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ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis. Negatively regulates the phagocyte oxidative burst in response to bacterial infection by controlling cellular NADPH biosynthesis and NADPH oxidase-derived reactive oxygen species. Upon macrophage activation, drives the metabolic switch toward glycolysis, thus preventing glucose turnover that produces NADPH via pentose phosphate pathway.

AlphaFold DB , UniProt , Accession A0A096NIG0, Species PAPAN (Papio anubis, Olive baboon), Gene PFKL, Length 780 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
1M27.7Very low46Very low230 Ų23098.8 Ų98.8100%1.13354%0.542SS*.  0-16.70-74-174.9-85.900114.6A3M1-A3 PolarHBondContact O-N 3.26Å
2A32Very low48.2Very low74 Ų7494.1 Ų94.161%0.61252%0.521SS*.THydrogen-bonded Turntrans-76.1-4.2-169.900000118.4
3A31.9Very low50.1Low74 Ų7486.8 Ų86.861%0.61248%0.481SS*.THydrogen-bonded Turntrans-82.2-23.7-17700000114M1 L6M1-A3 PolarHBondContact O-N 3.26Å; A3-L6 PolarHBondContact O-N 2.63Å
4V32Very low52.5Low95 Ų9585 Ų8558%0.57648%0.483SS*.Hα-helixtrans-78.1-26.1-165.5-178.60000113.6K8V4-K8 WeakPolarHBondContact O-CG 3.38Å
5D51.8Low54.5Low86 Ų8685.3 Ų85.346%0.4651%0.513SS..Hα-helixtrans-82.3-21.4176.6-74-33.9000113.6K8 L9D5-K8 IonicContact OD1-NZ 2.71Å; D5-L9 PolarHBondContact O-N 2.8Å
6L43.7Very low56.8Low42 Ų4284.3 Ų84.322%0.2250%0.499CS..Hα-helixtrans-70.8-38.7-173.9-145.2162.7000111.6A3 R10 I756A3-L6 PolarHBondContact O-N 2.63Å; L6-R10 WeakPolarHBondContact O-CG 3.33Å; L6-R10 PolarHBondContact O-N 3.06Å; L6-I756 WeakPolarHBondContact CD1-O 3.38Å; L6-I756 VanDerWaalsContact CG-O 3.24Å; L6-I756 WeakPolarHBondContact CG-O 2.84Å
7E52Low59.1Low155 Ų15579.6 Ų79.672%0.72447%0.472SS*.Hα-helixtrans-76.5-37.7176.2-65.4-169.2147.100112.4L9 R10 A11E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.38Å; E7-R10 PolarHBondContact O-N 2.68Å; E7-A11 WeakPolarHBondContact O-CB 3.49Å; E7-A11 PolarHBondContact O-N 3.06Å
8K56.8Low61.2Low134 Ų13475.2 Ų75.258%0.58345%0.446SS*.Hα-helixtrans-55.7-43.8178.6-76.2178.6-179.3174.40112.7V4 D5 A11 S12V4-K8 WeakPolarHBondContact O-CG 3.38Å; D5-K8 IonicContact OD1-NZ 2.71Å; K8-A11 CarbonylContact O-C 3.5Å; K8-A11 PolarHBondContact O-N 3.43Å; K8-S12 PolarHBondContact O-N 3.49Å
9L56.3Low63.2Low37 Ų3771.3 Ų71.319%0.19442%0.423CS..Hα-helixtrans-81.1-31.7-179-161150.5000112.3D5 E7 A11 S12 V44 M322 M758D5-L9 PolarHBondContact O-N 2.8Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.38Å; L9-A11 PolarHBondContact O-N 3.42Å; L9-S12 PolarHBondContact O-N 3.23Å; L9-S12 VanDerWaalsContact O-N 3.07Å; L9-S12 PolarHBondContact O-OG 3.26Å; L9-V44 HydrophobicContact CD2-CB 4.4Å; L9-V44 HydrophobicContact CD2-CG1 3.59Å; L9-M322 HydrophobicContact CD1-CE 4.22Å; L9-M758 HydrophobicContact CD1-CB 4.45Å; L9-M758 HydrophobicContact CD1-CE 3.89Å; L9-M758 HydrophobicContact CD1-CG 4.04Å; L9-M758 HydrophobicContact CD1-SD 3.6Å; L9-M758 VanDerWaalsContact CD1-SD 3.6Å; L9-M758 HydrophobicContact CD2-CE 4.06Å; L9-M758 HydrophobicContact CD2-SD 3.47Å; L9-M758 WeakPolarHBondContact CD2-SD 3.39Å; L9-M758 HydrophobicContact CG-SD 4.13Å
10R58.2Low64.9Low105 Ų10567.7 Ų67.740%0.39640%0.402SS..Hα-helixtrans-68.8-12.8169.4-65.8-174.577.8-156.42.4113.6L6 E7 V44L6-R10 WeakPolarHBondContact O-CG 3.33Å; L6-R10 PolarHBondContact O-N 3.06Å; E7-R10 PolarHBondContact O-N 2.68Å; R10-V44 CarbonylContact C-O 3.46Å; R10-V44 CarbonylContact O-C 3.35Å; R10-V44 VanDerWaalsContact O-O 3.12Å
11A63.6Low66.5Low55 Ų5564.5 Ų64.546%0.45538%0.382SS..THydrogen-bonded Turntrans-103.4-2.3169.700000113.8E7 K8 L9 G13 A14E7-A11 WeakPolarHBondContact O-CB 3.49Å; E7-A11 PolarHBondContact O-N 3.06Å; K8-A11 CarbonylContact O-C 3.5Å; K8-A11 PolarHBondContact O-N 3.43Å; L9-A11 PolarHBondContact O-N 3.42Å; A11-G13 VanDerWaalsContact C-N 3.27Å; A11-G13 PolarHBondContact O-N 3.4Å; A11-A14 HydrophobicContact CB-CB 4.37Å; A11-A14 WeakPolarHBondContact O-CB 3.44Å; A11-A14 PolarHBondContact O-N 2.94Å
12S72.1Confident69.8Low42 Ų4253.5 Ų53.529%0.29433%0.328SS..THydrogen-bonded Turntrans-70.4-25.5-17670.60000113.2K8 L9K8-S12 PolarHBondContact O-N 3.49Å; L9-S12 PolarHBondContact O-N 3.23Å; L9-S12 VanDerWaalsContact O-N 3.07Å; L9-S12 PolarHBondContact O-OG 3.26Å
13G73.2Confident72.9Confident0 Ų050.3 Ų50.30%030%0.302CS..THydrogen-bonded Turntrans-90.4-6168.100000114.5A11 G15 K16 V44 A46A11-G13 VanDerWaalsContact C-N 3.27Å; A11-G13 PolarHBondContact O-N 3.4Å; G13-G15 PolarHBondContact O-N 2.98Å; G13-K16 WeakPolarHBondContact O-CB 3.38Å; G13-K16 PolarHBondContact O-N 3.34Å; G13-V44 VanDerWaalsContact CA-O 3.24Å; G13-V44 WeakPolarHBondContact CA-O 3.24Å; G13-V44 PolarHBondContact N-O 2.95Å; G13-A46 VanDerWaalsContact O-CA 3.24Å; G13-A46 WeakPolarHBondContact O-CA 3.49Å
14A83.3Confident75.7Confident61 Ų6148.6 Ų48.650%0.50429%0.291SS..THydrogen-bonded Turntrans-61.4128.7-176.500000111A11 K16A11-A14 HydrophobicContact CB-CB 4.37Å; A11-A14 WeakPolarHBondContact O-CB 3.44Å; A11-A14 PolarHBondContact O-N 2.94Å; A14-K16 PolarHBondContact O-N 2.78Å
15G83.2Confident78.5Confident90 Ų9046.1 Ų46.193%0.92829%0.285SS*.THydrogen-bonded Turntrans79.2-11.8-174.400000115.2G13G13-G15 PolarHBondContact O-N 2.98Å
16K90.8Very high80.5Confident69 Ų6944.9 Ų44.930%0.328%0.278SS..  trans-87.6150.6174.1-60.7-177.9178.5-177.30111.2G13 A14 K47 L325G13-K16 WeakPolarHBondContact O-CB 3.38Å; G13-K16 PolarHBondContact O-N 3.34Å; A14-K16 PolarHBondContact O-N 2.78Å; K16-K47 PolarHBondContact O-N 2.8Å; K16-L325 HydrophobicContact CD-CD2 3.56Å; K16-L325 PolarHBondContact NZ-O 3.13Å
17A96.1Very high82.9Confident5 Ų542.9 Ų42.94%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-124.1142.5169.400000111.9K47 F49 G109 I110 N112A17-K47 CarbonylContact C-O 3.55Å; A17-K47 WeakPolarHBondContact CA-O 3.4Å; A17-K47 HydrophobicContact CB-CB 4.14Å; A17-F49 HydrophobicContact CB-CD2 4.29Å; A17-F49 HydrophobicContact CB-CE2 3.93Å; A17-G109 WeakPolarHBondContact CB-O 3.21Å; A17-I110 HydrophobicContact CB-CG1 4.09Å; A17-N112 WeakPolarHBondContact O-CB 3.24Å; A17-N112 PolarHBondContact O-N 2.94Å; A17-N112 PolarHBondContact O-ND2 2.85Å
18I97.9Very high85Confident0 Ų035.5 Ų35.50%023%0.233CC..EExtended strand (participates in β ladder)trans-122.1120.8-177.5-60.2168.9000108.7V20 V37 A46 K47 V48 F49 N112 V321 L324I18-V20 HydrophobicContact CG2-CG2 4.27Å; I18-V37 HydrophobicContact CG2-CG1 4.35Å; I18-A46 HydrophobicContact CD1-CB 3.93Å; I18-A46 HydrophobicContact CG1-CB 4.33Å; I18-K47 PolarHBondContact N-O 3.31Å; I18-V48 CarbonylContact O-C 3.5Å; I18-V48 WeakPolarHBondContact O-CA 3.34Å; I18-F49 PolarHBondContact O-N 3.03Å; I18-N112 CarbonylContact C-O 3.5Å; I18-N112 VanDerWaalsContact CA-O 3.29Å; I18-N112 WeakPolarHBondContact CA-O 3.39Å; I18-N112 HydrophobicContact CG1-CB 3.99Å; I18-V321 HydrophobicContact CD1-CG1 4.03Å; I18-V321 HydrophobicContact CD1-CG2 4.45Å; I18-L324 HydrophobicContact CG2-CD1 3.99Å
19G98.1Very high86.9Confident0 Ų029.1 Ų29.10%021%0.206CC..EExtended strand (participates in β ladder)trans-87.7144.7165.800000111F49 N112 C114G19-F49 CarbonylContact C-O 3.38Å; G19-F49 WeakPolarHBondContact CA-O 3.36Å; G19-N112 PolarHBondContact N-O 2.84Å; G19-C114 PolarHBondContact O-N 3.06Å
20V98.3Very high88.9Confident0 Ų027.5 Ų27.50%020%0.197CC..EExtended strand (participates in β ladder)trans-130124.9175-1670000109I18 V34 V37 V48 F49 I51 C114 I116I18-V20 HydrophobicContact CG2-CG2 4.27Å; V20-V34 HydrophobicContact CG1-CG2 4.3Å; V20-V37 HydrophobicContact CG1-CB 4.43Å; V20-V37 HydrophobicContact CG1-CG1 4.29Å; V20-V37 HydrophobicContact CG2-CB 4.2Å; V20-V37 HydrophobicContact CG2-CG1 3.43Å; V20-V37 VanDerWaalsContact CG2-CG1 3.43Å; V20-V48 HydrophobicContact CG2-CG1 3.74Å; V20-F49 PolarHBondContact N-O 3.15Å; V20-I51 PolarHBondContact O-N 3.38Å; V20-C114 WeakPolarHBondContact CA-O 3.2Å; V20-C114 HydrophobicContact CG1-CB 4.37Å; V20-C114 HydrophobicContact CG2-CB 4.42Å; V20-I116 HydrophobicContact CG1-CD1 3.97Å
21L97.9Very high90.8Very high0 Ų022.5 Ų22.50%018%0.178CC..EExtended strand (participates in β ladder)trans-132.7147.5177.678.280000111.6I51 Y55 L58 L113 C114 V115 I116L21-I51 HydrophobicContact CB-CB 3.81Å; L21-I51 HydrophobicContact CB-CD1 4.23Å; L21-I51 HydrophobicContact CB-CG2 4.01Å; L21-I51 HydrophobicContact CD2-CD1 4.43Å; L21-I51 HydrophobicContact CD2-CG2 4.46Å; L21-Y55 HydrophobicContact CD2-CD1 4.16Å; L21-Y55 HydrophobicContact CD2-CE1 4.05Å; L21-L58 HydrophobicContact CD2-CD2 4.27Å; L21-L113 HydrophobicContact CD2-CD1 4.16Å; L21-L113 HydrophobicContact CD2-CD2 4.44Å; L21-C114 PolarHBondContact N-O 3.08Å; L21-C114 VanDerWaalsContact N-O 3.1Å; L21-V115 HydrophobicContact CD1-CG1 3.95Å; L21-V115 HydrophobicContact CD1-CG2 4.45Å; L21-V115 HydrophobicContact CD2-CG2 4.44Å; L21-V115 HydrophobicContact CG-CG2 4.23Å; L21-I116 PolarHBondContact O-N 3.47Å
22T97.7Very high92.4Very high0 Ų019.9 Ų19.90%016%0.156CC..EExtended strand (participates in β ladder)trans-104136.8165.640.70000110.1M30 V34 G54 T82 I84 G85 I116T22-M30 HydrophobicContact CG2-CB 4.03Å; T22-M30 HydrophobicContact CG2-CG 4.25Å; T22-M30 HydrophobicContact CG2-SD 3.97Å; T22-V34 HydrophobicContact CG2-CG2 4.05Å; T22-G54 WeakPolarHBondContact O-CA 3.21Å; T22-T82 WeakPolarHBondContact OG1-CB 3.49Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.49Å; T22-T82 PolarHBondContact OG1-OG1 2.96Å; T22-I84 HydrophobicContact CG2-CD1 4.42Å; T22-I84 HydrophobicContact CG2-CG1 4.44Å; T22-I84 VanDerWaalsContact OG1-CG1 3.23Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.37Å; T22-G85 PolarHBondContact OG1-O 3.13Å; T22-I116 CarbonylContact C-O 3.5Å; T22-I116 VanDerWaalsContact CA-O 3.28Å; T22-I116 WeakPolarHBondContact CA-O 3.31Å; T22-I116 HydrophobicContact CG2-CB 3.88Å; T22-I116 HydrophobicContact CG2-CD1 4.38Å; T22-I116 HydrophobicContact CG2-CG2 4.16Å
23S95.5Very high93.6Very high7 Ų717.9 Ų17.95%0.04914%0.142CC..EExtended strand (participates in β ladder)trans-147.1146.4-176.7179.50000112.2Y55 S86 I116 G117 S121S23-Y55 VanDerWaalsContact OG-CD2 3.32Å; S23-Y55 WeakPolarHBondContact OG-CD2 3Å; S23-S86 WeakPolarHBondContact CA-OG 3.34Å; S23-I116 PolarHBondContact N-O 2.94Å; S23-G117 WeakPolarHBondContact O-CA 3.31Å; S23-S121 WeakPolarHBondContact CB-OG 3.3Å; S23-S121 PolarHBondContact O-OG 2.77Å; S23-S121 PolarHBondContact OG-OG 2.79Å
24G91.7Very high94.8Very high38 Ų3817.9 Ų17.939%0.39214%0.142SC..SBendtrans94.9-160.3-176.800000112.1S86G24-S86 PolarHBondContact N-OG 3.47Å; G24-S86 VanDerWaalsContact N-OG 3.08Å; G24-S86 PolarHBondContact O-OG 3.43Å
25G90.9Very high95.5Very high43 Ų4315.4 Ų15.444%0.44312%0.12SC..SBendtrans-69.5138.2172.100000110.4M30G25-M30 WeakPolarHBondContact O-CE 3.41Å
26D92.8Very high96.2Very high59 Ų5911.1 Ų11.132%0.3168%0.076SC..  trans-68.8155.2179.669.3-48.7000112.2M30 G81 R301D26-M30 HydrophobicContact CB-SD 4.46Å; D26-G81 WeakPolarHBondContact OD2-CA 3.42Å; D26-R301 PolarHBondContact O-NH1 3.39Å
27A95.2Very high96.5Very high0 Ų07.8 Ų7.80%06%0.061CC..  trans-146.3141.6178.500000109.7G29 M30 I165 I176A27-G29 PolarHBondContact O-N 3.35Å; A27-M30 HydrophobicContact CB-CE 4.12Å; A27-M30 WeakPolarHBondContact O-CG 3.29Å; A27-M30 PolarHBondContact O-N 3.34Å; A27-I165 HydrophobicContact CB-CG2 4.1Å; A27-I176 VanDerWaalsContact CB-O 3.28Å; A27-I176 WeakPolarHBondContact CB-O 3.4Å
28Q96.4Very high96.6Very high1 Ų17.6 Ų7.61%0.0056%0.059CC..THydrogen-bonded Turntrans-66125.4-176.9-5089.4-36.900109.6G177 Q300 R301 G302 P305Q28-G177 WeakPolarHBondContact O-CA 3.37Å; Q28-G177 PolarHBondContact O-N 3.4Å; Q28-Q300 PolarHBondContact NE2-O 2.93Å; Q28-R301 WeakPolarHBondContact CG-O 3.39Å; Q28-R301 PolarHBondContact NE2-O 3.29Å; Q28-R301 PolarHBondContact OE1-O 2.67Å; Q28-G302 PolarHBondContact NE2-O 2.99Å; Q28-P305 HydrophobicContact CB-CB 3.89Å
29G96.4Very high96.5Very high0 Ų08.3 Ų8.30%06%0.062CC..THydrogen-bonded Turntrans114.3-16.9-176.500000114A27 N31 A32 A33 S313A27-G29 PolarHBondContact O-N 3.35Å; G29-N31 PolarHBondContact O-N 3.24Å; G29-N31 VanDerWaalsContact O-N 3.17Å; G29-A32 WeakPolarHBondContact O-CA 3.4Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 3.36Å; G29-A33 PolarHBondContact O-N 2.88Å; G29-A33 VanDerWaalsContact O-N 3.1Å; G29-S313 WeakPolarHBondContact O-CB 3.34Å; G29-S313 PolarHBondContact O-OG 2.94Å
30M97.8Very high96.3Very high2 Ų28.4 Ų8.41%0.016%0.063CC..Hα-helixtrans-50.4-42.3171.9-74.8-177.6172.800112.3T22 G25 D26 A27 A32 A33 V34 I116T22-M30 HydrophobicContact CG2-CB 4.03Å; T22-M30 HydrophobicContact CG2-CG 4.25Å; T22-M30 HydrophobicContact CG2-SD 3.97Å; G25-M30 WeakPolarHBondContact O-CE 3.41Å; D26-M30 HydrophobicContact CB-SD 4.46Å; A27-M30 HydrophobicContact CB-CE 4.12Å; A27-M30 WeakPolarHBondContact O-CG 3.29Å; A27-M30 PolarHBondContact O-N 3.34Å; M30-A32 VanDerWaalsContact C-N 3.32Å; M30-A32 PolarHBondContact O-N 3.43Å; M30-A33 WeakPolarHBondContact O-CB 3.22Å; M30-A33 PolarHBondContact O-N 2.87Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3.14Å; M30-I116 HydrophobicContact CB-CG2 4.5Å; M30-I116 HydrophobicContact CG-CG2 3.99Å
31N97.9Very high96.2Very high0 Ų08.4 Ų8.40%06%0.063CC..Hα-helixtrans-61-34.4174.3-70.9-41.8000114.4G29 R35 I76 L79 G80 G81 T82 I83G29-N31 PolarHBondContact O-N 3.24Å; G29-N31 VanDerWaalsContact O-N 3.17Å; N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.28Å; N31-R35 PolarHBondContact O-N 3.32Å; N31-I76 HydrophobicContact CB-CB 4.23Å; N31-I76 HydrophobicContact CB-CD1 4.3Å; N31-I76 HydrophobicContact CB-CG1 4.24Å; N31-I76 VanDerWaalsContact CB-O 3.25Å; N31-I76 WeakPolarHBondContact CB-O 3.35Å; N31-I76 VanDerWaalsContact O-CD1 3.31Å; N31-I76 WeakPolarHBondContact O-CD1 3.31Å; N31-L79 PolarHBondContact ND2-O 2.94Å; N31-G80 PolarHBondContact ND2-O 3.47Å; N31-G81 PolarHBondContact ND2-O 2.64Å; N31-G81 VanDerWaalsContact ND2-O 3.08Å; N31-T82 WeakPolarHBondContact OD1-CA 3.38Å; N31-I83 VanDerWaalsContact OD1-CG1 3.32Å; N31-I83 WeakPolarHBondContact OD1-CG1 3.31Å; N31-I83 WeakPolarHBondContact OD1-CG2 3.37Å; N31-I83 PolarHBondContact OD1-N 2.98Å
32A97.6Very high96Very high0 Ų010.6 Ų10.60%07%0.074CC..Hα-helixtrans-70.6-3717600000111.1G29 M30 A36 I77 R310G29-A32 WeakPolarHBondContact O-CA 3.4Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 3.36Å; M30-A32 VanDerWaalsContact C-N 3.32Å; M30-A32 PolarHBondContact O-N 3.43Å; A32-A36 WeakPolarHBondContact O-CB 3.42Å; A32-A36 PolarHBondContact O-N 2.92Å; A32-I77 HydrophobicContact CB-CG1 3.88Å; A32-R310 HydrophobicContact CB-CB 4.47Å
33A97.8Very high95.7Very high0 Ų011.3 Ų11.30%08%0.077CC..Hα-helixtrans-66.5-51.2172.900000111.6G29 M30 R35 A36 V37 I116 L161 I176G29-A33 PolarHBondContact O-N 2.88Å; G29-A33 VanDerWaalsContact O-N 3.1Å; M30-A33 WeakPolarHBondContact O-CB 3.22Å; M30-A33 PolarHBondContact O-N 2.87Å; A33-R35 VanDerWaalsContact C-N 3.26Å; A33-R35 PolarHBondContact O-N 2.83Å; A33-A36 PolarHBondContact O-N 3.47Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.09Å; A33-I116 HydrophobicContact CB-CD1 3.84Å; A33-L161 HydrophobicContact CB-CD1 3.84Å; A33-I176 HydrophobicContact CB-CD1 4.35Å
34V98.3Very high95.4Very high0 Ų011 Ų110%07%0.074CC..Hα-helixtrans-53.5-44.4174.5172.40000111V20 T22 M30 T38 L50 V73 I76 I84 I116V20-V34 HydrophobicContact CG1-CG2 4.3Å; T22-V34 HydrophobicContact CG2-CG2 4.05Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3.14Å; V34-T38 VanDerWaalsContact O-CB 3.25Å; V34-T38 WeakPolarHBondContact O-CB 3.3Å; V34-T38 PolarHBondContact O-N 3.43Å; V34-T38 PolarHBondContact O-OG1 2.71Å; V34-L50 HydrophobicContact CG1-CD2 3.73Å; V34-V73 HydrophobicContact CG1-CG1 4.2Å; V34-I76 HydrophobicContact CG1-CD1 4.36Å; V34-I84 HydrophobicContact CG1-CD1 4.38Å; V34-I84 HydrophobicContact CG2-CD1 3.92Å; V34-I116 HydrophobicContact CG2-CD1 3.66Å
35R97.9Very high95.3Very high9 Ų911 Ų113%0.0347%0.074CC..Hα-helixtrans-59.6-46.6175.1175.5-177.2166.4-84.10.9112.4N31 A33 R39 V73 I76N31-R35 VanDerWaalsContact O-CB 3.25Å; N31-R35 WeakPolarHBondContact O-CB 3.28Å; N31-R35 PolarHBondContact O-N 3.32Å; A33-R35 VanDerWaalsContact C-N 3.26Å; A33-R35 PolarHBondContact O-N 2.83Å; R35-R39 HydrophobicContact CG-CG 4.48Å; R35-R39 WeakPolarHBondContact O-CB 3.5Å; R35-R39 WeakPolarHBondContact O-CG 3.44Å; R35-R39 PolarHBondContact O-N 3.45Å; R35-V73 HydrophobicContact CB-CB 4.13Å; R35-V73 HydrophobicContact CB-CG2 4.46Å; R35-V73 HydrophobicContact CG-CB 4.24Å; R35-V73 HydrophobicContact CG-CG2 4.17Å; R35-I76 HydrophobicContact CB-CD1 4.03Å; R35-I76 HydrophobicContact CB-CG1 3.99Å
36A97.3Very high95.5Very high0 Ų09.2 Ų9.20%06%0.056CC..Hα-helixtrans-70.2-45.1-176.300000112.3A32 A33 T38 R39 M40 S314 L751A32-A36 WeakPolarHBondContact O-CB 3.42Å; A32-A36 PolarHBondContact O-N 2.92Å; A33-A36 PolarHBondContact O-N 3.47Å; A36-T38 VanDerWaalsContact C-N 3.3Å; A36-T38 PolarHBondContact O-N 3.27Å; A36-R39 PolarHBondContact O-N 3.22Å; A36-M40 WeakPolarHBondContact O-CB 3.47Å; A36-M40 PolarHBondContact O-N 3.47Å; A36-S314 VanDerWaalsContact CB-O 3.3Å; A36-S314 WeakPolarHBondContact CB-O 3.41Å; A36-L751 HydrophobicContact CB-CD2 4.34Å
37V97.8Very high95.7Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-57.9-45.3174.1-179.60000110.2I18 V20 A33 G41 C114 L161 G317 V321I18-V37 HydrophobicContact CG2-CG1 4.35Å; V20-V37 HydrophobicContact CG1-CB 4.43Å; V20-V37 HydrophobicContact CG1-CG1 4.29Å; V20-V37 HydrophobicContact CG2-CB 4.2Å; V20-V37 HydrophobicContact CG2-CG1 3.43Å; V20-V37 VanDerWaalsContact CG2-CG1 3.43Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.09Å; V37-G41 PolarHBondContact O-N 2.96Å; V37-C114 HydrophobicContact CG1-CB 4.03Å; V37-L161 HydrophobicContact CG2-CD1 4.29Å; V37-G317 WeakPolarHBondContact CG2-O 3.3Å; V37-V321 HydrophobicContact CB-CG2 4.22Å; V37-V321 HydrophobicContact CG1-CG2 3.72Å; V37-V321 WeakPolarHBondContact O-CG2 3.38Å
38T97.7Very high95.8Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-65.1-48.9179.5-57.30000112.8V34 A36 I42 V48 A68 V73V34-T38 VanDerWaalsContact O-CB 3.25Å; V34-T38 WeakPolarHBondContact O-CB 3.3Å; V34-T38 PolarHBondContact O-N 3.43Å; V34-T38 PolarHBondContact O-OG1 2.71Å; A36-T38 VanDerWaalsContact C-N 3.3Å; A36-T38 PolarHBondContact O-N 3.27Å; T38-I42 HydrophobicContact CG2-CD1 3.9Å; T38-I42 WeakPolarHBondContact O-CD1 3.39Å; T38-I42 VanDerWaalsContact O-CG1 3.27Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.33Å; T38-I42 VanDerWaalsContact O-N 3.08Å; T38-V48 HydrophobicContact CG2-CB 4.44Å; T38-V48 HydrophobicContact CG2-CG1 4.29Å; T38-A68 HydrophobicContact CG2-CB 3.59Å; T38-V73 HydrophobicContact CG2-CB 4.49Å; T38-V73 HydrophobicContact CG2-CG1 3.85Å; T38-V73 HydrophobicContact CG2-CG2 3.79Å
39R95.8Very high95.9Very high16 Ų1612.7 Ų12.76%0.067%0.068CC..Hα-helixtrans-66.5-41.8179.8-75.3-172.8174.1-151.7-8.6112R35 A36 I42 Y43 W70 V73 L751R35-R39 HydrophobicContact CG-CG 4.48Å; R35-R39 WeakPolarHBondContact O-CB 3.5Å; R35-R39 WeakPolarHBondContact O-CG 3.44Å; R35-R39 PolarHBondContact O-N 3.45Å; A36-R39 PolarHBondContact O-N 3.22Å; R39-I42 PolarHBondContact O-N 3.13Å; R39-Y43 VanDerWaalsContact O-CB 3.28Å; R39-Y43 WeakPolarHBondContact O-CB 3.24Å; R39-Y43 PolarHBondContact O-N 2.92Å; R39-W70 HydrophobicContact CB-CE3 4.23Å; R39-W70 HydrophobicContact CB-CH2 3.77Å; R39-W70 HydrophobicContact CB-CZ2 4.41Å; R39-W70 HydrophobicContact CB-CZ3 3.68Å; R39-W70 HydrophobicContact CG-CD2 4.14Å; R39-W70 HydrophobicContact CG-CE3 3.95Å; R39-W70 HydrophobicContact CG-CH2 3.87Å; R39-W70 HydrophobicContact CG-CZ2 4.04Å; R39-W70 HydrophobicContact CG-CZ3 3.83Å; R39-W70 WeakPolarHBondContact O-CZ3 3.21Å; R39-V73 HydrophobicContact CG-CG2 3.95Å; R39-L751 HydrophobicContact CB-CD2 3.83Å; R39-L751 WeakPolarHBondContact CD-O 3.41Å; R39-L751 PolarHBondContact NH1-O 3.02Å
40M94.8Very high96Very high1 Ų112.8 Ų12.81%0.0057%0.069CC..Hα-helixtrans-67.4-44.4179.1-173.355.7-17600111.4A36 I42 Y43 V44 M318 V321 M322 M750 M758A36-M40 WeakPolarHBondContact O-CB 3.47Å; A36-M40 PolarHBondContact O-N 3.47Å; M40-I42 VanDerWaalsContact C-N 3.34Å; M40-I42 PolarHBondContact O-N 2.93Å; M40-Y43 WeakPolarHBondContact O-CB 3.4Å; M40-Y43 PolarHBondContact O-N 3.03Å; M40-Y43 VanDerWaalsContact O-N 3.09Å; M40-Y43 HydrophobicContact SD-CD1 4.43Å; M40-V44 HydrophobicContact CE-CG1 3.55Å; M40-V44 VanDerWaalsContact O-CG2 3.26Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 3.4Å; M40-V44 VanDerWaalsContact O-N 3.1Å; M40-V44 HydrophobicContact SD-CG1 4.1Å; M40-M318 HydrophobicContact CB-CG 4.1Å; M40-M318 HydrophobicContact CE-CE 4.43Å; M40-M318 HydrophobicContact CG-CB 4.31Å; M40-M318 HydrophobicContact CG-CG 4.19Å; M40-M318 HydrophobicContact SD-CE 3.89Å; M40-V321 HydrophobicContact CB-CB 4.21Å; M40-V321 HydrophobicContact CB-CG1 4.39Å; M40-V321 HydrophobicContact CB-CG2 4.07Å; M40-V321 HydrophobicContact CG-CB 3.83Å; M40-V321 HydrophobicContact CG-CG1 3.87Å; M40-V321 HydrophobicContact CG-CG2 4.26Å; M40-M322 HydrophobicContact CE-CG 4.16Å; M40-M322 HydrophobicContact CE-SD 3.4Å; M40-M322 WeakPolarHBondContact CE-SD 3.42Å; M40-M750 HydrophobicContact CE-CE 3.51Å; M40-M750 HydrophobicContact SD-CE 3.57Å; M40-M750 VanDerWaalsContact SD-CE 3.57Å; M40-M758 HydrophobicContact CE-CE 4.08Å
41G94.8Very high96Very high0 Ų012.7 Ų12.70%07%0.068CC..Hα-helixtrans-58.3-42.517500000113V37 V44 G45 A46V37-G41 PolarHBondContact O-N 2.96Å; G41-V44 WeakPolarHBondContact O-CG2 3.38Å; G41-G45 PolarHBondContact O-N 2.81Å; G41-A46 WeakPolarHBondContact O-CA 3.4Å; G41-A46 WeakPolarHBondContact O-CB 3.24Å; G41-A46 PolarHBondContact O-N 3.25Å
42I94.1Very high96Very high47 Ų4715.5 Ų15.524%0.2418%0.079CC..Hα-helixtrans-67.8-38.4174.2-66.3167.5000111.5T38 R39 M40 V44 G45 V48 N69 W70T38-I42 HydrophobicContact CG2-CD1 3.9Å; T38-I42 WeakPolarHBondContact O-CD1 3.39Å; T38-I42 VanDerWaalsContact O-CG1 3.27Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.33Å; T38-I42 VanDerWaalsContact O-N 3.08Å; R39-I42 PolarHBondContact O-N 3.13Å; M40-I42 VanDerWaalsContact C-N 3.34Å; M40-I42 PolarHBondContact O-N 2.93Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.32Å; I42-G45 PolarHBondContact O-N 3.44Å; I42-V48 HydrophobicContact CG1-CG2 4.2Å; I42-N69 VanDerWaalsContact CD1-C 3.5Å; I42-W70 HydrophobicContact CB-CE3 4.38Å; I42-W70 HydrophobicContact CG2-CE3 4.1Å
43Y90.8Very high96Very high15 Ų1519 Ų196%0.05910%0.096CC..Hα-helixtrans-61.2-38.5-178.9-172.4-95.1000112.9R39 M40 G45 M750 Y754R39-Y43 VanDerWaalsContact O-CB 3.28Å; R39-Y43 WeakPolarHBondContact O-CB 3.24Å; R39-Y43 PolarHBondContact O-N 2.92Å; M40-Y43 WeakPolarHBondContact O-CB 3.4Å; M40-Y43 PolarHBondContact O-N 3.03Å; M40-Y43 VanDerWaalsContact O-N 3.09Å; M40-Y43 HydrophobicContact SD-CD1 4.43Å; Y43-G45 VanDerWaalsContact C-N 3.35Å; Y43-M750 HydrophobicContact CD1-CE 4.08Å; Y43-M750 HydrophobicContact CE1-CE 3.94Å; Y43-M750 HydrophobicContact CE1-CG 4.11Å; Y43-Y754 VanDerWaalsContact CE2-O 3.24Å; Y43-Y754 WeakPolarHBondContact CE2-O 3.22Å; Y43-Y754 PolarHBondContact OH-O 2.78Å
44V89.8Confident95.9Very high0 Ų019 Ų190%010%0.096CC..THydrogen-bonded Turntrans-919.5179.2-54.20000114L9 R10 G13 M40 G41 I42 V321 L325L9-V44 HydrophobicContact CD2-CB 4.4Å; L9-V44 HydrophobicContact CD2-CG1 3.59Å; R10-V44 CarbonylContact C-O 3.46Å; R10-V44 CarbonylContact O-C 3.35Å; R10-V44 VanDerWaalsContact O-O 3.12Å; G13-V44 VanDerWaalsContact CA-O 3.24Å; G13-V44 WeakPolarHBondContact CA-O 3.24Å; G13-V44 PolarHBondContact N-O 2.95Å; M40-V44 HydrophobicContact CE-CG1 3.55Å; M40-V44 VanDerWaalsContact O-CG2 3.26Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 3.4Å; M40-V44 VanDerWaalsContact O-N 3.1Å; M40-V44 HydrophobicContact SD-CG1 4.1Å; G41-V44 WeakPolarHBondContact O-CG2 3.38Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.32Å; V44-V321 HydrophobicContact CG2-CG1 4.1Å; V44-L325 HydrophobicContact CB-CD1 4.15Å; V44-L325 HydrophobicContact CG2-CD1 3.43Å; V44-L325 VanDerWaalsContact CG2-CD1 3.43Å
45G90.4Very high95.9Very high37 Ų3719.8 Ų19.838%0.38110%0.098SC..THydrogen-bonded Turntrans85.66.4171.600000116.4G41 I42 Y43G41-G45 PolarHBondContact O-N 2.81Å; I42-G45 PolarHBondContact O-N 3.44Å; Y43-G45 VanDerWaalsContact C-N 3.35Å
46A93.9Very high95.8Very high7 Ų722.1 Ų22.16%0.05811%0.11CC..PPolyproline II helixtrans-79.4150.2175.600000112.4G13 I18 G41G13-A46 VanDerWaalsContact O-CA 3.24Å; G13-A46 WeakPolarHBondContact O-CA 3.49Å; I18-A46 HydrophobicContact CD1-CB 3.93Å; I18-A46 HydrophobicContact CG1-CB 4.33Å; G41-A46 WeakPolarHBondContact O-CA 3.4Å; G41-A46 WeakPolarHBondContact O-CB 3.24Å; G41-A46 PolarHBondContact O-N 3.25Å
47K96.8Very high95.8Very high123 Ų12322.1 Ų22.154%0.53511%0.11SC..EExtended strand (participates in β ladder)trans-78.6120.9167.2-64.4-179.9-176.3175.50108.7K16 A17 I18 F49K16-K47 PolarHBondContact O-N 2.8Å; A17-K47 CarbonylContact C-O 3.55Å; A17-K47 WeakPolarHBondContact CA-O 3.4Å; A17-K47 HydrophobicContact CB-CB 4.14Å; I18-K47 PolarHBondContact N-O 3.31Å; K47-F49 HydrophobicContact CB-CE2 3.97Å
48V98Very high95.7Very high1 Ų122.1 Ų22.11%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-101.3140175.2-172.70000110.3I18 V20 T38 I42 Q67 A68I18-V48 CarbonylContact O-C 3.5Å; I18-V48 WeakPolarHBondContact O-CA 3.34Å; V20-V48 HydrophobicContact CG2-CG1 3.74Å; T38-V48 HydrophobicContact CG2-CB 4.44Å; T38-V48 HydrophobicContact CG2-CG1 4.29Å; I42-V48 HydrophobicContact CG1-CG2 4.2Å; V48-Q67 CarbonylContact O-C 3.52Å; V48-A68 HydrophobicContact CB-CB 4.34Å; V48-A68 HydrophobicContact CG1-CB 4.49Å; V48-A68 PolarHBondContact O-N 3.39Å
49F98.5Very high95.6Very high8 Ų823 Ų234%0.03512%0.115CC..EExtended strand (participates in β ladder)trans-121.1132174.6-67.5-96.8000110.4A17 I18 G19 V20 K47 I65 Q66 Q67 R108 I110A17-F49 HydrophobicContact CB-CD2 4.29Å; A17-F49 HydrophobicContact CB-CE2 3.93Å; I18-F49 PolarHBondContact O-N 3.03Å; G19-F49 CarbonylContact C-O 3.38Å; G19-F49 WeakPolarHBondContact CA-O 3.36Å; V20-F49 PolarHBondContact N-O 3.15Å; K47-F49 HydrophobicContact CB-CE2 3.97Å; F49-I65 HydrophobicContact CB-CG2 4.08Å; F49-I65 HydrophobicContact CD1-CG2 4.08Å; F49-I65 HydrophobicContact CG-CG2 4.37Å; F49-Q66 CarbonylContact C-O 3.59Å; F49-Q66 VanDerWaalsContact CA-O 3.22Å; F49-Q66 WeakPolarHBondContact CA-O 3.44Å; F49-Q67 HydrophobicContact CD1-CB 3.91Å; F49-Q67 HydrophobicContact CD1-CG 4.44Å; F49-Q67 HydrophobicContact CE1-CB 3.63Å; F49-Q67 HydrophobicContact CE1-CG 4.08Å; F49-Q67 HydrophobicContact CZ-CB 4.18Å; F49-Q67 HydrophobicContact CZ-CG 4.14Å; F49-R108 HydrophobicContact CE1-CB 4.27Å; F49-R108 HydrophobicContact CE1-CG 4.42Å; F49-R108 HydrophobicContact CZ-CB 4.25Å; F49-I110 HydrophobicContact CB-CD1 3.8Å; F49-I110 HydrophobicContact CD1-CD1 4.31Å; F49-I110 HydrophobicContact CD2-CD1 3.69Å; F49-I110 HydrophobicContact CD2-CG1 3.72Å; F49-I110 HydrophobicContact CE2-CD1 4.34Å; F49-I110 HydrophobicContact CE2-CG1 4.07Å; F49-I110 HydrophobicContact CG-CD1 3.68Å; F49-I110 HydrophobicContact CG-CG1 4.24Å
50L98.4Very high95.7Very high3 Ų328 Ų282%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-87.9128168.2-61.7179000108.4V34 Y52 I65 Q66 A68 I84V34-L50 HydrophobicContact CG1-CD2 3.73Å; L50-Y52 HydrophobicContact CB-CE2 3.94Å; L50-I65 WeakPolarHBondContact O-CA 3.4Å; L50-Q66 PolarHBondContact N-O 3.4Å; L50-Q66 PolarHBondContact O-N 3.24Å; L50-A68 HydrophobicContact CD1-CB 4.43Å; L50-A68 HydrophobicContact CG-CB 4.07Å; L50-I84 HydrophobicContact CB-CG2 4.08Å; L50-I84 HydrophobicContact CD1-CG2 4.05Å; L50-I84 HydrophobicContact CD2-CG2 4.27Å; L50-I84 HydrophobicContact CG-CG2 4.34Å
51I98.3Very high95.6Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-107.3112.4177.7-61.2154.6000107.2V20 L21 G54 L58 N64 I65 L105 L113V20-I51 PolarHBondContact O-N 3.38Å; L21-I51 HydrophobicContact CB-CB 3.81Å; L21-I51 HydrophobicContact CB-CD1 4.23Å; L21-I51 HydrophobicContact CB-CG2 4.01Å; L21-I51 HydrophobicContact CD2-CD1 4.43Å; L21-I51 HydrophobicContact CD2-CG2 4.46Å; I51-G54 WeakPolarHBondContact CG2-O 3.38Å; I51-L58 HydrophobicContact CD1-CD1 4.07Å; I51-L58 HydrophobicContact CG2-CB 3.98Å; I51-L58 HydrophobicContact CG2-CD1 4.25Å; I51-N64 CarbonylContact C-O 3.47Å; I51-N64 VanDerWaalsContact CA-O 3.3Å; I51-N64 WeakPolarHBondContact CA-O 3.08Å; I51-I65 HydrophobicContact CG1-CG1 4.32Å; I51-I65 HydrophobicContact CG1-CG2 4.25Å; I51-L105 HydrophobicContact CD1-CD2 4.44Å; I51-L113 HydrophobicContact CD1-CD1 3.52Å
52Y97.8Very high95.6Very high59 Ų5930.5 Ų30.523%0.23117%0.166CC..THydrogen-bonded Turntrans-79.6153-176.5-71.6-96.5000111.6L50 G54 G57 N64 Q66 I84L50-Y52 HydrophobicContact CB-CE2 3.94Å; Y52-G54 PolarHBondContact O-N 2.86Å; Y52-G57 WeakPolarHBondContact O-CA 3.35Å; Y52-G57 PolarHBondContact O-N 2.95Å; Y52-N64 PolarHBondContact N-O 3.01Å; Y52-Q66 HydrophobicContact CD2-CG 4.28Å; Y52-Q66 HydrophobicContact CE2-CB 4.15Å; Y52-Q66 HydrophobicContact CE2-CG 3.86Å; Y52-I84 CarbonylContact C-O 3.55Å; Y52-I84 WeakPolarHBondContact CA-O 3.33Å; Y52-I84 HydrophobicContact CD1-CB 4.13Å; Y52-I84 HydrophobicContact CD1-CG2 4.42Å; Y52-I84 HydrophobicContact CE1-CB 4.24Å; Y52-I84 HydrophobicContact CE1-CG2 4.05Å
53E96.8Very high95.5Very high74 Ų7436.2 Ų36.235%0.34619%0.191SC..THydrogen-bonded Turntrans53.123.4-179.9-56-46.8137.700115.5Y55 E56 I84 G85 S86 A87E53-Y55 PolarHBondContact O-N 3.31Å; E53-E56 HydrophobicContact CB-CB 4.37Å; E53-E56 PolarHBondContact O-N 3.04Å; E53-I84 PolarHBondContact N-O 3.06Å; E53-G85 WeakPolarHBondContact OE1-CA 3.15Å; E53-S86 PolarHBondContact OE2-N 2.91Å; E53-S86 VanDerWaalsContact OE2-N 3.1Å; E53-A87 HydrophobicContact CB-CB 3.89Å; E53-A87 WeakPolarHBondContact O-CB 3.13Å; E53-A87 PolarHBondContact O-N 2.91Å
54G96.3Very high95.8Very high0 Ų037.4 Ų37.40%020%0.198CC..BIsolated β-bridgetrans66-122.917500000113.1T22 I51 Y52 E56 L58T22-G54 WeakPolarHBondContact O-CA 3.21Å; I51-G54 WeakPolarHBondContact CG2-O 3.38Å; Y52-G54 PolarHBondContact O-N 2.86Å; G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 3.32Å; G54-L58 PolarHBondContact O-N 3.09Å
55Y97.3Very high96.2Very high15 Ų1537.4 Ų37.46%0.05920%0.199CC..Hα-helixtrans-73.5-20.1179.2-73.8-59.1000113.4L21 S23 E53 L58 V59 F92 S121 A125L21-Y55 HydrophobicContact CD2-CD1 4.16Å; L21-Y55 HydrophobicContact CD2-CE1 4.05Å; S23-Y55 VanDerWaalsContact OG-CD2 3.32Å; S23-Y55 WeakPolarHBondContact OG-CD2 3Å; E53-Y55 PolarHBondContact O-N 3.31Å; Y55-L58 HydrophobicContact CD1-CD2 3.83Å; Y55-L58 HydrophobicContact CE1-CD2 4.22Å; Y55-V59 WeakPolarHBondContact O-CG2 3.35Å; Y55-V59 PolarHBondContact O-N 3.28Å; Y55-F92 AromaticContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD2 4.07Å; Y55-F92 AromaticContact CD1-CE1 3.48Å; Y55-F92 HydrophobicContact CD1-CE1 3.48Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.48Å; Y55-F92 AromaticContact CD1-CE2 3.9Å; Y55-F92 HydrophobicContact CD1-CE2 3.9Å; Y55-F92 AromaticContact CD1-CG 3.96Å; Y55-F92 HydrophobicContact CD1-CG 3.96Å; Y55-F92 AromaticContact CD1-CZ 3.59Å; Y55-F92 HydrophobicContact CD1-CZ 3.59Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 HydrophobicContact CE1-CD1 4.03Å; Y55-F92 AromaticContact CE1-CE1 3.39Å; Y55-F92 HydrophobicContact CE1-CE1 3.39Å; Y55-F92 HydrophobicContact CE1-CE2 4.26Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE2-CE1 4.5Å; Y55-F92 AromaticContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CE1 4.12Å; Y55-F92 HydrophobicContact CG-CG 4.14Å; Y55-F92 AromaticContact CZ-CE1 3.94Å; Y55-S121 PolarHBondContact OH-O 2.69Å; Y55-A125 WeakPolarHBondContact OH-CA 3.38Å; Y55-A125 WeakPolarHBondContact OH-CB 3.37Å; Y55-A125 PolarHBondContact OH-N 2.86Å; Y55-A125 VanDerWaalsContact OH-N 3.15Å
56E96.7Very high96.5Very high58 Ų5840 Ų4027%0.27120%0.201SC..Hα-helixtrans-69.8-55.7178.7-165.572.3178.600109.7E53 G54 L58 V59 E60 A87 C89E53-E56 HydrophobicContact CB-CB 4.37Å; E53-E56 PolarHBondContact O-N 3.04Å; G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 3.32Å; E56-L58 PolarHBondContact O-N 3.02Å; E56-V59 WeakPolarHBondContact O-CA 3.27Å; E56-V59 PolarHBondContact O-N 2.74Å; E56-E60 HydrophobicContact CG-CG 4.49Å; E56-E60 PolarHBondContact O-N 2.93Å; E56-A87 HydrophobicContact CB-CB 3.86Å; E56-C89 HydrophobicContact CB-CB 4.29Å; E56-C89 WeakPolarHBondContact OE2-CA 3.35Å; E56-C89 VanDerWaalsContact OE2-CB 3.25Å; E56-C89 WeakPolarHBondContact OE2-CB 3.47Å; E56-C89 PolarHBondContact OE2-SG 2.92Å
57G96.4Very high96.7Very high0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-65.5-20.7176.800000114.3Y52 G61 N64Y52-G57 WeakPolarHBondContact O-CA 3.35Å; Y52-G57 PolarHBondContact O-N 2.95Å; G57-G61 WeakPolarHBondContact O-CA 3.3Å; G57-G61 PolarHBondContact O-N 2.92Å; G57-N64 WeakPolarHBondContact O-CB 3.48Å
58L96Very high96.7Very high0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-64.9-40167.7-172.268.1000112.2L21 I51 G54 Y55 E56 I65 F92 A101 N104 L105 F128L21-L58 HydrophobicContact CD2-CD2 4.27Å; I51-L58 HydrophobicContact CD1-CD1 4.07Å; I51-L58 HydrophobicContact CG2-CB 3.98Å; I51-L58 HydrophobicContact CG2-CD1 4.25Å; G54-L58 PolarHBondContact O-N 3.09Å; Y55-L58 HydrophobicContact CD1-CD2 3.83Å; Y55-L58 HydrophobicContact CE1-CD2 4.22Å; E56-L58 PolarHBondContact O-N 3.02Å; L58-I65 HydrophobicContact CD1-CD1 4.37Å; L58-F92 HydrophobicContact CD2-CD2 4.47Å; L58-F92 HydrophobicContact CD2-CE2 3.77Å; L58-F92 HydrophobicContact CD2-CZ 4.26Å; L58-A101 HydrophobicContact CD2-CB 3.94Å; L58-A101 HydrophobicContact CG-CB 3.75Å; L58-N104 PolarHBondContact O-ND2 2.79Å; L58-L105 HydrophobicContact CD1-CD1 4.09Å; L58-L105 HydrophobicContact CD1-CD2 3.58Å; L58-L105 HydrophobicContact CD1-CG 3.78Å; L58-F128 HydrophobicContact CD2-CE1 4.31Å
59V96.8Very high96.5Very high20 Ų2043.4 Ų43.412%0.12122%0.221CC..Hα-helixtrans-78.1-41.8177.2176.90000111.4Y55 E56 A91 F92 T100 A101 N104Y55-V59 WeakPolarHBondContact O-CG2 3.35Å; Y55-V59 PolarHBondContact O-N 3.28Å; E56-V59 WeakPolarHBondContact O-CA 3.27Å; E56-V59 PolarHBondContact O-N 2.74Å; V59-A91 HydrophobicContact CG1-CB 4.02Å; V59-F92 HydrophobicContact CG2-CB 4.09Å; V59-F92 HydrophobicContact CG2-CD2 3.84Å; V59-F92 HydrophobicContact CG2-CG 4.48Å; V59-T100 HydrophobicContact CG1-CG2 4.38Å; V59-T100 VanDerWaalsContact O-CG2 3.31Å; V59-T100 WeakPolarHBondContact O-CG2 3.39Å; V59-A101 HydrophobicContact CG2-CB 4.19Å; V59-N104 PolarHBondContact O-ND2 3.27Å
60E96.3Very high96.1Very high120 Ų12044.4 Ų44.456%0.56123%0.225SC*.Hα-helixtrans-66.9-36.2177.6-66-177.6151.200112.3E56 N64E56-E60 HydrophobicContact CG-CG 4.49Å; E56-E60 PolarHBondContact O-N 2.93Å; E60-N64 WeakPolarHBondContact CB-ND2 3.49Å; E60-N64 PolarHBondContact OE2-ND2 2.71Å
61G94.2Very high95.7Very high2 Ų247.1 Ų47.12%0.02124%0.239CC..  trans67.3-142178.700000113G57 E63 N64 N104G57-G61 WeakPolarHBondContact O-CA 3.3Å; G57-G61 PolarHBondContact O-N 2.92Å; G61-E63 PolarHBondContact O-N 3.07Å; G61-N64 WeakPolarHBondContact O-CB 3.38Å; G61-N64 PolarHBondContact O-N 2.93Å; G61-N104 WeakPolarHBondContact CA-ND2 3.18Å; G61-N104 PolarHBondContact N-ND2 3.39Å
62G93.3Very high95.5Very high52 Ų5249.2 Ų49.254%0.53625%0.254SS..G310 helixtrans56.5-121.5174.400000113.6N64 I65 R108G62-N64 VanDerWaalsContact C-N 3.27Å; G62-N64 PolarHBondContact O-N 3.29Å; G62-I65 PolarHBondContact O-N 2.71Å; G62-R108 PolarHBondContact O-NH2 3.25Å
63E92.4Very high95.3Very high167 Ų16746.4 Ų46.478%0.7824%0.243SC*.G310 helixtrans-71.3-16.2178.8-62.4-167.1161.400113.8G61 I65 Q66G61-E63 PolarHBondContact O-N 3.07Å; E63-I65 PolarHBondContact O-N 3.2Å; E63-Q66 WeakPolarHBondContact O-CG 3.47Å; E63-Q66 PolarHBondContact O-NE2 3.3Å
64N96.8Very high95Very high39 Ų3944.1 Ų44.121%0.20924%0.235CC..G310 helixtrans-77.1-7.6176.2-65.7-51.7000113.5I51 Y52 G57 E60 G61 G62I51-N64 CarbonylContact C-O 3.47Å; I51-N64 VanDerWaalsContact CA-O 3.3Å; I51-N64 WeakPolarHBondContact CA-O 3.08Å; Y52-N64 PolarHBondContact N-O 3.01Å; G57-N64 WeakPolarHBondContact O-CB 3.48Å; E60-N64 WeakPolarHBondContact CB-ND2 3.49Å; E60-N64 PolarHBondContact OE2-ND2 2.71Å; G61-N64 WeakPolarHBondContact O-CB 3.38Å; G61-N64 PolarHBondContact O-N 2.93Å; G62-N64 VanDerWaalsContact C-N 3.27Å; G62-N64 PolarHBondContact O-N 3.29Å
65I97.8Very high94.6Very high1 Ų146.7 Ų46.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-119.688.6176.7-52.9-178.3000108.9F49 L50 I51 L58 G62 E63 N104 R108 I110F49-I65 HydrophobicContact CB-CG2 4.08Å; F49-I65 HydrophobicContact CD1-CG2 4.08Å; F49-I65 HydrophobicContact CG-CG2 4.37Å; L50-I65 WeakPolarHBondContact O-CA 3.4Å; I51-I65 HydrophobicContact CG1-CG1 4.32Å; I51-I65 HydrophobicContact CG1-CG2 4.25Å; L58-I65 HydrophobicContact CD1-CD1 4.37Å; G62-I65 PolarHBondContact O-N 2.71Å; E63-I65 PolarHBondContact O-N 3.2Å; I65-N104 HydrophobicContact CD1-CB 3.93Å; I65-R108 HydrophobicContact CG2-CG 4.11Å; I65-R108 PolarHBondContact O-NH2 3.39Å; I65-I110 HydrophobicContact CG2-CD1 3.92Å
66Q97.6Very high94.5Very high92 Ų9246.5 Ų46.543%0.4325%0.249SC..EExtended strand (participates in β ladder)trans-103.4134.9-172.2-54.2-167.59.600111.8F49 L50 Y52 E63 A68F49-Q66 CarbonylContact C-O 3.59Å; F49-Q66 VanDerWaalsContact CA-O 3.22Å; F49-Q66 WeakPolarHBondContact CA-O 3.44Å; L50-Q66 PolarHBondContact N-O 3.4Å; L50-Q66 PolarHBondContact O-N 3.24Å; Y52-Q66 HydrophobicContact CD2-CG 4.28Å; Y52-Q66 HydrophobicContact CE2-CB 4.15Å; Y52-Q66 HydrophobicContact CE2-CG 3.86Å; E63-Q66 WeakPolarHBondContact O-CG 3.47Å; E63-Q66 PolarHBondContact O-NE2 3.3Å; Q66-A68 PolarHBondContact O-N 3.1Å
67Q97.4Very high94.4Very high113 Ų11344 Ų4453%0.52824%0.237SC..EExtended strand (participates in β ladder)trans-70.3121.9174.6-167.8-179.5-26.300109.9V48 F49V48-Q67 CarbonylContact O-C 3.52Å; F49-Q67 HydrophobicContact CD1-CB 3.91Å; F49-Q67 HydrophobicContact CD1-CG 4.44Å; F49-Q67 HydrophobicContact CE1-CB 3.63Å; F49-Q67 HydrophobicContact CE1-CG 4.08Å; F49-Q67 HydrophobicContact CZ-CB 4.18Å; F49-Q67 HydrophobicContact CZ-CG 4.14Å
68A96.8Very high94.3Very high8 Ų845.2 Ų45.27%0.06624%0.242CC..PPolyproline II helixtrans-78.1151.1178.100000111.9T38 V48 L50 Q66T38-A68 HydrophobicContact CG2-CB 3.59Å; V48-A68 HydrophobicContact CB-CB 4.34Å; V48-A68 HydrophobicContact CG1-CB 4.49Å; V48-A68 PolarHBondContact O-N 3.39Å; L50-A68 HydrophobicContact CD1-CB 4.43Å; L50-A68 HydrophobicContact CG-CB 4.07Å; Q66-A68 PolarHBondContact O-N 3.1Å
69N94.1Very high94.3Very high81 Ų8148.8 Ų48.843%0.43326%0.261SS..  trans-123.6-179.3162.167.251.9000109.6I42 L71 S72I42-N69 VanDerWaalsContact CD1-C 3.5Å; N69-L71 PolarHBondContact O-N 3.09Å; N69-L71 WeakPolarHBondContact OD1-CA 3.46Å; N69-L71 WeakPolarHBondContact OD1-CB 3.43Å; N69-L71 PolarHBondContact OD1-N 2.9Å; N69-S72 PolarHBondContact N-OG 3.32Å; N69-S72 WeakPolarHBondContact O-CB 3.39Å; N69-S72 PolarHBondContact O-N 3.23Å; N69-S72 PolarHBondContact O-OG 3.15Å; N69-S72 PolarHBondContact OD1-N 3.01Å; N69-S72 VanDerWaalsContact OD1-N 3.17Å; N69-S72 PolarHBondContact OD1-OG 2.9Å
70W90.1Very high94.1Very high29 Ų2949.4 Ų49.411%0.1127%0.271CS..THydrogen-bonded Turntrans-63.6-24.2-176.8-164.8-95.9000114.1R39 I42 L751 Q753R39-W70 HydrophobicContact CB-CE3 4.23Å; R39-W70 HydrophobicContact CB-CH2 3.77Å; R39-W70 HydrophobicContact CB-CZ2 4.41Å; R39-W70 HydrophobicContact CB-CZ3 3.68Å; R39-W70 HydrophobicContact CG-CD2 4.14Å; R39-W70 HydrophobicContact CG-CE3 3.95Å; R39-W70 HydrophobicContact CG-CH2 3.87Å; R39-W70 HydrophobicContact CG-CZ2 4.04Å; R39-W70 HydrophobicContact CG-CZ3 3.83Å; R39-W70 WeakPolarHBondContact O-CZ3 3.21Å; I42-W70 HydrophobicContact CB-CE3 4.38Å; I42-W70 HydrophobicContact CG2-CE3 4.1Å; W70-L751 VanDerWaalsContact CZ2-O 3.3Å; W70-L751 WeakPolarHBondContact CZ2-O 3.38Å; W70-Q753 HydrophobicContact CE3-CG 4.45Å; W70-Q753 HydrophobicContact CH2-CB 3.76Å; W70-Q753 HydrophobicContact CH2-CG 3.98Å; W70-Q753 HydrophobicContact CZ2-CB 3.53Å; W70-Q753 HydrophobicContact CZ2-CG 4.07Å; W70-Q753 HydrophobicContact CZ3-CB 4.44Å; W70-Q753 HydrophobicContact CZ3-CG 4.16Å
71L90.5Very high94Very high59 Ų5944.2 Ų44.231%0.30925%0.25SS..THydrogen-bonded Turntrans-80.5-33.1178.1-51.7171.6000111.8N69 V73 S74 D618 I619N69-L71 PolarHBondContact O-N 3.09Å; N69-L71 WeakPolarHBondContact OD1-CA 3.46Å; N69-L71 WeakPolarHBondContact OD1-CB 3.43Å; N69-L71 PolarHBondContact OD1-N 2.9Å; L71-V73 PolarHBondContact O-N 2.91Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 2.89Å; L71-D618 HydrophobicContact CD1-CB 4.17Å; L71-D618 WeakPolarHBondContact CD1-OD2 3.38Å; L71-I619 HydrophobicContact CD2-CD1 3.76Å; L71-I619 HydrophobicContact CD2-CG1 3.34Å
72S93.1Very high94.1Very high45 Ų4545.4 Ų45.432%0.31526%0.257SS..THydrogen-bonded Turntrans-53.6-28.5-179-52.80000113.8N69N69-S72 PolarHBondContact N-OG 3.32Å; N69-S72 WeakPolarHBondContact O-CB 3.39Å; N69-S72 PolarHBondContact O-N 3.23Å; N69-S72 PolarHBondContact O-OG 3.15Å; N69-S72 PolarHBondContact OD1-N 3.01Å; N69-S72 VanDerWaalsContact OD1-N 3.17Å; N69-S72 PolarHBondContact OD1-OG 2.9Å
73V94Very high94.3Very high0 Ų045.7 Ų45.70%025%0.246CC..THydrogen-bonded Turntrans-114.924.4177.3-63.20000113.1V34 R35 T38 R39 L71 I76V34-V73 HydrophobicContact CG1-CG1 4.2Å; R35-V73 HydrophobicContact CB-CB 4.13Å; R35-V73 HydrophobicContact CB-CG2 4.46Å; R35-V73 HydrophobicContact CG-CB 4.24Å; R35-V73 HydrophobicContact CG-CG2 4.17Å; T38-V73 HydrophobicContact CG2-CB 4.49Å; T38-V73 HydrophobicContact CG2-CG1 3.85Å; T38-V73 HydrophobicContact CG2-CG2 3.79Å; R39-V73 HydrophobicContact CG-CG2 3.95Å; L71-V73 PolarHBondContact O-N 2.91Å; V73-I76 HydrophobicContact CB-CD1 3.79Å; V73-I76 HydrophobicContact CB-CG1 4.3Å; V73-I76 HydrophobicContact CG1-CD1 3.86Å
74S90.2Very high94.5Very high26 Ų2637.8 Ų37.818%0.18221%0.209CC..SBendtrans-76.5138.8173.2-168.20000110.5L71 I76 R621L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 2.89Å; S74-I76 PolarHBondContact O-N 2.74Å; S74-R621 PolarHBondContact OG-NH2 3.33Å
75N88.8Confident94.4Very high54 Ų5436.5 Ų36.529%0.28921%0.205SC..SBendtrans66.72.8178.5-134.127.1000117.8Q78 R621N75-Q78 VanDerWaalsContact CG-NE2 3.32Å; N75-Q78 PolarHBondContact O-NE2 2.94Å; N75-Q78 PolarHBondContact O-OE1 3.05Å; N75-Q78 PolarHBondContact OD1-NE2 3.44Å; N75-R621 VanDerWaalsContact OD1-CZ 3.25Å; N75-R621 PolarHBondContact OD1-NE 2.81Å; N75-R621 PolarHBondContact OD1-NH2 2.81Å
76I94.8Very high94.2Very high11 Ų1138.2 Ų38.26%0.05622%0.217CC..  trans-83.3-15.1-175.771.8172.1000114.5N31 V34 R35 V73 S74 Q78 L79 I83N31-I76 HydrophobicContact CB-CB 4.23Å; N31-I76 HydrophobicContact CB-CD1 4.3Å; N31-I76 HydrophobicContact CB-CG1 4.24Å; N31-I76 VanDerWaalsContact CB-O 3.25Å; N31-I76 WeakPolarHBondContact CB-O 3.35Å; N31-I76 VanDerWaalsContact O-CD1 3.31Å; N31-I76 WeakPolarHBondContact O-CD1 3.31Å; V34-I76 HydrophobicContact CG1-CD1 4.36Å; R35-I76 HydrophobicContact CB-CD1 4.03Å; R35-I76 HydrophobicContact CB-CG1 3.99Å; V73-I76 HydrophobicContact CB-CD1 3.79Å; V73-I76 HydrophobicContact CB-CG1 4.3Å; V73-I76 HydrophobicContact CG1-CD1 3.86Å; S74-I76 PolarHBondContact O-N 2.74Å; I76-Q78 PolarHBondContact O-N 3.4Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-L79 HydrophobicContact CB-CD1 4.26Å; I76-L79 HydrophobicContact CG2-CD1 4.24Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.24Å; I76-I83 HydrophobicContact CB-CG1 4.43Å; I76-I83 HydrophobicContact CB-CG2 4.33Å; I76-I83 HydrophobicContact CD1-CD1 3.9Å; I76-I83 HydrophobicContact CD1-CG1 3.86Å; I76-I83 HydrophobicContact CG2-CD1 4.08Å; I76-I83 HydrophobicContact CG2-CG1 4.14Å; I76-I83 HydrophobicContact CG2-CG2 4.05Å
77I95.4Very high93.9Very high4 Ų435.3 Ų35.32%0.02121%0.209CC..THydrogen-bonded Turntrans-59.9-29.3-171.8-164.2173.2000113.9A32 R310 I585 A586A32-I77 HydrophobicContact CB-CG1 3.88Å; I77-R310 HydrophobicContact CG1-CB 4.39Å; I77-R310 HydrophobicContact CG1-CG 4.36Å; I77-I585 WeakPolarHBondContact CD1-O 3.14Å; I77-A586 WeakPolarHBondContact CD1-O 3.46Å
78Q94.4Very high93.5Very high26 Ų2641.7 Ų41.712%0.12123%0.228CC..THydrogen-bonded Turntrans-92.9-1.9177.771-90.37.500114.6N75 I76 T304 D553N75-Q78 VanDerWaalsContact CG-NE2 3.32Å; N75-Q78 PolarHBondContact O-NE2 2.94Å; N75-Q78 PolarHBondContact O-OE1 3.05Å; N75-Q78 PolarHBondContact OD1-NE2 3.44Å; I76-Q78 PolarHBondContact O-N 3.4Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-T304 WeakPolarHBondContact O-CG2 3.23Å; Q78-D553 WeakPolarHBondContact CB-OD2 3.43Å
79L95.2Very high93.3Very high76 Ų7642.3 Ų42.340%0.39823%0.232SC..  trans-85.4137.8-176.6-58.1-179.2000110.9N31 I76 I83N31-L79 PolarHBondContact ND2-O 2.94Å; I76-L79 HydrophobicContact CB-CD1 4.26Å; I76-L79 HydrophobicContact CG2-CD1 4.24Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.24Å; L79-I83 HydrophobicContact CD1-CG2 3.85Å
80G93.6Very high93.1Very high32 Ų3247 Ų4733%0.3325%0.248SC..SBendtrans-70.3170.3169.100000113N31 G303N31-G80 PolarHBondContact ND2-O 3.47Å; G80-G303 WeakPolarHBondContact CA-O 3.4Å
81G94.1Very high93.2Very high11 Ų1147.4 Ų47.411%0.11326%0.258CS..SBendtrans57.6-141.7-178.900000113.3D26 N31D26-G81 WeakPolarHBondContact OD2-CA 3.42Å; N31-G81 PolarHBondContact ND2-O 2.64Å; N31-G81 VanDerWaalsContact ND2-O 3.08Å
82T95.9Very high93.4Very high27 Ų2745.3 Ų45.317%0.16625%0.247CC..  trans-135130176.3172.70000111.6T22 N31 I84 G85T22-T82 WeakPolarHBondContact OG1-CB 3.49Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.49Å; T22-T82 PolarHBondContact OG1-OG1 2.96Å; N31-T82 WeakPolarHBondContact OD1-CA 3.38Å; T82-I84 VanDerWaalsContact C-N 3.25Å; T82-I84 PolarHBondContact O-N 3.2Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.45Å; T82-I84 PolarHBondContact OG1-N 3.39Å; T82-G85 VanDerWaalsContact CG2-O 3.3Å; T82-G85 WeakPolarHBondContact CG2-O 3.15Å; T82-G85 PolarHBondContact O-N 3.17Å
83I96.7Very high93.3Very high59 Ų5948.1 Ų48.130%0.30326%0.262SS..THydrogen-bonded Turntrans-75.1-10.617759.7119.1000114N31 I76 L79N31-I83 VanDerWaalsContact OD1-CG1 3.32Å; N31-I83 WeakPolarHBondContact OD1-CG1 3.31Å; N31-I83 WeakPolarHBondContact OD1-CG2 3.37Å; N31-I83 PolarHBondContact OD1-N 2.98Å; I76-I83 HydrophobicContact CB-CG1 4.43Å; I76-I83 HydrophobicContact CB-CG2 4.33Å; I76-I83 HydrophobicContact CD1-CD1 3.9Å; I76-I83 HydrophobicContact CD1-CG1 3.86Å; I76-I83 HydrophobicContact CG2-CD1 4.08Å; I76-I83 HydrophobicContact CG2-CG1 4.14Å; I76-I83 HydrophobicContact CG2-CG2 4.05Å; L79-I83 HydrophobicContact CD1-CG2 3.85Å
84I96.9Very high93.3Very high0 Ų051.2 Ų51.20%028%0.281CS..THydrogen-bonded Turntrans-105.111174.966.9179.1000111.9T22 V34 L50 Y52 E53 T82T22-I84 HydrophobicContact CG2-CD1 4.42Å; T22-I84 HydrophobicContact CG2-CG1 4.44Å; T22-I84 VanDerWaalsContact OG1-CG1 3.23Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.37Å; V34-I84 HydrophobicContact CG1-CD1 4.38Å; V34-I84 HydrophobicContact CG2-CD1 3.92Å; L50-I84 HydrophobicContact CB-CG2 4.08Å; L50-I84 HydrophobicContact CD1-CG2 4.05Å; L50-I84 HydrophobicContact CD2-CG2 4.27Å; L50-I84 HydrophobicContact CG-CG2 4.34Å; Y52-I84 CarbonylContact C-O 3.55Å; Y52-I84 WeakPolarHBondContact CA-O 3.33Å; Y52-I84 HydrophobicContact CD1-CB 4.13Å; Y52-I84 HydrophobicContact CD1-CG2 4.42Å; Y52-I84 HydrophobicContact CE1-CB 4.24Å; Y52-I84 HydrophobicContact CE1-CG2 4.05Å; E53-I84 PolarHBondContact N-O 3.06Å; T82-I84 VanDerWaalsContact C-N 3.25Å; T82-I84 PolarHBondContact O-N 3.2Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.45Å; T82-I84 PolarHBondContact OG1-N 3.39Å
85G95.8Very high93.6Very high13 Ų1353.9 Ų53.913%0.13429%0.287CS..  trans69.5179.8175.600000114.8T22 E53 T82T22-G85 PolarHBondContact OG1-O 3.13Å; E53-G85 WeakPolarHBondContact OE1-CA 3.15Å; T82-G85 VanDerWaalsContact CG2-O 3.3Å; T82-G85 WeakPolarHBondContact CG2-O 3.15Å; T82-G85 PolarHBondContact O-N 3.17Å
86S93.5Very high93.9Very high36 Ų3657.6 Ų57.625%0.25230%0.303SS..  trans-168.697179.5-177.60000109.6S23 G24 E53S23-S86 WeakPolarHBondContact CA-OG 3.34Å; G24-S86 PolarHBondContact N-OG 3.47Å; G24-S86 VanDerWaalsContact N-OG 3.08Å; G24-S86 PolarHBondContact O-OG 3.43Å; E53-S86 PolarHBondContact OE2-N 2.91Å; E53-S86 VanDerWaalsContact OE2-N 3.1Å
87A91.5Very high93.9Very high32 Ų3257.3 Ų57.326%0.26430%0.302SS..BIsolated β-bridgetrans-98.5155.9177.200000112.1E53 E56 C89E53-A87 HydrophobicContact CB-CB 3.89Å; E53-A87 WeakPolarHBondContact O-CB 3.13Å; E53-A87 PolarHBondContact O-N 2.91Å; E56-A87 HydrophobicContact CB-CB 3.86Å; A87-C89 PolarHBondContact O-N 3.28Å
88R88.9Confident94Very high246 Ų24658.6 Ų58.693%0.92831%0.307SS*.  trans-82.1102.3171.4-62.2-171.2-155.9173.67.3109.7K90R88-K90 PolarHBondContact O-N 3.42Å
89C90.9Very high94.1Very high22 Ų2259.1 Ų59.115%0.14931%0.307CS..  trans-81.7114.7178.7-171.50000112.9E56 A87 F92E56-C89 HydrophobicContact CB-CB 4.29Å; E56-C89 WeakPolarHBondContact OE2-CA 3.35Å; E56-C89 VanDerWaalsContact OE2-CB 3.25Å; E56-C89 WeakPolarHBondContact OE2-CB 3.47Å; E56-C89 PolarHBondContact OE2-SG 2.92Å; A87-C89 PolarHBondContact O-N 3.28Å; C89-F92 HydrophobicContact CB-CB 4.09Å; C89-F92 WeakPolarHBondContact SG-CB 3.43Å; C89-F92 PolarHBondContact SG-N 3.28Å
90K90.7Very high94.2Very high179 Ų17957.9 Ų57.978%0.77830%0.303SS*.SBendtrans-78.6-39.1168.2-74.9-175.8178.7178.10111.4R88 F92 T93R88-K90 PolarHBondContact O-N 3.42Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 2.98Å; K90-T93 WeakPolarHBondContact O-CB 3.39Å; K90-T93 PolarHBondContact O-N 3.28Å; K90-T93 VanDerWaalsContact O-N 3.11Å; K90-T93 PolarHBondContact O-OG1 2.89Å
91A92.8Very high94.4Very high38 Ų3856.3 Ų56.331%0.31429%0.287SS..G310 helixtrans-59.5-41.9-17600000112.5V59 T93 T94 G97V59-A91 HydrophobicContact CG1-CB 4.02Å; A91-T93 PolarHBondContact O-N 2.9Å; A91-T93 VanDerWaalsContact O-N 3.11Å; A91-T94 PolarHBondContact O-N 2.69Å; A91-T94 PolarHBondContact O-OG1 3.22Å; A91-G97 WeakPolarHBondContact O-CA 3.35Å
92F94.2Very high94.5Very high15 Ų1555.8 Ų55.87%0.06628%0.282CS..G310 helixtrans-65.7-14.4179.8-161.4-101.2000114.2Y55 L58 V59 C89 K90 T94 R98 A101 F128Y55-F92 AromaticContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD2 4.07Å; Y55-F92 AromaticContact CD1-CE1 3.48Å; Y55-F92 HydrophobicContact CD1-CE1 3.48Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.48Å; Y55-F92 AromaticContact CD1-CE2 3.9Å; Y55-F92 HydrophobicContact CD1-CE2 3.9Å; Y55-F92 AromaticContact CD1-CG 3.96Å; Y55-F92 HydrophobicContact CD1-CG 3.96Å; Y55-F92 AromaticContact CD1-CZ 3.59Å; Y55-F92 HydrophobicContact CD1-CZ 3.59Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 HydrophobicContact CE1-CD1 4.03Å; Y55-F92 AromaticContact CE1-CE1 3.39Å; Y55-F92 HydrophobicContact CE1-CE1 3.39Å; Y55-F92 HydrophobicContact CE1-CE2 4.26Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE2-CE1 4.5Å; Y55-F92 AromaticContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CE1 4.12Å; Y55-F92 HydrophobicContact CG-CG 4.14Å; Y55-F92 AromaticContact CZ-CE1 3.94Å; L58-F92 HydrophobicContact CD2-CD2 4.47Å; L58-F92 HydrophobicContact CD2-CE2 3.77Å; L58-F92 HydrophobicContact CD2-CZ 4.26Å; V59-F92 HydrophobicContact CG2-CB 4.09Å; V59-F92 HydrophobicContact CG2-CD2 3.84Å; V59-F92 HydrophobicContact CG2-CG 4.48Å; C89-F92 HydrophobicContact CB-CB 4.09Å; C89-F92 WeakPolarHBondContact SG-CB 3.43Å; C89-F92 PolarHBondContact SG-N 3.28Å; K90-F92 VanDerWaalsContact C-N 3.33Å; K90-F92 PolarHBondContact O-N 2.98Å; F92-T94 VanDerWaalsContact C-N 3.3Å; F92-R98 HydrophobicContact CD1-CG 4.32Å; F92-R98 HydrophobicContact CD2-CG 3.94Å; F92-R98 HydrophobicContact CE1-CG 4.29Å; F92-R98 HydrophobicContact CE2-CG 3.91Å; F92-R98 HydrophobicContact CG-CG 4.16Å; F92-R98 HydrophobicContact CZ-CG 4.1Å; F92-R98 VanDerWaalsContact O-CG 3.3Å; F92-R98 WeakPolarHBondContact O-CG 3.48Å; F92-R98 PolarHBondContact O-NH1 2.79Å; F92-A101 HydrophobicContact CD2-CB 4.05Å; F92-A101 HydrophobicContact CE2-CB 3.76Å; F92-F128 HydrophobicContact CE1-CB 4.31Å; F92-F128 HydrophobicContact CE2-CD1 4.37Å; F92-F128 HydrophobicContact CE2-CD2 4.14Å; F92-F128 HydrophobicContact CE2-CE1 4.47Å; F92-F128 HydrophobicContact CE2-CE2 4.27Å; F92-F128 HydrophobicContact CE2-CG 4.19Å; F92-F128 HydrophobicContact CE2-CZ 4.41Å; F92-F128 HydrophobicContact CZ-CB 3.76Å; F92-F128 AromaticContact CZ-CD1 3.86Å; F92-F128 HydrophobicContact CZ-CD1 3.86Å; F92-F128 AromaticContact CZ-CD2 3.94Å; F92-F128 HydrophobicContact CZ-CD2 3.94Å; F92-F128 HydrophobicContact CZ-CE1 4.39Å; F92-F128 HydrophobicContact CZ-CE2 4.48Å; F92-F128 AromaticContact CZ-CG 3.59Å; F92-F128 HydrophobicContact CZ-CG 3.59Å
93T91.5Very high94.6Very high103 Ų10358.1 Ų58.163%0.63229%0.288SS*.G310 helixtrans-71.3-27.2169.772.10000112.1K90 A91 R98K90-T93 WeakPolarHBondContact O-CB 3.39Å; K90-T93 PolarHBondContact O-N 3.28Å; K90-T93 VanDerWaalsContact O-N 3.11Å; K90-T93 PolarHBondContact O-OG1 2.89Å; A91-T93 PolarHBondContact O-N 2.9Å; A91-T93 VanDerWaalsContact O-N 3.11Å; T93-R98 VanDerWaalsContact C-NH1 3.28Å; T93-R98 PolarHBondContact O-NH1 3.01Å
94T94.7Very high94.6Very high66 Ų6656.4 Ų56.441%0.40528%0.279SS..SBendtrans-85.8153.4173.984.60000110.6A91 F92 E96 G97 R98A91-T94 PolarHBondContact O-N 2.69Å; A91-T94 PolarHBondContact O-OG1 3.22Å; F92-T94 VanDerWaalsContact C-N 3.3Å; T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 PolarHBondContact O-N 3.39Å; T94-G97 PolarHBondContact O-N 2.95Å; T94-G97 PolarHBondContact OG1-N 2.76Å; T94-G97 VanDerWaalsContact OG1-N 3.13Å; T94-R98 PolarHBondContact O-N 3.44Å; T94-R98 PolarHBondContact O-NH1 3.31Å
95R94.8Very high94.6Very high82 Ų8256.4 Ų56.431%0.30928%0.279SS..Hα-helixtrans-67.2-32.9176.4-171.6168.5171.694.2-10.4112.2R98 R99 E131 S134 L135 E138R95-R98 PolarHBondContact O-N 3.39Å; R95-R99 WeakPolarHBondContact O-CB 3.4Å; R95-R99 PolarHBondContact O-N 2.85Å; R95-E131 IonicContact CZ-OE2 2.88Å; R95-E131 VanDerWaalsContact NH1-CD 3.34Å; R95-E131 IonicContact NH1-OE2 3.88Å; R95-E131 PolarHBondContact NH1-OE2 3.24Å; R95-S134 PolarHBondContact NH1-OG 2.82Å; R95-S134 VanDerWaalsContact NH2-CB 3.33Å; R95-S134 PolarHBondContact NH2-OG 3.19Å; R95-L135 HydrophobicContact CG-CD2 3.86Å; R95-E138 IonicContact CZ-OE1 3.24Å; R95-E138 IonicContact NE-OE1 2.72Å; R95-E138 PolarHBondContact NE-OE1 3.26Å; R95-E138 IonicContact NH2-OE1 2.73Å; R95-E138 PolarHBondContact NH2-OE1 2.89Å
96E95Very high94.6Very high132 Ų13256 Ų5662%0.61728%0.275SS*.Hα-helixtrans-59.6-47173.5-176.1-177.3-171.600111.9T94 R98 R99 T100T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 PolarHBondContact O-N 3.39Å; E96-R98 PolarHBondContact O-N 3.49Å; E96-R99 WeakPolarHBondContact O-CB 3.24Å; E96-R99 PolarHBondContact O-N 3.06Å; E96-T100 PolarHBondContact O-N 2.68Å; E96-T100 PolarHBondContact O-OG1 2.92Å
97G95.6Very high94.6Very high4 Ų459.5 Ų59.54%0.04129%0.287CS..Hα-helixtrans-62.9-42.4176.600000112.3A91 T94 R99 T100 A101A91-G97 WeakPolarHBondContact O-CA 3.35Å; T94-G97 PolarHBondContact O-N 2.95Å; T94-G97 PolarHBondContact OG1-N 2.76Å; T94-G97 VanDerWaalsContact OG1-N 3.13Å; G97-R99 VanDerWaalsContact C-N 3.32Å; G97-R99 PolarHBondContact O-N 3.05Å; G97-T100 PolarHBondContact O-N 2.91Å; G97-A101 WeakPolarHBondContact O-CB 3.26Å; G97-A101 PolarHBondContact O-N 3.42Å
98R97.1Very high94.7Very high31 Ų3162.8 Ų62.812%0.11729%0.293CS..Hα-helixtrans-60.5-40.3172.9-69.7-166.8-67.7-81.814.6112.3F92 T93 T94 R95 E96 A101 A102 F128 E131 L135F92-R98 HydrophobicContact CD1-CG 4.32Å; F92-R98 HydrophobicContact CD2-CG 3.94Å; F92-R98 HydrophobicContact CE1-CG 4.29Å; F92-R98 HydrophobicContact CE2-CG 3.91Å; F92-R98 HydrophobicContact CG-CG 4.16Å; F92-R98 HydrophobicContact CZ-CG 4.1Å; F92-R98 VanDerWaalsContact O-CG 3.3Å; F92-R98 WeakPolarHBondContact O-CG 3.48Å; F92-R98 PolarHBondContact O-NH1 2.79Å; T93-R98 VanDerWaalsContact C-NH1 3.28Å; T93-R98 PolarHBondContact O-NH1 3.01Å; T94-R98 PolarHBondContact O-N 3.44Å; T94-R98 PolarHBondContact O-NH1 3.31Å; R95-R98 PolarHBondContact O-N 3.39Å; E96-R98 PolarHBondContact O-N 3.49Å; R98-A101 WeakPolarHBondContact O-CB 3.39Å; R98-A101 PolarHBondContact O-N 2.95Å; R98-A102 PolarHBondContact O-N 3.45Å; R98-F128 HydrophobicContact CB-CD2 4.02Å; R98-F128 HydrophobicContact CB-CE2 4.21Å; R98-F128 HydrophobicContact CG-CD2 4.23Å; R98-F128 VanDerWaalsContact O-CE2 3.28Å; R98-F128 WeakPolarHBondContact O-CE2 3.15Å; R98-E131 IonicContact CZ-OE1 3.73Å; R98-E131 IonicContact CZ-OE2 2.83Å; R98-E131 IonicContact NE-OE1 3.81Å; R98-E131 PolarHBondContact NE-OE1 2.95Å; R98-E131 IonicContact NE-OE2 3.48Å; R98-E131 PolarHBondContact NE-OE2 2.92Å; R98-E131 IonicContact NH2-OE1 3.95Å; R98-E131 PolarHBondContact NH2-OE1 3.07Å; R98-E131 IonicContact NH2-OE2 3.46Å; R98-E131 PolarHBondContact NH2-OE2 3.21Å; R98-E131 VanDerWaalsContact NH2-OE2 3.14Å; R98-L135 HydrophobicContact CB-CD1 4.05Å
99R97.1Very high95Very high37 Ų3751.6 Ų51.614%0.1425%0.254CS..Hα-helixtrans-63.9-42.4176.8-170.517866.2159.713.4112.4R95 E96 G97 A102 Y103 L135 E138 L139 E142R95-R99 WeakPolarHBondContact O-CB 3.4Å; R95-R99 PolarHBondContact O-N 2.85Å; E96-R99 WeakPolarHBondContact O-CB 3.24Å; E96-R99 PolarHBondContact O-N 3.06Å; G97-R99 VanDerWaalsContact C-N 3.32Å; G97-R99 PolarHBondContact O-N 3.05Å; R99-A102 PolarHBondContact O-N 2.92Å; R99-Y103 PolarHBondContact O-N 2.91Å; R99-L135 HydrophobicContact CB-CD2 4.01Å; R99-E138 VanDerWaalsContact CD-OE2 3.31Å; R99-E138 WeakPolarHBondContact CD-OE2 3.25Å; R99-E138 IonicContact NH1-OE2 2.74Å; R99-L139 HydrophobicContact CG-CD1 4.38Å; R99-L139 HydrophobicContact CG-CD2 3.79Å; R99-L139 HydrophobicContact CG-CG 3.82Å; R99-E142 VanDerWaalsContact CZ-CD 3.45Å; R99-E142 IonicContact CZ-OE1 3.86Å; R99-E142 IonicContact CZ-OE2 3.67Å; R99-E142 VanDerWaalsContact CZ-OE2 3.29Å; R99-E142 IonicContact NE-OE2 3.24Å; R99-E142 IonicContact NH1-OE1 3.24Å; R99-E142 PolarHBondContact NH1-OE1 2.97Å; R99-E142 IonicContact NH1-OE2 3.31Å; R99-E142 PolarHBondContact NH1-OE2 3.15Å; R99-E142 IonicContact NH2-OE1 3.05Å; R99-E142 PolarHBondContact NH2-OE1 3.36Å; R99-E142 IonicContact NH2-OE2 3.48Å; R99-E142 PolarHBondContact NH2-OE2 3.42Å
100T96.9Very high95.3Very high50 Ų5050.6 Ų50.631%0.30725%0.247SC..Hα-helixtrans-63.7-41.9173.7-56.60000111.4V59 E96 G97 A102 Y103 N104V59-T100 HydrophobicContact CG1-CG2 4.38Å; V59-T100 VanDerWaalsContact O-CG2 3.31Å; V59-T100 WeakPolarHBondContact O-CG2 3.39Å; E96-T100 PolarHBondContact O-N 2.68Å; E96-T100 PolarHBondContact O-OG1 2.92Å; G97-T100 PolarHBondContact O-N 2.91Å; T100-A102 PolarHBondContact O-N 3.18Å; T100-Y103 WeakPolarHBondContact O-CB 3.44Å; T100-Y103 PolarHBondContact O-N 3.31Å; T100-N104 VanDerWaalsContact O-CG 3.24Å; T100-N104 PolarHBondContact O-N 3.4Å; T100-N104 PolarHBondContact O-ND2 3Å
101A97.1Very high95.4Very high0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-60-42.6172.200000113.1L58 V59 F92 G97 R98 N104 L105 F128L58-A101 HydrophobicContact CD2-CB 3.94Å; L58-A101 HydrophobicContact CG-CB 3.75Å; V59-A101 HydrophobicContact CG2-CB 4.19Å; F92-A101 HydrophobicContact CD2-CB 4.05Å; F92-A101 HydrophobicContact CE2-CB 3.76Å; G97-A101 WeakPolarHBondContact O-CB 3.26Å; G97-A101 PolarHBondContact O-N 3.42Å; R98-A101 WeakPolarHBondContact O-CB 3.39Å; R98-A101 PolarHBondContact O-N 2.95Å; A101-N104 PolarHBondContact O-N 3.42Å; A101-L105 WeakPolarHBondContact O-CG 3.44Å; A101-L105 PolarHBondContact O-N 3.22Å; A101-F128 HydrophobicContact CB-CE2 4.34Å; A101-F128 HydrophobicContact CB-CZ 4.03Å
102A97.3Very high95.6Very high0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-62.1-44.7176.100000111.7R98 R99 T100 N104 L105 V106 F128 W132 L135 L139R98-A102 PolarHBondContact O-N 3.45Å; R99-A102 PolarHBondContact O-N 2.92Å; T100-A102 PolarHBondContact O-N 3.18Å; A102-N104 PolarHBondContact O-N 2.96Å; A102-L105 PolarHBondContact O-N 3.35Å; A102-V106 WeakPolarHBondContact O-CB 3.48Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.23Å; A102-F128 HydrophobicContact CB-CE2 4.03Å; A102-F128 HydrophobicContact CB-CZ 4.13Å; A102-W132 HydrophobicContact CB-CE3 4.07Å; A102-W132 HydrophobicContact CB-CH2 4.27Å; A102-W132 HydrophobicContact CB-CZ3 3.67Å; A102-L135 HydrophobicContact CB-CB 4.25Å; A102-L135 HydrophobicContact CB-CD1 4.39Å; A102-L139 HydrophobicContact CB-CD1 4.27Å
103Y97Very high95.8Very high76 Ų7640.8 Ų40.830%0.29820%0.199SC..Hα-helixtrans-56-49.6173175-97.2000111.7R99 T100 L105 V106 Q107 L139 K144 I145R99-Y103 PolarHBondContact O-N 2.91Å; T100-Y103 WeakPolarHBondContact O-CB 3.44Å; T100-Y103 PolarHBondContact O-N 3.31Å; Y103-L105 VanDerWaalsContact C-N 3.34Å; Y103-L105 PolarHBondContact O-N 2.67Å; Y103-V106 PolarHBondContact O-N 2.84Å; Y103-Q107 HydrophobicContact CD1-CG 4.19Å; Y103-Q107 HydrophobicContact CD2-CG 4.37Å; Y103-Q107 HydrophobicContact CE1-CG 3.82Å; Y103-Q107 HydrophobicContact CE2-CG 4.02Å; Y103-Q107 HydrophobicContact CG-CG 4.45Å; Y103-Q107 VanDerWaalsContact O-CG 3.31Å; Y103-Q107 WeakPolarHBondContact O-CG 3.5Å; Y103-Q107 PolarHBondContact O-N 3.41Å; Y103-L139 HydrophobicContact CD2-CD2 4.31Å; Y103-K144 HydrophobicContact CD2-CB 4.07Å; Y103-K144 HydrophobicContact CE2-CB 4Å; Y103-I145 HydrophobicContact CD2-CG2 3.96Å; Y103-I145 HydrophobicContact CE2-CG2 4.26Å
104N97.3Very high96.1Very high22 Ų2235.9 Ų35.912%0.11817%0.169CC..Hα-helixtrans-60-40.7-179.5-68.7-23.1000113.1L58 V59 G61 I65 T100 A101 A102 R108L58-N104 PolarHBondContact O-ND2 2.79Å; V59-N104 PolarHBondContact O-ND2 3.27Å; G61-N104 WeakPolarHBondContact CA-ND2 3.18Å; G61-N104 PolarHBondContact N-ND2 3.39Å; I65-N104 HydrophobicContact CD1-CB 3.93Å; T100-N104 VanDerWaalsContact O-CG 3.24Å; T100-N104 PolarHBondContact O-N 3.4Å; T100-N104 PolarHBondContact O-ND2 3Å; A101-N104 PolarHBondContact O-N 3.42Å; A102-N104 PolarHBondContact O-N 2.96Å; N104-R108 WeakPolarHBondContact O-CG 3.49Å
105L96.9Very high96.3Very high0 Ų032.7 Ų32.70%015%0.15CC..Hα-helixtrans-66.8-44.7175.6-71.1-178.7000111.9I51 L58 A101 A102 Y103 Q107 R108 G109 I110 F128 W132 L156I51-L105 HydrophobicContact CD1-CD2 4.44Å; L58-L105 HydrophobicContact CD1-CD1 4.09Å; L58-L105 HydrophobicContact CD1-CD2 3.58Å; L58-L105 HydrophobicContact CD1-CG 3.78Å; A101-L105 WeakPolarHBondContact O-CG 3.44Å; A101-L105 PolarHBondContact O-N 3.22Å; A102-L105 PolarHBondContact O-N 3.35Å; Y103-L105 VanDerWaalsContact C-N 3.34Å; Y103-L105 PolarHBondContact O-N 2.67Å; L105-Q107 PolarHBondContact O-N 3.45Å; L105-R108 CarbonylContact O-C 3.54Å; L105-R108 PolarHBondContact O-N 3.42Å; L105-R108 VanDerWaalsContact O-N 3.08Å; L105-G109 PolarHBondContact O-N 3.47Å; L105-I110 HydrophobicContact CB-CB 4.25Å; L105-I110 HydrophobicContact CD2-CB 3.88Å; L105-I110 HydrophobicContact CD2-CD1 3.8Å; L105-I110 HydrophobicContact CD2-CG1 4.46Å; L105-I110 HydrophobicContact CD2-CG2 3.85Å; L105-I110 PolarHBondContact O-N 3.08Å; L105-F128 HydrophobicContact CD1-CE1 3.75Å; L105-F128 HydrophobicContact CD1-CZ 4.09Å; L105-W132 HydrophobicContact CB-CH2 4.06Å; L105-W132 HydrophobicContact CD1-CH2 4.26Å; L105-W132 HydrophobicContact CD1-CZ3 4.1Å; L105-L156 HydrophobicContact CD1-CD1 4.4Å
106V95.7Very high96.4Very high5 Ų528.8 Ų28.83%0.0314%0.135CC..Hα-helixtrans-61.4-41.8178.4164.30000111.9A102 Y103 R108 G109 W132 L136 I145 T149 Y153A102-V106 WeakPolarHBondContact O-CB 3.48Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.23Å; Y103-V106 PolarHBondContact O-N 2.84Å; V106-R108 PolarHBondContact O-N 3.45Å; V106-G109 PolarHBondContact O-N 3.5Å; V106-W132 HydrophobicContact CG2-CH2 4.03Å; V106-W132 HydrophobicContact CG2-CZ2 3.88Å; V106-L136 HydrophobicContact CG2-CD2 3.73Å; V106-I145 HydrophobicContact CG1-CG2 4.09Å; V106-T149 HydrophobicContact CG1-CG2 3.46Å; V106-T149 VanDerWaalsContact CG1-CG2 3.46Å; V106-Y153 HydrophobicContact CG1-CD2 3.95Å; V106-Y153 HydrophobicContact CG1-CE2 4.49Å
107Q93.6Very high96.4Very high109 Ų10922.5 Ų22.551%0.50911%0.106SC..Hα-helixtrans-60.8-24.6175.4-69.2-61.5-32.400113.2Y103 L105Y103-Q107 HydrophobicContact CD1-CG 4.19Å; Y103-Q107 HydrophobicContact CD2-CG 4.37Å; Y103-Q107 HydrophobicContact CE1-CG 3.82Å; Y103-Q107 HydrophobicContact CE2-CG 4.02Å; Y103-Q107 HydrophobicContact CG-CG 4.45Å; Y103-Q107 VanDerWaalsContact O-CG 3.31Å; Y103-Q107 WeakPolarHBondContact O-CG 3.5Å; Y103-Q107 PolarHBondContact O-N 3.41Å; L105-Q107 PolarHBondContact O-N 3.45Å
108R94.5Very high96.3Very high102 Ų10222.8 Ų22.839%0.38511%0.108SC..THydrogen-bonded Turntrans-97.2-3175.3-60.9-68.9-167.2155.53.6113.2F49 G62 I65 N104 L105 V106 I110F49-R108 HydrophobicContact CE1-CB 4.27Å; F49-R108 HydrophobicContact CE1-CG 4.42Å; F49-R108 HydrophobicContact CZ-CB 4.25Å; G62-R108 PolarHBondContact O-NH2 3.25Å; I65-R108 HydrophobicContact CG2-CG 4.11Å; I65-R108 PolarHBondContact O-NH2 3.39Å; N104-R108 WeakPolarHBondContact O-CG 3.49Å; L105-R108 CarbonylContact O-C 3.54Å; L105-R108 PolarHBondContact O-N 3.42Å; L105-R108 VanDerWaalsContact O-N 3.08Å; V106-R108 PolarHBondContact O-N 3.45Å; R108-I110 VanDerWaalsContact C-N 3.32Å; R108-I110 HydrophobicContact CB-CD1 3.61Å; R108-I110 HydrophobicContact CB-CG1 3.77Å; R108-I110 HydrophobicContact CG-CD1 4.31Å
109G94.3Very high95.8Very high11 Ų1123.5 Ų23.511%0.11312%0.115CC..THydrogen-bonded Turntrans69.822.2-175.100000114.6A17 L105 V106 T111A17-G109 WeakPolarHBondContact CB-O 3.21Å; L105-G109 PolarHBondContact O-N 3.47Å; V106-G109 PolarHBondContact O-N 3.5Å; G109-T111 PolarHBondContact O-N 2.89Å
110I96.4Very high95.5Very high0 Ų024 Ų240%013%0.131CC..  trans-85.5110.1-174.9-58.3166000110.1A17 F49 I65 L105 R108 N112A17-I110 HydrophobicContact CB-CG1 4.09Å; F49-I110 HydrophobicContact CB-CD1 3.8Å; F49-I110 HydrophobicContact CD1-CD1 4.31Å; F49-I110 HydrophobicContact CD2-CD1 3.69Å; F49-I110 HydrophobicContact CD2-CG1 3.72Å; F49-I110 HydrophobicContact CE2-CD1 4.34Å; F49-I110 HydrophobicContact CE2-CG1 4.07Å; F49-I110 HydrophobicContact CG-CD1 3.68Å; F49-I110 HydrophobicContact CG-CG1 4.24Å; I65-I110 HydrophobicContact CG2-CD1 3.92Å; L105-I110 HydrophobicContact CB-CB 4.25Å; L105-I110 HydrophobicContact CD2-CB 3.88Å; L105-I110 HydrophobicContact CD2-CD1 3.8Å; L105-I110 HydrophobicContact CD2-CG1 4.46Å; L105-I110 HydrophobicContact CD2-CG2 3.85Å; L105-I110 PolarHBondContact O-N 3.08Å; R108-I110 VanDerWaalsContact C-N 3.32Å; R108-I110 HydrophobicContact CB-CD1 3.61Å; R108-I110 HydrophobicContact CB-CG1 3.77Å; R108-I110 HydrophobicContact CG-CD1 4.31Å; I110-N112 WeakPolarHBondContact CG2-O 3.4Å
111T94.3Very high95.3Very high24 Ų2422.2 Ų22.215%0.14712%0.121CC..  trans-112.20.4173.753.60000114G109 Y153 H155 L156 N157G109-T111 PolarHBondContact O-N 2.89Å; T111-Y153 HydrophobicContact CG2-CD1 3.53Å; T111-Y153 HydrophobicContact CG2-CG 4.04Å; T111-H155 WeakPolarHBondContact CB-O 3.41Å; T111-L156 WeakPolarHBondContact O-CA 3.28Å; T111-N157 PolarHBondContact O-N 3.26Å
112N97Very high95.1Very high2 Ų222.2 Ų22.21%0.01112%0.121CC..EExtended strand (participates in β ladder)trans-126.7125.7-179.9-52.9-84.3000107.7A17 I18 G19 I110 N157 L324A17-N112 WeakPolarHBondContact O-CB 3.24Å; A17-N112 PolarHBondContact O-N 2.94Å; A17-N112 PolarHBondContact O-ND2 2.85Å; I18-N112 CarbonylContact C-O 3.5Å; I18-N112 VanDerWaalsContact CA-O 3.29Å; I18-N112 WeakPolarHBondContact CA-O 3.39Å; I18-N112 HydrophobicContact CG1-CB 3.99Å; G19-N112 PolarHBondContact N-O 2.84Å; I110-N112 WeakPolarHBondContact CG2-O 3.4Å; N112-N157 WeakPolarHBondContact OD1-CB 3.34Å; N112-N157 PolarHBondContact OD1-ND2 3.29Å; N112-L324 HydrophobicContact CB-CB 4.19Å; N112-L324 HydrophobicContact CB-CD1 4.22Å; N112-L324 HydrophobicContact CB-CD2 4.08Å; N112-L324 HydrophobicContact CB-CG 4.39Å; N112-L324 PolarHBondContact OD1-O 3.15Å
113L97.8Very high94.9Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-130.6118.8-175.6179.169.4000110.3L21 I51 V115 F128 L156 N157 I158 A159L21-L113 HydrophobicContact CD2-CD1 4.16Å; L21-L113 HydrophobicContact CD2-CD2 4.44Å; I51-L113 HydrophobicContact CD1-CD1 3.52Å; L113-V115 HydrophobicContact CD2-CG2 4.04Å; L113-V115 HydrophobicContact CG-CG2 3.92Å; L113-F128 HydrophobicContact CD2-CE1 4.5Å; L113-L156 HydrophobicContact CB-CD1 4.3Å; L113-N157 PolarHBondContact N-O 3.11Å; L113-I158 HydrophobicContact CB-CD1 3.89Å; L113-I158 HydrophobicContact CD2-CD1 3.99Å; L113-I158 HydrophobicContact CG-CD1 4.26Å; L113-I158 WeakPolarHBondContact O-CA 3.4Å; L113-A159 PolarHBondContact O-N 3.2Å; L113-A159 VanDerWaalsContact O-N 3.16Å
114C98.1Very high94.7Very high0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-93.8116.2172.9-174.80000109.2G19 V20 L21 V37 A159 L324G19-C114 PolarHBondContact O-N 3.06Å; V20-C114 WeakPolarHBondContact CA-O 3.2Å; V20-C114 HydrophobicContact CG1-CB 4.37Å; V20-C114 HydrophobicContact CG2-CB 4.42Å; L21-C114 PolarHBondContact N-O 3.08Å; L21-C114 VanDerWaalsContact N-O 3.1Å; V37-C114 HydrophobicContact CG1-CB 4.03Å; C114-A159 WeakPolarHBondContact CA-O 3.47Å; C114-L324 HydrophobicContact CB-CD1 4.12Å
115V98.1Very high94.6Very high0 Ų019.6 Ų19.60%012%0.116CC..EExtended strand (participates in β ladder)trans-108.8119.8-179.21790000109.5L21 L113 L122 A125 A159 G160 L161L21-V115 HydrophobicContact CD1-CG1 3.95Å; L21-V115 HydrophobicContact CD1-CG2 4.45Å; L21-V115 HydrophobicContact CD2-CG2 4.44Å; L21-V115 HydrophobicContact CG-CG2 4.23Å; L113-V115 HydrophobicContact CD2-CG2 4.04Å; L113-V115 HydrophobicContact CG-CG2 3.92Å; V115-L122 HydrophobicContact CB-CD2 4.28Å; V115-L122 HydrophobicContact CG1-CD2 4.14Å; V115-A125 HydrophobicContact CB-CB 4.32Å; V115-A125 HydrophobicContact CG1-CB 4.47Å; V115-A125 HydrophobicContact CG2-CB 3.84Å; V115-A159 PolarHBondContact N-O 3.15Å; V115-G160 CarbonylContact O-C 3.43Å; V115-G160 WeakPolarHBondContact O-CA 3.32Å; V115-L161 PolarHBondContact O-N 3.25Å
116I97.9Very high94.4Very high0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-108.9113.5-179.2-49.5176.7000108.2V20 L21 T22 S23 M30 A33 V34 L161V20-I116 HydrophobicContact CG1-CD1 3.97Å; L21-I116 PolarHBondContact O-N 3.47Å; T22-I116 CarbonylContact C-O 3.5Å; T22-I116 VanDerWaalsContact CA-O 3.28Å; T22-I116 WeakPolarHBondContact CA-O 3.31Å; T22-I116 HydrophobicContact CG2-CB 3.88Å; T22-I116 HydrophobicContact CG2-CD1 4.38Å; T22-I116 HydrophobicContact CG2-CG2 4.16Å; S23-I116 PolarHBondContact N-O 2.94Å; M30-I116 HydrophobicContact CB-CG2 4.5Å; M30-I116 HydrophobicContact CG-CG2 3.99Å; A33-I116 HydrophobicContact CB-CD1 3.84Å; V34-I116 HydrophobicContact CG2-CD1 3.66Å; I116-L161 WeakPolarHBondContact CA-O 3.26Å; I116-L161 HydrophobicContact CB-CB 4.44Å; I116-L161 HydrophobicContact CD1-CD1 4.29Å; I116-L161 HydrophobicContact CG1-CB 4.17Å; I116-L161 HydrophobicContact CG1-CD1 4.1Å; I116-L161 HydrophobicContact CG1-CG 4.42Å; I116-L161 HydrophobicContact CG2-CB 4.23Å
117G94.8Very high94.4Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans171.4-169.6-174.800000115S23 L161 V162 G163S23-G117 WeakPolarHBondContact O-CA 3.31Å; G117-L161 PolarHBondContact N-O 3.45Å; G117-V162 WeakPolarHBondContact O-CA 3.24Å; G117-G163 CarbonylContact C-O 3.48Å; G117-G163 PolarHBondContact O-N 2.98Å
118G92.2Very high94.5Very high10 Ų1018.8 Ų18.810%0.10312%0.115CC..  trans-79.7177.8178.200000114.4G120 S121 L122 G163G118-G120 VanDerWaalsContact C-N 3.31Å; G118-G120 PolarHBondContact O-N 3.22Å; G118-S121 PolarHBondContact O-N 2.95Å; G118-L122 WeakPolarHBondContact O-CG 3.39Å; G118-L122 PolarHBondContact O-N 3.32Å; G118-L122 VanDerWaalsContact O-N 3.08Å; G118-G163 PolarHBondContact N-O 3.22Å
119D87.9Confident94.5Very high46 Ų4616.5 Ų16.525%0.24611%0.106CC..Hα-helixtrans-47.8-45.217968.8-57.6000114.1L122 T123 F169 R210D119-L122 PolarHBondContact O-N 3.3Å; D119-T123 WeakPolarHBondContact O-CB 3.36Å; D119-T123 PolarHBondContact O-N 2.93Å; D119-T123 PolarHBondContact O-OG1 2.87Å; D119-F169 HydrophobicContact CB-CD2 4.09Å; D119-F169 HydrophobicContact CB-CE2 4.42Å; D119-R210 IonicContact OD1-CZ 2.66Å; D119-R210 IonicContact OD1-NH1 3.09Å; D119-R210 PolarHBondContact OD1-NH1 3.09Å; D119-R210 IonicContact OD1-NH2 3.79Å
120G89.5Confident94.5Very high46 Ų4619.9 Ų19.947%0.47413%0.128SC..Hα-helixtrans-65.7-40.6178.800000113.1G118 T123 G124G118-G120 VanDerWaalsContact C-N 3.31Å; G118-G120 PolarHBondContact O-N 3.22Å; G120-T123 PolarHBondContact O-N 3.43Å; G120-G124 PolarHBondContact O-N 3.15Å
121S93.3Very high94.5Very high14 Ų1421.7 Ų21.710%0.09814%0.137CC..Hα-helixtrans-68.3-38.8178.8-620000111.8S23 Y55 G118 G124 A125S23-S121 WeakPolarHBondContact CB-OG 3.3Å; S23-S121 PolarHBondContact O-OG 2.77Å; S23-S121 PolarHBondContact OG-OG 2.79Å; Y55-S121 PolarHBondContact OH-O 2.69Å; G118-S121 PolarHBondContact O-N 2.95Å; S121-G124 PolarHBondContact O-N 2.92Å; S121-A125 PolarHBondContact O-N 2.69Å; S121-A125 VanDerWaalsContact O-N 3.11Å
122L93.4Very high94.6Very high0 Ų020.7 Ų20.70%013%0.13CC..Hα-helixtrans-68.3-40174.6-64.8179000111.9V115 G118 D119 G124 A125 N126 G160 V162 F169 V335 L348V115-L122 HydrophobicContact CB-CD2 4.28Å; V115-L122 HydrophobicContact CG1-CD2 4.14Å; G118-L122 WeakPolarHBondContact O-CG 3.39Å; G118-L122 PolarHBondContact O-N 3.32Å; G118-L122 VanDerWaalsContact O-N 3.08Å; D119-L122 PolarHBondContact O-N 3.3Å; L122-G124 PolarHBondContact O-N 2.85Å; L122-A125 WeakPolarHBondContact O-CB 3.49Å; L122-A125 PolarHBondContact O-N 2.78Å; L122-N126 PolarHBondContact O-N 2.83Å; L122-N126 VanDerWaalsContact O-N 3.15Å; L122-G160 VanDerWaalsContact CD2-CA 3.44Å; L122-V162 HydrophobicContact CD1-CG2 4.03Å; L122-F169 HydrophobicContact CD1-CE2 3.99Å; L122-F169 HydrophobicContact CD1-CZ 4.09Å; L122-V335 HydrophobicContact CD1-CG2 4.05Å; L122-L348 HydrophobicContact CB-CD1 4.11Å; L122-L348 HydrophobicContact CB-CD2 4.49Å; L122-L348 HydrophobicContact CB-CG 4.36Å
123T91.9Very high94.4Very high25 Ų2522.3 Ų22.315%0.15315%0.147CC..Hα-helixtrans-60.4-44.9173.7-56.80000111.2D119 G120 A125 N126 I127D119-T123 WeakPolarHBondContact O-CB 3.36Å; D119-T123 PolarHBondContact O-N 2.93Å; D119-T123 PolarHBondContact O-OG1 2.87Å; G120-T123 PolarHBondContact O-N 3.43Å; T123-A125 VanDerWaalsContact C-N 3.31Å; T123-A125 PolarHBondContact O-N 3.41Å; T123-N126 PolarHBondContact O-N 3.2Å; T123-I127 HydrophobicContact CG2-CD1 4.22Å; T123-I127 WeakPolarHBondContact O-CG1 3.47Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.09Å
124G93.3Very high94.3Very high17 Ų1724.1 Ų24.118%0.17516%0.16CC..Hα-helixtrans-59.7-38.317500000113.2G120 S121 L122 I127 F128G120-G124 PolarHBondContact O-N 3.15Å; S121-G124 PolarHBondContact O-N 2.92Å; L122-G124 PolarHBondContact O-N 2.85Å; G124-I127 PolarHBondContact O-N 2.99Å; G124-F128 WeakPolarHBondContact O-CB 3.33Å; G124-F128 PolarHBondContact O-N 3.17Å
125A94.9Very high94.3Very high0 Ų024.1 Ų24.10%016%0.16CC..Hα-helixtrans-62.8-42.2176.800000112.2Y55 V115 S121 L122 T123 F128 R129 I158Y55-A125 WeakPolarHBondContact OH-CA 3.38Å; Y55-A125 WeakPolarHBondContact OH-CB 3.37Å; Y55-A125 PolarHBondContact OH-N 2.86Å; Y55-A125 VanDerWaalsContact OH-N 3.15Å; V115-A125 HydrophobicContact CB-CB 4.32Å; V115-A125 HydrophobicContact CG1-CB 4.47Å; V115-A125 HydrophobicContact CG2-CB 3.84Å; S121-A125 PolarHBondContact O-N 2.69Å; S121-A125 VanDerWaalsContact O-N 3.11Å; L122-A125 WeakPolarHBondContact O-CB 3.49Å; L122-A125 PolarHBondContact O-N 2.78Å; T123-A125 VanDerWaalsContact C-N 3.31Å; T123-A125 PolarHBondContact O-N 3.41Å; A125-F128 PolarHBondContact O-N 3.2Å; A125-R129 PolarHBondContact O-N 3.27Å; A125-I158 HydrophobicContact CB-CD1 4.3Å; A125-I158 HydrophobicContact CB-CG2 3.95Å
126N94.2Very high94.1Very high22 Ų2224.3 Ų24.312%0.11816%0.161CC..Hα-helixtrans-71.6-35.3178.7-174.674.9000113.3L122 T123 F128 R129 S130 A333 L348 M349L122-N126 PolarHBondContact O-N 2.83Å; L122-N126 VanDerWaalsContact O-N 3.15Å; T123-N126 PolarHBondContact O-N 3.2Å; N126-F128 VanDerWaalsContact C-N 3.34Å; N126-R129 PolarHBondContact O-N 3.15Å; N126-S130 WeakPolarHBondContact O-CB 3.18Å; N126-S130 PolarHBondContact O-N 2.77Å; N126-S130 PolarHBondContact O-OG 3.47Å; N126-A333 WeakPolarHBondContact OD1-CB 3.43Å; N126-L348 HydrophobicContact CB-CD1 4.4Å; N126-L348 HydrophobicContact CB-CD2 3.86Å; N126-M349 HydrophobicContact CB-SD 4.05Å; N126-M349 VanDerWaalsContact ND2-CG 3.35Å; N126-M349 WeakPolarHBondContact ND2-CG 3.27Å; N126-M349 PolarHBondContact ND2-SD 3.41Å
127I94.7Very high94Very high76 Ų7630.9 Ų30.939%0.3919%0.191SC..Hα-helixtrans-61.1-47.3171.2-67.4167.5000109.5T123 G124 R129 S130 E131T123-I127 HydrophobicContact CG2-CD1 4.22Å; T123-I127 WeakPolarHBondContact O-CG1 3.47Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.09Å; G124-I127 PolarHBondContact O-N 2.99Å; I127-R129 PolarHBondContact O-N 2.84Å; I127-S130 PolarHBondContact O-N 2.88Å; I127-S130 VanDerWaalsContact O-N 3.14Å; I127-E131 HydrophobicContact CG2-CG 4.45Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.04Å; I127-E131 PolarHBondContact O-N 2.84Å
128F96.3Very high94Very high0 Ų033.6 Ų33.60%020%0.204CC..Hα-helixtrans-61.5-41.5179.3-176.8-132000113.2L58 F92 R98 A101 A102 L105 L113 G124 A125 N126 E131 W132 L135 L156L58-F128 HydrophobicContact CD2-CE1 4.31Å; F92-F128 HydrophobicContact CE1-CB 4.31Å; F92-F128 HydrophobicContact CE2-CD1 4.37Å; F92-F128 HydrophobicContact CE2-CD2 4.14Å; F92-F128 HydrophobicContact CE2-CE1 4.47Å; F92-F128 HydrophobicContact CE2-CE2 4.27Å; F92-F128 HydrophobicContact CE2-CG 4.19Å; F92-F128 HydrophobicContact CE2-CZ 4.41Å; F92-F128 HydrophobicContact CZ-CB 3.76Å; F92-F128 AromaticContact CZ-CD1 3.86Å; F92-F128 HydrophobicContact CZ-CD1 3.86Å; F92-F128 AromaticContact CZ-CD2 3.94Å; F92-F128 HydrophobicContact CZ-CD2 3.94Å; F92-F128 HydrophobicContact CZ-CE1 4.39Å; F92-F128 HydrophobicContact CZ-CE2 4.48Å; F92-F128 AromaticContact CZ-CG 3.59Å; F92-F128 HydrophobicContact CZ-CG 3.59Å; R98-F128 HydrophobicContact CB-CD2 4.02Å; R98-F128 HydrophobicContact CB-CE2 4.21Å; R98-F128 HydrophobicContact CG-CD2 4.23Å; R98-F128 VanDerWaalsContact O-CE2 3.28Å; R98-F128 WeakPolarHBondContact O-CE2 3.15Å; A101-F128 HydrophobicContact CB-CE2 4.34Å; A101-F128 HydrophobicContact CB-CZ 4.03Å; A102-F128 HydrophobicContact CB-CE2 4.03Å; A102-F128 HydrophobicContact CB-CZ 4.13Å; L105-F128 HydrophobicContact CD1-CE1 3.75Å; L105-F128 HydrophobicContact CD1-CZ 4.09Å; L113-F128 HydrophobicContact CD2-CE1 4.5Å; G124-F128 WeakPolarHBondContact O-CB 3.33Å; G124-F128 PolarHBondContact O-N 3.17Å; A125-F128 PolarHBondContact O-N 3.2Å; N126-F128 VanDerWaalsContact C-N 3.34Å; F128-E131 PolarHBondContact O-N 2.93Å; F128-W132 HydrophobicContact CE1-CE3 4.36Å; F128-W132 HydrophobicContact CE1-CZ3 4.08Å; F128-W132 HydrophobicContact CE2-CE3 4.23Å; F128-W132 HydrophobicContact CE2-CZ3 4.29Å; F128-W132 AromaticContact CZ-CE3 4Å; F128-W132 HydrophobicContact CZ-CE3 4Å; F128-W132 AromaticContact CZ-CZ3 3.67Å; F128-W132 HydrophobicContact CZ-CZ3 3.67Å; F128-W132 PolarHBondContact O-N 3.18Å; F128-W132 VanDerWaalsContact O-N 3.11Å; F128-L135 HydrophobicContact CD2-CD1 3.91Å; F128-L135 HydrophobicContact CE2-CD1 3.86Å; F128-L156 HydrophobicContact CD1-CD2 3.61Å; F128-L156 HydrophobicContact CE1-CD2 3.75Å; F128-L156 HydrophobicContact CG-CD2 4.39Å
129R95.1Very high94.1Very high53 Ų5333.2 Ų33.220%0.220%0.2CC..Hα-helixtrans-60.2-45.7170.5173.2175.1-176.3-85.5-5.3112.6A125 N126 I127 E131 W132 L156 I158 P329 T331A125-R129 PolarHBondContact O-N 3.27Å; N126-R129 PolarHBondContact O-N 3.15Å; I127-R129 PolarHBondContact O-N 2.84Å; R129-E131 VanDerWaalsContact C-N 3.32Å; R129-E131 PolarHBondContact O-N 2.89Å; R129-W132 WeakPolarHBondContact O-CB 3.39Å; R129-W132 PolarHBondContact O-N 2.95Å; R129-L156 HydrophobicContact CB-CD2 4.46Å; R129-L156 VanDerWaalsContact CD-O 3.25Å; R129-L156 WeakPolarHBondContact CD-O 3.36Å; R129-L156 VanDerWaalsContact CG-O 3.3Å; R129-L156 WeakPolarHBondContact CG-O 3.29Å; R129-L156 PolarHBondContact NE-O 2.79Å; R129-L156 VanDerWaalsContact NE-O 3.15Å; R129-I158 HydrophobicContact CB-CG1 3.75Å; R129-I158 HydrophobicContact CG-CG1 4.36Å; R129-P329 PolarHBondContact NH2-O 3.36Å; R129-T331 PolarHBondContact NH2-O 3.07Å
130S93.8Very high94.5Very high83 Ų8332.9 Ų32.958%0.5820%0.199SC*.Hα-helixtrans-66.1-35.4-178.2-55.10000112.3N126 I127N126-S130 WeakPolarHBondContact O-CB 3.18Å; N126-S130 PolarHBondContact O-N 2.77Å; N126-S130 PolarHBondContact O-OG 3.47Å; I127-S130 PolarHBondContact O-N 2.88Å; I127-S130 VanDerWaalsContact O-N 3.14Å
131E95.7Very high94.8Very high38 Ų3835 Ų3518%0.17821%0.212CC..Hα-helixtrans-79.2-15.4176.3-70.3-175.9-156.700113.4R95 R98 I127 F128 R129 G133 S134 L135R95-E131 IonicContact CZ-OE2 2.88Å; R95-E131 VanDerWaalsContact NH1-CD 3.34Å; R95-E131 IonicContact NH1-OE2 3.88Å; R95-E131 PolarHBondContact NH1-OE2 3.24Å; R98-E131 IonicContact CZ-OE1 3.73Å; R98-E131 IonicContact CZ-OE2 2.83Å; R98-E131 IonicContact NE-OE1 3.81Å; R98-E131 PolarHBondContact NE-OE1 2.95Å; R98-E131 IonicContact NE-OE2 3.48Å; R98-E131 PolarHBondContact NE-OE2 2.92Å; R98-E131 IonicContact NH2-OE1 3.95Å; R98-E131 PolarHBondContact NH2-OE1 3.07Å; R98-E131 IonicContact NH2-OE2 3.46Å; R98-E131 PolarHBondContact NH2-OE2 3.21Å; R98-E131 VanDerWaalsContact NH2-OE2 3.14Å; I127-E131 HydrophobicContact CG2-CG 4.45Å; I127-E131 WeakPolarHBondContact CG2-OE1 3.04Å; I127-E131 PolarHBondContact O-N 2.84Å; F128-E131 PolarHBondContact O-N 2.93Å; R129-E131 VanDerWaalsContact C-N 3.32Å; R129-E131 PolarHBondContact O-N 2.89Å; E131-G133 PolarHBondContact O-N 3.33Å; E131-S134 PolarHBondContact O-N 3.38Å; E131-S134 VanDerWaalsContact O-N 3.09Å; E131-S134 PolarHBondContact O-OG 2.99Å; E131-L135 HydrophobicContact CB-CD1 3.96Å; E131-L135 HydrophobicContact CB-CG 4.1Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 2.83Å
132W95.8Very high94.7Very high3 Ų338.6 Ų38.61%0.01123%0.228CC..Hα-helixtrans-46.8-55.1-166.2-176.3-101.5000115A102 L105 V106 F128 R129 S134 L135 L136 Y153 L156A102-W132 HydrophobicContact CB-CE3 4.07Å; A102-W132 HydrophobicContact CB-CH2 4.27Å; A102-W132 HydrophobicContact CB-CZ3 3.67Å; L105-W132 HydrophobicContact CB-CH2 4.06Å; L105-W132 HydrophobicContact CD1-CH2 4.26Å; L105-W132 HydrophobicContact CD1-CZ3 4.1Å; V106-W132 HydrophobicContact CG2-CH2 4.03Å; V106-W132 HydrophobicContact CG2-CZ2 3.88Å; F128-W132 HydrophobicContact CE1-CE3 4.36Å; F128-W132 HydrophobicContact CE1-CZ3 4.08Å; F128-W132 HydrophobicContact CE2-CE3 4.23Å; F128-W132 HydrophobicContact CE2-CZ3 4.29Å; F128-W132 AromaticContact CZ-CE3 4Å; F128-W132 HydrophobicContact CZ-CE3 4Å; F128-W132 AromaticContact CZ-CZ3 3.67Å; F128-W132 HydrophobicContact CZ-CZ3 3.67Å; F128-W132 PolarHBondContact O-N 3.18Å; F128-W132 VanDerWaalsContact O-N 3.11Å; R129-W132 WeakPolarHBondContact O-CB 3.39Å; R129-W132 PolarHBondContact O-N 2.95Å; W132-S134 PolarHBondContact O-N 2.97Å; W132-L135 WeakPolarHBondContact O-CB 3.31Å; W132-L135 PolarHBondContact O-N 2.94Å; W132-L136 HydrophobicContact CZ2-CD2 4.29Å; W132-L136 PolarHBondContact O-N 2.99Å; W132-Y153 PolarHBondContact NE1-O 3.48Å; W132-L156 HydrophobicContact CB-CB 4.26Å; W132-L156 HydrophobicContact CD2-CB 3.63Å; W132-L156 HydrophobicContact CD2-CD2 4.3Å; W132-L156 HydrophobicContact CD2-CG 4.43Å; W132-L156 HydrophobicContact CE3-CB 3.96Å; W132-L156 HydrophobicContact CE3-CD1 4.46Å; W132-L156 HydrophobicContact CE3-CD2 3.75Å; W132-L156 HydrophobicContact CE3-CG 4.27Å; W132-L156 HydrophobicContact CG-CB 3.76Å; W132-L156 HydrophobicContact CH2-CD1 4.29Å; W132-L156 HydrophobicContact CZ3-CD1 4.22Å; W132-L156 HydrophobicContact CZ3-CD2 4.06Å
133G94Very high94.7Very high35 Ų3541.8 Ų41.836%0.36126%0.261SS..Hα-helixtrans-56.6-48.2-178.900000112.5E131 L135 L136 E137E131-G133 PolarHBondContact O-N 3.33Å; G133-L135 VanDerWaalsContact C-N 3.3Å; G133-L135 PolarHBondContact O-N 3.33Å; G133-L136 WeakPolarHBondContact O-CB 3.13Å; G133-L136 PolarHBondContact O-N 3.05Å; G133-L136 VanDerWaalsContact O-N 3.09Å; G133-E137 WeakPolarHBondContact O-CG 3.34Å; G133-E137 PolarHBondContact O-N 2.71Å
134S96.1Very high94.7Very high38 Ų3845 Ų4527%0.26627%0.273SS..Hα-helixtrans-64.9-28.7177.168.70000113.9R95 E131 W132 E138R95-S134 PolarHBondContact NH1-OG 2.82Å; R95-S134 VanDerWaalsContact NH2-CB 3.33Å; R95-S134 PolarHBondContact NH2-OG 3.19Å; E131-S134 PolarHBondContact O-N 3.38Å; E131-S134 VanDerWaalsContact O-N 3.09Å; E131-S134 PolarHBondContact O-OG 2.99Å; W132-S134 PolarHBondContact O-N 2.97Å; S134-E138 WeakPolarHBondContact O-CG 3.27Å; S134-E138 PolarHBondContact O-N 3.09Å
135L96.4Very high94.8Very high0 Ų044.9 Ų44.90%027%0.268CS..Hα-helixtrans-72-34.2173.2-63.1171.9000111.4R95 R98 R99 A102 F128 E131 W132 G133 L139R95-L135 HydrophobicContact CG-CD2 3.86Å; R98-L135 HydrophobicContact CB-CD1 4.05Å; R99-L135 HydrophobicContact CB-CD2 4.01Å; A102-L135 HydrophobicContact CB-CB 4.25Å; A102-L135 HydrophobicContact CB-CD1 4.39Å; F128-L135 HydrophobicContact CD2-CD1 3.91Å; F128-L135 HydrophobicContact CE2-CD1 3.86Å; E131-L135 HydrophobicContact CB-CD1 3.96Å; E131-L135 HydrophobicContact CB-CG 4.1Å; E131-L135 WeakPolarHBondContact O-CG 3.34Å; E131-L135 PolarHBondContact O-N 2.83Å; W132-L135 WeakPolarHBondContact O-CB 3.31Å; W132-L135 PolarHBondContact O-N 2.94Å; G133-L135 VanDerWaalsContact C-N 3.3Å; G133-L135 PolarHBondContact O-N 3.33Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 3.44Å; L135-L139 VanDerWaalsContact O-N 3.12Å
136L95.4Very high94.7Very high5 Ų547.4 Ų47.43%0.02629%0.285CS..Hα-helixtrans-70.2-40.4173.7-61.2-174.7000111.9V106 W132 G133 E138 L139 V140 I145 A150 Y153V106-L136 HydrophobicContact CG2-CD2 3.73Å; W132-L136 HydrophobicContact CZ2-CD2 4.29Å; W132-L136 PolarHBondContact O-N 2.99Å; G133-L136 WeakPolarHBondContact O-CB 3.13Å; G133-L136 PolarHBondContact O-N 3.05Å; G133-L136 VanDerWaalsContact O-N 3.09Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.99Å; L136-L139 HydrophobicContact CD2-CD1 4.36Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-L139 VanDerWaalsContact O-N 3.14Å; L136-V140 WeakPolarHBondContact O-CG2 3.4Å; L136-V140 PolarHBondContact O-N 2.99Å; L136-I145 HydrophobicContact CB-CD1 4.28Å; L136-I145 HydrophobicContact CD2-CD1 3.88Å; L136-A150 HydrophobicContact CB-CB 4.24Å; L136-A150 HydrophobicContact CD1-CB 4.49Å; L136-Y153 WeakPolarHBondContact CD1-O 3.45Å
137E94.9Very high94.6Very high137 Ų13752.8 Ų52.864%0.6431%0.309SS*.Hα-helixtrans-57-46173.6-70.9167.3-175.100111.5G133 L139 V140 A141G133-E137 WeakPolarHBondContact O-CG 3.34Å; G133-E137 PolarHBondContact O-N 2.71Å; E137-L139 PolarHBondContact O-N 2.74Å; E137-V140 PolarHBondContact O-N 2.78Å; E137-A141 WeakPolarHBondContact O-CB 3.39Å; E137-A141 PolarHBondContact O-N 2.68Å
138E95.3Very high94.5Very high58 Ų5853.6 Ų53.627%0.27132%0.318SS..Hα-helixtrans-61-40.8173.8-73.5176.4-145.500112.6R95 R99 S134 L136 A141 E142R95-E138 IonicContact CZ-OE1 3.24Å; R95-E138 IonicContact NE-OE1 2.72Å; R95-E138 PolarHBondContact NE-OE1 3.26Å; R95-E138 IonicContact NH2-OE1 2.73Å; R95-E138 PolarHBondContact NH2-OE1 2.89Å; R99-E138 VanDerWaalsContact CD-OE2 3.31Å; R99-E138 WeakPolarHBondContact CD-OE2 3.25Å; R99-E138 IonicContact NH1-OE2 2.74Å; S134-E138 WeakPolarHBondContact O-CG 3.27Å; S134-E138 PolarHBondContact O-N 3.09Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.99Å; E138-A141 PolarHBondContact O-N 3.47Å; E138-E142 WeakPolarHBondContact O-CG 3.35Å; E138-E142 PolarHBondContact O-N 3.36Å
139L95.1Very high94.2Very high1 Ų155.5 Ų55.51%0.00533%0.33CS..Hα-helixtrans-69.8-31.1178.4-72.7169.6000113.2R99 A102 Y103 L135 L136 E137 G143 K144 I145R99-L139 HydrophobicContact CG-CD1 4.38Å; R99-L139 HydrophobicContact CG-CD2 3.79Å; R99-L139 HydrophobicContact CG-CG 3.82Å; A102-L139 HydrophobicContact CB-CD1 4.27Å; Y103-L139 HydrophobicContact CD2-CD2 4.31Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 3.44Å; L135-L139 VanDerWaalsContact O-N 3.12Å; L136-L139 HydrophobicContact CD2-CD1 4.36Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-L139 VanDerWaalsContact O-N 3.14Å; E137-L139 PolarHBondContact O-N 2.74Å; L139-G143 PolarHBondContact O-N 3.01Å; L139-K144 HydrophobicContact CD2-CB 4.07Å; L139-K144 HydrophobicContact CD2-CD 3.68Å; L139-K144 PolarHBondContact O-N 3.19Å; L139-I145 HydrophobicContact CB-CD1 3.74Å; L139-I145 HydrophobicContact CB-CG1 3.83Å; L139-I145 HydrophobicContact CD1-CD1 4.37Å; L139-I145 PolarHBondContact O-N 3.02Å
140V95.7Very high94Very high40 Ų4053.7 Ų53.724%0.24233%0.326CS..Hα-helixtrans-69.5-45.5170.9171.30000110.1L136 E137 E142 G143 I145 E147 A150L136-V140 WeakPolarHBondContact O-CG2 3.4Å; L136-V140 PolarHBondContact O-N 2.99Å; E137-V140 PolarHBondContact O-N 2.78Å; V140-E142 VanDerWaalsContact C-N 3.29Å; V140-E142 PolarHBondContact O-N 2.61Å; V140-G143 WeakPolarHBondContact O-CA 3.38Å; V140-G143 PolarHBondContact O-N 2.79Å; V140-I145 HydrophobicContact CG2-CD1 4.15Å; V140-I145 HydrophobicContact CG2-CG1 3.7Å; V140-E147 HydrophobicContact CG1-CG 3.8Å; V140-A150 HydrophobicContact CG2-CB 3.71Å
141A94.6Very high93.8Very high90 Ų9056.1 Ų56.174%0.74433%0.328SS*.Hα-helixtrans-62.8-33178.200000113.1E137 E138 G143E137-A141 WeakPolarHBondContact O-CB 3.39Å; E137-A141 PolarHBondContact O-N 2.68Å; E138-A141 PolarHBondContact O-N 3.47Å; A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 2.86Å
142E92.8Very high93.5Very high90 Ų9059 Ų5942%0.42135%0.349SS..THydrogen-bonded Turntrans-78.1-3171.1-72.3-168.7156.700114.2R99 E138 V140 K144R99-E142 VanDerWaalsContact CZ-CD 3.45Å; R99-E142 IonicContact CZ-OE1 3.86Å; R99-E142 IonicContact CZ-OE2 3.67Å; R99-E142 VanDerWaalsContact CZ-OE2 3.29Å; R99-E142 IonicContact NE-OE2 3.24Å; R99-E142 IonicContact NH1-OE1 3.24Å; R99-E142 PolarHBondContact NH1-OE1 2.97Å; R99-E142 IonicContact NH1-OE2 3.31Å; R99-E142 PolarHBondContact NH1-OE2 3.15Å; R99-E142 IonicContact NH2-OE1 3.05Å; R99-E142 PolarHBondContact NH2-OE1 3.36Å; R99-E142 IonicContact NH2-OE2 3.48Å; R99-E142 PolarHBondContact NH2-OE2 3.42Å; E138-E142 WeakPolarHBondContact O-CG 3.35Å; E138-E142 PolarHBondContact O-N 3.36Å; V140-E142 VanDerWaalsContact C-N 3.29Å; V140-E142 PolarHBondContact O-N 2.61Å; E142-K144 HydrophobicContact CB-CD 4.28Å; E142-K144 HydrophobicContact CB-CG 4.22Å; E142-K144 PolarHBondContact O-N 3.3Å; E142-K144 WeakPolarHBondContact OE2-CD 3.49Å; E142-K144 VanDerWaalsContact OE2-CE 3.22Å; E142-K144 WeakPolarHBondContact OE2-CE 3.28Å; E142-K144 IonicContact OE2-NZ 2.71Å; E142-K144 PolarHBondContact OE2-NZ 3.46Å
143G92.1Very high93.4Very high67 Ų6762.1 Ų62.169%0.69136%0.361SS*.THydrogen-bonded Turntrans68.616.2-177.100000114.6L139 V140 A141L139-G143 PolarHBondContact O-N 3.01Å; V140-G143 WeakPolarHBondContact O-CA 3.38Å; V140-G143 PolarHBondContact O-N 2.79Å; A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 2.86Å
144K92.8Very high93.2Very high93 Ų9362.7 Ų62.740%0.40436%0.359SS..SBendtrans-79.4-27.8-179.4-75.1176.4177.1162.60113.2Y103 L139 E142Y103-K144 HydrophobicContact CD2-CB 4.07Å; Y103-K144 HydrophobicContact CE2-CB 4Å; L139-K144 HydrophobicContact CD2-CB 4.07Å; L139-K144 HydrophobicContact CD2-CD 3.68Å; L139-K144 PolarHBondContact O-N 3.19Å; E142-K144 HydrophobicContact CB-CD 4.28Å; E142-K144 HydrophobicContact CB-CG 4.22Å; E142-K144 PolarHBondContact O-N 3.3Å; E142-K144 WeakPolarHBondContact OE2-CD 3.49Å; E142-K144 VanDerWaalsContact OE2-CE 3.22Å; E142-K144 WeakPolarHBondContact OE2-CE 3.28Å; E142-K144 IonicContact OE2-NZ 2.71Å; E142-K144 PolarHBondContact OE2-NZ 3.46Å
145I94.3Very high93Very high14 Ų1465.4 Ų65.47%0.07237%0.367CS..SBendtrans-135154.4174.568.4-179.3000109.9Y103 V106 L136 L139 V140 T149 A150Y103-I145 HydrophobicContact CD2-CG2 3.96Å; Y103-I145 HydrophobicContact CE2-CG2 4.26Å; V106-I145 HydrophobicContact CG1-CG2 4.09Å; L136-I145 HydrophobicContact CB-CD1 4.28Å; L136-I145 HydrophobicContact CD2-CD1 3.88Å; L139-I145 HydrophobicContact CB-CD1 3.74Å; L139-I145 HydrophobicContact CB-CG1 3.83Å; L139-I145 HydrophobicContact CD1-CD1 4.37Å; L139-I145 PolarHBondContact O-N 3.02Å; V140-I145 HydrophobicContact CG2-CD1 4.15Å; V140-I145 HydrophobicContact CG2-CG1 3.7Å; I145-T149 HydrophobicContact CB-CG2 4.43Å; I145-A150 HydrophobicContact CD1-CB 4.05Å
146S93.4Very high93Very high52 Ų5265.6 Ų65.636%0.36437%0.368SS..  trans-79.7155.7173.370.10000111.9T148 T149 A150S146-T148 PolarHBondContact O-N 3.46Å; S146-T148 PolarHBondContact OG-OG1 3.04Å; S146-T149 WeakPolarHBondContact O-CA 3.48Å; S146-T149 WeakPolarHBondContact O-CB 3.47Å; S146-T149 PolarHBondContact O-N 3.12Å; S146-T149 WeakPolarHBondContact OG-CB 3.31Å; S146-T149 PolarHBondContact OG-N 3.36Å; S146-T149 VanDerWaalsContact OG-N 3.09Å; S146-T149 PolarHBondContact OG-OG1 2.98Å; S146-A150 PolarHBondContact O-N 2.94Å
147E91.9Very high93Very high135 Ų13566.3 Ų66.363%0.63137%0.372SS*.Hα-helixtrans-53.8-40.5170.4-69179.2-175.600112.2V140 T149 A150 Q151V140-E147 HydrophobicContact CG1-CG 3.8Å; E147-T149 VanDerWaalsContact C-N 3.29Å; E147-T149 PolarHBondContact O-N 2.83Å; E147-A150 PolarHBondContact O-N 2.88Å; E147-Q151 WeakPolarHBondContact O-CG 3.26Å; E147-Q151 PolarHBondContact O-N 3.14Å
148T92.2Very high93.1Very high93 Ų9360.1 Ų60.157%0.57134%0.344SS*.Hα-helixtrans-63.2-35.2176.957.80000112.5S146 T152S146-T148 PolarHBondContact O-N 3.46Å; S146-T148 PolarHBondContact OG-OG1 3.04Å; T148-T152 WeakPolarHBondContact O-CB 3.49Å; T148-T152 PolarHBondContact O-N 3.18Å; T148-T152 PolarHBondContact O-OG1 2.91Å
149T90.8Very high93.2Very high40 Ų4057.3 Ų57.325%0.24533%0.331CS..Hα-helixtrans-69.9-44.4175.3-55.60000110.4V106 I145 S146 E147 Q151 T152 Y153V106-T149 HydrophobicContact CG1-CG2 3.46Å; V106-T149 VanDerWaalsContact CG1-CG2 3.46Å; I145-T149 HydrophobicContact CB-CG2 4.43Å; S146-T149 WeakPolarHBondContact O-CA 3.48Å; S146-T149 WeakPolarHBondContact O-CB 3.47Å; S146-T149 PolarHBondContact O-N 3.12Å; S146-T149 WeakPolarHBondContact OG-CB 3.31Å; S146-T149 PolarHBondContact OG-N 3.36Å; S146-T149 VanDerWaalsContact OG-N 3.09Å; S146-T149 PolarHBondContact OG-OG1 2.98Å; E147-T149 VanDerWaalsContact C-N 3.29Å; E147-T149 PolarHBondContact O-N 2.83Å; T149-Q151 PolarHBondContact O-N 3.33Å; T149-T152 PolarHBondContact O-N 3.47Å; T149-Y153 HydrophobicContact CG2-CD2 3.78Å; T149-Y153 HydrophobicContact CG2-CE2 3.96Å; T149-Y153 WeakPolarHBondContact O-CD2 3.48Å; T149-Y153 PolarHBondContact O-N 2.83Å
150A90.6Very high93.3Very high15 Ų1557.3 Ų57.312%0.12433%0.33CS..Hα-helixtrans-62.7-39.8176.700000112.3L136 V140 I145 S146 E147 Y153 S154L136-A150 HydrophobicContact CB-CB 4.24Å; L136-A150 HydrophobicContact CD1-CB 4.49Å; V140-A150 HydrophobicContact CG2-CB 3.71Å; I145-A150 HydrophobicContact CD1-CB 4.05Å; S146-A150 PolarHBondContact O-N 2.94Å; E147-A150 PolarHBondContact O-N 2.88Å; A150-Y153 CarbonylContact O-C 3.6Å; A150-S154 WeakPolarHBondContact O-CA 3.49Å; A150-S154 WeakPolarHBondContact O-CB 3.29Å; A150-S154 PolarHBondContact O-N 3.34Å
151Q90.1Very high93.3Very high135 Ų13555.4 Ų55.463%0.63132%0.319SS*.Hα-helixtrans-65.9-43.9174.3-72.3172.68.600112.2E147 T149 Y153 S154E147-Q151 WeakPolarHBondContact O-CG 3.26Å; E147-Q151 PolarHBondContact O-N 3.14Å; T149-Q151 PolarHBondContact O-N 3.33Å; Q151-Y153 VanDerWaalsContact C-N 3.29Å; Q151-Y153 PolarHBondContact O-N 3.47Å; Q151-S154 VanDerWaalsContact O-CB 3.31Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 2.97Å; Q151-S154 PolarHBondContact O-OG 3.33Å
152T90.3Very high93.4Very high98 Ų9851.1 Ų51.160%0.60128%0.284SS*.Hα-helixtrans-62.5-36.3179.8-57.40000112.2T148 T149T148-T152 WeakPolarHBondContact O-CB 3.49Å; T148-T152 PolarHBondContact O-N 3.18Å; T148-T152 PolarHBondContact O-OG1 2.91Å; T149-T152 PolarHBondContact O-N 3.47Å
153Y92.4Very high93.5Very high69 Ų6947 Ų4727%0.27127%0.265SS..THydrogen-bonded Turntrans-113.331-177.5-53.8-52.6000112.7V106 T111 W132 L136 T149 A150 Q151 H155V106-Y153 HydrophobicContact CG1-CD2 3.95Å; V106-Y153 HydrophobicContact CG1-CE2 4.49Å; T111-Y153 HydrophobicContact CG2-CD1 3.53Å; T111-Y153 HydrophobicContact CG2-CG 4.04Å; W132-Y153 PolarHBondContact NE1-O 3.48Å; L136-Y153 WeakPolarHBondContact CD1-O 3.45Å; T149-Y153 HydrophobicContact CG2-CD2 3.78Å; T149-Y153 HydrophobicContact CG2-CE2 3.96Å; T149-Y153 WeakPolarHBondContact O-CD2 3.48Å; T149-Y153 PolarHBondContact O-N 2.83Å; A150-Y153 CarbonylContact O-C 3.6Å; Q151-Y153 VanDerWaalsContact C-N 3.29Å; Q151-Y153 PolarHBondContact O-N 3.47Å; Y153-H155 PolarHBondContact O-N 3.2Å
154S90.7Very high93.7Very high47 Ų4744 Ų4433%0.32923%0.233SC..  trans-60.3-17.2-171.540.30000115.8A150 Q151A150-S154 WeakPolarHBondContact O-CA 3.49Å; A150-S154 WeakPolarHBondContact O-CB 3.29Å; A150-S154 PolarHBondContact O-N 3.34Å; Q151-S154 VanDerWaalsContact O-CB 3.31Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 2.97Å; Q151-S154 PolarHBondContact O-OG 3.33Å
155H92.3Very high93.8Very high94 Ų9439.6 Ų39.644%0.43521%0.214SC..  trans-132.2142.5-177.2-56.3-68.8000112T111 Y153T111-H155 WeakPolarHBondContact CB-O 3.41Å; Y153-H155 PolarHBondContact O-N 3.2Å
156L95.1Very high93.8Very high4 Ų439 Ų392%0.02121%0.211CC..  trans-110.5122.6172.2-175.870.7000110.2L105 T111 L113 F128 R129 W132 I158L105-L156 HydrophobicContact CD1-CD1 4.4Å; T111-L156 WeakPolarHBondContact O-CA 3.28Å; L113-L156 HydrophobicContact CB-CD1 4.3Å; F128-L156 HydrophobicContact CD1-CD2 3.61Å; F128-L156 HydrophobicContact CE1-CD2 3.75Å; F128-L156 HydrophobicContact CG-CD2 4.39Å; R129-L156 HydrophobicContact CB-CD2 4.46Å; R129-L156 VanDerWaalsContact CD-O 3.25Å; R129-L156 WeakPolarHBondContact CD-O 3.36Å; R129-L156 VanDerWaalsContact CG-O 3.3Å; R129-L156 WeakPolarHBondContact CG-O 3.29Å; R129-L156 PolarHBondContact NE-O 2.79Å; R129-L156 VanDerWaalsContact NE-O 3.15Å; W132-L156 HydrophobicContact CB-CB 4.26Å; W132-L156 HydrophobicContact CD2-CB 3.63Å; W132-L156 HydrophobicContact CD2-CD2 4.3Å; W132-L156 HydrophobicContact CD2-CG 4.43Å; W132-L156 HydrophobicContact CE3-CB 3.96Å; W132-L156 HydrophobicContact CE3-CD1 4.46Å; W132-L156 HydrophobicContact CE3-CD2 3.75Å; W132-L156 HydrophobicContact CE3-CG 4.27Å; W132-L156 HydrophobicContact CG-CB 3.76Å; W132-L156 HydrophobicContact CH2-CD1 4.29Å; W132-L156 HydrophobicContact CZ3-CD1 4.22Å; W132-L156 HydrophobicContact CZ3-CD2 4.06Å; L156-I158 HydrophobicContact CD2-CD1 3.92Å; L156-I158 HydrophobicContact CG-CD1 4.12Å
157N95.9Very high93.9Very high20 Ų2037.2 Ų37.211%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-92.9135173.4-65.2-26.9000110T111 N112 L113 L324 A327T111-N157 PolarHBondContact O-N 3.26Å; N112-N157 WeakPolarHBondContact OD1-CB 3.34Å; N112-N157 PolarHBondContact OD1-ND2 3.29Å; L113-N157 PolarHBondContact N-O 3.11Å; N157-L324 HydrophobicContact CB-CD2 3.82Å; N157-A327 HydrophobicContact CB-CB 4.09Å
158I96.4Very high93.8Very high7 Ų731.3 Ų31.34%0.03617%0.17CC..EExtended strand (participates in β ladder)trans-122.3127.4-179.9-62.7-64.3000110L113 A125 R129 L156 A333 C334 L348L113-I158 HydrophobicContact CB-CD1 3.89Å; L113-I158 HydrophobicContact CD2-CD1 3.99Å; L113-I158 HydrophobicContact CG-CD1 4.26Å; L113-I158 WeakPolarHBondContact O-CA 3.4Å; A125-I158 HydrophobicContact CB-CD1 4.3Å; A125-I158 HydrophobicContact CB-CG2 3.95Å; R129-I158 HydrophobicContact CB-CG1 3.75Å; R129-I158 HydrophobicContact CG-CG1 4.36Å; L156-I158 HydrophobicContact CD2-CD1 3.92Å; L156-I158 HydrophobicContact CG-CD1 4.12Å; I158-A333 HydrophobicContact CB-CB 3.9Å; I158-A333 HydrophobicContact CG2-CB 4.13Å; I158-C334 PolarHBondContact O-N 3.41Å; I158-L348 HydrophobicContact CG2-CD1 4.31Å
159A97.1Very high93.7Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-119.8124.4163.200000109.5L113 C114 V115 A320 L324 C334L113-A159 PolarHBondContact O-N 3.2Å; L113-A159 VanDerWaalsContact O-N 3.16Å; C114-A159 WeakPolarHBondContact CA-O 3.47Å; V115-A159 PolarHBondContact N-O 3.15Å; A159-A320 HydrophobicContact CB-CB 4.06Å; A159-L324 HydrophobicContact CB-CD1 4.13Å; A159-L324 HydrophobicContact CB-CD2 3.86Å; A159-L324 HydrophobicContact CB-CG 3.69Å; A159-C334 CarbonylContact C-O 3.55Å; A159-C334 WeakPolarHBondContact CA-O 3.4Å
160G96.8Very high93.6Very high0 Ų025.6 Ų25.60%014%0.135CC..EExtended strand (participates in β ladder)trans-96.2139177.100000112.5V115 L122 C334 V335 V336V115-G160 CarbonylContact O-C 3.43Å; V115-G160 WeakPolarHBondContact O-CA 3.32Å; L122-G160 VanDerWaalsContact CD2-CA 3.44Å; G160-C334 PolarHBondContact N-O 2.64Å; G160-V335 WeakPolarHBondContact O-CA 3.28Å; G160-V336 PolarHBondContact O-N 3.19Å
161L97.1Very high93.3Very high0 Ų025.8 Ų25.80%014%0.138CC..EExtended strand (participates in β ladder)trans-119.2127.4165.5-60.4-173.2000108.9A33 V37 V115 I116 G117 G163 I176 M316 A320 V336A33-L161 HydrophobicContact CB-CD1 3.84Å; V37-L161 HydrophobicContact CG2-CD1 4.29Å; V115-L161 PolarHBondContact O-N 3.25Å; I116-L161 WeakPolarHBondContact CA-O 3.26Å; I116-L161 HydrophobicContact CB-CB 4.44Å; I116-L161 HydrophobicContact CD1-CD1 4.29Å; I116-L161 HydrophobicContact CG1-CB 4.17Å; I116-L161 HydrophobicContact CG1-CD1 4.1Å; I116-L161 HydrophobicContact CG1-CG 4.42Å; I116-L161 HydrophobicContact CG2-CB 4.23Å; G117-L161 PolarHBondContact N-O 3.45Å; L161-G163 PolarHBondContact O-N 2.82Å; L161-G163 VanDerWaalsContact O-N 3.15Å; L161-I176 HydrophobicContact CB-CD1 4.33Å; L161-M316 HydrophobicContact CD2-CB 3.79Å; L161-A320 HydrophobicContact CD2-CB 3.96Å; L161-A320 HydrophobicContact CG-CB 4.37Å; L161-V336 HydrophobicContact CD2-CB 3.7Å; L161-V336 HydrophobicContact CD2-CG2 4.04Å
162V96.1Very high93.2Very high1 Ų120 Ų201%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-82.199.3-176-163.30000110.8G117 L122 F169 T175 I176 V335G117-V162 WeakPolarHBondContact O-CA 3.24Å; L122-V162 HydrophobicContact CD1-CG2 4.03Å; V162-F169 HydrophobicContact CG1-CB 3.75Å; V162-F169 HydrophobicContact CG1-CD1 4.3Å; V162-F169 HydrophobicContact CG1-CD2 4.24Å; V162-F169 HydrophobicContact CG1-CG 3.86Å; V162-F169 HydrophobicContact CG2-CD1 3.57Å; V162-F169 HydrophobicContact CG2-CD2 4.44Å; V162-F169 HydrophobicContact CG2-CE1 3.7Å; V162-F169 HydrophobicContact CG2-CG 3.95Å; V162-F169 HydrophobicContact CG2-CZ 4.22Å; V162-T175 HydrophobicContact CB-CG2 3.92Å; V162-T175 HydrophobicContact CG1-CG2 3.42Å; V162-T175 VanDerWaalsContact CG1-CG2 3.42Å; V162-I176 WeakPolarHBondContact O-CB 3.33Å; V162-I176 PolarHBondContact O-N 3.4Å; V162-V335 HydrophobicContact CG2-CG1 3.55Å
163G95.8Very high93.2Very high2 Ų218 Ų182%0.02110%0.098CC..EExtended strand (participates in β ladder)trans-95.3100.7172.100000110.5G117 G118 L161G117-G163 CarbonylContact C-O 3.48Å; G117-G163 PolarHBondContact O-N 2.98Å; G118-G163 PolarHBondContact N-O 3.22Å; L161-G163 PolarHBondContact O-N 2.82Å; L161-G163 VanDerWaalsContact O-N 3.15Å
164S94.9Very high93.1Very high5 Ų515.8 Ų15.84%0.0359%0.09CC..EExtended strand (participates in β ladder)trans-157.4142.7179.2-1730000109.7D166 T175 I176 T178S164-D166 PolarHBondContact OG-N 3.47Å; S164-D166 VanDerWaalsContact OG-N 3.16Å; S164-D166 PolarHBondContact OG-OD2 3.32Å; S164-T175 WeakPolarHBondContact O-CB 3.26Å; S164-T175 PolarHBondContact O-OG1 3.21Å; S164-I176 CarbonylContact C-O 3.51Å; S164-I176 PolarHBondContact N-O 3Å; S164-I176 CarbonylContact O-C 3.54Å; S164-T178 PolarHBondContact O-OG1 3.06Å
165I96.1Very high93.3Very high0 Ų013.5 Ų13.50%08%0.075CC..SBendtrans-80.2-23.6168.964.3163.4000111.7A27 N167 T178 A181 M208 L215 Q300 R301A27-I165 HydrophobicContact CB-CG2 4.1Å; I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 3.35Å; I165-T178 VanDerWaalsContact C-OG1 3.29Å; I165-T178 PolarHBondContact O-OG1 3.31Å; I165-A181 HydrophobicContact CB-CB 3.74Å; I165-A181 HydrophobicContact CD1-CB 4.46Å; I165-A181 HydrophobicContact CG2-CB 3.87Å; I165-M208 HydrophobicContact CD1-CB 4Å; I165-M208 HydrophobicContact CD1-SD 4.06Å; I165-L215 HydrophobicContact CB-CD1 4.43Å; I165-L215 HydrophobicContact CD1-CD1 4.26Å; I165-L215 HydrophobicContact CG1-CD1 4.35Å; I165-L215 WeakPolarHBondContact O-CD1 3.3Å; I165-Q300 HydrophobicContact CD1-CB 4.27Å; I165-R301 HydrophobicContact CD1-CG 3.71Å; I165-R301 HydrophobicContact CG1-CG 4.44Å; I165-R301 HydrophobicContact CG2-CG 4.44Å
166D94.6Very high93.5Very high1 Ų19 Ų91%0.0055%0.054CC..SBendtrans-73.5-20.8-163.3-56.7-40.5000113.1S164 D168 G209 R210 R301S164-D166 PolarHBondContact OG-N 3.47Å; S164-D166 VanDerWaalsContact OG-N 3.16Å; S164-D166 PolarHBondContact OG-OD2 3.32Å; D166-D168 HydrophobicContact CB-CB 4.2Å; D166-D168 PolarHBondContact O-N 2.9Å; D166-G209 VanDerWaalsContact OD1-CA 3.3Å; D166-G209 WeakPolarHBondContact OD1-CA 3.43Å; D166-R210 IonicContact OD2-CZ 2.72Å; D166-R210 IonicContact OD2-NE 3.53Å; D166-R210 IonicContact OD2-NH2 2.73Å; D166-R301 IonicContact OD2-NH2 2.94Å
167N94.1Very high93.6Very high15 Ų158.9 Ų8.98%0.085%0.053CC..  trans51.337.8-170.6-15031.2000113.8I165 D173 M174 T175 T178 Y214I165-N167 VanDerWaalsContact C-N 3.31Å; I165-N167 PolarHBondContact O-N 3.35Å; N167-D173 PolarHBondContact ND2-O 3.27Å; N167-M174 VanDerWaalsContact OD1-CA 3.28Å; N167-M174 WeakPolarHBondContact OD1-CA 3.29Å; N167-T175 WeakPolarHBondContact CA-OG1 3.44Å; N167-T175 PolarHBondContact N-OG1 2.9Å; N167-T175 PolarHBondContact OD1-N 3.3Å; N167-T175 PolarHBondContact OD1-OG1 2.88Å; N167-T178 HydrophobicContact CB-CG2 3.84Å; N167-Y214 HydrophobicContact CB-CD1 3.68Å; N167-Y214 HydrophobicContact CB-CD2 4.5Å; N167-Y214 HydrophobicContact CB-CE1 4.22Å; N167-Y214 HydrophobicContact CB-CG 3.85Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.25Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.38Å; N167-Y214 VanDerWaalsContact ND2-CZ 3.31Å
168D90.7Very high93.6Very high11 Ų117.9 Ų7.96%0.0595%0.048CC..  trans-91.4-7.7-173.364.6-27.8000114.2D166 R210 C212 T355 R374D166-D168 HydrophobicContact CB-CB 4.2Å; D166-D168 PolarHBondContact O-N 2.9Å; D168-R210 IonicContact OD2-CZ 2.91Å; D168-R210 IonicContact OD2-NE 2.67Å; D168-R210 IonicContact OD2-NH1 3.21Å; D168-R210 PolarHBondContact OD2-NH1 3.25Å; D168-C212 HydrophobicContact CB-CB 3.85Å; D168-T355 WeakPolarHBondContact O-CG2 3.48Å; D168-R374 PolarHBondContact O-NH1 3.09Å
169F89.8Confident93.7Very high5 Ų57.7 Ų7.72%0.0225%0.047CC..  trans-89120.1-173.9-167.8-92.1000113.2D119 L122 V162 T172 T175 V335 C351 V352D119-F169 HydrophobicContact CB-CD2 4.09Å; D119-F169 HydrophobicContact CB-CE2 4.42Å; L122-F169 HydrophobicContact CD1-CE2 3.99Å; L122-F169 HydrophobicContact CD1-CZ 4.09Å; V162-F169 HydrophobicContact CG1-CB 3.75Å; V162-F169 HydrophobicContact CG1-CD1 4.3Å; V162-F169 HydrophobicContact CG1-CD2 4.24Å; V162-F169 HydrophobicContact CG1-CG 3.86Å; V162-F169 HydrophobicContact CG2-CD1 3.57Å; V162-F169 HydrophobicContact CG2-CD2 4.44Å; V162-F169 HydrophobicContact CG2-CE1 3.7Å; V162-F169 HydrophobicContact CG2-CG 3.95Å; V162-F169 HydrophobicContact CG2-CZ 4.22Å; F169-T172 HydrophobicContact CD1-CG2 4.5Å; F169-T175 HydrophobicContact CB-CG2 4.07Å; F169-V335 HydrophobicContact CE1-CG1 4.02Å; F169-V335 HydrophobicContact CE1-CG2 4.48Å; F169-V335 HydrophobicContact CZ-CG1 4.4Å; F169-V335 HydrophobicContact CZ-CG2 4.12Å; F169-C351 HydrophobicContact CD1-CB 4.33Å; F169-C351 HydrophobicContact CE1-CB 3.37Å; F169-C351 HydrophobicContact CE2-CB 4.38Å; F169-C351 HydrophobicContact CZ-CB 3.4Å; F169-C351 VanDerWaalsContact CZ-CB 3.4Å; F169-V352 HydrophobicContact CE2-CG2 3.98Å; F169-V352 HydrophobicContact CZ-CG2 4.37Å
170C88.3Confident93.7Very high9 Ų97.8 Ų7.86%0.0615%0.048CC..THydrogen-bonded Turntrans-72.8136.6-178.2-64.90000112.4C351 M354 T355C170-C351 VanDerWaalsContact O-CB 3.22Å; C170-C351 WeakPolarHBondContact O-CB 3.49Å; C170-C351 PolarHBondContact O-SG 3.21Å; C170-M354 HydrophobicContact CB-CB 3.92Å; C170-T355 PolarHBondContact N-OG1 2.74Å
171G84.7Confident93.8Very high18 Ų187.8 Ų7.819%0.1865%0.048CC..THydrogen-bonded Turntrans99.94-178.400000114.7S337 L346G171-S337 WeakPolarHBondContact O-CB 3.32Å; G171-S337 PolarHBondContact O-OG 3.19Å; G171-L346 WeakPolarHBondContact O-CD1 3.45Å
172T88.9Confident93.8Very high15 Ų158 Ų89%0.0925%0.049CC..  trans-129.8141.5165.3-162.70000109.7F169 M174 T175 L338F169-T172 HydrophobicContact CD1-CG2 4.5Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 WeakPolarHBondContact CG2-O 3.33Å; T172-M174 PolarHBondContact OG1-O 3.17Å; T172-T175 HydrophobicContact CG2-CG2 3.57Å; T172-L338 PolarHBondContact OG1-N 3.32Å; T172-L338 PolarHBondContact OG1-O 3.17Å; T172-L338 VanDerWaalsContact OG1-O 3.09Å
173D88.6Confident93.9Very high56 Ų569.5 Ų9.530%0.2996%0.055SC..SBendtrans-74.1-28.4177-65.4-43.1000111.1N167 L338 S339 G340N167-D173 PolarHBondContact ND2-O 3.27Å; D173-L338 WeakPolarHBondContact CB-O 3.45Å; D173-L338 PolarHBondContact N-O 2.71Å; D173-S339 VanDerWaalsContact OD2-CA 3.25Å; D173-S339 WeakPolarHBondContact OD2-CA 3.34Å; D173-S339 PolarHBondContact OD2-N 2.74Å; D173-G340 PolarHBondContact OD2-N 3.3Å
174M91.6Very high94Very high21 Ų2111.8 Ų11.810%0.1036%0.063CC..SBendtrans-144138.2173.5-153.975.278.600111.1N167 T172 T178 Y214 F308 L312N167-M174 VanDerWaalsContact OD1-CA 3.28Å; N167-M174 WeakPolarHBondContact OD1-CA 3.29Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 WeakPolarHBondContact CG2-O 3.33Å; T172-M174 PolarHBondContact OG1-O 3.17Å; M174-T178 HydrophobicContact CG-CG2 4.44Å; M174-T178 HydrophobicContact SD-CG2 3.5Å; M174-T178 VanDerWaalsContact SD-CG2 3.5Å; M174-Y214 HydrophobicContact SD-CE1 3.98Å; M174-F308 HydrophobicContact CB-CE1 4.09Å; M174-F308 HydrophobicContact CB-CZ 4.43Å; M174-F308 HydrophobicContact CE-CE1 4.47Å; M174-F308 HydrophobicContact CG-CE1 3.9Å; M174-L312 HydrophobicContact CB-CD2 4.41Å
175T95.1Very high94.1Very high0 Ų011.5 Ų11.50%06%0.062CC..  trans-92153.4166.652.40000111.5V162 S164 N167 F169 T172 G177 T178V162-T175 HydrophobicContact CB-CG2 3.92Å; V162-T175 HydrophobicContact CG1-CG2 3.42Å; V162-T175 VanDerWaalsContact CG1-CG2 3.42Å; S164-T175 WeakPolarHBondContact O-CB 3.26Å; S164-T175 PolarHBondContact O-OG1 3.21Å; N167-T175 WeakPolarHBondContact CA-OG1 3.44Å; N167-T175 PolarHBondContact N-OG1 2.9Å; N167-T175 PolarHBondContact OD1-N 3.3Å; N167-T175 PolarHBondContact OD1-OG1 2.88Å; F169-T175 HydrophobicContact CB-CG2 4.07Å; T172-T175 HydrophobicContact CG2-CG2 3.57Å; T175-G177 PolarHBondContact O-N 3.22Å; T175-G177 VanDerWaalsContact O-N 3.16Å; T175-T178 PolarHBondContact O-N 2.94Å; T175-T178 PolarHBondContact OG1-OG1 2.98Å
176I96.9Very high94.1Very high0 Ų011.7 Ų11.70%06%0.063CC..EExtended strand (participates in β ladder)trans-64.8116.4-179.9-65.3167.2000109.5A27 A33 L161 V162 S164 L312 S313 M316A27-I176 VanDerWaalsContact CB-O 3.28Å; A27-I176 WeakPolarHBondContact CB-O 3.4Å; A33-I176 HydrophobicContact CB-CD1 4.35Å; L161-I176 HydrophobicContact CB-CD1 4.33Å; V162-I176 WeakPolarHBondContact O-CB 3.33Å; V162-I176 PolarHBondContact O-N 3.4Å; S164-I176 CarbonylContact C-O 3.51Å; S164-I176 PolarHBondContact N-O 3Å; S164-I176 CarbonylContact O-C 3.54Å; I176-L312 HydrophobicContact CG1-CD2 4.47Å; I176-S313 WeakPolarHBondContact CG2-OG 3.4Å; I176-M316 HydrophobicContact CD1-CE 4.39Å; I176-M316 HydrophobicContact CD1-SD 3.93Å; I176-M316 HydrophobicContact CG1-SD 3.92Å
177G96.4Very high94.1Very high0 Ų017 Ų170%09%0.087CC..EExtended strand (participates in β ladder)trans108.9-12.1177.500000114.9Q28 T175 S180 A181 D309Q28-G177 WeakPolarHBondContact O-CA 3.37Å; Q28-G177 PolarHBondContact O-N 3.4Å; T175-G177 PolarHBondContact O-N 3.22Å; T175-G177 VanDerWaalsContact O-N 3.16Å; G177-S180 PolarHBondContact O-N 2.9Å; G177-A181 WeakPolarHBondContact O-CB 3.5Å; G177-A181 PolarHBondContact O-N 2.85Å; G177-D309 VanDerWaalsContact CA-OD2 3.29Å; G177-D309 WeakPolarHBondContact CA-OD2 3.48Å; G177-D309 VanDerWaalsContact N-CG 3.31Å; G177-D309 PolarHBondContact N-OD1 2.8Å; G177-D309 PolarHBondContact N-OD2 3.15Å
178T96.9Very high94.2Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-63.6-42.6179.3-67.10000112.3S164 I165 N167 M174 T175 A181 L182 Y214 L215S164-T178 PolarHBondContact O-OG1 3.06Å; I165-T178 VanDerWaalsContact C-OG1 3.29Å; I165-T178 PolarHBondContact O-OG1 3.31Å; N167-T178 HydrophobicContact CB-CG2 3.84Å; M174-T178 HydrophobicContact CG-CG2 4.44Å; M174-T178 HydrophobicContact SD-CG2 3.5Å; M174-T178 VanDerWaalsContact SD-CG2 3.5Å; T175-T178 PolarHBondContact O-N 2.94Å; T175-T178 PolarHBondContact OG1-OG1 2.98Å; T178-A181 PolarHBondContact O-N 2.79Å; T178-L182 HydrophobicContact CG2-CD1 4.39Å; T178-L182 WeakPolarHBondContact O-CG 3.16Å; T178-L182 PolarHBondContact O-N 3.37Å; T178-Y214 HydrophobicContact CG2-CD1 3.78Å; T178-Y214 HydrophobicContact CG2-CE1 3.61Å; T178-L215 HydrophobicContact CG2-CD2 3.91Å
179D97.1Very high94.4Very high3 Ų317.4 Ų17.42%0.0169%0.091CC..Hα-helixtrans-67.9-41.7179.8-178.471.1000111.2A181 L182 H183 S306 F308D179-A181 VanDerWaalsContact C-N 3.34Å; D179-A181 PolarHBondContact O-N 3.36Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.26Å; D179-L182 VanDerWaalsContact O-N 3.17Å; D179-H183 PolarHBondContact O-CD2 2.91Å; D179-H183 PolarHBondContact O-N 3.49Å; D179-H183 IonicContact OD2-CD2 2.68Å; D179-H183 IonicContact OD2-NE2 2.79Å; D179-S306 WeakPolarHBondContact OD2-CB 3.32Å; D179-S306 PolarHBondContact OD2-OG 2.9Å; D179-F308 HydrophobicContact CB-CB 4.42Å; D179-F308 HydrophobicContact CB-CD1 3.86Å; D179-F308 HydrophobicContact CB-CG 4.46Å
180S97.9Very high94.5Very high2 Ų219.5 Ų19.51%0.01410%0.102CC..Hα-helixtrans-59-42.4172.3-59.60000112.4G177 H183 R184 P305 S306 D309G177-S180 PolarHBondContact O-N 2.9Å; S180-H183 WeakPolarHBondContact O-CB 3.35Å; S180-H183 PolarHBondContact O-N 3.03Å; S180-R184 WeakPolarHBondContact O-CG 3.33Å; S180-R184 PolarHBondContact O-N 2.82Å; S180-P305 WeakPolarHBondContact OG-CA 3.3Å; S180-S306 PolarHBondContact OG-N 3.13Å; S180-D309 VanDerWaalsContact CB-OD2 3.22Å; S180-D309 WeakPolarHBondContact CB-OD2 3.38Å; S180-D309 PolarHBondContact N-OD2 3.27Å; S180-D309 PolarHBondContact OG-OD2 3.14Å
181A98Very high94.7Very high0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-63.1-42.3174.700000111.9I165 G177 T178 D179 H183 R184 I185 L215 Q300I165-A181 HydrophobicContact CB-CB 3.74Å; I165-A181 HydrophobicContact CD1-CB 4.46Å; I165-A181 HydrophobicContact CG2-CB 3.87Å; G177-A181 WeakPolarHBondContact O-CB 3.5Å; G177-A181 PolarHBondContact O-N 2.85Å; T178-A181 PolarHBondContact O-N 2.79Å; D179-A181 VanDerWaalsContact C-N 3.34Å; D179-A181 PolarHBondContact O-N 3.36Å; A181-H183 VanDerWaalsContact C-N 3.31Å; A181-H183 PolarHBondContact O-N 3Å; A181-R184 WeakPolarHBondContact O-CB 3.48Å; A181-R184 PolarHBondContact O-N 2.93Å; A181-R184 VanDerWaalsContact O-N 3.12Å; A181-I185 WeakPolarHBondContact O-CD1 3.25Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.43Å; A181-I185 PolarHBondContact O-N 3.08Å; A181-L215 HydrophobicContact CB-CD1 4.36Å; A181-L215 HydrophobicContact CB-CD2 4.06Å; A181-Q300 WeakPolarHBondContact CA-O 3.48Å; A181-Q300 WeakPolarHBondContact CB-O 3.46Å
182L97.9Very high95.1Very high5 Ų522 Ų223%0.02612%0.118CC..Hα-helixtrans-59.7-39.4172.3-70.1170.4000112.1T178 D179 R184 I185 M186 Y214 L215 V218 S219 P669T178-L182 HydrophobicContact CG2-CD1 4.39Å; T178-L182 WeakPolarHBondContact O-CG 3.16Å; T178-L182 PolarHBondContact O-N 3.37Å; D179-L182 WeakPolarHBondContact O-CB 3.48Å; D179-L182 PolarHBondContact O-N 3.26Å; D179-L182 VanDerWaalsContact O-N 3.17Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.39Å; L182-I185 HydrophobicContact CD2-CD1 4.38Å; L182-I185 PolarHBondContact O-N 3.01Å; L182-M186 WeakPolarHBondContact O-CB 3.22Å; L182-M186 WeakPolarHBondContact O-CG 3.37Å; L182-M186 PolarHBondContact O-N 2.98Å; L182-Y214 HydrophobicContact CD1-CE1 4.4Å; L182-L215 HydrophobicContact CD2-CD2 3.75Å; L182-L215 HydrophobicContact CG-CD2 3.73Å; L182-V218 HydrophobicContact CD1-CB 4.19Å; L182-V218 HydrophobicContact CD1-CG1 3.63Å; L182-V218 HydrophobicContact CD2-CB 3.92Å; L182-V218 HydrophobicContact CD2-CG1 3.87Å; L182-V218 HydrophobicContact CG-CG1 4.4Å; L182-S219 WeakPolarHBondContact CD2-OG 3.3Å; L182-P669 VanDerWaalsContact C-CG 3.48Å; L182-P669 HydrophobicContact CB-CB 3.81Å; L182-P669 HydrophobicContact CB-CG 3.89Å; L182-P669 WeakPolarHBondContact O-CG 3.17Å
183H97.7Very high95.1Very high31 Ų3122.5 Ų22.514%0.14412%0.122CC..Hα-helixtrans-59.5-43.6173.2-90.4-117.4000111.6D179 S180 A181 E187 T668 P669D179-H183 PolarHBondContact O-CD2 2.91Å; D179-H183 PolarHBondContact O-N 3.49Å; D179-H183 IonicContact OD2-CD2 2.68Å; D179-H183 IonicContact OD2-NE2 2.79Å; S180-H183 WeakPolarHBondContact O-CB 3.35Å; S180-H183 PolarHBondContact O-N 3.03Å; A181-H183 VanDerWaalsContact C-N 3.31Å; A181-H183 PolarHBondContact O-N 3Å; H183-E187 PolarHBondContact O-N 2.75Å; H183-E187 VanDerWaalsContact O-N 3.1Å; H183-T668 VanDerWaalsContact CE1-CG2 3.48Å; H183-T668 WeakPolarHBondContact CE1-CG2 3.47Å; H183-P669 HydrophobicContact CB-CG 4.47Å; H183-P669 WeakPolarHBondContact CD2-CD 3.35Å; H183-P669 WeakPolarHBondContact NE2-CD 3.21Å
184R97.4Very high95Very high50 Ų5024.2 Ų24.219%0.18914%0.135CC..Hα-helixtrans-65.1-42.7176.5-59.6-61.683.8-140.8-6.3111.9S180 A181 L182 E187 V188 V299S180-R184 WeakPolarHBondContact O-CG 3.33Å; S180-R184 PolarHBondContact O-N 2.82Å; A181-R184 WeakPolarHBondContact O-CB 3.48Å; A181-R184 PolarHBondContact O-N 2.93Å; A181-R184 VanDerWaalsContact O-N 3.12Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.39Å; R184-E187 IonicContact CZ-OE2 3.36Å; R184-E187 IonicContact NH1-OE1 3.16Å; R184-E187 PolarHBondContact NH1-OE1 3.46Å; R184-E187 IonicContact NH1-OE2 3.45Å; R184-E187 PolarHBondContact NH1-OE2 2.9Å; R184-E187 IonicContact NH2-OE2 2.75Å; R184-E187 PolarHBondContact NH2-OE2 2.98Å; R184-E187 PolarHBondContact O-N 2.84Å; R184-V188 PolarHBondContact O-N 3.16Å; R184-V299 VanDerWaalsContact CG-O 3.32Å; R184-V299 WeakPolarHBondContact CG-O 3.33Å
185I97.4Very high94.8Very high0 Ų025.9 Ų25.90%015%0.146CC..Hα-helixtrans-62.4-46.2178.1-63.7157.1000110.7A181 L182 E187 V188 I189 V207 L215 S219 L296 Q300A181-I185 WeakPolarHBondContact O-CD1 3.25Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.43Å; A181-I185 PolarHBondContact O-N 3.08Å; L182-I185 HydrophobicContact CD2-CD1 4.38Å; L182-I185 PolarHBondContact O-N 3.01Å; I185-E187 PolarHBondContact O-N 3.06Å; I185-V188 PolarHBondContact O-N 3.03Å; I185-I189 HydrophobicContact CG2-CD1 3.66Å; I185-I189 HydrophobicContact CG2-CG1 4.33Å; I185-I189 WeakPolarHBondContact O-CG1 3.49Å; I185-I189 PolarHBondContact O-N 3.04Å; I185-V207 HydrophobicContact CD1-CG1 3.62Å; I185-V207 HydrophobicContact CG1-CG1 4.28Å; I185-V207 HydrophobicContact CG2-CG2 4.2Å; I185-L215 HydrophobicContact CD1-CB 4.06Å; I185-L215 HydrophobicContact CD1-CD1 4.39Å; I185-L215 HydrophobicContact CD1-CD2 4.14Å; I185-L215 HydrophobicContact CD1-CG 4.44Å; I185-S219 VanDerWaalsContact CG2-OG 3.26Å; I185-S219 WeakPolarHBondContact CG2-OG 3.46Å; I185-L296 HydrophobicContact CB-CD2 4.03Å; I185-L296 HydrophobicContact CG1-CD2 3.85Å; I185-L296 HydrophobicContact CG2-CD2 3.89Å; I185-Q300 HydrophobicContact CG1-CG 3.86Å
186M96.1Very high94.4Very high4 Ų425.9 Ų25.92%0.0215%0.146CC..Hα-helixtrans-67.9-34.6-178.9-70.2-50.5-49.200113.3L182 I189 D190 A222 P669L182-M186 WeakPolarHBondContact O-CB 3.22Å; L182-M186 WeakPolarHBondContact O-CG 3.37Å; L182-M186 PolarHBondContact O-N 2.98Å; M186-I189 HydrophobicContact CE-CB 4.35Å; M186-I189 HydrophobicContact CE-CD1 4.48Å; M186-I189 HydrophobicContact CE-CG2 4.21Å; M186-I189 PolarHBondContact O-N 2.92Å; M186-I189 HydrophobicContact SD-CD1 3.9Å; M186-D190 WeakPolarHBondContact O-CB 3.48Å; M186-D190 VanDerWaalsContact O-CG 3.3Å; M186-D190 PolarHBondContact O-N 2.87Å; M186-A222 HydrophobicContact CE-CB 4.3Å; M186-A222 WeakPolarHBondContact CE-O 3.31Å; M186-A222 HydrophobicContact CG-CB 4.34Å; M186-A222 HydrophobicContact SD-CB 3.71Å; M186-P669 HydrophobicContact CB-CG 4.18Å; M186-P669 HydrophobicContact CG-CB 3.98Å; M186-P669 HydrophobicContact CG-CG 3.77Å
187E95.1Very high93.9Very high111 Ų11129.7 Ų29.752%0.51916%0.164SC..Hα-helixtrans-60.2-44.8172.7-173.7178.2122.700111.7H183 R184 I185 D190 A191H183-E187 PolarHBondContact O-N 2.75Å; H183-E187 VanDerWaalsContact O-N 3.1Å; R184-E187 IonicContact CZ-OE2 3.36Å; R184-E187 IonicContact NH1-OE1 3.16Å; R184-E187 PolarHBondContact NH1-OE1 3.46Å; R184-E187 IonicContact NH1-OE2 3.45Å; R184-E187 PolarHBondContact NH1-OE2 2.9Å; R184-E187 IonicContact NH2-OE2 2.75Å; R184-E187 PolarHBondContact NH2-OE2 2.98Å; R184-E187 PolarHBondContact O-N 2.84Å; I185-E187 PolarHBondContact O-N 3.06Å; E187-D190 PolarHBondContact O-N 2.88Å; E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.78Å
188V95.4Very high93.5Very high34 Ų3433.6 Ų33.621%0.20619%0.191CC..Hα-helixtrans-66.4-42.4176.8176.70000111.4R184 I185 A191 I192 L296 V299R184-V188 PolarHBondContact O-N 3.16Å; I185-V188 PolarHBondContact O-N 3.03Å; V188-A191 PolarHBondContact O-N 3.21Å; V188-I192 HydrophobicContact CG1-CD1 3.69Å; V188-I192 HydrophobicContact CG1-CG1 4.38Å; V188-I192 WeakPolarHBondContact O-CB 3.37Å; V188-I192 VanDerWaalsContact O-CG1 3.27Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.84Å; V188-L296 HydrophobicContact CB-CD2 4.2Å; V188-L296 HydrophobicContact CB-CG 4.28Å; V188-L296 HydrophobicContact CG1-CD1 4.07Å; V188-L296 HydrophobicContact CG1-CD2 4.35Å; V188-L296 HydrophobicContact CG1-CG 3.96Å; V188-L296 HydrophobicContact CG2-CG 4.45Å; V188-V299 HydrophobicContact CG2-CG1 4.5Å
189I94.5Very high93Very high2 Ų238.9 Ų38.91%0.0122%0.215CC..Hα-helixtrans-61.4-45.8176.6-71.9170.3000111.5I185 M186 I192 T193 L205 I259 I261I185-I189 HydrophobicContact CG2-CD1 3.66Å; I185-I189 HydrophobicContact CG2-CG1 4.33Å; I185-I189 WeakPolarHBondContact O-CG1 3.49Å; I185-I189 PolarHBondContact O-N 3.04Å; M186-I189 HydrophobicContact CE-CB 4.35Å; M186-I189 HydrophobicContact CE-CD1 4.48Å; M186-I189 HydrophobicContact CE-CG2 4.21Å; M186-I189 PolarHBondContact O-N 2.92Å; M186-I189 HydrophobicContact SD-CD1 3.9Å; I189-I192 PolarHBondContact O-N 3.04Å; I189-T193 VanDerWaalsContact O-CB 3.31Å; I189-T193 WeakPolarHBondContact O-CB 3.35Å; I189-T193 PolarHBondContact O-N 3.45Å; I189-T193 PolarHBondContact O-OG1 2.96Å; I189-L205 HydrophobicContact CD1-CD1 4.38Å; I189-L205 HydrophobicContact CG1-CD1 3.63Å; I189-I259 HydrophobicContact CG2-CD1 4.14Å; I189-I261 HydrophobicContact CD1-CD1 3.98Å
190D93.1Very high92.5Very high48 Ų4843.6 Ų43.626%0.25724%0.237SC..Hα-helixtrans-65.5-41.3-179.4-74.4-14000110.9M186 E187 T193 R672M186-D190 WeakPolarHBondContact O-CB 3.48Å; M186-D190 VanDerWaalsContact O-CG 3.3Å; M186-D190 PolarHBondContact O-N 2.87Å; E187-D190 PolarHBondContact O-N 2.88Å; D190-T193 WeakPolarHBondContact O-CB 3.33Å; D190-T193 PolarHBondContact O-N 2.87Å; D190-R672 IonicContact OD1-CZ 3.55Å; D190-R672 IonicContact OD1-NH1 3.92Å; D190-R672 PolarHBondContact OD1-NH1 2.98Å; D190-R672 IonicContact OD1-NH2 2.78Å; D190-R672 IonicContact OD2-CZ 3.47Å; D190-R672 IonicContact OD2-NH1 2.63Å; D190-R672 PolarHBondContact OD2-NH1 3.16Å; D190-R672 VanDerWaalsContact OD2-NH1 3.14Å; D190-R672 IonicContact OD2-NH2 3.99Å; D190-R672 PolarHBondContact OD2-NH2 3.29Å
191A92.9Very high92.2Very high60 Ų6046 Ų4650%0.49625%0.246SC..Hα-helixtrans-59.4-49.3173.500000111.8E187 V188 T193 T194E187-A191 WeakPolarHBondContact O-CB 3.5Å; E187-A191 PolarHBondContact O-N 2.78Å; V188-A191 PolarHBondContact O-N 3.21Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.83Å; A191-T194 PolarHBondContact O-N 2.74Å; A191-T194 PolarHBondContact O-OG1 2.55Å
192I91.8Very high92Very high19 Ų1946 Ų4610%0.09725%0.246CC..Hα-helixtrans-61.9-39.4177.8-72172.1000111.7V188 I189 T194 T195 A196 F203 L205 T294V188-I192 HydrophobicContact CG1-CD1 3.69Å; V188-I192 HydrophobicContact CG1-CG1 4.38Å; V188-I192 WeakPolarHBondContact O-CB 3.37Å; V188-I192 VanDerWaalsContact O-CG1 3.27Å; V188-I192 WeakPolarHBondContact O-CG1 3.4Å; V188-I192 PolarHBondContact O-N 2.84Å; I189-I192 PolarHBondContact O-N 3.04Å; I192-T194 PolarHBondContact O-N 2.93Å; I192-T195 WeakPolarHBondContact O-CG2 3.46Å; I192-T195 PolarHBondContact O-N 3.19Å; I192-A196 HydrophobicContact CG2-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.35Å; I192-A196 PolarHBondContact O-N 2.86Å; I192-F203 HydrophobicContact CD1-CD1 4.45Å; I192-F203 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CG2-CD1 3.42Å; I192-F203 VanDerWaalsContact CG2-CD1 3.42Å; I192-F203 HydrophobicContact CG2-CD2 3.81Å; I192-F203 HydrophobicContact CG2-CE1 3.7Å; I192-F203 HydrophobicContact CG2-CE2 4.07Å; I192-F203 HydrophobicContact CG2-CG 3.47Å; I192-F203 VanDerWaalsContact CG2-CG 3.47Å; I192-F203 HydrophobicContact CG2-CZ 4.01Å; I192-L205 HydrophobicContact CD1-CD2 3.57Å; I192-T294 HydrophobicContact CD1-CG2 4Å
193T89.1Confident91.9Very high27 Ų2746.5 Ų46.517%0.16625%0.248CC..Hα-helixtrans-54.2-39-178.8-69.10000112I189 D190 A191 Q197 L257I189-T193 VanDerWaalsContact O-CB 3.31Å; I189-T193 WeakPolarHBondContact O-CB 3.35Å; I189-T193 PolarHBondContact O-N 3.45Å; I189-T193 PolarHBondContact O-OG1 2.96Å; D190-T193 WeakPolarHBondContact O-CB 3.33Å; D190-T193 PolarHBondContact O-N 2.87Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.83Å; T193-Q197 HydrophobicContact CG2-CG 4.44Å; T193-Q197 WeakPolarHBondContact O-CB 3.25Å; T193-Q197 VanDerWaalsContact O-CG 3.28Å; T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 3.3Å; T193-L257 HydrophobicContact CG2-CD2 3.83Å
194T86.6Confident91.9Very high92 Ų9245 Ų4556%0.56424%0.241SC*.Hα-helixtrans-65.5-49.7-179.666.30000113.4A191 I192 S198A191-T194 PolarHBondContact O-N 2.74Å; A191-T194 PolarHBondContact O-OG1 2.55Å; I192-T194 PolarHBondContact O-N 2.93Å; T194-S198 PolarHBondContact O-N 2.95Å; T194-S198 PolarHBondContact O-OG 3.06Å
195T88.6Confident91.9Very high55 Ų5542.7 Ų42.734%0.33723%0.232SC..Hα-helixtrans-69.1-35.5177.1-179.20000111.7I192 S198 H199 F203I192-T195 WeakPolarHBondContact O-CG2 3.46Å; I192-T195 PolarHBondContact O-N 3.19Å; T195-S198 WeakPolarHBondContact O-CB 3.02Å; T195-S198 PolarHBondContact O-N 3.38Å; T195-H199 PolarHBondContact O-CD2 2.95Å; T195-H199 PolarHBondContact O-N 2.9Å; T195-H199 VanDerWaalsContact O-N 3.07Å; T195-F203 HydrophobicContact CG2-CZ 4.4Å
196A86Confident91.9Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-68.6-42.1-178.500000112.8I192 S198 Q200 R201 F203 L257I192-A196 HydrophobicContact CG2-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.35Å; I192-A196 PolarHBondContact O-N 2.86Å; A196-S198 VanDerWaalsContact C-N 3.29Å; A196-S198 PolarHBondContact O-N 3.19Å; A196-Q200 WeakPolarHBondContact O-CA 3.43Å; A196-Q200 PolarHBondContact O-N 3.11Å; A196-R201 HydrophobicContact CB-CB 4.48Å; A196-R201 PolarHBondContact O-N 3.46Å; A196-F203 HydrophobicContact CB-CD2 3.48Å; A196-F203 VanDerWaalsContact CB-CD2 3.48Å; A196-F203 HydrophobicContact CB-CE2 3.39Å; A196-F203 HydrophobicContact CB-CZ 4.47Å; A196-L257 HydrophobicContact CB-CD1 3.3Å
197Q86.3Confident92Very high81 Ų8144.8 Ų44.838%0.37924%0.242SC..Hα-helixtrans-64.8-32.2172.2-73.5176.8700113T193 R256 L257T193-Q197 HydrophobicContact CG2-CG 4.44Å; T193-Q197 WeakPolarHBondContact O-CB 3.25Å; T193-Q197 VanDerWaalsContact O-CG 3.28Å; T193-Q197 WeakPolarHBondContact O-CG 3.49Å; T193-Q197 PolarHBondContact O-N 3.3Å; Q197-R256 PolarHBondContact O-NE 3.41Å; Q197-R256 PolarHBondContact O-NH2 2.76Å; Q197-R256 VanDerWaalsContact O-NH2 3.15Å; Q197-L257 HydrophobicContact CG-CB 4.11Å; Q197-L257 HydrophobicContact CG-CD2 4.12Å
198S87.9Confident92.1Very high81 Ų8140.4 Ų40.457%0.56622%0.222SC*.Hα-helixtrans-67.1-50.4178.7-59.30000110.8T194 T195 A196 R256T194-S198 PolarHBondContact O-N 2.95Å; T194-S198 PolarHBondContact O-OG 3.06Å; T195-S198 WeakPolarHBondContact O-CB 3.02Å; T195-S198 PolarHBondContact O-N 3.38Å; A196-S198 VanDerWaalsContact C-N 3.29Å; A196-S198 PolarHBondContact O-N 3.19Å; S198-R256 PolarHBondContact O-NH2 2.99Å
199H86.7Confident91.9Very high112 Ų11238.8 Ų38.852%0.51921%0.213SC..Hα-helixtrans-92.34.4-176.6-67.2-70.9000115.6T195 R201T195-H199 PolarHBondContact O-CD2 2.95Å; T195-H199 PolarHBondContact O-N 2.9Å; T195-H199 VanDerWaalsContact O-N 3.07Å; H199-R201 VanDerWaalsContact C-N 3.32Å; H199-R201 HydrophobicContact CB-CG 3.81Å; H199-R201 PolarHBondContact CD2-NH1 3.31Å; H199-R201 VanDerWaalsContact CD2-NH1 3.3Å; H199-R201 PolarHBondContact O-N 3.17Å
200Q86.4Confident91.8Very high101 Ų10143 Ų4347%0.47223%0.228SC..THydrogen-bonded Turntrans5837.8-176.3-54.5-168.956.700114.5A196 R251 R256A196-Q200 WeakPolarHBondContact O-CA 3.43Å; A196-Q200 PolarHBondContact O-N 3.11Å; Q200-R251 PolarHBondContact O-NH1 3.08Å; Q200-R251 PolarHBondContact O-NH2 3.34Å; Q200-R256 VanDerWaalsContact CA-O 3.27Å; Q200-R256 WeakPolarHBondContact CA-O 3.39Å; Q200-R256 VanDerWaalsContact CG-NH2 3.35Å
201R90.7Very high91.7Very high53 Ų5345.3 Ų45.320%0.224%0.237CC..  trans-85.1168.6-171.5-75.7178169.8138.88114.2A196 H199 F203 R251 N258 D290A196-R201 HydrophobicContact CB-CB 4.48Å; A196-R201 PolarHBondContact O-N 3.46Å; H199-R201 VanDerWaalsContact C-N 3.32Å; H199-R201 HydrophobicContact CB-CG 3.81Å; H199-R201 PolarHBondContact CD2-NH1 3.31Å; H199-R201 VanDerWaalsContact CD2-NH1 3.3Å; H199-R201 PolarHBondContact O-N 3.17Å; R201-F203 HydrophobicContact CB-CD2 4.04Å; R201-F203 HydrophobicContact CB-CE2 3.67Å; R201-F203 HydrophobicContact CG-CE2 4.44Å; R201-R251 PolarHBondContact O-NH2 3.39Å; R201-N258 PolarHBondContact O-N 2.87Å; R201-D290 WeakPolarHBondContact CA-O 3.21Å; R201-D290 WeakPolarHBondContact CB-O 3.38Å; R201-D290 HydrophobicContact CG-CB 4.24Å; R201-D290 IonicContact CZ-OD2 2.81Å; R201-D290 IonicContact NE-OD2 4Å; R201-D290 PolarHBondContact NE-OD2 2.87Å; R201-D290 IonicContact NH2-OD2 3.38Å; R201-D290 PolarHBondContact NH2-OD2 3.22Å; R201-D290 VanDerWaalsContact NH2-OD2 3.16Å
202T93.9Very high91.8Very high0 Ų042.5 Ų42.50%021%0.214CC..EExtended strand (participates in β ladder)trans-110.1136.8161.6-58.40000109R251 N258 I260 V283 F289 D290 T291 R292T202-R251 PolarHBondContact OG1-NH2 3.02Å; T202-N258 WeakPolarHBondContact CA-O 3.22Å; T202-N258 HydrophobicContact CG2-CB 3.9Å; T202-I260 HydrophobicContact CG2-CD1 3.97Å; T202-V283 HydrophobicContact CG2-CG1 4.27Å; T202-F289 WeakPolarHBondContact OG1-CD2 3.11Å; T202-D290 PolarHBondContact N-O 3.04Å; T202-D290 VanDerWaalsContact N-O 3.08Å; T202-T291 HydrophobicContact CG2-CG2 4.01Å; T202-T291 VanDerWaalsContact O-CA 3.31Å; T202-T291 WeakPolarHBondContact O-CA 3.35Å; T202-R292 PolarHBondContact O-N 3.09Å
203F95.9Very high92Very high15 Ų1541.6 Ų41.67%0.06621%0.209CC..EExtended strand (participates in β ladder)trans-119.8132.1174.9-83.5-99.8000111.2I192 T195 A196 R201 L205 N258 I260 R292I192-F203 HydrophobicContact CD1-CD1 4.45Å; I192-F203 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CG2-CD1 3.42Å; I192-F203 VanDerWaalsContact CG2-CD1 3.42Å; I192-F203 HydrophobicContact CG2-CD2 3.81Å; I192-F203 HydrophobicContact CG2-CE1 3.7Å; I192-F203 HydrophobicContact CG2-CE2 4.07Å; I192-F203 HydrophobicContact CG2-CG 3.47Å; I192-F203 VanDerWaalsContact CG2-CG 3.47Å; I192-F203 HydrophobicContact CG2-CZ 4.01Å; T195-F203 HydrophobicContact CG2-CZ 4.4Å; A196-F203 HydrophobicContact CB-CD2 3.48Å; A196-F203 VanDerWaalsContact CB-CD2 3.48Å; A196-F203 HydrophobicContact CB-CE2 3.39Å; A196-F203 HydrophobicContact CB-CZ 4.47Å; R201-F203 HydrophobicContact CB-CD2 4.04Å; R201-F203 HydrophobicContact CB-CE2 3.67Å; R201-F203 HydrophobicContact CG-CE2 4.44Å; F203-L205 HydrophobicContact CB-CD2 4.09Å; F203-L205 HydrophobicContact CB-CG 4.42Å; F203-L205 HydrophobicContact CD1-CD2 4.35Å; F203-N258 PolarHBondContact N-O 2.91Å; F203-I260 PolarHBondContact O-N 2.77Å; F203-R292 WeakPolarHBondContact CA-O 3.29Å; F203-R292 HydrophobicContact CD1-CB 3.98Å; F203-R292 HydrophobicContact CE1-CB 3.72Å; F203-R292 HydrophobicContact CE1-CG 4.42Å; F203-R292 HydrophobicContact CZ-CB 4.1Å; F203-R292 HydrophobicContact CZ-CG 4.38Å
204V97.3Very high92.3Very high0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-104.2114.7170.9-178.30000107.2I260 I262 V279 K280 T291 R292 V293 T294V204-I260 WeakPolarHBondContact CA-O 3.43Å; V204-I260 HydrophobicContact CG2-CB 4.39Å; V204-I260 HydrophobicContact CG2-CD1 4.18Å; V204-I262 HydrophobicContact CG1-CD1 3.34Å; V204-I262 HydrophobicContact CG1-CG1 4.15Å; V204-V279 HydrophobicContact CG1-CB 4.39Å; V204-V279 HydrophobicContact CG1-CG1 4.29Å; V204-V279 HydrophobicContact CG2-CG1 3.98Å; V204-K280 HydrophobicContact CG2-CB 4.16Å; V204-T291 HydrophobicContact CG2-CG2 3.95Å; V204-R292 PolarHBondContact N-O 3.25Å; V204-V293 HydrophobicContact CB-CG2 4.25Å; V204-V293 CarbonylContact O-C 3.56Å; V204-V293 WeakPolarHBondContact O-CA 3.3Å; V204-T294 PolarHBondContact O-N 3.45Å
205L97.4Very high92.9Very high1 Ų136.7 Ų36.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-112.3120.5-172.6-55.6-177.6000109.8I189 I192 F203 I259 I260 I261 I262 T294I189-L205 HydrophobicContact CD1-CD1 4.38Å; I189-L205 HydrophobicContact CG1-CD1 3.63Å; I192-L205 HydrophobicContact CD1-CD2 3.57Å; F203-L205 HydrophobicContact CB-CD2 4.09Å; F203-L205 HydrophobicContact CB-CG 4.42Å; F203-L205 HydrophobicContact CD1-CD2 4.35Å; L205-I259 HydrophobicContact CD1-CG2 3.94Å; L205-I260 PolarHBondContact N-O 3.24Å; L205-I261 WeakPolarHBondContact O-CA 3.47Å; L205-I262 PolarHBondContact O-N 3.08Å; L205-T294 WeakPolarHBondContact CA-O 3.23Å
206E97.8Very high93.3Very high47 Ų4734 Ų3422%0.2216%0.161CC..EExtended strand (participates in β ladder)trans-99.3121.7-179.4-164.1178.6110.400110I262 S276 T294 V295 L296E206-I262 WeakPolarHBondContact CA-O 3.44Å; E206-S276 WeakPolarHBondContact OE2-CB 3.31Å; E206-S276 PolarHBondContact OE2-OG 3.46Å; E206-T294 PolarHBondContact N-O 3.49Å; E206-V295 HydrophobicContact CB-CB 4.34Å; E206-V295 HydrophobicContact CB-CG1 4.29Å; E206-V295 HydrophobicContact CB-CG2 4.03Å; E206-L296 PolarHBondContact O-N 3.04Å; E206-L296 VanDerWaalsContact O-N 3.16Å
207V97.6Very high93.8Very high2 Ų234 Ų341%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-119.1140-167.6173.90000109.2I185 L215 A216 I261 I262 A263 E264I185-V207 HydrophobicContact CD1-CG1 3.62Å; I185-V207 HydrophobicContact CG1-CG1 4.28Å; I185-V207 HydrophobicContact CG2-CG2 4.2Å; V207-L215 HydrophobicContact CG1-CB 3.83Å; V207-A216 HydrophobicContact CB-CB 4.42Å; V207-A216 HydrophobicContact CG1-CB 4.37Å; V207-I261 HydrophobicContact CB-CG2 4.38Å; V207-I261 HydrophobicContact CG2-CG2 3.78Å; V207-I262 PolarHBondContact N-O 3Å; V207-A263 CarbonylContact O-C 3.55Å; V207-E264 PolarHBondContact O-N 3.2Å
208M97.2Very high94.3Very high18 Ų1830.3 Ų30.39%0.08914%0.144CC..  trans-68.8165.7178.4-87177.1145.900112I165 L215 E264 Q300 R301I165-M208 HydrophobicContact CD1-CB 4Å; I165-M208 HydrophobicContact CD1-SD 4.06Å; M208-L215 WeakPolarHBondContact O-CB 3.38Å; M208-L215 WeakPolarHBondContact O-CD1 3.42Å; M208-E264 WeakPolarHBondContact CA-OE1 3.49Å; M208-Q300 VanDerWaalsContact CG-NE2 3.35Å; M208-Q300 HydrophobicContact SD-CB 4.32Å; M208-R301 HydrophobicContact SD-CG 4.5Å
209G92.9Very high94.7Very high1 Ų126.4 Ų26.41%0.0112%0.117CC..  trans157.43.4176.600000114.5D166 H211 C212 E264D166-G209 VanDerWaalsContact OD1-CA 3.3Å; D166-G209 WeakPolarHBondContact OD1-CA 3.43Å; G209-H211 PolarHBondContact O-N 3.15Å; G209-C212 WeakPolarHBondContact O-CA 3.49Å; G209-C212 WeakPolarHBondContact O-CB 3.29Å; G209-C212 PolarHBondContact O-N 3.41Å; G209-E264 PolarHBondContact N-OE1 2.84Å
210R91.7Very high95.2Very high91 Ų9121.1 Ų21.134%0.3439%0.093SC..THydrogen-bonded Turntrans55.7-100.4-174.6-171.4-161.9-58.5174.1-9.8112D119 D166 D168 E264 G265D119-R210 IonicContact OD1-CZ 2.66Å; D119-R210 IonicContact OD1-NH1 3.09Å; D119-R210 PolarHBondContact OD1-NH1 3.09Å; D119-R210 IonicContact OD1-NH2 3.79Å; D166-R210 IonicContact OD2-CZ 2.72Å; D166-R210 IonicContact OD2-NE 3.53Å; D166-R210 IonicContact OD2-NH2 2.73Å; D168-R210 IonicContact OD2-CZ 2.91Å; D168-R210 IonicContact OD2-NE 2.67Å; D168-R210 IonicContact OD2-NH1 3.21Å; D168-R210 PolarHBondContact OD2-NH1 3.25Å; R210-E264 PolarHBondContact N-OE1 3.23Å; R210-G265 VanDerWaalsContact O-CA 3.23Å; R210-G265 WeakPolarHBondContact O-CA 3.32Å; R210-G265 PolarHBondContact O-N 2.82Å
211H90.4Very high95.6Very high95 Ų9516.7 Ų16.744%0.447%0.072SC..THydrogen-bonded Turntrans-115.121.8176.5-56.4-48.9000111.4G209 P231 M362 R374G209-H211 PolarHBondContact O-N 3.15Å; H211-P231 WeakPolarHBondContact O-CG 3.49Å; H211-M362 HydrophobicContact CB-CE 4.25Å; H211-R374 PolarHBondContact O-NH2 2.86Å
212C94.8Very high95.8Very high1 Ų114.1 Ų14.11%0.0076%0.062CC..  trans-120.1132.9175-168.80000112D168 G209 Y214 E232 R374D168-C212 HydrophobicContact CB-CB 3.85Å; G209-C212 WeakPolarHBondContact O-CA 3.49Å; G209-C212 WeakPolarHBondContact O-CB 3.29Å; G209-C212 PolarHBondContact O-N 3.41Å; C212-Y214 VanDerWaalsContact C-N 3.34Å; C212-Y214 PolarHBondContact SG-N 2.65Å; C212-Y214 VanDerWaalsContact SG-N 3.44Å; C212-E232 VanDerWaalsContact CA-OE1 3.25Å; C212-E232 WeakPolarHBondContact CA-OE1 3.41Å; C212-E232 PolarHBondContact SG-OE1 3.37Å; C212-R374 VanDerWaalsContact SG-CZ 3.54Å; C212-R374 PolarHBondContact SG-NE 3.28Å; C212-R374 VanDerWaalsContact SG-NE 3.43Å
213G96.4Very high95.7Very high0 Ų015.3 Ų15.30%07%0.071CC..  trans-84.32.3175.800000115L215 A216 L217 E232G213-L215 PolarHBondContact O-N 3.19Å; G213-A216 PolarHBondContact O-N 3.09Å; G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.25Å; G213-L217 PolarHBondContact O-N 3.03Å; G213-E232 VanDerWaalsContact CA-OE2 3.3Å; G213-E232 WeakPolarHBondContact CA-OE2 3.37Å; G213-E232 VanDerWaalsContact N-CD 3.32Å; G213-E232 PolarHBondContact N-OE1 3.3Å; G213-E232 PolarHBondContact N-OE2 3.19Å
214Y96.7Very high95.4Very high16 Ų1616 Ų166%0.0638%0.081CC..Hα-helixtrans-58.2-50.3-169.3-175.4-89.5000112.8N167 M174 T178 L182 C212 A216 L217 V218 F378N167-Y214 HydrophobicContact CB-CD1 3.68Å; N167-Y214 HydrophobicContact CB-CD2 4.5Å; N167-Y214 HydrophobicContact CB-CE1 4.22Å; N167-Y214 HydrophobicContact CB-CG 3.85Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.25Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.38Å; N167-Y214 VanDerWaalsContact ND2-CZ 3.31Å; M174-Y214 HydrophobicContact SD-CE1 3.98Å; T178-Y214 HydrophobicContact CG2-CD1 3.78Å; T178-Y214 HydrophobicContact CG2-CE1 3.61Å; L182-Y214 HydrophobicContact CD1-CE1 4.4Å; C212-Y214 VanDerWaalsContact C-N 3.34Å; C212-Y214 PolarHBondContact SG-N 2.65Å; C212-Y214 VanDerWaalsContact SG-N 3.44Å; Y214-A216 PolarHBondContact O-N 3.36Å; Y214-L217 PolarHBondContact O-N 3.14Å; Y214-V218 HydrophobicContact CD1-CG2 4.18Å; Y214-V218 HydrophobicContact CD2-CG2 4.44Å; Y214-V218 HydrophobicContact CE1-CG2 3.79Å; Y214-V218 HydrophobicContact CE2-CG2 4.12Å; Y214-V218 HydrophobicContact CG-CG2 4.49Å; Y214-V218 WeakPolarHBondContact O-CG2 3.3Å; Y214-V218 PolarHBondContact O-N 3.24Å; Y214-F378 AromaticContact CD2-CD2 3.99Å; Y214-F378 HydrophobicContact CD2-CD2 3.99Å
215L97.6Very high95.1Very high0 Ų016.1 Ų16.10%08%0.083CC..Hα-helixtrans-58.6-46.2178-72.8178.9000111.6I165 T178 A181 L182 I185 V207 M208 G213 S219I165-L215 HydrophobicContact CB-CD1 4.43Å; I165-L215 HydrophobicContact CD1-CD1 4.26Å; I165-L215 HydrophobicContact CG1-CD1 4.35Å; I165-L215 WeakPolarHBondContact O-CD1 3.3Å; T178-L215 HydrophobicContact CG2-CD2 3.91Å; A181-L215 HydrophobicContact CB-CD1 4.36Å; A181-L215 HydrophobicContact CB-CD2 4.06Å; L182-L215 HydrophobicContact CD2-CD2 3.75Å; L182-L215 HydrophobicContact CG-CD2 3.73Å; I185-L215 HydrophobicContact CD1-CB 4.06Å; I185-L215 HydrophobicContact CD1-CD1 4.39Å; I185-L215 HydrophobicContact CD1-CD2 4.14Å; I185-L215 HydrophobicContact CD1-CG 4.44Å; V207-L215 HydrophobicContact CG1-CB 3.83Å; M208-L215 WeakPolarHBondContact O-CB 3.38Å; M208-L215 WeakPolarHBondContact O-CD1 3.42Å; G213-L215 PolarHBondContact O-N 3.19Å; L215-S219 WeakPolarHBondContact O-CB 3.21Å; L215-S219 PolarHBondContact O-N 3.06Å; L215-S219 PolarHBondContact O-OG 2.78Å
216A97.7Very high94.9Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-65.1-42.6178.700000112.5V207 G213 Y214 S219 A220 L228 I230 I261 A263V207-A216 HydrophobicContact CB-CB 4.42Å; V207-A216 HydrophobicContact CG1-CB 4.37Å; G213-A216 PolarHBondContact O-N 3.09Å; Y214-A216 PolarHBondContact O-N 3.36Å; A216-S219 PolarHBondContact O-N 3.04Å; A216-A220 WeakPolarHBondContact O-CB 3.48Å; A216-A220 PolarHBondContact O-N 2.85Å; A216-L228 HydrophobicContact CB-CD1 3.8Å; A216-I230 HydrophobicContact CB-CG2 4.14Å; A216-I261 HydrophobicContact CB-CG2 3.87Å; A216-A263 HydrophobicContact CB-CB 3.81Å
217L97.2Very high94.7Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-66.9-47.4-180174.758.3000112.4G213 Y214 S219 A220 L221 L228 I230 F378 N381 W382 Y385G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.25Å; G213-L217 PolarHBondContact O-N 3.03Å; Y214-L217 PolarHBondContact O-N 3.14Å; L217-S219 VanDerWaalsContact C-N 3.34Å; L217-A220 PolarHBondContact O-N 3.31Å; L217-L221 PolarHBondContact O-N 2.87Å; L217-L221 VanDerWaalsContact O-N 3.08Å; L217-L228 HydrophobicContact CB-CD2 4.07Å; L217-L228 HydrophobicContact CD1-CD2 3.55Å; L217-L228 HydrophobicContact CG-CD2 4.41Å; L217-I230 HydrophobicContact CB-CG2 4.47Å; L217-F378 HydrophobicContact CD2-CD1 4.12Å; L217-F378 HydrophobicContact CD2-CE1 3.84Å; L217-F378 HydrophobicContact CD2-CE2 4.28Å; L217-F378 HydrophobicContact CD2-CG 4.44Å; L217-F378 HydrophobicContact CD2-CZ 3.91Å; L217-N381 HydrophobicContact CD1-CB 4.4Å; L217-N381 HydrophobicContact CD2-CB 3.63Å; L217-N381 HydrophobicContact CG-CB 3.87Å; L217-W382 HydrophobicContact CD1-CE3 4.21Å; L217-W382 HydrophobicContact CD2-CB 4.25Å; L217-Y385 HydrophobicContact CD1-CG 4.2Å
218V96.7Very high94.6Very high2 Ų216.5 Ų16.51%0.0128%0.084CC..Hα-helixtrans-66.9-38.7176.1175.20000110.6L182 Y214 A220 L221 A222 N673L182-V218 HydrophobicContact CD1-CB 4.19Å; L182-V218 HydrophobicContact CD1-CG1 3.63Å; L182-V218 HydrophobicContact CD2-CB 3.92Å; L182-V218 HydrophobicContact CD2-CG1 3.87Å; L182-V218 HydrophobicContact CG-CG1 4.4Å; Y214-V218 HydrophobicContact CD1-CG2 4.18Å; Y214-V218 HydrophobicContact CD2-CG2 4.44Å; Y214-V218 HydrophobicContact CE1-CG2 3.79Å; Y214-V218 HydrophobicContact CE2-CG2 4.12Å; Y214-V218 HydrophobicContact CG-CG2 4.49Å; Y214-V218 WeakPolarHBondContact O-CG2 3.3Å; Y214-V218 PolarHBondContact O-N 3.24Å; V218-A220 VanDerWaalsContact C-N 3.34Å; V218-A220 PolarHBondContact O-N 3.11Å; V218-L221 PolarHBondContact O-N 2.85Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.44Å; V218-A222 PolarHBondContact O-N 3.19Å; V218-N673 HydrophobicContact CG1-CB 4.39Å
219S96.7Very high94.6Very high0 Ų015.7 Ų15.70%08%0.081CC..Hα-helixtrans-64.7-36.1174.3-59.30000112.4L182 I185 L215 A216 L217 A222 S223L182-S219 WeakPolarHBondContact CD2-OG 3.3Å; I185-S219 VanDerWaalsContact CG2-OG 3.26Å; I185-S219 WeakPolarHBondContact CG2-OG 3.46Å; L215-S219 WeakPolarHBondContact O-CB 3.21Å; L215-S219 PolarHBondContact O-N 3.06Å; L215-S219 PolarHBondContact O-OG 2.78Å; A216-S219 PolarHBondContact O-N 3.04Å; L217-S219 VanDerWaalsContact C-N 3.34Å; S219-A222 PolarHBondContact O-N 2.73Å; S219-S223 VanDerWaalsContact O-CB 3.23Å; S219-S223 WeakPolarHBondContact O-CB 3.45Å; S219-S223 PolarHBondContact O-N 2.73Å; S219-S223 PolarHBondContact O-OG 2.69Å
220A95.8Very high94.8Very high1 Ų115.8 Ų15.81%0.0088%0.081CC..Hα-helixtrans-66.1-40.117500000112.1A216 L217 V218 S223 G224 A225 L228 I261 Y385A216-A220 WeakPolarHBondContact O-CB 3.48Å; A216-A220 PolarHBondContact O-N 2.85Å; L217-A220 PolarHBondContact O-N 3.31Å; V218-A220 VanDerWaalsContact C-N 3.34Å; V218-A220 PolarHBondContact O-N 3.11Å; A220-S223 PolarHBondContact O-OG 3.26Å; A220-G224 VanDerWaalsContact O-CA 3.3Å; A220-G224 WeakPolarHBondContact O-CA 3.49Å; A220-G224 PolarHBondContact O-N 2.87Å; A220-A225 HydrophobicContact CB-CB 4.01Å; A220-A225 PolarHBondContact O-N 3.49Å; A220-A225 VanDerWaalsContact O-N 3.09Å; A220-L228 HydrophobicContact CB-CB 4.25Å; A220-L228 HydrophobicContact CB-CD1 4.06Å; A220-L228 HydrophobicContact CB-CD2 4.03Å; A220-L228 HydrophobicContact CB-CG 4.34Å; A220-I261 HydrophobicContact CB-CD1 4.26Å; A220-Y385 HydrophobicContact CB-CD2 4.08Å; A220-Y385 HydrophobicContact CB-CE2 3.92Å
221L94.8Very high95.1Very high7 Ų711.6 Ų11.64%0.0377%0.065CC..Hα-helixtrans-65.7-44.8171.4-70.4173000112L217 V218 S223 N381 I384 Y385 L459L217-L221 PolarHBondContact O-N 2.87Å; L217-L221 VanDerWaalsContact O-N 3.08Å; V218-L221 PolarHBondContact O-N 2.85Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.42Å; L221-N381 HydrophobicContact CD1-CB 3.85Å; L221-I384 HydrophobicContact CD2-CG2 3.87Å; L221-Y385 HydrophobicContact CD2-CD2 4.42Å; L221-L459 VanDerWaalsContact O-CD1 3.29Å; L221-L459 WeakPolarHBondContact O-CD1 3.22Å
222A94.6Very high95.3Very high0 Ų07.1 Ų7.10%04%0.044CC..Hα-helixtrans-78.4-9.7-176.700000114.6M186 V218 S219 L459 R672M186-A222 HydrophobicContact CE-CB 4.3Å; M186-A222 WeakPolarHBondContact CE-O 3.31Å; M186-A222 HydrophobicContact CG-CB 4.34Å; M186-A222 HydrophobicContact SD-CB 3.71Å; V218-A222 VanDerWaalsContact O-CB 3.24Å; V218-A222 WeakPolarHBondContact O-CB 3.44Å; V218-A222 PolarHBondContact O-N 3.19Å; S219-A222 PolarHBondContact O-N 2.73Å; A222-L459 WeakPolarHBondContact O-CD2 3.35Å; A222-R672 HydrophobicContact CB-CB 3.97Å; A222-R672 WeakPolarHBondContact O-CD 3.38Å
223S92.6Very high95.3Very high25 Ų257.8 Ų7.818%0.1755%0.05CC..Hα-helixtrans-108.2-27.217160.40000113S219 A220 L221 A225S219-S223 VanDerWaalsContact O-CB 3.23Å; S219-S223 WeakPolarHBondContact O-CB 3.45Å; S219-S223 PolarHBondContact O-N 2.73Å; S219-S223 PolarHBondContact O-OG 2.69Å; A220-S223 PolarHBondContact O-OG 3.26Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-S223 PolarHBondContact O-N 3.42Å; S223-A225 PolarHBondContact OG-N 2.96Å
224G89.6Confident95.2Very high28 Ų288.1 Ų8.129%0.2895%0.053SC..THydrogen-bonded Turntrans77.737.2-170.700000113.2A220A220-G224 VanDerWaalsContact O-CA 3.3Å; A220-G224 WeakPolarHBondContact O-CA 3.49Å; A220-G224 PolarHBondContact O-N 2.87Å
225A92.3Very high95.1Very high4 Ų48.1 Ų8.13%0.0336%0.055CC..  trans-57.5142.8-17900000113.6A220 S223 I259 I261A220-A225 HydrophobicContact CB-CB 4.01Å; A220-A225 PolarHBondContact O-N 3.49Å; A220-A225 VanDerWaalsContact O-N 3.09Å; S223-A225 PolarHBondContact OG-N 2.96Å; A225-I259 HydrophobicContact CB-CB 4.33Å; A225-I259 HydrophobicContact CB-CG2 3.9Å; A225-I261 HydrophobicContact CB-CD1 4.01Å; A225-I261 HydrophobicContact CB-CG1 3.97Å
226D91.2Very high94.7Very high22 Ų2213.9 Ų13.912%0.1188%0.081CC..SBendtrans-72.5-33.2-177.6-53.5-113000112.5R246 L247 T250 N258 I259D226-R246 WeakPolarHBondContact O-CD 3.47Å; D226-R246 PolarHBondContact O-NH1 2.91Å; D226-L247 HydrophobicContact CB-CD2 3.86Å; D226-T250 VanDerWaalsContact OD1-CG2 3.29Å; D226-T250 WeakPolarHBondContact OD1-CG2 3.16Å; D226-N258 PolarHBondContact OD1-ND2 2.84Å; D226-N258 VanDerWaalsContact OD2-CA 3.27Å; D226-N258 WeakPolarHBondContact OD2-CA 3.3Å; D226-I259 PolarHBondContact N-O 3.16Å; D226-I259 PolarHBondContact OD2-N 3.27Å
227W94.6Very high94.4Very high24 Ų2419.8 Ų19.89%0.09111%0.113CC..EExtended strand (participates in β ladder)trans-145149.4177.6-158.9-77.8000111.9F229 W239 F242 M243 R246 I260 I261 Y385W227-F229 AromaticContact CD1-CD2 3.6Å; W227-F229 AromaticContact CD1-CE2 3.17Å; W227-F229 AromaticContact CD1-CZ 3.44Å; W227-F229 VanDerWaalsContact CD1-CZ 3.44Å; W227-F229 HydrophobicContact CG-CE2 4.2Å; W227-F229 HydrophobicContact CG-CZ 4.47Å; W227-F229 AromaticContact NE1-CE1 3.59Å; W227-F229 AromaticContact NE1-CE2 3.55Å; W227-F229 AromaticContact NE1-CZ 3.3Å; W227-F229 VanDerWaalsContact NE1-CZ 3.3Å; W227-W239 HydrophobicContact CZ2-CB 4.17Å; W227-F242 HydrophobicContact CH2-CB 4.08Å; W227-F242 HydrophobicContact CZ3-CB 4.38Å; W227-M243 HydrophobicContact CB-CG 4.3Å; W227-M243 HydrophobicContact CD2-CB 3.9Å; W227-M243 HydrophobicContact CD2-CG 3.68Å; W227-M243 HydrophobicContact CD2-SD 4.39Å; W227-M243 HydrophobicContact CE3-CB 3.61Å; W227-M243 HydrophobicContact CE3-CG 3.64Å; W227-M243 HydrophobicContact CG-CG 3.95Å; W227-M243 HydrophobicContact CG-SD 4.21Å; W227-M243 HydrophobicContact CH2-CB 4Å; W227-M243 HydrophobicContact CZ2-CB 4.27Å; W227-M243 HydrophobicContact CZ3-CB 3.64Å; W227-M243 HydrophobicContact CZ3-CG 4.21Å; W227-R246 VanDerWaalsContact CE3-NH1 3.28Å; W227-I260 HydrophobicContact CB-CG1 4.31Å; W227-I260 HydrophobicContact CB-CG2 4.25Å; W227-I260 WeakPolarHBondContact O-CA 3.43Å; W227-I261 PolarHBondContact O-N 2.82Å; W227-Y385 VanDerWaalsContact C-OH 3.29Å; W227-Y385 VanDerWaalsContact CA-OH 3.25Å; W227-Y385 WeakPolarHBondContact CA-OH 3.3Å
228L96.1Very high94.1Very high11 Ų1120.9 Ų20.96%0.05812%0.124CC..EExtended strand (participates in β ladder)trans-136.6137.5-178.3172.564.3000109.8A216 L217 A220 I230 I261 W382 Y385A216-L228 HydrophobicContact CB-CD1 3.8Å; L217-L228 HydrophobicContact CB-CD2 4.07Å; L217-L228 HydrophobicContact CD1-CD2 3.55Å; L217-L228 HydrophobicContact CG-CD2 4.41Å; A220-L228 HydrophobicContact CB-CB 4.25Å; A220-L228 HydrophobicContact CB-CD1 4.06Å; A220-L228 HydrophobicContact CB-CD2 4.03Å; A220-L228 HydrophobicContact CB-CG 4.34Å; L228-I230 HydrophobicContact CD1-CG2 3.82Å; L228-I230 HydrophobicContact CD2-CG2 4.08Å; L228-I230 HydrophobicContact CG-CG2 3.93Å; L228-I261 CarbonylContact C-O 3.52Å; L228-I261 WeakPolarHBondContact CA-O 3.39Å; L228-I261 HydrophobicContact CD1-CB 4.19Å; L228-I261 HydrophobicContact CD1-CG2 4.17Å; L228-W382 HydrophobicContact CD2-CZ3 4.38Å; L228-Y385 HydrophobicContact CB-CE1 3.74Å; L228-Y385 HydrophobicContact CB-CE2 4.04Å; L228-Y385 VanDerWaalsContact CB-CZ 3.48Å; L228-Y385 HydrophobicContact CD2-CD1 4.08Å; L228-Y385 HydrophobicContact CD2-CD2 4.39Å; L228-Y385 HydrophobicContact CD2-CE1 4.12Å; L228-Y385 HydrophobicContact CD2-CE2 4.44Å; L228-Y385 HydrophobicContact CD2-CG 4.24Å; L228-Y385 PolarHBondContact N-OH 2.68Å; L228-Y385 VanDerWaalsContact N-OH 3.13Å
229F97.3Very high93.9Very high2 Ų221.4 Ų21.41%0.00913%0.126CC..EExtended strand (participates in β ladder)trans-118.5126167.8-60.4-96.3000110.1W227 P235 W239 M243 I260 I261 I262 A263 A266 I274 V279W227-F229 AromaticContact CD1-CD2 3.6Å; W227-F229 AromaticContact CD1-CE2 3.17Å; W227-F229 AromaticContact CD1-CZ 3.44Å; W227-F229 VanDerWaalsContact CD1-CZ 3.44Å; W227-F229 HydrophobicContact CG-CE2 4.2Å; W227-F229 HydrophobicContact CG-CZ 4.47Å; W227-F229 AromaticContact NE1-CE1 3.59Å; W227-F229 AromaticContact NE1-CE2 3.55Å; W227-F229 AromaticContact NE1-CZ 3.3Å; W227-F229 VanDerWaalsContact NE1-CZ 3.3Å; F229-P235 HydrophobicContact CD1-CG 4.06Å; F229-P235 HydrophobicContact CE1-CB 4.49Å; F229-P235 HydrophobicContact CE1-CG 4.06Å; F229-W239 HydrophobicContact CE1-CD2 4.02Å; F229-W239 AromaticContact CE1-CE3 3.71Å; F229-W239 HydrophobicContact CE1-CE3 3.71Å; F229-W239 AromaticContact CE1-CH2 3.87Å; F229-W239 HydrophobicContact CE1-CH2 3.87Å; F229-W239 HydrophobicContact CE1-CZ2 4.13Å; F229-W239 AromaticContact CE1-CZ3 3.68Å; F229-W239 HydrophobicContact CE1-CZ3 3.68Å; F229-W239 HydrophobicContact CZ-CD2 4.43Å; F229-W239 AromaticContact CZ-CE3 3.66Å; F229-W239 HydrophobicContact CZ-CE3 3.66Å; F229-W239 AromaticContact CZ-CH2 3.84Å; F229-W239 HydrophobicContact CZ-CH2 3.84Å; F229-W239 AromaticContact CZ-CZ3 3.36Å; F229-W239 HydrophobicContact CZ-CZ3 3.36Å; F229-M243 HydrophobicContact CE2-SD 4.17Å; F229-M243 HydrophobicContact CZ-SD 3.94Å; F229-I260 HydrophobicContact CD2-CG2 4.15Å; F229-I260 HydrophobicContact CE2-CG2 3.76Å; F229-I261 PolarHBondContact N-O 2.86Å; F229-I262 HydrophobicContact CB-CG1 4.42Å; F229-I262 HydrophobicContact CB-CG2 4.43Å; F229-I262 HydrophobicContact CD2-CD1 4.4Å; F229-I262 HydrophobicContact CD2-CG1 3.69Å; F229-I262 HydrophobicContact CE2-CG1 4.36Å; F229-I262 HydrophobicContact CG-CG1 4.38Å; F229-A263 PolarHBondContact O-N 3.48Å; F229-A266 HydrophobicContact CB-CB 3.83Å; F229-I274 HydrophobicContact CD1-CD1 3.82Å; F229-I274 HydrophobicContact CD1-CG2 4.19Å; F229-I274 HydrophobicContact CE1-CD1 4.12Å; F229-I274 HydrophobicContact CE1-CG2 4.23Å; F229-V279 HydrophobicContact CE2-CG1 4.36Å; F229-V279 HydrophobicContact CE2-CG2 4.13Å; F229-V279 HydrophobicContact CZ-CG2 4.16Å
230I97.1Very high93.8Very high2 Ų223.3 Ų23.31%0.0114%0.135CC..  trans-136.4146.517853.2169.7000110.5A216 L217 L228 E232 A233 F378 W382A216-I230 HydrophobicContact CB-CG2 4.14Å; L217-I230 HydrophobicContact CB-CG2 4.47Å; L228-I230 HydrophobicContact CD1-CG2 3.82Å; L228-I230 HydrophobicContact CD2-CG2 4.08Å; L228-I230 HydrophobicContact CG-CG2 3.93Å; I230-E232 VanDerWaalsContact C-N 3.3Å; I230-E232 PolarHBondContact O-N 3.29Å; I230-A233 HydrophobicContact CD1-CB 3.9Å; I230-A233 HydrophobicContact CG1-CB 3.91Å; I230-A233 CarbonylContact O-C 3.42Å; I230-A233 PolarHBondContact O-N 2.85Å; I230-F378 HydrophobicContact CD1-CE1 4.27Å; I230-F378 HydrophobicContact CD1-CZ 4.19Å; I230-W382 HydrophobicContact CD1-CD2 4.45Å; I230-W382 HydrophobicContact CD1-CE3 3.96Å; I230-W382 HydrophobicContact CD1-CZ3 4.1Å
231P96.3Very high93.6Very high4 Ų427.7 Ų27.73%0.02616%0.158CC..THydrogen-bonded Turntrans-64-31.2178.621.2-29.4000113.6H211 A233 P234 G265 M362H211-P231 WeakPolarHBondContact O-CG 3.49Å; P231-A233 VanDerWaalsContact C-N 3.25Å; P231-A233 PolarHBondContact O-N 3.44Å; P231-P234 WeakPolarHBondContact O-CD 3.43Å; P231-P234 WeakPolarHBondContact O-CG 3.28Å; P231-G265 WeakPolarHBondContact CB-O 3.34Å; P231-M362 HydrophobicContact CB-SD 4.12Å
232E95.4Very high93.4Very high0 Ų032.7 Ų32.70%018%0.18CC..THydrogen-bonded Turntrans-73.2-15.5179.8-60.390.9161.700113.7C212 G213 I230 M362 I371 R374 F378C212-E232 VanDerWaalsContact CA-OE1 3.25Å; C212-E232 WeakPolarHBondContact CA-OE1 3.41Å; C212-E232 PolarHBondContact SG-OE1 3.37Å; G213-E232 VanDerWaalsContact CA-OE2 3.3Å; G213-E232 WeakPolarHBondContact CA-OE2 3.37Å; G213-E232 VanDerWaalsContact N-CD 3.32Å; G213-E232 PolarHBondContact N-OE1 3.3Å; G213-E232 PolarHBondContact N-OE2 3.19Å; I230-E232 VanDerWaalsContact C-N 3.3Å; I230-E232 PolarHBondContact O-N 3.29Å; E232-M362 HydrophobicContact CG-SD 4.16Å; E232-I371 HydrophobicContact CB-CG1 3.93Å; E232-I371 WeakPolarHBondContact O-CD1 3.29Å; E232-I371 WeakPolarHBondContact O-CG1 3.18Å; E232-R374 HydrophobicContact CG-CG 4.14Å; E232-R374 IonicContact OE1-CZ 3.1Å; E232-R374 IonicContact OE1-NE 2.79Å; E232-R374 PolarHBondContact OE1-NE 2.76Å; E232-R374 IonicContact OE1-NH2 3.4Å; E232-R374 PolarHBondContact OE1-NH2 3.24Å; E232-F378 HydrophobicContact CB-CE1 4.05Å; E232-F378 HydrophobicContact CB-CZ 4.03Å; E232-F378 VanDerWaalsContact CD-CZ 3.44Å; E232-F378 HydrophobicContact CG-CE1 4.25Å; E232-F378 HydrophobicContact CG-CZ 3.89Å
233A95.1Very high93.4Very high16 Ų1632.7 Ų32.713%0.13218%0.18CC..SBendtrans-140.273.1176.700000111.7I230 P231 I371 W382I230-A233 HydrophobicContact CD1-CB 3.9Å; I230-A233 HydrophobicContact CG1-CB 3.91Å; I230-A233 CarbonylContact O-C 3.42Å; I230-A233 PolarHBondContact O-N 2.85Å; P231-A233 VanDerWaalsContact C-N 3.25Å; P231-A233 PolarHBondContact O-N 3.44Å; A233-I371 HydrophobicContact CB-CD1 4.25Å; A233-W382 HydrophobicContact CB-CD2 4.37Å; A233-W382 HydrophobicContact CB-CH2 3.72Å; A233-W382 HydrophobicContact CB-CZ2 3.33Å; A233-W382 HydrophobicContact CB-CZ3 4.37Å
234P95Very high93.3Very high7 Ų732 Ų325%0.04518%0.175CC..PPolyproline II helixtrans-60139.3178.3-26.539.5000111.5P231 I267 R269 F367P231-P234 WeakPolarHBondContact O-CD 3.43Å; P231-P234 WeakPolarHBondContact O-CG 3.28Å; P234-I267 WeakPolarHBondContact CB-O 3.25Å; P234-I267 HydrophobicContact CG-CD1 4.27Å; P234-I267 HydrophobicContact CG-CG1 3.98Å; P234-R269 HydrophobicContact CB-CG 4.04Å; P234-F367 HydrophobicContact CG-CD1 3.8Å; P234-F367 HydrophobicContact CG-CD2 4.32Å; P234-F367 HydrophobicContact CG-CE1 3.54Å; P234-F367 HydrophobicContact CG-CE2 4.07Å; P234-F367 HydrophobicContact CG-CG 4.2Å; P234-F367 HydrophobicContact CG-CZ 3.69Å
235P93.4Very high93.4Very high16 Ų1636.5 Ų36.510%0.10419%0.188CC..PPolyproline II helixtrans-65.1153.2-174.730.2-37.6000112.1F229 W239 I267 I274F229-P235 HydrophobicContact CD1-CG 4.06Å; F229-P235 HydrophobicContact CE1-CB 4.49Å; F229-P235 HydrophobicContact CE1-CG 4.06Å; P235-W239 HydrophobicContact CB-CB 3.68Å; P235-W239 HydrophobicContact CB-CD2 4.3Å; P235-W239 HydrophobicContact CB-CG 3.6Å; P235-W239 HydrophobicContact CG-CB 4.49Å; P235-W239 HydrophobicContact CG-CD2 4.24Å; P235-W239 HydrophobicContact CG-CG 3.87Å; P235-I267 WeakPolarHBondContact CD-O 3.22Å; P235-I274 HydrophobicContact CG-CD1 3.63Å
236E90.6Very high93.1Very high120 Ų12038 Ų3856%0.56119%0.193SC*.PPolyproline II helixtrans-70.1154176.4-80175.6177.200112.6G238 W239 R269E236-G238 PolarHBondContact O-N 3.23Å; E236-W239 VanDerWaalsContact O-CB 3.24Å; E236-W239 WeakPolarHBondContact O-CB 3.42Å; E236-W239 VanDerWaalsContact O-CD1 3.24Å; E236-W239 PolarHBondContact O-N 3.37Å; E236-R269 IonicContact OE1-CZ 2.73Å; E236-R269 IonicContact OE1-NH2 3.16Å; E236-R269 PolarHBondContact OE1-NH2 2.67Å; E236-R269 VanDerWaalsContact OE1-NH2 3.13Å
237D89.9Confident93.1Very high124 Ų12437 Ų3766%0.66319%0.188SC*.THydrogen-bonded Turntrans-57.8133.2177.9-61-32.4000110.6
238G90.4Very high92.8Very high23 Ų2336.9 Ų36.924%0.23719%0.194CC..THydrogen-bonded Turntrans81.111-173.100000114.8E236 E240 N241 F242E236-G238 PolarHBondContact O-N 3.23Å; G238-E240 VanDerWaalsContact C-OE2 3.32Å; G238-E240 VanDerWaalsContact CA-OE2 3.32Å; G238-E240 WeakPolarHBondContact CA-OE2 3.13Å; G238-E240 PolarHBondContact O-N 2.72Å; G238-N241 WeakPolarHBondContact O-CB 3.42Å; G238-N241 PolarHBondContact O-N 2.77Å; G238-F242 WeakPolarHBondContact O-CD2 3.44Å; G238-F242 PolarHBondContact O-N 3.09Å
239W93Very high92.3Very high13 Ų1339.9 Ų39.95%0.04921%0.208CC..Hα-helixtrans-50.9-27.4171.766.6-92.7000113.8W227 F229 P235 E236 N241 F242 M243 I274 Y278 V279 L282W227-W239 HydrophobicContact CZ2-CB 4.17Å; F229-W239 HydrophobicContact CE1-CD2 4.02Å; F229-W239 AromaticContact CE1-CE3 3.71Å; F229-W239 HydrophobicContact CE1-CE3 3.71Å; F229-W239 AromaticContact CE1-CH2 3.87Å; F229-W239 HydrophobicContact CE1-CH2 3.87Å; F229-W239 HydrophobicContact CE1-CZ2 4.13Å; F229-W239 AromaticContact CE1-CZ3 3.68Å; F229-W239 HydrophobicContact CE1-CZ3 3.68Å; F229-W239 HydrophobicContact CZ-CD2 4.43Å; F229-W239 AromaticContact CZ-CE3 3.66Å; F229-W239 HydrophobicContact CZ-CE3 3.66Å; F229-W239 AromaticContact CZ-CH2 3.84Å; F229-W239 HydrophobicContact CZ-CH2 3.84Å; F229-W239 AromaticContact CZ-CZ3 3.36Å; F229-W239 HydrophobicContact CZ-CZ3 3.36Å; P235-W239 HydrophobicContact CB-CB 3.68Å; P235-W239 HydrophobicContact CB-CD2 4.3Å; P235-W239 HydrophobicContact CB-CG 3.6Å; P235-W239 HydrophobicContact CG-CB 4.49Å; P235-W239 HydrophobicContact CG-CD2 4.24Å; P235-W239 HydrophobicContact CG-CG 3.87Å; E236-W239 VanDerWaalsContact O-CB 3.24Å; E236-W239 WeakPolarHBondContact O-CB 3.42Å; E236-W239 VanDerWaalsContact O-CD1 3.24Å; E236-W239 PolarHBondContact O-N 3.37Å; W239-N241 PolarHBondContact O-N 2.79Å; W239-F242 PolarHBondContact O-N 2.92Å; W239-M243 HydrophobicContact CE3-CB 4.29Å; W239-M243 HydrophobicContact CE3-SD 4.32Å; W239-M243 HydrophobicContact CZ3-CE 3.87Å; W239-M243 HydrophobicContact CZ3-SD 3.91Å; W239-M243 WeakPolarHBondContact O-CB 3.48Å; W239-M243 PolarHBondContact O-N 2.94Å; W239-I274 HydrophobicContact CH2-CG2 4.31Å; W239-I274 HydrophobicContact CZ2-CD1 4.29Å; W239-I274 HydrophobicContact CZ2-CG2 4.25Å; W239-Y278 HydrophobicContact CH2-CD1 4.23Å; W239-Y278 AromaticContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CZ2-CD1 4.37Å; W239-Y278 AromaticContact CZ2-CE1 3.72Å; W239-Y278 HydrophobicContact CZ2-CE1 3.72Å; W239-V279 HydrophobicContact CH2-CG2 4.06Å; W239-L282 HydrophobicContact CH2-CD2 3.87Å; W239-L282 HydrophobicContact CZ3-CD2 3.72Å
240E94.6Very high91.7Very high40 Ų4041.4 Ų41.419%0.18722%0.217CC..Hα-helixtrans-60-34176.3-56.889.4161.900111.5G238 C244 L282 R286G238-E240 VanDerWaalsContact C-OE2 3.32Å; G238-E240 VanDerWaalsContact CA-OE2 3.32Å; G238-E240 WeakPolarHBondContact CA-OE2 3.13Å; G238-E240 PolarHBondContact O-N 2.72Å; E240-C244 WeakPolarHBondContact O-CB 3.48Å; E240-C244 PolarHBondContact O-N 3.13Å; E240-C244 PolarHBondContact O-SG 3.3Å; E240-L282 HydrophobicContact CB-CD1 4.07Å; E240-L282 HydrophobicContact CB-CD2 3.74Å; E240-L282 HydrophobicContact CB-CG 4.5Å; E240-L282 HydrophobicContact CG-CD1 4.29Å; E240-L282 HydrophobicContact CG-CD2 3.67Å; E240-R286 VanDerWaalsContact CB-NH1 3.34Å; E240-R286 PolarHBondContact O-NH1 3Å
241N92.9Very high91.1Very high93 Ų9343.1 Ų43.150%0.49722%0.224SC..Hα-helixtrans-73.8-53.2175.3-60.7-24.5000110G238 W239 M243 C244 E245 R286G238-N241 WeakPolarHBondContact O-CB 3.42Å; G238-N241 PolarHBondContact O-N 2.77Å; W239-N241 PolarHBondContact O-N 2.79Å; N241-M243 VanDerWaalsContact C-N 3.27Å; N241-M243 PolarHBondContact O-N 2.88Å; N241-C244 PolarHBondContact O-N 3Å; N241-C244 VanDerWaalsContact O-N 3.16Å; N241-E245 WeakPolarHBondContact O-CB 3.3Å; N241-E245 PolarHBondContact O-N 3.26Å; N241-R286 PolarHBondContact OD1-NH1 3.42Å
242F90.1Very high90.5Very high113 Ų11347.7 Ų47.750%0.49626%0.256SS..Hα-helixtrans-61.3-33.5-178-62-59.4000113.2W227 G238 W239 R246W227-F242 HydrophobicContact CH2-CB 4.08Å; W227-F242 HydrophobicContact CZ3-CB 4.38Å; G238-F242 WeakPolarHBondContact O-CD2 3.44Å; G238-F242 PolarHBondContact O-N 3.09Å; W239-F242 PolarHBondContact O-N 2.92Å; F242-R246 WeakPolarHBondContact O-CB 3.27Å; F242-R246 PolarHBondContact O-N 3.25Å
243M93.2Very high89.7Confident0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-70.1-50.3173.7-174.3-170.770.100110.8W227 F229 W239 N241 E245 R246 L247 I260 V279 L282 V283W227-M243 HydrophobicContact CB-CG 4.3Å; W227-M243 HydrophobicContact CD2-CB 3.9Å; W227-M243 HydrophobicContact CD2-CG 3.68Å; W227-M243 HydrophobicContact CD2-SD 4.39Å; W227-M243 HydrophobicContact CE3-CB 3.61Å; W227-M243 HydrophobicContact CE3-CG 3.64Å; W227-M243 HydrophobicContact CG-CG 3.95Å; W227-M243 HydrophobicContact CG-SD 4.21Å; W227-M243 HydrophobicContact CH2-CB 4Å; W227-M243 HydrophobicContact CZ2-CB 4.27Å; W227-M243 HydrophobicContact CZ3-CB 3.64Å; W227-M243 HydrophobicContact CZ3-CG 4.21Å; F229-M243 HydrophobicContact CE2-SD 4.17Å; F229-M243 HydrophobicContact CZ-SD 3.94Å; W239-M243 HydrophobicContact CE3-CB 4.29Å; W239-M243 HydrophobicContact CE3-SD 4.32Å; W239-M243 HydrophobicContact CZ3-CE 3.87Å; W239-M243 HydrophobicContact CZ3-SD 3.91Å; W239-M243 WeakPolarHBondContact O-CB 3.48Å; W239-M243 PolarHBondContact O-N 2.94Å; N241-M243 VanDerWaalsContact C-N 3.27Å; N241-M243 PolarHBondContact O-N 2.88Å; M243-E245 VanDerWaalsContact C-N 3.34Å; M243-E245 PolarHBondContact O-N 3.06Å; M243-R246 PolarHBondContact O-N 3.1Å; M243-L247 HydrophobicContact CE-CD1 4.33Å; M243-L247 HydrophobicContact CG-CD1 3.76Å; M243-L247 HydrophobicContact CG-CG 4.3Å; M243-L247 WeakPolarHBondContact O-CB 3.49Å; M243-L247 WeakPolarHBondContact O-CG 3.41Å; M243-L247 PolarHBondContact O-N 3.35Å; M243-L247 HydrophobicContact SD-CD1 4.34Å; M243-I260 HydrophobicContact SD-CD1 4.16Å; M243-V279 HydrophobicContact CE-CG1 4.19Å; M243-V279 HydrophobicContact SD-CG1 4.18Å; M243-L282 HydrophobicContact CE-CD2 3.68Å; M243-L282 HydrophobicContact CE-CG 4.37Å; M243-V283 HydrophobicContact CE-CG2 3.72Å
244C92.4Very high88.8Confident9 Ų954.3 Ų54.36%0.06130%0.295CS..Hα-helixtrans-60.7-43.4179.7-75.10000112.2E240 N241 L247 G248 L287E240-C244 WeakPolarHBondContact O-CB 3.48Å; E240-C244 PolarHBondContact O-N 3.13Å; E240-C244 PolarHBondContact O-SG 3.3Å; N241-C244 PolarHBondContact O-N 3Å; N241-C244 VanDerWaalsContact O-N 3.16Å; C244-L247 PolarHBondContact O-N 3.32Å; C244-G248 PolarHBondContact O-N 3.12Å; C244-L287 HydrophobicContact CB-CD1 4.26Å; C244-L287 HydrophobicContact CB-CD2 4.05Å; C244-L287 HydrophobicContact CB-CG 4.14Å
245E90.1Very high88.1Confident124 Ų12455.7 Ų55.758%0.57931%0.305SS*.Hα-helixtrans-57-51.4175-176.7176.8-154.200111.6N241 M243 L247 G248 E249N241-E245 WeakPolarHBondContact O-CB 3.3Å; N241-E245 PolarHBondContact O-N 3.26Å; M243-E245 VanDerWaalsContact C-N 3.34Å; M243-E245 PolarHBondContact O-N 3.06Å; E245-L247 PolarHBondContact O-N 3.48Å; E245-G248 CarbonylContact O-C 3.58Å; E245-G248 WeakPolarHBondContact O-CA 3.35Å; E245-G248 PolarHBondContact O-N 3.06Å; E245-E249 PolarHBondContact O-N 2.86Å
246R87.1Confident87.7Confident36 Ų3660.4 Ų60.414%0.13632%0.321CS..Hα-helixtrans-61.8-43179.7-175.4-174.6-49.4173.36.7113.6D226 W227 F242 M243 G248 E249 T250 H390D226-R246 WeakPolarHBondContact O-CD 3.47Å; D226-R246 PolarHBondContact O-NH1 2.91Å; W227-R246 VanDerWaalsContact CE3-NH1 3.28Å; F242-R246 WeakPolarHBondContact O-CB 3.27Å; F242-R246 PolarHBondContact O-N 3.25Å; M243-R246 PolarHBondContact O-N 3.1Å; R246-G248 VanDerWaalsContact C-N 3.28Å; R246-E249 PolarHBondContact O-N 2.94Å; R246-T250 WeakPolarHBondContact O-CB 3.5Å; R246-T250 PolarHBondContact O-N 2.92Å; R246-T250 PolarHBondContact O-OG1 3.47Å; R246-H390 VanDerWaalsContact CZ-CD2 3.44Å; R246-H390 VanDerWaalsContact CZ-NE2 3.32Å; R246-H390 PolarHBondContact NH1-NE2 3.17Å; R246-H390 PolarHBondContact NH2-CD2 3.11Å; R246-H390 PolarHBondContact NH2-NE2 3.35Å
247L90.3Very high87.5Confident0 Ų055.6 Ų55.60%030%0.299CS..Hα-helixtrans-63.5-40.6177.4-66.7170.2000110.1D226 M243 C244 E245 T250 R251 N258 I260 V283 L287 F289D226-L247 HydrophobicContact CB-CD2 3.86Å; M243-L247 HydrophobicContact CE-CD1 4.33Å; M243-L247 HydrophobicContact CG-CD1 3.76Å; M243-L247 HydrophobicContact CG-CG 4.3Å; M243-L247 WeakPolarHBondContact O-CB 3.49Å; M243-L247 WeakPolarHBondContact O-CG 3.41Å; M243-L247 PolarHBondContact O-N 3.35Å; M243-L247 HydrophobicContact SD-CD1 4.34Å; C244-L247 PolarHBondContact O-N 3.32Å; E245-L247 PolarHBondContact O-N 3.48Å; L247-T250 PolarHBondContact O-N 3.41Å; L247-R251 VanDerWaalsContact O-CB 3.32Å; L247-R251 WeakPolarHBondContact O-CB 3.31Å; L247-R251 PolarHBondContact O-N 3.42Å; L247-N258 HydrophobicContact CD2-CB 3.71Å; L247-I260 HydrophobicContact CD1-CD1 3.86Å; L247-I260 HydrophobicContact CD2-CD1 4.41Å; L247-I260 HydrophobicContact CD2-CG1 4.32Å; L247-V283 HydrophobicContact CD1-CG2 3.89Å; L247-L287 HydrophobicContact CB-CD1 3.72Å; L247-L287 HydrophobicContact CD1-CD1 4.29Å; L247-F289 HydrophobicContact CB-CE2 4.32Å
248G89.1Confident87.6Confident22 Ų2249.7 Ų49.723%0.22727%0.267CS..Hα-helixtrans-59.9-50.7171.900000113.5C244 E245 R246 T250 R251 S252C244-G248 PolarHBondContact O-N 3.12Å; E245-G248 CarbonylContact O-C 3.58Å; E245-G248 WeakPolarHBondContact O-CA 3.35Å; E245-G248 PolarHBondContact O-N 3.06Å; R246-G248 VanDerWaalsContact C-N 3.28Å; G248-T250 VanDerWaalsContact C-N 3.33Å; G248-T250 PolarHBondContact O-N 3.41Å; G248-R251 PolarHBondContact O-N 3.28Å; G248-S252 WeakPolarHBondContact O-CB 3.27Å; G248-S252 PolarHBondContact O-N 3.21Å; G248-S252 PolarHBondContact O-OG 2.7Å
249E85.6Confident87.7Confident74 Ų7449 Ų4935%0.34626%0.258SS..Hα-helixtrans-58.6-43.9175.6-70.7-152139.800112.2E245 R246 R251 S252 R253E245-E249 PolarHBondContact O-N 2.86Å; R246-E249 PolarHBondContact O-N 2.94Å; E249-R251 VanDerWaalsContact C-N 3.31Å; E249-R251 PolarHBondContact O-N 3.42Å; E249-S252 WeakPolarHBondContact CA-OG 3.37Å; E249-S252 PolarHBondContact O-N 3.35Å; E249-S252 PolarHBondContact O-OG 3.23Å; E249-S252 VanDerWaalsContact O-OG 3.06Å; E249-R253 WeakPolarHBondContact O-CB 3.41Å; E249-R253 VanDerWaalsContact O-CG 3.31Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 2.9Å; E249-R253 IonicContact OE1-CZ 3.89Å; E249-R253 IonicContact OE1-NH2 2.85Å; E249-R253 PolarHBondContact OE1-NH2 2.96Å; E249-R253 IonicContact OE2-CZ 3.22Å; E249-R253 IonicContact OE2-NH1 2.94Å; E249-R253 PolarHBondContact OE2-NH1 3.19Å; E249-R253 IonicContact OE2-NH2 3.79Å; E249-R253 PolarHBondContact OE2-NH2 2.88Å
250T83.4Confident87.9Confident34 Ų3448.3 Ų48.321%0.20926%0.255CS..Hα-helixtrans-68.5-36.7-175.8-55.70000110.6D226 R246 L247 G248 S255D226-T250 VanDerWaalsContact OD1-CG2 3.29Å; D226-T250 WeakPolarHBondContact OD1-CG2 3.16Å; R246-T250 WeakPolarHBondContact O-CB 3.5Å; R246-T250 PolarHBondContact O-N 2.92Å; R246-T250 PolarHBondContact O-OG1 3.47Å; L247-T250 PolarHBondContact O-N 3.41Å; G248-T250 VanDerWaalsContact C-N 3.33Å; G248-T250 PolarHBondContact O-N 3.41Å; T250-S255 WeakPolarHBondContact O-CB 3.43Å; T250-S255 PolarHBondContact O-N 2.85Å
251R84.3Confident88Confident37 Ų3746.4 Ų46.414%0.1425%0.247CC..Hα-helixtrans-66.1-47.6171.5-172.370.662.6-1793.6111.9Q200 R201 T202 L247 G248 E249 R253 G254 S255 R256 N258 F289Q200-R251 PolarHBondContact O-NH1 3.08Å; Q200-R251 PolarHBondContact O-NH2 3.34Å; R201-R251 PolarHBondContact O-NH2 3.39Å; T202-R251 PolarHBondContact OG1-NH2 3.02Å; L247-R251 VanDerWaalsContact O-CB 3.32Å; L247-R251 WeakPolarHBondContact O-CB 3.31Å; L247-R251 PolarHBondContact O-N 3.42Å; G248-R251 PolarHBondContact O-N 3.28Å; E249-R251 VanDerWaalsContact C-N 3.31Å; E249-R251 PolarHBondContact O-N 3.42Å; R251-R253 VanDerWaalsContact C-N 3.33Å; R251-R253 PolarHBondContact O-N 3.28Å; R251-G254 PolarHBondContact O-N 3.18Å; R251-S255 WeakPolarHBondContact CD-O 3.49Å; R251-S255 PolarHBondContact NH1-O 2.91Å; R251-R256 PolarHBondContact NH1-O 3.19Å; R251-N258 PolarHBondContact NE-OD1 2.87Å; R251-N258 PolarHBondContact NH2-OD1 2.92Å; R251-F289 HydrophobicContact CB-CE2 4.01Å; R251-F289 HydrophobicContact CB-CZ 3.66Å; R251-F289 HydrophobicContact CG-CE1 4.12Å; R251-F289 HydrophobicContact CG-CE2 4.18Å; R251-F289 HydrophobicContact CG-CZ 3.61Å
252S84Confident88.3Confident100 Ų10042.1 Ų42.170%0.69922%0.223SC*.Hα-helixtrans-68-31.1-177.570.20000113G248 E249 G254G248-S252 WeakPolarHBondContact O-CB 3.27Å; G248-S252 PolarHBondContact O-N 3.21Å; G248-S252 PolarHBondContact O-OG 2.7Å; E249-S252 WeakPolarHBondContact CA-OG 3.37Å; E249-S252 PolarHBondContact O-N 3.35Å; E249-S252 PolarHBondContact O-OG 3.23Å; E249-S252 VanDerWaalsContact O-OG 3.06Å; S252-G254 PolarHBondContact O-N 3.1Å
253R78.6Confident88.6Confident98 Ų9836.8 Ų36.837%0.3720%0.201SC..THydrogen-bonded Turntrans-78.316.3169.7-61.8177.8-173.3139.218.7113.8E249 R251 Q391 H453E249-R253 WeakPolarHBondContact O-CB 3.41Å; E249-R253 VanDerWaalsContact O-CG 3.31Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 2.9Å; E249-R253 IonicContact OE1-CZ 3.89Å; E249-R253 IonicContact OE1-NH2 2.85Å; E249-R253 PolarHBondContact OE1-NH2 2.96Å; E249-R253 IonicContact OE2-CZ 3.22Å; E249-R253 IonicContact OE2-NH1 2.94Å; E249-R253 PolarHBondContact OE2-NH1 3.19Å; E249-R253 IonicContact OE2-NH2 3.79Å; E249-R253 PolarHBondContact OE2-NH2 2.88Å; R251-R253 VanDerWaalsContact C-N 3.33Å; R251-R253 PolarHBondContact O-N 3.28Å; R253-Q391 VanDerWaalsContact NH1-OE1 3.14Å; R253-H453 WeakPolarHBondContact CB-CE1 3.24Å; R253-H453 PolarHBondContact O-ND1 3.38Å
254G76.5Confident88.8Confident58 Ų5840.9 Ų40.960%0.59822%0.22SC*.THydrogen-bonded Turntrans90.69.1169.100000116.3R251 S252 R256R251-G254 PolarHBondContact O-N 3.18Å; S252-G254 PolarHBondContact O-N 3.1Å; G254-R256 PolarHBondContact O-N 3.37Å
255S81.1Confident88.9Confident36 Ų3641.1 Ų41.125%0.25222%0.224SC..  trans-67.4125.3171.1-168.60000110.6T250 R251 L257T250-S255 WeakPolarHBondContact O-CB 3.43Å; T250-S255 PolarHBondContact O-N 2.85Å; R251-S255 WeakPolarHBondContact CD-O 3.49Å; R251-S255 PolarHBondContact NH1-O 2.91Å; S255-L257 PolarHBondContact O-N 3.36Å; S255-L257 PolarHBondContact OG-N 2.83Å; S255-L257 PolarHBondContact OG-O 3.33Å
256R83.7Confident89.2Confident115 Ų11535.3 Ų35.343%0.43420%0.197SC..SBendtrans-81.8-3.1172.8-62.6-175.462.382.3-0.4113Q197 S198 Q200 R251 G254Q197-R256 PolarHBondContact O-NE 3.41Å; Q197-R256 PolarHBondContact O-NH2 2.76Å; Q197-R256 VanDerWaalsContact O-NH2 3.15Å; S198-R256 PolarHBondContact O-NH2 2.99Å; Q200-R256 VanDerWaalsContact CA-O 3.27Å; Q200-R256 WeakPolarHBondContact CA-O 3.39Å; Q200-R256 VanDerWaalsContact CG-NH2 3.35Å; R251-R256 PolarHBondContact NH1-O 3.19Å; G254-R256 PolarHBondContact O-N 3.37Å
257L88.2Confident89.6Confident18 Ų1835.3 Ų35.39%0.09420%0.199CC..  trans-138.1141.3-171.7176.856.7000110T193 A196 Q197 S255 I259T193-L257 HydrophobicContact CG2-CD2 3.83Å; A196-L257 HydrophobicContact CB-CD1 3.3Å; Q197-L257 HydrophobicContact CG-CB 4.11Å; Q197-L257 HydrophobicContact CG-CD2 4.12Å; S255-L257 PolarHBondContact O-N 3.36Å; S255-L257 PolarHBondContact OG-N 2.83Å; S255-L257 PolarHBondContact OG-O 3.33Å; L257-I259 HydrophobicContact CD1-CG1 4Å; L257-I259 HydrophobicContact CD2-CD1 3.88Å; L257-I259 HydrophobicContact CD2-CG1 4.12Å; L257-I259 HydrophobicContact CG-CD1 4.33Å; L257-I259 HydrophobicContact CG-CG1 4.01Å
258N91.3Very high89.8Confident0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-126.2132.5157.1-61.5116.2000109.7R201 T202 F203 D226 L247 R251R201-N258 PolarHBondContact O-N 2.87Å; T202-N258 WeakPolarHBondContact CA-O 3.22Å; T202-N258 HydrophobicContact CG2-CB 3.9Å; F203-N258 PolarHBondContact N-O 2.91Å; D226-N258 PolarHBondContact OD1-ND2 2.84Å; D226-N258 VanDerWaalsContact OD2-CA 3.27Å; D226-N258 WeakPolarHBondContact OD2-CA 3.3Å; L247-N258 HydrophobicContact CD2-CB 3.71Å; R251-N258 PolarHBondContact NE-OD1 2.87Å; R251-N258 PolarHBondContact NH2-OD1 2.92Å
259I92.9Very high89.8Confident8 Ų840.5 Ų40.54%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-116.7126.2172.6-66.8171.2000108.3I189 L205 A225 D226 L257 I261I189-I259 HydrophobicContact CG2-CD1 4.14Å; L205-I259 HydrophobicContact CD1-CG2 3.94Å; A225-I259 HydrophobicContact CB-CB 4.33Å; A225-I259 HydrophobicContact CB-CG2 3.9Å; D226-I259 PolarHBondContact N-O 3.16Å; D226-I259 PolarHBondContact OD2-N 3.27Å; L257-I259 HydrophobicContact CD1-CG1 4Å; L257-I259 HydrophobicContact CD2-CD1 3.88Å; L257-I259 HydrophobicContact CD2-CG1 4.12Å; L257-I259 HydrophobicContact CG-CD1 4.33Å; L257-I259 HydrophobicContact CG-CG1 4.01Å; I259-I261 HydrophobicContact CG2-CD1 4.33Å; I259-I261 HydrophobicContact CG2-CG1 3.85Å
260I96.6Very high90Very high0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-115.2125.6171.8-58166.5000106.9T202 F203 V204 L205 W227 F229 M243 L247 I262 V279 V283T202-I260 HydrophobicContact CG2-CD1 3.97Å; F203-I260 PolarHBondContact O-N 2.77Å; V204-I260 WeakPolarHBondContact CA-O 3.43Å; V204-I260 HydrophobicContact CG2-CB 4.39Å; V204-I260 HydrophobicContact CG2-CD1 4.18Å; L205-I260 PolarHBondContact N-O 3.24Å; W227-I260 HydrophobicContact CB-CG1 4.31Å; W227-I260 HydrophobicContact CB-CG2 4.25Å; W227-I260 WeakPolarHBondContact O-CA 3.43Å; F229-I260 HydrophobicContact CD2-CG2 4.15Å; F229-I260 HydrophobicContact CE2-CG2 3.76Å; M243-I260 HydrophobicContact SD-CD1 4.16Å; L247-I260 HydrophobicContact CD1-CD1 3.86Å; L247-I260 HydrophobicContact CD2-CD1 4.41Å; L247-I260 HydrophobicContact CD2-CG1 4.32Å; I260-I262 HydrophobicContact CG2-CG1 4.37Å; I260-V279 HydrophobicContact CD1-CG1 4.05Å; I260-V279 HydrophobicContact CG2-CG1 4.05Å; I260-V283 HydrophobicContact CD1-CG2 4.06Å
261I97.6Very high90.2Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-108.7134.4177.5-59.4-172.8000109.8I189 L205 V207 A216 A220 A225 W227 L228 F229 I259I189-I261 HydrophobicContact CD1-CD1 3.98Å; L205-I261 WeakPolarHBondContact O-CA 3.47Å; V207-I261 HydrophobicContact CB-CG2 4.38Å; V207-I261 HydrophobicContact CG2-CG2 3.78Å; A216-I261 HydrophobicContact CB-CG2 3.87Å; A220-I261 HydrophobicContact CB-CD1 4.26Å; A225-I261 HydrophobicContact CB-CD1 4.01Å; A225-I261 HydrophobicContact CB-CG1 3.97Å; W227-I261 PolarHBondContact O-N 2.82Å; L228-I261 CarbonylContact C-O 3.52Å; L228-I261 WeakPolarHBondContact CA-O 3.39Å; L228-I261 HydrophobicContact CD1-CB 4.19Å; L228-I261 HydrophobicContact CD1-CG2 4.17Å; F229-I261 PolarHBondContact N-O 2.86Å; I259-I261 HydrophobicContact CG2-CD1 4.33Å; I259-I261 HydrophobicContact CG2-CG1 3.85Å
262I97.8Very high90.7Very high2 Ų247.9 Ų47.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-125.8122.3-179.8-59.4177000107.9V204 L205 E206 V207 F229 I260 A266 V279V204-I262 HydrophobicContact CG1-CD1 3.34Å; V204-I262 HydrophobicContact CG1-CG1 4.15Å; L205-I262 PolarHBondContact O-N 3.08Å; E206-I262 WeakPolarHBondContact CA-O 3.44Å; V207-I262 PolarHBondContact N-O 3Å; F229-I262 HydrophobicContact CB-CG1 4.42Å; F229-I262 HydrophobicContact CB-CG2 4.43Å; F229-I262 HydrophobicContact CD2-CD1 4.4Å; F229-I262 HydrophobicContact CD2-CG1 3.69Å; F229-I262 HydrophobicContact CE2-CG1 4.36Å; F229-I262 HydrophobicContact CG-CG1 4.38Å; I260-I262 HydrophobicContact CG2-CG1 4.37Å; I262-A266 HydrophobicContact CG2-CB 3.76Å; I262-V279 HydrophobicContact CD1-CB 3.99Å; I262-V279 HydrophobicContact CD1-CG1 4.32Å; I262-V279 HydrophobicContact CD1-CG2 3.76Å
263A97.8Very high91.2Very high2 Ų248 Ų482%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-69.6141.8165.200000110V207 A216 F229 G265 A266V207-A263 CarbonylContact O-C 3.55Å; A216-A263 HydrophobicContact CB-CB 3.81Å; F229-A263 PolarHBondContact O-N 3.48Å; A263-G265 PolarHBondContact O-N 2.93Å; A263-G265 VanDerWaalsContact O-N 3.08Å; A263-A266 WeakPolarHBondContact O-CB 3.45Å; A263-A266 PolarHBondContact O-N 3.12Å
264E95.4Very high92Very high86 Ų8644.1 Ų44.140%0.40225%0.246SC..THydrogen-bonded Turntrans-57.7-27.3-179.369.7-171.9157.500113.6V207 M208 G209 R210V207-E264 PolarHBondContact O-N 3.2Å; M208-E264 WeakPolarHBondContact CA-OE1 3.49Å; G209-E264 PolarHBondContact N-OE1 2.84Å; R210-E264 PolarHBondContact N-OE1 3.23Å
265G94.8Very high93Very high14 Ų1443.7 Ų43.714%0.14423%0.234CC..THydrogen-bonded Turntrans-8712.117300000115.8R210 P231 A263 I267R210-G265 VanDerWaalsContact O-CA 3.23Å; R210-G265 WeakPolarHBondContact O-CA 3.32Å; R210-G265 PolarHBondContact O-N 2.82Å; P231-G265 WeakPolarHBondContact CB-O 3.34Å; A263-G265 PolarHBondContact O-N 2.93Å; A263-G265 VanDerWaalsContact O-N 3.08Å; G265-I267 PolarHBondContact O-N 3.15Å
266A96.6Very high93.7Very high2 Ų242.5 Ų42.52%0.01723%0.225CC..  trans-61.9130.4-176.400000112.9F229 I262 A263 P273 I274F229-A266 HydrophobicContact CB-CB 3.83Å; I262-A266 HydrophobicContact CG2-CB 3.76Å; A263-A266 WeakPolarHBondContact O-CB 3.45Å; A263-A266 PolarHBondContact O-N 3.12Å; A266-P273 WeakPolarHBondContact O-CA 3.31Å; A266-I274 HydrophobicContact CB-CB 4.45Å; A266-I274 PolarHBondContact O-N 2.74Å
267I95.5Very high94.2Very high35 Ų3540 Ų4018%0.17923%0.225CC..BIsolated β-bridgetrans-130.8161.5-179.656171.2000111.3P234 P235 G265 K272 I274 F367P234-I267 WeakPolarHBondContact CB-O 3.25Å; P234-I267 HydrophobicContact CG-CD1 4.27Å; P234-I267 HydrophobicContact CG-CG1 3.98Å; P235-I267 WeakPolarHBondContact CD-O 3.22Å; G265-I267 PolarHBondContact O-N 3.15Å; I267-K272 CarbonylContact C-O 3.54Å; I267-K272 VanDerWaalsContact CA-O 3.28Å; I267-K272 WeakPolarHBondContact CA-O 3.18Å; I267-I274 WeakPolarHBondContact O-CD1 3.35Å; I267-F367 HydrophobicContact CD1-CE1 4.49Å
268D94.1Very high94.6Very high32 Ų3244.1 Ų44.117%0.17124%0.24CC..  trans-85.5176.2163.675.35.2000111.9N270 G271 K272 I274D268-N270 PolarHBondContact O-N 3.21Å; D268-N270 VanDerWaalsContact O-N 3.11Å; D268-N270 VanDerWaalsContact OD1-C 3.3Å; D268-N270 WeakPolarHBondContact OD1-CA 3.5Å; D268-N270 VanDerWaalsContact OD1-CB 3.29Å; D268-N270 WeakPolarHBondContact OD1-CB 3.34Å; D268-N270 PolarHBondContact OD1-N 3.13Å; D268-G271 PolarHBondContact O-N 2.97Å; D268-G271 PolarHBondContact OD1-N 3.31Å; D268-K272 PolarHBondContact N-O 3.24Å; D268-K272 WeakPolarHBondContact OD1-CB 3.02Å; D268-K272 PolarHBondContact OD1-N 3.44Å; D268-I274 HydrophobicContact CB-CD1 4.21Å; D268-I274 HydrophobicContact CB-CG1 4.38Å
269R90.9Very high94.9Very high99 Ų9944.1 Ų44.137%0.37424%0.24SC..THydrogen-bonded Turntrans-65.5-8.7176.6-72.7-178.7170.9-159.3-0.3114.3P234 E236 K365P234-R269 HydrophobicContact CB-CG 4.04Å; E236-R269 IonicContact OE1-CZ 2.73Å; E236-R269 IonicContact OE1-NH2 3.16Å; E236-R269 PolarHBondContact OE1-NH2 2.67Å; E236-R269 VanDerWaalsContact OE1-NH2 3.13Å; R269-K365 WeakPolarHBondContact O-CE 3.34Å; R269-K365 PolarHBondContact O-NZ 3.1Å
270N89.3Confident95Very high110 Ų11046.9 Ų46.959%0.58825%0.252SS*.THydrogen-bonded Turntrans-94.3-5.1173.7-59.7-58.3000112.6D268D268-N270 PolarHBondContact O-N 3.21Å; D268-N270 VanDerWaalsContact O-N 3.11Å; D268-N270 VanDerWaalsContact OD1-C 3.3Å; D268-N270 WeakPolarHBondContact OD1-CA 3.5Å; D268-N270 VanDerWaalsContact OD1-CB 3.29Å; D268-N270 WeakPolarHBondContact OD1-CB 3.34Å; D268-N270 PolarHBondContact OD1-N 3.13Å
271G87.8Confident95Very high44 Ų4449.9 Ų49.945%0.45427%0.268SS..SBendtrans849.8-176.100000113.5D268D268-G271 PolarHBondContact O-N 2.97Å; D268-G271 PolarHBondContact OD1-N 3.31Å
272K93.4Very high95Very high147 Ų14750.4 Ų50.464%0.63927%0.271SS*.  trans-82131.3178-173.3-174.6174.3-172.10109.8I267 D268I267-K272 CarbonylContact C-O 3.54Å; I267-K272 VanDerWaalsContact CA-O 3.28Å; I267-K272 WeakPolarHBondContact CA-O 3.18Å; D268-K272 PolarHBondContact N-O 3.24Å; D268-K272 WeakPolarHBondContact OD1-CB 3.02Å; D268-K272 PolarHBondContact OD1-N 3.44Å
273P95.4Very high94.8Very high103 Ų10350.3 Ų50.367%0.66927%0.27SS*.BIsolated β-bridgetrans-59.7137.8176.4-25.635000113.5A266A266-P273 WeakPolarHBondContact O-CA 3.31Å
274I96.1Very high94.7Very high15 Ų1553.1 Ų53.18%0.07729%0.287CS..  trans-100.2102.5174.4-59.8176.9000108.3F229 P235 W239 A266 I267 D268 V279F229-I274 HydrophobicContact CD1-CD1 3.82Å; F229-I274 HydrophobicContact CD1-CG2 4.19Å; F229-I274 HydrophobicContact CE1-CD1 4.12Å; F229-I274 HydrophobicContact CE1-CG2 4.23Å; P235-I274 HydrophobicContact CG-CD1 3.63Å; W239-I274 HydrophobicContact CH2-CG2 4.31Å; W239-I274 HydrophobicContact CZ2-CD1 4.29Å; W239-I274 HydrophobicContact CZ2-CG2 4.25Å; A266-I274 HydrophobicContact CB-CB 4.45Å; A266-I274 PolarHBondContact O-N 2.74Å; I267-I274 WeakPolarHBondContact O-CD1 3.35Å; D268-I274 HydrophobicContact CB-CD1 4.21Å; D268-I274 HydrophobicContact CB-CG1 4.38Å; I274-V279 HydrophobicContact CG2-CG2 3.76Å
275S95.8Very high94.7Very high49 Ų4956.6 Ų56.634%0.34330%0.304SS..  trans-80.1149.3-178.772.70000113.2S277 Y278 V279S275-S277 PolarHBondContact O-N 3.14Å; S275-S277 PolarHBondContact OG-OG 2.97Å; S275-Y278 PolarHBondContact O-N 3.17Å; S275-Y278 VanDerWaalsContact O-N 3.16Å; S275-Y278 WeakPolarHBondContact OG-CB 3.32Å; S275-Y278 PolarHBondContact OG-N 3.5Å; S275-Y278 VanDerWaalsContact OG-N 3.14Å; S275-V279 PolarHBondContact O-N 3.17Å
276S95.8Very high94.7Very high11 Ų1161.6 Ų61.68%0.07732%0.318CS..Hα-helixtrans-60.5-32172.656.20000113.5E206 K280 V293E206-S276 WeakPolarHBondContact OE2-CB 3.31Å; E206-S276 PolarHBondContact OE2-OG 3.46Å; S276-K280 WeakPolarHBondContact O-CB 3.25Å; S276-K280 PolarHBondContact O-N 2.86Å; S276-V293 WeakPolarHBondContact O-CG2 3.44Å
277S95.8Very high94.5Very high62 Ų6263.8 Ų63.843%0.43433%0.329SS..Hα-helixtrans-62.6-46.3171.952.60000112.7S275 K280 D281S275-S277 PolarHBondContact O-N 3.14Å; S275-S277 PolarHBondContact OG-OG 2.97Å; S277-K280 PolarHBondContact O-N 3.29Å; S277-D281 PolarHBondContact O-N 3.48Å
278Y96.1Very high94.4Very high105 Ų10565.1 Ų65.141%0.41235%0.352SS..Hα-helixtrans-61.9-47.1179.4174.1-111.6000111.5W239 S275 K280 D281 L282W239-Y278 HydrophobicContact CH2-CD1 4.23Å; W239-Y278 AromaticContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CH2-CE1 3.79Å; W239-Y278 HydrophobicContact CZ2-CD1 4.37Å; W239-Y278 AromaticContact CZ2-CE1 3.72Å; W239-Y278 HydrophobicContact CZ2-CE1 3.72Å; S275-Y278 PolarHBondContact O-N 3.17Å; S275-Y278 VanDerWaalsContact O-N 3.16Å; S275-Y278 WeakPolarHBondContact OG-CB 3.32Å; S275-Y278 PolarHBondContact OG-N 3.5Å; S275-Y278 VanDerWaalsContact OG-N 3.14Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.24Å; Y278-D281 PolarHBondContact O-N 2.82Å; Y278-L282 WeakPolarHBondContact O-CB 3.46Å; Y278-L282 PolarHBondContact O-N 2.73Å
279V96.5Very high94.3Very high0 Ų065.4 Ų65.40%035%0.352CS..Hα-helixtrans-61.4-40.9177.1175.20000111.6V204 F229 W239 M243 I260 I262 I274 S275 V283V204-V279 HydrophobicContact CG1-CB 4.39Å; V204-V279 HydrophobicContact CG1-CG1 4.29Å; V204-V279 HydrophobicContact CG2-CG1 3.98Å; F229-V279 HydrophobicContact CE2-CG1 4.36Å; F229-V279 HydrophobicContact CE2-CG2 4.13Å; F229-V279 HydrophobicContact CZ-CG2 4.16Å; W239-V279 HydrophobicContact CH2-CG2 4.06Å; M243-V279 HydrophobicContact CE-CG1 4.19Å; M243-V279 HydrophobicContact SD-CG1 4.18Å; I260-V279 HydrophobicContact CD1-CG1 4.05Å; I260-V279 HydrophobicContact CG2-CG1 4.05Å; I262-V279 HydrophobicContact CD1-CB 3.99Å; I262-V279 HydrophobicContact CD1-CG1 4.32Å; I262-V279 HydrophobicContact CD1-CG2 3.76Å; I274-V279 HydrophobicContact CG2-CG2 3.76Å; S275-V279 PolarHBondContact O-N 3.17Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 2.88Å; V279-V283 VanDerWaalsContact O-N 3.12Å
280K96.8Very high94.4Very high66 Ų6663.8 Ų63.829%0.28735%0.35SS..Hα-helixtrans-64.7-48.7176.8168.3-117.7167-156.70111.8V204 S276 S277 Y278 L282 V283 V284 T291 V293V204-K280 HydrophobicContact CG2-CB 4.16Å; S276-K280 WeakPolarHBondContact O-CB 3.25Å; S276-K280 PolarHBondContact O-N 2.86Å; S277-K280 PolarHBondContact O-N 3.29Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.24Å; K280-L282 VanDerWaalsContact C-N 3.33Å; K280-L282 PolarHBondContact O-N 3.07Å; K280-V283 PolarHBondContact O-N 3.35Å; K280-V284 WeakPolarHBondContact O-CG2 3.43Å; K280-V284 PolarHBondContact O-N 3.03Å; K280-T291 HydrophobicContact CB-CG2 4.03Å; K280-T291 HydrophobicContact CG-CG2 3.78Å; K280-V293 HydrophobicContact CB-CG2 3.51Å; K280-V293 HydrophobicContact CD-CG2 3.97Å; K280-V293 HydrophobicContact CG-CG2 3.82Å
281D96.6Very high94.7Very high64 Ų6458.6 Ų58.634%0.34232%0.323SS..Hα-helixtrans-67.2-35.5-178.8-66.6-24.3000111.6S277 Y278 V284 Q285S277-D281 PolarHBondContact O-N 3.48Å; Y278-D281 PolarHBondContact O-N 2.82Å; D281-V284 PolarHBondContact O-N 3.37Å; D281-Q285 WeakPolarHBondContact O-CB 3.2Å; D281-Q285 VanDerWaalsContact O-CG 3.23Å; D281-Q285 WeakPolarHBondContact O-CG 3.45Å; D281-Q285 PolarHBondContact O-N 3.27Å
282L95.9Very high95.1Very high10 Ų1061.5 Ų61.55%0.05232%0.32CS..Hα-helixtrans-57.6-48.8171.7177.467.2000112.6W239 E240 M243 Y278 K280 Q285 R286W239-L282 HydrophobicContact CH2-CD2 3.87Å; W239-L282 HydrophobicContact CZ3-CD2 3.72Å; E240-L282 HydrophobicContact CB-CD1 4.07Å; E240-L282 HydrophobicContact CB-CD2 3.74Å; E240-L282 HydrophobicContact CB-CG 4.5Å; E240-L282 HydrophobicContact CG-CD1 4.29Å; E240-L282 HydrophobicContact CG-CD2 3.67Å; M243-L282 HydrophobicContact CE-CD2 3.68Å; M243-L282 HydrophobicContact CE-CG 4.37Å; Y278-L282 WeakPolarHBondContact O-CB 3.46Å; Y278-L282 PolarHBondContact O-N 2.73Å; K280-L282 VanDerWaalsContact C-N 3.33Å; K280-L282 PolarHBondContact O-N 3.07Å; L282-Q285 PolarHBondContact O-N 3.06Å; L282-R286 HydrophobicContact CD1-CG 4.2Å; L282-R286 VanDerWaalsContact CD1-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 PolarHBondContact O-N 3.39Å
283V95.2Very high95.2Very high0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-65.3-40.8178.4171.70000111.3T202 M243 L247 I260 V279 K280 L287 F289 T291T202-V283 HydrophobicContact CG2-CG1 4.27Å; M243-V283 HydrophobicContact CE-CG2 3.72Å; L247-V283 HydrophobicContact CD1-CG2 3.89Å; I260-V283 HydrophobicContact CD1-CG2 4.06Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 2.88Å; V279-V283 VanDerWaalsContact O-N 3.12Å; K280-V283 PolarHBondContact O-N 3.35Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 2.89Å; V283-F289 HydrophobicContact CG1-CB 4.04Å; V283-F289 HydrophobicContact CG1-CD2 4.42Å; V283-T291 HydrophobicContact CB-CG2 4.44Å; V283-T291 HydrophobicContact CG1-CG2 4.38Å; V283-T291 VanDerWaalsContact CG1-OG1 3.24Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.28Å
284V95.9Very high95.3Very high62 Ų6254.1 Ų54.138%0.37629%0.285SS..Hα-helixtrans-63.1-48.2176.5172.10000111.1K280 D281 G288K280-V284 WeakPolarHBondContact O-CG2 3.43Å; K280-V284 PolarHBondContact O-N 3.03Å; D281-V284 PolarHBondContact O-N 3.37Å; V284-G288 VanDerWaalsContact O-CA 3.29Å; V284-G288 WeakPolarHBondContact O-CA 3.46Å; V284-G288 PolarHBondContact O-N 3.47Å
285Q95.3Very high95.3Very high159 Ų15957.3 Ų57.374%0.74331%0.305SS*.Hα-helixtrans-68.1-38.3-176.7-72172.712.600113.2D281 L282D281-Q285 WeakPolarHBondContact O-CB 3.2Å; D281-Q285 VanDerWaalsContact O-CG 3.23Å; D281-Q285 WeakPolarHBondContact O-CG 3.45Å; D281-Q285 PolarHBondContact O-N 3.27Å; L282-Q285 PolarHBondContact O-N 3.06Å
286R94.8Very high95.3Very high119 Ų11955.6 Ų55.645%0.44929%0.292SS..Hα-helixtrans-92.6-32.3-174.1-67.5-174.9174.2-162-2114.8E240 N241 L282E240-R286 VanDerWaalsContact CB-NH1 3.34Å; E240-R286 PolarHBondContact O-NH1 3Å; N241-R286 PolarHBondContact OD1-NH1 3.42Å; L282-R286 HydrophobicContact CD1-CG 4.2Å; L282-R286 VanDerWaalsContact CD1-NE 3.31Å; L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 PolarHBondContact O-N 3.39Å
287L92.3Very high95.2Very high48 Ų4856 Ų5625%0.25130%0.298SS..Hα-helixtrans-113.8-13.5-175.9-60.5-179000113.9C244 L247 V283 F289C244-L287 HydrophobicContact CB-CD1 4.26Å; C244-L287 HydrophobicContact CB-CD2 4.05Å; C244-L287 HydrophobicContact CB-CG 4.14Å; L247-L287 HydrophobicContact CB-CD1 3.72Å; L247-L287 HydrophobicContact CD1-CD1 4.29Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å; V283-L287 WeakPolarHBondContact O-CB 3.43Å; V283-L287 PolarHBondContact O-N 2.89Å; L287-F289 HydrophobicContact CB-CD1 3.83Å; L287-F289 HydrophobicContact CB-CD2 4.14Å; L287-F289 HydrophobicContact CB-CE1 3.99Å; L287-F289 HydrophobicContact CB-CE2 4.32Å; L287-F289 HydrophobicContact CB-CG 3.9Å; L287-F289 HydrophobicContact CB-CZ 4.23Å; L287-F289 HydrophobicContact CD1-CD2 3.93Å; L287-F289 HydrophobicContact CD1-CE2 3.74Å; L287-F289 HydrophobicContact CD1-CZ 4.15Å; L287-F289 VanDerWaalsContact O-CD1 3.23Å; L287-F289 WeakPolarHBondContact O-CD1 3.2Å; L287-F289 PolarHBondContact O-N 2.78Å
288G92.3Very high95Very high63 Ų6359.7 Ų59.765%0.64931%0.308SS*.  trans66.412.5-174.800000114.4V284V284-G288 VanDerWaalsContact O-CA 3.29Å; V284-G288 WeakPolarHBondContact O-CA 3.46Å; V284-G288 PolarHBondContact O-N 3.47Å
289F92.8Very high94.9Very high38 Ų3858.6 Ų58.617%0.16731%0.312CS..  trans-75134.7-177.5-68-0.6000111.1T202 L247 R251 V283 L287 T291T202-F289 WeakPolarHBondContact OG1-CD2 3.11Å; L247-F289 HydrophobicContact CB-CE2 4.32Å; R251-F289 HydrophobicContact CB-CE2 4.01Å; R251-F289 HydrophobicContact CB-CZ 3.66Å; R251-F289 HydrophobicContact CG-CE1 4.12Å; R251-F289 HydrophobicContact CG-CE2 4.18Å; R251-F289 HydrophobicContact CG-CZ 3.61Å; V283-F289 HydrophobicContact CG1-CB 4.04Å; V283-F289 HydrophobicContact CG1-CD2 4.42Å; L287-F289 HydrophobicContact CB-CD1 3.83Å; L287-F289 HydrophobicContact CB-CD2 4.14Å; L287-F289 HydrophobicContact CB-CE1 3.99Å; L287-F289 HydrophobicContact CB-CE2 4.32Å; L287-F289 HydrophobicContact CB-CG 3.9Å; L287-F289 HydrophobicContact CB-CZ 4.23Å; L287-F289 HydrophobicContact CD1-CD2 3.93Å; L287-F289 HydrophobicContact CD1-CE2 3.74Å; L287-F289 HydrophobicContact CD1-CZ 4.15Å; L287-F289 VanDerWaalsContact O-CD1 3.23Å; L287-F289 WeakPolarHBondContact O-CD1 3.2Å; L287-F289 PolarHBondContact O-N 2.78Å; F289-T291 PolarHBondContact O-N 2.75Å; F289-T291 PolarHBondContact O-OG1 2.91Å
290D93Very high94.9Very high65 Ų6558.7 Ų58.735%0.34831%0.312SS..  trans-6599.4174.7-172.730.5000110R201 T202 R292R201-D290 WeakPolarHBondContact CA-O 3.21Å; R201-D290 WeakPolarHBondContact CB-O 3.38Å; R201-D290 HydrophobicContact CG-CB 4.24Å; R201-D290 IonicContact CZ-OD2 2.81Å; R201-D290 IonicContact NE-OD2 4Å; R201-D290 PolarHBondContact NE-OD2 2.87Å; R201-D290 IonicContact NH2-OD2 3.38Å; R201-D290 PolarHBondContact NH2-OD2 3.22Å; R201-D290 VanDerWaalsContact NH2-OD2 3.16Å; T202-D290 PolarHBondContact N-O 3.04Å; T202-D290 VanDerWaalsContact N-O 3.08Å; D290-R292 IonicContact OD1-CZ 2.67Å; D290-R292 IonicContact OD1-NH1 2.84Å; D290-R292 PolarHBondContact OD1-NH1 3.09Å; D290-R292 IonicContact OD1-NH2 2.83Å; D290-R292 PolarHBondContact OD1-NH2 2.87Å; D290-R292 IonicContact OD2-CZ 3.12Å; D290-R292 IonicContact OD2-NH2 2.78Å; D290-R292 PolarHBondContact OD2-NH2 3.32Å
291T95.3Very high94.7Very high1 Ų157.2 Ų57.21%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-111.4135.2-167.9-540000111.3T202 V204 K280 V283 F289T202-T291 HydrophobicContact CG2-CG2 4.01Å; T202-T291 VanDerWaalsContact O-CA 3.31Å; T202-T291 WeakPolarHBondContact O-CA 3.35Å; V204-T291 HydrophobicContact CG2-CG2 3.95Å; K280-T291 HydrophobicContact CB-CG2 4.03Å; K280-T291 HydrophobicContact CG-CG2 3.78Å; V283-T291 HydrophobicContact CB-CG2 4.44Å; V283-T291 HydrophobicContact CG1-CG2 4.38Å; V283-T291 VanDerWaalsContact CG1-OG1 3.24Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.28Å; F289-T291 PolarHBondContact O-N 2.75Å; F289-T291 PolarHBondContact O-OG1 2.91Å
292R95.8Very high94.3Very high105 Ų10555.7 Ų55.740%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-124.2147.3177.4-66.3-66.4174.3-75.6-12.3110.8T202 F203 V204 D290T202-R292 PolarHBondContact O-N 3.09Å; F203-R292 WeakPolarHBondContact CA-O 3.29Å; F203-R292 HydrophobicContact CD1-CB 3.98Å; F203-R292 HydrophobicContact CE1-CB 3.72Å; F203-R292 HydrophobicContact CE1-CG 4.42Å; F203-R292 HydrophobicContact CZ-CB 4.1Å; F203-R292 HydrophobicContact CZ-CG 4.38Å; V204-R292 PolarHBondContact N-O 3.25Å; D290-R292 IonicContact OD1-CZ 2.67Å; D290-R292 IonicContact OD1-NH1 2.84Å; D290-R292 PolarHBondContact OD1-NH1 3.09Å; D290-R292 IonicContact OD1-NH2 2.83Å; D290-R292 PolarHBondContact OD1-NH2 2.87Å; D290-R292 IonicContact OD2-CZ 3.12Å; D290-R292 IonicContact OD2-NH2 2.78Å; D290-R292 PolarHBondContact OD2-NH2 3.32Å
293V96.9Very high94.2Very high51 Ų5157.3 Ų57.331%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-99.4142.7170.8175.60000108.3V204 S276 K280 V295V204-V293 HydrophobicContact CB-CG2 4.25Å; V204-V293 CarbonylContact O-C 3.56Å; V204-V293 WeakPolarHBondContact O-CA 3.3Å; S276-V293 WeakPolarHBondContact O-CG2 3.44Å; K280-V293 HydrophobicContact CB-CG2 3.51Å; K280-V293 HydrophobicContact CD-CG2 3.97Å; K280-V293 HydrophobicContact CG-CG2 3.82Å; V293-V295 HydrophobicContact CG1-CG2 4.14Å
294T96.4Very high94.1Very high44 Ų4461.4 Ų61.427%0.2735%0.348SS..EExtended strand (participates in β ladder)trans-137.4114.5166.3-54.30000109I192 V204 L205 E206 L296I192-T294 HydrophobicContact CD1-CG2 4Å; V204-T294 PolarHBondContact O-N 3.45Å; L205-T294 WeakPolarHBondContact CA-O 3.23Å; E206-T294 PolarHBondContact N-O 3.49Å; T294-L296 HydrophobicContact CG2-CD1 4.39Å
295V96.6Very high94.2Very high81 Ų8158.5 Ų58.549%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-90.9114.6173.1-1770000107.4E206 V293 G297E206-V295 HydrophobicContact CB-CB 4.34Å; E206-V295 HydrophobicContact CB-CG1 4.29Å; E206-V295 HydrophobicContact CB-CG2 4.03Å; V293-V295 HydrophobicContact CG1-CG2 4.14Å; V295-G297 VanDerWaalsContact C-N 3.34Å
296L94.9Very high94.3Very high13 Ų1351.1 Ų51.17%0.06830%0.297CS..  trans-70.6-33.6-175.7-84.364.4000111.8I185 V188 E206 T294 Q300I185-L296 HydrophobicContact CB-CD2 4.03Å; I185-L296 HydrophobicContact CG1-CD2 3.85Å; I185-L296 HydrophobicContact CG2-CD2 3.89Å; V188-L296 HydrophobicContact CB-CD2 4.2Å; V188-L296 HydrophobicContact CB-CG 4.28Å; V188-L296 HydrophobicContact CG1-CD1 4.07Å; V188-L296 HydrophobicContact CG1-CD2 4.35Å; V188-L296 HydrophobicContact CG1-CG 3.96Å; V188-L296 HydrophobicContact CG2-CG 4.45Å; E206-L296 PolarHBondContact O-N 3.04Å; E206-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 HydrophobicContact CG2-CD1 4.39Å; L296-Q300 HydrophobicContact CB-CG 3.95Å; L296-Q300 HydrophobicContact CD2-CG 4.25Å
297G93.6Very high94.4Very high20 Ų2045.5 Ų45.521%0.20628%0.276CS..G310 helixtrans52.4-142.4178.200000113.2V295 V299 Q300V295-G297 VanDerWaalsContact C-N 3.34Å; G297-V299 PolarHBondContact O-N 3.48Å; G297-V299 VanDerWaalsContact O-N 3.09Å; G297-Q300 WeakPolarHBondContact O-CB 3.35Å; G297-Q300 WeakPolarHBondContact O-CG 3.41Å; G297-Q300 PolarHBondContact O-N 2.63Å; G297-Q300 PolarHBondContact O-NE2 3.49Å
298H93Very high94.6Very high140 Ų14045.6 Ų45.665%0.64828%0.275SS*.G310 helixtrans-70.4-5.2-170.4-65.184.1000115.2Q300 R301 G302H298-Q300 PolarHBondContact O-N 3.37Å; H298-Q300 VanDerWaalsContact O-N 3.12Å; H298-R301 PolarHBondContact O-N 3.14Å; H298-G302 PolarHBondContact O-N 3.16Å
299V94.1Very high94.9Very high82 Ų8242.6 Ų42.650%0.49724%0.244SC..G310 helixtrans-56.1-26.8168.2178.10000111.1R184 V188 G297R184-V299 VanDerWaalsContact CG-O 3.32Å; R184-V299 WeakPolarHBondContact CG-O 3.33Å; V188-V299 HydrophobicContact CG2-CG1 4.5Å; G297-V299 PolarHBondContact O-N 3.48Å; G297-V299 VanDerWaalsContact O-N 3.09Å
300Q95.8Very high95.1Very high1 Ų140.9 Ų40.91%0.00524%0.236CC..G310 helixtrans-71.5-23.4177.4-61.41699800113.8Q28 I165 A181 I185 M208 L296 G297 H298Q28-Q300 PolarHBondContact NE2-O 2.93Å; I165-Q300 HydrophobicContact CD1-CB 4.27Å; A181-Q300 WeakPolarHBondContact CA-O 3.48Å; A181-Q300 WeakPolarHBondContact CB-O 3.46Å; I185-Q300 HydrophobicContact CG1-CG 3.86Å; M208-Q300 VanDerWaalsContact CG-NE2 3.35Å; M208-Q300 HydrophobicContact SD-CB 4.32Å; L296-Q300 HydrophobicContact CB-CG 3.95Å; L296-Q300 HydrophobicContact CD2-CG 4.25Å; G297-Q300 WeakPolarHBondContact O-CB 3.35Å; G297-Q300 WeakPolarHBondContact O-CG 3.41Å; G297-Q300 PolarHBondContact O-N 2.63Å; G297-Q300 PolarHBondContact O-NE2 3.49Å; H298-Q300 PolarHBondContact O-N 3.37Å; H298-Q300 VanDerWaalsContact O-N 3.12Å
301R92.6Very high95.2Very high36 Ų3638.7 Ų38.714%0.13623%0.225CC..THydrogen-bonded Turntrans-95.2-25.3175.6-68-178.4178.5-89.9-8.2113.3D26 Q28 I165 D166 M208 H298D26-R301 PolarHBondContact O-NH1 3.39Å; Q28-R301 WeakPolarHBondContact CG-O 3.39Å; Q28-R301 PolarHBondContact NE2-O 3.29Å; Q28-R301 PolarHBondContact OE1-O 2.67Å; I165-R301 HydrophobicContact CD1-CG 3.71Å; I165-R301 HydrophobicContact CG1-CG 4.44Å; I165-R301 HydrophobicContact CG2-CG 4.44Å; D166-R301 IonicContact OD2-NH2 2.94Å; M208-R301 HydrophobicContact SD-CG 4.5Å; H298-R301 PolarHBondContact O-N 3.14Å
302G88.9Confident95.2Very high31 Ų3138.9 Ų38.932%0.3223%0.226SC..  trans-80.9176.3-179.700000114.6Q28 H298Q28-G302 PolarHBondContact NE2-O 2.99Å; H298-G302 PolarHBondContact O-N 3.16Å
303G92.1Very high95.2Very high44 Ų4433.9 Ų33.945%0.45421%0.207SC..SBendtrans91.8177.8176.300000114.4G80G80-G303 WeakPolarHBondContact CA-O 3.4Å
304T94Very high95.2Very high86 Ų8631.5 Ų31.553%0.52819%0.192SC..PPolyproline II helixtrans-76.6142.9177.450.60000110.6Q78Q78-T304 WeakPolarHBondContact O-CG2 3.23Å
305P97.1Very high95Very high1 Ų130.8 Ų30.81%0.00619%0.186CC..PPolyproline II helixtrans-67.5145.8175.823.3-29000112Q28 S180 D309 R310Q28-P305 HydrophobicContact CB-CB 3.89Å; S180-P305 WeakPolarHBondContact OG-CA 3.3Å; P305-D309 HydrophobicContact CB-CB 4.36Å; P305-R310 HydrophobicContact CB-CG 3.91Å; P305-R310 HydrophobicContact CG-CG 3.76Å; P305-R310 PolarHBondContact O-NE 2.97Å; P305-R310 PolarHBondContact O-NH2 2.94Å
306S97.8Very high94.9Very high5 Ų527 Ų274%0.03516%0.162CC..PPolyproline II helixtrans-64165.517376.40000111.7D179 S180 F308 D309 R310D179-S306 WeakPolarHBondContact OD2-CB 3.32Å; D179-S306 PolarHBondContact OD2-OG 2.9Å; S180-S306 PolarHBondContact OG-N 3.13Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 2.88Å; S306-F308 PolarHBondContact OG-N 2.78Å; S306-D309 PolarHBondContact O-N 2.87Å; S306-D309 PolarHBondContact OG-N 2.92Å; S306-R310 VanDerWaalsContact O-CG 3.29Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 2.96Å; S306-R310 VanDerWaalsContact O-N 3.14Å
307A97.5Very high95Very high1 Ų126.3 Ų26.31%0.00816%0.159CC..Hα-helixtrans-61.4-39.7176.100000112.2R310 V311 V545 N546 M549 A586A307-R310 PolarHBondContact O-N 3.44Å; A307-V311 VanDerWaalsContact O-CG2 3.29Å; A307-V311 WeakPolarHBondContact O-CG2 3.41Å; A307-V311 PolarHBondContact O-N 3.39Å; A307-V545 HydrophobicContact CB-CB 4.36Å; A307-V545 HydrophobicContact CB-CG1 3.54Å; A307-N546 PolarHBondContact N-OD1 3.44Å; A307-M549 WeakPolarHBondContact CA-SD 3.11Å; A307-M549 HydrophobicContact CB-CE 4.29Å; A307-M549 HydrophobicContact CB-SD 3.71Å; A307-A586 HydrophobicContact CB-CB 4.21Å
308F96.5Very high95Very high50 Ų5025.4 Ų25.422%0.21915%0.15CC..Hα-helixtrans-59.7-53.7177.2-177.4-91.8000111.1M174 D179 S306 R310 V311 L312 L338M174-F308 HydrophobicContact CB-CE1 4.09Å; M174-F308 HydrophobicContact CB-CZ 4.43Å; M174-F308 HydrophobicContact CE-CE1 4.47Å; M174-F308 HydrophobicContact CG-CE1 3.9Å; D179-F308 HydrophobicContact CB-CB 4.42Å; D179-F308 HydrophobicContact CB-CD1 3.86Å; D179-F308 HydrophobicContact CB-CG 4.46Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 2.88Å; S306-F308 PolarHBondContact OG-N 2.78Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 3.49Å; F308-V311 PolarHBondContact O-N 2.99Å; F308-L312 HydrophobicContact CD1-CD2 4.39Å; F308-L312 HydrophobicContact CE1-CB 4.31Å; F308-L312 HydrophobicContact CE1-CD2 3.66Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.23Å; F308-L312 PolarHBondContact O-N 3.14Å; F308-L338 HydrophobicContact CZ-CD2 4.44Å
309D97.4Very high95Very high0 Ų018.8 Ų18.80%012%0.119CC..Hα-helixtrans-61.9-36.2-178.7-85.2-44.2000112.7G177 S180 P305 S306 S313G177-D309 VanDerWaalsContact CA-OD2 3.29Å; G177-D309 WeakPolarHBondContact CA-OD2 3.48Å; G177-D309 VanDerWaalsContact N-CG 3.31Å; G177-D309 PolarHBondContact N-OD1 2.8Å; G177-D309 PolarHBondContact N-OD2 3.15Å; S180-D309 VanDerWaalsContact CB-OD2 3.22Å; S180-D309 WeakPolarHBondContact CB-OD2 3.38Å; S180-D309 PolarHBondContact N-OD2 3.27Å; S180-D309 PolarHBondContact OG-OD2 3.14Å; P305-D309 HydrophobicContact CB-CB 4.36Å; S306-D309 PolarHBondContact O-N 2.87Å; S306-D309 PolarHBondContact OG-N 2.92Å; D309-S313 WeakPolarHBondContact O-CB 3.43Å; D309-S313 PolarHBondContact O-N 2.87Å; D309-S313 PolarHBondContact O-OG 2.76Å
310R97.6Very high95.1Very high1 Ų114.9 Ų14.90%0.00410%0.095CC..Hα-helixtrans-67-41.4176.3-67179.7-157.9-164.44.1112.9A32 I77 P305 S306 A307 F308 S314 M549 D553 A586A32-R310 HydrophobicContact CB-CB 4.47Å; I77-R310 HydrophobicContact CG1-CB 4.39Å; I77-R310 HydrophobicContact CG1-CG 4.36Å; P305-R310 HydrophobicContact CB-CG 3.91Å; P305-R310 HydrophobicContact CG-CG 3.76Å; P305-R310 PolarHBondContact O-NE 2.97Å; P305-R310 PolarHBondContact O-NH2 2.94Å; S306-R310 VanDerWaalsContact O-CG 3.29Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 2.96Å; S306-R310 VanDerWaalsContact O-N 3.14Å; A307-R310 PolarHBondContact O-N 3.44Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 3.49Å; R310-S314 VanDerWaalsContact O-CB 3.27Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 3.4Å; R310-S314 PolarHBondContact O-OG 2.83Å; R310-M549 PolarHBondContact NE-SD 3.07Å; R310-D553 IonicContact CZ-OD2 3.3Å; R310-D553 IonicContact NH1-OD1 3.07Å; R310-D553 IonicContact NH1-OD2 3.83Å; R310-D553 PolarHBondContact NH1-OD2 2.95Å; R310-D553 IonicContact NH2-OD2 3.33Å; R310-D553 PolarHBondContact NH2-OD2 2.98Å; R310-A586 HydrophobicContact CB-CB 4.39Å; R310-A586 WeakPolarHBondContact CD-O 3.49Å; R310-A586 PolarHBondContact NH1-O 3.38Å
311V96.1Very high95Very high19 Ų1914.9 Ų14.912%0.11510%0.095CC..Hα-helixtrans-72-46.1179.11740000110.3A307 F308 S314 K315 V582 I585 A586A307-V311 VanDerWaalsContact O-CG2 3.29Å; A307-V311 WeakPolarHBondContact O-CG2 3.41Å; A307-V311 PolarHBondContact O-N 3.39Å; F308-V311 PolarHBondContact O-N 2.99Å; V311-S314 PolarHBondContact O-N 3.09Å; V311-K315 WeakPolarHBondContact O-CB 3.33Å; V311-K315 PolarHBondContact O-N 3.42Å; V311-V582 HydrophobicContact CG2-CG1 3.96Å; V311-I585 HydrophobicContact CB-CG2 4.44Å; V311-I585 HydrophobicContact CG1-CG2 4.35Å; V311-I585 HydrophobicContact CG2-CB 4.2Å; V311-I585 HydrophobicContact CG2-CG2 4Å; V311-A586 HydrophobicContact CG2-CB 3.92Å
312L95.2Very high94.9Very high6 Ų613.5 Ų13.53%0.0319%0.09CC..Hα-helixtrans-55.7-55.3175176.461.8000111M174 I176 F308 S314 K315 M316 L338M174-L312 HydrophobicContact CB-CD2 4.41Å; I176-L312 HydrophobicContact CG1-CD2 4.47Å; F308-L312 HydrophobicContact CD1-CD2 4.39Å; F308-L312 HydrophobicContact CE1-CB 4.31Å; F308-L312 HydrophobicContact CE1-CD2 3.66Å; F308-L312 HydrophobicContact CZ-CD2 4.29Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.23Å; F308-L312 PolarHBondContact O-N 3.14Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.76Å; L312-K315 WeakPolarHBondContact O-CB 3.12Å; L312-K315 PolarHBondContact O-N 2.97Å; L312-K315 VanDerWaalsContact O-N 3.13Å; L312-M316 HydrophobicContact CD1-CG 3.93Å; L312-M316 HydrophobicContact CD1-SD 3.43Å; L312-M316 WeakPolarHBondContact CD1-SD 3.39Å; L312-M316 HydrophobicContact CD2-SD 4.2Å; L312-M316 HydrophobicContact CG-CG 4.4Å; L312-M316 HydrophobicContact CG-SD 3.52Å; L312-M316 VanDerWaalsContact CG-SD 3.52Å; L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.07Å; L312-M316 PolarHBondContact O-N 3.21Å; L312-L338 HydrophobicContact CD1-CB 4.02Å; L312-L338 HydrophobicContact CD1-CD1 3.99Å; L312-L338 HydrophobicContact CD1-CD2 4.08Å; L312-L338 HydrophobicContact CD1-CG 4.27Å
313S96.1Very high95Very high0 Ų012.3 Ų12.30%08%0.078CC..Hα-helixtrans-59.1-38.3178.6-60.70000112.5G29 I176 D309 G317G29-S313 WeakPolarHBondContact O-CB 3.34Å; G29-S313 PolarHBondContact O-OG 2.94Å; I176-S313 WeakPolarHBondContact CG2-OG 3.4Å; D309-S313 WeakPolarHBondContact O-CB 3.43Å; D309-S313 PolarHBondContact O-N 2.87Å; D309-S313 PolarHBondContact O-OG 2.76Å; S313-G317 PolarHBondContact O-N 2.72Å
314S95.8Very high95.1Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-67.3-40.6177.5-62.70000112A36 R310 V311 L312 M318A36-S314 VanDerWaalsContact CB-O 3.3Å; A36-S314 WeakPolarHBondContact CB-O 3.41Å; R310-S314 VanDerWaalsContact O-CB 3.27Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 3.4Å; R310-S314 PolarHBondContact O-OG 2.83Å; V311-S314 PolarHBondContact O-N 3.09Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.76Å; S314-M318 PolarHBondContact O-N 3.48Å
315K93.3Very high94.9Very high29 Ų296.9 Ų6.913%0.1264%0.035CC..Hα-helixtrans-65.2-52.1176.3-179.1168.2-178.1165.50111.6V311 L312 G317 M318 E319 N341 S343 L744 M747V311-K315 WeakPolarHBondContact O-CB 3.33Å; V311-K315 PolarHBondContact O-N 3.42Å; L312-K315 WeakPolarHBondContact O-CB 3.12Å; L312-K315 PolarHBondContact O-N 2.97Å; L312-K315 VanDerWaalsContact O-N 3.13Å; K315-G317 VanDerWaalsContact C-N 3.32Å; K315-G317 PolarHBondContact O-N 3.23Å; K315-M318 PolarHBondContact O-N 2.87Å; K315-E319 PolarHBondContact O-N 2.96Å; K315-E319 VanDerWaalsContact O-N 3.11Å; K315-N341 PolarHBondContact NZ-O 3.15Å; K315-S343 WeakPolarHBondContact CE-OG 3.41Å; K315-L744 HydrophobicContact CD-CD2 4.4Å; K315-M747 HydrophobicContact CB-CE 3.65Å; K315-M747 HydrophobicContact CB-SD 4.31Å; K315-M747 HydrophobicContact CD-CE 4.35Å; K315-M747 HydrophobicContact CG-CE 3.78Å
316M94.6Very high94.5Very high1 Ų110.8 Ų10.81%0.0055%0.053CC..Hα-helixtrans-63.8-38.3-179.2-62.7168.38200111.6L161 I176 L312 M318 E319 A320 V336L161-M316 HydrophobicContact CD2-CB 3.79Å; I176-M316 HydrophobicContact CD1-CE 4.39Å; I176-M316 HydrophobicContact CD1-SD 3.93Å; I176-M316 HydrophobicContact CG1-SD 3.92Å; L312-M316 HydrophobicContact CD1-CG 3.93Å; L312-M316 HydrophobicContact CD1-SD 3.43Å; L312-M316 WeakPolarHBondContact CD1-SD 3.39Å; L312-M316 HydrophobicContact CD2-SD 4.2Å; L312-M316 HydrophobicContact CG-CG 4.4Å; L312-M316 HydrophobicContact CG-SD 3.52Å; L312-M316 VanDerWaalsContact CG-SD 3.52Å; L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.07Å; L312-M316 PolarHBondContact O-N 3.21Å; M316-M318 PolarHBondContact O-N 3.11Å; M316-E319 PolarHBondContact O-N 3.49Å; M316-A320 WeakPolarHBondContact O-CB 2.93Å; M316-A320 PolarHBondContact O-N 2.9Å; M316-V336 HydrophobicContact CB-CB 4.48Å; M316-V336 HydrophobicContact CB-CG1 4.02Å; M316-V336 WeakPolarHBondContact CE-O 3.48Å; M316-V336 HydrophobicContact CG-CG1 4.14Å
317G95.8Very high94Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-65.8-33.3176.600000114.3V37 S313 K315V37-G317 WeakPolarHBondContact CG2-O 3.3Å; S313-G317 PolarHBondContact O-N 2.72Å; K315-G317 VanDerWaalsContact C-N 3.32Å; K315-G317 PolarHBondContact O-N 3.23Å
318M93.6Very high93.5Very high1 Ų114.8 Ų14.81%0.0058%0.08CC..Hα-helixtrans-67.9-46.7170.2-75.9-175.562.100111.7M40 S314 K315 M316 A320 V321 M322 M747 M750 L751 Y761M40-M318 HydrophobicContact CB-CG 4.1Å; M40-M318 HydrophobicContact CE-CE 4.43Å; M40-M318 HydrophobicContact CG-CB 4.31Å; M40-M318 HydrophobicContact CG-CG 4.19Å; M40-M318 HydrophobicContact SD-CE 3.89Å; S314-M318 PolarHBondContact O-N 3.48Å; K315-M318 PolarHBondContact O-N 2.87Å; M316-M318 PolarHBondContact O-N 3.11Å; M318-A320 VanDerWaalsContact C-N 3.31Å; M318-A320 PolarHBondContact O-N 3.33Å; M318-V321 PolarHBondContact O-N 3.21Å; M318-V321 VanDerWaalsContact O-N 3.15Å; M318-M322 PolarHBondContact O-N 3.18Å; M318-M747 HydrophobicContact CE-CB 4.26Å; M318-M747 HydrophobicContact SD-CB 3.7Å; M318-M747 HydrophobicContact SD-CE 4.39Å; M318-M747 HydrophobicContact SD-CG 3.53Å; M318-M747 VanDerWaalsContact SD-CG 3.53Å; M318-M747 HydrophobicContact SD-SD 4.48Å; M318-M750 HydrophobicContact CE-CB 4.29Å; M318-M750 HydrophobicContact CE-CE 3.71Å; M318-M750 HydrophobicContact CE-SD 3.81Å; M318-L751 HydrophobicContact CG-CD1 4.41Å; M318-L751 HydrophobicContact CG-CD2 4.02Å; M318-L751 HydrophobicContact CG-CG 4.38Å; M318-L751 HydrophobicContact SD-CD1 3.86Å; M318-L751 HydrophobicContact SD-CD2 4.01Å; M318-L751 HydrophobicContact SD-CG 3.75Å; M318-Y761 HydrophobicContact CE-CE2 4.39Å
319E93Very high92.9Very high1 Ų115.4 Ų15.41%0.0059%0.089CC..Hα-helixtrans-67.7-31.2-177.3-169.456.9-154.400112.4K315 M316 V321 M322 A323 V336 R345 Y761 G764K315-E319 PolarHBondContact O-N 2.96Å; K315-E319 VanDerWaalsContact O-N 3.11Å; M316-E319 PolarHBondContact O-N 3.49Å; E319-V321 VanDerWaalsContact C-N 3.32Å; E319-V321 PolarHBondContact O-N 3.3Å; E319-M322 PolarHBondContact O-N 3.49Å; E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 2.83Å; E319-V336 HydrophobicContact CB-CG1 4.04Å; E319-V336 HydrophobicContact CG-CG1 4.12Å; E319-R345 IonicContact OE1-CZ 2.63Å; E319-R345 IonicContact OE1-NE 3.01Å; E319-R345 PolarHBondContact OE1-NE 3.4Å; E319-R345 IonicContact OE1-NH2 2.67Å; E319-R345 PolarHBondContact OE1-NH2 3.48Å; E319-Y761 PolarHBondContact OE2-OH 3.28Å; E319-G764 PolarHBondContact OE1-N 3.29Å
320A95.6Very high92.4Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-63.2-36172.300000112.7A159 L161 M316 M318 L324 V336A159-A320 HydrophobicContact CB-CB 4.06Å; L161-A320 HydrophobicContact CD2-CB 3.96Å; L161-A320 HydrophobicContact CG-CB 4.37Å; M316-A320 WeakPolarHBondContact O-CB 2.93Å; M316-A320 PolarHBondContact O-N 2.9Å; M318-A320 VanDerWaalsContact C-N 3.31Å; M318-A320 PolarHBondContact O-N 3.33Å; A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 VanDerWaalsContact O-CG 3.29Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 2.91Å; A320-V336 HydrophobicContact CB-CG2 3.96Å
321V94.9Very high91.9Very high0 Ų024.6 Ų24.60%014%0.14CC..Hα-helixtrans-67.3-44.2173.3173.10000110.6I18 V37 M40 V44 M318 E319 A323 L324 L325I18-V321 HydrophobicContact CD1-CG1 4.03Å; I18-V321 HydrophobicContact CD1-CG2 4.45Å; V37-V321 HydrophobicContact CB-CG2 4.22Å; V37-V321 HydrophobicContact CG1-CG2 3.72Å; V37-V321 WeakPolarHBondContact O-CG2 3.38Å; M40-V321 HydrophobicContact CB-CB 4.21Å; M40-V321 HydrophobicContact CB-CG1 4.39Å; M40-V321 HydrophobicContact CB-CG2 4.07Å; M40-V321 HydrophobicContact CG-CB 3.83Å; M40-V321 HydrophobicContact CG-CG1 3.87Å; M40-V321 HydrophobicContact CG-CG2 4.26Å; V44-V321 HydrophobicContact CG2-CG1 4.1Å; M318-V321 PolarHBondContact O-N 3.21Å; M318-V321 VanDerWaalsContact O-N 3.15Å; E319-V321 VanDerWaalsContact C-N 3.32Å; E319-V321 PolarHBondContact O-N 3.3Å; V321-A323 VanDerWaalsContact C-N 3.35Å; V321-A323 PolarHBondContact O-N 2.82Å; V321-L324 PolarHBondContact O-N 2.95Å; V321-L325 HydrophobicContact CG1-CD1 3.77Å; V321-L325 HydrophobicContact CG1-CG 4.3Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.91Å
322M90.8Very high91.5Very high7 Ų726.3 Ų26.33%0.03415%0.151CC..Hα-helixtrans-60-46176.5-63.7-55.2-57.900111.2L9 M40 M318 E319 L324 L325 E326 M758 Y761L9-M322 HydrophobicContact CD1-CE 4.22Å; M40-M322 HydrophobicContact CE-CG 4.16Å; M40-M322 HydrophobicContact CE-SD 3.4Å; M40-M322 WeakPolarHBondContact CE-SD 3.42Å; M318-M322 PolarHBondContact O-N 3.18Å; E319-M322 PolarHBondContact O-N 3.49Å; M322-L324 PolarHBondContact O-N 2.94Å; M322-L325 PolarHBondContact O-N 3.47Å; M322-L325 VanDerWaalsContact O-N 3.15Å; M322-E326 WeakPolarHBondContact CE-OE1 3.27Å; M322-E326 WeakPolarHBondContact O-CB 3.3Å; M322-E326 WeakPolarHBondContact O-CG 3.45Å; M322-E326 PolarHBondContact O-N 2.72Å; M322-M758 HydrophobicContact CE-CE 4.39Å; M322-M758 HydrophobicContact SD-CE 4.22Å; M322-Y761 HydrophobicContact CG-CE1 4.04Å
323A91.2Very high91.4Very high7 Ų726.1 Ų26.16%0.05815%0.151CC..Hα-helixtrans-58.1-44.5175.800000113E319 V321 L325 A327E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 2.83Å; V321-A323 VanDerWaalsContact C-N 3.35Å; V321-A323 PolarHBondContact O-N 2.82Å; A323-L325 VanDerWaalsContact C-N 3.33Å; A323-L325 PolarHBondContact O-N 2.93Å; A323-A327 VanDerWaalsContact O-CB 3.31Å; A323-A327 WeakPolarHBondContact O-CB 3.32Å; A323-A327 PolarHBondContact O-N 2.81Å
324L93.1Very high91.3Very high1 Ų126.5 Ų26.51%0.00515%0.153CC..Hα-helixtrans-66.1-32.6176.6-74.1172.5000113.3I18 N112 C114 N157 A159 A320 V321 M322I18-L324 HydrophobicContact CG2-CD1 3.99Å; N112-L324 HydrophobicContact CB-CB 4.19Å; N112-L324 HydrophobicContact CB-CD1 4.22Å; N112-L324 HydrophobicContact CB-CD2 4.08Å; N112-L324 HydrophobicContact CB-CG 4.39Å; N112-L324 PolarHBondContact OD1-O 3.15Å; C114-L324 HydrophobicContact CB-CD1 4.12Å; N157-L324 HydrophobicContact CB-CD2 3.82Å; A159-L324 HydrophobicContact CB-CD1 4.13Å; A159-L324 HydrophobicContact CB-CD2 3.86Å; A159-L324 HydrophobicContact CB-CG 3.69Å; A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 VanDerWaalsContact O-CG 3.29Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 2.91Å; V321-L324 PolarHBondContact O-N 2.95Å; M322-L324 PolarHBondContact O-N 2.94Å
325L89.5Confident91.2Very high14 Ų1426.5 Ų26.57%0.07315%0.153CC..Hα-helixtrans-79.1-32-179.9-68.4174.3000113K16 V44 V321 M322 A323K16-L325 HydrophobicContact CD-CD2 3.56Å; K16-L325 PolarHBondContact NZ-O 3.13Å; V44-L325 HydrophobicContact CB-CD1 4.15Å; V44-L325 HydrophobicContact CG2-CD1 3.43Å; V44-L325 VanDerWaalsContact CG2-CD1 3.43Å; V321-L325 HydrophobicContact CG1-CD1 3.77Å; V321-L325 HydrophobicContact CG1-CG 4.3Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.91Å; M322-L325 PolarHBondContact O-N 3.47Å; M322-L325 VanDerWaalsContact O-N 3.15Å; A323-L325 VanDerWaalsContact C-N 3.33Å; A323-L325 PolarHBondContact O-N 2.93Å
326E88.7Confident91.3Very high84 Ų8425.1 Ų25.139%0.39315%0.147SC..Hα-helixtrans-85-15.4177.3-68165.5-167.500112.6M322 R345M322-E326 WeakPolarHBondContact CE-OE1 3.27Å; M322-E326 WeakPolarHBondContact O-CB 3.3Å; M322-E326 WeakPolarHBondContact O-CG 3.45Å; M322-E326 PolarHBondContact O-N 2.72Å; E326-R345 IonicContact OE1-NH2 3.71Å; E326-R345 IonicContact OE2-CZ 3.86Å; E326-R345 IonicContact OE2-NH1 2.77Å; E326-R345 PolarHBondContact OE2-NH1 2.92Å; E326-R345 IonicContact OE2-NH2 2.69Å; E326-R345 PolarHBondContact OE2-NH2 3.36Å
327A88.6Confident91.1Very high23 Ų2325.1 Ų25.119%0.1915%0.147CC..  trans-62133.2-179.600000113.7N157 A323 T331N157-A327 HydrophobicContact CB-CB 4.09Å; A323-A327 VanDerWaalsContact O-CB 3.31Å; A323-A327 WeakPolarHBondContact O-CB 3.32Å; A323-A327 PolarHBondContact O-N 2.81Å; A327-T331 HydrophobicContact CB-CG2 4.36Å
328T86.8Confident90.8Very high67 Ų6725.8 Ų25.841%0.41115%0.15SC..  trans-105.9167.4170.968.60000110.5D330 T331T328-D330 PolarHBondContact O-N 3.43Å; T328-T331 PolarHBondContact N-OG1 3.3Å; T328-T331 VanDerWaalsContact O-CB 3.28Å; T328-T331 WeakPolarHBondContact O-CB 3.37Å; T328-T331 PolarHBondContact O-N 3.2Å; T328-T331 PolarHBondContact O-OG1 3.44Å; T328-T331 PolarHBondContact OG1-N 3.18Å; T328-T331 PolarHBondContact OG1-OG1 2.85Å
329P83.9Confident90.4Very high63 Ų6326.7 Ų26.741%0.40916%0.157SC..THydrogen-bonded Turntrans-52.5-38175.5-29.638.3000114R129 T331R129-P329 PolarHBondContact NH2-O 3.36Å; P329-T331 VanDerWaalsContact C-N 3.34Å
330D85.3Confident89.9Confident151 Ų15127.4 Ų27.481%0.80716%0.164SC*.THydrogen-bonded Turntrans-79-14.4179.6-52.9-58.9000113.5T328 P332T328-D330 PolarHBondContact O-N 3.43Å; D330-P332 WeakPolarHBondContact O-CD 3.24Å
331T87.1Confident89Confident43 Ų4328.2 Ų28.226%0.26417%0.169SC..SBendtrans-68.5121.5179.2-57.90000109.5R129 A327 T328 P329R129-T331 PolarHBondContact NH2-O 3.07Å; A327-T331 HydrophobicContact CB-CG2 4.36Å; T328-T331 PolarHBondContact N-OG1 3.3Å; T328-T331 VanDerWaalsContact O-CB 3.28Å; T328-T331 WeakPolarHBondContact O-CB 3.37Å; T328-T331 PolarHBondContact O-N 3.2Å; T328-T331 PolarHBondContact O-OG1 3.44Å; T328-T331 PolarHBondContact OG1-N 3.18Å; T328-T331 PolarHBondContact OG1-OG1 2.85Å; P329-T331 VanDerWaalsContact C-N 3.34Å
332P89.4Confident88.4Confident54 Ų5433.7 Ų33.735%0.35119%0.194SC..PPolyproline II helixtrans-64.9156.1178.628.1-35.1000111.1D330 C334 L766D330-P332 WeakPolarHBondContact O-CD 3.24Å; P332-C334 PolarHBondContact O-N 3.14Å; P332-L766 HydrophobicContact CG-CD2 3.87Å
333A92.2Very high88.1Confident3 Ų334.3 Ų34.33%0.02520%0.2CC..PPolyproline II helixtrans-56.2126169.300000109.4N126 I158 L348N126-A333 WeakPolarHBondContact OD1-CB 3.43Å; I158-A333 HydrophobicContact CB-CB 3.9Å; I158-A333 HydrophobicContact CG2-CB 4.13Å; A333-L348 HydrophobicContact CB-CB 4.21Å; A333-L348 HydrophobicContact CB-CD1 4.2Å; A333-L348 WeakPolarHBondContact O-CB 3.43Å; A333-L348 PolarHBondContact O-N 3.31Å
334C93.5Very high88Confident8 Ų834.4 Ų34.45%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-108.9154.8-177.967.70000111.7I158 A159 G160 P332 L346 L766I158-C334 PolarHBondContact O-N 3.41Å; A159-C334 CarbonylContact C-O 3.55Å; A159-C334 WeakPolarHBondContact CA-O 3.4Å; G160-C334 PolarHBondContact N-O 2.64Å; P332-C334 PolarHBondContact O-N 3.14Å; C334-L346 CarbonylContact C-O 3.5Å; C334-L346 VanDerWaalsContact CA-O 3.23Å; C334-L346 WeakPolarHBondContact CA-O 3.23Å; C334-L766 HydrophobicContact CB-CD1 3.98Å
335V94.6Very high88Confident0 Ų035.4 Ų35.40%020%0.203CC..EExtended strand (participates in β ladder)trans-110.4133.4163.7174.20000107.4L122 G160 V162 F169 L346 L348L122-V335 HydrophobicContact CD1-CG2 4.05Å; G160-V335 WeakPolarHBondContact O-CA 3.28Å; V162-V335 HydrophobicContact CG2-CG1 3.55Å; F169-V335 HydrophobicContact CE1-CG1 4.02Å; F169-V335 HydrophobicContact CE1-CG2 4.48Å; F169-V335 HydrophobicContact CZ-CG1 4.4Å; F169-V335 HydrophobicContact CZ-CG2 4.12Å; V335-L346 PolarHBondContact N-O 3.45Å; V335-L346 PolarHBondContact O-N 2.85Å; V335-L348 HydrophobicContact CG2-CB 3.81Å; V335-L348 HydrophobicContact CG2-CD1 4.04Å; V335-L348 HydrophobicContact CG2-CG 3.68Å
336V94.6Very high88.1Confident0 Ų035.2 Ų35.20%020%0.202CC..EExtended strand (participates in β ladder)trans-82.4130.4168-173.30000107.8G160 L161 M316 E319 A320 V344G160-V336 PolarHBondContact O-N 3.19Å; L161-V336 HydrophobicContact CD2-CB 3.7Å; L161-V336 HydrophobicContact CD2-CG2 4.04Å; M316-V336 HydrophobicContact CB-CB 4.48Å; M316-V336 HydrophobicContact CB-CG1 4.02Å; M316-V336 WeakPolarHBondContact CE-O 3.48Å; M316-V336 HydrophobicContact CG-CG1 4.14Å; E319-V336 HydrophobicContact CB-CG1 4.04Å; E319-V336 HydrophobicContact CG-CG1 4.12Å; A320-V336 HydrophobicContact CB-CG2 3.96Å; V336-V344 WeakPolarHBondContact CA-O 3.35Å
337S91.1Very high88.3Confident0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-134.7173.5-176.3-670000111.1G171 S343 V344G171-S337 WeakPolarHBondContact O-CB 3.32Å; G171-S337 PolarHBondContact O-OG 3.19Å; S337-S343 CarbonylContact O-C 3.49Å; S337-S343 VanDerWaalsContact O-CA 3.3Å; S337-S343 WeakPolarHBondContact O-CA 3.08Å; S337-V344 PolarHBondContact N-O 3.25Å; S337-V344 PolarHBondContact O-N 3.05Å
338L89.4Confident88.4Confident14 Ų1430.5 Ų30.57%0.07318%0.177CC..  trans-148.8121.1171.6162.9140.1000107T172 D173 F308 L312 G340 Q342T172-L338 PolarHBondContact OG1-N 3.32Å; T172-L338 PolarHBondContact OG1-O 3.17Å; T172-L338 VanDerWaalsContact OG1-O 3.09Å; D173-L338 WeakPolarHBondContact CB-O 3.45Å; D173-L338 PolarHBondContact N-O 2.71Å; F308-L338 HydrophobicContact CZ-CD2 4.44Å; L312-L338 HydrophobicContact CD1-CB 4.02Å; L312-L338 HydrophobicContact CD1-CD1 3.99Å; L312-L338 HydrophobicContact CD1-CD2 4.08Å; L312-L338 HydrophobicContact CD1-CG 4.27Å; L338-G340 WeakPolarHBondContact CD1-O 3.44Å; L338-G340 VanDerWaalsContact CD2-O 3.3Å; L338-G340 WeakPolarHBondContact CD2-O 3.5Å; L338-G340 VanDerWaalsContact CG-O 3.3Å; L338-G340 WeakPolarHBondContact CG-O 3.39Å; L338-Q342 WeakPolarHBondContact CA-O 3.3Å; L338-Q342 WeakPolarHBondContact CB-O 3.29Å; L338-Q342 WeakPolarHBondContact CG-O 3.14Å
339S84.8Confident88.6Confident20 Ų2031.1 Ų31.114%0.1418%0.176CC..  cis80.749.115.3-141.80000116.4D173 N341 Q342 V344 K715D173-S339 VanDerWaalsContact OD2-CA 3.25Å; D173-S339 WeakPolarHBondContact OD2-CA 3.34Å; D173-S339 PolarHBondContact OD2-N 2.74Å; S339-N341 PolarHBondContact O-N 3.5Å; S339-N341 VanDerWaalsContact O-N 3.13Å; S339-Q342 PolarHBondContact O-N 3.38Å; S339-Q342 VanDerWaalsContact O-O 3.08Å; S339-V344 VanDerWaalsContact CB-CG2 3.49Å; S339-K715 WeakPolarHBondContact OG-CE 3.28Å
340G83.1Confident88.9Confident16 Ų1630.7 Ų30.717%0.16517%0.169CC..THydrogen-bonded Turntrans61.9-112.117800000111.2D173 L338 K714D173-G340 PolarHBondContact OD2-N 3.3Å; L338-G340 WeakPolarHBondContact CD1-O 3.44Å; L338-G340 VanDerWaalsContact CD2-O 3.3Å; L338-G340 WeakPolarHBondContact CD2-O 3.5Å; L338-G340 VanDerWaalsContact CG-O 3.3Å; L338-G340 WeakPolarHBondContact CG-O 3.39Å; G340-K714 WeakPolarHBondContact CA-O 3.48Å
341N77.2Confident89.1Confident18 Ų1823.5 Ų23.510%0.09613%0.13CC..THydrogen-bonded Turntrans-105.13.6175.5-72.2-29.7000113.6K315 S339 D536 F537 W740K315-N341 PolarHBondContact NZ-O 3.15Å; S339-N341 PolarHBondContact O-N 3.5Å; S339-N341 VanDerWaalsContact O-N 3.13Å; N341-D536 VanDerWaalsContact ND2-CB 3.33Å; N341-D536 WeakPolarHBondContact ND2-CB 3.47Å; N341-D536 PolarHBondContact ND2-OD2 3.32Å; N341-F537 WeakPolarHBondContact ND2-CE2 3.48Å; N341-F537 WeakPolarHBondContact OD1-CE2 3.36Å; N341-F537 WeakPolarHBondContact OD1-CZ 3.45Å; N341-W740 HydrophobicContact CB-CE3 4.22Å; N341-W740 HydrophobicContact CB-CZ3 4.39Å
342Q81.2Confident89.2Confident114 Ų11421.6 Ų21.653%0.53312%0.119SC..SBendtrans-114.5146-173.6-66.6-175.2-51.400111.4L338 S339L338-Q342 WeakPolarHBondContact CA-O 3.3Å; L338-Q342 WeakPolarHBondContact CB-O 3.29Å; L338-Q342 WeakPolarHBondContact CG-O 3.14Å; S339-Q342 PolarHBondContact O-N 3.38Å; S339-Q342 VanDerWaalsContact O-O 3.08Å
343S85.6Confident89.2Confident21 Ų2123.6 Ų23.615%0.14712%0.123CC..  trans-89.6127.5171.642.30000108.4K315 S337K315-S343 WeakPolarHBondContact CE-OG 3.41Å; S337-S343 CarbonylContact O-C 3.49Å; S337-S343 VanDerWaalsContact O-CA 3.3Å; S337-S343 WeakPolarHBondContact O-CA 3.08Å
344V89.1Confident88.9Confident9 Ų924 Ų246%0.05513%0.125CC..EExtended strand (participates in β ladder)trans-121.5157.4179.3-63.40000110.1V336 S337 S339 L346V336-V344 WeakPolarHBondContact CA-O 3.35Å; S337-V344 PolarHBondContact N-O 3.25Å; S337-V344 PolarHBondContact O-N 3.05Å; S339-V344 VanDerWaalsContact CB-CG2 3.49Å; V344-L346 HydrophobicContact CB-CD2 4.44Å; V344-L346 HydrophobicContact CG2-CD1 4.32Å; V344-L346 HydrophobicContact CG2-CD2 3.93Å; V344-L346 HydrophobicContact CG2-CG 4.05Å
345R92.4Very high88.7Confident21 Ų2124.4 Ų24.48%0.07913%0.127CC..EExtended strand (participates in β ladder)trans-109.3123176.6-54.8176-173.6174.13.8108.7E319 E326 G764 L766 E767E319-R345 IonicContact OE1-CZ 2.63Å; E319-R345 IonicContact OE1-NE 3.01Å; E319-R345 PolarHBondContact OE1-NE 3.4Å; E319-R345 IonicContact OE1-NH2 2.67Å; E319-R345 PolarHBondContact OE1-NH2 3.48Å; E326-R345 IonicContact OE1-NH2 3.71Å; E326-R345 IonicContact OE2-CZ 3.86Å; E326-R345 IonicContact OE2-NH1 2.77Å; E326-R345 PolarHBondContact OE2-NH1 2.92Å; E326-R345 IonicContact OE2-NH2 2.69Å; E326-R345 PolarHBondContact OE2-NH2 3.36Å; R345-G764 VanDerWaalsContact CD-O 3.29Å; R345-G764 WeakPolarHBondContact CD-O 3.5Å; R345-G764 PolarHBondContact NE-O 2.79Å; R345-G764 PolarHBondContact NH1-O 3.2Å; R345-L766 HydrophobicContact CB-CD1 4.23Å; R345-L766 CarbonylContact O-C 3.53Å; R345-L766 WeakPolarHBondContact O-CA 3.46Å; R345-E767 PolarHBondContact O-N 3.28Å
346L91.9Very high88.5Confident11 Ų1129.6 Ų29.66%0.05815%0.15CC..EExtended strand (participates in β ladder)trans-121143.6-175.6-54.4-179.3000110.7G171 C334 V335 V344 L348 E767 V769G171-L346 WeakPolarHBondContact O-CD1 3.45Å; C334-L346 CarbonylContact C-O 3.5Å; C334-L346 VanDerWaalsContact CA-O 3.23Å; C334-L346 WeakPolarHBondContact CA-O 3.23Å; V335-L346 PolarHBondContact N-O 3.45Å; V335-L346 PolarHBondContact O-N 2.85Å; V344-L346 HydrophobicContact CB-CD2 4.44Å; V344-L346 HydrophobicContact CG2-CD1 4.32Å; V344-L346 HydrophobicContact CG2-CD2 3.93Å; V344-L346 HydrophobicContact CG2-CG 4.05Å; L346-L348 PolarHBondContact O-N 2.9Å; L346-E767 HydrophobicContact CD2-CB 3.85Å; L346-E767 WeakPolarHBondContact CD2-O 3.46Å; L346-V769 HydrophobicContact CB-CG2 3.82Å; L346-V769 HydrophobicContact CD1-CG2 3.78Å; L346-V769 HydrophobicContact CD2-CG2 4Å; L346-V769 HydrophobicContact CG-CG2 4.07Å
347P92.4Very high88.4Confident7 Ų731.7 Ų31.75%0.04516%0.159CC..EExtended strand (participates in β ladder)trans-59.3120.9173.3-25.235000111.9M349 E350 C351 L766 E767P347-M349 VanDerWaalsContact C-N 3.28Å; P347-M349 PolarHBondContact O-N 2.89Å; P347-E350 HydrophobicContact CB-CB 4.28Å; P347-E350 HydrophobicContact CB-CG 3.92Å; P347-E350 HydrophobicContact CG-CG 4.47Å; P347-E350 PolarHBondContact O-N 3.01Å; P347-E350 VanDerWaalsContact O-N 3.09Å; P347-C351 PolarHBondContact O-N 2.81Å; P347-L766 HydrophobicContact CG-CD2 4.22Å; P347-L766 HydrophobicContact CG-CG 4.36Å; P347-E767 WeakPolarHBondContact CD-O 3.35Å
348L91.6Very high88.4Confident1 Ų131.7 Ų31.71%0.00516%0.159CC..Hα-helixtrans-54.9-43.8-172.5-176.7160000112.3L122 N126 I158 A333 V335 L346 E350 C351 V352L122-L348 HydrophobicContact CB-CD1 4.11Å; L122-L348 HydrophobicContact CB-CD2 4.49Å; L122-L348 HydrophobicContact CB-CG 4.36Å; N126-L348 HydrophobicContact CB-CD1 4.4Å; N126-L348 HydrophobicContact CB-CD2 3.86Å; I158-L348 HydrophobicContact CG2-CD1 4.31Å; A333-L348 HydrophobicContact CB-CB 4.21Å; A333-L348 HydrophobicContact CB-CD1 4.2Å; A333-L348 WeakPolarHBondContact O-CB 3.43Å; A333-L348 PolarHBondContact O-N 3.31Å; V335-L348 HydrophobicContact CG2-CB 3.81Å; V335-L348 HydrophobicContact CG2-CD1 4.04Å; V335-L348 HydrophobicContact CG2-CG 3.68Å; L346-L348 PolarHBondContact O-N 2.9Å; L348-E350 PolarHBondContact O-N 3.4Å; L348-C351 PolarHBondContact O-N 2.85Å; L348-V352 HydrophobicContact CD2-CG2 3.92Å; L348-V352 WeakPolarHBondContact O-CG2 3.19Å; L348-V352 PolarHBondContact O-N 3.08Å
349M89.4Confident88.4Confident79 Ų7934 Ų3439%0.38917%0.17SC..Hα-helixtrans-72.4-26-176.6-69.5-55.8-56.900113.6N126 P347 Q353N126-M349 HydrophobicContact CB-SD 4.05Å; N126-M349 VanDerWaalsContact ND2-CG 3.35Å; N126-M349 WeakPolarHBondContact ND2-CG 3.27Å; N126-M349 PolarHBondContact ND2-SD 3.41Å; P347-M349 VanDerWaalsContact C-N 3.28Å; P347-M349 PolarHBondContact O-N 2.89Å; M349-Q353 WeakPolarHBondContact O-CB 3.05Å; M349-Q353 PolarHBondContact O-N 2.82Å
350E90.6Very high88.8Confident55 Ų5538.9 Ų38.926%0.25719%0.188SC..Hα-helixtrans-68-49.4173.5-67.5174-168.700109.8P347 L348 V352 Q353 M354 H768 V769P347-E350 HydrophobicContact CB-CB 4.28Å; P347-E350 HydrophobicContact CB-CG 3.92Å; P347-E350 HydrophobicContact CG-CG 4.47Å; P347-E350 PolarHBondContact O-N 3.01Å; P347-E350 VanDerWaalsContact O-N 3.09Å; L348-E350 PolarHBondContact O-N 3.4Å; E350-V352 PolarHBondContact O-N 3.1Å; E350-Q353 PolarHBondContact O-N 3.11Å; E350-M354 WeakPolarHBondContact O-CG 3.45Å; E350-M354 PolarHBondContact O-N 3.2Å; E350-H768 IonicContact OE1-CE1 2.74Å; E350-H768 IonicContact OE1-CG 3.17Å; E350-H768 IonicContact OE1-ND1 2.79Å; E350-H768 PolarHBondContact OE1-ND1 3.47Å; E350-H768 WeakPolarHBondContact OE2-CA 3.2Å; E350-H768 IonicContact OE2-CG 3.16Å; E350-H768 IonicContact OE2-ND1 2.78Å; E350-H768 PolarHBondContact OE2-ND1 3.16Å; E350-V769 HydrophobicContact CB-CB 4.25Å; E350-V769 HydrophobicContact CB-CG2 4.5Å; E350-V769 PolarHBondContact OE2-N 2.88Å
351C89.8Confident89.4Confident0 Ų038.1 Ų38.10%018%0.18CC..Hα-helixtrans-56.9-46.6174.3-69.10000113.2F169 C170 P347 L348 M354 T355F169-C351 HydrophobicContact CD1-CB 4.33Å; F169-C351 HydrophobicContact CE1-CB 3.37Å; F169-C351 HydrophobicContact CE2-CB 4.38Å; F169-C351 HydrophobicContact CZ-CB 3.4Å; F169-C351 VanDerWaalsContact CZ-CB 3.4Å; C170-C351 VanDerWaalsContact O-CB 3.22Å; C170-C351 WeakPolarHBondContact O-CB 3.49Å; C170-C351 PolarHBondContact O-SG 3.21Å; P347-C351 PolarHBondContact O-N 2.81Å; L348-C351 PolarHBondContact O-N 2.85Å; C351-M354 PolarHBondContact O-N 3.39Å; C351-T355 WeakPolarHBondContact O-CB 3.29Å; C351-T355 PolarHBondContact O-N 2.9Å; C351-T355 PolarHBondContact O-OG1 2.79Å
352V88.9Confident90Very high3 Ų337.7 Ų37.72%0.01818%0.178CC..Hα-helixtrans-64.8-41.6178.4167.80000111.3F169 L348 E350 T355 K356F169-V352 HydrophobicContact CE2-CG2 3.98Å; F169-V352 HydrophobicContact CZ-CG2 4.37Å; L348-V352 HydrophobicContact CD2-CG2 3.92Å; L348-V352 WeakPolarHBondContact O-CG2 3.19Å; L348-V352 PolarHBondContact O-N 3.08Å; E350-V352 PolarHBondContact O-N 3.1Å; V352-T355 PolarHBondContact O-N 3.22Å; V352-K356 HydrophobicContact CG1-CD 4.45Å; V352-K356 WeakPolarHBondContact O-CG 3.33Å; V352-K356 PolarHBondContact O-N 3.14Å; V352-K356 VanDerWaalsContact O-N 3.11Å
353Q89Confident90.6Very high96 Ų9637.3 Ų37.345%0.44918%0.18SC..Hα-helixtrans-64.1-44.4178.217853.534.400111.3M349 E350 T355 K356 E357M349-Q353 WeakPolarHBondContact O-CB 3.05Å; M349-Q353 PolarHBondContact O-N 2.82Å; E350-Q353 PolarHBondContact O-N 3.11Å; Q353-T355 VanDerWaalsContact C-N 3.33Å; Q353-T355 PolarHBondContact O-N 3.4Å; Q353-K356 WeakPolarHBondContact O-CB 3.5Å; Q353-K356 PolarHBondContact O-N 2.77Å; Q353-K356 VanDerWaalsContact O-N 3.17Å; Q353-E357 PolarHBondContact NE2-OE1 2.92Å; Q353-E357 PolarHBondContact O-N 3.05Å
354M87.8Confident91Very high11 Ų1140.3 Ų40.35%0.05419%0.194CC..Hα-helixtrans-66.2-35.3177.5-68.5176.160.500112.3C170 E350 C351 K356 E357 V358 V769 L774C170-M354 HydrophobicContact CB-CB 3.92Å; E350-M354 WeakPolarHBondContact O-CG 3.45Å; E350-M354 PolarHBondContact O-N 3.2Å; C351-M354 PolarHBondContact O-N 3.39Å; M354-K356 VanDerWaalsContact C-N 3.31Å; M354-K356 PolarHBondContact O-N 3.42Å; M354-E357 WeakPolarHBondContact O-CB 3.37Å; M354-E357 PolarHBondContact O-N 3.37Å; M354-E357 VanDerWaalsContact O-N 3.13Å; M354-V358 PolarHBondContact O-N 2.79Å; M354-V769 HydrophobicContact CE-CG1 3.78Å; M354-V769 HydrophobicContact SD-CB 3.89Å; M354-V769 HydrophobicContact SD-CG1 3.5Å; M354-V769 VanDerWaalsContact SD-CG1 3.5Å; M354-L774 HydrophobicContact CE-CD1 3.25Å; M354-L774 HydrophobicContact CE-CG 3.68Å
355T89Confident91.2Very high17 Ų1745.1 Ų45.110%0.10421%0.214CC..Hα-helixtrans-61.4-39.3172.7-56.20000111.8D168 C170 C351 V352 Q353 V358D168-T355 WeakPolarHBondContact O-CG2 3.48Å; C170-T355 PolarHBondContact N-OG1 2.74Å; C351-T355 WeakPolarHBondContact O-CB 3.29Å; C351-T355 PolarHBondContact O-N 2.9Å; C351-T355 PolarHBondContact O-OG1 2.79Å; V352-T355 PolarHBondContact O-N 3.22Å; Q353-T355 VanDerWaalsContact C-N 3.33Å; Q353-T355 PolarHBondContact O-N 3.4Å; T355-V358 PolarHBondContact O-N 3.06Å
356K90.3Very high91.3Very high109 Ų10948.1 Ų48.147%0.47423%0.226SC..Hα-helixtrans-69.4-31.4173.5-68.1172.2-177.4176.30112.9V352 Q353 M354 V358 Q359 K360V352-K356 HydrophobicContact CG1-CD 4.45Å; V352-K356 WeakPolarHBondContact O-CG 3.33Å; V352-K356 PolarHBondContact O-N 3.14Å; V352-K356 VanDerWaalsContact O-N 3.11Å; Q353-K356 WeakPolarHBondContact O-CB 3.5Å; Q353-K356 PolarHBondContact O-N 2.77Å; Q353-K356 VanDerWaalsContact O-N 3.17Å; M354-K356 VanDerWaalsContact C-N 3.31Å; M354-K356 PolarHBondContact O-N 3.42Å; K356-V358 VanDerWaalsContact C-N 3.33Å; K356-Q359 PolarHBondContact O-N 2.71Å; K356-K360 PolarHBondContact O-N 3.42Å
357E91.8Very high91.4Very high43 Ų4349 Ų4920%0.20123%0.229CC..Hα-helixtrans-65.3-33.9174.5-74.5177.8-150.200112.7Q353 M354 K360 A361 L373 R771Q353-E357 PolarHBondContact NE2-OE1 2.92Å; Q353-E357 PolarHBondContact O-N 3.05Å; M354-E357 WeakPolarHBondContact O-CB 3.37Å; M354-E357 PolarHBondContact O-N 3.37Å; M354-E357 VanDerWaalsContact O-N 3.13Å; E357-K360 PolarHBondContact O-N 3.05Å; E357-A361 WeakPolarHBondContact O-CB 3.44Å; E357-A361 PolarHBondContact O-N 3.49Å; E357-L373 HydrophobicContact CB-CD1 4.23Å; E357-R771 IonicContact OE2-CZ 3.23Å; E357-R771 VanDerWaalsContact OE2-CZ 3.31Å; E357-R771 IonicContact OE2-NE 2.67Å; E357-R771 PolarHBondContact OE2-NE 2.92Å; E357-R771 VanDerWaalsContact OE2-NE 3.07Å; E357-R771 IonicContact OE2-NH2 3.94Å; E357-R771 PolarHBondContact OE2-NH2 3.06Å
358V90.9Very high91.4Very high1 Ų154.6 Ų54.61%0.00626%0.259CS..Hα-helixtrans-60.8-50.3172.1-178.10000110.7M354 T355 K356 K360 A361 M362 A370 L373 R374M354-V358 PolarHBondContact O-N 2.79Å; T355-V358 PolarHBondContact O-N 3.06Å; K356-V358 VanDerWaalsContact C-N 3.33Å; V358-K360 PolarHBondContact O-N 3.46Å; V358-A361 WeakPolarHBondContact O-CB 3.47Å; V358-A361 PolarHBondContact O-N 2.95Å; V358-A361 VanDerWaalsContact O-N 3.14Å; V358-M362 HydrophobicContact CG1-CE 4.3Å; V358-M362 PolarHBondContact O-N 2.69Å; V358-A370 HydrophobicContact CG1-CB 4.4Å; V358-L373 HydrophobicContact CG2-CB 3.61Å; V358-R374 HydrophobicContact CG1-CG 4.41Å
359Q90.2Very high91.4Very high61 Ų6157 Ų5729%0.28527%0.27SS..Hα-helixtrans-60.1-47.4179.3-173.460.752.300111K356 A361 M362 D363K356-Q359 PolarHBondContact O-N 2.71Å; Q359-A361 VanDerWaalsContact C-N 3.27Å; Q359-A361 PolarHBondContact O-N 3.2Å; Q359-M362 PolarHBondContact O-N 3.28Å; Q359-D363 PolarHBondContact NE2-OD1 3.18Å; Q359-D363 PolarHBondContact O-N 3.36Å
360K93.8Very high91.6Very high123 Ų12353.2 Ų53.254%0.53525%0.251SS..Hα-helixtrans-58.4-38175.6-175.4178.9177.2-176.80112.5K356 E357 V358 D363 D364K356-K360 PolarHBondContact O-N 3.42Å; E357-K360 PolarHBondContact O-N 3.05Å; V358-K360 PolarHBondContact O-N 3.46Å; K360-D363 PolarHBondContact O-N 3.09Å; K360-D364 WeakPolarHBondContact CE-OD2 3.3Å; K360-D364 VanDerWaalsContact O-CB 3.24Å; K360-D364 WeakPolarHBondContact O-CB 3.46Å; K360-D364 PolarHBondContact O-N 2.91Å
361A93.9Very high91.6Very high0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-65.3-38.3175.500000112.3E357 V358 Q359 K365 R366 A370 L373E357-A361 WeakPolarHBondContact O-CB 3.44Å; E357-A361 PolarHBondContact O-N 3.49Å; V358-A361 WeakPolarHBondContact O-CB 3.47Å; V358-A361 PolarHBondContact O-N 2.95Å; V358-A361 VanDerWaalsContact O-N 3.14Å; Q359-A361 VanDerWaalsContact C-N 3.27Å; Q359-A361 PolarHBondContact O-N 3.2Å; A361-K365 PolarHBondContact O-N 2.91Å; A361-R366 HydrophobicContact CB-CB 4.35Å; A361-R366 CarbonylContact O-C 3.42Å; A361-R366 WeakPolarHBondContact O-CA 3.45Å; A361-R366 WeakPolarHBondContact O-CB 3.32Å; A361-R366 PolarHBondContact O-N 2.81Å; A361-A370 HydrophobicContact CB-CB 4.03Å; A361-L373 HydrophobicContact CB-CD1 4.19Å
362M91.4Very high91.6Very high10 Ų1056.1 Ų56.15%0.04927%0.265CS..Hα-helixtrans-67.9-43.8173.8-63.9-173.3-62.500112H211 P231 E232 V358 Q359 D364 K365 A370H211-M362 HydrophobicContact CB-CE 4.25Å; P231-M362 HydrophobicContact CB-SD 4.12Å; E232-M362 HydrophobicContact CG-SD 4.16Å; V358-M362 HydrophobicContact CG1-CE 4.3Å; V358-M362 PolarHBondContact O-N 2.69Å; Q359-M362 PolarHBondContact O-N 3.28Å; M362-D364 PolarHBondContact O-N 3.44Å; M362-K365 WeakPolarHBondContact O-CA 3.43Å; M362-K365 PolarHBondContact O-N 2.86Å; M362-A370 HydrophobicContact CG-CB 3.66Å
363D92Very high91.6Very high105 Ų10556.4 Ų56.456%0.56127%0.266SS*.Hα-helixtrans-62.7-42.1178.4-59.3-21.5000111.6Q359 K360 K365Q359-D363 PolarHBondContact NE2-OD1 3.18Å; Q359-D363 PolarHBondContact O-N 3.36Å; K360-D363 PolarHBondContact O-N 3.09Å; D363-K365 PolarHBondContact O-N 2.84Å
364D94.6Very high91.5Very high84 Ų8453.7 Ų53.745%0.44925%0.252SS..THydrogen-bonded Turntrans-74.33.5174.4-67.8-23.3000113.2K360 M362 R366K360-D364 WeakPolarHBondContact CE-OD2 3.3Å; K360-D364 VanDerWaalsContact O-CB 3.24Å; K360-D364 WeakPolarHBondContact O-CB 3.46Å; K360-D364 PolarHBondContact O-N 2.91Å; M362-D364 PolarHBondContact O-N 3.44Å; D364-R366 HydrophobicContact CB-CG 4.22Å; D364-R366 PolarHBondContact O-N 2.89Å; D364-R366 IonicContact OD2-CZ 2.72Å; D364-R366 IonicContact OD2-NE 3.95Å; D364-R366 PolarHBondContact OD2-NE 2.85Å; D364-R366 IonicContact OD2-NH2 3.19Å; D364-R366 PolarHBondContact OD2-NH2 2.79Å
365K94.3Very high91.3Very high111 Ų11153.7 Ų53.748%0.48325%0.254SS..THydrogen-bonded Turntrans60.321.5-176.6-51.4-173.1179-162.30115.6R269 A361 M362 D363 F367R269-K365 WeakPolarHBondContact O-CE 3.34Å; R269-K365 PolarHBondContact O-NZ 3.1Å; A361-K365 PolarHBondContact O-N 2.91Å; M362-K365 WeakPolarHBondContact O-CA 3.43Å; M362-K365 PolarHBondContact O-N 2.86Å; D363-K365 PolarHBondContact O-N 2.84Å; K365-F367 VanDerWaalsContact C-N 3.26Å; K365-F367 HydrophobicContact CB-CE2 3.8Å; K365-F367 HydrophobicContact CB-CZ 3.98Å; K365-F367 HydrophobicContact CG-CE2 4.35Å; K365-F367 HydrophobicContact CG-CZ 4.17Å; K365-F367 WeakPolarHBondContact O-CD2 3.37Å; K365-F367 PolarHBondContact O-N 2.75Å; K365-F367 VanDerWaalsContact O-N 3.13Å
366R94.4Very high91Very high83 Ų8353.4 Ų53.431%0.31326%0.255SS..  trans-85.858.5175.4-64.3-179.2-73.81103.6110.9A361 D364 D368 E369 A370A361-R366 HydrophobicContact CB-CB 4.35Å; A361-R366 CarbonylContact O-C 3.42Å; A361-R366 WeakPolarHBondContact O-CA 3.45Å; A361-R366 WeakPolarHBondContact O-CB 3.32Å; A361-R366 PolarHBondContact O-N 2.81Å; D364-R366 HydrophobicContact CB-CG 4.22Å; D364-R366 PolarHBondContact O-N 2.89Å; D364-R366 IonicContact OD2-CZ 2.72Å; D364-R366 IonicContact OD2-NE 3.95Å; D364-R366 PolarHBondContact OD2-NE 2.85Å; D364-R366 IonicContact OD2-NH2 3.19Å; D364-R366 PolarHBondContact OD2-NH2 2.79Å; R366-D368 PolarHBondContact O-N 3.28Å; R366-E369 HydrophobicContact CB-CB 4.25Å; R366-E369 IonicContact CZ-OE2 3.38Å; R366-E369 IonicContact NH1-OE1 2.69Å; R366-E369 PolarHBondContact NH1-OE1 3.45Å; R366-E369 VanDerWaalsContact NH1-OE1 3.09Å; R366-E369 IonicContact NH1-OE2 3.45Å; R366-E369 PolarHBondContact NH1-OE2 3.28Å; R366-E369 WeakPolarHBondContact O-CB 3.46Å; R366-E369 PolarHBondContact O-N 3.31Å; R366-E369 VanDerWaalsContact O-N 3.09Å; R366-A370 PolarHBondContact O-N 2.89Å
367F93.8Very high90.7Very high29 Ų2950 Ų5013%0.12725%0.245CC..Hα-helixtrans-60.6-38.7-170.6-58.6-61.2000114.5P234 I267 K365 E369 A370 I371P234-F367 HydrophobicContact CG-CD1 3.8Å; P234-F367 HydrophobicContact CG-CD2 4.32Å; P234-F367 HydrophobicContact CG-CE1 3.54Å; P234-F367 HydrophobicContact CG-CE2 4.07Å; P234-F367 HydrophobicContact CG-CG 4.2Å; P234-F367 HydrophobicContact CG-CZ 3.69Å; I267-F367 HydrophobicContact CD1-CE1 4.49Å; K365-F367 VanDerWaalsContact C-N 3.26Å; K365-F367 HydrophobicContact CB-CE2 3.8Å; K365-F367 HydrophobicContact CB-CZ 3.98Å; K365-F367 HydrophobicContact CG-CE2 4.35Å; K365-F367 HydrophobicContact CG-CZ 4.17Å; K365-F367 WeakPolarHBondContact O-CD2 3.37Å; K365-F367 PolarHBondContact O-N 2.75Å; K365-F367 VanDerWaalsContact O-N 3.13Å; F367-E369 VanDerWaalsContact C-N 3.31Å; F367-E369 PolarHBondContact O-N 3.03Å; F367-A370 WeakPolarHBondContact O-CB 3.45Å; F367-A370 PolarHBondContact O-N 3.43Å; F367-A370 VanDerWaalsContact O-N 3.14Å; F367-I371 WeakPolarHBondContact O-CG1 3.39Å; F367-I371 PolarHBondContact O-N 3.27Å
368D91.7Very high90.7Very high125 Ų12548.1 Ų48.167%0.66824%0.236SC*.Hα-helixtrans-63.6-35.7175.7-66.2-47.8000112.2R366 Q372R366-D368 PolarHBondContact O-N 3.28Å; D368-Q372 WeakPolarHBondContact O-CG 3.35Å; D368-Q372 PolarHBondContact O-N 2.95Å; D368-Q372 VanDerWaalsContact O-N 3.15Å
369E92.1Very high90.7Very high52 Ų5251.5 Ų51.524%0.24325%0.252CS..Hα-helixtrans-70.6-36.9173.3-169.7179157.800111R366 F367 I371 Q372 L373 R771R366-E369 HydrophobicContact CB-CB 4.25Å; R366-E369 IonicContact CZ-OE2 3.38Å; R366-E369 IonicContact NH1-OE1 2.69Å; R366-E369 PolarHBondContact NH1-OE1 3.45Å; R366-E369 VanDerWaalsContact NH1-OE1 3.09Å; R366-E369 IonicContact NH1-OE2 3.45Å; R366-E369 PolarHBondContact NH1-OE2 3.28Å; R366-E369 WeakPolarHBondContact O-CB 3.46Å; R366-E369 PolarHBondContact O-N 3.31Å; R366-E369 VanDerWaalsContact O-N 3.09Å; F367-E369 VanDerWaalsContact C-N 3.31Å; F367-E369 PolarHBondContact O-N 3.03Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.41Å; E369-Q372 PolarHBondContact O-N 3.36Å; E369-L373 HydrophobicContact CG-CD1 4.01Å; E369-L373 HydrophobicContact CG-CG 4.27Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.26Å; E369-L373 WeakPolarHBondContact O-CG 3.25Å; E369-L373 PolarHBondContact O-N 3.31Å; E369-R771 IonicContact OE1-CZ 3.29Å; E369-R771 IonicContact OE1-NH1 3.14Å; E369-R771 PolarHBondContact OE1-NH1 3.06Å; E369-R771 IonicContact OE1-NH2 3.37Å; E369-R771 PolarHBondContact OE1-NH2 3.34Å
370A92.4Very high90.6Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-60.6-42.1174.500000112V358 A361 M362 R366 F367 L373 R374V358-A370 HydrophobicContact CG1-CB 4.4Å; A361-A370 HydrophobicContact CB-CB 4.03Å; M362-A370 HydrophobicContact CG-CB 3.66Å; R366-A370 PolarHBondContact O-N 2.89Å; F367-A370 WeakPolarHBondContact O-CB 3.45Å; F367-A370 PolarHBondContact O-N 3.43Å; F367-A370 VanDerWaalsContact O-N 3.14Å; A370-L373 PolarHBondContact O-N 2.79Å; A370-R374 WeakPolarHBondContact O-CG 3.2Å; A370-R374 PolarHBondContact O-N 2.72Å; A370-R374 VanDerWaalsContact O-N 3.07Å
371I92.3Very high90.6Very high7 Ų743.9 Ų43.94%0.03622%0.219CC..Hα-helixtrans-61.5-44.2173.7-68.2164.7000111.2E232 A233 F367 E369 R374 F378 E379E232-I371 HydrophobicContact CB-CG1 3.93Å; E232-I371 WeakPolarHBondContact O-CD1 3.29Å; E232-I371 WeakPolarHBondContact O-CG1 3.18Å; A233-I371 HydrophobicContact CB-CD1 4.25Å; F367-I371 WeakPolarHBondContact O-CG1 3.39Å; F367-I371 PolarHBondContact O-N 3.27Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.41Å; I371-R374 WeakPolarHBondContact O-CB 2.97Å; I371-R374 PolarHBondContact O-N 3.43Å; I371-F378 HydrophobicContact CG1-CE1 4.48Å; I371-F378 HydrophobicContact CG2-CD1 4.3Å; I371-E379 HydrophobicContact CG2-CB 3.86Å; I371-E379 HydrophobicContact CG2-CG 4Å
372Q89.9Confident90.6Very high109 Ų10945.8 Ų45.851%0.50923%0.226SC..Hα-helixtrans-66.1-37.8178.4-71.1172.47.500112.3D368 E369 R374 G375D368-Q372 WeakPolarHBondContact O-CG 3.35Å; D368-Q372 PolarHBondContact O-N 2.95Å; D368-Q372 VanDerWaalsContact O-N 3.15Å; E369-Q372 PolarHBondContact O-N 3.36Å; Q372-R374 VanDerWaalsContact C-N 3.31Å; Q372-R374 PolarHBondContact O-N 3.44Å; Q372-G375 WeakPolarHBondContact O-CA 3.25Å; Q372-G375 PolarHBondContact O-N 3.2Å
373L88Confident90.6Very high9 Ų948.3 Ų48.35%0.04724%0.24CC..Hα-helixtrans-70.6-23.5176.6-69.5169.8000112.9E357 V358 A361 E369 A370 G375 R771 L774E357-L373 HydrophobicContact CB-CD1 4.23Å; V358-L373 HydrophobicContact CG2-CB 3.61Å; A361-L373 HydrophobicContact CB-CD1 4.19Å; E369-L373 HydrophobicContact CG-CD1 4.01Å; E369-L373 HydrophobicContact CG-CG 4.27Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.26Å; E369-L373 WeakPolarHBondContact O-CG 3.25Å; E369-L373 PolarHBondContact O-N 3.31Å; A370-L373 PolarHBondContact O-N 2.79Å; L373-G375 PolarHBondContact O-N 3.08Å; L373-R771 HydrophobicContact CD2-CG 4.4Å; L373-L774 WeakPolarHBondContact O-CD1 3.45Å
374R86.9Confident90.6Very high39 Ų3943.6 Ų43.615%0.14721%0.214CC..THydrogen-bonded Turntrans-70.1-11.2165.9-68.7-70.2-169.6-146.6-4.3113.3D168 H211 C212 E232 V358 A370 I371 Q372 F378D168-R374 PolarHBondContact O-NH1 3.09Å; H211-R374 PolarHBondContact O-NH2 2.86Å; C212-R374 VanDerWaalsContact SG-CZ 3.54Å; C212-R374 PolarHBondContact SG-NE 3.28Å; C212-R374 VanDerWaalsContact SG-NE 3.43Å; E232-R374 HydrophobicContact CG-CG 4.14Å; E232-R374 IonicContact OE1-CZ 3.1Å; E232-R374 IonicContact OE1-NE 2.79Å; E232-R374 PolarHBondContact OE1-NE 2.76Å; E232-R374 IonicContact OE1-NH2 3.4Å; E232-R374 PolarHBondContact OE1-NH2 3.24Å; V358-R374 HydrophobicContact CG1-CG 4.41Å; A370-R374 WeakPolarHBondContact O-CG 3.2Å; A370-R374 PolarHBondContact O-N 2.72Å; A370-R374 VanDerWaalsContact O-N 3.07Å; I371-R374 WeakPolarHBondContact O-CB 2.97Å; I371-R374 PolarHBondContact O-N 3.43Å; Q372-R374 VanDerWaalsContact C-N 3.31Å; Q372-R374 PolarHBondContact O-N 3.44Å; R374-F378 HydrophobicContact CB-CB 3.64Å; R374-F378 HydrophobicContact CB-CD1 4.13Å; R374-F378 HydrophobicContact CB-CD2 3.82Å; R374-F378 HydrophobicContact CB-CG 3.61Å; R374-F378 HydrophobicContact CG-CD1 4.48Å; R374-F378 HydrophobicContact CG-CD2 4.01Å; R374-F378 HydrophobicContact CG-CE2 4.27Å; R374-F378 HydrophobicContact CG-CG 4.16Å
375G84.8Confident90.5Very high10 Ų1040 Ų4010%0.10320%0.195CC..  trans89161.8175.600000115Q372 L373 S377 F378 E379Q372-G375 WeakPolarHBondContact O-CA 3.25Å; Q372-G375 PolarHBondContact O-N 3.2Å; L373-G375 PolarHBondContact O-N 3.08Å; G375-S377 PolarHBondContact O-N 3.48Å; G375-S377 VanDerWaalsContact O-N 3.1Å; G375-F378 WeakPolarHBondContact O-CB 3.22Å; G375-F378 PolarHBondContact O-N 3.46Å; G375-E379 PolarHBondContact O-N 3.06Å
376G82.1Confident90.2Very high11 Ų1138.4 Ų38.411%0.11319%0.188CC..Hα-helixtrans-57.4-29.6-170.600000115.3E379 N380G376-E379 PolarHBondContact O-N 3.4Å; G376-N380 VanDerWaalsContact O-CB 3.25Å; G376-N380 WeakPolarHBondContact O-CB 3.45Å; G376-N380 PolarHBondContact O-N 2.92Å; G376-N380 PolarHBondContact O-ND2 3.31Å; G376-N380 VanDerWaalsContact O-ND2 3.11Å
377S84.1Confident89.9Confident37 Ų3737 Ų3726%0.25919%0.186SC..Hα-helixtrans-64.1-40.2175.2-173.10000112.4G375 N381G375-S377 PolarHBondContact O-N 3.48Å; G375-S377 VanDerWaalsContact O-N 3.1Å; S377-N381 PolarHBondContact O-N 3.47Å; S377-N381 PolarHBondContact O-ND2 3.41Å; S377-N381 PolarHBondContact O-OD1 3.28Å
378F90.6Very high89.5Confident5 Ų536.2 Ų36.22%0.02218%0.183CC..Hα-helixtrans-69.4-48.4176.3-168.9-71.4000110.6Y214 L217 I230 E232 I371 R374 G375 N380 N381 W382Y214-F378 AromaticContact CD2-CD2 3.99Å; Y214-F378 HydrophobicContact CD2-CD2 3.99Å; L217-F378 HydrophobicContact CD2-CD1 4.12Å; L217-F378 HydrophobicContact CD2-CE1 3.84Å; L217-F378 HydrophobicContact CD2-CE2 4.28Å; L217-F378 HydrophobicContact CD2-CG 4.44Å; L217-F378 HydrophobicContact CD2-CZ 3.91Å; I230-F378 HydrophobicContact CD1-CE1 4.27Å; I230-F378 HydrophobicContact CD1-CZ 4.19Å; E232-F378 HydrophobicContact CB-CE1 4.05Å; E232-F378 HydrophobicContact CB-CZ 4.03Å; E232-F378 VanDerWaalsContact CD-CZ 3.44Å; E232-F378 HydrophobicContact CG-CE1 4.25Å; E232-F378 HydrophobicContact CG-CZ 3.89Å; I371-F378 HydrophobicContact CG1-CE1 4.48Å; I371-F378 HydrophobicContact CG2-CD1 4.3Å; R374-F378 HydrophobicContact CB-CB 3.64Å; R374-F378 HydrophobicContact CB-CD1 4.13Å; R374-F378 HydrophobicContact CB-CD2 3.82Å; R374-F378 HydrophobicContact CB-CG 3.61Å; R374-F378 HydrophobicContact CG-CD1 4.48Å; R374-F378 HydrophobicContact CG-CD2 4.01Å; R374-F378 HydrophobicContact CG-CE2 4.27Å; R374-F378 HydrophobicContact CG-CG 4.16Å; G375-F378 WeakPolarHBondContact O-CB 3.22Å; G375-F378 PolarHBondContact O-N 3.46Å; F378-N380 VanDerWaalsContact C-N 3.3Å; F378-N380 PolarHBondContact O-N 2.84Å; F378-N381 WeakPolarHBondContact O-CB 3.32Å; F378-N381 PolarHBondContact O-N 2.93Å; F378-W382 PolarHBondContact O-N 2.97Å
379E91.2Very high88.8Confident72 Ų7231.2 Ų31.234%0.33616%0.159SC..Hα-helixtrans-57.6-43.5177.5-176179.3-173.700111.6I371 G375 G376 W382 N383I371-E379 HydrophobicContact CG2-CB 3.86Å; I371-E379 HydrophobicContact CG2-CG 4Å; G375-E379 PolarHBondContact O-N 3.06Å; G376-E379 PolarHBondContact O-N 3.4Å; E379-W382 WeakPolarHBondContact O-CB 3.38Å; E379-W382 PolarHBondContact O-N 2.99Å; E379-N383 WeakPolarHBondContact O-CB 3.42Å; E379-N383 PolarHBondContact O-N 3Å; E379-N383 PolarHBondContact O-ND2 2.81Å
380N89.2Confident87.7Confident24 Ų2431.5 Ų31.513%0.12816%0.16CC..Hα-helixtrans-65.8-40.8176.2-88.1-58.3000112.9G376 F378 W382 N383 I384 K681 G779 F780G376-N380 VanDerWaalsContact O-CB 3.25Å; G376-N380 WeakPolarHBondContact O-CB 3.45Å; G376-N380 PolarHBondContact O-N 2.92Å; G376-N380 PolarHBondContact O-ND2 3.31Å; G376-N380 VanDerWaalsContact O-ND2 3.11Å; F378-N380 VanDerWaalsContact C-N 3.3Å; F378-N380 PolarHBondContact O-N 2.84Å; N380-W382 VanDerWaalsContact C-N 3.29Å; N380-W382 PolarHBondContact O-N 2.91Å; N380-N383 PolarHBondContact O-N 3.25Å; N380-I384 WeakPolarHBondContact O-CB 3.49Å; N380-I384 VanDerWaalsContact O-CG1 3.24Å; N380-I384 WeakPolarHBondContact O-CG1 3.27Å; N380-I384 PolarHBondContact O-N 3.02Å; N380-K681 PolarHBondContact OD1-NZ 2.86Å; N380-G779 PolarHBondContact ND2-O 3.37Å; N380-F780 HydrophobicContact CB-CB 3.86Å; N380-F780 PolarHBondContact ND2-O 3.03Å; N380-F780 PolarHBondContact OD1-O 3.21Å
381N92.7Very high86.5Confident0 Ų034.6 Ų34.60%018%0.175CC..Hα-helixtrans-56.4-46.4171.4-70.9-19.7000110.6L217 L221 S377 F378 I384 Y385 K677L217-N381 HydrophobicContact CD1-CB 4.4Å; L217-N381 HydrophobicContact CD2-CB 3.63Å; L217-N381 HydrophobicContact CG-CB 3.87Å; L221-N381 HydrophobicContact CD1-CB 3.85Å; S377-N381 PolarHBondContact O-N 3.47Å; S377-N381 PolarHBondContact O-ND2 3.41Å; S377-N381 PolarHBondContact O-OD1 3.28Å; F378-N381 WeakPolarHBondContact O-CB 3.32Å; F378-N381 PolarHBondContact O-N 2.93Å; N381-I384 PolarHBondContact O-N 2.87Å; N381-Y385 WeakPolarHBondContact O-CB 3.36Å; N381-Y385 PolarHBondContact O-N 3.24Å; N381-K677 WeakPolarHBondContact OD1-CE 3.46Å; N381-K677 PolarHBondContact OD1-NZ 2.9Å
382W93.8Very high85.3Confident39 Ų3941.3 Ų41.315%0.14820%0.204CC..Hα-helixtrans-64.7-43.4-179.7177.7-131.9000112.6L217 L228 I230 A233 F378 E379 N380 Y385 K386L217-W382 HydrophobicContact CD1-CE3 4.21Å; L217-W382 HydrophobicContact CD2-CB 4.25Å; L228-W382 HydrophobicContact CD2-CZ3 4.38Å; I230-W382 HydrophobicContact CD1-CD2 4.45Å; I230-W382 HydrophobicContact CD1-CE3 3.96Å; I230-W382 HydrophobicContact CD1-CZ3 4.1Å; A233-W382 HydrophobicContact CB-CD2 4.37Å; A233-W382 HydrophobicContact CB-CH2 3.72Å; A233-W382 HydrophobicContact CB-CZ2 3.33Å; A233-W382 HydrophobicContact CB-CZ3 4.37Å; F378-W382 PolarHBondContact O-N 2.97Å; E379-W382 WeakPolarHBondContact O-CB 3.38Å; E379-W382 PolarHBondContact O-N 2.99Å; N380-W382 VanDerWaalsContact C-N 3.29Å; N380-W382 PolarHBondContact O-N 2.91Å; W382-Y385 AromaticContact CE3-CD1 3.92Å; W382-Y385 HydrophobicContact CE3-CD1 3.92Å; W382-Y385 AromaticContact CZ3-CD1 3.6Å; W382-Y385 HydrophobicContact CZ3-CD1 3.6Å; W382-Y385 HydrophobicContact CZ3-CE1 4.07Å; W382-Y385 PolarHBondContact O-N 3.49Å; W382-K386 VanDerWaalsContact CD1-NZ 3.3Å; W382-K386 HydrophobicContact CD2-CD 4.18Å; W382-K386 HydrophobicContact CD2-CG 4.22Å; W382-K386 HydrophobicContact CE3-CG 4.45Å; W382-K386 HydrophobicContact CH2-CG 4.31Å; W382-K386 HydrophobicContact CZ2-CD 3.83Å; W382-K386 HydrophobicContact CZ2-CG 4.06Å; W382-K386 WeakPolarHBondContact O-CE 3.34Å; W382-K386 WeakPolarHBondContact O-CG 3.49Å; W382-K386 PolarHBondContact O-N 2.91Å
383N91.8Very high83.9Confident63 Ų6341.2 Ų41.234%0.33721%0.213SC..Hα-helixtrans-65.5-40.4176.9-73.2-29.5000112.3E379 N380 K386 L387E379-N383 WeakPolarHBondContact O-CB 3.42Å; E379-N383 PolarHBondContact O-N 3Å; E379-N383 PolarHBondContact O-ND2 2.81Å; N380-N383 PolarHBondContact O-N 3.25Å; N383-K386 PolarHBondContact O-N 3.25Å; N383-K386 WeakPolarHBondContact OD1-CE 3.39Å; N383-K386 PolarHBondContact OD1-NZ 2.71Å; N383-L387 PolarHBondContact O-N 3.16Å; N383-L387 VanDerWaalsContact O-N 3.08Å
384I92.1Very high82.9Confident6 Ų643.3 Ų43.33%0.03123%0.227CC..Hα-helixtrans-67.3-39.8174.6-69.9168.8000111.2L221 N380 N381 L387 L388 T676 K677 V680L221-I384 HydrophobicContact CD2-CG2 3.87Å; N380-I384 WeakPolarHBondContact O-CB 3.49Å; N380-I384 VanDerWaalsContact O-CG1 3.24Å; N380-I384 WeakPolarHBondContact O-CG1 3.27Å; N380-I384 PolarHBondContact O-N 3.02Å; N381-I384 PolarHBondContact O-N 2.87Å; I384-L387 PolarHBondContact O-N 3.03Å; I384-L388 HydrophobicContact CG2-CD1 3.83Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CG 3.3Å; I384-L388 PolarHBondContact O-N 3.48Å; I384-T676 HydrophobicContact CG2-CG2 4.37Å; I384-K677 HydrophobicContact CD1-CB 4.06Å; I384-K677 HydrophobicContact CD1-CG 3.81Å; I384-V680 HydrophobicContact CG1-CG1 4.39Å; I384-V680 HydrophobicContact CG2-CG2 4.13Å
385Y92.6Very high81.7Confident10 Ų1051.8 Ų51.84%0.03927%0.265CS..Hα-helixtrans-60.9-50.7174.7176.1-99000111.1L217 A220 L221 W227 L228 N381 W382 L387 L388 A389L217-Y385 HydrophobicContact CD1-CG 4.2Å; A220-Y385 HydrophobicContact CB-CD2 4.08Å; A220-Y385 HydrophobicContact CB-CE2 3.92Å; L221-Y385 HydrophobicContact CD2-CD2 4.42Å; W227-Y385 VanDerWaalsContact C-OH 3.29Å; W227-Y385 VanDerWaalsContact CA-OH 3.25Å; W227-Y385 WeakPolarHBondContact CA-OH 3.3Å; L228-Y385 HydrophobicContact CB-CE1 3.74Å; L228-Y385 HydrophobicContact CB-CE2 4.04Å; L228-Y385 VanDerWaalsContact CB-CZ 3.48Å; L228-Y385 HydrophobicContact CD2-CD1 4.08Å; L228-Y385 HydrophobicContact CD2-CD2 4.39Å; L228-Y385 HydrophobicContact CD2-CE1 4.12Å; L228-Y385 HydrophobicContact CD2-CE2 4.44Å; L228-Y385 HydrophobicContact CD2-CG 4.24Å; L228-Y385 PolarHBondContact N-OH 2.68Å; L228-Y385 VanDerWaalsContact N-OH 3.13Å; N381-Y385 WeakPolarHBondContact O-CB 3.36Å; N381-Y385 PolarHBondContact O-N 3.24Å; W382-Y385 AromaticContact CE3-CD1 3.92Å; W382-Y385 HydrophobicContact CE3-CD1 3.92Å; W382-Y385 AromaticContact CZ3-CD1 3.6Å; W382-Y385 HydrophobicContact CZ3-CD1 3.6Å; W382-Y385 HydrophobicContact CZ3-CE1 4.07Å; W382-Y385 PolarHBondContact O-N 3.49Å; Y385-L387 PolarHBondContact O-N 2.94Å; Y385-L388 PolarHBondContact O-N 2.82Å; Y385-L388 VanDerWaalsContact O-N 3.16Å; Y385-A389 HydrophobicContact CD1-CB 4.48Å; Y385-A389 HydrophobicContact CD2-CB 4.31Å; Y385-A389 HydrophobicContact CE1-CB 3.99Å; Y385-A389 HydrophobicContact CE2-CB 3.79Å; Y385-A389 WeakPolarHBondContact O-CB 3.46Å; Y385-A389 PolarHBondContact O-N 3.27Å
386K88.8Confident81.2Confident77 Ų7759.3 Ų59.334%0.33530%0.297SS..Hα-helixtrans-54.6-39.9175.6-74.9178.7-64.2-169.30112.2W382 N383 H390W382-K386 VanDerWaalsContact CD1-NZ 3.3Å; W382-K386 HydrophobicContact CD2-CD 4.18Å; W382-K386 HydrophobicContact CD2-CG 4.22Å; W382-K386 HydrophobicContact CE3-CG 4.45Å; W382-K386 HydrophobicContact CH2-CG 4.31Å; W382-K386 HydrophobicContact CZ2-CD 3.83Å; W382-K386 HydrophobicContact CZ2-CG 4.06Å; W382-K386 WeakPolarHBondContact O-CE 3.34Å; W382-K386 WeakPolarHBondContact O-CG 3.49Å; W382-K386 PolarHBondContact O-N 2.91Å; N383-K386 PolarHBondContact O-N 3.25Å; N383-K386 WeakPolarHBondContact OD1-CE 3.39Å; N383-K386 PolarHBondContact OD1-NZ 2.71Å; K386-H390 PolarHBondContact O-ND1 3.11Å
387L87.2Confident81.1Confident54 Ų5467 Ų6728%0.28333%0.328SS..Hα-helixtrans-68.7-41.8178-177.266.6000113.2N383 I384 Y385 T424 V680N383-L387 PolarHBondContact O-N 3.16Å; N383-L387 VanDerWaalsContact O-N 3.08Å; I384-L387 PolarHBondContact O-N 3.03Å; Y385-L387 PolarHBondContact O-N 2.94Å; L387-T424 HydrophobicContact CD2-CG2 4.31Å; L387-V680 HydrophobicContact CD2-CG1 3.59Å
388L85.9Confident81.1Confident12 Ų1266.6 Ų66.66%0.06333%0.325CS..Hα-helixtrans-91.5-23.1-172.3-68.1178.6000114.9I384 Y385 H390 R423 T676 V680I384-L388 HydrophobicContact CG2-CD1 3.83Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CG 3.3Å; I384-L388 PolarHBondContact O-N 3.48Å; Y385-L388 PolarHBondContact O-N 2.82Å; Y385-L388 VanDerWaalsContact O-N 3.16Å; L388-H390 VanDerWaalsContact C-N 3.32Å; L388-R423 HydrophobicContact CD2-CB 4.08Å; L388-T676 HydrophobicContact CD1-CG2 3.36Å; L388-V680 HydrophobicContact CD1-CG2 3.81Å; L388-V680 HydrophobicContact CD2-CG2 4.01Å; L388-V680 HydrophobicContact CG-CG2 4.06Å
389A76.1Confident80.9Confident20 Ų2072.3 Ų72.317%0.16536%0.355CS..Hα-helixtrans-75.9-19.4178.600000113.3Y385Y385-A389 HydrophobicContact CD1-CB 4.48Å; Y385-A389 HydrophobicContact CD2-CB 4.31Å; Y385-A389 HydrophobicContact CE1-CB 3.99Å; Y385-A389 HydrophobicContact CE2-CB 3.79Å; Y385-A389 WeakPolarHBondContact O-CB 3.46Å; Y385-A389 PolarHBondContact O-N 3.27Å
390H69.8Low81Confident57 Ų5769.8 Ų69.826%0.26434%0.343SS..  trans-119.9115.9-176.9-50.579.9000110.3R246 K386 L388 K392R246-H390 VanDerWaalsContact CZ-CD2 3.44Å; R246-H390 VanDerWaalsContact CZ-NE2 3.32Å; R246-H390 PolarHBondContact NH1-NE2 3.17Å; R246-H390 PolarHBondContact NH2-CD2 3.11Å; R246-H390 PolarHBondContact NH2-NE2 3.35Å; K386-H390 PolarHBondContact O-ND1 3.11Å; L388-H390 VanDerWaalsContact C-N 3.32Å; H390-K392 HydrophobicContact CB-CG 4.2Å; H390-K392 PolarHBondContact O-N 3.31Å
391Q67.1Low81.4Confident65 Ų6569.2 Ų69.230%0.30434%0.341SS..  trans-74.879.7164.3-171.4-175.50.100109R253 P393 W452R253-Q391 VanDerWaalsContact NH1-OE1 3.14Å; Q391-P393 WeakPolarHBondContact O-CD 3.48Å; Q391-W452 HydrophobicContact CB-CD2 4.24Å; Q391-W452 HydrophobicContact CB-CE3 4.49Å; Q391-W452 HydrophobicContact CB-CH2 4.16Å; Q391-W452 HydrophobicContact CB-CZ2 3.87Å; Q391-W452 HydrophobicContact CB-CZ3 4.45Å; Q391-W452 HydrophobicContact CG-CD2 3.96Å; Q391-W452 HydrophobicContact CG-CE3 4.03Å; Q391-W452 HydrophobicContact CG-CG 4.4Å; Q391-W452 HydrophobicContact CG-CH2 4.5Å; Q391-W452 HydrophobicContact CG-CZ2 4.44Å; Q391-W452 HydrophobicContact CG-CZ3 4.29Å
392K65.9Low81.6Confident149 Ų14969.2 Ų69.265%0.64834%0.341SS*.PPolyproline II helixtrans-69.8118.7167.5-65.6-173.3-180-176.20107.5H390H390-K392 HydrophobicContact CB-CG 4.2Å; H390-K392 PolarHBondContact O-N 3.31Å
393P62.2Low81.8Confident107 Ų10767.4 Ų67.470%0.69533%0.334SS*.PPolyproline II helixtrans-60.6135.6173.325.2-32.3000108.6Q391 K395Q391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-K395 PolarHBondContact O-N 3.02Å
394P65.6Low82.1Confident52 Ų5264.4 Ų64.434%0.33832%0.318SS..PPolyproline II helixtrans-63.4133.6178.828.3-35.2000109E396P394-E396 PolarHBondContact O-N 2.64Å
395K63.2Low82.4Confident218 Ų21864.1 Ų64.195%0.94832%0.317SS*.SBendtrans-59.6-33.9-178.9-70.8-173.8175.8-175.20112.2P393P393-K395 PolarHBondContact O-N 3.02Å
396E73.6Confident82.6Confident167 Ų16763.6 Ų63.678%0.7832%0.315SS*.SBendtrans-138.3148.3174.8-66.3-179.517000109.2P394P394-E396 PolarHBondContact O-N 2.64Å
397K80.2Confident83.1Confident174 Ų17460 Ų6076%0.75730%0.299SS*.  trans-79.4129.6173.1-146.1-177.9-172.2-174.30108.2
398S84.3Confident83.5Confident28 Ų2857.5 Ų57.520%0.19629%0.287CS..  trans-80.1154.2177.995.20000110.8F400 G429 H430S398-F400 PolarHBondContact O-N 3.01Å; S398-F400 PolarHBondContact OG-N 2.83Å; S398-F400 VanDerWaalsContact OG-N 3.11Å; S398-G429 PolarHBondContact N-O 3.43Å; S398-G429 PolarHBondContact OG-O 3.23Å; S398-H430 PolarHBondContact OG-ND1 3.34Å
399N85.7Confident84Confident125 Ų12558.2 Ų58.267%0.66829%0.294SS*.SBendtrans-77.3-1.6173.4-62.9-18.6000113.9
400F94.4Very high84.8Confident19 Ų1959.4 Ų59.48%0.08330%0.3CS..  trans-91.4146.3-177.3-54.2-61000112.9S398 L402 H430 T431 H490 L690 R691 Y694 V699S398-F400 PolarHBondContact O-N 3.01Å; S398-F400 PolarHBondContact OG-N 2.83Å; S398-F400 VanDerWaalsContact OG-N 3.11Å; F400-L402 HydrophobicContact CB-CD1 4.5Å; F400-H430 AromaticContact CD2-CE1 3.87Å; F400-T431 PolarHBondContact O-N 3.38Å; F400-H490 HydrophobicContact CD1-CB 4.47Å; F400-L690 HydrophobicContact CB-CD1 4.05Å; F400-L690 HydrophobicContact CD1-CB 4.27Å; F400-L690 HydrophobicContact CD1-CD1 4.44Å; F400-L690 HydrophobicContact CD1-CD2 4.03Å; F400-L690 HydrophobicContact CD2-CB 4.27Å; F400-L690 HydrophobicContact CD2-CD1 4.48Å; F400-L690 HydrophobicContact CE1-CB 4.18Å; F400-L690 HydrophobicContact CE1-CD2 4.36Å; F400-L690 HydrophobicContact CE2-CB 4.18Å; F400-L690 HydrophobicContact CG-CB 4.31Å; F400-L690 HydrophobicContact CG-CD1 4.09Å; F400-L690 HydrophobicContact CG-CD2 4.49Å; F400-L690 HydrophobicContact CZ-CB 4.13Å; F400-R691 HydrophobicContact CE2-CG 4.24Å; F400-Y694 AromaticContact CE1-CD2 3.63Å; F400-Y694 HydrophobicContact CE1-CD2 3.63Å; F400-Y694 HydrophobicContact CE1-CE2 4.22Å; F400-Y694 AromaticContact CE1-CG 3.83Å; F400-Y694 HydrophobicContact CE1-CG 3.83Å; F400-Y694 HydrophobicContact CZ-CD1 4.37Å; F400-Y694 HydrophobicContact CZ-CD2 4.18Å; F400-Y694 AromaticContact CZ-CG 3.9Å; F400-Y694 HydrophobicContact CZ-CG 3.9Å; F400-V699 HydrophobicContact CD1-CG2 4.09Å; F400-V699 HydrophobicContact CE1-CG2 3.81Å
401S95.8Very high86.1Confident11 Ų1156.7 Ų56.78%0.07729%0.288CS..EExtended strand (participates in β ladder)trans-128.3142.4172.858.30000110.7T431 G488 H490 A491S401-T431 CarbonylContact C-O 3.53Å; S401-T431 WeakPolarHBondContact CA-O 3.4Å; S401-G488 PolarHBondContact OG-O 3.41Å; S401-H490 PolarHBondContact N-ND1 2.91Å; S401-H490 WeakPolarHBondContact O-CA 3.47Å; S401-H490 WeakPolarHBondContact O-CB 3.46Å; S401-H490 PolarHBondContact O-N 3.33Å; S401-H490 PolarHBondContact OG-ND1 2.91Å; S401-A491 PolarHBondContact O-N 2.76Å
402L96.8Very high87.4Confident1 Ų153.7 Ų53.71%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-134.1142.8-174.1-60.292.3000110.4F400 H430 T431 Y433 A491 M683 L686 L690F400-L402 HydrophobicContact CB-CD1 4.5Å; L402-H430 HydrophobicContact CD1-CB 3.43Å; L402-H430 VanDerWaalsContact CD1-CB 3.43Å; L402-H430 VanDerWaalsContact CD1-CG 3.46Å; L402-T431 PolarHBondContact N-O 3.03Å; L402-Y433 PolarHBondContact O-N 3.11Å; L402-A491 WeakPolarHBondContact CA-O 3.45Å; L402-A491 HydrophobicContact CD2-CB 3.76Å; L402-A491 HydrophobicContact CG-CB 3.96Å; L402-M683 HydrophobicContact CD2-CE 4.22Å; L402-M683 HydrophobicContact CD2-SD 3.78Å; L402-L686 HydrophobicContact CD2-CB 3.94Å; L402-L686 HydrophobicContact CD2-CD1 4.01Å; L402-L690 HydrophobicContact CD1-CD1 4.26Å; L402-L690 HydrophobicContact CD2-CD1 4Å; L402-L690 HydrophobicContact CG-CD1 4.2Å
403A98.3Very high88.8Confident0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-111.1136175.300000111.5Y433 V435 I489 A491 L492 L493A403-Y433 WeakPolarHBondContact CA-O 3.49Å; A403-V435 HydrophobicContact CB-CG2 4.02Å; A403-I489 HydrophobicContact CB-CD1 3.73Å; A403-I489 HydrophobicContact CB-CG1 4.15Å; A403-I489 HydrophobicContact CB-CG2 3.9Å; A403-A491 PolarHBondContact N-O 3.1Å; A403-L492 HydrophobicContact CB-CD1 3.94Å; A403-L493 PolarHBondContact O-N 3.48Å
404I98.6Very high90.4Very high0 Ų041.6 Ų41.60%021%0.211CC..EExtended strand (participates in β ladder)trans-117.5129.7178.8-49.5178.1000109.3V418 A421 V422 V432 Y433 V434 V435 L493 M683I404-V418 HydrophobicContact CG2-CG1 4.21Å; I404-V418 HydrophobicContact CG2-CG2 4.03Å; I404-A421 HydrophobicContact CD1-CB 3.92Å; I404-V422 HydrophobicContact CD1-CG2 3.67Å; I404-V432 HydrophobicContact CD1-CG1 3.65Å; I404-V432 HydrophobicContact CG1-CG1 4.12Å; I404-Y433 PolarHBondContact N-O 2.56Å; I404-V434 CarbonylContact O-C 3.55Å; I404-V434 WeakPolarHBondContact O-CA 3.17Å; I404-V435 PolarHBondContact O-N 2.82Å; I404-L493 WeakPolarHBondContact CA-O 3.4Å; I404-L493 HydrophobicContact CD1-CD2 4.29Å; I404-L493 HydrophobicContact CG1-CB 4.17Å; I404-L493 HydrophobicContact CG1-CD2 4.26Å; I404-L493 HydrophobicContact CG2-CB 4.39Å; I404-L493 HydrophobicContact CG2-CD2 4.18Å; I404-L493 HydrophobicContact CG2-CG 4.39Å; I404-M683 HydrophobicContact CD1-CE 4.11Å
405L98.1Very high91.9Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-142.5154.7179.964.3153.8000112.7V407 V435 F439 L492 L493 V494 V495L405-V407 HydrophobicContact CD1-CG2 3.76Å; L405-V407 HydrophobicContact CG-CG2 4.35Å; L405-V435 HydrophobicContact CB-CB 4.01Å; L405-V435 HydrophobicContact CB-CG2 4.44Å; L405-F439 HydrophobicContact CD1-CD1 3.8Å; L405-F439 HydrophobicContact CD1-CE1 3.95Å; L405-F439 HydrophobicContact CD1-CG 4.22Å; L405-L492 HydrophobicContact CD2-CD1 3.37Å; L405-L492 HydrophobicContact CD2-CD2 4.29Å; L405-L492 HydrophobicContact CD2-CG 3.76Å; L405-L493 PolarHBondContact N-O 3.12Å; L405-V494 HydrophobicContact CD2-CG2 3.98Å; L405-V494 HydrophobicContact CG-CG1 4.24Å; L405-V494 HydrophobicContact CG-CG2 4.3Å; L405-V494 WeakPolarHBondContact O-CA 3.28Å; L405-V495 PolarHBondContact O-N 3.06Å
406N98.4Very high93.5Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-108134.6176.4-65.8-1.3000110.7V418 G438 S464 T468 V495N406-V418 WeakPolarHBondContact OD1-CG2 3.31Å; N406-G438 VanDerWaalsContact O-CA 3.28Å; N406-G438 WeakPolarHBondContact O-CA 3.46Å; N406-S464 PolarHBondContact ND2-OG 3.05Å; N406-T468 PolarHBondContact O-OG1 3.34Å; N406-V495 VanDerWaalsContact CA-O 3.24Å; N406-V495 WeakPolarHBondContact CA-O 3.35Å
407V98.2Very high94.7Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-137.4141.5-174.4178.70000111.3L405 F439 T468 V494 V495 G496 G497 E499 A500L405-V407 HydrophobicContact CD1-CG2 3.76Å; L405-V407 HydrophobicContact CG-CG2 4.35Å; V407-F439 HydrophobicContact CB-CE2 4.38Å; V407-F439 HydrophobicContact CG1-CD2 4.02Å; V407-F439 HydrophobicContact CG1-CE2 3.91Å; V407-F439 HydrophobicContact CG2-CD2 3.81Å; V407-F439 HydrophobicContact CG2-CE2 3.77Å; V407-F439 HydrophobicContact CG2-CG 4.44Å; V407-F439 HydrophobicContact CG2-CZ 4.35Å; V407-T468 VanDerWaalsContact C-OG1 3.28Å; V407-T468 WeakPolarHBondContact CA-OG1 3.38Å; V407-T468 PolarHBondContact N-OG1 3.21Å; V407-V494 HydrophobicContact CB-CG1 3.98Å; V407-V494 HydrophobicContact CG2-CG1 3.63Å; V407-V495 PolarHBondContact N-O 3.41Å; V407-G496 WeakPolarHBondContact O-CA 3.45Å; V407-G497 PolarHBondContact O-N 2.86Å; V407-E499 HydrophobicContact CG1-CB 3.85Å; V407-A500 HydrophobicContact CB-CB 4.03Å; V407-A500 HydrophobicContact CG1-CB 4.34Å
408G96.1Very high95.5Very high3 Ų312.5 Ų12.53%0.0318%0.076CC..SBendtrans97.6-154.8-177.100000113T468 K469G408-T468 PolarHBondContact N-OG1 3.45Å; G408-T468 WeakPolarHBondContact O-CG2 3.42Å; G408-T468 PolarHBondContact O-OG1 3.32Å; G408-K469 PolarHBondContact N-O 2.9Å
409A95.1Very high96.1Very high27 Ų2711.8 Ų11.822%0.2237%0.069CC..SBendtrans-77.8150.2173.800000111.1A411 M414A409-A411 PolarHBondContact O-N 3.49Å; A409-M414 VanDerWaalsContact O-CE 3.25Å; A409-M414 WeakPolarHBondContact O-CE 3.43Å
410P94.8Very high96.5Very high44 Ų445.8 Ų5.829%0.2864%0.038SC..  trans-59.3138.9173.3-18.229.7000111.5T468P410-T468 HydrophobicContact CB-CG2 4.32Å; P410-T468 HydrophobicContact CG-CG2 3.75Å
411A95.3Very high96.7Very high1 Ų14.9 Ų4.91%0.0083%0.034CC..  trans-136.5142.8174.700000110.1A409 M414 A526 L539A409-A411 PolarHBondContact O-N 3.49Å; A411-M414 HydrophobicContact CB-CE 4.06Å; A411-M414 HydrophobicContact CB-CG 4.29Å; A411-M414 HydrophobicContact CB-SD 4.34Å; A411-M414 PolarHBondContact N-SD 2.82Å; A411-M414 VanDerWaalsContact N-SD 3.41Å; A411-M414 WeakPolarHBondContact O-CB 3.3Å; A411-M414 VanDerWaalsContact O-CG 3.26Å; A411-M414 WeakPolarHBondContact O-CG 3.47Å; A411-M414 PolarHBondContact O-N 2.55Å; A411-A526 HydrophobicContact CB-CB 4.3Å; A411-L539 WeakPolarHBondContact CB-O 3.48Å
412A94.8Very high96.6Very high2 Ų24.4 Ų4.42%0.0173%0.03CC..THydrogen-bonded Turntrans-57.7144.2173.200000110.9M414 L539 G540 T543 P667A412-M414 VanDerWaalsContact C-N 3.34Å; A412-M414 PolarHBondContact O-N 3.42Å; A412-L539 CarbonylContact O-C 3.46Å; A412-G540 VanDerWaalsContact O-CA 3.23Å; A412-G540 WeakPolarHBondContact O-CA 3.32Å; A412-G540 PolarHBondContact O-N 2.94Å; A412-T543 HydrophobicContact CB-CG2 3.64Å; A412-T543 WeakPolarHBondContact CB-OG1 3.27Å; A412-P667 HydrophobicContact CB-CB 3.92Å
413G95.4Very high96.5Very high1 Ų15.8 Ų5.81%0.014%0.035CC..THydrogen-bonded Turntrans86.7-17-176.900000115.8N415 A416 A417G413-N415 VanDerWaalsContact C-N 3.28Å; G413-N415 PolarHBondContact O-N 3.42Å; G413-A416 WeakPolarHBondContact O-CB 3.38Å; G413-A416 PolarHBondContact O-N 2.7Å; G413-A417 PolarHBondContact O-N 3.08Å; G413-A417 VanDerWaalsContact O-N 3.08Å
414M97.1Very high96.2Very high0 Ų05.8 Ų5.80%04%0.035CC..Hα-helixtrans-50.6-47.7173.6-77.5-179.4163.300112.1A409 A411 A412 A416 A417 V418 V495 A526A409-M414 VanDerWaalsContact O-CE 3.25Å; A409-M414 WeakPolarHBondContact O-CE 3.43Å; A411-M414 HydrophobicContact CB-CE 4.06Å; A411-M414 HydrophobicContact CB-CG 4.29Å; A411-M414 HydrophobicContact CB-SD 4.34Å; A411-M414 PolarHBondContact N-SD 2.82Å; A411-M414 VanDerWaalsContact N-SD 3.41Å; A411-M414 WeakPolarHBondContact O-CB 3.3Å; A411-M414 VanDerWaalsContact O-CG 3.26Å; A411-M414 WeakPolarHBondContact O-CG 3.47Å; A411-M414 PolarHBondContact O-N 2.55Å; A412-M414 VanDerWaalsContact C-N 3.34Å; A412-M414 PolarHBondContact O-N 3.42Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.48Å; M414-A417 PolarHBondContact O-N 2.8Å; M414-V418 WeakPolarHBondContact O-CG2 3.46Å; M414-V418 PolarHBondContact O-N 2.58Å; M414-V495 HydrophobicContact CB-CG1 4.36Å; M414-V495 HydrophobicContact CG-CG1 4.05Å; M414-A526 HydrophobicContact CE-CB 3.65Å; M414-A526 HydrophobicContact CG-CB 3.69Å
415N97.3Very high96Very high0 Ų05.8 Ų5.80%04%0.035CC..Hα-helixtrans-65.8-29.5-179.5-62.1-39.7000113.2G413 R419 W458 R461 G462 G463 M465G413-N415 VanDerWaalsContact C-N 3.28Å; G413-N415 PolarHBondContact O-N 3.42Å; N415-R419 VanDerWaalsContact O-CB 3.22Å; N415-R419 WeakPolarHBondContact O-CB 3.39Å; N415-R419 PolarHBondContact O-N 3.49Å; N415-W458 HydrophobicContact CB-CB 4.24Å; N415-W458 WeakPolarHBondContact CB-O 3.37Å; N415-R461 PolarHBondContact ND2-O 3.19Å; N415-G462 PolarHBondContact ND2-O 3.3Å; N415-G463 PolarHBondContact ND2-O 2.93Å; N415-M465 WeakPolarHBondContact OD1-CB 3.13Å; N415-M465 WeakPolarHBondContact OD1-CG 3.35Å; N415-M465 PolarHBondContact OD1-N 3.27Å
416A96.6Very high95.7Very high0 Ų07.3 Ų7.30%04%0.043CC..Hα-helixtrans-72.6-40175.400000111.6G413 M414 S420 L459G413-A416 WeakPolarHBondContact O-CB 3.38Å; G413-A416 PolarHBondContact O-N 2.7Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.48Å; A416-S420 WeakPolarHBondContact O-CB 3.37Å; A416-S420 PolarHBondContact O-N 3.02Å; A416-S420 PolarHBondContact O-OG 2.99Å; A416-L459 HydrophobicContact CB-CG 4.23Å
417A97.5Very high95.2Very high0 Ų08.5 Ų8.50%05%0.051CC..Hα-helixtrans-63.7-47.5172.900000112.2G413 M414 S420 A421 V495 I524 L539 G675G413-A417 PolarHBondContact O-N 3.08Å; G413-A417 VanDerWaalsContact O-N 3.08Å; M414-A417 PolarHBondContact O-N 2.8Å; A417-S420 PolarHBondContact O-N 3.29Å; A417-S420 PolarHBondContact O-OG 2.91Å; A417-A421 VanDerWaalsContact O-CB 3.27Å; A417-A421 WeakPolarHBondContact O-CB 3.29Å; A417-A421 PolarHBondContact O-N 2.88Å; A417-V495 HydrophobicContact CB-CG1 4.28Å; A417-I524 HydrophobicContact CB-CD1 4.18Å; A417-I524 HydrophobicContact CB-CG2 4.39Å; A417-L539 HydrophobicContact CB-CD1 3.81Å; A417-G675 WeakPolarHBondContact CA-O 3.11Å; A417-G675 WeakPolarHBondContact CB-O 3.41Å
418V97.8Very high94.8Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-61.1-47.5175.2176.90000111.1I404 N406 M414 S420 A421 V422 W458 L466 V495I404-V418 HydrophobicContact CG2-CG1 4.21Å; I404-V418 HydrophobicContact CG2-CG2 4.03Å; N406-V418 WeakPolarHBondContact OD1-CG2 3.31Å; M414-V418 WeakPolarHBondContact O-CG2 3.46Å; M414-V418 PolarHBondContact O-N 2.58Å; V418-S420 PolarHBondContact O-N 3.32Å; V418-A421 PolarHBondContact O-N 3.43Å; V418-V422 HydrophobicContact CG1-CG2 4.16Å; V418-V422 WeakPolarHBondContact O-CB 3.23Å; V418-V422 VanDerWaalsContact O-CG2 3.27Å; V418-V422 WeakPolarHBondContact O-CG2 3.21Å; V418-V422 PolarHBondContact O-N 2.96Å; V418-W458 HydrophobicContact CB-CZ3 4.4Å; V418-W458 HydrophobicContact CG1-CE3 4.31Å; V418-W458 HydrophobicContact CG1-CZ3 3.78Å; V418-L466 HydrophobicContact CG1-CD1 4.19Å; V418-L466 HydrophobicContact CG2-CD1 4.22Å; V418-V495 HydrophobicContact CG2-CG2 4.12Å
419R96.1Very high94.6Very high13 Ų1311.2 Ų11.25%0.0496%0.064CC..Hα-helixtrans-56.9-47.6179.1174-173.5171.4-81.511.7112.5N415 R423 V455 W458N415-R419 VanDerWaalsContact O-CB 3.22Å; N415-R419 WeakPolarHBondContact O-CB 3.39Å; N415-R419 PolarHBondContact O-N 3.49Å; R419-R423 WeakPolarHBondContact O-CB 3.15Å; R419-R423 WeakPolarHBondContact O-CG 3.28Å; R419-R423 PolarHBondContact O-N 3.05Å; R419-R423 VanDerWaalsContact O-N 3.13Å; R419-V455 HydrophobicContact CB-CB 4.13Å; R419-V455 HydrophobicContact CB-CG2 4.36Å; R419-V455 HydrophobicContact CG-CB 4.12Å; R419-V455 HydrophobicContact CG-CG2 3.98Å; R419-V455 WeakPolarHBondContact CG-O 3.46Å; R419-W458 HydrophobicContact CB-CB 4.4Å
420S95.5Very high94.6Very high0 Ų010.4 Ų10.40%06%0.056CC..Hα-helixtrans-69.8-43.4-177.754.30000111.6A416 A417 V418 V422 R423 T424 T676 G679A416-S420 WeakPolarHBondContact O-CB 3.37Å; A416-S420 PolarHBondContact O-N 3.02Å; A416-S420 PolarHBondContact O-OG 2.99Å; A417-S420 PolarHBondContact O-N 3.29Å; A417-S420 PolarHBondContact O-OG 2.91Å; V418-S420 PolarHBondContact O-N 3.32Å; S420-V422 PolarHBondContact O-N 3.23Å; S420-R423 PolarHBondContact O-N 3Å; S420-T424 WeakPolarHBondContact O-CB 3.49Å; S420-T424 PolarHBondContact O-N 2.83Å; S420-T424 PolarHBondContact O-OG1 3.46Å; S420-T424 VanDerWaalsContact O-OG1 3.05Å; S420-T676 VanDerWaalsContact CB-O 3.3Å; S420-T676 WeakPolarHBondContact CB-O 3.15Å; S420-T676 WeakPolarHBondContact OG-CA 3.16Å; S420-T676 PolarHBondContact OG-O 2.97Å; S420-T676 VanDerWaalsContact OG-O 3.07Å; S420-G679 WeakPolarHBondContact OG-CA 3.49Å
421A96.8Very high94.6Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-59-47.6174.300000112.5I404 A417 V418 R423 T424 G425 L493 G679 M683I404-A421 HydrophobicContact CD1-CB 3.92Å; A417-A421 VanDerWaalsContact O-CB 3.27Å; A417-A421 WeakPolarHBondContact O-CB 3.29Å; A417-A421 PolarHBondContact O-N 2.88Å; V418-A421 PolarHBondContact O-N 3.43Å; A421-R423 PolarHBondContact O-N 3.25Å; A421-T424 PolarHBondContact O-N 2.95Å; A421-G425 PolarHBondContact O-N 3.05Å; A421-L493 HydrophobicContact CB-CD2 3.44Å; A421-L493 VanDerWaalsContact CB-CD2 3.44Å; A421-G679 WeakPolarHBondContact CA-O 3.4Å; A421-M683 HydrophobicContact CB-CB 4.44Å; A421-M683 HydrophobicContact CB-CE 4.06Å; A421-M683 WeakPolarHBondContact O-CE 3.3Å
422V95.4Very high94.7Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-56.6-50176.2167.40000111.2I404 V418 S420 G425 I426 V432 V434 V450 V455I404-V422 HydrophobicContact CD1-CG2 3.67Å; V418-V422 HydrophobicContact CG1-CG2 4.16Å; V418-V422 WeakPolarHBondContact O-CB 3.23Å; V418-V422 VanDerWaalsContact O-CG2 3.27Å; V418-V422 WeakPolarHBondContact O-CG2 3.21Å; V418-V422 PolarHBondContact O-N 2.96Å; S420-V422 PolarHBondContact O-N 3.23Å; V422-G425 PolarHBondContact O-N 3.02Å; V422-I426 HydrophobicContact CG1-CD1 3.81Å; V422-I426 VanDerWaalsContact O-CG1 3.3Å; V422-I426 WeakPolarHBondContact O-CG1 3.22Å; V422-I426 PolarHBondContact O-N 3.05Å; V422-I426 VanDerWaalsContact O-N 3.08Å; V422-V432 HydrophobicContact CG2-CG1 4.07Å; V422-V434 HydrophobicContact CG2-CG1 4.35Å; V422-V450 HydrophobicContact CB-CG1 4.41Å; V422-V450 HydrophobicContact CG1-CB 4.5Å; V422-V450 HydrophobicContact CG1-CG1 3.68Å; V422-V450 HydrophobicContact CG1-CG2 4.06Å; V422-V450 HydrophobicContact CG2-CG1 3.8Å; V422-V455 HydrophobicContact CB-CG1 4.18Å; V422-V455 HydrophobicContact CB-CG2 4.21Å; V422-V455 HydrophobicContact CG1-CG1 4.12Å; V422-V455 HydrophobicContact CG1-CG2 3.92Å; V422-V455 HydrophobicContact CG2-CG1 4.07Å
423R92.8Very high94.8Very high30 Ų3012.2 Ų12.211%0.1136%0.062CC..Hα-helixtrans-61.9-46.9179.9-75.6-173.5172-155.7-1.7112L388 R419 S420 A421 G425 I426 S427 W452 V455L388-R423 HydrophobicContact CD2-CB 4.08Å; R419-R423 WeakPolarHBondContact O-CB 3.15Å; R419-R423 WeakPolarHBondContact O-CG 3.28Å; R419-R423 PolarHBondContact O-N 3.05Å; R419-R423 VanDerWaalsContact O-N 3.13Å; S420-R423 PolarHBondContact O-N 3Å; A421-R423 PolarHBondContact O-N 3.25Å; R423-G425 PolarHBondContact O-N 3.35Å; R423-I426 PolarHBondContact O-N 3.16Å; R423-S427 PolarHBondContact O-N 3.19Å; R423-S427 PolarHBondContact O-OG 3.2Å; R423-W452 HydrophobicContact CB-CD2 4.44Å; R423-W452 HydrophobicContact CB-CE3 3.79Å; R423-W452 HydrophobicContact CB-CH2 3.93Å; R423-W452 HydrophobicContact CB-CZ3 3.51Å; R423-W452 HydrophobicContact CG-CD2 3.8Å; R423-W452 HydrophobicContact CG-CE3 3.65Å; R423-W452 HydrophobicContact CG-CH2 4.08Å; R423-W452 HydrophobicContact CG-CZ2 4.22Å; R423-W452 HydrophobicContact CG-CZ3 3.8Å; R423-W452 WeakPolarHBondContact O-CZ3 3.13Å; R423-V455 HydrophobicContact CG-CG2 4.29Å
424T93.6Very high94.9Very high1 Ų112.4 Ų12.41%0.0066%0.063CC..Hα-helixtrans-62.5-41.1177.8-60.70000112L387 S420 A421 I426 S427 Q428 V680 M683 L684L387-T424 HydrophobicContact CD2-CG2 4.31Å; S420-T424 WeakPolarHBondContact O-CB 3.49Å; S420-T424 PolarHBondContact O-N 2.83Å; S420-T424 PolarHBondContact O-OG1 3.46Å; S420-T424 VanDerWaalsContact O-OG1 3.05Å; A421-T424 PolarHBondContact O-N 2.95Å; T424-I426 PolarHBondContact O-N 3.42Å; T424-S427 PolarHBondContact O-N 2.82Å; T424-Q428 WeakPolarHBondContact O-CG 3.33Å; T424-Q428 PolarHBondContact O-N 2.9Å; T424-V680 HydrophobicContact CG2-CG1 4.48Å; T424-M683 HydrophobicContact CG2-CB 3.88Å; T424-M683 HydrophobicContact CG2-CG 3.73Å; T424-L684 HydrophobicContact CG2-CD2 3.82Å; T424-L684 HydrophobicContact CG2-CG 3.96Å
425G93.7Very high95Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-64-42.117900000112.2A421 V422 R423 Q428 G429 H430A421-G425 PolarHBondContact O-N 3.05Å; V422-G425 PolarHBondContact O-N 3.02Å; R423-G425 PolarHBondContact O-N 3.35Å; G425-Q428 CarbonylContact O-C 3.53Å; G425-Q428 PolarHBondContact O-N 3.45Å; G425-G429 PolarHBondContact O-N 3.14Å; G425-H430 WeakPolarHBondContact O-CB 3.25Å; G425-H430 PolarHBondContact O-N 3.04Å
426I90.9Very high94.9Very high32 Ų3215.2 Ų15.216%0.1648%0.076CC..Hα-helixtrans-62.6-42173.5-66.6167000111V422 R423 T424 Q428 G429 V432 W452V422-I426 HydrophobicContact CG1-CD1 3.81Å; V422-I426 VanDerWaalsContact O-CG1 3.3Å; V422-I426 WeakPolarHBondContact O-CG1 3.22Å; V422-I426 PolarHBondContact O-N 3.05Å; V422-I426 VanDerWaalsContact O-N 3.08Å; R423-I426 PolarHBondContact O-N 3.16Å; T424-I426 PolarHBondContact O-N 3.42Å; I426-Q428 VanDerWaalsContact C-N 3.28Å; I426-Q428 PolarHBondContact O-N 2.59Å; I426-G429 PolarHBondContact O-N 3.32Å; I426-V432 HydrophobicContact CG1-CG2 4.22Å; I426-W452 HydrophobicContact CD1-CB 4.35Å; I426-W452 HydrophobicContact CG2-CE3 4.48Å
427S89.1Confident94.9Very high24 Ų2417.5 Ų17.517%0.1689%0.088CC..Hα-helixtrans-66.6-25.1175.3-680000114R423 T424R423-S427 PolarHBondContact O-N 3.19Å; R423-S427 PolarHBondContact O-OG 3.2Å; T424-S427 PolarHBondContact O-N 2.82Å
428Q89.9Confident94.8Very high56 Ų5617.5 Ų17.526%0.2629%0.088SC..THydrogen-bonded Turntrans-82.91.7170.1-65-66.7-43.900112.9T424 G425 I426 H430 L684T424-Q428 WeakPolarHBondContact O-CG 3.33Å; T424-Q428 PolarHBondContact O-N 2.9Å; G425-Q428 CarbonylContact O-C 3.53Å; G425-Q428 PolarHBondContact O-N 3.45Å; I426-Q428 VanDerWaalsContact C-N 3.28Å; I426-Q428 PolarHBondContact O-N 2.59Å; Q428-H430 VanDerWaalsContact C-N 3.33Å; Q428-L684 HydrophobicContact CG-CD2 4.37Å
429G91.4Very high94.9Very high4 Ų417.6 Ų17.64%0.0419%0.088CC..THydrogen-bonded Turntrans7812.6179.700000114.7S398 G425 I426S398-G429 PolarHBondContact N-O 3.43Å; S398-G429 PolarHBondContact OG-O 3.23Å; G425-G429 PolarHBondContact O-N 3.14Å; I426-G429 PolarHBondContact O-N 3.32Å
430H93.9Very high94.9Very high10 Ų1019.1 Ų19.15%0.04610%0.096CC..  trans-78.2151.5179.4-56.4-36000112.6S398 F400 L402 G425 Q428 S687S398-H430 PolarHBondContact OG-ND1 3.34Å; F400-H430 AromaticContact CD2-CE1 3.87Å; L402-H430 HydrophobicContact CD1-CB 3.43Å; L402-H430 VanDerWaalsContact CD1-CB 3.43Å; L402-H430 VanDerWaalsContact CD1-CG 3.46Å; G425-H430 WeakPolarHBondContact O-CB 3.25Å; G425-H430 PolarHBondContact O-N 3.04Å; Q428-H430 VanDerWaalsContact C-N 3.33Å; H430-S687 WeakPolarHBondContact NE2-CB 3.49Å; H430-S687 PolarHBondContact NE2-OG 2.56Å
431T95.4Very high94.9Very high44 Ų4419.2 Ų19.227%0.2710%0.097SC..EExtended strand (participates in β ladder)trans-81.5114.9163.8-62.90000108.6F400 S401 L402 Y433F400-T431 PolarHBondContact O-N 3.38Å; S401-T431 CarbonylContact C-O 3.53Å; S401-T431 WeakPolarHBondContact CA-O 3.4Å; L402-T431 PolarHBondContact N-O 3.03Å; T431-Y433 HydrophobicContact CG2-CE2 4.16Å
432V96.8Very high95Very high3 Ų319.2 Ų19.22%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-101.7128.5-179.6-170.60000110.1I404 V422 I426 V450I404-V432 HydrophobicContact CD1-CG1 3.65Å; I404-V432 HydrophobicContact CG1-CG1 4.12Å; V422-V432 HydrophobicContact CG2-CG1 4.07Å; I426-V432 HydrophobicContact CG1-CG2 4.22Å; V432-V450 HydrophobicContact CB-CG1 3.89Å; V432-V450 HydrophobicContact CG1-CG1 3.74Å; V432-V450 WeakPolarHBondContact O-CG1 3.13Å; V432-V450 PolarHBondContact O-N 3.44Å
433Y98.1Very high95.1Very high38 Ų3819.8 Ų19.815%0.14910%0.102CC..EExtended strand (participates in β ladder)trans-104.7145.4169-60.8-76.7000110.2L402 A403 I404 T431 V447 Q448 V449 Y487 I489L402-Y433 PolarHBondContact O-N 3.11Å; A403-Y433 WeakPolarHBondContact CA-O 3.49Å; I404-Y433 PolarHBondContact N-O 2.56Å; T431-Y433 HydrophobicContact CG2-CE2 4.16Å; Y433-V447 HydrophobicContact CD1-CG1 3.63Å; Y433-V447 HydrophobicContact CE1-CG1 4.4Å; Y433-V447 HydrophobicContact CG-CG1 3.74Å; Y433-Q448 CarbonylContact C-O 3.59Å; Y433-Q448 VanDerWaalsContact CA-O 3.27Å; Y433-Q448 WeakPolarHBondContact CA-O 3.07Å; Y433-V449 HydrophobicContact CD1-CB 4.48Å; Y433-V449 HydrophobicContact CD1-CG2 3.73Å; Y433-V449 HydrophobicContact CE1-CG2 3.38Å; Y433-Y487 HydrophobicContact CE1-CD1 4.31Å; Y433-I489 HydrophobicContact CD2-CG1 4.35Å
434V97.7Very high95.3Very high6 Ų624 Ų244%0.03612%0.121CC..EExtended strand (participates in β ladder)trans-107.3146.6159.9-66.30000109.3I404 V422 Q448 V450 L466I404-V434 CarbonylContact O-C 3.55Å; I404-V434 WeakPolarHBondContact O-CA 3.17Å; V422-V434 HydrophobicContact CG2-CG1 4.35Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å; V434-Q448 PolarHBondContact N-O 3.01Å; V434-Q448 PolarHBondContact O-N 3.28Å; V434-V450 HydrophobicContact CG1-CB 4.08Å; V434-V450 HydrophobicContact CG1-CG1 3.86Å; V434-V450 HydrophobicContact CG1-CG2 4.32Å; V434-V450 HydrophobicContact CG2-CB 4.33Å; V434-L466 HydrophobicContact CB-CD1 4.28Å; V434-L466 HydrophobicContact CB-CD2 3.65Å; V434-L466 HydrophobicContact CG1-CD1 4.41Å; V434-L466 HydrophobicContact CG1-CD2 3.99Å; V434-L466 HydrophobicContact CG2-CD2 4.01Å
435V97.9Very high95.4Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-119.1128.7176-162.80000109.1A403 I404 L405 L442 Q446 V447A403-V435 HydrophobicContact CB-CG2 4.02Å; I404-V435 PolarHBondContact O-N 2.82Å; L405-V435 HydrophobicContact CB-CB 4.01Å; L405-V435 HydrophobicContact CB-CG2 4.44Å; V435-L442 HydrophobicContact CG1-CB 3.87Å; V435-L442 HydrophobicContact CG1-CD1 4.32Å; V435-L442 HydrophobicContact CG2-CD1 4.29Å; V435-Q446 WeakPolarHBondContact CA-O 3.14Å; V435-V447 HydrophobicContact CG1-CG2 4.18Å; V435-V447 HydrophobicContact CG2-CG2 4.25Å
436H96.9Very high95.5Very high59 Ų5928.5 Ų28.527%0.27315%0.146SC..THydrogen-bonded Turntrans-79.1154.3177.6-71.7-78.8000111.6G438 G441 Q446 L466H436-G438 PolarHBondContact O-N 3.46Å; H436-G441 VanDerWaalsContact O-CA 3.27Å; H436-G441 WeakPolarHBondContact O-CA 3.35Å; H436-Q446 HydrophobicContact CB-CB 4.29Å; H436-Q446 PolarHBondContact N-O 3.09Å; H436-Q446 VanDerWaalsContact N-O 3.12Å; H436-L466 WeakPolarHBondContact CA-O 3.34Å; H436-L466 PolarHBondContact ND1-O 3.1Å
437D95.8Very high95.8Very high48 Ų4828 Ų2826%0.25714%0.144SC..THydrogen-bonded Turntrans50.727.7173.3-77.6-24.6000116.7L466 K469D437-L466 PolarHBondContact N-O 3.44Å; D437-L466 VanDerWaalsContact N-O 3.07Å; D437-K469 HydrophobicContact CB-CG 3.94Å; D437-K469 VanDerWaalsContact O-CG 3.31Å; D437-K469 WeakPolarHBondContact O-CG 3.31Å; D437-K469 WeakPolarHBondContact OD1-CE 3.27Å; D437-K469 IonicContact OD1-NZ 3.28Å; D437-K469 WeakPolarHBondContact OD2-CE 3.31Å; D437-K469 IonicContact OD2-NZ 3.75Å
438G96.3Very high96.2Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans71.2-144.9170.300000114.3N406 H436 E440 G441 L442N406-G438 VanDerWaalsContact O-CA 3.28Å; N406-G438 WeakPolarHBondContact O-CA 3.46Å; H436-G438 PolarHBondContact O-N 3.46Å; G438-E440 PolarHBondContact O-N 3.46Å; G438-G441 PolarHBondContact O-N 2.96Å; G438-L442 PolarHBondContact O-N 3.43Å
439F97.9Very high96.4Very high1 Ų133.1 Ų33.10%0.00417%0.172CC..Hα-helixtrans-61.9-29179.8-65.5-62000113.1L405 V407 L442 A443 T471 P473 I480 L492 V494 V504 L507L405-F439 HydrophobicContact CD1-CD1 3.8Å; L405-F439 HydrophobicContact CD1-CE1 3.95Å; L405-F439 HydrophobicContact CD1-CG 4.22Å; V407-F439 HydrophobicContact CB-CE2 4.38Å; V407-F439 HydrophobicContact CG1-CD2 4.02Å; V407-F439 HydrophobicContact CG1-CE2 3.91Å; V407-F439 HydrophobicContact CG2-CD2 3.81Å; V407-F439 HydrophobicContact CG2-CE2 3.77Å; V407-F439 HydrophobicContact CG2-CG 4.44Å; V407-F439 HydrophobicContact CG2-CZ 4.35Å; F439-L442 WeakPolarHBondContact O-CB 3.43Å; F439-L442 PolarHBondContact O-N 3.07Å; F439-A443 PolarHBondContact O-N 2.92Å; F439-T471 WeakPolarHBondContact CD2-O 3.4Å; F439-P473 HydrophobicContact CB-CB 4.47Å; F439-P473 HydrophobicContact CD1-CB 4.27Å; F439-P473 HydrophobicContact CD2-CG 4.43Å; F439-P473 HydrophobicContact CE2-CG 4.46Å; F439-P473 HydrophobicContact CG-CB 4.24Å; F439-P473 HydrophobicContact CG-CG 4.46Å; F439-I480 HydrophobicContact CB-CD1 4.22Å; F439-L492 HydrophobicContact CE1-CD2 4.35Å; F439-V494 HydrophobicContact CZ-CG1 4.25Å; F439-V494 HydrophobicContact CZ-CG2 4.31Å; F439-V504 HydrophobicContact CZ-CG2 4.47Å; F439-L507 HydrophobicContact CE1-CD1 3.82Å; F439-L507 HydrophobicContact CZ-CD1 4.49Å
440E96.6Very high96.5Very high46 Ų4633.5 Ų33.522%0.21517%0.173CC..Hα-helixtrans-70.3-41178.8-169.9-174.9144.100112G438 A443 K444 T471G438-E440 PolarHBondContact O-N 3.46Å; E440-A443 PolarHBondContact O-N 3.14Å; E440-K444 HydrophobicContact CG-CD 4.4Å; E440-K444 VanDerWaalsContact O-CG 3.29Å; E440-K444 WeakPolarHBondContact O-CG 3.49Å; E440-K444 PolarHBondContact O-N 3.16Å; E440-K444 VanDerWaalsContact O-N 3.14Å; E440-K444 IonicContact OE1-NZ 3.18Å; E440-K444 PolarHBondContact OE1-NZ 3.27Å; E440-T471 HydrophobicContact CB-CG2 4.1Å; E440-T471 HydrophobicContact CG-CG2 4.46Å; E440-T471 PolarHBondContact OE2-OG1 2.86Å
441G96.9Very high96.3Very high1 Ų134.2 Ų34.21%0.0118%0.184CC..Hα-helixtrans-71-31.6172.200000112.4H436 G438 K444 G445 Q446H436-G441 VanDerWaalsContact O-CA 3.27Å; H436-G441 WeakPolarHBondContact O-CA 3.35Å; G438-G441 PolarHBondContact O-N 2.96Å; G441-K444 CarbonylContact O-C 3.56Å; G441-K444 PolarHBondContact O-N 3.24Å; G441-K444 VanDerWaalsContact O-N 3.15Å; G441-G445 PolarHBondContact O-N 2.96Å; G441-G445 VanDerWaalsContact O-N 3.09Å; G441-Q446 WeakPolarHBondContact O-CB 3.35Å; G441-Q446 PolarHBondContact O-N 2.94Å
442L97.4Very high95.8Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-61.5-43.4170.7-174.454.1000111.7V435 G438 F439 K444 G445 V447 I480 N483 I489 L492V435-L442 HydrophobicContact CG1-CB 3.87Å; V435-L442 HydrophobicContact CG1-CD1 4.32Å; V435-L442 HydrophobicContact CG2-CD1 4.29Å; G438-L442 PolarHBondContact O-N 3.43Å; F439-L442 WeakPolarHBondContact O-CB 3.43Å; F439-L442 PolarHBondContact O-N 3.07Å; L442-K444 PolarHBondContact O-N 3.18Å; L442-G445 PolarHBondContact O-N 3.23Å; L442-V447 HydrophobicContact CD1-CG2 4.07Å; L442-I480 HydrophobicContact CD2-CG2 3.85Å; L442-I480 HydrophobicContact CG-CG1 4.39Å; L442-I480 HydrophobicContact CG-CG2 4.24Å; L442-N483 HydrophobicContact CD1-CB 4.44Å; L442-N483 WeakPolarHBondContact O-CB 3.45Å; L442-N483 PolarHBondContact O-ND2 2.61Å; L442-N483 VanDerWaalsContact O-ND2 3.09Å; L442-I489 HydrophobicContact CD1-CD1 4.27Å; L442-L492 HydrophobicContact CD2-CD1 4.42Å
443A97.4Very high95.2Very high12 Ų1236.4 Ų36.410%0.09919%0.19CC..Hα-helixtrans-63-30.7174.100000112.9F439 E440 Q476 S479 I480 N483F439-A443 PolarHBondContact O-N 2.92Å; E440-A443 PolarHBondContact O-N 3.14Å; A443-Q476 HydrophobicContact CB-CB 3.78Å; A443-Q476 HydrophobicContact CB-CG 4.31Å; A443-S479 WeakPolarHBondContact O-CB 3.43Å; A443-I480 HydrophobicContact CB-CG1 3.91Å; A443-N483 PolarHBondContact O-ND2 3.32Å; A443-N483 VanDerWaalsContact O-ND2 3.11Å
444K97.1Very high94.7Very high118 Ų11838.9 Ų38.951%0.51321%0.205SC..THydrogen-bonded Turntrans-89.94179.4-69169.1179.3174.60114.3E440 G441 L442 Q446E440-K444 HydrophobicContact CG-CD 4.4Å; E440-K444 VanDerWaalsContact O-CG 3.29Å; E440-K444 WeakPolarHBondContact O-CG 3.49Å; E440-K444 PolarHBondContact O-N 3.16Å; E440-K444 VanDerWaalsContact O-N 3.14Å; E440-K444 IonicContact OE1-NZ 3.18Å; E440-K444 PolarHBondContact OE1-NZ 3.27Å; G441-K444 CarbonylContact O-C 3.56Å; G441-K444 PolarHBondContact O-N 3.24Å; G441-K444 VanDerWaalsContact O-N 3.15Å; L442-K444 PolarHBondContact O-N 3.18Å; K444-Q446 VanDerWaalsContact C-N 3.32Å; K444-Q446 HydrophobicContact CB-CG 4.07Å; K444-Q446 PolarHBondContact O-N 2.85Å
445G95.9Very high94.4Very high17 Ų1738.6 Ų38.618%0.17520%0.204CC..THydrogen-bonded Turntrans67.724.8-177.100000114.8G441 L442 V447 Y487G441-G445 PolarHBondContact O-N 2.96Å; G441-G445 VanDerWaalsContact O-N 3.09Å; L442-G445 PolarHBondContact O-N 3.23Å; G445-V447 PolarHBondContact O-N 2.89Å; G445-Y487 PolarHBondContact O-OH 2.9Å; G445-Y487 VanDerWaalsContact O-OH 3.12Å
446Q96.8Very high93.8Very high80 Ų8041 Ų4137%0.37422%0.224SC..  trans-78.453.7178.2-61.7-176.4-16.500112.1V435 H436 G441 K444V435-Q446 WeakPolarHBondContact CA-O 3.14Å; H436-Q446 HydrophobicContact CB-CB 4.29Å; H436-Q446 PolarHBondContact N-O 3.09Å; H436-Q446 VanDerWaalsContact N-O 3.12Å; G441-Q446 WeakPolarHBondContact O-CB 3.35Å; G441-Q446 PolarHBondContact O-N 2.94Å; K444-Q446 VanDerWaalsContact C-N 3.32Å; K444-Q446 HydrophobicContact CB-CG 4.07Å; K444-Q446 PolarHBondContact O-N 2.85Å
447V96.7Very high93.3Very high20 Ų2040.3 Ų40.312%0.12123%0.233CC..EExtended strand (participates in β ladder)trans-108.2125.1-172.2-174.10000109.7Y433 V435 L442 G445 Y487Y433-V447 HydrophobicContact CD1-CG1 3.63Å; Y433-V447 HydrophobicContact CE1-CG1 4.4Å; Y433-V447 HydrophobicContact CG-CG1 3.74Å; V435-V447 HydrophobicContact CG1-CG2 4.18Å; V435-V447 HydrophobicContact CG2-CG2 4.25Å; L442-V447 HydrophobicContact CD1-CG2 4.07Å; G445-V447 PolarHBondContact O-N 2.89Å; V447-Y487 HydrophobicContact CB-CD1 4.17Å; V447-Y487 HydrophobicContact CB-CD2 4.04Å; V447-Y487 HydrophobicContact CB-CE1 3.95Å; V447-Y487 HydrophobicContact CB-CE2 3.85Å; V447-Y487 HydrophobicContact CB-CG 4.22Å; V447-Y487 HydrophobicContact CG1-CD1 4.04Å; V447-Y487 HydrophobicContact CG1-CD2 4.28Å; V447-Y487 HydrophobicContact CG1-CE1 4.29Å; V447-Y487 HydrophobicContact CG1-CG 4.04Å; V447-Y487 HydrophobicContact CG2-CD2 3.81Å; V447-Y487 HydrophobicContact CG2-CE2 3.68Å; V447-Y487 HydrophobicContact CG2-CG 4.4Å
448Q96.6Very high93.1Very high99 Ų9939.4 Ų39.446%0.46323%0.226SC..EExtended strand (participates in β ladder)trans-125.1133.5-177.8176.8176.7-10.800111.5Y433 V434Y433-Q448 CarbonylContact C-O 3.59Å; Y433-Q448 VanDerWaalsContact CA-O 3.27Å; Y433-Q448 WeakPolarHBondContact CA-O 3.07Å; V434-Q448 HydrophobicContact CG2-CB 4.14Å; V434-Q448 PolarHBondContact N-O 3.01Å; V434-Q448 PolarHBondContact O-N 3.28Å
449V95.5Very high92.8Very high90 Ų9039.7 Ų39.755%0.54523%0.227SC..EExtended strand (participates in β ladder)trans-67.7131.2169.41800000109.8Y433Y433-V449 HydrophobicContact CD1-CB 4.48Å; Y433-V449 HydrophobicContact CD1-CG2 3.73Å; Y433-V449 HydrophobicContact CE1-CG2 3.38Å
450V93.5Very high92.4Very high11 Ų1140.9 Ų40.97%0.06724%0.24CC..  trans-115.7135.7-176.6680000111.9V422 V432 V434 N454 V455V422-V450 HydrophobicContact CB-CG1 4.41Å; V422-V450 HydrophobicContact CG1-CB 4.5Å; V422-V450 HydrophobicContact CG1-CG1 3.68Å; V422-V450 HydrophobicContact CG1-CG2 4.06Å; V422-V450 HydrophobicContact CG2-CG1 3.8Å; V432-V450 HydrophobicContact CB-CG1 3.89Å; V432-V450 HydrophobicContact CG1-CG1 3.74Å; V432-V450 WeakPolarHBondContact O-CG1 3.13Å; V432-V450 PolarHBondContact O-N 3.44Å; V434-V450 HydrophobicContact CG1-CB 4.08Å; V434-V450 HydrophobicContact CG1-CG1 3.86Å; V434-V450 HydrophobicContact CG1-CG2 4.32Å; V434-V450 HydrophobicContact CG2-CB 4.33Å; V450-N454 HydrophobicContact CG2-CB 3.62Å; V450-V455 HydrophobicContact CG2-CG1 4.1Å
451G88.3Confident92.1Very high26 Ų2645.1 Ų45.127%0.26825%0.254SS..  trans-104.4169.9173.100000113.1H453 N454G451-H453 PolarHBondContact O-N 2.76Å; G451-H453 VanDerWaalsContact O-N 3.12Å; G451-N454 VanDerWaalsContact CA-OD1 3.26Å; G451-N454 WeakPolarHBondContact CA-OD1 3.21Å; G451-N454 PolarHBondContact N-OD1 2.85Å; G451-N454 PolarHBondContact O-N 2.97Å; G451-N454 VanDerWaalsContact O-N 3.1Å; G451-N454 PolarHBondContact O-OD1 2.97Å
452W85.4Confident91.9Very high20 Ų2046.3 Ų46.38%0.07627%0.266CS..THydrogen-bonded Turntrans-54.9-34.6-174.4-177.4-88.8000114.3Q391 R423 I426Q391-W452 HydrophobicContact CB-CD2 4.24Å; Q391-W452 HydrophobicContact CB-CE3 4.49Å; Q391-W452 HydrophobicContact CB-CH2 4.16Å; Q391-W452 HydrophobicContact CB-CZ2 3.87Å; Q391-W452 HydrophobicContact CB-CZ3 4.45Å; Q391-W452 HydrophobicContact CG-CD2 3.96Å; Q391-W452 HydrophobicContact CG-CE3 4.03Å; Q391-W452 HydrophobicContact CG-CG 4.4Å; Q391-W452 HydrophobicContact CG-CH2 4.5Å; Q391-W452 HydrophobicContact CG-CZ2 4.44Å; Q391-W452 HydrophobicContact CG-CZ3 4.29Å; R423-W452 HydrophobicContact CB-CD2 4.44Å; R423-W452 HydrophobicContact CB-CE3 3.79Å; R423-W452 HydrophobicContact CB-CH2 3.93Å; R423-W452 HydrophobicContact CB-CZ3 3.51Å; R423-W452 HydrophobicContact CG-CD2 3.8Å; R423-W452 HydrophobicContact CG-CE3 3.65Å; R423-W452 HydrophobicContact CG-CH2 4.08Å; R423-W452 HydrophobicContact CG-CZ2 4.22Å; R423-W452 HydrophobicContact CG-CZ3 3.8Å; R423-W452 WeakPolarHBondContact O-CZ3 3.13Å; I426-W452 HydrophobicContact CD1-CB 4.35Å; I426-W452 HydrophobicContact CG2-CE3 4.48Å
453H83.9Confident91.7Very high73 Ų7347.8 Ų47.834%0.33828%0.281SS..THydrogen-bonded Turntrans-87.2-20.1-177.2-63.7-83.2000113.7R253 G451 V455 A456R253-H453 WeakPolarHBondContact CB-CE1 3.24Å; R253-H453 PolarHBondContact O-ND1 3.38Å; G451-H453 PolarHBondContact O-N 2.76Å; G451-H453 VanDerWaalsContact O-N 3.12Å; H453-V455 PolarHBondContact O-N 3.11Å; H453-A456 WeakPolarHBondContact O-CB 3.43Å; H453-A456 PolarHBondContact O-N 2.77Å
454N88.6Confident91.6Very high89 Ų8948.4 Ų48.448%0.47629%0.285SS..THydrogen-bonded Turntrans-65.1-26.7180-62.197.3000112.6V450 G451 W458V450-N454 HydrophobicContact CG2-CB 3.62Å; G451-N454 VanDerWaalsContact CA-OD1 3.26Å; G451-N454 WeakPolarHBondContact CA-OD1 3.21Å; G451-N454 PolarHBondContact N-OD1 2.85Å; G451-N454 PolarHBondContact O-N 2.97Å; G451-N454 VanDerWaalsContact O-N 3.1Å; G451-N454 PolarHBondContact O-OD1 2.97Å; N454-W458 PolarHBondContact O-NE1 2.95Å; N454-W458 VanDerWaalsContact O-NE1 3.08Å
455V90.8Very high91.5Very high0 Ų046.1 Ų46.10%028%0.277CS..THydrogen-bonded Turntrans-97.413.9174.9-63.20000113.7R419 V422 R423 V450 H453 W458R419-V455 HydrophobicContact CB-CB 4.13Å; R419-V455 HydrophobicContact CB-CG2 4.36Å; R419-V455 HydrophobicContact CG-CB 4.12Å; R419-V455 HydrophobicContact CG-CG2 3.98Å; R419-V455 WeakPolarHBondContact CG-O 3.46Å; V422-V455 HydrophobicContact CB-CG1 4.18Å; V422-V455 HydrophobicContact CB-CG2 4.21Å; V422-V455 HydrophobicContact CG1-CG1 4.12Å; V422-V455 HydrophobicContact CG1-CG2 3.92Å; V422-V455 HydrophobicContact CG2-CG1 4.07Å; R423-V455 HydrophobicContact CG-CG2 4.29Å; V450-V455 HydrophobicContact CG2-CG1 4.1Å; H453-V455 PolarHBondContact O-N 3.11Å; V455-W458 HydrophobicContact CB-CD2 4.2Å; V455-W458 HydrophobicContact CB-CE3 4.47Å; V455-W458 HydrophobicContact CB-CG 4.36Å; V455-W458 HydrophobicContact CG1-CD2 4.17Å; V455-W458 HydrophobicContact CG1-CE3 4.09Å; V455-W458 HydrophobicContact CG1-CH2 4.25Å; V455-W458 HydrophobicContact CG1-CZ2 4.32Å; V455-W458 HydrophobicContact CG1-CZ3 4.14Å
456A85.9Confident91.5Very high51 Ų5145.4 Ų45.442%0.42127%0.269SS..THydrogen-bonded Turntrans-67.5139.9175.100000111.2H453 W458H453-A456 WeakPolarHBondContact O-CB 3.43Å; H453-A456 PolarHBondContact O-N 2.77Å; A456-W458 VanDerWaalsContact O-CD1 3.32Å; A456-W458 PolarHBondContact O-N 3.2Å
457G85.9Confident91.4Very high45 Ų4542.7 Ų42.746%0.46426%0.262SS..THydrogen-bonded Turntrans70.92.3-179.200000116L459G457-L459 VanDerWaalsContact C-N 3.3Å; G457-L459 PolarHBondContact O-N 2.85Å
458W92.3Very high91.3Very high29 Ų2942.8 Ų42.811%0.1126%0.263CS..  trans-72.3-22.4178.6-76.333.8000113.6N415 V418 R419 N454 V455 A456 G460 R461 M465 L466N415-W458 HydrophobicContact CB-CB 4.24Å; N415-W458 WeakPolarHBondContact CB-O 3.37Å; V418-W458 HydrophobicContact CB-CZ3 4.4Å; V418-W458 HydrophobicContact CG1-CE3 4.31Å; V418-W458 HydrophobicContact CG1-CZ3 3.78Å; R419-W458 HydrophobicContact CB-CB 4.4Å; N454-W458 PolarHBondContact O-NE1 2.95Å; N454-W458 VanDerWaalsContact O-NE1 3.08Å; V455-W458 HydrophobicContact CB-CD2 4.2Å; V455-W458 HydrophobicContact CB-CE3 4.47Å; V455-W458 HydrophobicContact CB-CG 4.36Å; V455-W458 HydrophobicContact CG1-CD2 4.17Å; V455-W458 HydrophobicContact CG1-CE3 4.09Å; V455-W458 HydrophobicContact CG1-CH2 4.25Å; V455-W458 HydrophobicContact CG1-CZ2 4.32Å; V455-W458 HydrophobicContact CG1-CZ3 4.14Å; A456-W458 VanDerWaalsContact O-CD1 3.32Å; A456-W458 PolarHBondContact O-N 3.2Å; W458-G460 PolarHBondContact O-N 3.04Å; W458-R461 PolarHBondContact O-N 3.01Å; W458-R461 VanDerWaalsContact O-N 3.16Å; W458-M465 HydrophobicContact CD2-CB 3.8Å; W458-M465 HydrophobicContact CD2-CG 3.78Å; W458-M465 HydrophobicContact CE3-CB 3.66Å; W458-M465 HydrophobicContact CE3-CG 4.02Å; W458-M465 HydrophobicContact CG-CG 4.14Å; W458-M465 HydrophobicContact CH2-CB 3.64Å; W458-M465 HydrophobicContact CZ2-CB 3.77Å; W458-M465 HydrophobicContact CZ2-CE 4.4Å; W458-M465 HydrophobicContact CZ2-CG 4.43Å; W458-M465 HydrophobicContact CZ3-CB 3.58Å; W458-M465 HydrophobicContact CZ3-CG 4.43Å; W458-L466 HydrophobicContact CH2-CD2 3.69Å; W458-L466 HydrophobicContact CH2-CG 4.36Å; W458-L466 HydrophobicContact CZ3-CD2 4.04Å; W458-L466 HydrophobicContact CZ3-CG 4.26Å
459L89.8Confident91.2Very high5 Ų542 Ų423%0.02626%0.258CS..THydrogen-bonded Turntrans-62.8-47.6-167-159.6164.9000113L221 A222 A416 G457 R461 R672L221-L459 VanDerWaalsContact O-CD1 3.29Å; L221-L459 WeakPolarHBondContact O-CD1 3.22Å; A222-L459 WeakPolarHBondContact O-CD2 3.35Å; A416-L459 HydrophobicContact CB-CG 4.23Å; G457-L459 VanDerWaalsContact C-N 3.3Å; G457-L459 PolarHBondContact O-N 2.85Å; L459-R461 VanDerWaalsContact C-N 3.3Å; L459-R461 PolarHBondContact O-N 3.09Å; L459-R672 HydrophobicContact CD2-CB 3.71Å; L459-R672 HydrophobicContact CD2-CG 3.74Å
460G88.2Confident91.2Very high26 Ų2644.9 Ų44.927%0.26826%0.259SS..THydrogen-bonded Turntrans-83.99.2177.200000115.1W458 P667W458-G460 PolarHBondContact O-N 3.04Å; G460-P667 WeakPolarHBondContact O-CD 3.31Å
461R92.1Very high91.3Very high135 Ų13546.5 Ų46.551%0.50927%0.269SS..  trans-96.3130.5-179.4-67.3-174176.7-156.4-3.5111.4N415 W458 L459N415-R461 PolarHBondContact ND2-O 3.19Å; W458-R461 PolarHBondContact O-N 3.01Å; W458-R461 VanDerWaalsContact O-N 3.16Å; L459-R461 VanDerWaalsContact C-N 3.3Å; L459-R461 PolarHBondContact O-N 3.09Å
462G91.6Very high91.7Very high26 Ų2647.7 Ų47.727%0.26827%0.269SS..  trans-72.2-178.7166.500000113.3N415 G665N415-G462 PolarHBondContact ND2-O 3.3Å; G462-G665 VanDerWaalsContact CA-O 3.27Å; G462-G665 WeakPolarHBondContact CA-O 3.44Å
463G92.7Very high92.1Very high31 Ų3146.8 Ų46.832%0.3227%0.266SS..SBendtrans65-155.5-17900000113.7N415N415-G463 PolarHBondContact ND2-O 2.93Å
464S95.3Very high92.4Very high26 Ų2650.9 Ų50.918%0.18228%0.283CS..  trans-125.3115177.2179.10000111.1N406 L466 G467N406-S464 PolarHBondContact ND2-OG 3.05Å; S464-L466 PolarHBondContact O-N 3.5Å; S464-L466 PolarHBondContact OG-N 3.01Å; S464-G467 PolarHBondContact O-N 3.03Å; S464-G467 PolarHBondContact OG-N 3.31Å; S464-G467 PolarHBondContact OG-O 2.89Å
465M95.6Very high92.5Very high70 Ų7050.3 Ų50.335%0.34530%0.297SS..THydrogen-bonded Turntrans-68.9-17.7174.7-70.5-65.3-53.400113.3N415 W458N415-M465 WeakPolarHBondContact OD1-CB 3.13Å; N415-M465 WeakPolarHBondContact OD1-CG 3.35Å; N415-M465 PolarHBondContact OD1-N 3.27Å; W458-M465 HydrophobicContact CD2-CB 3.8Å; W458-M465 HydrophobicContact CD2-CG 3.78Å; W458-M465 HydrophobicContact CE3-CB 3.66Å; W458-M465 HydrophobicContact CE3-CG 4.02Å; W458-M465 HydrophobicContact CG-CG 4.14Å; W458-M465 HydrophobicContact CH2-CB 3.64Å; W458-M465 HydrophobicContact CZ2-CB 3.77Å; W458-M465 HydrophobicContact CZ2-CE 4.4Å; W458-M465 HydrophobicContact CZ2-CG 4.43Å; W458-M465 HydrophobicContact CZ3-CB 3.58Å; W458-M465 HydrophobicContact CZ3-CG 4.43Å
466L95.5Very high92.6Very high2 Ų253.1 Ų53.11%0.0131%0.31CS..THydrogen-bonded Turntrans-87.2-8.6174.2-61.9-174.7000113.1V418 V434 H436 D437 W458 S464V418-L466 HydrophobicContact CG1-CD1 4.19Å; V418-L466 HydrophobicContact CG2-CD1 4.22Å; V434-L466 HydrophobicContact CB-CD1 4.28Å; V434-L466 HydrophobicContact CB-CD2 3.65Å; V434-L466 HydrophobicContact CG1-CD1 4.41Å; V434-L466 HydrophobicContact CG1-CD2 3.99Å; V434-L466 HydrophobicContact CG2-CD2 4.01Å; H436-L466 WeakPolarHBondContact CA-O 3.34Å; H436-L466 PolarHBondContact ND1-O 3.1Å; D437-L466 PolarHBondContact N-O 3.44Å; D437-L466 VanDerWaalsContact N-O 3.07Å; W458-L466 HydrophobicContact CH2-CD2 3.69Å; W458-L466 HydrophobicContact CH2-CG 4.36Å; W458-L466 HydrophobicContact CZ3-CD2 4.04Å; W458-L466 HydrophobicContact CZ3-CG 4.26Å; S464-L466 PolarHBondContact O-N 3.5Å; S464-L466 PolarHBondContact OG-N 3.01Å
467G94.9Very high93.1Very high22 Ų2251.3 Ų51.323%0.22729%0.294CS..  trans74.7170.2-155.500000110.9S464S464-G467 PolarHBondContact O-N 3.03Å; S464-G467 PolarHBondContact OG-N 3.31Å; S464-G467 PolarHBondContact OG-O 2.89Å
468T95Very high93.6Very high22 Ų2255.8 Ų55.814%0.13530%0.302CS..  trans-163.3142.7175.4-1790000109.4N406 V407 G408 P410N406-T468 PolarHBondContact O-OG1 3.34Å; V407-T468 VanDerWaalsContact C-OG1 3.28Å; V407-T468 WeakPolarHBondContact CA-OG1 3.38Å; V407-T468 PolarHBondContact N-OG1 3.21Å; G408-T468 PolarHBondContact N-OG1 3.45Å; G408-T468 WeakPolarHBondContact O-CG2 3.42Å; G408-T468 PolarHBondContact O-OG1 3.32Å; P410-T468 HydrophobicContact CB-CG2 4.32Å; P410-T468 HydrophobicContact CG-CG2 3.75Å
469K94.5Very high93.8Very high84 Ų8456.7 Ų56.737%0.36531%0.313SS..BIsolated β-bridgetrans-134.5157.4-179.7-56.8-68.6175.2175.20109.6G408 D437 T471G408-K469 PolarHBondContact N-O 2.9Å; D437-K469 HydrophobicContact CB-CG 3.94Å; D437-K469 VanDerWaalsContact O-CG 3.31Å; D437-K469 WeakPolarHBondContact O-CG 3.31Å; D437-K469 WeakPolarHBondContact OD1-CE 3.27Å; D437-K469 IonicContact OD1-NZ 3.28Å; D437-K469 WeakPolarHBondContact OD2-CE 3.31Å; D437-K469 IonicContact OD2-NZ 3.75Å; K469-T471 VanDerWaalsContact C-N 3.28Å
470R94.9Very high94.2Very high149 Ų14956.4 Ų56.456%0.56231%0.312SS*.  trans-88.37.9172.7-62.9-177-176.6-152.77.9113L472 E499R470-L472 PolarHBondContact O-N 2.82Å; R470-E499 HydrophobicContact CB-CG 4.08Å; R470-E499 WeakPolarHBondContact CD-OE1 3.44Å; R470-E499 HydrophobicContact CG-CG 4.45Å; R470-E499 WeakPolarHBondContact CG-OE1 3.49Å; R470-E499 IonicContact NH1-OE1 3.91Å
471T95.4Very high94.6Very high46 Ų4655.5 Ų55.528%0.28230%0.301SS..  trans-66.4125.1-177.6-44.80000110.5F439 E440 K469F439-T471 WeakPolarHBondContact CD2-O 3.4Å; E440-T471 HydrophobicContact CB-CG2 4.1Å; E440-T471 HydrophobicContact CG-CG2 4.46Å; E440-T471 PolarHBondContact OE2-OG1 2.86Å; K469-T471 VanDerWaalsContact C-N 3.28Å
472L96.6Very high94.9Very high51 Ų5154.5 Ų54.527%0.26730%0.302SS..  trans-91.9147.7179.1-70.6167000111.3R470 K474 E499 E502R470-L472 PolarHBondContact O-N 2.82Å; L472-K474 VanDerWaalsContact C-N 3.33Å; L472-K474 PolarHBondContact O-N 2.89Å; L472-E499 HydrophobicContact CD2-CB 4.2Å; L472-E502 WeakPolarHBondContact CD1-OE1 3.32Å; L472-E502 HydrophobicContact CD2-CB 4.13Å; L472-E502 HydrophobicContact CD2-CG 4.35Å
473P94.8Very high95.2Very high0 Ų054.3 Ų54.30%030%0.295CS..G310 helixtrans-70.3-22.3-171.227.4-34.7000114.5F439 G475 Q476 L477 I480 G503 Q506 L507F439-P473 HydrophobicContact CB-CB 4.47Å; F439-P473 HydrophobicContact CD1-CB 4.27Å; F439-P473 HydrophobicContact CD2-CG 4.43Å; F439-P473 HydrophobicContact CE2-CG 4.46Å; F439-P473 HydrophobicContact CG-CB 4.24Å; F439-P473 HydrophobicContact CG-CG 4.46Å; P473-G475 PolarHBondContact O-N 3.28Å; P473-Q476 CarbonylContact O-C 3.56Å; P473-Q476 PolarHBondContact O-N 3.3Å; P473-L477 HydrophobicContact CB-CD2 4.24Å; P473-L477 WeakPolarHBondContact O-CG 3.31Å; P473-L477 PolarHBondContact O-N 3.16Å; P473-L477 VanDerWaalsContact O-N 3.1Å; P473-I480 HydrophobicContact CB-CD1 3.56Å; P473-G503 WeakPolarHBondContact CG-O 3.43Å; P473-Q506 HydrophobicContact CG-CB 4.05Å; P473-L507 HydrophobicContact CB-CD2 3.88Å; P473-L507 HydrophobicContact CB-CG 4.35Å; P473-L507 HydrophobicContact CG-CD2 4.15Å; P473-L507 HydrophobicContact CG-CG 4.11Å
474K90.4Very high95.4Very high160 Ų16053.1 Ų53.170%0.69628%0.281SS*.G310 helixtrans-49.2-34.8-175.3-175.9174.2-177.4178.90115.1L472 Q506L472-K474 VanDerWaalsContact C-N 3.33Å; L472-K474 PolarHBondContact O-N 2.89Å; K474-Q506 VanDerWaalsContact CB-OE1 3.28Å; K474-Q506 VanDerWaalsContact N-OE1 3.16Å
475G89.6Confident95.4Very high76 Ų7659.4 Ų59.478%0.78430%0.301SS*.G310 helixtrans-83.9-7.4179.700000115.4P473P473-G475 PolarHBondContact O-N 3.28Å
476Q94.1Very high95.5Very high59 Ų5960.8 Ų60.828%0.27631%0.313SS..SBendtrans-13821.4-173-63.9-178.5-45.500112.4A443 P473 E478 S479 I480A443-Q476 HydrophobicContact CB-CB 3.78Å; A443-Q476 HydrophobicContact CB-CG 4.31Å; P473-Q476 CarbonylContact O-C 3.56Å; P473-Q476 PolarHBondContact O-N 3.3Å; Q476-E478 VanDerWaalsContact C-N 3.31Å; Q476-E478 PolarHBondContact O-N 3.45Å; Q476-S479 PolarHBondContact O-N 3.37Å; Q476-I480 HydrophobicContact CB-CD1 4.37Å; Q476-I480 WeakPolarHBondContact O-CG1 3.34Å; Q476-I480 PolarHBondContact O-N 2.79Å
477L95.1Very high95.5Very high13 Ų1363.9 Ų63.97%0.06833%0.325CS..Hα-helixtrans-55.2-42.4-173.9-77.6173.5000113.2P473 I480 V481 L507 A510 Y514P473-L477 HydrophobicContact CB-CD2 4.24Å; P473-L477 WeakPolarHBondContact O-CG 3.31Å; P473-L477 PolarHBondContact O-N 3.16Å; P473-L477 VanDerWaalsContact O-N 3.1Å; L477-I480 PolarHBondContact O-N 3.44Å; L477-V481 WeakPolarHBondContact O-CB 3.38Å; L477-V481 VanDerWaalsContact O-CG2 3.27Å; L477-V481 WeakPolarHBondContact O-CG2 3.44Å; L477-V481 PolarHBondContact O-N 3.33Å; L477-L507 HydrophobicContact CD2-CD2 3.74Å; L477-A510 HydrophobicContact CD1-CB 4.16Å; L477-A510 HydrophobicContact CD2-CB 4.29Å; L477-Y514 HydrophobicContact CB-CE2 4.27Å
478E96.6Very high95.5Very high139 Ų13964.4 Ų64.465%0.6533%0.33SS*.Hα-helixtrans-61.9-48.8-178.1-68.8171.3-167.700111.6Q476 I480 V481 E482 Y514Q476-E478 VanDerWaalsContact C-N 3.31Å; Q476-E478 PolarHBondContact O-N 3.45Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 3.28Å; E478-V481 PolarHBondContact O-N 2.83Å; E478-E482 WeakPolarHBondContact O-CB 3.3Å; E478-E482 PolarHBondContact O-N 3.01Å; E478-Y514 WeakPolarHBondContact CG-OH 3.35Å
479S97.3Very high95.6Very high48 Ų4863.6 Ų63.634%0.33633%0.325SS..Hα-helixtrans-68.1-31.6177.2-45.70000112.9A443 Q476 N483A443-S479 WeakPolarHBondContact O-CB 3.43Å; Q476-S479 PolarHBondContact O-N 3.37Å; S479-N483 WeakPolarHBondContact O-CB 3.47Å; S479-N483 PolarHBondContact O-N 3.28Å; S479-N483 PolarHBondContact O-ND2 3.41Å
480I97.5Very high95.7Very high0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-66.8-45172.9-71169.9000110.4F439 L442 A443 P473 Q476 L477 E478 N483 I484 L507F439-I480 HydrophobicContact CB-CD1 4.22Å; L442-I480 HydrophobicContact CD2-CG2 3.85Å; L442-I480 HydrophobicContact CG-CG1 4.39Å; L442-I480 HydrophobicContact CG-CG2 4.24Å; A443-I480 HydrophobicContact CB-CG1 3.91Å; P473-I480 HydrophobicContact CB-CD1 3.56Å; Q476-I480 HydrophobicContact CB-CD1 4.37Å; Q476-I480 WeakPolarHBondContact O-CG1 3.34Å; Q476-I480 PolarHBondContact O-N 2.79Å; L477-I480 PolarHBondContact O-N 3.44Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 3.28Å; I480-N483 PolarHBondContact O-N 3.41Å; I480-I484 HydrophobicContact CG2-CD1 3.8Å; I480-I484 WeakPolarHBondContact O-CB 3.43Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.35Å; I480-I484 PolarHBondContact O-N 2.99Å; I480-L507 HydrophobicContact CG2-CD2 4.28Å
481V97.5Very high95.9Very high7 Ų754.7 Ų54.74%0.04229%0.291CS..Hα-helixtrans-62.9-44.2177.11610000111.4L477 E478 I484 R485 Y514 E516 L517L477-V481 WeakPolarHBondContact O-CB 3.38Å; L477-V481 VanDerWaalsContact O-CG2 3.27Å; L477-V481 WeakPolarHBondContact O-CG2 3.44Å; L477-V481 PolarHBondContact O-N 3.33Å; E478-V481 PolarHBondContact O-N 2.83Å; V481-I484 PolarHBondContact O-N 2.78Å; V481-R485 PolarHBondContact O-N 3.19Å; V481-Y514 HydrophobicContact CB-CD1 4.47Å; V481-Y514 HydrophobicContact CG1-CD1 3.98Å; V481-Y514 HydrophobicContact CG1-CG 4.33Å; V481-Y514 HydrophobicContact CG2-CD1 4.08Å; V481-Y514 HydrophobicContact CG2-CD2 4.05Å; V481-Y514 HydrophobicContact CG2-CG 3.7Å; V481-E516 HydrophobicContact CG1-CB 3.96Å; V481-E516 HydrophobicContact CG1-CG 3.92Å; V481-L517 HydrophobicContact CG2-CD1 4.02Å; V481-L517 HydrophobicContact CG2-CD2 3.9Å; V481-L517 HydrophobicContact CG2-CG 3.84Å
482E97.4Very high96Very high114 Ų11452.5 Ų52.553%0.53328%0.278SS..Hα-helixtrans-58.3-49.8174.7-177.4174.3-157.900111.3E478 I484 R485 V486E478-E482 WeakPolarHBondContact O-CB 3.3Å; E478-E482 PolarHBondContact O-N 3.01Å; E482-I484 PolarHBondContact O-N 2.88Å; E482-R485 WeakPolarHBondContact O-CB 3.29Å; E482-R485 PolarHBondContact O-N 3.31Å; E482-R485 VanDerWaalsContact O-N 3.12Å; E482-V486 HydrophobicContact CG-CG2 4.35Å; E482-V486 WeakPolarHBondContact O-CG2 3.45Å; E482-V486 PolarHBondContact O-N 2.96Å
483N97.7Very high96.1Very high21 Ų2150.1 Ų50.111%0.11227%0.265CS..Hα-helixtrans-66.6-37.4178.8-76.5-62.6000112.7L442 A443 S479 I480 R485 V486 Y487L442-N483 HydrophobicContact CD1-CB 4.44Å; L442-N483 WeakPolarHBondContact O-CB 3.45Å; L442-N483 PolarHBondContact O-ND2 2.61Å; L442-N483 VanDerWaalsContact O-ND2 3.09Å; A443-N483 PolarHBondContact O-ND2 3.32Å; A443-N483 VanDerWaalsContact O-ND2 3.11Å; S479-N483 WeakPolarHBondContact O-CB 3.47Å; S479-N483 PolarHBondContact O-N 3.28Å; S479-N483 PolarHBondContact O-ND2 3.41Å; I480-N483 PolarHBondContact O-N 3.41Å; N483-R485 PolarHBondContact O-N 3.3Å; N483-V486 PolarHBondContact O-N 3.34Å; N483-Y487 HydrophobicContact CB-CD2 4.2Å; N483-Y487 HydrophobicContact CB-CE2 4.31Å; N483-Y487 VanDerWaalsContact O-CD2 3.26Å; N483-Y487 WeakPolarHBondContact O-CD2 3.47Å; N483-Y487 PolarHBondContact O-N 3.41Å
484I97.1Very high96.3Very high6 Ų650.1 Ų50.13%0.03127%0.265CS..Hα-helixtrans-57.1-41171.3-74.4167.6000110.7I480 V481 E482 G488 I489 E516 L517 I519I480-I484 HydrophobicContact CG2-CD1 3.8Å; I480-I484 WeakPolarHBondContact O-CB 3.43Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.35Å; I480-I484 PolarHBondContact O-N 2.99Å; V481-I484 PolarHBondContact O-N 2.78Å; E482-I484 PolarHBondContact O-N 2.88Å; I484-G488 CarbonylContact O-C 3.53Å; I484-G488 WeakPolarHBondContact O-CA 3.47Å; I484-G488 PolarHBondContact O-N 3.27Å; I484-G488 VanDerWaalsContact O-N 3.09Å; I484-I489 HydrophobicContact CG1-CD1 4.41Å; I484-I489 HydrophobicContact CG2-CB 4.33Å; I484-I489 PolarHBondContact O-N 3.26Å; I484-E516 HydrophobicContact CG2-CB 4.19Å; I484-L517 HydrophobicContact CD1-CD2 3.68Å; I484-I519 HydrophobicContact CD1-CD1 4.21Å; I484-I519 HydrophobicContact CG2-CD1 4.46Å
485R96.2Very high96.7Very high159 Ų15942.5 Ų42.560%0.623%0.232SC*.Hα-helixtrans-68.5-47175.4-163.1-168.7-70.9157.3-5.9112.4V481 E482 N483 G488 E516V481-R485 PolarHBondContact O-N 3.19Å; E482-R485 WeakPolarHBondContact O-CB 3.29Å; E482-R485 PolarHBondContact O-N 3.31Å; E482-R485 VanDerWaalsContact O-N 3.12Å; N483-R485 PolarHBondContact O-N 3.3Å; R485-G488 PolarHBondContact O-N 3.33Å; R485-G488 VanDerWaalsContact O-N 3.14Å; R485-E516 HydrophobicContact CB-CG 4.19Å; R485-E516 IonicContact CZ-OE1 3.4Å; R485-E516 IonicContact NE-OE1 3.13Å; R485-E516 PolarHBondContact NE-OE1 2.67Å; R485-E516 IonicContact NH2-OE1 3.97Å; R485-E516 PolarHBondContact NH2-OE1 2.81Å
486V96.5Very high97.1Very high99 Ų9938.9 Ų38.960%0.619%0.194SC*.Hα-helixtrans-64.4-45.5-176.7167.90000112.4E482 N483 G488E482-V486 HydrophobicContact CG-CG2 4.35Å; E482-V486 WeakPolarHBondContact O-CG2 3.45Å; E482-V486 PolarHBondContact O-N 2.96Å; N483-V486 PolarHBondContact O-N 3.34Å; V486-G488 PolarHBondContact O-N 3.17Å
487Y95.8Very high97.2Very high67 Ų6736.2 Ų36.226%0.26318%0.183SC..THydrogen-bonded Turntrans-84.30.9175.3-63.4-76.5000112.7Y433 G445 V447 N483 I489Y433-Y487 HydrophobicContact CE1-CD1 4.31Å; G445-Y487 PolarHBondContact O-OH 2.9Å; G445-Y487 VanDerWaalsContact O-OH 3.12Å; V447-Y487 HydrophobicContact CB-CD1 4.17Å; V447-Y487 HydrophobicContact CB-CD2 4.04Å; V447-Y487 HydrophobicContact CB-CE1 3.95Å; V447-Y487 HydrophobicContact CB-CE2 3.85Å; V447-Y487 HydrophobicContact CB-CG 4.22Å; V447-Y487 HydrophobicContact CG1-CD1 4.04Å; V447-Y487 HydrophobicContact CG1-CD2 4.28Å; V447-Y487 HydrophobicContact CG1-CE1 4.29Å; V447-Y487 HydrophobicContact CG1-CG 4.04Å; V447-Y487 HydrophobicContact CG2-CD2 3.81Å; V447-Y487 HydrophobicContact CG2-CE2 3.68Å; V447-Y487 HydrophobicContact CG2-CG 4.4Å; N483-Y487 HydrophobicContact CB-CD2 4.2Å; N483-Y487 HydrophobicContact CB-CE2 4.31Å; N483-Y487 VanDerWaalsContact O-CD2 3.26Å; N483-Y487 WeakPolarHBondContact O-CD2 3.47Å; N483-Y487 PolarHBondContact O-N 3.41Å; Y487-I489 VanDerWaalsContact C-N 3.27Å; Y487-I489 PolarHBondContact O-N 2.97Å
488G95.4Very high97.4Very high32 Ų3235.6 Ų35.633%0.3318%0.18SC..THydrogen-bonded Turntrans5438.9179.600000113.4S401 I484 R485 V486 H490S401-G488 PolarHBondContact OG-O 3.41Å; I484-G488 CarbonylContact O-C 3.53Å; I484-G488 WeakPolarHBondContact O-CA 3.47Å; I484-G488 PolarHBondContact O-N 3.27Å; I484-G488 VanDerWaalsContact O-N 3.09Å; R485-G488 PolarHBondContact O-N 3.33Å; R485-G488 VanDerWaalsContact O-N 3.14Å; V486-G488 PolarHBondContact O-N 3.17Å; G488-H490 PolarHBondContact O-CE1 2.63Å; G488-H490 PolarHBondContact O-N 3.45Å; G488-H490 PolarHBondContact O-ND1 2.94Å
489I97Very high97.4Very high5 Ų529.4 Ų29.43%0.02615%0.151CC..  trans-69.1123.1-171.8-66.3165.1000109.8A403 Y433 L442 I484 Y487 A491 I519A403-I489 HydrophobicContact CB-CD1 3.73Å; A403-I489 HydrophobicContact CB-CG1 4.15Å; A403-I489 HydrophobicContact CB-CG2 3.9Å; Y433-I489 HydrophobicContact CD2-CG1 4.35Å; L442-I489 HydrophobicContact CD1-CD1 4.27Å; I484-I489 HydrophobicContact CG1-CD1 4.41Å; I484-I489 HydrophobicContact CG2-CB 4.33Å; I484-I489 PolarHBondContact O-N 3.26Å; Y487-I489 VanDerWaalsContact C-N 3.27Å; Y487-I489 PolarHBondContact O-N 2.97Å; I489-A491 VanDerWaalsContact CG2-O 3.27Å; I489-A491 WeakPolarHBondContact CG2-O 2.99Å; I489-I519 HydrophobicContact CG2-CD1 4.47Å; I489-I519 WeakPolarHBondContact O-CG2 3.4Å
490H97.5Very high97.5Very high47 Ų4727.1 Ų27.122%0.21814%0.135CC..  trans-97.2-19.8-178.4-62.988.7000113.8F400 S401 G488 I519 V520 L690 V699F400-H490 HydrophobicContact CD1-CB 4.47Å; S401-H490 PolarHBondContact N-ND1 2.91Å; S401-H490 WeakPolarHBondContact O-CA 3.47Å; S401-H490 WeakPolarHBondContact O-CB 3.46Å; S401-H490 PolarHBondContact O-N 3.33Å; S401-H490 PolarHBondContact OG-ND1 2.91Å; G488-H490 PolarHBondContact O-CE1 2.63Å; G488-H490 PolarHBondContact O-N 3.45Å; G488-H490 PolarHBondContact O-ND1 2.94Å; H490-I519 VanDerWaalsContact O-CB 3.29Å; H490-I519 WeakPolarHBondContact O-CB 3.45Å; H490-V520 PolarHBondContact O-N 3.11Å; H490-L690 HydrophobicContact CB-CD2 3.84Å; H490-L690 WeakPolarHBondContact O-CD2 3.36Å; H490-V699 HydrophobicContact CB-CG2 4.18Å
491A98Very high97.5Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-153.8155.5174.900000113.2S401 L402 A403 I489 V520 L686 L690S401-A491 PolarHBondContact O-N 2.76Å; L402-A491 WeakPolarHBondContact CA-O 3.45Å; L402-A491 HydrophobicContact CD2-CB 3.76Å; L402-A491 HydrophobicContact CG-CB 3.96Å; A403-A491 PolarHBondContact N-O 3.1Å; I489-A491 VanDerWaalsContact CG2-O 3.27Å; I489-A491 WeakPolarHBondContact CG2-O 2.99Å; A491-V520 CarbonylContact C-O 3.58Å; A491-V520 WeakPolarHBondContact CA-O 3.48Å; A491-V520 HydrophobicContact CB-CB 4.07Å; A491-V520 VanDerWaalsContact CB-O 3.27Å; A491-V520 WeakPolarHBondContact CB-O 3.34Å; A491-L686 HydrophobicContact CB-CD2 4.19Å; A491-L690 HydrophobicContact CB-CD1 4.01Å; A491-L690 HydrophobicContact CB-CD2 4.2Å; A491-L690 HydrophobicContact CB-CG 4.28Å
492L98.4Very high97.5Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-124.8125.9-174.6-162.769.5000111.1A403 L405 F439 L442 V494 L507 I519 V520 M521 C522A403-L492 HydrophobicContact CB-CD1 3.94Å; L405-L492 HydrophobicContact CD2-CD1 3.37Å; L405-L492 HydrophobicContact CD2-CD2 4.29Å; L405-L492 HydrophobicContact CD2-CG 3.76Å; F439-L492 HydrophobicContact CE1-CD2 4.35Å; L442-L492 HydrophobicContact CD2-CD1 4.42Å; L492-V494 HydrophobicContact CD2-CG2 3.96Å; L492-V494 HydrophobicContact CG-CG2 4.01Å; L492-L507 HydrophobicContact CD2-CD1 3.74Å; L492-I519 HydrophobicContact CB-CD1 4.18Å; L492-V520 PolarHBondContact N-O 2.98Å; L492-M521 HydrophobicContact CB-CG 4.2Å; L492-M521 CarbonylContact O-C 3.56Å; L492-M521 WeakPolarHBondContact O-CA 3.42Å; L492-C522 PolarHBondContact O-N 3.49Å
493L98.8Very high97.5Very high0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-112.5114.6171.8-177.365.1000109.6A403 I404 L405 A421 C522 I524 A682 M683 L686A403-L493 PolarHBondContact O-N 3.48Å; I404-L493 WeakPolarHBondContact CA-O 3.4Å; I404-L493 HydrophobicContact CD1-CD2 4.29Å; I404-L493 HydrophobicContact CG1-CB 4.17Å; I404-L493 HydrophobicContact CG1-CD2 4.26Å; I404-L493 HydrophobicContact CG2-CB 4.39Å; I404-L493 HydrophobicContact CG2-CD2 4.18Å; I404-L493 HydrophobicContact CG2-CG 4.39Å; L405-L493 PolarHBondContact N-O 3.12Å; A421-L493 HydrophobicContact CB-CD2 3.44Å; A421-L493 VanDerWaalsContact CB-CD2 3.44Å; L493-C522 WeakPolarHBondContact CA-O 3.32Å; L493-C522 HydrophobicContact CD1-CB 3.8Å; L493-I524 HydrophobicContact CD1-CD1 3.9Å; L493-I524 HydrophobicContact CD1-CG1 4Å; L493-I524 HydrophobicContact CD2-CD1 4.27Å; L493-I524 HydrophobicContact CG-CD1 4.4Å; L493-A682 HydrophobicContact CD1-CB 3.82Å; L493-M683 HydrophobicContact CD2-CE 4.42Å; L493-L686 HydrophobicContact CB-CD1 4.04Å; L493-L686 HydrophobicContact CD1-CD1 4.24Å
494V98.7Very high97.6Very high0 Ų022.5 Ų22.50%011%0.112CC..EExtended strand (participates in β ladder)trans-108.8118.9-178.8-165.50000109.2L405 V407 F439 L492 A500 V504 C522 V523 I524L405-V494 HydrophobicContact CD2-CG2 3.98Å; L405-V494 HydrophobicContact CG-CG1 4.24Å; L405-V494 HydrophobicContact CG-CG2 4.3Å; L405-V494 WeakPolarHBondContact O-CA 3.28Å; V407-V494 HydrophobicContact CB-CG1 3.98Å; V407-V494 HydrophobicContact CG2-CG1 3.63Å; F439-V494 HydrophobicContact CZ-CG1 4.25Å; F439-V494 HydrophobicContact CZ-CG2 4.31Å; L492-V494 HydrophobicContact CD2-CG2 3.96Å; L492-V494 HydrophobicContact CG-CG2 4.01Å; V494-A500 HydrophobicContact CB-CB 4.46Å; V494-A500 HydrophobicContact CG1-CB 3.6Å; V494-V504 HydrophobicContact CB-CG2 4.17Å; V494-V504 HydrophobicContact CG2-CG2 3.5Å; V494-C522 PolarHBondContact N-O 2.88Å; V494-V523 CarbonylContact O-C 3.57Å; V494-V523 VanDerWaalsContact O-CA 3.29Å; V494-V523 WeakPolarHBondContact O-CA 3.45Å; V494-I524 PolarHBondContact O-N 3.23Å
495V98.7Very high97.6Very high0 Ų022.5 Ų22.50%011%0.112CC..EExtended strand (participates in β ladder)trans-102.4116.1176.1-169.60000108.5L405 N406 V407 M414 A417 V418 I524 A526 L539L405-V495 PolarHBondContact O-N 3.06Å; N406-V495 VanDerWaalsContact CA-O 3.24Å; N406-V495 WeakPolarHBondContact CA-O 3.35Å; V407-V495 PolarHBondContact N-O 3.41Å; M414-V495 HydrophobicContact CB-CG1 4.36Å; M414-V495 HydrophobicContact CG-CG1 4.05Å; A417-V495 HydrophobicContact CB-CG1 4.28Å; V418-V495 HydrophobicContact CG2-CG2 4.12Å; V495-I524 WeakPolarHBondContact CA-O 3.43Å; V495-I524 HydrophobicContact CB-CB 4.47Å; V495-I524 HydrophobicContact CG1-CB 4.18Å; V495-I524 HydrophobicContact CG1-CG2 4.05Å; V495-I524 HydrophobicContact CG2-CB 4.27Å; V495-I524 HydrophobicContact CG2-CD1 4.29Å; V495-A526 HydrophobicContact CG1-CB 3.89Å; V495-L539 HydrophobicContact CG1-CD1 4.48Å
496G98Very high97.7Very high0 Ų016.1 Ų16.10%09%0.089CC..EExtended strand (participates in β ladder)trans172.1-179.9-172.800000118.4V407 I524 P525 A526V407-G496 WeakPolarHBondContact O-CA 3.45Å; G496-I524 PolarHBondContact N-O 3.39Å; G496-P525 CarbonylContact O-C 3.5Å; G496-P525 WeakPolarHBondContact O-CA 3.45Å; G496-A526 CarbonylContact C-O 3.47Å; G496-A526 PolarHBondContact O-N 3.21Å
497G97.2Very high97.7Very high3 Ų311.4 Ų11.43%0.0316%0.061CC..SBendtrans-82.1-152.1-176.400000113.1V407 E499 A500 Y501 A526V407-G497 PolarHBondContact O-N 2.86Å; G497-E499 VanDerWaalsContact C-N 3.26Å; G497-E499 PolarHBondContact O-N 2.86Å; G497-A500 VanDerWaalsContact O-CB 3.31Å; G497-A500 WeakPolarHBondContact O-CB 3.38Å; G497-A500 PolarHBondContact O-N 3Å; G497-Y501 PolarHBondContact O-N 2.74Å; G497-A526 WeakPolarHBondContact CA-O 3.46Å; G497-A526 PolarHBondContact N-O 3.18Å
498F97.8Very high97.8Very high1 Ų19.1 Ų9.10%0.0045%0.053CC..Hα-helixtrans-56.9-38.4-180-165.2-86.7000112.6A500 Y501 E502 T729 F731 R734F498-A500 PolarHBondContact O-N 2.7Å; F498-Y501 HydrophobicContact CD2-CD1 4.44Å; F498-Y501 HydrophobicContact CE2-CD1 4.25Å; F498-Y501 HydrophobicContact CE2-CE1 4.37Å; F498-Y501 HydrophobicContact CZ-CD1 4.43Å; F498-Y501 HydrophobicContact CZ-CE1 4.42Å; F498-Y501 PolarHBondContact O-N 3.24Å; F498-E502 HydrophobicContact CD1-CB 4.35Å; F498-E502 HydrophobicContact CE1-CB 4.27Å; F498-E502 WeakPolarHBondContact O-CB 3.2Å; F498-E502 PolarHBondContact O-N 2.72Å; F498-T729 HydrophobicContact CE2-CG2 3.74Å; F498-T729 HydrophobicContact CZ-CG2 3.59Å; F498-F731 HydrophobicContact CE1-CD1 4.04Å; F498-F731 AromaticContact CZ-CD1 3.83Å; F498-F731 HydrophobicContact CZ-CD1 3.83Å; F498-F731 HydrophobicContact CZ-CE1 4.23Å; F498-F731 HydrophobicContact CZ-CG 4.45Å; F498-R734 HydrophobicContact CB-CB 4.5Å; F498-R734 HydrophobicContact CD1-CB 3.84Å; F498-R734 HydrophobicContact CD1-CG 3.89Å; F498-R734 VanDerWaalsContact CD2-C 3.5Å; F498-R734 HydrophobicContact CD2-CB 3.97Å; F498-R734 WeakPolarHBondContact CD2-O 3.38Å; F498-R734 HydrophobicContact CE1-CB 3.98Å; F498-R734 HydrophobicContact CE1-CG 3.87Å; F498-R734 VanDerWaalsContact CE2-C 3.41Å; F498-R734 HydrophobicContact CE2-CB 4.1Å; F498-R734 HydrophobicContact CG-CB 3.84Å; F498-R734 HydrophobicContact CG-CG 4.39Å; F498-R734 HydrophobicContact CZ-CB 4.11Å; F498-R734 HydrophobicContact CZ-CG 4.35Å
499E97.8Very high97.8Very high9 Ų912.5 Ų12.54%0.0426%0.06CC..Hα-helixtrans-62.4-26.3175.6-67.689.4163.800113.9V407 R470 L472 G497 G503 R734V407-E499 HydrophobicContact CG1-CB 3.85Å; R470-E499 HydrophobicContact CB-CG 4.08Å; R470-E499 WeakPolarHBondContact CD-OE1 3.44Å; R470-E499 HydrophobicContact CG-CG 4.45Å; R470-E499 WeakPolarHBondContact CG-OE1 3.49Å; R470-E499 IonicContact NH1-OE1 3.91Å; L472-E499 HydrophobicContact CD2-CB 4.2Å; G497-E499 VanDerWaalsContact C-N 3.26Å; G497-E499 PolarHBondContact O-N 2.86Å; E499-G503 WeakPolarHBondContact O-CA 3.43Å; E499-G503 PolarHBondContact O-N 3.1Å; E499-R734 IonicContact OE1-CZ 3.92Å; E499-R734 IonicContact OE1-NH1 3.86Å; E499-R734 PolarHBondContact OE1-NH1 2.82Å; E499-R734 IonicContact OE1-NH2 3.75Å; E499-R734 PolarHBondContact OE1-NH2 3.5Å; E499-R734 IonicContact OE2-CZ 2.83Å; E499-R734 IonicContact OE2-NH2 3.7Å; E499-R734 PolarHBondContact OE2-NH2 2.78Å
500A98Very high97.8Very high0 Ų012.2 Ų12.20%06%0.059CC..Hα-helixtrans-72.1-46.3174.900000111.2V407 V494 G497 F498 V504 V523V407-A500 HydrophobicContact CB-CB 4.03Å; V407-A500 HydrophobicContact CG1-CB 4.34Å; V494-A500 HydrophobicContact CB-CB 4.46Å; V494-A500 HydrophobicContact CG1-CB 3.6Å; G497-A500 VanDerWaalsContact O-CB 3.31Å; G497-A500 WeakPolarHBondContact O-CB 3.38Å; G497-A500 PolarHBondContact O-N 3Å; F498-A500 PolarHBondContact O-N 2.7Å; A500-V504 WeakPolarHBondContact O-CG2 3Å; A500-V504 PolarHBondContact O-N 3.24Å; A500-V523 HydrophobicContact CB-CG1 4.07Å
501Y98.1Very high97.7Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-61.8-51.4175.2160.5-114.5000111.6G497 F498 G503 V504 L505 P533 V709 V722 L725 K726 T729 F731G497-Y501 PolarHBondContact O-N 2.74Å; F498-Y501 HydrophobicContact CD2-CD1 4.44Å; F498-Y501 HydrophobicContact CE2-CD1 4.25Å; F498-Y501 HydrophobicContact CE2-CE1 4.37Å; F498-Y501 HydrophobicContact CZ-CD1 4.43Å; F498-Y501 HydrophobicContact CZ-CE1 4.42Å; F498-Y501 PolarHBondContact O-N 3.24Å; Y501-G503 VanDerWaalsContact C-N 3.34Å; Y501-G503 PolarHBondContact O-N 3.18Å; Y501-V504 PolarHBondContact O-N 2.73Å; Y501-L505 WeakPolarHBondContact O-CB 3.24Å; Y501-L505 PolarHBondContact O-N 2.71Å; Y501-P533 HydrophobicContact CD1-CG 4.33Å; Y501-P533 HydrophobicContact CE1-CG 3.9Å; Y501-V709 HydrophobicContact CD2-CG2 3.82Å; Y501-V709 HydrophobicContact CE2-CG2 4.44Å; Y501-V722 HydrophobicContact CD2-CB 4.35Å; Y501-V722 HydrophobicContact CD2-CG1 4.17Å; Y501-V722 HydrophobicContact CE2-CB 4.06Å; Y501-V722 HydrophobicContact CE2-CG1 4.34Å; Y501-L725 HydrophobicContact CE2-CB 3.98Å; Y501-L725 HydrophobicContact CE2-CD1 4.27Å; Y501-L725 PolarHBondContact OH-O 3.45Å; Y501-K726 WeakPolarHBondContact OH-CA 3.35Å; Y501-K726 PolarHBondContact OH-N 3.01Å; Y501-K726 VanDerWaalsContact OH-N 3.14Å; Y501-T729 HydrophobicContact CE1-CG2 3.96Å; Y501-T729 PolarHBondContact OH-OG1 3.13Å; Y501-F731 HydrophobicContact CE1-CE1 4.31Å; Y501-F731 HydrophobicContact CE1-CZ 4.39Å
502E97.9Very high97.5Very high45 Ų4514.5 Ų14.521%0.219%0.091CC..Hα-helixtrans-62.7-41178.3-166.2-165.7150.300111.4L472 F498 L505 Q506 F731L472-E502 WeakPolarHBondContact CD1-OE1 3.32Å; L472-E502 HydrophobicContact CD2-CB 4.13Å; L472-E502 HydrophobicContact CD2-CG 4.35Å; F498-E502 HydrophobicContact CD1-CB 4.35Å; F498-E502 HydrophobicContact CE1-CB 4.27Å; F498-E502 WeakPolarHBondContact O-CB 3.2Å; F498-E502 PolarHBondContact O-N 2.72Å; E502-L505 WeakPolarHBondContact O-CB 3.39Å; E502-L505 PolarHBondContact O-N 3.07Å; E502-Q506 WeakPolarHBondContact O-CG 3.25Å; E502-Q506 PolarHBondContact O-N 3.34Å; E502-Q506 PolarHBondContact OE1-NE2 3.09Å; E502-F731 HydrophobicContact CG-CE1 4.38Å
503G97.7Very high97.3Very high0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-62.1-45177.100000112.9P473 E499 Y501 Q506 L507P473-G503 WeakPolarHBondContact CG-O 3.43Å; E499-G503 WeakPolarHBondContact O-CA 3.43Å; E499-G503 PolarHBondContact O-N 3.1Å; Y501-G503 VanDerWaalsContact C-N 3.34Å; Y501-G503 PolarHBondContact O-N 3.18Å; G503-Q506 PolarHBondContact O-N 3.15Å; G503-L507 WeakPolarHBondContact O-CG 3.26Å; G503-L507 PolarHBondContact O-N 2.96Å
504V98.3Very high97.2Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-65.6-38.3174.7171.30000111.5F439 V494 A500 Y501 Q506 L507 V508 M521 V523 V722F439-V504 HydrophobicContact CZ-CG2 4.47Å; V494-V504 HydrophobicContact CB-CG2 4.17Å; V494-V504 HydrophobicContact CG2-CG2 3.5Å; A500-V504 WeakPolarHBondContact O-CG2 3Å; A500-V504 PolarHBondContact O-N 3.24Å; Y501-V504 PolarHBondContact O-N 2.73Å; V504-Q506 VanDerWaalsContact C-N 3.34Å; V504-Q506 PolarHBondContact O-N 2.79Å; V504-L507 PolarHBondContact O-N 2.99Å; V504-V508 HydrophobicContact CG1-CG2 4.39Å; V504-V508 WeakPolarHBondContact O-CG2 3.26Å; V504-V508 PolarHBondContact O-N 3.47Å; V504-M521 HydrophobicContact CG1-CB 3.88Å; V504-M521 HydrophobicContact CG1-SD 3.94Å; V504-V523 HydrophobicContact CB-CG2 3.71Å; V504-V523 HydrophobicContact CG1-CG2 4.07Å; V504-V523 HydrophobicContact CG2-CG2 3.51Å; V504-V722 HydrophobicContact CG1-CG1 4.04Å; V504-V722 HydrophobicContact CG1-CG2 4.41Å
505L98Very high97Very high5 Ų529.1 Ų29.13%0.02615%0.151CC..Hα-helixtrans-59.2-44.1173179.761.6000111.7Y501 E502 L507 V508 E509 V722 T723 K726 F731Y501-L505 WeakPolarHBondContact O-CB 3.24Å; Y501-L505 PolarHBondContact O-N 2.71Å; E502-L505 WeakPolarHBondContact O-CB 3.39Å; E502-L505 PolarHBondContact O-N 3.07Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.35Å; L505-V508 PolarHBondContact O-N 3.18Å; L505-E509 HydrophobicContact CD1-CG 4.36Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 3.4Å; L505-V722 HydrophobicContact CB-CG2 4.48Å; L505-V722 HydrophobicContact CD1-CB 4.49Å; L505-V722 HydrophobicContact CD1-CG2 4.15Å; L505-T723 HydrophobicContact CD1-CG2 4.1Å; L505-K726 HydrophobicContact CD2-CB 4.4Å; L505-K726 HydrophobicContact CD2-CD 4.13Å; L505-K726 HydrophobicContact CD2-CG 4.19Å; L505-F731 HydrophobicContact CD2-CE1 4.03Å; L505-F731 HydrophobicContact CD2-CZ 3.72Å
506Q97.5Very high96.8Very high26 Ų2630.8 Ų30.812%0.12116%0.159CC..Hα-helixtrans-62.3-36.5175.4-70.6174.313.600112.9P473 K474 E502 G503 V504 A510P473-Q506 HydrophobicContact CG-CB 4.05Å; K474-Q506 VanDerWaalsContact CB-OE1 3.28Å; K474-Q506 VanDerWaalsContact N-OE1 3.16Å; E502-Q506 WeakPolarHBondContact O-CG 3.25Å; E502-Q506 PolarHBondContact O-N 3.34Å; E502-Q506 PolarHBondContact OE1-NE2 3.09Å; G503-Q506 PolarHBondContact O-N 3.15Å; V504-Q506 VanDerWaalsContact C-N 3.34Å; V504-Q506 PolarHBondContact O-N 2.79Å; Q506-A510 WeakPolarHBondContact O-CB 3.28Å; Q506-A510 PolarHBondContact O-N 3.13Å; Q506-A510 VanDerWaalsContact O-N 3.16Å
507L98Very high96.8Very high0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-67.6-41.1173.9-66.2177.7000111.8F439 P473 L477 I480 L492 G503 V504 L505 A510 R511 L517 M521F439-L507 HydrophobicContact CE1-CD1 3.82Å; F439-L507 HydrophobicContact CZ-CD1 4.49Å; P473-L507 HydrophobicContact CB-CD2 3.88Å; P473-L507 HydrophobicContact CB-CG 4.35Å; P473-L507 HydrophobicContact CG-CD2 4.15Å; P473-L507 HydrophobicContact CG-CG 4.11Å; L477-L507 HydrophobicContact CD2-CD2 3.74Å; I480-L507 HydrophobicContact CG2-CD2 4.28Å; L492-L507 HydrophobicContact CD2-CD1 3.74Å; G503-L507 WeakPolarHBondContact O-CG 3.26Å; G503-L507 PolarHBondContact O-N 2.96Å; V504-L507 PolarHBondContact O-N 2.99Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.35Å; L507-A510 PolarHBondContact O-N 3.01Å; L507-R511 PolarHBondContact O-N 3.17Å; L507-L517 HydrophobicContact CD2-CD1 4.23Å; L507-L517 HydrophobicContact CD2-CD2 4.05Å; L507-M521 HydrophobicContact CB-CE 4.01Å; L507-M521 HydrophobicContact CB-SD 3.93Å; L507-M521 HydrophobicContact CD1-SD 4.14Å
508V97.2Very high96.7Very high18 Ų1830.9 Ų30.911%0.10916%0.158CC..Hα-helixtrans-65.1-44.1176.9173.10000111.3V504 L505 A510 R511 M521 A707 V722 T723V504-V508 HydrophobicContact CG1-CG2 4.39Å; V504-V508 WeakPolarHBondContact O-CG2 3.26Å; V504-V508 PolarHBondContact O-N 3.47Å; L505-V508 PolarHBondContact O-N 3.18Å; V508-A510 PolarHBondContact O-N 3.43Å; V508-R511 VanDerWaalsContact O-CB 3.31Å; V508-R511 WeakPolarHBondContact O-CB 3.47Å; V508-R511 WeakPolarHBondContact O-CG 3.41Å; V508-R511 PolarHBondContact O-N 3.45Å; V508-R511 VanDerWaalsContact O-N 3.14Å; V508-M521 HydrophobicContact CG2-CE 4.15Å; V508-M521 HydrophobicContact CG2-SD 4.32Å; V508-A707 HydrophobicContact CG2-CB 3.28Å; V508-V722 HydrophobicContact CB-CG2 4.33Å; V508-V722 HydrophobicContact CG2-CG2 3.91Å; V508-T723 HydrophobicContact CG1-CG2 3.8Å
509E95.8Very high96.7Very high103 Ų10331.3 Ų31.348%0.48116%0.161SC..Hα-helixtrans-63.5-22.9174.4-70.9-179.1167.700112.7L505 K726L505-E509 HydrophobicContact CD1-CG 4.36Å; L505-E509 WeakPolarHBondContact O-CG 3.28Å; L505-E509 PolarHBondContact O-N 3.4Å; E509-K726 IonicContact OE1-NZ 2.68Å; E509-K726 PolarHBondContact OE1-NZ 3.44Å
510A96.5Very high96.7Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-86.1-8.1176.300000114.6L477 Q506 L507 V508 G512 R513 Y514 L517L477-A510 HydrophobicContact CD1-CB 4.16Å; L477-A510 HydrophobicContact CD2-CB 4.29Å; Q506-A510 WeakPolarHBondContact O-CB 3.28Å; Q506-A510 PolarHBondContact O-N 3.13Å; Q506-A510 VanDerWaalsContact O-N 3.16Å; L507-A510 PolarHBondContact O-N 3.01Å; V508-A510 PolarHBondContact O-N 3.43Å; A510-G512 PolarHBondContact O-N 2.87Å; A510-R513 PolarHBondContact O-N 2.86Å; A510-Y514 HydrophobicContact CB-CD2 4.29Å; A510-Y514 PolarHBondContact O-N 2.88Å; A510-L517 HydrophobicContact CB-CD1 3.56Å
511R95.9Very high96.7Very high12 Ų1230.9 Ų30.95%0.04516%0.159CC..THydrogen-bonded Turntrans-54.9-33.9176.8-76176.7171.4174.8-7.3114.1L507 V508 R513 L517 I519 A701 A703 S706L507-R511 PolarHBondContact O-N 3.17Å; V508-R511 VanDerWaalsContact O-CB 3.31Å; V508-R511 WeakPolarHBondContact O-CB 3.47Å; V508-R511 WeakPolarHBondContact O-CG 3.41Å; V508-R511 PolarHBondContact O-N 3.45Å; V508-R511 VanDerWaalsContact O-N 3.14Å; R511-R513 PolarHBondContact O-N 3.33Å; R511-L517 HydrophobicContact CG-CB 3.94Å; R511-L517 VanDerWaalsContact CG-O 3.31Å; R511-L517 WeakPolarHBondContact CG-O 3.42Å; R511-L517 PolarHBondContact NE-O 3.11Å; R511-I519 PolarHBondContact NH2-O 2.83Å; R511-A701 PolarHBondContact NE-O 2.8Å; R511-A701 PolarHBondContact NH1-O 3.32Å; R511-A701 PolarHBondContact NH2-O 3.11Å; R511-A701 VanDerWaalsContact NH2-O 3.15Å; R511-A703 PolarHBondContact NH1-O 2.99Å; R511-S706 PolarHBondContact NH1-OG 3.14Å; R511-S706 PolarHBondContact NH2-OG 2.89Å
512G93.4Very high96.8Very high82 Ų8230.9 Ų30.985%0.84516%0.159SC*.THydrogen-bonded Turntrans-67.9-10.6176.100000114.7A510A510-G512 PolarHBondContact O-N 2.87Å
513R95.2Very high96.8Very high167 Ų16728.8 Ų28.863%0.6315%0.149SC*.THydrogen-bonded Turntrans-112-29.8177-66.7-178.6-71157.90.4113.1A510 R511A510-R513 PolarHBondContact O-N 2.86Å; R511-R513 PolarHBondContact O-N 3.33Å
514Y95.9Very high96.8Very high51 Ų5128.8 Ų28.820%0.215%0.149CC..  trans-131111.6-175.2-57.6-69.8000110.7L477 E478 V481 A510 E516 L517L477-Y514 HydrophobicContact CB-CE2 4.27Å; E478-Y514 WeakPolarHBondContact CG-OH 3.35Å; V481-Y514 HydrophobicContact CB-CD1 4.47Å; V481-Y514 HydrophobicContact CG1-CD1 3.98Å; V481-Y514 HydrophobicContact CG1-CG 4.33Å; V481-Y514 HydrophobicContact CG2-CD1 4.08Å; V481-Y514 HydrophobicContact CG2-CD2 4.05Å; V481-Y514 HydrophobicContact CG2-CG 3.7Å; A510-Y514 HydrophobicContact CB-CD2 4.29Å; A510-Y514 PolarHBondContact O-N 2.88Å; Y514-E516 PolarHBondContact O-N 2.78Å; Y514-L517 HydrophobicContact CD2-CD1 4.16Å; Y514-L517 PolarHBondContact O-N 3.16Å; Y514-L517 VanDerWaalsContact O-N 3.11Å
515E94.1Very high96.9Very high89 Ų8928.8 Ų28.842%0.41615%0.149SC..G310 helixtrans-70-21.2-177.4-148.6-165.5174.900112.2L517 C518 R698 F700E515-L517 PolarHBondContact O-N 2.73Å; E515-C518 VanDerWaalsContact O-CB 3.28Å; E515-C518 WeakPolarHBondContact O-CB 3.31Å; E515-C518 PolarHBondContact O-N 3.41Å; E515-C518 VanDerWaalsContact O-N 3.14Å; E515-R698 IonicContact OE1-CZ 2.87Å; E515-R698 IonicContact OE1-NH1 3.46Å; E515-R698 PolarHBondContact OE1-NH1 3Å; E515-R698 IonicContact OE1-NH2 2.94Å; E515-R698 PolarHBondContact OE1-NH2 3.38Å; E515-R698 IonicContact OE2-CZ 3.45Å; E515-R698 IonicContact OE2-NH1 2.76Å; E515-R698 PolarHBondContact OE2-NH1 3.08Å; E515-R698 IonicContact OE2-NH2 3.98Å; E515-R698 PolarHBondContact OE2-NH2 3.31Å; E515-F700 HydrophobicContact CG-CD2 4.2Å; E515-F700 HydrophobicContact CG-CE2 3.71Å; E515-F700 WeakPolarHBondContact OE1-CE2 3.25Å
516E95.1Very high96.9Very high36 Ų3628.5 Ų28.517%0.16815%0.148CC..G310 helixtrans-62.5-23.7171.3-66.673.5-166.900112.9V481 I484 R485 Y514 C518 I519V481-E516 HydrophobicContact CG1-CB 3.96Å; V481-E516 HydrophobicContact CG1-CG 3.92Å; I484-E516 HydrophobicContact CG2-CB 4.19Å; R485-E516 HydrophobicContact CB-CG 4.19Å; R485-E516 IonicContact CZ-OE1 3.4Å; R485-E516 IonicContact NE-OE1 3.13Å; R485-E516 PolarHBondContact NE-OE1 2.67Å; R485-E516 IonicContact NH2-OE1 3.97Å; R485-E516 PolarHBondContact NH2-OE1 2.81Å; Y514-E516 PolarHBondContact O-N 2.78Å; E516-C518 VanDerWaalsContact C-N 3.29Å; E516-I519 WeakPolarHBondContact O-CG2 3.45Å
517L96.8Very high96.9Very high0 Ų027.9 Ų27.90%015%0.146CC..G310 helixtrans-85-2.8177.1-58.8-179.5000112.6V481 I484 L507 A510 R511 Y514 E515 I519 M521V481-L517 HydrophobicContact CG2-CD1 4.02Å; V481-L517 HydrophobicContact CG2-CD2 3.9Å; V481-L517 HydrophobicContact CG2-CG 3.84Å; I484-L517 HydrophobicContact CD1-CD2 3.68Å; L507-L517 HydrophobicContact CD2-CD1 4.23Å; L507-L517 HydrophobicContact CD2-CD2 4.05Å; A510-L517 HydrophobicContact CB-CD1 3.56Å; R511-L517 HydrophobicContact CG-CB 3.94Å; R511-L517 VanDerWaalsContact CG-O 3.31Å; R511-L517 WeakPolarHBondContact CG-O 3.42Å; R511-L517 PolarHBondContact NE-O 3.11Å; Y514-L517 HydrophobicContact CD2-CD1 4.16Å; Y514-L517 PolarHBondContact O-N 3.16Å; Y514-L517 VanDerWaalsContact O-N 3.11Å; E515-L517 PolarHBondContact O-N 2.73Å; L517-I519 PolarHBondContact O-N 3.31Å; L517-M521 WeakPolarHBondContact O-CE 3.37Å
518C96.6Very high96.8Very high4 Ų428.4 Ų28.43%0.02715%0.148CC..  trans-75.747.6169.8-630000111.5E515 E516 F700 A701E515-C518 VanDerWaalsContact O-CB 3.28Å; E515-C518 WeakPolarHBondContact O-CB 3.31Å; E515-C518 PolarHBondContact O-N 3.41Å; E515-C518 VanDerWaalsContact O-N 3.14Å; E516-C518 VanDerWaalsContact C-N 3.29Å; C518-F700 HydrophobicContact CB-CD2 3.82Å; C518-F700 HydrophobicContact CB-CE2 3.94Å; C518-F700 HydrophobicContact CB-CG 4.38Å; C518-A701 CarbonylContact C-O 3.59Å; C518-A701 VanDerWaalsContact CA-O 3.32Å; C518-A701 WeakPolarHBondContact CA-O 3.32Å; C518-A701 PolarHBondContact O-N 2.9Å
519I97Very high96.8Very high11 Ų1128.2 Ų28.26%0.05615%0.148CC..SBendtrans-108.1159.9175.256.1166.1000110.3I484 I489 H490 L492 R511 E516 L517 M521I484-I519 HydrophobicContact CD1-CD1 4.21Å; I484-I519 HydrophobicContact CG2-CD1 4.46Å; I489-I519 HydrophobicContact CG2-CD1 4.47Å; I489-I519 WeakPolarHBondContact O-CG2 3.4Å; H490-I519 VanDerWaalsContact O-CB 3.29Å; H490-I519 WeakPolarHBondContact O-CB 3.45Å; L492-I519 HydrophobicContact CB-CD1 4.18Å; R511-I519 PolarHBondContact NH2-O 2.83Å; E516-I519 WeakPolarHBondContact O-CG2 3.45Å; L517-I519 PolarHBondContact O-N 3.31Å; I519-M521 HydrophobicContact CG1-CE 4.09Å; I519-M521 HydrophobicContact CG1-CG 4.32Å
520V98.1Very high96.8Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-76134.4177.3-166.30000109.4H490 A491 L492 W685 L686 K689 L690 V693 A701 S706H490-V520 PolarHBondContact O-N 3.11Å; A491-V520 CarbonylContact C-O 3.58Å; A491-V520 WeakPolarHBondContact CA-O 3.48Å; A491-V520 HydrophobicContact CB-CB 4.07Å; A491-V520 VanDerWaalsContact CB-O 3.27Å; A491-V520 WeakPolarHBondContact CB-O 3.34Å; L492-V520 PolarHBondContact N-O 2.98Å; V520-W685 HydrophobicContact CG1-CH2 4.1Å; V520-W685 HydrophobicContact CG1-CZ3 3.85Å; V520-L686 HydrophobicContact CB-CD2 4.07Å; V520-L686 HydrophobicContact CG1-CD2 3.58Å; V520-K689 HydrophobicContact CG1-CB 3.78Å; V520-K689 HydrophobicContact CG2-CB 4.26Å; V520-L690 HydrophobicContact CG2-CD2 4Å; V520-L690 HydrophobicContact CG2-CG 4.12Å; V520-V693 HydrophobicContact CG2-CG2 3.87Å; V520-A701 HydrophobicContact CG2-CB 4.07Å; V520-S706 CarbonylContact C-O 3.59Å; V520-S706 WeakPolarHBondContact CA-O 3.34Å; V520-S706 WeakPolarHBondContact CG1-O 3.29Å
521M98.6Very high96.8Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-127.9140.3-178.3-52.8-173.1-140.700111.5L492 V504 L507 V508 L517 I519 W685 S706 A707 C708L492-M521 HydrophobicContact CB-CG 4.2Å; L492-M521 CarbonylContact O-C 3.56Å; L492-M521 WeakPolarHBondContact O-CA 3.42Å; V504-M521 HydrophobicContact CG1-CB 3.88Å; V504-M521 HydrophobicContact CG1-SD 3.94Å; L507-M521 HydrophobicContact CB-CE 4.01Å; L507-M521 HydrophobicContact CB-SD 3.93Å; L507-M521 HydrophobicContact CD1-SD 4.14Å; V508-M521 HydrophobicContact CG2-CE 4.15Å; V508-M521 HydrophobicContact CG2-SD 4.32Å; L517-M521 WeakPolarHBondContact O-CE 3.37Å; I519-M521 HydrophobicContact CG1-CE 4.09Å; I519-M521 HydrophobicContact CG1-CG 4.32Å; M521-W685 WeakPolarHBondContact O-CZ3 3.16Å; M521-S706 PolarHBondContact N-O 3.1Å; M521-A707 HydrophobicContact CB-CB 4.11Å; M521-A707 VanDerWaalsContact O-CA 3.3Å; M521-A707 WeakPolarHBondContact O-CA 3.45Å; M521-C708 PolarHBondContact O-N 2.87Å; M521-C708 VanDerWaalsContact O-N 3.09Å
522C98.6Very high96.9Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-134.9135.4174.2-171.80000110.6L492 L493 V494 W685 L686 C708L492-C522 PolarHBondContact O-N 3.49Å; L493-C522 WeakPolarHBondContact CA-O 3.32Å; L493-C522 HydrophobicContact CD1-CB 3.8Å; V494-C522 PolarHBondContact N-O 2.88Å; C522-W685 HydrophobicContact CB-CE3 4.18Å; C522-W685 HydrophobicContact CB-CZ3 3.89Å; C522-L686 HydrophobicContact CB-CD1 4.2Å; C522-L686 HydrophobicContact CB-CD2 3.9Å; C522-L686 HydrophobicContact CB-CG 4.11Å; C522-C708 CarbonylContact C-O 3.56Å; C522-C708 VanDerWaalsContact CA-O 3.31Å; C522-C708 WeakPolarHBondContact CA-O 3.18Å
523V98.8Very high97Very high0 Ų019.7 Ų19.70%09%0.087CC..EExtended strand (participates in β ladder)trans-108.8122.8173.6179.80000109.3V494 A500 V504 P525 C708 V709 I710V494-V523 CarbonylContact O-C 3.57Å; V494-V523 VanDerWaalsContact O-CA 3.29Å; V494-V523 WeakPolarHBondContact O-CA 3.45Å; A500-V523 HydrophobicContact CB-CG1 4.07Å; V504-V523 HydrophobicContact CB-CG2 3.71Å; V504-V523 HydrophobicContact CG1-CG2 4.07Å; V504-V523 HydrophobicContact CG2-CG2 3.51Å; V523-P525 WeakPolarHBondContact O-CD 3.27Å; V523-C708 PolarHBondContact N-O 3.32Å; V523-V709 HydrophobicContact CB-CG2 4.18Å; V523-V709 WeakPolarHBondContact O-CA 3.27Å; V523-I710 WeakPolarHBondContact O-CG2 3.4Å; V523-I710 PolarHBondContact O-N 3.1Å
524I98.6Very high96.8Very high0 Ų012.3 Ų12.30%06%0.063CC..EExtended strand (participates in β ladder)trans-95.3112.6166.7-66.3175.3000108.1A417 L493 V494 V495 G496 A526 L539 L678 A682 I710A417-I524 HydrophobicContact CB-CD1 4.18Å; A417-I524 HydrophobicContact CB-CG2 4.39Å; L493-I524 HydrophobicContact CD1-CD1 3.9Å; L493-I524 HydrophobicContact CD1-CG1 4Å; L493-I524 HydrophobicContact CD2-CD1 4.27Å; L493-I524 HydrophobicContact CG-CD1 4.4Å; V494-I524 PolarHBondContact O-N 3.23Å; V495-I524 WeakPolarHBondContact CA-O 3.43Å; V495-I524 HydrophobicContact CB-CB 4.47Å; V495-I524 HydrophobicContact CG1-CB 4.18Å; V495-I524 HydrophobicContact CG1-CG2 4.05Å; V495-I524 HydrophobicContact CG2-CB 4.27Å; V495-I524 HydrophobicContact CG2-CD1 4.29Å; G496-I524 PolarHBondContact N-O 3.39Å; I524-A526 PolarHBondContact O-N 3.3Å; I524-L539 HydrophobicContact CG2-CD1 3.57Å; I524-L539 HydrophobicContact CG2-CG 4.42Å; I524-L678 HydrophobicContact CD1-CB 4.33Å; I524-L678 HydrophobicContact CG1-CB 4.5Å; I524-L678 HydrophobicContact CG2-CB 4.17Å; I524-L678 HydrophobicContact CG2-CD1 3.92Å; I524-A682 HydrophobicContact CD1-CB 3.97Å; I524-A682 HydrophobicContact CG1-CB 4.18Å; I524-I710 HydrophobicContact CB-CG2 4.33Å; I524-I710 HydrophobicContact CG1-CG2 3.6Å
525P98.3Very high96.7Very high0 Ų010.7 Ų10.70%06%0.058CC..EExtended strand (participates in β ladder)trans-60.9122.9177-28.539000113G496 V523 V532 T535 S538 L539 V709 I710G496-P525 CarbonylContact O-C 3.5Å; G496-P525 WeakPolarHBondContact O-CA 3.45Å; V523-P525 WeakPolarHBondContact O-CD 3.27Å; P525-V532 HydrophobicContact CB-CB 3.93Å; P525-V532 HydrophobicContact CB-CG1 4.02Å; P525-V532 HydrophobicContact CB-CG2 4.2Å; P525-V532 HydrophobicContact CG-CB 4.32Å; P525-V532 HydrophobicContact CG-CG1 3.92Å; P525-T535 HydrophobicContact CB-CG2 3.72Å; P525-T535 HydrophobicContact CG-CG2 3.71Å; P525-S538 WeakPolarHBondContact O-CA 3.1Å; P525-L539 PolarHBondContact O-N 3.05Å; P525-V709 HydrophobicContact CG-CG1 3.42Å; P525-V709 VanDerWaalsContact CG-CG1 3.42Å; P525-I710 WeakPolarHBondContact CD-O 3.39Å
526A98.1Very high96.7Very high0 Ų07.7 Ų7.70%05%0.045CC..BIsolated β-bridgetrans-143.4106.5178.200000110.8A411 M414 V495 G496 G497 I524 L539A411-A526 HydrophobicContact CB-CB 4.3Å; M414-A526 HydrophobicContact CE-CB 3.65Å; M414-A526 HydrophobicContact CG-CB 3.69Å; V495-A526 HydrophobicContact CG1-CB 3.89Å; G496-A526 CarbonylContact C-O 3.47Å; G496-A526 PolarHBondContact O-N 3.21Å; G497-A526 WeakPolarHBondContact CA-O 3.46Å; G497-A526 PolarHBondContact N-O 3.18Å; I524-A526 PolarHBondContact O-N 3.3Å; A526-L539 CarbonylContact C-O 3.48Å; A526-L539 WeakPolarHBondContact CA-O 3.34Å; A526-L539 HydrophobicContact CB-CB 3.88Å; A526-L539 HydrophobicContact CB-CD1 4.44Å
527T97.6Very high96.6Very high13 Ų137 Ų78%0.084%0.042CC..  trans-168.4146-177.71730000109.1S529 N531 V532 S538 L539T527-S529 PolarHBondContact O-N 3Å; T527-S529 PolarHBondContact OG1-N 3.37Å; T527-N531 WeakPolarHBondContact CG2-OD1 3.45Å; T527-N531 PolarHBondContact OG1-OD1 3.45Å; T527-V532 HydrophobicContact CG2-CG2 3.81Å; T527-S538 VanDerWaalsContact CG2-OG 3.27Å; T527-S538 WeakPolarHBondContact CG2-OG 3.44Å; T527-S538 PolarHBondContact O-OG 3.36Å; T527-L539 CarbonylContact C-O 3.57Å; T527-L539 PolarHBondContact N-O 3.07Å
528I96.7Very high96.7Very high10 Ų107 Ų75%0.0514%0.042CC..THydrogen-bonded Turntrans-68.8-24.1173.565.3172.9000112.6A544 M572 Q662 Q663I528-A544 HydrophobicContact CB-CB 3.61Å; I528-A544 HydrophobicContact CG2-CB 3.78Å; I528-M572 HydrophobicContact CD1-CB 4.03Å; I528-M572 HydrophobicContact CD1-CE 4.18Å; I528-M572 HydrophobicContact CD1-SD 4.03Å; I528-Q662 HydrophobicContact CD1-CB 4.46Å; I528-Q663 HydrophobicContact CD1-CG 4.37Å; I528-Q663 HydrophobicContact CG2-CG 4.41Å
529S96.6Very high96.7Very high15 Ų156.8 Ų6.811%0.1054%0.04CC..THydrogen-bonded Turntrans-81.8-13.1-171.3-50.60000114.4T527 N531 G573 C576T527-S529 PolarHBondContact O-N 3Å; T527-S529 PolarHBondContact OG1-N 3.37Å; S529-N531 VanDerWaalsContact C-N 3.27Å; S529-N531 WeakPolarHBondContact CB-OD1 3.26Å; S529-N531 PolarHBondContact O-N 2.84Å; S529-G573 WeakPolarHBondContact CB-O 3.33Å; S529-G573 WeakPolarHBondContact OG-CA 3.32Å; S529-G573 PolarHBondContact OG-O 3.12Å; S529-C576 PolarHBondContact O-SG 2.88Å
530N97Very high96.7Very high4 Ų46.2 Ų6.22%0.0214%0.038CC..  trans50.143.7-172.2-156.722.8000114.3D536 F537 S538 Y578 Q739N530-D536 PolarHBondContact ND2-O 2.93Å; N530-D536 PolarHBondContact OD1-O 2.86Å; N530-F537 VanDerWaalsContact OD1-CA 3.27Å; N530-F537 WeakPolarHBondContact OD1-CA 3.23Å; N530-S538 VanDerWaalsContact CA-OG 3.32Å; N530-S538 WeakPolarHBondContact CA-OG 3.28Å; N530-S538 PolarHBondContact OD1-N 2.89Å; N530-S538 PolarHBondContact OD1-OG 2.86Å; N530-Y578 HydrophobicContact CB-CD1 3.49Å; N530-Y578 VanDerWaalsContact CB-CD1 3.49Å; N530-Y578 HydrophobicContact CB-CD2 4.19Å; N530-Y578 HydrophobicContact CB-CE1 3.93Å; N530-Y578 HydrophobicContact CB-CG 3.64Å; N530-Y578 WeakPolarHBondContact ND2-CE2 3.46Å; N530-Q739 PolarHBondContact O-NE2 3.41Å
531N96.6Very high96.7Very high11 Ų116.2 Ų6.26%0.0594%0.038CC..  trans-111.219.4-171.273.3-47.5000114.2T527 S529 C576 R734 M735T527-N531 WeakPolarHBondContact CG2-OD1 3.45Å; T527-N531 PolarHBondContact OG1-OD1 3.45Å; S529-N531 VanDerWaalsContact C-N 3.27Å; S529-N531 WeakPolarHBondContact CB-OD1 3.26Å; S529-N531 PolarHBondContact O-N 2.84Å; N531-C576 HydrophobicContact CB-CB 3.8Å; N531-R734 PolarHBondContact ND2-O 3.37Å; N531-M735 HydrophobicContact CB-CB 4.38Å
532V96.6Very high96.6Very high1 Ų16.9 Ų6.91%0.0064%0.041CC..  trans-97.9124.9178.8-176.10000109.7P525 T527P525-V532 HydrophobicContact CB-CB 3.93Å; P525-V532 HydrophobicContact CB-CG1 4.02Å; P525-V532 HydrophobicContact CB-CG2 4.2Å; P525-V532 HydrophobicContact CG-CB 4.32Å; P525-V532 HydrophobicContact CG-CG1 3.92Å; T527-V532 HydrophobicContact CG2-CG2 3.81Å
533P95.5Very high96.6Very high2 Ų27.1 Ų7.11%0.0134%0.043CC..THydrogen-bonded Turntrans-58.5148.8175.4-25.535.3000113Y501 L725 T729 P736Y501-P533 HydrophobicContact CD1-CG 4.33Å; Y501-P533 HydrophobicContact CE1-CG 3.9Å; P533-L725 HydrophobicContact CB-CB 4.19Å; P533-L725 HydrophobicContact CB-CD1 4.43Å; P533-L725 HydrophobicContact CB-CD2 4.28Å; P533-T729 HydrophobicContact CG-CG2 4.25Å; P533-T729 WeakPolarHBondContact CG-OG1 3.24Å; P533-P736 HydrophobicContact CG-CB 4.48Å; P533-P736 HydrophobicContact CG-CG 4.32Å
534G92.3Very high96.6Very high12 Ų127.1 Ų7.112%0.1244%0.043CC..THydrogen-bonded Turntrans90.9-0.3173.400000116.3K713G534-K713 VanDerWaalsContact O-CE 3.25Å; G534-K713 WeakPolarHBondContact O-CE 3.34Å
535T94.3Very high96.5Very high16 Ų167.3 Ų7.310%0.0984%0.043CC..  trans-135.8149.5173-166.40000111.6P525 F537 Y674 G711 L712P525-T535 HydrophobicContact CB-CG2 3.72Å; P525-T535 HydrophobicContact CG-CG2 3.71Å; T535-F537 VanDerWaalsContact CG2-O 3.27Å; T535-F537 WeakPolarHBondContact CG2-O 3.42Å; T535-F537 PolarHBondContact OG1-N 3.42Å; T535-F537 PolarHBondContact OG1-O 3.48Å; T535-Y674 PolarHBondContact OG1-OH 3.43Å; T535-G711 VanDerWaalsContact OG1-CA 3.3Å; T535-G711 WeakPolarHBondContact OG1-CA 3.44Å; T535-L712 PolarHBondContact OG1-N 2.97Å
536D92.8Very high96.5Very high27 Ų277.5 Ų7.514%0.1445%0.045CC..SBendtrans-77.7-26.2168.2-72-16.5000111.8N341 N530 L712 K714 W740N341-D536 VanDerWaalsContact ND2-CB 3.33Å; N341-D536 WeakPolarHBondContact ND2-CB 3.47Å; N341-D536 PolarHBondContact ND2-OD2 3.32Å; N530-D536 PolarHBondContact ND2-O 2.93Å; N530-D536 PolarHBondContact OD1-O 2.86Å; D536-L712 WeakPolarHBondContact CB-O 3.17Å; D536-L712 PolarHBondContact N-O 2.9Å; D536-K714 PolarHBondContact OD2-N 3.32Å; D536-W740 PolarHBondContact O-NE1 3.49Å
537F94.4Very high96.5Very high20 Ų208.4 Ų8.49%0.0885%0.052CC..  trans-139.5132.7178.5-58.1-76000112.4N341 N530 T535 F670 Y674 L712 W740N341-F537 WeakPolarHBondContact ND2-CE2 3.48Å; N341-F537 WeakPolarHBondContact OD1-CE2 3.36Å; N341-F537 WeakPolarHBondContact OD1-CZ 3.45Å; N530-F537 VanDerWaalsContact OD1-CA 3.27Å; N530-F537 WeakPolarHBondContact OD1-CA 3.23Å; T535-F537 VanDerWaalsContact CG2-O 3.27Å; T535-F537 WeakPolarHBondContact CG2-O 3.42Å; T535-F537 PolarHBondContact OG1-N 3.42Å; T535-F537 PolarHBondContact OG1-O 3.48Å; F537-F670 HydrophobicContact CD2-CZ 4.5Å; F537-Y674 HydrophobicContact CB-CE1 4Å; F537-Y674 WeakPolarHBondContact O-CE1 3.27Å; F537-Y674 PolarHBondContact O-OH 3.5Å; F537-Y674 VanDerWaalsContact O-OH 3.09Å; F537-L712 HydrophobicContact CD2-CD2 3.9Å; F537-L712 HydrophobicContact CE2-CD2 4.06Å; F537-W740 HydrophobicContact CD1-CZ2 4.32Å; F537-W740 HydrophobicContact CE1-CH2 4.14Å; F537-W740 AromaticContact CE1-CZ2 3.52Å; F537-W740 HydrophobicContact CE1-CZ2 3.52Å; F537-W740 HydrophobicContact CZ-CH2 4.14Å; F537-W740 AromaticContact CZ-CZ2 3.72Å; F537-W740 HydrophobicContact CZ-CZ2 3.72Å
538S96.9Very high96.5Very high0 Ų07.8 Ų7.80%05%0.048CC..  trans-95.6151.5162.457.70000112.2P525 T527 N530 G540 S541P525-S538 WeakPolarHBondContact O-CA 3.1Å; T527-S538 VanDerWaalsContact CG2-OG 3.27Å; T527-S538 WeakPolarHBondContact CG2-OG 3.44Å; T527-S538 PolarHBondContact O-OG 3.36Å; N530-S538 VanDerWaalsContact CA-OG 3.32Å; N530-S538 WeakPolarHBondContact CA-OG 3.28Å; N530-S538 PolarHBondContact OD1-N 2.89Å; N530-S538 PolarHBondContact OD1-OG 2.86Å; S538-G540 PolarHBondContact O-N 3.49Å; S538-S541 VanDerWaalsContact O-CB 3.3Å; S538-S541 WeakPolarHBondContact O-CB 3.42Å; S538-S541 PolarHBondContact O-N 2.75Å; S538-S541 PolarHBondContact O-OG 3.43Å
539L97.8Very high96.6Very high0 Ų07.4 Ų7.40%05%0.046CC..BIsolated β-bridgetrans-59.5136.3172.2-61.6171.9000111.2A411 A412 A417 V495 I524 P525 A526 T527 S541 Y674 L678A411-L539 WeakPolarHBondContact CB-O 3.48Å; A412-L539 CarbonylContact O-C 3.46Å; A417-L539 HydrophobicContact CB-CD1 3.81Å; V495-L539 HydrophobicContact CG1-CD1 4.48Å; I524-L539 HydrophobicContact CG2-CD1 3.57Å; I524-L539 HydrophobicContact CG2-CG 4.42Å; P525-L539 PolarHBondContact O-N 3.05Å; A526-L539 CarbonylContact C-O 3.48Å; A526-L539 WeakPolarHBondContact CA-O 3.34Å; A526-L539 HydrophobicContact CB-CB 3.88Å; A526-L539 HydrophobicContact CB-CD1 4.44Å; T527-L539 CarbonylContact C-O 3.57Å; T527-L539 PolarHBondContact N-O 3.07Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-Y674 HydrophobicContact CD2-CD1 3.53Å; L539-Y674 HydrophobicContact CD2-CE1 4.25Å; L539-Y674 HydrophobicContact CD2-CG 4.17Å; L539-Y674 HydrophobicContact CG-CD1 4.45Å; L539-L678 HydrophobicContact CD2-CD1 4.4Å; L539-L678 HydrophobicContact CG-CD1 4.35Å
540G97Very high96.6Very high0 Ų010.6 Ų10.60%06%0.06CC..THydrogen-bonded Turntrans89.1-6.2-179.300000114A412 S538 A544 D671A412-G540 VanDerWaalsContact O-CA 3.23Å; A412-G540 WeakPolarHBondContact O-CA 3.32Å; A412-G540 PolarHBondContact O-N 2.94Å; S538-G540 PolarHBondContact O-N 3.49Å; G540-A544 VanDerWaalsContact O-CB 3.27Å; G540-A544 WeakPolarHBondContact O-CB 3.04Å; G540-A544 PolarHBondContact O-N 3.22Å; G540-D671 WeakPolarHBondContact CA-OD2 3.36Å; G540-D671 PolarHBondContact N-OD1 3.43Å; G540-D671 PolarHBondContact N-OD2 2.83Å
541S97.1Very high96.6Very high0 Ų011.6 Ų11.60%07%0.067CC..Hα-helixtrans-71.1-40.6179.163.60000112.1S538 L539 A544 V545S538-S541 VanDerWaalsContact O-CB 3.3Å; S538-S541 WeakPolarHBondContact O-CB 3.42Å; S538-S541 PolarHBondContact O-N 2.75Å; S538-S541 PolarHBondContact O-OG 3.43Å; L539-S541 VanDerWaalsContact C-N 3.33Å; S541-A544 PolarHBondContact O-N 3.44Å; S541-V545 VanDerWaalsContact O-CG2 3.3Å; S541-V545 WeakPolarHBondContact O-CG2 3.43Å; S541-V545 PolarHBondContact O-N 3.36Å
542D97.7Very high96.5Very high14 Ų1411 Ų118%0.0756%0.064CC..Hα-helixtrans-68.5-44.1175.3173.468.4000111.9A544 V545 N546 T668 F670D542-A544 PolarHBondContact O-N 3.4Å; D542-V545 PolarHBondContact O-N 2.88Å; D542-N546 PolarHBondContact O-N 2.88Å; D542-N546 PolarHBondContact O-ND2 2.87Å; D542-N546 PolarHBondContact OD1-ND2 3.27Å; D542-N546 PolarHBondContact OD2-ND2 3.46Å; D542-T668 WeakPolarHBondContact OD2-CB 3.49Å; D542-T668 WeakPolarHBondContact OD2-CG2 3.25Å; D542-T668 PolarHBondContact OD2-OG1 2.87Å; D542-F670 HydrophobicContact CB-CB 4.37Å; D542-F670 HydrophobicContact CB-CD1 3.68Å; D542-F670 HydrophobicContact CB-CE1 4.37Å; D542-F670 HydrophobicContact CB-CG 4.27Å
543T98.1Very high96.4Very high5 Ų512.1 Ų12.13%0.0317%0.069CC..Hα-helixtrans-56.8-40.1173.3-57.30000111.7A412 A547 T668 D671A412-T543 HydrophobicContact CB-CG2 3.64Å; A412-T543 WeakPolarHBondContact CB-OG1 3.27Å; T543-A547 WeakPolarHBondContact O-CB 3.47Å; T543-A547 PolarHBondContact O-N 2.89Å; T543-T668 HydrophobicContact CG2-CG2 4.36Å; T543-T668 PolarHBondContact OG1-N 3.47Å; T543-T668 VanDerWaalsContact OG1-N 3.1Å; T543-T668 PolarHBondContact OG1-OG1 2.95Å; T543-D671 VanDerWaalsContact CB-OD2 3.26Å; T543-D671 WeakPolarHBondContact CB-OD2 3.5Å; T543-D671 PolarHBondContact N-OD2 3.49Å; T543-D671 PolarHBondContact OG1-OD2 3.05Å
544A98.1Very high96.3Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-67.4-44.3177.900000113.3I528 G540 S541 D542 N546 A547 A548 L579 Q662I528-A544 HydrophobicContact CB-CB 3.61Å; I528-A544 HydrophobicContact CG2-CB 3.78Å; G540-A544 VanDerWaalsContact O-CB 3.27Å; G540-A544 WeakPolarHBondContact O-CB 3.04Å; G540-A544 PolarHBondContact O-N 3.22Å; S541-A544 PolarHBondContact O-N 3.44Å; D542-A544 PolarHBondContact O-N 3.4Å; A544-N546 VanDerWaalsContact C-N 3.34Å; A544-N546 PolarHBondContact O-N 3.31Å; A544-A547 PolarHBondContact O-N 3.06Å; A544-A548 WeakPolarHBondContact O-CB 3.48Å; A544-A548 PolarHBondContact O-N 2.83Å; A544-L579 HydrophobicContact CB-CD1 4.04Å; A544-L579 HydrophobicContact CB-CD2 4.38Å; A544-Q662 WeakPolarHBondContact CA-O 3.32Å; A544-Q662 WeakPolarHBondContact CB-O 3.4Å
545V98.1Very high96.3Very high3 Ų319.9 Ų19.92%0.01810%0.096CC..Hα-helixtrans-62.4-42.7177.2176.30000110.4A307 S541 D542 A548 M549 Y578 L579 V582A307-V545 HydrophobicContact CB-CB 4.36Å; A307-V545 HydrophobicContact CB-CG1 3.54Å; S541-V545 VanDerWaalsContact O-CG2 3.3Å; S541-V545 WeakPolarHBondContact O-CG2 3.43Å; S541-V545 PolarHBondContact O-N 3.36Å; D542-V545 PolarHBondContact O-N 2.88Å; V545-A548 PolarHBondContact O-N 3.03Å; V545-M549 WeakPolarHBondContact O-CB 3.34Å; V545-M549 PolarHBondContact O-N 3Å; V545-Y578 HydrophobicContact CG2-CE1 3.9Å; V545-L579 HydrophobicContact CB-CD1 4.26Å; V545-L579 HydrophobicContact CG2-CD1 3.66Å; V545-V582 HydrophobicContact CG1-CB 4.3Å; V545-V582 HydrophobicContact CG1-CG1 3.76Å; V545-V582 HydrophobicContact CG2-CB 4.21Å; V545-V582 HydrophobicContact CG2-CG1 4.17Å
546N98.4Very high96Very high5 Ų519.9 Ų19.93%0.02710%0.095CC..Hα-helixtrans-62.4-47.7175.7-80.3-79.2000112A307 D542 A544 A548 M549 E550 T668A307-N546 PolarHBondContact N-OD1 3.44Å; D542-N546 PolarHBondContact O-N 2.88Å; D542-N546 PolarHBondContact O-ND2 2.87Å; D542-N546 PolarHBondContact OD1-ND2 3.27Å; D542-N546 PolarHBondContact OD2-ND2 3.46Å; A544-N546 VanDerWaalsContact C-N 3.34Å; A544-N546 PolarHBondContact O-N 3.31Å; N546-A548 VanDerWaalsContact C-N 3.33Å; N546-A548 PolarHBondContact O-N 3.47Å; N546-M549 WeakPolarHBondContact O-CB 3.45Å; N546-M549 PolarHBondContact O-N 3.05Å; N546-E550 PolarHBondContact O-N 3.35Å; N546-T668 HydrophobicContact CB-CG2 4.38Å
547A97.8Very high95.6Very high18 Ų1825.9 Ų25.915%0.14912%0.122CC..Hα-helixtrans-61.5-39.6177.900000112.8T543 A544 S551T543-A547 WeakPolarHBondContact O-CB 3.47Å; T543-A547 PolarHBondContact O-N 2.89Å; A544-A547 PolarHBondContact O-N 3.06Å; A547-S551 WeakPolarHBondContact O-CB 3.27Å; A547-S551 PolarHBondContact O-N 3.22Å; A547-S551 PolarHBondContact O-OG 2.83Å
548A97.8Very high95.1Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-68.9-40.5175.300000112.1A544 V545 N546 S551 C552 L579 T583 L658 Q662A544-A548 WeakPolarHBondContact O-CB 3.48Å; A544-A548 PolarHBondContact O-N 2.83Å; V545-A548 PolarHBondContact O-N 3.03Å; N546-A548 VanDerWaalsContact C-N 3.33Å; N546-A548 PolarHBondContact O-N 3.47Å; A548-S551 PolarHBondContact O-N 3.41Å; A548-C552 WeakPolarHBondContact O-CB 3.37Å; A548-C552 PolarHBondContact O-N 3.14Å; A548-C552 PolarHBondContact O-SG 3.38Å; A548-L579 HydrophobicContact CB-CD1 4.28Å; A548-T583 HydrophobicContact CB-CG2 3.82Å; A548-L658 HydrophobicContact CB-CD1 3.9Å; A548-Q662 HydrophobicContact CB-CG 4.28Å
549M97.5Very high94.1Very high3 Ų328.2 Ų28.22%0.01514%0.141CC..Hα-helixtrans-62.5-50176.6176.4-163.271.400111.9A307 R310 V545 N546 S551 C552 D553 T583 A586 V587A307-M549 WeakPolarHBondContact CA-SD 3.11Å; A307-M549 HydrophobicContact CB-CE 4.29Å; A307-M549 HydrophobicContact CB-SD 3.71Å; R310-M549 PolarHBondContact NE-SD 3.07Å; V545-M549 WeakPolarHBondContact O-CB 3.34Å; V545-M549 PolarHBondContact O-N 3Å; N546-M549 WeakPolarHBondContact O-CB 3.45Å; N546-M549 PolarHBondContact O-N 3.05Å; M549-S551 VanDerWaalsContact C-N 3.29Å; M549-S551 PolarHBondContact O-N 3.38Å; M549-C552 WeakPolarHBondContact O-CB 2.84Å; M549-C552 PolarHBondContact O-N 3.11Å; M549-C552 VanDerWaalsContact O-N 3.17Å; M549-D553 PolarHBondContact O-N 3.05Å; M549-T583 HydrophobicContact CB-CG2 4.46Å; M549-A586 HydrophobicContact CG-CB 4.1Å; M549-A586 HydrophobicContact SD-CB 3.98Å; M549-V587 HydrophobicContact CB-CG1 4.09Å; M549-V587 HydrophobicContact CG-CG1 3.82Å
550E96.6Very high92.8Very high82 Ų8231.2 Ų31.238%0.38316%0.161SC..Hα-helixtrans-59-41.9177-76.4-173.8-147.600112N546 C552 D553 R554N546-E550 PolarHBondContact O-N 3.35Å; E550-C552 VanDerWaalsContact C-N 3.34Å; E550-C552 PolarHBondContact O-N 2.95Å; E550-D553 PolarHBondContact O-N 3.31Å; E550-R554 WeakPolarHBondContact O-CG 3.45Å; E550-R554 PolarHBondContact O-N 3Å; E550-R554 IonicContact OE2-CZ 3.14Å; E550-R554 IonicContact OE2-NH2 2.87Å; E550-R554 PolarHBondContact OE2-NH2 2.76Å
551S96.5Very high91.4Very high24 Ų2434.5 Ų34.517%0.16820%0.195CC..Hα-helixtrans-61.2-44.6176.3-590000111.1A547 A548 M549 R554 I555A547-S551 WeakPolarHBondContact O-CB 3.27Å; A547-S551 PolarHBondContact O-N 3.22Å; A547-S551 PolarHBondContact O-OG 2.83Å; A548-S551 PolarHBondContact O-N 3.41Å; M549-S551 VanDerWaalsContact C-N 3.29Å; M549-S551 PolarHBondContact O-N 3.38Å; S551-R554 PolarHBondContact O-N 3.15Å; S551-I555 WeakPolarHBondContact O-CD1 3.34Å; S551-I555 VanDerWaalsContact O-CG1 3.28Å; S551-I555 WeakPolarHBondContact O-CG1 3.46Å; S551-I555 PolarHBondContact O-N 3.26Å
552C95.9Very high89.9Confident0 Ų036.7 Ų36.70%021%0.209CC..Hα-helixtrans-64.9-36.1175.7-70.30000113.3A548 M549 E550 I555 K556 V587 L623A548-C552 WeakPolarHBondContact O-CB 3.37Å; A548-C552 PolarHBondContact O-N 3.14Å; A548-C552 PolarHBondContact O-SG 3.38Å; M549-C552 WeakPolarHBondContact O-CB 2.84Å; M549-C552 PolarHBondContact O-N 3.11Å; M549-C552 VanDerWaalsContact O-N 3.17Å; E550-C552 VanDerWaalsContact C-N 3.34Å; E550-C552 PolarHBondContact O-N 2.95Å; C552-I555 PolarHBondContact O-N 3.36Å; C552-K556 WeakPolarHBondContact O-CB 3.32Å; C552-K556 VanDerWaalsContact O-CG 3.31Å; C552-K556 WeakPolarHBondContact O-CG 3.21Å; C552-K556 PolarHBondContact O-N 3.43Å; C552-V587 HydrophobicContact CB-CB 4.14Å; C552-V587 HydrophobicContact CB-CG1 3.5Å; C552-V587 VanDerWaalsContact CB-CG1 3.5Å; C552-V587 HydrophobicContact CB-CG2 4.5Å; C552-L623 HydrophobicContact CB-CD2 4.08Å
553D94.5Very high88.6Confident23 Ų2345.3 Ų45.312%0.12325%0.246CC..Hα-helixtrans-67.7-39.9176.1-78.9-24.8000112Q78 R310 M549 E550 I555 K556 Q557Q78-D553 WeakPolarHBondContact CB-OD2 3.43Å; R310-D553 IonicContact CZ-OD2 3.3Å; R310-D553 IonicContact NH1-OD1 3.07Å; R310-D553 IonicContact NH1-OD2 3.83Å; R310-D553 PolarHBondContact NH1-OD2 2.95Å; R310-D553 IonicContact NH2-OD2 3.33Å; R310-D553 PolarHBondContact NH2-OD2 2.98Å; M549-D553 PolarHBondContact O-N 3.05Å; E550-D553 PolarHBondContact O-N 3.31Å; D553-I555 VanDerWaalsContact C-N 3.33Å; D553-I555 PolarHBondContact O-N 2.83Å; D553-K556 PolarHBondContact O-N 3.39Å; D553-K556 IonicContact OD1-NZ 2.71Å; D553-K556 PolarHBondContact OD1-NZ 3.44Å; D553-Q557 PolarHBondContact O-N 3.2Å
554R92.9Very high88.1Confident159 Ų15949.6 Ų49.660%0.626%0.261SS*.Hα-helixtrans-62.1-40.4172.2-64.1170.4-157.7-171.28.6111.3E550 S551 Q557 S558E550-R554 WeakPolarHBondContact O-CG 3.45Å; E550-R554 PolarHBondContact O-N 3Å; E550-R554 IonicContact OE2-CZ 3.14Å; E550-R554 IonicContact OE2-NH2 2.87Å; E550-R554 PolarHBondContact OE2-NH2 2.76Å; S551-R554 PolarHBondContact O-N 3.15Å; R554-Q557 PolarHBondContact O-N 3.05Å; R554-S558 PolarHBondContact O-N 3.43Å
555I91.6Very high87.7Confident19 Ų1951.8 Ų51.810%0.09727%0.27CS..Hα-helixtrans-64-45.3173.6-68.9164.1000111.3S551 C552 D553 Q557 S558 A559 F567 V569 N656 L658S551-I555 WeakPolarHBondContact O-CD1 3.34Å; S551-I555 VanDerWaalsContact O-CG1 3.28Å; S551-I555 WeakPolarHBondContact O-CG1 3.46Å; S551-I555 PolarHBondContact O-N 3.26Å; C552-I555 PolarHBondContact O-N 3.36Å; D553-I555 VanDerWaalsContact C-N 3.33Å; D553-I555 PolarHBondContact O-N 2.83Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 3.08Å; I555-S558 WeakPolarHBondContact O-CB 3.45Å; I555-S558 PolarHBondContact O-N 3.02Å; I555-A559 PolarHBondContact O-N 3.26Å; I555-F567 HydrophobicContact CG2-CB 3.75Å; I555-F567 HydrophobicContact CG2-CD1 3.43Å; I555-F567 VanDerWaalsContact CG2-CD1 3.43Å; I555-F567 HydrophobicContact CG2-CD2 3.64Å; I555-F567 HydrophobicContact CG2-CE1 3.82Å; I555-F567 HydrophobicContact CG2-CE2 4.01Å; I555-F567 HydrophobicContact CG2-CG 3.31Å; I555-F567 HydrophobicContact CG2-CZ 4.09Å; I555-V569 HydrophobicContact CD1-CG2 4.02Å; I555-N656 HydrophobicContact CD1-CB 3.8Å; I555-L658 HydrophobicContact CD1-CD2 4.25Å
556K87.9Confident87.4Confident16 Ų1651.6 Ų51.67%0.0727%0.269CS..Hα-helixtrans-60.5-36.6174.9-77.6161.152.7-169.20112.5C552 D553 A559 S560 V587 L623C552-K556 WeakPolarHBondContact O-CB 3.32Å; C552-K556 VanDerWaalsContact O-CG 3.31Å; C552-K556 WeakPolarHBondContact O-CG 3.21Å; C552-K556 PolarHBondContact O-N 3.43Å; D553-K556 PolarHBondContact O-N 3.39Å; D553-K556 IonicContact OD1-NZ 2.71Å; D553-K556 PolarHBondContact OD1-NZ 3.44Å; K556-A559 WeakPolarHBondContact O-CB 3.5Å; K556-A559 PolarHBondContact O-N 2.94Å; K556-S560 PolarHBondContact O-N 3.07Å; K556-S560 VanDerWaalsContact O-N 3.11Å; K556-S560 PolarHBondContact O-OG 2.66Å; K556-V587 HydrophobicContact CD-CB 4.47Å; K556-V587 PolarHBondContact NZ-O 3.15Å; K556-L623 HydrophobicContact CD-CD2 3.83Å; K556-L623 HydrophobicContact CG-CD2 4.03Å
557Q85.5Confident87.3Confident152 Ų15252 Ų5271%0.7127%0.27SS*.Hα-helixtrans-65.8-45.3174.6-171.1177.75.700110.9D553 R554 I555 A559 S560 G561D553-Q557 PolarHBondContact O-N 3.2Å; R554-Q557 PolarHBondContact O-N 3.05Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 3.08Å; Q557-A559 PolarHBondContact O-N 3.36Å; Q557-S560 WeakPolarHBondContact O-CB 3.33Å; Q557-S560 PolarHBondContact O-N 3.01Å; Q557-S560 VanDerWaalsContact O-N 3.17Å; Q557-G561 PolarHBondContact O-N 2.79Å
558S82.4Confident87.2Confident68 Ų6851.2 Ų51.248%0.47626%0.263SS..Hα-helixtrans-58.5-44.3173.2-176.50000112.3R554 I555 S560 G561R554-S558 PolarHBondContact O-N 3.43Å; I555-S558 WeakPolarHBondContact O-CB 3.45Å; I555-S558 PolarHBondContact O-N 3.02Å; S558-S560 VanDerWaalsContact C-N 3.26Å; S558-S560 PolarHBondContact O-N 2.93Å; S558-G561 PolarHBondContact O-N 2.88Å
559A77.4Confident87.2Confident2 Ų251.2 Ų51.22%0.01726%0.263CS..Hα-helixtrans-56-41.9175.400000112.2I555 K556 Q557 G561 T562 F567 R621I555-A559 PolarHBondContact O-N 3.26Å; K556-A559 WeakPolarHBondContact O-CB 3.5Å; K556-A559 PolarHBondContact O-N 2.94Å; Q557-A559 PolarHBondContact O-N 3.36Å; A559-G561 PolarHBondContact O-N 3.04Å; A559-T562 PolarHBondContact O-N 2.84Å; A559-T562 VanDerWaalsContact O-N 3.09Å; A559-T562 PolarHBondContact O-OG1 3.42Å; A559-F567 HydrophobicContact CB-CD2 3.96Å; A559-F567 HydrophobicContact CB-CE2 3.65Å; A559-R621 HydrophobicContact CB-CB 4.1Å
560S71Confident87.3Confident62 Ų6252.7 Ų52.743%0.43427%0.27SS..Hα-helixtrans-68.4-17.1-175.5-55.50000113.9K556 Q557 S558K556-S560 PolarHBondContact O-N 3.07Å; K556-S560 VanDerWaalsContact O-N 3.11Å; K556-S560 PolarHBondContact O-OG 2.66Å; Q557-S560 WeakPolarHBondContact O-CB 3.33Å; Q557-S560 PolarHBondContact O-N 3.01Å; Q557-S560 VanDerWaalsContact O-N 3.17Å; S558-S560 VanDerWaalsContact C-N 3.26Å; S558-S560 PolarHBondContact O-N 2.93Å
561G66Low87.3Confident69 Ų6948.9 Ų48.971%0.71125%0.252SS*.THydrogen-bonded Turntrans-88.23.3173.100000114.7Q557 S558 A559Q557-G561 PolarHBondContact O-N 2.79Å; S558-G561 PolarHBondContact O-N 2.88Å; A559-G561 PolarHBondContact O-N 3.04Å
562T65.8Low87.3Confident47 Ų4749 Ų4929%0.28825%0.251SS..SBendtrans-133151.5-17355.30000112A559 R564 R565A559-T562 PolarHBondContact O-N 2.84Å; A559-T562 VanDerWaalsContact O-N 3.09Å; A559-T562 PolarHBondContact O-OG1 3.42Å; T562-R564 PolarHBondContact O-N 2.79Å; T562-R565 PolarHBondContact OG1-NH1 2.68Å
563K71.6Confident87.3Confident195 Ų19549.1 Ų49.185%0.84825%0.251SS*.SBendtrans-64.6118.7177.5-68.2-175.7178.5-178.80110.2
564R86.3Confident87.3Confident95 Ų9549.1 Ų49.136%0.35826%0.257SS..SBendtrans38.691167.6-67.6-175.7175.8165.8-6.7115.1T562 M615 Q620 V650 F651 D652T562-R564 PolarHBondContact O-N 2.79Å; R564-M615 HydrophobicContact CB-SD 4.33Å; R564-M615 HydrophobicContact CG-SD 4.48Å; R564-M615 PolarHBondContact NE-O 3.03Å; R564-M615 PolarHBondContact NH2-O 2.87Å; R564-Q620 VanDerWaalsContact CA-O 3.25Å; R564-Q620 WeakPolarHBondContact CA-O 3.5Å; R564-Q620 HydrophobicContact CG-CB 4.11Å; R564-Q620 HydrophobicContact CG-CG 4.2Å; R564-V650 WeakPolarHBondContact CB-O 3.25Å; R564-V650 WeakPolarHBondContact CD-O 3.3Å; R564-F651 HydrophobicContact CB-CB 4.23Å; R564-F651 CarbonylContact O-C 3.58Å; R564-F651 VanDerWaalsContact O-CA 3.23Å; R564-F651 WeakPolarHBondContact O-CA 3.23Å; R564-F651 WeakPolarHBondContact O-CB 3.45Å; R564-D652 PolarHBondContact O-N 2.92Å
565R90.3Very high87.5Confident45 Ų4543.7 Ų43.717%0.1724%0.237CC..EExtended strand (participates in β ladder)trans-131135.9-177.2-175168.8-77.3154.8-3.9114.8T562 F567 M615 Q620 R621 G622 D652T562-R565 PolarHBondContact OG1-NH1 2.68Å; R565-F567 HydrophobicContact CG-CD2 4.02Å; R565-F567 HydrophobicContact CG-CE2 3.68Å; R565-F567 HydrophobicContact CG-CZ 4.33Å; R565-M615 WeakPolarHBondContact O-CE 3.43Å; R565-Q620 PolarHBondContact N-O 3.32Å; R565-Q620 VanDerWaalsContact N-O 3.07Å; R565-R621 WeakPolarHBondContact O-CA 3.44Å; R565-G622 PolarHBondContact O-N 3.44Å; R565-D652 CarbonylContact C-O 3.13Å; R565-D652 VanDerWaalsContact CA-O 3.31Å; R565-D652 WeakPolarHBondContact CA-O 3.47Å; R565-D652 IonicContact CZ-OD2 3.94Å; R565-D652 VanDerWaalsContact CZ-OD2 3.24Å; R565-D652 IonicContact NE-OD2 3.2Å; R565-D652 PolarHBondContact NE-OD2 3.14Å; R565-D652 IonicContact NH2-OD2 3.96Å; R565-D652 PolarHBondContact NH2-OD2 3.47Å
566V92.6Very high87.8Confident0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-102.8134.4169.6-178.30000109.6M611 M615 G622 V624 Y643 F651 D652 C653 R654V566-M611 HydrophobicContact CG1-CE 4.24Å; V566-M611 HydrophobicContact CG2-CE 4.44Å; V566-M611 HydrophobicContact CG2-CG 3.57Å; V566-M611 HydrophobicContact CG2-SD 3.85Å; V566-M615 HydrophobicContact CG2-CE 3.5Å; V566-M615 VanDerWaalsContact CG2-CE 3.5Å; V566-G622 WeakPolarHBondContact CA-O 3.39Å; V566-V624 HydrophobicContact CG1-CG2 4.18Å; V566-Y643 HydrophobicContact CG1-CD1 4.12Å; V566-Y643 HydrophobicContact CG1-CE1 4.45Å; V566-F651 HydrophobicContact CB-CD2 3.98Å; V566-F651 HydrophobicContact CB-CE2 4.12Å; V566-F651 HydrophobicContact CG2-CB 4.3Å; V566-F651 HydrophobicContact CG2-CD1 4.18Å; V566-F651 HydrophobicContact CG2-CD2 3.33Å; V566-F651 HydrophobicContact CG2-CE1 4.36Å; V566-F651 HydrophobicContact CG2-CE2 3.56Å; V566-F651 HydrophobicContact CG2-CG 3.68Å; V566-F651 HydrophobicContact CG2-CZ 4.08Å; V566-D652 PolarHBondContact N-O 2.92Å; V566-C653 CarbonylContact O-C 3.51Å; V566-C653 WeakPolarHBondContact O-CA 3.43Å; V566-R654 PolarHBondContact O-N 3.1Å
567F95Very high88.2Confident14 Ų1442.1 Ų42.16%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-109.6130.8168.6-79-91000111.1I555 A559 R565 V569 G622 L623 V624 R654 N656I555-F567 HydrophobicContact CG2-CB 3.75Å; I555-F567 HydrophobicContact CG2-CD1 3.43Å; I555-F567 VanDerWaalsContact CG2-CD1 3.43Å; I555-F567 HydrophobicContact CG2-CD2 3.64Å; I555-F567 HydrophobicContact CG2-CE1 3.82Å; I555-F567 HydrophobicContact CG2-CE2 4.01Å; I555-F567 HydrophobicContact CG2-CG 3.31Å; I555-F567 HydrophobicContact CG2-CZ 4.09Å; A559-F567 HydrophobicContact CB-CD2 3.96Å; A559-F567 HydrophobicContact CB-CE2 3.65Å; R565-F567 HydrophobicContact CG-CD2 4.02Å; R565-F567 HydrophobicContact CG-CE2 3.68Å; R565-F567 HydrophobicContact CG-CZ 4.33Å; F567-V569 HydrophobicContact CB-CG2 4.24Å; F567-G622 PolarHBondContact N-O 3.22Å; F567-L623 HydrophobicContact CB-CD1 4.03Å; F567-V624 PolarHBondContact O-N 2.98Å; F567-R654 CarbonylContact C-O 3.49Å; F567-R654 WeakPolarHBondContact CA-O 3.05Å; F567-R654 HydrophobicContact CD1-CB 3.7Å; F567-R654 HydrophobicContact CE1-CB 3.53Å; F567-R654 HydrophobicContact CE1-CG 4.29Å; F567-R654 HydrophobicContact CG-CB 4.48Å; F567-R654 HydrophobicContact CZ-CB 4.17Å; F567-N656 VanDerWaalsContact CD1-OD1 3.23Å; F567-N656 WeakPolarHBondContact CD1-OD1 3.28Å; F567-N656 VanDerWaalsContact CE1-OD1 3.32Å; F567-N656 WeakPolarHBondContact CE1-OD1 3.26Å
568I96.8Very high88.7Confident0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-99.8113.4166.9-61.9163.8000106.8V624 T636 L639 Y643 C653 R654 T655 N656I568-V624 CarbonylContact C-O 3.57Å; I568-V624 WeakPolarHBondContact CA-O 3.29Å; I568-V624 HydrophobicContact CG1-CB 4.23Å; I568-V624 HydrophobicContact CG1-CG1 4.38Å; I568-T636 HydrophobicContact CG2-CG2 4.26Å; I568-L639 VanDerWaalsContact CD1-C 3.44Å; I568-L639 HydrophobicContact CD1-CB 3.89Å; I568-L639 WeakPolarHBondContact CD1-O 3.41Å; I568-L639 HydrophobicContact CG2-CB 4.5Å; I568-Y643 HydrophobicContact CD1-CD2 4.18Å; I568-Y643 HydrophobicContact CD1-CG 4.26Å; I568-C653 VanDerWaalsContact CD1-SG 3.59Å; I568-R654 PolarHBondContact N-O 3.14Å; I568-T655 HydrophobicContact CB-CG2 4.42Å; I568-T655 CarbonylContact O-C 3.54Å; I568-T655 VanDerWaalsContact O-CA 3.3Å; I568-T655 WeakPolarHBondContact O-CA 3.29Å; I568-N656 PolarHBondContact O-N 2.91Å
569V97.7Very high89.4Confident0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-111119.3-175.7-178.60000109.5I555 F567 L623 V624 L625 R626 N656 L658I555-V569 HydrophobicContact CD1-CG2 4.02Å; F567-V569 HydrophobicContact CB-CG2 4.24Å; V569-L623 HydrophobicContact CB-CD1 4.39Å; V569-L623 HydrophobicContact CG2-CD1 3.53Å; V569-V624 PolarHBondContact N-O 3.35Å; V569-L625 HydrophobicContact CB-CD2 3.7Å; V569-L625 HydrophobicContact CG1-CD2 4.25Å; V569-L625 HydrophobicContact CG2-CD2 4.42Å; V569-L625 WeakPolarHBondContact O-CA 3.35Å; V569-R626 PolarHBondContact O-N 3.09Å; V569-N656 CarbonylContact C-O 3.47Å; V569-N656 VanDerWaalsContact CA-O 3.29Å; V569-N656 WeakPolarHBondContact CA-O 3.46Å; V569-N656 HydrophobicContact CG2-CB 4.33Å; V569-L658 HydrophobicContact CG1-CD1 3.75Å; V569-L658 HydrophobicContact CG1-CD2 3.76Å; V569-L658 HydrophobicContact CG1-CG 3.53Å
570E98.3Very high90.3Very high35 Ų3532 Ų3216%0.16417%0.174CC..EExtended strand (participates in β ladder)trans-86128.9176.6-171176.810100110.8R626 E628 T636 N656 V657 L658E570-R626 CarbonylContact C-O 3.57Å; E570-R626 WeakPolarHBondContact CA-O 3.27Å; E570-R626 IonicContact OE2-CZ 2.68Å; E570-R626 IonicContact OE2-NH1 3.33Å; E570-R626 PolarHBondContact OE2-NH1 2.84Å; E570-E628 HydrophobicContact CG-CB 4.38Å; E570-T636 WeakPolarHBondContact OE2-CB 3.5Å; E570-T636 PolarHBondContact OE2-OG1 3.22Å; E570-N656 PolarHBondContact N-O 3.34Å; E570-V657 HydrophobicContact CB-CB 4.38Å; E570-V657 HydrophobicContact CB-CG1 4.35Å; E570-V657 HydrophobicContact CB-CG2 4.05Å; E570-V657 WeakPolarHBondContact OE1-CG1 3.42Å; E570-L658 PolarHBondContact O-N 2.9Å; E570-L658 VanDerWaalsContact O-N 3.14Å
571T97.8Very high91.6Very high1 Ų129.1 Ų29.11%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-114148.5179.853.60000110.2A580 R626 E628 L658T571-A580 WeakPolarHBondContact OG1-CB 3.24Å; T571-R626 PolarHBondContact N-O 3.3Å; T571-R626 PolarHBondContact OG1-O 3.09Å; T571-E628 PolarHBondContact O-N 3.12Å; T571-L658 HydrophobicContact CG2-CD1 4.31Å
572M96.9Very high93Very high28 Ų2826.4 Ų26.414%0.13812%0.123CC..  trans-75.8172.5173.9-76172.88500111I528 L579 E628 G659 Q662I528-M572 HydrophobicContact CD1-CB 4.03Å; I528-M572 HydrophobicContact CD1-CE 4.18Å; I528-M572 HydrophobicContact CD1-SD 4.03Å; M572-L579 HydrophobicContact CB-CD2 4.44Å; M572-E628 WeakPolarHBondContact CA-OE1 3.46Å; M572-G659 VanDerWaalsContact SD-O 3.36Å; M572-Q662 VanDerWaalsContact CG-NE2 3.31Å
573G94.4Very high94.6Very high1 Ų124.1 Ų24.11%0.0111%0.109CC..  trans158.3-5.4172.500000114.6S529 C576 E628S529-G573 WeakPolarHBondContact CB-O 3.33Å; S529-G573 WeakPolarHBondContact OG-CA 3.32Å; S529-G573 PolarHBondContact OG-O 3.12Å; G573-C576 WeakPolarHBondContact O-CB 3.46Å; G573-C576 PolarHBondContact O-N 3.49Å; G573-C576 VanDerWaalsContact O-N 3.12Å; G573-E628 PolarHBondContact N-OE1 2.97Å
574G95.8Very high95.7Very high23 Ų2314.9 Ų14.924%0.2377%0.069CC..THydrogen-bonded Turntrans57.6-136.2-156.300000108.8C576 N627 E628G574-C576 VanDerWaalsContact C-N 3.27Å; G574-C576 PolarHBondContact O-N 3.48Å; G574-N627 PolarHBondContact O-ND2 2.85Å; G574-N627 PolarHBondContact O-OD1 3.09Å; G574-N627 VanDerWaalsContact O-OD1 3.06Å; G574-E628 PolarHBondContact N-OE1 3.45Å
575Y96.4Very high96.2Very high45 Ų4510.5 Ų10.518%0.1765%0.053CC..THydrogen-bonded Turntrans-77.4-7172.8-64.5-81.2000113.8G577 F595 K629 H733Y575-G577 PolarHBondContact O-N 3.28Å; Y575-F595 HydrophobicContact CD1-CB 4.48Å; Y575-F595 HydrophobicContact CD1-CD1 4.2Å; Y575-F595 AromaticContact CD1-CD2 3.69Å; Y575-F595 HydrophobicContact CD1-CD2 3.69Å; Y575-F595 HydrophobicContact CD1-CE1 4.33Å; Y575-F595 AromaticContact CD1-CE2 3.84Å; Y575-F595 HydrophobicContact CD1-CE2 3.84Å; Y575-F595 AromaticContact CD1-CG 3.88Å; Y575-F595 HydrophobicContact CD1-CG 3.88Å; Y575-F595 HydrophobicContact CD1-CZ 4.17Å; Y575-F595 HydrophobicContact CE1-CD2 4.3Å; Y575-F595 HydrophobicContact CE1-CE2 4.18Å; Y575-F595 HydrophobicContact CG-CD1 4.47Å; Y575-F595 VanDerWaalsContact O-CB 3.3Å; Y575-F595 WeakPolarHBondContact O-CB 3.35Å; Y575-K629 HydrophobicContact CD1-CB 3.67Å; Y575-K629 HydrophobicContact CD1-CD 4.1Å; Y575-K629 HydrophobicContact CD2-CD 3.8Å; Y575-K629 HydrophobicContact CE1-CB 3.77Å; Y575-K629 HydrophobicContact CE1-CD 3.76Å; Y575-K629 HydrophobicContact CE1-CG 4.44Å; Y575-K629 HydrophobicContact CE2-CD 3.43Å; Y575-K629 VanDerWaalsContact CE2-CD 3.43Å; Y575-K629 HydrophobicContact CG-CB 4.13Å; Y575-K629 HydrophobicContact CG-CD 4.12Å; Y575-K629 VanDerWaalsContact CZ-CD 3.4Å; Y575-K629 PolarHBondContact OH-NZ 3.03Å; Y575-H733 AromaticContact CD1-CD2 3.84Å; Y575-H733 HydrophobicContact CD2-CB 3.87Å; Y575-H733 AromaticContact CD2-CD2 3.91Å; Y575-H733 WeakPolarHBondContact CD2-O 3.22Å; Y575-H733 AromaticContact CE1-CD2 3.89Å; Y575-H733 AromaticContact CE2-CD2 3.94Å; Y575-H733 HydrophobicContact CG-CB 3.97Å; Y575-H733 AromaticContact CG-CD2 3.86Å; Y575-H733 AromaticContact CZ-CD2 3.95Å
576C96.9Very high96.5Very high2 Ų28.4 Ų8.41%0.0145%0.045CC..  trans-83117.2179.8-173.60000111.9S529 N531 G573 G574 Y578 E596 N627 Q739S529-C576 PolarHBondContact O-SG 2.88Å; N531-C576 HydrophobicContact CB-CB 3.8Å; G573-C576 WeakPolarHBondContact O-CB 3.46Å; G573-C576 PolarHBondContact O-N 3.49Å; G573-C576 VanDerWaalsContact O-N 3.12Å; G574-C576 VanDerWaalsContact C-N 3.27Å; G574-C576 PolarHBondContact O-N 3.48Å; C576-Y578 VanDerWaalsContact C-N 3.28Å; C576-Y578 PolarHBondContact O-N 3.37Å; C576-E596 WeakPolarHBondContact CA-OE1 3.48Å; C576-N627 PolarHBondContact O-ND2 3.36Å; C576-Q739 PolarHBondContact SG-NE2 2.81Å
577G96.7Very high96.7Very high0 Ų08.5 Ų8.50%05%0.045CC..  trans-77.93.1179.700000116.4Y575 L579 A580 T581 V594 E596Y575-G577 PolarHBondContact O-N 3.28Å; G577-L579 PolarHBondContact O-N 3.12Å; G577-A580 PolarHBondContact O-N 3.42Å; G577-T581 WeakPolarHBondContact O-CB 3.47Å; G577-T581 PolarHBondContact O-N 2.66Å; G577-T581 PolarHBondContact O-OG1 2.76Å; G577-V594 VanDerWaalsContact CA-CG1 3.5Å; G577-E596 WeakPolarHBondContact CA-OE2 3.48Å; G577-E596 PolarHBondContact N-OE1 2.94Å; G577-E596 PolarHBondContact N-OE2 3.2Å
578Y96.9Very high96.6Very high11 Ų118.8 Ų8.84%0.0435%0.052CC..Hα-helixtrans-51.8-55.3-177.4174.2-100000112.1N530 V545 C576 A580 T581 V582 W740 W741N530-Y578 HydrophobicContact CB-CD1 3.49Å; N530-Y578 VanDerWaalsContact CB-CD1 3.49Å; N530-Y578 HydrophobicContact CB-CD2 4.19Å; N530-Y578 HydrophobicContact CB-CE1 3.93Å; N530-Y578 HydrophobicContact CB-CG 3.64Å; N530-Y578 WeakPolarHBondContact ND2-CE2 3.46Å; V545-Y578 HydrophobicContact CG2-CE1 3.9Å; C576-Y578 VanDerWaalsContact C-N 3.28Å; C576-Y578 PolarHBondContact O-N 3.37Å; Y578-A580 PolarHBondContact O-N 3.03Å; Y578-T581 PolarHBondContact O-N 3.09Å; Y578-V582 HydrophobicContact CD2-CG2 3.83Å; Y578-V582 HydrophobicContact CE1-CG2 4.49Å; Y578-V582 HydrophobicContact CE2-CG2 3.57Å; Y578-V582 HydrophobicContact CG-CG2 4.43Å; Y578-V582 WeakPolarHBondContact O-CG2 3.29Å; Y578-V582 PolarHBondContact O-N 2.91Å; Y578-W740 AromaticContact CE2-CZ2 3.92Å; Y578-W740 HydrophobicContact CE2-CZ2 3.92Å; Y578-W741 HydrophobicContact CD2-CB 4.04Å; Y578-W741 AromaticContact CD2-CD1 3.49Å; Y578-W741 VanDerWaalsContact CD2-CD1 3.49Å; Y578-W741 HydrophobicContact CD2-CD2 4.15Å; Y578-W741 AromaticContact CD2-CG 3.63Å; Y578-W741 HydrophobicContact CD2-CG 3.63Å; Y578-W741 AromaticContact CD2-NE1 3.91Å; Y578-W741 HydrophobicContact CE2-CB 4.38Å; Y578-W741 HydrophobicContact CE2-CG 4.4Å; Y578-W741 VanDerWaalsContact N-CZ2 3.33Å
579L96.8Very high96.5Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-61.8-47.9-174.8-17754.5000111.1A544 V545 A548 M572 G577 T581 T583 Q662A544-L579 HydrophobicContact CB-CD1 4.04Å; A544-L579 HydrophobicContact CB-CD2 4.38Å; V545-L579 HydrophobicContact CB-CD1 4.26Å; V545-L579 HydrophobicContact CG2-CD1 3.66Å; A548-L579 HydrophobicContact CB-CD1 4.28Å; M572-L579 HydrophobicContact CB-CD2 4.44Å; G577-L579 PolarHBondContact O-N 3.12Å; L579-T581 VanDerWaalsContact C-N 3.34Å; L579-T581 PolarHBondContact O-N 2.75Å; L579-T583 WeakPolarHBondContact O-CB 3.44Å; L579-T583 PolarHBondContact O-N 3.14Å; L579-T583 PolarHBondContact O-OG1 2.97Å; L579-T583 VanDerWaalsContact O-OG1 3.08Å; L579-Q662 HydrophobicContact CD2-CB 4.35Å
580A97.2Very high96.3Very high0 Ų09.3 Ų9.30%06%0.056CC..Hα-helixtrans-58.6-42.917500000112.7T571 G577 Y578 G584 V594 L625 N627T571-A580 WeakPolarHBondContact OG1-CB 3.24Å; G577-A580 PolarHBondContact O-N 3.42Å; Y578-A580 PolarHBondContact O-N 3.03Å; A580-G584 WeakPolarHBondContact O-CA 3.5Å; A580-G584 PolarHBondContact O-N 2.87Å; A580-V594 HydrophobicContact CB-CG1 3.57Å; A580-L625 WeakPolarHBondContact O-CD1 3.36Å; A580-N627 HydrophobicContact CB-CB 4.04Å
581T96.7Very high96Very high1 Ų17.9 Ų7.91%0.0065%0.05CC..Hα-helixtrans-70.8-51.3-176.6-61.20000111.7G577 Y578 L579 G584 I585 W741 R745G577-T581 WeakPolarHBondContact O-CB 3.47Å; G577-T581 PolarHBondContact O-N 2.66Å; G577-T581 PolarHBondContact O-OG1 2.76Å; Y578-T581 PolarHBondContact O-N 3.09Å; L579-T581 VanDerWaalsContact C-N 3.34Å; L579-T581 PolarHBondContact O-N 2.75Å; T581-G584 PolarHBondContact O-N 3.45Å; T581-I585 HydrophobicContact CG2-CD1 4.4Å; T581-I585 WeakPolarHBondContact O-CG1 3.22Å; T581-I585 PolarHBondContact O-N 3.47Å; T581-I585 VanDerWaalsContact O-N 3.08Å; T581-W741 HydrophobicContact CG2-CE3 3.98Å; T581-W741 HydrophobicContact CG2-CZ3 4.23Å; T581-W741 VanDerWaalsContact OG1-CZ3 3.26Å; T581-W741 WeakPolarHBondContact OG1-CZ3 3.32Å; T581-R745 HydrophobicContact CG2-CG 3.7Å
582V96.9Very high95.9Very high11 Ų118.5 Ų8.57%0.0676%0.055CC..Hα-helixtrans-70.6-42.9-175.6-177.30000110.8V311 V545 Y578 G584 I585 A586 L744V311-V582 HydrophobicContact CG2-CG1 3.96Å; V545-V582 HydrophobicContact CG1-CB 4.3Å; V545-V582 HydrophobicContact CG1-CG1 3.76Å; V545-V582 HydrophobicContact CG2-CB 4.21Å; V545-V582 HydrophobicContact CG2-CG1 4.17Å; Y578-V582 HydrophobicContact CD2-CG2 3.83Å; Y578-V582 HydrophobicContact CE1-CG2 4.49Å; Y578-V582 HydrophobicContact CE2-CG2 3.57Å; Y578-V582 HydrophobicContact CG-CG2 4.43Å; Y578-V582 WeakPolarHBondContact O-CG2 3.29Å; Y578-V582 PolarHBondContact O-N 2.91Å; V582-G584 VanDerWaalsContact C-N 3.27Å; V582-G584 PolarHBondContact O-N 3.29Å; V582-I585 PolarHBondContact O-N 3.44Å; V582-A586 WeakPolarHBondContact O-CB 3.47Å; V582-A586 PolarHBondContact O-N 2.91Å; V582-L744 HydrophobicContact CG2-CD1 4.42Å
583T97.6Very high95.9Very high0 Ų07.6 Ų7.60%05%0.05CC..Hα-helixtrans-60.1-40.3170.8-62.90000110.7A548 M549 L579 I585 A586 V587 L625A548-T583 HydrophobicContact CB-CG2 3.82Å; M549-T583 HydrophobicContact CB-CG2 4.46Å; L579-T583 WeakPolarHBondContact O-CB 3.44Å; L579-T583 PolarHBondContact O-N 3.14Å; L579-T583 PolarHBondContact O-OG1 2.97Å; L579-T583 VanDerWaalsContact O-OG1 3.08Å; T583-I585 VanDerWaalsContact C-N 3.31Å; T583-I585 PolarHBondContact O-N 2.86Å; T583-A586 PolarHBondContact O-N 3.32Å; T583-A586 VanDerWaalsContact O-N 3.15Å; T583-V587 HydrophobicContact CG2-CG1 3.92Å; T583-V587 WeakPolarHBondContact O-CG1 3.27Å; T583-V587 VanDerWaalsContact O-CG2 3.25Å; T583-V587 WeakPolarHBondContact O-CG2 3.21Å; T583-V587 PolarHBondContact O-N 2.88Å; T583-L625 HydrophobicContact CG2-CD1 3.93Å
584G96.7Very high96Very high0 Ų07.6 Ų7.60%05%0.05CC..Hα-helixtrans-56.6-41.8177.700000113.4A580 T581 V582 G588 A589 L625A580-G584 WeakPolarHBondContact O-CA 3.5Å; A580-G584 PolarHBondContact O-N 2.87Å; T581-G584 PolarHBondContact O-N 3.45Å; V582-G584 VanDerWaalsContact C-N 3.27Å; V582-G584 PolarHBondContact O-N 3.29Å; G584-G588 PolarHBondContact O-N 3.29Å; G584-G588 VanDerWaalsContact O-N 3.16Å; G584-A589 WeakPolarHBondContact O-CB 3.47Å; G584-A589 PolarHBondContact O-N 2.94Å; G584-L625 VanDerWaalsContact CA-CD1 3.4Å; G584-L625 VanDerWaalsContact N-CD1 3.3Å
585I95.9Very high96Very high4 Ų49.8 Ų9.82%0.0215%0.053CC..Hα-helixtrans-68.5-48.9174.3-62.6163.4000110.4I77 V311 T581 V582 T583 V587 G588 L744 M747 L748I77-I585 WeakPolarHBondContact CD1-O 3.14Å; V311-I585 HydrophobicContact CB-CG2 4.44Å; V311-I585 HydrophobicContact CG1-CG2 4.35Å; V311-I585 HydrophobicContact CG2-CB 4.2Å; V311-I585 HydrophobicContact CG2-CG2 4Å; T581-I585 HydrophobicContact CG2-CD1 4.4Å; T581-I585 WeakPolarHBondContact O-CG1 3.22Å; T581-I585 PolarHBondContact O-N 3.47Å; T581-I585 VanDerWaalsContact O-N 3.08Å; V582-I585 PolarHBondContact O-N 3.44Å; T583-I585 VanDerWaalsContact C-N 3.31Å; T583-I585 PolarHBondContact O-N 2.86Å; I585-V587 VanDerWaalsContact C-N 3.26Å; I585-V587 PolarHBondContact O-N 3.22Å; I585-G588 PolarHBondContact O-N 3.45Å; I585-G588 VanDerWaalsContact O-N 3.12Å; I585-L744 HydrophobicContact CD1-CB 3.58Å; I585-L744 HydrophobicContact CD1-CD1 4.31Å; I585-M747 HydrophobicContact CD1-SD 4.2Å; I585-M747 HydrophobicContact CG2-SD 4.01Å; I585-L748 HydrophobicContact CG1-CB 3.93Å; I585-L748 HydrophobicContact CG1-CD1 4.24Å; I585-L748 HydrophobicContact CG1-CG 4.38Å
586A96.8Very high95.8Very high0 Ų09.6 Ų9.60%05%0.054CC..Hα-helixtrans-60.4-30.1-177.700000114.1I77 A307 R310 V311 M549 V582 T583I77-A586 WeakPolarHBondContact CD1-O 3.46Å; A307-A586 HydrophobicContact CB-CB 4.21Å; R310-A586 HydrophobicContact CB-CB 4.39Å; R310-A586 WeakPolarHBondContact CD-O 3.49Å; R310-A586 PolarHBondContact NH1-O 3.38Å; V311-A586 HydrophobicContact CG2-CB 3.92Å; M549-A586 HydrophobicContact CG-CB 4.1Å; M549-A586 HydrophobicContact SD-CB 3.98Å; V582-A586 WeakPolarHBondContact O-CB 3.47Å; V582-A586 PolarHBondContact O-N 2.91Å; T583-A586 PolarHBondContact O-N 3.32Å; T583-A586 VanDerWaalsContact O-N 3.15Å
587V95.9Very high95.5Very high2 Ų212 Ų121%0.0127%0.066CC..Hα-helixtrans-95.6-13.1179.2-54.30000112.9M549 C552 K556 T583 I585 A589 L623M549-V587 HydrophobicContact CB-CG1 4.09Å; M549-V587 HydrophobicContact CG-CG1 3.82Å; C552-V587 HydrophobicContact CB-CB 4.14Å; C552-V587 HydrophobicContact CB-CG1 3.5Å; C552-V587 VanDerWaalsContact CB-CG1 3.5Å; C552-V587 HydrophobicContact CB-CG2 4.5Å; K556-V587 HydrophobicContact CD-CB 4.47Å; K556-V587 PolarHBondContact NZ-O 3.15Å; T583-V587 HydrophobicContact CG2-CG1 3.92Å; T583-V587 WeakPolarHBondContact O-CG1 3.27Å; T583-V587 VanDerWaalsContact O-CG2 3.25Å; T583-V587 WeakPolarHBondContact O-CG2 3.21Å; T583-V587 PolarHBondContact O-N 2.88Å; I585-V587 VanDerWaalsContact C-N 3.26Å; I585-V587 PolarHBondContact O-N 3.22Å; V587-A589 HydrophobicContact CG2-CB 3.84Å; V587-L623 HydrophobicContact CB-CD2 4.06Å; V587-L623 HydrophobicContact CG2-CD2 3.48Å; V587-L623 VanDerWaalsContact CG2-CD2 3.48Å
588G94.1Very high95.2Very high20 Ų2017.9 Ų17.921%0.20611%0.105CC..THydrogen-bonded Turntrans69.244.2-172.200000113.1G584 I585G584-G588 PolarHBondContact O-N 3.29Å; G584-G588 VanDerWaalsContact O-N 3.16Å; I585-G588 PolarHBondContact O-N 3.45Å; I585-G588 VanDerWaalsContact O-N 3.12Å
589A94.6Very high94.9Very high4 Ų418.2 Ų18.23%0.03311%0.107CC..  trans-63153.5177.700000112.2G584 V587 L623 L625G584-A589 WeakPolarHBondContact O-CB 3.47Å; G584-A589 PolarHBondContact O-N 2.94Å; V587-A589 HydrophobicContact CG2-CB 3.84Å; A589-L623 HydrophobicContact CB-CG 4.38Å; A589-L625 HydrophobicContact CB-CG 4.13Å
590D92.8Very high94.8Very high8 Ų821.5 Ų21.54%0.04312%0.124CC..SBendtrans-88.3-19.9178.9-60.5-70.4000112.8M611 K614 G622 L623 Y754D590-M611 HydrophobicContact CB-CE 3.49Å; D590-M611 VanDerWaalsContact CB-CE 3.49Å; D590-K614 WeakPolarHBondContact OD1-CE 3.05Å; D590-K614 IonicContact OD1-NZ 2.83Å; D590-K614 PolarHBondContact OD1-NZ 3.14Å; D590-K614 IonicContact OD2-NZ 3.79Å; D590-K614 PolarHBondContact OD2-NZ 2.98Å; D590-G622 VanDerWaalsContact OD2-CA 3.31Å; D590-G622 WeakPolarHBondContact OD2-CA 3.41Å; D590-L623 PolarHBondContact N-O 3.03Å; D590-L623 PolarHBondContact OD2-N 2.78Å; D590-Y754 WeakPolarHBondContact O-CE2 3.42Å; D590-Y754 VanDerWaalsContact O-CZ 3.27Å; D590-Y754 PolarHBondContact O-OH 2.67Å
591A93.1Very high94.5Very high5 Ų525 Ų254%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-157154.5171.700000110.1V624 L625A591-V624 HydrophobicContact CB-CG1 4.27Å; A591-V624 HydrophobicContact CB-CG2 4.36Å; A591-L625 PolarHBondContact O-N 2.89Å
592A95.6Very high94.3Very high14 Ų1431.1 Ų31.112%0.11617%0.17CC..EExtended strand (participates in β ladder)trans-136.8116.2168.700000109.1L625 L748A592-L625 CarbonylContact C-O 3.57Å; A592-L625 WeakPolarHBondContact CA-O 3.47Å; A592-L625 HydrophobicContact CB-CB 4.39Å; A592-L748 HydrophobicContact CB-CD1 3.69Å
593Y96.4Very high93.9Very high9 Ų933.8 Ų33.84%0.03518%0.184CC..EExtended strand (participates in β ladder)trans-93.8122.1175.9-60.8-64.9000109.9F599 L604 N607 V624 L625 N627 C630 L639 Y643Y593-F599 HydrophobicContact CD1-CD1 4.05Å; Y593-F599 AromaticContact CD1-CD2 4Å; Y593-F599 HydrophobicContact CD1-CD2 4Å; Y593-F599 HydrophobicContact CD1-CE1 4.04Å; Y593-F599 AromaticContact CD1-CE2 3.95Å; Y593-F599 HydrophobicContact CD1-CE2 3.95Å; Y593-F599 HydrophobicContact CD1-CG 4.05Å; Y593-F599 AromaticContact CD1-CZ 3.98Å; Y593-F599 HydrophobicContact CD1-CZ 3.98Å; Y593-F599 HydrophobicContact CE1-CD2 4.26Å; Y593-F599 HydrophobicContact CE1-CE2 4.42Å; Y593-F599 HydrophobicContact CG-CE1 4.32Å; Y593-F599 HydrophobicContact CG-CE2 4.41Å; Y593-F599 HydrophobicContact CG-CZ 4.13Å; Y593-L604 HydrophobicContact CD1-CD2 4.15Å; Y593-L604 HydrophobicContact CE1-CD2 3.39Å; Y593-L604 HydrophobicContact CE2-CD2 4.14Å; Y593-L604 WeakPolarHBondContact OH-CD2 3.41Å; Y593-N607 VanDerWaalsContact CE1-ND2 3.33Å; Y593-N607 WeakPolarHBondContact CE1-ND2 3.4Å; Y593-N607 WeakPolarHBondContact OH-CB 3.48Å; Y593-N607 PolarHBondContact OH-ND2 3.22Å; Y593-V624 HydrophobicContact CD2-CG1 3.85Å; Y593-V624 HydrophobicContact CE2-CG1 3.46Å; Y593-V624 VanDerWaalsContact CE2-CG1 3.46Å; Y593-L625 PolarHBondContact N-O 2.76Å; Y593-N627 PolarHBondContact O-N 3.42Å; Y593-C630 WeakPolarHBondContact O-CB 3.27Å; Y593-L639 HydrophobicContact CD2-CD1 3.83Å; Y593-L639 HydrophobicContact CE2-CD1 4.11Å; Y593-L639 HydrophobicContact CE2-CD2 4.34Å; Y593-Y643 PolarHBondContact OH-OH 3.29Å
594V96.1Very high93.7Very high0 Ų033.8 Ų33.80%018%0.184CC..  trans-143.5157.7-178.6-54.60000109.9G577 A580 E596 D597 N627 R745G577-V594 VanDerWaalsContact CA-CG1 3.5Å; A580-V594 HydrophobicContact CB-CG1 3.57Å; V594-E596 VanDerWaalsContact CB-OE2 3.3Å; V594-E596 WeakPolarHBondContact CB-OE2 3.42Å; V594-E596 VanDerWaalsContact CG2-OE2 3.24Å; V594-E596 WeakPolarHBondContact CG2-OE2 3.39Å; V594-E596 PolarHBondContact O-N 3.5Å; V594-D597 PolarHBondContact O-N 2.92Å; V594-N627 HydrophobicContact CB-CB 4.38Å; V594-N627 HydrophobicContact CG1-CB 4.02Å; V594-R745 VanDerWaalsContact CG2-NH1 3.31Å; V594-R745 VanDerWaalsContact CG2-NH2 3.32Å
595F95.6Very high93.4Very high69 Ų6939.3 Ų39.330%0.30321%0.208SC..THydrogen-bonded Turntrans-59.6-31.3-175.1-178.6-113.4000112.8Y575 D597 H733 M735Y575-F595 HydrophobicContact CD1-CB 4.48Å; Y575-F595 HydrophobicContact CD1-CD1 4.2Å; Y575-F595 AromaticContact CD1-CD2 3.69Å; Y575-F595 HydrophobicContact CD1-CD2 3.69Å; Y575-F595 HydrophobicContact CD1-CE1 4.33Å; Y575-F595 AromaticContact CD1-CE2 3.84Å; Y575-F595 HydrophobicContact CD1-CE2 3.84Å; Y575-F595 AromaticContact CD1-CG 3.88Å; Y575-F595 HydrophobicContact CD1-CG 3.88Å; Y575-F595 HydrophobicContact CD1-CZ 4.17Å; Y575-F595 HydrophobicContact CE1-CD2 4.3Å; Y575-F595 HydrophobicContact CE1-CE2 4.18Å; Y575-F595 HydrophobicContact CG-CD1 4.47Å; Y575-F595 VanDerWaalsContact O-CB 3.3Å; Y575-F595 WeakPolarHBondContact O-CB 3.35Å; F595-D597 VanDerWaalsContact C-N 3.34Å; F595-D597 PolarHBondContact O-N 3.14Å; F595-H733 HydrophobicContact CE1-CB 4.27Å; F595-H733 AromaticContact CE1-CD2 3.74Å; F595-H733 AromaticContact CE1-CG 3.78Å; F595-H733 AromaticContact CZ-CD2 3.36Å; F595-H733 WeakPolarHBondContact CZ-CD2 3.45Å; F595-H733 AromaticContact CZ-CG 3.84Å; F595-H733 AromaticContact CZ-NE2 3.48Å; F595-H733 WeakPolarHBondContact CZ-NE2 3.28Å; F595-M735 HydrophobicContact CD1-SD 4.16Å; F595-M735 HydrophobicContact CE1-SD 4.43Å
596E93.1Very high93.1Very high41 Ų4142.8 Ų42.819%0.19223%0.229CC..THydrogen-bonded Turntrans-80.9-5-175.1-49.891.7149.100114.3C576 G577 V594 M735 W741 L742 R745C576-E596 WeakPolarHBondContact CA-OE1 3.48Å; G577-E596 WeakPolarHBondContact CA-OE2 3.48Å; G577-E596 PolarHBondContact N-OE1 2.94Å; G577-E596 PolarHBondContact N-OE2 3.2Å; V594-E596 VanDerWaalsContact CB-OE2 3.3Å; V594-E596 WeakPolarHBondContact CB-OE2 3.42Å; V594-E596 VanDerWaalsContact CG2-OE2 3.24Å; V594-E596 WeakPolarHBondContact CG2-OE2 3.39Å; V594-E596 PolarHBondContact O-N 3.5Å; E596-M735 HydrophobicContact CG-CE 3.81Å; E596-M735 WeakPolarHBondContact OE1-CE 3.36Å; E596-W741 HydrophobicContact CG-CH2 4.3Å; E596-W741 VanDerWaalsContact OE1-CH2 3.26Å; E596-W741 WeakPolarHBondContact OE1-CH2 3.02Å; E596-W741 VanDerWaalsContact OE1-CZ2 3.25Å; E596-W741 WeakPolarHBondContact OE1-CZ2 3.43Å; E596-L742 HydrophobicContact CB-CD2 3.6Å; E596-L742 HydrophobicContact CG-CD2 4.1Å; E596-R745 PolarHBondContact O-NH1 2.67Å
597D89.9Confident92.9Very high52 Ų5243.9 Ų43.928%0.27824%0.235SC..SBendtrans-109.7107.8152.4-99.1-22.2000103.8V594 F595 F599 R745 K749V594-D597 PolarHBondContact O-N 2.92Å; F595-D597 VanDerWaalsContact C-N 3.34Å; F595-D597 PolarHBondContact O-N 3.14Å; D597-F599 WeakPolarHBondContact O-CD1 3.39Å; D597-F599 PolarHBondContact O-N 2.89Å; D597-R745 VanDerWaalsContact CB-NH1 3.33Å; D597-R745 VanDerWaalsContact CG-NH1 3.28Å; D597-R745 IonicContact OD1-CZ 2.71Å; D597-R745 IonicContact OD1-NH1 3.39Å; D597-R745 IonicContact OD2-CZ 3.93Å; D597-R745 IonicContact OD2-NE 3.35Å; D597-R745 IonicContact OD2-NH1 3.98Å; D597-R745 IonicContact OD2-NH2 3.94Å; D597-R745 PolarHBondContact OD2-NH2 3.4Å; D597-K749 IonicContact OD1-NZ 2.68Å; D597-K749 WeakPolarHBondContact OD2-CE 3.4Å; D597-K749 IonicContact OD2-NZ 3.06Å; D597-K749 PolarHBondContact OD2-NZ 3.31Å
598P89.6Confident92.7Very high124 Ų12444 Ų4481%0.80524%0.236SC*.  trans-57.4124.4158-23.134.9000108.8
599F92.4Very high92.5Very high19 Ų1947.7 Ų47.78%0.08325%0.248CC..  trans-127.5148.3177.763.7-87.5000110.2Y593 D597 D603 L604 C630 H631 Y634Y593-F599 HydrophobicContact CD1-CD1 4.05Å; Y593-F599 AromaticContact CD1-CD2 4Å; Y593-F599 HydrophobicContact CD1-CD2 4Å; Y593-F599 HydrophobicContact CD1-CE1 4.04Å; Y593-F599 AromaticContact CD1-CE2 3.95Å; Y593-F599 HydrophobicContact CD1-CE2 3.95Å; Y593-F599 HydrophobicContact CD1-CG 4.05Å; Y593-F599 AromaticContact CD1-CZ 3.98Å; Y593-F599 HydrophobicContact CD1-CZ 3.98Å; Y593-F599 HydrophobicContact CE1-CD2 4.26Å; Y593-F599 HydrophobicContact CE1-CE2 4.42Å; Y593-F599 HydrophobicContact CG-CE1 4.32Å; Y593-F599 HydrophobicContact CG-CE2 4.41Å; Y593-F599 HydrophobicContact CG-CZ 4.13Å; D597-F599 WeakPolarHBondContact O-CD1 3.39Å; D597-F599 PolarHBondContact O-N 2.89Å; F599-D603 WeakPolarHBondContact CA-OD2 3.27Å; F599-D603 HydrophobicContact CB-CB 4.2Å; F599-L604 HydrophobicContact CD2-CD1 4.38Å; F599-L604 HydrophobicContact CD2-CD2 3.65Å; F599-L604 HydrophobicContact CD2-CG 3.93Å; F599-L604 HydrophobicContact CE2-CD1 4.23Å; F599-L604 HydrophobicContact CE2-CD2 3.68Å; F599-L604 HydrophobicContact CE2-CG 4.17Å; F599-C630 HydrophobicContact CE1-CB 4.12Å; F599-H631 HydrophobicContact CE1-CB 4.32Å; F599-H631 HydrophobicContact CZ-CB 3.95Å; F599-Y634 AromaticContact CD2-CD2 3.97Å; F599-Y634 HydrophobicContact CD2-CD2 3.97Å; F599-Y634 HydrophobicContact CD2-CE2 4.41Å; F599-Y634 AromaticContact CE2-CD2 3.42Å; F599-Y634 HydrophobicContact CE2-CD2 3.42Å; F599-Y634 VanDerWaalsContact CE2-CD2 3.42Å; F599-Y634 HydrophobicContact CE2-CE2 4.28Å; F599-Y634 HydrophobicContact CE2-CG 4.13Å; F599-Y634 HydrophobicContact CZ-CD2 4.1Å
600N92.9Very high92.3Very high68 Ų6849.5 Ų49.536%0.36426%0.256SS..  trans-122.6178.3-178.878.685.8000111.5H602 D603 L604N600-H602 PolarHBondContact O-N 3.47Å; N600-H602 VanDerWaalsContact O-N 3.15Å; N600-H602 WeakPolarHBondContact OD1-CB 3.46Å; N600-H602 PolarHBondContact OD1-N 2.96Å; N600-H602 PolarHBondContact OD1-ND1 2.67Å; N600-D603 PolarHBondContact N-OD2 3Å; N600-D603 PolarHBondContact ND2-OD2 3.46Å; N600-D603 WeakPolarHBondContact O-CB 3.44Å; N600-D603 PolarHBondContact O-N 3.31Å; N600-L604 PolarHBondContact O-N 3.42Å; N600-L604 VanDerWaalsContact O-N 3.13Å
601I92.6Very high92.2Very high73 Ų7349.2 Ų49.237%0.37425%0.254SS..Hα-helixtrans-58.7-28.2-176.5-166.658.9000113.9L604 K605 F638 L642I601-L604 HydrophobicContact CD1-CD1 4.28Å; I601-K605 WeakPolarHBondContact O-CB 3.36Å; I601-K605 PolarHBondContact O-N 2.93Å; I601-F638 HydrophobicContact CD1-CZ 4.14Å; I601-L642 HydrophobicContact CD1-CD2 4.25Å
602H90.9Very high92Very high131 Ų13150 Ų5061%0.60626%0.258SS*.Hα-helixtrans-69.3-40.7175-59.387.7000111.7N600 L604 K605 V606N600-H602 PolarHBondContact O-N 3.47Å; N600-H602 VanDerWaalsContact O-N 3.15Å; N600-H602 WeakPolarHBondContact OD1-CB 3.46Å; N600-H602 PolarHBondContact OD1-N 2.96Å; N600-H602 PolarHBondContact OD1-ND1 2.67Å; H602-L604 VanDerWaalsContact C-N 3.35Å; H602-K605 PolarHBondContact O-N 3.03Å; H602-V606 WeakPolarHBondContact O-CG2 3.39Å; H602-V606 PolarHBondContact O-N 3.12Å
603D90.2Very high91.7Very high66 Ų6654.3 Ų54.335%0.35328%0.276SS..Hα-helixtrans-65.5-41.8177.2-52.6-56.3000110.7F599 N600 V606 N607F599-D603 WeakPolarHBondContact CA-OD2 3.27Å; F599-D603 HydrophobicContact CB-CB 4.2Å; N600-D603 PolarHBondContact N-OD2 3Å; N600-D603 PolarHBondContact ND2-OD2 3.46Å; N600-D603 WeakPolarHBondContact O-CB 3.44Å; N600-D603 PolarHBondContact O-N 3.31Å; D603-V606 PolarHBondContact O-N 3.37Å; D603-N607 PolarHBondContact O-N 3.37Å; D603-N607 PolarHBondContact O-ND2 2.86Å; D603-N607 PolarHBondContact O-OD1 3.24Å
604L92.4Very high91.3Very high0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-59.8-46173.5-65.1-177.6000111.7Y593 F599 N600 I601 H602 N607 V608 Y634 F638 L639 L642Y593-L604 HydrophobicContact CD1-CD2 4.15Å; Y593-L604 HydrophobicContact CE1-CD2 3.39Å; Y593-L604 HydrophobicContact CE2-CD2 4.14Å; Y593-L604 WeakPolarHBondContact OH-CD2 3.41Å; F599-L604 HydrophobicContact CD2-CD1 4.38Å; F599-L604 HydrophobicContact CD2-CD2 3.65Å; F599-L604 HydrophobicContact CD2-CG 3.93Å; F599-L604 HydrophobicContact CE2-CD1 4.23Å; F599-L604 HydrophobicContact CE2-CD2 3.68Å; F599-L604 HydrophobicContact CE2-CG 4.17Å; N600-L604 PolarHBondContact O-N 3.42Å; N600-L604 VanDerWaalsContact O-N 3.13Å; I601-L604 HydrophobicContact CD1-CD1 4.28Å; H602-L604 VanDerWaalsContact C-N 3.35Å; L604-N607 PolarHBondContact O-N 2.89Å; L604-V608 WeakPolarHBondContact O-CG2 3.4Å; L604-V608 PolarHBondContact O-N 3.06Å; L604-Y634 HydrophobicContact CD1-CD1 4.38Å; L604-Y634 HydrophobicContact CD1-CD2 4.13Å; L604-Y634 HydrophobicContact CD1-CE2 4.35Å; L604-Y634 HydrophobicContact CD1-CG 4.14Å; L604-F638 HydrophobicContact CD1-CE1 3.88Å; L604-L639 HydrophobicContact CD1-CD2 3.88Å; L604-L639 HydrophobicContact CD2-CD2 3.6Å; L604-L639 HydrophobicContact CG-CD2 4.37Å; L604-L642 HydrophobicContact CB-CD2 3.71Å; L604-L642 HydrophobicContact CD1-CD2 3.93Å; L604-L642 HydrophobicContact CG-CD2 4.4Å
605K90.8Very high90.9Very high116 Ų11655.4 Ų55.450%0.50428%0.281SS..Hα-helixtrans-59.2-47.6176.3178.6178.2168.5-1800111.5I601 H602 N607 V608 E609I601-K605 WeakPolarHBondContact O-CB 3.36Å; I601-K605 PolarHBondContact O-N 2.93Å; H602-K605 PolarHBondContact O-N 3.03Å; K605-N607 VanDerWaalsContact C-N 3.29Å; K605-N607 PolarHBondContact O-N 2.96Å; K605-V608 PolarHBondContact O-N 3.01Å; K605-V608 VanDerWaalsContact O-N 3.14Å; K605-E609 WeakPolarHBondContact CE-OE1 3.48Å; K605-E609 HydrophobicContact CG-CG 4.42Å; K605-E609 IonicContact NZ-OE1 3.77Å; K605-E609 WeakPolarHBondContact O-CG 3.49Å; K605-E609 PolarHBondContact O-N 3.34Å
606V89.9Confident90.4Very high77 Ų7757.5 Ų57.547%0.46729%0.29SS..Hα-helixtrans-58.6-40.6176.7168.50000111.4H602 D603 E609 H610H602-V606 WeakPolarHBondContact O-CG2 3.39Å; H602-V606 PolarHBondContact O-N 3.12Å; D603-V606 PolarHBondContact O-N 3.37Å; V606-E609 PolarHBondContact O-N 2.89Å; V606-H610 VanDerWaalsContact O-CB 3.29Å; V606-H610 WeakPolarHBondContact O-CB 3.37Å; V606-H610 PolarHBondContact O-N 3.09Å
607N91.2Very high90Very high24 Ų2458.5 Ų58.513%0.12830%0.299CS..Hα-helixtrans-68.9-33.4177.7-64.5-18.1000112.7Y593 D603 L604 K605 M611 Y754Y593-N607 VanDerWaalsContact CE1-ND2 3.33Å; Y593-N607 WeakPolarHBondContact CE1-ND2 3.4Å; Y593-N607 WeakPolarHBondContact OH-CB 3.48Å; Y593-N607 PolarHBondContact OH-ND2 3.22Å; D603-N607 PolarHBondContact O-N 3.37Å; D603-N607 PolarHBondContact O-ND2 2.86Å; D603-N607 PolarHBondContact O-OD1 3.24Å; L604-N607 PolarHBondContact O-N 2.89Å; K605-N607 VanDerWaalsContact C-N 3.29Å; K605-N607 PolarHBondContact O-N 2.96Å; N607-M611 WeakPolarHBondContact O-CB 3.29Å; N607-M611 PolarHBondContact O-N 3.4Å; N607-Y754 WeakPolarHBondContact OD1-CE1 3.31Å
608V92Very high89.6Confident4 Ų462.2 Ų62.22%0.02432%0.319CS..Hα-helixtrans-72.2-41.7173.3178.50000111.4L604 K605 M611 T612 L642 Y643 E646 F651L604-V608 WeakPolarHBondContact O-CG2 3.4Å; L604-V608 PolarHBondContact O-N 3.06Å; K605-V608 PolarHBondContact O-N 3.01Å; K605-V608 VanDerWaalsContact O-N 3.14Å; V608-M611 PolarHBondContact O-N 3.15Å; V608-T612 WeakPolarHBondContact O-CB 3.48Å; V608-T612 PolarHBondContact O-N 3.21Å; V608-T612 PolarHBondContact O-OG1 2.84Å; V608-L642 HydrophobicContact CG2-CG 4.5Å; V608-Y643 HydrophobicContact CG2-CD1 3.86Å; V608-Y643 HydrophobicContact CG2-CD2 3.62Å; V608-Y643 HydrophobicContact CG2-CE1 3.78Å; V608-Y643 HydrophobicContact CG2-CE2 3.56Å; V608-Y643 HydrophobicContact CG2-CG 3.79Å; V608-E646 HydrophobicContact CG1-CB 3.71Å; V608-F651 HydrophobicContact CG1-CZ 4.4Å
609E90.9Very high89.1Confident98 Ų9856.6 Ų56.646%0.45828%0.282SS..Hα-helixtrans-60.8-46.2174.8-73.1174.9167.500110.9K605 V606 M611 T612 E613K605-E609 WeakPolarHBondContact CE-OE1 3.48Å; K605-E609 HydrophobicContact CG-CG 4.42Å; K605-E609 IonicContact NZ-OE1 3.77Å; K605-E609 WeakPolarHBondContact O-CG 3.49Å; K605-E609 PolarHBondContact O-N 3.34Å; V606-E609 PolarHBondContact O-N 2.89Å; E609-M611 PolarHBondContact O-N 2.86Å; E609-T612 WeakPolarHBondContact O-CB 3.26Å; E609-T612 PolarHBondContact O-N 3.18Å; E609-T612 VanDerWaalsContact O-N 3.09Å; E609-E613 PolarHBondContact O-N 3.28Å
610H89.9Confident88.5Confident42 Ų4260.4 Ų60.419%0.19430%0.3CS..Hα-helixtrans-58.4-45.8174.3-175.773.1000112.5V606 T612 E613 K614 A752 Y754V606-H610 VanDerWaalsContact O-CB 3.29Å; V606-H610 WeakPolarHBondContact O-CB 3.37Å; V606-H610 PolarHBondContact O-N 3.09Å; H610-T612 VanDerWaalsContact C-N 3.29Å; H610-T612 PolarHBondContact O-N 2.93Å; H610-E613 PolarHBondContact O-N 2.94Å; H610-K614 VanDerWaalsContact O-CB 3.3Å; H610-K614 WeakPolarHBondContact O-CB 3.32Å; H610-K614 PolarHBondContact O-N 2.91Å; H610-A752 PolarHBondContact CE1-O 3.22Å; H610-A752 PolarHBondContact NE2-O 3.42Å; H610-Y754 HydrophobicContact CB-CE1 3.99Å; H610-Y754 AromaticContact CD2-CE1 3.69Å; H610-Y754 AromaticContact CD2-CE2 3.57Å; H610-Y754 AromaticContact CD2-CZ 3.28Å; H610-Y754 PolarHBondContact CD2-OH 2.83Å; H610-Y754 AromaticContact CG-CE1 3.83Å; H610-Y754 AromaticContact CG-CZ 3.91Å; H610-Y754 AromaticContact NE2-CD2 3.98Å; H610-Y754 AromaticContact NE2-CE2 3.63Å; H610-Y754 AromaticContact NE2-CZ 3.84Å
611M90.6Very high88.3Confident1 Ų159.4 Ų59.41%0.00529%0.291CS..Hα-helixtrans-62.1-37.4174.3-173.164.471.700112.1V566 D590 N607 V608 E609 K614 M615 G622 V624 Y643 F651V566-M611 HydrophobicContact CG1-CE 4.24Å; V566-M611 HydrophobicContact CG2-CE 4.44Å; V566-M611 HydrophobicContact CG2-CG 3.57Å; V566-M611 HydrophobicContact CG2-SD 3.85Å; D590-M611 HydrophobicContact CB-CE 3.49Å; D590-M611 VanDerWaalsContact CB-CE 3.49Å; N607-M611 WeakPolarHBondContact O-CB 3.29Å; N607-M611 PolarHBondContact O-N 3.4Å; V608-M611 PolarHBondContact O-N 3.15Å; E609-M611 PolarHBondContact O-N 2.86Å; M611-K614 WeakPolarHBondContact O-CB 3.47Å; M611-K614 PolarHBondContact O-N 2.91Å; M611-K614 HydrophobicContact SD-CD 4.12Å; M611-M615 HydrophobicContact CG-CG 4.49Å; M611-M615 WeakPolarHBondContact O-CB 3.49Å; M611-M615 WeakPolarHBondContact O-CG 3.14Å; M611-M615 PolarHBondContact O-N 3.42Å; M611-M615 HydrophobicContact SD-CE 4.23Å; M611-G622 VanDerWaalsContact SD-CA 3.58Å; M611-V624 HydrophobicContact CE-CG2 3.93Å; M611-Y643 HydrophobicContact CB-CE1 4.44Å; M611-F651 HydrophobicContact CB-CE1 4.49Å; M611-F651 HydrophobicContact CG-CD1 4.49Å; M611-F651 HydrophobicContact CG-CE1 4.02Å; M611-F651 HydrophobicContact CG-CZ 4.26Å
612T90.1Very high88.2Confident21 Ų2156.1 Ų56.113%0.12928%0.275CS..Hα-helixtrans-67-46.6179.3-580000111.2V608 E609 H610 M615 K616 V650V608-T612 WeakPolarHBondContact O-CB 3.48Å; V608-T612 PolarHBondContact O-N 3.21Å; V608-T612 PolarHBondContact O-OG1 2.84Å; E609-T612 WeakPolarHBondContact O-CB 3.26Å; E609-T612 PolarHBondContact O-N 3.18Å; E609-T612 VanDerWaalsContact O-N 3.09Å; H610-T612 VanDerWaalsContact C-N 3.29Å; H610-T612 PolarHBondContact O-N 2.93Å; T612-M615 PolarHBondContact O-N 3.43Å; T612-K616 PolarHBondContact O-N 2.95Å; T612-V650 HydrophobicContact CG2-CB 4.32Å; T612-V650 HydrophobicContact CG2-CG1 4.2Å; T612-V650 HydrophobicContact CG2-CG2 4.07Å
613E88.6Confident88.3Confident105 Ų10550.2 Ų50.249%0.49125%0.248SC..Hα-helixtrans-63.7-42.6174.5-64.6-47.213000111.7E609 H610 M615 K616E609-E613 PolarHBondContact O-N 3.28Å; H610-E613 PolarHBondContact O-N 2.94Å; E613-M615 VanDerWaalsContact C-N 3.29Å; E613-M615 PolarHBondContact O-N 3.02Å; E613-K616 WeakPolarHBondContact O-CB 3.4Å; E613-K616 PolarHBondContact O-N 3.49Å; E613-K616 VanDerWaalsContact O-N 3.13Å; E613-K616 IonicContact OE1-NZ 3.19Å; E613-K616 PolarHBondContact OE1-NZ 2.93Å; E613-K616 WeakPolarHBondContact OE2-CD 3.45Å; E613-K616 IonicContact OE2-NZ 2.63Å; E613-K616 PolarHBondContact OE2-NZ 3.07Å
614K87.9Confident88.6Confident33 Ų3347 Ų4714%0.14323%0.231CC..Hα-helixtrans-55.2-44.4173.8-172.9-162.5179.6-153.50111.6D590 H610 M611 K616 T617 I619 R621D590-K614 WeakPolarHBondContact OD1-CE 3.05Å; D590-K614 IonicContact OD1-NZ 2.83Å; D590-K614 PolarHBondContact OD1-NZ 3.14Å; D590-K614 IonicContact OD2-NZ 3.79Å; D590-K614 PolarHBondContact OD2-NZ 2.98Å; H610-K614 VanDerWaalsContact O-CB 3.3Å; H610-K614 WeakPolarHBondContact O-CB 3.32Å; H610-K614 PolarHBondContact O-N 2.91Å; M611-K614 WeakPolarHBondContact O-CB 3.47Å; M611-K614 PolarHBondContact O-N 2.91Å; M611-K614 HydrophobicContact SD-CD 4.12Å; K614-K616 VanDerWaalsContact C-N 3.29Å; K614-K616 PolarHBondContact O-N 3.41Å; K614-T617 WeakPolarHBondContact O-CB 3.39Å; K614-T617 PolarHBondContact O-N 3.39Å; K614-T617 PolarHBondContact O-OG1 3.45Å; K614-I619 HydrophobicContact CG-CB 4.37Å; K614-I619 HydrophobicContact CG-CD1 4.09Å; K614-R621 PolarHBondContact NZ-O 3.08Å
615M87.4Confident88.8Confident0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-72.7-14-179.4-72.9-70.7-163.500114.8R564 R565 V566 M611 T612 E613 T617 Q620 R621 G622 V650 F651R564-M615 HydrophobicContact CB-SD 4.33Å; R564-M615 HydrophobicContact CG-SD 4.48Å; R564-M615 PolarHBondContact NE-O 3.03Å; R564-M615 PolarHBondContact NH2-O 2.87Å; R565-M615 WeakPolarHBondContact O-CE 3.43Å; V566-M615 HydrophobicContact CG2-CE 3.5Å; V566-M615 VanDerWaalsContact CG2-CE 3.5Å; M611-M615 HydrophobicContact CG-CG 4.49Å; M611-M615 WeakPolarHBondContact O-CB 3.49Å; M611-M615 WeakPolarHBondContact O-CG 3.14Å; M611-M615 PolarHBondContact O-N 3.42Å; M611-M615 HydrophobicContact SD-CE 4.23Å; T612-M615 PolarHBondContact O-N 3.43Å; E613-M615 VanDerWaalsContact C-N 3.29Å; E613-M615 PolarHBondContact O-N 3.02Å; M615-T617 VanDerWaalsContact C-N 3.31Å; M615-Q620 VanDerWaalsContact SD-C 3.56Å; M615-R621 VanDerWaalsContact CE-C 3.41Å; M615-G622 VanDerWaalsContact CE-N 3.29Å; M615-V650 HydrophobicContact CB-CG1 3.89Å; M615-F651 HydrophobicContact CB-CD1 4.24Å; M615-F651 HydrophobicContact CE-CB 4.08Å; M615-F651 HydrophobicContact CE-CG 4.47Å; M615-F651 HydrophobicContact CG-CB 4.14Å; M615-F651 HydrophobicContact CG-CD1 3.85Å; M615-F651 HydrophobicContact CG-CG 4.31Å; M615-F651 HydrophobicContact SD-CB 4.37Å
616K85.9Confident89.1Confident113 Ų11342.2 Ų42.249%0.49121%0.21SC..Hα-helixtrans-74.8-22.7170.2-69.7170-174.4171.20112.5T612 E613 K614T612-K616 PolarHBondContact O-N 2.95Å; E613-K616 WeakPolarHBondContact O-CB 3.4Å; E613-K616 PolarHBondContact O-N 3.49Å; E613-K616 VanDerWaalsContact O-N 3.13Å; E613-K616 IonicContact OE1-NZ 3.19Å; E613-K616 PolarHBondContact OE1-NZ 2.93Å; E613-K616 WeakPolarHBondContact OE2-CD 3.45Å; E613-K616 IonicContact OE2-NZ 2.63Å; E613-K616 PolarHBondContact OE2-NZ 3.07Å; K614-K616 VanDerWaalsContact C-N 3.29Å; K614-K616 PolarHBondContact O-N 3.41Å
617T84.5Confident89.5Confident62 Ų6238.5 Ų38.538%0.3819%0.187SC..THydrogen-bonded Turntrans-76.8-173.7173.677.20000111.9K614 M615 I619K614-T617 WeakPolarHBondContact O-CB 3.39Å; K614-T617 PolarHBondContact O-N 3.39Å; K614-T617 PolarHBondContact O-OG1 3.45Å; M615-T617 VanDerWaalsContact C-N 3.31Å; T617-I619 PolarHBondContact O-N 2.74Å; T617-I619 PolarHBondContact OG1-N 3.01Å; T617-I619 VanDerWaalsContact OG1-N 3.17Å
618D80.1Confident89.7Confident130 Ų13040.3 Ų40.370%0.69520%0.195SC*.THydrogen-bonded Turntrans-67.1-9.1172.5-57.1-51.2000113.9L71 Q620L71-D618 HydrophobicContact CD1-CB 4.17Å; L71-D618 WeakPolarHBondContact CD1-OD2 3.38Å; D618-Q620 PolarHBondContact O-N 2.91Å
619I79.6Confident89.9Confident6 Ų644.3 Ų44.33%0.03121%0.212CC..  trans-78108.3174.8-48.5175.7000110.4L71 K614 T617 R621L71-I619 HydrophobicContact CD2-CD1 3.76Å; L71-I619 HydrophobicContact CD2-CG1 3.34Å; K614-I619 HydrophobicContact CG-CB 4.37Å; K614-I619 HydrophobicContact CG-CD1 4.09Å; T617-I619 PolarHBondContact O-N 2.74Å; T617-I619 PolarHBondContact OG1-N 3.01Å; T617-I619 VanDerWaalsContact OG1-N 3.17Å; I619-R621 HydrophobicContact CG2-CG 4.35Å
620Q80.6Confident90.1Very high98 Ų9839.9 Ų39.946%0.45819%0.192SC..  trans-9615.7-178.7-54.7-177.112.500114.5R564 R565 M615 D618R564-Q620 VanDerWaalsContact CA-O 3.25Å; R564-Q620 WeakPolarHBondContact CA-O 3.5Å; R564-Q620 HydrophobicContact CG-CB 4.11Å; R564-Q620 HydrophobicContact CG-CG 4.2Å; R565-Q620 PolarHBondContact N-O 3.32Å; R565-Q620 VanDerWaalsContact N-O 3.07Å; M615-Q620 VanDerWaalsContact SD-C 3.56Å; D618-Q620 PolarHBondContact O-N 2.91Å
621R87.6Confident90.4Very high47 Ų4740.8 Ų40.818%0.17720%0.196CC..EExtended strand (participates in β ladder)trans-141141.4-176.767.3-173.2-177.8-67.9-27.8113.4S74 N75 A559 R565 K614 M615 I619S74-R621 PolarHBondContact OG-NH2 3.33Å; N75-R621 VanDerWaalsContact OD1-CZ 3.25Å; N75-R621 PolarHBondContact OD1-NE 2.81Å; N75-R621 PolarHBondContact OD1-NH2 2.81Å; A559-R621 HydrophobicContact CB-CB 4.1Å; R565-R621 WeakPolarHBondContact O-CA 3.44Å; K614-R621 PolarHBondContact NZ-O 3.08Å; M615-R621 VanDerWaalsContact CE-C 3.41Å; I619-R621 HydrophobicContact CG2-CG 4.35Å
622G90.8Very high90.6Very high4 Ų446.4 Ų46.44%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-128.9143.6175.100000111.2R565 V566 F567 D590 M611 M615R565-G622 PolarHBondContact O-N 3.44Å; V566-G622 WeakPolarHBondContact CA-O 3.39Å; F567-G622 PolarHBondContact N-O 3.22Å; D590-G622 VanDerWaalsContact OD2-CA 3.31Å; D590-G622 WeakPolarHBondContact OD2-CA 3.41Å; M611-G622 VanDerWaalsContact SD-CA 3.58Å; M615-G622 VanDerWaalsContact CE-N 3.29Å
623L93.9Very high90.8Very high7 Ų754.1 Ų54.14%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-135.2122.1175.3-177.961.8000110.2C552 K556 F567 V569 V587 A589 D590 L625C552-L623 HydrophobicContact CB-CD2 4.08Å; K556-L623 HydrophobicContact CD-CD2 3.83Å; K556-L623 HydrophobicContact CG-CD2 4.03Å; F567-L623 HydrophobicContact CB-CD1 4.03Å; V569-L623 HydrophobicContact CB-CD1 4.39Å; V569-L623 HydrophobicContact CG2-CD1 3.53Å; V587-L623 HydrophobicContact CB-CD2 4.06Å; V587-L623 HydrophobicContact CG2-CD2 3.48Å; V587-L623 VanDerWaalsContact CG2-CD2 3.48Å; A589-L623 HydrophobicContact CB-CG 4.38Å; D590-L623 PolarHBondContact N-O 3.03Å; D590-L623 PolarHBondContact OD2-N 2.78Å; L623-L625 HydrophobicContact CD1-CD2 4.21Å; L623-L625 HydrophobicContact CG-CD2 4.19Å
624V96Very high91.1Very high0 Ų051.2 Ų51.20%024%0.239CC..EExtended strand (participates in β ladder)trans-121.1123.6-178.3172.30000107.2V566 F567 I568 V569 A591 Y593 M611 Y643V566-V624 HydrophobicContact CG1-CG2 4.18Å; F567-V624 PolarHBondContact O-N 2.98Å; I568-V624 CarbonylContact C-O 3.57Å; I568-V624 WeakPolarHBondContact CA-O 3.29Å; I568-V624 HydrophobicContact CG1-CB 4.23Å; I568-V624 HydrophobicContact CG1-CG1 4.38Å; V569-V624 PolarHBondContact N-O 3.35Å; A591-V624 HydrophobicContact CB-CG1 4.27Å; A591-V624 HydrophobicContact CB-CG2 4.36Å; Y593-V624 HydrophobicContact CD2-CG1 3.85Å; Y593-V624 HydrophobicContact CE2-CG1 3.46Å; Y593-V624 VanDerWaalsContact CE2-CG1 3.46Å; M611-V624 HydrophobicContact CE-CG2 3.93Å; V624-Y643 HydrophobicContact CG2-CE1 3.98Å
625L97.2Very high91.5Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-96.7143.8174.1-55.9-167.5000110.5V569 A580 T583 G584 A589 A591 A592 Y593 L623V569-L625 HydrophobicContact CB-CD2 3.7Å; V569-L625 HydrophobicContact CG1-CD2 4.25Å; V569-L625 HydrophobicContact CG2-CD2 4.42Å; V569-L625 WeakPolarHBondContact O-CA 3.35Å; A580-L625 WeakPolarHBondContact O-CD1 3.36Å; T583-L625 HydrophobicContact CG2-CD1 3.93Å; G584-L625 VanDerWaalsContact CA-CD1 3.4Å; G584-L625 VanDerWaalsContact N-CD1 3.3Å; A589-L625 HydrophobicContact CB-CG 4.13Å; A591-L625 PolarHBondContact O-N 2.89Å; A592-L625 CarbonylContact C-O 3.57Å; A592-L625 WeakPolarHBondContact CA-O 3.47Å; A592-L625 HydrophobicContact CB-CB 4.39Å; Y593-L625 PolarHBondContact N-O 2.76Å; L623-L625 HydrophobicContact CD1-CD2 4.21Å; L623-L625 HydrophobicContact CG-CD2 4.19Å
626R97.3Very high91.9Very high14 Ų1452.9 Ų52.95%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-127.9128.8173.6-172.9-149.9174.2-114.5-18.2108.3V569 E570 T571 E628 C630 H631 Y634 T636 L639V569-R626 PolarHBondContact O-N 3.09Å; E570-R626 CarbonylContact C-O 3.57Å; E570-R626 WeakPolarHBondContact CA-O 3.27Å; E570-R626 IonicContact OE2-CZ 2.68Å; E570-R626 IonicContact OE2-NH1 3.33Å; E570-R626 PolarHBondContact OE2-NH1 2.84Å; T571-R626 PolarHBondContact N-O 3.3Å; T571-R626 PolarHBondContact OG1-O 3.09Å; R626-E628 VanDerWaalsContact CZ-O 3.31Å; R626-E628 PolarHBondContact NH1-O 2.88Å; R626-E628 PolarHBondContact NH2-O 2.88Å; R626-C630 VanDerWaalsContact CG-SG 3.55Å; R626-H631 PolarHBondContact NH2-O 2.66Å; R626-Y634 PolarHBondContact NE-O 2.82Å; R626-T636 WeakPolarHBondContact CD-OG1 3.33Å; R626-L639 HydrophobicContact CB-CD1 4.43Å; R626-L639 HydrophobicContact CG-CD1 4.03Å
627N97.5Very high92.4Very high0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-76.1139.2163.7158.8-87000109.7G574 C576 A580 Y593 V594 K629 C630G574-N627 PolarHBondContact O-ND2 2.85Å; G574-N627 PolarHBondContact O-OD1 3.09Å; G574-N627 VanDerWaalsContact O-OD1 3.06Å; C576-N627 PolarHBondContact O-ND2 3.36Å; A580-N627 HydrophobicContact CB-CB 4.04Å; Y593-N627 PolarHBondContact O-N 3.42Å; V594-N627 HydrophobicContact CB-CB 4.38Å; V594-N627 HydrophobicContact CG1-CB 4.02Å; N627-K629 PolarHBondContact O-N 2.87Å; N627-K629 VanDerWaalsContact OD1-C 3.3Å; N627-K629 PolarHBondContact OD1-N 2.82Å; N627-C630 HydrophobicContact CB-CB 4.3Å; N627-C630 WeakPolarHBondContact O-CB 3.47Å; N627-C630 PolarHBondContact O-N 3.3Å; N627-C630 PolarHBondContact O-SG 2.84Å; N627-C630 VanDerWaalsContact O-SG 3.41Å; N627-C630 PolarHBondContact OD1-N 3.46Å; N627-C630 VanDerWaalsContact OD1-N 3.08Å
628E95.3Very high92.9Very high61 Ų6154.4 Ų54.429%0.28526%0.256SS..THydrogen-bonded Turntrans-51.3-32-174.159.1-177.1161.700115.1E570 T571 M572 G573 G574 R626E570-E628 HydrophobicContact CG-CB 4.38Å; T571-E628 PolarHBondContact O-N 3.12Å; M572-E628 WeakPolarHBondContact CA-OE1 3.46Å; G573-E628 PolarHBondContact N-OE1 2.97Å; G574-E628 PolarHBondContact N-OE1 3.45Å; R626-E628 VanDerWaalsContact CZ-O 3.31Å; R626-E628 PolarHBondContact NH1-O 2.88Å; R626-E628 PolarHBondContact NH2-O 2.88Å
629K96.3Very high93.7Very high89 Ų8948.2 Ų48.239%0.38722%0.222SC..THydrogen-bonded Turntrans-117.929.3178.7-61.4-158.4171.1-161.30114.2Y575 N627 H631Y575-K629 HydrophobicContact CD1-CB 3.67Å; Y575-K629 HydrophobicContact CD1-CD 4.1Å; Y575-K629 HydrophobicContact CD2-CD 3.8Å; Y575-K629 HydrophobicContact CE1-CB 3.77Å; Y575-K629 HydrophobicContact CE1-CD 3.76Å; Y575-K629 HydrophobicContact CE1-CG 4.44Å; Y575-K629 HydrophobicContact CE2-CD 3.43Å; Y575-K629 VanDerWaalsContact CE2-CD 3.43Å; Y575-K629 HydrophobicContact CG-CB 4.13Å; Y575-K629 HydrophobicContact CG-CD 4.12Å; Y575-K629 VanDerWaalsContact CZ-CD 3.4Å; Y575-K629 PolarHBondContact OH-NZ 3.03Å; N627-K629 PolarHBondContact O-N 2.87Å; N627-K629 VanDerWaalsContact OD1-C 3.3Å; N627-K629 PolarHBondContact OD1-N 2.82Å; K629-H631 PolarHBondContact O-N 3.37Å
630C95.1Very high94.4Very high5 Ų551.5 Ų51.53%0.03424%0.235CC..SBendtrans-63.8-28.1-179.869.20000114Y593 F599 R626 N627Y593-C630 WeakPolarHBondContact O-CB 3.27Å; F599-C630 HydrophobicContact CE1-CB 4.12Å; R626-C630 VanDerWaalsContact CG-SG 3.55Å; N627-C630 HydrophobicContact CB-CB 4.3Å; N627-C630 WeakPolarHBondContact O-CB 3.47Å; N627-C630 PolarHBondContact O-N 3.3Å; N627-C630 PolarHBondContact O-SG 2.84Å; N627-C630 VanDerWaalsContact O-SG 3.41Å; N627-C630 PolarHBondContact OD1-N 3.46Å; N627-C630 VanDerWaalsContact OD1-N 3.08Å
631H96.3Very high95.1Very high60 Ų6050.8 Ų50.828%0.27823%0.234SC..  trans-166.6143.4177.1-169-103.4000109.1F599 R626 K629 Y633 Y634F599-H631 HydrophobicContact CE1-CB 4.32Å; F599-H631 HydrophobicContact CZ-CB 3.95Å; R626-H631 PolarHBondContact NH2-O 2.66Å; K629-H631 PolarHBondContact O-N 3.37Å; H631-Y633 AromaticContact CE1-CD2 3.92Å; H631-Y633 PolarHBondContact ND1-N 3.47Å; H631-Y634 HydrophobicContact CB-CD2 4.05Å; H631-Y634 HydrophobicContact CB-CG 4.37Å; H631-Y634 AromaticContact CD2-CD2 3.99Å; H631-Y634 AromaticContact CE1-CD2 3.4Å; H631-Y634 WeakPolarHBondContact CE1-CD2 3.24Å; H631-Y634 AromaticContact CE1-CE2 3.4Å; H631-Y634 VanDerWaalsContact CE1-CE2 3.4Å; H631-Y634 WeakPolarHBondContact CE1-CE2 3.34Å; H631-Y634 AromaticContact CE1-CG 3.79Å; H631-Y634 AromaticContact CE1-CZ 3.79Å; H631-Y634 AromaticContact CG-CD2 3.49Å; H631-Y634 VanDerWaalsContact CG-CD2 3.49Å; H631-Y634 AromaticContact CG-CG 3.95Å; H631-Y634 AromaticContact ND1-CD1 3.87Å; H631-Y634 AromaticContact ND1-CD2 3.08Å; H631-Y634 WeakPolarHBondContact ND1-CD2 3.41Å; H631-Y634 AromaticContact ND1-CE2 3.64Å; H631-Y634 AromaticContact ND1-CG 3.23Å; H631-Y634 PolarHBondContact ND1-N 2.64Å; H631-Y634 VanDerWaalsContact ND1-N 3.15Å; H631-Y634 AromaticContact NE2-CD2 3.94Å; H631-Y634 AromaticContact NE2-CE2 3.8Å
632D93.9Very high95.5Very high119 Ų11950 Ų5064%0.63623%0.233SC*.SBendtrans-69.5-42.7-175.2-61.6-42.5000112.8
633Y94.9Very high95.6Very high183 Ų18349.8 Ų49.872%0.71823%0.231SC*.SBendtrans-92.8-18.1-176.2-55.1-71.8000114.2H631 T635H631-Y633 AromaticContact CE1-CD2 3.92Å; H631-Y633 PolarHBondContact ND1-N 3.47Å; Y633-T635 VanDerWaalsContact C-N 3.31Å; Y633-T635 PolarHBondContact O-N 2.95Å
634Y95Very high95.6Very high44 Ų4451.4 Ų51.417%0.17324%0.243CC..SBendtrans-98.166.5-178.7-54.3-34000109F599 L604 R626 H631 F638F599-Y634 AromaticContact CD2-CD2 3.97Å; F599-Y634 HydrophobicContact CD2-CD2 3.97Å; F599-Y634 HydrophobicContact CD2-CE2 4.41Å; F599-Y634 AromaticContact CE2-CD2 3.42Å; F599-Y634 HydrophobicContact CE2-CD2 3.42Å; F599-Y634 VanDerWaalsContact CE2-CD2 3.42Å; F599-Y634 HydrophobicContact CE2-CE2 4.28Å; F599-Y634 HydrophobicContact CE2-CG 4.13Å; F599-Y634 HydrophobicContact CZ-CD2 4.1Å; L604-Y634 HydrophobicContact CD1-CD1 4.38Å; L604-Y634 HydrophobicContact CD1-CD2 4.13Å; L604-Y634 HydrophobicContact CD1-CE2 4.35Å; L604-Y634 HydrophobicContact CD1-CG 4.14Å; R626-Y634 PolarHBondContact NE-O 2.82Å; H631-Y634 HydrophobicContact CB-CD2 4.05Å; H631-Y634 HydrophobicContact CB-CG 4.37Å; H631-Y634 AromaticContact CD2-CD2 3.99Å; H631-Y634 AromaticContact CE1-CD2 3.4Å; H631-Y634 WeakPolarHBondContact CE1-CD2 3.24Å; H631-Y634 AromaticContact CE1-CE2 3.4Å; H631-Y634 VanDerWaalsContact CE1-CE2 3.4Å; H631-Y634 WeakPolarHBondContact CE1-CE2 3.34Å; H631-Y634 AromaticContact CE1-CG 3.79Å; H631-Y634 AromaticContact CE1-CZ 3.79Å; H631-Y634 AromaticContact CG-CD2 3.49Å; H631-Y634 VanDerWaalsContact CG-CD2 3.49Å; H631-Y634 AromaticContact CG-CG 3.95Å; H631-Y634 AromaticContact ND1-CD1 3.87Å; H631-Y634 AromaticContact ND1-CD2 3.08Å; H631-Y634 WeakPolarHBondContact ND1-CD2 3.41Å; H631-Y634 AromaticContact ND1-CE2 3.64Å; H631-Y634 AromaticContact ND1-CG 3.23Å; H631-Y634 PolarHBondContact ND1-N 2.64Å; H631-Y634 VanDerWaalsContact ND1-N 3.15Å; H631-Y634 AromaticContact NE2-CD2 3.94Å; H631-Y634 AromaticContact NE2-CE2 3.8Å; Y634-F638 AromaticContact CD1-CD1 3.61Å; Y634-F638 HydrophobicContact CD1-CD1 3.61Å; Y634-F638 AromaticContact CD1-CE1 3.41Å; Y634-F638 HydrophobicContact CD1-CE1 3.41Å; Y634-F638 VanDerWaalsContact CD1-CE1 3.41Å; Y634-F638 HydrophobicContact CD1-CG 4.35Å; Y634-F638 HydrophobicContact CD1-CZ 4.01Å; Y634-F638 AromaticContact CE1-CE1 3.9Å; Y634-F638 HydrophobicContact CE1-CE1 3.9Å; Y634-F638 HydrophobicContact CE1-CZ 4.12Å; Y634-F638 HydrophobicContact CG-CD1 4.2Å; Y634-F638 HydrophobicContact CG-CE1 4.19Å
635T95.9Very high95.4Very high55 Ų5555.1 Ų55.134%0.33727%0.27SS..  trans-68.516617968.80000111.3Y633 E637 F638 L639Y633-T635 VanDerWaalsContact C-N 3.31Å; Y633-T635 PolarHBondContact O-N 2.95Å; T635-E637 PolarHBondContact O-N 2.84Å; T635-E637 PolarHBondContact OG1-N 3.16Å; T635-F638 PolarHBondContact O-N 3.47Å; T635-F638 VanDerWaalsContact O-N 3.15Å; T635-F638 PolarHBondContact OG1-N 2.95Å; T635-L639 WeakPolarHBondContact O-CG 3.3Å; T635-L639 PolarHBondContact O-N 3.3Å
636T96Very high95.1Very high13 Ų1359 Ų598%0.0829%0.288CS..Hα-helixtrans-56.7-34.8172.4-680000112.3I568 E570 R626 Y640 T655I568-T636 HydrophobicContact CG2-CG2 4.26Å; E570-T636 WeakPolarHBondContact OE2-CB 3.5Å; E570-T636 PolarHBondContact OE2-OG1 3.22Å; R626-T636 WeakPolarHBondContact CD-OG1 3.33Å; T636-Y640 VanDerWaalsContact O-CB 3.27Å; T636-Y640 WeakPolarHBondContact O-CB 3.25Å; T636-Y640 PolarHBondContact O-N 3.49Å; T636-T655 HydrophobicContact CG2-CG2 3.61Å
637E96.1Very high94.5Very high136 Ų13658.4 Ų58.464%0.63629%0.285SS*.Hα-helixtrans-69.9-43.4174.5-175.7178.3-174.700112.4T635 Y640 N641T635-E637 PolarHBondContact O-N 2.84Å; T635-E637 PolarHBondContact OG1-N 3.16Å; E637-Y640 WeakPolarHBondContact O-CB 3.38Å; E637-Y640 PolarHBondContact O-N 3.16Å; E637-N641 PolarHBondContact O-N 2.73Å; E637-N641 PolarHBondContact O-ND2 3.48Å
638F96.1Very high93.8Very high71 Ų7165.8 Ų65.831%0.31132%0.318SS..Hα-helixtrans-60.2-47.9174.9175.4-93.9000111.5I601 L604 Y634 T635 Y640 N641 L642I601-F638 HydrophobicContact CD1-CZ 4.14Å; L604-F638 HydrophobicContact CD1-CE1 3.88Å; Y634-F638 AromaticContact CD1-CD1 3.61Å; Y634-F638 HydrophobicContact CD1-CD1 3.61Å; Y634-F638 AromaticContact CD1-CE1 3.41Å; Y634-F638 HydrophobicContact CD1-CE1 3.41Å; Y634-F638 VanDerWaalsContact CD1-CE1 3.41Å; Y634-F638 HydrophobicContact CD1-CG 4.35Å; Y634-F638 HydrophobicContact CD1-CZ 4.01Å; Y634-F638 AromaticContact CE1-CE1 3.9Å; Y634-F638 HydrophobicContact CE1-CE1 3.9Å; Y634-F638 HydrophobicContact CE1-CZ 4.12Å; Y634-F638 HydrophobicContact CG-CD1 4.2Å; Y634-F638 HydrophobicContact CG-CE1 4.19Å; T635-F638 PolarHBondContact O-N 3.47Å; T635-F638 VanDerWaalsContact O-N 3.15Å; T635-F638 PolarHBondContact OG1-N 2.95Å; F638-Y640 VanDerWaalsContact C-N 3.3Å; F638-Y640 PolarHBondContact O-N 3.43Å; F638-N641 PolarHBondContact O-N 2.84Å; F638-L642 HydrophobicContact CE1-CD2 4.17Å; F638-L642 WeakPolarHBondContact O-CB 3.26Å; F638-L642 PolarHBondContact O-N 2.96Å
639L95.7Very high93.2Very high0 Ų066.6 Ų66.60%034%0.342CS..Hα-helixtrans-62.1-39.2177.4-67.6176.4000111.3I568 Y593 L604 R626 T635 L642 Y643I568-L639 VanDerWaalsContact CD1-C 3.44Å; I568-L639 HydrophobicContact CD1-CB 3.89Å; I568-L639 WeakPolarHBondContact CD1-O 3.41Å; I568-L639 HydrophobicContact CG2-CB 4.5Å; Y593-L639 HydrophobicContact CD2-CD1 3.83Å; Y593-L639 HydrophobicContact CE2-CD1 4.11Å; Y593-L639 HydrophobicContact CE2-CD2 4.34Å; L604-L639 HydrophobicContact CD1-CD2 3.88Å; L604-L639 HydrophobicContact CD2-CD2 3.6Å; L604-L639 HydrophobicContact CG-CD2 4.37Å; R626-L639 HydrophobicContact CB-CD1 4.43Å; R626-L639 HydrophobicContact CG-CD1 4.03Å; T635-L639 WeakPolarHBondContact O-CG 3.3Å; T635-L639 PolarHBondContact O-N 3.3Å; L639-L642 PolarHBondContact O-N 2.78Å; L639-Y643 WeakPolarHBondContact O-CB 3.44Å; L639-Y643 VanDerWaalsContact O-CD2 3.27Å; L639-Y643 WeakPolarHBondContact O-CD2 3.27Å; L639-Y643 PolarHBondContact O-N 2.88Å
640Y95.8Very high92.8Very high75 Ų7564 Ų6429%0.29433%0.334SS..Hα-helixtrans-60.7-48.4173.9165.3-103000112.8T636 E637 F638 L642 S644 C653 T655T636-Y640 VanDerWaalsContact O-CB 3.27Å; T636-Y640 WeakPolarHBondContact O-CB 3.25Å; T636-Y640 PolarHBondContact O-N 3.49Å; E637-Y640 WeakPolarHBondContact O-CB 3.38Å; E637-Y640 PolarHBondContact O-N 3.16Å; F638-Y640 VanDerWaalsContact C-N 3.3Å; F638-Y640 PolarHBondContact O-N 3.43Å; Y640-L642 VanDerWaalsContact C-N 3.33Å; Y640-L642 PolarHBondContact O-N 3.39Å; Y640-S644 WeakPolarHBondContact CE2-OG 3.27Å; Y640-S644 WeakPolarHBondContact O-CB 3.44Å; Y640-S644 PolarHBondContact O-N 3.38Å; Y640-S644 PolarHBondContact O-OG 3.34Å; Y640-C653 HydrophobicContact CD2-CB 4.11Å; Y640-C653 HydrophobicContact CE2-CB 4.26Å; Y640-C653 WeakPolarHBondContact CE2-O 3.22Å; Y640-T655 HydrophobicContact CD2-CG2 3.97Å; Y640-T655 HydrophobicContact CG-CG2 3.89Å
641N95.2Very high92.6Very high83 Ų8364.3 Ų64.344%0.44433%0.334SS..Hα-helixtrans-63.1-41.8178.4-71-29.7000111E637 F638 S645E637-N641 PolarHBondContact O-N 2.73Å; E637-N641 PolarHBondContact O-ND2 3.48Å; F638-N641 PolarHBondContact O-N 2.84Å; N641-S645 WeakPolarHBondContact O-CB 3.45Å; N641-S645 PolarHBondContact O-N 3.36Å
642L94.6Very high92.3Very high30 Ų3063.9 Ų63.916%0.15733%0.334CS..Hα-helixtrans-61.9-54.5176.2-179.964.4000112.3I601 L604 V608 F638 L639 Y640 S644 S645 E646I601-L642 HydrophobicContact CD1-CD2 4.25Å; L604-L642 HydrophobicContact CB-CD2 3.71Å; L604-L642 HydrophobicContact CD1-CD2 3.93Å; L604-L642 HydrophobicContact CG-CD2 4.4Å; V608-L642 HydrophobicContact CG2-CG 4.5Å; F638-L642 HydrophobicContact CE1-CD2 4.17Å; F638-L642 WeakPolarHBondContact O-CB 3.26Å; F638-L642 PolarHBondContact O-N 2.96Å; L639-L642 PolarHBondContact O-N 2.78Å; Y640-L642 VanDerWaalsContact C-N 3.33Å; Y640-L642 PolarHBondContact O-N 3.39Å; L642-S644 VanDerWaalsContact C-N 3.3Å; L642-S644 PolarHBondContact O-N 3.13Å; L642-S645 PolarHBondContact O-N 3.01Å; L642-E646 HydrophobicContact CD1-CG 4.01Å; L642-E646 WeakPolarHBondContact O-CB 3.43Å; L642-E646 PolarHBondContact O-N 3.4Å
643Y94.2Very high92.2Very high0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-64.5-34.5-179.8-86.9-106.9000112.1V566 I568 Y593 V608 M611 V624 L639 G647 F651V566-Y643 HydrophobicContact CG1-CD1 4.12Å; V566-Y643 HydrophobicContact CG1-CE1 4.45Å; I568-Y643 HydrophobicContact CD1-CD2 4.18Å; I568-Y643 HydrophobicContact CD1-CG 4.26Å; Y593-Y643 PolarHBondContact OH-OH 3.29Å; V608-Y643 HydrophobicContact CG2-CD1 3.86Å; V608-Y643 HydrophobicContact CG2-CD2 3.62Å; V608-Y643 HydrophobicContact CG2-CE1 3.78Å; V608-Y643 HydrophobicContact CG2-CE2 3.56Å; V608-Y643 HydrophobicContact CG2-CG 3.79Å; M611-Y643 HydrophobicContact CB-CE1 4.44Å; V624-Y643 HydrophobicContact CG2-CE1 3.98Å; L639-Y643 WeakPolarHBondContact O-CB 3.44Å; L639-Y643 VanDerWaalsContact O-CD2 3.27Å; L639-Y643 WeakPolarHBondContact O-CD2 3.27Å; L639-Y643 PolarHBondContact O-N 2.88Å; Y643-G647 WeakPolarHBondContact O-CA 3.35Å; Y643-G647 PolarHBondContact O-N 3.06Å; Y643-F651 HydrophobicContact CD1-CE2 4.32Å; Y643-F651 HydrophobicContact CD1-CZ 4.19Å; Y643-F651 VanDerWaalsContact O-CE2 3.28Å; Y643-F651 WeakPolarHBondContact O-CE2 3.47Å
644S92.5Very high92.2Very high41 Ų4154 Ų5429%0.28729%0.287SS..Hα-helixtrans-69-42.9175.9-57.50000112.2Y640 L642 C653Y640-S644 WeakPolarHBondContact CE2-OG 3.27Å; Y640-S644 WeakPolarHBondContact O-CB 3.44Å; Y640-S644 PolarHBondContact O-N 3.38Å; Y640-S644 PolarHBondContact O-OG 3.34Å; L642-S644 VanDerWaalsContact C-N 3.3Å; L642-S644 PolarHBondContact O-N 3.13Å; S644-C653 WeakPolarHBondContact OG-CB 3.41Å
645S92.6Very high92.2Very high79 Ų7954.9 Ų54.955%0.55230%0.296SS*.Hα-helixtrans-71-52.7-178.7-174.10000111.7N641 L642 G647 K648N641-S645 WeakPolarHBondContact O-CB 3.45Å; N641-S645 PolarHBondContact O-N 3.36Å; L642-S645 PolarHBondContact O-N 3.01Å; S645-G647 VanDerWaalsContact C-N 3.31Å; S645-G647 PolarHBondContact O-N 3.13Å; S645-K648 WeakPolarHBondContact O-CG 3.3Å; S645-K648 PolarHBondContact O-N 3.47Å
646E91Very high92.2Very high82 Ų8255.1 Ų55.138%0.38330%0.296SS..Hα-helixtrans-75.4-20.6-177.7-69.6-55.5143.300113.1V608 L642 K648V608-E646 HydrophobicContact CG1-CB 3.71Å; L642-E646 HydrophobicContact CD1-CG 4.01Å; L642-E646 WeakPolarHBondContact O-CB 3.43Å; L642-E646 PolarHBondContact O-N 3.4Å; E646-K648 WeakPolarHBondContact O-CG 3.3Å; E646-K648 PolarHBondContact O-N 3.09Å; E646-K648 WeakPolarHBondContact OE2-CE 3.37Å; E646-K648 IonicContact OE2-NZ 2.79Å; E646-K648 PolarHBondContact OE2-NZ 3.35Å
647G84.6Confident92.3Very high0 Ų058.8 Ų58.80%032%0.318CS..THydrogen-bonded Turntrans-63.5-18.4171.600000114.4Y643 S645 G649 V650Y643-G647 WeakPolarHBondContact O-CA 3.35Å; Y643-G647 PolarHBondContact O-N 3.06Å; S645-G647 VanDerWaalsContact C-N 3.31Å; S645-G647 PolarHBondContact O-N 3.13Å; G647-G649 PolarHBondContact O-N 3.25Å; G647-V650 VanDerWaalsContact O-CB 3.3Å; G647-V650 WeakPolarHBondContact O-CB 3.48Å; G647-V650 WeakPolarHBondContact O-CG2 3.45Å; G647-V650 PolarHBondContact O-N 2.76Å
648K83.6Confident92.3Very high156 Ų15652.9 Ų52.968%0.67829%0.291SS*.THydrogen-bonded Turntrans45.236.8167.7-67.8169.4-173.6148.50115.4S645 E646 V650S645-K648 WeakPolarHBondContact O-CG 3.3Å; S645-K648 PolarHBondContact O-N 3.47Å; E646-K648 WeakPolarHBondContact O-CG 3.3Å; E646-K648 PolarHBondContact O-N 3.09Å; E646-K648 WeakPolarHBondContact OE2-CE 3.37Å; E646-K648 IonicContact OE2-NZ 2.79Å; E646-K648 PolarHBondContact OE2-NZ 3.35Å; K648-V650 VanDerWaalsContact C-N 3.31Å; K648-V650 PolarHBondContact O-N 2.69Å
649G81.8Confident92.2Very high77 Ų7750.5 Ų50.579%0.79429%0.286SS*.THydrogen-bonded Turntrans78.81.5-179.100000115.9G647G647-G649 PolarHBondContact O-N 3.25Å
650V88.2Confident92.1Very high35 Ų3557.1 Ų57.121%0.21232%0.317CS..THydrogen-bonded Turntrans-69-37171.7-178.70000110.8R564 T612 M615 G647 K648R564-V650 WeakPolarHBondContact CB-O 3.25Å; R564-V650 WeakPolarHBondContact CD-O 3.3Å; T612-V650 HydrophobicContact CG2-CB 4.32Å; T612-V650 HydrophobicContact CG2-CG1 4.2Å; T612-V650 HydrophobicContact CG2-CG2 4.07Å; M615-V650 HydrophobicContact CB-CG1 3.89Å; G647-V650 VanDerWaalsContact O-CB 3.3Å; G647-V650 WeakPolarHBondContact O-CB 3.48Å; G647-V650 WeakPolarHBondContact O-CG2 3.45Å; G647-V650 PolarHBondContact O-N 2.76Å; K648-V650 VanDerWaalsContact C-N 3.31Å; K648-V650 PolarHBondContact O-N 2.69Å
651F90.3Very high92Very high11 Ų1159.4 Ų59.45%0.04833%0.333CS..SBendtrans-145.1157.6173.760.5-100.7000111.6R564 V566 V608 M611 M615 Y643R564-F651 HydrophobicContact CB-CB 4.23Å; R564-F651 CarbonylContact O-C 3.58Å; R564-F651 VanDerWaalsContact O-CA 3.23Å; R564-F651 WeakPolarHBondContact O-CA 3.23Å; R564-F651 WeakPolarHBondContact O-CB 3.45Å; V566-F651 HydrophobicContact CB-CD2 3.98Å; V566-F651 HydrophobicContact CB-CE2 4.12Å; V566-F651 HydrophobicContact CG2-CB 4.3Å; V566-F651 HydrophobicContact CG2-CD1 4.18Å; V566-F651 HydrophobicContact CG2-CD2 3.33Å; V566-F651 HydrophobicContact CG2-CE1 4.36Å; V566-F651 HydrophobicContact CG2-CE2 3.56Å; V566-F651 HydrophobicContact CG2-CG 3.68Å; V566-F651 HydrophobicContact CG2-CZ 4.08Å; V608-F651 HydrophobicContact CG1-CZ 4.4Å; M611-F651 HydrophobicContact CB-CE1 4.49Å; M611-F651 HydrophobicContact CG-CD1 4.49Å; M611-F651 HydrophobicContact CG-CE1 4.02Å; M611-F651 HydrophobicContact CG-CZ 4.26Å; M615-F651 HydrophobicContact CB-CD1 4.24Å; M615-F651 HydrophobicContact CE-CB 4.08Å; M615-F651 HydrophobicContact CE-CG 4.47Å; M615-F651 HydrophobicContact CG-CB 4.14Å; M615-F651 HydrophobicContact CG-CD1 3.85Å; M615-F651 HydrophobicContact CG-CG 4.31Å; M615-F651 HydrophobicContact SD-CB 4.37Å; Y643-F651 HydrophobicContact CD1-CE2 4.32Å; Y643-F651 HydrophobicContact CD1-CZ 4.19Å; Y643-F651 VanDerWaalsContact O-CE2 3.28Å; Y643-F651 WeakPolarHBondContact O-CE2 3.47Å
652D90.4Very high92Very high51 Ų5155.5 Ų55.527%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-91.8146168.3179.438.9000110R564 R565 V566 R654R564-D652 PolarHBondContact O-N 2.92Å; R565-D652 CarbonylContact C-O 3.13Å; R565-D652 VanDerWaalsContact CA-O 3.31Å; R565-D652 WeakPolarHBondContact CA-O 3.47Å; R565-D652 IonicContact CZ-OD2 3.94Å; R565-D652 VanDerWaalsContact CZ-OD2 3.24Å; R565-D652 IonicContact NE-OD2 3.2Å; R565-D652 PolarHBondContact NE-OD2 3.14Å; R565-D652 IonicContact NH2-OD2 3.96Å; R565-D652 PolarHBondContact NH2-OD2 3.47Å; V566-D652 PolarHBondContact N-O 2.92Å; D652-R654 IonicContact OD1-CZ 3.28Å; D652-R654 IonicContact OD1-NH1 3.63Å; D652-R654 PolarHBondContact OD1-NH1 3.49Å; D652-R654 IonicContact OD1-NH2 2.69Å; D652-R654 PolarHBondContact OD1-NH2 3.31Å; D652-R654 IonicContact OD2-CZ 3.98Å; D652-R654 IonicContact OD2-NE 3.67Å; D652-R654 IonicContact OD2-NH1 3.61Å; D652-R654 PolarHBondContact OD2-NH1 2.96Å; D652-R654 IonicContact OD2-NH2 3.96Å; D652-R654 PolarHBondContact OD2-NH2 3.33Å
653C92.6Very high91.9Very high1 Ų156.4 Ų56.41%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-111.7146.3178.2-163.30000111.2V566 I568 Y640 S644V566-C653 CarbonylContact O-C 3.51Å; V566-C653 WeakPolarHBondContact O-CA 3.43Å; I568-C653 VanDerWaalsContact CD1-SG 3.59Å; Y640-C653 HydrophobicContact CD2-CB 4.11Å; Y640-C653 HydrophobicContact CE2-CB 4.26Å; Y640-C653 WeakPolarHBondContact CE2-O 3.22Å; S644-C653 WeakPolarHBondContact OG-CB 3.41Å
654R93.7Very high91.8Very high95 Ų9558 Ų5836%0.35833%0.332SS..EExtended strand (participates in β ladder)trans-141.3155.5172.9-71.1-64.1177-89.2-6.8111V566 F567 I568 D652V566-R654 PolarHBondContact O-N 3.1Å; F567-R654 CarbonylContact C-O 3.49Å; F567-R654 WeakPolarHBondContact CA-O 3.05Å; F567-R654 HydrophobicContact CD1-CB 3.7Å; F567-R654 HydrophobicContact CE1-CB 3.53Å; F567-R654 HydrophobicContact CE1-CG 4.29Å; F567-R654 HydrophobicContact CG-CB 4.48Å; F567-R654 HydrophobicContact CZ-CB 4.17Å; I568-R654 PolarHBondContact N-O 3.14Å; D652-R654 IonicContact OD1-CZ 3.28Å; D652-R654 IonicContact OD1-NH1 3.63Å; D652-R654 PolarHBondContact OD1-NH1 3.49Å; D652-R654 IonicContact OD1-NH2 2.69Å; D652-R654 PolarHBondContact OD1-NH2 3.31Å; D652-R654 IonicContact OD2-CZ 3.98Å; D652-R654 IonicContact OD2-NE 3.67Å; D652-R654 IonicContact OD2-NH1 3.61Å; D652-R654 PolarHBondContact OD2-NH1 2.96Å; D652-R654 IonicContact OD2-NH2 3.96Å; D652-R654 PolarHBondContact OD2-NH2 3.33Å
655T95.4Very high91.7Very high61 Ų6158.6 Ų58.637%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-112.8143.7178.850.10000111.6I568 T636 Y640I568-T655 HydrophobicContact CB-CG2 4.42Å; I568-T655 CarbonylContact O-C 3.54Å; I568-T655 VanDerWaalsContact O-CA 3.3Å; I568-T655 WeakPolarHBondContact O-CA 3.29Å; T636-T655 HydrophobicContact CG2-CG2 3.61Å; Y640-T655 HydrophobicContact CD2-CG2 3.97Å; Y640-T655 HydrophobicContact CG-CG2 3.89Å
656N96.3Very high91.7Very high60 Ų6057.4 Ų57.432%0.32134%0.34SS..EExtended strand (participates in β ladder)trans-138.2116.9169.1-80.699.2000109.7I555 F567 I568 V569 E570I555-N656 HydrophobicContact CD1-CB 3.8Å; F567-N656 VanDerWaalsContact CD1-OD1 3.23Å; F567-N656 WeakPolarHBondContact CD1-OD1 3.28Å; F567-N656 VanDerWaalsContact CE1-OD1 3.32Å; F567-N656 WeakPolarHBondContact CE1-OD1 3.26Å; I568-N656 PolarHBondContact O-N 2.91Å; V569-N656 CarbonylContact C-O 3.47Å; V569-N656 VanDerWaalsContact CA-O 3.29Å; V569-N656 WeakPolarHBondContact CA-O 3.46Å; V569-N656 HydrophobicContact CG2-CB 4.33Å; E570-N656 PolarHBondContact N-O 3.34Å
657V96.9Very high92Very high91 Ų9153.6 Ų53.655%0.55232%0.322SS*.EExtended strand (participates in β ladder)trans-89.9113.2168.4-179.20000107.8E570 G659E570-V657 HydrophobicContact CB-CB 4.38Å; E570-V657 HydrophobicContact CB-CG1 4.35Å; E570-V657 HydrophobicContact CB-CG2 4.05Å; E570-V657 WeakPolarHBondContact OE1-CG1 3.42Å; V657-G659 VanDerWaalsContact C-N 3.31Å
658L96.1Very high92.6Very high12 Ų1254.1 Ų54.16%0.06333%0.326CS..  trans-70.4-31.7-178.1-60.6-175.8000112.1A548 I555 V569 E570 T571 L661 Q662A548-L658 HydrophobicContact CB-CD1 3.9Å; I555-L658 HydrophobicContact CD1-CD2 4.25Å; V569-L658 HydrophobicContact CG1-CD1 3.75Å; V569-L658 HydrophobicContact CG1-CD2 3.76Å; V569-L658 HydrophobicContact CG1-CG 3.53Å; E570-L658 PolarHBondContact O-N 2.9Å; E570-L658 VanDerWaalsContact O-N 3.14Å; T571-L658 HydrophobicContact CG2-CD1 4.31Å; L658-L661 WeakPolarHBondContact O-CB 3.23Å; L658-L661 PolarHBondContact O-N 2.76Å; L658-Q662 HydrophobicContact CB-CG 3.77Å; L658-Q662 HydrophobicContact CD1-CG 4.14Å
659G95.2Very high93.2Very high20 Ų2046.9 Ų46.921%0.20630%0.295CS..G310 helixtrans51.7-139.7178.100000112.9M572 V657 L661 Q662M572-G659 VanDerWaalsContact SD-O 3.36Å; V657-G659 VanDerWaalsContact C-N 3.31Å; G659-L661 PolarHBondContact O-N 2.98Å; G659-L661 VanDerWaalsContact O-N 3.11Å; G659-Q662 WeakPolarHBondContact O-CB 3.15Å; G659-Q662 WeakPolarHBondContact O-CG 3.08Å; G659-Q662 PolarHBondContact O-N 3.4Å; G659-Q662 PolarHBondContact O-NE2 3.28Å
660H94.3Very high93.9Very high139 Ų13945.7 Ų45.764%0.64427%0.267SS*.G310 helixtrans-67.3-10.4-172.3-70.284.8000115.2Q662 Q663H660-Q662 PolarHBondContact O-N 2.8Å; H660-Q662 VanDerWaalsContact O-N 3.14Å; H660-Q663 WeakPolarHBondContact O-CB 3.35Å; H660-Q663 PolarHBondContact O-N 2.85Å
661L93.5Very high94.3Very high123 Ų12344 Ų4464%0.64426%0.257SS*.G310 helixtrans-57.5-26.8171.3-62.6175.2000111.9L658 G659 Q663 G664L658-L661 WeakPolarHBondContact O-CB 3.23Å; L658-L661 PolarHBondContact O-N 2.76Å; G659-L661 PolarHBondContact O-N 2.98Å; G659-L661 VanDerWaalsContact O-N 3.11Å; L661-Q663 PolarHBondContact O-N 3.14Å; L661-G664 PolarHBondContact O-N 3.27Å
662Q95.1Very high94.6Very high1 Ų143.8 Ų43.81%0.00526%0.256CS..G310 helixtrans-69.3-8.2176.3-63.1168.89900114.1I528 A544 A548 M572 L579 L658 G659 H660I528-Q662 HydrophobicContact CD1-CB 4.46Å; A544-Q662 WeakPolarHBondContact CA-O 3.32Å; A544-Q662 WeakPolarHBondContact CB-O 3.4Å; A548-Q662 HydrophobicContact CB-CG 4.28Å; M572-Q662 VanDerWaalsContact CG-NE2 3.31Å; L579-Q662 HydrophobicContact CD2-CB 4.35Å; L658-Q662 HydrophobicContact CB-CG 3.77Å; L658-Q662 HydrophobicContact CD1-CG 4.14Å; G659-Q662 WeakPolarHBondContact O-CB 3.15Å; G659-Q662 WeakPolarHBondContact O-CG 3.08Å; G659-Q662 PolarHBondContact O-N 3.4Å; G659-Q662 PolarHBondContact O-NE2 3.28Å; H660-Q662 PolarHBondContact O-N 2.8Å; H660-Q662 VanDerWaalsContact O-N 3.14Å
663Q92.8Very high94.9Very high49 Ų4942 Ų4223%0.22925%0.246CC..G310 helixtrans-75.6-13.6168-66.7-177-1.500112.5I528 H660 L661I528-Q663 HydrophobicContact CD1-CG 4.37Å; I528-Q663 HydrophobicContact CG2-CG 4.41Å; H660-Q663 WeakPolarHBondContact O-CB 3.35Å; H660-Q663 PolarHBondContact O-N 2.85Å; L661-Q663 PolarHBondContact O-N 3.14Å
664G91.3Very high95Very high34 Ų3442.3 Ų42.335%0.35125%0.248SC..  trans70-173.5-17500000113.4L661L661-G664 PolarHBondContact O-N 3.27Å
665G90.9Very high95.1Very high54 Ų5437.8 Ų37.856%0.55723%0.231SC*.SBendtrans-112.5-97.6175.500000110.4G462G462-G665 VanDerWaalsContact CA-O 3.27Å; G462-G665 WeakPolarHBondContact CA-O 3.44Å
666A92.4Very high95.1Very high53 Ų5335 Ų3544%0.43821%0.213SC..SBendtrans-71.7140.6168.500000110.2
667P96.1Very high95.1Very high2 Ų232.7 Ų32.71%0.01320%0.201CC..PPolyproline II helixtrans-62.4148.617523.7-31.9000111.7A412 G460 D671 R672A412-P667 HydrophobicContact CB-CB 3.92Å; G460-P667 WeakPolarHBondContact O-CD 3.31Å; P667-D671 HydrophobicContact CB-CB 4.25Å; P667-R672 HydrophobicContact CB-CG 3.83Å; P667-R672 HydrophobicContact CG-CG 3.59Å; P667-R672 VanDerWaalsContact O-CZ 3.31Å; P667-R672 PolarHBondContact O-NE 3.4Å; P667-R672 PolarHBondContact O-NH2 2.68Å
668T97.5Very high95Very high12 Ų1228.4 Ų28.47%0.07417%0.174CC..PPolyproline II helixtrans-67.1162.8173.258.70000111.9H183 D542 T543 N546 F670 D671 R672H183-T668 VanDerWaalsContact CE1-CG2 3.48Å; H183-T668 WeakPolarHBondContact CE1-CG2 3.47Å; D542-T668 WeakPolarHBondContact OD2-CB 3.49Å; D542-T668 WeakPolarHBondContact OD2-CG2 3.25Å; D542-T668 PolarHBondContact OD2-OG1 2.87Å; T543-T668 HydrophobicContact CG2-CG2 4.36Å; T543-T668 PolarHBondContact OG1-N 3.47Å; T543-T668 VanDerWaalsContact OG1-N 3.1Å; T543-T668 PolarHBondContact OG1-OG1 2.95Å; N546-T668 HydrophobicContact CB-CG2 4.38Å; T668-F670 PolarHBondContact O-N 3.36Å; T668-D671 PolarHBondContact O-N 2.95Å; T668-D671 PolarHBondContact OG1-N 3.2Å; T668-R672 WeakPolarHBondContact O-CB 3.27Å; T668-R672 VanDerWaalsContact O-CG 3.28Å; T668-R672 WeakPolarHBondContact O-CG 3.42Å; T668-R672 PolarHBondContact O-N 2.88Å
669P96.8Very high95.1Very high4 Ų427.8 Ų27.83%0.02617%0.171CC..Hα-helixtrans-56.1-38.1174.6-17.528.9000111.9L182 H183 M186 N673L182-P669 VanDerWaalsContact C-CG 3.48Å; L182-P669 HydrophobicContact CB-CB 3.81Å; L182-P669 HydrophobicContact CB-CG 3.89Å; L182-P669 WeakPolarHBondContact O-CG 3.17Å; H183-P669 HydrophobicContact CB-CG 4.47Å; H183-P669 WeakPolarHBondContact CD2-CD 3.35Å; H183-P669 WeakPolarHBondContact NE2-CD 3.21Å; M186-P669 HydrophobicContact CB-CG 4.18Å; M186-P669 HydrophobicContact CG-CB 3.98Å; M186-P669 HydrophobicContact CG-CG 3.77Å; P669-N673 VanDerWaalsContact O-CB 3.28Å; P669-N673 WeakPolarHBondContact O-CB 3.24Å; P669-N673 PolarHBondContact O-N 3.24Å
670F95.6Very high95.1Very high51 Ų5127 Ų2722%0.22416%0.162CC..Hα-helixtrans-59-57.5174-176.8-89.9000111.6F537 D542 T668 R672 N673 Y674F537-F670 HydrophobicContact CD2-CZ 4.5Å; D542-F670 HydrophobicContact CB-CB 4.37Å; D542-F670 HydrophobicContact CB-CD1 3.68Å; D542-F670 HydrophobicContact CB-CE1 4.37Å; D542-F670 HydrophobicContact CB-CG 4.27Å; T668-F670 PolarHBondContact O-N 3.36Å; F670-R672 VanDerWaalsContact C-N 3.3Å; F670-R672 PolarHBondContact O-N 2.88Å; F670-N673 PolarHBondContact O-N 3.47Å; F670-Y674 AromaticContact CE1-CD1 3.94Å; F670-Y674 HydrophobicContact CE1-CD1 3.94Å; F670-Y674 HydrophobicContact CE1-CG 4.15Å; F670-Y674 HydrophobicContact CZ-CD1 4.35Å; F670-Y674 HydrophobicContact CZ-CG 4.27Å; F670-Y674 WeakPolarHBondContact O-CB 3.38Å; F670-Y674 PolarHBondContact O-N 3.08Å
671D97.4Very high95.2Very high0 Ų022.6 Ų22.60%014%0.141CC..Hα-helixtrans-64.6-32.1-177.7-83.8-44000113.1G540 T543 P667 T668 G675G540-D671 WeakPolarHBondContact CA-OD2 3.36Å; G540-D671 PolarHBondContact N-OD1 3.43Å; G540-D671 PolarHBondContact N-OD2 2.83Å; T543-D671 VanDerWaalsContact CB-OD2 3.26Å; T543-D671 WeakPolarHBondContact CB-OD2 3.5Å; T543-D671 PolarHBondContact N-OD2 3.49Å; T543-D671 PolarHBondContact OG1-OD2 3.05Å; P667-D671 HydrophobicContact CB-CB 4.25Å; T668-D671 PolarHBondContact O-N 2.95Å; T668-D671 PolarHBondContact OG1-N 3.2Å; D671-G675 PolarHBondContact O-N 2.94Å
672R96.7Very high95.4Very high7 Ų716.8 Ų16.83%0.02611%0.111CC..Hα-helixtrans-64.5-49.5172.1-71.9-176.2-150.9-153.93.3112.1D190 A222 L459 P667 T668 F670 T676D190-R672 IonicContact OD1-CZ 3.55Å; D190-R672 IonicContact OD1-NH1 3.92Å; D190-R672 PolarHBondContact OD1-NH1 2.98Å; D190-R672 IonicContact OD1-NH2 2.78Å; D190-R672 IonicContact OD2-CZ 3.47Å; D190-R672 IonicContact OD2-NH1 2.63Å; D190-R672 PolarHBondContact OD2-NH1 3.16Å; D190-R672 VanDerWaalsContact OD2-NH1 3.14Å; D190-R672 IonicContact OD2-NH2 3.99Å; D190-R672 PolarHBondContact OD2-NH2 3.29Å; A222-R672 HydrophobicContact CB-CB 3.97Å; A222-R672 WeakPolarHBondContact O-CD 3.38Å; L459-R672 HydrophobicContact CD2-CB 3.71Å; L459-R672 HydrophobicContact CD2-CG 3.74Å; P667-R672 HydrophobicContact CB-CG 3.83Å; P667-R672 HydrophobicContact CG-CG 3.59Å; P667-R672 VanDerWaalsContact O-CZ 3.31Å; P667-R672 PolarHBondContact O-NE 3.4Å; P667-R672 PolarHBondContact O-NH2 2.68Å; T668-R672 WeakPolarHBondContact O-CB 3.27Å; T668-R672 VanDerWaalsContact O-CG 3.28Å; T668-R672 WeakPolarHBondContact O-CG 3.42Å; T668-R672 PolarHBondContact O-N 2.88Å; F670-R672 VanDerWaalsContact C-N 3.3Å; F670-R672 PolarHBondContact O-N 2.88Å; R672-T676 VanDerWaalsContact O-CB 3.3Å; R672-T676 WeakPolarHBondContact O-CB 3.46Å; R672-T676 PolarHBondContact O-N 3.36Å; R672-T676 PolarHBondContact O-OG1 3Å
673N95.4Very high95.4Very high12 Ų1216.7 Ų16.76%0.06411%0.11CC..Hα-helixtrans-70-52.8-178.5-172.513.4000110.6V218 P669 F670 G675 T676 K677V218-N673 HydrophobicContact CG1-CB 4.39Å; P669-N673 VanDerWaalsContact O-CB 3.28Å; P669-N673 WeakPolarHBondContact O-CB 3.24Å; P669-N673 PolarHBondContact O-N 3.24Å; F670-N673 PolarHBondContact O-N 3.47Å; N673-G675 VanDerWaalsContact C-N 3.33Å; N673-G675 PolarHBondContact O-N 3.35Å; N673-T676 CarbonylContact O-C 3.59Å; N673-T676 WeakPolarHBondContact O-CA 3.36Å; N673-T676 WeakPolarHBondContact O-CB 3.43Å; N673-T676 PolarHBondContact O-N 3.4Å; N673-K677 WeakPolarHBondContact O-CG 3.5Å; N673-K677 PolarHBondContact O-N 3.45Å; N673-K677 VanDerWaalsContact OD1-CE 3.32Å; N673-K677 WeakPolarHBondContact OD1-CE 3.18Å
674Y95.2Very high95.6Very high9 Ų917.1 Ų17.14%0.03511%0.114CC..Hα-helixtrans-57.5-44.1179.1-172.2-129.6000111.6T535 F537 L539 F670 T676 K677 L678 L712 F780T535-Y674 PolarHBondContact OG1-OH 3.43Å; F537-Y674 HydrophobicContact CB-CE1 4Å; F537-Y674 WeakPolarHBondContact O-CE1 3.27Å; F537-Y674 PolarHBondContact O-OH 3.5Å; F537-Y674 VanDerWaalsContact O-OH 3.09Å; L539-Y674 HydrophobicContact CD2-CD1 3.53Å; L539-Y674 HydrophobicContact CD2-CE1 4.25Å; L539-Y674 HydrophobicContact CD2-CG 4.17Å; L539-Y674 HydrophobicContact CG-CD1 4.45Å; F670-Y674 AromaticContact CE1-CD1 3.94Å; F670-Y674 HydrophobicContact CE1-CD1 3.94Å; F670-Y674 HydrophobicContact CE1-CG 4.15Å; F670-Y674 HydrophobicContact CZ-CD1 4.35Å; F670-Y674 HydrophobicContact CZ-CG 4.27Å; F670-Y674 WeakPolarHBondContact O-CB 3.38Å; F670-Y674 PolarHBondContact O-N 3.08Å; Y674-T676 PolarHBondContact O-N 2.78Å; Y674-K677 PolarHBondContact O-N 3.33Å; Y674-L678 HydrophobicContact CD1-CD1 4.18Å; Y674-L678 HydrophobicContact CD2-CD1 4.47Å; Y674-L678 HydrophobicContact CD2-CG 4.26Å; Y674-L678 HydrophobicContact CE1-CD1 3.75Å; Y674-L678 HydrophobicContact CE2-CD1 4.07Å; Y674-L678 HydrophobicContact CE2-CD2 4.05Å; Y674-L678 HydrophobicContact CE2-CG 4.03Å; Y674-L678 HydrophobicContact CG-CD1 4.5Å; Y674-L678 WeakPolarHBondContact O-CG 3.43Å; Y674-L678 PolarHBondContact O-N 2.88Å; Y674-L712 HydrophobicContact CE2-CB 4.25Å; Y674-L712 WeakPolarHBondContact OH-CB 3.32Å; Y674-L712 PolarHBondContact OH-N 2.91Å; Y674-F780 HydrophobicContact CD2-CE2 4.37Å; Y674-F780 AromaticContact CD2-CZ 3.75Å; Y674-F780 HydrophobicContact CD2-CZ 3.75Å; Y674-F780 HydrophobicContact CE2-CE2 4.33Å; Y674-F780 AromaticContact CE2-CZ 3.74Å; Y674-F780 HydrophobicContact CE2-CZ 3.74Å
675G96.4Very high95.8Very high0 Ų016.8 Ų16.80%010%0.102CC..Hα-helixtrans-60.3-45.7173.500000112.4A417 D671 N673 K677 L678 G679A417-G675 WeakPolarHBondContact CA-O 3.11Å; A417-G675 WeakPolarHBondContact CB-O 3.41Å; D671-G675 PolarHBondContact O-N 2.94Å; N673-G675 VanDerWaalsContact C-N 3.33Å; N673-G675 PolarHBondContact O-N 3.35Å; G675-K677 VanDerWaalsContact C-N 3.35Å; G675-K677 PolarHBondContact O-N 3.3Å; G675-L678 PolarHBondContact O-N 3.02Å; G675-G679 PolarHBondContact O-N 3.08Å
676T95.9Very high96.1Very high1 Ų114.2 Ų14.21%0.0068%0.076CC..Hα-helixtrans-57.6-45.3174.4-62.80000111.9I384 L388 S420 R672 N673 Y674 V680I384-T676 HydrophobicContact CG2-CG2 4.37Å; L388-T676 HydrophobicContact CD1-CG2 3.36Å; S420-T676 VanDerWaalsContact CB-O 3.3Å; S420-T676 WeakPolarHBondContact CB-O 3.15Å; S420-T676 WeakPolarHBondContact OG-CA 3.16Å; S420-T676 PolarHBondContact OG-O 2.97Å; S420-T676 VanDerWaalsContact OG-O 3.07Å; R672-T676 VanDerWaalsContact O-CB 3.3Å; R672-T676 WeakPolarHBondContact O-CB 3.46Å; R672-T676 PolarHBondContact O-N 3.36Å; R672-T676 PolarHBondContact O-OG1 3Å; N673-T676 CarbonylContact O-C 3.59Å; N673-T676 WeakPolarHBondContact O-CA 3.36Å; N673-T676 WeakPolarHBondContact O-CB 3.43Å; N673-T676 PolarHBondContact O-N 3.4Å; Y674-T676 PolarHBondContact O-N 2.78Å; T676-V680 WeakPolarHBondContact O-CG2 3.36Å; T676-V680 PolarHBondContact O-N 3.12Å
677K94.8Very high96.3Very high13 Ų1311.7 Ų11.76%0.0576%0.055CC..Hα-helixtrans-66.1-46.9179.1-61.4179.5178.1-163.40112.6N381 I384 N673 Y674 G675 G679 V680 K681 F780N381-K677 WeakPolarHBondContact OD1-CE 3.46Å; N381-K677 PolarHBondContact OD1-NZ 2.9Å; I384-K677 HydrophobicContact CD1-CB 4.06Å; I384-K677 HydrophobicContact CD1-CG 3.81Å; N673-K677 WeakPolarHBondContact O-CG 3.5Å; N673-K677 PolarHBondContact O-N 3.45Å; N673-K677 VanDerWaalsContact OD1-CE 3.32Å; N673-K677 WeakPolarHBondContact OD1-CE 3.18Å; Y674-K677 PolarHBondContact O-N 3.33Å; G675-K677 VanDerWaalsContact C-N 3.35Å; G675-K677 PolarHBondContact O-N 3.3Å; K677-G679 PolarHBondContact O-N 3.13Å; K677-V680 PolarHBondContact O-N 3.5Å; K677-K681 WeakPolarHBondContact O-CG 3.45Å; K677-K681 PolarHBondContact O-N 3.37Å; K677-F780 HydrophobicContact CB-CD1 3.81Å; K677-F780 HydrophobicContact CB-CE1 3.27Å; K677-F780 HydrophobicContact CB-CZ 3.93Å; K677-F780 HydrophobicContact CD-CD1 3.77Å; K677-F780 HydrophobicContact CD-CD2 4.12Å; K677-F780 HydrophobicContact CD-CE1 3.57Å; K677-F780 HydrophobicContact CD-CE2 3.91Å; K677-F780 HydrophobicContact CD-CG 4.04Å; K677-F780 HydrophobicContact CD-CZ 3.64Å; K677-F780 HydrophobicContact CG-CD1 4.3Å; K677-F780 HydrophobicContact CG-CE1 4.04Å; K677-F780 HydrophobicContact CG-CZ 4.46Å
678L96.6Very high96.2Very high0 Ų016.9 Ų16.90%08%0.079CC..Hα-helixtrans-62.6-41.9-179.8-69.7-176.1000111.3I524 L539 Y674 G675 V680 K681 A682 I710 F780I524-L678 HydrophobicContact CD1-CB 4.33Å; I524-L678 HydrophobicContact CG1-CB 4.5Å; I524-L678 HydrophobicContact CG2-CB 4.17Å; I524-L678 HydrophobicContact CG2-CD1 3.92Å; L539-L678 HydrophobicContact CD2-CD1 4.4Å; L539-L678 HydrophobicContact CG-CD1 4.35Å; Y674-L678 HydrophobicContact CD1-CD1 4.18Å; Y674-L678 HydrophobicContact CD2-CD1 4.47Å; Y674-L678 HydrophobicContact CD2-CG 4.26Å; Y674-L678 HydrophobicContact CE1-CD1 3.75Å; Y674-L678 HydrophobicContact CE2-CD1 4.07Å; Y674-L678 HydrophobicContact CE2-CD2 4.05Å; Y674-L678 HydrophobicContact CE2-CG 4.03Å; Y674-L678 HydrophobicContact CG-CD1 4.5Å; Y674-L678 WeakPolarHBondContact O-CG 3.43Å; Y674-L678 PolarHBondContact O-N 2.88Å; G675-L678 PolarHBondContact O-N 3.02Å; L678-V680 PolarHBondContact O-N 2.87Å; L678-K681 PolarHBondContact O-N 3.42Å; L678-A682 WeakPolarHBondContact O-CB 3.47Å; L678-A682 PolarHBondContact O-N 2.84Å; L678-I710 HydrophobicContact CD2-CD1 3.97Å; L678-I710 HydrophobicContact CD2-CG1 4.09Å; L678-I710 HydrophobicContact CD2-CG2 4.46Å; L678-F780 HydrophobicContact CD2-CE1 4.42Å; L678-F780 HydrophobicContact CD2-CZ 4.5Å
679G96.9Very high96.1Very high0 Ų017.6 Ų17.60%08%0.081CC..Hα-helixtrans-63.2-39.5176.600000113.4S420 A421 G675 K677 M683S420-G679 WeakPolarHBondContact OG-CA 3.49Å; A421-G679 WeakPolarHBondContact CA-O 3.4Å; G675-G679 PolarHBondContact O-N 3.08Å; K677-G679 PolarHBondContact O-N 3.13Å; G679-M683 VanDerWaalsContact O-CB 3.27Å; G679-M683 WeakPolarHBondContact O-CB 3.27Å; G679-M683 PolarHBondContact O-N 3.09Å; G679-M683 VanDerWaalsContact O-N 3.15Å
680V95.8Very high96.1Very high2 Ų217.4 Ų17.41%0.0128%0.08CC..Hα-helixtrans-63.6-55.3171.8173.70000111.4I384 L387 L388 T424 T676 K677 L678 A682 M683 L684I384-V680 HydrophobicContact CG1-CG1 4.39Å; I384-V680 HydrophobicContact CG2-CG2 4.13Å; L387-V680 HydrophobicContact CD2-CG1 3.59Å; L388-V680 HydrophobicContact CD1-CG2 3.81Å; L388-V680 HydrophobicContact CD2-CG2 4.01Å; L388-V680 HydrophobicContact CG-CG2 4.06Å; T424-V680 HydrophobicContact CG2-CG1 4.48Å; T676-V680 WeakPolarHBondContact O-CG2 3.36Å; T676-V680 PolarHBondContact O-N 3.12Å; K677-V680 PolarHBondContact O-N 3.5Å; L678-V680 PolarHBondContact O-N 2.87Å; V680-A682 PolarHBondContact O-N 3.44Å; V680-M683 PolarHBondContact O-N 2.86Å; V680-L684 HydrophobicContact CG1-CD1 3.8Å; V680-L684 HydrophobicContact CG1-CG 4.27Å; V680-L684 WeakPolarHBondContact O-CG 3.5Å; V680-L684 PolarHBondContact O-N 2.98Å
681K95.6Very high96Very high48 Ų4821.6 Ų21.621%0.2099%0.094CC..Hα-helixtrans-64.5-40.4-174.1-70.5-83.8175.61600111.5N380 K677 L678 L684 W685 I710 F780N380-K681 PolarHBondContact OD1-NZ 2.86Å; K677-K681 WeakPolarHBondContact O-CG 3.45Å; K677-K681 PolarHBondContact O-N 3.37Å; L678-K681 PolarHBondContact O-N 3.42Å; K681-L684 PolarHBondContact O-N 2.88Å; K681-W685 VanDerWaalsContact O-CB 3.32Å; K681-W685 WeakPolarHBondContact O-CB 3.18Å; K681-W685 PolarHBondContact O-N 2.87Å; K681-I710 HydrophobicContact CB-CD1 3.88Å; K681-F780 WeakPolarHBondContact CD-OXT 3.23Å; K681-F780 WeakPolarHBondContact CE-OXT 3.29Å; K681-F780 HydrophobicContact CG-CD1 4.3Å; K681-F780 PolarHBondContact NZ-O 2.72Å; K681-F780 PolarHBondContact NZ-OXT 3.04Å
682A97.6Very high95.8Very high0 Ų026 Ų260%012%0.115CC..Hα-helixtrans-61.1-45173.900000112L493 I524 L678 V680 W685 L686 I710L493-A682 HydrophobicContact CD1-CB 3.82Å; I524-A682 HydrophobicContact CD1-CB 3.97Å; I524-A682 HydrophobicContact CG1-CB 4.18Å; L678-A682 WeakPolarHBondContact O-CB 3.47Å; L678-A682 PolarHBondContact O-N 2.84Å; V680-A682 PolarHBondContact O-N 3.44Å; A682-W685 PolarHBondContact O-N 3.08Å; A682-L686 WeakPolarHBondContact O-CB 3.48Å; A682-L686 VanDerWaalsContact O-CG 3.26Å; A682-L686 WeakPolarHBondContact O-CG 3.41Å; A682-L686 PolarHBondContact O-N 3.19Å; A682-I710 HydrophobicContact CB-CD1 4.15Å; A682-I710 HydrophobicContact CB-CG2 4.33Å
683M96.7Very high95.6Very high0 Ų026.9 Ų26.90%012%0.121CC..Hα-helixtrans-67.4-41179.4-175.756.562.400112.4L402 I404 A421 T424 L493 G679 V680 L686 S687L402-M683 HydrophobicContact CD2-CE 4.22Å; L402-M683 HydrophobicContact CD2-SD 3.78Å; I404-M683 HydrophobicContact CD1-CE 4.11Å; A421-M683 HydrophobicContact CB-CB 4.44Å; A421-M683 HydrophobicContact CB-CE 4.06Å; A421-M683 WeakPolarHBondContact O-CE 3.3Å; T424-M683 HydrophobicContact CG2-CB 3.88Å; T424-M683 HydrophobicContact CG2-CG 3.73Å; L493-M683 HydrophobicContact CD2-CE 4.42Å; G679-M683 VanDerWaalsContact O-CB 3.27Å; G679-M683 WeakPolarHBondContact O-CB 3.27Å; G679-M683 PolarHBondContact O-N 3.09Å; G679-M683 VanDerWaalsContact O-N 3.15Å; V680-M683 PolarHBondContact O-N 2.86Å; M683-L686 PolarHBondContact O-N 3.04Å; M683-S687 WeakPolarHBondContact O-CB 3.44Å; M683-S687 PolarHBondContact O-N 2.98Å; M683-S687 PolarHBondContact O-OG 3.44Å
684L95.4Very high95.5Very high58 Ų5830.2 Ų30.230%0.30413%0.133SC..Hα-helixtrans-62.4-43.6174.6-68.7176.3000111.8T424 Q428 V680 K681 S687 E688T424-L684 HydrophobicContact CG2-CD2 3.82Å; T424-L684 HydrophobicContact CG2-CG 3.96Å; Q428-L684 HydrophobicContact CG-CD2 4.37Å; V680-L684 HydrophobicContact CG1-CD1 3.8Å; V680-L684 HydrophobicContact CG1-CG 4.27Å; V680-L684 WeakPolarHBondContact O-CG 3.5Å; V680-L684 PolarHBondContact O-N 2.98Å; K681-L684 PolarHBondContact O-N 2.88Å; L684-S687 VanDerWaalsContact O-CB 3.32Å; L684-S687 WeakPolarHBondContact O-CB 3.37Å; L684-S687 PolarHBondContact O-N 2.83Å; L684-E688 PolarHBondContact O-N 3.42Å
685W96.8Very high95.1Very high26 Ų2638.9 Ų38.910%0.09817%0.166CC..Hα-helixtrans-63.6-42.6175.8177.886.1000112.6V520 M521 C522 K681 A682 S687 E688 K689 D705 C708 F719V520-W685 HydrophobicContact CG1-CH2 4.1Å; V520-W685 HydrophobicContact CG1-CZ3 3.85Å; M521-W685 WeakPolarHBondContact O-CZ3 3.16Å; C522-W685 HydrophobicContact CB-CE3 4.18Å; C522-W685 HydrophobicContact CB-CZ3 3.89Å; K681-W685 VanDerWaalsContact O-CB 3.32Å; K681-W685 WeakPolarHBondContact O-CB 3.18Å; K681-W685 PolarHBondContact O-N 2.87Å; A682-W685 PolarHBondContact O-N 3.08Å; W685-S687 VanDerWaalsContact C-N 3.3Å; W685-S687 PolarHBondContact O-N 3.25Å; W685-E688 PolarHBondContact O-N 3.29Å; W685-K689 HydrophobicContact CD2-CG 4.1Å; W685-K689 HydrophobicContact CH2-CG 4.39Å; W685-K689 HydrophobicContact CZ2-CD 4.4Å; W685-K689 HydrophobicContact CZ2-CG 3.89Å; W685-K689 WeakPolarHBondContact O-CB 3.16Å; W685-K689 PolarHBondContact O-N 3.18Å; W685-D705 VanDerWaalsContact CZ2-O 3.23Å; W685-D705 WeakPolarHBondContact CZ2-O 3.26Å; W685-C708 HydrophobicContact CH2-CB 3.8Å; W685-C708 HydrophobicContact CZ2-CB 3.95Å; W685-F719 HydrophobicContact CB-CD1 4.43Å; W685-F719 HydrophobicContact CB-CE1 3.6Å; W685-F719 HydrophobicContact CB-CE2 3.96Å; W685-F719 HydrophobicContact CB-CZ 3.32Å; W685-F719 AromaticContact CD1-CD1 3.96Å; W685-F719 AromaticContact CD1-CD2 3.75Å; W685-F719 AromaticContact CD1-CE1 3.94Å; W685-F719 AromaticContact CD1-CE2 3.74Å; W685-F719 AromaticContact CD1-CG 3.86Å; W685-F719 AromaticContact CD1-CZ 3.84Å; W685-F719 AromaticContact CD2-CD1 3.51Å; W685-F719 HydrophobicContact CD2-CD1 3.51Å; W685-F719 AromaticContact CD2-CE1 3.48Å; W685-F719 HydrophobicContact CD2-CE1 3.48Å; W685-F719 VanDerWaalsContact CD2-CE1 3.48Å; W685-F719 HydrophobicContact CD2-CG 4.13Å; W685-F719 HydrophobicContact CD2-CZ 4.08Å; W685-F719 AromaticContact CE2-CD1 3.63Å; W685-F719 AromaticContact CE2-CG 3.88Å; W685-F719 AromaticContact CE3-CD1 3.96Å; W685-F719 HydrophobicContact CE3-CD1 3.96Å; W685-F719 AromaticContact CE3-CE1 3.83Å; W685-F719 HydrophobicContact CE3-CE1 3.83Å; W685-F719 AromaticContact CG-CD1 3.74Å; W685-F719 HydrophobicContact CG-CD1 3.74Å; W685-F719 HydrophobicContact CG-CD2 4.16Å; W685-F719 AromaticContact CG-CE1 3.38Å; W685-F719 HydrophobicContact CG-CE1 3.38Å; W685-F719 AromaticContact CG-CE2 3.85Å; W685-F719 HydrophobicContact CG-CE2 3.85Å; W685-F719 HydrophobicContact CG-CG 4.11Å; W685-F719 AromaticContact CG-CZ 3.45Å; W685-F719 HydrophobicContact CG-CZ 3.45Å; W685-F719 VanDerWaalsContact CG-CZ 3.45Å; W685-F719 HydrophobicContact CZ2-CB 4.43Å; W685-F719 HydrophobicContact CZ2-CD1 4.16Å; W685-F719 HydrophobicContact CZ2-CG 4.47Å; W685-F719 HydrophobicContact CZ3-CD1 4.46Å; W685-F719 AromaticContact NE1-CD1 3.88Å; W685-F719 AromaticContact NE1-CD2 3.97Å; W685-F719 AromaticContact NE1-CG 3.69Å
686L97.3Very high94.5Very high0 Ų049.5 Ų49.50%021%0.212CC..Hα-helixtrans-59.1-43.3172.2-73174.4000111L402 A491 L493 V520 C522 A682 M683 E688 L690L402-L686 HydrophobicContact CD2-CB 3.94Å; L402-L686 HydrophobicContact CD2-CD1 4.01Å; A491-L686 HydrophobicContact CB-CD2 4.19Å; L493-L686 HydrophobicContact CB-CD1 4.04Å; L493-L686 HydrophobicContact CD1-CD1 4.24Å; V520-L686 HydrophobicContact CB-CD2 4.07Å; V520-L686 HydrophobicContact CG1-CD2 3.58Å; C522-L686 HydrophobicContact CB-CD1 4.2Å; C522-L686 HydrophobicContact CB-CD2 3.9Å; C522-L686 HydrophobicContact CB-CG 4.11Å; A682-L686 WeakPolarHBondContact O-CB 3.48Å; A682-L686 VanDerWaalsContact O-CG 3.26Å; A682-L686 WeakPolarHBondContact O-CG 3.41Å; A682-L686 PolarHBondContact O-N 3.19Å; M683-L686 PolarHBondContact O-N 3.04Å; L686-E688 VanDerWaalsContact C-N 3.35Å; L686-E688 PolarHBondContact O-N 3.3Å; L686-L690 WeakPolarHBondContact O-CB 3.43Å; L686-L690 WeakPolarHBondContact O-CD1 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.2Å; L686-L690 PolarHBondContact O-N 3.22Å
687S95.2Very high93.8Very high1 Ų151.9 Ų51.91%0.00724%0.237CC..Hα-helixtrans-61.9-40.4177.9-49.90000112.5H430 M683 L684 W685 R691H430-S687 WeakPolarHBondContact NE2-CB 3.49Å; H430-S687 PolarHBondContact NE2-OG 2.56Å; M683-S687 WeakPolarHBondContact O-CB 3.44Å; M683-S687 PolarHBondContact O-N 2.98Å; M683-S687 PolarHBondContact O-OG 3.44Å; L684-S687 VanDerWaalsContact O-CB 3.32Å; L684-S687 WeakPolarHBondContact O-CB 3.37Å; L684-S687 PolarHBondContact O-N 2.83Å; W685-S687 VanDerWaalsContact C-N 3.3Å; W685-S687 PolarHBondContact O-N 3.25Å; S687-R691 WeakPolarHBondContact O-CG 3.47Å; S687-R691 PolarHBondContact O-N 3.11Å
688E95.1Very high93.4Very high110 Ų11056.5 Ų56.551%0.51425%0.254SS..Hα-helixtrans-69.9-54.1178-177.7169.1-146.800111.1L684 W685 L686 L690 R691 E692L684-E688 PolarHBondContact O-N 3.42Å; W685-E688 PolarHBondContact O-N 3.29Å; L686-E688 VanDerWaalsContact C-N 3.35Å; L686-E688 PolarHBondContact O-N 3.3Å; E688-L690 VanDerWaalsContact C-N 3.29Å; E688-L690 PolarHBondContact O-N 3.02Å; E688-R691 WeakPolarHBondContact O-CB 3.46Å; E688-R691 PolarHBondContact O-N 2.81Å; E688-E692 PolarHBondContact O-N 3.32Å; E688-E692 VanDerWaalsContact O-N 3.14Å
689K95.8Very high93.2Very high27 Ų2757 Ų5712%0.11726%0.257CS..Hα-helixtrans-57.8-40.4177.9-75.8-74.7159.8-165.60112.3V520 W685 R691 E692 V693 D705V520-K689 HydrophobicContact CG1-CB 3.78Å; V520-K689 HydrophobicContact CG2-CB 4.26Å; W685-K689 HydrophobicContact CD2-CG 4.1Å; W685-K689 HydrophobicContact CH2-CG 4.39Å; W685-K689 HydrophobicContact CZ2-CD 4.4Å; W685-K689 HydrophobicContact CZ2-CG 3.89Å; W685-K689 WeakPolarHBondContact O-CB 3.16Å; W685-K689 PolarHBondContact O-N 3.18Å; K689-R691 VanDerWaalsContact C-N 3.28Å; K689-R691 PolarHBondContact O-N 3.01Å; K689-E692 WeakPolarHBondContact CD-OE2 3.37Å; K689-E692 WeakPolarHBondContact CE-OE2 3.46Å; K689-E692 IonicContact NZ-OE1 2.78Å; K689-E692 IonicContact NZ-OE2 2.69Å; K689-E692 PolarHBondContact NZ-OE2 2.92Å; K689-E692 WeakPolarHBondContact O-CB 3.38Å; K689-E692 PolarHBondContact O-N 2.78Å; K689-E692 VanDerWaalsContact O-N 3.12Å; K689-V693 VanDerWaalsContact O-CG2 3.27Å; K689-V693 WeakPolarHBondContact O-CG2 3.42Å; K689-V693 PolarHBondContact O-N 3.32Å; K689-D705 IonicContact NZ-OD2 2.76Å; K689-D705 PolarHBondContact NZ-OD2 3.13Å
690L95.4Very high93Very high0 Ų061.5 Ų61.50%028%0.277CS..Hα-helixtrans-55.9-40.1174-82.2167.8000112.5F400 L402 H490 A491 V520 L686 E688 Y694 V699F400-L690 HydrophobicContact CB-CD1 4.05Å; F400-L690 HydrophobicContact CD1-CB 4.27Å; F400-L690 HydrophobicContact CD1-CD1 4.44Å; F400-L690 HydrophobicContact CD1-CD2 4.03Å; F400-L690 HydrophobicContact CD2-CB 4.27Å; F400-L690 HydrophobicContact CD2-CD1 4.48Å; F400-L690 HydrophobicContact CE1-CB 4.18Å; F400-L690 HydrophobicContact CE1-CD2 4.36Å; F400-L690 HydrophobicContact CE2-CB 4.18Å; F400-L690 HydrophobicContact CG-CB 4.31Å; F400-L690 HydrophobicContact CG-CD1 4.09Å; F400-L690 HydrophobicContact CG-CD2 4.49Å; F400-L690 HydrophobicContact CZ-CB 4.13Å; L402-L690 HydrophobicContact CD1-CD1 4.26Å; L402-L690 HydrophobicContact CD2-CD1 4Å; L402-L690 HydrophobicContact CG-CD1 4.2Å; H490-L690 HydrophobicContact CB-CD2 3.84Å; H490-L690 WeakPolarHBondContact O-CD2 3.36Å; A491-L690 HydrophobicContact CB-CD1 4.01Å; A491-L690 HydrophobicContact CB-CD2 4.2Å; A491-L690 HydrophobicContact CB-CG 4.28Å; V520-L690 HydrophobicContact CG2-CD2 4Å; V520-L690 HydrophobicContact CG2-CG 4.12Å; L686-L690 WeakPolarHBondContact O-CB 3.43Å; L686-L690 WeakPolarHBondContact O-CD1 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.2Å; L686-L690 PolarHBondContact O-N 3.22Å; E688-L690 VanDerWaalsContact C-N 3.29Å; E688-L690 PolarHBondContact O-N 3.02Å; L690-Y694 WeakPolarHBondContact O-CB 3.42Å; L690-Y694 PolarHBondContact O-N 2.99Å; L690-V699 HydrophobicContact CD2-CG1 4.08Å; L690-V699 HydrophobicContact CD2-CG2 3.88Å
691R93.3Very high92.9Very high139 Ų13961.4 Ų61.453%0.52528%0.276SS..Hα-helixtrans-69.3-37.7176.4-64.3165.7-166.7148.46.8112F400 S687 E688 K689F400-R691 HydrophobicContact CE2-CG 4.24Å; S687-R691 WeakPolarHBondContact O-CG 3.47Å; S687-R691 PolarHBondContact O-N 3.11Å; E688-R691 WeakPolarHBondContact O-CB 3.46Å; E688-R691 PolarHBondContact O-N 2.81Å; K689-R691 VanDerWaalsContact C-N 3.28Å; K689-R691 PolarHBondContact O-N 3.01Å
692E93.6Very high92.7Very high93 Ų9363.5 Ų63.544%0.43529%0.29SS..Hα-helixtrans-64.3-41176.9-65177.4-171.900112.9E688 K689E688-E692 PolarHBondContact O-N 3.32Å; E688-E692 VanDerWaalsContact O-N 3.14Å; K689-E692 WeakPolarHBondContact CD-OE2 3.37Å; K689-E692 WeakPolarHBondContact CE-OE2 3.46Å; K689-E692 IonicContact NZ-OE1 2.78Å; K689-E692 IonicContact NZ-OE2 2.69Å; K689-E692 PolarHBondContact NZ-OE2 2.92Å; K689-E692 WeakPolarHBondContact O-CB 3.38Å; K689-E692 PolarHBondContact O-N 2.78Å; K689-E692 VanDerWaalsContact O-N 3.12Å
693V93.8Very high92.5Very high26 Ų2665.7 Ų65.716%0.15831%0.308CS..Hα-helixtrans-93.1-6.6-175.5-58.90000114.5V520 K689 R695 V699 F700 A701V520-V693 HydrophobicContact CG2-CG2 3.87Å; K689-V693 VanDerWaalsContact O-CG2 3.27Å; K689-V693 WeakPolarHBondContact O-CG2 3.42Å; K689-V693 PolarHBondContact O-N 3.32Å; V693-R695 PolarHBondContact O-N 3.05Å; V693-V699 HydrophobicContact CG2-CG1 3.79Å; V693-F700 PolarHBondContact O-N 2.96Å; V693-A701 HydrophobicContact CB-CB 4.36Å; V693-A701 HydrophobicContact CG1-CB 4.19Å; V693-A701 HydrophobicContact CG2-CB 4.11Å
694Y92.6Very high92.3Very high82 Ų8269.2 Ų69.232%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-78.4115.3177.7-177.4-109.2000111.3F400 L690 G697 R698 V699F400-Y694 AromaticContact CE1-CD2 3.63Å; F400-Y694 HydrophobicContact CE1-CD2 3.63Å; F400-Y694 HydrophobicContact CE1-CE2 4.22Å; F400-Y694 AromaticContact CE1-CG 3.83Å; F400-Y694 HydrophobicContact CE1-CG 3.83Å; F400-Y694 HydrophobicContact CZ-CD1 4.37Å; F400-Y694 HydrophobicContact CZ-CD2 4.18Å; F400-Y694 AromaticContact CZ-CG 3.9Å; F400-Y694 HydrophobicContact CZ-CG 3.9Å; L690-Y694 WeakPolarHBondContact O-CB 3.42Å; L690-Y694 PolarHBondContact O-N 2.99Å; Y694-G697 VanDerWaalsContact CE2-C 3.44Å; Y694-R698 WeakPolarHBondContact CA-O 3.46Å; Y694-V699 HydrophobicContact CD2-CG2 3.93Å
695R86.8Confident92.3Very high191 Ų19169.7 Ų69.772%0.72133%0.333SS*.EExtended strand (participates in β ladder)trans-140.6137.4-178.4-60.9-175.3-177.1-171.70.3110.3V693 G697 R698V693-R695 PolarHBondContact O-N 3.05Å; R695-G697 PolarHBondContact O-N 3.4Å; R695-G697 VanDerWaalsContact O-N 3.13Å; R695-R698 PolarHBondContact N-O 3.28Å; R695-R698 PolarHBondContact O-N 3.19Å
696K83Confident92.2Very high222 Ų22268.5 Ų68.597%0.96533%0.329SS*.THydrogen-bonded Turntrans50.636.2176.6-57.7-177.4177.2-178.40114.3
697G81.3Confident92.3Very high52 Ų5268.6 Ų68.654%0.53633%0.33SS..THydrogen-bonded Turntrans86.20.2179.600000115.8Y694 R695Y694-G697 VanDerWaalsContact CE2-C 3.44Å; R695-G697 PolarHBondContact O-N 3.4Å; R695-G697 VanDerWaalsContact O-N 3.13Å
698R87.7Confident92.4Very high110 Ų11068.7 Ų68.742%0.41533%0.33SS..EExtended strand (participates in β ladder)trans-127.8147.5-177.4-175.3176.1-176.5-179.27.2111.9E515 Y694 R695E515-R698 IonicContact OE1-CZ 2.87Å; E515-R698 IonicContact OE1-NH1 3.46Å; E515-R698 PolarHBondContact OE1-NH1 3Å; E515-R698 IonicContact OE1-NH2 2.94Å; E515-R698 PolarHBondContact OE1-NH2 3.38Å; E515-R698 IonicContact OE2-CZ 3.45Å; E515-R698 IonicContact OE2-NH1 2.76Å; E515-R698 PolarHBondContact OE2-NH1 3.08Å; E515-R698 IonicContact OE2-NH2 3.98Å; E515-R698 PolarHBondContact OE2-NH2 3.31Å; Y694-R698 WeakPolarHBondContact CA-O 3.46Å; R695-R698 PolarHBondContact N-O 3.28Å; R695-R698 PolarHBondContact O-N 3.19Å
699V91Very high92.6Very high10 Ų1063.4 Ų63.46%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-87.3127.5165.8170.20000109F400 H490 L690 V693 Y694F400-V699 HydrophobicContact CD1-CG2 4.09Å; F400-V699 HydrophobicContact CE1-CG2 3.81Å; H490-V699 HydrophobicContact CB-CG2 4.18Å; L690-V699 HydrophobicContact CD2-CG1 4.08Å; L690-V699 HydrophobicContact CD2-CG2 3.88Å; V693-V699 HydrophobicContact CG2-CG1 3.79Å; Y694-V699 HydrophobicContact CD2-CG2 3.93Å
700F93.8Very high92.7Very high94 Ų9462.1 Ų62.141%0.41230%0.3SS..  trans-138.394.4173-173.5-91.9000110.6E515 C518 V693 N702E515-F700 HydrophobicContact CG-CD2 4.2Å; E515-F700 HydrophobicContact CG-CE2 3.71Å; E515-F700 WeakPolarHBondContact OE1-CE2 3.25Å; C518-F700 HydrophobicContact CB-CD2 3.82Å; C518-F700 HydrophobicContact CB-CE2 3.94Å; C518-F700 HydrophobicContact CB-CG 4.38Å; V693-F700 PolarHBondContact O-N 2.96Å; F700-N702 HydrophobicContact CD1-CB 4.42Å; F700-N702 HydrophobicContact CE1-CB 3.72Å; F700-N702 HydrophobicContact CZ-CB 4.08Å
701A93.2Very high92.5Very high1 Ų162.1 Ų62.11%0.00830%0.3CS..  trans-107.193-177.500000110.7R511 C518 V520 V693R511-A701 PolarHBondContact NE-O 2.8Å; R511-A701 PolarHBondContact NH1-O 3.32Å; R511-A701 PolarHBondContact NH2-O 3.11Å; R511-A701 VanDerWaalsContact NH2-O 3.15Å; C518-A701 CarbonylContact C-O 3.59Å; C518-A701 VanDerWaalsContact CA-O 3.32Å; C518-A701 WeakPolarHBondContact CA-O 3.32Å; C518-A701 PolarHBondContact O-N 2.9Å; V520-A701 HydrophobicContact CG2-CB 4.07Å; V693-A701 HydrophobicContact CB-CB 4.36Å; V693-A701 HydrophobicContact CG1-CB 4.19Å; V693-A701 HydrophobicContact CG2-CB 4.11Å
702N92.3Very high92.3Very high92 Ų9256.5 Ų56.549%0.49228%0.281SS..  trans-113.3-4.6177.2-162.631.5000113.9F700F700-N702 HydrophobicContact CD1-CB 4.42Å; F700-N702 HydrophobicContact CE1-CB 3.72Å; F700-N702 HydrophobicContact CZ-CB 4.08Å
703A93.7Very high91.9Very high45 Ų4556.1 Ų56.137%0.37228%0.278SS..SBendtrans-72.4150.6177.100000111.7R511 D705 S706R511-A703 PolarHBondContact NH1-O 2.99Å; A703-D705 VanDerWaalsContact C-N 3.29Å; A703-D705 WeakPolarHBondContact CB-OD1 3.28Å; A703-D705 PolarHBondContact O-N 2.9Å; A703-S706 WeakPolarHBondContact O-CB 3.41Å; A703-S706 PolarHBondContact O-N 2.84Å; A703-S706 VanDerWaalsContact O-N 3.14Å; A703-S706 PolarHBondContact O-OG 2.98Å
704P91.8Very high91.3Very high74 Ų7461.5 Ų61.548%0.48130%0.299SS..G310 helixtrans-57.4-38.8179.6-26.835.9000113.9S706 A707 P721P704-S706 PolarHBondContact O-N 2.91Å; P704-S706 VanDerWaalsContact O-N 3.11Å; P704-A707 PolarHBondContact O-N 3.33Å; P704-P721 HydrophobicContact CB-CB 4.41Å
705D94.6Very high90.5Very high68 Ų6860.7 Ų60.736%0.36430%0.297SS..G310 helixtrans-70.4-1.6-18075.4-48.4000114.2W685 K689 A703 C708W685-D705 VanDerWaalsContact CZ2-O 3.23Å; W685-D705 WeakPolarHBondContact CZ2-O 3.26Å; K689-D705 IonicContact NZ-OD2 2.76Å; K689-D705 PolarHBondContact NZ-OD2 3.13Å; A703-D705 VanDerWaalsContact C-N 3.29Å; A703-D705 WeakPolarHBondContact CB-OD1 3.28Å; A703-D705 PolarHBondContact O-N 2.9Å; D705-C708 PolarHBondContact O-SG 3.12Å
706S96.2Very high90.3Very high2 Ų253.8 Ų53.81%0.01428%0.281CS..G310 helixtrans-88.7-2.6173.768.90000114.3R511 V520 M521 A703 P704R511-S706 PolarHBondContact NH1-OG 3.14Å; R511-S706 PolarHBondContact NH2-OG 2.89Å; V520-S706 CarbonylContact C-O 3.59Å; V520-S706 WeakPolarHBondContact CA-O 3.34Å; V520-S706 WeakPolarHBondContact CG1-O 3.29Å; M521-S706 PolarHBondContact N-O 3.1Å; A703-S706 WeakPolarHBondContact O-CB 3.41Å; A703-S706 PolarHBondContact O-N 2.84Å; A703-S706 VanDerWaalsContact O-N 3.14Å; A703-S706 PolarHBondContact O-OG 2.98Å; P704-S706 PolarHBondContact O-N 2.91Å; P704-S706 VanDerWaalsContact O-N 3.11Å
707A97.9Very high90.6Very high1 Ų144.4 Ų44.41%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-137.597.8177.900000110.4V508 M521 P704 P721 V722V508-A707 HydrophobicContact CG2-CB 3.28Å; M521-A707 HydrophobicContact CB-CB 4.11Å; M521-A707 VanDerWaalsContact O-CA 3.3Å; M521-A707 WeakPolarHBondContact O-CA 3.45Å; P704-A707 PolarHBondContact O-N 3.33Å; A707-P721 WeakPolarHBondContact O-CA 3.31Å; A707-V722 HydrophobicContact CB-CG2 4.11Å; A707-V722 PolarHBondContact O-N 3.06Å
708C98.3Very high91.1Very high3 Ų343.3 Ų43.32%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-126.6151.8-167.3-69.10000113.4M521 C522 V523 W685 D705 F719 S720M521-C708 PolarHBondContact O-N 2.87Å; M521-C708 VanDerWaalsContact O-N 3.09Å; C522-C708 CarbonylContact C-O 3.56Å; C522-C708 VanDerWaalsContact CA-O 3.31Å; C522-C708 WeakPolarHBondContact CA-O 3.18Å; V523-C708 PolarHBondContact N-O 3.32Å; W685-C708 HydrophobicContact CH2-CB 3.8Å; W685-C708 HydrophobicContact CZ2-CB 3.95Å; D705-C708 PolarHBondContact O-SG 3.12Å; C708-F719 HydrophobicContact CB-CB 3.92Å; C708-F719 HydrophobicContact CB-CD1 4.27Å; C708-S720 CarbonylContact C-O 3.56Å; C708-S720 VanDerWaalsContact CA-O 3.29Å; C708-S720 WeakPolarHBondContact CA-O 3.43Å
709V98.3Very high91.5Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-87128.9158.4-174.60000108Y501 V523 P525 F719 S720 V722 L725Y501-V709 HydrophobicContact CD2-CG2 3.82Å; Y501-V709 HydrophobicContact CE2-CG2 4.44Å; V523-V709 HydrophobicContact CB-CG2 4.18Å; V523-V709 WeakPolarHBondContact O-CA 3.27Å; P525-V709 HydrophobicContact CG-CG1 3.42Å; P525-V709 VanDerWaalsContact CG-CG1 3.42Å; V709-F719 WeakPolarHBondContact O-CA 3.17Å; V709-S720 PolarHBondContact N-O 2.87Å; V709-S720 PolarHBondContact O-N 2.94Å; V709-V722 HydrophobicContact CG2-CG1 4.04Å; V709-L725 HydrophobicContact CB-CD1 3.8Å; V709-L725 HydrophobicContact CG2-CD1 3.43Å; V709-L725 VanDerWaalsContact CG2-CD1 3.43Å
710I97.6Very high91.8Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-89.1130168.1-169.6-178.1000109.1V523 I524 P525 L678 K681 A682 V717 A718 F719V523-I710 WeakPolarHBondContact O-CG2 3.4Å; V523-I710 PolarHBondContact O-N 3.1Å; I524-I710 HydrophobicContact CB-CG2 4.33Å; I524-I710 HydrophobicContact CG1-CG2 3.6Å; P525-I710 WeakPolarHBondContact CD-O 3.39Å; L678-I710 HydrophobicContact CD2-CD1 3.97Å; L678-I710 HydrophobicContact CD2-CG1 4.09Å; L678-I710 HydrophobicContact CD2-CG2 4.46Å; K681-I710 HydrophobicContact CB-CD1 3.88Å; A682-I710 HydrophobicContact CB-CD1 4.15Å; A682-I710 HydrophobicContact CB-CG2 4.33Å; I710-V717 HydrophobicContact CD1-CG1 3.72Å; I710-V717 HydrophobicContact CG1-CG1 3.48Å; I710-V717 VanDerWaalsContact CG1-CG1 3.48Å; I710-A718 WeakPolarHBondContact CA-O 3.27Å; I710-F719 HydrophobicContact CB-CD1 3.95Å; I710-F719 HydrophobicContact CB-CE1 3.7Å; I710-F719 HydrophobicContact CB-CZ 4.28Å; I710-F719 HydrophobicContact CD1-CE1 3.66Å; I710-F719 HydrophobicContact CD1-CE2 4.15Å; I710-F719 HydrophobicContact CD1-CZ 3.39Å; I710-F719 HydrophobicContact CG1-CD1 4.15Å; I710-F719 HydrophobicContact CG1-CE1 3.68Å; I710-F719 HydrophobicContact CG1-CE2 4.22Å; I710-F719 HydrophobicContact CG1-CZ 3.72Å
711G92.4Very high91.9Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-155.5157.4-177.900000112.9T535 V717 A718T535-G711 VanDerWaalsContact OG1-CA 3.3Å; T535-G711 WeakPolarHBondContact OG1-CA 3.44Å; G711-V717 CarbonylContact O-C 3.59Å; G711-V717 WeakPolarHBondContact O-CA 3.44Å; G711-A718 PolarHBondContact N-O 2.85Å; G711-A718 PolarHBondContact O-N 3.37Å
712L89.8Confident92.1Very high21 Ų2137 Ų3711%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-77.6128.5166.2-17172.2000108.4T535 D536 F537 Y674 V717 F780T535-L712 PolarHBondContact OG1-N 2.97Å; D536-L712 WeakPolarHBondContact CB-O 3.17Å; D536-L712 PolarHBondContact N-O 2.9Å; F537-L712 HydrophobicContact CD2-CD2 3.9Å; F537-L712 HydrophobicContact CE2-CD2 4.06Å; Y674-L712 HydrophobicContact CE2-CB 4.25Å; Y674-L712 WeakPolarHBondContact OH-CB 3.32Å; Y674-L712 PolarHBondContact OH-N 2.91Å; L712-V717 HydrophobicContact CD1-CG2 4.48Å; L712-F780 HydrophobicContact CD1-CE2 4.18Å
713K85.1Confident92.3Very high85 Ų8535 Ų3537%0.3720%0.196SC..EExtended strand (participates in β ladder)trans-122.9111.4168.3-73.2-175.8171.1176.70108.3G534 K715 A716 A718 S720G534-K713 VanDerWaalsContact O-CE 3.25Å; G534-K713 WeakPolarHBondContact O-CE 3.34Å; K713-K715 PolarHBondContact O-N 3.16Å; K713-A716 PolarHBondContact N-O 3.18Å; K713-A716 PolarHBondContact O-N 2.78Å; K713-A716 VanDerWaalsContact O-N 3.1Å; K713-A718 HydrophobicContact CD-CB 4.12Å; K713-A718 HydrophobicContact CG-CB 4.44Å; K713-S720 PolarHBondContact NZ-OG 2.84Å
714K79.6Confident92.4Very high139 Ų13938 Ų3860%0.60420%0.203SC*.THydrogen-bonded Turntrans57.8-87.9-171.1-56.1-178.5178.2-174.20112.8G340 D536G340-K714 WeakPolarHBondContact CA-O 3.48Å; D536-K714 PolarHBondContact OD2-N 3.32Å
715K76.3Confident92.6Very high65 Ų6534.8 Ų34.828%0.28318%0.181SC..THydrogen-bonded Turntrans-116.7-21.3179.6-74.7-171.3170-173.80113.9S339 K713 D777 G779S339-K715 WeakPolarHBondContact OG-CE 3.28Å; K713-K715 PolarHBondContact O-N 3.16Å; K715-D777 WeakPolarHBondContact CD-OD1 3.37Å; K715-D777 IonicContact NZ-OD1 2.74Å; K715-D777 PolarHBondContact NZ-OD1 3.3Å; K715-D777 IonicContact NZ-OD2 3.86Å; K715-D777 PolarHBondContact NZ-OD2 2.72Å; K715-G779 WeakPolarHBondContact O-CA 3.23Å
716A82.6Confident92.6Very high46 Ų4635.9 Ų35.938%0.3818%0.183SC..EExtended strand (participates in β ladder)trans-105.6144.6-168.800000111.3K713K713-A716 PolarHBondContact N-O 3.18Å; K713-A716 PolarHBondContact O-N 2.78Å; K713-A716 VanDerWaalsContact O-N 3.1Å
717V88.4Confident92.4Very high24 Ų2443.6 Ų43.615%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-79123.5166.41770000108.2I710 G711 L712 F780I710-V717 HydrophobicContact CD1-CG1 3.72Å; I710-V717 HydrophobicContact CG1-CG1 3.48Å; I710-V717 VanDerWaalsContact CG1-CG1 3.48Å; G711-V717 CarbonylContact O-C 3.59Å; G711-V717 WeakPolarHBondContact O-CA 3.44Å; L712-V717 HydrophobicContact CD1-CG2 4.48Å; V717-F780 HydrophobicContact CG2-CD1 3.47Å; V717-F780 VanDerWaalsContact CG2-CD1 3.47Å; V717-F780 HydrophobicContact CG2-CD2 3.86Å; V717-F780 HydrophobicContact CG2-CE1 3.32Å; V717-F780 HydrophobicContact CG2-CE2 3.74Å; V717-F780 HydrophobicContact CG2-CG 3.73Å; V717-F780 HydrophobicContact CG2-CZ 3.47Å; V717-F780 VanDerWaalsContact CG2-CZ 3.47Å
718A92.3Very high92Very high29 Ų2947.9 Ų47.924%0.2424%0.239CC..EExtended strand (participates in β ladder)trans-119.2144-179.700000110.7I710 G711 K713I710-A718 WeakPolarHBondContact CA-O 3.27Å; G711-A718 PolarHBondContact N-O 2.85Å; G711-A718 PolarHBondContact O-N 3.37Å; K713-A718 HydrophobicContact CD-CB 4.12Å; K713-A718 HydrophobicContact CG-CB 4.44Å
719F96.4Very high91.9Very high58 Ų5847.8 Ų47.825%0.25424%0.238SC..EExtended strand (participates in β ladder)trans-100.3111167.5-67.9-93.1000107.6W685 C708 V709 I710W685-F719 HydrophobicContact CB-CD1 4.43Å; W685-F719 HydrophobicContact CB-CE1 3.6Å; W685-F719 HydrophobicContact CB-CE2 3.96Å; W685-F719 HydrophobicContact CB-CZ 3.32Å; W685-F719 AromaticContact CD1-CD1 3.96Å; W685-F719 AromaticContact CD1-CD2 3.75Å; W685-F719 AromaticContact CD1-CE1 3.94Å; W685-F719 AromaticContact CD1-CE2 3.74Å; W685-F719 AromaticContact CD1-CG 3.86Å; W685-F719 AromaticContact CD1-CZ 3.84Å; W685-F719 AromaticContact CD2-CD1 3.51Å; W685-F719 HydrophobicContact CD2-CD1 3.51Å; W685-F719 AromaticContact CD2-CE1 3.48Å; W685-F719 HydrophobicContact CD2-CE1 3.48Å; W685-F719 VanDerWaalsContact CD2-CE1 3.48Å; W685-F719 HydrophobicContact CD2-CG 4.13Å; W685-F719 HydrophobicContact CD2-CZ 4.08Å; W685-F719 AromaticContact CE2-CD1 3.63Å; W685-F719 AromaticContact CE2-CG 3.88Å; W685-F719 AromaticContact CE3-CD1 3.96Å; W685-F719 HydrophobicContact CE3-CD1 3.96Å; W685-F719 AromaticContact CE3-CE1 3.83Å; W685-F719 HydrophobicContact CE3-CE1 3.83Å; W685-F719 AromaticContact CG-CD1 3.74Å; W685-F719 HydrophobicContact CG-CD1 3.74Å; W685-F719 HydrophobicContact CG-CD2 4.16Å; W685-F719 AromaticContact CG-CE1 3.38Å; W685-F719 HydrophobicContact CG-CE1 3.38Å; W685-F719 AromaticContact CG-CE2 3.85Å; W685-F719 HydrophobicContact CG-CE2 3.85Å; W685-F719 HydrophobicContact CG-CG 4.11Å; W685-F719 AromaticContact CG-CZ 3.45Å; W685-F719 HydrophobicContact CG-CZ 3.45Å; W685-F719 VanDerWaalsContact CG-CZ 3.45Å; W685-F719 HydrophobicContact CZ2-CB 4.43Å; W685-F719 HydrophobicContact CZ2-CD1 4.16Å; W685-F719 HydrophobicContact CZ2-CG 4.47Å; W685-F719 HydrophobicContact CZ3-CD1 4.46Å; W685-F719 AromaticContact NE1-CD1 3.88Å; W685-F719 AromaticContact NE1-CD2 3.97Å; W685-F719 AromaticContact NE1-CG 3.69Å; C708-F719 HydrophobicContact CB-CB 3.92Å; C708-F719 HydrophobicContact CB-CD1 4.27Å; V709-F719 WeakPolarHBondContact O-CA 3.17Å; I710-F719 HydrophobicContact CB-CD1 3.95Å; I710-F719 HydrophobicContact CB-CE1 3.7Å; I710-F719 HydrophobicContact CB-CZ 4.28Å; I710-F719 HydrophobicContact CD1-CE1 3.66Å; I710-F719 HydrophobicContact CD1-CE2 4.15Å; I710-F719 HydrophobicContact CD1-CZ 3.39Å; I710-F719 HydrophobicContact CG1-CD1 4.15Å; I710-F719 HydrophobicContact CG1-CE1 3.68Å; I710-F719 HydrophobicContact CG1-CE2 4.22Å; I710-F719 HydrophobicContact CG1-CZ 3.72Å
720S96.4Very high91.8Very high10 Ų1049.2 Ų49.27%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-107.1122.1-178.1-56.30000109.8C708 V709 K713 V722C708-S720 CarbonylContact C-O 3.56Å; C708-S720 VanDerWaalsContact CA-O 3.29Å; C708-S720 WeakPolarHBondContact CA-O 3.43Å; V709-S720 PolarHBondContact N-O 2.87Å; V709-S720 PolarHBondContact O-N 2.94Å; K713-S720 PolarHBondContact NZ-OG 2.84Å; S720-V722 PolarHBondContact O-N 3.48Å
721P97.7Very high91.8Very high14 Ų1452.8 Ų52.89%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-55.2133.5179.3-28.135.9000112.8P704 A707 T723 E724 L725P704-P721 HydrophobicContact CB-CB 4.41Å; A707-P721 WeakPolarHBondContact O-CA 3.31Å; P721-T723 PolarHBondContact O-N 2.98Å; P721-E724 HydrophobicContact CB-CB 4.23Å; P721-E724 HydrophobicContact CB-CG 3.99Å; P721-E724 WeakPolarHBondContact CD-OE2 3.43Å; P721-E724 HydrophobicContact CG-CG 4.28Å; P721-E724 PolarHBondContact O-N 2.98Å; P721-L725 PolarHBondContact O-N 3.07Å; P721-L725 VanDerWaalsContact O-N 3.16Å
722V97.1Very high91.9Very high0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-61.2-29.5-178.7-62.50000112.5Y501 V504 L505 V508 A707 V709 S720 K726Y501-V722 HydrophobicContact CD2-CB 4.35Å; Y501-V722 HydrophobicContact CD2-CG1 4.17Å; Y501-V722 HydrophobicContact CE2-CB 4.06Å; Y501-V722 HydrophobicContact CE2-CG1 4.34Å; V504-V722 HydrophobicContact CG1-CG1 4.04Å; V504-V722 HydrophobicContact CG1-CG2 4.41Å; L505-V722 HydrophobicContact CB-CG2 4.48Å; L505-V722 HydrophobicContact CD1-CB 4.49Å; L505-V722 HydrophobicContact CD1-CG2 4.15Å; V508-V722 HydrophobicContact CB-CG2 4.33Å; V508-V722 HydrophobicContact CG2-CG2 3.91Å; A707-V722 HydrophobicContact CB-CG2 4.11Å; A707-V722 PolarHBondContact O-N 3.06Å; V709-V722 HydrophobicContact CG2-CG1 4.04Å; S720-V722 PolarHBondContact O-N 3.48Å; V722-K726 PolarHBondContact O-N 2.99Å
723T95.9Very high92.2Very high52 Ų5261.1 Ų61.132%0.31930%0.3SS..Hα-helixtrans-75.6-24.917849.40000113.5L505 V508 P721 K726L505-T723 HydrophobicContact CD1-CG2 4.1Å; V508-T723 HydrophobicContact CG1-CG2 3.8Å; P721-T723 PolarHBondContact O-N 2.98Å; T723-K726 WeakPolarHBondContact O-CB 3.46Å
724E95.4Very high92.7Very high107 Ų10760.7 Ų60.750%0.530%0.296SS..Hα-helixtrans-78.4-47.6173.9-71.2178.5-17700110.5P721 K726 K727P721-E724 HydrophobicContact CB-CB 4.23Å; P721-E724 HydrophobicContact CB-CG 3.99Å; P721-E724 WeakPolarHBondContact CD-OE2 3.43Å; P721-E724 HydrophobicContact CG-CG 4.28Å; P721-E724 PolarHBondContact O-N 2.98Å; E724-K726 PolarHBondContact O-N 2.93Å; E724-K727 PolarHBondContact O-N 3.15Å; E724-K727 VanDerWaalsContact O-N 3.09Å
725L95.4Very high93.4Very high6 Ų654.7 Ų54.73%0.03127%0.27CS..Hα-helixtrans-56.8-23.1177.1-67.2175.4000113.4Y501 P533 V709 P721 K727 D728 T729Y501-L725 HydrophobicContact CE2-CB 3.98Å; Y501-L725 HydrophobicContact CE2-CD1 4.27Å; Y501-L725 PolarHBondContact OH-O 3.45Å; P533-L725 HydrophobicContact CB-CB 4.19Å; P533-L725 HydrophobicContact CB-CD1 4.43Å; P533-L725 HydrophobicContact CB-CD2 4.28Å; V709-L725 HydrophobicContact CB-CD1 3.8Å; V709-L725 HydrophobicContact CG2-CD1 3.43Å; V709-L725 VanDerWaalsContact CG2-CD1 3.43Å; P721-L725 PolarHBondContact O-N 3.07Å; P721-L725 VanDerWaalsContact O-N 3.16Å; L725-K727 PolarHBondContact O-N 3.3Å; L725-K727 VanDerWaalsContact O-N 3.14Å; L725-D728 CarbonylContact O-C 3.59Å; L725-D728 PolarHBondContact O-N 2.85Å; L725-T729 PolarHBondContact O-N 3.27Å; L725-T729 PolarHBondContact O-OG1 3.26Å
726K95.2Very high94.2Very high92 Ų9252.3 Ų52.340%0.426%0.261SS..THydrogen-bonded Turntrans-52.2-32.6174.3-171.5175.6-174.2172.90113Y501 L505 E509 V722 T723 E724 F731Y501-K726 WeakPolarHBondContact OH-CA 3.35Å; Y501-K726 PolarHBondContact OH-N 3.01Å; Y501-K726 VanDerWaalsContact OH-N 3.14Å; L505-K726 HydrophobicContact CD2-CB 4.4Å; L505-K726 HydrophobicContact CD2-CD 4.13Å; L505-K726 HydrophobicContact CD2-CG 4.19Å; E509-K726 IonicContact OE1-NZ 2.68Å; E509-K726 PolarHBondContact OE1-NZ 3.44Å; V722-K726 PolarHBondContact O-N 2.99Å; T723-K726 WeakPolarHBondContact O-CB 3.46Å; E724-K726 PolarHBondContact O-N 2.93Å; K726-F731 HydrophobicContact CG-CE2 3.84Å; K726-F731 HydrophobicContact CG-CZ 3.94Å
727K93Very high94.5Very high163 Ų16357.5 Ų57.571%0.70927%0.271SS*.THydrogen-bonded Turntrans-68.4-42.3177.8-61.6172.4-175.9171.90111.7E724 L725 T729 R737E724-K727 PolarHBondContact O-N 3.15Å; E724-K727 VanDerWaalsContact O-N 3.09Å; L725-K727 PolarHBondContact O-N 3.3Å; L725-K727 VanDerWaalsContact O-N 3.14Å; K727-T729 PolarHBondContact O-N 3.4Å; K727-R737 PolarHBondContact O-NE 3.44Å
728D89.9Confident94.3Very high91 Ų9164.8 Ų64.849%0.48730%0.303SS..THydrogen-bonded Turntrans-87.66.8-175.2-47.6-29.1000112.2L725 P736 R737L725-D728 CarbonylContact O-C 3.59Å; L725-D728 PolarHBondContact O-N 2.85Å; D728-P736 WeakPolarHBondContact O-CA 3.34Å; D728-R737 WeakPolarHBondContact O-CG 3.48Å; D728-R737 PolarHBondContact O-N 2.92Å
729T96.2Very high94Very high2 Ų264.5 Ų64.51%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-98134.4-178.3-56.70000111.4F498 Y501 P533 L725 K727 F731 R737F498-T729 HydrophobicContact CE2-CG2 3.74Å; F498-T729 HydrophobicContact CZ-CG2 3.59Å; Y501-T729 HydrophobicContact CE1-CG2 3.96Å; Y501-T729 PolarHBondContact OH-OG1 3.13Å; P533-T729 HydrophobicContact CG-CG2 4.25Å; P533-T729 WeakPolarHBondContact CG-OG1 3.24Å; L725-T729 PolarHBondContact O-N 3.27Å; L725-T729 PolarHBondContact O-OG1 3.26Å; K727-T729 PolarHBondContact O-N 3.4Å; T729-F731 HydrophobicContact CG2-CD1 3.95Å; T729-F731 HydrophobicContact CG2-CD2 3.62Å; T729-F731 HydrophobicContact CG2-CE1 3.83Å; T729-F731 HydrophobicContact CG2-CE2 3.5Å; T729-F731 VanDerWaalsContact CG2-CE2 3.5Å; T729-F731 HydrophobicContact CG2-CG 3.84Å; T729-F731 HydrophobicContact CG2-CZ 3.6Å; T729-R737 PolarHBondContact O-NE 3.45Å; T729-R737 PolarHBondContact O-NH2 2.98Å
730D96.1Very high93.5Very high30 Ų3064.9 Ų64.916%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-94.3112.3154.8-170-36.9000108.9E732 H733 R734 M735D730-E732 WeakPolarHBondContact OD1-CB 3.29Å; D730-E732 PolarHBondContact OD1-N 2.89Å; D730-H733 VanDerWaalsContact CG-ND1 3.32Å; D730-H733 IonicContact OD1-CG 3.18Å; D730-H733 PolarHBondContact OD1-N 3.47Å; D730-H733 IonicContact OD1-ND1 2.92Å; D730-H733 PolarHBondContact OD1-ND1 3.1Å; D730-H733 IonicContact OD2-CE1 3.89Å; D730-H733 IonicContact OD2-CG 2.7Å; D730-H733 IonicContact OD2-ND1 3.12Å; D730-H733 PolarHBondContact OD2-ND1 2.8Å; D730-R734 CarbonylContact O-C 3.53Å; D730-R734 WeakPolarHBondContact O-CA 3.44Å; D730-R734 PolarHBondContact O-N 2.98Å; D730-M735 HydrophobicContact CB-CG 4.27Å; D730-M735 PolarHBondContact N-O 3.46Å; D730-M735 PolarHBondContact O-N 3.43Å
731F95.7Very high93.2Very high75 Ų7564.5 Ų64.533%0.32929%0.294SS..THydrogen-bonded Turntrans-84.9-20.2-179.9-72.5-86.1000113.3F498 Y501 E502 L505 K726 T729F498-F731 HydrophobicContact CE1-CD1 4.04Å; F498-F731 AromaticContact CZ-CD1 3.83Å; F498-F731 HydrophobicContact CZ-CD1 3.83Å; F498-F731 HydrophobicContact CZ-CE1 4.23Å; F498-F731 HydrophobicContact CZ-CG 4.45Å; Y501-F731 HydrophobicContact CE1-CE1 4.31Å; Y501-F731 HydrophobicContact CE1-CZ 4.39Å; E502-F731 HydrophobicContact CG-CE1 4.38Å; L505-F731 HydrophobicContact CD2-CE1 4.03Å; L505-F731 HydrophobicContact CD2-CZ 3.72Å; K726-F731 HydrophobicContact CG-CE2 3.84Å; K726-F731 HydrophobicContact CG-CZ 3.94Å; T729-F731 HydrophobicContact CG2-CD1 3.95Å; T729-F731 HydrophobicContact CG2-CD2 3.62Å; T729-F731 HydrophobicContact CG2-CE1 3.83Å; T729-F731 HydrophobicContact CG2-CE2 3.5Å; T729-F731 VanDerWaalsContact CG2-CE2 3.5Å; T729-F731 HydrophobicContact CG2-CG 3.84Å; T729-F731 HydrophobicContact CG2-CZ 3.6Å
732E95.3Very high92.7Very high159 Ų15966.7 Ų66.774%0.74331%0.305SS*.THydrogen-bonded Turntrans-76.6-51.1178.3179.9173.1-160.300109.7D730 R734D730-E732 WeakPolarHBondContact OD1-CB 3.29Å; D730-E732 PolarHBondContact OD1-N 2.89Å; E732-R734 VanDerWaalsContact C-N 3.33Å
733H95.4Very high92Very high37 Ų3770.3 Ų70.317%0.17133%0.33CS..THydrogen-bonded Turntrans-85.3-10177.4-54.897.4000112.8Y575 F595 D730 M735Y575-H733 AromaticContact CD1-CD2 3.84Å; Y575-H733 HydrophobicContact CD2-CB 3.87Å; Y575-H733 AromaticContact CD2-CD2 3.91Å; Y575-H733 WeakPolarHBondContact CD2-O 3.22Å; Y575-H733 AromaticContact CE1-CD2 3.89Å; Y575-H733 AromaticContact CE2-CD2 3.94Å; Y575-H733 HydrophobicContact CG-CB 3.97Å; Y575-H733 AromaticContact CG-CD2 3.86Å; Y575-H733 AromaticContact CZ-CD2 3.95Å; F595-H733 HydrophobicContact CE1-CB 4.27Å; F595-H733 AromaticContact CE1-CD2 3.74Å; F595-H733 AromaticContact CE1-CG 3.78Å; F595-H733 AromaticContact CZ-CD2 3.36Å; F595-H733 WeakPolarHBondContact CZ-CD2 3.45Å; F595-H733 AromaticContact CZ-CG 3.84Å; F595-H733 AromaticContact CZ-NE2 3.48Å; F595-H733 WeakPolarHBondContact CZ-NE2 3.28Å; D730-H733 VanDerWaalsContact CG-ND1 3.32Å; D730-H733 IonicContact OD1-CG 3.18Å; D730-H733 PolarHBondContact OD1-N 3.47Å; D730-H733 IonicContact OD1-ND1 2.92Å; D730-H733 PolarHBondContact OD1-ND1 3.1Å; D730-H733 IonicContact OD2-CE1 3.89Å; D730-H733 IonicContact OD2-CG 2.7Å; D730-H733 IonicContact OD2-ND1 3.12Å; D730-H733 PolarHBondContact OD2-ND1 2.8Å; H733-M735 HydrophobicContact CB-CG 3.98Å; H733-M735 HydrophobicContact CB-SD 3.92Å
734R96.1Very high91.6Very high76 Ų7668 Ų6829%0.28732%0.316SS..THydrogen-bonded Turntrans57.355.7177.5-61.8170.435152.92.4113F498 E499 N531 D730 E732F498-R734 HydrophobicContact CB-CB 4.5Å; F498-R734 HydrophobicContact CD1-CB 3.84Å; F498-R734 HydrophobicContact CD1-CG 3.89Å; F498-R734 VanDerWaalsContact CD2-C 3.5Å; F498-R734 HydrophobicContact CD2-CB 3.97Å; F498-R734 WeakPolarHBondContact CD2-O 3.38Å; F498-R734 HydrophobicContact CE1-CB 3.98Å; F498-R734 HydrophobicContact CE1-CG 3.87Å; F498-R734 VanDerWaalsContact CE2-C 3.41Å; F498-R734 HydrophobicContact CE2-CB 4.1Å; F498-R734 HydrophobicContact CG-CB 3.84Å; F498-R734 HydrophobicContact CG-CG 4.39Å; F498-R734 HydrophobicContact CZ-CB 4.11Å; F498-R734 HydrophobicContact CZ-CG 4.35Å; E499-R734 IonicContact OE1-CZ 3.92Å; E499-R734 IonicContact OE1-NH1 3.86Å; E499-R734 PolarHBondContact OE1-NH1 2.82Å; E499-R734 IonicContact OE1-NH2 3.75Å; E499-R734 PolarHBondContact OE1-NH2 3.5Å; E499-R734 IonicContact OE2-CZ 2.83Å; E499-R734 IonicContact OE2-NH2 3.7Å; E499-R734 PolarHBondContact OE2-NH2 2.78Å; N531-R734 PolarHBondContact ND2-O 3.37Å; D730-R734 CarbonylContact O-C 3.53Å; D730-R734 WeakPolarHBondContact O-CA 3.44Å; D730-R734 PolarHBondContact O-N 2.98Å; E732-R734 VanDerWaalsContact C-N 3.33Å
735M94.4Very high91.2Very high12 Ų1263.9 Ų63.96%0.05930%0.296CS..EExtended strand (participates in β ladder)trans-152.3164.8-176.359.8-171.6-70.600112.2N531 F595 E596 D730 H733N531-M735 HydrophobicContact CB-CB 4.38Å; F595-M735 HydrophobicContact CD1-SD 4.16Å; F595-M735 HydrophobicContact CE1-SD 4.43Å; E596-M735 HydrophobicContact CG-CE 3.81Å; E596-M735 WeakPolarHBondContact OE1-CE 3.36Å; D730-M735 HydrophobicContact CB-CG 4.27Å; D730-M735 PolarHBondContact N-O 3.46Å; D730-M735 PolarHBondContact O-N 3.43Å; H733-M735 HydrophobicContact CB-CG 3.98Å; H733-M735 HydrophobicContact CB-SD 3.92Å
736P93.3Very high90.8Very high15 Ų1565.5 Ų65.510%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-71.2148.6169.7-9.427.2000110.5P533 D728 Q739P533-P736 HydrophobicContact CG-CB 4.48Å; P533-P736 HydrophobicContact CG-CG 4.32Å; D728-P736 WeakPolarHBondContact O-CA 3.34Å; P736-Q739 HydrophobicContact CB-CG 4.09Å; P736-Q739 HydrophobicContact CG-CG 4.16Å
737R88.3Confident90.4Very high156 Ų15661.9 Ų61.959%0.58929%0.289SS*.SBendtrans-72.4-31.4175.4-67179.2-174.5-71.9-14.3113.2K727 D728 T729K727-R737 PolarHBondContact O-NE 3.44Å; D728-R737 WeakPolarHBondContact O-CG 3.48Å; D728-R737 PolarHBondContact O-N 2.92Å; T729-R737 PolarHBondContact O-NE 3.45Å; T729-R737 PolarHBondContact O-NH2 2.98Å
738E84.6Confident90.3Very high176 Ų17654.6 Ų54.682%0.82226%0.258SS*.  trans-120135.1177.8-65.3-171.4175.900110.2
739Q85.8Confident90.2Very high24 Ų2453.6 Ų53.611%0.11225%0.249CC..  trans-143.3128.6-178.6-60.5-176.1-82.500111.6N530 C576 P736 W741 L742N530-Q739 PolarHBondContact O-NE2 3.41Å; C576-Q739 PolarHBondContact SG-NE2 2.81Å; P736-Q739 HydrophobicContact CB-CG 4.09Å; P736-Q739 HydrophobicContact CG-CG 4.16Å; Q739-W741 VanDerWaalsContact C-N 3.25Å; Q739-W741 VanDerWaalsContact CD-NE1 3.33Å; Q739-W741 PolarHBondContact O-N 3.2Å; Q739-L742 HydrophobicContact CB-CD1 4.35Å; Q739-L742 HydrophobicContact CB-CG 4.38Å; Q739-L742 PolarHBondContact O-N 3.01Å
740W86.5Confident89.8Confident66 Ų6653.8 Ų53.825%0.2525%0.25CC..G310 helixtrans-59.2-32.8-173.668.2-93.8000113.9N341 D536 F537 Y578 L742 S743 L744N341-W740 HydrophobicContact CB-CE3 4.22Å; N341-W740 HydrophobicContact CB-CZ3 4.39Å; D536-W740 PolarHBondContact O-NE1 3.49Å; F537-W740 HydrophobicContact CD1-CZ2 4.32Å; F537-W740 HydrophobicContact CE1-CH2 4.14Å; F537-W740 AromaticContact CE1-CZ2 3.52Å; F537-W740 HydrophobicContact CE1-CZ2 3.52Å; F537-W740 HydrophobicContact CZ-CH2 4.14Å; F537-W740 AromaticContact CZ-CZ2 3.72Å; F537-W740 HydrophobicContact CZ-CZ2 3.72Å; Y578-W740 AromaticContact CE2-CZ2 3.92Å; Y578-W740 HydrophobicContact CE2-CZ2 3.92Å; W740-L742 VanDerWaalsContact C-N 3.28Å; W740-L742 PolarHBondContact O-N 2.98Å; W740-S743 PolarHBondContact O-N 2.81Å; W740-S743 PolarHBondContact O-OG 3.14Å; W740-L744 HydrophobicContact CH2-CD1 4.2Å; W740-L744 HydrophobicContact CZ3-CD1 3.81Å; W740-L744 HydrophobicContact CZ3-CG 4.35Å
741W89.9Confident89.5Confident1 Ų152.7 Ų52.70%0.00424%0.244CC..G310 helixtrans-74.7-13.6-172.461.8-98.9000113.6Y578 T581 E596 Q739 S743 L744Y578-W741 HydrophobicContact CD2-CB 4.04Å; Y578-W741 AromaticContact CD2-CD1 3.49Å; Y578-W741 VanDerWaalsContact CD2-CD1 3.49Å; Y578-W741 HydrophobicContact CD2-CD2 4.15Å; Y578-W741 AromaticContact CD2-CG 3.63Å; Y578-W741 HydrophobicContact CD2-CG 3.63Å; Y578-W741 AromaticContact CD2-NE1 3.91Å; Y578-W741 HydrophobicContact CE2-CB 4.38Å; Y578-W741 HydrophobicContact CE2-CG 4.4Å; Y578-W741 VanDerWaalsContact N-CZ2 3.33Å; T581-W741 HydrophobicContact CG2-CE3 3.98Å; T581-W741 HydrophobicContact CG2-CZ3 4.23Å; T581-W741 VanDerWaalsContact OG1-CZ3 3.26Å; T581-W741 WeakPolarHBondContact OG1-CZ3 3.32Å; E596-W741 HydrophobicContact CG-CH2 4.3Å; E596-W741 VanDerWaalsContact OE1-CH2 3.26Å; E596-W741 WeakPolarHBondContact OE1-CH2 3.02Å; E596-W741 VanDerWaalsContact OE1-CZ2 3.25Å; E596-W741 WeakPolarHBondContact OE1-CZ2 3.43Å; Q739-W741 VanDerWaalsContact C-N 3.25Å; Q739-W741 VanDerWaalsContact CD-NE1 3.33Å; Q739-W741 PolarHBondContact O-N 3.2Å; W741-S743 PolarHBondContact O-N 3.32Å; W741-L744 HydrophobicContact CB-CD1 4.27Å; W741-L744 VanDerWaalsContact O-CB 3.27Å; W741-L744 WeakPolarHBondContact O-CB 3.21Å; W741-L744 WeakPolarHBondContact O-CG 3.37Å; W741-L744 PolarHBondContact O-N 3.32Å
742L87.8Confident89.2Confident61 Ų6149.4 Ų49.432%0.31923%0.23SC..G310 helixtrans-58.2-30.9174.9-67.7170.4000111.9E596 Q739 W740 L744 R745E596-L742 HydrophobicContact CB-CD2 3.6Å; E596-L742 HydrophobicContact CG-CD2 4.1Å; Q739-L742 HydrophobicContact CB-CD1 4.35Å; Q739-L742 HydrophobicContact CB-CG 4.38Å; Q739-L742 PolarHBondContact O-N 3.01Å; W740-L742 VanDerWaalsContact C-N 3.28Å; W740-L742 PolarHBondContact O-N 2.98Å; L742-L744 PolarHBondContact O-N 3.36Å; L742-R745 WeakPolarHBondContact O-CB 3.24Å; L742-R745 VanDerWaalsContact O-CG 3.29Å; L742-R745 WeakPolarHBondContact O-CG 3.35Å; L742-R745 PolarHBondContact O-N 3.01Å
743S82.5Confident88.7Confident75 Ų7546.3 Ų46.352%0.52422%0.216SC..G310 helixtrans-57.7-31.6172.561.90000113.7W740 W741 R745W740-S743 PolarHBondContact O-N 2.81Å; W740-S743 PolarHBondContact O-OG 3.14Å; W741-S743 PolarHBondContact O-N 3.32Å; S743-R745 PolarHBondContact O-N 3.04Å
744L86.9Confident88Confident5 Ų545.5 Ų45.53%0.02621%0.211CC..Hα-helixtrans-71.9-13.5-178.6-54179.5000113.2K315 V582 I585 W740 W741 L742 L746 M747 L748K315-L744 HydrophobicContact CD-CD2 4.4Å; V582-L744 HydrophobicContact CG2-CD1 4.42Å; I585-L744 HydrophobicContact CD1-CB 3.58Å; I585-L744 HydrophobicContact CD1-CD1 4.31Å; W740-L744 HydrophobicContact CH2-CD1 4.2Å; W740-L744 HydrophobicContact CZ3-CD1 3.81Å; W740-L744 HydrophobicContact CZ3-CG 4.35Å; W741-L744 HydrophobicContact CB-CD1 4.27Å; W741-L744 VanDerWaalsContact O-CB 3.27Å; W741-L744 WeakPolarHBondContact O-CB 3.21Å; W741-L744 WeakPolarHBondContact O-CG 3.37Å; W741-L744 PolarHBondContact O-N 3.32Å; L742-L744 PolarHBondContact O-N 3.36Å; L744-L746 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 3.37Å; L744-M747 HydrophobicContact CD2-CE 4.08Å; L744-M747 WeakPolarHBondContact O-CB 3.34Å; L744-M747 PolarHBondContact O-N 3.47Å; L744-L748 PolarHBondContact O-N 3.42Å; L744-L748 VanDerWaalsContact O-N 3.17Å
745R87.4Confident86.6Confident20 Ų2052.1 Ų52.18%0.07524%0.236CC..Hα-helixtrans-69.5-31.6-176.7-61.6-171.767.2-173.40.9113.1T581 V594 E596 D597 L742 S743 L748 K749T581-R745 HydrophobicContact CG2-CG 3.7Å; V594-R745 VanDerWaalsContact CG2-NH1 3.31Å; V594-R745 VanDerWaalsContact CG2-NH2 3.32Å; E596-R745 PolarHBondContact O-NH1 2.67Å; D597-R745 VanDerWaalsContact CB-NH1 3.33Å; D597-R745 VanDerWaalsContact CG-NH1 3.28Å; D597-R745 IonicContact OD1-CZ 2.71Å; D597-R745 IonicContact OD1-NH1 3.39Å; D597-R745 IonicContact OD2-CZ 3.93Å; D597-R745 IonicContact OD2-NE 3.35Å; D597-R745 IonicContact OD2-NH1 3.98Å; D597-R745 IonicContact OD2-NH2 3.94Å; D597-R745 PolarHBondContact OD2-NH2 3.4Å; L742-R745 WeakPolarHBondContact O-CB 3.24Å; L742-R745 VanDerWaalsContact O-CG 3.29Å; L742-R745 WeakPolarHBondContact O-CG 3.35Å; L742-R745 PolarHBondContact O-N 3.01Å; S743-R745 PolarHBondContact O-N 3.04Å; R745-L748 PolarHBondContact O-N 3.29Å; R745-K749 PolarHBondContact O-N 3.12Å
746L85.6Confident85.2Confident40 Ų4053.3 Ų53.321%0.20924%0.242CC..Hα-helixtrans-61.5-46.3171.6-65.5174000110.3L744 L748 K749 M750 I756 A760L744-L746 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 3.37Å; L746-L748 PolarHBondContact O-N 2.93Å; L746-K749 PolarHBondContact O-N 2.92Å; L746-M750 HydrophobicContact CB-SD 4.46Å; L746-M750 WeakPolarHBondContact O-CB 3.39Å; L746-M750 WeakPolarHBondContact O-CG 3.32Å; L746-M750 PolarHBondContact O-N 3.47Å; L746-I756 HydrophobicContact CD2-CG2 4.07Å; L746-A760 HydrophobicContact CD1-CB 4.03Å
747M87.9Confident83.2Confident15 Ų1554.6 Ų54.67%0.07425%0.252CS..Hα-helixtrans-56.7-44.6175.7156.9-173.4-35.500112.7K315 M318 I585 L744 M750 L751K315-M747 HydrophobicContact CB-CE 3.65Å; K315-M747 HydrophobicContact CB-SD 4.31Å; K315-M747 HydrophobicContact CD-CE 4.35Å; K315-M747 HydrophobicContact CG-CE 3.78Å; M318-M747 HydrophobicContact CE-CB 4.26Å; M318-M747 HydrophobicContact SD-CB 3.7Å; M318-M747 HydrophobicContact SD-CE 4.39Å; M318-M747 HydrophobicContact SD-CG 3.53Å; M318-M747 VanDerWaalsContact SD-CG 3.53Å; M318-M747 HydrophobicContact SD-SD 4.48Å; I585-M747 HydrophobicContact CD1-SD 4.2Å; I585-M747 HydrophobicContact CG2-SD 4.01Å; L744-M747 HydrophobicContact CD2-CE 4.08Å; L744-M747 WeakPolarHBondContact O-CB 3.34Å; L744-M747 PolarHBondContact O-N 3.47Å; M747-M750 PolarHBondContact O-N 3Å; M747-L751 HydrophobicContact CG-CD1 3.82Å; M747-L751 HydrophobicContact CG-CG 4.47Å; M747-L751 WeakPolarHBondContact O-CB 3.43Å; M747-L751 WeakPolarHBondContact O-CG 3.47Å; M747-L751 PolarHBondContact O-N 3.45Å
748L89.8Confident81.5Confident11 Ų1148.4 Ų48.46%0.05823%0.23CC..Hα-helixtrans-57.6-53.1176.3-172.6157.9000110.9I585 A592 L744 R745 L746 M750 A752I585-L748 HydrophobicContact CG1-CB 3.93Å; I585-L748 HydrophobicContact CG1-CD1 4.24Å; I585-L748 HydrophobicContact CG1-CG 4.38Å; A592-L748 HydrophobicContact CB-CD1 3.69Å; L744-L748 PolarHBondContact O-N 3.42Å; L744-L748 VanDerWaalsContact O-N 3.17Å; R745-L748 PolarHBondContact O-N 3.29Å; L746-L748 PolarHBondContact O-N 2.93Å; L748-M750 PolarHBondContact O-N 3.33Å; L748-A752 VanDerWaalsContact O-CB 3.31Å; L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 2.79Å; L748-A752 VanDerWaalsContact O-N 3.09Å
749K88.1Confident79.8Confident69 Ų6944.2 Ų44.230%0.323%0.225SC..Hα-helixtrans-65.5-38.6-178.4-68.3179.2-176175.70112D597 R745 L746 A752 Q753 Y754 I756D597-K749 IonicContact OD1-NZ 2.68Å; D597-K749 WeakPolarHBondContact OD2-CE 3.4Å; D597-K749 IonicContact OD2-NZ 3.06Å; D597-K749 PolarHBondContact OD2-NZ 3.31Å; R745-K749 PolarHBondContact O-N 3.12Å; L746-K749 PolarHBondContact O-N 2.92Å; K749-A752 CarbonylContact O-C 3.55Å; K749-A752 PolarHBondContact O-N 3.08Å; K749-Q753 PolarHBondContact O-N 2.73Å; K749-Y754 HydrophobicContact CB-CD2 4.39Å; K749-Y754 WeakPolarHBondContact O-CD2 3.37Å; K749-Y754 PolarHBondContact O-N 3.38Å; K749-I756 HydrophobicContact CB-CD1 3.27Å; K749-I756 HydrophobicContact CB-CG1 4.22Å; K749-I756 HydrophobicContact CD-CD1 4.21Å; K749-I756 HydrophobicContact CG-CD1 4.36Å
750M88.1Confident78Confident7 Ų746.5 Ų46.53%0.03425%0.249CC..Hα-helixtrans-66.6-48.5176.8-70168.273.500112.1M40 Y43 M318 L746 M747 L748 A752 Q753 I756 M758M40-M750 HydrophobicContact CE-CE 3.51Å; M40-M750 HydrophobicContact SD-CE 3.57Å; M40-M750 VanDerWaalsContact SD-CE 3.57Å; Y43-M750 HydrophobicContact CD1-CE 4.08Å; Y43-M750 HydrophobicContact CE1-CE 3.94Å; Y43-M750 HydrophobicContact CE1-CG 4.11Å; M318-M750 HydrophobicContact CE-CB 4.29Å; M318-M750 HydrophobicContact CE-CE 3.71Å; M318-M750 HydrophobicContact CE-SD 3.81Å; L746-M750 HydrophobicContact CB-SD 4.46Å; L746-M750 WeakPolarHBondContact O-CB 3.39Å; L746-M750 WeakPolarHBondContact O-CG 3.32Å; L746-M750 PolarHBondContact O-N 3.47Å; M747-M750 PolarHBondContact O-N 3Å; L748-M750 PolarHBondContact O-N 3.33Å; M750-A752 PolarHBondContact O-N 2.9Å; M750-A752 VanDerWaalsContact O-N 3.15Å; M750-Q753 PolarHBondContact O-N 3.16Å; M750-I756 HydrophobicContact CG-CD1 3.83Å; M750-M758 HydrophobicContact CE-CE 3.63Å; M750-M758 HydrophobicContact CE-SD 3.65Å; M750-M758 HydrophobicContact SD-CE 4.49Å; M750-M758 HydrophobicContact SD-SD 4.42Å
751L90.9Very high76.6Confident7 Ų746.1 Ų46.14%0.03725%0.247CC..Hα-helixtrans-69.6-7.7176.6-65.1177.3000113.3A36 R39 W70 M318 M747A36-L751 HydrophobicContact CB-CD2 4.34Å; R39-L751 HydrophobicContact CB-CD2 3.83Å; R39-L751 WeakPolarHBondContact CD-O 3.41Å; R39-L751 PolarHBondContact NH1-O 3.02Å; W70-L751 VanDerWaalsContact CZ2-O 3.3Å; W70-L751 WeakPolarHBondContact CZ2-O 3.38Å; M318-L751 HydrophobicContact CG-CD1 4.41Å; M318-L751 HydrophobicContact CG-CD2 4.02Å; M318-L751 HydrophobicContact CG-CG 4.38Å; M318-L751 HydrophobicContact SD-CD1 3.86Å; M318-L751 HydrophobicContact SD-CD2 4.01Å; M318-L751 HydrophobicContact SD-CG 3.75Å; M747-L751 HydrophobicContact CG-CD1 3.82Å; M747-L751 HydrophobicContact CG-CG 4.47Å; M747-L751 WeakPolarHBondContact O-CB 3.43Å; M747-L751 WeakPolarHBondContact O-CG 3.47Å; M747-L751 PolarHBondContact O-N 3.45Å
752A88.3Confident75Confident5 Ų552.4 Ų52.44%0.04129%0.286CS..THydrogen-bonded Turntrans-103.37169.500000113.8H610 L748 K749 M750 Y754H610-A752 PolarHBondContact CE1-O 3.22Å; H610-A752 PolarHBondContact NE2-O 3.42Å; L748-A752 VanDerWaalsContact O-CB 3.31Å; L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 2.79Å; L748-A752 VanDerWaalsContact O-N 3.09Å; K749-A752 CarbonylContact O-C 3.55Å; K749-A752 PolarHBondContact O-N 3.08Å; M750-A752 PolarHBondContact O-N 2.9Å; M750-A752 VanDerWaalsContact O-N 3.15Å; A752-Y754 HydrophobicContact CB-CD2 3.84Å; A752-Y754 HydrophobicContact CB-CE2 3.72Å
753Q85.3Confident73.5Confident94 Ų9451.8 Ų51.844%0.43929%0.286SS..THydrogen-bonded Turntrans72.820.3174.4-145.4-179.7-5.500116.7W70 K749 M750W70-Q753 HydrophobicContact CE3-CG 4.45Å; W70-Q753 HydrophobicContact CH2-CB 3.76Å; W70-Q753 HydrophobicContact CH2-CG 3.98Å; W70-Q753 HydrophobicContact CZ2-CB 3.53Å; W70-Q753 HydrophobicContact CZ2-CG 4.07Å; W70-Q753 HydrophobicContact CZ3-CB 4.44Å; W70-Q753 HydrophobicContact CZ3-CG 4.16Å; K749-Q753 PolarHBondContact O-N 2.73Å; M750-Q753 PolarHBondContact O-N 3.16Å
754Y80Confident72.3Confident21 Ų2149 Ų498%0.08227%0.269CS..  trans-72.8150.6175.1-70.3-95.6000112.3Y43 D590 N607 H610 K749 A752Y43-Y754 VanDerWaalsContact CE2-O 3.24Å; Y43-Y754 WeakPolarHBondContact CE2-O 3.22Å; Y43-Y754 PolarHBondContact OH-O 2.78Å; D590-Y754 WeakPolarHBondContact O-CE2 3.42Å; D590-Y754 VanDerWaalsContact O-CZ 3.27Å; D590-Y754 PolarHBondContact O-OH 2.67Å; N607-Y754 WeakPolarHBondContact OD1-CE1 3.31Å; H610-Y754 HydrophobicContact CB-CE1 3.99Å; H610-Y754 AromaticContact CD2-CE1 3.69Å; H610-Y754 AromaticContact CD2-CE2 3.57Å; H610-Y754 AromaticContact CD2-CZ 3.28Å; H610-Y754 PolarHBondContact CD2-OH 2.83Å; H610-Y754 AromaticContact CG-CE1 3.83Å; H610-Y754 AromaticContact CG-CZ 3.91Å; H610-Y754 AromaticContact NE2-CD2 3.98Å; H610-Y754 AromaticContact NE2-CE2 3.63Å; H610-Y754 AromaticContact NE2-CZ 3.84Å; K749-Y754 HydrophobicContact CB-CD2 4.39Å; K749-Y754 WeakPolarHBondContact O-CD2 3.37Å; K749-Y754 PolarHBondContact O-N 3.38Å; A752-Y754 HydrophobicContact CB-CD2 3.84Å; A752-Y754 HydrophobicContact CB-CE2 3.72Å
755R67.4Low71.2Confident215 Ų21556.5 Ų56.581%0.81130%0.304SS*.  trans-82.7118.1172.3-57.8-178.3-174.3-164.92.6108.9
756I65.1Low70Confident36 Ų3658.6 Ų58.619%0.18532%0.317CS..  trans-138.6145.3-177-33.3169.7000109.2L6 L746 K749 M750L6-I756 WeakPolarHBondContact CD1-O 3.38Å; L6-I756 VanDerWaalsContact CG-O 3.24Å; L6-I756 WeakPolarHBondContact CG-O 2.84Å; L746-I756 HydrophobicContact CD2-CG2 4.07Å; K749-I756 HydrophobicContact CB-CD1 3.27Å; K749-I756 HydrophobicContact CB-CG1 4.22Å; K749-I756 HydrophobicContact CD-CD1 4.21Å; K749-I756 HydrophobicContact CG-CD1 4.36Å; M750-I756 HydrophobicContact CG-CD1 3.83Å
757S51.9Low69.5Low42 Ų4261.5 Ų61.529%0.29433%0.329SS..  trans-74.4132.5167.7-171.60000110.6
758M52.8Low68.8Low27 Ų2766.5 Ų66.513%0.13335%0.352CS..  trans-94.69.6-171.3-159.4146.3168.500113.7L9 M40 M322 M750 A760 Y761L9-M758 HydrophobicContact CD1-CB 4.45Å; L9-M758 HydrophobicContact CD1-CE 3.89Å; L9-M758 HydrophobicContact CD1-CG 4.04Å; L9-M758 HydrophobicContact CD1-SD 3.6Å; L9-M758 VanDerWaalsContact CD1-SD 3.6Å; L9-M758 HydrophobicContact CD2-CE 4.06Å; L9-M758 HydrophobicContact CD2-SD 3.47Å; L9-M758 WeakPolarHBondContact CD2-SD 3.39Å; L9-M758 HydrophobicContact CG-SD 4.13Å; M40-M758 HydrophobicContact CE-CE 4.08Å; M322-M758 HydrophobicContact CE-CE 4.39Å; M322-M758 HydrophobicContact SD-CE 4.22Å; M750-M758 HydrophobicContact CE-CE 3.63Å; M750-M758 HydrophobicContact CE-SD 3.65Å; M750-M758 HydrophobicContact SD-CE 4.49Å; M750-M758 HydrophobicContact SD-SD 4.42Å; M758-A760 PolarHBondContact O-N 2.84Å; M758-Y761 HydrophobicContact CE-CD1 3.59Å; M758-Y761 HydrophobicContact CE-CD2 3.83Å; M758-Y761 HydrophobicContact CE-CE1 4.18Å; M758-Y761 HydrophobicContact CE-CE2 4.37Å; M758-Y761 HydrophobicContact CE-CG 3.4Å; M758-Y761 VanDerWaalsContact CE-CG 3.4Å; M758-Y761 HydrophobicContact CG-CG 4.35Å; M758-Y761 PolarHBondContact O-N 2.94Å
759A47Very low67.6Low87 Ų8766.6 Ų66.672%0.71935%0.353SS*.THydrogen-bonded Turntrans-60.7-5179.200000115.4
760A48Very low66.5Low73 Ų7366.2 Ų66.260%0.60336%0.357SS*.THydrogen-bonded Turntrans-115.33.9175.800000113.8L746 M758L746-A760 HydrophobicContact CD1-CB 4.03Å; M758-A760 PolarHBondContact O-N 2.84Å
761Y57.3Low65Low58 Ų5872 Ų7223%0.22738%0.378CS..  trans-84.9125.1170.1-170.8-88.7000109.6M318 E319 M322 M758M318-Y761 HydrophobicContact CE-CE2 4.39Å; E319-Y761 PolarHBondContact OE2-OH 3.28Å; M322-Y761 HydrophobicContact CG-CE1 4.04Å; M758-Y761 HydrophobicContact CE-CD1 3.59Å; M758-Y761 HydrophobicContact CE-CD2 3.83Å; M758-Y761 HydrophobicContact CE-CE1 4.18Å; M758-Y761 HydrophobicContact CE-CE2 4.37Å; M758-Y761 HydrophobicContact CE-CG 3.4Å; M758-Y761 VanDerWaalsContact CE-CG 3.4Å; M758-Y761 HydrophobicContact CG-CG 4.35Å; M758-Y761 PolarHBondContact O-N 2.94Å
762V57.1Low62.9Low133 Ų13380.1 Ų80.181%0.80641%0.408SS*.  trans-107.5113.7173.9-176.70000107.1
763S56.8Low61.4Low47 Ų4783 Ų8333%0.32943%0.425SS..PPolyproline II helixtrans-71154.2171.839.10000111
764G57.7Low59.8Low17 Ų1779.7 Ų79.718%0.17541%0.411CS..PPolyproline II helixtrans-77.3137173.800000111.5E319 R345E319-G764 PolarHBondContact OE1-N 3.29Å; R345-G764 VanDerWaalsContact CD-O 3.29Å; R345-G764 WeakPolarHBondContact CD-O 3.5Å; R345-G764 PolarHBondContact NE-O 2.79Å; R345-G764 PolarHBondContact NH1-O 3.2Å
765E63.3Low58.1Low162 Ų16282.9 Ų82.976%0.75744%0.436SS*.PPolyproline II helixtrans-76.9166168-65.5-173.3172.900111
766L61.1Low56.7Low65 Ų6578.7 Ų78.734%0.3443%0.427SS..BIsolated β-bridgetrans-83.2114.5175.1-17090000109.4P332 C334 R345 P347P332-L766 HydrophobicContact CG-CD2 3.87Å; C334-L766 HydrophobicContact CB-CD1 3.98Å; R345-L766 HydrophobicContact CB-CD1 4.23Å; R345-L766 CarbonylContact O-C 3.53Å; R345-L766 WeakPolarHBondContact O-CA 3.46Å; P347-L766 HydrophobicContact CG-CD2 4.22Å; P347-L766 HydrophobicContact CG-CG 4.36Å
767E75.3Confident55.9Low100 Ų10079.1 Ų79.147%0.46743%0.43SS..  trans-105.7133.8-179.9-65179.1-167.600111R345 L346 P347R345-E767 PolarHBondContact O-N 3.28Å; L346-E767 HydrophobicContact CD2-CB 3.85Å; L346-E767 WeakPolarHBondContact CD2-O 3.46Å; P347-E767 WeakPolarHBondContact CD-O 3.35Å
768H74.8Confident55.2Low120 Ų12085.9 Ų85.956%0.55645%0.454SS*.  trans-79.5140.4177.2-74.7-78.4000112.6E350E350-H768 IonicContact OE1-CE1 2.74Å; E350-H768 IonicContact OE1-CG 3.17Å; E350-H768 IonicContact OE1-ND1 2.79Å; E350-H768 PolarHBondContact OE1-ND1 3.47Å; E350-H768 WeakPolarHBondContact OE2-CA 3.2Å; E350-H768 IonicContact OE2-CG 3.16Å; E350-H768 IonicContact OE2-ND1 2.78Å; E350-H768 PolarHBondContact OE2-ND1 3.16Å
769V64.6Low54.5Low13 Ų1385.1 Ų85.18%0.07945%0.453CS..  trans-98.4125.3177.8-157.90000109.7L346 E350 M354L346-V769 HydrophobicContact CB-CG2 3.82Å; L346-V769 HydrophobicContact CD1-CG2 3.78Å; L346-V769 HydrophobicContact CD2-CG2 4Å; L346-V769 HydrophobicContact CG-CG2 4.07Å; E350-V769 HydrophobicContact CB-CB 4.25Å; E350-V769 HydrophobicContact CB-CG2 4.5Å; E350-V769 PolarHBondContact OE2-N 2.88Å; M354-V769 HydrophobicContact CE-CG1 3.78Å; M354-V769 HydrophobicContact SD-CB 3.89Å; M354-V769 HydrophobicContact SD-CG1 3.5Å; M354-V769 VanDerWaalsContact SD-CG1 3.5Å
770T63.2Low54.1Low61 Ų6182.7 Ų82.737%0.37443%0.427SS..  trans-137.5160179.466.70000110R772 T773 L774T770-R772 PolarHBondContact O-N 3.46Å; T770-R772 PolarHBondContact OG1-N 2.94Å; T770-T773 PolarHBondContact N-OG1 3.3Å; T770-T773 PolarHBondContact O-N 3.18Å; T770-T773 PolarHBondContact O-OG1 3.42Å; T770-T773 VanDerWaalsContact O-OG1 3.05Å; T770-T773 PolarHBondContact OG1-N 2.96Å; T770-T773 PolarHBondContact OG1-OG1 3.22Å; T770-L774 PolarHBondContact O-N 3.3Å; T770-L774 VanDerWaalsContact O-N 3.16Å
771R56.5Low54.4Low129 Ų12983.2 Ų83.249%0.48742%0.418SS..Hα-helixtrans-52.5-28.9169.1-69.5179.6171-131.8-6.9112.5E357 E369 L373 S775E357-R771 IonicContact OE2-CZ 3.23Å; E357-R771 VanDerWaalsContact OE2-CZ 3.31Å; E357-R771 IonicContact OE2-NE 2.67Å; E357-R771 PolarHBondContact OE2-NE 2.92Å; E357-R771 VanDerWaalsContact OE2-NE 3.07Å; E357-R771 IonicContact OE2-NH2 3.94Å; E357-R771 PolarHBondContact OE2-NH2 3.06Å; E369-R771 IonicContact OE1-CZ 3.29Å; E369-R771 IonicContact OE1-NH1 3.14Å; E369-R771 PolarHBondContact OE1-NH1 3.06Å; E369-R771 IonicContact OE1-NH2 3.37Å; E369-R771 PolarHBondContact OE1-NH2 3.34Å; L373-R771 HydrophobicContact CD2-CG 4.4Å; R771-S775 WeakPolarHBondContact O-CB 3.49Å; R771-S775 PolarHBondContact O-N 3.28Å; R771-S775 VanDerWaalsContact O-N 3.1Å; R771-S775 PolarHBondContact O-OG 3.18Å; R771-S775 VanDerWaalsContact O-OG 3.09Å
772R47.7Very low54.3Low177 Ų17784.5 Ų84.567%0.66843%0.428SS*.Hα-helixtrans-77.4-35.2177.4-173175.4179.2177.21.5113T770 S775 M776T770-R772 PolarHBondContact O-N 3.46Å; T770-R772 PolarHBondContact OG1-N 2.94Å; R772-S775 PolarHBondContact O-N 2.83Å; R772-M776 HydrophobicContact CG-CG 4.04Å; R772-M776 HydrophobicContact CG-SD 3.69Å; R772-M776 PolarHBondContact NE-SD 2.88Å; R772-M776 VanDerWaalsContact NE-SD 3.42Å; R772-M776 WeakPolarHBondContact O-CB 3.4Å; R772-M776 VanDerWaalsContact O-CG 3.24Å; R772-M776 WeakPolarHBondContact O-CG 3.4Å; R772-M776 PolarHBondContact O-N 3.43Å
773T55.8Low54.1Low65 Ų6581.8 Ų81.840%0.39941%0.407SS..Hα-helixtrans-71-35.317548.90000111.4T770 D777T770-T773 PolarHBondContact N-OG1 3.3Å; T770-T773 PolarHBondContact O-N 3.18Å; T770-T773 PolarHBondContact O-OG1 3.42Å; T770-T773 VanDerWaalsContact O-OG1 3.05Å; T770-T773 PolarHBondContact OG1-N 2.96Å; T770-T773 PolarHBondContact OG1-OG1 3.22Å; T773-D777 PolarHBondContact O-N 2.98Å
774L53.3Low54Low26 Ų2683.9 Ų83.914%0.13641%0.411CS..Hα-helixtrans-66.5-39.6169.8-71.1-171.6000114M354 L373 T770M354-L774 HydrophobicContact CE-CD1 3.25Å; M354-L774 HydrophobicContact CE-CG 3.68Å; L373-L774 WeakPolarHBondContact O-CD1 3.45Å; T770-L774 PolarHBondContact O-N 3.3Å; T770-L774 VanDerWaalsContact O-N 3.16Å
775S43.1Very low53.7Low88 Ų8888.1 Ų88.162%0.61543%0.426SS*.Hα-helixtrans-85.5-19-17770.80000114.4R771 R772 D777R771-S775 WeakPolarHBondContact O-CB 3.49Å; R771-S775 PolarHBondContact O-N 3.28Å; R771-S775 VanDerWaalsContact O-N 3.1Å; R771-S775 PolarHBondContact O-OG 3.18Å; R771-S775 VanDerWaalsContact O-OG 3.09Å; R772-S775 PolarHBondContact O-N 2.83Å; S775-D777 VanDerWaalsContact C-N 3.33Å
776M39.5Very low53.1Low126 Ų12683.1 Ų83.162%0.62140%0.404SS*.Hα-helixtrans-78.2-17.3169.5-75.8-176.854.800112.9R772 K778R772-M776 HydrophobicContact CG-CG 4.04Å; R772-M776 HydrophobicContact CG-SD 3.69Å; R772-M776 PolarHBondContact NE-SD 2.88Å; R772-M776 VanDerWaalsContact NE-SD 3.42Å; R772-M776 WeakPolarHBondContact O-CB 3.4Å; R772-M776 VanDerWaalsContact O-CG 3.24Å; R772-M776 WeakPolarHBondContact O-CG 3.4Å; R772-M776 PolarHBondContact O-N 3.43Å; M776-K778 PolarHBondContact O-N 3.33Å
777D47Very low52.5Low46 Ų4684.4 Ų84.425%0.24641%0.408CS..  trans-69.378.8168.2-89.5-21.8000110.5K715 T773 S775 G779K715-D777 WeakPolarHBondContact CD-OD1 3.37Å; K715-D777 IonicContact NZ-OD1 2.74Å; K715-D777 PolarHBondContact NZ-OD1 3.3Å; K715-D777 IonicContact NZ-OD2 3.86Å; K715-D777 PolarHBondContact NZ-OD2 2.72Å; T773-D777 PolarHBondContact O-N 2.98Å; S775-D777 VanDerWaalsContact C-N 3.33Å; D777-G779 PolarHBondContact O-N 2.89Å
778K37.9Very low50.8Low184 Ų18483.2 Ų83.280%0.840%0.404SS*.  trans-70.151.1157.7-64.6-172.4178.1-175.70110.3M776 F780M776-K778 PolarHBondContact O-N 3.33Å; K778-F780 PolarHBondContact O-N 3.48Å
779G37.2Very low48.8Very low11 Ų1180.2 Ų80.211%0.11339%0.391CS..  trans-79.9109.9176.900000109.6N380 K715 D777N380-G779 PolarHBondContact ND2-O 3.37Å; K715-G779 WeakPolarHBondContact O-CA 3.23Å; D777-G779 PolarHBondContact O-N 2.89Å
780F39.7Very low47.3Very low36 Ų3686.3 Ų86.316%0.15842%0.42CS..  trans87.10-168.4-98.9-88.2000118.1N380 Y674 K677 L678 K681 L712 V717 K778N380-F780 HydrophobicContact CB-CB 3.86Å; N380-F780 PolarHBondContact ND2-O 3.03Å; N380-F780 PolarHBondContact OD1-O 3.21Å; Y674-F780 HydrophobicContact CD2-CE2 4.37Å; Y674-F780 AromaticContact CD2-CZ 3.75Å; Y674-F780 HydrophobicContact CD2-CZ 3.75Å; Y674-F780 HydrophobicContact CE2-CE2 4.33Å; Y674-F780 AromaticContact CE2-CZ 3.74Å; Y674-F780 HydrophobicContact CE2-CZ 3.74Å; K677-F780 HydrophobicContact CB-CD1 3.81Å; K677-F780 HydrophobicContact CB-CE1 3.27Å; K677-F780 HydrophobicContact CB-CZ 3.93Å; K677-F780 HydrophobicContact CD-CD1 3.77Å; K677-F780 HydrophobicContact CD-CD2 4.12Å; K677-F780 HydrophobicContact CD-CE1 3.57Å; K677-F780 HydrophobicContact CD-CE2 3.91Å; K677-F780 HydrophobicContact CD-CG 4.04Å; K677-F780 HydrophobicContact CD-CZ 3.64Å; K677-F780 HydrophobicContact CG-CD1 4.3Å; K677-F780 HydrophobicContact CG-CE1 4.04Å; K677-F780 HydrophobicContact CG-CZ 4.46Å; L678-F780 HydrophobicContact CD2-CE1 4.42Å; L678-F780 HydrophobicContact CD2-CZ 4.5Å; K681-F780 WeakPolarHBondContact CD-OXT 3.23Å; K681-F780 WeakPolarHBondContact CE-OXT 3.29Å; K681-F780 HydrophobicContact CG-CD1 4.3Å; K681-F780 PolarHBondContact NZ-O 2.72Å; K681-F780 PolarHBondContact NZ-OXT 3.04Å; L712-F780 HydrophobicContact CD1-CE2 4.18Å; V717-F780 HydrophobicContact CG2-CD1 3.47Å; V717-F780 VanDerWaalsContact CG2-CD1 3.47Å; V717-F780 HydrophobicContact CG2-CD2 3.86Å; V717-F780 HydrophobicContact CG2-CE1 3.32Å; V717-F780 HydrophobicContact CG2-CE2 3.74Å; V717-F780 HydrophobicContact CG2-CG 3.73Å; V717-F780 HydrophobicContact CG2-CZ 3.47Å; V717-F780 VanDerWaalsContact CG2-CZ 3.47Å; K778-F780 PolarHBondContact O-N 3.48Å

Retrieved 780 of 780 residues in 232.3 ms (Link to these results)

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