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Isoform Beta of Tripartite motif-containing protein 26 AlphaSync

Canonical isoform description: E3 ubiquitin-protein ligase which regulates the IFN-beta production and antiviral response downstream of various DNA-encoded pattern-recognition receptors (PRRs). Also plays a central role in determining the response to different forms of oxidative stress by controlling levels of DNA glycosylases NEIL1, NEIL3 and NTH1 that are involved in repair of damaged DNA. Promotes nuclear IRF3 ubiquitination and proteasomal degradation. Bridges together TBK1 and NEMO during the innate response to viral infection leading to the activation of TBK1. Positively regulates LPS-mediated inflammatory innate immune response by catalyzing the 'Lys-11'-linked polyubiquitination of TAB1 to enhance its activation and subsequent NF-kappa-B and MAPK signaling1. In a manner independent of its catalytic activity, inhibits WWP2, a SOX2-directed E3 ubiquitin ligase, and thus protects SOX2 from polyubiquitination and proteasomal degradation. Ubiquitinates the histone acetyltransferase protein complex component PHF20 and thereby triggers its degradation in the nucleus after its recruitment by the histone demethylase KDM6B, serving as a scaffold protein. Upon induction by TGF-beta, ubiquitinates the TFIID component TAF7 for proteasomal degradation (By similarity). Induces ferroptosis by ubiquitinating SLC7A11, a critical protein for lipid reactive oxygen species (ROS) scavenging2.

AlphaFold DB , UniProt , Accession Q99PN3-2 (canonical: Q99PN3), Species MOUSE (Mus musculus, Mouse), Gene Trim26, Length 326 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
1M38.9Very low64.5Low219 Ų21982.2 Ų82.2100%1.07949%0.486SS*.  0117.20-66.8-70.2-165.500107.6V3M1-V3 PolarHBondContact O-N 2.73Å; M1-V3 VanDerWaalsContact O-N 3.13Å
2A43.2Very low66Low95 Ų9587.6 Ų87.679%0.78550%0.503SS*.  trans-68.2109.3174.600000108.1S4A2-S4 PolarHBondContact O-N 2.92Å
3V50.9Low67.5Low50 Ų5091.3 Ų91.330%0.30351%0.513SS..  trans-56.3129.6169.7-165.40000106.9M1 L7 R8M1-V3 PolarHBondContact O-N 2.73Å; M1-V3 VanDerWaalsContact O-N 3.13Å; V3-L7 HydrophobicContact CG1-CB 3.58Å; V3-L7 HydrophobicContact CG1-CD1 4.21Å; V3-R8 HydrophobicContact CB-CG 3.89Å; V3-R8 HydrophobicContact CG1-CG 4.16Å
4S56.6Low69.1Low61 Ų6184.8 Ų84.843%0.42748%0.476SS..  trans-56.8144.3-177.360.20000110.2A2 P6 L7 R8A2-S4 PolarHBondContact O-N 2.92Å; S4-P6 VanDerWaalsContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 3.28Å; S4-R8 PolarHBondContact O-N 3.23Å
5A66.3Low70.6Confident80 Ų8082.6 Ų82.666%0.66147%0.466SS*.Hα-helixtrans-49.3-38.4-178.100000114R8 S9A5-R8 PolarHBondContact O-N 2.83Å; A5-S9 PolarHBondContact O-N 3.31Å; A5-S9 PolarHBondContact O-OG 3.4Å
6P68.9Low72.1Confident93 Ų9377.4 Ų77.460%0.60444%0.437SS*.Hα-helixtrans-68.5-32176.2-20.934.1000114.9S4 S9 L10S4-P6 VanDerWaalsContact O-N 3.13Å; P6-S9 WeakPolarHBondContact CA-OG 3.34Å; P6-S9 PolarHBondContact O-OG 3.38Å; P6-L10 PolarHBondContact O-N 2.77Å
7L69.9Low73.3Confident29 Ų2975.9 Ų75.915%0.15243%0.432CS..Hα-helixtrans-73.6-36.2177.6-80.3178.4000111V3 S4 L10 E11 L81V3-L7 HydrophobicContact CG1-CB 3.58Å; V3-L7 HydrophobicContact CG1-CD1 4.21Å; S4-L7 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 3.19Å; L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 VanDerWaalsContact O-CG 3.3Å; L7-E11 WeakPolarHBondContact O-CG 3.33Å; L7-E11 PolarHBondContact O-N 3Å; L7-L81 HydrophobicContact CD2-CD1 4.3Å
8R71.6Confident74.3Confident137 Ų13775.4 Ų75.452%0.51743%0.427SS..Hα-helixtrans-62.1-44.9174.1-71.2-173.7170.2-179.9-3.7112.4V3 S4 A5 L10 E11 E12V3-R8 HydrophobicContact CB-CG 3.89Å; V3-R8 HydrophobicContact CG1-CG 4.16Å; S4-R8 PolarHBondContact O-N 3.23Å; A5-R8 PolarHBondContact O-N 2.83Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 3.29Å; R8-E11 PolarHBondContact O-N 2.87Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.99Å
9S77.2Confident75.3Confident58 Ų5874.7 Ų74.741%0.40643%0.427SS..Hα-helixtrans-61.3-36.9176.351.10000112.1A5 P6 E13A5-S9 PolarHBondContact O-N 3.31Å; A5-S9 PolarHBondContact O-OG 3.4Å; P6-S9 WeakPolarHBondContact CA-OG 3.34Å; P6-S9 PolarHBondContact O-OG 3.38Å; S9-E13 PolarHBondContact O-N 3.21Å
10L81.4Confident76.1Confident51 Ų5177.9 Ų77.927%0.26744%0.442SS..Hα-helixtrans-73.7-36177.5-166.467.7000112.7P6 L7 R8 E12 E13 V14 I78P6-L10 PolarHBondContact O-N 2.77Å; L7-L10 PolarHBondContact O-N 3.19Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 3.29Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E13 PolarHBondContact O-N 3.41Å; L10-V14 PolarHBondContact O-N 2.9Å; L10-I78 HydrophobicContact CD2-CD1 3.95Å; L10-I78 HydrophobicContact CD2-CG1 3.91Å; L10-I78 HydrophobicContact CG-CD1 3.86Å; L10-I78 HydrophobicContact CG-CG1 4.36Å
11E84.4Confident76.8Confident31 Ų3178.6 Ų78.615%0.14544%0.444CS..Hα-helixtrans-61.5-40.5173.9-76.6176.6-152.200111.6L7 R8 E13 V14 T15 Y22 I78 K82L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 VanDerWaalsContact O-CG 3.3Å; L7-E11 WeakPolarHBondContact O-CG 3.33Å; L7-E11 PolarHBondContact O-N 3Å; R8-E11 PolarHBondContact O-N 2.87Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.42Å; E11-V14 WeakPolarHBondContact O-CG2 3.26Å; E11-V14 PolarHBondContact O-N 2.84Å; E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 PolarHBondContact O-N 3.2Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E11-Y22 HydrophobicContact CB-CE1 4.4Å; E11-Y22 HydrophobicContact CG-CE1 4.21Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; E11-K82 WeakPolarHBondContact OE1-CE 3.26Å; E11-K82 IonicContact OE1-NZ 2.69Å; E11-K82 PolarHBondContact OE1-NZ 3.21Å; E11-K82 IonicContact OE2-NZ 3.61Å; E11-K82 PolarHBondContact OE2-NZ 3.07Å
12E83Confident79.3Confident147 Ų14769.3 Ų69.369%0.68740%0.397SS*.Hα-helixtrans-61.8-38.8175.2-72.4170.9-166.300111.9R8 L10 V14 T15R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.99Å; L10-E12 VanDerWaalsContact C-N 3.32Å; E12-V14 VanDerWaalsContact C-N 3.29Å; E12-V14 PolarHBondContact O-N 2.78Å; E12-T15 PolarHBondContact O-N 2.81Å
13E85.8Confident81.6Confident136 Ų13665 Ų6564%0.63636%0.361SS*.Hα-helixtrans-67.1-26.1177.9-73.1-177.2-162.700113.9S9 L10 E11S9-E13 PolarHBondContact O-N 3.21Å; L10-E13 PolarHBondContact O-N 3.41Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.42Å
14V89.9Confident83.5Confident0 Ų068.6 Ų68.60%037%0.369CS..THydrogen-bonded Turntrans-10511.4179.6-58.80000113.9L10 E11 E12 Y22 L23 L71 L74 V75 I78L10-V14 PolarHBondContact O-N 2.9Å; E11-V14 WeakPolarHBondContact O-CG2 3.26Å; E11-V14 PolarHBondContact O-N 2.84Å; E12-V14 VanDerWaalsContact C-N 3.29Å; E12-V14 PolarHBondContact O-N 2.78Å; V14-Y22 HydrophobicContact CG2-CD1 3.9Å; V14-Y22 HydrophobicContact CG2-CE1 4.03Å; V14-L23 VanDerWaalsContact O-CG 3.28Å; V14-L23 WeakPolarHBondContact O-CG 3.18Å; V14-L23 PolarHBondContact O-N 3.02Å; V14-L71 HydrophobicContact CG1-CD2 4.25Å; V14-L74 HydrophobicContact CG1-CB 3.97Å; V14-V75 HydrophobicContact CB-CG2 3.72Å; V14-V75 HydrophobicContact CG1-CG2 4.29Å; V14-V75 HydrophobicContact CG2-CG2 4.1Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.92Å; V14-I78 HydrophobicContact CG2-CD1 3.43Å; V14-I78 VanDerWaalsContact CG2-CD1 3.43Å
15T91.5Very high85.2Confident52 Ų5269.7 Ų69.732%0.31937%0.37SS..BIsolated β-bridgetrans-94.8130.6179.5-64.80000111.1E11 E12 S17E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 PolarHBondContact O-N 3.2Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E12-T15 PolarHBondContact O-N 2.81Å; T15-S17 PolarHBondContact O-N 3.31Å
16C93.5Very high86.4Confident0 Ų066 Ų660%034%0.339CS..  trans-73.6117.4173.7-176.90000110I18 C19 L20 D21 L23 C36C16-I18 PolarHBondContact O-N 3.43Å; C16-C19 VanDerWaalsContact CB-SG 3.52Å; C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.44Å; C16-L20 PolarHBondContact O-N 3.16Å; C16-D21 WeakPolarHBondContact CB-O 3.12Å; C16-D21 PolarHBondContact N-O 3.01Å; C16-L23 HydrophobicContact CB-CD2 3.84Å; C16-L23 HydrophobicContact CB-CG 4.48Å; C16-C36 VanDerWaalsContact CB-SG 3.57Å; C16-C36 VanDerWaalsContact SG-SG 3.66Å
17S92.3Very high87.6Confident51 Ų5161.6 Ų61.636%0.35731%0.311SS..THydrogen-bonded Turntrans-69.6-0.8178.253.40000115.1T15 F35T15-S17 PolarHBondContact O-N 3.31Å; S17-F35 WeakPolarHBondContact OG-CE1 2.93Å
18I92.1Very high88.8Confident67 Ų6761.8 Ų61.834%0.34431%0.313SS..THydrogen-bonded Turntrans-95.4-54.3174.4-61.5167.8000111C16 F35 C39 I43 P54C16-I18 PolarHBondContact O-N 3.43Å; I18-F35 HydrophobicContact CD1-CB 4.06Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 3.97Å; I18-F35 HydrophobicContact CD1-CG 3.81Å; I18-F35 HydrophobicContact CG1-CD1 3.63Å; I18-F35 HydrophobicContact CG1-CE1 3.97Å; I18-F35 HydrophobicContact CG1-CG 4.48Å; I18-C39 HydrophobicContact CB-CB 3.83Å; I18-C39 HydrophobicContact CD1-CB 3.68Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.81Å; I18-I43 HydrophobicContact CD1-CD1 4.11Å; I18-I43 HydrophobicContact CD1-CG1 4.37Å; I18-P54 HydrophobicContact CD1-CG 4.12Å; I18-P54 HydrophobicContact CG1-CG 4.28Å
19C93.3Very high89.9Confident62 Ų6255.5 Ų55.542%0.41929%0.29SS..THydrogen-bonded Turntrans-92.4-7.5-179.166.50000114C16 D21C16-C19 VanDerWaalsContact CB-SG 3.52Å; C19-D21 PolarHBondContact O-N 3.46Å
20L90.8Very high90.6Very high139 Ų13956.2 Ų56.273%0.72829%0.289SS*.SBendtrans57.332.1-178.4-50.5179.7000113.2C16C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.44Å; C16-L20 PolarHBondContact O-N 3.16Å
21D91.9Very high91.2Very high92 Ų9255.4 Ų55.449%0.49229%0.288SS..SBendtrans-132.1168.4178.7-162.2-1.2000108.9C16 C19C16-D21 WeakPolarHBondContact CB-O 3.12Å; C16-D21 PolarHBondContact N-O 3.01Å; C19-D21 PolarHBondContact O-N 3.46Å
22Y90.8Very high91.7Very high25 Ų2556.3 Ų56.310%0.09831%0.305CS..BIsolated β-bridgetrans-55.3143.6176.8-69.7-29.5000112.3E11 V14 R24 V75 I78 E79 K82E11-Y22 HydrophobicContact CB-CE1 4.4Å; E11-Y22 HydrophobicContact CG-CE1 4.21Å; V14-Y22 HydrophobicContact CG2-CD1 3.9Å; V14-Y22 HydrophobicContact CG2-CE1 4.03Å; Y22-R24 PolarHBondContact O-N 2.89Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; Y22-V75 HydrophobicContact CD2-CG1 4.01Å; Y22-V75 HydrophobicContact CG-CG1 4.06Å; Y22-I78 VanDerWaalsContact OH-CG2 3.3Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.28Å; Y22-E79 HydrophobicContact CD2-CG 4Å; Y22-E79 HydrophobicContact CE2-CG 3.8Å; Y22-K82 WeakPolarHBondContact OH-CE 3.48Å; Y22-K82 PolarHBondContact OH-NZ 3.02Å
23L91Very high92.2Very high5 Ų552.4 Ų52.43%0.02629%0.287CS..  trans-57.9115178.1-71.9164.5000111.2V14 C16 P26 V34 F35 L71 V75V14-L23 VanDerWaalsContact O-CG 3.28Å; V14-L23 WeakPolarHBondContact O-CG 3.18Å; V14-L23 PolarHBondContact O-N 3.02Å; C16-L23 HydrophobicContact CB-CD2 3.84Å; C16-L23 HydrophobicContact CB-CG 4.48Å; L23-P26 HydrophobicContact CB-CB 3.97Å; L23-P26 HydrophobicContact CB-CG 4.38Å; L23-P26 HydrophobicContact CD1-CB 4.16Å; L23-P26 HydrophobicContact CD2-CB 4.39Å; L23-P26 HydrophobicContact CG-CB 4.41Å; L23-V34 HydrophobicContact CD1-CG1 3.95Å; L23-V34 HydrophobicContact CD2-CG1 4.1Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; L23-L71 HydrophobicContact CD1-CB 4.38Å; L23-L71 HydrophobicContact CD1-CD1 4.19Å; L23-V75 HydrophobicContact CB-CG2 4.26Å
24R91.5Very high92.7Very high125 Ų12547.6 Ų47.647%0.47227%0.266SS..SBendtrans-103.3120.7169.1-60.8-58.4-177.2-158.4-5.7108.9Y22 C36 E79Y22-R24 PolarHBondContact O-N 2.89Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; R24-C36 PolarHBondContact N-SG 2.67Å; R24-C36 WeakPolarHBondContact O-CA 3.48Å; R24-C36 VanDerWaalsContact O-CB 3.26Å; R24-C36 WeakPolarHBondContact O-CB 3.18Å; R24-E79 IonicContact CZ-OE1 3.39Å; R24-E79 VanDerWaalsContact CZ-OE1 3.31Å; R24-E79 IonicContact NH1-OE1 3.3Å; R24-E79 PolarHBondContact NH1-OE1 3.15Å; R24-E79 IonicContact NH1-OE2 3.86Å; R24-E79 PolarHBondContact NH1-OE2 2.9Å; R24-E79 IonicContact NH2-OE1 3.81Å; R24-E79 PolarHBondContact NH2-OE1 3.28Å
25D91.2Very high92.9Very high84 Ų8447.6 Ų47.645%0.44927%0.266SS..SBendtrans49.964.2-170.9-171.823.1000111.6V27 R37D25-V27 PolarHBondContact O-N 3.25Å; D25-R37 HydrophobicContact CB-CB 4.16Å; D25-R37 PolarHBondContact O-N 3.05Å; D25-R37 IonicContact OD1-NE 4Å; D25-R37 VanDerWaalsContact OD2-CB 3.25Å; D25-R37 WeakPolarHBondContact OD2-CB 3.49Å; D25-R37 WeakPolarHBondContact OD2-CD 3.36Å; D25-R37 IonicContact OD2-CZ 3.75Å; D25-R37 IonicContact OD2-NE 2.67Å; D25-R37 PolarHBondContact OD2-NE 3.34Å; D25-R37 IonicContact OD2-NH2 3.99Å
26P92.3Very high93.1Very high2 Ų245.2 Ų45.21%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-58.4130-177.318.1-28.7000111.9L23 V34 F35 P67 V68 L71 A72L23-P26 HydrophobicContact CB-CB 3.97Å; L23-P26 HydrophobicContact CB-CG 4.38Å; L23-P26 HydrophobicContact CD1-CB 4.16Å; L23-P26 HydrophobicContact CD2-CB 4.39Å; L23-P26 HydrophobicContact CG-CB 4.41Å; P26-V34 HydrophobicContact CB-CG1 3.73Å; P26-F35 WeakPolarHBondContact CA-O 3.33Å; P26-P67 CarbonylContact O-C 3.58Å; P26-P67 WeakPolarHBondContact O-CA 3.45Å; P26-V68 WeakPolarHBondContact CG-O 3.43Å; P26-V68 PolarHBondContact O-N 3.24Å; P26-L71 HydrophobicContact CB-CB 4.03Å; P26-L71 HydrophobicContact CG-CB 3.89Å; P26-A72 HydrophobicContact CG-CB 3.87Å
27V94.8Very high93.1Very high0 Ų050.2 Ų50.20%027%0.271CS..EExtended strand (participates in β ladder)trans-126.8140.9174-61.80000110.9D25 V34 F35 R37 T40 I65 R66D25-V27 PolarHBondContact O-N 3.25Å; V27-V34 VanDerWaalsContact O-CA 3.29Å; V27-V34 WeakPolarHBondContact O-CA 2.94Å; V27-V34 WeakPolarHBondContact O-CG1 3.28Å; V27-F35 WeakPolarHBondContact CG2-O 3.41Å; V27-F35 PolarHBondContact N-O 3.02Å; V27-F35 PolarHBondContact O-N 3.14Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; V27-T40 HydrophobicContact CG2-CG2 4.3Å; V27-T40 VanDerWaalsContact CG2-OG1 3.27Å; V27-T40 WeakPolarHBondContact CG2-OG1 3.29Å; V27-I65 HydrophobicContact CB-CG2 3.56Å; V27-I65 HydrophobicContact CG1-CG2 3.96Å; V27-I65 HydrophobicContact CG2-CG2 3.67Å; V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.49Å; V27-R66 WeakPolarHBondContact CB-O 3.42Å
28T95.3Very high93.2Very high34 Ų3451.2 Ų51.221%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-96.1146.1171.1-168.40000110.6G32 H33 I65 R66 V68T28-G32 PolarHBondContact OG1-O 2.81Å; T28-G32 VanDerWaalsContact OG1-O 3.12Å; T28-H33 WeakPolarHBondContact CA-O 3.47Å; T28-I65 WeakPolarHBondContact O-CA 3.46Å; T28-R66 HydrophobicContact CG2-CB 4.12Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.25Å; T28-R66 VanDerWaalsContact O-N 3.07Å; T28-V68 HydrophobicContact CG2-CG2 3.83Å
29I93.9Very high93.2Very high5 Ų548.5 Ų48.53%0.02627%0.265CS..  trans-109.9174.7174.659.1164000110.7C31 G32 H33 F35 T40 C53 F60 I65I29-C31 VanDerWaalsContact CD1-SG 3.54Å; I29-C31 PolarHBondContact O-N 2.98Å; I29-G32 PolarHBondContact O-N 3.38Å; I29-H33 WeakPolarHBondContact CG1-O 3.45Å; I29-H33 PolarHBondContact N-O 3.34Å; I29-F35 HydrophobicContact CD1-CE2 3.88Å; I29-F35 HydrophobicContact CG1-CE2 4.23Å; I29-T40 HydrophobicContact CG2-CG2 3.81Å; I29-C53 HydrophobicContact CD1-CB 3.65Å; I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD1 4.46Å; I29-F60 HydrophobicContact CB-CD2 3.83Å; I29-F60 HydrophobicContact CB-CE2 4.29Å; I29-F60 HydrophobicContact CB-CG 3.93Å; I29-F60 HydrophobicContact CD1-CB 4.46Å; I29-F60 HydrophobicContact CD1-CD1 3.62Å; I29-F60 HydrophobicContact CD1-CD2 4.48Å; I29-F60 HydrophobicContact CD1-CE1 3.88Å; I29-F60 HydrophobicContact CD1-CG 3.95Å; I29-F60 HydrophobicContact CD1-CZ 4.42Å; I29-F60 HydrophobicContact CG2-CD2 3.73Å; I29-F60 HydrophobicContact CG2-CE2 3.69Å; I29-F60 HydrophobicContact CG2-CG 4.25Å; I29-F60 HydrophobicContact CG2-CZ 4.16Å; I29-I65 HydrophobicContact CG2-CG1 4.23Å
30D92.3Very high93.2Very high73 Ų7345.7 Ų45.739%0.3925%0.245SC..THydrogen-bonded Turntrans-48.9-31.8-173.7-73.3-29.9000115.9G32 F60 K61 N64D30-G32 VanDerWaalsContact C-N 3.34Å; D30-F60 HydrophobicContact CB-CB 3.7Å; D30-F60 WeakPolarHBondContact OD2-CA 3.43Å; D30-F60 WeakPolarHBondContact OD2-CB 3.26Å; D30-K61 PolarHBondContact OD2-N 3.27Å; D30-N64 WeakPolarHBondContact OD1-CB 3.47Å; D30-N64 VanDerWaalsContact OD1-CG 3.27Å; D30-N64 PolarHBondContact OD1-ND2 2.92Å
31C94.3Very high93Very high34 Ų3441.8 Ų41.823%0.2323%0.23CC..THydrogen-bonded Turntrans-85.8-1.4-179.268.80000114.8I29 H33 K58I29-C31 VanDerWaalsContact CD1-SG 3.54Å; I29-C31 PolarHBondContact O-N 2.98Å; C31-H33 PolarHBondContact SG-ND1 2.86Å; C31-K58 HydrophobicContact CB-CB 4.15Å; C31-K58 HydrophobicContact CB-CD 4.04Å
32G93.4Very high92.9Very high49 Ų4942.7 Ų42.751%0.50523%0.234SC..SBendtrans91.6-17.5-179.300000115.4T28 I29 D30T28-G32 PolarHBondContact OG1-O 2.81Å; T28-G32 VanDerWaalsContact OG1-O 3.12Å; I29-G32 PolarHBondContact O-N 3.38Å; D30-G32 VanDerWaalsContact C-N 3.34Å
33H95.1Very high92.7Very high66 Ų6642.5 Ų42.531%0.30624%0.235SC..  trans-64.9146.2177.2-67.4110.1000112.3T28 I29 C31 F35 C53 L55T28-H33 WeakPolarHBondContact CA-O 3.47Å; I29-H33 WeakPolarHBondContact CG1-O 3.45Å; I29-H33 PolarHBondContact N-O 3.34Å; C31-H33 PolarHBondContact SG-ND1 2.86Å; H33-F35 HydrophobicContact CB-CE2 3.72Å; H33-F35 HydrophobicContact CB-CZ 3.94Å; H33-C53 PolarHBondContact ND1-SG 3.05Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; H33-L55 HydrophobicContact CB-CD1 4.02Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.09Å
34V95.3Very high92.2Very high34 Ų3450.2 Ų50.221%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-115.3137.8-174.7-174.60000111L23 P26 V27 V68 L71L23-V34 HydrophobicContact CD1-CG1 3.95Å; L23-V34 HydrophobicContact CD2-CG1 4.1Å; P26-V34 HydrophobicContact CB-CG1 3.73Å; V27-V34 VanDerWaalsContact O-CA 3.29Å; V27-V34 WeakPolarHBondContact O-CA 2.94Å; V27-V34 WeakPolarHBondContact O-CG1 3.28Å; V34-V68 HydrophobicContact CG2-CG2 4.35Å; V34-L71 HydrophobicContact CB-CD1 4.02Å; V34-L71 HydrophobicContact CG1-CD1 3.65Å; V34-L71 HydrophobicContact CG2-CD1 3.79Å
35F95.3Very high91.4Very high0 Ų046.9 Ų46.90%026%0.258CS..EExtended strand (participates in β ladder)trans-143.2170.1176.8-50-89.4000110.1S17 I18 L23 P26 V27 I29 H33 P54 L55S17-F35 WeakPolarHBondContact OG-CE1 2.93Å; I18-F35 HydrophobicContact CD1-CB 4.06Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 3.97Å; I18-F35 HydrophobicContact CD1-CG 3.81Å; I18-F35 HydrophobicContact CG1-CD1 3.63Å; I18-F35 HydrophobicContact CG1-CE1 3.97Å; I18-F35 HydrophobicContact CG1-CG 4.48Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; P26-F35 WeakPolarHBondContact CA-O 3.33Å; V27-F35 WeakPolarHBondContact CG2-O 3.41Å; V27-F35 PolarHBondContact N-O 3.02Å; V27-F35 PolarHBondContact O-N 3.14Å; I29-F35 HydrophobicContact CD1-CE2 3.88Å; I29-F35 HydrophobicContact CG1-CE2 4.23Å; H33-F35 HydrophobicContact CB-CE2 3.72Å; H33-F35 HydrophobicContact CB-CZ 3.94Å; F35-P54 HydrophobicContact CE1-CB 4.48Å; F35-P54 HydrophobicContact CE1-CG 4.32Å; F35-P54 HydrophobicContact CZ-CG 4.29Å; F35-L55 HydrophobicContact CE1-CD1 4.03Å; F35-L55 HydrophobicContact CE1-CG 4.16Å; F35-L55 HydrophobicContact CZ-CD1 3.85Å; F35-L55 HydrophobicContact CZ-CG 4.02Å
36C95.2Very high90.3Very high3 Ų349.3 Ų49.32%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-62.8147.3168.8-53.90000110.5C16 R24 S38 C39 T40C16-C36 VanDerWaalsContact CB-SG 3.57Å; C16-C36 VanDerWaalsContact SG-SG 3.66Å; R24-C36 PolarHBondContact N-SG 2.67Å; R24-C36 WeakPolarHBondContact O-CA 3.48Å; R24-C36 VanDerWaalsContact O-CB 3.26Å; R24-C36 WeakPolarHBondContact O-CB 3.18Å; C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.03Å; C36-C39 HydrophobicContact CB-CB 4.03Å; C36-C39 PolarHBondContact O-N 2.77Å; C36-T40 PolarHBondContact O-N 3.28Å; C36-T40 PolarHBondContact O-OG1 3.29Å
37R93.5Very high89Confident105 Ų10554.6 Ų54.640%0.39631%0.307SS..Hα-helixtrans-55.8-43.8174.8179.2179.4-65.4-88.3-4.4112.5D25 V27 T40 S41D25-R37 HydrophobicContact CB-CB 4.16Å; D25-R37 PolarHBondContact O-N 3.05Å; D25-R37 IonicContact OD1-NE 4Å; D25-R37 VanDerWaalsContact OD2-CB 3.25Å; D25-R37 WeakPolarHBondContact OD2-CB 3.49Å; D25-R37 WeakPolarHBondContact OD2-CD 3.36Å; D25-R37 IonicContact OD2-CZ 3.75Å; D25-R37 IonicContact OD2-NE 2.67Å; D25-R37 PolarHBondContact OD2-NE 3.34Å; D25-R37 IonicContact OD2-NH2 3.99Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; R37-T40 PolarHBondContact O-N 3.08Å; R37-S41 WeakPolarHBondContact O-CB 3.4Å; R37-S41 PolarHBondContact O-N 2.98Å; R37-S41 PolarHBondContact O-OG 3.06Å
38S93.3Very high87.5Confident71 Ų7158.2 Ų58.250%0.49734%0.344SS..Hα-helixtrans-59.2-53.4176.749.40000110.9C36 T40 S41 D42C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.03Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.45Å; S38-S41 WeakPolarHBondContact O-CB 3.48Å; S38-S41 PolarHBondContact O-N 3.44Å; S38-D42 PolarHBondContact O-N 3.09Å; S38-D42 VanDerWaalsContact O-N 3.16Å
39C93.4Very high86.6Confident11 Ų1162.6 Ų62.67%0.07437%0.366CS..Hα-helixtrans-57.9-38.8178.3-61.60000113I18 C36 S41 D42I18-C39 HydrophobicContact CB-CB 3.83Å; I18-C39 HydrophobicContact CD1-CB 3.68Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.81Å; C36-C39 HydrophobicContact CB-CB 4.03Å; C36-C39 PolarHBondContact O-N 2.77Å; C39-S41 VanDerWaalsContact C-N 3.33Å; C39-D42 PolarHBondContact O-N 3.27Å
40T91.7Very high86.1Confident2 Ų269.2 Ų69.21%0.01239%0.391CS..Hα-helixtrans-68.4-35177.4-51.10000111.7V27 I29 C36 R37 S38 D42 I43 F60 I65V27-T40 HydrophobicContact CG2-CG2 4.3Å; V27-T40 VanDerWaalsContact CG2-OG1 3.27Å; V27-T40 WeakPolarHBondContact CG2-OG1 3.29Å; I29-T40 HydrophobicContact CG2-CG2 3.81Å; C36-T40 PolarHBondContact O-N 3.28Å; C36-T40 PolarHBondContact O-OG1 3.29Å; R37-T40 PolarHBondContact O-N 3.08Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.45Å; T40-D42 VanDerWaalsContact C-N 3.28Å; T40-D42 PolarHBondContact O-N 3.13Å; T40-I43 HydrophobicContact CG2-CD1 4.37Å; T40-I43 WeakPolarHBondContact O-CB 3.27Å; T40-I43 PolarHBondContact O-N 2.97Å; T40-F60 HydrophobicContact CG2-CE2 4.18Å; T40-F60 HydrophobicContact CG2-CZ 4.29Å; T40-I65 HydrophobicContact CG2-CD1 3.66Å; T40-I65 HydrophobicContact CG2-CG1 4.27Å
41S88.5Confident85.9Confident58 Ų5866.2 Ų66.241%0.40638%0.375SS..Hα-helixtrans-68.8-29.2179.3-590000112.6R37 S38 C39 I43 R44R37-S41 WeakPolarHBondContact O-CB 3.4Å; R37-S41 PolarHBondContact O-N 2.98Å; R37-S41 PolarHBondContact O-OG 3.06Å; S38-S41 WeakPolarHBondContact O-CB 3.48Å; S38-S41 PolarHBondContact O-N 3.44Å; C39-S41 VanDerWaalsContact C-N 3.33Å; S41-I43 VanDerWaalsContact C-N 3.3Å; S41-R44 PolarHBondContact O-NH1 3.31Å
42D87.8Confident85.7Confident110 Ų11067.1 Ų67.159%0.58838%0.38SS*.THydrogen-bonded Turntrans-78.4-11.5177.8-67.2-27.6000113.5S38 C39 T40 R44S38-D42 PolarHBondContact O-N 3.09Å; S38-D42 VanDerWaalsContact O-N 3.16Å; C39-D42 PolarHBondContact O-N 3.27Å; T40-D42 VanDerWaalsContact C-N 3.28Å; T40-D42 PolarHBondContact O-N 3.13Å; D42-R44 PolarHBondContact O-N 3.35Å
43I86.6Confident85.8Confident21 Ų2164.8 Ų64.811%0.10836%0.356CS..  trans-66.5106.9175-57.2171.7000109.2I18 T40 S41 P51 P54 F60I18-I43 HydrophobicContact CD1-CD1 4.11Å; I18-I43 HydrophobicContact CD1-CG1 4.37Å; T40-I43 HydrophobicContact CG2-CD1 4.37Å; T40-I43 WeakPolarHBondContact O-CB 3.27Å; T40-I43 PolarHBondContact O-N 2.97Å; S41-I43 VanDerWaalsContact C-N 3.3Å; I43-P51 HydrophobicContact CG2-CB 3.82Å; I43-P54 HydrophobicContact CD1-CG 3.91Å; I43-P54 HydrophobicContact CG1-CG 4.44Å; I43-F60 HydrophobicContact CB-CZ 4.45Å; I43-F60 HydrophobicContact CD1-CE1 4.23Å; I43-F60 HydrophobicContact CD1-CZ 3.92Å; I43-F60 HydrophobicContact CG2-CE1 4.34Å; I43-F60 HydrophobicContact CG2-CZ 4.3Å
44R81.1Confident85.6Confident168 Ų16863.9 Ų63.963%0.63436%0.356SS*.  trans-90.1137.8177.5-65.7-69.6-179.2-100.81.4110.7S41 D42S41-R44 PolarHBondContact O-NH1 3.31Å; D42-R44 PolarHBondContact O-N 3.35Å
45P75.7Confident85.4Confident54 Ų5466.6 Ų66.635%0.35137%0.368SS..  trans-72135.4172.728-31.4000111.3S47 N49P45-S47 PolarHBondContact O-N 3.46Å; P45-N49 WeakPolarHBondContact CB-O 3.48Å
46I67.6Low85.3Confident136 Ų13668.7 Ų68.770%0.69738%0.383SS*.SBendtrans-79.7103.3173.4-54.1172.5000106.2
47S64.3Low85.1Confident113 Ų11375.5 Ų75.579%0.7941%0.412SS*.THydrogen-bonded Turntrans71.547.1170.8-44.80000117P45 N49P45-S47 PolarHBondContact O-N 3.46Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 3.26Å
48G63.6Low85Confident75 Ų7576.6 Ų76.677%0.77342%0.42SS*.THydrogen-bonded Turntrans79.11.8169.700000115.9
49N75.9Confident84.9Confident126 Ų12677 Ų7767%0.67442%0.42SS*.SBendtrans-82.9177.5175-84.2-25.4000113P45 S47P45-N49 WeakPolarHBondContact CB-O 3.48Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 3.26Å
50R83.8Confident84.8Confident144 Ų14476.5 Ų76.554%0.54342%0.417SS..  trans-62.7142.2170.4-68.7-176.9-172.6164.77.8110.4P59 K61R50-P59 HydrophobicContact CB-CB 4.01Å; R50-K61 VanDerWaalsContact CZ-CE 3.41Å
51P88.3Confident84.7Confident11 Ų1180.2 Ų80.27%0.07143%0.433CS..  trans-58.8148.4172.127.2-34.7000110.4I43 P59 F60 K62I43-P51 HydrophobicContact CG2-CB 3.82Å; P51-P59 CarbonylContact O-C 3.6Å; P51-P59 WeakPolarHBondContact O-CA 3.28Å; P51-F60 HydrophobicContact CB-CD1 4.39Å; P51-F60 HydrophobicContact CB-CE1 3.77Å; P51-F60 HydrophobicContact CB-CE2 4.33Å; P51-F60 HydrophobicContact CB-CZ 3.73Å; P51-F60 VanDerWaalsContact CD-O 3.26Å; P51-F60 WeakPolarHBondContact CD-O 3.36Å; P51-F60 HydrophobicContact CG-CD1 4.33Å; P51-F60 HydrophobicContact CG-CD2 4.16Å; P51-F60 HydrophobicContact CG-CE1 4.02Å; P51-F60 HydrophobicContact CG-CE2 3.83Å; P51-F60 HydrophobicContact CG-CG 4.41Å; P51-F60 HydrophobicContact CG-CZ 3.75Å; P51-F60 WeakPolarHBondContact CG-O 3.33Å; P51-F60 VanDerWaalsContact O-CD1 3.26Å; P51-F60 WeakPolarHBondContact O-CD1 3.49Å; P51-F60 PolarHBondContact O-N 3.33Å; P51-K62 HydrophobicContact CG-CG 4.36Å
52V91.3Very high84.7Confident53 Ų5382.2 Ų82.232%0.32143%0.434SS..BIsolated β-bridgetrans-112140.4-178-88.50000110.7P54 K57 P59V52-P54 WeakPolarHBondContact O-CD 3.46Å; V52-K57 VanDerWaalsContact CG1-O 3.28Å; V52-K57 WeakPolarHBondContact CG1-O 3.15Å; V52-P59 HydrophobicContact CG1-CB 4.22Å
53C93.5Very high84.6Confident0 Ų084.3 Ų84.30%044%0.44CS..  trans-59.1127.3176.6176.40000110.5I29 H33 L55 C56 K57 K58I29-C53 HydrophobicContact CD1-CB 3.65Å; H33-C53 PolarHBondContact ND1-SG 3.05Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; C53-L55 PolarHBondContact O-N 3.38Å; C53-L55 PolarHBondContact SG-N 3.21Å; C53-L55 VanDerWaalsContact SG-N 3.41Å; C53-C56 VanDerWaalsContact SG-SG 3.68Å; C53-K57 WeakPolarHBondContact O-CA 3.25Å; C53-K57 PolarHBondContact O-N 2.64Å; C53-K58 PolarHBondContact N-O 3.39Å
54P91Very high84.8Confident47 Ų4786.2 Ų86.231%0.30545%0.451SS..THydrogen-bonded Turntrans-58.4-30.8177.3-27.535.7000114I18 F35 I43 V52 K57I18-P54 HydrophobicContact CD1-CG 4.12Å; I18-P54 HydrophobicContact CG1-CG 4.28Å; F35-P54 HydrophobicContact CE1-CB 4.48Å; F35-P54 HydrophobicContact CE1-CG 4.32Å; F35-P54 HydrophobicContact CZ-CG 4.29Å; I43-P54 HydrophobicContact CD1-CG 3.91Å; I43-P54 HydrophobicContact CG1-CG 4.44Å; V52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-K57 WeakPolarHBondContact O-CE 3.37Å; P54-K57 PolarHBondContact O-NZ 3.32Å
55L91.6Very high85.3Confident90 Ų9080.1 Ų80.147%0.47143%0.431SS..THydrogen-bonded Turntrans-84-57.2-176.5-67.1172.3000113H33 F35 C53H33-L55 HydrophobicContact CB-CD1 4.02Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.09Å; F35-L55 HydrophobicContact CE1-CD1 4.03Å; F35-L55 HydrophobicContact CE1-CG 4.16Å; F35-L55 HydrophobicContact CZ-CD1 3.85Å; F35-L55 HydrophobicContact CZ-CG 4.02Å; C53-L55 PolarHBondContact O-N 3.38Å; C53-L55 PolarHBondContact SG-N 3.21Å; C53-L55 VanDerWaalsContact SG-N 3.41Å
56C92.8Very high86.2Confident45 Ų4585.6 Ų85.630%0.30444%0.444SS..THydrogen-bonded Turntrans-106.40.6-17469.30000115C53 K58C53-C56 VanDerWaalsContact SG-SG 3.68Å; C56-K58 PolarHBondContact O-N 3.28Å
57K90.9Very high87.3Confident146 Ų14680.9 Ų80.964%0.63542%0.422SS*.  trans60.69.2179.4-45.6-57.5-178.8-167.70115.3V52 C53 P54V52-K57 VanDerWaalsContact CG1-O 3.28Å; V52-K57 WeakPolarHBondContact CG1-O 3.15Å; C53-K57 WeakPolarHBondContact O-CA 3.25Å; C53-K57 PolarHBondContact O-N 2.64Å; P54-K57 WeakPolarHBondContact O-CE 3.37Å; P54-K57 PolarHBondContact O-NZ 3.32Å
58K92.5Very high88.6Confident128 Ų12876.8 Ų76.856%0.55739%0.393SS*.  trans-70.2137173-67.2179.8-178.6177.50110.6C31 C53 C56C31-K58 HydrophobicContact CB-CB 4.15Å; C31-K58 HydrophobicContact CB-CD 4.04Å; C53-K58 PolarHBondContact N-O 3.39Å; C56-K58 PolarHBondContact O-N 3.28Å
59P90.9Very high89.6Confident78 Ų7881.4 Ų81.451%0.50639%0.387SS..BIsolated β-bridgetrans-70144.8176.129-33.7000110.9R50 P51 V52R50-P59 HydrophobicContact CB-CB 4.01Å; P51-P59 CarbonylContact O-C 3.6Å; P51-P59 WeakPolarHBondContact O-CA 3.28Å; V52-P59 HydrophobicContact CG1-CB 4.22Å
60F91.4Very high90Very high2 Ų281.6 Ų81.61%0.00938%0.384CS..  trans-135.8159.817671-85.3000112.3I29 D30 T40 I43 P51 I65I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD1 4.46Å; I29-F60 HydrophobicContact CB-CD2 3.83Å; I29-F60 HydrophobicContact CB-CE2 4.29Å; I29-F60 HydrophobicContact CB-CG 3.93Å; I29-F60 HydrophobicContact CD1-CB 4.46Å; I29-F60 HydrophobicContact CD1-CD1 3.62Å; I29-F60 HydrophobicContact CD1-CD2 4.48Å; I29-F60 HydrophobicContact CD1-CE1 3.88Å; I29-F60 HydrophobicContact CD1-CG 3.95Å; I29-F60 HydrophobicContact CD1-CZ 4.42Å; I29-F60 HydrophobicContact CG2-CD2 3.73Å; I29-F60 HydrophobicContact CG2-CE2 3.69Å; I29-F60 HydrophobicContact CG2-CG 4.25Å; I29-F60 HydrophobicContact CG2-CZ 4.16Å; D30-F60 HydrophobicContact CB-CB 3.7Å; D30-F60 WeakPolarHBondContact OD2-CA 3.43Å; D30-F60 WeakPolarHBondContact OD2-CB 3.26Å; T40-F60 HydrophobicContact CG2-CE2 4.18Å; T40-F60 HydrophobicContact CG2-CZ 4.29Å; I43-F60 HydrophobicContact CB-CZ 4.45Å; I43-F60 HydrophobicContact CD1-CE1 4.23Å; I43-F60 HydrophobicContact CD1-CZ 3.92Å; I43-F60 HydrophobicContact CG2-CE1 4.34Å; I43-F60 HydrophobicContact CG2-CZ 4.3Å; P51-F60 HydrophobicContact CB-CD1 4.39Å; P51-F60 HydrophobicContact CB-CE1 3.77Å; P51-F60 HydrophobicContact CB-CE2 4.33Å; P51-F60 HydrophobicContact CB-CZ 3.73Å; P51-F60 VanDerWaalsContact CD-O 3.26Å; P51-F60 WeakPolarHBondContact CD-O 3.36Å; P51-F60 HydrophobicContact CG-CD1 4.33Å; P51-F60 HydrophobicContact CG-CD2 4.16Å; P51-F60 HydrophobicContact CG-CE1 4.02Å; P51-F60 HydrophobicContact CG-CE2 3.83Å; P51-F60 HydrophobicContact CG-CG 4.41Å; P51-F60 HydrophobicContact CG-CZ 3.75Å; P51-F60 WeakPolarHBondContact CG-O 3.33Å; P51-F60 VanDerWaalsContact O-CD1 3.26Å; P51-F60 WeakPolarHBondContact O-CD1 3.49Å; P51-F60 PolarHBondContact O-N 3.33Å; F60-I65 HydrophobicContact CE2-CD1 4.29Å; F60-I65 HydrophobicContact CE2-CG1 4.4Å
61K90Very high90.2Very high80 Ų8076.2 Ų76.235%0.34837%0.365SS..  trans-97.2137.4177.1-74.4-173.6-174.2-179.30110.9D30 R50 E63 N64D30-K61 PolarHBondContact OD2-N 3.27Å; R50-K61 VanDerWaalsContact CZ-CE 3.41Å; K61-E63 WeakPolarHBondContact CB-OE2 3.08Å; K61-E63 PolarHBondContact O-N 2.81Å; K61-N64 HydrophobicContact CB-CB 4.25Å; K61-N64 PolarHBondContact O-N 3.36Å
62K87.8Confident89.9Confident99 Ų9977.1 Ų77.143%0.4337%0.374SS..G310 helixtrans-65-28.3177.3-73.9-167.7174.6-170.70111.9P51 N64 I65P51-K62 HydrophobicContact CG-CG 4.36Å; K62-N64 PolarHBondContact O-N 3.28Å; K62-I65 HydrophobicContact CB-CD1 4.29Å; K62-I65 HydrophobicContact CG-CD1 4.41Å; K62-I65 WeakPolarHBondContact O-CB 3.34Å; K62-I65 WeakPolarHBondContact O-CD1 3.41Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.39Å; K62-I65 PolarHBondContact O-N 2.82Å
63E86.1Confident89.5Confident154 Ų15477.3 Ų77.372%0.7238%0.377SS*.G310 helixtrans-70.9-21.1179.5-53.773.1-147.800112.4K61K61-E63 WeakPolarHBondContact CB-OE2 3.08Å; K61-E63 PolarHBondContact O-N 2.81Å
64N90.3Very high89.1Confident62 Ų6280.2 Ų80.233%0.33239%0.393SS..G310 helixtrans-93.51.6-178.8-70.3-9.8000113.3D30 K61 K62 R66D30-N64 WeakPolarHBondContact OD1-CB 3.47Å; D30-N64 VanDerWaalsContact OD1-CG 3.27Å; D30-N64 PolarHBondContact OD1-ND2 2.92Å; K61-N64 HydrophobicContact CB-CB 4.25Å; K61-N64 PolarHBondContact O-N 3.36Å; K62-N64 PolarHBondContact O-N 3.28Å; N64-R66 PolarHBondContact O-N 2.93Å
65I93.1Very high88.9Confident40 Ų4078.1 Ų78.121%0.20538%0.379CS..  trans-65.4121.9175.6-61.5172.6000108.7V27 T28 I29 T40 F60 K62V27-I65 HydrophobicContact CB-CG2 3.56Å; V27-I65 HydrophobicContact CG1-CG2 3.96Å; V27-I65 HydrophobicContact CG2-CG2 3.67Å; T28-I65 WeakPolarHBondContact O-CA 3.46Å; I29-I65 HydrophobicContact CG2-CG1 4.23Å; T40-I65 HydrophobicContact CG2-CD1 3.66Å; T40-I65 HydrophobicContact CG2-CG1 4.27Å; F60-I65 HydrophobicContact CE2-CD1 4.29Å; F60-I65 HydrophobicContact CE2-CG1 4.4Å; K62-I65 HydrophobicContact CB-CD1 4.29Å; K62-I65 HydrophobicContact CG-CD1 4.41Å; K62-I65 WeakPolarHBondContact O-CB 3.34Å; K62-I65 WeakPolarHBondContact O-CD1 3.41Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.39Å; K62-I65 PolarHBondContact O-N 2.82Å
66R93.9Very high88.5Confident169 Ų16979.6 Ų79.664%0.63838%0.383SS*.EExtended strand (participates in β ladder)trans-123.9141.1-179.5-68.1176.6-174.3-105.1-1110.6V27 T28 N64V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.49Å; V27-R66 WeakPolarHBondContact CB-O 3.42Å; T28-R66 HydrophobicContact CG2-CB 4.12Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.25Å; T28-R66 VanDerWaalsContact O-N 3.07Å; N64-R66 PolarHBondContact O-N 2.93Å
67P91.2Very high87.9Confident36 Ų3679.9 Ų79.923%0.23438%0.382CS..EExtended strand (participates in β ladder)trans-65.7155.6173.9-6.321.7000111.2P26 W69P26-P67 CarbonylContact O-C 3.58Å; P26-P67 WeakPolarHBondContact O-CA 3.45Å; P67-W69 HydrophobicContact CB-CD2 4.08Å; P67-W69 HydrophobicContact CB-CE3 4.48Å; P67-W69 HydrophobicContact CB-CH2 3.98Å; P67-W69 HydrophobicContact CB-CZ2 3.56Å; P67-W69 HydrophobicContact CB-CZ3 4.42Å; P67-W69 HydrophobicContact CG-CH2 3.94Å; P67-W69 HydrophobicContact CG-CZ2 3.44Å; P67-W69 VanDerWaalsContact CG-CZ2 3.44Å; P67-W69 WeakPolarHBondContact O-CH2 3.49Å; P67-W69 WeakPolarHBondContact O-CZ3 3.24Å
68V90.6Very high87.5Confident28 Ų2873 Ų7317%0.1735%0.352CS..  trans-127.976.4173.4-171.10000109.1P26 T28 V34 Q70 L71P26-V68 WeakPolarHBondContact CG-O 3.43Å; P26-V68 PolarHBondContact O-N 3.24Å; T28-V68 HydrophobicContact CG2-CG2 3.83Å; V34-V68 HydrophobicContact CG2-CG2 4.35Å; V68-Q70 PolarHBondContact O-N 2.96Å; V68-Q70 VanDerWaalsContact O-N 3.14Å; V68-L71 HydrophobicContact CB-CD1 4.15Å; V68-L71 HydrophobicContact CG1-CB 4.27Å; V68-L71 HydrophobicContact CG1-CD1 3.72Å; V68-L71 HydrophobicContact CG1-CG 3.87Å; V68-L71 PolarHBondContact O-N 3.33Å
69W85.7Confident87Confident171 Ų17169.9 Ų69.965%0.64834%0.34SS*.Hα-helixtrans-55.9-32-174-46.6-103.6000113.4P67 L71 A72 S73P67-W69 HydrophobicContact CB-CD2 4.08Å; P67-W69 HydrophobicContact CB-CE3 4.48Å; P67-W69 HydrophobicContact CB-CH2 3.98Å; P67-W69 HydrophobicContact CB-CZ2 3.56Å; P67-W69 HydrophobicContact CB-CZ3 4.42Å; P67-W69 HydrophobicContact CG-CH2 3.94Å; P67-W69 HydrophobicContact CG-CZ2 3.44Å; P67-W69 VanDerWaalsContact CG-CZ2 3.44Å; P67-W69 WeakPolarHBondContact O-CH2 3.49Å; P67-W69 WeakPolarHBondContact O-CZ3 3.24Å; W69-L71 VanDerWaalsContact C-N 3.27Å; W69-L71 PolarHBondContact O-N 3.43Å; W69-A72 WeakPolarHBondContact O-CB 3.4Å; W69-A72 PolarHBondContact O-N 3.18Å; W69-A72 VanDerWaalsContact O-N 3.13Å; W69-S73 PolarHBondContact O-N 3.09Å
70Q84.1Confident86.3Confident130 Ų13072.3 Ų72.361%0.60734%0.339SS*.Hα-helixtrans-60.9-35.8177.6-61.988.8-21.200112.1V68 S73 L74V68-Q70 PolarHBondContact O-N 2.96Å; V68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-S73 PolarHBondContact O-N 3.43Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 2.95Å
71L87.9Confident85.4Confident31 Ų3175.8 Ų75.816%0.16236%0.357CS..Hα-helixtrans-72.7-32.3176.7-72.9171.1000111.9V14 L23 P26 V34 V68 W69 S73 L74 V75V14-L71 HydrophobicContact CG1-CD2 4.25Å; L23-L71 HydrophobicContact CD1-CB 4.38Å; L23-L71 HydrophobicContact CD1-CD1 4.19Å; P26-L71 HydrophobicContact CB-CB 4.03Å; P26-L71 HydrophobicContact CG-CB 3.89Å; V34-L71 HydrophobicContact CB-CD1 4.02Å; V34-L71 HydrophobicContact CG1-CD1 3.65Å; V34-L71 HydrophobicContact CG2-CD1 3.79Å; V68-L71 HydrophobicContact CB-CD1 4.15Å; V68-L71 HydrophobicContact CG1-CB 4.27Å; V68-L71 HydrophobicContact CG1-CD1 3.72Å; V68-L71 HydrophobicContact CG1-CG 3.87Å; V68-L71 PolarHBondContact O-N 3.33Å; W69-L71 VanDerWaalsContact C-N 3.27Å; W69-L71 PolarHBondContact O-N 3.43Å; L71-S73 VanDerWaalsContact C-N 3.34Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 PolarHBondContact O-N 3.02Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.88Å
72A82Confident84.5Confident30 Ų3076.4 Ų76.425%0.24836%0.36CS..Hα-helixtrans-63.5-44.4173.300000110.4P26 W69 L74 V75 E76P26-A72 HydrophobicContact CG-CB 3.87Å; W69-A72 WeakPolarHBondContact O-CB 3.4Å; W69-A72 PolarHBondContact O-N 3.18Å; W69-A72 VanDerWaalsContact O-N 3.13Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 2.79Å; A72-E76 PolarHBondContact O-N 2.81Å; A72-E76 VanDerWaalsContact O-N 3.09Å
73S81.8Confident83.4Confident57 Ų5777 Ų7740%0.39937%0.371SS..Hα-helixtrans-62.7-38.4174.7-1750000112.4W69 Q70 L71 E76 N77W69-S73 PolarHBondContact O-N 3.09Å; Q70-S73 PolarHBondContact O-N 3.43Å; L71-S73 VanDerWaalsContact C-N 3.34Å; S73-E76 PolarHBondContact O-N 3.45Å; S73-N77 WeakPolarHBondContact O-CB 3.5Å; S73-N77 PolarHBondContact O-N 3Å; S73-N77 PolarHBondContact O-ND2 2.92Å; S73-N77 VanDerWaalsContact O-ND2 3.09Å
74L85.3Confident81.8Confident62 Ų6273.5 Ų73.533%0.32536%0.357SS..Hα-helixtrans-63.2-43.2174.5-78.5162.8000112.3V14 Q70 L71 A72 N77 I78V14-L74 HydrophobicContact CG1-CB 3.97Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 2.95Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 PolarHBondContact O-N 3.02Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 3.13Å; L74-N77 PolarHBondContact O-N 3.26Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.44Å
75V86.3Confident79.9Confident2 Ų275.4 Ų75.41%0.01237%0.368CS..Hα-helixtrans-57.8-50174.5170.70000110.9V14 Y22 L23 L71 A72 N77 I78 E79V14-V75 HydrophobicContact CB-CG2 3.72Å; V14-V75 HydrophobicContact CG1-CG2 4.29Å; V14-V75 HydrophobicContact CG2-CG2 4.1Å; Y22-V75 HydrophobicContact CD2-CG1 4.01Å; Y22-V75 HydrophobicContact CG-CG1 4.06Å; L23-V75 HydrophobicContact CB-CG2 4.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.88Å; A72-V75 PolarHBondContact O-N 2.79Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 3.22Å; V75-I78 PolarHBondContact O-N 3.34Å; V75-E79 HydrophobicContact CG1-CG 4.38Å; V75-E79 WeakPolarHBondContact O-CG 3.41Å; V75-E79 PolarHBondContact O-N 3.42Å
76E83.7Confident77.6Confident121 Ų12176.9 Ų76.957%0.56539%0.393SS*.Hα-helixtrans-60-38.4178.3-70.8174.5-174.300112.1A72 S73 R80A72-E76 PolarHBondContact O-N 2.81Å; A72-E76 VanDerWaalsContact O-N 3.09Å; S73-E76 PolarHBondContact O-N 3.45Å; E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 PolarHBondContact O-N 3.39Å
77N81.4Confident75.3Confident51 Ų5177.3 Ų77.327%0.27340%0.395SS..Hα-helixtrans-66.3-42.8176.3-70-29.4000112S73 L74 V75 R80 L81S73-N77 WeakPolarHBondContact O-CB 3.5Å; S73-N77 PolarHBondContact O-N 3Å; S73-N77 PolarHBondContact O-ND2 2.92Å; S73-N77 VanDerWaalsContact O-ND2 3.09Å; L74-N77 PolarHBondContact O-N 3.26Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 3.22Å; N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 VanDerWaalsContact OD1-CZ 3.25Å; N77-R80 PolarHBondContact OD1-NH1 2.77Å; N77-R80 PolarHBondContact OD1-NH2 2.98Å; N77-L81 VanDerWaalsContact O-CG 3.3Å; N77-L81 WeakPolarHBondContact O-CG 3.48Å; N77-L81 PolarHBondContact O-N 3.48Å
78I82.2Confident72.6Confident3 Ų383.9 Ų83.92%0.01542%0.422CS..Hα-helixtrans-66.2-42.4177.1-66.2159.6000110.7L10 E11 V14 Y22 L74 V75 R80 L81 K82L10-I78 HydrophobicContact CD2-CD1 3.95Å; L10-I78 HydrophobicContact CD2-CG1 3.91Å; L10-I78 HydrophobicContact CG-CD1 3.86Å; L10-I78 HydrophobicContact CG-CG1 4.36Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.92Å; V14-I78 HydrophobicContact CG2-CD1 3.43Å; V14-I78 VanDerWaalsContact CG2-CD1 3.43Å; Y22-I78 VanDerWaalsContact OH-CG2 3.3Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.28Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.44Å; V75-I78 PolarHBondContact O-N 3.34Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å; I78-L81 PolarHBondContact O-N 3.28Å; I78-K82 PolarHBondContact O-N 3.23Å
79E80.8Confident70.4Confident61 Ų6189.1 Ų89.129%0.28546%0.457SS..Hα-helixtrans-59.1-43.1175.2-74.3178.615400111.2Y22 R24 V75 K82 V83Y22-E79 HydrophobicContact CD2-CG 4Å; Y22-E79 HydrophobicContact CE2-CG 3.8Å; R24-E79 IonicContact CZ-OE1 3.39Å; R24-E79 VanDerWaalsContact CZ-OE1 3.31Å; R24-E79 IonicContact NH1-OE1 3.3Å; R24-E79 PolarHBondContact NH1-OE1 3.15Å; R24-E79 IonicContact NH1-OE2 3.86Å; R24-E79 PolarHBondContact NH1-OE2 2.9Å; R24-E79 IonicContact NH2-OE1 3.81Å; R24-E79 PolarHBondContact NH2-OE1 3.28Å; V75-E79 HydrophobicContact CG1-CG 4.38Å; V75-E79 WeakPolarHBondContact O-CG 3.41Å; V75-E79 PolarHBondContact O-N 3.42Å; E79-K82 PolarHBondContact O-N 2.99Å; E79-V83 WeakPolarHBondContact O-CG2 3.2Å; E79-V83 PolarHBondContact O-N 2.9Å
80R77Confident68.2Low130 Ų13084.1 Ų84.149%0.49146%0.458SS..Hα-helixtrans-61.4-45.9174-173175.564.2-108-0.2112.2E76 N77 I78 K82 V83 D84E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 PolarHBondContact O-N 3.39Å; N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 VanDerWaalsContact OD1-CZ 3.25Å; N77-R80 PolarHBondContact OD1-NH1 2.77Å; N77-R80 PolarHBondContact OD1-NH2 2.98Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å; R80-K82 VanDerWaalsContact C-N 3.28Å; R80-K82 PolarHBondContact O-N 2.87Å; R80-V83 PolarHBondContact O-N 3.25Å; R80-V83 VanDerWaalsContact O-N 3.15Å; R80-D84 PolarHBondContact O-N 3.06Å
81L72.8Confident65.9Low75 Ų7582.9 Ų82.939%0.39345%0.452SS..Hα-helixtrans-62.3-33177.7-70.1171.3000112.7L7 N77 I78 D84 N85L7-L81 HydrophobicContact CD2-CD1 4.3Å; N77-L81 VanDerWaalsContact O-CG 3.3Å; N77-L81 WeakPolarHBondContact O-CG 3.48Å; N77-L81 PolarHBondContact O-N 3.48Å; I78-L81 PolarHBondContact O-N 3.28Å; L81-D84 PolarHBondContact O-N 3.39Å; L81-N85 WeakPolarHBondContact O-CB 3.47Å; L81-N85 PolarHBondContact O-N 3.42Å
82K70.4Confident63.6Low92 Ų9289.1 Ų89.140%0.449%0.485SS..Hα-helixtrans-68-38.9174.1-78.7-171.9173.1178.60112.5E11 Y22 I78 E79 R80 D84 G86E11-K82 WeakPolarHBondContact OE1-CE 3.26Å; E11-K82 IonicContact OE1-NZ 2.69Å; E11-K82 PolarHBondContact OE1-NZ 3.21Å; E11-K82 IonicContact OE2-NZ 3.61Å; E11-K82 PolarHBondContact OE2-NZ 3.07Å; Y22-K82 WeakPolarHBondContact OH-CE 3.48Å; Y22-K82 PolarHBondContact OH-NZ 3.02Å; I78-K82 PolarHBondContact O-N 3.23Å; E79-K82 PolarHBondContact O-N 2.99Å; R80-K82 VanDerWaalsContact C-N 3.28Å; R80-K82 PolarHBondContact O-N 2.87Å; K82-D84 VanDerWaalsContact C-N 3.29Å; K82-G86 PolarHBondContact O-N 2.84Å
83V64.3Low61.7Low111 Ų11192.2 Ų92.267%0.67351%0.511SS*.Hα-helixtrans-64.7-37.9174.9176.60000110.5E79 R80E79-V83 WeakPolarHBondContact O-CG2 3.2Å; E79-V83 PolarHBondContact O-N 2.9Å; R80-V83 PolarHBondContact O-N 3.25Å; R80-V83 VanDerWaalsContact O-N 3.15Å
84D52.6Low59.6Low81 Ų8195.8 Ų95.843%0.43352%0.515SS..Hα-helixtrans-73.9-36.6178.4-69.8-27.7000112.9R80 L81 K82 G86 R87R80-D84 PolarHBondContact O-N 3.06Å; L81-D84 PolarHBondContact O-N 3.39Å; K82-D84 VanDerWaalsContact C-N 3.29Å; D84-G86 PolarHBondContact O-N 3.5Å; D84-R87 VanDerWaalsContact O-CB 3.31Å; D84-R87 WeakPolarHBondContact O-CB 3.25Å; D84-R87 PolarHBondContact O-N 3.12Å
85N51.4Low57.4Low102 Ų10299.4 Ų99.455%0.54553%0.531SS..THydrogen-bonded Turntrans-69.7-8.8175.8-85.7-14.8000114.6L81 R87L81-N85 WeakPolarHBondContact O-CB 3.47Å; L81-N85 PolarHBondContact O-N 3.42Å; N85-R87 PolarHBondContact O-N 2.76Å
86G44.4Very low55.5Low72 Ų72102.9 Ų102.974%0.74255%0.553SS**THydrogen-bonded Turntrans-68.7-12.5164.800000112.9K82 D84K82-G86 PolarHBondContact O-N 2.84Å; D84-G86 PolarHBondContact O-N 3.5Å
87R44.4Very low53.8Low177 Ų177103.8 Ų103.867%0.66856%0.557SS**SBendtrans-91.5131.1171.8-59.6-175.9-178.9-170.92.1109D84 N85D84-R87 VanDerWaalsContact O-CB 3.31Å; D84-R87 WeakPolarHBondContact O-CB 3.25Å; D84-R87 PolarHBondContact O-N 3.12Å; N85-R87 PolarHBondContact O-N 2.76Å
88Q34.9Very low52.6Low174 Ų174108.2 Ų108.281%0.81358%0.581SS**  trans-48.7138.9-176.2-66.7174.2-8.600111.9G90Q88-G90 PolarHBondContact O-N 2.7Å
89P44.2Very low51.8Low139 Ų139112.6 Ų112.690%0.90360%0.603SS**THydrogen-bonded Turntrans-7478.3178.930.6-33.3000110.2
90G41.1Very low51.8Low65 Ų65116.3 Ų116.367%0.6762%0.618SS**THydrogen-bonded Turntrans-145.5-7.5172.100000113.2Q88 L92Q88-G90 PolarHBondContact O-N 2.7Å; G90-L92 PolarHBondContact O-N 3.27Å
91E35.2Very low52.4Low104 Ų104114.1 Ų114.149%0.48662%0.616SS.*  trans-101.484.5175.2-61.2-170.2160.400108.4A93 R94E91-A93 PolarHBondContact O-N 2.82Å; E91-A93 VanDerWaalsContact O-N 3.13Å; E91-R94 HydrophobicContact CB-CG 4.49Å; E91-R94 IonicContact OE1-CZ 3.06Å; E91-R94 IonicContact OE1-NE 3.02Å; E91-R94 IonicContact OE1-NH1 3.31Å; E91-R94 PolarHBondContact OE1-NH1 3.47Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-NH1 2.81Å
92L38.4Very low53.3Low163 Ų163111 Ų11185%0.85360%0.6SS**  trans-40.1122.4155.2-86.6106.4000107.4G90 R94G90-L92 PolarHBondContact O-N 3.27Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.25Å
93A42.9Very low54.3Low94 Ų94115.6 Ų115.678%0.77762%0.623SS**  trans-5.182.4170.500000112E91 E95E91-A93 PolarHBondContact O-N 2.82Å; E91-A93 VanDerWaalsContact O-N 3.13Å; A93-E95 PolarHBondContact O-N 3.42Å
94R37.6Very low55.5Low132 Ų132117.1 Ų117.150%0.49862%0.616SS.*  trans-70.784.3169.1-77.8177.8165.91791.4103.8E91 L92 P96 Q97E91-R94 HydrophobicContact CB-CG 4.49Å; E91-R94 IonicContact OE1-CZ 3.06Å; E91-R94 IonicContact OE1-NE 3.02Å; E91-R94 IonicContact OE1-NH1 3.31Å; E91-R94 PolarHBondContact OE1-NH1 3.47Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-NH1 2.81Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.25Å; R94-P96 VanDerWaalsContact O-N 3.13Å; R94-Q97 HydrophobicContact CB-CG 4.21Å; R94-Q97 HydrophobicContact CG-CG 4.19Å; R94-Q97 VanDerWaalsContact CZ-OE1 3.26Å
95E40Very low57.3Low139 Ų139115.6 Ų115.665%0.6561%0.607SS**  trans-28.5120.3147-79.2-71.3130.800105.9A93 Q97A93-E95 PolarHBondContact O-N 3.42Å; E95-Q97 WeakPolarHBondContact O-CA 3.38Å; E95-Q97 PolarHBondContact O-N 3.26Å
96P45.7Very low59Low75 Ų75116.9 Ų116.949%0.48761%0.609SS.*  trans-46.8107.4-159.813.3-27.4000108.4R94 D98 M99R94-P96 VanDerWaalsContact O-N 3.13Å; P96-D98 PolarHBondContact O-N 2.87Å; P96-M99 HydrophobicContact CB-CG 4.4Å; P96-M99 HydrophobicContact CG-CE 3.63Å; P96-M99 HydrophobicContact CG-CG 3.83Å; P96-M99 PolarHBondContact O-N 2.8Å
97Q48.1Very low61.1Low139 Ų139118.3 Ų118.365%0.6560%0.597SS**THydrogen-bonded Turntrans-65.65.5-165.2-101.6-178.2-1900113.3R94 E95R94-Q97 HydrophobicContact CB-CG 4.21Å; R94-Q97 HydrophobicContact CG-CG 4.19Å; R94-Q97 VanDerWaalsContact CZ-OE1 3.26Å; E95-Q97 WeakPolarHBondContact O-CA 3.38Å; E95-Q97 PolarHBondContact O-N 3.26Å
98D55.8Low63.2Low144 Ų144114.3 Ų114.377%0.7758%0.584SS**THydrogen-bonded Turntrans-120.424178.4-103.9-24.6000112.8P96 K100P96-D98 PolarHBondContact O-N 2.87Å; D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.78Å
99M64.7Low65.9Low96 Ų96107.6 Ų107.647%0.47355%0.554SS.*  trans-67.687.6166.4-78.2-95.8174.800109.2P96 L101 K108P96-M99 HydrophobicContact CB-CG 4.4Å; P96-M99 HydrophobicContact CG-CE 3.63Å; P96-M99 HydrophobicContact CG-CG 3.83Å; P96-M99 PolarHBondContact O-N 2.8Å; M99-L101 PolarHBondContact O-N 3.06Å; M99-K108 HydrophobicContact SD-CD 4.26Å
100K81.9Confident68.1Low138 Ų138105 Ų10560%0.653%0.529SS*.PPolyproline II helixtrans-57.5129.7175.3-70.6-174.5178.4-175.10110D98 L109 L119D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.78Å; K100-L109 HydrophobicContact CB-CD1 3.7Å; K100-L109 WeakPolarHBondContact O-CB 3.16Å; K100-L109 VanDerWaalsContact O-CG 3.28Å; K100-L109 WeakPolarHBondContact O-CG 3.34Å; K100-L109 PolarHBondContact O-N 3.12Å; K100-L119 HydrophobicContact CD-CD1 4.28Å
101L90Very high70.6Confident85 Ų85104.3 Ų104.345%0.44551%0.507SS..BIsolated β-bridgetrans-91.2150.4173.3-63.6177.2000110.2M99 E103 K108M99-L101 PolarHBondContact O-N 3.06Å; L101-E103 PolarHBondContact O-N 2.7Å; L101-K108 HydrophobicContact CD2-CG 4.2Å
102C91.6Very high73.4Confident10 Ų10102.6 Ų102.67%0.06850%0.496CS..PPolyproline II helixtrans-69.4121.8170.4179.30000109.8R104 H105 Q106 E107 L109 C121 C124C102-R104 PolarHBondContact O-N 3.44Å; C102-R104 VanDerWaalsContact O-N 3.13Å; C102-H105 HydrophobicContact CB-CB 4.38Å; C102-H105 PolarHBondContact O-N 3.01Å; C102-Q106 VanDerWaalsContact O-CA 3.3Å; C102-Q106 WeakPolarHBondContact O-CA 3.39Å; C102-Q106 PolarHBondContact O-N 3.22Å; C102-E107 WeakPolarHBondContact CB-O 3.12Å; C102-E107 PolarHBondContact N-O 2.79Å; C102-L109 HydrophobicContact CB-CD2 3.65Å; C102-C121 HydrophobicContact CB-CB 3.8Å; C102-C124 PolarHBondContact SG-SG 3.02Å
103E90.3Very high76.1Confident187 Ų18794.8 Ų94.887%0.87446%0.456SS*.THydrogen-bonded Turntrans-56.3-32.9179.5-62.3178.5172.400113.1L101L101-E103 PolarHBondContact O-N 2.7Å
104R90.3Very high78.4Confident143 Ų14395.4 Ų95.454%0.5444%0.443SS..THydrogen-bonded Turntrans-84.7-36.8-177-175.4165.164.3122-11.7114.3C102C102-R104 PolarHBondContact O-N 3.44Å; C102-R104 VanDerWaalsContact O-N 3.13Å
105H89.5Confident81.1Confident50 Ų5093.8 Ų93.823%0.23144%0.444CS..THydrogen-bonded Turntrans-113.6-9-171.3-56.2116000113.6C102 E107 C121 M123 C124C102-H105 HydrophobicContact CB-CB 4.38Å; C102-H105 PolarHBondContact O-N 3.01Å; H105-E107 HydrophobicContact CB-CB 4.23Å; H105-E107 HydrophobicContact CB-CG 4.12Å; H105-E107 PolarHBondContact O-N 2.99Å; H105-E107 VanDerWaalsContact O-N 3.12Å; H105-C121 PolarHBondContact ND1-SG 2.92Å; H105-M123 HydrophobicContact CB-CB 4.29Å; H105-C124 PolarHBondContact CE1-SG 2.96Å; H105-C124 PolarHBondContact ND1-SG 3.37Å
106Q87.9Confident83.6Confident128 Ų12890.3 Ų90.360%0.59843%0.429SS*.  trans56.322.6-172.6-63.2-67.5-28.400113.7C102C102-Q106 VanDerWaalsContact O-CA 3.3Å; C102-Q106 WeakPolarHBondContact O-CA 3.39Å; C102-Q106 PolarHBondContact O-N 3.22Å
107E88.2Confident85.8Confident103 Ų10388.8 Ų88.848%0.48143%0.427SS..  trans-100151.8179.6-74.3-62.2159.100111.6C102 H105 C121C102-E107 WeakPolarHBondContact CB-O 3.12Å; C102-E107 PolarHBondContact N-O 2.79Å; H105-E107 HydrophobicContact CB-CB 4.23Å; H105-E107 HydrophobicContact CB-CG 4.12Å; H105-E107 PolarHBondContact O-N 2.99Å; H105-E107 VanDerWaalsContact O-N 3.12Å; E107-C121 HydrophobicContact CB-CB 3.54Å
108K88.2Confident88Confident92 Ų9287.5 Ų87.540%0.442%0.42SS..BIsolated β-bridgetrans-60.4136.6178.7-69-178.1-178.8-176.30111.9M99 L101 H110 C121M99-K108 HydrophobicContact SD-CD 4.26Å; L101-K108 HydrophobicContact CD2-CG 4.2Å; K108-H110 VanDerWaalsContact CB-NE2 3.29Å; K108-H110 WeakPolarHBondContact CB-NE2 3.3Å; K108-H110 PolarHBondContact O-N 3.13Å; K108-C121 WeakPolarHBondContact O-CA 3.28Å; K108-C121 VanDerWaalsContact O-CB 3.28Å; K108-C121 WeakPolarHBondContact O-CB 3.37Å
109L92.4Very high89.8Confident34 Ų3484 Ų8418%0.17840%0.401CS..  trans-82.696.4177-62.8177.4000110.9K100 C102 L119 L120 C121K100-L109 HydrophobicContact CB-CD1 3.7Å; K100-L109 WeakPolarHBondContact O-CB 3.16Å; K100-L109 VanDerWaalsContact O-CG 3.28Å; K100-L109 WeakPolarHBondContact O-CG 3.34Å; K100-L109 PolarHBondContact O-N 3.12Å; C102-L109 HydrophobicContact CB-CD2 3.65Å; L109-L119 HydrophobicContact CB-CB 4.13Å; L109-L119 HydrophobicContact CD1-CB 3.71Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.41Å; L109-L119 HydrophobicContact CG-CB 4.3Å; L109-L120 VanDerWaalsContact CD2-C 3.46Å; L109-C121 HydrophobicContact CD2-CB 4.21Å; L109-C121 VanDerWaalsContact CD2-N 3.34Å
110H90Very high91.2Very high83 Ų8379.6 Ų79.638%0.38438%0.379SS..  trans-99.4-18.8-178.5-71.3-64.8000114.3K108 L120 L137 V138K108-H110 VanDerWaalsContact CB-NE2 3.29Å; K108-H110 WeakPolarHBondContact CB-NE2 3.3Å; K108-H110 PolarHBondContact O-N 3.13Å; H110-L120 PolarHBondContact N-O 3.24Å; H110-L120 VanDerWaalsContact N-O 3.13Å; H110-L137 WeakPolarHBondContact O-CA 3.45Å; H110-V138 WeakPolarHBondContact O-CG2 3.49Å; H110-V138 PolarHBondContact O-N 3.2Å
111Y92.9Very high91.8Very high51 Ų5173 Ų7320%0.235%0.35CS..EExtended strand (participates in β ladder)trans-116.5154.2-173.8-56.8-86.2000112.1L119 L120 V122 R125 V136 L137Y111-L119 CarbonylContact O-C 3.44Å; Y111-L119 WeakPolarHBondContact O-CA 3.45Å; Y111-L120 PolarHBondContact N-O 3.27Å; Y111-L120 PolarHBondContact O-N 2.96Å; Y111-V122 HydrophobicContact CE2-CG2 4.02Å; Y111-R125 HydrophobicContact CD2-CB 4.45Å; Y111-V136 CarbonylContact C-O 3.54Å; Y111-V136 WeakPolarHBondContact CA-O 3.41Å; Y111-L137 HydrophobicContact CD1-CD2 4.11Å; Y111-L137 HydrophobicContact CE1-CD2 3.79Å
112Y94.2Very high91.9Very high68 Ų6872.3 Ų72.327%0.26735%0.35SS..EExtended strand (participates in β ladder)trans-120.8124.9170.6174.9-101.3000108.1E114 G117 K118 L119 A135 V136 A141Y112-E114 HydrophobicContact CD1-CG 4.16Å; Y112-E114 HydrophobicContact CE1-CG 4.22Å; Y112-G117 VanDerWaalsContact CE2-C 3.49Å; Y112-G117 WeakPolarHBondContact OH-CA 3.19Å; Y112-K118 CarbonylContact C-O 3.44Å; Y112-K118 WeakPolarHBondContact CA-O 3.3Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; Y112-A135 WeakPolarHBondContact O-CA 3.29Å; Y112-V136 HydrophobicContact CD1-CG2 4.45Å; Y112-V136 PolarHBondContact N-O 3.05Å; Y112-V136 PolarHBondContact O-N 3.34Å; Y112-A141 HydrophobicContact CD1-CB 3.79Å; Y112-A141 HydrophobicContact CG-CB 4.05Å
113C94.7Very high92Very high0 Ų077 Ų770%037%0.372CS..EExtended strand (participates in β ladder)trans-80.6116.9172.4-167.60000108.9D115 D116 G117 K118 L120 H133C113-D115 VanDerWaalsContact C-N 3.34Å; C113-D116 HydrophobicContact CB-CB 4.25Å; C113-D116 PolarHBondContact SG-OD2 3.37Å; C113-D116 VanDerWaalsContact SG-OD2 3.35Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.3Å; C113-G117 PolarHBondContact O-N 3.26Å; C113-K118 PolarHBondContact N-O 3.21Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CD2 4.45Å; C113-L120 HydrophobicContact CB-CG 4.15Å; C113-H133 WeakPolarHBondContact SG-CB 2.79Å
114E92.8Very high92.1Very high107 Ų10768.7 Ų68.750%0.533%0.334SS..THydrogen-bonded Turntrans-70.2-33.1-179.9-64.9-175.2166.500111.9Y112 T134 V136Y112-E114 HydrophobicContact CD1-CG 4.16Å; Y112-E114 HydrophobicContact CE1-CG 4.22Å; E114-T134 PolarHBondContact N-O 3.31Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; E114-V136 HydrophobicContact CG-CG2 4.13Å
115D93.1Very high92.2Very high98 Ų9866.1 Ų66.152%0.52432%0.324SS..THydrogen-bonded Turntrans-72.1-43.5-179.7-56.4-70.2000112.9C113 H133 T134C113-D115 VanDerWaalsContact C-N 3.34Å; D115-H133 HydrophobicContact CB-CB 4.1Å; D115-H133 WeakPolarHBondContact OD2-CA 3.32Å; D115-H133 WeakPolarHBondContact OD2-CB 3.41Å; D115-H133 IonicContact OD2-CD2 3.16Å; D115-H133 IonicContact OD2-CG 3.43Å; D115-T134 PolarHBondContact OD2-N 3.15Å
116D93.2Very high92.4Very high65 Ų6567.9 Ų67.935%0.34833%0.333SS..THydrogen-bonded Turntrans-96.7-12.5-176.5-64-55.3000114.2C113 K118 H130 H133C113-D116 HydrophobicContact CB-CB 4.25Å; C113-D116 PolarHBondContact SG-OD2 3.37Å; C113-D116 VanDerWaalsContact SG-OD2 3.35Å; D116-K118 VanDerWaalsContact C-N 3.27Å; D116-K118 HydrophobicContact CB-CB 4.31Å; D116-K118 HydrophobicContact CB-CD 3.98Å; D116-K118 HydrophobicContact CB-CG 4Å; D116-K118 PolarHBondContact O-N 3.3Å; D116-H130 IonicContact OD2-CE1 3.81Å; D116-H130 PolarHBondContact OD2-CE1 2.96Å; D116-H130 IonicContact OD2-ND1 2.7Å; D116-H130 PolarHBondContact OD2-ND1 3.18Å; D116-H133 IonicContact OD1-CE1 3.99Å; D116-H133 PolarHBondContact OD1-CE1 2.76Å; D116-H133 IonicContact OD1-ND1 3.5Å; D116-H133 IonicContact OD2-CE1 3.91Å; D116-H133 PolarHBondContact OD2-CE1 3.19Å; D116-H133 IonicContact OD2-CG 3.56Å; D116-H133 IonicContact OD2-ND1 3.12Å; D116-H133 PolarHBondContact OD2-ND1 3.41Å
117G92.6Very high92.6Very high43 Ų4362.6 Ų62.644%0.44331%0.31SS..THydrogen-bonded Turntrans65.126-17300000114.6Y112 C113Y112-G117 VanDerWaalsContact CE2-C 3.49Å; Y112-G117 WeakPolarHBondContact OH-CA 3.19Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.3Å; C113-G117 PolarHBondContact O-N 3.26Å
118K92.7Very high92.8Very high113 Ų11369.1 Ų69.149%0.49133%0.33SS..EExtended strand (participates in β ladder)trans-108.3148.3-173.8-68.6176-171.1167.30112.8Y112 C113 D116 L120Y112-K118 CarbonylContact C-O 3.44Å; Y112-K118 WeakPolarHBondContact CA-O 3.3Å; C113-K118 PolarHBondContact N-O 3.21Å; D116-K118 VanDerWaalsContact C-N 3.27Å; D116-K118 HydrophobicContact CB-CB 4.31Å; D116-K118 HydrophobicContact CB-CD 3.98Å; D116-K118 HydrophobicContact CB-CG 4Å; D116-K118 PolarHBondContact O-N 3.3Å; K118-L120 HydrophobicContact CB-CD2 4.14Å
119L94Very high92.9Very high70 Ų7070.9 Ų70.937%0.36634%0.339SS..EExtended strand (participates in β ladder)trans-82.7130.4169.4-66.5174.4000110K100 L109 Y111 Y112 V138K100-L119 HydrophobicContact CD-CD1 4.28Å; L109-L119 HydrophobicContact CB-CB 4.13Å; L109-L119 HydrophobicContact CD1-CB 3.71Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.41Å; L109-L119 HydrophobicContact CG-CB 4.3Å; Y111-L119 CarbonylContact O-C 3.44Å; Y111-L119 WeakPolarHBondContact O-CA 3.45Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; L119-V138 HydrophobicContact CD2-CG1 4.2Å; L119-V138 HydrophobicContact CD2-CG2 3.47Å; L119-V138 VanDerWaalsContact CD2-CG2 3.47Å
120L94Very high93Very high3 Ų369.8 Ų69.82%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-121.1140.9-176.2-46.7-178000110.9L109 H110 Y111 C113 K118 C124 R125 H130 A135L109-L120 VanDerWaalsContact CD2-C 3.46Å; H110-L120 PolarHBondContact N-O 3.24Å; H110-L120 VanDerWaalsContact N-O 3.13Å; Y111-L120 PolarHBondContact N-O 3.27Å; Y111-L120 PolarHBondContact O-N 2.96Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CD2 4.45Å; C113-L120 HydrophobicContact CB-CG 4.15Å; K118-L120 HydrophobicContact CB-CD2 4.14Å; L120-C124 HydrophobicContact CB-CB 3.84Å; L120-C124 HydrophobicContact CD2-CB 4.03Å; L120-C124 HydrophobicContact CG-CB 4.43Å; L120-R125 HydrophobicContact CD1-CB 4.4Å; L120-H130 HydrophobicContact CD1-CB 3.71Å; L120-H130 VanDerWaalsContact CD2-CD2 3.48Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.29Å; L120-H130 VanDerWaalsContact CD2-NE2 3.31Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.38Å; L120-A135 HydrophobicContact CD1-CB 4.38Å
121C94.2Very high93.1Very high0 Ų074.1 Ų74.10%035%0.347CS..  trans-82.3174.6159.3700000110.2C102 H105 E107 K108 L109 M123 C124 R125C102-C121 HydrophobicContact CB-CB 3.8Å; H105-C121 PolarHBondContact ND1-SG 2.92Å; E107-C121 HydrophobicContact CB-CB 3.54Å; K108-C121 WeakPolarHBondContact O-CA 3.28Å; K108-C121 VanDerWaalsContact O-CB 3.28Å; K108-C121 WeakPolarHBondContact O-CB 3.37Å; L109-C121 HydrophobicContact CD2-CB 4.21Å; L109-C121 VanDerWaalsContact CD2-N 3.34Å; C121-M123 PolarHBondContact O-N 3.32Å; C121-C124 PolarHBondContact O-N 2.9Å; C121-C124 VanDerWaalsContact O-N 3.13Å; C121-C124 PolarHBondContact SG-N 3.31Å; C121-C124 VanDerWaalsContact SG-N 3.44Å; C121-R125 PolarHBondContact O-N 2.76Å
122V92.4Very high93.1Very high71 Ų7176.5 Ų76.543%0.4337%0.368SS..Hα-helixtrans-54-42.7178.5-176.80000111.5Y111 R125 E126Y111-V122 HydrophobicContact CE2-CG2 4.02Å; V122-R125 PolarHBondContact O-N 3.48Å; V122-E126 PolarHBondContact O-N 3.19Å
123M93.4Very high93.2Very high109 Ų10976.1 Ų76.154%0.53737%0.369SS..Hα-helixtrans-69.4-37179.7-62.7-60.2-67.900113.1H105 C121 E126 S127H105-M123 HydrophobicContact CB-CB 4.29Å; C121-M123 PolarHBondContact O-N 3.32Å; M123-E126 PolarHBondContact O-N 2.87Å; M123-S127 PolarHBondContact O-N 2.92Å
124C93.7Very high93.1Very high12 Ų1279.8 Ų79.88%0.08139%0.391CS..Hα-helixtrans-67.6-38.8175.5-79.20000111.9C102 H105 L120 C121 E126 S127 H130C102-C124 PolarHBondContact SG-SG 3.02Å; H105-C124 PolarHBondContact CE1-SG 2.96Å; H105-C124 PolarHBondContact ND1-SG 3.37Å; L120-C124 HydrophobicContact CB-CB 3.84Å; L120-C124 HydrophobicContact CD2-CB 4.03Å; L120-C124 HydrophobicContact CG-CB 4.43Å; C121-C124 PolarHBondContact O-N 2.9Å; C121-C124 VanDerWaalsContact O-N 3.13Å; C121-C124 PolarHBondContact SG-N 3.31Å; C121-C124 VanDerWaalsContact SG-N 3.44Å; C124-E126 VanDerWaalsContact C-N 3.28Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-S127 VanDerWaalsContact O-CB 3.25Å; C124-S127 WeakPolarHBondContact O-CB 3.35Å; C124-S127 PolarHBondContact O-N 3.35Å; C124-S127 VanDerWaalsContact O-N 3.15Å; C124-S127 PolarHBondContact O-OG 2.78Å; C124-H130 WeakPolarHBondContact O-CB 3.34Å; C124-H130 PolarHBondContact O-CD2 3.27Å
125R92.9Very high93.1Very high88 Ų8875.7 Ų75.733%0.33238%0.376SS..Hα-helixtrans-59.4-38.5176.8177.3-179.9176.8-100.16.3112.4Y111 L120 C121 V122 S127 R131 A135Y111-R125 HydrophobicContact CD2-CB 4.45Å; L120-R125 HydrophobicContact CD1-CB 4.4Å; C121-R125 PolarHBondContact O-N 2.76Å; V122-R125 PolarHBondContact O-N 3.48Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-R131 PolarHBondContact O-N 3.24Å; R125-A135 HydrophobicContact CG-CB 4.04Å
126E92.3Very high93.1Very high88 Ų8872.3 Ų72.341%0.41136%0.358SS..THydrogen-bonded Turntrans-85.2-2.8179.4-60.4-55.3137.100113.9V122 M123 C124 R131V122-E126 PolarHBondContact O-N 3.19Å; M123-E126 PolarHBondContact O-N 2.87Å; C124-E126 VanDerWaalsContact C-N 3.28Å; C124-E126 PolarHBondContact O-N 2.83Å; E126-R131 IonicContact OE2-NH1 3.74Å
127S92.7Very high93Very high16 Ų1673.6 Ų73.611%0.11237%0.365CS..SBendtrans-65.3154.8179.886.90000111.1M123 C124 R125 E129 H130 R131M123-S127 PolarHBondContact O-N 2.92Å; C124-S127 VanDerWaalsContact O-CB 3.25Å; C124-S127 WeakPolarHBondContact O-CB 3.35Å; C124-S127 PolarHBondContact O-N 3.35Å; C124-S127 VanDerWaalsContact O-N 3.15Å; C124-S127 PolarHBondContact O-OG 2.78Å; R125-S127 VanDerWaalsContact C-N 3.32Å; S127-E129 PolarHBondContact O-N 2.89Å; S127-E129 WeakPolarHBondContact OG-CB 3.31Å; S127-E129 PolarHBondContact OG-N 3.38Å; S127-H130 PolarHBondContact O-N 3.38Å; S127-H130 PolarHBondContact OG-N 2.89Å; S127-R131 WeakPolarHBondContact O-CB 3.49Å; S127-R131 PolarHBondContact O-N 3.36Å
128R91.4Very high93Very high240 Ų24073.9 Ų73.991%0.90636%0.358SS*.THydrogen-bonded Turntrans-55.7-26.4173.9-65.9-174.7-178.6-161.20.8113
129E91.8Very high92.7Very high129 Ų12975.6 Ų75.660%0.60337%0.368SS*.THydrogen-bonded Turntrans-72.8-45.7-178.7-59.7167.3171.500111.8S127S127-E129 PolarHBondContact O-N 2.89Å; S127-E129 WeakPolarHBondContact OG-CB 3.31Å; S127-E129 PolarHBondContact OG-N 3.38Å
130H93.4Very high92.4Very high11 Ų1179 Ų795%0.05138%0.379CS..THydrogen-bonded Turntrans-106.6-10.5-174.7-62.6-67.9000114.7D116 L120 C124 S127 P132 H133D116-H130 IonicContact OD2-CE1 3.81Å; D116-H130 PolarHBondContact OD2-CE1 2.96Å; D116-H130 IonicContact OD2-ND1 2.7Å; D116-H130 PolarHBondContact OD2-ND1 3.18Å; L120-H130 HydrophobicContact CD1-CB 3.71Å; L120-H130 VanDerWaalsContact CD2-CD2 3.48Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.29Å; L120-H130 VanDerWaalsContact CD2-NE2 3.31Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.38Å; C124-H130 WeakPolarHBondContact O-CB 3.34Å; C124-H130 PolarHBondContact O-CD2 3.27Å; S127-H130 PolarHBondContact O-N 3.38Å; S127-H130 PolarHBondContact OG-N 2.89Å; H130-P132 VanDerWaalsContact C-N 3.3Å; H130-H133 AromaticContact ND1-ND1 3.81Å; H130-H133 WeakPolarHBondContact O-CB 3.48Å; H130-H133 PolarHBondContact O-N 3.03Å
131R91.8Very high92.3Very high175 Ų17579.5 Ų79.566%0.6638%0.384SS*.THydrogen-bonded Turntrans-53.2-36.3175.4-174.2-179.6-174111.30.2114.3R125 E126 S127 H133R125-R131 PolarHBondContact O-N 3.24Å; E126-R131 IonicContact OE2-NH1 3.74Å; S127-R131 WeakPolarHBondContact O-CB 3.49Å; S127-R131 PolarHBondContact O-N 3.36Å; R131-H133 VanDerWaalsContact C-N 3.31Å
132P94.1Very high92.2Very high101 Ų10180.7 Ų80.766%0.65639%0.394SS*.THydrogen-bonded Turntrans-81.4-8.7174.632.2-33.9000113.7H130H130-P132 VanDerWaalsContact C-N 3.3Å
133H95.7Very high92.2Very high60 Ų6082.3 Ų82.328%0.27840%0.4SS..SBendtrans-91.4155.6-174.8-66.4176.2000112.4C113 D115 D116 H130 R131 A135C113-H133 WeakPolarHBondContact SG-CB 2.79Å; D115-H133 HydrophobicContact CB-CB 4.1Å; D115-H133 WeakPolarHBondContact OD2-CA 3.32Å; D115-H133 WeakPolarHBondContact OD2-CB 3.41Å; D115-H133 IonicContact OD2-CD2 3.16Å; D115-H133 IonicContact OD2-CG 3.43Å; D116-H133 IonicContact OD1-CE1 3.99Å; D116-H133 PolarHBondContact OD1-CE1 2.76Å; D116-H133 IonicContact OD1-ND1 3.5Å; D116-H133 IonicContact OD2-CE1 3.91Å; D116-H133 PolarHBondContact OD2-CE1 3.19Å; D116-H133 IonicContact OD2-CG 3.56Å; D116-H133 IonicContact OD2-ND1 3.12Å; D116-H133 PolarHBondContact OD2-ND1 3.41Å; H130-H133 AromaticContact ND1-ND1 3.81Å; H130-H133 WeakPolarHBondContact O-CB 3.48Å; H130-H133 PolarHBondContact O-N 3.03Å; R131-H133 VanDerWaalsContact C-N 3.31Å; H133-A135 PolarHBondContact O-N 2.92Å
134T93.1Very high92.1Very high76 Ų7680 Ų8047%0.46639%0.393SS..  trans-78.8111.6175.9-56.70000109.5E114 D115E114-T134 PolarHBondContact N-O 3.31Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; D115-T134 PolarHBondContact OD2-N 3.15Å
135A93.7Very high92Very high22 Ų2284.4 Ų84.418%0.18241%0.412CS..EExtended strand (participates in β ladder)trans-114.8119.9177.600000111.3Y112 L120 R125 H133Y112-A135 WeakPolarHBondContact O-CA 3.29Å; L120-A135 HydrophobicContact CD1-CB 4.38Å; R125-A135 HydrophobicContact CG-CB 4.04Å; H133-A135 PolarHBondContact O-N 2.92Å
136V92.2Very high92.1Very high26 Ų2686.9 Ų86.916%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-113.4161.9178.4-68.40000110.7Y111 Y112 E114 A141Y111-V136 CarbonylContact C-O 3.54Å; Y111-V136 WeakPolarHBondContact CA-O 3.41Å; Y112-V136 HydrophobicContact CD1-CG2 4.45Å; Y112-V136 PolarHBondContact N-O 3.05Å; Y112-V136 PolarHBondContact O-N 3.34Å; E114-V136 HydrophobicContact CG-CG2 4.13Å; V136-A141 HydrophobicContact CG2-CB 3.77Å
137L92.1Very high92.2Very high93 Ų9388.6 Ų88.649%0.48743%0.429SS..EExtended strand (participates in β ladder)trans-62.4138.4173.1-69.9171.8000110.6H110 Y111 E139 K140 A141H110-L137 WeakPolarHBondContact O-CA 3.45Å; Y111-L137 HydrophobicContact CD1-CD2 4.11Å; Y111-L137 HydrophobicContact CE1-CD2 3.79Å; L137-E139 PolarHBondContact O-N 2.99Å; L137-K140 HydrophobicContact CB-CB 4.35Å; L137-K140 WeakPolarHBondContact O-CA 3.43Å; L137-K140 WeakPolarHBondContact O-CB 3.31Å; L137-K140 PolarHBondContact O-N 3.34Å; L137-A141 PolarHBondContact O-N 2.75Å
138V91Very high92.4Very high48 Ų4894.7 Ų94.729%0.29145%0.454SS..Hα-helixtrans-53.8-42.5-178.41720000111.9H110 L119 K140 A141 A142H110-V138 WeakPolarHBondContact O-CG2 3.49Å; H110-V138 PolarHBondContact O-N 3.2Å; L119-V138 HydrophobicContact CD2-CG1 4.2Å; L119-V138 HydrophobicContact CD2-CG2 3.47Å; L119-V138 VanDerWaalsContact CD2-CG2 3.47Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.13Å; V138-A141 PolarHBondContact O-N 3.34Å; V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 2.79Å
139E86.7Confident92.7Very high149 Ų14988.1 Ų88.170%0.69644%0.436SS*.Hα-helixtrans-60.9-44.5178.4-65.7-179.6175.100111.7L137 A142 L143L137-E139 PolarHBondContact O-N 2.99Å; E139-A142 PolarHBondContact O-N 2.83Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.39Å
140K88.9Confident92.9Very high141 Ų14186.9 Ų86.961%0.61343%0.433SS*.Hα-helixtrans-65.1-42.8177.4-172.2-177178.8-173.70111.3L137 V138 A142 L143 P144L137-K140 HydrophobicContact CB-CB 4.35Å; L137-K140 WeakPolarHBondContact O-CA 3.43Å; L137-K140 WeakPolarHBondContact O-CB 3.31Å; L137-K140 PolarHBondContact O-N 3.34Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.13Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 3.48Å; K140-L143 PolarHBondContact O-N 3.37Å; K140-P144 WeakPolarHBondContact O-CD 3.44Å
141A90.9Very high93.1Very high15 Ų1590.6 Ų90.612%0.12445%0.453CS..Hα-helixtrans-61-38175.300000111.9Y112 V136 L137 V138 P144 H145Y112-A141 HydrophobicContact CD1-CB 3.79Å; Y112-A141 HydrophobicContact CG-CB 4.05Å; V136-A141 HydrophobicContact CG2-CB 3.77Å; L137-A141 PolarHBondContact O-N 2.75Å; V138-A141 PolarHBondContact O-N 3.34Å; A141-P144 WeakPolarHBondContact O-CD 3.43Å; A141-P144 WeakPolarHBondContact O-CG 3.3Å; A141-H145 PolarHBondContact O-CD2 3.22Å; A141-H145 VanDerWaalsContact O-CD2 3.27Å
142A91.9Very high93.3Very high25 Ų2587.7 Ų87.721%0.20745%0.447CS..Hα-helixtrans-74-25.6-17800000113.9V138 E139 K140 H145 R146V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 2.79Å; E139-A142 PolarHBondContact O-N 2.83Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 3.48Å; A142-H145 PolarHBondContact O-N 3.24Å; A142-R146 WeakPolarHBondContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 3.35Å
143L91.9Very high93.5Very high105 Ų10586.3 Ų86.355%0.5543%0.433SS..Hα-helixtrans-52.1-55.5-178.3-71.4177000114E139 K140 H145 R146 E147E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.39Å; K140-L143 PolarHBondContact O-N 3.37Å; L143-H145 VanDerWaalsContact C-N 3.28Å; L143-H145 PolarHBondContact O-N 3.5Å; L143-R146 PolarHBondContact O-N 2.96Å; L143-E147 PolarHBondContact O-N 3.25Å
144P91Very high93.6Very high60 Ų6087.2 Ų87.239%0.3944%0.44SS..Hα-helixtrans-63.5-32.5-179.324.3-35.6000112.9K140 A141 K148K140-P144 WeakPolarHBondContact O-CD 3.44Å; A141-P144 WeakPolarHBondContact O-CD 3.43Å; A141-P144 WeakPolarHBondContact O-CG 3.3Å; P144-K148 VanDerWaalsContact O-CG 3.31Å; P144-K148 WeakPolarHBondContact O-CG 3.32Å; P144-K148 PolarHBondContact O-N 3.25Å
145H92.8Very high93.8Very high104 Ų10486 Ų8648%0.48143%0.433SS..Hα-helixtrans-69.9-42.9175.2-65-71.4000111.6A141 A142 L143 E147 K148 I149A141-H145 PolarHBondContact O-CD2 3.22Å; A141-H145 VanDerWaalsContact O-CD2 3.27Å; A142-H145 PolarHBondContact O-N 3.24Å; L143-H145 VanDerWaalsContact C-N 3.28Å; L143-H145 PolarHBondContact O-N 3.5Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.94Å; H145-K148 PolarHBondContact O-N 2.86Å; H145-I149 VanDerWaalsContact O-CG1 3.27Å; H145-I149 WeakPolarHBondContact O-CG1 3.45Å; H145-I149 PolarHBondContact O-N 2.82Å
146R95.2Very high94Very high141 Ų14189.1 Ų89.153%0.53245%0.446SS..Hα-helixtrans-59.7-44.6174.2-75.2176.4177.2148.7-1.6111.1A142 L143 I149 L150A142-R146 WeakPolarHBondContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 3.35Å; L143-R146 PolarHBondContact O-N 2.96Å; R146-I149 PolarHBondContact O-N 3.45Å; R146-L150 WeakPolarHBondContact O-CB 3.31Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.37Å; R146-L150 PolarHBondContact O-N 3.24Å
147E94.9Very high94.3Very high123 Ų12394.2 Ų94.258%0.57546%0.462SS*.Hα-helixtrans-60.6-47.1176.5-174.3178.5-170.400112L143 H145 I149 L150 N151L143-E147 PolarHBondContact O-N 3.25Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.94Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.33Å; E147-L150 PolarHBondContact O-N 3.47Å; E147-N151 WeakPolarHBondContact O-CB 3.26Å; E147-N151 PolarHBondContact O-N 3.37Å; E147-N151 PolarHBondContact O-ND2 2.95Å
148K96.5Very high94.6Very high145 Ų14596.8 Ų96.863%0.6347%0.465SS*.Hα-helixtrans-56.8-44.3174.2-75.1175.2-176.9179.10112P144 H145 N151 H152P144-K148 VanDerWaalsContact O-CG 3.31Å; P144-K148 WeakPolarHBondContact O-CG 3.32Å; P144-K148 PolarHBondContact O-N 3.25Å; H145-K148 PolarHBondContact O-N 2.86Å; K148-N151 PolarHBondContact O-N 2.73Å; K148-H152 WeakPolarHBondContact O-CB 3.48Å; K148-H152 PolarHBondContact O-N 3.21Å
149I97.1Very high95Very high102 Ų10297.4 Ų97.452%0.52347%0.467SS..Hα-helixtrans-63.5-46.9177.7-69.5164.9000110.6H145 R146 E147 N151 H152 L153H145-I149 VanDerWaalsContact O-CG1 3.27Å; H145-I149 WeakPolarHBondContact O-CG1 3.45Å; H145-I149 PolarHBondContact O-N 2.82Å; R146-I149 PolarHBondContact O-N 3.45Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.33Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 2.97Å; I149-H152 PolarHBondContact O-N 3.15Å; I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CB 3.45Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.41Å
150L96.3Very high95.5Very high103 Ų10396.2 Ų96.254%0.53946%0.456SS..Hα-helixtrans-61.9-41.9178.9-70.5171000111.8R146 E147 H152 L153 N154R146-L150 WeakPolarHBondContact O-CB 3.31Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.37Å; R146-L150 PolarHBondContact O-N 3.24Å; E147-L150 PolarHBondContact O-N 3.47Å; L150-H152 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CD2-CD1 4.46Å; L150-L153 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 PolarHBondContact O-ND2 3.11Å
151N96.4Very high96Very high88 Ų8893.2 Ų93.247%0.47145%0.447SS..Hα-helixtrans-63.2-41.3175-73.8-24.4000112E147 K148 I149 N154 T155E147-N151 WeakPolarHBondContact O-CB 3.26Å; E147-N151 PolarHBondContact O-N 3.37Å; E147-N151 PolarHBondContact O-ND2 2.95Å; K148-N151 PolarHBondContact O-N 2.73Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 2.97Å; N151-N154 PolarHBondContact O-N 3.13Å; N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 VanDerWaalsContact O-N 3.15Å; N151-T155 PolarHBondContact O-OG1 3.45Å
152H97.5Very high96.4Very high115 Ų11598 Ų9853%0.53247%0.465SS..Hα-helixtrans-66.9-42.5175.9-163.164.5000111.8K148 I149 L150 N154 T155 L156K148-H152 WeakPolarHBondContact O-CB 3.48Å; K148-H152 PolarHBondContact O-N 3.21Å; I149-H152 PolarHBondContact O-N 3.15Å; L150-H152 PolarHBondContact O-N 2.97Å; H152-N154 VanDerWaalsContact C-N 3.3Å; H152-N154 PolarHBondContact O-N 2.75Å; H152-T155 WeakPolarHBondContact O-CB 3.22Å; H152-T155 PolarHBondContact O-N 3.25Å; H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.41Å
153L98.1Very high96.7Very high72 Ų72101.4 Ų101.438%0.37748%0.479SS..Hα-helixtrans-57.6-42.2174-76173000111.9I149 L150 T155 L156 R157I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CB 3.45Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.41Å; L150-L153 HydrophobicContact CD2-CD1 4.46Å; L150-L153 PolarHBondContact O-N 3.13Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.33Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.45Å
154N97.3Very high97Very high79 Ų79101.5 Ų101.542%0.42248%0.476SS..Hα-helixtrans-64.1-35.2175.9-72.9-24.7000112.5L150 N151 H152 R158L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 PolarHBondContact O-ND2 3.11Å; N151-N154 PolarHBondContact O-N 3.13Å; H152-N154 VanDerWaalsContact C-N 3.3Å; H152-N154 PolarHBondContact O-N 2.75Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 2.88Å; N154-R158 PolarHBondContact O-NE 2.69Å
155T97.9Very high97.3Very high50 Ų50100.6 Ų100.631%0.30748%0.478SS..Hα-helixtrans-69.3-48.9174-60.30000111.5N151 H152 L153 R157 R158 D159N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 VanDerWaalsContact O-N 3.15Å; N151-T155 PolarHBondContact O-OG1 3.45Å; H152-T155 WeakPolarHBondContact O-CB 3.22Å; H152-T155 PolarHBondContact O-N 3.25Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.33Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.07Å; T155-R158 WeakPolarHBondContact O-CB 3.44Å; T155-R158 PolarHBondContact O-N 2.8Å; T155-R158 VanDerWaalsContact O-N 3.11Å; T155-R158 PolarHBondContact OG1-NH2 2.98Å; T155-D159 PolarHBondContact O-N 2.89Å
156L98.4Very high97.6Very high87 Ų87102.7 Ų102.746%0.45549%0.486SS..Hα-helixtrans-60.9-37.6178.1-68.5177.9000112.6H152 L153 D159 R160H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.41Å; L153-L156 PolarHBondContact O-N 2.87Å; L156-D159 PolarHBondContact O-N 2.96Å; L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 2.99Å
157R98.4Very high97.7Very high134 Ų134102.2 Ų102.251%0.50649%0.49SS..Hα-helixtrans-61.2-47.2173.5-76171.5178-179-1.9111.4L153 T155 D159 R160 D161L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.45Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.07Å; R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 3.37Å; R157-R160 PolarHBondContact O-N 3.5Å; R157-D161 PolarHBondContact O-N 3.4Å; R157-D161 VanDerWaalsContact O-OD1 3.09Å
158R98.3Very high97.9Very high146 Ų14699.1 Ų99.155%0.55149%0.486SS*.Hα-helixtrans-60.8-40.7176.2-73.4-179.9-68.9159.3-1.1112N154 T155 D161 K162N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 2.88Å; N154-R158 PolarHBondContact O-NE 2.69Å; T155-R158 WeakPolarHBondContact O-CB 3.44Å; T155-R158 PolarHBondContact O-N 2.8Å; T155-R158 VanDerWaalsContact O-N 3.11Å; T155-R158 PolarHBondContact OG1-NH2 2.98Å; R158-D161 PolarHBondContact O-N 3.36Å; R158-K162 VanDerWaalsContact O-CG 3.31Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 3.37Å
159D98.3Very high98Very high62 Ų6298.4 Ų98.433%0.33248%0.483SS..Hα-helixtrans-71-38.1-179.9-67.4-23.8000112.3T155 L156 R157 D161 K162 I163T155-D159 PolarHBondContact O-N 2.89Å; L156-D159 PolarHBondContact O-N 2.96Å; R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 3.37Å; D159-D161 PolarHBondContact O-N 2.92Å; D159-K162 PolarHBondContact O-N 2.87Å; D159-K162 IonicContact OD1-NZ 2.8Å; D159-K162 PolarHBondContact OD1-NZ 3.36Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 2.98Å
160R98.5Very high98Very high123 Ų12395 Ų9546%0.46447%0.472SS..Hα-helixtrans-57.3-48.9168.9174.5-15857.8-159.3-9.6111.1L156 R157 K162 I163 Q164L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 2.99Å; R157-R160 PolarHBondContact O-N 3.5Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.38Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-I163 VanDerWaalsContact O-N 3.16Å; R160-Q164 WeakPolarHBondContact O-CG 3.1Å; R160-Q164 PolarHBondContact O-N 3.16Å
161D98.2Very high98.1Very high79 Ų7996.2 Ų96.242%0.42248%0.475SS..Hα-helixtrans-64.5-36.8-177.2-58-10.5000110.8R157 R158 D159 G165R157-D161 PolarHBondContact O-N 3.4Å; R157-D161 VanDerWaalsContact O-OD1 3.09Å; R158-D161 PolarHBondContact O-N 3.36Å; D159-D161 PolarHBondContact O-N 2.92Å; D161-G165 PolarHBondContact O-N 3.42Å
162K98.5Very high98.2Very high114 Ų11494.6 Ų94.650%0.49647%0.474SS..Hα-helixtrans-61.5-47.6170.8-72.4171.1-167.2160.20112.2R158 D159 R160 Q164 G165 F166R158-K162 VanDerWaalsContact O-CG 3.31Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 3.37Å; D159-K162 PolarHBondContact O-N 2.87Å; D159-K162 IonicContact OD1-NZ 2.8Å; D159-K162 PolarHBondContact OD1-NZ 3.36Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.38Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.45Å; K162-G165 PolarHBondContact O-N 3.36Å; K162-F166 HydrophobicContact CB-CD2 4.45Å; K162-F166 HydrophobicContact CB-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; K162-F166 PolarHBondContact O-N 2.95Å
163I98.4Very high98.3Very high98 Ų9893.7 Ų93.750%0.50347%0.473SS..Hα-helixtrans-61.1-44.1180-70.1165.8000110.2D159 R160 G165 F166 Q167D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 2.98Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-I163 VanDerWaalsContact O-N 3.16Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.47Å; I163-F166 PolarHBondContact O-N 3.01Å; I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.49Å; I163-Q167 PolarHBondContact O-N 2.87Å
164Q98.3Very high98.3Very high106 Ų10695.5 Ų95.550%0.49548%0.482SS..Hα-helixtrans-59.9-43.3174.9-72.1177.5-31.800111.7R160 K162 Q167 A168R160-Q164 WeakPolarHBondContact O-CG 3.1Å; R160-Q164 PolarHBondContact O-N 3.16Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.45Å; Q164-Q167 PolarHBondContact O-N 3.19Å; Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3Å
165G98.4Very high98.4Very high42 Ų4296.3 Ų96.343%0.43349%0.486SS..Hα-helixtrans-60.9-43.1174.100000113.2D161 K162 I163 K169D161-G165 PolarHBondContact O-N 3.42Å; K162-G165 PolarHBondContact O-N 3.36Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.47Å; G165-K169 WeakPolarHBondContact O-CB 3.39Å; G165-K169 PolarHBondContact O-N 2.85Å
166F98.3Very high98.4Very high148 Ų14896.9 Ų96.965%0.64950%0.496SS*.Hα-helixtrans-66.8-38.4176.3-75.3-58.8000112.8K162 I163 G170K162-F166 HydrophobicContact CB-CD2 4.45Å; K162-F166 HydrophobicContact CB-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; K162-F166 PolarHBondContact O-N 2.95Å; I163-F166 PolarHBondContact O-N 3.01Å; F166-G170 PolarHBondContact O-N 3.36Å
167Q98.2Very high98.4Very high130 Ų13095.2 Ų95.261%0.60749%0.494SS*.Hα-helixtrans-63-51.2175.8-77.1179.6-27.300111.2I163 Q164 K169 G170 E171I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.49Å; I163-Q167 PolarHBondContact O-N 2.87Å; Q164-Q167 PolarHBondContact O-N 3.19Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.22Å; Q167-G170 PolarHBondContact O-N 3.46Å; Q167-E171 WeakPolarHBondContact O-CB 3.48Å; Q167-E171 PolarHBondContact O-N 2.87Å
168A98.2Very high98.4Very high59 Ų5993.4 Ų93.449%0.48849%0.494SS..Hα-helixtrans-60.2-40.9178.600000111.9Q164 A172Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3Å; A168-A172 WeakPolarHBondContact O-CB 3.22Å; A168-A172 PolarHBondContact O-N 3.23Å
169K98.5Very high98.4Very high130 Ų13090 Ų9057%0.56549%0.49SS*.Hα-helixtrans-65.3-47.5175.5-175.8178.2177.8-1780112G165 Q167 E171 A172 D173G165-K169 WeakPolarHBondContact O-CB 3.39Å; G165-K169 PolarHBondContact O-N 2.85Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.22Å; K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 2.94Å; K169-A172 PolarHBondContact O-N 3.03Å; K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.23Å
170G98.4Very high98.4Very high29 Ų2993.3 Ų93.330%0.29950%0.502SS..Hα-helixtrans-60.8-40.417900000112.3F166 Q167 D173 I174F166-G170 PolarHBondContact O-N 3.36Å; Q167-G170 PolarHBondContact O-N 3.46Å; G170-D173 PolarHBondContact O-N 2.97Å; G170-I174 WeakPolarHBondContact O-CB 3.42Å; G170-I174 WeakPolarHBondContact O-CD1 3.46Å; G170-I174 VanDerWaalsContact O-CG1 3.22Å; G170-I174 WeakPolarHBondContact O-CG1 3.44Å; G170-I174 PolarHBondContact O-N 3.45Å
171E98.4Very high98.4Very high129 Ų12991.9 Ų91.960%0.60350%0.502SS*.Hα-helixtrans-62.9-46.6174.1-175.1172.1-169.100111.8Q167 K169 D173 I174 L175Q167-E171 WeakPolarHBondContact O-CB 3.48Å; Q167-E171 PolarHBondContact O-N 2.87Å; K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 2.94Å; E171-D173 PolarHBondContact O-N 3.1Å; E171-I174 PolarHBondContact O-N 3.37Å; E171-L175 HydrophobicContact CG-CD1 4.2Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å
172A98.5Very high98.5Very high55 Ų5593.6 Ų93.646%0.45551%0.508SS..Hα-helixtrans-61-43.2176.200000112.5A168 K169 L175 A176A168-A172 WeakPolarHBondContact O-CB 3.22Å; A168-A172 PolarHBondContact O-N 3.23Å; K169-A172 PolarHBondContact O-N 3.03Å; A172-L175 PolarHBondContact O-N 3.42Å; A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 2.9Å
173D98.6Very high98.5Very high96 Ų9693.7 Ų93.751%0.51351%0.51SS..Hα-helixtrans-63.4-41.1177.8-71.6-20.1000111.3K169 G170 E171 A177K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.23Å; G170-D173 PolarHBondContact O-N 2.97Å; E171-D173 PolarHBondContact O-N 3.1Å; D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.23Å
174I98.5Very high98.5Very high109 Ų10993.7 Ų93.756%0.55951%0.508SS*.Hα-helixtrans-65-46.7175.9-71.3166.1000110.8G170 E171 A176 A177 L178G170-I174 WeakPolarHBondContact O-CB 3.42Å; G170-I174 WeakPolarHBondContact O-CD1 3.46Å; G170-I174 VanDerWaalsContact O-CG1 3.22Å; G170-I174 WeakPolarHBondContact O-CG1 3.44Å; G170-I174 PolarHBondContact O-N 3.45Å; E171-I174 PolarHBondContact O-N 3.37Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.3Å; I174-A177 PolarHBondContact O-N 3Å; I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.33Å; I174-L178 PolarHBondContact O-N 3.46Å
175L98.6Very high98.5Very high96 Ų9697.5 Ų97.550%0.50352%0.518SS..Hα-helixtrans-61.2-43.8178.6-71.8172.7000111.3E171 A172 A177 L178 T179E171-L175 HydrophobicContact CG-CD1 4.2Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å; A172-L175 PolarHBondContact O-N 3.42Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.44Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 2.9Å; L175-T179 VanDerWaalsContact O-OG1 3.1Å
176A98.6Very high98.5Very high62 Ų62101.2 Ų101.251%0.51252%0.524SS..Hα-helixtrans-60.9-41.7175.500000112.2A172 I174 T179 K180A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 2.9Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.3Å; A176-T179 PolarHBondContact O-N 3.06Å; A176-K180 PolarHBondContact O-N 3.43Å
177A98.6Very high98.5Very high52 Ų52101.1 Ų101.143%0.4352%0.52SS..Hα-helixtrans-63.8-41.8175.300000112D173 I174 L175 K180 L181D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.23Å; I174-A177 PolarHBondContact O-N 3Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.44Å; A177-K180 PolarHBondContact O-N 3.36Å; A177-L181 WeakPolarHBondContact O-CG 3.47Å; A177-L181 PolarHBondContact O-N 3.07Å
178L98.7Very high98.5Very high96 Ų9699.4 Ų99.450%0.50351%0.514SS..Hα-helixtrans-63.3-42.6176.2-72.7171.9000112I174 L175 K180 L181 Q182I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.33Å; I174-L178 PolarHBondContact O-N 3.46Å; L175-L178 PolarHBondContact O-N 2.92Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; L178-L181 PolarHBondContact O-N 2.96Å; L178-Q182 PolarHBondContact O-N 3.41Å
179T98.6Very high98.5Very high75 Ų75101.3 Ų101.346%0.4652%0.52SS..Hα-helixtrans-59-46.3174.5-58.90000111L175 A176 L181 Q182 E183L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 2.9Å; L175-T179 VanDerWaalsContact O-OG1 3.1Å; A176-T179 PolarHBondContact O-N 3.06Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.45Å; T179-Q182 WeakPolarHBondContact O-CA 3.39Å; T179-Q182 WeakPolarHBondContact O-CB 3.5Å; T179-Q182 PolarHBondContact O-N 3.27Å; T179-Q182 VanDerWaalsContact O-N 3.07Å; T179-E183 WeakPolarHBondContact O-CG 3.26Å; T179-E183 PolarHBondContact O-N 3.33Å
180K98.6Very high98.5Very high132 Ų13297.6 Ų97.657%0.57451%0.513SS*.Hα-helixtrans-61.1-41.4177.3-170.9176-177179.10112.5A176 A177 L178 Q182 E183 Q184A176-K180 PolarHBondContact O-N 3.43Å; A177-K180 PolarHBondContact O-N 3.36Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.98Å; K180-E183 PolarHBondContact O-N 3.5Å; K180-Q184 WeakPolarHBondContact O-CG 3.26Å; K180-Q184 PolarHBondContact O-N 3.28Å
181L98.6Very high98.5Very high92 Ų92100.4 Ų100.448%0.48252%0.519SS..Hα-helixtrans-62.9-37174.4-71.3174.1000111.7A177 L178 T179 Q184 R185A177-L181 WeakPolarHBondContact O-CG 3.47Å; A177-L181 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 2.96Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.45Å; L181-Q184 PolarHBondContact O-N 3.16Å; L181-R185 VanDerWaalsContact O-CG 3.3Å; L181-R185 WeakPolarHBondContact O-CG 3.32Å; L181-R185 PolarHBondContact O-N 2.07Å
182Q98.6Very high98.5Very high116 Ų11699.3 Ų99.354%0.54251%0.512SS..Hα-helixtrans-67.5-42.1176.1-176.3175.4-16.800112.2L178 T179 K180 R185 Q186L178-Q182 PolarHBondContact O-N 3.41Å; T179-Q182 WeakPolarHBondContact O-CA 3.39Å; T179-Q182 WeakPolarHBondContact O-CB 3.5Å; T179-Q182 PolarHBondContact O-N 3.27Å; T179-Q182 VanDerWaalsContact O-N 3.07Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.98Å; Q182-R185 WeakPolarHBondContact O-CB 3.39Å; Q182-R185 PolarHBondContact O-N 3.47Å; Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 3.23Å
183E98.5Very high98.5Very high116 Ų116103 Ų10354%0.54252%0.518SS..Hα-helixtrans-60.1-45.8173.5-70.4171.9176.900111.4T179 K180 R185 Q186 Y187T179-E183 WeakPolarHBondContact O-CG 3.26Å; T179-E183 PolarHBondContact O-N 3.33Å; K180-E183 PolarHBondContact O-N 3.5Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 2.98Å; E183-Q186 PolarHBondContact O-N 2.96Å; E183-Y187 WeakPolarHBondContact O-CB 3.34Å; E183-Y187 PolarHBondContact O-N 2.79Å
184Q98.5Very high98.5Very high97 Ų97104.7 Ų104.745%0.45352%0.522SS..Hα-helixtrans-60.6-40.9175.7-72.5177.8-38.400112K180 L181 Y187 I188K180-Q184 WeakPolarHBondContact O-CG 3.26Å; K180-Q184 PolarHBondContact O-N 3.28Å; L181-Q184 PolarHBondContact O-N 3.16Å; Q184-Y187 PolarHBondContact O-N 3.32Å; Q184-I188 VanDerWaalsContact O-CG1 3.26Å; Q184-I188 WeakPolarHBondContact O-CG1 3.3Å; Q184-I188 PolarHBondContact O-N 2.99Å
185R98.7Very high98.4Very high186 Ų186101 Ų10170%0.70251%0.512SS*.Hα-helixtrans-60-45.8174-76.8173.8177.1-142.70.4111.8L181 Q182 E183 Y187 I188 V189L181-R185 VanDerWaalsContact O-CG 3.3Å; L181-R185 WeakPolarHBondContact O-CG 3.32Å; L181-R185 PolarHBondContact O-N 2.07Å; Q182-R185 WeakPolarHBondContact O-CB 3.39Å; Q182-R185 PolarHBondContact O-N 3.47Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 2.98Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-I188 PolarHBondContact O-N 2.87Å; R185-V189 WeakPolarHBondContact O-CG2 3.26Å; R185-V189 PolarHBondContact O-N 3.27Å; R185-V189 VanDerWaalsContact O-N 3.08Å
186Q98.6Very high98.3Very high121 Ų121102.3 Ų102.357%0.56552%0.515SS*.Hα-helixtrans-63.3-42177.9-71.1176.2-1.100111.5Q182 E183 V189 A190Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 3.23Å; E183-Q186 PolarHBondContact O-N 2.96Å; Q186-V189 PolarHBondContact O-N 3.27Å; Q186-A190 WeakPolarHBondContact O-CB 3.43Å; Q186-A190 PolarHBondContact O-N 3.35Å
187Y98.5Very high98.3Very high145 Ų145104 Ų10457%0.56951%0.512SS*.Hα-helixtrans-59.3-49.4175.7-175.5-94000111.5E183 Q184 R185 V189 A190 E191E183-Y187 WeakPolarHBondContact O-CB 3.34Å; E183-Y187 PolarHBondContact O-N 2.79Å; Q184-Y187 PolarHBondContact O-N 3.32Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 2.94Å; Y187-A190 PolarHBondContact O-N 3.33Å; Y187-A190 VanDerWaalsContact O-N 3.13Å; Y187-E191 HydrophobicContact CD1-CG 3.9Å; Y187-E191 HydrophobicContact CE1-CG 3.43Å; Y187-E191 VanDerWaalsContact CE1-CG 3.43Å; Y187-E191 HydrophobicContact CE2-CG 4.22Å; Y187-E191 HydrophobicContact CG-CG 4.45Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.19Å; Y187-E191 PolarHBondContact OH-OE2 2.98Å
188I98.1Very high98.3Very high94 Ų94107.1 Ų107.148%0.48252%0.516SS..Hα-helixtrans-54.5-50.6176.2-69.2163.9000110.5Q184 R185 A190 E191 F192Q184-I188 VanDerWaalsContact O-CG1 3.26Å; Q184-I188 WeakPolarHBondContact O-CG1 3.3Å; Q184-I188 PolarHBondContact O-N 2.99Å; R185-I188 PolarHBondContact O-N 2.87Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.13Å; I188-E191 PolarHBondContact O-N 3.41Å; I188-F192 HydrophobicContact CG2-CD2 3.84Å; I188-F192 HydrophobicContact CG2-CE2 4.03Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.41Å
189V98.6Very high98.2Very high100 Ų100106 Ų10661%0.60651%0.51SS*.Hα-helixtrans-60.4-40179.8172.40000111.7R185 Q186 Y187 K193R185-V189 WeakPolarHBondContact O-CG2 3.26Å; R185-V189 PolarHBondContact O-N 3.27Å; R185-V189 VanDerWaalsContact O-N 3.08Å; Q186-V189 PolarHBondContact O-N 3.27Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 2.94Å; V189-K193 VanDerWaalsContact O-CB 3.25Å; V189-K193 WeakPolarHBondContact O-CB 3.4Å; V189-K193 PolarHBondContact O-N 2.94Å
190A98.6Very high98.2Very high51 Ų51109.6 Ų109.642%0.42152%0.52SS..Hα-helixtrans-66.4-47179.400000112.4Q186 Y187 I188 F192 K193 Q194Q186-A190 WeakPolarHBondContact O-CB 3.43Å; Q186-A190 PolarHBondContact O-N 3.35Å; Y187-A190 PolarHBondContact O-N 3.33Å; Y187-A190 VanDerWaalsContact O-N 3.13Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.13Å; A190-F192 PolarHBondContact O-N 3.37Å; A190-K193 WeakPolarHBondContact O-CB 3.3Å; A190-K193 PolarHBondContact O-N 2.93Å; A190-Q194 PolarHBondContact O-N 3.42Å
191E97.7Very high98.2Very high89 Ų89110.6 Ų110.642%0.41652%0.524SS..Hα-helixtrans-60.3-47.1178.3-69.6-65.195.800111.2Y187 I188 K193 Q194 G195Y187-E191 HydrophobicContact CD1-CG 3.9Å; Y187-E191 HydrophobicContact CE1-CG 3.43Å; Y187-E191 VanDerWaalsContact CE1-CG 3.43Å; Y187-E191 HydrophobicContact CE2-CG 4.22Å; Y187-E191 HydrophobicContact CG-CG 4.45Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.19Å; Y187-E191 PolarHBondContact OH-OE2 2.98Å; I188-E191 PolarHBondContact O-N 3.41Å; E191-K193 PolarHBondContact O-N 3.4Å; E191-Q194 PolarHBondContact O-N 2.99Å; E191-G195 PolarHBondContact O-N 3.33Å
192F97.9Very high98.1Very high106 Ų106112.3 Ų112.347%0.46552%0.524SS..Hα-helixtrans-65.1-38.7177-86.5-80.4000112.2I188 A190 Q194 G195 H196I188-F192 HydrophobicContact CG2-CD2 3.84Å; I188-F192 HydrophobicContact CG2-CE2 4.03Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.41Å; A190-F192 PolarHBondContact O-N 3.37Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 3.47Å; F192-G195 PolarHBondContact O-N 3.31Å; F192-H196 WeakPolarHBondContact O-CB 3.46Å; F192-H196 PolarHBondContact O-CD2 3.34Å; F192-H196 VanDerWaalsContact O-CG 3.31Å; F192-H196 PolarHBondContact O-N 3.23Å
193K98.5Very high98.1Very high133 Ų133112.8 Ų112.858%0.57853%0.527SS*.Hα-helixtrans-59.4-45.5174.8-178.9-178.8179.4-178.10111.3V189 A190 E191 H196 Q197V189-K193 VanDerWaalsContact O-CB 3.25Å; V189-K193 WeakPolarHBondContact O-CB 3.4Å; V189-K193 PolarHBondContact O-N 2.94Å; A190-K193 WeakPolarHBondContact O-CB 3.3Å; A190-K193 PolarHBondContact O-N 2.93Å; E191-K193 PolarHBondContact O-N 3.4Å; K193-H196 PolarHBondContact O-N 3.47Å; K193-Q197 WeakPolarHBondContact O-CB 3.41Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.46Å; K193-Q197 PolarHBondContact O-N 3.2Å
194Q98.2Very high98.1Very high130 Ų130112 Ų11261%0.60752%0.523SS*.Hα-helixtrans-63.6-44.7176.9-174.4177.42.900111.4A190 E191 F192 Q197 F198A190-Q194 PolarHBondContact O-N 3.42Å; E191-Q194 PolarHBondContact O-N 2.99Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 3.47Å; Q194-Q197 PolarHBondContact O-N 2.94Å; Q194-F198 WeakPolarHBondContact O-CB 3.25Å; Q194-F198 PolarHBondContact O-N 3.3Å
195G96.5Very high98Very high33 Ų33111.2 Ų111.234%0.3452%0.519SS..Hα-helixtrans-58.1-48.6175.500000112.8E191 F192 Q197 F198 L199E191-G195 PolarHBondContact O-N 3.33Å; F192-G195 PolarHBondContact O-N 3.31Å; G195-Q197 PolarHBondContact O-N 2.98Å; G195-F198 PolarHBondContact O-N 3.45Å; G195-L199 WeakPolarHBondContact O-CG 3.35Å; G195-L199 PolarHBondContact O-N 2.93Å
196H98.3Very high97.9Very high123 Ų123103.9 Ų103.957%0.56949%0.494SS*.Hα-helixtrans-61.2-42.8176.6-72-50.5000112.4F192 K193 F198 L199 K200F192-H196 WeakPolarHBondContact O-CB 3.46Å; F192-H196 PolarHBondContact O-CD2 3.34Å; F192-H196 VanDerWaalsContact O-CG 3.31Å; F192-H196 PolarHBondContact O-N 3.23Å; K193-H196 PolarHBondContact O-N 3.47Å; H196-F198 PolarHBondContact O-N 3.24Å; H196-L199 PolarHBondContact O-N 3.49Å; H196-K200 VanDerWaalsContact O-CB 3.31Å; H196-K200 WeakPolarHBondContact O-CB 3.39Å; H196-K200 PolarHBondContact O-N 3.35Å
197Q98.5Very high97.9Very high97 Ų97102.3 Ų102.345%0.45349%0.489SS..Hα-helixtrans-63.4-41.4176.9-74.71794.400112.2K193 Q194 G195 K201K193-Q197 WeakPolarHBondContact O-CB 3.41Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.46Å; K193-Q197 PolarHBondContact O-N 3.2Å; Q194-Q197 PolarHBondContact O-N 2.94Å; G195-Q197 PolarHBondContact O-N 2.98Å; Q197-K201 WeakPolarHBondContact O-CB 3.27Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.36Å; Q197-K201 PolarHBondContact O-N 3.07Å
198F97.7Very high97.9Very high117 Ų11799.1 Ų99.151%0.51348%0.481SS..Hα-helixtrans-60.8-49175.6172.1-93.8000111.5Q194 G195 H196 K201 R202Q194-F198 WeakPolarHBondContact O-CB 3.25Å; Q194-F198 PolarHBondContact O-N 3.3Å; G195-F198 PolarHBondContact O-N 3.45Å; H196-F198 PolarHBondContact O-N 3.24Å; F198-K201 PolarHBondContact O-N 3.08Å; F198-R202 PolarHBondContact O-N 3.32Å
199L97Very high97.8Very high72 Ų7297.2 Ų97.238%0.37747%0.47SS..Hα-helixtrans-62-46.9179.5-70.5174.6000111.5G195 H196 K201 R202 E203 L303G195-L199 WeakPolarHBondContact O-CG 3.35Å; G195-L199 PolarHBondContact O-N 2.93Å; H196-L199 PolarHBondContact O-N 3.49Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.93Å; L199-R202 PolarHBondContact O-N 3.19Å; L199-R202 VanDerWaalsContact O-N 3.1Å; L199-E203 WeakPolarHBondContact O-CB 3.33Å; L199-E203 PolarHBondContact O-N 3.39Å; L199-L303 HydrophobicContact CD2-CD2 4.14Å
200K98.5Very high97.6Very high152 Ų15295.4 Ų95.466%0.66146%0.457SS*.Hα-helixtrans-57.9-44.1177.1-175.9175.2-178175.30112.3H196 R202 E203 Q204H196-K200 VanDerWaalsContact O-CB 3.31Å; H196-K200 WeakPolarHBondContact O-CB 3.39Å; H196-K200 PolarHBondContact O-N 3.35Å; K200-R202 VanDerWaalsContact C-N 3.33Å; K200-R202 PolarHBondContact O-N 3.43Å; K200-E203 PolarHBondContact O-N 2.96Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.27Å
201K98.4Very high97.6Very high152 Ų15295.3 Ų95.366%0.66146%0.456SS*.Hα-helixtrans-63.3-38.9176.6-75.3177.4-178.3-178.70112Q197 F198 L199 H205Q197-K201 WeakPolarHBondContact O-CB 3.27Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.36Å; Q197-K201 PolarHBondContact O-N 3.07Å; F198-K201 PolarHBondContact O-N 3.08Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.93Å; K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.87Å
202R96.6Very high97.5Very high129 Ų12994.7 Ų94.749%0.48746%0.459SS..Hα-helixtrans-73.5-36.9-179.3-161.264.264.8178.26.5112.2F198 L199 K200 L206F198-R202 PolarHBondContact O-N 3.32Å; L199-R202 PolarHBondContact O-N 3.19Å; L199-R202 VanDerWaalsContact O-N 3.1Å; K200-R202 VanDerWaalsContact C-N 3.33Å; K200-R202 PolarHBondContact O-N 3.43Å; R202-L206 WeakPolarHBondContact O-CG 3.24Å; R202-L206 PolarHBondContact O-N 3.32Å
203E97.8Very high97.3Very high126 Ų12690.4 Ų90.459%0.58944%0.44SS*.Hα-helixtrans-59.4-54.7170.9178.3178.1-156.400110.9L199 K200 H205 L206 L207L199-E203 WeakPolarHBondContact O-CB 3.33Å; L199-E203 PolarHBondContact O-N 3.39Å; K200-E203 PolarHBondContact O-N 2.96Å; E203-H205 VanDerWaalsContact C-N 3.29Å; E203-H205 PolarHBondContact O-N 3.17Å; E203-L206 PolarHBondContact O-N 3.49Å; E203-L206 VanDerWaalsContact O-N 3.07Å; E203-L207 HydrophobicContact CG-CD1 4.19Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.46Å
204Q98.5Very high97.2Very high98 Ų9890 Ų9046%0.45844%0.441SS..Hα-helixtrans-57.2-43.5178.7-17163.144.500111.7K200 L206 L207 D208K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.27Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.48Å; Q204-L207 PolarHBondContact O-N 3.24Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 PolarHBondContact O-N 2.93Å
205H97.7Very high97.1Very high81 Ų8189.3 Ų89.338%0.37544%0.437SS..Hα-helixtrans-57.9-39177.6177.768.3000113.3K201 E203 Q209K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.87Å; E203-H205 VanDerWaalsContact C-N 3.29Å; E203-H205 PolarHBondContact O-N 3.17Å; H205-Q209 PolarHBondContact CE1-NE2 3.01Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.32Å; H205-Q209 PolarHBondContact NE2-NE2 3.46Å; H205-Q209 WeakPolarHBondContact O-CG 3.47Å; H205-Q209 PolarHBondContact O-N 2.92Å
206L96.7Very high96.9Very high33 Ų3390.5 Ų90.517%0.17344%0.436CS..Hα-helixtrans-70.9-40.7177.2-70.2171000111.4R202 E203 Q204 Q209 L210 F292 L299R202-L206 WeakPolarHBondContact O-CG 3.24Å; R202-L206 PolarHBondContact O-N 3.32Å; E203-L206 PolarHBondContact O-N 3.49Å; E203-L206 VanDerWaalsContact O-N 3.07Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.48Å; L206-Q209 PolarHBondContact O-N 2.83Å; L206-L210 PolarHBondContact O-N 3.02Å; L206-L210 VanDerWaalsContact O-N 3.1Å; L206-F292 HydrophobicContact CD2-CE1 4.28Å; L206-L299 HydrophobicContact CD1-CD2 3.91Å
207L98.1Very high96.7Very high88 Ų8888 Ų8846%0.46143%0.426SS..Hα-helixtrans-62.7-43.8175.9-66.8173.7000111.7E203 Q204 Q209 L210 A211E203-L207 HydrophobicContact CG-CD1 4.19Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.46Å; Q204-L207 PolarHBondContact O-N 3.24Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.99Å; L207-L210 WeakPolarHBondContact O-CB 3.19Å; L207-L210 PolarHBondContact O-N 3.37Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L207-A211 PolarHBondContact O-N 3.47Å
208D98.1Very high96.5Very high78 Ų7886.6 Ų86.642%0.41742%0.424SS..Hα-helixtrans-62.4-38.7178.2-64.8-20.9000111.9Q204 A211 T212Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 PolarHBondContact O-N 2.93Å; D208-A211 PolarHBondContact O-N 3.5Å; D208-T212 PolarHBondContact O-N 3.29Å; D208-T212 PolarHBondContact O-OG1 2.89Å
209Q95.6Very high96.3Very high54 Ų5484.8 Ų84.825%0.25242%0.418SS..Hα-helixtrans-67.1-36.3175.4-72.1-179-15.200112.2H205 L206 L207 T212 L213 F292 K295H205-Q209 PolarHBondContact CE1-NE2 3.01Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.32Å; H205-Q209 PolarHBondContact NE2-NE2 3.46Å; H205-Q209 WeakPolarHBondContact O-CG 3.47Å; H205-Q209 PolarHBondContact O-N 2.92Å; L206-Q209 PolarHBondContact O-N 2.83Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.99Å; Q209-T212 WeakPolarHBondContact O-CB 3.36Å; Q209-T212 PolarHBondContact O-N 2.9Å; Q209-L213 PolarHBondContact O-N 3.29Å; Q209-F292 HydrophobicContact CB-CE1 4.27Å; Q209-F292 HydrophobicContact CB-CE2 4.05Å; Q209-F292 HydrophobicContact CB-CZ 3.35Å; Q209-F292 HydrophobicContact CG-CZ 4.25Å; Q209-K295 VanDerWaalsContact OE1-NZ 3.09Å
210L96Very high96Very high62 Ų6282.2 Ų82.233%0.32541%0.408SS..Hα-helixtrans-67-46.1173.5-74174.1000111.2L206 L207 T212 L213 E214 F292L206-L210 PolarHBondContact O-N 3.02Å; L206-L210 VanDerWaalsContact O-N 3.1Å; L207-L210 WeakPolarHBondContact O-CB 3.19Å; L207-L210 PolarHBondContact O-N 3.37Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L210-T212 PolarHBondContact O-N 3.5Å; L210-L213 WeakPolarHBondContact O-CA 3.49Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.38Å; L210-E214 WeakPolarHBondContact O-CG 3.49Å; L210-E214 PolarHBondContact O-N 3.38Å; L210-F292 HydrophobicContact CD2-CD1 3.69Å; L210-F292 HydrophobicContact CD2-CD2 4.46Å; L210-F292 HydrophobicContact CD2-CE1 3.96Å; L210-F292 HydrophobicContact CD2-CG 3.98Å; L210-F292 HydrophobicContact CD2-CZ 4.47Å; L210-F292 HydrophobicContact CG-CD1 4.15Å; L210-F292 HydrophobicContact CG-CE1 3.97Å
211A97.5Very high95.7Very high49 Ų4982.3 Ų82.341%0.40540%0.404SS..Hα-helixtrans-56.3-39175.500000111.8L207 D208 L213 E214 Q215L207-A211 PolarHBondContact O-N 3.47Å; D208-A211 PolarHBondContact O-N 3.5Å; A211-L213 PolarHBondContact O-N 3.41Å; A211-E214 PolarHBondContact O-N 3.49Å; A211-Q215 WeakPolarHBondContact O-CB 3.44Å; A211-Q215 PolarHBondContact O-N 2.95Å
212T95.8Very high95.4Very high76 Ų7678.8 Ų78.847%0.46639%0.39SS..Hα-helixtrans-62.4-41173.9-55.90000112.1D208 Q209 L210 L216D208-T212 PolarHBondContact O-N 3.29Å; D208-T212 PolarHBondContact O-OG1 2.89Å; Q209-T212 WeakPolarHBondContact O-CB 3.36Å; Q209-T212 PolarHBondContact O-N 2.9Å; L210-T212 PolarHBondContact O-N 3.5Å; T212-L216 HydrophobicContact CG2-CD1 4.5Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.1Å
213L93.8Very high95.2Very high15 Ų1579.2 Ų79.28%0.07940%0.395CS..Hα-helixtrans-68.5-40176.9-71.9175.1000112Q209 L210 A211 L216 L217 V285 K288 F292Q209-L213 PolarHBondContact O-N 3.29Å; L210-L213 WeakPolarHBondContact O-CA 3.49Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.38Å; A211-L213 PolarHBondContact O-N 3.41Å; L213-L216 PolarHBondContact O-N 3.05Å; L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 3.01Å; L213-V285 HydrophobicContact CD2-CG1 4.42Å; L213-K288 HydrophobicContact CD1-CB 4.2Å; L213-K288 HydrophobicContact CD2-CB 3.77Å; L213-K288 HydrophobicContact CD2-CD 3.71Å; L213-K288 HydrophobicContact CD2-CG 4.41Å; L213-F292 HydrophobicContact CD1-CD2 3.46Å; L213-F292 VanDerWaalsContact CD1-CD2 3.46Å; L213-F292 HydrophobicContact CD1-CE2 3.6Å; L213-F292 HydrophobicContact CD1-CG 4.41Å
214E95.5Very high94.8Very high125 Ų12576.4 Ų76.458%0.58438%0.382SS*.Hα-helixtrans-62.3-42.3175-71176.7170.500111.7L210 A211 L217 T218L210-E214 WeakPolarHBondContact O-CG 3.49Å; L210-E214 PolarHBondContact O-N 3.38Å; A211-E214 PolarHBondContact O-N 3.49Å; E214-L217 PolarHBondContact O-N 3.47Å; E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 2.88Å
215Q95.8Very high94.5Very high115 Ų11578.1 Ų78.154%0.53739%0.387SS..Hα-helixtrans-61.4-47.1174.3-176.1179.8-8.700111.2A211 L217 T218 E219A211-Q215 WeakPolarHBondContact O-CB 3.44Å; A211-Q215 PolarHBondContact O-N 2.95Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; Q215-T218 PolarHBondContact O-N 2.9Å; Q215-T218 VanDerWaalsContact O-N 3.11Å; Q215-E219 HydrophobicContact CG-CG 4.44Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.03Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3.39Å
216L93.9Very high94.2Very high58 Ų5878.1 Ų78.130%0.30439%0.393SS..Hα-helixtrans-60.3-37.2177.5-74.5172.1000112.8T212 L213 G220 M284 V285T212-L216 HydrophobicContact CG2-CD1 4.5Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.1Å; L213-L216 PolarHBondContact O-N 3.05Å; L216-G220 PolarHBondContact O-N 3.32Å; L216-M284 HydrophobicContact CD1-CE 4.46Å; L216-V285 HydrophobicContact CB-CG2 4.39Å
217L93.6Very high93.9Very high71 Ų7183.1 Ų83.137%0.37241%0.41SS..Hα-helixtrans-67.6-42.5173.9-75170.7000111.8L213 E214 Q215 G220 R221 I281 V285L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 3.01Å; E214-L217 PolarHBondContact O-N 3.47Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; L217-G220 PolarHBondContact O-N 3.27Å; L217-R221 WeakPolarHBondContact O-CB 3.27Å; L217-R221 PolarHBondContact O-N 3.36Å; L217-I281 HydrophobicContact CD2-CG1 4.26Å; L217-I281 HydrophobicContact CD2-CG2 3.89Å; L217-V285 HydrophobicContact CD1-CG1 4.25Å; L217-V285 HydrophobicContact CD2-CB 4.44Å; L217-V285 HydrophobicContact CD2-CG1 3.54Å; L217-V285 HydrophobicContact CG-CG1 3.72Å
218T94.7Very high93.4Very high68 Ų6879.9 Ų79.942%0.41740%0.398SS..Hα-helixtrans-65.2-47.7-179.3-57.70000110.9E214 Q215 G220 R221 E222E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 2.88Å; Q215-T218 PolarHBondContact O-N 2.9Å; Q215-T218 VanDerWaalsContact O-N 3.11Å; T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.42Å; T218-R221 WeakPolarHBondContact O-CB 3.31Å; T218-R221 PolarHBondContact O-N 2.9Å; T218-E222 PolarHBondContact O-N 2.97Å; T218-E222 VanDerWaalsContact O-N 3.11Å
219E92.6Very high93.2Very high79 Ų7979.5 Ų79.537%0.36940%0.398SS..Hα-helixtrans-62.6-41.1174-69.5176.6-165.200112.1Q215 R221 E222 K223Q215-E219 HydrophobicContact CG-CG 4.44Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.03Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3.39Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.03Å; E219-E222 PolarHBondContact O-N 3.32Å; E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 3.46Å
220G91.4Very high93Very high17 Ų1780.4 Ų80.418%0.17541%0.41CS..Hα-helixtrans-59.6-41.7174.700000112.2L216 L217 T218 K223 F224L216-G220 PolarHBondContact O-N 3.32Å; L217-G220 PolarHBondContact O-N 3.27Å; T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.42Å; G220-K223 PolarHBondContact O-N 3.3Å; G220-F224 VanDerWaalsContact O-CB 3.31Å; G220-F224 WeakPolarHBondContact O-CB 3.42Å; G220-F224 PolarHBondContact O-N 3.16Å
221R92.3Very high92.6Very high154 Ų15480.4 Ų80.458%0.58141%0.409SS*.Hα-helixtrans-62.5-47.2177.4-174.1-173.672.4-167.1-0.2111.7L217 T218 E219 F224 K225L217-R221 WeakPolarHBondContact O-CB 3.27Å; L217-R221 PolarHBondContact O-N 3.36Å; T218-R221 WeakPolarHBondContact O-CB 3.31Å; T218-R221 PolarHBondContact O-N 2.9Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.03Å; R221-F224 PolarHBondContact O-N 2.87Å; R221-K225 WeakPolarHBondContact O-CB 3.33Å; R221-K225 PolarHBondContact O-N 2.85Å
222E92.8Very high92.3Very high78 Ų7883.4 Ų83.436%0.36442%0.417SS..Hα-helixtrans-65.4-40.4179.4-62.1-47.1131.100111.8T218 E219 F224 K225 T226T218-E222 PolarHBondContact O-N 2.97Å; T218-E222 VanDerWaalsContact O-N 3.11Å; E219-E222 PolarHBondContact O-N 3.32Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.81Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 WeakPolarHBondContact O-CG2 3.37Å; E222-T226 PolarHBondContact O-N 2.85Å; E222-T226 PolarHBondContact O-OG1 3.21Å
223K90.8Very high92.1Very high138 Ų13884.4 Ų84.460%0.642%0.42SS*.Hα-helixtrans-62.5-39.1173-71.6172.1-175.9168.50112.4E219 G220 T226 R227E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 3.46Å; G220-K223 PolarHBondContact O-N 3.3Å; K223-T226 WeakPolarHBondContact CA-OG1 3.47Å; K223-T226 PolarHBondContact O-OG1 3Å; K223-R227 VanDerWaalsContact O-CB 3.31Å; K223-R227 WeakPolarHBondContact O-CB 3.31Å; K223-R227 PolarHBondContact O-N 3.05Å
224F90.5Very high91.9Very high68 Ų6887.7 Ų87.730%0.29843%0.431SS..Hα-helixtrans-67.5-43.9177.3-168.7-87.5000111.4G220 R221 E222 G228 W276 G278 A280G220-F224 VanDerWaalsContact O-CB 3.31Å; G220-F224 WeakPolarHBondContact O-CB 3.42Å; G220-F224 PolarHBondContact O-N 3.16Å; R221-F224 PolarHBondContact O-N 2.87Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.81Å; F224-G228 PolarHBondContact O-N 3.39Å; F224-W276 AromaticContact CD1-CH2 3.93Å; F224-W276 HydrophobicContact CD1-CH2 3.93Å; F224-W276 AromaticContact CD2-CH2 3.15Å; F224-W276 HydrophobicContact CD2-CH2 3.15Å; F224-W276 AromaticContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ3 4.25Å; F224-W276 AromaticContact CE1-CH2 3.72Å; F224-W276 HydrophobicContact CE1-CH2 3.72Å; F224-W276 AromaticContact CE1-CZ3 3.96Å; F224-W276 HydrophobicContact CE1-CZ3 3.96Å; F224-W276 AromaticContact CE2-CH2 2.91Å; F224-W276 HydrophobicContact CE2-CH2 2.91Å; F224-W276 AromaticContact CE2-CZ2 3.41Å; F224-W276 HydrophobicContact CE2-CZ2 3.41Å; F224-W276 VanDerWaalsContact CE2-CZ2 3.41Å; F224-W276 AromaticContact CE2-CZ3 3.66Å; F224-W276 HydrophobicContact CE2-CZ3 3.66Å; F224-W276 AromaticContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CZ2 4.35Å; F224-W276 AromaticContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CZ2 4.14Å; F224-W276 AromaticContact CZ-CZ3 3.49Å; F224-W276 HydrophobicContact CZ-CZ3 3.49Å; F224-W276 VanDerWaalsContact CZ-CZ3 3.49Å; F224-G278 WeakPolarHBondContact CE2-O 3.31Å; F224-A280 HydrophobicContact CD1-CB 4.5Å; F224-A280 VanDerWaalsContact CD2-CA 3.48Å; F224-A280 HydrophobicContact CD2-CB 4.03Å; F224-A280 HydrophobicContact CE1-CB 4.28Å; F224-A280 HydrophobicContact CE2-CB 3.77Å; F224-A280 HydrophobicContact CG-CB 4.39Å; F224-A280 HydrophobicContact CZ-CB 3.92Å
225K91.9Very high91.5Very high133 Ų13384.1 Ų84.158%0.57842%0.416SS*.Hα-helixtrans-62.7-52.5178.2-177-177.3176.6-173.40111.9R221 E222 R227 G228 V229R221-K225 WeakPolarHBondContact O-CB 3.33Å; R221-K225 PolarHBondContact O-N 2.85Å; E222-K225 PolarHBondContact O-N 3.48Å; K225-R227 VanDerWaalsContact C-N 3.34Å; K225-R227 PolarHBondContact O-N 3.07Å; K225-G228 PolarHBondContact O-N 3.08Å; K225-G228 VanDerWaalsContact O-N 3.16Å; K225-V229 WeakPolarHBondContact O-CG2 3.33Å; K225-V229 PolarHBondContact O-N 3.3Å
226T92.1Very high91.4Very high81 Ų8182.6 Ų82.650%0.49741%0.414SS..Hα-helixtrans-57.4-46.3179.546.50000111.7E222 K223 G228 V229 S230E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 WeakPolarHBondContact O-CG2 3.37Å; E222-T226 PolarHBondContact O-N 2.85Å; E222-T226 PolarHBondContact O-OG1 3.21Å; K223-T226 WeakPolarHBondContact CA-OG1 3.47Å; K223-T226 PolarHBondContact O-OG1 3Å; T226-G228 PolarHBondContact O-N 3.15Å; T226-V229 PolarHBondContact O-N 3.29Å; T226-S230 PolarHBondContact O-N 3Å; T226-S230 VanDerWaalsContact O-N 3.08Å; T226-S230 PolarHBondContact O-OG 3.49Å
227R89Confident91.3Very high138 Ų13885 Ų8552%0.52143%0.427SS..Hα-helixtrans-63.4-39.2176.6-169.6173.3-174.3169.63.1113K223 K225 S230 E231K223-R227 VanDerWaalsContact O-CB 3.31Å; K223-R227 WeakPolarHBondContact O-CB 3.31Å; K223-R227 PolarHBondContact O-N 3.05Å; K225-R227 VanDerWaalsContact C-N 3.34Å; K225-R227 PolarHBondContact O-N 3.07Å; R227-S230 PolarHBondContact O-N 3.24Å; R227-E231 PolarHBondContact O-N 3.07Å; R227-E231 VanDerWaalsContact O-N 3.11Å
228G89.1Confident91.1Very high20 Ų2083 Ų8321%0.20642%0.418CS..Hα-helixtrans-62.4-45.117600000112.6F224 K225 T226 E231 L232F224-G228 PolarHBondContact O-N 3.39Å; K225-G228 PolarHBondContact O-N 3.08Å; K225-G228 VanDerWaalsContact O-N 3.16Å; T226-G228 PolarHBondContact O-N 3.15Å; G228-E231 PolarHBondContact O-N 3.24Å; G228-L232 WeakPolarHBondContact O-CG 3.42Å; G228-L232 PolarHBondContact O-N 3.46Å
229V92.5Very high90.9Very high71 Ų7184 Ų8443%0.4342%0.42SS..Hα-helixtrans-59-49.3175.11730000110.7K225 T226 E231 L232 D233K225-V229 WeakPolarHBondContact O-CG2 3.33Å; K225-V229 PolarHBondContact O-N 3.3Å; T226-V229 PolarHBondContact O-N 3.29Å; V229-E231 VanDerWaalsContact C-N 3.29Å; V229-E231 PolarHBondContact O-N 2.96Å; V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.37Å; V229-L232 VanDerWaalsContact O-N 3.07Å; V229-D233 VanDerWaalsContact O-CG 3.3Å; V229-D233 PolarHBondContact O-N 3.44Å
230S90.9Very high90.9Very high73 Ų7383.3 Ų83.351%0.5142%0.424SS..Hα-helixtrans-60-36.3179.1-560000113.7T226 R227 R234T226-S230 PolarHBondContact O-N 3Å; T226-S230 VanDerWaalsContact O-N 3.08Å; T226-S230 PolarHBondContact O-OG 3.49Å; R227-S230 PolarHBondContact O-N 3.24Å; S230-R234 WeakPolarHBondContact O-CB 3.42Å; S230-R234 PolarHBondContact O-N 3.5Å; S230-R234 VanDerWaalsContact O-N 3.1Å
231E88.6Confident90.8Very high61 Ų6186.5 Ų86.529%0.28543%0.434SS..Hα-helixtrans-72.2-36.6174.9-74.3-62.9154.300112.4R227 G228 V229 R234 L235R227-E231 PolarHBondContact O-N 3.07Å; R227-E231 VanDerWaalsContact O-N 3.11Å; G228-E231 PolarHBondContact O-N 3.24Å; V229-E231 VanDerWaalsContact C-N 3.29Å; V229-E231 PolarHBondContact O-N 2.96Å; E231-R234 PolarHBondContact O-N 3.49Å; E231-R234 IonicContact OE2-CZ 2.89Å; E231-R234 VanDerWaalsContact OE2-CZ 3.3Å; E231-R234 IonicContact OE2-NE 2.88Å; E231-R234 PolarHBondContact OE2-NE 3.1Å; E231-R234 IonicContact OE2-NH2 2.78Å; E231-R234 PolarHBondContact OE2-NH2 3.2Å; E231-L235 WeakPolarHBondContact O-CB 3.48Å; E231-L235 VanDerWaalsContact O-CG 3.29Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å
232L90.7Very high90.6Very high112 Ų11282.2 Ų82.259%0.58642%0.422SS*.Hα-helixtrans-64.8-43.4173.7-73.2172.5000111.6G228 V229 R234 L235 T236G228-L232 WeakPolarHBondContact O-CG 3.42Å; G228-L232 PolarHBondContact O-N 3.46Å; V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.37Å; V229-L232 VanDerWaalsContact O-N 3.07Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.25Å; L232-L235 PolarHBondContact O-N 3.3Å; L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.12Å; L232-T236 PolarHBondContact O-OG1 2.85Å
233D92.7Very high90.5Very high97 Ų9783.4 Ų83.452%0.51943%0.428SS..Hα-helixtrans-61.6-45.2176.7-66.3-23.5000110.6V229 L235 T236 L237V229-D233 VanDerWaalsContact O-CG 3.3Å; V229-D233 PolarHBondContact O-N 3.44Å; D233-L235 VanDerWaalsContact C-N 3.35Å; D233-L235 PolarHBondContact O-N 3.46Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-L237 WeakPolarHBondContact O-CB 3.5Å; D233-L237 PolarHBondContact O-N 2.79Å
234R88.8Confident90.5Very high84 Ų8478.7 Ų78.732%0.31742%0.419SS..Hα-helixtrans-60-43.1175.6-171.7-172.166.968.63.9112S230 E231 L232 V238S230-R234 WeakPolarHBondContact O-CB 3.42Å; S230-R234 PolarHBondContact O-N 3.5Å; S230-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 PolarHBondContact O-N 3.49Å; E231-R234 IonicContact OE2-CZ 2.89Å; E231-R234 VanDerWaalsContact OE2-CZ 3.3Å; E231-R234 IonicContact OE2-NE 2.88Å; E231-R234 PolarHBondContact OE2-NE 3.1Å; E231-R234 IonicContact OE2-NH2 2.78Å; E231-R234 PolarHBondContact OE2-NH2 3.2Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.25Å; R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.12Å
235L88.2Confident90.3Very high51 Ų5177.6 Ų77.627%0.26741%0.414SS..Hα-helixtrans-70-41.6178.9-74.2175000111.8E231 L232 D233 L237 V238 I239 F275E231-L235 WeakPolarHBondContact O-CB 3.48Å; E231-L235 VanDerWaalsContact O-CG 3.29Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å; L232-L235 PolarHBondContact O-N 3.3Å; D233-L235 VanDerWaalsContact C-N 3.35Å; D233-L235 PolarHBondContact O-N 3.46Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.86Å; L235-V238 PolarHBondContact O-N 3.38Å; L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 WeakPolarHBondContact O-CD1 3.5Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.38Å; L235-F275 HydrophobicContact CD1-CE1 4.37Å
236T93.4Very high90Very high82 Ų8275 Ų7550%0.50342%0.417SS..Hα-helixtrans-56.6-47.5175.2-57.10000110.4L232 D233 V238 I239 S240L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.12Å; L232-T236 PolarHBondContact O-OG1 2.85Å; D233-T236 PolarHBondContact O-N 2.99Å; T236-V238 PolarHBondContact O-N 3.08Å; T236-I239 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-OG 2.89Å
237L91.6Very high90Very high108 Ų10881.1 Ų81.157%0.56543%0.431SS*.Hα-helixtrans-58-50.6176.8-177.367.9000112D233 L235 I239 S240 E241D233-L237 WeakPolarHBondContact O-CB 3.5Å; D233-L237 PolarHBondContact O-N 2.79Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.86Å; L237-I239 VanDerWaalsContact C-N 3.34Å; L237-I239 PolarHBondContact O-N 2.97Å; L237-S240 PolarHBondContact O-N 3.35Å; L237-E241 WeakPolarHBondContact O-CG 3.4Å; L237-E241 PolarHBondContact O-N 2.93Å
238V88.7Confident89.9Confident31 Ų3177.2 Ų77.219%0.18842%0.419CS..Hα-helixtrans-63.8-38179.9169.50000112.1R234 L235 T236 L242 Y270R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.12Å; L235-V238 PolarHBondContact O-N 3.38Å; T236-V238 PolarHBondContact O-N 3.08Å; V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.39Å; V238-L242 VanDerWaalsContact O-N 3.07Å; V238-Y270 HydrophobicContact CB-CD1 4.36Å; V238-Y270 HydrophobicContact CG1-CD1 3.43Å; V238-Y270 VanDerWaalsContact CG1-CD1 3.43Å; V238-Y270 HydrophobicContact CG1-CE1 3.98Å; V238-Y270 HydrophobicContact CG1-CG 4.09Å; V238-Y270 HydrophobicContact CG2-CD1 4.13Å; V238-Y270 HydrophobicContact CG2-CE1 4.38Å
239I90.5Very high90Very high88 Ų8880 Ų8045%0.45143%0.433SS..Hα-helixtrans-63.5-49.7175.9-71.8164.2000109.9L235 T236 L237 E241 L242 E243L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 WeakPolarHBondContact O-CD1 3.5Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.38Å; T236-I239 PolarHBondContact O-N 3.43Å; L237-I239 VanDerWaalsContact C-N 3.34Å; L237-I239 PolarHBondContact O-N 2.97Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 3.19Å; I239-L242 PolarHBondContact O-N 3.34Å; I239-L242 VanDerWaalsContact O-N 3.15Å; I239-E243 HydrophobicContact CG2-CG 4.12Å; I239-E243 WeakPolarHBondContact O-CB 3.47Å; I239-E243 WeakPolarHBondContact O-CG 3.35Å; I239-E243 PolarHBondContact O-N 3.29Å
240S93.2Very high89.7Confident65 Ų6580.3 Ų80.346%0.45544%0.443SS..Hα-helixtrans-61.1-39.1179-62.40000112.7T236 L237 G244T236-S240 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-OG 2.89Å; L237-S240 PolarHBondContact O-N 3.35Å; S240-G244 PolarHBondContact O-N 3.09Å
241E89.1Confident89.6Confident83 Ų8380.2 Ų80.239%0.38845%0.447SS..Hα-helixtrans-60.5-45.4173.3-75.9-179.2-164.500112.3L237 I239 K245 Y270L237-E241 WeakPolarHBondContact O-CG 3.4Å; L237-E241 PolarHBondContact O-N 2.93Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 3.19Å; E241-K245 WeakPolarHBondContact O-CG 3.36Å; E241-K245 PolarHBondContact O-N 2.87Å; E241-Y270 VanDerWaalsContact OE2-CE1 3.31Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.41Å; E241-Y270 PolarHBondContact OE2-OH 2.82Å
242L87.1Confident89.3Confident64 Ų6482 Ų8234%0.33546%0.455SS..Hα-helixtrans-71.7-39.8-178.9-73.9175000112.6V238 I239 G244 K245 A246 F266 Y270V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.39Å; V238-L242 VanDerWaalsContact O-N 3.07Å; I239-L242 PolarHBondContact O-N 3.34Å; I239-L242 VanDerWaalsContact O-N 3.15Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-K245 PolarHBondContact O-N 2.9Å; L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 2.91Å; L242-F266 HydrophobicContact CD2-CD1 4.25Å; L242-Y270 HydrophobicContact CD1-CD2 4.36Å; L242-Y270 HydrophobicContact CD1-CG 4.35Å; L242-Y270 HydrophobicContact CD2-CD2 3.68Å; L242-Y270 HydrophobicContact CD2-CE2 3.51Å; L242-Y270 HydrophobicContact CD2-CG 4.42Å; L242-Y270 HydrophobicContact CG-CD2 4.28Å; L242-Y270 HydrophobicContact CG-CE2 4.21Å
243E92Very high88.8Confident103 Ų10379.1 Ų79.148%0.48144%0.44SS..Hα-helixtrans-63.7-40.5173.3-73.8-179.6162.200111.5I239 A246 R247I239-E243 HydrophobicContact CG2-CG 4.12Å; I239-E243 WeakPolarHBondContact O-CB 3.47Å; I239-E243 WeakPolarHBondContact O-CG 3.35Å; I239-E243 PolarHBondContact O-N 3.29Å; E243-A246 PolarHBondContact O-N 3.03Å; E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.45Å
244G90.5Very high88.2Confident40 Ų4079.7 Ų79.741%0.41244%0.441SS..Hα-helixtrans-59.3-49.8173.300000111.7S240 L242 A246 R247 Q248S240-G244 PolarHBondContact O-N 3.09Å; L242-G244 VanDerWaalsContact C-N 3.34Å; G244-A246 PolarHBondContact O-N 3.44Å; G244-R247 PolarHBondContact O-N 3.23Å; G244-R247 VanDerWaalsContact O-N 3.15Å; G244-Q248 PolarHBondContact O-N 3.42Å
245K86.6Confident87.7Confident44 Ų4482 Ų8219%0.19146%0.455CS..Hα-helixtrans-61.1-40.2176-74.7-178.8176.5177.50113.1E241 L242 R247 Q248 F266 Y270E241-K245 WeakPolarHBondContact O-CG 3.36Å; E241-K245 PolarHBondContact O-N 2.87Å; L242-K245 PolarHBondContact O-N 2.9Å; K245-R247 PolarHBondContact O-N 3.33Å; K245-Q248 WeakPolarHBondContact O-CB 3.44Å; K245-Q248 PolarHBondContact O-N 3.06Å; K245-Q248 VanDerWaalsContact O-N 3.14Å; K245-Q248 PolarHBondContact O-OE1 2.98Å; K245-F266 HydrophobicContact CD-CE1 3.99Å; K245-Y270 PolarHBondContact NZ-OH 3.17Å
246A85.8Confident86.9Confident79 Ų7982.6 Ų82.665%0.65346%0.459SS*.Hα-helixtrans-64.4-19.617800000113.7L242 E243 G244L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 2.91Å; E243-A246 PolarHBondContact O-N 3.03Å; G244-A246 PolarHBondContact O-N 3.44Å
247R91.2Very high85.7Confident210 Ų21079.7 Ų79.779%0.79244%0.441SS*.THydrogen-bonded Turntrans-92.4-7.8176.6-68.5176.7-174.5-1744.7114E243 G244 K245E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.45Å; G244-R247 PolarHBondContact O-N 3.23Å; G244-R247 VanDerWaalsContact O-N 3.15Å; K245-R247 PolarHBondContact O-N 3.33Å
248Q87.6Confident84.4Confident55 Ų5578.6 Ų78.626%0.25744%0.441SS..SBendtrans-63.4147.3179.7-74.6171.2-46.700111.2G244 K245 E252 L253 D256G244-Q248 PolarHBondContact O-N 3.42Å; K245-Q248 WeakPolarHBondContact O-CB 3.44Å; K245-Q248 PolarHBondContact O-N 3.06Å; K245-Q248 VanDerWaalsContact O-N 3.14Å; K245-Q248 PolarHBondContact O-OE1 2.98Å; Q248-E252 HydrophobicContact CB-CB 4.35Å; Q248-L253 HydrophobicContact CB-CB 4.3Å; Q248-D256 PolarHBondContact NE2-OD2 3.36Å; Q248-D256 PolarHBondContact OE1-OD2 2.98Å
249P90.9Very high83.2Confident79 Ų7982.4 Ų82.451%0.51347%0.465SS..  trans-53.7144.7169.2-22.832.7000111.3A251 E252 L253P249-A251 PolarHBondContact O-N 2.9Å; P249-E252 PolarHBondContact O-N 3.36Å; P249-L253 PolarHBondContact O-N 2.88Å
250A86.6Confident81.7Confident77 Ų7780.3 Ų80.364%0.63646%0.456SS*.Hα-helixtrans-53-34.8-17400000113.6M254A250-M254 VanDerWaalsContact O-CB 3.25Å; A250-M254 WeakPolarHBondContact O-CB 3.44Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.47Å
251A87.4Confident79.7Confident71 Ų7186.2 Ų86.259%0.58748%0.477SS*.Hα-helixtrans-66.5-43.6177.700000113.1P249 M254 Q255P249-A251 PolarHBondContact O-N 2.9Å; A251-M254 PolarHBondContact O-N 2.94Å; A251-Q255 WeakPolarHBondContact O-CG 3.41Å; A251-Q255 PolarHBondContact O-N 3.4Å
252E82.5Confident77.7Confident99 Ų9986.7 Ų86.746%0.46348%0.482SS..Hα-helixtrans-69.4-44.9178.4-69176.8-163.600110.9Q248 P249 M254 Q255 D256Q248-E252 HydrophobicContact CB-CB 4.35Å; P249-E252 PolarHBondContact O-N 3.36Å; E252-M254 VanDerWaalsContact C-N 3.3Å; E252-M254 PolarHBondContact O-N 3.12Å; E252-Q255 PolarHBondContact O-N 3.47Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; E252-D256 PolarHBondContact O-N 2.99Å
253L81.2Confident76.1Confident52 Ų5289.1 Ų89.127%0.27250%0.5SS..Hα-helixtrans-58.6-44175.1179.863.4000111Q248 P249 D256 V257Q248-L253 HydrophobicContact CB-CB 4.3Å; P249-L253 PolarHBondContact O-N 2.88Å; L253-D256 PolarHBondContact O-N 3.46Å; L253-V257 HydrophobicContact CD1-CG2 4.18Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.45Å; L253-V257 PolarHBondContact O-N 2.88Å
254M79.3Confident74.3Confident108 Ų10892.5 Ų92.553%0.53251%0.513SS..Hα-helixtrans-67.9-33.8177.6-72.5-59.7-61.600112.4A250 A251 E252 V257 C258A250-M254 VanDerWaalsContact O-CB 3.25Å; A250-M254 WeakPolarHBondContact O-CB 3.44Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.47Å; A251-M254 PolarHBondContact O-N 2.94Å; E252-M254 VanDerWaalsContact C-N 3.3Å; E252-M254 PolarHBondContact O-N 3.12Å; M254-V257 PolarHBondContact O-N 3.11Å; M254-C258 WeakPolarHBondContact O-CB 3.42Å; M254-C258 PolarHBondContact O-N 2.9Å; M254-C258 PolarHBondContact O-SG 3.3Å
255Q78.4Confident72.8Confident132 Ų13293.3 Ų93.362%0.61751%0.508SS*.Hα-helixtrans-65.5-44171.6-77.5177.6100111.8A251 E252 V257 C258 T259A251-Q255 WeakPolarHBondContact O-CG 3.41Å; A251-Q255 PolarHBondContact O-N 3.4Å; E252-Q255 PolarHBondContact O-N 3.47Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; Q255-V257 VanDerWaalsContact C-N 3.31Å; Q255-V257 PolarHBondContact O-N 3.27Å; Q255-C258 PolarHBondContact O-N 2.82Å; Q255-T259 WeakPolarHBondContact O-CB 3.39Å; Q255-T259 WeakPolarHBondContact O-CG2 3.46Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.32Å
256D70.8Confident71.7Confident64 Ų6494.1 Ų94.134%0.34251%0.511SS..Hα-helixtrans-64.7-35.6176.8-82.8-8.5000112Q248 E252 L253 T259 T260Q248-D256 PolarHBondContact NE2-OD2 3.36Å; Q248-D256 PolarHBondContact OE1-OD2 2.98Å; E252-D256 PolarHBondContact O-N 2.99Å; L253-D256 PolarHBondContact O-N 3.46Å; D256-T259 PolarHBondContact O-OG1 2.81Å; D256-T260 PolarHBondContact O-OG1 3.04Å
257V68.5Low70.4Confident22 Ų2293.8 Ų93.813%0.13351%0.509CS..Hα-helixtrans-75.5-37.9175.4175.50000111.5L253 M254 Q255 T260 T263 F266L253-V257 HydrophobicContact CD1-CG2 4.18Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.45Å; L253-V257 PolarHBondContact O-N 2.88Å; M254-V257 PolarHBondContact O-N 3.11Å; Q255-V257 VanDerWaalsContact C-N 3.31Å; Q255-V257 PolarHBondContact O-N 3.27Å; V257-T260 CarbonylContact O-C 3.57Å; V257-T260 PolarHBondContact O-OG1 3.07Å; V257-T263 HydrophobicContact CG1-CG2 3.78Å; V257-F266 HydrophobicContact CB-CE2 4.32Å; V257-F266 HydrophobicContact CG2-CE2 3.54Å; V257-F266 HydrophobicContact CG2-CZ 4.01Å
258C64.6Low69.2Low84 Ų8489.2 Ų89.257%0.56850%0.5SS*.Hα-helixtrans-80-27-178-73.20000113.6M254 Q255 T260M254-C258 WeakPolarHBondContact O-CB 3.42Å; M254-C258 PolarHBondContact O-N 2.9Å; M254-C258 PolarHBondContact O-SG 3.3Å; Q255-C258 PolarHBondContact O-N 2.82Å; C258-T260 PolarHBondContact O-N 3.38Å
259T63.8Low68.3Low111 Ų11192.9 Ų92.968%0.68152%0.515SS*.Hα-helixtrans-68.2-26.4171.745.30000112Q255 D256 Q261Q255-T259 WeakPolarHBondContact O-CB 3.39Å; Q255-T259 WeakPolarHBondContact O-CG2 3.46Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.32Å; D256-T259 PolarHBondContact O-OG1 2.81Å; T259-Q261 PolarHBondContact O-N 3.46Å
260T58.9Low67.2Low44 Ų4491 Ų9127%0.2750%0.498SS..SBendtrans-85.5101.7162.756.20000108.8D256 V257 C258 D262D256-T260 PolarHBondContact O-OG1 3.04Å; V257-T260 CarbonylContact O-C 3.57Å; V257-T260 PolarHBondContact O-OG1 3.07Å; C258-T260 PolarHBondContact O-N 3.38Å; T260-D262 PolarHBondContact O-N 3.2Å
261Q51.6Low66.3Low189 Ų18990.8 Ų90.888%0.88349%0.49SS*.SBendtrans-61.610.1-173.2-110.3167.5-15.100116.8T259T259-Q261 PolarHBondContact O-N 3.46Å
262D47.2Very low65.3Low94 Ų9498.4 Ų98.450%0.50350%0.504SS..  trans-138.3113.1171.2-84-53.5000110.4T260 K264 D265T260-D262 PolarHBondContact O-N 3.2Å; D262-K264 PolarHBondContact O-N 3.42Å; D262-D265 HydrophobicContact CB-CB 4.48Å; D262-D265 WeakPolarHBondContact O-CB 3.41Å; D262-D265 PolarHBondContact O-N 3.11Å
263T52.1Low64.4Low115 Ų115100 Ų10071%0.70651%0.509SS*.G310 helixtrans-58-14.4169.645.90000113.1V257 D265V257-T263 HydrophobicContact CG1-CG2 3.78Å; T263-D265 VanDerWaalsContact C-N 3.28Å; T263-D265 PolarHBondContact O-N 2.87Å
264K54.1Low63.4Low173 Ų173107.5 Ų107.575%0.75254%0.539SS*.G310 helixtrans-76.2-6.8172.8-71.3-179.6178.7173.50113.9D262D262-K264 PolarHBondContact O-N 3.42Å
265D59.9Low62.4Low58 Ų58108.6 Ų108.631%0.3154%0.541SS..G310 helixtrans-89.4-11.7-170.6-87.7-17.5000116.9D262 T263 A267 N268 K269D262-D265 HydrophobicContact CB-CB 4.48Å; D262-D265 WeakPolarHBondContact O-CB 3.41Å; D262-D265 PolarHBondContact O-N 3.11Å; T263-D265 VanDerWaalsContact C-N 3.28Å; T263-D265 PolarHBondContact O-N 2.87Å; D265-A267 PolarHBondContact O-N 3.24Å; D265-N268 CarbonylContact O-C 3.51Å; D265-N268 PolarHBondContact O-N 3.47Å; D265-N268 PolarHBondContact OD1-ND2 2.9Å; D265-K269 WeakPolarHBondContact O-CB 3.31Å; D265-K269 PolarHBondContact O-N 3.22Å
266F62.5Low61.6Low60 Ų60106.4 Ų106.426%0.26353%0.528SS..Hα-helixtrans-58.5-39.7173.9-92.3-91.9000111.5L242 K245 V257 N268 Y270L242-F266 HydrophobicContact CD2-CD1 4.25Å; K245-F266 HydrophobicContact CD-CE1 3.99Å; V257-F266 HydrophobicContact CB-CE2 4.32Å; V257-F266 HydrophobicContact CG2-CE2 3.54Å; V257-F266 HydrophobicContact CG2-CZ 4.01Å; F266-N268 VanDerWaalsContact C-N 3.33Å; F266-Y270 HydrophobicContact CD1-CE2 4.39Å; F266-Y270 WeakPolarHBondContact O-CD2 3.36Å; F266-Y270 PolarHBondContact O-N 3.42Å; F266-Y270 VanDerWaalsContact O-N 3.1Å
267A59.9Low61.3Low73 Ų73110.9 Ų110.960%0.60355%0.55SS**Hα-helixtrans-69.6-27.6174.800000113.1D265 Y270 P271D265-A267 PolarHBondContact O-N 3.24Å; A267-Y270 CarbonylContact O-C 3.31Å; A267-Y270 VanDerWaalsContact O-C 3.31Å; A267-P271 VanDerWaalsContact O-CA 3.26Å; A267-P271 WeakPolarHBondContact O-CA 3.39Å
268N65.8Low61.4Low113 Ų113111.1 Ų111.160%0.60456%0.557SS**Hα-helixtrans-80.5-35.7176.3-77.7-21000112.7D265 F266 Y270 P271D265-N268 CarbonylContact O-C 3.51Å; D265-N268 PolarHBondContact O-N 3.47Å; D265-N268 PolarHBondContact OD1-ND2 2.9Å; F266-N268 VanDerWaalsContact C-N 3.33Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; N268-P271 WeakPolarHBondContact O-CD 3.4Å
269K67.7Low62.1Low132 Ų132115.7 Ų115.757%0.57457%0.567SS**Hα-helixtrans-69.7-33.8176.1-167.2167.6-175.9165.60111.4D265 P271D265-K269 WeakPolarHBondContact O-CB 3.31Å; D265-K269 PolarHBondContact O-N 3.22Å; K269-P271 VanDerWaalsContact C-CD 3.46Å; K269-P271 WeakPolarHBondContact O-CD 3.35Å
270Y68.9Low63.1Low39 Ų39113.1 Ų113.115%0.15356%0.557CS.*SBendtrans-119.868.9174.2-54.2-76.1000110.5V238 E241 L242 K245 F266 A267 N268 R272V238-Y270 HydrophobicContact CB-CD1 4.36Å; V238-Y270 HydrophobicContact CG1-CD1 3.43Å; V238-Y270 VanDerWaalsContact CG1-CD1 3.43Å; V238-Y270 HydrophobicContact CG1-CE1 3.98Å; V238-Y270 HydrophobicContact CG1-CG 4.09Å; V238-Y270 HydrophobicContact CG2-CD1 4.13Å; V238-Y270 HydrophobicContact CG2-CE1 4.38Å; E241-Y270 VanDerWaalsContact OE2-CE1 3.31Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.41Å; E241-Y270 PolarHBondContact OE2-OH 2.82Å; L242-Y270 HydrophobicContact CD1-CD2 4.36Å; L242-Y270 HydrophobicContact CD1-CG 4.35Å; L242-Y270 HydrophobicContact CD2-CD2 3.68Å; L242-Y270 HydrophobicContact CD2-CE2 3.51Å; L242-Y270 HydrophobicContact CD2-CG 4.42Å; L242-Y270 HydrophobicContact CG-CD2 4.28Å; L242-Y270 HydrophobicContact CG-CE2 4.21Å; K245-Y270 PolarHBondContact NZ-OH 3.17Å; F266-Y270 HydrophobicContact CD1-CE2 4.39Å; F266-Y270 WeakPolarHBondContact O-CD2 3.36Å; F266-Y270 PolarHBondContact O-N 3.42Å; F266-Y270 VanDerWaalsContact O-N 3.1Å; A267-Y270 CarbonylContact O-C 3.31Å; A267-Y270 VanDerWaalsContact O-C 3.31Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; Y270-R272 PolarHBondContact O-N 3.08Å
271P67.6Low64.4Low73 Ų73114.4 Ų114.447%0.47456%0.562SS.*  trans-60.4131.8-176.225-30.5000109.3A267 N268 K269 K273A267-P271 VanDerWaalsContact O-CA 3.26Å; A267-P271 WeakPolarHBondContact O-CA 3.39Å; N268-P271 WeakPolarHBondContact O-CD 3.4Å; K269-P271 VanDerWaalsContact C-CD 3.46Å; K269-P271 WeakPolarHBondContact O-CD 3.35Å; P271-K273 PolarHBondContact O-N 3.35Å
272R66.5Low65.9Low232 Ų232108.4 Ų108.488%0.87554%0.539SS*.  trans-61.484.1160.3-91.2-176.8167.4170.8-2.7107.6Y270 K274Y270-R272 PolarHBondContact O-N 3.08Å; R272-K274 PolarHBondContact O-N 3.45Å
273K63.6Low67.9Low133 Ų133110.3 Ų110.358%0.57855%0.545SS*.  trans-58.8131163.4-74.9-177.8174.2175.40105.9P271 F275P271-K273 PolarHBondContact O-N 3.35Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.94Å
274K60.3Low69.6Low208 Ų208108.4 Ų108.490%0.90453%0.529SS*.  trans-50108.1165.1-70.9-179.7-178.9177.90105R272 W276R272-K274 PolarHBondContact O-N 3.45Å; K274-W276 PolarHBondContact O-N 3.46Å
275F57.3Low71.4Confident131 Ų131100.5 Ų100.558%0.57550%0.495SS*.  trans-46.8144-173-64.4-89.4000108.9L235 K273 I277L235-F275 HydrophobicContact CD1-CE1 4.37Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.94Å; F275-I277 VanDerWaalsContact C-N 3.35Å; F275-I277 PolarHBondContact O-N 3.37Å
276W62.2Low72.8Confident86 Ų86104.5 Ų104.533%0.32651%0.509SS..  trans-60.9104.4173.2175.185.9000108.5F224 K274F224-W276 AromaticContact CD1-CH2 3.93Å; F224-W276 HydrophobicContact CD1-CH2 3.93Å; F224-W276 AromaticContact CD2-CH2 3.15Å; F224-W276 HydrophobicContact CD2-CH2 3.15Å; F224-W276 AromaticContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ3 4.25Å; F224-W276 AromaticContact CE1-CH2 3.72Å; F224-W276 HydrophobicContact CE1-CH2 3.72Å; F224-W276 AromaticContact CE1-CZ3 3.96Å; F224-W276 HydrophobicContact CE1-CZ3 3.96Å; F224-W276 AromaticContact CE2-CH2 2.91Å; F224-W276 HydrophobicContact CE2-CH2 2.91Å; F224-W276 AromaticContact CE2-CZ2 3.41Å; F224-W276 HydrophobicContact CE2-CZ2 3.41Å; F224-W276 VanDerWaalsContact CE2-CZ2 3.41Å; F224-W276 AromaticContact CE2-CZ3 3.66Å; F224-W276 HydrophobicContact CE2-CZ3 3.66Å; F224-W276 AromaticContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CZ2 4.35Å; F224-W276 AromaticContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CZ2 4.14Å; F224-W276 AromaticContact CZ-CZ3 3.49Å; F224-W276 HydrophobicContact CZ-CZ3 3.49Å; F224-W276 VanDerWaalsContact CZ-CZ3 3.49Å; K274-W276 PolarHBondContact O-N 3.46Å
277I64Low74.3Confident159 Ų159108.1 Ų108.182%0.81552%0.521SS*.  trans-106.160.5166.9-53.2171.4000105.4F275F275-I277 VanDerWaalsContact C-N 3.35Å; F275-I277 PolarHBondContact O-N 3.37Å
278G71Confident75.9Confident27 Ų27108.4 Ų108.428%0.27851%0.509SS..  trans-69.8143.4171.600000109.9F224F224-G278 WeakPolarHBondContact CE2-O 3.31Å
279K79.5Confident77.1Confident180 Ų180105.3 Ų105.378%0.78350%0.499SS*.  trans-72.9129.1170.1-65.3-175.5179178.30109.1I281K279-I281 VanDerWaalsContact C-N 3.29Å; K279-I281 PolarHBondContact O-N 3.16Å
280A84.4Confident78.3Confident57 Ų57100.8 Ų100.847%0.47149%0.49SS..SBendtrans-61.7-35.8178.900000113.5F224F224-A280 HydrophobicContact CD1-CB 4.5Å; F224-A280 VanDerWaalsContact CD2-CA 3.48Å; F224-A280 HydrophobicContact CD2-CB 4.03Å; F224-A280 HydrophobicContact CE1-CB 4.28Å; F224-A280 HydrophobicContact CE2-CB 3.77Å; F224-A280 HydrophobicContact CG-CB 4.39Å; F224-A280 HydrophobicContact CZ-CB 3.92Å
281I86.2Confident79.5Confident71 Ų71103 Ų10336%0.36450%0.502SS..SBendtrans-107.6122.1179.3-57.8173.6000108.5L217 K279 H283 V285 K286L217-I281 HydrophobicContact CD2-CG1 4.26Å; L217-I281 HydrophobicContact CD2-CG2 3.89Å; K279-I281 VanDerWaalsContact C-N 3.29Å; K279-I281 PolarHBondContact O-N 3.16Å; I281-H283 PolarHBondContact O-N 3.46Å; I281-V285 HydrophobicContact CG2-CB 4.15Å; I281-V285 HydrophobicContact CG2-CG1 4.36Å; I281-K286 HydrophobicContact CG2-CG 4.09Å
282P84Confident80.8Confident63 Ų63100.3 Ų100.341%0.40948%0.482SS..  trans-56.9137.7172.3-24.233.9000111.3M284 V285 K286P282-M284 PolarHBondContact O-N 3.47Å; P282-M284 VanDerWaalsContact O-N 3.12Å; P282-V285 HydrophobicContact CB-CG2 4.26Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 PolarHBondContact O-N 3Å; P282-K286 PolarHBondContact O-N 3.11Å
283H89.1Confident82.1Confident134 Ų13492.5 Ų92.562%0.6246%0.463SS*.Hα-helixtrans-53-37.6-180176.1-96.8000112.6I281 V285 K286 R287I281-H283 PolarHBondContact O-N 3.46Å; H283-V285 VanDerWaalsContact C-N 3.33Å; H283-V285 PolarHBondContact O-N 2.99Å; H283-K286 PolarHBondContact O-N 3.32Å; H283-R287 WeakPolarHBondContact O-CB 3.47Å; H283-R287 PolarHBondContact O-N 2.8Å
284M88.2Confident83.5Confident75 Ų7591 Ų9137%0.36946%0.461SS..Hα-helixtrans-58.9-40.7177.6179.2-89.6-73.800112.9L216 P282 R287 K288L216-M284 HydrophobicContact CD1-CE 4.46Å; P282-M284 PolarHBondContact O-N 3.47Å; P282-M284 VanDerWaalsContact O-N 3.12Å; M284-R287 PolarHBondContact O-N 2.81Å; M284-K288 WeakPolarHBondContact O-CG 3.47Å; M284-K288 PolarHBondContact O-N 3.32Å; M284-K288 HydrophobicContact SD-CD 3.71Å; M284-K288 VanDerWaalsContact SD-CE 3.6Å; M284-K288 HydrophobicContact SD-CG 4.3Å
285V90.5Very high85.1Confident6 Ų685 Ų854%0.03644%0.436CS..Hα-helixtrans-70.9-42.2179.5-179.70000110.4L213 L216 L217 I281 P282 H283 R287 K288 A289L213-V285 HydrophobicContact CD2-CG1 4.42Å; L216-V285 HydrophobicContact CB-CG2 4.39Å; L217-V285 HydrophobicContact CD1-CG1 4.25Å; L217-V285 HydrophobicContact CD2-CB 4.44Å; L217-V285 HydrophobicContact CD2-CG1 3.54Å; L217-V285 HydrophobicContact CG-CG1 3.72Å; I281-V285 HydrophobicContact CG2-CB 4.15Å; I281-V285 HydrophobicContact CG2-CG1 4.36Å; P282-V285 HydrophobicContact CB-CG2 4.26Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 PolarHBondContact O-N 3Å; H283-V285 VanDerWaalsContact C-N 3.33Å; H283-V285 PolarHBondContact O-N 2.99Å; V285-R287 VanDerWaalsContact C-N 3.33Å; V285-R287 PolarHBondContact O-N 3.1Å; V285-K288 PolarHBondContact O-N 2.85Å; V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.81Å
286K90.7Very high86.9Confident143 Ų14383.1 Ų83.162%0.62243%0.431SS*.Hα-helixtrans-58.1-44.1173.1-109.1-177176.8-174.60112.2I281 P282 H283 A289 G290I281-K286 HydrophobicContact CG2-CG 4.09Å; P282-K286 PolarHBondContact O-N 3.11Å; H283-K286 PolarHBondContact O-N 3.32Å; K286-A289 PolarHBondContact O-N 2.9Å; K286-G290 PolarHBondContact O-N 3.24Å; K286-G290 VanDerWaalsContact O-N 3.09Å
287R93.4Very high88.5Confident135 Ų13583.9 Ų83.951%0.50944%0.441SS..Hα-helixtrans-63.1-49.3177.4-170.9-176.566.3-156.3-5111.4H283 M284 V285 A289 G290 E291H283-R287 WeakPolarHBondContact O-CB 3.47Å; H283-R287 PolarHBondContact O-N 2.8Å; M284-R287 PolarHBondContact O-N 2.81Å; V285-R287 VanDerWaalsContact C-N 3.33Å; V285-R287 PolarHBondContact O-N 3.1Å; R287-A289 VanDerWaalsContact C-N 3.31Å; R287-A289 PolarHBondContact O-N 3.07Å; R287-G290 WeakPolarHBondContact O-CA 3.34Å; R287-G290 PolarHBondContact O-N 2.96Å; R287-G290 VanDerWaalsContact O-N 3.08Å; R287-E291 WeakPolarHBondContact CG-OE1 3.36Å; R287-E291 IonicContact NE-OE1 2.9Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 WeakPolarHBondContact O-CG 3.48Å; R287-E291 PolarHBondContact O-N 3.27Å
288K93.2Very high90Very high79 Ų7980.1 Ų80.134%0.34343%0.429SS..Hα-helixtrans-60.5-39176.8-75.3-172.6177.7-178.10112.4L213 M284 V285 G290 E291 F292L213-K288 HydrophobicContact CD1-CB 4.2Å; L213-K288 HydrophobicContact CD2-CB 3.77Å; L213-K288 HydrophobicContact CD2-CD 3.71Å; L213-K288 HydrophobicContact CD2-CG 4.41Å; M284-K288 WeakPolarHBondContact O-CG 3.47Å; M284-K288 PolarHBondContact O-N 3.32Å; M284-K288 HydrophobicContact SD-CD 3.71Å; M284-K288 VanDerWaalsContact SD-CE 3.6Å; M284-K288 HydrophobicContact SD-CG 4.3Å; V285-K288 PolarHBondContact O-N 2.85Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.17Å; K288-E291 PolarHBondContact O-N 3.5Å; K288-F292 WeakPolarHBondContact O-CD2 3.44Å; K288-F292 PolarHBondContact O-N 2.74Å
289A91.4Very high91.1Very high49 Ų4982.2 Ų82.241%0.40543%0.433SS..Hα-helixtrans-61-39.6174.400000111.8V285 K286 R287 F292 S293V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.81Å; K286-A289 PolarHBondContact O-N 2.9Å; R287-A289 VanDerWaalsContact C-N 3.31Å; R287-A289 PolarHBondContact O-N 3.07Å; A289-F292 WeakPolarHBondContact O-CB 3.29Å; A289-F292 PolarHBondContact O-N 2.81Å; A289-S293 PolarHBondContact O-N 2.95Å; A289-S293 PolarHBondContact O-OG 2.72Å
290G92.5Very high91.9Very high36 Ų3678 Ų7837%0.37142%0.416SS..Hα-helixtrans-62.9-49171.700000113K286 R287 K288 F292 S293 D294K286-G290 PolarHBondContact O-N 3.24Å; K286-G290 VanDerWaalsContact O-N 3.09Å; R287-G290 WeakPolarHBondContact O-CA 3.34Å; R287-G290 PolarHBondContact O-N 2.96Å; R287-G290 VanDerWaalsContact O-N 3.08Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.17Å; G290-F292 PolarHBondContact O-N 3.26Å; G290-S293 WeakPolarHBondContact O-CB 3.38Å; G290-S293 PolarHBondContact O-N 3.49Å; G290-D294 PolarHBondContact O-N 3.28Å
291E93.6Very high92.5Very high86 Ų8683.1 Ų83.140%0.40242%0.423SS..Hα-helixtrans-57.3-32.4175.4-66.8165.1-161.700111.8R287 K288 D294 K295R287-E291 WeakPolarHBondContact CG-OE1 3.36Å; R287-E291 IonicContact NE-OE1 2.9Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 WeakPolarHBondContact O-CG 3.48Å; R287-E291 PolarHBondContact O-N 3.27Å; K288-E291 PolarHBondContact O-N 3.5Å; E291-D294 PolarHBondContact O-N 2.96Å; E291-K295 WeakPolarHBondContact O-CG 3.26Å; E291-K295 PolarHBondContact O-N 3.36Å; E291-K295 VanDerWaalsContact O-N 3.08Å
292F94.4Very high93Very high16 Ų1681.4 Ų81.47%0.0742%0.423CS..Hα-helixtrans-66.6-41.4174.8-103.2-79.4000113.1L206 Q209 L210 L213 K288 A289 G290 D294 K295 L296L206-F292 HydrophobicContact CD2-CE1 4.28Å; Q209-F292 HydrophobicContact CB-CE1 4.27Å; Q209-F292 HydrophobicContact CB-CE2 4.05Å; Q209-F292 HydrophobicContact CB-CZ 3.35Å; Q209-F292 HydrophobicContact CG-CZ 4.25Å; L210-F292 HydrophobicContact CD2-CD1 3.69Å; L210-F292 HydrophobicContact CD2-CD2 4.46Å; L210-F292 HydrophobicContact CD2-CE1 3.96Å; L210-F292 HydrophobicContact CD2-CG 3.98Å; L210-F292 HydrophobicContact CD2-CZ 4.47Å; L210-F292 HydrophobicContact CG-CD1 4.15Å; L210-F292 HydrophobicContact CG-CE1 3.97Å; L213-F292 HydrophobicContact CD1-CD2 3.46Å; L213-F292 VanDerWaalsContact CD1-CD2 3.46Å; L213-F292 HydrophobicContact CD1-CE2 3.6Å; L213-F292 HydrophobicContact CD1-CG 4.41Å; K288-F292 WeakPolarHBondContact O-CD2 3.44Å; K288-F292 PolarHBondContact O-N 2.74Å; A289-F292 WeakPolarHBondContact O-CB 3.29Å; A289-F292 PolarHBondContact O-N 2.81Å; G290-F292 PolarHBondContact O-N 3.26Å; F292-D294 VanDerWaalsContact C-N 3.27Å; F292-D294 PolarHBondContact O-N 2.82Å; F292-K295 HydrophobicContact CD1-CD 4.41Å; F292-K295 HydrophobicContact CE1-CD 4.34Å; F292-K295 WeakPolarHBondContact O-CB 3.37Å; F292-K295 PolarHBondContact O-N 2.79Å; F292-L296 WeakPolarHBondContact O-CG 3.37Å; F292-L296 PolarHBondContact O-N 2.98Å
293S93.7Very high93.5Very high68 Ų6881.4 Ų81.448%0.47642%0.419SS..Hα-helixtrans-57.6-42.2174-610000111.6A289 G290 L296 L297A289-S293 PolarHBondContact O-N 2.95Å; A289-S293 PolarHBondContact O-OG 2.72Å; G290-S293 WeakPolarHBondContact O-CB 3.38Å; G290-S293 PolarHBondContact O-N 3.49Å; S293-L296 PolarHBondContact O-N 3.1Å; S293-L297 PolarHBondContact O-N 2.85Å; S293-L297 VanDerWaalsContact O-N 3.12Å
294D94.5Very high93.8Very high101 Ų10182.7 Ų82.754%0.5442%0.419SS..Hα-helixtrans-66-39.1177.4-64.1-30000112.2G290 E291 F292 L296 L297 S298G290-D294 PolarHBondContact O-N 3.28Å; E291-D294 PolarHBondContact O-N 2.96Å; F292-D294 VanDerWaalsContact C-N 3.27Å; F292-D294 PolarHBondContact O-N 2.82Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.48Å; D294-L297 PolarHBondContact O-N 3.26Å; D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.98Å; D294-S298 PolarHBondContact O-OG 3.41Å
295K94.4Very high94.2Very high83 Ų8385.2 Ų85.236%0.36143%0.43SS..Hα-helixtrans-60.9-41.4172.8-74.7175.9178.9176.90111.9Q209 E291 F292 S298 L299Q209-K295 VanDerWaalsContact OE1-NZ 3.09Å; E291-K295 WeakPolarHBondContact O-CG 3.26Å; E291-K295 PolarHBondContact O-N 3.36Å; E291-K295 VanDerWaalsContact O-N 3.08Å; F292-K295 HydrophobicContact CD1-CD 4.41Å; F292-K295 HydrophobicContact CE1-CD 4.34Å; F292-K295 WeakPolarHBondContact O-CB 3.37Å; F292-K295 PolarHBondContact O-N 2.79Å; K295-S298 PolarHBondContact O-N 3.32Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 PolarHBondContact O-N 2.79Å
296L94.8Very high94.4Very high92 Ų9290.3 Ų90.348%0.48245%0.451SS..Hα-helixtrans-65.4-42.7179.7-68.2176.9000111.8F292 S293 D294 S298 L299 Q300F292-L296 WeakPolarHBondContact O-CG 3.37Å; F292-L296 PolarHBondContact O-N 2.98Å; S293-L296 PolarHBondContact O-N 3.1Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.48Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.43Å; L296-L299 PolarHBondContact O-N 3.07Å; L296-Q300 PolarHBondContact O-N 3.49Å
297L94.8Very high94.5Very high102 Ų10289.4 Ų89.453%0.53445%0.449SS..Hα-helixtrans-62-41173.9-67.7174.3000111.7S293 D294 R301S293-L297 PolarHBondContact O-N 2.85Å; S293-L297 VanDerWaalsContact O-N 3.12Å; D294-L297 PolarHBondContact O-N 3.26Å; L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 2.94Å
298S95.1Very high94.5Very high80 Ų8084.1 Ų84.156%0.55944%0.437SS*.Hα-helixtrans-66.2-41.2176.7-59.60000112.1D294 K295 L296 R301 G302D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.98Å; D294-S298 PolarHBondContact O-OG 3.41Å; K295-S298 PolarHBondContact O-N 3.32Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.43Å; S298-R301 PolarHBondContact O-N 3.44Å; S298-G302 PolarHBondContact O-N 3.42Å
299L95.3Very high94.6Very high70 Ų7086.3 Ų86.337%0.36645%0.446SS..Hα-helixtrans-60.7-50.8175.3175.565.5000111.1L206 K295 L296 R301 G302 L303L206-L299 HydrophobicContact CD1-CD2 3.91Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 PolarHBondContact O-N 2.79Å; L296-L299 PolarHBondContact O-N 3.07Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.49Å; L299-G302 PolarHBondContact O-N 2.94Å; L299-L303 HydrophobicContact CD1-CD1 3.89Å; L299-L303 HydrophobicContact CD1-CG 4.05Å; L299-L303 HydrophobicContact CG-CD1 4.09Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.32Å
300Q95.9Very high94.6Very high92 Ų9286.8 Ų86.843%0.4344%0.442SS..Hα-helixtrans-59.5-45.1179.7-175.7-177.5500111.5L296 R304L296-Q300 PolarHBondContact O-N 3.49Å; Q300-R304 WeakPolarHBondContact O-CG 3.22Å; Q300-R304 PolarHBondContact O-N 3.17Å; Q300-R304 VanDerWaalsContact O-N 3.16Å
301R97.1Very high94.5Very high165 Ų16589 Ų8962%0.62345%0.445SS*.Hα-helixtrans-63.2-47.3176.7-172.5-174.2-56.6-167.51.9111.4L297 S298 L299 R304 Q305L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 2.94Å; S298-R301 PolarHBondContact O-N 3.44Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.49Å; R301-R304 PolarHBondContact O-N 2.77Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 2.82Å
302G95.9Very high94.3Very high34 Ų3491.5 Ų91.535%0.35145%0.45SS..Hα-helixtrans-61.2-45.2-17900000112.6S298 L299 Q305 F306S298-G302 PolarHBondContact O-N 3.42Å; L299-G302 PolarHBondContact O-N 2.94Å; G302-Q305 PolarHBondContact O-N 2.74Å; G302-F306 WeakPolarHBondContact O-CB 3.45Å; G302-F306 PolarHBondContact O-N 3.17Å
303L95.6Very high94.2Very high64 Ų6495.3 Ų95.334%0.33547%0.471SS..Hα-helixtrans-64.5-42.3177.7-71.9177000112.4L199 L299 Q305 F306 Q307L199-L303 HydrophobicContact CD2-CD2 4.14Å; L299-L303 HydrophobicContact CD1-CD1 3.89Å; L299-L303 HydrophobicContact CD1-CG 4.05Å; L299-L303 HydrophobicContact CG-CD1 4.09Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.32Å; L303-Q305 PolarHBondContact O-N 3.49Å; L303-F306 PolarHBondContact O-N 3.45Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.98Å
304R95.8Very high94Very high161 Ų16197.3 Ų97.361%0.60848%0.476SS*.Hα-helixtrans-61.8-44.1175.8-75.2176.8178.4-179.4-2.5112.2Q300 R301 G308Q300-R304 WeakPolarHBondContact O-CG 3.22Å; Q300-R304 PolarHBondContact O-N 3.17Å; Q300-R304 VanDerWaalsContact O-N 3.16Å; R301-R304 PolarHBondContact O-N 2.77Å; R304-G308 PolarHBondContact O-N 2.92Å
305Q96.2Very high93.5Very high128 Ų12897.9 Ų97.960%0.59848%0.476SS*.Hα-helixtrans-65-42.9177.7-73.9176.7-12.700111.7R301 G302 L303 G308 K309R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 2.82Å; G302-Q305 PolarHBondContact O-N 2.74Å; L303-Q305 PolarHBondContact O-N 3.49Å; Q305-G308 PolarHBondContact O-N 2.82Å; Q305-K309 WeakPolarHBondContact O-CB 3.36Å; Q305-K309 PolarHBondContact O-N 3.15Å
306F94.5Very high92.3Very high113 Ų113102.4 Ų102.450%0.49649%0.492SS..Hα-helixtrans-59.8-51.5175.6172-103.2000111.5G302 L303 G308 K309 L310G302-F306 WeakPolarHBondContact O-CB 3.45Å; G302-F306 PolarHBondContact O-N 3.17Å; L303-F306 PolarHBondContact O-N 3.45Å; F306-G308 PolarHBondContact O-N 3.19Å; F306-K309 PolarHBondContact O-N 3.01Å; F306-L310 HydrophobicContact CE1-CD2 4.18Å; F306-L310 HydrophobicContact CZ-CD2 4.03Å; F306-L310 WeakPolarHBondContact O-CB 3.34Å; F306-L310 PolarHBondContact O-N 3.33Å
307Q93.5Very high90.6Very high124 Ų124107 Ų10758%0.57951%0.508SS*.Hα-helixtrans-58.1-48.5177.5-74171.8-11.900111.7L303 K309 L310 L311L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.98Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.39Å; Q307-L310 PolarHBondContact O-N 2.79Å; Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 PolarHBondContact O-N 3.45Å
308G92.9Very high88.8Confident24 Ų24107.4 Ų107.425%0.24751%0.514CS..Hα-helixtrans-63.9-36.5179.500000113.2R304 Q305 F306 R312R304-G308 PolarHBondContact O-N 2.92Å; Q305-G308 PolarHBondContact O-N 2.82Å; F306-G308 PolarHBondContact O-N 3.19Å; G308-R312 WeakPolarHBondContact O-CG 3.31Å; G308-R312 VanDerWaalsContact O-CZ 3.32Å; G308-R312 PolarHBondContact O-N 2.88Å; G308-R312 PolarHBondContact O-NH1 3.41Å; G308-R312 VanDerWaalsContact O-NH1 3.17Å
309K93.8Very high86.7Confident125 Ų125110.7 Ų110.754%0.54353%0.526SS..Hα-helixtrans-67.8-48174.2-177.4-178.8175.8-173.10111.2Q305 F306 Q307 L311 R312 D313Q305-K309 WeakPolarHBondContact O-CB 3.36Å; Q305-K309 PolarHBondContact O-N 3.15Å; F306-K309 PolarHBondContact O-N 3.01Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.39Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.39Å; K309-R312 PolarHBondContact O-N 2.89Å; K309-D313 WeakPolarHBondContact CE-OD2 3.49Å; K309-D313 WeakPolarHBondContact CG-OD2 3.37Å; K309-D313 VanDerWaalsContact O-CG 3.31Å; K309-D313 PolarHBondContact O-N 3.15Å
310L91.9Very high84.5Confident58 Ų58117.1 Ų117.130%0.30455%0.551SS.*Hα-helixtrans-61.1-43.4-178.4-171.565.2000111.5F306 Q307 R312 D313 L314F306-L310 HydrophobicContact CE1-CD2 4.18Å; F306-L310 HydrophobicContact CZ-CD2 4.03Å; F306-L310 WeakPolarHBondContact O-CB 3.34Å; F306-L310 PolarHBondContact O-N 3.33Å; Q307-L310 PolarHBondContact O-N 2.79Å; L310-R312 PolarHBondContact O-N 3.49Å; L310-D313 PolarHBondContact O-N 3.44Å; L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CD2-CD1 4.48Å; L310-L314 HydrophobicContact CG-CD1 3.79Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.05Å; L310-L314 PolarHBondContact O-N 3.29Å
311L90.9Very high82.2Confident83 Ų83121.8 Ų121.844%0.43557%0.571SS.*Hα-helixtrans-60.1-45.7175.8-164.775.7000111.5Q307 K309 D313 L314 E315Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 PolarHBondContact O-N 3.45Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.39Å; L311-D313 PolarHBondContact O-N 3.49Å; L311-L314 PolarHBondContact O-N 3.4Å; L311-E315 HydrophobicContact CD1-CG 4.18Å; L311-E315 WeakPolarHBondContact CD1-OE1 3.37Å; L311-E315 VanDerWaalsContact CD1-OE2 3.24Å; L311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; L311-E315 WeakPolarHBondContact CG-OE2 3.37Å; L311-E315 WeakPolarHBondContact O-CB 3.39Å; L311-E315 PolarHBondContact O-N 3.16Å
312R90.4Very high80.3Confident138 Ų138116.9 Ų116.952%0.52156%0.561SS.*Hα-helixtrans-59.2-46.6175.8-76.8-169.7-55.8-88.60.8112.6G308 K309 L310 L314 Y316G308-R312 WeakPolarHBondContact O-CG 3.31Å; G308-R312 VanDerWaalsContact O-CZ 3.32Å; G308-R312 PolarHBondContact O-N 2.88Å; G308-R312 PolarHBondContact O-NH1 3.41Å; G308-R312 VanDerWaalsContact O-NH1 3.17Å; K309-R312 PolarHBondContact O-N 2.89Å; L310-R312 PolarHBondContact O-N 3.49Å; R312-L314 VanDerWaalsContact C-N 3.33Å; R312-L314 PolarHBondContact O-N 2.98Å; R312-Y316 HydrophobicContact CB-CD2 4.36Å; R312-Y316 HydrophobicContact CG-CD2 4.15Å; R312-Y316 HydrophobicContact CG-CE2 4.21Å; R312-Y316 WeakPolarHBondContact O-CB 3.44Å; R312-Y316 PolarHBondContact O-N 2.89Å
313D90.4Very high78.4Confident96 Ų96121.5 Ų121.551%0.51358%0.584SS.*Hα-helixtrans-70.2-30.6-175.5-67.3-17.1000112.1K309 L310 L311K309-D313 WeakPolarHBondContact CE-OD2 3.49Å; K309-D313 WeakPolarHBondContact CG-OD2 3.37Å; K309-D313 VanDerWaalsContact O-CG 3.31Å; K309-D313 PolarHBondContact O-N 3.15Å; L310-D313 PolarHBondContact O-N 3.44Å; L311-D313 PolarHBondContact O-N 3.49Å
314L89.6Confident76.6Confident110 Ų110121.3 Ų121.358%0.57659%0.588SS**Hα-helixtrans-90.9-32.6-177.8-64.5179.8000114.5L310 L311 R312L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CD2-CD1 4.48Å; L310-L314 HydrophobicContact CG-CD1 3.79Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.05Å; L310-L314 PolarHBondContact O-N 3.29Å; L311-L314 PolarHBondContact O-N 3.4Å; R312-L314 VanDerWaalsContact C-N 3.33Å; R312-L314 PolarHBondContact O-N 2.98Å
315E83.8Confident74.4Confident113 Ų113123.5 Ų123.553%0.52860%0.602SS.*Hα-helixtrans-108-30.3-171-61.7-17717400114.1L311 K317 T318L311-E315 HydrophobicContact CD1-CG 4.18Å; L311-E315 WeakPolarHBondContact CD1-OE1 3.37Å; L311-E315 VanDerWaalsContact CD1-OE2 3.24Å; L311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; L311-E315 WeakPolarHBondContact CG-OE2 3.37Å; L311-E315 WeakPolarHBondContact O-CB 3.39Å; L311-E315 PolarHBondContact O-N 3.16Å; E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.35Å; E315-T318 PolarHBondContact O-OG1 3.16Å
316Y70.8Confident72.3Confident179 Ų179125.1 Ų125.170%0.70263%0.625SS**THydrogen-bonded Turntrans-85.41.5-170.7-77.6-98.9000115R312R312-Y316 HydrophobicContact CB-CD2 4.36Å; R312-Y316 HydrophobicContact CG-CD2 4.15Å; R312-Y316 HydrophobicContact CG-CE2 4.21Å; R312-Y316 WeakPolarHBondContact O-CB 3.44Å; R312-Y316 PolarHBondContact O-N 2.89Å
317K58.2Low71.2Confident189 Ų189125.7 Ų125.782%0.82263%0.632SS**THydrogen-bonded Turntrans-105.311.2176.4-79.6-169.9176.5-178.40114.5E315 D319E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.35Å; K317-D319 PolarHBondContact O-N 2.92Å
318T56.4Low70Confident109 Ų109125.8 Ų125.867%0.66963%0.634SS**  trans-88.388.6173.254.90000109.6E315 F320E315-T318 PolarHBondContact O-OG1 3.16Å; T318-F320 PolarHBondContact O-N 3.49Å
319D52.2Low68.7Low149 Ų149131.4 Ų131.480%0.79766%0.656SS**  trans-53.4130.4154.2-80.1-38.4000108.2K317 F321K317-D319 PolarHBondContact O-N 2.92Å; D319-F321 PolarHBondContact O-N 3.38Å
320F49.5Very low67.3Low205 Ų205131.8 Ų131.890%0.89966%0.663SS**  trans-43.8104179.1-70.1-98.2000111.8T318 C322T318-F320 PolarHBondContact O-N 3.49Å; F320-C322 PolarHBondContact O-N 2.94Å
321F47.7Very low65.7Low191 Ų191136.4 Ų136.484%0.83869%0.685SS**  trans-79.195.9154.1-104.6-94.9000106.8D319 P323D319-F321 PolarHBondContact O-N 3.38Å; F321-P323 VanDerWaalsContact O-CD 3.26Å; F321-P323 WeakPolarHBondContact O-CD 3.4Å
322C56.4Low64Low62 Ų62140 Ų14042%0.41970%0.702SS.*  trans-68.4122.9152.4-164.20000106.3F320 C324F320-C322 PolarHBondContact O-N 2.94Å; C322-C324 HydrophobicContact CB-CB 4.41Å; C322-C324 VanDerWaalsContact CB-O 3.3Å; C322-C324 WeakPolarHBondContact CB-O 3.25Å; C322-C324 WeakPolarHBondContact CB-SG 3.41Å; C322-C324 PolarHBondContact O-N 3.14Å; C322-C324 VanDerWaalsContact O-N 3.16Å; C322-C324 WeakPolarHBondContact SG-CB 3.11Å; C322-C324 PolarHBondContact SG-N 3.18Å; C322-C324 CovalentContact SG-SG 2.07Å; C322-C324 PolarHBondContact SG-SG 3.03Å
323P56.4Low62.2Low130 Ų130140.1 Ų140.184%0.84472%0.715SS**SBendtrans-63.1-14.8168.925.1-32.5000112F321F321-P323 VanDerWaalsContact O-CD 3.26Å; F321-P323 WeakPolarHBondContact O-CD 3.4Å
324C57.1Low60Low60 Ų60143.5 Ų143.541%0.40573%0.73SS.*SBendtrans-85.2101.5164.670.10000109.4C322 C326C322-C324 HydrophobicContact CB-CB 4.41Å; C322-C324 VanDerWaalsContact CB-O 3.3Å; C322-C324 WeakPolarHBondContact CB-O 3.25Å; C322-C324 WeakPolarHBondContact CB-SG 3.41Å; C322-C324 PolarHBondContact O-N 3.14Å; C322-C324 VanDerWaalsContact O-N 3.16Å; C322-C324 WeakPolarHBondContact SG-CB 3.11Å; C322-C324 PolarHBondContact SG-N 3.18Å; C322-C324 CovalentContact SG-SG 2.07Å; C322-C324 PolarHBondContact SG-SG 3.03Å; C324-C326 VanDerWaalsContact CB-SG 3.55Å; C324-C326 PolarHBondContact O-N 2.98Å; C324-C326 PolarHBondContact SG-SG 3.02Å
325K49.8Very low57.5Low208 Ų208146.3 Ų146.390%0.90474%0.743SS**  trans-72.252.6168.7-72.7-177.2170.5-179.70111.2
326C52Low55.1Low161 Ų161149.4 Ų149.4100%1.08876%0.762SS**  trans-109.50169.459.20000109.3C324C324-C326 VanDerWaalsContact CB-SG 3.55Å; C324-C326 PolarHBondContact O-N 2.98Å; C324-C326 PolarHBondContact SG-SG 3.02Å

Retrieved 326 of 326 residues in 433.5 ms (Link to these results)