-CZ 2.66Å; E26-R73 IonicContact OE2-NH2 2.94Å; E26-R73 PolarHBondContact OE2-NH2 2.84Å
27G75.9Confident83.9Confident45 Ų4568.2 Ų68.246%0.46438%0.375SS..  trans97.1154.218000000113.1
28K74.4Confident84.3Confident209 Ų20965 Ų6591%0.90936%0.362SS*.SBendtrans-128.8137.6174.8-66-174.3177.1-173.30107.7
29G77.4Confident84.3Confident49 Ų4964.3 Ų64.351%0.50536%0.359SS..SBendtrans86.7-149.1179.800000114.8G31 I32G29-G31 PolarHBondContact O-N 3.17Å; G29-I32 VanDerWaalsContact O-CD1 3.3Å; G29-I32 WeakPolarHBondContact O-CD1 3.36Å; G29-I32 WeakPolarHBondContact O-CG1 3.49Å; G29-I32 PolarHBondContact O-N 3.1Å
30N76.2Confident84.4Confident186 Ų18664.7 Ų64.7100%0.99536%0.36SS*.THydrogen-bonded Turntrans-672-174.6-72.46.5000115.5
31G78.3Confident84.5Confident54 Ų5463 Ų6356%0.55736%0.361SS*.THydrogen-bonded Turntrans-120.226.7179.900000113.8G29 K33G29-G31 PolarHBondContact O-N 3.17Å; G31-K33 PolarHBondContact O-N 3.13Å
32I86.1Confident84.6Confident53 Ų5362.7 Ų62.727%0.27236%0.359SS..  trans-64.6130.1176.1-64.5154.8000109.5V25 G29 G78V25-I32 HydrophobicContact CG1-CG2 3.37Å; G29-I32 VanDerWaalsContact O-CD1 3.3Å; G29-I32 WeakPolarHBondContact O-CD1 3.36Å; G29-I32 WeakPolarHBondContact O-CG1 3.49Å; G29-I32 PolarHBondContact O-N 3.1Å; I32-G78 WeakPolarHBondContact O-CA 3.4Å; I32-G78 PolarHBondContact O-N 2.89Å
33K88.7Confident84.6Confident63 Ų6357.8 Ų57.827%0.27433%0.334SS..EExtended strand (participates in β ladder)trans-132.5138.5179.360.6-178.3-179.8-177.10109.3E26 G31 I75E26-K33 HydrophobicContact CB-CG 3.97Å; E26-K33 PolarHBondContact N-O 2.96Å; E26-K33 VanDerWaalsContact O-CG 3.25Å; E26-K33 WeakPolarHBondContact O-CG 3.41Å; E26-K33 PolarHBondContact O-N 3.3Å; E26-K33 WeakPolarHBondContact OE2-CE 3.39Å; E26-K33 IonicContact OE2-NZ 3.79Å; G31-K33 PolarHBondContact O-N 3.13Å; K33-I75 HydrophobicContact CB-CG2 3.7Å; K33-I75 HydrophobicContact CD-CG2 3.94Å; K33-I75 HydrophobicContact CG-CG2 4.14Å
34T88.5Confident84.5Confident0 Ų064.3 Ų64.30%036%0.358CS..EExtended strand (participates in β ladder)trans-100119.5176.6-57.80000108.9A23 V76 G78 H80 L85A23-T34 HydrophobicContact CB-CG2 3.75Å; T34-V76 PolarHBondContact N-O 2.89Å; T34-V76 PolarHBondContact O-N 3.27Å; T34-G78 PolarHBondContact N-O 3.48Å; T34-G78 PolarHBondContact OG1-O 3.43Å; T34-H80 PolarHBondContact OG1-N 3.06Å; T34-H80 VanDerWaalsContact OG1-N 3.1Å; T34-L85 HydrophobicContact CG2-CD1 4.04Å
35V88.8Confident84.4Confident8 Ų860.1 Ų60.15%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-98.8123.1177.9-174.90000108.9K24 E26 R73 Y74 I75K24-V35 PolarHBondContact N-O 3.02Å; K24-V35 PolarHBondContact O-N 3.27Å; E26-V35 HydrophobicContact CB-CG2 4.29Å; E26-V35 HydrophobicContact CG-CG2 3.94Å; V35-R73 HydrophobicContact CG1-CG 3.81Å; V35-Y74 WeakPolarHBondContact CA-O 3.49Å; V35-I75 HydrophobicContact CG2-CG1 4.17Å
36I88.4Confident84.2Confident1 Ų156.6 Ų56.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-93.8110.8177.5-52.8173.6000107.9L21 M39 F57 Y74 V76L21-I36 HydrophobicContact CD1-CG2 4.05Å; L21-I36 HydrophobicContact CD2-CG2 4.27Å; L21-I36 HydrophobicContact CG-CG2 4Å; I36-M39 HydrophobicContact CB-CB 4.36Å; I36-M39 HydrophobicContact CB-CE 4.4Å; I36-M39 HydrophobicContact CD1-CE 3.51Å; I36-M39 HydrophobicContact CG2-CB 3.84Å; I36-M39 HydrophobicContact CG2-CE 4.05Å; I36-F57 HydrophobicContact CD1-CD2 3.77Å; I36-F57 HydrophobicContact CD1-CE2 3.7Å; I36-Y74 PolarHBondContact N-O 3.19Å; I36-V76 HydrophobicContact CD1-CG2 4.25Å
37V86.6Confident84.1Confident97 Ų9758.5 Ų58.559%0.58834%0.337SS*.SBendtrans-79-37.2-175.1-175.10000110.9I22 K24I22-V37 PolarHBondContact O-N 2.84Å; I22-V37 VanDerWaalsContact O-N 3.12Å; K24-V37 HydrophobicContact CB-CG2 4.37Å
38N88.1Confident84.6Confident22 Ų2257.2 Ų57.212%0.11832%0.319CS..SBendtrans-99.222.2-170.1-164.830000114P19 R20 I22 D41 V42P19-N38 WeakPolarHBondContact CB-ND2 3.23Å; P19-N38 WeakPolarHBondContact CG-ND2 3.37Å; R20-N38 PolarHBondContact O-ND2 2.78Å; I22-N38 HydrophobicContact CB-CB 4.27Å; I22-N38 HydrophobicContact CG1-CB 4.49Å; N38-D41 WeakPolarHBondContact OD1-CB 3.14Å; N38-D41 PolarHBondContact OD1-OD2 2.84Å; N38-V42 WeakPolarHBondContact O-CG2 3.33Å; N38-V42 PolarHBondContact O-N 3.37Å
39M85.2Confident85.1Confident0 Ų049.1 Ų49.10%029%0.288CS..Hα-helixtrans-70.4-34.7-173.2-179.261.677.600112.5I36 V42 A43 P50 P53 T54 F57 Y74I36-M39 HydrophobicContact CB-CB 4.36Å; I36-M39 HydrophobicContact CB-CE 4.4Å; I36-M39 HydrophobicContact CD1-CE 3.51Å; I36-M39 HydrophobicContact CG2-CB 3.84Å; I36-M39 HydrophobicContact CG2-CE 4.05Å; M39-V42 PolarHBondContact O-N 2.82Å; M39-A43 WeakPolarHBondContact O-CB 3.33Å; M39-A43 PolarHBondContact O-N 3.17Å; M39-P50 HydrophobicContact CG-CB 3.72Å; M39-P53 HydrophobicContact CE-CB 4.22Å; M39-P53 HydrophobicContact SD-CB 3.91Å; M39-P53 HydrophobicContact SD-CG 4.27Å; M39-T54 WeakPolarHBondContact CE-OG1 3.45Å; M39-F57 HydrophobicContact CE-CD2 4.12Å; M39-F57 HydrophobicContact CE-CE2 3.54Å; M39-Y74 HydrophobicContact CB-CD2 3.42Å; M39-Y74 VanDerWaalsContact CB-CD2 3.42Å; M39-Y74 HydrophobicContact CB-CE2 3.89Å; M39-Y74 HydrophobicContact CB-CG 4.04Å; M39-Y74 HydrophobicContact CG-CD1 4.47Å; M39-Y74 HydrophobicContact CG-CD2 3.71Å; M39-Y74 HydrophobicContact CG-CE2 4.02Å; M39-Y74 HydrophobicContact CG-CG 3.95Å
40V87.1Confident85.5Confident50 Ų5048.1 Ų48.130%0.30327%0.272SS..Hα-helixtrans-64.4-44.1-178-178.50000111.3A43 K44 D72 Y74V40-A43 PolarHBondContact O-N 2.97Å; V40-K44 WeakPolarHBondContact O-CB 3.43Å; V40-K44 PolarHBondContact O-N 2.79Å; V40-D72 HydrophobicContact CG2-CB 3.78Å; V40-Y74 HydrophobicContact CG2-CE2 3.84Å
41D87Confident85.9Confident91 Ų9140.8 Ų40.849%0.48723%0.234SC..Hα-helixtrans-69.2-38.9-178.9-63.7-47000111.9P19 N38 K44 A45P19-D41 HydrophobicContact CG-CB 3.95Å; N38-D41 WeakPolarHBondContact OD1-CB 3.14Å; N38-D41 PolarHBondContact OD1-OD2 2.84Å; D41-K44 PolarHBondContact O-N 3.09Å; D41-A45 PolarHBondContact O-N 3.36Å
42V86.1Confident86.3Confident1 Ų138.4 Ų38.41%0.00621%0.208CC..Hα-helixtrans-64.9-43.6173.5177.70000110.8M18 P19 N38 M39 K44 A45 L46 L89M18-V42 HydrophobicContact SD-CG1 4.4Å; P19-V42 HydrophobicContact CG-CG2 3.94Å; N38-V42 WeakPolarHBondContact O-CG2 3.33Å; N38-V42 PolarHBondContact O-N 3.37Å; M39-V42 PolarHBondContact O-N 2.82Å; V42-K44 VanDerWaalsContact C-N 3.32Å; V42-K44 PolarHBondContact O-N 3.27Å; V42-A45 PolarHBondContact O-N 3.29Å; V42-L46 HydrophobicContact CG1-CD1 4.02Å; V42-L46 WeakPolarHBondContact O-CG 3.49Å; V42-L46 PolarHBondContact O-N 3.44Å; V42-L89 HydrophobicContact CG1-CD1 3.83Å
43A86.4Confident86.3Confident2 Ų235.9 Ų35.92%0.01720%0.195CC..Hα-helixtrans-62.8-39.3178.200000112.1M39 V40 L46 N47 R48 P50M39-A43 WeakPolarHBondContact O-CB 3.33Å; M39-A43 PolarHBondContact O-N 3.17Å; V40-A43 PolarHBondContact O-N 2.97Å; A43-L46 PolarHBondContact O-N 3.38Å; A43-N47 PolarHBondContact O-N 2.89Å; A43-N47 VanDerWaalsContact O-N 3.14Å; A43-R48 CarbonylContact C-O 3.48Å; A43-R48 VanDerWaalsContact CB-O 3.31Å; A43-R48 WeakPolarHBondContact CB-O 3.41Å; A43-R48 PolarHBondContact O-N 3.12Å; A43-P50 HydrophobicContact CB-CB 3.64Å; A43-P50 HydrophobicContact CB-CG 4.31Å
44K85.8Confident86.2Confident162 Ų16232.9 Ų32.970%0.70418%0.182SC*.Hα-helixtrans-63.8-41.3174-169.6175.7-177.6178.70112.1V40 D41 V42 L46 N47V40-K44 WeakPolarHBondContact O-CB 3.43Å; V40-K44 PolarHBondContact O-N 2.79Å; D41-K44 PolarHBondContact O-N 3.09Å; V42-K44 VanDerWaalsContact C-N 3.32Å; V42-K44 PolarHBondContact O-N 3.27Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.05Å; K44-N47 PolarHBondContact O-N 3.03Å
45A85.3Confident86.1Confident39 Ų3935.8 Ų35.832%0.32220%0.195SC..Hα-helixtrans-64-33.8175.600000112.6M18 D41 V42 N47M18-A45 HydrophobicContact CB-CB 4.05Å; D41-A45 PolarHBondContact O-N 3.36Å; V42-A45 PolarHBondContact O-N 3.29Å; A45-N47 VanDerWaalsContact C-N 3.33Å
46L83.4Confident86.1Confident2 Ų235.6 Ų35.61%0.0119%0.193CC..THydrogen-bonded Turntrans-85.3-1.5178.5-61.8174.5000113.6V5 V42 A43 K44 R48 I93 V97V5-L46 HydrophobicContact CG1-CD2 3.79Å; V5-L46 HydrophobicContact CG2-CD2 4.5Å; V42-L46 HydrophobicContact CG1-CD1 4.02Å; V42-L46 WeakPolarHBondContact O-CG 3.49Å; V42-L46 PolarHBondContact O-N 3.44Å; A43-L46 PolarHBondContact O-N 3.38Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.05Å; L46-R48 HydrophobicContact CB-CB 4.47Å; L46-R48 HydrophobicContact CB-CG 4.46Å; L46-R48 PolarHBondContact O-N 3.17Å; L46-I93 HydrophobicContact CD1-CD1 4.49Å; L46-I93 HydrophobicContact CD1-CG1 4.25Å; L46-I93 HydrophobicContact CD2-CD1 3.85Å; L46-I93 HydrophobicContact CD2-CG1 3.86Å; L46-V97 HydrophobicContact CD2-CG1 4.19Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å
47N82.9Confident86.1Confident94 Ų9435.6 Ų35.650%0.50319%0.193SC..THydrogen-bonded Turntrans5041.4-170.4-66.7-53.3000112.5A43 K44 A45A43-N47 PolarHBondContact O-N 2.89Å; A43-N47 VanDerWaalsContact O-N 3.14Å; K44-N47 PolarHBondContact O-N 3.03Å; A45-N47 VanDerWaalsContact C-N 3.33Å
48R85.4Confident86Confident19 Ų1931.2 Ų31.27%0.07217%0.168CC..SBendtrans-130152.6178.7-69.1-63177.6-90.4-3.7111A43 L46 T107A43-R48 CarbonylContact C-O 3.48Å; A43-R48 VanDerWaalsContact CB-O 3.31Å; A43-R48 WeakPolarHBondContact CB-O 3.41Å; A43-R48 PolarHBondContact O-N 3.12Å; L46-R48 HydrophobicContact CB-CB 4.47Å; L46-R48 HydrophobicContact CB-CG 4.46Å; L46-R48 PolarHBondContact O-N 3.17Å; R48-T107 PolarHBondContact NH1-O 3.2Å; R48-T107 PolarHBondContact NH2-O 2.79Å; R48-T107 PolarHBondContact NH2-OG1 3.41Å
49P85Confident85.9Confident39 Ų3931.8 Ų31.825%0.25317%0.173SC..  trans-67.8140.6172.528.4-33.8000110.2T51 Y52 P53P49-T51 PolarHBondContact O-N 3.04Å; P49-Y52 HydrophobicContact CG-CD1 3.92Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.88Å; P49-Y52 HydrophobicContact CG-CE2 3.61Å; P49-Y52 HydrophobicContact CG-CG 3.81Å; P49-Y52 PolarHBondContact O-N 2.88Å; P49-Y52 VanDerWaalsContact O-N 3.08Å; P49-P53 WeakPolarHBondContact O-CD 3.41Å
50P85.8Confident85.9Confident28 Ų2835.9 Ų35.918%0.18219%0.193CC..THydrogen-bonded Turntrans-64.6-12.6-17825.5-35.9000114.1M39 A43 Y52 T54 Y74M39-P50 HydrophobicContact CG-CB 3.72Å; A43-P50 HydrophobicContact CB-CB 3.64Å; A43-P50 HydrophobicContact CB-CG 4.31Å; P50-Y52 VanDerWaalsContact C-N 3.34Å; P50-T54 WeakPolarHBondContact O-CB 3.42Å; P50-T54 PolarHBondContact O-OG1 3.27Å; P50-Y74 HydrophobicContact CB-CE1 3.86Å; P50-Y74 HydrophobicContact CB-CE2 3.98Å; P50-Y74 VanDerWaalsContact CB-CZ 3.47Å; P50-Y74 WeakPolarHBondContact CB-OH 3.17Å; P50-Y74 HydrophobicContact CG-CE1 4.1Å; P50-Y74 HydrophobicContact CG-CE2 4.39Å; P50-Y74 WeakPolarHBondContact CG-OH 3.3Å
51T84.8Confident85.7Confident32 Ų3236.1 Ų36.120%0.19619%0.192CC..Hα-helixtrans-68.3-30.5173.455.70000112.6P49 K55 F67P49-T51 PolarHBondContact O-N 3.04Å; T51-K55 VanDerWaalsContact O-CB 3.27Å; T51-K55 WeakPolarHBondContact O-CB 3.31Å; T51-K55 PolarHBondContact O-N 3.23Å; T51-F67 HydrophobicContact CG2-CD1 4.46Å
52Y86.6Confident85.6Confident4 Ų435 Ų352%0.01620%0.202CC..Hα-helixtrans-74.5-51.3-176.1-65.9-3.4000113P49 P50 T54 K55 Y56 F140 I141 N144 P146P49-Y52 HydrophobicContact CG-CD1 3.92Å; P49-Y52 HydrophobicContact CG-CD2 3.66Å; P49-Y52 HydrophobicContact CG-CE1 3.88Å; P49-Y52 HydrophobicContact CG-CE2 3.61Å; P49-Y52 HydrophobicContact CG-CG 3.81Å; P49-Y52 PolarHBondContact O-N 2.88Å; P49-Y52 VanDerWaalsContact O-N 3.08Å; P50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-T54 VanDerWaalsContact C-N 3.31Å; Y52-T54 PolarHBondContact O-N 3.36Å; Y52-K55 PolarHBondContact O-N 3.36Å; Y52-Y56 PolarHBondContact O-N 3.18Å; Y52-F140 HydrophobicContact CD1-CD1 4.31Å; Y52-F140 HydrophobicContact CD1-CE1 4.28Å; Y52-I141 HydrophobicContact CD1-CG1 4.23Å; Y52-I141 HydrophobicContact CD2-CD1 4.39Å; Y52-I141 HydrophobicContact CD2-CG1 4.11Å; Y52-I141 HydrophobicContact CE1-CG1 4.04Å; Y52-I141 HydrophobicContact CE2-CD1 4.45Å; Y52-I141 HydrophobicContact CE2-CG1 3.92Å; Y52-I141 HydrophobicContact CE2-CG2 4.21Å; Y52-I141 HydrophobicContact CG-CG1 4.26Å; Y52-N144 PolarHBondContact OH-O 3.47Å; Y52-P146 WeakPolarHBondContact OH-CD 3.36Å
53P87.1Confident85.5Confident0 Ų036 Ų360%021%0.211CC..Hα-helixtrans-62.4-39.7176.9-20.232.4000111.9M39 P49 K55 Y56 F57 F92M39-P53 HydrophobicContact CE-CB 4.22Å; M39-P53 HydrophobicContact SD-CB 3.91Å; M39-P53 HydrophobicContact SD-CG 4.27Å; P49-P53 WeakPolarHBondContact O-CD 3.41Å; P53-K55 VanDerWaalsContact C-N 3.34Å; P53-K55 PolarHBondContact O-N 3.37Å; P53-Y56 VanDerWaalsContact O-CB 3.31Å; P53-Y56 WeakPolarHBondContact O-CB 2.77Å; P53-Y56 PolarHBondContact O-N 2.77Å; P53-Y56 VanDerWaalsContact O-N 3.17Å; P53-F57 WeakPolarHBondContact O-CD2 3.46Å; P53-F57 WeakPolarHBondContact O-CG 3.38Å; P53-F57 PolarHBondContact O-N 3.09Å; P53-F92 HydrophobicContact CB-CE1 4.46Å; P53-F92 HydrophobicContact CG-CD1 4.44Å; P53-F92 HydrophobicContact CG-CE1 3.94Å; P53-F92 HydrophobicContact CG-CZ 4.35Å
54T86.1Confident85.4Confident0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-63.1-40.4177.3-570000111.7M39 P50 Y52 Y56 F57 G58 T65 F67 Y74 V76M39-T54 WeakPolarHBondContact CE-OG1 3.45Å; P50-T54 WeakPolarHBondContact O-CB 3.42Å; P50-T54 PolarHBondContact O-OG1 3.27Å; Y52-T54 VanDerWaalsContact C-N 3.31Å; Y52-T54 PolarHBondContact O-N 3.36Å; T54-Y56 VanDerWaalsContact C-N 3.35Å; T54-F57 PolarHBondContact O-N 3.34Å; T54-G58 PolarHBondContact O-N 3.13Å; T54-T65 HydrophobicContact CG2-CG2 4.45Å; T54-T65 VanDerWaalsContact O-CG2 3.3Å; T54-T65 WeakPolarHBondContact O-CG2 3.48Å; T54-F67 HydrophobicContact CG2-CD1 3.84Å; T54-F67 HydrophobicContact CG2-CE1 3.37Å; T54-F67 HydrophobicContact CG2-CZ 4.26Å; T54-Y74 HydrophobicContact CG2-CD1 4.27Å; T54-V76 HydrophobicContact CG2-CG2 4.4Å
55K86.7Confident85.4Confident60 Ų6036.6 Ų36.626%0.26122%0.217SC..Hα-helixtrans-69.5-34175.3-172.963.1177.61750112.3T51 Y52 P53 F57 G58 C59 F67 L137 F140T51-K55 VanDerWaalsContact O-CB 3.27Å; T51-K55 WeakPolarHBondContact O-CB 3.31Å; T51-K55 PolarHBondContact O-N 3.23Å; Y52-K55 PolarHBondContact O-N 3.36Å; P53-K55 VanDerWaalsContact C-N 3.34Å; P53-K55 PolarHBondContact O-N 3.37Å; K55-F57 VanDerWaalsContact C-N 3.34Å; K55-G58 PolarHBondContact O-N 3.1Å; K55-C59 PolarHBondContact O-N 3.25Å; K55-C59 VanDerWaalsContact O-N 3.09Å; K55-F67 HydrophobicContact CB-CZ 4.05Å; K55-F67 HydrophobicContact CD-CZ 4.11Å; K55-L137 HydrophobicContact CB-CD1 3.68Å; K55-L137 HydrophobicContact CG-CD1 3.73Å; K55-F140 HydrophobicContact CB-CD1 4.04Å; K55-F140 HydrophobicContact CB-CE1 4.08Å; K55-F140 HydrophobicContact CB-CG 4.49Å; K55-F140 HydrophobicContact CD-CD2 4.21Å; K55-F140 HydrophobicContact CD-CE2 4.34Å; K55-F140 HydrophobicContact CD-CG 4.37Å; K55-F140 HydrophobicContact CG-CB 4.14Å; K55-F140 HydrophobicContact CG-CD1 3.79Å; K55-F140 HydrophobicContact CG-CD2 4.09Å; K55-F140 HydrophobicContact CG-CE1 4.16Å; K55-F140 HydrophobicContact CG-CE2 4.44Å; K55-F140 HydrophobicContact CG-CG 3.74Å; K55-F140 HydrophobicContact CG-CZ 4.47Å
56Y87.9Confident85.3Confident5 Ų540.6 Ų40.62%0.0223%0.229CC..Hα-helixtrans-58.5-46.9174.3-175.4-100.8000111Y52 P53 T54 G58 C59 E60 M88 F92 F96 H135 L137Y52-Y56 PolarHBondContact O-N 3.18Å; P53-Y56 VanDerWaalsContact O-CB 3.31Å; P53-Y56 WeakPolarHBondContact O-CB 2.77Å; P53-Y56 PolarHBondContact O-N 2.77Å; P53-Y56 VanDerWaalsContact O-N 3.17Å; T54-Y56 VanDerWaalsContact C-N 3.35Å; Y56-G58 VanDerWaalsContact C-N 3.3Å; Y56-G58 PolarHBondContact O-N 3.15Å; Y56-C59 PolarHBondContact O-N 2.89Å; Y56-E60 HydrophobicContact CD1-CG 4.11Å; Y56-E60 HydrophobicContact CE1-CG 3.61Å; Y56-E60 HydrophobicContact CE2-CG 4.08Å; Y56-E60 PolarHBondContact O-N 3.06Å; Y56-E60 PolarHBondContact OH-OE1 2.96Å; Y56-M88 WeakPolarHBondContact CE1-O 3Å; Y56-F92 HydrophobicContact CD1-CB 3.67Å; Y56-F92 HydrophobicContact CD1-CD2 4.27Å; Y56-F92 HydrophobicContact CD1-CG 4.34Å; Y56-F92 AromaticContact CD2-CD2 3.88Å; Y56-F92 HydrophobicContact CD2-CD2 3.88Å; Y56-F92 HydrophobicContact CE1-CB 3.78Å; Y56-F92 HydrophobicContact CE2-CD2 4.48Å; Y56-F92 HydrophobicContact CG-CB 4.06Å; Y56-F92 AromaticContact CG-CD2 3.76Å; Y56-F92 HydrophobicContact CG-CD2 3.76Å; Y56-F92 HydrophobicContact CG-CG 4.27Å; Y56-F96 HydrophobicContact CD2-CE2 4.02Å; Y56-F96 AromaticContact CE2-CE2 3.86Å; Y56-F96 HydrophobicContact CE2-CE2 3.86Å; Y56-H135 AromaticContact CD2-CE1 3.41Å; Y56-H135 VanDerWaalsContact CD2-CE1 3.41Å; Y56-H135 WeakPolarHBondContact CD2-CE1 3.19Å; Y56-H135 AromaticContact CD2-ND1 3.97Å; Y56-H135 AromaticContact CE2-CE1 3.27Å; Y56-H135 WeakPolarHBondContact CE2-CE1 3.21Å; Y56-H135 AromaticContact CE2-ND1 3.97Å; Y56-H135 AromaticContact CE2-NE2 3.47Å; Y56-H135 WeakPolarHBondContact CE2-NE2 3.44Å; Y56-L137 HydrophobicContact CD2-CD2 4.03Å
57F88.1Confident85.2Confident0 Ų043.3 Ų43.30%024%0.241CC..Hα-helixtrans-57-42.4174.4-61.1-37.4000112.7L21 I36 M39 P53 T54 K55 C59 E60 L61 V76 L85 M88 L89L21-F57 HydrophobicContact CD1-CE2 4.23Å; L21-F57 HydrophobicContact CD1-CZ 4.17Å; I36-F57 HydrophobicContact CD1-CD2 3.77Å; I36-F57 HydrophobicContact CD1-CE2 3.7Å; M39-F57 HydrophobicContact CE-CD2 4.12Å; M39-F57 HydrophobicContact CE-CE2 3.54Å; P53-F57 WeakPolarHBondContact O-CD2 3.46Å; P53-F57 WeakPolarHBondContact O-CG 3.38Å; P53-F57 PolarHBondContact O-N 3.09Å; T54-F57 PolarHBondContact O-N 3.34Å; K55-F57 VanDerWaalsContact C-N 3.34Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.49Å; F57-E60 PolarHBondContact O-N 3.25Å; F57-L61 HydrophobicContact CB-CD1 4.36Å; F57-L61 WeakPolarHBondContact O-CB 3.47Å; F57-L61 VanDerWaalsContact O-CG 3.32Å; F57-L61 WeakPolarHBondContact O-CG 3.41Å; F57-L61 PolarHBondContact O-N 3.21Å; F57-V76 HydrophobicContact CB-CG2 4.41Å; F57-L85 HydrophobicContact CD1-CD2 4.22Å; F57-L85 HydrophobicContact CD2-CD2 4.17Å; F57-L85 HydrophobicContact CE1-CD2 4.43Å; F57-L85 WeakPolarHBondContact CE1-O 3.1Å; F57-L85 HydrophobicContact CE2-CD2 4.36Å; F57-L85 HydrophobicContact CG-CD2 4.09Å; F57-L85 HydrophobicContact CZ-CD2 4.49Å; F57-M88 HydrophobicContact CD1-CB 3.93Å; F57-M88 HydrophobicContact CD1-CE 4.15Å; F57-M88 HydrophobicContact CE1-CB 3.82Å; F57-L89 HydrophobicContact CE1-CB 4.11Å; F57-L89 HydrophobicContact CZ-CB 3.95Å; F57-L89 HydrophobicContact CZ-CD1 4.03Å; F57-L89 HydrophobicContact CZ-CG 4.4Å
58G86.1Confident85Confident6 Ų641.7 Ų41.76%0.06223%0.232CC..Hα-helixtrans-62.3-34.4175.300000114T54 K55 Y56 G62 A63T54-G58 PolarHBondContact O-N 3.13Å; K55-G58 PolarHBondContact O-N 3.1Å; Y56-G58 VanDerWaalsContact C-N 3.3Å; Y56-G58 PolarHBondContact O-N 3.15Å; G58-G62 CarbonylContact O-C 3.34Å; G58-G62 WeakPolarHBondContact O-CA 3.31Å; G58-G62 PolarHBondContact O-N 2.91Å; G58-G62 VanDerWaalsContact O-N 3.12Å; G58-A63 CarbonylContact C-O 3.5Å; G58-A63 VanDerWaalsContact CA-O 3.26Å; G58-A63 WeakPolarHBondContact CA-O 3.48Å; G58-A63 PolarHBondContact O-N 2.85Å; G58-A63 VanDerWaalsContact O-N 3.07Å
59C84.6Confident84.5Confident34 Ų3445.6 Ų45.623%0.2326%0.258CS..Hα-helixtrans-74-41178.4-72.70000113K55 Y56 F57 K136K55-C59 PolarHBondContact O-N 3.25Å; K55-C59 VanDerWaalsContact O-N 3.09Å; Y56-C59 PolarHBondContact O-N 2.89Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.49Å; C59-K136 HydrophobicContact CB-CB 4.47Å
60E84.8Confident84Confident86 Ų8652.8 Ų52.840%0.40229%0.285SS..Hα-helixtrans-75.4-40.6-179.7-68-70.9-178.900111.7Y56 F57 G62 M88 H135Y56-E60 HydrophobicContact CD1-CG 4.11Å; Y56-E60 HydrophobicContact CE1-CG 3.61Å; Y56-E60 HydrophobicContact CE2-CG 4.08Å; Y56-E60 PolarHBondContact O-N 3.06Å; Y56-E60 PolarHBondContact OH-OE1 2.96Å; F57-E60 PolarHBondContact O-N 3.25Å; E60-G62 VanDerWaalsContact C-N 3.33Å; E60-M88 HydrophobicContact CB-SD 3.96Å; E60-H135 IonicContact OE1-NE2 3.33Å; E60-H135 PolarHBondContact OE1-NE2 3.31Å
61L84.4Confident83.5Confident54 Ų5457 Ų5728%0.28331%0.306SS..Hα-helixtrans-82.8-9.4179.4-64170.7000113.6F57 A63 V76 L85 M88F57-L61 HydrophobicContact CB-CD1 4.36Å; F57-L61 WeakPolarHBondContact O-CB 3.47Å; F57-L61 VanDerWaalsContact O-CG 3.32Å; F57-L61 WeakPolarHBondContact O-CG 3.41Å; F57-L61 PolarHBondContact O-N 3.21Å; L61-A63 HydrophobicContact CB-CB 4.18Å; L61-A63 PolarHBondContact O-N 3.45Å; L61-V76 HydrophobicContact CD1-CG1 4.08Å; L61-L85 HydrophobicContact CD1-CD2 4.3Å; L61-M88 HydrophobicContact CD1-CE 3.77Å; L61-M88 HydrophobicContact CD1-SD 4.33Å; L61-M88 HydrophobicContact CD2-CE 3.68Å; L61-M88 HydrophobicContact CD2-SD 3.62Å; L61-M88 HydrophobicContact CG-CE 3.78Å; L61-M88 HydrophobicContact CG-SD 3.71Å
62G83.8Confident83.1Confident69 Ų6959.7 Ų59.771%0.71132%0.319SS*.  trans65.318.4-172.100000113.7G58 E60G58-G62 CarbonylContact O-C 3.34Å; G58-G62 WeakPolarHBondContact O-CA 3.31Å; G58-G62 PolarHBondContact O-N 2.91Å; G58-G62 VanDerWaalsContact O-N 3.12Å; E60-G62 VanDerWaalsContact C-N 3.33Å
63A84.8Confident82.8Confident22 Ų2263.6 Ų63.618%0.18233%0.334CS..  trans-94.8150.2-176.100000112.6G58 L61 V76 N77G58-A63 CarbonylContact C-O 3.5Å; G58-A63 VanDerWaalsContact CA-O 3.26Å; G58-A63 WeakPolarHBondContact CA-O 3.48Å; G58-A63 PolarHBondContact O-N 2.85Å; G58-A63 VanDerWaalsContact O-N 3.07Å; L61-A63 HydrophobicContact CB-CB 4.18Å; L61-A63 PolarHBondContact O-N 3.45Å; A63-V76 HydrophobicContact CB-CG1 3.94Å; A63-N77 WeakPolarHBondContact CB-O 3.31Å
64Q83.5Confident82.8Confident155 Ų15563.8 Ų63.872%0.72434%0.335SS*.  trans-76.3137.2166.9-68.7-175.24.900110.2N77Q64-N77 WeakPolarHBondContact O-CB 3.27Å; Q64-N77 PolarHBondContact O-N 2.88Å
65T86.3Confident82.9Confident21 Ų2164.1 Ų64.113%0.12934%0.337CS..EExtended strand (participates in β ladder)trans-112.8131-178.555.70000109.3T54 F67 I75 V76T54-T65 HydrophobicContact CG2-CG2 4.45Å; T54-T65 VanDerWaalsContact O-CG2 3.3Å; T54-T65 WeakPolarHBondContact O-CG2 3.48Å; T65-F67 WeakPolarHBondContact OG1-CE2 3.41Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.45Å; T65-I75 CarbonylContact C-O 3.56Å; T65-I75 WeakPolarHBondContact CA-O 3.48Å; T65-V76 HydrophobicContact CG2-CG2 4.39Å
66Q82.4Confident83Confident122 Ų12261.3 Ų61.357%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-108.6131.9173.1-169-172.811.400109.3I75Q66-I75 HydrophobicContact CB-CB 4.25Å; Q66-I75 PolarHBondContact N-O 3.02Å; Q66-I75 PolarHBondContact O-N 3.28Å
67F81.6Confident83Confident60 Ų6064.5 Ų64.526%0.26334%0.342SS..EExtended strand (participates in β ladder)trans-115.5123.1-179.8-46.6-87.7000109.1T51 T54 K55 T65 Y74T51-F67 HydrophobicContact CG2-CD1 4.46Å; T54-F67 HydrophobicContact CG2-CD1 3.84Å; T54-F67 HydrophobicContact CG2-CE1 3.37Å; T54-F67 HydrophobicContact CG2-CZ 4.26Å; K55-F67 HydrophobicContact CB-CZ 4.05Å; K55-F67 HydrophobicContact CD-CZ 4.11Å; T65-F67 WeakPolarHBondContact OG1-CE2 3.41Å; T65-F67 WeakPolarHBondContact OG1-CZ 3.45Å; F67-Y74 HydrophobicContact CD1-CD1 4.12Å
68D80.1Confident82.9Confident60 Ų6065.7 Ų65.732%0.32135%0.354SS..EExtended strand (participates in β ladder)trans-113.995.8164.9-169-13.7000109.2K70 N71 D72 R73D68-K70 PolarHBondContact O-N 3.17Å; D68-K70 PolarHBondContact OD1-N 3.16Å; D68-K70 VanDerWaalsContact OD1-N 3.14Å; D68-N71 PolarHBondContact O-N 3.26Å; D68-N71 PolarHBondContact OD1-N 3.36Å; D68-N71 PolarHBondContact OD2-ND2 3.02Å; D68-D72 PolarHBondContact O-N 2.98Å; D68-R73 HydrophobicContact CB-CB 4.43Å; D68-R73 PolarHBondContact N-O 2.91Å; D68-R73 VanDerWaalsContact N-O 3.1Å; D68-R73 PolarHBondContact O-N 2.9Å
69V74.3Confident82.7Confident100 Ų10069.3 Ų69.361%0.60638%0.379SS*.THydrogen-bonded Turntrans-68.1-19.5-177.4-175.50000111.8
70K75.5Confident82.6Confident190 Ų19069.2 Ų69.283%0.82638%0.375SS*.THydrogen-bonded Turntrans-85.3-29.2-179.1-68.5-174.9178.9-178.10113D68D68-K70 PolarHBondContact O-N 3.17Å; D68-K70 PolarHBondContact OD1-N 3.16Å; D68-K70 VanDerWaalsContact OD1-N 3.14Å
71N74.3Confident82.6Confident116 Ų11670.3 Ų70.362%0.6238%0.38SS*.THydrogen-bonded Turntrans-108.19.9-177.7-66.4-54.5000112.4D68 R73D68-N71 PolarHBondContact O-N 3.26Å; D68-N71 PolarHBondContact OD1-N 3.36Å; D68-N71 PolarHBondContact OD2-ND2 3.02Å; N71-R73 HydrophobicContact CB-CB 4.43Å; N71-R73 PolarHBondContact O-N 3.33Å
72D75.4Confident82.7Confident90 Ų9069.1 Ų69.148%0.48138%0.378SS..THydrogen-bonded Turntrans48.933-177.3-69.3-40000113.7V40 D68 Y74V40-D72 HydrophobicContact CG2-CB 3.78Å; D68-D72 PolarHBondContact O-N 2.98Å; D72-Y74 WeakPolarHBondContact O-CD2 3.4Å; D72-Y74 WeakPolarHBondContact O-CE2 3.44Å
73R82.1Confident82.8Confident85 Ų8570.2 Ų70.232%0.32137%0.367SS..EExtended strand (participates in β ladder)trans-108.1115.5-172.3-162.9177.4-175.8-149.47.2110.5E26 V35 D68 N71 I75E26-R73 IonicContact OE1-CZ 3.17Å; E26-R73 IonicContact OE1-NH2 3.89Å; E26-R73 PolarHBondContact OE1-NH2 3.42Å; E26-R73 IonicContact OE2-CZ 2.66Å; E26-R73 IonicContact OE2-NH2 2.94Å; E26-R73 PolarHBondContact OE2-NH2 2.84Å; V35-R73 HydrophobicContact CG1-CG 3.81Å; D68-R73 HydrophobicContact CB-CB 4.43Å; D68-R73 PolarHBondContact N-O 2.91Å; D68-R73 VanDerWaalsContact N-O 3.1Å; D68-R73 PolarHBondContact O-N 2.9Å; N71-R73 HydrophobicContact CB-CB 4.43Å; N71-R73 PolarHBondContact O-N 3.33Å; R73-I75 HydrophobicContact CG-CD1 4.42Å; R73-I75 HydrophobicContact CG-CG1 4.19Å
74Y87.1Confident82.9Confident4 Ų475.3 Ų75.32%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-109.8117.8-179-56.2-80.7000109.7V35 I36 M39 V40 P50 T54 F67 D72V35-Y74 WeakPolarHBondContact CA-O 3.49Å; I36-Y74 PolarHBondContact N-O 3.19Å; M39-Y74 HydrophobicContact CB-CD2 3.42Å; M39-Y74 VanDerWaalsContact CB-CD2 3.42Å; M39-Y74 HydrophobicContact CB-CE2 3.89Å; M39-Y74 HydrophobicContact CB-CG 4.04Å; M39-Y74 HydrophobicContact CG-CD1 4.47Å; M39-Y74 HydrophobicContact CG-CD2 3.71Å; M39-Y74 HydrophobicContact CG-CE2 4.02Å; M39-Y74 HydrophobicContact CG-CG 3.95Å; V40-Y74 HydrophobicContact CG2-CE2 3.84Å; P50-Y74 HydrophobicContact CB-CE1 3.86Å; P50-Y74 HydrophobicContact CB-CE2 3.98Å; P50-Y74 VanDerWaalsContact CB-CZ 3.47Å; P50-Y74 WeakPolarHBondContact CB-OH 3.17Å; P50-Y74 HydrophobicContact CG-CE1 4.1Å; P50-Y74 HydrophobicContact CG-CE2 4.39Å; P50-Y74 WeakPolarHBondContact CG-OH 3.3Å; T54-Y74 HydrophobicContact CG2-CD1 4.27Å; F67-Y74 HydrophobicContact CD1-CD1 4.12Å; D72-Y74 WeakPolarHBondContact O-CD2 3.4Å; D72-Y74 WeakPolarHBondContact O-CE2 3.44Å
75I87.7Confident83Confident8 Ų868 Ų684%0.04135%0.351CS..EExtended strand (participates in β ladder)trans-118.6127.5-174.2-50.8-178000109K33 V35 T65 Q66 R73K33-I75 HydrophobicContact CB-CG2 3.7Å; K33-I75 HydrophobicContact CD-CG2 3.94Å; K33-I75 HydrophobicContact CG-CG2 4.14Å; V35-I75 HydrophobicContact CG2-CG1 4.17Å; T65-I75 CarbonylContact C-O 3.56Å; T65-I75 WeakPolarHBondContact CA-O 3.48Å; Q66-I75 HydrophobicContact CB-CB 4.25Å; Q66-I75 PolarHBondContact N-O 3.02Å; Q66-I75 PolarHBondContact O-N 3.28Å; R73-I75 HydrophobicContact CG-CD1 4.42Å; R73-I75 HydrophobicContact CG-CG1 4.19Å
76V89.1Confident83.1Confident1 Ų169.1 Ų69.11%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-112.9125172-174.80000107.7T34 I36 T54 F57 L61 A63 T65T34-V76 PolarHBondContact N-O 2.89Å; T34-V76 PolarHBondContact O-N 3.27Å; I36-V76 HydrophobicContact CD1-CG2 4.25Å; T54-V76 HydrophobicContact CG2-CG2 4.4Å; F57-V76 HydrophobicContact CB-CG2 4.41Å; L61-V76 HydrophobicContact CD1-CG1 4.08Å; A63-V76 HydrophobicContact CB-CG1 3.94Å; T65-V76 HydrophobicContact CG2-CG2 4.39Å
77N87.7Confident83.3Confident71 Ų7167.2 Ų67.238%0.3835%0.349SS..EExtended strand (participates in β ladder)trans-67.7139.5175.8-71.8-15.3000110.4A63 Q64 H80A63-N77 WeakPolarHBondContact CB-O 3.31Å; Q64-N77 WeakPolarHBondContact O-CB 3.27Å; Q64-N77 PolarHBondContact O-N 2.88Å; N77-H80 PolarHBondContact O-NE2 2.71Å
78G85Confident83.6Confident26 Ų2665.9 Ų65.927%0.26834%0.344SS..SBendtrans109.8160.5-176.400000113.4I32 T34I32-G78 WeakPolarHBondContact O-CA 3.4Å; I32-G78 PolarHBondContact O-N 2.89Å; T34-G78 PolarHBondContact N-O 3.48Å; T34-G78 PolarHBondContact OG1-O 3.43Å
79S81.9Confident83.9Confident82 Ų8263.2 Ų63.257%0.57333%0.33SS*.  trans-88.1104173.555.30000109.4
80H82.3Confident84.5Confident31 Ų3159.2 Ų59.214%0.14431%0.305CS..  trans-122126.6178.2-60.1-66.1000110.4T34 N77 L85T34-H80 PolarHBondContact OG1-N 3.06Å; T34-H80 VanDerWaalsContact OG1-N 3.1Å; N77-H80 PolarHBondContact O-NE2 2.71Å; H80-L85 HydrophobicContact CB-CD1 4.07Å; H80-L85 HydrophobicContact CB-CD2 4.24Å; H80-L85 HydrophobicContact CB-CG 4.05Å
81E85.9Confident85Confident109 Ų10951.2 Ų51.251%0.50928%0.276SS..  trans-73.5149.9173.5-165.9-175.8162.100110.5N83 K84 L85E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 3.46Å; E81-N83 PolarHBondContact OE1-ND2 3.4Å; E81-K84 PolarHBondContact O-N 3.3Å; E81-L85 PolarHBondContact O-N 3.25Å
82A85.7Confident85.6Confident29 Ų2945.8 Ų45.824%0.2425%0.247CC..Hα-helixtrans-59.4-36.6-178.200000112.7A23 L85 Q86A23-A82 HydrophobicContact CB-CB 4.46Å; A82-L85 PolarHBondContact O-N 2.87Å; A82-Q86 WeakPolarHBondContact O-CG 3.44Å; A82-Q86 PolarHBondContact O-N 3.41Å
83N87.1Confident86.2Confident92 Ų9241.6 Ų41.649%0.49223%0.225SC..Hα-helixtrans-62.6-47.7-179.2-65.7-32.7000112.1E81 L85 Q86 D87E81-N83 VanDerWaalsContact C-N 3.27Å; E81-N83 PolarHBondContact O-N 3.46Å; E81-N83 PolarHBondContact OE1-ND2 3.4Å; N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 PolarHBondContact O-N 3.27Å; N83-Q86 WeakPolarHBondContact O-CB 3.32Å; N83-Q86 PolarHBondContact O-N 2.88Å; N83-Q86 VanDerWaalsContact O-N 3.08Å; N83-D87 PolarHBondContact O-N 2.97Å
84K86.6Confident86.3Confident129 Ų12943.9 Ų43.956%0.56124%0.237SC*.Hα-helixtrans-62.2-38.5176.6-65.1179.8-176.51730111.9E81 Q86 D87 M88E81-K84 PolarHBondContact O-N 3.3Å; K84-Q86 VanDerWaalsContact C-N 3.32Å; K84-D87 PolarHBondContact O-N 3.25Å; K84-M88 WeakPolarHBondContact O-CE 3.16Å; K84-M88 WeakPolarHBondContact O-CG 3.42Å; K84-M88 PolarHBondContact O-N 3.11Å; K84-M88 VanDerWaalsContact O-N 3.16Å
85L86.1Confident86.1Confident1 Ų149.2 Ų49.21%0.00526%0.26CS..Hα-helixtrans-66.3-34.1175.7-71167.5000112.2L21 A23 T34 F57 L61 H80 E81 A82 N83 M88 L89L21-L85 HydrophobicContact CD2-CB 3.72Å; L21-L85 HydrophobicContact CD2-CD1 3.96Å; L21-L85 HydrophobicContact CD2-CG 4.48Å; A23-L85 HydrophobicContact CB-CD1 3.63Å; T34-L85 HydrophobicContact CG2-CD1 4.04Å; F57-L85 HydrophobicContact CD1-CD2 4.22Å; F57-L85 HydrophobicContact CD2-CD2 4.17Å; F57-L85 HydrophobicContact CE1-CD2 4.43Å; F57-L85 WeakPolarHBondContact CE1-O 3.1Å; F57-L85 HydrophobicContact CE2-CD2 4.36Å; F57-L85 HydrophobicContact CG-CD2 4.09Å; F57-L85 HydrophobicContact CZ-CD2 4.49Å; L61-L85 HydrophobicContact CD1-CD2 4.3Å; H80-L85 HydrophobicContact CB-CD1 4.07Å; H80-L85 HydrophobicContact CB-CD2 4.24Å; H80-L85 HydrophobicContact CB-CG 4.05Å; E81-L85 PolarHBondContact O-N 3.25Å; A82-L85 PolarHBondContact O-N 2.87Å; N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 PolarHBondContact O-N 3.27Å; L85-M88 HydrophobicContact CD2-CE 3.68Å; L85-M88 HydrophobicContact CG-CE 4.29Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 3Å
86Q87Confident85.7Confident45 Ų4549.2 Ų49.221%0.2126%0.26CS..Hα-helixtrans-68.3-45.6174.6-72.7179.32300111.9L21 A82 N83 K84 M88 L89 D90L21-Q86 HydrophobicContact CB-CG 4Å; A82-Q86 WeakPolarHBondContact O-CG 3.44Å; A82-Q86 PolarHBondContact O-N 3.41Å; N83-Q86 WeakPolarHBondContact O-CB 3.32Å; N83-Q86 PolarHBondContact O-N 2.88Å; N83-Q86 VanDerWaalsContact O-N 3.08Å; K84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-M88 VanDerWaalsContact C-N 3.3Å; Q86-M88 PolarHBondContact O-N 2.97Å; Q86-L89 WeakPolarHBondContact O-CA 3.24Å; Q86-L89 WeakPolarHBondContact O-CB 3.5Å; Q86-L89 PolarHBondContact O-N 2.95Å; Q86-D90 PolarHBondContact O-N 3.32Å
87D87.6Confident85.5Confident83 Ų8349.2 Ų49.244%0.44426%0.26SS..Hα-helixtrans-59.9-40.3176.9-73.6-35.8000112.5R7 N83 K84 L89 D90 G91R7-D87 IonicContact CZ-OD1 2.79Å; R7-D87 IonicContact NH1-OD1 3.09Å; R7-D87 PolarHBondContact NH1-OD1 3.05Å; R7-D87 IonicContact NH2-OD1 3.83Å; R7-D87 PolarHBondContact NH2-OD1 2.79Å; N83-D87 PolarHBondContact O-N 2.97Å; K84-D87 PolarHBondContact O-N 3.25Å; D87-L89 VanDerWaalsContact C-N 3.34Å; D87-D90 PolarHBondContact O-N 3.37Å; D87-G91 PolarHBondContact O-N 2.69Å
88M86.3Confident85.3Confident31 Ų3146.6 Ų46.615%0.15325%0.246CC..Hα-helixtrans-67.4-36.2174.1-70.2-174.9-66.900112Y56 F57 E60 L61 K84 L85 Q86 D90 G91 F92Y56-M88 WeakPolarHBondContact CE1-O 3Å; F57-M88 HydrophobicContact CD1-CB 3.93Å; F57-M88 HydrophobicContact CD1-CE 4.15Å; F57-M88 HydrophobicContact CE1-CB 3.82Å; E60-M88 HydrophobicContact CB-SD 3.96Å; L61-M88 HydrophobicContact CD1-CE 3.77Å; L61-M88 HydrophobicContact CD1-SD 4.33Å; L61-M88 HydrophobicContact CD2-CE 3.68Å; L61-M88 HydrophobicContact CD2-SD 3.62Å; L61-M88 HydrophobicContact CG-CE 3.78Å; L61-M88 HydrophobicContact CG-SD 3.71Å; K84-M88 WeakPolarHBondContact O-CE 3.16Å; K84-M88 WeakPolarHBondContact O-CG 3.42Å; K84-M88 PolarHBondContact O-N 3.11Å; K84-M88 VanDerWaalsContact O-N 3.16Å; L85-M88 HydrophobicContact CD2-CE 3.68Å; L85-M88 HydrophobicContact CG-CE 4.29Å; Q86-M88 VanDerWaalsContact C-N 3.3Å; Q86-M88 PolarHBondContact O-N 2.97Å; M88-D90 VanDerWaalsContact C-N 3.3Å; M88-D90 PolarHBondContact O-N 3.25Å; M88-G91 PolarHBondContact O-N 3.19Å; M88-F92 PolarHBondContact O-N 2.59Å
89L87.1Confident85.2Confident5 Ų545.4 Ų45.43%0.02623%0.233CC..Hα-helixtrans-65.2-37.8176.2-168.4145.3000110.9M18 L21 V42 F57 L85 Q86 D87 G91 F92 I93M18-L89 HydrophobicContact CE-CD2 3.84Å; M18-L89 HydrophobicContact SD-CD2 3.84Å; L21-L89 HydrophobicContact CD1-CD1 3.73Å; V42-L89 HydrophobicContact CG1-CD1 3.83Å; F57-L89 HydrophobicContact CE1-CB 4.11Å; F57-L89 HydrophobicContact CZ-CB 3.95Å; F57-L89 HydrophobicContact CZ-CD1 4.03Å; F57-L89 HydrophobicContact CZ-CG 4.4Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 PolarHBondContact O-N 3Å; Q86-L89 WeakPolarHBondContact O-CA 3.24Å; Q86-L89 WeakPolarHBondContact O-CB 3.5Å; Q86-L89 PolarHBondContact O-N 2.95Å; D87-L89 VanDerWaalsContact C-N 3.34Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 2.91Å; L89-F92 WeakPolarHBondContact O-CA 3.49Å; L89-F92 WeakPolarHBondContact O-CB 3.28Å; L89-F92 PolarHBondContact O-N 2.96Å; L89-F92 VanDerWaalsContact O-N 3.13Å; L89-I93 HydrophobicContact CD2-CD1 3.4Å; L89-I93 HydrophobicContact CD2-CG1 4.02Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.25Å
90D86.4Confident85.1Confident16 Ų1646.3 Ų46.39%0.08624%0.237CC..Hα-helixtrans-64.5-39.1173.3-68.7-19.3000111.5R7 Q86 D87 M88 F92 I93 K94R7-D90 WeakPolarHBondContact CD-OD2 3.32Å; R7-D90 IonicContact CZ-OD2 3.91Å; R7-D90 IonicContact NE-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 3.69Å; R7-D90 PolarHBondContact NH1-OD2 2.76Å; Q86-D90 PolarHBondContact O-N 3.32Å; D87-D90 PolarHBondContact O-N 3.37Å; M88-D90 VanDerWaalsContact C-N 3.3Å; M88-D90 PolarHBondContact O-N 3.25Å; D90-F92 VanDerWaalsContact C-N 3.29Å; D90-F92 PolarHBondContact O-N 3.36Å; D90-I93 PolarHBondContact O-N 2.98Å; D90-K94 WeakPolarHBondContact O-CG 3.28Å; D90-K94 PolarHBondContact O-N 2.84Å
91G86.4Confident84.9Confident22 Ų2251.1 Ų51.123%0.22726%0.26CS..Hα-helixtrans-59.1-38.9170.600000112.9D87 M88 L89 K95D87-G91 PolarHBondContact O-N 2.69Å; M88-G91 PolarHBondContact O-N 3.19Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 2.91Å; G91-K95 WeakPolarHBondContact O-CG 3.27Å; G91-K95 PolarHBondContact O-N 3.13Å
92F87.3Confident84.5Confident2 Ų247.5 Ų47.51%0.00925%0.246CC..Hα-helixtrans-66.7-45.5173.8175.3-102.1000112P53 Y56 M88 L89 D90 K94 K95 F96 V97 L137P53-F92 HydrophobicContact CB-CE1 4.46Å; P53-F92 HydrophobicContact CG-CD1 4.44Å; P53-F92 HydrophobicContact CG-CE1 3.94Å; P53-F92 HydrophobicContact CG-CZ 4.35Å; Y56-F92 HydrophobicContact CD1-CB 3.67Å; Y56-F92 HydrophobicContact CD1-CD2 4.27Å; Y56-F92 HydrophobicContact CD1-CG 4.34Å; Y56-F92 AromaticContact CD2-CD2 3.88Å; Y56-F92 HydrophobicContact CD2-CD2 3.88Å; Y56-F92 HydrophobicContact CE1-CB 3.78Å; Y56-F92 HydrophobicContact CE2-CD2 4.48Å; Y56-F92 HydrophobicContact CG-CB 4.06Å; Y56-F92 AromaticContact CG-CD2 3.76Å; Y56-F92 HydrophobicContact CG-CD2 3.76Å; Y56-F92 HydrophobicContact CG-CG 4.27Å; M88-F92 PolarHBondContact O-N 2.59Å; L89-F92 WeakPolarHBondContact O-CA 3.49Å; L89-F92 WeakPolarHBondContact O-CB 3.28Å; L89-F92 PolarHBondContact O-N 2.96Å; L89-F92 VanDerWaalsContact O-N 3.13Å; D90-F92 VanDerWaalsContact C-N 3.29Å; D90-F92 PolarHBondContact O-N 3.36Å; F92-K94 PolarHBondContact O-N 3.31Å; F92-K95 PolarHBondContact O-N 3.01Å; F92-F96 HydrophobicContact CD2-CB 4.06Å; F92-F96 AromaticContact CD2-CD2 3.34Å; F92-F96 HydrophobicContact CD2-CD2 3.34Å; F92-F96 HydrophobicContact CD2-CE2 4.06Å; F92-F96 AromaticContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CD2-CG 3.95Å; 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 4.38Å; F92-F96 AromaticContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CG-CD2 4.25Å; F92-F96 HydrophobicContact CZ-CB 3.95Å; F92-F96 HydrophobicContact CZ-CG 4.46Å; F92-F96 WeakPolarHBondContact O-CB 3.49Å; F92-F96 PolarHBondContact O-N 2.84Å; F92-V97 HydrophobicContact CD1-CG2 4.27Å; F92-V97 HydrophobicContact CE1-CG2 3.86Å; F92-L137 HydrophobicContact CD2-CD2 4.02Å; F92-L137 HydrophobicContact CE2-CD2 3.53Å
93I87.9Confident84.1Confident2 Ų251.7 Ų51.71%0.0126%0.261CS..Iπ-helixtrans-59.5-48.9179.4-70.9171.4000110.4V5 M18 L46 L89 D90 K95 V97 L98V5-I93 HydrophobicContact CG1-CD1 4.17Å; V5-I93 HydrophobicContact CG1-CG2 4.07Å; V5-I93 WeakPolarHBondContact O-CD1 3.34Å; M18-I93 HydrophobicContact CE-CD1 3.89Å; M18-I93 HydrophobicContact SD-CD1 3.88Å; L46-I93 HydrophobicContact CD1-CD1 4.49Å; L46-I93 HydrophobicContact CD1-CG1 4.25Å; L46-I93 HydrophobicContact CD2-CD1 3.85Å; L46-I93 HydrophobicContact CD2-CG1 3.86Å; L89-I93 HydrophobicContact CD2-CD1 3.4Å; L89-I93 HydrophobicContact CD2-CG1 4.02Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.25Å; D90-I93 PolarHBondContact O-N 2.98Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.42Å; I93-V97 HydrophobicContact CB-CB 4.46Å; I93-V97 HydrophobicContact CG1-CG2 4.43Å; I93-V97 HydrophobicContact CG2-CB 4.2Å; I93-V97 WeakPolarHBondContact O-CA 3.39Å; I93-V97 WeakPolarHBondContact O-CB 3.48Å; I93-V97 PolarHBondContact O-N 3Å; I93-L98 HydrophobicContact CG2-CD1 4.22Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.78Å; I93-L98 PolarHBondContact O-N 3.37Å
94K84.7Confident83.8Confident133 Ų13349.6 Ų49.658%0.57825%0.249SC*.Iπ-helixtrans-59.4-37-180-72.8178.1-179.9-178.30113.2D90 F92 L98D90-K94 WeakPolarHBondContact O-CG 3.28Å; D90-K94 PolarHBondContact O-N 2.84Å; F92-K94 PolarHBondContact O-N 3.31Å; K94-L98 HydrophobicContact CG-CD1 4.26Å
95K82.3Confident83.4Confident115 Ų11543.9 Ų43.950%0.523%0.226SC..Iπ-helixtrans-88-35.5-176.5-68.8175.9-176.71700113.9G91 F92 I93 L131G91-K95 WeakPolarHBondContact O-CG 3.27Å; G91-K95 PolarHBondContact O-N 3.13Å; F92-K95 PolarHBondContact O-N 3.01Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.42Å; K95-L131 WeakPolarHBondContact O-CD2 3.34Å
96F79.6Confident83.3Confident9 Ų946.8 Ų46.84%0.03924%0.239CC..Iπ-helixtrans-119.9-16.1-166.8-65.5-79.5000115.3Y56 F92 L131 H135 L137Y56-F96 HydrophobicContact CD2-CE2 4.02Å; Y56-F96 AromaticContact CE2-CE2 3.86Å; Y56-F96 HydrophobicContact CE2-CE2 3.86Å; F92-F96 HydrophobicContact CD2-CB 4.06Å; F92-F96 AromaticContact CD2-CD2 3.34Å; F92-F96 HydrophobicContact CD2-CD2 3.34Å; F92-F96 HydrophobicContact CD2-CE2 4.06Å; F92-F96 AromaticContact CD2-CG 3.95Å; F92-F96 HydrophobicContact CD2-CG 3.95Å; 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 4.38Å; F92-F96 AromaticContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CE2-CG 3.69Å; F92-F96 HydrophobicContact CG-CD2 4.25Å; F92-F96 HydrophobicContact CZ-CB 3.95Å; F92-F96 HydrophobicContact CZ-CG 4.46Å; F92-F96 WeakPolarHBondContact O-CB 3.49Å; F92-F96 PolarHBondContact O-N 2.84Å; F96-L131 HydrophobicContact CD1-CD2 4.13Å; F96-H135 HydrophobicContact CZ-CB 3.78Å; F96-H135 AromaticContact CZ-CG 3.9Å; F96-H135 AromaticContact CZ-ND1 4Å; F96-L137 HydrophobicContact CD2-CD2 4.39Å; F96-L137 HydrophobicContact CE1-CD2 4.35Å; F96-L137 HydrophobicContact CE2-CD2 4.1Å; F96-L137 HydrophobicContact CZ-CB 4.35Å; F96-L137 HydrophobicContact CZ-CD2 4.08Å
97V84.4Confident83.1Confident0 Ų044.7 Ų44.70%023%0.23CC..Iπ-helixtrans-113.1-44.5-174.8-177.40000111.4L46 F92 I93 P105 T107L46-V97 HydrophobicContact CD2-CG1 4.19Å; L46-V97 HydrophobicContact CD2-CG2 4.48Å; F92-V97 HydrophobicContact CD1-CG2 4.27Å; F92-V97 HydrophobicContact CE1-CG2 3.86Å; I93-V97 HydrophobicContact CB-CB 4.46Å; I93-V97 HydrophobicContact CG1-CG2 4.43Å; I93-V97 HydrophobicContact CG2-CB 4.2Å; I93-V97 WeakPolarHBondContact O-CA 3.39Å; I93-V97 WeakPolarHBondContact O-CB 3.48Å; I93-V97 PolarHBondContact O-N 3Å; V97-P105 HydrophobicContact CG1-CB 3.9Å; V97-P105 WeakPolarHBondContact CG1-O 3.38Å; V97-T107 VanDerWaalsContact O-CG2 3.24Å; V97-T107 WeakPolarHBondContact O-CG2 3.41Å; V97-T107 PolarHBondContact O-OG1 3.25Å
98L84.7Confident82.8Confident17 Ų1743.1 Ų43.19%0.08922%0.221CC..SBendtrans-71.6138.8178.4-58.2-176.5000111I93 K94 E103 P105I93-L98 HydrophobicContact CG2-CD1 4.22Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.78Å; I93-L98 PolarHBondContact O-N 3.37Å; K94-L98 HydrophobicContact CG-CD1 4.26Å; L98-E103 WeakPolarHBondContact CD2-O 3.26Å; L98-P105 HydrophobicContact CD2-CB 4.1Å
99C83.1Confident82.6Confident1 Ų142.4 Ų42.41%0.00722%0.218CC..  trans-73.8134.6168.8-176.40000109.7E101 C102 E103 N104 T107 C122 C125C99-E101 PolarHBondContact O-N 2.89Å; C99-C102 VanDerWaalsContact CB-SG 3.54Å; C99-E103 WeakPolarHBondContact O-CA 3.42Å; C99-E103 PolarHBondContact O-N 2.98Å; C99-N104 PolarHBondContact N-O 3.07Å; C99-T107 HydrophobicContact CB-CG2 4Å; C99-C122 HydrophobicContact CB-CB 3.99Å; C99-C125 VanDerWaalsContact SG-SG 3.61Å
100P79.1Confident82.2Confident100 Ų10046.7 Ų46.765%0.64924%0.237SC*.THydrogen-bonded Turntrans-65.4-17.3178.726.8-36.1000114.1Y127P100-Y127 HydrophobicContact CG-CD1 4.36Å; P100-Y127 HydrophobicContact CG-CE1 3.86Å
101E78.4Confident81.7Confident132 Ų13247 Ų4762%0.61724%0.24SC*.THydrogen-bonded Turntrans-101.6-33.2-174.8-168.6170.1-149.200113.3C99 Y127C99-E101 PolarHBondContact O-N 2.89Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.46Å; E101-Y127 VanDerWaalsContact OE2-CD2 3.26Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.47Å
102C77.1Confident81.1Confident34 Ų3450.1 Ų50.123%0.2325%0.251CS..THydrogen-bonded Turntrans-127.43.3-174.468.40000114.8C99 N104 C122 C125C99-C102 VanDerWaalsContact CB-SG 3.54Å; C102-N104 PolarHBondContact O-N 2.69Å; C102-N104 PolarHBondContact O-ND2 3.23Å; C102-C122 PolarHBondContact SG-SG 3.1Å; C102-C125 HydrophobicContact CB-CB 4.02Å; C102-C125 PolarHBondContact SG-SG 3.13Å
103E76.9Confident80.1Confident117 Ų11754.6 Ų54.655%0.54728%0.281SS..  trans51.319.7178.2-59.1-170.6167.900115.3L98 C99L98-E103 WeakPolarHBondContact CD2-O 3.26Å; C99-E103 WeakPolarHBondContact O-CA 3.42Å; C99-E103 PolarHBondContact O-N 2.98Å
104N80.3Confident79.2Confident47 Ų4764.2 Ų64.225%0.25132%0.323SS..  trans-87.9137.7178.3-74.9-47.2000110.8C99 C102 E106 A124C99-N104 PolarHBondContact N-O 3.07Å; C102-N104 PolarHBondContact O-N 2.69Å; C102-N104 PolarHBondContact O-ND2 3.23Å; N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 2.98Å; N104-A124 HydrophobicContact CB-CB 4Å; N104-A124 VanDerWaalsContact ND2-CB 3.26Å; N104-A124 WeakPolarHBondContact ND2-CB 3.48Å
105P79.6Confident78.2Confident9 Ų965.8 Ų65.86%0.05833%0.329CS..SBendtrans-78.5-6.9-179.131-34.8000113.8V5 Y16 V97 L98 T107V5-P105 HydrophobicContact CG1-CB 3.74Å; V5-P105 HydrophobicContact CG1-CG 4.19Å; Y16-P105 HydrophobicContact CD1-CG 4.01Å; Y16-P105 HydrophobicContact CD2-CG 3.63Å; Y16-P105 HydrophobicContact CE2-CG 4.18Å; Y16-P105 HydrophobicContact CG-CG 3.52Å; V97-P105 HydrophobicContact CG1-CB 3.9Å; V97-P105 WeakPolarHBondContact CG1-O 3.38Å; L98-P105 HydrophobicContact CD2-CB 4.1Å; P105-T107 VanDerWaalsContact C-N 3.3Å; P105-T107 PolarHBondContact O-N 3.27Å
106E82.8Confident77.5Confident63 Ų6367 Ų6729%0.29434%0.336SS..  trans-80.673.3176.7-64.8-165162.500112.1Y16 N104 K123Y16-E106 HydrophobicContact CE1-CG 3.68Å; Y16-E106 VanDerWaalsContact CE1-OE1 3.31Å; Y16-E106 WeakPolarHBondContact CE1-OE1 3.39Å; Y16-E106 VanDerWaalsContact OH-CD 3.32Å; Y16-E106 PolarHBondContact OH-OE1 2.91Å; N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 2.98Å; E106-K123 HydrophobicContact CB-CB 4.39Å; E106-K123 PolarHBondContact O-N 3.27Å
107T83.2Confident77.3Confident1 Ų169 Ų691%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-114.2143.4173.656.10000110.7R48 V97 C99 P105 N120 S121 C122R48-T107 PolarHBondContact NH1-O 3.2Å; R48-T107 PolarHBondContact NH2-O 2.79Å; R48-T107 PolarHBondContact NH2-OG1 3.41Å; V97-T107 VanDerWaalsContact O-CG2 3.24Å; V97-T107 WeakPolarHBondContact O-CG2 3.41Å; V97-T107 PolarHBondContact O-OG1 3.25Å; C99-T107 HydrophobicContact CB-CG2 4Å; P105-T107 VanDerWaalsContact C-N 3.3Å; P105-T107 PolarHBondContact O-N 3.27Å; T107-N120 WeakPolarHBondContact CB-OD1 3.4Å; T107-N120 WeakPolarHBondContact CG2-OD1 3.38Å; T107-S121 CarbonylContact C-O 3.6Å; T107-S121 WeakPolarHBondContact CA-O 3.34Å; T107-C122 HydrophobicContact CG2-CB 4.13Å
108D82.4Confident77.1Confident49 Ų4969.5 Ų69.526%0.26235%0.352SS..EExtended strand (participates in β ladder)trans-107.3130.9171-68.8-26.9000109.9S121 K123D108-S121 PolarHBondContact N-O 3.13Å; D108-S121 PolarHBondContact O-N 2.93Å; D108-S121 PolarHBondContact O-OG 2.99Å; D108-K123 VanDerWaalsContact CG-CE 3.49Å; D108-K123 VanDerWaalsContact CG-NZ 3.32Å; D108-K123 IonicContact OD1-NZ 2.67Å; D108-K123 PolarHBondContact OD1-NZ 3.18Å; D108-K123 WeakPolarHBondContact OD2-CE 3.41Å; D108-K123 IonicContact OD2-NZ 3.3Å; D108-K123 PolarHBondContact OD2-NZ 2.88Å
109L81.3Confident77Confident17 Ų1769.5 Ų69.59%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-87.7122175.2-110.877.4000110.4I118 L131 I141L109-I118 HydrophobicContact CD2-CG2 3.76Å; L109-I118 HydrophobicContact CG-CG2 4.01Å; L109-L131 HydrophobicContact CD1-CD1 3.66Å; L109-L131 HydrophobicContact CD2-CD1 4.25Å; L109-L131 HydrophobicContact CG-CD1 4Å; L109-I141 HydrophobicContact CD2-CD1 4.3Å; L109-I141 HydrophobicContact CD2-CG2 4.18Å
110H78Confident77.1Confident94 Ų9469.8 Ų69.844%0.43536%0.358SS..EExtended strand (participates in β ladder)trans-110.5110.8174.3-68.781.7000109.5G119 S121H110-G119 PolarHBondContact N-O 3.16Å; H110-G119 PolarHBondContact O-N 3.21Å; H110-S121 PolarHBondContact CE1-OG 2.88Å; H110-S121 PolarHBondContact ND1-OG 3.41Å; H110-S121 VanDerWaalsContact ND1-OG 3.11Å
111V77.4Confident77.3Confident24 Ų2466 Ų6615%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-90.2121.7177.8-175.70000109P113 I141 L142 P145 P146V111-P113 WeakPolarHBondContact O-CD 3.36Å; V111-I141 HydrophobicContact CG2-CG2 3.72Å; V111-L142 HydrophobicContact CG1-CD2 4.18Å; V111-P145 HydrophobicContact CB-CB 4.37Å; V111-P146 HydrophobicContact CG2-CG 4.44Å
112N72.3Confident77.7Confident86 Ų8660 Ų6046%0.4631%0.306SS..EExtended strand (participates in β ladder)trans-100.494.3173.2-79.2-65.9000109.6K114 K115 Q116 T117N112-K114 PolarHBondContact O-N 3.48Å; N112-K114 VanDerWaalsContact O-N 3.13Å; N112-K115 HydrophobicContact CB-CB 4.43Å; N112-K115 PolarHBondContact O-N 3.19Å; N112-K115 VanDerWaalsContact O-N 3.12Å; N112-Q116 PolarHBondContact O-N 3.18Å; N112-Q116 VanDerWaalsContact O-N 3.15Å; N112-T117 PolarHBondContact N-O 2.91Å
113P67.1Low78Confident96 Ų9664.1 Ų64.162%0.62332%0.321SS*.THydrogen-bonded Turntrans-61.9-26.8-175.423.6-33.7000112.8V111V111-P113 WeakPolarHBondContact O-CD 3.36Å
114K68.7Low78.3Confident205 Ų20561.2 Ų61.289%0.89132%0.316SS*.THydrogen-bonded Turntrans-72-29.4178.6-66.7-175180179.40114.3N112N112-K114 PolarHBondContact O-N 3.48Å; N112-K114 VanDerWaalsContact O-N 3.13Å
115K63.6Low78.2Confident166 Ų16661.6 Ų61.672%0.72232%0.322SS*.THydrogen-bonded Turntrans-103.9-3.8-178.3-69.4-172.1177.2-176.10112.7N112 T117N112-K115 HydrophobicContact CB-CB 4.43Å; N112-K115 PolarHBondContact O-N 3.19Å; N112-K115 VanDerWaalsContact O-N 3.12Å; K115-T117 HydrophobicContact CB-CG2 4.41Å; K115-T117 WeakPolarHBondContact CB-OG1 3.48Å; K115-T117 WeakPolarHBondContact O-CG2 3.5Å; K115-T117 PolarHBondContact O-N 3.02Å; K115-T117 VanDerWaalsContact O-N 3.1Å
116Q68.3Low78.2Confident139 Ų13963.6 Ų63.665%0.6535%0.345SS*.THydrogen-bonded Turntrans50.727.9-171.8-62.3-128.5-57.700113.7N112 L142N112-Q116 PolarHBondContact O-N 3.18Å; N112-Q116 VanDerWaalsContact O-N 3.15Å; Q116-L142 HydrophobicContact CB-CD2 4.43Å
117T75Confident78Confident53 Ų5364.9 Ų64.933%0.32535%0.347SS..EExtended strand (participates in β ladder)trans-114.1140.9-179.953.20000110.4N112 K115N112-T117 PolarHBondContact N-O 2.91Å; K115-T117 HydrophobicContact CB-CG2 4.41Å; K115-T117 WeakPolarHBondContact CB-OG1 3.48Å; K115-T117 WeakPolarHBondContact O-CG2 3.5Å; K115-T117 PolarHBondContact O-N 3.02Å; K115-T117 VanDerWaalsContact O-N 3.1Å
118I80.9Confident77.9Confident9 Ų975.3 Ų75.35%0.04639%0.387CS..EExtended strand (participates in β ladder)trans-99120.8173.8-57.3166.9000107.8L109 L131 C138 I141 L142L109-I118 HydrophobicContact CD2-CG2 3.76Å; L109-I118 HydrophobicContact CG-CG2 4.01Å; I118-L131 HydrophobicContact CB-CB 4.43Å; I118-L131 HydrophobicContact CG2-CB 4.26Å; I118-L131 HydrophobicContact CG2-CD1 4.02Å; I118-L131 PolarHBondContact O-N 2.97Å; I118-C138 HydrophobicContact CD1-CB 3.63Å; I118-I141 HydrophobicContact CD1-CB 3.82Å; I118-I141 HydrophobicContact CD1-CD1 4.28Å; I118-I141 HydrophobicContact CD1-CG2 3.74Å; I118-I141 HydrophobicContact CG1-CG2 4.14Å; I118-I141 HydrophobicContact CG2-CG2 4.46Å; I118-L142 HydrophobicContact CD1-CG 4.42Å; I118-L142 HydrophobicContact CG1-CD2 4.3Å; I118-L142 HydrophobicContact CG1-CG 4.3Å
119G81.9Confident77.5Confident18 Ų1873.5 Ų73.519%0.18638%0.379CS..EExtended strand (participates in β ladder)trans-97.4144.1172.100000111.2H110 G129H110-G119 PolarHBondContact N-O 3.16Å; H110-G119 PolarHBondContact O-N 3.21Å; G119-G129 WeakPolarHBondContact CA-O 3.24Å
120N84.9Confident77.2Confident7 Ų780.6 Ų80.64%0.03741%0.414CS..EExtended strand (participates in β ladder)trans-110.8130.1166.8169.5-2.4000107.9T107 R128 G129 L131T107-N120 WeakPolarHBondContact CB-OD1 3.4Å; T107-N120 WeakPolarHBondContact CG2-OD1 3.38Å; N120-R128 WeakPolarHBondContact O-CA 3.37Å; N120-G129 PolarHBondContact N-O 3.11Å; N120-G129 PolarHBondContact O-N 2.86Å; N120-L131 HydrophobicContact CB-CD1 3.85Å; N120-L131 HydrophobicContact CB-CG 4.07Å
121S84.3Confident76.9Confident19 Ų1977.1 Ų77.113%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-116.5120.5166.755.70000111T107 D108 H110 Y127T107-S121 CarbonylContact C-O 3.6Å; T107-S121 WeakPolarHBondContact CA-O 3.34Å; D108-S121 PolarHBondContact N-O 3.13Å; D108-S121 PolarHBondContact O-N 2.93Å; D108-S121 PolarHBondContact O-OG 2.99Å; H110-S121 PolarHBondContact CE1-OG 2.88Å; H110-S121 PolarHBondContact ND1-OG 3.41Å; H110-S121 VanDerWaalsContact ND1-OG 3.11Å; S121-Y127 WeakPolarHBondContact CA-O 3.46Å
122C86.4Confident76.2Confident6 Ų681.4 Ų81.44%0.04142%0.421CS..EExtended strand (participates in β ladder)trans-84.8136174.7-173.80000111.5C99 C102 T107 A124 G126 Y127C99-C122 HydrophobicContact CB-CB 3.99Å; C102-C122 PolarHBondContact SG-SG 3.1Å; T107-C122 HydrophobicContact CG2-CB 4.13Å; C122-A124 PolarHBondContact SG-N 2.91Å; C122-A124 VanDerWaalsContact SG-N 3.4Å; C122-G126 VanDerWaalsContact O-CA 3.24Å; C122-G126 WeakPolarHBondContact O-CA 3.39Å; C122-G126 PolarHBondContact O-N 3.43Å; C122-G126 VanDerWaalsContact O-N 3.12Å; C122-Y127 PolarHBondContact N-O 3.27Å
123K83.1Confident75.7Confident122 Ų12282.7 Ų82.753%0.5343%0.432SS..THydrogen-bonded Turntrans-77.1-28.8175.1-71.2178.9-179.4149.10113.2E106 D108E106-K123 HydrophobicContact CB-CB 4.39Å; E106-K123 PolarHBondContact O-N 3.27Å; D108-K123 VanDerWaalsContact CG-CE 3.49Å; D108-K123 VanDerWaalsContact CG-NZ 3.32Å; D108-K123 IonicContact OD1-NZ 2.67Å; D108-K123 PolarHBondContact OD1-NZ 3.18Å; D108-K123 WeakPolarHBondContact OD2-CE 3.41Å; D108-K123 IonicContact OD2-NZ 3.3Å; D108-K123 PolarHBondContact OD2-NZ 2.88Å
124A82.4Confident75.5Confident55 Ų5586.2 Ų86.246%0.45544%0.44SS..THydrogen-bonded Turntrans-77.7-48.4-175.700000112.9N104 C122N104-A124 HydrophobicContact CB-CB 4Å; N104-A124 VanDerWaalsContact ND2-CB 3.26Å; N104-A124 WeakPolarHBondContact ND2-CB 3.48Å; C122-A124 PolarHBondContact SG-N 2.91Å; C122-A124 VanDerWaalsContact SG-N 3.4Å
125C79.7Confident75.5Confident55 Ų5578.2 Ų78.237%0.37241%0.405SS..THydrogen-bonded Turntrans-104.8-9-178.865.10000114.3C99 C102 Y127C99-C125 VanDerWaalsContact SG-SG 3.61Å; C102-C125 HydrophobicContact CB-CB 4.02Å; C102-C125 PolarHBondContact SG-SG 3.13Å; C125-Y127 PolarHBondContact O-N 3.32Å; C125-Y127 WeakPolarHBondContact SG-CB 3.44Å
126G79.3Confident75.8Confident52 Ų5277.9 Ų77.954%0.53640%0.404SS..  trans73.43.7-176.300000114.7C122 R128C122-G126 VanDerWaalsContact O-CA 3.24Å; C122-G126 WeakPolarHBondContact O-CA 3.39Å; C122-G126 PolarHBondContact O-N 3.43Å; C122-G126 VanDerWaalsContact O-N 3.12Å; G126-R128 PolarHBondContact O-N 2.93Å
127Y78.9Confident76.1Confident89 Ų8971.3 Ų71.335%0.34937%0.373SS..  trans-57.3129.2178.2-179.1-103.5000111.2P100 E101 S121 C122 C125P100-Y127 HydrophobicContact CG-CD1 4.36Å; P100-Y127 HydrophobicContact CG-CE1 3.86Å; E101-Y127 WeakPolarHBondContact OE2-CB 3.46Å; E101-Y127 VanDerWaalsContact OE2-CD2 3.26Å; E101-Y127 WeakPolarHBondContact OE2-CD2 3.47Å; S121-Y127 WeakPolarHBondContact CA-O 3.46Å; C122-Y127 PolarHBondContact N-O 3.27Å; C125-Y127 PolarHBondContact O-N 3.32Å; C125-Y127 WeakPolarHBondContact SG-CB 3.44Å
128R79.6Confident75.7Confident221 Ų22169.1 Ų69.183%0.83436%0.36SS*.EExtended strand (participates in β ladder)trans-115.5101.7171.3-72.2-176.6179.6145.20.9108.5N120 G126N120-R128 WeakPolarHBondContact O-CA 3.37Å; G126-R128 PolarHBondContact O-N 2.93Å
129G73.8Confident75.3Confident10 Ų1072.5 Ų72.510%0.10338%0.381CS..EExtended strand (participates in β ladder)trans-116.7157.8179.800000112.2G119 N120G119-G129 WeakPolarHBondContact CA-O 3.24Å; N120-G129 PolarHBondContact N-O 3.11Å; N120-G129 PolarHBondContact O-N 2.86Å
130M76.1Confident74.9Confident166 Ų16673.4 Ų73.482%0.81838%0.38SS*.EExtended strand (participates in β ladder)trans-79.6133.1163.443179.169.600108.8
131L70.5Confident74.4Confident22 Ų2273.2 Ų73.212%0.11538%0.379CS..PPolyproline II helixtrans-76.7148.7171.8-101.7156.8000110K95 F96 L109 I118 N120 T133K95-L131 WeakPolarHBondContact O-CD2 3.34Å; F96-L131 HydrophobicContact CD1-CD2 4.13Å; L109-L131 HydrophobicContact CD1-CD1 3.66Å; L109-L131 HydrophobicContact CD2-CD1 4.25Å; L109-L131 HydrophobicContact CG-CD1 4Å; I118-L131 HydrophobicContact CB-CB 4.43Å; I118-L131 HydrophobicContact CG2-CB 4.26Å; I118-L131 HydrophobicContact CG2-CD1 4.02Å; I118-L131 PolarHBondContact O-N 2.97Å; N120-L131 HydrophobicContact CB-CD1 3.85Å; N120-L131 HydrophobicContact CB-CG 4.07Å; L131-T133 PolarHBondContact O-N 3.3Å
132D63.4Low73.8Confident114 Ų11474.2 Ų74.261%0.6138%0.383SS*.PPolyproline II helixtrans-57.7122.4-179.4-175.85.1000111.2H134 C138D132-H134 PolarHBondContact O-N 3Å; D132-H134 WeakPolarHBondContact OD1-CB 3.37Å; D132-H134 PolarHBondContact OD1-N 2.9Å; D132-C138 PolarHBondContact O-SG 3.27Å
133T62.2Low72.9Confident113 Ų11381.4 Ų81.469%0.69341%0.413SS*.THydrogen-bonded Turntrans-75.9-7.2-17846.10000113.6L131 H135L131-T133 PolarHBondContact O-N 3.3Å; T133-H135 VanDerWaalsContact C-N 3.34Å; T133-H135 PolarHBondContact O-N 3.37Å
134H63.4Low72Confident170 Ų17079.3 Ų79.379%0.78741%0.408SS*.THydrogen-bonded Turntrans-79.2-8.8-169.1-158.8-99.5000114.9D132D132-H134 PolarHBondContact O-N 3Å; D132-H134 WeakPolarHBondContact OD1-CB 3.37Å; D132-H134 PolarHBondContact OD1-N 2.9Å
135H68.5Low71.1Confident37 Ų3780.5 Ų80.517%0.17141%0.411CS..SBendtrans-94.3136.8-177.2-154.6-95.2000113.5Y56 E60 F96 T133 L137 C138Y56-H135 AromaticContact CD2-CE1 3.41Å; Y56-H135 VanDerWaalsContact CD2-CE1 3.41Å; Y56-H135 WeakPolarHBondContact CD2-CE1 3.19Å; Y56-H135 AromaticContact CD2-ND1 3.97Å; Y56-H135 AromaticContact CE2-CE1 3.27Å; Y56-H135 WeakPolarHBondContact CE2-CE1 3.21Å; Y56-H135 AromaticContact CE2-ND1 3.97Å; Y56-H135 AromaticContact CE2-NE2 3.47Å; Y56-H135 WeakPolarHBondContact CE2-NE2 3.44Å; E60-H135 IonicContact OE1-NE2 3.33Å; E60-H135 PolarHBondContact OE1-NE2 3.31Å; F96-H135 HydrophobicContact CZ-CB 3.78Å; F96-H135 AromaticContact CZ-CG 3.9Å; F96-H135 AromaticContact CZ-ND1 4Å; T133-H135 VanDerWaalsContact C-N 3.34Å; T133-H135 PolarHBondContact O-N 3.37Å; H135-L137 VanDerWaalsContact ND1-CB 3.28Å; H135-L137 WeakPolarHBondContact ND1-CB 3.48Å; H135-L137 PolarHBondContact ND1-N 3.33Å; H135-L137 PolarHBondContact O-N 3.45Å; H135-C138 VanDerWaalsContact O-CB 3.3Å; H135-C138 WeakPolarHBondContact O-CB 3.41Å; H135-C138 PolarHBondContact O-N 3.25Å
136K68.9Low69.8Low159 Ų15979.5 Ų79.569%0.69140%0.404SS*.Hα-helixtrans-57.3-20.3177.5-67.6176-176.11700113.6C59C59-K136 HydrophobicContact CB-CB 4.47Å
137L74.2Confident68.4Low0 Ų086.3 Ų86.30%042%0.422CS..Hα-helixtrans-68.8-33.1173.8-173.167.6000112.5K55 Y56 F92 F96 H135 T139 F140 I141K55-L137 HydrophobicContact CB-CD1 3.68Å; K55-L137 HydrophobicContact CG-CD1 3.73Å; Y56-L137 HydrophobicContact CD2-CD2 4.03Å; F92-L137 HydrophobicContact CD2-CD2 4.02Å; F92-L137 HydrophobicContact CE2-CD2 3.53Å; F96-L137 HydrophobicContact CD2-CD2 4.39Å; F96-L137 HydrophobicContact CE1-CD2 4.35Å; F96-L137 HydrophobicContact CE2-CD2 4.1Å; F96-L137 HydrophobicContact CZ-CB 4.35Å; F96-L137 HydrophobicContact CZ-CD2 4.08Å; H135-L137 VanDerWaalsContact ND1-CB 3.28Å; H135-L137 WeakPolarHBondContact ND1-CB 3.48Å; H135-L137 PolarHBondContact ND1-N 3.33Å; H135-L137 PolarHBondContact O-N 3.45Å; L137-T139 VanDerWaalsContact C-N 3.26Å; L137-T139 PolarHBondContact O-N 3.27Å; L137-F140 HydrophobicContact CD1-CB 4.47Å; L137-F140 HydrophobicContact CD1-CD1 4.41Å; L137-F140 WeakPolarHBondContact O-CA 3.34Å; L137-F140 WeakPolarHBondContact O-CB 3.34Å; L137-F140 PolarHBondContact O-N 2.94Å; L137-I141 HydrophobicContact CD2-CD1 4.16Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 HydrophobicContact CG-CG1 4.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.24Å; L137-I141 PolarHBondContact O-N 3.44Å
138C67.9Low66.6Low7 Ų788.2 Ų88.25%0.04744%0.438CS..Hα-helixtrans-60.7-38.1179.9-63.50000111.4I118 D132 H135 F140 I141 L142I118-C138 HydrophobicContact CD1-CB 3.63Å; D132-C138 PolarHBondContact O-SG 3.27Å; H135-C138 VanDerWaalsContact O-CB 3.3Å; H135-C138 WeakPolarHBondContact O-CB 3.41Å; H135-C138 PolarHBondContact O-N 3.25Å; C138-F140 PolarHBondContact O-N 2.91Å; C138-I141 PolarHBondContact O-N 3.01Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 VanDerWaalsContact O-CG 3.3Å; C138-L142 WeakPolarHBondContact O-CG 3.45Å; C138-L142 PolarHBondContact O-N 3.3Å
139T71.1Confident64.6Low80 Ų8083.7 Ų83.749%0.49144%0.44SS..Hα-helixtrans-61.9-32.5172.6-48.70000112.7L137 K143L137-T139 VanDerWaalsContact C-N 3.26Å; L137-T139 PolarHBondContact O-N 3.27Å; T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.31Å
140F73.9Confident62.7Low38 Ų3889.9 Ų89.917%0.16747%0.471CS..Hα-helixtrans-77.6-39.6177-175-99.5000112Y52 K55 L137 C138 L142 K143 N144Y52-F140 HydrophobicContact CD1-CD1 4.31Å; Y52-F140 HydrophobicContact CD1-CE1 4.28Å; K55-F140 HydrophobicContact CB-CD1 4.04Å; K55-F140 HydrophobicContact CB-CE1 4.08Å; K55-F140 HydrophobicContact CB-CG 4.49Å; K55-F140 HydrophobicContact CD-CD2 4.21Å; K55-F140 HydrophobicContact CD-CE2 4.34Å; K55-F140 HydrophobicContact CD-CG 4.37Å; K55-F140 HydrophobicContact CG-CB 4.14Å; K55-F140 HydrophobicContact CG-CD1 3.79Å; K55-F140 HydrophobicContact CG-CD2 4.09Å; K55-F140 HydrophobicContact CG-CE1 4.16Å; K55-F140 HydrophobicContact CG-CE2 4.44Å; K55-F140 HydrophobicContact CG-CG 3.74Å; K55-F140 HydrophobicContact CG-CZ 4.47Å; L137-F140 HydrophobicContact CD1-CB 4.47Å; L137-F140 HydrophobicContact CD1-CD1 4.41Å; L137-F140 WeakPolarHBondContact O-CA 3.34Å; L137-F140 WeakPolarHBondContact O-CB 3.34Å; L137-F140 PolarHBondContact O-N 2.94Å; C138-F140 PolarHBondContact O-N 2.91Å; F140-L142 VanDerWaalsContact C-N 3.28Å; F140-L142 PolarHBondContact O-N 2.99Å; F140-K143 PolarHBondContact O-N 2.94Å; F140-K143 VanDerWaalsContact O-N 3.09Å; F140-N144 VanDerWaalsContact CE2-ND2 3.34Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.31Å; F140-N144 VanDerWaalsContact CZ-ND2 3.33Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.44Å; F140-N144 PolarHBondContact O-N 3.23Å
141I75.8Confident60.6Low2 Ų286.9 Ų86.91%0.0147%0.466CS..Hα-helixtrans-62.5-37.4174.6-64.6166.7000110.8Y52 L109 V111 I118 L137 C138 K143 N144Y52-I141 HydrophobicContact CD1-CG1 4.23Å; Y52-I141 HydrophobicContact CD2-CD1 4.39Å; Y52-I141 HydrophobicContact CD2-CG1 4.11Å; Y52-I141 HydrophobicContact CE1-CG1 4.04Å; Y52-I141 HydrophobicContact CE2-CD1 4.45Å; Y52-I141 HydrophobicContact CE2-CG1 3.92Å; Y52-I141 HydrophobicContact CE2-CG2 4.21Å; Y52-I141 HydrophobicContact CG-CG1 4.26Å; L109-I141 HydrophobicContact CD2-CD1 4.3Å; L109-I141 HydrophobicContact CD2-CG2 4.18Å; V111-I141 HydrophobicContact CG2-CG2 3.72Å; I118-I141 HydrophobicContact CD1-CB 3.82Å; I118-I141 HydrophobicContact CD1-CD1 4.28Å; I118-I141 HydrophobicContact CD1-CG2 3.74Å; I118-I141 HydrophobicContact CG1-CG2 4.14Å; I118-I141 HydrophobicContact CG2-CG2 4.46Å; L137-I141 HydrophobicContact CD2-CD1 4.16Å; L137-I141 HydrophobicContact CG-CD1 3.91Å; L137-I141 HydrophobicContact CG-CG1 4.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.24Å; L137-I141 PolarHBondContact O-N 3.44Å; C138-I141 PolarHBondContact O-N 3.01Å; I141-K143 VanDerWaalsContact C-N 3.28Å; I141-K143 PolarHBondContact O-N 3.39Å; I141-N144 CarbonylContact O-C 3.26Å; I141-N144 VanDerWaalsContact O-C 3.26Å; I141-N144 PolarHBondContact O-N 3.24Å
142L70.1Confident58.8Low41 Ų4189.2 Ų89.222%0.21550%0.496CS..Hα-helixtrans-65-29.8173.9-75.3166.6000113.4V111 Q116 I118 C138 F140V111-L142 HydrophobicContact CG1-CD2 4.18Å; Q116-L142 HydrophobicContact CB-CD2 4.43Å; I118-L142 HydrophobicContact CD1-CG 4.42Å; I118-L142 HydrophobicContact CG1-CD2 4.3Å; I118-L142 HydrophobicContact CG1-CG 4.3Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 VanDerWaalsContact O-CG 3.3Å; C138-L142 WeakPolarHBondContact O-CG 3.45Å; C138-L142 PolarHBondContact O-N 3.3Å; F140-L142 VanDerWaalsContact C-N 3.28Å; F140-L142 PolarHBondContact O-N 2.99Å
143K67.6Low57.2Low157 Ų15789.6 Ų89.668%0.68350%0.502SS*.Hα-helixtrans-87-25.6179.8-72.7178-179.2-175.50113.1T139 F140 I141T139-K143 WeakPolarHBondContact O-CG 3.43Å; T139-K143 PolarHBondContact O-N 3.31Å; F140-K143 PolarHBondContact O-N 2.94Å; F140-K143 VanDerWaalsContact O-N 3.09Å; I141-K143 VanDerWaalsContact C-N 3.28Å; I141-K143 PolarHBondContact O-N 3.39Å
144N65.1Low55.8Low78 Ų7888.3 Ų88.342%0.41751%0.512SS..SBendtrans-12780.7176.9-66.4-66.9000108.8Y52 F140 I141Y52-N144 PolarHBondContact OH-O 3.47Å; F140-N144 VanDerWaalsContact CE2-ND2 3.34Å; F140-N144 WeakPolarHBondContact CE2-ND2 3.31Å; F140-N144 VanDerWaalsContact CZ-ND2 3.33Å; F140-N144 WeakPolarHBondContact CZ-ND2 3.44Å; F140-N144 PolarHBondContact O-N 3.23Å; I141-N144 CarbonylContact O-C 3.26Å; I141-N144 VanDerWaalsContact O-C 3.26Å; I141-N144 PolarHBondContact O-N 3.24Å
145P62.6Low54.2Low79 Ų7990 Ų9051%0.51352%0.517SS..  trans-57.3142.4173.625-32.5000109.2V111 E147V111-P145 HydrophobicContact CB-CB 4.37Å; P145-E147 PolarHBondContact O-N 2.84Å
146P54.1Low52.2Low35 Ų3598.2 Ų98.223%0.22755%0.552CS.*  trans-58.1132.2175.726.1-31.4000107.8Y52 V111 N148Y52-P146 WeakPolarHBondContact OH-CD 3.36Å; V111-P146 HydrophobicContact CG2-CG 4.44Å; P146-N148 PolarHBondContact O-N 3.05Å
147E49.8Very low50.3Low195 Ų195100.1 Ų100.191%0.91156%0.563SS**  trans-60.2101.2175.7-72.6-174.815400108.1P145 S149P145-E147 PolarHBondContact O-N 2.84Å; E147-S149 PolarHBondContact O-N 3.17Å
148N40.8Very low48.1Very low128 Ų128109.6 Ų109.668%0.68460%0.604SS**  trans-63.5106.1162.9-85.8-3.6000106.7P146 D150P146-N148 PolarHBondContact O-N 3.05Å; N148-D150 PolarHBondContact O-N 3.02Å
149S36.4Very low46.1Very low126 Ų126118.6 Ų118.688%0.88165%0.646SS**SBendtrans-70.854.5161.5630000110.6E147E147-S149 PolarHBondContact O-N 3.17Å
150D35.3Very low44.1Very low140 Ų140124.2 Ų124.275%0.74966%0.664SS**  trans-151.178163.2-158.716.1000110.9N148N148-D150 PolarHBondContact O-N 3.02Å
151S30.7Very low41.9Very low103 Ų103132.4 Ų132.472%0.7270%0.699SS**  trans-129.759.4149.149.80000108.1T153S151-T153 PolarHBondContact O-N 3.5Å
152G33.6Very low39.5Very low72 Ų72140 Ų14074%0.74274%0.739SS**  trans-68.763.7161.400000111.2
153T29.3Very low37.5Very low121 Ų121150.3 Ų150.374%0.74278%0.776SS**  trans-115.199.7158.838.10000107.5S151 K155S151-T153 PolarHBondContact O-N 3.5Å; T153-K155 PolarHBondContact O-N 3.46Å
154G33.7Very low35.5Very low87 Ų87152.6 Ų152.690%0.89779%0.786SS**  trans-52.7112.9178.900000111.3
155K28.7Very low33.7Very low204 Ų204152.2 Ų152.289%0.88780%0.8SS**  trans-116.288.8164.2-131176.6-175.3178.80108.2T153 E157T153-K155 PolarHBondContact O-N 3.46Å; K155-E157 PolarHBondContact O-N 3.37Å
156K27.1Very low31.9Very low211 Ų211157.6 Ų157.692%0.91782%0.815SS**  trans-55121.9159-80176.8172.6173.90108.4
157E28.9Very low30.5Very low198 Ų198162.5 Ų162.593%0.92584%0.84SS**  trans-103.1122.1155.8-106.6-175.8151.600111K155K155-E157 PolarHBondContact O-N 3.37Å
158K27.6Very low29.4Very low199 Ų199161.8 Ų161.887%0.86583%0.833SS**  trans-34128.3179.2-74.6161.5170.61670116.5
159E26.7Very low28.7Very low196 Ų196164.7 Ų164.792%0.91684%0.843SS**  trans-119.6127.8138.7-129.8-174.314800110
160K29Very low28Very low199 Ų199166.3 Ų166.387%0.86584%0.842SS**  trans-77.3129-175.4-75.4173.2174.3172.20110.8
161K27.6Very low27.4Very low210 Ų210162.9 Ų162.991%0.91384%0.839SS**  trans-157.6112.1142.3-126.9171.7-178.91730113.7
162N25.1Very low27.1Very low160 Ų160162.9 Ų162.986%0.85684%0.839SS**  trans1.9125.3154.1-92.2-14.9000118.6
163R28.4Very low26.6Very low259 Ų259165.6 Ų165.698%0.97784%0.841SS**  trans-158.5154.6131.4-112.4168.9176.3172.4-2.2112
164K26.2Very low26.3Very low205 Ų205164.9 Ų164.989%0.89184%0.841SS**  trans-123143.2-148.6172.3-173.7179.8-1770108.2
165G26.2Very low25.9Very low70 Ų70165.6 Ų165.672%0.72283%0.832SS**  trans79.1117168.400000113.3
166K24.3Very low25.7Very low192 Ų192161.3 Ų161.384%0.83583%0.828SS**  64.99850.2-158.9-176.8-174179.30113.1
167D25.7Very low25.7Very low138 Ų138160.3 Ų160.374%0.73883%0.827SS**  trans-163.9119.4131.7-89.5-43.1000107
168K26.5Very low25.8Very low179 Ų179157.5 Ų157.578%0.77882%0.823SS**  56.5123.898.9-75.8-176.9172.9-178.30111.2
169E25.2Very low26.4Very low189 Ų189153.7 Ų153.788%0.88382%0.819SS**  -162.9160.954.1-158.4163.1131.500111.8
170N21.5Very low27Very low161 Ų161150 Ų15086%0.86181%0.812SS**  trans-109.6148.1-171.5-165.425000108.1
171G23.8Very low27.6Very low67 Ų67146.2 Ų146.269%0.69181%0.807SS**  trans155.988.3168.700000112.2
172S23.5Very low28.7Very low103 Ų103142 Ų14272%0.7280%0.801SS**  87.1107.573.1-178.10000113.1
173V23.4Very low29.6Very low130 Ų130140.1 Ų140.179%0.78880%0.798SS**  trans55.5122.3139-48.40000120
174S23Very low30.3Very low105 Ų105133.4 Ų133.473%0.73479%0.788SS**  158.9154.286.1-168.50000111.8
175S26Very low30.9Very low102 Ų102129.6 Ų129.671%0.71378%0.784SS**  trans94.794.6148.7-49.70000117.8
176S23.7Very low31.3Very low115 Ų115133.9 Ų133.980%0.80479%0.791SS**  trans-33.1128.2143.2490000115
177E27.9Very low31.6Very low190 Ų190133.4 Ų133.489%0.88879%0.791SS**  trans-142.1118143.3-72.4-156.2130.100110
178T30.2Very low31.9Very low139 Ų139134.5 Ų134.585%0.85380%0.796SS**PPolyproline II helixtrans-61.9142.3168.2270000112.7
179P40Very low32.2Very low118 Ų118131 Ų13177%0.76679%0.793SS**PPolyproline II helixtrans-93.7155.9152.8-726000112.4
180P40.1Very low33.1Very low120 Ų120127.7 Ų127.778%0.77979%0.789SS**PPolyproline II helixtrans-86166.2-159.735.2-36.3000115.2
181P41.9Very low33.6Very low118 Ų118125.8 Ų125.877%0.76679%0.785SS**PPolyproline II helixtrans-88.7154.2-174.335.5-34000113.6
182P51Low34Very low121 Ų121128.5 Ų128.579%0.78679%0.791SS**PPolyproline II helixtrans-81.3156164.130.5-29.6000112.9
183P43.2Very low34.5Very low122 Ų122132 Ų13279%0.79280%0.795SS**PPolyproline II helixtrans-80.6166.4-161.132.1-35.9000115.9
184P42.7Very low34.7Very low117 Ų117132.2 Ų132.276%0.7680%0.797SS**PPolyproline II helixtrans-79.2164.4-168.232-36.3000115.2
185P38.3Very low35.4Very low125 Ų125132.9 Ų132.981%0.81280%0.797SS**PPolyproline II helixtrans-74.9136.3179.931.1-32.8000111.3E187P185-E187 PolarHBondContact O-N 2.88Å
186N34.3Very low35.6Very low161 Ų161137.3 Ų137.386%0.86181%0.806SS**PPolyproline II helixtrans-78.2118.2178.3-1309.7000109.8
187E31.6Very low36Very low181 Ų181140.8 Ų140.885%0.84681%0.809SS**PPolyproline II helixtrans-69.1133167-69.6-176.715300110.6P185P185-E187 PolarHBondContact O-N 2.88Å
188I32.4Very low36.2Very low161 Ų161140.7 Ų140.783%0.82681%0.809SS**  trans-134.4109156-58.5175.8000107.3
189S33.4Very low36.5Very low105 Ų105143.5 Ų143.573%0.73481%0.812SS**  trans-82.7162.6165.8-76.30000110.9
190P42.5Very low36.3Very low121 Ų121145.7 Ų145.779%0.78682%0.817SS**  trans-98.2158.5-149.137.3-33.4000114.3
191P31.8Very low36.4Very low120 Ų120146.7 Ų146.778%0.77982%0.817SS**  trans-112.2160155.116.74000112.7
192P33Very low36.2Very low125 Ų125148 Ų14881%0.81282%0.817SS**  trans-87.5159.3-156.835-35.2000115.3
193H33.8Very low36.2Very low176 Ų176153.7 Ų153.782%0.81582%0.823SS**  trans-31.7141.8170.1-73.3-87.6000118
194T27.7Very low36.3Very low134 Ų134150 Ų15082%0.82281%0.807SS**  -156.4111.7119.340.20000111.2
195V37.2Very low36.5Very low120 Ų120151.8 Ų151.873%0.72781%0.806SS**  trans8.8115.3152.3-76.20000121.2
196E30.3Very low36.5Very low194 Ų194152.2 Ų152.291%0.90780%0.801SS**  trans-136.3124.3136-68.4-171.616600106.9
197E31.8Very low37.2Very low189 Ų189149.5 Ų149.588%0.88379%0.79SS**  trans-82.4112.8-174-66.3172.1165.200109.7
198E33.8Very low38.9Very low188 Ų188145 Ų14588%0.87978%0.775SS**PPolyproline II helixtrans-97124.4162.5-69.3-171.2161.700107.8D200E198-D200 PolarHBondContact O-N 3.12Å
199E35.4Very low40.1Very low198 Ų198144.6 Ų144.693%0.92577%0.77SS**PPolyproline II helixtrans-57.4116.7-179-76.3172.5141.900111.1D201E199-D201 PolarHBondContact O-N 3.45Å
200D36.4Very low41.5Very low163 Ų163145.5 Ų145.587%0.87276%0.763SS**PPolyproline II helixtrans-60.7121.9167-93.6-36.1000109.7E198 D202E198-D200 PolarHBondContact O-N 3.12Å; D200-D202 PolarHBondContact O-N 3.32Å
201D41.3Very low42.2Very low142 Ų142141.6 Ų141.676%0.75974%0.741SS**  trans-64.892.4173.4-159.512.8000109.5E199 W203E199-D201 PolarHBondContact O-N 3.45Å; D201-W203 PolarHBondContact O-N 3.46Å; D201-W203 VanDerWaalsContact O-N 3.11Å
202D38.9Very low43.6Very low146 Ų146139.5 Ų139.578%0.78172%0.72SS**  trans-63.9100.1176.5-174.945.9000110.4D200 G204D200-D202 PolarHBondContact O-N 3.32Å; D202-G204 PolarHBondContact O-N 3.19Å
203W51Low45Very low240 Ų240141.7 Ų141.791%0.90971%0.712SS**  trans-71.146.6168.7-92.580.3000112.3D201D201-W203 PolarHBondContact O-N 3.46Å; D201-W203 VanDerWaalsContact O-N 3.11Å
204G45.1Very low46.5Very low45 Ų45140.7 Ų140.746%0.46470%0.701SS.*  trans-84.3109173.300000110.8D202 D206D202-G204 PolarHBondContact O-N 3.19Å; G204-D206 PolarHBondContact O-N 3.44Å
205E47.5Very low48.3Very low154 Ų154140.4 Ų140.472%0.7269%0.685SS**  trans-57.2120167.9-71.2-176.3149.900110T207E205-T207 WeakPolarHBondContact O-CG2 3.29Å; E205-T207 PolarHBondContact O-N 3.2Å
206D36.3Very low49.2Very low134 Ų134140.5 Ų140.572%0.71768%0.679SS**  trans-52.4101.3175.7-87.1-47.7000112G204 T208G204-D206 PolarHBondContact O-N 3.44Å; D206-T208 PolarHBondContact O-N 3.38Å
207T50.6Low50.8Low104 Ų104135.9 Ų135.964%0.63866%0.661SS**  trans-82.946.2176.556.80000112.1E205 E209E205-T207 WeakPolarHBondContact O-CG2 3.29Å; E205-T207 PolarHBondContact O-N 3.2Å; T207-E209 PolarHBondContact O-N 3.09Å
208T67.7Low52.2Low86 Ų86133.5 Ų133.553%0.52865%0.65SS.*  trans-73.6130.3173.1-360000108.4D206 E210 A211 Q212D206-T208 PolarHBondContact O-N 3.38Å; T208-E210 PolarHBondContact O-N 2.7Å; T208-A211 PolarHBondContact O-N 2.97Å; T208-Q212 PolarHBondContact O-N 2.93Å; T208-Q212 VanDerWaalsContact O-N 3.17Å
209E57.6Low53.6Low152 Ų152130 Ų13071%0.7164%0.636SS**Hα-helixtrans-53.8-27.8-174-67.4-174.7154.400113.4T207 R213T207-E209 PolarHBondContact O-N 3.09Å; E209-R213 WeakPolarHBondContact O-CB 3.47Å; E209-R213 PolarHBondContact O-N 3.29Å; E209-R213 VanDerWaalsContact O-N 3.07Å
210E61.6Low54.9Low125 Ų125122.4 Ų122.458%0.58461%0.605SS**Hα-helixtrans-73.7-35.8177.2-160.6-179.4155.800113.1T208 R214T208-E210 PolarHBondContact O-N 2.7Å; E210-R214 WeakPolarHBondContact O-CG 3.11Å; E210-R214 PolarHBondContact O-N 3.42Å; E210-R214 VanDerWaalsContact O-N 3.12Å; E210-R214 IonicContact OE1-CZ 3.17Å; E210-R214 IonicContact OE1-NE 2.84Å; E210-R214 IonicContact OE1-NH2 3.92Å; E210-R214 PolarHBondContact OE1-NH2 3.17Å
211A57.2Low55.7Low39 Ų39119 Ų11932%0.32259%0.587SS.*Hα-helixtrans-75.2-35.517700000111.7T208 R214 R215T208-A211 PolarHBondContact O-N 2.97Å; A211-R214 PolarHBondContact O-N 3.27Å; A211-R215 PolarHBondContact O-N 3.41Å
212Q61Low56.4Low76 Ų76118.2 Ų118.236%0.35558%0.578SS.*Hα-helixtrans-67.2-36.5172.3-71-178-13.400112T208 R215 M216T208-Q212 PolarHBondContact O-N 2.93Å; T208-Q212 VanDerWaalsContact O-N 3.17Å; Q212-R215 PolarHBondContact O-N 3.47Å; Q212-M216 HydrophobicContact CB-CE 4.25Å; Q212-M216 WeakPolarHBondContact O-CB 3.42Å; Q212-M216 WeakPolarHBondContact O-CG 3.32Å; Q212-M216 PolarHBondContact O-N 3.48Å
213R62.6Low56.9Low170 Ų170113.3 Ų113.364%0.64256%0.558SS**Hα-helixtrans-70.2-36.8177.3-154.4179-75.8-146.40.9112E209 M216 D217E209-R213 WeakPolarHBondContact O-CB 3.47Å; E209-R213 PolarHBondContact O-N 3.29Å; E209-R213 VanDerWaalsContact O-N 3.07Å; R213-M216 PolarHBondContact O-N 3.36Å; R213-D217 WeakPolarHBondContact O-CB 3.45Å; R213-D217 PolarHBondContact O-N 3.45Å
214R66.4Low57Low156 Ų156108.4 Ų108.459%0.58954%0.543SS*.Hα-helixtrans-66.6-41.3171.9-70.5-179.4-167.8-177.47112.5E210 A211 D217 E218E210-R214 WeakPolarHBondContact O-CG 3.11Å; E210-R214 PolarHBondContact O-N 3.42Å; E210-R214 VanDerWaalsContact O-N 3.12Å; E210-R214 IonicContact OE1-CZ 3.17Å; E210-R214 IonicContact OE1-NE 2.84Å; E210-R214 IonicContact OE1-NH2 3.92Å; E210-R214 PolarHBondContact OE1-NH2 3.17Å; A211-R214 PolarHBondContact O-N 3.27Å; R214-D217 PolarHBondContact O-N 2.99Å; R214-E218 WeakPolarHBondContact O-CB 3.26Å; R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 2.91Å
215R64.9Low57.3Low128 Ų128111.8 Ų111.848%0.48355%0.554SS.*Hα-helixtrans-64.3-39.1172-75.5-179.2-178.7146.6-0.3111.9A211 Q212 I219A211-R215 PolarHBondContact O-N 3.41Å; Q212-R215 PolarHBondContact O-N 3.47Å; R215-I219 WeakPolarHBondContact O-CB 3.33Å; R215-I219 VanDerWaalsContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CD1 3.33Å; R215-I219 WeakPolarHBondContact O-CG1 3.44Å; R215-I219 PolarHBondContact O-N 3.07Å
216M56.4Low57.3Low121 Ų121110.3 Ų110.360%0.59655%0.551SS**Hα-helixtrans-68.1-38.3174.9-84.2-171.9-107.400112.5Q212 R213 S220Q212-M216 HydrophobicContact CB-CE 4.25Å; Q212-M216 WeakPolarHBondContact O-CB 3.42Å; Q212-M216 WeakPolarHBondContact O-CG 3.32Å; Q212-M216 PolarHBondContact O-N 3.48Å; R213-M216 PolarHBondContact O-N 3.36Å; M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 2.91Å; M216-S220 PolarHBondContact O-OG 3.37Å
217D63.8Low57.8Low97 Ų97108.4 Ų108.452%0.51954%0.544SS..Hα-helixtrans-67.6-43.5175.1-84.7-10.1000111.1R213 R214 S220 D221R213-D217 WeakPolarHBondContact O-CB 3.45Å; R213-D217 PolarHBondContact O-N 3.45Å; R214-D217 PolarHBondContact O-N 2.99Å; D217-S220 PolarHBondContact O-N 2.9Å; D217-S220 VanDerWaalsContact O-N 3.16Å; D217-S220 PolarHBondContact O-OG 3.42Å; D217-D221 PolarHBondContact O-N 3.11Å
218E60.6Low57.6Low140 Ų140110.7 Ų110.765%0.65455%0.552SS**Hα-helixtrans-63.6-42.4174.4-75.8176.6175.200112.3R214 S220 H222R214-E218 WeakPolarHBondContact O-CB 3.26Å; R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 2.91Å; E218-S220 VanDerWaalsContact C-N 3.31Å; E218-H222 VanDerWaalsContact O-CB 3.26Å; E218-H222 WeakPolarHBondContact O-CB 3.38Å; E218-H222 PolarHBondContact O-N 3.15Å
219I63.6Low56.7Low114 Ų114108.1 Ų108.159%0.58554%0.537SS*.Hα-helixtrans-66.3-35.5173.6-69164.3000110.3R215 A223R215-I219 WeakPolarHBondContact O-CB 3.33Å; R215-I219 VanDerWaalsContact O-CD1 3.29Å; R215-I219 WeakPolarHBondContact O-CD1 3.33Å; R215-I219 WeakPolarHBondContact O-CG1 3.44Å; R215-I219 PolarHBondContact O-N 3.07Å; I219-A223 WeakPolarHBondContact O-CB 3.18Å; I219-A223 PolarHBondContact O-N 2.7Å
220S61.9Low56.6Low39 Ų39105.7 Ų105.727%0.27353%0.529SS..Hα-helixtrans-72-37.4178.883.50000112.6M216 D217 E218 A223 K224M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 2.91Å; M216-S220 PolarHBondContact O-OG 3.37Å; D217-S220 PolarHBondContact O-N 2.9Å; D217-S220 VanDerWaalsContact O-N 3.16Å; D217-S220 PolarHBondContact O-OG 3.42Å; E218-S220 VanDerWaalsContact C-N 3.31Å; S220-A223 PolarHBondContact O-N 2.7Å; S220-K224 VanDerWaalsContact O-CG 3.3Å; S220-K224 WeakPolarHBondContact O-CG 3.28Å; S220-K224 PolarHBondContact O-N 3.23Å
221D54.5Low56.1Low92 Ų92100.8 Ų100.849%0.49251%0.507SS..Hα-helixtrans-73.2-36.1175.2-78.3-13.6000110.7D217 A223 K224 V225D217-D221 PolarHBondContact O-N 3.11Å; D221-A223 VanDerWaalsContact C-N 3.33Å; D221-K224 PolarHBondContact O-N 3.38Å; D221-K224 IonicContact OD1-NZ 2.7Å; D221-K224 PolarHBondContact OD1-NZ 3.47Å; D221-V225 WeakPolarHBondContact O-CG2 3.35Å; D221-V225 PolarHBondContact O-N 2.91Å
222H56Low56.1Low124 Ų124102.8 Ų102.857%0.57451%0.512SS*.Hα-helixtrans-68-33.2169.8-151.964.4000112.2E218 V225 L226E218-H222 VanDerWaalsContact O-CB 3.26Å; E218-H222 WeakPolarHBondContact O-CB 3.38Å; E218-H222 PolarHBondContact O-N 3.15Å; H222-V225 PolarHBondContact O-N 2.88Å; H222-L226 WeakPolarHBondContact O-CG 2.82Å; H222-L226 PolarHBondContact O-N 3.11Å; H222-L226 VanDerWaalsContact O-N 3.1Å
223A49.3Very low55.9Low44 Ų44107.7 Ų107.736%0.36453%0.534SS..Hα-helixtrans-71.9-35.8174.900000112.6I219 S220 D221 V225 L226 T227I219-A223 WeakPolarHBondContact O-CB 3.18Å; I219-A223 PolarHBondContact O-N 2.7Å; S220-A223 PolarHBondContact O-N 2.7Å; D221-A223 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 2.67Å; A223-L226 CarbonylContact O-C 3.38Å; A223-L226 PolarHBondContact O-N 3.25Å; A223-L226 VanDerWaalsContact O-N 3.09Å; A223-T227 PolarHBondContact O-N 3.19Å; A223-T227 PolarHBondContact O-OG1 3.13Å
224K52.1Low56.1Low136 Ų136104.1 Ų104.159%0.59152%0.521SS*.Hα-helixtrans-63.3-29.7171.2-73.4169.2-158.7154.10112.3S220 D221 T227S220-K224 VanDerWaalsContact O-CG 3.3Å; S220-K224 WeakPolarHBondContact O-CG 3.28Å; S220-K224 PolarHBondContact O-N 3.23Å; D221-K224 PolarHBondContact O-N 3.38Å; D221-K224 IonicContact OD1-NZ 2.7Å; D221-K224 PolarHBondContact OD1-NZ 3.47Å; K224-T227 PolarHBondContact O-OG1 3.1Å
225V52.5Low56.5Low116 Ų116100.4 Ų100.470%0.70352%0.516SS*.Hα-helixtrans-76.5-27.5173.3173.10000111.9D221 H222 A223D221-V225 WeakPolarHBondContact O-CG2 3.35Å; D221-V225 PolarHBondContact O-N 2.91Å; H222-V225 PolarHBondContact O-N 2.88Å; A223-V225 PolarHBondContact O-N 2.67Å
226L46.9Very low56.7Low124 Ų12498.7 Ų98.765%0.64952%0.515SS*.Hα-helixtrans-94.9-18.8-178-73.4169.1000114.8H222 A223 L228H222-L226 WeakPolarHBondContact O-CG 2.82Å; H222-L226 PolarHBondContact O-N 3.11Å; H222-L226 VanDerWaalsContact O-N 3.1Å; A223-L226 CarbonylContact O-C 3.38Å; A223-L226 PolarHBondContact O-N 3.25Å; A223-L226 VanDerWaalsContact O-N 3.09Å; L226-L228 PolarHBondContact O-N 3.09Å
227T46.8Very low57.4Low94 Ų9496.4 Ų96.458%0.57750%0.503SS*.SBendtrans-68.6101.4164.150.70000107.1A223 K224 S229A223-T227 PolarHBondContact O-N 3.19Å; A223-T227 PolarHBondContact O-OG1 3.13Å; K224-T227 PolarHBondContact O-OG1 3.1Å; T227-S229 PolarHBondContact O-N 2.94Å
228L46.8Very low58.2Low152 Ų15296.2 Ų96.280%0.79650%0.499SS*.  trans-31.9105.6163-81.5151.6000108L226 D230L226-L228 PolarHBondContact O-N 3.09Å; L228-D230 PolarHBondContact O-N 3.44Å
229S49.2Very low59.1Low32 Ų3291 Ų9122%0.22447%0.473CS..  trans-63.7113.9-178.647.20000107.1T227 D231 L232 R269T227-S229 PolarHBondContact O-N 2.94Å; S229-D231 PolarHBondContact O-N 3.18Å; S229-L232 PolarHBondContact O-N 3.33Å; S229-R269 PolarHBondContact OG-NH1 3.38Å
230D54Low60Low101 Ų10186.1 Ų86.154%0.5445%0.449SS..G310 helixtrans-39.1-20.3167.5-175.768.7000113L228 L232 E233 R234L228-D230 PolarHBondContact O-N 3.44Å; D230-L232 PolarHBondContact O-N 3.05Å; D230-E233 PolarHBondContact O-N 3.36Å; D230-R234 IonicContact OD2-CZ 2.67Å; D230-R234 IonicContact OD2-NE 3.73Å; D230-R234 IonicContact OD2-NH2 2.93Å; D230-R234 PolarHBondContact OD2-NH2 2.88Å
231D51.8Low61.1Low22 Ų2287.7 Ų87.712%0.11846%0.455CS..G310 helixtrans-61-30.4171.7-73-22.9000116.4S229 E233 R234 R239 I242 R269 L270S229-D231 PolarHBondContact O-N 3.18Å; D231-E233 VanDerWaalsContact C-N 3.27Å; D231-E233 PolarHBondContact O-N 3.46Å; D231-R234 WeakPolarHBondContact O-CB 2.99Å; D231-R234 PolarHBondContact O-N 2.71Å; D231-R234 IonicContact OD1-CZ 2.88Å; D231-R234 IonicContact OD1-NE 3.81Å; D231-R234 PolarHBondContact OD1-NE 3.49Å; D231-R234 IonicContact OD1-NH1 3.97Å; D231-R234 PolarHBondContact OD1-NH1 3.06Å; D231-R239 WeakPolarHBondContact O-CD 3.28Å; D231-R239 VanDerWaalsContact O-CG 3.29Å; D231-R239 WeakPolarHBondContact O-CG 3.4Å; D231-I242 HydrophobicContact CB-CD1 4.46Å; D231-I242 VanDerWaalsContact OD1-CD1 3.23Å; D231-I242 WeakPolarHBondContact OD1-CD1 3.13Å; D231-R269 IonicContact OD2-CZ 2.84Å; D231-R269 IonicContact OD2-NH1 2.7Å; D231-R269 PolarHBondContact OD2-NH1 3.25Å; D231-R269 VanDerWaalsContact OD2-NH1 3.11Å; D231-R269 IonicContact OD2-NH2 2.7Å; D231-R269 PolarHBondContact OD2-NH2 3.31Å; D231-L270 HydrophobicContact CB-CD2 3.72Å
232L57.4Low62.6Low81 Ų8185.2 Ų85.242%0.42444%0.441SS..G310 helixtrans-72.2-24.3-180-94.9128.3000112.6S229 D230 R234 R239 R269 D271S229-L232 PolarHBondContact O-N 3.33Å; D230-L232 PolarHBondContact O-N 3.05Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R239 PolarHBondContact O-NH1 3.44Å; L232-R269 WeakPolarHBondContact CD1-O 3.1Å; L232-D271 HydrophobicContact CD2-CB 4.34Å
233E57Low64.1Low178 Ų17879.4 Ų79.483%0.83241%0.414SS*.G310 helixtrans-80.7-10.8173.8-60.9-171.3176.700112.4D230 D231D230-E233 PolarHBondContact O-N 3.36Å; D231-E233 VanDerWaalsContact C-N 3.27Å; D231-E233 PolarHBondContact O-N 3.46Å
234R66.2Low65.9Low95 Ų9579.3 Ų79.336%0.35841%0.405SS..SBendtrans-76.2156.6177.7-62.5-176.1-173.5176.7-7.4111.6D230 D231 L232 E238 R239D230-R234 IonicContact OD2-CZ 2.67Å; D230-R234 IonicContact OD2-NE 3.73Å; D230-R234 IonicContact OD2-NH2 2.93Å; D230-R234 PolarHBondContact OD2-NH2 2.88Å; D231-R234 WeakPolarHBondContact O-CB 2.99Å; D231-R234 PolarHBondContact O-N 2.71Å; D231-R234 IonicContact OD1-CZ 2.88Å; D231-R234 IonicContact OD1-NE 3.81Å; D231-R234 PolarHBondContact OD1-NE 3.49Å; D231-R234 IonicContact OD1-NH1 3.97Å; D231-R234 PolarHBondContact OD1-NH1 3.06Å; L232-R234 VanDerWaalsContact C-N 3.27Å; R234-E238 HydrophobicContact CB-CB 3.97Å; R234-E238 WeakPolarHBondContact CB-OE2 3.24Å; R234-R239 HydrophobicContact CB-CG 4.35Å; R234-R239 PolarHBondContact O-NH1 3.18Å
235T74.9Confident67.7Low79 Ų7976.1 Ų76.149%0.48540%0.395SS..  trans-61.1153.3179.261.10000110.8E237 E238 R239T235-E237 PolarHBondContact O-N 3.09Å; T235-E237 VanDerWaalsContact O-N 3.12Å; T235-E238 PolarHBondContact N-OE2 3.27Å; T235-E238 PolarHBondContact O-N 3.42Å; T235-E238 VanDerWaalsContact OG1-CD 3.28Å; T235-E238 WeakPolarHBondContact OG1-CG 3.47Å; T235-E238 PolarHBondContact OG1-N 3.37Å; T235-E238 PolarHBondContact OG1-OE2 3.45Å; T235-R239 WeakPolarHBondContact O-CG 3.43Å; T235-R239 PolarHBondContact O-N 2.95Å
236I70.1Confident69.3Low92 Ų9273.1 Ų73.147%0.47237%0.372SS..Hα-helixtrans-54.3-35.4179.7-61.8169.4000110.9R239 V240 V272I236-R239 PolarHBondContact O-N 3.24Å; I236-V240 WeakPolarHBondContact O-CG2 3.35Å; I236-V240 PolarHBondContact O-N 3.33Å; I236-V272 HydrophobicContact CG2-CG1 4.49Å
237E70.3Confident71.2Confident72 Ų7267.2 Ų67.234%0.33634%0.342SS..Hα-helixtrans-63-49.1176.4-176.5-179.7175.700112.5T235 R239 V240 N241T235-E237 PolarHBondContact O-N 3.09Å; T235-E237 VanDerWaalsContact O-N 3.12Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.49Å; E237-V240 PolarHBondContact O-N 3.02Å; E237-N241 WeakPolarHBondContact O-CB 3.36Å; E237-N241 PolarHBondContact O-N 3.45Å
238E80.1Confident73.2Confident93 Ų9367.2 Ų67.244%0.43533%0.333SS..Hα-helixtrans-62.4-39.6178.4-71.6164.914300110.8R234 T235 N241 I242R234-E238 HydrophobicContact CB-CB 3.97Å; R234-E238 WeakPolarHBondContact CB-OE2 3.24Å; T235-E238 PolarHBondContact N-OE2 3.27Å; T235-E238 PolarHBondContact O-N 3.42Å; T235-E238 VanDerWaalsContact OG1-CD 3.28Å; T235-E238 WeakPolarHBondContact OG1-CG 3.47Å; T235-E238 PolarHBondContact OG1-N 3.37Å; T235-E238 PolarHBondContact OG1-OE2 3.45Å; E238-N241 PolarHBondContact O-N 3.04Å; E238-I242 WeakPolarHBondContact O-CB 3.44Å; E238-I242 VanDerWaalsContact O-CD1 3.3Å; E238-I242 WeakPolarHBondContact O-CD1 3.46Å; E238-I242 WeakPolarHBondContact O-CG1 3.44Å; E238-I242 PolarHBondContact O-N 2.92Å
239R79.1Confident75.2Confident30 Ų3064.8 Ų64.811%0.11332%0.317CS..Hα-helixtrans-63.2-43.1175.9-62.9-163.7-50.8-132.311.5112.2D231 L232 R234 T235 I236 E237 I242 L243 L270 V272D231-R239 WeakPolarHBondContact O-CD 3.28Å; D231-R239 VanDerWaalsContact O-CG 3.29Å; D231-R239 WeakPolarHBondContact O-CG 3.4Å; L232-R239 PolarHBondContact O-NH1 3.44Å; R234-R239 HydrophobicContact CB-CG 4.35Å; R234-R239 PolarHBondContact O-NH1 3.18Å; T235-R239 WeakPolarHBondContact O-CG 3.43Å; T235-R239 PolarHBondContact O-N 2.95Å; I236-R239 PolarHBondContact O-N 3.24Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.49Å; R239-I242 PolarHBondContact O-N 3.16Å; R239-L243 PolarHBondContact O-N 3.44Å; R239-L243 VanDerWaalsContact O-N 3.07Å; R239-L270 HydrophobicContact CB-CB 4.36Å; R239-L270 HydrophobicContact CB-CD2 4.35Å; R239-L270 VanDerWaalsContact CD-O 3.24Å; R239-L270 WeakPolarHBondContact CD-O 3.33Å; R239-L270 HydrophobicContact CG-CD2 4.37Å; R239-L270 PolarHBondContact NE-O 2.97Å; R239-V272 HydrophobicContact CB-CG1 4.06Å
240V82.3Confident77Confident12 Ų1265.2 Ų65.27%0.07331%0.314CS..Hα-helixtrans-66.3-39175.4173.70000111.2I236 E237 L243 F244 V272 M275 V279I236-V240 WeakPolarHBondContact O-CG2 3.35Å; I236-V240 PolarHBondContact O-N 3.33Å; E237-V240 PolarHBondContact O-N 3.02Å; V240-L243 PolarHBondContact O-N 3Å; V240-F244 WeakPolarHBondContact O-CB 3.5Å; V240-F244 PolarHBondContact O-N 3.22Å; V240-V272 HydrophobicContact CG2-CB 4.25Å; V240-V272 HydrophobicContact CG2-CG1 3.96Å; V240-M275 HydrophobicContact CG2-CB 4.14Å; V240-M275 HydrophobicContact CG2-CG 4.02Å; V240-V279 HydrophobicContact CG1-CG2 3.94Å
241N85.8Confident78.5Confident73 Ų7365.6 Ų65.639%0.3931%0.311SS..Hα-helixtrans-68.1-35.1178.1-172.261.5000112.5E237 E238 F244 D245E237-N241 WeakPolarHBondContact O-CB 3.36Å; E237-N241 PolarHBondContact O-N 3.45Å; E238-N241 PolarHBondContact O-N 3.04Å; N241-F244 WeakPolarHBondContact O-CB 3.43Å; N241-F244 PolarHBondContact O-N 3.04Å; N241-D245 PolarHBondContact O-N 3.29Å
242I85.8Confident80.1Confident40 Ų4071.3 Ų71.321%0.20534%0.337CS..Hα-helixtrans-64.1-45172.2-68158.4000110.3D231 E238 R239 F244 D245 F246 L270D231-I242 HydrophobicContact CB-CD1 4.46Å; D231-I242 VanDerWaalsContact OD1-CD1 3.23Å; D231-I242 WeakPolarHBondContact OD1-CD1 3.13Å; E238-I242 WeakPolarHBondContact O-CB 3.44Å; E238-I242 VanDerWaalsContact O-CD1 3.3Å; E238-I242 WeakPolarHBondContact O-CD1 3.46Å; E238-I242 WeakPolarHBondContact O-CG1 3.44Å; E238-I242 PolarHBondContact O-N 2.92Å; R239-I242 PolarHBondContact O-N 3.16Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 2.85Å; I242-D245 PolarHBondContact O-N 3.38Å; I242-F246 WeakPolarHBondContact O-CB 3.13Å; I242-F246 PolarHBondContact O-N 2.87Å; I242-L270 HydrophobicContact CB-CD1 4.34Å; I242-L270 HydrophobicContact CG2-CD1 4.03Å; I242-L270 HydrophobicContact CG2-CD2 4.39Å
243L87.3Confident81.4Confident1 Ų172.6 Ų72.61%0.00534%0.341CS..Hα-helixtrans-60.7-40.1174.4-176.364.7000111.2R239 V240 F246 V247 E266 A267 L270 V272 V279R239-L243 PolarHBondContact O-N 3.44Å; R239-L243 VanDerWaalsContact O-N 3.07Å; V240-L243 PolarHBondContact O-N 3Å; L243-F246 PolarHBondContact O-N 3.3Å; L243-V247 HydrophobicContact CD1-CG2 4.37Å; L243-V247 HydrophobicContact CG-CG2 4.48Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.37Å; L243-V247 PolarHBondContact O-N 3.44Å; L243-E266 HydrophobicContact CD1-CB 4.29Å; L243-E266 HydrophobicContact CD1-CG 4.05Å; L243-A267 HydrophobicContact CD1-CB 4.09Å; L243-A267 HydrophobicContact CD2-CB 3.91Å; L243-L270 HydrophobicContact CB-CD1 3.96Å; L243-V272 HydrophobicContact CD2-CG2 4.04Å; L243-V279 HydrophobicContact CD2-CG2 4.22Å; L243-V279 HydrophobicContact CG-CG1 4.4Å
244F87.1Confident82.5Confident42 Ų4266.8 Ų66.818%0.18433%0.329CS..Hα-helixtrans-61.9-47.7176.6-174-88.5000112.2V240 N241 I242 F246 V247 K248 V279 E282 V283V240-F244 WeakPolarHBondContact O-CB 3.5Å; V240-F244 PolarHBondContact O-N 3.22Å; N241-F244 WeakPolarHBondContact O-CB 3.43Å; N241-F244 PolarHBondContact O-N 3.04Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 2.85Å; F244-F246 VanDerWaalsContact C-N 3.3Å; F244-F246 PolarHBondContact O-N 3.39Å; F244-V247 PolarHBondContact O-N 3.09Å; F244-K248 HydrophobicContact CE1-CD 4.33Å; F244-K248 VanDerWaalsContact O-CB 3.28Å; F244-K248 WeakPolarHBondContact O-CB 3.29Å; F244-K248 PolarHBondContact O-N 2.77Å; F244-V279 HydrophobicContact CB-CG1 4.17Å; F244-V279 HydrophobicContact CD2-CG1 4Å; F244-E282 HydrophobicContact CE2-CB 4.08Å; F244-E282 HydrophobicContact CE2-CG 3.83Å; F244-E282 HydrophobicContact CZ-CG 4.37Å; F244-V283 HydrophobicContact CD2-CG2 3.98Å; F244-V283 HydrophobicContact CE2-CG2 3.65Å; F244-V283 HydrophobicContact CZ-CG2 4.07Å
245D89.8Confident83.4Confident70 Ų7065.9 Ų65.937%0.37433%0.331SS..Hα-helixtrans-61.8-39.3176.3-172.958.3000111.6N241 I242 K248 K249N241-D245 PolarHBondContact O-N 3.29Å; I242-D245 PolarHBondContact O-N 3.38Å; D245-K248 PolarHBondContact O-N 2.88Å; D245-K249 WeakPolarHBondContact O-CB 3.36Å; D245-K249 WeakPolarHBondContact O-CG 3.49Å; D245-K249 PolarHBondContact O-N 2.93Å; D245-K249 WeakPolarHBondContact OD2-CE 3.43Å; D245-K249 IonicContact OD2-NZ 3.7Å; D245-K249 PolarHBondContact OD2-NZ 2.83Å
246F87.3Confident83.5Confident52 Ų5262.5 Ų62.523%0.22831%0.309CS..Hα-helixtrans-62-49.7175.5-176-95.8000112.4I242 L243 F244 K248 K249 K250 I263 E266I242-F246 WeakPolarHBondContact O-CB 3.13Å; I242-F246 PolarHBondContact O-N 2.87Å; L243-F246 PolarHBondContact O-N 3.3Å; F244-F246 VanDerWaalsContact C-N 3.3Å; F244-F246 PolarHBondContact O-N 3.39Å; F246-K248 VanDerWaalsContact C-N 3.31Å; F246-K248 PolarHBondContact O-N 2.93Å; F246-K249 PolarHBondContact O-N 3.37Å; F246-K250 HydrophobicContact CD1-CG 4.35Å; F246-K250 HydrophobicContact CE1-CG 4.04Å; F246-K250 HydrophobicContact CZ-CG 4.29Å; F246-K250 WeakPolarHBondContact O-CG 3.36Å; F246-K250 PolarHBondContact O-N 2.81Å; F246-I263 HydrophobicContact CE1-CG1 4.2Å; F246-E266 HydrophobicContact CD1-CB 4.25Å; F246-E266 HydrophobicContact CD1-CG 4.03Å; F246-E266 HydrophobicContact CD2-CG 4.36Å; F246-E266 HydrophobicContact CE1-CB 4.14Å; F246-E266 HydrophobicContact CE1-CG 4.33Å; F246-E266 HydrophobicContact CG-CG 4.05Å
247V87.1Confident83.9Confident1 Ų161.3 Ų61.31%0.00630%0.304CS..Hα-helixtrans-66.1-36.7179.3178.90000110.9L243 F244 K250 K251 I256 I263 V279 L280 V283L243-V247 HydrophobicContact CD1-CG2 4.37Å; L243-V247 HydrophobicContact CG-CG2 4.48Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.37Å; L243-V247 PolarHBondContact O-N 3.44Å; F244-V247 PolarHBondContact O-N 3.09Å; V247-K250 PolarHBondContact O-N 3.49Å; V247-K251 PolarHBondContact O-N 3.35Å; V247-I256 HydrophobicContact CG1-CD1 4.07Å; V247-I263 HydrophobicContact CG2-CD1 4.41Å; V247-I263 HydrophobicContact CG2-CG1 4.29Å; V247-I263 HydrophobicContact CG2-CG2 3.74Å; V247-V279 HydrophobicContact CB-CG1 4.17Å; V247-V279 HydrophobicContact CG2-CG1 4.03Å; V247-L280 HydrophobicContact CG1-CD2 4.09Å; V247-V283 HydrophobicContact CB-CG2 4.39Å; V247-V283 HydrophobicContact CG1-CB 3.9Å; V247-V283 HydrophobicContact CG1-CG1 3.86Å; V247-V283 HydrophobicContact CG1-CG2 4.02Å
248K88.9Confident84.4Confident93 Ų9361.4 Ų61.440%0.40431%0.312SS..Hα-helixtrans-64-46.4175.3-172.9179.5176.1-173.70111.9F244 D245 F246 K250 K251 E252F244-K248 HydrophobicContact CE1-CD 4.33Å; F244-K248 VanDerWaalsContact O-CB 3.28Å; F244-K248 WeakPolarHBondContact O-CB 3.29Å; F244-K248 PolarHBondContact O-N 2.77Å; D245-K248 PolarHBondContact O-N 2.88Å; F246-K248 VanDerWaalsContact C-N 3.31Å; F246-K248 PolarHBondContact O-N 2.93Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 2.78Å; K248-K251 WeakPolarHBondContact O-CB 3.06Å; K248-K251 PolarHBondContact O-N 2.84Å; K248-K251 VanDerWaalsContact O-N 3.13Å; K248-E252 WeakPolarHBondContact CE-OE1 3.28Å; K248-E252 WeakPolarHBondContact O-CG 3.26Å; K248-E252 PolarHBondContact O-N 3.17Å
249K88.6Confident84.4Confident102 Ų10257 Ų5744%0.44329%0.292SS..Hα-helixtrans-57.7-44.6173.6-77.2169.6174.7162.50111.7D245 F246 K251 E252 E253D245-K249 WeakPolarHBondContact O-CB 3.36Å; D245-K249 WeakPolarHBondContact O-CG 3.49Å; D245-K249 PolarHBondContact O-N 2.93Å; D245-K249 WeakPolarHBondContact OD2-CE 3.43Å; D245-K249 IonicContact OD2-NZ 3.7Å; D245-K249 PolarHBondContact OD2-NZ 2.83Å; F246-K249 PolarHBondContact O-N 3.37Å; K249-K251 VanDerWaalsContact C-N 3.26Å; K249-K251 PolarHBondContact O-N 2.84Å; K249-E252 PolarHBondContact O-N 3.3Å; K249-E252 VanDerWaalsContact O-N 3.13Å; K249-E253 WeakPolarHBondContact O-CB 3.5Å; K249-E253 WeakPolarHBondContact O-CG 3.42Å; K249-E253 PolarHBondContact O-N 3.23Å
250K86.1Confident84.5Confident40 Ų4055.9 Ų55.917%0.17429%0.288CS..Hα-helixtrans-63.6-31177.2-70-70.7161.6-148.30113.5F246 V247 K248 E253 G254 I255 I256F246-K250 HydrophobicContact CD1-CG 4.35Å; F246-K250 HydrophobicContact CE1-CG 4.04Å; F246-K250 HydrophobicContact CZ-CG 4.29Å; F246-K250 WeakPolarHBondContact O-CG 3.36Å; F246-K250 PolarHBondContact O-N 2.81Å; V247-K250 PolarHBondContact O-N 3.49Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-K250 PolarHBondContact O-N 2.78Å; K250-E253 IonicContact NZ-OE2 3.57Å; K250-E253 PolarHBondContact NZ-OE2 3.16Å; K250-G254 PolarHBondContact O-N 2.82Å; K250-I255 PolarHBondContact O-N 2.94Å; K250-I256 PolarHBondContact O-N 3.17Å
251K85.2Confident84.7Confident109 Ų10961.7 Ų61.747%0.47431%0.312SS..Hα-helixtrans-70.1-44172-176.6179173.8-175.90111.7V247 K248 K249 E253 G254 I256 V283V247-K251 PolarHBondContact O-N 3.35Å; K248-K251 WeakPolarHBondContact O-CB 3.06Å; K248-K251 PolarHBondContact O-N 2.84Å; K248-K251 VanDerWaalsContact O-N 3.13Å; K249-K251 VanDerWaalsContact C-N 3.26Å; K249-K251 PolarHBondContact O-N 2.84Å; K251-E253 VanDerWaalsContact C-N 3.33Å; K251-G254 PolarHBondContact O-N 2.79Å; K251-G254 VanDerWaalsContact O-N 3.13Å; K251-I256 HydrophobicContact CB-CD1 3.93Å; K251-V283 HydrophobicContact CB-CG1 4.05Å; K251-V283 HydrophobicContact CD-CG1 3.55Å; K251-V283 WeakPolarHBondContact CD-O 3.48Å; K251-V283 WeakPolarHBondContact CE-O 3.35Å; K251-V283 HydrophobicContact CG-CG1 4.43Å; K251-V283 PolarHBondContact NZ-O 3.4Å
252E85.9Confident84.8Confident143 Ų14362.6 Ų62.667%0.66831%0.314SS*.Hα-helixtrans-65.9-35.9178.8-70.9174.3-173.900112.1K248 K249 G254K248-E252 WeakPolarHBondContact CE-OE1 3.28Å; K248-E252 WeakPolarHBondContact O-CG 3.26Å; K248-E252 PolarHBondContact O-N 3.17Å; K249-E252 PolarHBondContact O-N 3.3Å; K249-E252 VanDerWaalsContact O-N 3.13Å; E252-G254 PolarHBondContact O-N 3.46Å
253E84.9Confident84.8Confident107 Ų10760.7 Ų60.750%0.531%0.305SS..THydrogen-bonded Turntrans-70.5-16.2173.2-70.9171.6-178.300113.2K249 K250 K251 I255K249-E253 WeakPolarHBondContact O-CB 3.5Å; K249-E253 WeakPolarHBondContact O-CG 3.42Å; K249-E253 PolarHBondContact O-N 3.23Å; K250-E253 IonicContact NZ-OE2 3.57Å; K250-E253 PolarHBondContact NZ-OE2 3.16Å; K251-E253 VanDerWaalsContact C-N 3.33Å; E253-I255 VanDerWaalsContact C-N 3.26Å; E253-I255 HydrophobicContact CB-CD1 4.05Å; E253-I255 HydrophobicContact CB-CG1 4.14Å; E253-I255 PolarHBondContact O-N 2.86Å
254G80.7Confident84.8Confident56 Ų5661.3 Ų61.358%0.57731%0.309SS*.THydrogen-bonded Turntrans73.99.5-179.400000115.1K250 K251 E252K250-G254 PolarHBondContact O-N 2.82Å; K251-G254 PolarHBondContact O-N 2.79Å; K251-G254 VanDerWaalsContact O-N 3.13Å; E252-G254 PolarHBondContact O-N 3.46Å
255I83.4Confident84.9Confident77 Ų7761.9 Ų61.940%0.39532%0.321SS..  trans-93.9-0.6-176.7-49.5168.8000111.4K250 E253 D257 S258 S259K250-I255 PolarHBondContact O-N 2.94Å; E253-I255 VanDerWaalsContact C-N 3.26Å; E253-I255 HydrophobicContact CB-CD1 4.05Å; E253-I255 HydrophobicContact CB-CG1 4.14Å; E253-I255 PolarHBondContact O-N 2.86Å; I255-D257 PolarHBondContact O-N 3.29Å; I255-S258 WeakPolarHBondContact CG2-OG 3.37Å; I255-S258 PolarHBondContact O-N 3.07Å; I255-S258 PolarHBondContact O-OG 3.39Å; I255-S258 VanDerWaalsContact O-OG 3.09Å; I255-S259 PolarHBondContact O-N 3.5Å; I255-S259 PolarHBondContact O-OG 2.67Å
256I78.2Confident84.7Confident7 Ų760 Ų604%0.03631%0.31CS..THydrogen-bonded Turntrans-55.8-31-173.5-162.8147.4000113.8V247 K250 K251 S258 S259 I263 L284 Y296 H299V247-I256 HydrophobicContact CG1-CD1 4.07Å; K250-I256 PolarHBondContact O-N 3.17Å; K251-I256 HydrophobicContact CB-CD1 3.93Å; I256-S258 VanDerWaalsContact C-N 3.26Å; I256-S258 PolarHBondContact O-N 3.34Å; I256-S259 PolarHBondContact O-N 2.92Å; I256-I263 HydrophobicContact CG1-CD1 4.34Å; I256-L284 HydrophobicContact CD1-CD2 3.41Å; I256-L284 VanDerWaalsContact CD1-CD2 3.41Å; I256-L284 HydrophobicContact CD1-CG 4.29Å; I256-L284 HydrophobicContact CG1-CD2 4.03Å; I256-Y296 HydrophobicContact CG2-CE1 4.16Å; I256-H299 PolarHBondContact O-NE2 2.76Å
257D78.7Confident84.7Confident68 Ų6857.6 Ų57.636%0.36430%0.299SS..THydrogen-bonded Turntrans-64.9-25.4-179.2-70.4-18.5000113.5I255 K295 Y296 R298I255-D257 PolarHBondContact O-N 3.29Å; D257-K295 WeakPolarHBondContact OD1-CE 3.46Å; D257-K295 IonicContact OD1-NZ 2.67Å; D257-K295 PolarHBondContact OD1-NZ 3.5Å; D257-K295 WeakPolarHBondContact OD2-CE 3.41Å; D257-K295 IonicContact OD2-NZ 3.21Å; D257-K295 PolarHBondContact OD2-NZ 3.4Å; D257-Y296 WeakPolarHBondContact OD1-CE1 3.39Å; D257-R298 PolarHBondContact O-NH2 2.99Å
258S80.6Confident84.7Confident73 Ų7362.3 Ų62.351%0.5132%0.321SS..THydrogen-bonded Turntrans-105.3-14.9177.948.70000114.3I255 I256 D260I255-S258 WeakPolarHBondContact CG2-OG 3.37Å; I255-S258 PolarHBondContact O-N 3.07Å; I255-S258 PolarHBondContact O-OG 3.39Å; I255-S258 VanDerWaalsContact O-OG 3.09Å; I256-S258 VanDerWaalsContact C-N 3.26Å; I256-S258 PolarHBondContact O-N 3.34Å; S258-D260 PolarHBondContact O-N 2.95Å
259S80.3Confident84.5Confident0 Ų061.7 Ų61.70%032%0.317CS..THydrogen-bonded Turntrans-84.522.8-174-69.20000115.2I255 I256 K261 E262 I263I255-S259 PolarHBondContact O-N 3.5Å; I255-S259 PolarHBondContact O-OG 2.67Å; I256-S259 PolarHBondContact O-N 2.92Å; S259-K261 PolarHBondContact O-N 3.22Å; S259-E262 WeakPolarHBondContact CA-OE2 3.21Å; S259-E262 WeakPolarHBondContact CB-OE2 3.43Å; S259-E262 PolarHBondContact O-N 3.11Å; S259-E262 PolarHBondContact OG-OE2 3.29Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.17Å; S259-I263 PolarHBondContact O-N 3.46Å; S259-I263 VanDerWaalsContact O-N 3.11Å
260D81.3Confident84.2Confident8 Ų856.9 Ų56.94%0.04330%0.295CS..Hα-helixtrans-61-32.2-179.249.1-70.7000113.1S258 V264 R298 R302S258-D260 PolarHBondContact O-N 2.95Å; D260-V264 VanDerWaalsContact O-CG2 3.24Å; D260-V264 WeakPolarHBondContact O-CG2 3.45Å; D260-R298 VanDerWaalsContact CG-NE 3.32Å; D260-R298 IonicContact OD1-CZ 2.95Å; D260-R298 IonicContact OD1-NE 2.76Å; D260-R298 PolarHBondContact OD1-NE 3.04Å; D260-R298 VanDerWaalsContact OD1-NE 3.17Å; D260-R298 IonicContact OD1-NH2 2.79Å; D260-R298 PolarHBondContact OD1-NH2 2.8Å; D260-R298 IonicContact OD2-NE 3.05Å; D260-R298 PolarHBondContact OD2-NE 2.79Å; D260-R302 IonicContact OD2-CZ 2.75Å; D260-R302 VanDerWaalsContact OD2-CZ 3.24Å; D260-R302 IonicContact OD2-NE 3.04Å; D260-R302 PolarHBondContact OD2-NE 2.72Å; D260-R302 IonicContact OD2-NH2 3.47Å; D260-R302 PolarHBondContact OD2-NH2 2.7Å
261K86.1Confident84Confident133 Ų13360.4 Ų60.458%0.57832%0.316SS*.Hα-helixtrans-79-40.7178.5-62.9177.2-172.8174.80112.3S259 V264 A265S259-K261 PolarHBondContact O-N 3.22Å; K261-V264 PolarHBondContact O-N 2.93Å; K261-A265 WeakPolarHBondContact O-CB 3.15Å; K261-A265 PolarHBondContact O-N 3.43Å
262E87.1Confident84Confident92 Ų9255.5 Ų55.543%0.4330%0.295SS..Hα-helixtrans-64.5-40.1179.6-65.5108.4-12900111.7S259 V264 A265 E266S259-E262 WeakPolarHBondContact CA-OE2 3.21Å; S259-E262 WeakPolarHBondContact CB-OE2 3.43Å; S259-E262 PolarHBondContact O-N 3.11Å; S259-E262 PolarHBondContact OG-OE2 3.29Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.31Å; E262-A265 PolarHBondContact O-N 3.4Å; E262-E266 WeakPolarHBondContact O-CB 3.3Å; E262-E266 PolarHBondContact O-N 2.91Å
263I86.7Confident83.9Confident1 Ų152.2 Ų52.21%0.00528%0.279CS..Hα-helixtrans-65.3-37.1178-62.3166.5000111.1F246 V247 I256 S259 A267 L280 F303F246-I263 HydrophobicContact CE1-CG1 4.2Å; V247-I263 HydrophobicContact CG2-CD1 4.41Å; V247-I263 HydrophobicContact CG2-CG1 4.29Å; V247-I263 HydrophobicContact CG2-CG2 3.74Å; I256-I263 HydrophobicContact CG1-CD1 4.34Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.17Å; S259-I263 PolarHBondContact O-N 3.46Å; S259-I263 VanDerWaalsContact O-N 3.11Å; I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 3.22Å; I263-L280 HydrophobicContact CD1-CD2 4.37Å; I263-L280 HydrophobicContact CG2-CD2 4.29Å; I263-F303 HydrophobicContact CG2-CE2 4.14Å; I263-F303 HydrophobicContact CG2-CZ 3.99Å
264V87.8Confident83.9Confident14 Ų1447.8 Ų47.89%0.08526%0.26CS..Hα-helixtrans-68.5-44.5175.7174.70000110.9D260 K261 E262 E266 A267 E268 R302 F303D260-V264 VanDerWaalsContact O-CG2 3.24Å; D260-V264 WeakPolarHBondContact O-CG2 3.45Å; K261-V264 PolarHBondContact O-N 2.93Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.31Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 2.66Å; V264-A267 PolarHBondContact O-N 3.46Å; V264-E268 HydrophobicContact CG1-CG 4.45Å; V264-E268 WeakPolarHBondContact O-CB 3.24Å; V264-E268 WeakPolarHBondContact O-CG 3.26Å; V264-E268 PolarHBondContact O-N 2.92Å; V264-R302 HydrophobicContact CG2-CB 3.74Å; V264-F303 HydrophobicContact CB-CE1 4.42Å; V264-F303 HydrophobicContact CB-CZ 4.11Å; V264-F303 HydrophobicContact CG2-CD1 4.46Å; V264-F303 HydrophobicContact CG2-CD2 4.14Å; V264-F303 HydrophobicContact CG2-CE1 3.95Å; V264-F303 HydrophobicContact CG2-CE2 3.56Å; V264-F303 HydrophobicContact CG2-CZ 3.46Å; V264-F303 VanDerWaalsContact CG2-CZ 3.46Å
265A87.8Confident84Confident54 Ų5446.5 Ų46.545%0.44624%0.24SC..Hα-helixtrans-61.3-39.8177.600000111.8K261 E262 E268 R269K261-A265 WeakPolarHBondContact O-CB 3.15Å; K261-A265 PolarHBondContact O-N 3.43Å; E262-A265 PolarHBondContact O-N 3.4Å; A265-E268 PolarHBondContact O-N 2.73Å; A265-R269 WeakPolarHBondContact O-CB 3.31Å; A265-R269 PolarHBondContact O-N 3.14Å
266E86Confident84.2Confident31 Ų3142.9 Ų42.915%0.14522%0.221CC..Hα-helixtrans-68.8-40.4176.6-173.660.8-166.800112L243 F246 E262 V264 E268 R269 L270L243-E266 HydrophobicContact CD1-CB 4.29Å; L243-E266 HydrophobicContact CD1-CG 4.05Å; F246-E266 HydrophobicContact CD1-CB 4.25Å; F246-E266 HydrophobicContact CD1-CG 4.03Å; F246-E266 HydrophobicContact CD2-CG 4.36Å; F246-E266 HydrophobicContact CE1-CB 4.14Å; F246-E266 HydrophobicContact CE1-CG 4.33Å; F246-E266 HydrophobicContact CG-CG 4.05Å; E262-E266 WeakPolarHBondContact O-CB 3.3Å; E262-E266 PolarHBondContact O-N 2.91Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 2.66Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.1Å; E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 3.35Å; E266-R269 IonicContact OE1-CZ 3.42Å; E266-R269 VanDerWaalsContact OE1-CZ 3.3Å; E266-R269 IonicContact OE1-NE 2.6Å; E266-R269 PolarHBondContact OE1-NE 3.09Å; E266-R269 IonicContact OE1-NH2 2.73Å; E266-R269 PolarHBondContact OE1-NH2 3.49Å; E266-R269 IonicContact OE2-CZ 3.34Å; E266-R269 IonicContact OE2-NE 3.63Å; E266-R269 PolarHBondContact OE2-NE 2.76Å; E266-R269 IonicContact OE2-NH2 2.99Å; E266-L270 HydrophobicContact CG-CD1 4.09Å; E266-L270 WeakPolarHBondContact O-CB 3.34Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 3.25Å
267A87.2Confident84.7Confident0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-66.9-31.2174.800000112.8L243 I263 V264 D271 V272 K273 F303L243-A267 HydrophobicContact CD1-CB 4.09Å; L243-A267 HydrophobicContact CD2-CB 3.91Å; I263-A267 WeakPolarHBondContact O-CB 3.44Å; I263-A267 PolarHBondContact O-N 3.22Å; V264-A267 PolarHBondContact O-N 3.46Å; A267-D271 PolarHBondContact O-N 2.99Å; A267-V272 PolarHBondContact O-N 3.34Å; A267-K273 PolarHBondContact O-N 3.2Å; A267-F303 HydrophobicContact CB-CE1 3.71Å; A267-F303 HydrophobicContact CB-CZ 4.06Å
268E87.6Confident85.1Confident101 Ų10140.3 Ų40.347%0.47221%0.208SC..Hα-helixtrans-71.5-42.4171.5-77.1176.117500111.6V264 A265 E266 L270 D271 K273V264-E268 HydrophobicContact CG1-CG 4.45Å; V264-E268 WeakPolarHBondContact O-CB 3.24Å; V264-E268 WeakPolarHBondContact O-CG 3.26Å; V264-E268 PolarHBondContact O-N 2.92Å; A265-E268 PolarHBondContact O-N 2.73Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.1Å; E268-L270 VanDerWaalsContact C-N 3.26Å; E268-L270 PolarHBondContact O-N 3.09Å; E268-D271 PolarHBondContact O-N 3.34Å; E268-D271 VanDerWaalsContact O-N 3.14Å; E268-K273 HydrophobicContact CG-CD 3.84Å; E268-K273 HydrophobicContact CG-CG 4.38Å; E268-K273 WeakPolarHBondContact OE1-CE 3.46Å; E268-K273 IonicContact OE1-NZ 3.62Å; E268-K273 PolarHBondContact OE1-NZ 3.11Å
269R85Confident85.5Confident80 Ų8037.1 Ų37.130%0.30219%0.185SC..Hα-helixtrans-57.8-40.5174.8-172.4-173.174.483.5-5.8111.8S229 D231 L232 A265 E266 D271S229-R269 PolarHBondContact OG-NH1 3.38Å; D231-R269 IonicContact OD2-CZ 2.84Å; D231-R269 IonicContact OD2-NH1 2.7Å; D231-R269 PolarHBondContact OD2-NH1 3.25Å; D231-R269 VanDerWaalsContact OD2-NH1 3.11Å; D231-R269 IonicContact OD2-NH2 2.7Å; D231-R269 PolarHBondContact OD2-NH2 3.31Å; L232-R269 WeakPolarHBondContact CD1-O 3.1Å; A265-R269 WeakPolarHBondContact O-CB 3.31Å; A265-R269 PolarHBondContact O-N 3.14Å; E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 3.35Å; E266-R269 IonicContact OE1-CZ 3.42Å; E266-R269 VanDerWaalsContact OE1-CZ 3.3Å; E266-R269 IonicContact OE1-NE 2.6Å; E266-R269 PolarHBondContact OE1-NE 3.09Å; E266-R269 IonicContact OE1-NH2 2.73Å; E266-R269 PolarHBondContact OE1-NH2 3.49Å; E266-R269 IonicContact OE2-CZ 3.34Å; E266-R269 IonicContact OE2-NE 3.63Å; E266-R269 PolarHBondContact OE2-NE 2.76Å; E266-R269 IonicContact OE2-NH2 2.99Å; R269-D271 VanDerWaalsContact C-N 3.31Å
270L81.9Confident85.8Confident0 Ų037.1 Ų37.10%019%0.185CC..THydrogen-bonded Turntrans-85.91.1-178.6-68.5169.2000113.7D231 R239 I242 L243 E266 E268 V272D231-L270 HydrophobicContact CB-CD2 3.72Å; R239-L270 HydrophobicContact CB-CB 4.36Å; R239-L270 HydrophobicContact CB-CD2 4.35Å; R239-L270 VanDerWaalsContact CD-O 3.24Å; R239-L270 WeakPolarHBondContact CD-O 3.33Å; R239-L270 HydrophobicContact CG-CD2 4.37Å; R239-L270 PolarHBondContact NE-O 2.97Å; I242-L270 HydrophobicContact CB-CD1 4.34Å; I242-L270 HydrophobicContact CG2-CD1 4.03Å; I242-L270 HydrophobicContact CG2-CD2 4.39Å; L243-L270 HydrophobicContact CB-CD1 3.96Å; E266-L270 HydrophobicContact CG-CD1 4.09Å; E266-L270 WeakPolarHBondContact O-CB 3.34Å; E266-L270 WeakPolarHBondContact O-CG 3.24Å; E266-L270 PolarHBondContact O-N 3.25Å; E268-L270 VanDerWaalsContact C-N 3.26Å; E268-L270 PolarHBondContact O-N 3.09Å; L270-V272 HydrophobicContact CB-CG2 3.68Å; L270-V272 PolarHBondContact O-N 3.19Å
271D81.1Confident86.2Confident114 Ų11436.8 Ų36.861%0.6118%0.183SC*.THydrogen-bonded Turntrans51.736.9-176.6-162.632.4000113.5L232 A267 E268 R269L232-D271 HydrophobicContact CD2-CB 4.34Å; A267-D271 PolarHBondContact O-N 2.99Å; E268-D271 PolarHBondContact O-N 3.34Å; E268-D271 VanDerWaalsContact O-N 3.14Å; R269-D271 VanDerWaalsContact C-N 3.31Å
272V85.4Confident86.1Confident6 Ų634 Ų344%0.03617%0.172CC..  trans-125.928.7179.4-680000111.7I236 R239 V240 L243 A267 L270 A274 M275 G276I236-V272 HydrophobicContact CG2-CG1 4.49Å; R239-V272 HydrophobicContact CB-CG1 4.06Å; V240-V272 HydrophobicContact CG2-CB 4.25Å; V240-V272 HydrophobicContact CG2-CG1 3.96Å; L243-V272 HydrophobicContact CD2-CG2 4.04Å; A267-V272 PolarHBondContact O-N 3.34Å; L270-V272 HydrophobicContact CB-CG2 3.68Å; L270-V272 PolarHBondContact O-N 3.19Å; V272-A274 PolarHBondContact O-N 2.9Å; V272-A274 VanDerWaalsContact O-N 3.09Å; V272-M275 HydrophobicContact CB-CB 4.41Å; V272-M275 HydrophobicContact CB-CG 4.24Å; V272-M275 PolarHBondContact O-N 2.86Å; V272-G276 PolarHBondContact O-N 3.24Å
273K84.6Confident86.1Confident75 Ų7530 Ų3033%0.32615%0.154SC..G310 helixtrans-51.5-37.6-178.1-172.1177.1-175.8167.70113.3A267 E268 M275 G276 F303A267-K273 PolarHBondContact O-N 3.2Å; E268-K273 HydrophobicContact CG-CD 3.84Å; E268-K273 HydrophobicContact CG-CG 4.38Å; E268-K273 WeakPolarHBondContact OE1-CE 3.46Å; E268-K273 IonicContact OE1-NZ 3.62Å; E268-K273 PolarHBondContact OE1-NZ 3.11Å; K273-M275 VanDerWaalsContact C-N 3.32Å; K273-M275 PolarHBondContact O-N 3.37Å; K273-G276 PolarHBondContact O-N 2.81Å; K273-F303 HydrophobicContact CG-CD1 4.16Å; K273-F303 HydrophobicContact CG-CE1 4.36Å; K273-F303 WeakPolarHBondContact O-CD1 3.49Å
274A85.1Confident86Confident13 Ų1330.2 Ų30.211%0.10716%0.155CC..G310 helixtrans-68-28.2178.300000113.6V272 G276 P277 K309 A310 Y313V272-A274 PolarHBondContact O-N 2.9Å; V272-A274 VanDerWaalsContact O-N 3.09Å; A274-G276 VanDerWaalsContact C-N 3.34Å; A274-P277 WeakPolarHBondContact O-CD 3.23Å; A274-K309 HydrophobicContact CB-CB 4.26Å; A274-K309 HydrophobicContact CB-CD 3.84Å; A274-K309 HydrophobicContact CB-CG 3.86Å; A274-A310 WeakPolarHBondContact O-CA 3.48Å; A274-Y313 HydrophobicContact CB-CD2 4.15Å; A274-Y313 HydrophobicContact CB-CE2 4.2Å; A274-Y313 WeakPolarHBondContact O-CB 3.3Å; A274-Y313 WeakPolarHBondContact O-CD2 3.14Å
275M83.3Confident86Confident29 Ų2930.2 Ų30.214%0.14315%0.154CC..G310 helixtrans-83.7-10.9179.4-48.1-53.6146.200112.8V240 V272 K273 L278 V279 Y313V240-M275 HydrophobicContact CG2-CB 4.14Å; V240-M275 HydrophobicContact CG2-CG 4.02Å; V272-M275 HydrophobicContact CB-CB 4.41Å; V272-M275 HydrophobicContact CB-CG 4.24Å; V272-M275 PolarHBondContact O-N 2.86Å; K273-M275 VanDerWaalsContact C-N 3.32Å; K273-M275 PolarHBondContact O-N 3.37Å; M275-L278 WeakPolarHBondContact O-CB 3.16Å; M275-L278 PolarHBondContact O-N 2.76Å; M275-V279 PolarHBondContact O-N 3Å; M275-Y313 HydrophobicContact CE-CD2 4.11Å; M275-Y313 HydrophobicContact CE-CE1 4.09Å; M275-Y313 HydrophobicContact CE-CE2 3.28Å; M275-Y313 VanDerWaalsContact CE-OH 3.24Å; M275-Y313 WeakPolarHBondContact CE-OH 3.4Å; M275-Y313 HydrophobicContact SD-CD1 3.63Å; M275-Y313 HydrophobicContact SD-CD2 3.68Å; M275-Y313 HydrophobicContact SD-CE1 3.26Å; M275-Y313 WeakPolarHBondContact SD-CE1 3.5Å; M275-Y313 HydrophobicContact SD-CE2 3.31Å; M275-Y313 WeakPolarHBondContact SD-CE2 3.31Å; M275-Y313 HydrophobicContact SD-CG 3.85Å
276G86.1Confident85.8Confident1 Ų130 Ų301%0.0115%0.146CC..Hα-helixtrans-49.4-48.3-17800000114V272 K273 A274 L278 V279 L280V272-G276 PolarHBondContact O-N 3.24Å; K273-G276 PolarHBondContact O-N 2.81Å; A274-G276 VanDerWaalsContact C-N 3.34Å; G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 3.43Å; G276-V279 PolarHBondContact O-N 2.87Å; G276-L280 WeakPolarHBondContact O-CG 3.48Å; G276-L280 PolarHBondContact O-N 3.27Å
277P89.3Confident85.5Confident0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-60.2-35.8178.1-27.137000114.2A274 L280 T281 F300 F303 A310 L314A274-P277 WeakPolarHBondContact O-CD 3.23Å; P277-L280 PolarHBondContact O-N 2.86Å; P277-T281 VanDerWaalsContact O-CG2 3.24Å; P277-T281 WeakPolarHBondContact O-CG2 3.43Å; P277-T281 PolarHBondContact O-N 3.09Å; P277-T281 PolarHBondContact O-OG1 2.95Å; P277-F300 HydrophobicContact CB-CD1 4.23Å; P277-F300 HydrophobicContact CB-CE1 4.39Å; P277-F303 HydrophobicContact CG-CB 3.66Å; P277-F303 HydrophobicContact CG-CG 4.31Å; P277-A310 HydrophobicContact CG-CB 3.97Å; P277-L314 HydrophobicContact CB-CB 3.8Å; P277-L314 HydrophobicContact CB-CD1 4.28Å
278L87.9Confident85.4Confident22 Ų2238 Ų3812%0.11518%0.181CC..Hα-helixtrans-61.9-51.2177177.163000110.3M275 G276 L280 T281 E282 Y313 Y362M275-L278 WeakPolarHBondContact O-CB 3.16Å; M275-L278 PolarHBondContact O-N 2.76Å; G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 3.43Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.9Å; L278-T281 PolarHBondContact O-N 2.84Å; L278-T281 PolarHBondContact O-OG1 3.23Å; L278-E282 PolarHBondContact O-N 2.85Å; L278-Y313 HydrophobicContact CD2-CD1 4.39Å; L278-Y362 HydrophobicContact CD2-CE1 4.4Å
279V87.8Confident85.3Confident5 Ų533.2 Ų33.23%0.0316%0.159CC..Hα-helixtrans-58.6-44.3176.7174.60000111.2V240 L243 F244 V247 M275 G276 T281 E282 V283V240-V279 HydrophobicContact CG1-CG2 3.94Å; L243-V279 HydrophobicContact CD2-CG2 4.22Å; L243-V279 HydrophobicContact CG-CG1 4.4Å; F244-V279 HydrophobicContact CB-CG1 4.17Å; F244-V279 HydrophobicContact CD2-CG1 4Å; V247-V279 HydrophobicContact CB-CG1 4.17Å; V247-V279 HydrophobicContact CG2-CG1 4.03Å; M275-V279 PolarHBondContact O-N 3Å; G276-V279 PolarHBondContact O-N 2.87Å; V279-T281 PolarHBondContact O-N 2.65Å; V279-E282 PolarHBondContact O-N 3.01Å; V279-V283 WeakPolarHBondContact O-CG2 3.29Å; V279-V283 PolarHBondContact O-N 3.23Å; V279-V283 VanDerWaalsContact O-N 3.09Å
280L87.5Confident85.3Confident0 Ų034.4 Ų34.40%016%0.163CC..Hα-helixtrans-62-42.3178.2-72.7176.4000112.1V247 I263 G276 P277 L278 E282 V283 L284 H299 F300 F303V247-L280 HydrophobicContact CG1-CD2 4.09Å; I263-L280 HydrophobicContact CD1-CD2 4.37Å; I263-L280 HydrophobicContact CG2-CD2 4.29Å; G276-L280 WeakPolarHBondContact O-CG 3.48Å; G276-L280 PolarHBondContact O-N 3.27Å; P277-L280 PolarHBondContact O-N 2.86Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 2.9Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.03Å; L280-V283 PolarHBondContact O-N 3.27Å; L280-L284 HydrophobicContact CB-CD1 4.35Å; L280-L284 HydrophobicContact CD2-CD1 3.9Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 3.35Å; L280-H299 HydrophobicContact CD1-CB 4.3Å; L280-F300 HydrophobicContact CB-CD1 4.38Å; L280-F300 HydrophobicContact CB-CE1 3.53Å; L280-F300 HydrophobicContact CB-CE2 4.43Å; L280-F300 HydrophobicContact CB-CZ 3.56Å; L280-F300 HydrophobicContact CD1-CD1 4.18Å; L280-F300 HydrophobicContact CD1-CE1 4.13Å; L280-F300 HydrophobicContact CD1-CZ 4.47Å; L280-F303 HydrophobicContact CD1-CD2 3.64Å; L280-F303 HydrophobicContact CD1-CE2 3.67Å
281T88.3Confident85.5Confident1 Ų140.8 Ų40.81%0.00619%0.193CC..Hα-helixtrans-62.3-40.5178.258.80000112.2P277 L278 V279 F285 F300 L314 G317P277-T281 VanDerWaalsContact O-CG2 3.24Å; P277-T281 WeakPolarHBondContact O-CG2 3.43Å; P277-T281 PolarHBondContact O-N 3.09Å; P277-T281 PolarHBondContact O-OG1 2.95Å; L278-T281 PolarHBondContact O-N 2.84Å; L278-T281 PolarHBondContact O-OG1 3.23Å; V279-T281 PolarHBondContact O-N 2.65Å; T281-F285 HydrophobicContact CG2-CD2 3.54Å; T281-F285 HydrophobicContact CG2-CE2 3.51Å; T281-F285 WeakPolarHBondContact O-CA 3.32Å; T281-F285 VanDerWaalsContact O-CB 3.24Å; T281-F285 WeakPolarHBondContact O-CB 3.39Å; T281-F285 PolarHBondContact O-N 2.86Å; T281-F300 HydrophobicContact CG2-CE1 3.8Å; T281-F300 HydrophobicContact CG2-CZ 4.04Å; T281-L314 HydrophobicContact CG2-CD1 3.47Å; T281-L314 VanDerWaalsContact CG2-CD1 3.47Å; T281-G317 WeakPolarHBondContact OG1-CA 3.44Å
282E85.6Confident85.8Confident74 Ų7436.8 Ų36.835%0.34617%0.171SC..Hα-helixtrans-71.3-35.6-178.2-170.5161.1162.500112.5F244 L278 V279 L280F244-E282 HydrophobicContact CE2-CB 4.08Å; F244-E282 HydrophobicContact CE2-CG 3.83Å; F244-E282 HydrophobicContact CZ-CG 4.37Å; L278-E282 PolarHBondContact O-N 2.85Å; V279-E282 PolarHBondContact O-N 3.01Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.03Å
283V87.1Confident85.9Confident8 Ų836.5 Ų36.55%0.04817%0.169CC..Hα-helixtrans-81.7-38.8179.3-1800000112F244 V247 K251 V279 L280F244-V283 HydrophobicContact CD2-CG2 3.98Å; F244-V283 HydrophobicContact CE2-CG2 3.65Å; F244-V283 HydrophobicContact CZ-CG2 4.07Å; V247-V283 HydrophobicContact CB-CG2 4.39Å; V247-V283 HydrophobicContact CG1-CB 3.9Å; V247-V283 HydrophobicContact CG1-CG1 3.86Å; V247-V283 HydrophobicContact CG1-CG2 4.02Å; K251-V283 HydrophobicContact CB-CG1 4.05Å; K251-V283 HydrophobicContact CD-CG1 3.55Å; K251-V283 WeakPolarHBondContact CD-O 3.48Å; K251-V283 WeakPolarHBondContact CE-O 3.35Å; K251-V283 HydrophobicContact CG-CG1 4.43Å; K251-V283 PolarHBondContact NZ-O 3.4Å; V279-V283 WeakPolarHBondContact O-CG2 3.29Å; V279-V283 PolarHBondContact O-N 3.23Å; V279-V283 VanDerWaalsContact O-N 3.09Å; L280-V283 PolarHBondContact O-N 3.27Å
284L84.2Confident86.1Confident7 Ų739.8 Ų39.84%0.03718%0.184CC..Hα-helixtrans-97.5-31.4-170.1-63.9176.9000114.4I256 L280 Q292 Y296 F300I256-L284 HydrophobicContact CD1-CD2 3.41Å; I256-L284 VanDerWaalsContact CD1-CD2 3.41Å; I256-L284 HydrophobicContact CD1-CG 4.29Å; I256-L284 HydrophobicContact CG1-CD2 4.03Å; L280-L284 HydrophobicContact CB-CD1 4.35Å; L280-L284 HydrophobicContact CD2-CD1 3.9Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 3.35Å; L284-Q292 PolarHBondContact O-NE2 3Å; L284-Y296 HydrophobicContact CB-CD2 4.12Å; L284-Y296 HydrophobicContact CB-CE2 4.19Å; L284-Y296 HydrophobicContact CD1-CD1 3.94Å; L284-Y296 HydrophobicContact CD1-CD2 4.06Å; L284-Y296 HydrophobicContact CD1-CE1 4.37Å; L284-Y296 HydrophobicContact CD1-CE2 4.47Å; L284-Y296 HydrophobicContact CD1-CG 3.79Å; L284-Y296 HydrophobicContact CD2-CD1 4.41Å; L284-Y296 HydrophobicContact CD2-CD2 4.4Å; L284-Y296 HydrophobicContact CD2-CE1 4Å; L284-Y296 HydrophobicContact CD2-CE2 3.98Å; L284-Y296 HydrophobicContact CG-CD2 4.45Å; L284-Y296 HydrophobicContact CG-CE2 4.47Å; L284-F300 HydrophobicContact CD1-CE2 4.43Å
285F86.4Confident86.3Confident14 Ų1444.7 Ų44.76%0.06120%0.202CC..  trans-92.3144.9-173.5-62.4-26.4000113.3T281 I289 Q292 I293 F300 V321 M340T281-F285 HydrophobicContact CG2-CD2 3.54Å; T281-F285 HydrophobicContact CG2-CE2 3.51Å; T281-F285 WeakPolarHBondContact O-CA 3.32Å; T281-F285 VanDerWaalsContact O-CB 3.24Å; T281-F285 WeakPolarHBondContact O-CB 3.39Å; T281-F285 PolarHBondContact O-N 2.86Å; F285-I289 HydrophobicContact CB-CD1 4.3Å; F285-I289 HydrophobicContact CB-CG1 4.19Å; F285-I289 HydrophobicContact CD1-CG1 4.11Å; F285-I289 HydrophobicContact CD2-CD1 3.65Å; F285-I289 HydrophobicContact CD2-CG1 3.83Å; F285-I289 HydrophobicContact CE1-CG1 4.4Å; F285-I289 HydrophobicContact CE2-CD1 4.09Å; F285-I289 HydrophobicContact CE2-CG1 4.14Å; F285-I289 HydrophobicContact CG-CD1 4.05Å; F285-I289 HydrophobicContact CG-CG1 3.81Å; F285-I289 HydrophobicContact CZ-CG1 4.42Å; F285-Q292 HydrophobicContact CD1-CB 3.66Å; F285-Q292 HydrophobicContact CE1-CB 3.82Å; F285-I293 HydrophobicContact CE1-CG1 4.11Å; F285-I293 HydrophobicContact CE2-CG1 4.44Å; F285-I293 HydrophobicContact CZ-CG1 3.74Å; F285-F300 HydrophobicContact CD2-CZ 4.43Å; F285-F300 AromaticContact CE1-CE2 3.68Å; F285-F300 HydrophobicContact CE1-CE2 3.68Å; F285-F300 AromaticContact CE1-CZ 4Å; F285-F300 HydrophobicContact CE1-CZ 4Å; F285-F300 HydrophobicContact CE2-CE1 4.3Å; F285-F300 HydrophobicContact CE2-CE2 4.05Å; F285-F300 AromaticContact CE2-CZ 3.64Å; F285-F300 HydrophobicContact CE2-CZ 3.64Å; F285-F300 HydrophobicContact CZ-CD2 4.13Å; F285-F300 HydrophobicContact CZ-CE1 4.3Å; F285-F300 AromaticContact CZ-CE2 3.28Å; F285-F300 HydrophobicContact CZ-CE2 3.28Å; F285-F300 AromaticContact CZ-CZ 3.39Å; F285-F300 HydrophobicContact CZ-CZ 3.39Å; F285-V321 HydrophobicContact CB-CG1 4.25Å; F285-V321 HydrophobicContact CB-CG2 3.99Å; F285-M340 HydrophobicContact CE2-CE 4.09Å
286N84.4Confident86.5Confident50 Ų5044.5 Ų44.527%0.26720%0.2SC..SBendtrans-145.3-152.8172.869.34.9000109.9K288 I289 Q292N286-K288 PolarHBondContact O-N 2.95Å; N286-K288 PolarHBondContact OD1-N 2.83Å; N286-I289 PolarHBondContact O-N 3.49Å; N286-Q292 VanDerWaalsContact CG-NE2 3.25Å; N286-Q292 PolarHBondContact OD1-NE2 3.4Å; N286-Q292 PolarHBondContact OD1-OE1 3.12Å
287E80.1Confident86.6Confident85 Ų8548.9 Ų48.940%0.39722%0.216SC..THydrogen-bonded Turntrans-59.8-17177.673.5-72.2170.100114.6
288K85.3Confident86.5Confident113 Ų11354.8 Ų54.849%0.49124%0.239SC..THydrogen-bonded Turntrans-104.334.2178.4-58.4-172.2-176.3-1800113.5N286 R290 E291 Q292N286-K288 PolarHBondContact O-N 2.95Å; N286-K288 PolarHBondContact OD1-N 2.83Å; K288-R290 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.44Å; K288-E291 VanDerWaalsContact O-N 3.1Å; K288-Q292 PolarHBondContact O-N 3.05Å; K288-Q292 PolarHBondContact O-OE1 3.06Å
289I84.9Confident86.5Confident1 Ų154 Ų541%0.00523%0.234CC..Hα-helixtrans-48.3-37.8-179.1-169.3168.2000114.3F285 N286 E291 Q292 I293 L318 V321 L329 I336 M340F285-I289 HydrophobicContact CB-CD1 4.3Å; F285-I289 HydrophobicContact CB-CG1 4.19Å; F285-I289 HydrophobicContact CD1-CG1 4.11Å; F285-I289 HydrophobicContact CD2-CD1 3.65Å; F285-I289 HydrophobicContact CD2-CG1 3.83Å; F285-I289 HydrophobicContact CE1-CG1 4.4Å; F285-I289 HydrophobicContact CE2-CD1 4.09Å; F285-I289 HydrophobicContact CE2-CG1 4.14Å; F285-I289 HydrophobicContact CG-CD1 4.05Å; F285-I289 HydrophobicContact CG-CG1 3.81Å; F285-I289 HydrophobicContact CZ-CG1 4.42Å; N286-I289 PolarHBondContact O-N 3.49Å; I289-E291 PolarHBondContact O-N 2.94Å; I289-Q292 PolarHBondContact O-N 2.78Å; I289-I293 HydrophobicContact CG1-CD1 3.84Å; I289-I293 HydrophobicContact CG1-CG1 4.08Å; I289-I293 VanDerWaalsContact O-CG1 3.23Å; I289-I293 WeakPolarHBondContact O-CG1 3.26Å; I289-I293 PolarHBondContact O-N 2.82Å; I289-L318 HydrophobicContact CD1-CD1 3.62Å; I289-V321 HydrophobicContact CD1-CG1 4.38Å; I289-L329 HydrophobicContact CG2-CD2 3.85Å; I289-I336 HydrophobicContact CD1-CG2 4.21Å; I289-I336 HydrophobicContact CG2-CD1 3.56Å; I289-I336 HydrophobicContact CG2-CG1 3.92Å; I289-M340 HydrophobicContact CD1-CE 4.12Å
290R84.3Confident86.6Confident104 Ų10453.7 Ų53.739%0.39223%0.233SC..Hα-helixtrans-61.4-39.8-178.7-62.9-172.662.2-165.11114K288 I336 E339K288-R290 PolarHBondContact O-N 3.46Å; R290-I336 HydrophobicContact CG-CG1 4.05Å; R290-E339 WeakPolarHBondContact CA-OE2 3.38Å; R290-E339 WeakPolarHBondContact CB-OE2 3.09Å; R290-E339 WeakPolarHBondContact CG-OE2 3.42Å; R290-E339 IonicContact CZ-OE1 2.73Å; R290-E339 VanDerWaalsContact NE-CD 3.31Å; R290-E339 IonicContact NE-OE1 2.81Å; R290-E339 PolarHBondContact NE-OE1 2.97Å; R290-E339 IonicContact NE-OE2 3.97Å; R290-E339 PolarHBondContact NE-OE2 3.19Å; R290-E339 IonicContact NH2-OE1 3.47Å; R290-E339 PolarHBondContact NH2-OE1 3.27Å
291E87.7Confident86.7Confident134 Ų13455.9 Ų55.963%0.62624%0.244SC*.Hα-helixtrans-75.3-37.2176.9-67.5172.8-170.200110.4K288 I289 K294 K295K288-E291 PolarHBondContact O-N 3.44Å; K288-E291 VanDerWaalsContact O-N 3.1Å; I289-E291 PolarHBondContact O-N 2.94Å; E291-K294 PolarHBondContact O-N 3.44Å; E291-K295 PolarHBondContact O-N 3.46Å
292Q87.1Confident86.6Confident30 Ų3060.8 Ų60.814%0.1426%0.263CS..Hα-helixtrans-70.7-35.1-178.6-69.8161.1-21.600112.9L284 F285 N286 K288 I289 K294 K295 Y296L284-Q292 PolarHBondContact O-NE2 3Å; F285-Q292 HydrophobicContact CD1-CB 3.66Å; F285-Q292 HydrophobicContact CE1-CB 3.82Å; N286-Q292 VanDerWaalsContact CG-NE2 3.25Å; N286-Q292 PolarHBondContact OD1-NE2 3.4Å; N286-Q292 PolarHBondContact OD1-OE1 3.12Å; K288-Q292 PolarHBondContact O-N 3.05Å; K288-Q292 PolarHBondContact O-OE1 3.06Å; I289-Q292 PolarHBondContact O-N 2.78Å; Q292-K294 PolarHBondContact O-N 2.79Å; Q292-K295 PolarHBondContact O-N 3.46Å; Q292-Y296 HydrophobicContact CB-CD2 4.13Å; Q292-Y296 HydrophobicContact CB-CE2 4.39Å; Q292-Y296 HydrophobicContact CG-CE2 4.39Å; Q292-Y296 WeakPolarHBondContact O-CB 3.31Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.1Å; Q292-Y296 PolarHBondContact O-N 3.11Å
293I87.8Confident86.7Confident1 Ų157.4 Ų57.41%0.00525%0.247CC..Hα-helixtrans-57.1-43.4172.9-72160.8000110F285 I289 R297 I336 M340 A343 L345F285-I293 HydrophobicContact CE1-CG1 4.11Å; F285-I293 HydrophobicContact CE2-CG1 4.44Å; F285-I293 HydrophobicContact CZ-CG1 3.74Å; I289-I293 HydrophobicContact CG1-CD1 3.84Å; I289-I293 HydrophobicContact CG1-CG1 4.08Å; I289-I293 VanDerWaalsContact O-CG1 3.23Å; I289-I293 WeakPolarHBondContact O-CG1 3.26Å; I289-I293 PolarHBondContact O-N 2.82Å; I293-R297 WeakPolarHBondContact O-CA 3.43Å; I293-R297 WeakPolarHBondContact O-CB 3.37Å; I293-R297 PolarHBondContact O-N 3.47Å; I293-I336 HydrophobicContact CD1-CG2 3.87Å; I293-M340 HydrophobicContact CD1-CE 3.73Å; I293-M340 HydrophobicContact CD1-CG 3.8Å; I293-M340 HydrophobicContact CG1-CE 4.12Å; I293-M340 HydrophobicContact CG1-CG 4.37Å; I293-M340 HydrophobicContact CG2-CG 4.5Å; I293-A343 HydrophobicContact CG2-CB 4.43Å; I293-L345 HydrophobicContact CG2-CD1 4.15Å
294K88.1Confident86.6Confident144 Ų14457 Ų5763%0.62625%0.245SC*.Hα-helixtrans-68.6-42.6178.7-62.9177.6-1741770111.6E291 Q292 E339E291-K294 PolarHBondContact O-N 3.44Å; Q292-K294 PolarHBondContact O-N 2.79Å; K294-E339 IonicContact NZ-OE1 2.85Å
295K88.5Confident86.6Confident115 Ų11562.6 Ų62.650%0.527%0.27SS..Hα-helixtrans-65.1-46.9-180-166.2-173.9-176.6-142.30112.3D257 E291 Q292D257-K295 WeakPolarHBondContact OD1-CE 3.46Å; D257-K295 IonicContact OD1-NZ 2.67Å; D257-K295 PolarHBondContact OD1-NZ 3.5Å; D257-K295 WeakPolarHBondContact OD2-CE 3.41Å; D257-K295 IonicContact OD2-NZ 3.21Å; D257-K295 PolarHBondContact OD2-NZ 3.4Å; E291-K295 PolarHBondContact O-N 3.46Å; Q292-K295 PolarHBondContact O-N 3.46Å
296Y87.6Confident86.2Confident25 Ų2568 Ų6810%0.09830%0.3CS..THydrogen-bonded Turntrans-99.614.7-174.6-59.4-66.3000113.6I256 D257 L284 Q292 R298 H299 F300I256-Y296 HydrophobicContact CG2-CE1 4.16Å; D257-Y296 WeakPolarHBondContact OD1-CE1 3.39Å; L284-Y296 HydrophobicContact CB-CD2 4.12Å; L284-Y296 HydrophobicContact CB-CE2 4.19Å; L284-Y296 HydrophobicContact CD1-CD1 3.94Å; L284-Y296 HydrophobicContact CD1-CD2 4.06Å; L284-Y296 HydrophobicContact CD1-CE1 4.37Å; L284-Y296 HydrophobicContact CD1-CE2 4.47Å; L284-Y296 HydrophobicContact CD1-CG 3.79Å; L284-Y296 HydrophobicContact CD2-CD1 4.41Å; L284-Y296 HydrophobicContact CD2-CD2 4.4Å; L284-Y296 HydrophobicContact CD2-CE1 4Å; L284-Y296 HydrophobicContact CD2-CE2 3.98Å; L284-Y296 HydrophobicContact CG-CD2 4.45Å; L284-Y296 HydrophobicContact CG-CE2 4.47Å; Q292-Y296 HydrophobicContact CB-CD2 4.13Å; Q292-Y296 HydrophobicContact CB-CE2 4.39Å; Q292-Y296 HydrophobicContact CG-CE2 4.39Å; Q292-Y296 WeakPolarHBondContact O-CB 3.31Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.1Å; Q292-Y296 PolarHBondContact O-N 3.11Å; Y296-R298 PolarHBondContact O-N 2.79Å; Y296-R298 VanDerWaalsContact O-N 3.1Å; Y296-H299 AromaticContact CD1-CE1 3.96Å; Y296-H299 AromaticContact CD1-ND1 3.9Å; Y296-H299 WeakPolarHBondContact O-CB 3.42Å; Y296-H299 PolarHBondContact O-N 2.92Å; Y296-F300 WeakPolarHBondContact O-CD2 3.24Å; Y296-F300 PolarHBondContact O-N 3.39Å
297R88.3Confident86.2Confident93 Ų9367.6 Ų67.635%0.35130%0.297SS..Hα-helixtrans-48.6-43.5178.9178.7178.4176.9-103.84.4111.6I293 H299 F300 L301 A343 D344 L345I293-R297 WeakPolarHBondContact O-CA 3.43Å; I293-R297 WeakPolarHBondContact O-CB 3.37Å; I293-R297 PolarHBondContact O-N 3.47Å; R297-H299 VanDerWaalsContact C-N 3.33Å; R297-H299 PolarHBondContact O-N 2.79Å; R297-F300 PolarHBondContact O-N 2.99Å; R297-L301 WeakPolarHBondContact O-CB 3.33Å; R297-L301 PolarHBondContact O-N 3.35Å; R297-A343 HydrophobicContact CG-CB 4.25Å; R297-A343 PolarHBondContact NE-O 3.16Å; R297-A343 PolarHBondContact NH2-O 3.19Å; R297-D344 IonicContact CZ-OD2 3.11Å; R297-D344 IonicContact NH2-OD2 2.65Å; R297-D344 PolarHBondContact NH2-OD2 3.45Å; R297-L345 HydrophobicContact CG-CD2 4.45Å
298R88.3Confident86.6Confident125 Ų12568 Ų6847%0.47230%0.298SS..Hα-helixtrans-62.2-39.6-177.6-168.1170.571.1-115.1-4.1112.3D257 D260 Y296 R302D257-R298 PolarHBondContact O-NH2 2.99Å; D260-R298 VanDerWaalsContact CG-NE 3.32Å; D260-R298 IonicContact OD1-CZ 2.95Å; D260-R298 IonicContact OD1-NE 2.76Å; D260-R298 PolarHBondContact OD1-NE 3.04Å; D260-R298 VanDerWaalsContact OD1-NE 3.17Å; D260-R298 IonicContact OD1-NH2 2.79Å; D260-R298 PolarHBondContact OD1-NH2 2.8Å; D260-R298 IonicContact OD2-NE 3.05Å; D260-R298 PolarHBondContact OD2-NE 2.79Å; Y296-R298 PolarHBondContact O-N 2.79Å; Y296-R298 VanDerWaalsContact O-N 3.1Å; R298-R302 WeakPolarHBondContact O-CG 3.26Å; R298-R302 PolarHBondContact O-N 3.14Å
299H88.2Confident86.6Confident4 Ų465.3 Ų65.32%0.01929%0.286CS..Hα-helixtrans-63.6-51.3178.4-58.767.8000110.8I256 L280 Y296 R297 R302 F303I256-H299 PolarHBondContact O-NE2 2.76Å; L280-H299 HydrophobicContact CD1-CB 4.3Å; Y296-H299 AromaticContact CD1-CE1 3.96Å; Y296-H299 AromaticContact CD1-ND1 3.9Å; Y296-H299 WeakPolarHBondContact O-CB 3.42Å; Y296-H299 PolarHBondContact O-N 2.92Å; R297-H299 VanDerWaalsContact C-N 3.33Å; R297-H299 PolarHBondContact O-N 2.79Å; H299-R302 PolarHBondContact O-N 3.09Å; H299-F303 VanDerWaalsContact O-CD2 3.27Å; H299-F303 WeakPolarHBondContact O-CD2 3.38Å
300F89Confident86.8Confident0 Ų065.3 Ų65.30%029%0.286CS..Hα-helixtrans-66.3-40.4179.2-71.6-79.4000112.4P277 L280 T281 L284 F285 Y296 R297 R302 F303 C304 L314 L345P277-F300 HydrophobicContact CB-CD1 4.23Å; P277-F300 HydrophobicContact CB-CE1 4.39Å; L280-F300 HydrophobicContact CB-CD1 4.38Å; L280-F300 HydrophobicContact CB-CE1 3.53Å; L280-F300 HydrophobicContact CB-CE2 4.43Å; L280-F300 HydrophobicContact CB-CZ 3.56Å; L280-F300 HydrophobicContact CD1-CD1 4.18Å; L280-F300 HydrophobicContact CD1-CE1 4.13Å; L280-F300 HydrophobicContact CD1-CZ 4.47Å; T281-F300 HydrophobicContact CG2-CE1 3.8Å; T281-F300 HydrophobicContact CG2-CZ 4.04Å; L284-F300 HydrophobicContact CD1-CE2 4.43Å; F285-F300 HydrophobicContact CD2-CZ 4.43Å; F285-F300 AromaticContact CE1-CE2 3.68Å; F285-F300 HydrophobicContact CE1-CE2 3.68Å; F285-F300 AromaticContact CE1-CZ 4Å; F285-F300 HydrophobicContact CE1-CZ 4Å; F285-F300 HydrophobicContact CE2-CE1 4.3Å; F285-F300 HydrophobicContact CE2-CE2 4.05Å; F285-F300 AromaticContact CE2-CZ 3.64Å; F285-F300 HydrophobicContact CE2-CZ 3.64Å; F285-F300 HydrophobicContact CZ-CD2 4.13Å; F285-F300 HydrophobicContact CZ-CE1 4.3Å; F285-F300 AromaticContact CZ-CE2 3.28Å; F285-F300 HydrophobicContact CZ-CE2 3.28Å; F285-F300 AromaticContact CZ-CZ 3.39Å; F285-F300 HydrophobicContact CZ-CZ 3.39Å; Y296-F300 WeakPolarHBondContact O-CD2 3.24Å; Y296-F300 PolarHBondContact O-N 3.39Å; R297-F300 PolarHBondContact O-N 2.99Å; F300-R302 VanDerWaalsContact C-N 3.26Å; F300-R302 PolarHBondContact O-N 3.27Å; F300-F303 PolarHBondContact O-N 3.02Å; F300-C304 WeakPolarHBondContact O-CB 3.38Å; F300-C304 PolarHBondContact O-N 2.99Å; F300-C304 PolarHBondContact O-SG 3.21Å; F300-C304 VanDerWaalsContact O-SG 3.41Å; F300-L314 HydrophobicContact CD1-CD1 3.71Å; F300-L314 HydrophobicContact CD1-CD2 4.48Å; F300-L314 HydrophobicContact CE1-CD1 3.63Å; F300-L345 HydrophobicContact CB-CD1 3.94Å; F300-L345 HydrophobicContact CB-CD2 3.62Å; F300-L345 HydrophobicContact CB-CG 4.37Å; F300-L345 HydrophobicContact CG-CD1 4.45Å
301L89.4Confident87Confident46 Ų4660.5 Ų60.524%0.24127%0.268CS..Hα-helixtrans-60.5-35.2-178.7-170.766.8000112.1R297 F303 H305 D344 L345R297-L301 WeakPolarHBondContact O-CB 3.33Å; R297-L301 PolarHBondContact O-N 3.35Å; L301-F303 VanDerWaalsContact C-N 3.25Å; L301-F303 PolarHBondContact O-N 3Å; L301-H305 WeakPolarHBondContact O-CB 3.34Å; L301-H305 PolarHBondContact O-N 2.87Å; L301-D344 HydrophobicContact CD1-CB 4.21Å; L301-D344 WeakPolarHBondContact CD1-O 3.27Å; L301-L345 HydrophobicContact CB-CD2 4.13Å; L301-L345 HydrophobicContact CD1-CD2 4.4Å
302R86.9Confident86.9Confident104 Ų10457.2 Ų57.239%0.39225%0.25SS..Hα-helixtrans-63.9-29.2175.6-72.8-172.8-174.4-75.1-3.9113.7D260 V264 R298 H299 F300D260-R302 IonicContact OD2-CZ 2.75Å; D260-R302 VanDerWaalsContact OD2-CZ 3.24Å; D260-R302 IonicContact OD2-NE 3.04Å; D260-R302 PolarHBondContact OD2-NE 2.72Å; D260-R302 IonicContact OD2-NH2 3.47Å; D260-R302 PolarHBondContact OD2-NH2 2.7Å; V264-R302 HydrophobicContact CG2-CB 3.74Å; R298-R302 WeakPolarHBondContact O-CG 3.26Å; R298-R302 PolarHBondContact O-N 3.14Å; H299-R302 PolarHBondContact O-N 3.09Å; F300-R302 VanDerWaalsContact C-N 3.26Å; F300-R302 PolarHBondContact O-N 3.27Å
303F86.6Confident87Confident3 Ų357.5 Ų57.51%0.01325%0.25CC..Hα-helixtrans-88.2-40.4177.7-73.6-74000112.3I263 V264 A267 K273 P277 L280 H299 F300 L301 A310I263-F303 HydrophobicContact CG2-CE2 4.14Å; I263-F303 HydrophobicContact CG2-CZ 3.99Å; V264-F303 HydrophobicContact CB-CE1 4.42Å; V264-F303 HydrophobicContact CB-CZ 4.11Å; V264-F303 HydrophobicContact CG2-CD1 4.46Å; V264-F303 HydrophobicContact CG2-CD2 4.14Å; V264-F303 HydrophobicContact CG2-CE1 3.95Å; V264-F303 HydrophobicContact CG2-CE2 3.56Å; V264-F303 HydrophobicContact CG2-CZ 3.46Å; V264-F303 VanDerWaalsContact CG2-CZ 3.46Å; A267-F303 HydrophobicContact CB-CE1 3.71Å; A267-F303 HydrophobicContact CB-CZ 4.06Å; K273-F303 HydrophobicContact CG-CD1 4.16Å; K273-F303 HydrophobicContact CG-CE1 4.36Å; K273-F303 WeakPolarHBondContact O-CD1 3.49Å; P277-F303 HydrophobicContact CG-CB 3.66Å; P277-F303 HydrophobicContact CG-CG 4.31Å; L280-F303 HydrophobicContact CD1-CD2 3.64Å; L280-F303 HydrophobicContact CD1-CE2 3.67Å; H299-F303 VanDerWaalsContact O-CD2 3.27Å; H299-F303 WeakPolarHBondContact O-CD2 3.38Å; F300-F303 PolarHBondContact O-N 3.02Å; L301-F303 VanDerWaalsContact C-N 3.25Å; L301-F303 PolarHBondContact O-N 3Å; F303-A310 WeakPolarHBondContact O-CB 3.47Å
304C84.8Confident87.1Confident0 Ų057.4 Ų57.40%025%0.25CC..Hα-helixtrans-85.5-19.1-171.2-65.20000113.8F300 N306 N307 Q311 L345F300-C304 WeakPolarHBondContact O-CB 3.38Å; F300-C304 PolarHBondContact O-N 2.99Å; F300-C304 PolarHBondContact O-SG 3.21Å; F300-C304 VanDerWaalsContact O-SG 3.41Å; C304-N306 PolarHBondContact O-N 3.24Å; C304-N307 PolarHBondContact O-N 3.46Å; C304-Q311 HydrophobicContact CB-CG 3.94Å; C304-Q311 PolarHBondContact O-NE2 3.03Å; C304-L345 WeakPolarHBondContact CB-O 3.44Å
305H84.5Confident87.2Confident124 Ų12450.6 Ų50.657%0.57422%0.22SC*.THydrogen-bonded Turntrans-62.6119.5-178.8-173.562.2000111.8L301 N307L301-H305 WeakPolarHBondContact O-CB 3.34Å; L301-H305 PolarHBondContact O-N 2.87Å; H305-N307 PolarHBondContact O-N 3.02Å; H305-N307 VanDerWaalsContact O-N 3.16Å
306N78Confident87.1Confident128 Ų12846.3 Ų46.368%0.68420%0.202SC*.THydrogen-bonded Turntrans56.420.6-176.9-55.8-29.3000114.8C304C304-N306 PolarHBondContact O-N 3.24Å
307N85.9Confident87Confident41 Ų4145.1 Ų45.122%0.21920%0.197CC..  trans-126.690.8-178.1-169.6-18.5000111.9C304 H305 K309 A310 Q311C304-N307 PolarHBondContact O-N 3.46Å; H305-N307 PolarHBondContact O-N 3.02Å; H305-N307 VanDerWaalsContact O-N 3.16Å; N307-K309 PolarHBondContact O-N 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.38Å; N307-K309 PolarHBondContact OD1-N 3.34Å; N307-K309 VanDerWaalsContact OD1-N 3.11Å; N307-A310 HydrophobicContact CB-CB 3.98Å; N307-A310 PolarHBondContact O-N 3.43Å; N307-A310 PolarHBondContact OD1-N 3.43Å; N307-A310 VanDerWaalsContact OD1-N 3.09Å; N307-Q311 WeakPolarHBondContact O-CG 3.37Å; N307-Q311 PolarHBondContact O-N 3.42Å; N307-Q311 VanDerWaalsContact O-N 3.13Å
308K87.3Confident87Confident92 Ų9240.9 Ų40.940%0.418%0.181SC..Hα-helixtrans-58.4-32.9177.9-57.8177.6-179.5-158.40112.8Q311 R312 E349 V350K308-Q311 PolarHBondContact O-N 2.89Å; K308-R312 WeakPolarHBondContact O-CG 3.44Å; K308-R312 PolarHBondContact O-N 3.48Å; K308-R312 VanDerWaalsContact O-N 3.1Å; K308-E349 WeakPolarHBondContact CD-OE1 3.37Å; K308-E349 WeakPolarHBondContact CE-OE1 3.43Å; K308-E349 IonicContact NZ-OE1 2.79Å; K308-E349 PolarHBondContact NZ-OE1 3.04Å; K308-E349 IonicContact NZ-OE2 2.82Å; K308-E349 PolarHBondContact NZ-OE2 3.03Å; K308-V350 HydrophobicContact CB-CG2 4.01Å; K308-V350 HydrophobicContact CG-CG2 4.13Å
309K85.9Confident86.9Confident58 Ų5835 Ų3525%0.25216%0.159SC..Hα-helixtrans-67.3-45.6178.6-166.7177.5-178.6175.50110.7A274 N307 Q311 R312 Y313 D398A274-K309 HydrophobicContact CB-CB 4.26Å; A274-K309 HydrophobicContact CB-CD 3.84Å; A274-K309 HydrophobicContact CB-CG 3.86Å; N307-K309 PolarHBondContact O-N 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.38Å; N307-K309 PolarHBondContact OD1-N 3.34Å; N307-K309 VanDerWaalsContact OD1-N 3.11Å; K309-Q311 VanDerWaalsContact C-N 3.33Å; K309-Q311 PolarHBondContact O-N 3.4Å; K309-R312 WeakPolarHBondContact O-CB 3.46Å; K309-R312 PolarHBondContact O-N 2.99Å; K309-Y313 HydrophobicContact CD-CE2 4.48Å; K309-Y313 HydrophobicContact CG-CD2 4.26Å; K309-Y313 HydrophobicContact CG-CE2 3.79Å; K309-Y313 WeakPolarHBondContact O-CD2 3.37Å; K309-Y313 PolarHBondContact O-N 3.38Å; K309-Y313 VanDerWaalsContact O-N 3.16Å; K309-D398 IonicContact NZ-OD2 2.91Å; K309-D398 PolarHBondContact NZ-OD2 3.02Å
310A87.7Confident86.7Confident0 Ų036.4 Ų36.40%017%0.169CC..Hα-helixtrans-62.9-38175.900000112.6A274 P277 F303 N307 R312 Y313 L314A274-A310 WeakPolarHBondContact O-CA 3.48Å; P277-A310 HydrophobicContact CG-CB 3.97Å; F303-A310 WeakPolarHBondContact O-CB 3.47Å; N307-A310 HydrophobicContact CB-CB 3.98Å; N307-A310 PolarHBondContact O-N 3.43Å; N307-A310 PolarHBondContact OD1-N 3.43Å; N307-A310 VanDerWaalsContact OD1-N 3.09Å; A310-R312 PolarHBondContact O-N 3.12Å; A310-Y313 PolarHBondContact O-N 3.37Å; A310-L314 PolarHBondContact O-N 3.05Å
311Q88.8Confident86.6Confident3 Ų336.8 Ų36.81%0.01417%0.171CC..Hα-helixtrans-63.3-38.2174.6-65.4176.922.700112.4C304 N307 K308 K309 L314 L315 L345 L346 E347 V350C304-Q311 HydrophobicContact CB-CG 3.94Å; C304-Q311 PolarHBondContact O-NE2 3.03Å; N307-Q311 WeakPolarHBondContact O-CG 3.37Å; N307-Q311 PolarHBondContact O-N 3.42Å; N307-Q311 VanDerWaalsContact O-N 3.13Å; K308-Q311 PolarHBondContact O-N 2.89Å; K309-Q311 VanDerWaalsContact C-N 3.33Å; K309-Q311 PolarHBondContact O-N 3.4Å; Q311-L314 WeakPolarHBondContact O-CB 3.41Å; Q311-L314 PolarHBondContact O-N 3.4Å; Q311-L315 PolarHBondContact O-N 3.27Å; Q311-L315 VanDerWaalsContact O-N 3.1Å; Q311-L345 WeakPolarHBondContact CG-O 3.3Å; Q311-L346 HydrophobicContact CB-CD2 3.89Å; Q311-L346 HydrophobicContact CG-CD2 4.42Å; Q311-L346 WeakPolarHBondContact O-CD2 3.21Å; Q311-E347 PolarHBondContact NE2-OE1 3.14Å; Q311-V350 HydrophobicContact CB-CG1 3.94Å; Q311-V350 HydrophobicContact CB-CG2 4.46Å
312R87.3Confident86.4Confident66 Ų6634.6 Ų34.625%0.24916%0.16CC..Hα-helixtrans-62.9-42.3172.2-69.3-171.3-63.8-95.115.9112.2K308 K309 A310 L314 L315 H316 V350K308-R312 WeakPolarHBondContact O-CG 3.44Å; K308-R312 PolarHBondContact O-N 3.48Å; K308-R312 VanDerWaalsContact O-N 3.1Å; K309-R312 WeakPolarHBondContact O-CB 3.46Å; K309-R312 PolarHBondContact O-N 2.99Å; A310-R312 PolarHBondContact O-N 3.12Å; R312-L314 VanDerWaalsContact C-N 3.3Å; R312-L314 PolarHBondContact O-N 3.08Å; R312-L315 WeakPolarHBondContact O-CB 3.15Å; R312-L315 PolarHBondContact O-N 2.96Å; R312-H316 PolarHBondContact O-CD2 3.26Å; R312-H316 PolarHBondContact O-N 3.29Å; R312-V350 HydrophobicContact CG-CG1 3.75Å
313Y89Confident86.2Confident35 Ų3530.9 Ų30.914%0.13715%0.151CC..Hα-helixtrans-65.9-31.9175.3-75.5-65.6000113.1A274 M275 L278 K309 A310 H316 G317A274-Y313 HydrophobicContact CB-CD2 4.15Å; A274-Y313 HydrophobicContact CB-CE2 4.2Å; A274-Y313 WeakPolarHBondContact O-CB 3.3Å; A274-Y313 WeakPolarHBondContact O-CD2 3.14Å; M275-Y313 HydrophobicContact CE-CD2 4.11Å; M275-Y313 HydrophobicContact CE-CE1 4.09Å; M275-Y313 HydrophobicContact CE-CE2 3.28Å; M275-Y313 VanDerWaalsContact CE-OH 3.24Å; M275-Y313 WeakPolarHBondContact CE-OH 3.4Å; M275-Y313 HydrophobicContact SD-CD1 3.63Å; M275-Y313 HydrophobicContact SD-CD2 3.68Å; M275-Y313 HydrophobicContact SD-CE1 3.26Å; M275-Y313 WeakPolarHBondContact SD-CE1 3.5Å; M275-Y313 HydrophobicContact SD-CE2 3.31Å; M275-Y313 WeakPolarHBondContact SD-CE2 3.31Å; M275-Y313 HydrophobicContact SD-CG 3.85Å; L278-Y313 HydrophobicContact CD2-CD1 4.39Å; K309-Y313 HydrophobicContact CD-CE2 4.48Å; K309-Y313 HydrophobicContact CG-CD2 4.26Å; K309-Y313 HydrophobicContact CG-CE2 3.79Å; K309-Y313 WeakPolarHBondContact O-CD2 3.37Å; K309-Y313 PolarHBondContact O-N 3.38Å; K309-Y313 VanDerWaalsContact O-N 3.16Å; A310-Y313 PolarHBondContact O-N 3.37Å; Y313-H316 PolarHBondContact O-N 3.31Å; Y313-G317 PolarHBondContact O-N 3.48Å
314L90Very high85.9Confident0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-63-41.9171179.357.5000111.8P277 T281 F300 A310 Q311 R312 G317 L318 L345 L346P277-L314 HydrophobicContact CB-CB 3.8Å; P277-L314 HydrophobicContact CB-CD1 4.28Å; T281-L314 HydrophobicContact CG2-CD1 3.47Å; T281-L314 VanDerWaalsContact CG2-CD1 3.47Å; F300-L314 HydrophobicContact CD1-CD1 3.71Å; F300-L314 HydrophobicContact CD1-CD2 4.48Å; F300-L314 HydrophobicContact CE1-CD1 3.63Å; A310-L314 PolarHBondContact O-N 3.05Å; Q311-L314 WeakPolarHBondContact O-CB 3.41Å; Q311-L314 PolarHBondContact O-N 3.4Å; R312-L314 VanDerWaalsContact C-N 3.3Å; R312-L314 PolarHBondContact O-N 3.08Å; L314-G317 PolarHBondContact O-N 3.39Å; L314-L318 PolarHBondContact O-N 2.86Å; L314-L345 HydrophobicContact CD2-CB 3.93Å; L314-L346 HydrophobicContact CB-CD2 4.4Å; L314-L346 HydrophobicContact CD2-CD2 3.95Å; L314-L346 HydrophobicContact CD2-CG 4.22Å; L314-L346 HydrophobicContact CG-CD2 4.35Å
315L88.9Confident85.8Confident0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-64.6-40.3175.4-71.6169.6000112Q311 R312 G317 L318 E319 L337 L346 V350 W354Q311-L315 PolarHBondContact O-N 3.27Å; Q311-L315 VanDerWaalsContact O-N 3.1Å; R312-L315 WeakPolarHBondContact O-CB 3.15Å; R312-L315 PolarHBondContact O-N 2.96Å; L315-G317 VanDerWaalsContact C-N 3.34Å; L315-L318 WeakPolarHBondContact O-CB 2.82Å; L315-L318 PolarHBondContact O-N 2.9Å; L315-E319 PolarHBondContact O-N 2.98Å; L315-L337 HydrophobicContact CD2-CD2 3.84Å; L315-L346 HydrophobicContact CD1-CD2 4.34Å; L315-L346 HydrophobicContact CD2-CD1 3.64Å; L315-L346 HydrophobicContact CD2-CD2 4.26Å; L315-L346 HydrophobicContact CG-CD1 4.23Å; L315-L346 HydrophobicContact CG-CD2 3.91Å; L315-V350 HydrophobicContact CD1-CG1 4.05Å; L315-W354 HydrophobicContact CB-CD2 4.5Å; L315-W354 HydrophobicContact CB-CG 4.26Å; L315-W354 HydrophobicContact CD1-CB 3.61Å; L315-W354 HydrophobicContact CD1-CD2 4.11Å; L315-W354 HydrophobicContact CD1-CG 3.66Å; L315-W354 HydrophobicContact CD2-CD2 4.43Å; L315-W354 HydrophobicContact CG-CG 4.44Å
316H86.4Confident85.4Confident25 Ų2538.3 Ų38.312%0.11619%0.188CC..Hα-helixtrans-64.7-39172.3-67.4-40.2000112.2R312 Y313 L318 E319 C320 Y362R312-H316 PolarHBondContact O-CD2 3.26Å; R312-H316 PolarHBondContact O-N 3.29Å; Y313-H316 PolarHBondContact O-N 3.31Å; H316-L318 VanDerWaalsContact C-N 3.32Å; H316-L318 PolarHBondContact O-N 3.49Å; H316-E319 IonicContact CE1-OE2 2.72Å; H316-E319 IonicContact CG-OE2 3.51Å; H316-E319 IonicContact ND1-OE2 3.46Å; H316-E319 PolarHBondContact ND1-OE2 3.34Å; H316-E319 WeakPolarHBondContact O-CB 3.2Å; H316-E319 PolarHBondContact O-N 3.04Å; H316-C320 PolarHBondContact O-N 3.36Å; H316-C320 PolarHBondContact O-SG 2.73Å; H316-C320 VanDerWaalsContact O-SG 3.39Å; H316-Y362 HydrophobicContact CB-CD2 3.96Å; H316-Y362 HydrophobicContact CB-CE2 4.07Å; H316-Y362 HydrophobicContact CB-CG 4.22Å; H316-Y362 AromaticContact CD2-CE2 3.56Å; H316-Y362 AromaticContact CG-CD2 3.6Å; H316-Y362 AromaticContact CG-CE2 3.59Å; H316-Y362 AromaticContact ND1-CD2 3.61Å; H316-Y362 AromaticContact ND1-CE2 3.95Å; H316-Y362 AromaticContact NE2-CE2 3.91Å
317G86.6Confident85.4Confident0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-59.1-41.8171.900000113T281 Y313 L314 L315 C320 V321T281-G317 WeakPolarHBondContact OG1-CA 3.44Å; Y313-G317 PolarHBondContact O-N 3.48Å; L314-G317 PolarHBondContact O-N 3.39Å; L315-G317 VanDerWaalsContact C-N 3.34Å; G317-C320 WeakPolarHBondContact O-CB 3.22Å; G317-C320 PolarHBondContact O-N 3.5Å; G317-V321 VanDerWaalsContact O-CG2 3.32Å; G317-V321 WeakPolarHBondContact O-CG2 3.24Å; G317-V321 PolarHBondContact O-N 3.37Å
318L87.8Confident85.2Confident5 Ų539 Ų393%0.02620%0.201CC..Hα-helixtrans-61.5-44.1172.9177.964.6000111.9I289 L314 L315 H316 C320 V321 V322 I336 L337 M340I289-L318 HydrophobicContact CD1-CD1 3.62Å; L314-L318 PolarHBondContact O-N 2.86Å; L315-L318 WeakPolarHBondContact O-CB 2.82Å; L315-L318 PolarHBondContact O-N 2.9Å; H316-L318 VanDerWaalsContact C-N 3.32Å; H316-L318 PolarHBondContact O-N 3.49Å; L318-C320 VanDerWaalsContact C-N 3.31Å; L318-C320 PolarHBondContact O-N 3.1Å; L318-V321 PolarHBondContact O-N 2.6Å; L318-V322 HydrophobicContact CD1-CG2 4.21Å; L318-V322 HydrophobicContact CG-CG2 4.46Å; L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.22Å; L318-V322 PolarHBondContact O-N 2.91Å; L318-I336 HydrophobicContact CD1-CG2 3.82Å; L318-I336 HydrophobicContact CD2-CG2 4.35Å; L318-L337 HydrophobicContact CD2-CD2 3.71Å; L318-L337 HydrophobicContact CD2-CG 4.35Å; L318-M340 HydrophobicContact CD1-CE 4.19Å; L318-M340 HydrophobicContact CD2-SD 4.37Å
319E85.9Confident84.9Confident2 Ų234.7 Ų34.71%0.00918%0.182CC..Hα-helixtrans-57.2-44.1175.1-69.5174.3148.300111.1L315 H316 V322 A323 W354 V363 I371 R372L315-E319 PolarHBondContact O-N 2.98Å; H316-E319 IonicContact CE1-OE2 2.72Å; H316-E319 IonicContact CG-OE2 3.51Å; H316-E319 IonicContact ND1-OE2 3.46Å; H316-E319 PolarHBondContact ND1-OE2 3.34Å; H316-E319 WeakPolarHBondContact O-CB 3.2Å; H316-E319 PolarHBondContact O-N 3.04Å; E319-V322 PolarHBondContact O-N 3.01Å; E319-A323 WeakPolarHBondContact O-CB 3.24Å; E319-A323 PolarHBondContact O-N 3.02Å; E319-W354 HydrophobicContact CG-CZ2 4.08Å; E319-W354 WeakPolarHBondContact OE1-CZ2 3.3Å; E319-W354 PolarHBondContact OE1-NE1 3.23Å; E319-V363 HydrophobicContact CB-CG1 3.96Å; E319-V363 HydrophobicContact CB-CG2 4.21Å; E319-V363 WeakPolarHBondContact O-CG1 3.45Å; E319-I371 HydrophobicContact CB-CD1 4.32Å; E319-I371 HydrophobicContact CG-CD1 4.18Å; E319-R372 IonicContact OE1-CZ 3.24Å; E319-R372 IonicContact OE1-NH1 2.71Å; E319-R372 IonicContact OE1-NH2 2.88Å; E319-R372 PolarHBondContact OE1-NH2 3.33Å; E319-R372 VanDerWaalsContact OE1-NH2 3.09Å
320C83.7Confident84.7Confident33 Ų3333.1 Ų33.122%0.22318%0.176CC..Hα-helixtrans-62.3-45.3176.4-69.40000112.7H316 G317 L318 V322 A323 M324H316-C320 PolarHBondContact O-N 3.36Å; H316-C320 PolarHBondContact O-SG 2.73Å; H316-C320 VanDerWaalsContact O-SG 3.39Å; G317-C320 WeakPolarHBondContact O-CB 3.22Å; G317-C320 PolarHBondContact O-N 3.5Å; L318-C320 VanDerWaalsContact C-N 3.31Å; L318-C320 PolarHBondContact O-N 3.1Å; C320-V322 PolarHBondContact O-N 3.14Å; C320-A323 WeakPolarHBondContact O-CB 3.34Å; C320-A323 PolarHBondContact O-N 3.03Å; C320-A323 VanDerWaalsContact O-N 3.15Å; C320-M324 PolarHBondContact O-N 3.27Å; C320-M324 VanDerWaalsContact O-N 3.11Å
321V86.3Confident84.6Confident8 Ų836.8 Ų36.85%0.04820%0.201CC..Hα-helixtrans-65.3-40178.5176.10000111.1F285 I289 G317 L318 A323 M324 H325 L329F285-V321 HydrophobicContact CB-CG1 4.25Å; F285-V321 HydrophobicContact CB-CG2 3.99Å; I289-V321 HydrophobicContact CD1-CG1 4.38Å; G317-V321 VanDerWaalsContact O-CG2 3.32Å; G317-V321 WeakPolarHBondContact O-CG2 3.24Å; G317-V321 PolarHBondContact O-N 3.37Å; L318-V321 PolarHBondContact O-N 2.6Å; V321-A323 VanDerWaalsContact C-N 3.3Å; V321-A323 PolarHBondContact O-N 2.98Å; V321-M324 PolarHBondContact O-N 2.88Å; V321-H325 PolarHBondContact O-N 2.8Å; V321-L329 HydrophobicContact CG1-CD1 3.73Å
322V85.3Confident84.6Confident0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-64-37.4173.71740000110.9L318 E319 C320 M324 H325 Q326 L329 I330 I333 I371L318-V322 HydrophobicContact CD1-CG2 4.21Å; L318-V322 HydrophobicContact CG-CG2 4.46Å; L318-V322 VanDerWaalsContact O-CG2 3.28Å; L318-V322 WeakPolarHBondContact O-CG2 3.22Å; L318-V322 PolarHBondContact O-N 2.91Å; E319-V322 PolarHBondContact O-N 3.01Å; C320-V322 PolarHBondContact O-N 3.14Å; V322-M324 VanDerWaalsContact C-N 3.28Å; V322-M324 PolarHBondContact O-N 2.91Å; V322-H325 CarbonylContact O-C 3.58Å; V322-H325 PolarHBondContact O-N 2.81Å; V322-Q326 VanDerWaalsContact O-CA 3.26Å; V322-Q326 WeakPolarHBondContact O-CA 3.46Å; V322-Q326 WeakPolarHBondContact O-CG 3.45Å; V322-Q326 PolarHBondContact O-N 2.72Å; V322-L329 HydrophobicContact CG2-CB 4.11Å; V322-L329 HydrophobicContact CG2-CD1 4.44Å; V322-I330 HydrophobicContact CG1-CD1 4.31Å; V322-I333 HydrophobicContact CG1-CD1 4.29Å; V322-I333 HydrophobicContact CG2-CD1 4.48Å; V322-I333 HydrophobicContact CG2-CG1 4.3Å; V322-I371 HydrophobicContact CB-CD1 4.11Å; V322-I371 HydrophobicContact CG1-CD1 3.85Å; V322-I371 HydrophobicContact CG1-CG1 3.93Å
323A83.4Confident84.6Confident26 Ų2637.5 Ų37.522%0.21521%0.207CC..Hα-helixtrans-63.4-32.3175.700000113.3E319 C320 V321 V363 L367E319-A323 WeakPolarHBondContact O-CB 3.24Å; E319-A323 PolarHBondContact O-N 3.02Å; C320-A323 WeakPolarHBondContact O-CB 3.34Å; C320-A323 PolarHBondContact O-N 3.03Å; C320-A323 VanDerWaalsContact O-N 3.15Å; V321-A323 VanDerWaalsContact C-N 3.3Å; V321-A323 PolarHBondContact O-N 2.98Å; A323-V363 HydrophobicContact CB-CG1 3.82Å; A323-L367 HydrophobicContact CB-CD2 3.51Å
324M81.6Confident84.5Confident138 Ų13837 Ų3768%0.6821%0.208SC*.Hα-helixtrans-75.9-33.5174.4-65.7-63-154.100112.7C320 V321 V322C320-M324 PolarHBondContact O-N 3.27Å; C320-M324 VanDerWaalsContact O-N 3.11Å; V321-M324 PolarHBondContact O-N 2.88Å; V322-M324 VanDerWaalsContact C-N 3.28Å; V322-M324 PolarHBondContact O-N 2.91Å
325H82.3Confident84.5Confident55 Ų5542 Ų4226%0.25523%0.231SC..SBendtrans-127.248.7-172.5-56.5-68.1000113.3V321 V322 A327 Q328 L329V321-H325 PolarHBondContact O-N 2.8Å; V322-H325 CarbonylContact O-C 3.58Å; V322-H325 PolarHBondContact O-N 2.81Å; H325-A327 VanDerWaalsContact C-N 3.33Å; H325-A327 PolarHBondContact O-N 2.83Å; H325-Q328 PolarHBondContact O-N 3.27Å; H325-Q328 PolarHBondContact O-OE1 2.7Å; H325-L329 HydrophobicContact CB-CD1 3.79Å; H325-L329 HydrophobicContact CB-CG 3.97Å; H325-L329 WeakPolarHBondContact O-CB 3.33Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.09Å
326Q76.3Confident84.5Confident89 Ų8942 Ų4242%0.41623%0.231SC..Hα-helixtrans-54.9-45.7-172.8-65.7-179.5-2.300112.8V322 Q328 I330 L367V322-Q326 VanDerWaalsContact O-CA 3.26Å; V322-Q326 WeakPolarHBondContact O-CA 3.46Å; V322-Q326 WeakPolarHBondContact O-CG 3.45Å; V322-Q326 PolarHBondContact O-N 2.72Å; Q326-Q328 VanDerWaalsContact C-N 3.26Å; Q326-Q328 PolarHBondContact O-N 2.78Å; Q326-I330 VanDerWaalsContact O-CB 3.28Å; Q326-I330 WeakPolarHBondContact O-CB 3.39Å; Q326-I330 VanDerWaalsContact O-CG2 3.27Å; Q326-I330 WeakPolarHBondContact O-CG2 3.47Å; Q326-I330 PolarHBondContact O-N 2.77Å; Q326-L367 HydrophobicContact CG-CD1 3.97Å; Q326-L367 HydrophobicContact CG-CD2 4.44Å
327A77.9Confident84.6Confident87 Ų8740.9 Ų40.972%0.71923%0.225SC*.Hα-helixtrans-62.6-30.1-174.300000113.7H325H325-A327 VanDerWaalsContact C-N 3.33Å; H325-A327 PolarHBondContact O-N 2.83Å
328Q80.2Confident84.7Confident98 Ų9844.6 Ų44.646%0.45824%0.242SC..Hα-helixtrans-101.6-28.8-174.3-60.387.1-1100113.6H325 Q326H325-Q328 PolarHBondContact O-N 3.27Å; H325-Q328 PolarHBondContact O-OE1 2.7Å; Q326-Q328 VanDerWaalsContact C-N 3.26Å; Q326-Q328 PolarHBondContact O-N 2.78Å
329L81.6Confident84.8Confident1 Ų145.6 Ų45.61%0.00525%0.246CC..Hα-helixtrans-100.2-25.5-170.6-62.8-175.3000113.8I289 V321 V322 H325 S331 K332 I333 I336I289-L329 HydrophobicContact CG2-CD2 3.85Å; V321-L329 HydrophobicContact CG1-CD1 3.73Å; V322-L329 HydrophobicContact CG2-CB 4.11Å; V322-L329 HydrophobicContact CG2-CD1 4.44Å; H325-L329 HydrophobicContact CB-CD1 3.79Å; H325-L329 HydrophobicContact CB-CG 3.97Å; H325-L329 WeakPolarHBondContact O-CB 3.33Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.09Å; L329-S331 VanDerWaalsContact C-N 3.26Å; L329-S331 PolarHBondContact O-N 3.35Å; L329-K332 WeakPolarHBondContact O-CA 3.37Å; L329-K332 PolarHBondContact O-N 3.12Å; L329-I333 PolarHBondContact O-N 3.02Å; L329-I336 HydrophobicContact CD2-CD1 4.28Å
330I81.8Confident85Confident25 Ų2545.5 Ų45.513%0.12825%0.246CC..THydrogen-bonded Turntrans-58.1-36.3-174.5-160.964.2000113.3V322 Q326 K332 I333 L367 E370 I371 K374V322-I330 HydrophobicContact CG1-CD1 4.31Å; Q326-I330 VanDerWaalsContact O-CB 3.28Å; Q326-I330 WeakPolarHBondContact O-CB 3.39Å; Q326-I330 VanDerWaalsContact O-CG2 3.27Å; Q326-I330 WeakPolarHBondContact O-CG2 3.47Å; Q326-I330 PolarHBondContact O-N 2.77Å; I330-K332 VanDerWaalsContact C-N 3.32Å; I330-I333 HydrophobicContact CD1-CD1 3.71Å; I330-L367 HydrophobicContact CD1-CD1 4.39Å; I330-E370 HydrophobicContact CD1-CB 4.35Å; I330-E370 HydrophobicContact CD1-CG 3.84Å; I330-E370 HydrophobicContact CG1-CG 4.11Å; I330-E370 WeakPolarHBondContact CG1-OE1 3.33Å; I330-I371 HydrophobicContact CD1-CG1 4.24Å; I330-K374 HydrophobicContact CD1-CG 4.49Å; I330-K374 HydrophobicContact CG1-CG 4.32Å
331S86.7Confident85.3Confident76 Ų7647.3 Ų47.353%0.53125%0.248SC..THydrogen-bonded Turntrans-78.7-15.9177.858.40000113.4L329L329-S331 VanDerWaalsContact C-N 3.26Å; L329-S331 PolarHBondContact O-N 3.35Å
332K86.8Confident85.4Confident84 Ų8451.2 Ų51.237%0.36527%0.269SS..THydrogen-bonded Turntrans-103.4-6.1-173.9-63.2-179.8-175.8169.90113.7L329 I330 H335 I336L329-K332 WeakPolarHBondContact O-CA 3.37Å; L329-K332 PolarHBondContact O-N 3.12Å; I330-K332 VanDerWaalsContact C-N 3.32Å; K332-H335 WeakPolarHBondContact O-CA 3.33Å; K332-H335 WeakPolarHBondContact O-CB 3.38Å; K332-H335 PolarHBondContact O-N 2.96Å; K332-I336 HydrophobicContact CB-CD1 3.96Å; K332-I336 HydrophobicContact CB-CG1 4.35Å; K332-I336 WeakPolarHBondContact O-CG1 3.49Å; K332-I336 PolarHBondContact O-N 2.7Å
333I87.4Confident85.5Confident1 Ų151.7 Ų51.71%0.00527%0.273CS..Hα-helixtrans-45.8-52.5179.1-67.3168.6000113.7V322 L329 I330 H335 I336 L337 I371 K374 A375V322-I333 HydrophobicContact CG1-CD1 4.29Å; V322-I333 HydrophobicContact CG2-CD1 4.48Å; V322-I333 HydrophobicContact CG2-CG1 4.3Å; L329-I333 PolarHBondContact O-N 3.02Å; I330-I333 HydrophobicContact CD1-CD1 3.71Å; I333-H335 PolarHBondContact O-N 3.39Å; I333-I336 PolarHBondContact O-N 2.79Å; I333-I336 VanDerWaalsContact O-N 3.12Å; I333-L337 HydrophobicContact CG2-CD1 3.92Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.96Å; I333-I371 HydrophobicContact CD1-CB 4.11Å; I333-I371 HydrophobicContact CD1-CG1 3.8Å; I333-I371 HydrophobicContact CD1-CG2 4.13Å; I333-K374 HydrophobicContact CB-CB 4.35Å; I333-K374 HydrophobicContact CD1-CB 4.18Å; I333-A375 HydrophobicContact CG2-CB 4.25Å
334P88.5Confident85.8Confident25 Ų2555.4 Ų55.416%0.16229%0.289CS..Hα-helixtrans-63.9-33.2-177.924.3-34.1000112.1K338 K374 F378P334-K338 WeakPolarHBondContact O-CB 3.38Å; P334-K338 PolarHBondContact O-N 3Å; P334-K374 WeakPolarHBondContact CD-O 3.33Å; P334-F378 HydrophobicContact CB-CB 4.08Å
335H88.6Confident86.1Confident105 Ų10548.9 Ų48.949%0.48626%0.257SS..Hα-helixtrans-72.4-36.2175.8-55.5-52.2000112.2K332 I333 E339K332-H335 WeakPolarHBondContact O-CA 3.33Å; K332-H335 WeakPolarHBondContact O-CB 3.38Å; K332-H335 PolarHBondContact O-N 2.96Å; I333-H335 PolarHBondContact O-N 3.39Å; H335-E339 WeakPolarHBondContact O-CG 3.19Å; H335-E339 PolarHBondContact O-N 3.3Å
336I89.2Confident86.4Confident0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-67.5-46.5176.7-66.6162000110.2I289 R290 I293 L318 L329 K332 I333 K338 E339 M340I289-I336 HydrophobicContact CD1-CG2 4.21Å; I289-I336 HydrophobicContact CG2-CD1 3.56Å; I289-I336 HydrophobicContact CG2-CG1 3.92Å; R290-I336 HydrophobicContact CG-CG1 4.05Å; I293-I336 HydrophobicContact CD1-CG2 3.87Å; L318-I336 HydrophobicContact CD1-CG2 3.82Å; L318-I336 HydrophobicContact CD2-CG2 4.35Å; L329-I336 HydrophobicContact CD2-CD1 4.28Å; K332-I336 HydrophobicContact CB-CD1 3.96Å; K332-I336 HydrophobicContact CB-CG1 4.35Å; K332-I336 WeakPolarHBondContact O-CG1 3.49Å; K332-I336 PolarHBondContact O-N 2.7Å; I333-I336 PolarHBondContact O-N 2.79Å; I333-I336 VanDerWaalsContact O-N 3.12Å; I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 3.27Å; I336-E339 PolarHBondContact O-N 3.3Å; I336-E339 VanDerWaalsContact O-N 3.13Å; I336-M340 HydrophobicContact CG2-CE 3.92Å; I336-M340 HydrophobicContact CG2-CG 4.48Å; I336-M340 HydrophobicContact CG2-SD 4.33Å; I336-M340 WeakPolarHBondContact O-CG 3.44Å; I336-M340 PolarHBondContact O-N 2.87Å
337L89.6Confident87Confident0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-60.1-42.3176.1-71.1174.9000111.2L315 L318 I333 E339 M340 Y341 L346 W354 A375 F378L315-L337 HydrophobicContact CD2-CD2 3.84Å; L318-L337 HydrophobicContact CD2-CD2 3.71Å; L318-L337 HydrophobicContact CD2-CG 4.35Å; I333-L337 HydrophobicContact CG2-CD1 3.92Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.96Å; L337-E339 PolarHBondContact O-N 3.47Å; L337-M340 PolarHBondContact O-N 2.86Å; L337-Y341 WeakPolarHBondContact O-CB 2.95Å; L337-Y341 PolarHBondContact O-N 3.43Å; L337-L346 HydrophobicContact CD2-CD1 4.29Å; L337-W354 HydrophobicContact CD1-CZ3 4.45Å; L337-A375 HydrophobicContact CD1-CB 3.68Å; L337-F378 HydrophobicContact CB-CD1 3.64Å; L337-F378 HydrophobicContact CB-CE1 3.71Å; L337-F378 HydrophobicContact CB-CG 4.3Å; L337-F378 HydrophobicContact CB-CZ 4.44Å; L337-F378 HydrophobicContact CD1-CD1 4.15Å
338K88.3Confident87.4Confident79 Ų7942 Ų4234%0.34321%0.21SC..Hα-helixtrans-59.9-45172.8-169.7-173.4-173.5-480112.2P334 I336 M340 Y341 D342 F378P334-K338 WeakPolarHBondContact O-CB 3.38Å; P334-K338 PolarHBondContact O-N 3Å; I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 3.27Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 3.18Å; K338-Y341 PolarHBondContact O-N 2.91Å; K338-D342 IonicContact NZ-OD1 2.65Å; K338-D342 PolarHBondContact NZ-OD1 3.3Å; K338-D342 IonicContact NZ-OD2 2.92Å; K338-D342 PolarHBondContact NZ-OD2 2.96Å; K338-D342 WeakPolarHBondContact O-CB 3.25Å; K338-D342 PolarHBondContact O-N 3.13Å; K338-F378 HydrophobicContact CB-CD2 4.02Å; K338-F378 HydrophobicContact CB-CE2 3.65Å; K338-F378 HydrophobicContact CB-CZ 4.37Å; K338-F378 HydrophobicContact CG-CE2 3.94Å
339E89.9Confident87.7Confident25 Ų2541.5 Ų41.512%0.11721%0.208CC..Hα-helixtrans-66.7-32.9178.6-76.4177.6164.300112.9R290 K294 H335 I336 L337 A343R290-E339 WeakPolarHBondContact CA-OE2 3.38Å; R290-E339 WeakPolarHBondContact CB-OE2 3.09Å; R290-E339 WeakPolarHBondContact CG-OE2 3.42Å; R290-E339 IonicContact CZ-OE1 2.73Å; R290-E339 VanDerWaalsContact NE-CD 3.31Å; R290-E339 IonicContact NE-OE1 2.81Å; R290-E339 PolarHBondContact NE-OE1 2.97Å; R290-E339 IonicContact NE-OE2 3.97Å; R290-E339 PolarHBondContact NE-OE2 3.19Å; R290-E339 IonicContact NH2-OE1 3.47Å; R290-E339 PolarHBondContact NH2-OE1 3.27Å; K294-E339 IonicContact NZ-OE1 2.85Å; H335-E339 WeakPolarHBondContact O-CG 3.19Å; H335-E339 PolarHBondContact O-N 3.3Å; I336-E339 PolarHBondContact O-N 3.3Å; I336-E339 VanDerWaalsContact O-N 3.13Å; L337-E339 PolarHBondContact O-N 3.47Å; E339-A343 WeakPolarHBondContact O-CB 3.21Å; E339-A343 PolarHBondContact O-N 3.49Å; E339-A343 VanDerWaalsContact O-N 3.13Å
340M89.6Confident88Confident0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-70.8-38.9173.7-70.4-175.8173.300111.9F285 I289 I293 L318 I336 L337 K338 A343 D344 L345 L346F285-M340 HydrophobicContact CE2-CE 4.09Å; I289-M340 HydrophobicContact CD1-CE 4.12Å; I293-M340 HydrophobicContact CD1-CE 3.73Å; I293-M340 HydrophobicContact CD1-CG 3.8Å; I293-M340 HydrophobicContact CG1-CE 4.12Å; I293-M340 HydrophobicContact CG1-CG 4.37Å; I293-M340 HydrophobicContact CG2-CG 4.5Å; L318-M340 HydrophobicContact CD1-CE 4.19Å; L318-M340 HydrophobicContact CD2-SD 4.37Å; I336-M340 HydrophobicContact CG2-CE 3.92Å; I336-M340 HydrophobicContact CG2-CG 4.48Å; I336-M340 HydrophobicContact CG2-SD 4.33Å; I336-M340 WeakPolarHBondContact O-CG 3.44Å; I336-M340 PolarHBondContact O-N 2.87Å; L337-M340 PolarHBondContact O-N 2.86Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 3.18Å; M340-A343 PolarHBondContact O-N 3.23Å; M340-D344 PolarHBondContact O-N 3.14Å; M340-L345 WeakPolarHBondContact O-CB 3.34Å; M340-L345 PolarHBondContact O-N 3.45Å; M340-L346 HydrophobicContact CB-CD1 3.77Å; M340-L346 HydrophobicContact CB-CG 4.23Å; M340-L346 HydrophobicContact SD-CD1 3.94Å
341Y89.9Confident88.3Confident72 Ų7240.5 Ų40.528%0.28220%0.203SC..Hα-helixtrans-66.2-50.5173.9177.6-95.4000111.6L337 K338 A343 D344 L346 E348 I351 F378 W381 L382L337-Y341 WeakPolarHBondContact O-CB 2.95Å; L337-Y341 PolarHBondContact O-N 3.43Å; K338-Y341 PolarHBondContact O-N 2.91Å; Y341-A343 PolarHBondContact O-N 3.06Å; Y341-A343 VanDerWaalsContact O-N 3.08Å; Y341-D344 PolarHBondContact O-N 3.28Å; Y341-L346 WeakPolarHBondContact CD2-O 3.4Å; Y341-E348 HydrophobicContact CE2-CB 4.26Å; Y341-I351 HydrophobicContact CD2-CD1 4.21Å; Y341-F378 HydrophobicContact CG-CZ 4.24Å; Y341-W381 HydrophobicContact CD1-CZ3 4.36Å; Y341-W381 HydrophobicContact CE1-CH2 4.24Å; Y341-W381 HydrophobicContact CE1-CZ3 4.27Å; Y341-L382 HydrophobicContact CD2-CD2 4.29Å; Y341-L382 HydrophobicContact CE1-CD2 4.38Å; Y341-L382 HydrophobicContact CE2-CD2 3.93Å
342D89.1Confident88.2Confident89 Ų8938.4 Ų38.448%0.47619%0.186SC..Hα-helixtrans-59.7-22.5175.9-67.9-13.6000112.2K338K338-D342 IonicContact NZ-OD1 2.65Å; K338-D342 PolarHBondContact NZ-OD1 3.3Å; K338-D342 IonicContact NZ-OD2 2.92Å; K338-D342 PolarHBondContact NZ-OD2 2.96Å; K338-D342 WeakPolarHBondContact O-CB 3.25Å; K338-D342 PolarHBondContact O-N 3.13Å
343A87.9Confident88.2Confident11 Ų1136 Ų369%0.09118%0.179CC..THydrogen-bonded Turntrans-90.74.9177.100000113.9I293 R297 E339 M340 Y341 L345I293-A343 HydrophobicContact CG2-CB 4.43Å; R297-A343 HydrophobicContact CG-CB 4.25Å; R297-A343 PolarHBondContact NE-O 3.16Å; R297-A343 PolarHBondContact NH2-O 3.19Å; E339-A343 WeakPolarHBondContact O-CB 3.21Å; E339-A343 PolarHBondContact O-N 3.49Å; E339-A343 VanDerWaalsContact O-N 3.13Å; M340-A343 PolarHBondContact O-N 3.23Å; Y341-A343 PolarHBondContact O-N 3.06Å; Y341-A343 VanDerWaalsContact O-N 3.08Å; A343-L345 HydrophobicContact CB-CD1 4.27Å; A343-L345 HydrophobicContact CB-CG 3.96Å; A343-L345 PolarHBondContact O-N 3.06Å
344D88.4Confident88.1Confident103 Ų10336.6 Ų36.655%0.55118%0.181SC*.THydrogen-bonded Turntrans59.928.8-176.9-44.8-75.6000113.5R297 L301 M340 Y341R297-D344 IonicContact CZ-OD2 3.11Å; R297-D344 IonicContact NH2-OD2 2.65Å; R297-D344 PolarHBondContact NH2-OD2 3.45Å; L301-D344 HydrophobicContact CD1-CB 4.21Å; L301-D344 WeakPolarHBondContact CD1-O 3.27Å; M340-D344 PolarHBondContact O-N 3.14Å; Y341-D344 PolarHBondContact O-N 3.28Å
345L87.6Confident87.8Confident1 Ų136.7 Ų36.71%0.00518%0.183CC..SBendtrans-89.9-23.7179.2-57.4-176.8000112.8I293 R297 F300 L301 C304 Q311 L314 M340 A343I293-L345 HydrophobicContact CG2-CD1 4.15Å; R297-L345 HydrophobicContact CG-CD2 4.45Å; F300-L345 HydrophobicContact CB-CD1 3.94Å; F300-L345 HydrophobicContact CB-CD2 3.62Å; F300-L345 HydrophobicContact CB-CG 4.37Å; F300-L345 HydrophobicContact CG-CD1 4.45Å; L301-L345 HydrophobicContact CB-CD2 4.13Å; L301-L345 HydrophobicContact CD1-CD2 4.4Å; C304-L345 WeakPolarHBondContact CB-O 3.44Å; Q311-L345 WeakPolarHBondContact CG-O 3.3Å; L314-L345 HydrophobicContact CD2-CB 3.93Å; M340-L345 WeakPolarHBondContact O-CB 3.34Å; M340-L345 PolarHBondContact O-N 3.45Å; A343-L345 HydrophobicContact CB-CD1 4.27Å; A343-L345 HydrophobicContact CB-CG 3.96Å; A343-L345 PolarHBondContact O-N 3.06Å
346L89.4Confident87.4Confident4 Ų437.9 Ų37.92%0.02119%0.188CC..SBendtrans-134.9128.8-176.7-65.7174.6000109.8Q311 L314 L315 L337 M340 Y341 I351Q311-L346 HydrophobicContact CB-CD2 3.89Å; Q311-L346 HydrophobicContact CG-CD2 4.42Å; Q311-L346 WeakPolarHBondContact O-CD2 3.21Å; L314-L346 HydrophobicContact CB-CD2 4.4Å; L314-L346 HydrophobicContact CD2-CD2 3.95Å; L314-L346 HydrophobicContact CD2-CG 4.22Å; L314-L346 HydrophobicContact CG-CD2 4.35Å; L315-L346 HydrophobicContact CD1-CD2 4.34Å; L315-L346 HydrophobicContact CD2-CD1 3.64Å; L315-L346 HydrophobicContact CD2-CD2 4.26Å; L315-L346 HydrophobicContact CG-CD1 4.23Å; L315-L346 HydrophobicContact CG-CD2 3.91Å; L337-L346 HydrophobicContact CD2-CD1 4.29Å; M340-L346 HydrophobicContact CB-CD1 3.77Å; M340-L346 HydrophobicContact CB-CG 4.23Å; M340-L346 HydrophobicContact SD-CD1 3.94Å; Y341-L346 WeakPolarHBondContact CD2-O 3.4Å; L346-I351 HydrophobicContact CB-CD1 3.73Å; L346-I351 HydrophobicContact CB-CG1 3.89Å; L346-I351 HydrophobicContact CD1-CD1 4.29Å; L346-I351 HydrophobicContact CD1-CG1 4.23Å
347E88.8Confident86.5Confident64 Ų6443.1 Ų43.130%0.29921%0.211SC..  trans-82149.8172.3-68.1168.1-136.300110.8Q311 E349 V350 I351Q311-E347 PolarHBondContact NE2-OE1 3.14Å; E347-E349 HydrophobicContact CB-CG 4.16Å; E347-E349 PolarHBondContact O-N 3.19Å; E347-V350 HydrophobicContact CB-CG2 4.3Å; E347-V350 PolarHBondContact O-N 3.31Å; E347-I351 WeakPolarHBondContact O-CG1 3.32Å; E347-I351 PolarHBondContact O-N 3.11Å
348E86.3Confident84.9Confident19 Ų1946.5 Ų46.59%0.08924%0.239CC..Hα-helixtrans-56.6-47.9-178.3171.1160.8-176.400112.6Y341 V350 I351 I352 L382Y341-E348 HydrophobicContact CE2-CB 4.26Å; E348-V350 VanDerWaalsContact C-N 3.26Å; E348-V350 PolarHBondContact O-N 2.75Å; E348-I351 PolarHBondContact O-N 2.86Å; E348-I351 VanDerWaalsContact O-N 3.13Å; E348-I352 HydrophobicContact CG-CD1 3.61Å; E348-I352 HydrophobicContact CG-CG1 4.33Å; E348-I352 WeakPolarHBondContact O-CG1 3.5Å; E348-I352 PolarHBondContact O-N 3.01Å; E348-L382 HydrophobicContact CG-CB 4.31Å; E348-L382 HydrophobicContact CG-CD1 4.45Å; E348-L382 HydrophobicContact CG-CD2 4.33Å
349E86.3Confident83.3Confident88 Ų8844.2 Ų44.241%0.41123%0.233SC..Hα-helixtrans-57.2-37.2178.646.6148.4-112.100113.1K308 E347 S353K308-E349 WeakPolarHBondContact CD-OE1 3.37Å; K308-E349 WeakPolarHBondContact CE-OE1 3.43Å; K308-E349 IonicContact NZ-OE1 2.79Å; K308-E349 PolarHBondContact NZ-OE1 3.04Å; K308-E349 IonicContact NZ-OE2 2.82Å; K308-E349 PolarHBondContact NZ-OE2 3.03Å; E347-E349 HydrophobicContact CB-CG 4.16Å; E347-E349 PolarHBondContact O-N 3.19Å; E349-S353 VanDerWaalsContact O-CB 3.24Å; E349-S353 WeakPolarHBondContact O-CB 3.32Å; E349-S353 PolarHBondContact O-N 3.17Å
350V87.8Confident81.4Confident5 Ų550.8 Ų50.83%0.0326%0.261CS..Hα-helixtrans-71.2-39.9179.7-179.90000110.5K308 Q311 R312 L315 E347 E348 W354K308-V350 HydrophobicContact CB-CG2 4.01Å; K308-V350 HydrophobicContact CG-CG2 4.13Å; Q311-V350 HydrophobicContact CB-CG1 3.94Å; Q311-V350 HydrophobicContact CB-CG2 4.46Å; R312-V350 HydrophobicContact CG-CG1 3.75Å; L315-V350 HydrophobicContact CD1-CG1 4.05Å; E347-V350 HydrophobicContact CB-CG2 4.3Å; E347-V350 PolarHBondContact O-N 3.31Å; E348-V350 VanDerWaalsContact C-N 3.26Å; E348-V350 PolarHBondContact O-N 2.75Å; V350-W354 VanDerWaalsContact O-CB 3.28Å; V350-W354 WeakPolarHBondContact O-CB 3.31Å; V350-W354 PolarHBondContact O-N 3.12Å
351I87.2Confident79.9Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-66.3-43.1177.9-59.7170.9000110.2Y341 L346 E347 E348 W354 S355 F378 I379 L382Y341-I351 HydrophobicContact CD2-CD1 4.21Å; L346-I351 HydrophobicContact CB-CD1 3.73Å; L346-I351 HydrophobicContact CB-CG1 3.89Å; L346-I351 HydrophobicContact CD1-CD1 4.29Å; L346-I351 HydrophobicContact CD1-CG1 4.23Å; E347-I351 WeakPolarHBondContact O-CG1 3.32Å; E347-I351 PolarHBondContact O-N 3.11Å; E348-I351 PolarHBondContact O-N 2.86Å; E348-I351 VanDerWaalsContact O-N 3.13Å; I351-W354 PolarHBondContact O-N 3.22Å; I351-S355 WeakPolarHBondContact O-CB 3.39Å; I351-S355 PolarHBondContact O-N 2.91Å; I351-F378 HydrophobicContact CD1-CE1 4.05Å; I351-F378 HydrophobicContact CG2-CE1 4.29Å; I351-I379 HydrophobicContact CG2-CD1 3.38Å; I351-L382 HydrophobicContact CB-CD1 4.34Å; I351-L382 HydrophobicContact CD1-CD1 4.19Å; I351-L382 HydrophobicContact CG2-CD1 4.08Å
352I86.5Confident78.5Confident32 Ų3252.8 Ų52.816%0.16427%0.27CS..Hα-helixtrans-63.4-50.9176.9-66.6170.1000110.2E348 W354 S355 E356 K383E348-I352 HydrophobicContact CG-CD1 3.61Å; E348-I352 HydrophobicContact CG-CG1 4.33Å; E348-I352 WeakPolarHBondContact O-CG1 3.5Å; E348-I352 PolarHBondContact O-N 3.01Å; I352-W354 VanDerWaalsContact C-N 3.31Å; I352-W354 PolarHBondContact O-N 3.41Å; I352-S355 PolarHBondContact O-N 3.08Å; I352-S355 PolarHBondContact O-OG 3.3Å; I352-E356 WeakPolarHBondContact CG2-OE1 3.14Å; I352-E356 WeakPolarHBondContact O-CG 3.19Å; I352-E356 PolarHBondContact O-N 3.45Å; I352-K383 HydrophobicContact CD1-CG 4.14Å
353S85.9Confident77.5Confident33 Ų3349.3 Ų49.323%0.23125%0.253CS..Hα-helixtrans-56.6-42.5178.1177.60000112.4E349 S355 E356 K357E349-S353 VanDerWaalsContact O-CB 3.24Å; E349-S353 WeakPolarHBondContact O-CB 3.32Å; E349-S353 PolarHBondContact O-N 3.17Å; S353-S355 PolarHBondContact O-N 3.03Å; S353-E356 PolarHBondContact O-N 3.41Å; S353-K357 PolarHBondContact O-N 2.89Å
354W85.8Confident76.9Confident13 Ų1351.8 Ų51.85%0.04927%0.269CS..Hα-helixtrans-66.5-35.1176.4167.284.4000113.4L315 E319 L337 V350 I351 I352 E356 K357 I371 R372 A375L315-W354 HydrophobicContact CB-CD2 4.5Å; L315-W354 HydrophobicContact CB-CG 4.26Å; L315-W354 HydrophobicContact CD1-CB 3.61Å; L315-W354 HydrophobicContact CD1-CD2 4.11Å; L315-W354 HydrophobicContact CD1-CG 3.66Å; L315-W354 HydrophobicContact CD2-CD2 4.43Å; L315-W354 HydrophobicContact CG-CG 4.44Å; E319-W354 HydrophobicContact CG-CZ2 4.08Å; E319-W354 WeakPolarHBondContact OE1-CZ2 3.3Å; E319-W354 PolarHBondContact OE1-NE1 3.23Å; L337-W354 HydrophobicContact CD1-CZ3 4.45Å; V350-W354 VanDerWaalsContact O-CB 3.28Å; V350-W354 WeakPolarHBondContact O-CB 3.31Å; V350-W354 PolarHBondContact O-N 3.12Å; I351-W354 PolarHBondContact O-N 3.22Å; I352-W354 VanDerWaalsContact C-N 3.31Å; I352-W354 PolarHBondContact O-N 3.41Å; W354-E356 VanDerWaalsContact C-N 3.29Å; W354-E356 PolarHBondContact O-N 2.86Å; W354-K357 VanDerWaalsContact O-O 3.12Å; W354-I371 HydrophobicContact CH2-CG2 3.7Å; W354-I371 HydrophobicContact CZ2-CG2 3.89Å; W354-R372 HydrophobicContact CH2-CG 4.45Å; W354-A375 HydrophobicContact CZ3-CB 4.23Å
355S81.1Confident76.2Confident27 Ų2753.3 Ų53.319%0.18927%0.271CS..Hα-helixtrans-67.2-33178.177.50000112I351 I352 S353I351-S355 WeakPolarHBondContact O-CB 3.39Å; I351-S355 PolarHBondContact O-N 2.91Å; I352-S355 PolarHBondContact O-N 3.08Å; I352-S355 PolarHBondContact O-OG 3.3Å; S353-S355 PolarHBondContact O-N 3.03Å
356E80.1Confident75.8Confident130 Ų13060.1 Ų60.161%0.60730%0.302SS*.Hα-helixtrans-83.9-35.5-177.5-67.3175.1-176.600112.2I352 S353 W354 K383I352-E356 WeakPolarHBondContact CG2-OE1 3.14Å; I352-E356 WeakPolarHBondContact O-CG 3.19Å; I352-E356 PolarHBondContact O-N 3.45Å; S353-E356 PolarHBondContact O-N 3.41Å; W354-E356 VanDerWaalsContact C-N 3.29Å; W354-E356 PolarHBondContact O-N 2.86Å; E356-K383 IonicContact OE1-NZ 2.79Å; E356-K383 PolarHBondContact OE1-NZ 3.12Å
357K70.3Confident75.3Confident111 Ų11160.1 Ų60.148%0.48330%0.302SS..SBendtrans-92.3102.4176.5-69.2176.9-177169.70111.3S353 W354 S359 R372 E394S353-K357 PolarHBondContact O-N 2.89Å; W354-K357 VanDerWaalsContact O-O 3.12Å; K357-S359 PolarHBondContact O-N 2.86Å; K357-S359 VanDerWaalsContact O-N 3.09Å; K357-R372 PolarHBondContact O-NH2 3.04Å; K357-E394 IonicContact NZ-OE1 2.98Å; K357-E394 PolarHBondContact NZ-OE1 3.37Å; K357-E394 IonicContact NZ-OE2 3.97Å; K357-E394 PolarHBondContact NZ-OE2 2.76Å
358A57.3Low74.9Confident71 Ų7157.2 Ų57.259%0.58729%0.29SS*.  trans-69.8104.1172.400000111.3
359S54.5Low74.7Confident31 Ų3163.4 Ų63.422%0.21732%0.316CS..  trans-74.9135.3174.3-174.30000111K357K357-S359 PolarHBondContact O-N 2.86Å; K357-S359 VanDerWaalsContact O-N 3.09Å
360K50.3Low74.6Confident163 Ų16363.4 Ų63.471%0.70932%0.316SS*.  trans-97.8-4.5-178-65.6175.8-175.61690113.5
361K57.3Low74.5Confident57 Ų5763.3 Ų63.325%0.24832%0.316CS..SBendtrans-99.5-22.7-157.1-67.2-177.9167.5-173.60115.5N400 E402K361-N400 PolarHBondContact NZ-ND2 2.96Å; K361-N400 PolarHBondContact NZ-O 3.36Å; K361-N400 PolarHBondContact NZ-OD1 3.4Å; K361-E402 HydrophobicContact CD-CG 3.87Å; K361-E402 WeakPolarHBondContact CE-OE1 3.26Å; K361-E402 HydrophobicContact CG-CG 4.2Å
362Y60.6Low74.3Confident56 Ų5664.5 Ų64.522%0.2232%0.32CS..SBendtrans-111.1-31.7-172-64-80000114.9L278 H316L278-Y362 HydrophobicContact CD2-CE1 4.4Å; H316-Y362 HydrophobicContact CB-CD2 3.96Å; H316-Y362 HydrophobicContact CB-CE2 4.07Å; H316-Y362 HydrophobicContact CB-CG 4.22Å; H316-Y362 AromaticContact CD2-CE2 3.56Å; H316-Y362 AromaticContact CG-CD2 3.6Å; H316-Y362 AromaticContact CG-CE2 3.59Å; H316-Y362 AromaticContact ND1-CD2 3.61Å; H316-Y362 AromaticContact ND1-CE2 3.95Å; H316-Y362 AromaticContact NE2-CE2 3.91Å
363V67.7Low74.4Confident17 Ų1766.8 Ų66.810%0.10334%0.335CS..SBendtrans-138160.7-176.4-66.90000111.9E319 A323 L367 A368E319-V363 HydrophobicContact CB-CG1 3.96Å; E319-V363 HydrophobicContact CB-CG2 4.21Å; E319-V363 WeakPolarHBondContact O-CG1 3.45Å; A323-V363 HydrophobicContact CB-CG1 3.82Å; V363-L367 HydrophobicContact CB-CD2 4.19Å; V363-L367 HydrophobicContact CG1-CD2 4.25Å; V363-A368 HydrophobicContact CG2-CB 3.7Å
364S75.3Confident74.4Confident63 Ų6369.5 Ų69.544%0.44134%0.343SS..  trans-60.9148.4178.579.80000111.2E366 L367 A368S364-E366 PolarHBondContact O-N 2.83Å; S364-E366 PolarHBondContact OG-OE2 3.41Å; S364-L367 PolarHBondContact O-N 2.89Å; S364-L367 VanDerWaalsContact O-N 3.11Å; S364-L367 PolarHBondContact OG-N 3.34Å; S364-A368 PolarHBondContact O-N 3Å
365K73.9Confident74.4Confident134 Ų13469 Ų6958%0.58334%0.341SS*.Hα-helixtrans-59.1-33.2-177.4-71179-176.4169.20112.5K369K365-K369 VanDerWaalsContact O-CG 3.28Å; K365-K369 WeakPolarHBondContact O-CG 3.21Å; K365-K369 PolarHBondContact O-N 2.92Å
366E78.9Confident74.6Confident144 Ų14473.2 Ų73.267%0.67336%0.358SS*.Hα-helixtrans-66.5-47.8176.3-57.984.3-160.100111S364 A368 K369 E370S364-E366 PolarHBondContact O-N 2.83Å; S364-E366 PolarHBondContact OG-OE2 3.41Å; E366-A368 PolarHBondContact O-N 2.84Å; E366-K369 PolarHBondContact O-N 3.33Å; E366-E370 WeakPolarHBondContact O-CB 3.47Å; E366-E370 PolarHBondContact O-N 3.04Å
367L79.9Confident74.9Confident4 Ų471.1 Ų71.12%0.02136%0.356CS..Hα-helixtrans-66.8-41.4-178.2-174.868.8000111.5A323 Q326 I330 V363 S364 K369 E370 I371A323-L367 HydrophobicContact CB-CD2 3.51Å; Q326-L367 HydrophobicContact CG-CD1 3.97Å; Q326-L367 HydrophobicContact CG-CD2 4.44Å; I330-L367 HydrophobicContact CD1-CD1 4.39Å; V363-L367 HydrophobicContact CB-CD2 4.19Å; V363-L367 HydrophobicContact CG1-CD2 4.25Å; S364-L367 PolarHBondContact O-N 2.89Å; S364-L367 VanDerWaalsContact O-N 3.11Å; S364-L367 PolarHBondContact OG-N 3.34Å; L367-K369 VanDerWaalsContact C-N 3.28Å; L367-K369 PolarHBondContact O-N 3.22Å; L367-E370 PolarHBondContact O-N 3.03Å; L367-I371 HydrophobicContact CD1-CD1 4.5Å; L367-I371 HydrophobicContact CD2-CD1 4.33Å; L367-I371 HydrophobicContact CG-CD1 3.91Å; L367-I371 HydrophobicContact CG-CG1 4.33Å; L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 VanDerWaalsContact O-CG1 3.26Å; L367-I371 WeakPolarHBondContact O-CG1 3.41Å; L367-I371 PolarHBondContact O-N 3.02Å
368A79.8Confident75.7Confident4 Ų466.3 Ų66.33%0.03334%0.335CS..Hα-helixtrans-60.4-40.5177.900000111.2V363 S364 E366 R372V363-A368 HydrophobicContact CG2-CB 3.7Å; S364-A368 PolarHBondContact O-N 3Å; E366-A368 PolarHBondContact O-N 2.84Å; A368-R372 WeakPolarHBondContact O-CG 3.36Å; A368-R372 PolarHBondContact O-N 2.9Å; A368-R372 PolarHBondContact O-NH1 2.59Å
369K82.5Confident77.1Confident148 Ų14863.5 Ų63.564%0.64331%0.31SS*.Hα-helixtrans-67-43.9174.6-74.4176.4179.4-1750111.2K365 E366 L367 I371 R372 V373K365-K369 VanDerWaalsContact O-CG 3.28Å; K365-K369 WeakPolarHBondContact O-CG 3.21Å; K365-K369 PolarHBondContact O-N 2.92Å; E366-K369 PolarHBondContact O-N 3.33Å; L367-K369 VanDerWaalsContact C-N 3.28Å; L367-K369 PolarHBondContact O-N 3.22Å; K369-I371 PolarHBondContact O-N 3.17Å; K369-R372 PolarHBondContact O-N 3.37Å; K369-V373 VanDerWaalsContact O-CG2 3.31Å; K369-V373 WeakPolarHBondContact O-CG2 3.16Å; K369-V373 PolarHBondContact O-N 3.41Å
370E85Confident78.7Confident88 Ų8868.1 Ų68.141%0.41133%0.326SS..Hα-helixtrans-61.1-44.4178.9-164.7-178.5-178.300112I330 E366 L367 R372 V373 K374I330-E370 HydrophobicContact CD1-CB 4.35Å; I330-E370 HydrophobicContact CD1-CG 3.84Å; I330-E370 HydrophobicContact CG1-CG 4.11Å; I330-E370 WeakPolarHBondContact CG1-OE1 3.33Å; E366-E370 WeakPolarHBondContact O-CB 3.47Å; E366-E370 PolarHBondContact O-N 3.04Å; L367-E370 PolarHBondContact O-N 3.03Å; E370-R372 VanDerWaalsContact C-N 3.31Å; E370-R372 PolarHBondContact O-N 3.44Å; E370-V373 PolarHBondContact O-N 3.45Å; E370-K374 WeakPolarHBondContact O-CG 3.45Å; E370-K374 PolarHBondContact O-N 3.33Å
371I84.5Confident80.5Confident3 Ų365.8 Ų65.82%0.01531%0.313CS..Hα-helixtrans-56.3-46.1175.3-73.1169.5000110.8E319 V322 I330 I333 W354 L367 K369 K374 A375E319-I371 HydrophobicContact CB-CD1 4.32Å; E319-I371 HydrophobicContact CG-CD1 4.18Å; V322-I371 HydrophobicContact CB-CD1 4.11Å; V322-I371 HydrophobicContact CG1-CD1 3.85Å; V322-I371 HydrophobicContact CG1-CG1 3.93Å; I330-I371 HydrophobicContact CD1-CG1 4.24Å; I333-I371 HydrophobicContact CD1-CB 4.11Å; I333-I371 HydrophobicContact CD1-CG1 3.8Å; I333-I371 HydrophobicContact CD1-CG2 4.13Å; W354-I371 HydrophobicContact CH2-CG2 3.7Å; W354-I371 HydrophobicContact CZ2-CG2 3.89Å; L367-I371 HydrophobicContact CD1-CD1 4.5Å; L367-I371 HydrophobicContact CD2-CD1 4.33Å; L367-I371 HydrophobicContact CG-CD1 3.91Å; L367-I371 HydrophobicContact CG-CG1 4.33Å; L367-I371 WeakPolarHBondContact O-CB 3.27Å; L367-I371 VanDerWaalsContact O-CG1 3.26Å; L367-I371 WeakPolarHBondContact O-CG1 3.41Å; L367-I371 PolarHBondContact O-N 3.02Å; K369-I371 PolarHBondContact O-N 3.17Å; I371-K374 PolarHBondContact O-N 2.87Å; I371-A375 WeakPolarHBondContact O-CB 3.41Å; I371-A375 PolarHBondContact O-N 2.83Å
372R83.7Confident81.7Confident25 Ų2563.1 Ų63.19%0.09430%0.301CS..Hα-helixtrans-66.6-44.2-179.9-72.3174-177.473.88.8111.8E319 W354 K357 A368 K369 E370 K374 A375 E376E319-R372 IonicContact OE1-CZ 3.24Å; E319-R372 IonicContact OE1-NH1 2.71Å; E319-R372 IonicContact OE1-NH2 2.88Å; E319-R372 PolarHBondContact OE1-NH2 3.33Å; E319-R372 VanDerWaalsContact OE1-NH2 3.09Å; W354-R372 HydrophobicContact CH2-CG 4.45Å; K357-R372 PolarHBondContact O-NH2 3.04Å; A368-R372 WeakPolarHBondContact O-CG 3.36Å; A368-R372 PolarHBondContact O-N 2.9Å; A368-R372 PolarHBondContact O-NH1 2.59Å; K369-R372 PolarHBondContact O-N 3.37Å; E370-R372 VanDerWaalsContact C-N 3.31Å; E370-R372 PolarHBondContact O-N 3.44Å; R372-K374 PolarHBondContact O-N 3.46Å; R372-A375 CarbonylContact O-C 3.49Å; R372-A375 WeakPolarHBondContact O-CA 3.45Å; R372-A375 WeakPolarHBondContact O-CB 3.28Å; R372-A375 PolarHBondContact O-N 3.1Å; R372-E376 PolarHBondContact O-N 3.29Å
373V87.4Confident82.5Confident80 Ų8064.8 Ų64.849%0.48531%0.31SS..Hα-helixtrans-57.9-38.2175171.30000111.2K369 E370 A375K369-V373 VanDerWaalsContact O-CG2 3.31Å; K369-V373 WeakPolarHBondContact O-CG2 3.16Å; K369-V373 PolarHBondContact O-N 3.41Å; E370-V373 PolarHBondContact O-N 3.45Å; V373-A375 VanDerWaalsContact C-N 3.35Å
374K86.9Confident83Confident91 Ų9170.5 Ų70.540%0.39634%0.335SS..Hα-helixtrans-74.5-24.4175.6-64.2-62.2-177.7-174.70113.5I330 I333 P334 E370 I371 R372 P377I330-K374 HydrophobicContact CD1-CG 4.49Å; I330-K374 HydrophobicContact CG1-CG 4.32Å; I333-K374 HydrophobicContact CB-CB 4.35Å; I333-K374 HydrophobicContact CD1-CB 4.18Å; P334-K374 WeakPolarHBondContact CD-O 3.33Å; E370-K374 WeakPolarHBondContact O-CG 3.45Å; E370-K374 PolarHBondContact O-N 3.33Å; I371-K374 PolarHBondContact O-N 2.87Å; R372-K374 PolarHBondContact O-N 3.46Å; K374-P377 WeakPolarHBondContact O-CD 3.38Å
375A85.9Confident82.4Confident1 Ų170.8 Ų70.81%0.00834%0.342CS..Hα-helixtrans-80.9-23.3175.700000113I333 L337 W354 I371 R372 V373 P377 F378 I379I333-A375 HydrophobicContact CG2-CB 4.25Å; L337-A375 HydrophobicContact CD1-CB 3.68Å; W354-A375 HydrophobicContact CZ3-CB 4.23Å; I371-A375 WeakPolarHBondContact O-CB 3.41Å; I371-A375 PolarHBondContact O-N 2.83Å; R372-A375 CarbonylContact O-C 3.49Å; R372-A375 WeakPolarHBondContact O-CA 3.45Å; R372-A375 WeakPolarHBondContact O-CB 3.28Å; R372-A375 PolarHBondContact O-N 3.1Å; V373-A375 VanDerWaalsContact C-N 3.35Å; A375-P377 VanDerWaalsContact C-CD 3.4Å; A375-P377 VanDerWaalsContact O-N 3.17Å; A375-F378 WeakPolarHBondContact O-CA 3.36Å; A375-F378 WeakPolarHBondContact O-CB 3.34Å; A375-F378 PolarHBondContact O-N 2.68Å; A375-I379 HydrophobicContact CB-CG1 4.48Å; A375-I379 WeakPolarHBondContact O-CG1 3.34Å; A375-I379 PolarHBondContact O-N 2.93Å
376E84.7Confident81.2Confident116 Ų11670.1 Ų70.154%0.54234%0.34SS..Hα-helixtrans-46-44.6-179-75.8172.1-162.500115.1R372 F378 I379 K380R372-E376 PolarHBondContact O-N 3.29Å; E376-F378 PolarHBondContact O-N 2.88Å; E376-I379 PolarHBondContact O-N 3.05Å; E376-K380 VanDerWaalsContact O-CB 3.31Å; E376-K380 WeakPolarHBondContact O-CB 3.26Å; E376-K380 PolarHBondContact O-N 2.88Å
377P87.7Confident79.3Confident86 Ų8672.4 Ų72.456%0.55835%0.351SS*.Hα-helixtrans-61.4-33.2178.3-2334.9000113K374 A375 W381K374-P377 WeakPolarHBondContact O-CD 3.38Å; A375-P377 VanDerWaalsContact C-CD 3.4Å; A375-P377 VanDerWaalsContact O-N 3.17Å; P377-W381 PolarHBondContact O-N 3.31Å; P377-W381 VanDerWaalsContact O-N 3.17Å
378F86.8Confident77.2Confident10 Ų1080.8 Ų80.84%0.04439%0.39CS..Hα-helixtrans-78.4-40.8177.5179.2-108.3000111.6P334 L337 K338 Y341 I351 A375 E376 K380 W381 L382P334-F378 HydrophobicContact CB-CB 4.08Å; L337-F378 HydrophobicContact CB-CD1 3.64Å; L337-F378 HydrophobicContact CB-CE1 3.71Å; L337-F378 HydrophobicContact CB-CG 4.3Å; L337-F378 HydrophobicContact CB-CZ 4.44Å; L337-F378 HydrophobicContact CD1-CD1 4.15Å; K338-F378 HydrophobicContact CB-CD2 4.02Å; K338-F378 HydrophobicContact CB-CE2 3.65Å; K338-F378 HydrophobicContact CB-CZ 4.37Å; K338-F378 HydrophobicContact CG-CE2 3.94Å; Y341-F378 HydrophobicContact CG-CZ 4.24Å; I351-F378 HydrophobicContact CD1-CE1 4.05Å; I351-F378 HydrophobicContact CG2-CE1 4.29Å; A375-F378 WeakPolarHBondContact O-CA 3.36Å; A375-F378 WeakPolarHBondContact O-CB 3.34Å; A375-F378 PolarHBondContact O-N 2.68Å; E376-F378 PolarHBondContact O-N 2.88Å; F378-K380 VanDerWaalsContact C-N 3.28Å; F378-K380 PolarHBondContact O-N 2.85Å; F378-W381 AromaticContact CD2-CE3 3.82Å; F378-W381 HydrophobicContact CD2-CE3 3.82Å; F378-W381 HydrophobicContact CD2-CZ3 4.33Å; F378-W381 AromaticContact CE2-CE3 3.48Å; F378-W381 HydrophobicContact CE2-CE3 3.48Å; F378-W381 VanDerWaalsContact CE2-CE3 3.48Å; F378-W381 AromaticContact CE2-CZ3 3.54Å; F378-W381 HydrophobicContact CE2-CZ3 3.54Å; F378-W381 HydrophobicContact CZ-CE3 4.32Å; F378-W381 HydrophobicContact CZ-CZ3 4.17Å; F378-W381 WeakPolarHBondContact O-CB 3.44Å; F378-W381 PolarHBondContact O-N 2.92Å; F378-W381 VanDerWaalsContact O-N 3.16Å; F378-L382 HydrophobicContact CD1-CD1 4.02Å; F378-L382 HydrophobicContact CE1-CD1 3.48Å; F378-L382 VanDerWaalsContact CE1-CD1 3.48Å; F378-L382 HydrophobicContact CE1-CG 4.1Å; F378-L382 HydrophobicContact CE2-CG 4.44Å; F378-L382 HydrophobicContact CZ-CD1 3.84Å; F378-L382 HydrophobicContact CZ-CD2 4.18Å; F378-L382 HydrophobicContact CZ-CG 4.03Å; F378-L382 PolarHBondContact O-N 3.29Å
379I86.9Confident75.5Confident13 Ų1386.5 Ų86.57%0.06743%0.43CS..Hα-helixtrans-61.3-41.2173.9-54.1-55.5000110.8I351 A375 E376 W381 L382 K383I351-I379 HydrophobicContact CG2-CD1 3.38Å; A375-I379 HydrophobicContact CB-CG1 4.48Å; A375-I379 WeakPolarHBondContact O-CG1 3.34Å; A375-I379 PolarHBondContact O-N 2.93Å; E376-I379 PolarHBondContact O-N 3.05Å; I379-W381 VanDerWaalsContact C-N 3.33Å; I379-L382 PolarHBondContact O-N 2.98Å; I379-K383 HydrophobicContact CG2-CD 4.1Å; I379-K383 HydrophobicContact CG2-CG 4.37Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 WeakPolarHBondContact O-CG 3.16Å; I379-K383 PolarHBondContact O-N 3.07Å
380K87Confident73.2Confident127 Ų12785.1 Ų85.155%0.55244%0.439SS*.Hα-helixtrans-62.6-41.3175.4-178.3175.4170.4177.90111.4E376 F378 K383 E384E376-K380 VanDerWaalsContact O-CB 3.31Å; E376-K380 WeakPolarHBondContact O-CB 3.26Å; E376-K380 PolarHBondContact O-N 2.88Å; F378-K380 VanDerWaalsContact C-N 3.28Å; F378-K380 PolarHBondContact O-N 2.85Å; K380-K383 PolarHBondContact O-N 3.26Å; K380-E384 WeakPolarHBondContact CE-OE1 3.49Å; K380-E384 HydrophobicContact CG-CG 4.33Å; K380-E384 IonicContact NZ-OE1 3.21Å; K380-E384 VanDerWaalsContact O-CB 3.3Å; K380-E384 WeakPolarHBondContact O-CB 3.3Å; K380-E384 VanDerWaalsContact O-CG 3.31Å; K380-E384 WeakPolarHBondContact O-CG 3.41Å; K380-E384 PolarHBondContact O-N 3.22Å
381W87.9Confident71Confident114 Ų11484.6 Ų84.643%0.43246%0.458SS..Hα-helixtrans-63-39.9175174.576.1000112.8Y341 P377 F378 I379 A385Y341-W381 HydrophobicContact CD1-CZ3 4.36Å; Y341-W381 HydrophobicContact CE1-CH2 4.24Å; Y341-W381 HydrophobicContact CE1-CZ3 4.27Å; P377-W381 PolarHBondContact O-N 3.31Å; P377-W381 VanDerWaalsContact O-N 3.17Å; F378-W381 AromaticContact CD2-CE3 3.82Å; F378-W381 HydrophobicContact CD2-CE3 3.82Å; F378-W381 HydrophobicContact CD2-CZ3 4.33Å; F378-W381 AromaticContact CE2-CE3 3.48Å; F378-W381 HydrophobicContact CE2-CE3 3.48Å; F378-W381 VanDerWaalsContact CE2-CE3 3.48Å; F378-W381 AromaticContact CE2-CZ3 3.54Å; F378-W381 HydrophobicContact CE2-CZ3 3.54Å; F378-W381 HydrophobicContact CZ-CE3 4.32Å; F378-W381 HydrophobicContact CZ-CZ3 4.17Å; F378-W381 WeakPolarHBondContact O-CB 3.44Å; F378-W381 PolarHBondContact O-N 2.92Å; F378-W381 VanDerWaalsContact O-N 3.16Å; I379-W381 VanDerWaalsContact C-N 3.33Å; W381-A385 WeakPolarHBondContact O-CB 3.36Å; W381-A385 PolarHBondContact O-N 3.2Å; W381-A385 VanDerWaalsContact O-N 3.15Å
382L83.6Confident68.6Low1 Ų187.6 Ų87.61%0.00549%0.489CS..Hα-helixtrans-63.3-52.6173.3-73.4173.7000111.2Y341 E348 I351 F378 I379 E384 A385 E386Y341-L382 HydrophobicContact CD2-CD2 4.29Å; Y341-L382 HydrophobicContact CE1-CD2 4.38Å; Y341-L382 HydrophobicContact CE2-CD2 3.93Å; E348-L382 HydrophobicContact CG-CB 4.31Å; E348-L382 HydrophobicContact CG-CD1 4.45Å; E348-L382 HydrophobicContact CG-CD2 4.33Å; I351-L382 HydrophobicContact CB-CD1 4.34Å; I351-L382 HydrophobicContact CD1-CD1 4.19Å; I351-L382 HydrophobicContact CG2-CD1 4.08Å; F378-L382 HydrophobicContact CD1-CD1 4.02Å; F378-L382 HydrophobicContact CE1-CD1 3.48Å; F378-L382 VanDerWaalsContact CE1-CD1 3.48Å; F378-L382 HydrophobicContact CE1-CG 4.1Å; F378-L382 HydrophobicContact CE2-CG 4.44Å; F378-L382 HydrophobicContact CZ-CD1 3.84Å; F378-L382 HydrophobicContact CZ-CD2 4.18Å; F378-L382 HydrophobicContact CZ-CG 4.03Å; F378-L382 PolarHBondContact O-N 3.29Å; I379-L382 PolarHBondContact O-N 2.98Å; L382-E384 VanDerWaalsContact C-N 3.29Å; L382-E384 PolarHBondContact O-N 3.09Å; L382-A385 WeakPolarHBondContact O-CA 3.3Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 3.37Å; L382-E386 PolarHBondContact O-N 3.38Å; L382-E386 VanDerWaalsContact O-N 3.1Å
383K77.4Confident66.4Low92 Ų9295.9 Ų95.940%0.453%0.529SS..Hα-helixtrans-64-27.4178.7-68.6-175.8176.9-170.50114.1I352 E356 I379 K380 E386I352-K383 HydrophobicContact CD1-CG 4.14Å; E356-K383 IonicContact OE1-NZ 2.79Å; E356-K383 PolarHBondContact OE1-NZ 3.12Å; I379-K383 HydrophobicContact CG2-CD 4.1Å; I379-K383 HydrophobicContact CG2-CG 4.37Å; I379-K383 WeakPolarHBondContact O-CB 3.33Å; I379-K383 WeakPolarHBondContact O-CG 3.16Å; I379-K383 PolarHBondContact O-N 3.07Å; K380-K383 PolarHBondContact O-N 3.26Å; K383-E386 CarbonylContact O-C 3.58Å
384E78Confident64.4Low136 Ų13695.6 Ų95.664%0.63652%0.522SS*.Hα-helixtrans-78-21.8172.1-78.1177.8172.600112.4K380 L382K380-E384 WeakPolarHBondContact CE-OE1 3.49Å; K380-E384 HydrophobicContact CG-CG 4.33Å; K380-E384 IonicContact NZ-OE1 3.21Å; K380-E384 VanDerWaalsContact O-CB 3.3Å; K380-E384 WeakPolarHBondContact O-CB 3.3Å; K380-E384 VanDerWaalsContact O-CG 3.31Å; K380-E384 WeakPolarHBondContact O-CG 3.41Å; K380-E384 PolarHBondContact O-N 3.22Å; L382-E384 VanDerWaalsContact C-N 3.29Å; L382-E384 PolarHBondContact O-N 3.09Å
385A62.1Low61.8Low70 Ų70100.3 Ų100.358%0.57955%0.546SS*.Hα-helixtrans-81.4-25.3173.700000112.5W381 L382W381-A385 WeakPolarHBondContact O-CB 3.36Å; W381-A385 PolarHBondContact O-N 3.2Å; W381-A385 VanDerWaalsContact O-N 3.15Å; L382-A385 WeakPolarHBondContact O-CA 3.3Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 3.37Å
386E47.7Very low59.8Low119 Ų119105.5 Ų105.556%0.55657%0.573SS**  trans-127.989.4177-65.3-162.6157.100111.7L382 K383 E388L382-E386 PolarHBondContact O-N 3.38Å; L382-E386 VanDerWaalsContact O-N 3.1Å; K383-E386 CarbonylContact O-C 3.58Å; E386-E388 PolarHBondContact O-N 3.03Å
387E39.3Very low57.5Low192 Ų192108.8 Ų108.890%0.89759%0.589SS**  trans-71.179.8163.4-161.8-179.7-152.200109
388E35.8Very low55.2Low180 Ų180109.9 Ų109.984%0.84159%0.59SS**  trans-173.1128139-102.5-174.6-157.500113.6E386E386-E388 PolarHBondContact O-N 3.03Å
389S43.8Very low52.8Low125 Ų125117.3 Ų117.387%0.87462%0.624SS**  trans-63.3126.4178.3156.20000112.9
390S35.7Very low50.8Low118 Ų118121.6 Ų121.683%0.82565%0.648SS**  trans-134.3106.8166.6-178.70000111
391G37.3Very low48.3Very low78 Ų78121.5 Ų121.580%0.80465%0.652SS**  trans-82.1112.8170.100000110.1
392G35.9Very low45.8Very low65 Ų65121.5 Ų121.567%0.6766%0.657SS**PPolyproline II helixtrans-89.6124.1174.100000112
393E37.5Very low43.5Very low200 Ų200123.5 Ų123.594%0.93567%0.669SS**PPolyproline II helixtrans-66.8136.1164.1-84.5-177.8149.600110
394E45.2Very low41.2Very low74 Ų74123.8 Ų123.835%0.34668%0.678SS.*PPolyproline II helixtrans-95.4127.7177.3-72.2177.9177.700110.1K357K357-E394 IonicContact NZ-OE1 2.98Å; K357-E394 PolarHBondContact NZ-OE1 3.37Å; K357-E394 IonicContact NZ-OE2 3.97Å; K357-E394 PolarHBondContact NZ-OE2 2.76Å
395E32.5Very low39.1Very low190 Ų190122.1 Ų122.189%0.88867%0.667SS**  trans-89.292.9162.5-69.3-178.4169.300108.1
396D43.3Very low37.4Very low110 Ų110123.2 Ų123.259%0.58867%0.67SS**  trans-94.9104.2171.2-71.5-45.4000109.5
397E36.4Very low37Very low185 Ų185126.2 Ų126.286%0.86468%0.681SS**  trans-99.11.8174.4-70-173.6143.800113.9
398D39.3Very low36.9Very low109 Ų109123.3 Ų123.358%0.58368%0.677SS**SBendtrans-115.1124.1176.8-60.7-57.9000110.6K309 N400K309-D398 IonicContact NZ-OD2 2.91Å; K309-D398 PolarHBondContact NZ-OD2 3.02Å; D398-N400 PolarHBondContact O-N 3.46Å
399E36.8Very low36.6Very low165 Ų165118.3 Ų118.377%0.77167%0.667SS**  trans-52.6116.7171.4-70.2-159.6164.300110.3I401E399-I401 HydrophobicContact CB-CD1 4.22Å; E399-I401 HydrophobicContact CB-CG1 4.26Å; E399-I401 PolarHBondContact O-N 3.22Å
400N44.3Very low36.5Very low104 Ų104118.5 Ų118.556%0.55667%0.668SS**  trans-70.274.7-180-175.811.4000111.1K361 D398K361-N400 PolarHBondContact NZ-ND2 2.96Å; K361-N400 PolarHBondContact NZ-O 3.36Å; K361-N400 PolarHBondContact NZ-OD1 3.4Å; D398-N400 PolarHBondContact O-N 3.46Å
401I34.5Very low36.3Very low124 Ų124118.1 Ų118.164%0.63666%0.66SS**  trans-84.6134.3177.4-68.5166.6000110.3E399E399-I401 HydrophobicContact CB-CD1 4.22Å; E399-I401 HydrophobicContact CB-CG1 4.26Å; E399-I401 PolarHBondContact O-N 3.22Å
402E35.6Very low35.9Very low114 Ų114117.1 Ų117.153%0.53364%0.639SS.*  trans-77.2133.8-168.8-74.1177.7171.300113.9K361 V404K361-E402 HydrophobicContact CD-CG 3.87Å; K361-E402 WeakPolarHBondContact CE-OE1 3.26Å; K361-E402 HydrophobicContact CG-CG 4.2Å; E402-V404 HydrophobicContact CB-CG2 4.21Å
403V35Very low35.6Very low43 Ų43123.7 Ų123.726%0.26165%0.65SS.*  trans-110.397.5157.4-175.80000107Y405V403-Y405 HydrophobicContact CG1-CD2 4.07Å; V403-Y405 HydrophobicContact CG1-CE2 3.55Å
404V30Very low35.4Very low98 Ų98119.2 Ų119.259%0.59464%0.636SS**  trans-100.2115.7175.6177.80000108.8E402E402-V404 HydrophobicContact CB-CG2 4.21Å
405Y32.6Very low34.6Very low102 Ų102124.5 Ų124.540%0.466%0.66SS.*  trans-81.7124.2174.6-76.8-90.6000111.4V403V403-Y405 HydrophobicContact CG1-CD2 4.07Å; V403-Y405 HydrophobicContact CG1-CE2 3.55Å
406S26.4Very low34.3Very low93 Ų93121.9 Ų121.965%0.6566%0.658SS**  trans-78.7139.7171.4175.50000111.4T408S406-T408 VanDerWaalsContact C-N 3.28Å; S406-T408 PolarHBondContact O-N 3.09Å; S406-T408 VanDerWaalsContact O-N 3.09Å
407K39.4Very low33.7Very low181 Ų181123.4 Ų123.479%0.78767%0.67SS**THydrogen-bonded Turntrans-75.17-162.8-130.7167-175.6171.40116.1
408T38.3Very low33.4Very low131 Ų131123.2 Ų123.280%0.80467%0.667SS**THydrogen-bonded Turntrans-150.513.6-166.845.60000119.1S406S406-T408 VanDerWaalsContact C-N 3.28Å; S406-T408 PolarHBondContact O-N 3.09Å; S406-T408 VanDerWaalsContact O-N 3.09Å
409A29.3Very low32.7Very low76 Ų76123 Ų12363%0.62867%0.674SS**  trans-140.5141175.200000114V411A409-V411 PolarHBondContact O-N 3.43Å
410S41.2Very low32.2Very low129 Ų129121.5 Ų121.590%0.90267%0.671SS**SBendtrans-68.212.2-179.3-167.60000114.9
411V30.9Very low31.4Very low110 Ų110123.5 Ų123.567%0.66768%0.682SS**SBendtrans-151.7132.1172.1-172.50000107.6A409A409-V411 PolarHBondContact O-N 3.43Å
412P30.3Very low31.1Very low56 Ų56125.6 Ų125.636%0.36469%0.686SS.*  trans-70.4146.6174.427.4-31000111.6
413K29.5Very low31.1Very low204 Ų204127.1 Ų127.189%0.88770%0.698SS**  trans-138129.3176.6-145.4-178.2-170.8-176.50107.9
414V33.1Very low30.9Very low106 Ų106132 Ų13264%0.64272%0.723SS**  trans-108.4130.3179.9-179.70000110.2
415E29Very low31.2Very low185 Ų185135.1 Ų135.186%0.86474%0.736SS**  trans-98.9135.6166.3-76.7-174.8161.500109.9
416T25.7Very low31.4Very low135 Ų135137.5 Ų137.583%0.82875%0.754SS**  trans-85118.2172.851.60000110.5
417V29.8Very low32.1Very low141 Ų141140.3 Ų140.386%0.85576%0.762SS**  trans-92.7113.1162.2-173.30000108.1S419V417-S419 PolarHBondContact O-N 3.44Å
418K29.6Very low32.1Very low182 Ų182139 Ų13979%0.79176%0.762SS**  trans-62.7128.8168.1-78178.3175.8175.50108.8D420K418-D420 PolarHBondContact O-N 2.94Å; K418-D420 VanDerWaalsContact O-N 3.1Å
419S26.3Very low32.2Very low105 Ų105140.4 Ų140.473%0.73476%0.764SS**  trans-70.496.7160.554.40000108.5V417 N421V417-S419 PolarHBondContact O-N 3.44Å; S419-N421 PolarHBondContact O-N 3.28Å; S419-N421 VanDerWaalsContact O-N 3.14Å
420D24.9Very low33.2Very low133 Ų133140.8 Ų140.871%0.71177%0.767SS**  trans-66.1100.3156.3-101.6-77.7000107.1K418 K422K418-D420 PolarHBondContact O-N 2.94Å; K418-D420 VanDerWaalsContact O-N 3.1Å; D420-K422 VanDerWaalsContact C-N 3.29Å; D420-K422 PolarHBondContact O-N 2.92Å
421N28.4Very low33Very low145 Ų145146.4 Ų146.478%0.77579%0.785SS**  trans-68.795.4157.8-84.7-14.7000106.7S419S419-N421 PolarHBondContact O-N 3.28Å; S419-N421 VanDerWaalsContact O-N 3.14Å
422K28.5Very low33.1Very low168 Ų168148.3 Ų148.373%0.7379%0.791SS**  trans-93113.7154.2-82.5-176.5177.5175.60107.5D420 D424D420-K422 VanDerWaalsContact C-N 3.29Å; D420-K422 PolarHBondContact O-N 2.92Å; K422-D424 PolarHBondContact O-N 3.1Å
423D34.7Very low33.3Very low147 Ų147153.1 Ų153.179%0.78681%0.813SS**  trans-52.9115.3160.1-60.1-59.8000108.7
424D31.6Very low33.5Very low145 Ų145150.3 Ų150.378%0.77581%0.809SS**  trans-118.191.7160.2-79.2-36000106.9K422 I426K422-D424 PolarHBondContact O-N 3.1Å; D424-I426 PolarHBondContact O-N 3.32Å
425D36Very low33.5Very low163 Ų163152.9 Ų152.987%0.87282%0.819SS**  trans-54.5110.1160.6-81.5-43.1000108.7D427D425-D427 PolarHBondContact O-N 3.15Å
426I35.8Very low33.8Very low153 Ų153150.9 Ų150.979%0.78582%0.816SS**  trans-83.6101.3169.4-64.7170.7000107.1D424 I428D424-I426 PolarHBondContact O-N 3.32Å; I426-I428 PolarHBondContact O-N 3.13Å
427D41.3Very low34.3Very low151 Ų151151.9 Ų151.981%0.80782%0.816SS**  trans-67.5117.1174.7-134.7-14.8000109.9D425 D429D425-D427 PolarHBondContact O-N 3.15Å; D427-D429 PolarHBondContact O-N 3.12Å
428I39.4Very low34.7Very low155 Ų155152.7 Ų152.780%0.79581%0.813SS**SBendtrans-90.38.3-166.3-131.6168.7000114.3I426I426-I428 PolarHBondContact O-N 3.13Å
429D40.7Very low35Very low159 Ų159150.5 Ų150.585%0.8581%0.814SS**SBendtrans-105.421.8-175.4-85.4-16.1000114.9D427D427-D429 PolarHBondContact O-N 3.12Å
430A50Low35.8Very low84 Ų84154.3 Ų154.369%0.69482%0.821SS**  trans-137.480.3174.100000113
431I38Very low36.8Very low248 Ų248156.2 Ų156.2100%1.27283%0.831SS**  trans-171.90133.5-93.1156000109.5

Retrieved 431 of 431 residues in 104.2 ms (Link to these results)

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