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Histidine N-acetyltransferase

Enzyme responsible for the N-acetyl-histidine (NAH) synthesis, which is a major constituent of brain and lens of ectothermic vertebrates.

AlphaFold DB , UniProt , Accession A0A060YG77, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531460, Length 347 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
1M35.3Very low40.2Very low241 Ų241161.1 Ų161.1100%1.18781%0.808SS**  098.40-149.1170.1-173.700106.3
2K29.4Very low42.9Very low208 Ų208153 Ų15390%0.90477%0.769SS**  trans-81.8117.4178.8-79.7-178.4174-178.30106.9E4K2-E4 PolarHBondContact O-N 3.36Å
3I32.7Very low45.4Very low145 Ų145143.4 Ų143.474%0.74472%0.724SS**  trans-83.2103.4173.2-60.9173.7000105.8N5I3-N5 PolarHBondContact O-N 3.16Å; I3-N5 VanDerWaalsContact O-N 3.16Å
4E32.4Very low46.6Very low171 Ų171146.6 Ų146.680%0.79974%0.735SS**  trans-71.996.5167-77.1-179.2163.500108.3K2 S6K2-E4 PolarHBondContact O-N 3.36Å; E4-S6 PolarHBondContact O-N 3.23Å
5N34.1Very low47.4Very low154 Ų154140.3 Ų140.382%0.82471%0.707SS**  trans-8473.2162.4-90.4-2.1000108.5I3I3-N5 PolarHBondContact O-N 3.16Å; I3-N5 VanDerWaalsContact O-N 3.16Å
6S34.5Very low48Very low94 Ų94135.5 Ų135.566%0.65769%0.689SS**  trans-89.2102.116444.80000108.2E4E4-S6 PolarHBondContact O-N 3.23Å
7L35.5Very low48.3Very low160 Ų160135.2 Ų135.284%0.83870%0.698SS**PPolyproline II helixtrans-54.9137.6166-75159.9000108.6R9L7-R9 PolarHBondContact O-N 3.25Å
8P40.7Very low48.8Very low119 Ų119138.3 Ų138.377%0.77371%0.709SS**PPolyproline II helixtrans-58.8127.1177.8-19.429.7000110.1
9R49.4Very low49.8Very low230 Ų230133.7 Ų133.787%0.86869%0.688SS**PPolyproline II helixtrans-58.1134.2168.8-75.1-177.9178.4175.8-1.6108.3L7 Q11L7-R9 PolarHBondContact O-N 3.25Å; R9-Q11 PolarHBondContact O-N 3.27Å; R9-Q11 VanDerWaalsContact O-N 3.13Å
10P53.3Low51.6Low71 Ų71129.9 Ų129.946%0.46168%0.683SS.*PPolyproline II helixtrans-55.5122.7176.9-20.529.9000109.7L12P10-L12 PolarHBondContact O-N 3.13Å
11Q64.7Low53.5Low179 Ų179124.4 Ų124.484%0.83665%0.654SS**PPolyproline II helixtrans-71.1116.4170.4-74.9-177.8-11.100107.9R9R9-Q11 PolarHBondContact O-N 3.27Å; R9-Q11 VanDerWaalsContact O-N 3.13Å
12L73.4Confident56.3Low64 Ų64118.3 Ų118.334%0.33562%0.623SS.*PPolyproline II helixtrans-76143.2177.8-71.1170000109.9P10 F23 V25 I64 F110 L114P10-L12 PolarHBondContact O-N 3.13Å; L12-F23 WeakPolarHBondContact CD1-O 3.37Å; L12-V25 HydrophobicContact CD2-CG2 4.04Å; L12-I64 HydrophobicContact CD2-CD1 4.43Å; L12-F110 HydrophobicContact CB-CZ 4.05Å; L12-F110 HydrophobicContact CD2-CE1 4.02Å; L12-F110 HydrophobicContact CD2-CZ 3.81Å; L12-F110 HydrophobicContact CG-CZ 4.41Å; L12-L114 HydrophobicContact CD2-CD1 4.2Å; L12-L114 HydrophobicContact CD2-CD2 4.13Å
13P74.3Confident59.5Low28 Ų28109 Ų10918%0.18258%0.583CS.*PPolyproline II helixtrans-53.4149.2171.2-25.130.8000112.2T15 F110 Q113 L114P13-T15 PolarHBondContact O-N 3.11Å; P13-F110 HydrophobicContact CB-CD2 4.25Å; P13-F110 HydrophobicContact CB-CE2 3.87Å; P13-F110 HydrophobicContact CG-CD2 4.44Å; P13-F110 HydrophobicContact CG-CE2 4.04Å; P13-F110 HydrophobicContact CG-CZ 4.26Å; P13-F110 WeakPolarHBondContact O-CE2 3.47Å; P13-Q113 HydrophobicContact CB-CB 4.39Å; P13-Q113 HydrophobicContact CG-CB 4.07Å; P13-L114 HydrophobicContact CG-CB 3.9Å
14E63.4Low62.6Low189 Ų189104.3 Ų104.388%0.88356%0.56SS**PPolyproline II helixtrans-64.5127.8171.9-69.8-169.216800110.5
15T58.7Low65.7Low52 Ų5298.7 Ų98.732%0.31954%0.538SS..PPolyproline II helixtrans-71.8133.1-179.5-32.30000110.5P13 P17 L21 F23P13-T15 PolarHBondContact O-N 3.11Å; T15-P17 WeakPolarHBondContact O-CD 3.41Å; T15-P17 VanDerWaalsContact O-N 3.15Å; T15-L21 VanDerWaalsContact CG2-O 3.27Å; T15-L21 WeakPolarHBondContact CG2-O 3.44Å; T15-F23 HydrophobicContact CG2-CD2 3.53Å; T15-F23 HydrophobicContact CG2-CE2 3.49Å; T15-F23 VanDerWaalsContact CG2-CE2 3.49Å
16P56.3Low68.7Low63 Ų6391.6 Ų91.641%0.40950%0.501SS..PPolyproline II helixtrans-56.1122.7171.4-23.332000109.8Q18 T19P16-Q18 PolarHBondContact O-N 2.76Å; P16-T19 PolarHBondContact O-N 3.29Å
17P53.3Low71.7Confident131 Ų13190.2 Ų90.285%0.85149%0.488SS*.THydrogen-bonded Turntrans-58.3-16.7-172.6-25.231.5000114.7T15T15-P17 WeakPolarHBondContact O-CD 3.41Å; T15-P17 VanDerWaalsContact O-N 3.15Å
18Q57.7Low74.5Confident191 Ų19189.3 Ų89.389%0.89348%0.48SS*.THydrogen-bonded Turntrans-87.1-7.8-167.3-62.8-177.3-6.100114.8P16P16-Q18 PolarHBondContact O-N 2.76Å
19T67.8Low77.2Confident50 Ų5092.3 Ų92.331%0.30748%0.483SS..SBendtrans-98-17.5-173.364.40000114.4P16 L21 V106P16-T19 PolarHBondContact O-N 3.29Å; T19-L21 PolarHBondContact O-N 3.18Å; T19-L21 VanDerWaalsContact O-N 3.13Å; T19-L21 PolarHBondContact OG1-N 2.72Å; T19-V106 HydrophobicContact CG2-CG1 4.07Å; T19-V106 HydrophobicContact CG2-CG2 4.41Å
20G84.4Confident79.4Confident57 Ų5782 Ų8259%0.58845%0.446SS*.  trans62.112.7-171.800000113.8
21L92.6Very high81.4Confident16 Ų1682 Ų828%0.08444%0.438CS..  trans-93.4147.2176.1-59.1-176.8000109.9T15 T19 F23 R67 K68 I73 V103 V106T15-L21 VanDerWaalsContact CG2-O 3.27Å; T15-L21 WeakPolarHBondContact CG2-O 3.44Å; T19-L21 PolarHBondContact O-N 3.18Å; T19-L21 VanDerWaalsContact O-N 3.13Å; T19-L21 PolarHBondContact OG1-N 2.72Å; L21-F23 HydrophobicContact CB-CE2 4.26Å; L21-F23 HydrophobicContact CB-CZ 4.12Å; L21-F23 HydrophobicContact CD1-CZ 4.18Å; L21-R67 CarbonylContact C-O 3.55Å; L21-R67 WeakPolarHBondContact CA-O 3.39Å; L21-K68 HydrophobicContact CD2-CB 4.13Å; L21-K68 HydrophobicContact CD2-CD 4.39Å; L21-K68 HydrophobicContact CD2-CG 4.47Å; L21-I73 HydrophobicContact CD2-CD1 3.57Å; L21-V103 HydrophobicContact CD1-CG1 4.44Å; L21-V106 HydrophobicContact CD1-CB 4.35Å; L21-V106 HydrophobicContact CD1-CG1 4.2Å
22Q94.7Very high82.8Confident113 Ų11379.6 Ų79.653%0.52843%0.431SS..EExtended strand (participates in β ladder)trans-118.2143.3169.3-65.7172.40.600107.7A66 R67Q22-A66 CarbonylContact O-C 2.98Å; Q22-A66 WeakPolarHBondContact O-CA 3.49Å; Q22-R67 HydrophobicContact CB-CB 4.31Å; Q22-R67 PolarHBondContact N-O 3.4Å; Q22-R67 PolarHBondContact O-N 3.19Å
23F96.1Very high83.8Confident13 Ų1379.9 Ų79.96%0.05743%0.431CS..EExtended strand (participates in β ladder)trans-115.4136178.2-62.5-76.8000109.9L12 T15 L21 I64 L65 A66 V106 L107 F110L12-F23 WeakPolarHBondContact CD1-O 3.37Å; T15-F23 HydrophobicContact CG2-CD2 3.53Å; T15-F23 HydrophobicContact CG2-CE2 3.49Å; T15-F23 VanDerWaalsContact CG2-CE2 3.49Å; L21-F23 HydrophobicContact CB-CE2 4.26Å; L21-F23 HydrophobicContact CB-CZ 4.12Å; L21-F23 HydrophobicContact CD1-CZ 4.18Å; F23-I64 HydrophobicContact CB-CG2 4.34Å; F23-I64 HydrophobicContact CD1-CG2 4.24Å; F23-L65 VanDerWaalsContact CA-O 3.28Å; F23-L65 WeakPolarHBondContact CA-O 3.36Å; F23-A66 HydrophobicContact CD1-CB 3.97Å; F23-A66 HydrophobicContact CE1-CB 3.64Å; F23-V106 HydrophobicContact CE2-CG1 4.42Å; F23-V106 HydrophobicContact CZ-CG1 3.88Å; F23-L107 HydrophobicContact CD1-CD1 3.71Å; F23-L107 HydrophobicContact CE1-CB 4.17Å; F23-L107 HydrophobicContact CE1-CD1 3.62Å; F23-L107 HydrophobicContact CE1-CG 4.49Å; F23-F110 HydrophobicContact CB-CD1 3.87Å; F23-F110 HydrophobicContact CB-CD2 4.11Å; F23-F110 HydrophobicContact CB-CE1 3.46Å; F23-F110 VanDerWaalsContact CB-CE1 3.46Å; F23-F110 HydrophobicContact CB-CE2 3.7Å; F23-F110 HydrophobicContact CB-CG 4.17Å; F23-F110 HydrophobicContact CB-CZ 3.34Å; F23-F110 HydrophobicContact CD1-CB 4.4Å; F23-F110 HydrophobicContact CD1-CD1 4Å; F23-F110 HydrophobicContact CD1-CE1 4.44Å; F23-F110 HydrophobicContact CD1-CG 4.05Å; F23-F110 HydrophobicContact CD2-CB 4.25Å; F23-F110 HydrophobicContact CD2-CD1 4.23Å; F23-F110 AromaticContact CD2-CD2 3.37Å; F23-F110 HydrophobicContact CD2-CD2 3.37Å; F23-F110 HydrophobicContact CD2-CE1 4.48Å; F23-F110 AromaticContact CD2-CE2 3.65Å; F23-F110 HydrophobicContact CD2-CE2 3.65Å; F23-F110 AromaticContact CD2-CG 3.68Å; F23-F110 HydrophobicContact CD2-CG 3.68Å; F23-F110 HydrophobicContact CD2-CZ 4.19Å; F23-F110 HydrophobicContact CE1-CB 4.28Å; F23-F110 HydrophobicContact CE1-CG 4.4Å; F23-F110 HydrophobicContact CE2-CB 4.12Å; F23-F110 AromaticContact CE2-CD2 3.9Å; F23-F110 HydrophobicContact CE2-CD2 3.9Å; F23-F110 HydrophobicContact CE2-CG 4.05Å; F23-F110 HydrophobicContact CG-CB 4.4Å; F23-F110 AromaticContact CG-CD1 3.76Å; F23-F110 HydrophobicContact CG-CD1 3.76Å; F23-F110 AromaticContact CG-CD2 3.76Å; F23-F110 HydrophobicContact CG-CD2 3.76Å; F23-F110 AromaticContact CG-CE1 3.9Å; F23-F110 HydrophobicContact CG-CE1 3.9Å; F23-F110 AromaticContact CG-CE2 3.87Å; F23-F110 HydrophobicContact CG-CE2 3.87Å; F23-F110 AromaticContact CG-CG 3.68Å; F23-F110 HydrophobicContact CG-CG 3.68Å; F23-F110 AromaticContact CG-CZ 3.93Å; F23-F110 HydrophobicContact CG-CZ 3.93Å; F23-F110 HydrophobicContact CZ-CB 4.15Å; F23-F110 HydrophobicContact CZ-CG 4.41Å
24T97Very high84.8Confident45 Ų4578.6 Ų78.628%0.27642%0.422SS..EExtended strand (participates in β ladder)trans-136.5150.2178.8560000110.2L65T24-L65 PolarHBondContact N-O 3.15Å; T24-L65 PolarHBondContact O-N 2.62Å
25V97.4Very high86.1Confident53 Ų5371.4 Ų71.432%0.32139%0.39SS..EExtended strand (participates in β ladder)trans-72.2133.5166.6-178.20000107.9L12 T62 V63 I64L12-V25 HydrophobicContact CD2-CG2 4.04Å; V25-T62 HydrophobicContact CG1-CG2 4.11Å; V25-T62 HydrophobicContact CG2-CG2 4.26Å; V25-V63 WeakPolarHBondContact CA-O 3.42Å; V25-I64 HydrophobicContact CG2-CD1 4.11Å
26A97.6Very high87.6Confident6 Ų672.1 Ų72.15%0.0540%0.401CS..  trans-71.115218000000111.7D30 Y52 L56 V63 L65A26-D30 WeakPolarHBondContact CA-OD2 3.47Å; A26-Y52 HydrophobicContact CB-CE2 4.39Å; A26-Y52 VanDerWaalsContact CB-OH 3.28Å; A26-Y52 WeakPolarHBondContact CB-OH 3.38Å; A26-L56 HydrophobicContact CB-CD2 4.43Å; A26-V63 HydrophobicContact CB-CB 3.79Å; A26-V63 HydrophobicContact CB-CG1 3.66Å; A26-V63 PolarHBondContact N-O 2.85Å; A26-L65 HydrophobicContact CB-CD1 3.84Å; A26-L65 HydrophobicContact CB-CD2 3.89Å; A26-L65 HydrophobicContact CB-CG 3.7Å
27T96.9Very high89.3Confident64 Ų6469.6 Ų69.639%0.39338%0.384SS..  trans-135.3171.2-179.267.10000109.9E29 D30 Y52T27-E29 PolarHBondContact O-N 3.38Å; T27-E29 PolarHBondContact OG1-N 2.88Å; T27-D30 WeakPolarHBondContact CA-OD2 3.46Å; T27-D30 PolarHBondContact N-OD2 2.95Å; T27-D30 PolarHBondContact O-N 3.43Å; T27-D30 VanDerWaalsContact O-N 3.15Å; T27-D30 PolarHBondContact OG1-OD2 3.15Å; T27-Y52 PolarHBondContact O-OH 2.89Å
28E95.4Very high90.7Very high141 Ų14163.7 Ų63.766%0.65935%0.345SS*.G310 helixtrans-59.2-32.6176.4-65.8-179.417900112.3D30 F31 L56E28-D30 PolarHBondContact O-N 3.35Å; E28-F31 WeakPolarHBondContact O-CB 3.41Å; E28-F31 PolarHBondContact O-N 3.35Å; E28-L56 HydrophobicContact CB-CD1 4.49Å; E28-L56 HydrophobicContact CG-CD1 3.72Å
29E96.4Very high91.5Very high182 Ų18261.2 Ų61.285%0.8533%0.334SS*.G310 helixtrans-65.5-21.6179.4-60.4-178.9-179.200113.1T27 F31T27-E29 PolarHBondContact O-N 3.38Å; T27-E29 PolarHBondContact OG1-N 2.88Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.93Å
30D96.6Very high91.8Very high15 Ų1563 Ų638%0.0834%0.341CS..G310 helixtrans-81.3-7.5-178.9-59.1-68.4000113.3A26 T27 E28 D32 E33 I34 L65 R67A26-D30 WeakPolarHBondContact CA-OD2 3.47Å; T27-D30 WeakPolarHBondContact CA-OD2 3.46Å; T27-D30 PolarHBondContact N-OD2 2.95Å; T27-D30 PolarHBondContact O-N 3.43Å; T27-D30 VanDerWaalsContact O-N 3.15Å; T27-D30 PolarHBondContact OG1-OD2 3.15Å; E28-D30 PolarHBondContact O-N 3.35Å; D30-D32 PolarHBondContact O-N 3.35Å; D30-E33 PolarHBondContact O-N 3.48Å; D30-I34 HydrophobicContact CB-CD1 3.73Å; D30-I34 HydrophobicContact CB-CG1 4.3Å; D30-I34 WeakPolarHBondContact O-CD1 3.4Å; D30-I34 VanDerWaalsContact O-CG1 3.25Å; D30-I34 WeakPolarHBondContact O-CG1 3.15Å; D30-I34 PolarHBondContact O-N 2.77Å; D30-L65 HydrophobicContact CB-CD1 3.61Å; D30-R67 IonicContact OD1-CZ 3.69Å; D30-R67 IonicContact OD1-NH2 3.35Å; D30-R67 PolarHBondContact OD1-NH2 2.75Å
31F94.6Very high91.6Very high69 Ų6961.3 Ų61.330%0.30332%0.318SS..Hα-helixtrans-52.1-51.4-170.5-178.4-95.6000112.7E28 E29 E33 I34 M35 P49 Y52E28-F31 WeakPolarHBondContact O-CB 3.41Å; E28-F31 PolarHBondContact O-N 3.35Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.93Å; F31-E33 PolarHBondContact O-N 2.83Å; F31-I34 PolarHBondContact O-N 2.65Å; F31-M35 HydrophobicContact CD1-CG 4.04Å; F31-M35 HydrophobicContact CD2-CE 4.11Å; F31-M35 HydrophobicContact CE1-CG 3.69Å; F31-M35 HydrophobicContact CE2-CE 3.9Å; F31-M35 HydrophobicContact CE2-CG 4.22Å; F31-M35 HydrophobicContact CE2-SD 4.33Å; F31-M35 HydrophobicContact CG-CG 4.45Å; F31-M35 HydrophobicContact CZ-CE 4.35Å; F31-M35 HydrophobicContact CZ-CG 3.79Å; F31-M35 HydrophobicContact CZ-SD 4.2Å; F31-M35 WeakPolarHBondContact O-CG 3.5Å; F31-M35 PolarHBondContact O-N 3.12Å; F31-P49 HydrophobicContact CZ-CB 4.33Å; F31-Y52 HydrophobicContact CB-CE1 4.28Å; F31-Y52 AromaticContact CD2-CD1 3.61Å; F31-Y52 HydrophobicContact CD2-CD1 3.61Å; F31-Y52 HydrophobicContact CD2-CE1 4.19Å; F31-Y52 HydrophobicContact CD2-CG 4.2Å; F31-Y52 HydrophobicContact CE2-CD1 4.38Å
32D93.6Very high91.1Very high129 Ų12965.3 Ų65.369%0.6933%0.333SS*.Hα-helixtrans-64.9-40.2-176.4-70.2-24000112.4D30 I34 M35 A36D30-D32 PolarHBondContact O-N 3.35Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 3.25Å; D32-M35 PolarHBondContact O-N 3.01Å; D32-A36 WeakPolarHBondContact O-CB 3.21Å; D32-A36 PolarHBondContact O-N 3.09Å
33E94.6Very high90.2Very high71 Ų7162.1 Ų62.133%0.33233%0.33SS..Hα-helixtrans-64.9-38.9176-72.7-163.7-105.900111.6D30 F31 A36 I37 R67 V72D30-E33 PolarHBondContact O-N 3.48Å; F31-E33 PolarHBondContact O-N 2.83Å; E33-A36 PolarHBondContact O-N 2.9Å; E33-I37 PolarHBondContact O-N 3.22Å; E33-R67 IonicContact OE1-CZ 2.7Å; E33-R67 IonicContact OE1-NH1 2.96Å; E33-R67 PolarHBondContact OE1-NH1 2.6Å; E33-R67 IonicContact OE1-NH2 3.14Å; E33-R67 PolarHBondContact OE1-NH2 2.93Å; E33-R67 IonicContact OE2-NH1 2.6Å; E33-R67 PolarHBondContact OE2-NH1 2.96Å; E33-V72 HydrophobicContact CB-CB 3.97Å; E33-V72 HydrophobicContact CB-CG2 3.73Å; E33-V72 HydrophobicContact CG-CG2 4.38Å; E33-V72 PolarHBondContact OE2-N 2.95Å
34I94.7Very high89.4Confident0 Ų062.5 Ų62.50%034%0.338CS..Hα-helixtrans-66.5-44177.2-66.2161.9000110.6D30 F31 D32 A36 I37 S38 L48 Y52 L65 V72 L75D30-I34 HydrophobicContact CB-CD1 3.73Å; D30-I34 HydrophobicContact CB-CG1 4.3Å; D30-I34 WeakPolarHBondContact O-CD1 3.4Å; D30-I34 VanDerWaalsContact O-CG1 3.25Å; D30-I34 WeakPolarHBondContact O-CG1 3.15Å; D30-I34 PolarHBondContact O-N 2.77Å; F31-I34 PolarHBondContact O-N 2.65Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 3.25Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 3.09Å; I34-I37 WeakPolarHBondContact O-CG1 3.43Å; I34-I37 PolarHBondContact O-N 2.93Å; I34-S38 WeakPolarHBondContact O-CB 3.43Å; I34-S38 PolarHBondContact O-N 2.9Å; I34-S38 PolarHBondContact O-OG 3.47Å; I34-L48 HydrophobicContact CG2-CD2 3.73Å; I34-Y52 HydrophobicContact CD1-CD2 4.49Å; I34-Y52 HydrophobicContact CD1-CE1 4.43Å; I34-Y52 HydrophobicContact CD1-CE2 3.56Å; I34-Y52 VanDerWaalsContact CD1-OH 3.26Å; I34-Y52 WeakPolarHBondContact CD1-OH 3.41Å; I34-L65 HydrophobicContact CD1-CD1 4.39Å; I34-L65 HydrophobicContact CD1-CD2 3.82Å; I34-L65 HydrophobicContact CG1-CD2 3.87Å; I34-V72 HydrophobicContact CG1-CG1 4.49Å; I34-L75 HydrophobicContact CB-CD1 4.34Å; I34-L75 HydrophobicContact CD1-CD1 3.7Å; I34-L75 HydrophobicContact CG1-CD1 3.86Å; I34-L75 HydrophobicContact CG2-CD1 3.48Å; I34-L75 VanDerWaalsContact CG2-CD1 3.48Å
35M91.6Very high88.7Confident39 Ų3961.5 Ų61.519%0.19233%0.331CS..Hα-helixtrans-64.5-36.2177.7-66.6-46.911500111.4F31 D32 I37 S38 Q39 L48 P49F31-M35 HydrophobicContact CD1-CG 4.04Å; F31-M35 HydrophobicContact CD2-CE 4.11Å; F31-M35 HydrophobicContact CE1-CG 3.69Å; F31-M35 HydrophobicContact CE2-CE 3.9Å; F31-M35 HydrophobicContact CE2-CG 4.22Å; F31-M35 HydrophobicContact CE2-SD 4.33Å; F31-M35 HydrophobicContact CG-CG 4.45Å; F31-M35 HydrophobicContact CZ-CE 4.35Å; F31-M35 HydrophobicContact CZ-CG 3.79Å; F31-M35 HydrophobicContact CZ-SD 4.2Å; F31-M35 WeakPolarHBondContact O-CG 3.5Å; F31-M35 PolarHBondContact O-N 3.12Å; D32-M35 PolarHBondContact O-N 3.01Å; M35-I37 VanDerWaalsContact C-N 3.31Å; M35-I37 PolarHBondContact O-N 3.48Å; M35-S38 PolarHBondContact O-N 3.3Å; M35-Q39 PolarHBondContact O-N 3.2Å; M35-L48 HydrophobicContact CE-CD2 4.09Å; M35-L48 HydrophobicContact CE-CG 4.04Å; M35-P49 HydrophobicContact SD-CB 4.22Å; M35-P49 HydrophobicContact SD-CG 3.64Å
36A90.6Very high88.2Confident67 Ų6759.8 Ų59.855%0.55432%0.32SS*.Hα-helixtrans-61.5-35.8176.300000113.2D32 E33 I34 S38D32-A36 WeakPolarHBondContact O-CB 3.21Å; D32-A36 PolarHBondContact O-N 3.09Å; E33-A36 PolarHBondContact O-N 2.9Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 3.09Å; A36-S38 VanDerWaalsContact C-N 3.3Å
37I91.3Very high87.8Confident10 Ų1061.8 Ų61.85%0.05133%0.326CS..Hα-helixtrans-83.8-7.5175.166.8160.7000113.4E33 I34 M35 V72 R93 A95E33-I37 PolarHBondContact O-N 3.22Å; I34-I37 WeakPolarHBondContact O-CG1 3.43Å; I34-I37 PolarHBondContact O-N 2.93Å; M35-I37 VanDerWaalsContact C-N 3.31Å; M35-I37 PolarHBondContact O-N 3.48Å; I37-V72 HydrophobicContact CD1-CG1 3.88Å; I37-R93 HydrophobicContact CD1-CB 3.92Å; I37-R93 HydrophobicContact CG1-CB 4.42Å; I37-A95 HydrophobicContact CB-CB 4.16Å; I37-A95 HydrophobicContact CG2-CB 3.75Å
38S83.5Confident87.5Confident6 Ų658.7 Ų58.74%0.04231%0.308CS..THydrogen-bonded Turntrans-97.10.5-178.9-560000113.8I34 M35 A36 D40 I41 D46 R93I34-S38 WeakPolarHBondContact O-CB 3.43Å; I34-S38 PolarHBondContact O-N 2.9Å; I34-S38 PolarHBondContact O-OG 3.47Å; M35-S38 PolarHBondContact O-N 3.3Å; A36-S38 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact O-N 3.34Å; S38-I41 WeakPolarHBondContact O-CB 3.24Å; S38-I41 VanDerWaalsContact O-CG1 3.3Å; S38-I41 WeakPolarHBondContact O-CG1 3.22Å; S38-I41 PolarHBondContact O-N 2.88Å; S38-D46 WeakPolarHBondContact CB-OD2 3.36Å; S38-R93 WeakPolarHBondContact OG-CD 3.47Å; S38-R93 PolarHBondContact OG-NE 2.78Å
39Q75Confident87.2Confident140 Ų14053.7 Ų53.765%0.65429%0.287SS*.THydrogen-bonded Turntrans-54134.5179.7-167.2172.618.400111.9M35 I41M35-Q39 PolarHBondContact O-N 3.2Å; Q39-I41 PolarHBondContact O-N 3.27Å
40D74Confident86.8Confident86 Ų8647.7 Ų47.746%0.4626%0.263SS..THydrogen-bonded Turntrans64.313.9178.8-64.9-17.3000116.5S38 R266S38-D40 PolarHBondContact O-N 3.34Å; D40-R266 IonicContact OD1-CZ 3.25Å; D40-R266 IonicContact OD1-NE 3.06Å; D40-R266 IonicContact OD1-NH1 2.89Å; D40-R266 PolarHBondContact OD1-NH1 3.21Å; D40-R266 IonicContact OD1-NH2 3.86Å; D40-R266 PolarHBondContact OD1-NH2 3.31Å; D40-R266 IonicContact OD2-CZ 2.65Å; D40-R266 VanDerWaalsContact OD2-CZ 3.25Å; D40-R266 IonicContact OD2-NH1 2.8Å; D40-R266 PolarHBondContact OD2-NH1 3.35Å; D40-R266 IonicContact OD2-NH2 3.24Å; D40-R266 PolarHBondContact OD2-NH2 3.36Å
41I80.4Confident86.5Confident22 Ų2250.5 Ų50.511%0.11327%0.273CS..G310 helixtrans-73142.3176.9-65.4178.8000111S38 Q39 G43 G44 R93S38-I41 WeakPolarHBondContact O-CB 3.24Å; S38-I41 VanDerWaalsContact O-CG1 3.3Å; S38-I41 WeakPolarHBondContact O-CG1 3.22Å; S38-I41 PolarHBondContact O-N 2.88Å; Q39-I41 PolarHBondContact O-N 3.27Å; I41-G43 PolarHBondContact O-N 3.27Å; I41-G44 PolarHBondContact O-N 3.29Å; I41-R93 HydrophobicContact CD1-CG 4.46Å; I41-R93 VanDerWaalsContact CG2-CZ 3.49Å
42Y80.3Confident86.4Confident101 Ų10147.3 Ų47.340%0.39626%0.259SS..G310 helixtrans53.125.4-178.3-50.3-46.9000114.3G44 L45 Y47 R93Y42-G44 VanDerWaalsContact C-N 3.31Å; Y42-G44 PolarHBondContact O-N 2.87Å; Y42-L45 PolarHBondContact O-N 3.08Å; Y42-Y47 HydrophobicContact CE2-CD1 4.27Å; Y42-Y47 AromaticContact CE2-CE1 3.84Å; Y42-Y47 HydrophobicContact CE2-CE1 3.84Å; Y42-R93 PolarHBondContact OH-NH1 3.44Å; Y42-R93 VanDerWaalsContact OH-NH1 3.1Å
43G77.6Confident86.4Confident45 Ų4545.5 Ų45.546%0.46425%0.252SS..G310 helixtrans71.822.4-179.500000114.3I41 P265I41-G43 PolarHBondContact O-N 3.27Å; G43-P265 WeakPolarHBondContact O-CA 3.42Å
44G78.9Confident86.3Confident21 Ų2144.5 Ų44.522%0.21626%0.256CS..THydrogen-bonded Turntrans93.711.8-176.600000113.8I41 Y42 V261 G264I41-G44 PolarHBondContact O-N 3.29Å; Y42-G44 VanDerWaalsContact C-N 3.31Å; Y42-G44 PolarHBondContact O-N 2.87Å; G44-V261 WeakPolarHBondContact O-CG1 3.38Å; G44-G264 CarbonylContact O-C 3.59Å
45L81.8Confident86.3Confident24 Ų2445 Ų4513%0.12626%0.258CS..  trans-102.240.7177.1-67171.5000111.5Y42 Y47 V261 P265 Y274 M307Y42-L45 PolarHBondContact O-N 3.08Å; L45-Y47 PolarHBondContact O-N 3.48Å; L45-V261 HydrophobicContact CD2-CG1 4.35Å; L45-V261 HydrophobicContact CD2-CG2 4.47Å; L45-P265 HydrophobicContact CD2-CB 4.49Å; L45-P265 HydrophobicContact CD2-CG 3.7Å; L45-P265 HydrophobicContact CG-CB 4.42Å; L45-P265 HydrophobicContact CG-CG 4.11Å; L45-Y274 HydrophobicContact CB-CE2 4.47Å; L45-Y274 HydrophobicContact CD1-CE2 4.2Å; L45-Y274 HydrophobicContact CD2-CD2 4.07Å; L45-Y274 HydrophobicContact CD2-CE2 4.32Å; L45-M307 HydrophobicContact CD1-CE 3.86Å; L45-M307 HydrophobicContact CD2-CB 4.46Å; L45-M307 HydrophobicContact CD2-CG 4.11Å
46D86.8Confident86.4Confident17 Ų1745.9 Ų45.99%0.09126%0.263CS..  trans-72.8118.6-178.7-161.2-9.5000110.5S38 L48 P49 R93S38-D46 WeakPolarHBondContact CB-OD2 3.36Å; D46-L48 VanDerWaalsContact OD1-CB 3.29Å; D46-L48 WeakPolarHBondContact OD1-CB 3.42Å; D46-L48 PolarHBondContact OD1-N 2.94Å; D46-P49 WeakPolarHBondContact O-CD 3.44Å; D46-R93 IonicContact OD1-CZ 2.78Å; D46-R93 IonicContact OD1-NH2 2.8Å; D46-R93 PolarHBondContact OD1-NH2 3.02Å; D46-R93 IonicContact OD2-CZ 3.86Å; D46-R93 IonicContact OD2-NE 3.02Å; D46-R93 IonicContact OD2-NH2 2.89Å; D46-R93 PolarHBondContact OD2-NH2 3.27Å
47Y88.5Confident86.5Confident48 Ų4847.4 Ų47.419%0.18827%0.27CS..  trans-83.5-19.1175.666.9-99.8000112.2Y42 L45 P49 T50 R51 W55 G91Y42-Y47 HydrophobicContact CE2-CD1 4.27Å; Y42-Y47 AromaticContact CE2-CE1 3.84Å; Y42-Y47 HydrophobicContact CE2-CE1 3.84Å; L45-Y47 PolarHBondContact O-N 3.48Å; Y47-P49 VanDerWaalsContact C-CD 3.41Å; Y47-T50 PolarHBondContact O-N 3.15Å; Y47-T50 PolarHBondContact O-OG1 2.87Å; Y47-R51 HydrophobicContact CD2-CB 4.43Å; Y47-R51 HydrophobicContact CD2-CG 3.85Å; Y47-R51 WeakPolarHBondContact O-CG 3.41Å; Y47-R51 PolarHBondContact O-N 2.91Å; Y47-W55 AromaticContact CE2-CH2 3.8Å; Y47-W55 HydrophobicContact CE2-CH2 3.8Å; Y47-W55 AromaticContact CE2-CZ2 3.81Å; Y47-W55 HydrophobicContact CE2-CZ2 3.81Å; Y47-G91 WeakPolarHBondContact OH-CA 3.43Å; Y47-G91 PolarHBondContact OH-N 2.87Å
48L90.9Very high86.6Confident0 Ų049.7 Ų49.70%028%0.28CS..Hα-helixtrans-57.5-41.2-173.1-173.859.9000113.3I34 M35 D46 T50 R51 Y52 W55 L75 R93I34-L48 HydrophobicContact CG2-CD2 3.73Å; M35-L48 HydrophobicContact CE-CD2 4.09Å; M35-L48 HydrophobicContact CE-CG 4.04Å; D46-L48 VanDerWaalsContact OD1-CB 3.29Å; D46-L48 WeakPolarHBondContact OD1-CB 3.42Å; D46-L48 PolarHBondContact OD1-N 2.94Å; L48-T50 PolarHBondContact O-N 2.8Å; L48-R51 PolarHBondContact O-N 3.42Å; L48-R51 VanDerWaalsContact O-N 3.12Å; L48-Y52 HydrophobicContact CD1-CD2 4.35Å; L48-Y52 WeakPolarHBondContact O-CB 3.3Å; L48-Y52 PolarHBondContact O-N 3.38Å; L48-W55 HydrophobicContact CD1-CE3 3.69Å; L48-W55 HydrophobicContact CD1-CH2 3.8Å; L48-W55 HydrophobicContact CD1-CZ3 3.27Å; L48-L75 HydrophobicContact CD2-CD1 4.31Å; L48-L75 HydrophobicContact CD2-CD2 4.45Å; L48-R93 HydrophobicContact CD2-CG 4.38Å
49P89.6Confident86.9Confident36 Ų3654.5 Ų54.523%0.23431%0.314CS..Hα-helixtrans-54-36.6176-22.428.2000113.8F31 M35 D46 Y47 P262F31-P49 HydrophobicContact CZ-CB 4.33Å; M35-P49 HydrophobicContact SD-CB 4.22Å; M35-P49 HydrophobicContact SD-CG 3.64Å; D46-P49 WeakPolarHBondContact O-CD 3.44Å; Y47-P49 VanDerWaalsContact C-CD 3.41Å; P49-P262 HydrophobicContact CB-CG 4.45Å
50T88.1Confident87.7Confident55 Ų5549.5 Ų49.534%0.33729%0.292SS..Hα-helixtrans-85.1-18.6-176.964.90000112.9Y47 L48 F259 W260Y47-T50 PolarHBondContact O-N 3.15Å; Y47-T50 PolarHBondContact O-OG1 2.87Å; L48-T50 PolarHBondContact O-N 2.8Å; T50-F259 HydrophobicContact CG2-CD2 4.16Å; T50-W260 WeakPolarHBondContact CG2-O 3.45Å
51R90.4Very high88.8Confident75 Ų7546.1 Ų46.128%0.28327%0.272SS..Hα-helixtrans-101.9-25.3-177.8-59.7-59.5-166.3-173.61.9113.8Y47 L48 T53 A54 W55 D220Y47-R51 HydrophobicContact CD2-CB 4.43Å; Y47-R51 HydrophobicContact CD2-CG 3.85Å; Y47-R51 WeakPolarHBondContact O-CG 3.41Å; Y47-R51 PolarHBondContact O-N 2.91Å; L48-R51 PolarHBondContact O-N 3.42Å; L48-R51 VanDerWaalsContact O-N 3.12Å; R51-T53 PolarHBondContact O-N 3.29Å; R51-A54 WeakPolarHBondContact O-CB 3.36Å; R51-A54 PolarHBondContact O-N 3.14Å; R51-A54 VanDerWaalsContact O-N 3.1Å; R51-W55 HydrophobicContact CB-CD2 4.42Å; R51-W55 HydrophobicContact CB-CZ2 4.37Å; R51-W55 PolarHBondContact O-N 3.3Å; R51-D220 IonicContact CZ-OD2 3.25Å; R51-D220 IonicContact NH2-OD2 2.94Å; R51-D220 PolarHBondContact NH2-OD2 3.5Å
52Y93.3Very high89.6Confident2 Ų246.3 Ų46.31%0.00828%0.275CS..Hα-helixtrans-55-48.7-166.7-175.6-108.4000114.1A26 T27 F31 I34 L48 A54 W55 L56 V63 L75A26-Y52 HydrophobicContact CB-CE2 4.39Å; A26-Y52 VanDerWaalsContact CB-OH 3.28Å; A26-Y52 WeakPolarHBondContact CB-OH 3.38Å; T27-Y52 PolarHBondContact O-OH 2.89Å; F31-Y52 HydrophobicContact CB-CE1 4.28Å; F31-Y52 AromaticContact CD2-CD1 3.61Å; F31-Y52 HydrophobicContact CD2-CD1 3.61Å; F31-Y52 HydrophobicContact CD2-CE1 4.19Å; F31-Y52 HydrophobicContact CD2-CG 4.2Å; F31-Y52 HydrophobicContact CE2-CD1 4.38Å; I34-Y52 HydrophobicContact CD1-CD2 4.49Å; I34-Y52 HydrophobicContact CD1-CE1 4.43Å; I34-Y52 HydrophobicContact CD1-CE2 3.56Å; I34-Y52 VanDerWaalsContact CD1-OH 3.26Å; I34-Y52 WeakPolarHBondContact CD1-OH 3.41Å; L48-Y52 HydrophobicContact CD1-CD2 4.35Å; L48-Y52 WeakPolarHBondContact O-CB 3.3Å; L48-Y52 PolarHBondContact O-N 3.38Å; Y52-A54 VanDerWaalsContact C-N 3.34Å; Y52-A54 PolarHBondContact O-N 2.7Å; Y52-W55 WeakPolarHBondContact O-CB 3.4Å; Y52-W55 PolarHBondContact O-N 3.26Å; Y52-L56 HydrophobicContact CD1-CD1 4.25Å; Y52-L56 HydrophobicContact CE1-CD1 3.69Å; Y52-L56 HydrophobicContact CE1-CG 4.29Å; Y52-L56 HydrophobicContact CE2-CD2 4.28Å; Y52-L56 PolarHBondContact O-N 2.88Å; Y52-V63 HydrophobicContact CE2-CG1 4.32Å; Y52-L75 HydrophobicContact CE2-CD1 4.46Å
53T92.6Very high90.4Very high91 Ų9141.7 Ų41.756%0.55826%0.257SS*.Hα-helixtrans-61.7-42.2179.8-54.70000112R51 W55 L56R51-T53 PolarHBondContact O-N 3.29Å; T53-W55 VanDerWaalsContact C-N 3.33Å; T53-W55 PolarHBondContact O-N 3.2Å; T53-L56 PolarHBondContact O-N 2.99Å
54A91.9Very high91.4Very high50 Ų5039.6 Ų39.641%0.41324%0.235SC..Hα-helixtrans-63.1-42.3177.300000111R51 Y52 L56 S57 E58R51-A54 WeakPolarHBondContact O-CB 3.36Å; R51-A54 PolarHBondContact O-N 3.14Å; R51-A54 VanDerWaalsContact O-N 3.1Å; Y52-A54 VanDerWaalsContact C-N 3.34Å; Y52-A54 PolarHBondContact O-N 2.7Å; A54-L56 VanDerWaalsContact C-N 3.28Å; A54-L56 PolarHBondContact O-N 3.43Å; A54-S57 PolarHBondContact O-N 3.47Å; A54-S57 PolarHBondContact O-OG 2.7Å; A54-E58 PolarHBondContact O-N 2.99Å
55W94.9Very high92.3Very high10 Ų1038.6 Ų38.64%0.03823%0.225CC..Hα-helixtrans-57-38.1177.6-76.65.9000113.4Y47 L48 R51 Y52 T53 S57 E58 R61 V63 E90Y47-W55 AromaticContact CE2-CH2 3.8Å; Y47-W55 HydrophobicContact CE2-CH2 3.8Å; Y47-W55 AromaticContact CE2-CZ2 3.81Å; Y47-W55 HydrophobicContact CE2-CZ2 3.81Å; L48-W55 HydrophobicContact CD1-CE3 3.69Å; L48-W55 HydrophobicContact CD1-CH2 3.8Å; L48-W55 HydrophobicContact CD1-CZ3 3.27Å; R51-W55 HydrophobicContact CB-CD2 4.42Å; R51-W55 HydrophobicContact CB-CZ2 4.37Å; R51-W55 PolarHBondContact O-N 3.3Å; Y52-W55 WeakPolarHBondContact O-CB 3.4Å; Y52-W55 PolarHBondContact O-N 3.26Å; T53-W55 VanDerWaalsContact C-N 3.33Å; T53-W55 PolarHBondContact O-N 3.2Å; W55-S57 PolarHBondContact O-N 2.82Å; W55-E58 PolarHBondContact O-N 3.28Å; W55-R61 VanDerWaalsContact CG-CD 3.46Å; W55-R61 WeakPolarHBondContact O-CD 3.45Å; W55-V63 HydrophobicContact CB-CG2 4.26Å; W55-V63 HydrophobicContact CE3-CG2 4.11Å; W55-E90 HydrophobicContact CH2-CG 3.8Å; W55-E90 HydrophobicContact CZ2-CG 3.9Å; W55-E90 WeakPolarHBondContact CZ2-OE2 3.38Å
56L94.9Very high93.1Very high58 Ų5837.4 Ų37.430%0.30422%0.219SC..Hα-helixtrans-67.2-19.5178.5-62.7-177.1000113.3A26 E28 Y52 T53 A54 V63A26-L56 HydrophobicContact CB-CD2 4.43Å; E28-L56 HydrophobicContact CB-CD1 4.49Å; E28-L56 HydrophobicContact CG-CD1 3.72Å; Y52-L56 HydrophobicContact CD1-CD1 4.25Å; Y52-L56 HydrophobicContact CE1-CD1 3.69Å; Y52-L56 HydrophobicContact CE1-CG 4.29Å; Y52-L56 HydrophobicContact CE2-CD2 4.28Å; Y52-L56 PolarHBondContact O-N 2.88Å; T53-L56 PolarHBondContact O-N 2.99Å; A54-L56 VanDerWaalsContact C-N 3.28Å; A54-L56 PolarHBondContact O-N 3.43Å; L56-V63 HydrophobicContact CD2-CG2 4.34Å
57S92.1Very high93.6Very high98 Ų9838 Ų3869%0.68522%0.22SC*.Hα-helixtrans-93.4-10.5178.974.40000114.2A54 W55 S59A54-S57 PolarHBondContact O-N 3.47Å; A54-S57 PolarHBondContact O-OG 2.7Å; W55-S57 PolarHBondContact O-N 2.82Å; S57-S59 PolarHBondContact O-N 3.2Å
58E92.9Very high93.9Very high58 Ų5839 Ų3927%0.27123%0.225SC..  trans-78.9111.9-176.2-76.4175-147.700111.7A54 W55 N60 R61A54-E58 PolarHBondContact O-N 2.99Å; W55-E58 PolarHBondContact O-N 3.28Å; E58-N60 PolarHBondContact O-N 2.87Å; E58-N60 VanDerWaalsContact O-N 3.15Å; E58-R61 HydrophobicContact CB-CB 3.61Å; E58-R61 PolarHBondContact O-N 3.05Å; E58-R61 IonicContact OE1-NE 3.89Å; E58-R61 IonicContact OE2-CZ 2.75Å; E58-R61 IonicContact OE2-NE 3.35Å; E58-R61 PolarHBondContact OE2-NE 3.47Å; E58-R61 IonicContact OE2-NH2 3.65Å; E58-R61 PolarHBondContact OE2-NH2 3.33Å; E58-R61 VanDerWaalsContact OE2-NH2 3.14Å
59S89.9Confident93.9Very high108 Ų10847.5 Ų47.576%0.75527%0.265SS*.THydrogen-bonded Turntrans-60.9-26.5-175.261.90000115.6S57S57-S59 PolarHBondContact O-N 3.2Å
60N92.9Very high94Very high35 Ų3547.9 Ų47.919%0.18728%0.275CS..THydrogen-bonded Turntrans-93.90.8177.764.3-43.8000112.7E58 C79 V80 I233E58-N60 PolarHBondContact O-N 2.87Å; E58-N60 VanDerWaalsContact O-N 3.15Å; N60-C79 PolarHBondContact ND2-SG 2.85Å; N60-C79 CarbonylContact O-C 3.55Å; N60-C79 WeakPolarHBondContact O-CA 3.49Å; N60-V80 PolarHBondContact ND2-O 2.88Å; N60-V80 VanDerWaalsContact ND2-O 3.08Å; N60-V80 PolarHBondContact O-N 2.86Å; N60-I233 WeakPolarHBondContact ND2-CD1 3.36Å
61R96.3Very high94.3Very high14 Ų1452.1 Ų52.15%0.05329%0.289CS..EExtended strand (participates in β ladder)trans-107.1150.4177.8-173.9179.7-67.3-78-3.2111.2W55 E58 S77 V78 E90W55-R61 VanDerWaalsContact CG-CD 3.46Å; W55-R61 WeakPolarHBondContact O-CD 3.45Å; E58-R61 HydrophobicContact CB-CB 3.61Å; E58-R61 PolarHBondContact O-N 3.05Å; E58-R61 IonicContact OE1-NE 3.89Å; E58-R61 IonicContact OE2-CZ 2.75Å; E58-R61 IonicContact OE2-NE 3.35Å; E58-R61 PolarHBondContact OE2-NE 3.47Å; E58-R61 IonicContact OE2-NH2 3.65Å; E58-R61 PolarHBondContact OE2-NH2 3.33Å; E58-R61 VanDerWaalsContact OE2-NH2 3.14Å; R61-S77 WeakPolarHBondContact CD-OG 3.45Å; R61-S77 WeakPolarHBondContact CG-OG 3.28Å; R61-S77 PolarHBondContact NH1-OG 2.73Å; R61-V78 CarbonylContact C-O 3.32Å; R61-V78 VanDerWaalsContact CA-O 3.28Å; R61-V78 WeakPolarHBondContact CA-O 3.49Å; R61-E90 IonicContact CZ-OE1 3.87Å; R61-E90 IonicContact NH1-OE1 3.73Å; R61-E90 PolarHBondContact NH1-OE1 3.35Å; R61-E90 IonicContact NH2-OE1 3.18Å; R61-E90 PolarHBondContact NH2-OE1 3.33Å
62T97Very high94.7Very high27 Ų2749 Ų4917%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-141.5130.5164.6-560000108.6V25 I64 V78 L114V25-T62 HydrophobicContact CG1-CG2 4.11Å; V25-T62 HydrophobicContact CG2-CG2 4.26Å; T62-I64 HydrophobicContact CG2-CD1 3.57Å; T62-I64 HydrophobicContact CG2-CG1 4.29Å; T62-V78 PolarHBondContact N-O 3.48Å; T62-V78 WeakPolarHBondContact O-CG2 3.39Å; T62-V78 PolarHBondContact O-N 3.09Å; T62-L114 HydrophobicContact CG2-CD2 4.41Å
63V98Very high94.8Very high4 Ų449.2 Ų49.22%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-99.6124.7174.8-174.60000108.1V25 A26 Y52 W55 L56 L75V25-V63 WeakPolarHBondContact CA-O 3.42Å; A26-V63 HydrophobicContact CB-CB 3.79Å; A26-V63 HydrophobicContact CB-CG1 3.66Å; A26-V63 PolarHBondContact N-O 2.85Å; Y52-V63 HydrophobicContact CE2-CG1 4.32Å; W55-V63 HydrophobicContact CB-CG2 4.26Å; W55-V63 HydrophobicContact CE3-CG2 4.11Å; L56-V63 HydrophobicContact CD2-CG2 4.34Å; V63-L75 HydrophobicContact CG1-CD1 3.64Å; V63-L75 HydrophobicContact CG1-CD2 4.12Å; V63-L75 HydrophobicContact CG1-CG 3.76Å
64I98.2Very high95Very high0 Ų044.9 Ų44.90%025%0.253CS..EExtended strand (participates in β ladder)trans-113.9133.1-176.9-56.1-60.8000109.8L12 F23 V25 T62 L75 E76 L107 F110 L114L12-I64 HydrophobicContact CD2-CD1 4.43Å; F23-I64 HydrophobicContact CB-CG2 4.34Å; F23-I64 HydrophobicContact CD1-CG2 4.24Å; V25-I64 HydrophobicContact CG2-CD1 4.11Å; T62-I64 HydrophobicContact CG2-CD1 3.57Å; T62-I64 HydrophobicContact CG2-CG1 4.29Å; I64-L75 WeakPolarHBondContact O-CA 3.28Å; I64-E76 PolarHBondContact N-O 3.13Å; I64-E76 PolarHBondContact O-N 2.93Å; I64-L107 HydrophobicContact CB-CD1 4.25Å; I64-L107 HydrophobicContact CG2-CD1 3.7Å; I64-F110 HydrophobicContact CG2-CD1 3.9Å; I64-F110 HydrophobicContact CG2-CE1 3.84Å; I64-L114 HydrophobicContact CD1-CD2 3.47Å; I64-L114 VanDerWaalsContact CD1-CD2 3.47Å; I64-L114 HydrophobicContact CG1-CD2 4.03Å
65L98.2Very high95.3Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-105136.6174.9-52180000109.6F23 T24 A26 D30 I34 V72 A74 L75F23-L65 VanDerWaalsContact CA-O 3.28Å; F23-L65 WeakPolarHBondContact CA-O 3.36Å; T24-L65 PolarHBondContact N-O 3.15Å; T24-L65 PolarHBondContact O-N 2.62Å; A26-L65 HydrophobicContact CB-CD1 3.84Å; A26-L65 HydrophobicContact CB-CD2 3.89Å; A26-L65 HydrophobicContact CB-CG 3.7Å; D30-L65 HydrophobicContact CB-CD1 3.61Å; I34-L65 HydrophobicContact CD1-CD1 4.39Å; I34-L65 HydrophobicContact CD1-CD2 3.82Å; I34-L65 HydrophobicContact CG1-CD2 3.87Å; L65-V72 HydrophobicContact CB-CG1 4.49Å; L65-V72 HydrophobicContact CD1-CG2 3.95Å; L65-V72 HydrophobicContact CD2-CG1 4.31Å; L65-A74 CarbonylContact C-O 3.55Å; L65-A74 WeakPolarHBondContact CA-O 3.49Å; L65-L75 HydrophobicContact CD2-CB 3.92Å; L65-L75 HydrophobicContact CD2-CD1 3.71Å; L65-L75 HydrophobicContact CD2-CG 3.92Å
66A97.5Very high95.4Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-94.9126.5161.500000108.8Q22 F23 I73 A74 L107Q22-A66 CarbonylContact O-C 2.98Å; Q22-A66 WeakPolarHBondContact O-CA 3.49Å; F23-A66 HydrophobicContact CD1-CB 3.97Å; F23-A66 HydrophobicContact CE1-CB 3.64Å; A66-I73 HydrophobicContact CB-CG1 4.29Å; A66-I73 VanDerWaalsContact O-CG1 3.29Å; A66-I73 WeakPolarHBondContact O-CG1 3.28Å; A66-I73 PolarHBondContact O-N 3.26Å; A66-A74 HydrophobicContact CB-CB 3.91Å; A66-A74 PolarHBondContact N-O 2.9Å; A66-A74 PolarHBondContact O-N 2.71Å; A66-L107 HydrophobicContact CB-CD1 4.43Å
67R96.9Very high95.5Very high28 Ų2839.6 Ų39.611%0.10622%0.218CC..EExtended strand (participates in β ladder)trans-112.5145177.4-67.6-176.5167.7-82.2-0.8111L21 Q22 D30 E33 G70 K71 V72L21-R67 CarbonylContact C-O 3.55Å; L21-R67 WeakPolarHBondContact CA-O 3.39Å; Q22-R67 HydrophobicContact CB-CB 4.31Å; Q22-R67 PolarHBondContact N-O 3.4Å; Q22-R67 PolarHBondContact O-N 3.19Å; D30-R67 IonicContact OD1-CZ 3.69Å; D30-R67 IonicContact OD1-NH2 3.35Å; D30-R67 PolarHBondContact OD1-NH2 2.75Å; E33-R67 IonicContact OE1-CZ 2.7Å; E33-R67 IonicContact OE1-NH1 2.96Å; E33-R67 PolarHBondContact OE1-NH1 2.6Å; E33-R67 IonicContact OE1-NH2 3.14Å; E33-R67 PolarHBondContact OE1-NH2 2.93Å; E33-R67 IonicContact OE2-NH1 2.6Å; E33-R67 PolarHBondContact OE2-NH1 2.96Å; R67-G70 PolarHBondContact NH1-O 3.23Å; R67-K71 CarbonylContact C-O 3.59Å; R67-K71 WeakPolarHBondContact CA-O 3.44Å; R67-V72 HydrophobicContact CG-CG2 4.37Å; R67-V72 VanDerWaalsContact NH2-CG2 3.27Å
68K94.7Very high95.8Very high69 Ų6935.1 Ų35.130%0.319%0.187SC..EExtended strand (participates in β ladder)trans-135.8123.4173.4-174.6177.5175.7-172.40108.4L21 G70 K71 I73 E98L21-K68 HydrophobicContact CD2-CB 4.13Å; L21-K68 HydrophobicContact CD2-CD 4.39Å; L21-K68 HydrophobicContact CD2-CG 4.47Å; K68-G70 PolarHBondContact O-N 3.24Å; K68-K71 PolarHBondContact N-O 3.13Å; K68-K71 PolarHBondContact O-N 3.46Å; K68-K71 VanDerWaalsContact O-N 3.14Å; K68-I73 HydrophobicContact CB-CD1 3.88Å; K68-I73 HydrophobicContact CB-CG1 4.2Å; K68-I73 HydrophobicContact CB-CG2 4Å; K68-I73 HydrophobicContact CD-CD1 4.24Å; K68-E98 IonicContact NZ-OE1 3.28Å; K68-E98 PolarHBondContact NZ-OE1 3.29Å; K68-E98 IonicContact NZ-OE2 3.99Å; K68-E98 PolarHBondContact NZ-OE2 2.76Å
69Q92.2Very high96Very high180 Ų18032.5 Ų32.584%0.84118%0.175SC*.THydrogen-bonded Turntrans52.242-173.2-59.1173.1-15.700112.2K71Q69-K71 VanDerWaalsContact C-N 3.26Å; Q69-K71 PolarHBondContact O-N 3.25Å
70G91.4Very high96.3Very high43 Ų4328 Ų2844%0.44314%0.142SC..THydrogen-bonded Turntrans79.1-9.4179.200000115.9R67 K68R67-G70 PolarHBondContact NH1-O 3.23Å; K68-G70 PolarHBondContact O-N 3.24Å
71K94.8Very high96.6Very high145 Ų14526.4 Ų26.463%0.6313%0.134SC*.EExtended strand (participates in β ladder)trans-97.2142.5-179.1-61.5-174.8178-174.60112.3R67 K68 Q69 I73R67-K71 CarbonylContact C-O 3.59Å; R67-K71 WeakPolarHBondContact CA-O 3.44Å; K68-K71 PolarHBondContact N-O 3.13Å; K68-K71 PolarHBondContact O-N 3.46Å; K68-K71 VanDerWaalsContact O-N 3.14Å; Q69-K71 VanDerWaalsContact C-N 3.26Å; Q69-K71 PolarHBondContact O-N 3.25Å; K71-I73 PolarHBondContact O-N 2.94Å
72V97.3Very high96.6Very high8 Ų825.9 Ų25.95%0.04813%0.132CC..EExtended strand (participates in β ladder)trans-64.1129.3169.9-177.50000109.5E33 I34 I37 L65 R67E33-V72 HydrophobicContact CB-CB 3.97Å; E33-V72 HydrophobicContact CB-CG2 3.73Å; E33-V72 HydrophobicContact CG-CG2 4.38Å; E33-V72 PolarHBondContact OE2-N 2.95Å; I34-V72 HydrophobicContact CG1-CG1 4.49Å; I37-V72 HydrophobicContact CD1-CG1 3.88Å; L65-V72 HydrophobicContact CB-CG1 4.49Å; L65-V72 HydrophobicContact CD1-CG2 3.95Å; L65-V72 HydrophobicContact CD2-CG1 4.31Å; R67-V72 HydrophobicContact CG-CG2 4.37Å; R67-V72 VanDerWaalsContact NH2-CG2 3.27Å
73I96.7Very high96.6Very high8 Ų829.3 Ų29.34%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-125.7-14.4175.764.9153.3000113.5L21 A66 K68 K71 A95 E98 V103L21-I73 HydrophobicContact CD2-CD1 3.57Å; A66-I73 HydrophobicContact CB-CG1 4.29Å; A66-I73 VanDerWaalsContact O-CG1 3.29Å; A66-I73 WeakPolarHBondContact O-CG1 3.28Å; A66-I73 PolarHBondContact O-N 3.26Å; K68-I73 HydrophobicContact CB-CD1 3.88Å; K68-I73 HydrophobicContact CB-CG1 4.2Å; K68-I73 HydrophobicContact CB-CG2 4Å; K68-I73 HydrophobicContact CD-CD1 4.24Å; K71-I73 PolarHBondContact O-N 2.94Å; I73-A95 HydrophobicContact CB-CB 4.35Å; I73-A95 WeakPolarHBondContact O-CB 3.27Å; I73-A95 PolarHBondContact O-N 3.28Å; I73-E98 HydrophobicContact CB-CG 4.15Å; I73-E98 HydrophobicContact CD1-CB 4.43Å; I73-E98 HydrophobicContact CD1-CG 4Å; I73-E98 HydrophobicContact CG2-CG 4.27Å; I73-V103 HydrophobicContact CD1-CG1 4.1Å; I73-V103 HydrophobicContact CD1-CG2 4.28Å
74A97.1Very high96.5Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-155.6157.1174.200000111.3L65 A66 R93 V94 V103 L107L65-A74 CarbonylContact C-O 3.55Å; L65-A74 WeakPolarHBondContact CA-O 3.49Å; A66-A74 HydrophobicContact CB-CB 3.91Å; A66-A74 PolarHBondContact N-O 2.9Å; A66-A74 PolarHBondContact O-N 2.71Å; A74-R93 CarbonylContact C-O 3.54Å; A74-R93 WeakPolarHBondContact CA-O 3.28Å; A74-R93 WeakPolarHBondContact CB-O 3.38Å; A74-V94 HydrophobicContact CB-CG2 4.17Å; A74-V103 HydrophobicContact CB-CG1 3.73Å; A74-L107 HydrophobicContact CB-CD2 3.79Å
75L97.5Very high96.4Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-134.9143.6174.3176.6153.7000109.1I34 L48 Y52 V63 I64 L65 G91 L92 R93I34-L75 HydrophobicContact CB-CD1 4.34Å; I34-L75 HydrophobicContact CD1-CD1 3.7Å; I34-L75 HydrophobicContact CG1-CD1 3.86Å; I34-L75 HydrophobicContact CG2-CD1 3.48Å; I34-L75 VanDerWaalsContact CG2-CD1 3.48Å; L48-L75 HydrophobicContact CD2-CD1 4.31Å; L48-L75 HydrophobicContact CD2-CD2 4.45Å; Y52-L75 HydrophobicContact CE2-CD1 4.46Å; V63-L75 HydrophobicContact CG1-CD1 3.64Å; V63-L75 HydrophobicContact CG1-CD2 4.12Å; V63-L75 HydrophobicContact CG1-CG 3.76Å; I64-L75 WeakPolarHBondContact O-CA 3.28Å; L65-L75 HydrophobicContact CD2-CB 3.92Å; L65-L75 HydrophobicContact CD2-CD1 3.71Å; L65-L75 HydrophobicContact CD2-CG 3.92Å; L75-G91 WeakPolarHBondContact CD2-O 3.47Å; L75-L92 WeakPolarHBondContact O-CA 3.29Å; L75-R93 HydrophobicContact CB-CB 4.14Å; L75-R93 HydrophobicContact CB-CG 4.4Å; L75-R93 PolarHBondContact N-O 2.83Å; L75-R93 PolarHBondContact O-N 2.8Å
76E97.3Very high96.4Very high7 Ų733.2 Ų33.23%0.03317%0.171CC..EExtended strand (participates in β ladder)trans-140.7134.6164.9-171.376.3-125.300108.2I64 V78 V89 E90 L92 L107I64-E76 PolarHBondContact N-O 3.13Å; I64-E76 PolarHBondContact O-N 2.93Å; E76-V78 HydrophobicContact CG-CG1 4.34Å; E76-V89 HydrophobicContact CG-CB 4.46Å; E76-E90 PolarHBondContact OE1-N 2.89Å; E76-L92 WeakPolarHBondContact OE2-CB 3.44Å; E76-L92 WeakPolarHBondContact OE2-CD1 3.15Å; E76-L107 HydrophobicContact CB-CD1 4.45Å; E76-L107 HydrophobicContact CB-CD2 3.7Å; E76-L107 HydrophobicContact CB-CG 3.86Å
77S97.7Very high96.5Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-98.4135.2167.1-166.40000109.8R61 V89 E90R61-S77 WeakPolarHBondContact CD-OG 3.45Å; R61-S77 WeakPolarHBondContact CG-OG 3.28Å; R61-S77 PolarHBondContact NH1-OG 2.73Å; S77-V89 WeakPolarHBondContact O-CA 3.26Å; S77-E90 WeakPolarHBondContact CA-O 3.46Å; S77-E90 VanDerWaalsContact CB-O 3.24Å; S77-E90 WeakPolarHBondContact CB-O 3.42Å; S77-E90 PolarHBondContact N-O 3.33Å; S77-E90 PolarHBondContact O-N 3.35Å
78V97.1Very high96.5Very high3 Ų331.9 Ų31.92%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-120.8135.8172.2-63.30000110.4R61 T62 E76 M87 L88 V89 C111 V115R61-V78 CarbonylContact C-O 3.32Å; R61-V78 VanDerWaalsContact CA-O 3.28Å; R61-V78 WeakPolarHBondContact CA-O 3.49Å; T62-V78 PolarHBondContact N-O 3.48Å; T62-V78 WeakPolarHBondContact O-CG2 3.39Å; T62-V78 PolarHBondContact O-N 3.09Å; E76-V78 HydrophobicContact CG-CG1 4.34Å; V78-M87 HydrophobicContact CB-CG 4.02Å; V78-M87 HydrophobicContact CB-SD 4.18Å; V78-M87 HydrophobicContact CG1-CG 4.21Å; V78-M87 HydrophobicContact CG1-SD 3.96Å; V78-L88 CarbonylContact C-O 3.48Å; V78-L88 WeakPolarHBondContact CA-O 3.44Å; V78-V89 HydrophobicContact CG1-CG1 3.63Å; V78-C111 HydrophobicContact CG1-CB 3.63Å; V78-V115 HydrophobicContact CB-CG2 4.21Å; V78-V115 HydrophobicContact CG2-CG2 3.68Å
79C96.9Very high96.6Very high3 Ų329 Ų292%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-130.7127.7-178.8-172.60000109.5N60 L88N60-C79 PolarHBondContact ND2-SG 2.85Å; N60-C79 CarbonylContact O-C 3.55Å; N60-C79 WeakPolarHBondContact O-CA 3.49Å; C79-L88 HydrophobicContact CB-CB 4.33Å; C79-L88 PolarHBondContact N-O 3.09Å; C79-L88 PolarHBondContact O-N 3.09Å
80V97.8Very high96.7Very high13 Ų1321.6 Ų21.68%0.07912%0.12CC..EExtended strand (participates in β ladder)trans-88.2122.4176.9178.60000109N60 T86 V115 W119 V122N60-V80 PolarHBondContact ND2-O 2.88Å; N60-V80 VanDerWaalsContact ND2-O 3.08Å; N60-V80 PolarHBondContact O-N 2.86Å; V80-T86 WeakPolarHBondContact CA-O 3.29Å; V80-V115 HydrophobicContact CG2-CG1 3.88Å; V80-W119 HydrophobicContact CG1-CD2 4.15Å; V80-W119 HydrophobicContact CG1-CE3 4.35Å; V80-W119 HydrophobicContact CG1-CG 4.31Å; V80-W119 HydrophobicContact CG2-CD2 4.33Å; V80-W119 HydrophobicContact CG2-CG 3.99Å; V80-V122 HydrophobicContact CG1-CG2 4.24Å; V80-V122 HydrophobicContact CG2-CG2 4.46Å
81I97.5Very high96.8Very high2 Ų219.7 Ų19.71%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-135.4-178.5-173.765.1165000110.2G84 E85 T86 L88 P223 F224 N230 I233I81-G84 PolarHBondContact O-N 3.28Å; I81-E85 PolarHBondContact O-N 2.79Å; I81-T86 HydrophobicContact CD1-CG2 4.13Å; I81-T86 HydrophobicContact CG1-CG2 3.87Å; I81-T86 PolarHBondContact N-O 3.3Å; I81-T86 PolarHBondContact O-N 2.82Å; I81-T86 VanDerWaalsContact O-N 3.12Å; I81-L88 HydrophobicContact CD1-CB 3.86Å; I81-L88 HydrophobicContact CD1-CD2 4.32Å; I81-L88 HydrophobicContact CG1-CB 4.16Å; I81-P223 VanDerWaalsContact CD1-O 3.3Å; I81-P223 WeakPolarHBondContact CD1-O 3.4Å; I81-F224 HydrophobicContact CB-CD1 4.44Å; I81-F224 HydrophobicContact CD1-CD1 4.04Å; I81-F224 HydrophobicContact CD1-CE1 4.42Å; I81-F224 HydrophobicContact CG2-CD1 4.28Å; I81-F224 HydrophobicContact CG2-CE1 3.99Å; I81-N230 WeakPolarHBondContact CB-OD1 3.34Å; I81-I233 HydrophobicContact CG2-CD1 4.11Å
82D96.9Very high96.8Very high4 Ų416.3 Ų16.32%0.0219%0.089CC..THydrogen-bonded Turntrans5656.1178.1-62-6.2000112.4G84 E85 T86 R126 K225 N230D82-G84 PolarHBondContact O-N 2.74Å; D82-G84 VanDerWaalsContact O-N 3.09Å; D82-E85 WeakPolarHBondContact O-CB 3.42Å; D82-E85 PolarHBondContact O-N 2.89Å; D82-T86 PolarHBondContact OD2-OG1 2.8Å; D82-T86 VanDerWaalsContact OD2-OG1 3.08Å; D82-R126 IonicContact OD1-NH1 3.13Å; D82-R126 IonicContact OD2-CZ 3.82Å; D82-R126 IonicContact OD2-NH1 2.71Å; D82-R126 PolarHBondContact OD2-NH1 3.02Å; D82-R126 IonicContact OD2-NH2 3.86Å; D82-R126 PolarHBondContact OD2-NH2 3.08Å; D82-K225 HydrophobicContact CB-CD 4.09Å; D82-K225 PolarHBondContact OD1-N 3.23Å; D82-K225 VanDerWaalsContact OD2-CD 3.32Å; D82-K225 WeakPolarHBondContact OD2-CD 3.34Å; D82-K225 VanDerWaalsContact OD2-CE 3.26Å; D82-K225 WeakPolarHBondContact OD2-CE 3.32Å; D82-K225 WeakPolarHBondContact OD2-CG 3.12Å; D82-K225 IonicContact OD2-NZ 3.74Å; D82-N230 PolarHBondContact N-OD1 2.65Å; D82-N230 PolarHBondContact OD1-ND2 3.13Å
83D96.1Very high96.6Very high98 Ų9816 Ų1652%0.5249%0.087SC..THydrogen-bonded Turntrans53.928.9-177.1-60.7-44.5000114.2V227 S229D83-V227 WeakPolarHBondContact OD2-CB 3.26Å; D83-S229 PolarHBondContact N-OG 3.36Å; D83-S229 WeakPolarHBondContact OD1-CB 3.32Å; D83-S229 PolarHBondContact OD1-OG 3.29Å; D83-S229 VanDerWaalsContact OD1-OG 3.09Å
84G96.3Very high96.5Very high14 Ų1416.5 Ų16.514%0.1449%0.09CC..THydrogen-bonded Turntrans91.82.6179.200000114.5I81 D82 V122I81-G84 PolarHBondContact O-N 3.28Å; D82-G84 PolarHBondContact O-N 2.74Å; D82-G84 VanDerWaalsContact O-N 3.09Å; G84-V122 WeakPolarHBondContact O-CA 3.33Å; G84-V122 VanDerWaalsContact O-CG2 3.24Å; G84-V122 WeakPolarHBondContact O-CG2 3.5Å; G84-V122 PolarHBondContact O-N 2.72Å
85E97.6Very high96.4Very high71 Ų7116.5 Ų16.533%0.3329%0.09SC..THydrogen-bonded Turntrans-92.1-11-175.2-58.1-158.9155.300114.4I81 D82 V122 K123 V124I81-E85 PolarHBondContact O-N 2.79Å; D82-E85 WeakPolarHBondContact O-CB 3.42Å; D82-E85 PolarHBondContact O-N 2.89Å; E85-V122 CarbonylContact C-O 3.5Å; E85-V122 VanDerWaalsContact C-O 3.32Å; E85-V122 WeakPolarHBondContact CA-O 3.14Å; E85-V122 CarbonylContact O-C 3.57Å; E85-K123 PolarHBondContact O-N 3.17Å; E85-K123 IonicContact OE1-NZ 2.65Å; E85-K123 PolarHBondContact OE1-NZ 2.92Å; E85-K123 IonicContact OE2-NZ 2.9Å; E85-K123 PolarHBondContact OE2-NZ 2.77Å; E85-V124 PolarHBondContact O-N 2.83Å
86T98.3Very high96.1Very high1 Ų119.8 Ų19.81%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-131.9132-175.1-640000111.8V80 I81 D82 V124 R126V80-T86 WeakPolarHBondContact CA-O 3.29Å; I81-T86 HydrophobicContact CD1-CG2 4.13Å; I81-T86 HydrophobicContact CG1-CG2 3.87Å; I81-T86 PolarHBondContact N-O 3.3Å; I81-T86 PolarHBondContact O-N 2.82Å; I81-T86 VanDerWaalsContact O-N 3.12Å; D82-T86 PolarHBondContact OD2-OG1 2.8Å; D82-T86 VanDerWaalsContact OD2-OG1 3.08Å; T86-V124 WeakPolarHBondContact CA-O 3.37Å; T86-V124 HydrophobicContact CG2-CG2 4.04Å; T86-V124 VanDerWaalsContact OG1-CG2 3.29Å; T86-V124 WeakPolarHBondContact OG1-CG2 3.45Å; T86-R126 HydrophobicContact CG2-CB 3.67Å; T86-R126 PolarHBondContact OG1-NH2 3Å
87M97.9Very high95.8Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-93.6105.1165.9-177.4-179.678.800109V78 V89 L108 V115 V122 V124 T125 R126V78-M87 HydrophobicContact CB-CG 4.02Å; V78-M87 HydrophobicContact CB-SD 4.18Å; V78-M87 HydrophobicContact CG1-CG 4.21Å; V78-M87 HydrophobicContact CG1-SD 3.96Å; M87-V89 HydrophobicContact CE-CG1 3.66Å; M87-V89 HydrophobicContact CG-CG1 4.28Å; M87-V89 HydrophobicContact SD-CG1 4.46Å; M87-L108 HydrophobicContact CE-CD1 4.32Å; M87-V115 HydrophobicContact CB-CG1 4.15Å; M87-V115 HydrophobicContact CG-CB 4.4Å; M87-V115 HydrophobicContact CG-CG1 4.12Å; M87-V115 HydrophobicContact CG-CG2 4.12Å; M87-V115 HydrophobicContact SD-CB 3.59Å; M87-V115 VanDerWaalsContact SD-CB 3.59Å; M87-V115 HydrophobicContact SD-CG1 3.87Å; M87-V115 HydrophobicContact SD-CG2 3.5Å; M87-V115 WeakPolarHBondContact SD-CG2 3.31Å; M87-V122 HydrophobicContact CB-CG1 3.99Å; M87-V124 PolarHBondContact N-O 2.72Å; M87-T125 HydrophobicContact CE-CG2 3.59Å; M87-T125 WeakPolarHBondContact CE-OG1 3.25Å; M87-T125 CarbonylContact O-C 3.58Å; M87-T125 VanDerWaalsContact O-CA 3.26Å; M87-T125 WeakPolarHBondContact O-CA 3.43Å; M87-R126 PolarHBondContact O-N 3.33Å
88L98Very high95.6Very high1 Ų126.5 Ų26.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-75.5127.7167174.758.7000109V78 C79 I81 R126 Q222 P223V78-L88 CarbonylContact C-O 3.48Å; V78-L88 WeakPolarHBondContact CA-O 3.44Å; C79-L88 HydrophobicContact CB-CB 4.33Å; C79-L88 PolarHBondContact N-O 3.09Å; C79-L88 PolarHBondContact O-N 3.09Å; I81-L88 HydrophobicContact CD1-CB 3.86Å; I81-L88 HydrophobicContact CD1-CD2 4.32Å; I81-L88 HydrophobicContact CG1-CB 4.16Å; L88-R126 WeakPolarHBondContact CA-O 3.3Å; L88-Q222 HydrophobicContact CD2-CB 4.02Å; L88-Q222 HydrophobicContact CD2-CG 4.11Å; L88-P223 HydrophobicContact CD1-CG 4.09Å
89V96.6Very high95.4Very high8 Ų832.2 Ų32.25%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-108136.2170.4-60.40000110.6E76 S77 V78 M87 L108 T125 R126 L127E76-V89 HydrophobicContact CG-CB 4.46Å; S77-V89 WeakPolarHBondContact O-CA 3.26Å; V78-V89 HydrophobicContact CG1-CG1 3.63Å; M87-V89 HydrophobicContact CE-CG1 3.66Å; M87-V89 HydrophobicContact CG-CG1 4.28Å; M87-V89 HydrophobicContact SD-CG1 4.46Å; V89-L108 HydrophobicContact CB-CD1 4.41Å; V89-L108 HydrophobicContact CG1-CD1 3.68Å; V89-L108 HydrophobicContact CG2-CD1 4.32Å; V89-T125 HydrophobicContact CG1-CG2 3.84Å; V89-T125 HydrophobicContact CG2-CG2 4.08Å; V89-R126 PolarHBondContact N-O 2.8Å; V89-L127 HydrophobicContact CG2-CB 3.64Å; V89-L127 HydrophobicContact CG2-CD2 4.27Å; V89-L127 HydrophobicContact CG2-CG 4.38Å
90E94.8Very high95Very high25 Ų2536.4 Ų36.412%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-152.7160.4-179.569-172.9123.500112.7W55 R61 E76 S77 L92 Q222W55-E90 HydrophobicContact CH2-CG 3.8Å; W55-E90 HydrophobicContact CZ2-CG 3.9Å; W55-E90 WeakPolarHBondContact CZ2-OE2 3.38Å; R61-E90 IonicContact CZ-OE1 3.87Å; R61-E90 IonicContact NH1-OE1 3.73Å; R61-E90 PolarHBondContact NH1-OE1 3.35Å; R61-E90 IonicContact NH2-OE1 3.18Å; R61-E90 PolarHBondContact NH2-OE1 3.33Å; E76-E90 PolarHBondContact OE1-N 2.89Å; S77-E90 WeakPolarHBondContact CA-O 3.46Å; S77-E90 VanDerWaalsContact CB-O 3.24Å; S77-E90 WeakPolarHBondContact CB-O 3.42Å; S77-E90 PolarHBondContact N-O 3.33Å; S77-E90 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.77Å; E90-Q222 VanDerWaalsContact CD-NE2 3.26Å; E90-Q222 PolarHBondContact OE1-NE2 2.9Å; E90-Q222 PolarHBondContact OE2-NE2 3.01Å
91G93.2Very high94.8Very high3 Ų341.9 Ų41.93%0.03123%0.23CC..EExtended strand (participates in β ladder)trans72.223175.800000114.4Y47 L75 R93Y47-G91 WeakPolarHBondContact OH-CA 3.43Å; Y47-G91 PolarHBondContact OH-N 2.87Å; L75-G91 WeakPolarHBondContact CD2-O 3.47Å; G91-R93 WeakPolarHBondContact O-CG 3.37Å; G91-R93 PolarHBondContact O-N 2.99Å
92L94.3Very high94.6Very high73 Ų7344 Ų4438%0.38225%0.252SS..EExtended strand (participates in β ladder)trans-50.8124.8174.9176.259.5000111.2L75 E76 E90 V94 A104L75-L92 WeakPolarHBondContact O-CA 3.29Å; E76-L92 WeakPolarHBondContact OE2-CB 3.44Å; E76-L92 WeakPolarHBondContact OE2-CD1 3.15Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.77Å; L92-V94 HydrophobicContact CD1-CG2 4.1Å; L92-A104 HydrophobicContact CD1-CB 3.87Å; L92-A104 HydrophobicContact CD2-CB 3.85Å; L92-A104 HydrophobicContact CG-CB 4.48Å
93R94.1Very high94.5Very high3 Ų344.3 Ų44.31%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-129.7138172.8-58.4-68.4-180-120.714.5109I37 S38 I41 Y42 D46 L48 A74 L75 G91I37-R93 HydrophobicContact CD1-CB 3.92Å; I37-R93 HydrophobicContact CG1-CB 4.42Å; S38-R93 WeakPolarHBondContact OG-CD 3.47Å; S38-R93 PolarHBondContact OG-NE 2.78Å; I41-R93 HydrophobicContact CD1-CG 4.46Å; I41-R93 VanDerWaalsContact CG2-CZ 3.49Å; Y42-R93 PolarHBondContact OH-NH1 3.44Å; Y42-R93 VanDerWaalsContact OH-NH1 3.1Å; D46-R93 IonicContact OD1-CZ 2.78Å; D46-R93 IonicContact OD1-NH2 2.8Å; D46-R93 PolarHBondContact OD1-NH2 3.02Å; D46-R93 IonicContact OD2-CZ 3.86Å; D46-R93 IonicContact OD2-NE 3.02Å; D46-R93 IonicContact OD2-NH2 2.89Å; D46-R93 PolarHBondContact OD2-NH2 3.27Å; L48-R93 HydrophobicContact CD2-CG 4.38Å; A74-R93 CarbonylContact C-O 3.54Å; A74-R93 WeakPolarHBondContact CA-O 3.28Å; A74-R93 WeakPolarHBondContact CB-O 3.38Å; L75-R93 HydrophobicContact CB-CB 4.14Å; L75-R93 HydrophobicContact CB-CG 4.4Å; L75-R93 PolarHBondContact N-O 2.83Å; L75-R93 PolarHBondContact O-N 2.8Å; G91-R93 WeakPolarHBondContact O-CG 3.37Å; G91-R93 PolarHBondContact O-N 2.99Å
94V94.4Very high94.3Very high17 Ų1741.1 Ų41.110%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-135.3128.5167.3-176.90000108.1A74 L92 E98 R99 V103 A104A74-V94 HydrophobicContact CB-CG2 4.17Å; L92-V94 HydrophobicContact CD1-CG2 4.1Å; V94-E98 HydrophobicContact CG1-CB 4.03Å; V94-R99 HydrophobicContact CB-CG 4.12Å; V94-R99 HydrophobicContact CG1-CG 4.06Å; V94-R99 PolarHBondContact O-NE 2.91Å; V94-R99 PolarHBondContact O-NH2 3.19Å; V94-V103 HydrophobicContact CG1-CB 4.18Å; V94-V103 HydrophobicContact CG1-CG1 4.37Å; V94-A104 HydrophobicContact CG2-CB 4.04Å
95A93.8Very high94.1Very high0 Ų042 Ų420%025%0.251CS..  trans-50.7134.8176.800000110.1I37 I73 Q97 E98 R99I37-A95 HydrophobicContact CB-CB 4.16Å; I37-A95 HydrophobicContact CG2-CB 3.75Å; I73-A95 HydrophobicContact CB-CB 4.35Å; I73-A95 WeakPolarHBondContact O-CB 3.27Å; I73-A95 PolarHBondContact O-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.46Å; A95-Q97 VanDerWaalsContact O-N 3.08Å; A95-E98 PolarHBondContact O-N 3.1Å; A95-R99 PolarHBondContact O-N 2.73Å
96P91.3Very high94Very high70 Ų7039.7 Ų39.746%0.45524%0.242SC..G310 helixtrans-48.2-43.5-173.7-30.435.2000114.1E98 R99P96-E98 PolarHBondContact O-N 2.63Å; P96-R99 PolarHBondContact O-N 2.88Å
97Q92Very high93.8Very high127 Ų12739.6 Ų39.659%0.59324%0.241SC*.G310 helixtrans-70.7-12.1-179.869.1-80.614.300114.8A95 K101A95-Q97 PolarHBondContact O-N 3.46Å; A95-Q97 VanDerWaalsContact O-N 3.08Å; Q97-K101 WeakPolarHBondContact O-CE 3.43Å; Q97-K101 PolarHBondContact O-NZ 3.29Å
98E93.8Very high93.7Very high21 Ų2140.9 Ų40.910%0.09825%0.248CC..G310 helixtrans-109.6-1.1178-61.3-64.1176.400113.1K68 I73 V94 A95 P96 K101 V103K68-E98 IonicContact NZ-OE1 3.28Å; K68-E98 PolarHBondContact NZ-OE1 3.29Å; K68-E98 IonicContact NZ-OE2 3.99Å; K68-E98 PolarHBondContact NZ-OE2 2.76Å; I73-E98 HydrophobicContact CB-CG 4.15Å; I73-E98 HydrophobicContact CD1-CB 4.43Å; I73-E98 HydrophobicContact CD1-CG 4Å; I73-E98 HydrophobicContact CG2-CG 4.27Å; V94-E98 HydrophobicContact CG1-CB 4.03Å; A95-E98 PolarHBondContact O-N 3.1Å; P96-E98 PolarHBondContact O-N 2.63Å; E98-K101 IonicContact OE1-NZ 3.4Å; E98-K101 VanDerWaalsContact OE2-CD 3.25Å; E98-K101 WeakPolarHBondContact OE2-CD 3.49Å; E98-K101 IonicContact OE2-NZ 2.92Å; E98-K101 PolarHBondContact OE2-NZ 2.82Å; E98-V103 HydrophobicContact CB-CG2 4.2Å
99R91.7Very high93.5Very high123 Ų12348 Ų4846%0.46428%0.275SS..THydrogen-bonded Turntrans-65149.4174.6-64.4178.1-170168.13.6111V94 A95 P96 K101V94-R99 HydrophobicContact CB-CG 4.12Å; V94-R99 HydrophobicContact CG1-CG 4.06Å; V94-R99 PolarHBondContact O-NE 2.91Å; V94-R99 PolarHBondContact O-NH2 3.19Å; A95-R99 PolarHBondContact O-N 2.73Å; P96-R99 PolarHBondContact O-N 2.88Å; R99-K101 PolarHBondContact O-N 3.4Å
100G89.6Confident93.4Very high90 Ų9047.8 Ų47.893%0.92827%0.273SS*.THydrogen-bonded Turntrans75.9-3-17800000115.4
101K93.4Very high93.5Very high128 Ų12846.6 Ų46.656%0.55727%0.268SS*.THydrogen-bonded Turntrans-9910.8-178.9-54.7-178.2-164.1166.10114.4Q97 E98 R99 V103Q97-K101 WeakPolarHBondContact O-CE 3.43Å; Q97-K101 PolarHBondContact O-NZ 3.29Å; E98-K101 IonicContact OE1-NZ 3.4Å; E98-K101 VanDerWaalsContact OE2-CD 3.25Å; E98-K101 WeakPolarHBondContact OE2-CD 3.49Å; E98-K101 IonicContact OE2-NZ 2.92Å; E98-K101 PolarHBondContact OE2-NZ 2.82Å; R99-K101 PolarHBondContact O-N 3.4Å; K101-V103 PolarHBondContact O-N 3.25Å
102G92.1Very high93.5Very high46 Ų4647.1 Ų47.147%0.47427%0.271SS..THydrogen-bonded Turntrans80.15.9178.200000116.1A104 G105 V106G102-A104 PolarHBondContact O-N 2.9Å; G102-G105 PolarHBondContact O-N 3.1Å; G102-V106 PolarHBondContact O-N 2.95Å; G102-V106 VanDerWaalsContact O-N 3.17Å
103V94.7Very high93.6Very high11 Ų1148.3 Ų48.37%0.06727%0.274CS..Hα-helixtrans-53.8-48.2-177.9176.50000112.6L21 I73 A74 V94 E98 K101 G105 V106 L107L21-V103 HydrophobicContact CD1-CG1 4.44Å; I73-V103 HydrophobicContact CD1-CG1 4.1Å; I73-V103 HydrophobicContact CD1-CG2 4.28Å; A74-V103 HydrophobicContact CB-CG1 3.73Å; V94-V103 HydrophobicContact CG1-CB 4.18Å; V94-V103 HydrophobicContact CG1-CG1 4.37Å; E98-V103 HydrophobicContact CB-CG2 4.2Å; K101-V103 PolarHBondContact O-N 3.25Å; V103-G105 VanDerWaalsContact C-N 3.26Å; V103-G105 PolarHBondContact O-N 2.83Å; V103-V106 PolarHBondContact O-N 2.9Å; V103-V106 VanDerWaalsContact O-N 3.1Å; V103-L107 WeakPolarHBondContact O-CB 3.3Å; V103-L107 PolarHBondContact O-N 3.39Å
104A92.8Very high93.6Very high32 Ų3248.7 Ų48.726%0.26428%0.277SS..Hα-helixtrans-55.8-40.9177.900000112.6L92 V94 G102 L107 L108L92-A104 HydrophobicContact CD1-CB 3.87Å; L92-A104 HydrophobicContact CD2-CB 3.85Å; L92-A104 HydrophobicContact CG-CB 4.48Å; V94-A104 HydrophobicContact CG2-CB 4.04Å; G102-A104 PolarHBondContact O-N 2.9Å; A104-L107 PolarHBondContact O-N 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.26Å; A104-L108 PolarHBondContact O-N 3Å
105G92.4Very high93.6Very high33 Ų3348.2 Ų48.234%0.3427%0.274SS..Hα-helixtrans-68.1-36.2178.400000113.1G102 V103 R109G102-G105 PolarHBondContact O-N 3.1Å; V103-G105 VanDerWaalsContact C-N 3.26Å; V103-G105 PolarHBondContact O-N 2.83Å; G105-R109 WeakPolarHBondContact O-CG 3.13Å; G105-R109 PolarHBondContact O-N 3.2Å; G105-R109 PolarHBondContact O-NH1 2.85Å
106V94.1Very high93.7Very high21 Ų2150.6 Ų50.613%0.12728%0.284CS..Hα-helixtrans-68.9-45.8174.5-1750000110.3T19 L21 F23 G102 V103 R109 F110T19-V106 HydrophobicContact CG2-CG1 4.07Å; T19-V106 HydrophobicContact CG2-CG2 4.41Å; L21-V106 HydrophobicContact CD1-CB 4.35Å; L21-V106 HydrophobicContact CD1-CG1 4.2Å; F23-V106 HydrophobicContact CE2-CG1 4.42Å; F23-V106 HydrophobicContact CZ-CG1 3.88Å; G102-V106 PolarHBondContact O-N 2.95Å; G102-V106 VanDerWaalsContact O-N 3.17Å; V103-V106 PolarHBondContact O-N 2.9Å; V103-V106 VanDerWaalsContact O-N 3.1Å; V106-R109 PolarHBondContact O-N 3.1Å; V106-F110 PolarHBondContact O-N 3.29Å
107L95.8Very high93.8Very high0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-61.2-45.6179.217757.6000111.8F23 I64 A66 A74 E76 V103 A104 R109 F110 C111F23-L107 HydrophobicContact CD1-CD1 3.71Å; F23-L107 HydrophobicContact CE1-CB 4.17Å; F23-L107 HydrophobicContact CE1-CD1 3.62Å; F23-L107 HydrophobicContact CE1-CG 4.49Å; I64-L107 HydrophobicContact CB-CD1 4.25Å; I64-L107 HydrophobicContact CG2-CD1 3.7Å; A66-L107 HydrophobicContact CB-CD1 4.43Å; A74-L107 HydrophobicContact CB-CD2 3.79Å; E76-L107 HydrophobicContact CB-CD1 4.45Å; E76-L107 HydrophobicContact CB-CD2 3.7Å; E76-L107 HydrophobicContact CB-CG 3.86Å; V103-L107 WeakPolarHBondContact O-CB 3.3Å; V103-L107 PolarHBondContact O-N 3.39Å; A104-L107 PolarHBondContact O-N 3.28Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 3.4Å; L107-F110 WeakPolarHBondContact O-CB 3.5Å; L107-F110 PolarHBondContact O-N 2.88Å; L107-C111 PolarHBondContact O-N 2.86Å; L107-C111 PolarHBondContact O-SG 3.29Å
108L94.1Very high93.8Very high26 Ų2650.5 Ų50.514%0.13629%0.286CS..Hα-helixtrans-61.8-39.7177.2-178.961.7000112.3M87 V89 A104 C111 S112 T125M87-L108 HydrophobicContact CE-CD1 4.32Å; V89-L108 HydrophobicContact CB-CD1 4.41Å; V89-L108 HydrophobicContact CG1-CD1 3.68Å; V89-L108 HydrophobicContact CG2-CD1 4.32Å; A104-L108 WeakPolarHBondContact O-CB 3.26Å; A104-L108 PolarHBondContact O-N 3Å; L108-C111 PolarHBondContact O-N 3.25Å; L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.2Å; L108-S112 PolarHBondContact O-OG 3.43Å; L108-T125 HydrophobicContact CD1-CG2 4.39Å
109R93.7Very high93.8Very high151 Ų15153.8 Ų53.857%0.5730%0.297SS*.Hα-helixtrans-63.4-43.8174.6-77.4-167.9-58.6-88.65.4111.7G105 V106 L107 C111 S112 Q113G105-R109 WeakPolarHBondContact O-CG 3.13Å; G105-R109 PolarHBondContact O-N 3.2Å; G105-R109 PolarHBondContact O-NH1 2.85Å; V106-R109 PolarHBondContact O-N 3.1Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 3.4Å; R109-C111 VanDerWaalsContact C-N 3.34Å; R109-C111 PolarHBondContact O-N 2.83Å; R109-S112 WeakPolarHBondContact O-CB 3.38Å; R109-S112 PolarHBondContact O-N 2.99Å; R109-Q113 WeakPolarHBondContact O-CG 3.33Å; R109-Q113 PolarHBondContact O-N 2.9Å
110F95.3Very high94Very high4 Ų452 Ų522%0.01830%0.301CS..Hα-helixtrans-59.8-46175.4178.4-88.7000111.4L12 P13 F23 I64 V106 L107 S112 Q113 L114L12-F110 HydrophobicContact CB-CZ 4.05Å; L12-F110 HydrophobicContact CD2-CE1 4.02Å; L12-F110 HydrophobicContact CD2-CZ 3.81Å; L12-F110 HydrophobicContact CG-CZ 4.41Å; P13-F110 HydrophobicContact CB-CD2 4.25Å; P13-F110 HydrophobicContact CB-CE2 3.87Å; P13-F110 HydrophobicContact CG-CD2 4.44Å; P13-F110 HydrophobicContact CG-CE2 4.04Å; P13-F110 HydrophobicContact CG-CZ 4.26Å; P13-F110 WeakPolarHBondContact O-CE2 3.47Å; F23-F110 HydrophobicContact CB-CD1 3.87Å; F23-F110 HydrophobicContact CB-CD2 4.11Å; F23-F110 HydrophobicContact CB-CE1 3.46Å; F23-F110 VanDerWaalsContact CB-CE1 3.46Å; F23-F110 HydrophobicContact CB-CE2 3.7Å; F23-F110 HydrophobicContact CB-CG 4.17Å; F23-F110 HydrophobicContact CB-CZ 3.34Å; F23-F110 HydrophobicContact CD1-CB 4.4Å; F23-F110 HydrophobicContact CD1-CD1 4Å; F23-F110 HydrophobicContact CD1-CE1 4.44Å; F23-F110 HydrophobicContact CD1-CG 4.05Å; F23-F110 HydrophobicContact CD2-CB 4.25Å; F23-F110 HydrophobicContact CD2-CD1 4.23Å; F23-F110 AromaticContact CD2-CD2 3.37Å; F23-F110 HydrophobicContact CD2-CD2 3.37Å; F23-F110 HydrophobicContact CD2-CE1 4.48Å; F23-F110 AromaticContact CD2-CE2 3.65Å; F23-F110 HydrophobicContact CD2-CE2 3.65Å; F23-F110 AromaticContact CD2-CG 3.68Å; F23-F110 HydrophobicContact CD2-CG 3.68Å; F23-F110 HydrophobicContact CD2-CZ 4.19Å; F23-F110 HydrophobicContact CE1-CB 4.28Å; F23-F110 HydrophobicContact CE1-CG 4.4Å; F23-F110 HydrophobicContact CE2-CB 4.12Å; F23-F110 AromaticContact CE2-CD2 3.9Å; F23-F110 HydrophobicContact CE2-CD2 3.9Å; F23-F110 HydrophobicContact CE2-CG 4.05Å; F23-F110 HydrophobicContact CG-CB 4.4Å; F23-F110 AromaticContact CG-CD1 3.76Å; F23-F110 HydrophobicContact CG-CD1 3.76Å; F23-F110 AromaticContact CG-CD2 3.76Å; F23-F110 HydrophobicContact CG-CD2 3.76Å; F23-F110 AromaticContact CG-CE1 3.9Å; F23-F110 HydrophobicContact CG-CE1 3.9Å; F23-F110 AromaticContact CG-CE2 3.87Å; F23-F110 HydrophobicContact CG-CE2 3.87Å; F23-F110 AromaticContact CG-CG 3.68Å; F23-F110 HydrophobicContact CG-CG 3.68Å; F23-F110 AromaticContact CG-CZ 3.93Å; F23-F110 HydrophobicContact CG-CZ 3.93Å; F23-F110 HydrophobicContact CZ-CB 4.15Å; F23-F110 HydrophobicContact CZ-CG 4.41Å; I64-F110 HydrophobicContact CG2-CD1 3.9Å; I64-F110 HydrophobicContact CG2-CE1 3.84Å; V106-F110 PolarHBondContact O-N 3.29Å; L107-F110 WeakPolarHBondContact O-CB 3.5Å; L107-F110 PolarHBondContact O-N 2.88Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.5Å; F110-Q113 PolarHBondContact O-N 2.91Å; F110-L114 HydrophobicContact CE1-CD2 4.49Å; F110-L114 WeakPolarHBondContact O-CB 3.37Å; F110-L114 PolarHBondContact O-N 3.14Å
111C96.1Very high94.3Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-61.7-41177.2-63.30000111.9V78 L107 L108 R109 Q113 L114 V115V78-C111 HydrophobicContact CG1-CB 3.63Å; L107-C111 PolarHBondContact O-N 2.86Å; L107-C111 PolarHBondContact O-SG 3.29Å; L108-C111 PolarHBondContact O-N 3.25Å; R109-C111 VanDerWaalsContact C-N 3.34Å; R109-C111 PolarHBondContact O-N 2.83Å; C111-Q113 PolarHBondContact O-N 3.27Å; C111-L114 PolarHBondContact O-N 3.44Å; C111-V115 WeakPolarHBondContact O-CB 3.37Å; C111-V115 WeakPolarHBondContact O-CG2 3.24Å; C111-V115 PolarHBondContact O-N 3.08Å
112S95Very high94.5Very high14 Ų1447.5 Ų47.510%0.09826%0.258CS..Hα-helixtrans-59.3-46.1176-58.10000111.6L108 R109 F110 V115 K116L108-S112 WeakPolarHBondContact O-CB 3.4Å; L108-S112 PolarHBondContact O-N 3.2Å; L108-S112 PolarHBondContact O-OG 3.43Å; R109-S112 WeakPolarHBondContact O-CB 3.38Å; R109-S112 PolarHBondContact O-N 2.99Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 3.5Å; S112-V115 PolarHBondContact O-N 3.21Å; S112-K116 WeakPolarHBondContact O-CB 3.41Å; S112-K116 PolarHBondContact O-N 3.22Å
113Q94.8Very high94.7Very high97 Ų9750.4 Ų50.445%0.45326%0.258SS..Hα-helixtrans-64.8-43.9177.3-71.2174.1-17.400112.3P13 R109 F110 C111 K116 S117P13-Q113 HydrophobicContact CB-CB 4.39Å; P13-Q113 HydrophobicContact CG-CB 4.07Å; R109-Q113 WeakPolarHBondContact O-CG 3.33Å; R109-Q113 PolarHBondContact O-N 2.9Å; F110-Q113 PolarHBondContact O-N 2.91Å; C111-Q113 PolarHBondContact O-N 3.27Å; Q113-K116 PolarHBondContact O-N 3.04Å; Q113-S117 WeakPolarHBondContact O-CB 3.5Å; Q113-S117 PolarHBondContact O-N 2.67Å
114L94.7Very high94.9Very high12 Ų1250.6 Ų50.66%0.06326%0.259CS..Hα-helixtrans-59.9-48.1176.4173.265.2000111L12 P13 T62 I64 F110 C111 S117 K118L12-L114 HydrophobicContact CD2-CD1 4.2Å; L12-L114 HydrophobicContact CD2-CD2 4.13Å; P13-L114 HydrophobicContact CG-CB 3.9Å; T62-L114 HydrophobicContact CG2-CD2 4.41Å; I64-L114 HydrophobicContact CD1-CD2 3.47Å; I64-L114 VanDerWaalsContact CD1-CD2 3.47Å; I64-L114 HydrophobicContact CG1-CD2 4.03Å; F110-L114 HydrophobicContact CE1-CD2 4.49Å; F110-L114 WeakPolarHBondContact O-CB 3.37Å; F110-L114 PolarHBondContact O-N 3.14Å; C111-L114 PolarHBondContact O-N 3.44Å; L114-S117 WeakPolarHBondContact O-CB 3.5Å; L114-S117 PolarHBondContact O-N 2.89Å; L114-K118 PolarHBondContact O-N 3.02Å
115V95.4Very high95.1Very high7 Ų749.3 Ų49.34%0.04225%0.248CC..Hα-helixtrans-65.9-42.9-180167.90000110.7V78 V80 M87 C111 S112 S117 K118 W119 V122V78-V115 HydrophobicContact CB-CG2 4.21Å; V78-V115 HydrophobicContact CG2-CG2 3.68Å; V80-V115 HydrophobicContact CG2-CG1 3.88Å; M87-V115 HydrophobicContact CB-CG1 4.15Å; M87-V115 HydrophobicContact CG-CB 4.4Å; M87-V115 HydrophobicContact CG-CG1 4.12Å; M87-V115 HydrophobicContact CG-CG2 4.12Å; M87-V115 HydrophobicContact SD-CB 3.59Å; M87-V115 VanDerWaalsContact SD-CB 3.59Å; M87-V115 HydrophobicContact SD-CG1 3.87Å; M87-V115 HydrophobicContact SD-CG2 3.5Å; M87-V115 WeakPolarHBondContact SD-CG2 3.31Å; C111-V115 WeakPolarHBondContact O-CB 3.37Å; C111-V115 WeakPolarHBondContact O-CG2 3.24Å; C111-V115 PolarHBondContact O-N 3.08Å; S112-V115 PolarHBondContact O-N 3.21Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.07Å; V115-K118 PolarHBondContact O-N 3.05Å; V115-W119 HydrophobicContact CG1-CB 4.5Å; V115-W119 WeakPolarHBondContact O-CA 3.36Å; V115-W119 WeakPolarHBondContact O-CB 3.36Å; V115-W119 PolarHBondContact O-N 3.45Å; V115-V122 HydrophobicContact CG1-CB 4.42Å; V115-V122 HydrophobicContact CG1-CG1 4.33Å; V115-V122 HydrophobicContact CG1-CG2 3.76Å
116K94.2Very high95.3Very high49 Ų4948 Ų4821%0.21323%0.232CC..Hα-helixtrans-65.7-31.3176.6-84.4-58.2-168.9-176.60114.6S112 Q113 P120 E121 V122 K123 V346S112-K116 WeakPolarHBondContact O-CB 3.41Å; S112-K116 PolarHBondContact O-N 3.22Å; Q113-K116 PolarHBondContact O-N 3.04Å; K116-P120 PolarHBondContact NZ-O 3Å; K116-P120 WeakPolarHBondContact O-CA 3.29Å; K116-E121 PolarHBondContact NZ-O 2.81Å; K116-V122 HydrophobicContact CD-CB 4.14Å; K116-V122 VanDerWaalsContact NZ-C 3.3Å; K116-V122 VanDerWaalsContact NZ-CA 3.34Å; K116-K123 VanDerWaalsContact NZ-N 3.2Å; K116-V346 HydrophobicContact CD-CG1 4.38Å; K116-V346 HydrophobicContact CG-CB 4.41Å; K116-V346 HydrophobicContact CG-CG1 3.61Å
117S93.7Very high95.4Very high89 Ų8948.3 Ų48.362%0.62223%0.233SC*.Hα-helixtrans-63.3-43.2171.7171.10000111.8Q113 L114 V115Q113-S117 WeakPolarHBondContact O-CB 3.5Å; Q113-S117 PolarHBondContact O-N 2.67Å; L114-S117 WeakPolarHBondContact O-CB 3.5Å; L114-S117 PolarHBondContact O-N 2.89Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.07Å
118K92.9Very high95.5Very high107 Ų10749.7 Ų49.747%0.46524%0.242SC..Hα-helixtrans-85-30.1-176.8-172.1177.6174-1750113.8L114 V115L114-K118 PolarHBondContact O-N 3.02Å; V115-K118 PolarHBondContact O-N 3.05Å
119W94Very high95.4Very high90 Ų9050.3 Ų50.334%0.34124%0.242SC..  trans-135.475.9-175.3-53.193000109.3V80 V115 E121 V122V80-W119 HydrophobicContact CG1-CD2 4.15Å; V80-W119 HydrophobicContact CG1-CE3 4.35Å; V80-W119 HydrophobicContact CG1-CG 4.31Å; V80-W119 HydrophobicContact CG2-CD2 4.33Å; V80-W119 HydrophobicContact CG2-CG 3.99Å; V115-W119 HydrophobicContact CG1-CB 4.5Å; V115-W119 WeakPolarHBondContact O-CA 3.36Å; V115-W119 WeakPolarHBondContact O-CB 3.36Å; V115-W119 PolarHBondContact O-N 3.45Å; W119-E121 PolarHBondContact O-N 3.45Å; W119-E121 VanDerWaalsContact O-N 3.11Å; W119-V122 HydrophobicContact CB-CG2 3.66Å; W119-V122 WeakPolarHBondContact O-CG2 3.36Å; W119-V122 PolarHBondContact O-N 2.88Å
120P94.9Very high95.3Very high85 Ų8546.8 Ų46.855%0.55224%0.235SC*.SBendtrans-56.5-28.9-176.5-26.736.2000113.5K116K116-P120 PolarHBondContact NZ-O 3Å; K116-P120 WeakPolarHBondContact O-CA 3.29Å
121E96.1Very high95Very high123 Ų12350 Ų5058%0.57525%0.252SS*.SBendtrans-58.7-57.4-179.6-66.273.3-165.500109.3K116 W119 K123K116-E121 PolarHBondContact NZ-O 2.81Å; W119-E121 PolarHBondContact O-N 3.45Å; W119-E121 VanDerWaalsContact O-N 3.11Å; E121-K123 PolarHBondContact O-N 2.96Å
122V97.7Very high94.6Very high0 Ų059.3 Ų59.30%030%0.296CS..  trans2.9-124.9-172.1168.50000112.6V80 G84 E85 M87 V115 K116 W119 V346V80-V122 HydrophobicContact CG1-CG2 4.24Å; V80-V122 HydrophobicContact CG2-CG2 4.46Å; G84-V122 WeakPolarHBondContact O-CA 3.33Å; G84-V122 VanDerWaalsContact O-CG2 3.24Å; G84-V122 WeakPolarHBondContact O-CG2 3.5Å; G84-V122 PolarHBondContact O-N 2.72Å; E85-V122 CarbonylContact C-O 3.5Å; E85-V122 VanDerWaalsContact C-O 3.32Å; E85-V122 WeakPolarHBondContact CA-O 3.14Å; E85-V122 CarbonylContact O-C 3.57Å; M87-V122 HydrophobicContact CB-CG1 3.99Å; V115-V122 HydrophobicContact CG1-CB 4.42Å; V115-V122 HydrophobicContact CG1-CG1 4.33Å; V115-V122 HydrophobicContact CG1-CG2 3.76Å; K116-V122 HydrophobicContact CD-CB 4.14Å; K116-V122 VanDerWaalsContact NZ-C 3.3Å; K116-V122 VanDerWaalsContact NZ-CA 3.34Å; W119-V122 HydrophobicContact CB-CG2 3.66Å; W119-V122 WeakPolarHBondContact O-CG2 3.36Å; W119-V122 PolarHBondContact O-N 2.88Å; V122-V346 HydrophobicContact CG1-CG2 3.73Å
123K97.1Very high94.4Very high107 Ų10759.9 Ų59.947%0.46530%0.298SS..  trans143.7-50.6169-85.8163.3-154.3177.60106.5E85 K116 E121 D345 V346E85-K123 PolarHBondContact O-N 3.17Å; E85-K123 IonicContact OE1-NZ 2.65Å; E85-K123 PolarHBondContact OE1-NZ 2.92Å; E85-K123 IonicContact OE2-NZ 2.9Å; E85-K123 PolarHBondContact OE2-NZ 2.77Å; K116-K123 VanDerWaalsContact NZ-N 3.2Å; E121-K123 PolarHBondContact O-N 2.96Å; K123-D345 WeakPolarHBondContact O-CA 2.94Å; K123-V346 PolarHBondContact O-N 3.06Å
124V97.6Very high94.3Very high16 Ų1656.3 Ų56.310%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-127.5148.6-178-57.30000112.6E85 T86 M87 R142 E343 S344E85-V124 PolarHBondContact O-N 2.83Å; T86-V124 WeakPolarHBondContact CA-O 3.37Å; T86-V124 HydrophobicContact CG2-CG2 4.04Å; T86-V124 VanDerWaalsContact OG1-CG2 3.29Å; T86-V124 WeakPolarHBondContact OG1-CG2 3.45Å; M87-V124 PolarHBondContact N-O 2.72Å; V124-R142 VanDerWaalsContact CG1-NH2 3.26Å; V124-E343 HydrophobicContact CB-CB 4.49Å; V124-S344 CarbonylContact C-O 3.58Å; V124-S344 VanDerWaalsContact CA-O 3.31Å; V124-S344 WeakPolarHBondContact CA-O 3.34Å
125T97.3Very high94.2Very high4 Ų460.9 Ų60.93%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-97.8131.1164.4-61.20000107.7M87 V89 L108 E343 S344 V346M87-T125 HydrophobicContact CE-CG2 3.59Å; M87-T125 WeakPolarHBondContact CE-OG1 3.25Å; M87-T125 CarbonylContact O-C 3.58Å; M87-T125 VanDerWaalsContact O-CA 3.26Å; M87-T125 WeakPolarHBondContact O-CA 3.43Å; V89-T125 HydrophobicContact CG1-CG2 3.84Å; V89-T125 HydrophobicContact CG2-CG2 4.08Å; L108-T125 HydrophobicContact CD1-CG2 4.39Å; T125-E343 CarbonylContact O-C 3.56Å; T125-E343 WeakPolarHBondContact O-CA 3.41Å; T125-E343 WeakPolarHBondContact O-CB 3.38Å; T125-S344 PolarHBondContact N-O 3.05Å; T125-S344 PolarHBondContact O-N 2.88Å; T125-V346 VanDerWaalsContact OG1-CG2 3.3Å; T125-V346 WeakPolarHBondContact OG1-CG2 3.4Å
126R97.8Very high94Very high5 Ų568.8 Ų68.82%0.01935%0.351CS..EExtended strand (participates in β ladder)trans-121143.6178-167.5-179.8-63.9137.68.9110.9D82 T86 M87 L88 V89 P223 V341 V342 E343D82-R126 IonicContact OD1-NH1 3.13Å; D82-R126 IonicContact OD2-CZ 3.82Å; D82-R126 IonicContact OD2-NH1 2.71Å; D82-R126 PolarHBondContact OD2-NH1 3.02Å; D82-R126 IonicContact OD2-NH2 3.86Å; D82-R126 PolarHBondContact OD2-NH2 3.08Å; T86-R126 HydrophobicContact CG2-CB 3.67Å; T86-R126 PolarHBondContact OG1-NH2 3Å; M87-R126 PolarHBondContact O-N 3.33Å; L88-R126 WeakPolarHBondContact CA-O 3.3Å; V89-R126 PolarHBondContact N-O 2.8Å; R126-P223 HydrophobicContact CG-CG 3.78Å; R126-P223 PolarHBondContact NH1-O 2.91Å; R126-V341 HydrophobicContact CG-CG1 4.14Å; R126-V342 WeakPolarHBondContact CA-O 3.22Å; R126-V342 WeakPolarHBondContact CG-O 3.47Å; R126-E343 HydrophobicContact CB-CB 4.39Å; R126-E343 HydrophobicContact CG-CB 4.41Å; R126-E343 IonicContact NE-OE2 3.23Å; R126-E343 IonicContact NH2-OE2 3.48Å
127L96.1Very high93.9Very high28 Ų2868.2 Ų68.215%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-150.6161.1171.565152.3000112.1V89 R129 Y141 V342V89-L127 HydrophobicContact CG2-CB 3.64Å; V89-L127 HydrophobicContact CG2-CD2 4.27Å; V89-L127 HydrophobicContact CG2-CG 4.38Å; L127-R129 HydrophobicContact CD1-CG 3.66Å; L127-R129 HydrophobicContact CG-CG 4.28Å; L127-Y141 HydrophobicContact CD2-CD1 4.34Å; L127-Y141 HydrophobicContact CD2-CE1 3.68Å; L127-V342 HydrophobicContact CD2-CG2 3.87Å; L127-V342 HydrophobicContact CG-CG2 3.79Å; L127-V342 PolarHBondContact N-O 3Å; L127-V342 PolarHBondContact O-N 3.09Å
128T96.3Very high93.9Very high29 Ų2968.9 Ų68.918%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-102.7143.8167.149.80000111.2W221 P223 Q339 C340 V341T128-W221 WeakPolarHBondContact CG2-O 3.34Å; T128-W221 PolarHBondContact OG1-O 3.22Å; T128-P223 HydrophobicContact CG2-CG 4.12Å; T128-Q339 HydrophobicContact CG2-CG 4.27Å; T128-C340 CarbonylContact C-O 3.53Å; T128-C340 WeakPolarHBondContact CA-O 3.12Å; T128-V341 HydrophobicContact CG2-CG2 3.93Å
129R93.7Very high93.9Very high39 Ų3971.6 Ų71.615%0.14736%0.356CS..EExtended strand (participates in β ladder)trans-135.9148.6-179.7-68.7178.868.2168.2-1.5110.4L127 D131 D137 Q339 C340 V342L127-R129 HydrophobicContact CD1-CG 3.66Å; L127-R129 HydrophobicContact CG-CG 4.28Å; R129-D131 WeakPolarHBondContact CB-OD1 3.29Å; R129-D131 IonicContact CZ-OD1 3.91Å; R129-D131 IonicContact CZ-OD2 3.77Å; R129-D131 IonicContact NE-OD1 2.78Å; R129-D131 PolarHBondContact NE-OD1 2.82Å; R129-D131 IonicContact NE-OD2 3.58Å; R129-D131 IonicContact NH2-OD1 3.71Å; R129-D131 PolarHBondContact NH2-OD1 2.89Å; R129-D131 IonicContact NH2-OD2 2.72Å; R129-D131 PolarHBondContact NH2-OD2 3.33Å; R129-D137 IonicContact CZ-OD1 2.77Å; R129-D137 IonicContact NH1-OD1 2.9Å; R129-D137 PolarHBondContact NH1-OD1 2.97Å; R129-D137 IonicContact NH2-OD1 3.75Å; R129-D137 PolarHBondContact NH2-OD1 3.47Å; R129-D137 VanDerWaalsContact NH2-OD1 3.14Å; R129-Q339 CarbonylContact O-C 3.48Å; R129-Q339 WeakPolarHBondContact O-CA 3.2Å; R129-C340 PolarHBondContact N-O 2.96Å; R129-C340 PolarHBondContact O-N 2.93Å; R129-V342 HydrophobicContact CG-CG2 4.48Å
130D91.4Very high93.8Very high77 Ų7772.3 Ų72.341%0.41236%0.362SS..  trans-116.21.6174.969.8-22.4000113.7I149 W221 E338D130-I149 HydrophobicContact CB-CD1 4.09Å; D130-W221 HydrophobicContact CB-CH2 3.66Å; D130-W221 HydrophobicContact CB-CZ3 3.9Å; D130-E338 WeakPolarHBondContact CA-O 3.39Å
131D89Confident93.8Very high72 Ų7269.4 Ų69.439%0.38534%0.34SS..SBendtrans-88154.7175.869.8-59000112.2R129 L133R129-D131 WeakPolarHBondContact CB-OD1 3.29Å; R129-D131 IonicContact CZ-OD1 3.91Å; R129-D131 IonicContact CZ-OD2 3.77Å; R129-D131 IonicContact NE-OD1 2.78Å; R129-D131 PolarHBondContact NE-OD1 2.82Å; R129-D131 IonicContact NE-OD2 3.58Å; R129-D131 IonicContact NH2-OD1 3.71Å; R129-D131 PolarHBondContact NH2-OD1 2.89Å; R129-D131 IonicContact NH2-OD2 2.72Å; R129-D131 PolarHBondContact NH2-OD2 3.33Å; D131-L133 PolarHBondContact O-N 3.27Å; D131-L133 VanDerWaalsContact O-N 3.13Å
132Q87.6Confident93.8Very high195 Ų19568.2 Ų68.291%0.91133%0.33SS*.  trans-66.5114.3178.2-71.7-172.82.500110.8G134Q132-G134 PolarHBondContact O-N 3.07Å
133L90.4Very high93.8Very high27 Ų2771.6 Ų71.614%0.14135%0.348CS..  trans-68.1125176.5-59.8-179.3000111.1D131 D137 F138 L143 C340 V342D131-L133 PolarHBondContact O-N 3.27Å; D131-L133 VanDerWaalsContact O-N 3.13Å; L133-D137 HydrophobicContact CB-CB 4.27Å; L133-D137 HydrophobicContact CD2-CB 4.1Å; L133-F138 HydrophobicContact CB-CE1 4.27Å; L133-F138 HydrophobicContact CB-CE2 3.95Å; L133-F138 HydrophobicContact CB-CZ 3.66Å; L133-F138 HydrophobicContact CD1-CE1 4.07Å; L133-F138 HydrophobicContact CD1-CZ 4.17Å; L133-L143 HydrophobicContact CD1-CD1 4.25Å; L133-C340 HydrophobicContact CD1-CB 3.79Å; L133-C340 HydrophobicContact CG-CB 4.38Å; L133-V342 HydrophobicContact CD1-CG1 3.81Å
134G92.3Very high93.8Very high21 Ų2168.1 Ų68.122%0.21633%0.334CS..  trans-99.3176.317700000113.5Q132 K136 D137 F138Q132-G134 PolarHBondContact O-N 3.07Å; G134-K136 PolarHBondContact O-N 3.43Å; G134-K136 VanDerWaalsContact O-N 3.13Å; G134-D137 PolarHBondContact N-OD2 2.78Å; G134-D137 WeakPolarHBondContact O-CB 3.46Å; G134-D137 PolarHBondContact O-N 3.17Å; G134-F138 WeakPolarHBondContact O-CD2 3.23Å; G134-F138 PolarHBondContact O-N 3.42Å
135P93.4Very high93.7Very high109 Ų10968 Ų6871%0.70833%0.333SS*.Hα-helixtrans-54.7-34.8179.7-2835.4000114.4D137 F138 Q139P135-D137 VanDerWaalsContact C-N 3.34Å; P135-F138 PolarHBondContact O-N 3.46Å; P135-Q139 WeakPolarHBondContact O-CG 3.22Å; P135-Q139 PolarHBondContact O-N 3.18Å
136K91.1Very high93.7Very high173 Ų17371 Ų7175%0.75235%0.346SS*.Hα-helixtrans-68.9-32.4176.9-69.7-176.7178.6178.20112.5G134 Q139 K140G134-K136 PolarHBondContact O-N 3.43Å; G134-K136 VanDerWaalsContact O-N 3.13Å; K136-Q139 PolarHBondContact O-N 2.89Å; K136-K140 PolarHBondContact O-N 3.35Å
137D92.3Very high93.7Very high37 Ų3771 Ų7120%0.19835%0.346CS..Hα-helixtrans-68.1-41176.8-62-72.1000110.5R129 L133 G134 P135 Q139 K140 Y141R129-D137 IonicContact CZ-OD1 2.77Å; R129-D137 IonicContact NH1-OD1 2.9Å; R129-D137 PolarHBondContact NH1-OD1 2.97Å; R129-D137 IonicContact NH2-OD1 3.75Å; R129-D137 PolarHBondContact NH2-OD1 3.47Å; R129-D137 VanDerWaalsContact NH2-OD1 3.14Å; L133-D137 HydrophobicContact CB-CB 4.27Å; L133-D137 HydrophobicContact CD2-CB 4.1Å; G134-D137 PolarHBondContact N-OD2 2.78Å; G134-D137 WeakPolarHBondContact O-CB 3.46Å; G134-D137 PolarHBondContact O-N 3.17Å; P135-D137 VanDerWaalsContact C-N 3.34Å; D137-Q139 PolarHBondContact O-N 3.1Å; D137-K140 PolarHBondContact O-N 2.92Å; D137-Y141 HydrophobicContact CB-CD2 4.41Å; D137-Y141 PolarHBondContact O-N 3.46Å
138F93.1Very high93.7Very high103 Ų10369.6 Ų69.645%0.45234%0.339SS..Hα-helixtrans-69.6-17.6176.7-63.3-64.3000114.2L133 G134 P135L133-F138 HydrophobicContact CB-CE1 4.27Å; L133-F138 HydrophobicContact CB-CE2 3.95Å; L133-F138 HydrophobicContact CB-CZ 3.66Å; L133-F138 HydrophobicContact CD1-CE1 4.07Å; L133-F138 HydrophobicContact CD1-CZ 4.17Å; G134-F138 WeakPolarHBondContact O-CD2 3.23Å; G134-F138 PolarHBondContact O-N 3.42Å; P135-F138 PolarHBondContact O-N 3.46Å
139Q93.3Very high93.8Very high163 Ų16368.5 Ų68.576%0.76233%0.332SS*.Hα-helixtrans-75.2-29.1168.7-701730.500112.1P135 K136 D137P135-Q139 WeakPolarHBondContact O-CG 3.22Å; P135-Q139 PolarHBondContact O-N 3.18Å; K136-Q139 PolarHBondContact O-N 2.89Å; D137-Q139 PolarHBondContact O-N 3.1Å
140K91.6Very high94Very high106 Ų10666.8 Ų66.846%0.46133%0.326SS..Hα-helixtrans-93-40.7-177.6-179.4177177.3-1660112.2K136 D137 S344K136-K140 PolarHBondContact O-N 3.35Å; D137-K140 PolarHBondContact O-N 2.92Å; K140-S344 VanDerWaalsContact O-CB 3.23Å; K140-S344 WeakPolarHBondContact O-CB 3.44Å
141Y95.6Very high94.2Very high24 Ų2463.4 Ų63.49%0.09431%0.308CS..  trans-120.5143-168.8-57.1-71.3000112.3L127 D137 V342 E343L127-Y141 HydrophobicContact CD2-CD1 4.34Å; L127-Y141 HydrophobicContact CD2-CE1 3.68Å; D137-Y141 HydrophobicContact CB-CD2 4.41Å; D137-Y141 PolarHBondContact O-N 3.46Å; Y141-V342 HydrophobicContact CD1-CG2 4.19Å; Y141-V342 HydrophobicContact CD2-CG2 4.45Å; Y141-V342 HydrophobicContact CG-CB 4.23Å; Y141-V342 HydrophobicContact CG-CG2 4.1Å; Y141-E343 CarbonylContact C-O 3.6Å; Y141-E343 WeakPolarHBondContact CA-O 3.34Å
142R96.4Very high94.6Very high98 Ų9860.1 Ų60.137%0.3729%0.29SS..EExtended strand (participates in β ladder)trans-86.1132.7162.5-60.7177.5-66.4-93.45108.7V124 V342 E343 D345V124-R142 VanDerWaalsContact CG1-NH2 3.26Å; R142-V342 CarbonylContact O-C 3.54Å; R142-V342 VanDerWaalsContact O-CA 3.3Å; R142-V342 WeakPolarHBondContact O-CA 3.3Å; R142-E343 HydrophobicContact CB-CG 4.15Å; R142-E343 IonicContact CZ-OE1 3.41Å; R142-E343 PolarHBondContact N-O 3.24Å; R142-E343 IonicContact NE-OE1 3.46Å; R142-E343 PolarHBondContact NE-OE1 2.72Å; R142-E343 IonicContact NH2-OE1 3.58Å; R142-E343 PolarHBondContact NH2-OE1 3.36Å; R142-E343 PolarHBondContact O-N 3.3Å; R142-D345 IonicContact CZ-OD1 3.22Å; R142-D345 VanDerWaalsContact CZ-OD1 3.28Å; R142-D345 IonicContact NH1-OD1 3.15Å; R142-D345 PolarHBondContact NH1-OD1 3.04Å; R142-D345 IonicContact NH1-OD2 2.79Å; R142-D345 PolarHBondContact NH1-OD2 3.1Å; R142-D345 IonicContact NH2-OD1 2.72Å; R142-D345 PolarHBondContact NH2-OD1 3.02Å
143L96.9Very high94.9Very high71 Ų7153.7 Ų53.737%0.37226%0.258SS..EExtended strand (participates in β ladder)trans-80125.1172.3-179.169.6000109.2L133 K146 C340 V342L133-L143 HydrophobicContact CD1-CD1 4.25Å; L143-K146 HydrophobicContact CD1-CG 3.9Å; L143-K146 HydrophobicContact CD2-CD 4.03Å; L143-K146 HydrophobicContact CD2-CG 4.01Å; L143-K146 HydrophobicContact CG-CG 4.4Å; L143-C340 HydrophobicContact CD1-CB 4.01Å; L143-V342 HydrophobicContact CD1-CG1 3.95Å
144I96.9Very high95.2Very high34 Ų3453.1 Ų53.117%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-89.1-58174.5-61.3-55.4000109.9N214 T216 V341 E343I144-N214 HydrophobicContact CG2-CB 4.31Å; I144-N214 PolarHBondContact O-ND2 2.84Å; I144-T216 WeakPolarHBondContact CG2-OG1 3.39Å; I144-V341 HydrophobicContact CB-CB 4.17Å; I144-V341 HydrophobicContact CB-CG1 3.88Å; I144-V341 HydrophobicContact CG1-CG1 4.3Å; I144-V341 HydrophobicContact CG2-CG1 4.26Å; I144-V341 PolarHBondContact N-O 3.28Å; I144-E343 HydrophobicContact CD1-CG 3.73Å; I144-E343 HydrophobicContact CG1-CG 3.91Å
145T96.1Very high95.3Very high12 Ų1254 Ų547%0.07425%0.254CS..EExtended strand (participates in β ladder)trans-155.8168.7-179.5-171.70000110.9P213 V218 V341T145-P213 HydrophobicContact CG2-CG 4.38Å; T145-P213 WeakPolarHBondContact OG1-CB 3.26Å; T145-V218 HydrophobicContact CG2-CG2 4.4Å; T145-V341 HydrophobicContact CG2-CB 3.88Å; T145-V341 HydrophobicContact CG2-CG2 3.67Å; T145-V341 PolarHBondContact N-O 3.12Å; T145-V341 PolarHBondContact O-N 2.87Å
146K95.9Very high95.3Very high67 Ų6748.9 Ų48.929%0.29122%0.22SC..EExtended strand (participates in β ladder)trans-134.1145175.4-64.4-177.9162.7-149.40111.2L143 E338 Q339L143-K146 HydrophobicContact CD1-CG 3.9Å; L143-K146 HydrophobicContact CD2-CD 4.03Å; L143-K146 HydrophobicContact CD2-CG 4.01Å; L143-K146 HydrophobicContact CG-CG 4.4Å; K146-E338 IonicContact NZ-OE2 2.93Å; K146-E338 PolarHBondContact NZ-OE2 3.15Å; K146-Q339 CarbonylContact C-O 3.53Å; K146-Q339 WeakPolarHBondContact CA-O 2.95Å
147Q97.5Very high95.4Very high5 Ų544.6 Ų44.62%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-131141171.7-68.7171.3-72.800109.2F311 L312 E338 Q339Q147-F311 HydrophobicContact CB-CB 4.09Å; Q147-F311 HydrophobicContact CB-CD1 4.47Å; Q147-L312 CarbonylContact C-O 3.57Å; Q147-L312 WeakPolarHBondContact CA-O 3.49Å; Q147-E338 CarbonylContact O-C 3.59Å; Q147-E338 VanDerWaalsContact O-CA 3.29Å; Q147-E338 WeakPolarHBondContact O-CA 3.35Å; Q147-Q339 PolarHBondContact N-O 3.44Å; Q147-Q339 PolarHBondContact O-N 2.83Å
148G97.6Very high95.6Very high0 Ų048 Ų480%022%0.221CC..EExtended strand (participates in β ladder)trans-70.1140.8167.900000110.1F311 L312G148-F311 WeakPolarHBondContact O-CA 3.23Å; G148-L312 PolarHBondContact N-O 3.41Å; G148-L312 PolarHBondContact O-N 2.83Å; G148-L312 VanDerWaalsContact O-N 3.15Å
149I97.7Very high95.7Very high6 Ų643.3 Ų43.33%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-105.3112.4178.7-50.2-177.8000108.8D130 W221 Q309 F311 W317 T337 Q339D130-I149 HydrophobicContact CB-CD1 4.09Å; I149-W221 HydrophobicContact CD1-CH2 3.66Å; I149-W221 HydrophobicContact CD1-CZ2 4.26Å; I149-Q309 HydrophobicContact CG2-CG 3.97Å; I149-F311 HydrophobicContact CB-CE1 4.39Å; I149-F311 HydrophobicContact CD1-CE1 3.94Å; I149-F311 HydrophobicContact CG1-CD1 3.92Å; I149-F311 HydrophobicContact CG1-CE1 3.67Å; I149-F311 HydrophobicContact CG2-CE1 4.16Å; I149-W317 VanDerWaalsContact O-CD1 3.32Å; I149-W317 PolarHBondContact O-NE1 3.14Å; I149-T337 PolarHBondContact N-O 3.31Å; I149-Q339 HydrophobicContact CD1-CB 3.95Å; I149-Q339 HydrophobicContact CG1-CB 4.02Å
150L97.9Very high95.8Very high2 Ų240.2 Ų40.21%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-102.6115.5171.2178.260.8000109.1V152 Q309 M310 L312 W317 M320 A321 L332L150-V152 HydrophobicContact CD1-CG1 4.09Å; L150-V152 HydrophobicContact CG-CG1 4.18Å; L150-Q309 WeakPolarHBondContact O-CA 3.48Å; L150-M310 HydrophobicContact CB-CB 4.35Å; L150-M310 PolarHBondContact N-O 3.03Å; L150-M310 PolarHBondContact O-N 3.39Å; L150-L312 HydrophobicContact CB-CD2 4.03Å; L150-L312 HydrophobicContact CD2-CD2 4.45Å; L150-W317 HydrophobicContact CD1-CZ2 4.44Å; L150-M320 HydrophobicContact CD2-CB 3.71Å; L150-A321 HydrophobicContact CD1-CB 3.83Å; L150-L332 HydrophobicContact CD1-CD1 3.47Å; L150-L332 VanDerWaalsContact CD1-CD1 3.47Å
151L96.5Very high95.9Very high7 Ų740.6 Ų40.64%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-114.1114.3178.2-175.764.5000109.9M307 Q309 V333 K334L151-M307 HydrophobicContact CD1-CE 3.71Å; L151-M307 HydrophobicContact CD2-CE 3.79Å; L151-M307 HydrophobicContact CG-CE 3.78Å; L151-Q309 HydrophobicContact CD1-CB 3.96Å; L151-V333 HydrophobicContact CB-CB 4.37Å; L151-V333 HydrophobicContact CD2-CB 3.93Å; L151-V333 HydrophobicContact CD2-CG1 3.83Å; L151-V333 HydrophobicContact CG-CB 3.86Å; L151-V333 HydrophobicContact CG-CG1 4.3Å; L151-V333 HydrophobicContact CG-CG2 4.17Å; L151-V333 PolarHBondContact O-N 2.78Å; L151-K334 HydrophobicContact CD2-CD 4.18Å; L151-K334 HydrophobicContact CD2-CG 4.32Å
152V96.5Very high95.8Very high2 Ų243.3 Ų43.31%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-120.5154.7177.9-60.20000111.5L150 F154 C308 C324 V330 E331 L332L150-V152 HydrophobicContact CD1-CG1 4.09Å; L150-V152 HydrophobicContact CG-CG1 4.18Å; V152-F154 HydrophobicContact CG2-CD1 4.28Å; V152-F154 HydrophobicContact CG2-CE1 4.26Å; V152-C308 HydrophobicContact CG2-CB 3.86Å; V152-C308 PolarHBondContact N-O 2.8Å; V152-C308 PolarHBondContact O-N 2.93Å; V152-C324 HydrophobicContact CG1-CB 3.97Å; V152-V330 HydrophobicContact CB-CG2 3.91Å; V152-V330 HydrophobicContact CG1-CG2 4.16Å; V152-V330 HydrophobicContact CG2-CG2 4.17Å; V152-E331 CarbonylContact C-O 3.5Å; V152-E331 WeakPolarHBondContact CA-O 3.35Å; V152-E331 WeakPolarHBondContact CB-O 3.45Å; V152-L332 HydrophobicContact CG1-CD1 4.31Å
153R95.1Very high95.6Very high61 Ų6139 Ų3923%0.2319%0.186CC..EExtended strand (participates in β ladder)trans-125.1137.5177.8-179.1172.169.5-165.78.4110.3V306 M307 E331 V333R153-V306 WeakPolarHBondContact CA-O 3.39Å; R153-M307 HydrophobicContact CB-SD 3.79Å; R153-M307 HydrophobicContact CG-SD 3.83Å; R153-E331 HydrophobicContact CB-CB 4.37Å; R153-E331 IonicContact CZ-OE1 2.72Å; R153-E331 IonicContact CZ-OE2 3.56Å; R153-E331 PolarHBondContact N-O 3.13Å; R153-E331 IonicContact NE-OE1 3.97Å; R153-E331 IonicContact NE-OE2 3.31Å; R153-E331 PolarHBondContact NE-OE2 2.9Å; R153-E331 IonicContact NH2-OE1 3.79Å; R153-E331 PolarHBondContact NH2-OE1 2.91Å; R153-E331 IonicContact NH2-OE2 2.81Å; R153-E331 PolarHBondContact NH2-OE2 2.99Å; R153-E331 PolarHBondContact O-N 3.07Å; R153-V333 HydrophobicContact CB-CG2 3.56Å
154F94.9Very high95.4Very high15 Ų1539.9 Ų39.97%0.06620%0.198CC..EExtended strand (participates in β ladder)trans-152163.6175.551.8-97.7000112V152 L159 L295 V306 C308 V330V152-F154 HydrophobicContact CG2-CD1 4.28Å; V152-F154 HydrophobicContact CG2-CE1 4.26Å; F154-L159 HydrophobicContact CD1-CD2 4.16Å; F154-L159 HydrophobicContact CD2-CB 3.8Å; F154-L159 HydrophobicContact CD2-CD2 3.51Å; F154-L159 HydrophobicContact CD2-CG 4.24Å; F154-L159 HydrophobicContact CE1-CD2 3.89Å; F154-L159 HydrophobicContact CE2-CB 4.27Å; F154-L159 HydrophobicContact CE2-CD2 3.21Å; F154-L159 HydrophobicContact CE2-CG 4.34Å; F154-L159 HydrophobicContact CG-CB 4.29Å; F154-L159 HydrophobicContact CG-CD2 3.99Å; F154-L159 HydrophobicContact CZ-CD2 3.43Å; F154-L159 VanDerWaalsContact CZ-CD2 3.43Å; F154-L295 HydrophobicContact CE1-CD2 4.25Å; F154-L295 HydrophobicContact CZ-CD2 3.98Å; F154-V306 HydrophobicContact CD2-CB 3.86Å; F154-V306 HydrophobicContact CD2-CG2 4.2Å; F154-V306 HydrophobicContact CE1-CG1 4.43Å; F154-V306 HydrophobicContact CE2-CB 3.42Å; F154-V306 VanDerWaalsContact CE2-CB 3.42Å; F154-V306 HydrophobicContact CE2-CG1 3.74Å; F154-V306 HydrophobicContact CE2-CG2 3.73Å; F154-V306 HydrophobicContact CZ-CB 3.81Å; F154-V306 HydrophobicContact CZ-CG1 3.63Å; F154-V306 HydrophobicContact CZ-CG2 4.48Å; F154-V306 PolarHBondContact N-O 2.69Å; F154-V306 VanDerWaalsContact N-O 3.12Å; F154-V306 PolarHBondContact O-N 3.43Å; F154-C308 HydrophobicContact CE1-CB 3.55Å; F154-C308 HydrophobicContact CZ-CB 4.04Å; F154-V330 HydrophobicContact CB-CB 4.03Å; F154-V330 HydrophobicContact CB-CG1 3.6Å; F154-V330 HydrophobicContact CD1-CB 4.29Å; F154-V330 HydrophobicContact CD1-CG1 3.97Å; F154-V330 HydrophobicContact CG-CG1 4.08Å
155N94.2Very high95.1Very high39 Ų3944.7 Ų44.721%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-85.6133.7161.4172.7-88.2000109.1E157 D158 L159 G304N155-E157 PolarHBondContact ND2-OE2 3.18Å; N155-E157 PolarHBondContact O-N 2.81Å; N155-E157 WeakPolarHBondContact OD1-CB 3.25Å; N155-E157 PolarHBondContact OD1-N 3.31Å; N155-E157 PolarHBondContact OD1-OE2 2.8Å; N155-D158 HydrophobicContact CB-CB 4.23Å; N155-D158 PolarHBondContact O-N 2.75Å; N155-D158 PolarHBondContact OD1-N 2.9Å; N155-L159 WeakPolarHBondContact O-CB 3.12Å; N155-L159 PolarHBondContact O-N 3.41Å; N155-G304 CarbonylContact C-O 3.58Å; N155-G304 WeakPolarHBondContact CA-O 3.03Å; N155-G304 PolarHBondContact ND2-O 3.34Å
156A94.1Very high94.6Very high1 Ų145.9 Ų45.91%0.00823%0.225CC..Hα-helixtrans-63.8-39.7-173.700000112.6K160 L302 G304 V306A156-K160 WeakPolarHBondContact O-CB 3.39Å; A156-K160 PolarHBondContact O-N 3.27Å; A156-L302 HydrophobicContact CB-CB 3.78Å; A156-G304 PolarHBondContact N-O 2.83Å; A156-V306 HydrophobicContact CB-CG2 4Å
157E94.3Very high93.7Very high84 Ų8444 Ų4439%0.39322%0.224SC..Hα-helixtrans-67.4-44.6-179.9-62.784.317000111.7N155 K160 L161 K303 G304N155-E157 PolarHBondContact ND2-OE2 3.18Å; N155-E157 PolarHBondContact O-N 2.81Å; N155-E157 WeakPolarHBondContact OD1-CB 3.25Å; N155-E157 PolarHBondContact OD1-N 3.31Å; N155-E157 PolarHBondContact OD1-OE2 2.8Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.32Å; E157-L161 PolarHBondContact O-N 3.42Å; E157-L161 VanDerWaalsContact O-N 3.14Å; E157-K303 WeakPolarHBondContact OE1-CA 3.37Å; E157-G304 PolarHBondContact OE1-N 2.83Å; E157-G304 PolarHBondContact OE2-N 2.96Å
158D95.2Very high92.4Very high108 Ų10848.9 Ų48.958%0.57826%0.257SS*.Hα-helixtrans-63.1-44.6176.1-66.7-24.9000111.4N155 K160 L161 R162N155-D158 HydrophobicContact CB-CB 4.23Å; N155-D158 PolarHBondContact O-N 2.75Å; N155-D158 PolarHBondContact OD1-N 2.9Å; D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.36Å; D158-L161 PolarHBondContact O-N 2.99Å; D158-R162 PolarHBondContact O-N 2.79Å
159L95.5Very high90.9Very high4 Ų453.2 Ų53.22%0.02128%0.283CS..Hα-helixtrans-61.6-40.8176.5179.565.8000111.2F154 N155 L161 R162 L163 L295 L328 V330F154-L159 HydrophobicContact CD1-CD2 4.16Å; F154-L159 HydrophobicContact CD2-CB 3.8Å; F154-L159 HydrophobicContact CD2-CD2 3.51Å; F154-L159 HydrophobicContact CD2-CG 4.24Å; F154-L159 HydrophobicContact CE1-CD2 3.89Å; F154-L159 HydrophobicContact CE2-CB 4.27Å; F154-L159 HydrophobicContact CE2-CD2 3.21Å; F154-L159 HydrophobicContact CE2-CG 4.34Å; F154-L159 HydrophobicContact CG-CB 4.29Å; F154-L159 HydrophobicContact CG-CD2 3.99Å; F154-L159 HydrophobicContact CZ-CD2 3.43Å; F154-L159 VanDerWaalsContact CZ-CD2 3.43Å; N155-L159 WeakPolarHBondContact O-CB 3.12Å; N155-L159 PolarHBondContact O-N 3.41Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.18Å; L159-R162 PolarHBondContact O-N 3.43Å; L159-L163 HydrophobicContact CD1-CD1 4.24Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CD2-CD1 4.23Å; L159-L163 HydrophobicContact CG-CD1 3.82Å; L159-L163 HydrophobicContact CG-CG 4.11Å; L159-L163 WeakPolarHBondContact O-CB 3.23Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 2.77Å; L159-L295 HydrophobicContact CD2-CB 4.45Å; L159-L295 HydrophobicContact CD2-CD1 4.19Å; L159-L295 HydrophobicContact CD2-CD2 4.08Å; L159-L295 HydrophobicContact CD2-CG 4.49Å; L159-L328 HydrophobicContact CD1-CB 4.45Å; L159-L328 HydrophobicContact CD1-CD2 4.43Å; L159-V330 HydrophobicContact CD1-CG1 4.07Å
160K94.5Very high89.6Confident99 Ų9953.6 Ų53.643%0.4329%0.286SS..Hα-helixtrans-61-42.4178.7-177.8-179.7178.6-179.70112A156 E157 D158 S164 A299A156-K160 WeakPolarHBondContact O-CB 3.39Å; A156-K160 PolarHBondContact O-N 3.27Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.32Å; D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.36Å; K160-S164 PolarHBondContact O-N 3.46Å; K160-S164 VanDerWaalsContact O-N 3.16Å; K160-S164 PolarHBondContact O-OG 3.35Å; K160-A299 HydrophobicContact CB-CB 4.43Å
161L93.9Very high87.9Confident113 Ų11358.4 Ų58.459%0.59232%0.315SS*.Hα-helixtrans-61.1-48.5173.6-69.4171.8000110.1E157 D158 L159 L163 S164 E165E157-L161 PolarHBondContact O-N 3.42Å; E157-L161 VanDerWaalsContact O-N 3.14Å; D158-L161 PolarHBondContact O-N 2.99Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.18Å; L161-L163 PolarHBondContact O-N 3.47Å; L161-S164 WeakPolarHBondContact O-CB 3.45Å; L161-S164 PolarHBondContact O-N 3.1Å; L161-E165 PolarHBondContact O-N 2.9Å; L161-E165 VanDerWaalsContact O-N 3.09Å
162R94.4Very high86.1Confident81 Ų8159.8 Ų59.831%0.30632%0.322SS..Hα-helixtrans-60.8-42.1-179.2-173.358-178.6168.60.5113.5D158 L159 S164 E165 L166 T327D158-R162 PolarHBondContact O-N 2.79Å; L159-R162 PolarHBondContact O-N 3.43Å; R162-S164 PolarHBondContact O-N 3.2Å; R162-E165 IonicContact CZ-OE2 2.83Å; R162-E165 IonicContact NH1-OE2 3.38Å; R162-E165 PolarHBondContact NH1-OE2 3.21Å; R162-E165 PolarHBondContact O-N 3.29Å; R162-L166 HydrophobicContact CG-CD1 4.35Å; R162-L166 WeakPolarHBondContact O-CG 3.39Å; R162-L166 PolarHBondContact O-N 3.22Å; R162-L166 VanDerWaalsContact O-N 3.13Å; R162-T327 VanDerWaalsContact CZ-O 3.29Å; R162-T327 PolarHBondContact NE-O 2.85Å; R162-T327 PolarHBondContact NH2-O 3.44Å
163L92.8Very high83.9Confident8 Ų863.3 Ų63.34%0.04235%0.345CS..Hα-helixtrans-65-29.4175.8-71.1171.1000112.6L159 L161 L292 L295 R296 A299 L328L159-L163 HydrophobicContact CD1-CD1 4.24Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CD2-CD1 4.23Å; L159-L163 HydrophobicContact CG-CD1 3.82Å; L159-L163 HydrophobicContact CG-CG 4.11Å; L159-L163 WeakPolarHBondContact O-CB 3.23Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.22Å; L159-L163 PolarHBondContact O-N 2.77Å; L161-L163 PolarHBondContact O-N 3.47Å; L163-L292 HydrophobicContact CD2-CD2 3.8Å; L163-L295 HydrophobicContact CD1-CB 3.97Å; L163-R296 HydrophobicContact CB-CG 4.27Å; L163-R296 HydrophobicContact CD1-CG 4Å; L163-R296 HydrophobicContact CD2-CG 4.3Å; L163-R296 HydrophobicContact CG-CG 4.43Å; L163-A299 HydrophobicContact CD1-CB 4.28Å; L163-L328 HydrophobicContact CD2-CD2 4.04Å
164S91.1Very high81.7Confident89 Ų8966.6 Ų66.662%0.62237%0.372SS*.Hα-helixtrans-73.2-36.9176.3-55.60000111.5K160 L161 R162K160-S164 PolarHBondContact O-N 3.46Å; K160-S164 VanDerWaalsContact O-N 3.16Å; K160-S164 PolarHBondContact O-OG 3.35Å; L161-S164 WeakPolarHBondContact O-CB 3.45Å; L161-S164 PolarHBondContact O-N 3.1Å; R162-S164 PolarHBondContact O-N 3.2Å
165E91.4Very high79.2Confident136 Ų13674.3 Ų74.364%0.63640%0.402SS*.Hα-helixtrans-68.7-37.3176-66.9174.9170.100113.1L161 R162 G167L161-E165 PolarHBondContact O-N 2.9Å; L161-E165 VanDerWaalsContact O-N 3.09Å; R162-E165 IonicContact CZ-OE2 2.83Å; R162-E165 IonicContact NH1-OE2 3.38Å; R162-E165 PolarHBondContact NH1-OE2 3.21Å; R162-E165 PolarHBondContact O-N 3.29Å; E165-G167 PolarHBondContact O-N 3.01Å
166L86.2Confident76.5Confident37 Ų3776.6 Ų76.619%0.19442%0.421CS..THydrogen-bonded Turntrans-66.9-16-179.9-74.3168.2000113.3R162 V170 T327 L328R162-L166 HydrophobicContact CG-CD1 4.35Å; R162-L166 WeakPolarHBondContact O-CG 3.39Å; R162-L166 PolarHBondContact O-N 3.22Å; R162-L166 VanDerWaalsContact O-N 3.13Å; L166-V170 HydrophobicContact CB-CG2 4.02Å; L166-T327 HydrophobicContact CD1-CG2 4.17Å; L166-T327 HydrophobicContact CD2-CG2 3.59Å; L166-L328 HydrophobicContact CD1-CD2 3.51Å
167G77.3Confident74Confident26 Ų2686.6 Ų86.627%0.26847%0.468SS..  trans65.9-172.5-175.100000112.8E165 R296E165-G167 PolarHBondContact O-N 3.01Å; G167-R296 PolarHBondContact O-NH2 3.32Å
168P69.6Low71.4Confident109 Ų10986 Ų8671%0.70848%0.484SS*.SBendtrans-79.8-29.4-175.328.2-31.9000114
169V66.4Low68.4Low91 Ų9186.6 Ų86.655%0.55249%0.492SS*.  trans-106.8113.5-174.6-177.50000109.4
170V69Low65.9Low14 Ų1492.3 Ų92.39%0.08553%0.529CS..  trans-125.8128.9175.1-176.30000108.3L166 L288 H289 L292 F323L166-V170 HydrophobicContact CB-CG2 4.02Å; V170-L288 HydrophobicContact CG1-CD2 4.25Å; V170-H289 PolarHBondContact O-NE2 3.29Å; V170-L292 HydrophobicContact CB-CD1 3.84Å; V170-L292 HydrophobicContact CG1-CD1 4.33Å; V170-L292 HydrophobicContact CG2-CD1 4.02Å; V170-F323 HydrophobicContact CG1-CE2 3.69Å; V170-F323 HydrophobicContact CG1-CZ 4.04Å
171T62.9Low63.4Low103 Ų10397 Ų9763%0.63255%0.552SS**  trans-116.3141.2171.551.70000108.5
172L59.3Low61Low35 Ų3594.8 Ų94.818%0.18356%0.558CS.*  trans-64141.7171.6-72.4165.1000109.8T174 I284 L288 F323L172-T174 PolarHBondContact O-N 3.11Å; L172-I284 HydrophobicContact CD1-CB 4.36Å; L172-I284 HydrophobicContact CD1-CD1 4.23Å; L172-I284 HydrophobicContact CD1-CG1 3.31Å; L172-I284 HydrophobicContact CD1-CG2 4.23Å; L172-L288 HydrophobicContact CD1-CD2 4.38Å; L172-L288 HydrophobicContact CD2-CD2 3.97Å; L172-L288 HydrophobicContact CG-CD2 3.7Å; L172-F323 HydrophobicContact CD2-CB 3.73Å; L172-F323 HydrophobicContact CD2-CD2 3.59Å; L172-F323 HydrophobicContact CD2-CG 3.91Å
173P50.6Low58.4Low77 Ų7795.5 Ų95.550%0.558%0.575SS.*  trans-61.9111.9166.316.9-17.1000108.3Y175P173-Y175 HydrophobicContact CB-CE2 4.2Å; P173-Y175 HydrophobicContact CG-CE2 4.1Å; P173-Y175 WeakPolarHBondContact O-CD2 3.26Å; P173-Y175 PolarHBondContact O-N 2.66Å
174T47.7Very low56.1Low130 Ų130103.3 Ų103.380%0.79862%0.617SS**  trans-67.999.8173.836.80000109.3L172 S176L172-T174 PolarHBondContact O-N 3.11Å; T174-S176 PolarHBondContact O-N 3.15Å
175Y42.3Very low53.9Low177 Ų177103.5 Ų103.569%0.69461%0.614SS**  trans-79.174.6164.8-67.1-80.3000109.2P173P173-Y175 HydrophobicContact CB-CE2 4.2Å; P173-Y175 HydrophobicContact CG-CE2 4.1Å; P173-Y175 WeakPolarHBondContact O-CD2 3.26Å; P173-Y175 PolarHBondContact O-N 2.66Å
176S38.6Very low52.2Low87 Ų87101.9 Ų101.961%0.60862%0.616SS**  trans-141.498.1168.8-61.10000108.5T174 G178T174-S176 PolarHBondContact O-N 3.15Å; S176-G178 PolarHBondContact O-N 2.76Å; S176-G178 VanDerWaalsContact O-N 3.1Å
177E41.4Very low51Low210 Ų210103.1 Ų103.198%0.98162%0.622SS**THydrogen-bonded Turntrans-60.3108.9162.3-70.3-175.5164.500107.8
178G39.2Very low50.7Low71 Ų71106.9 Ų106.973%0.73264%0.64SS**THydrogen-bonded Turntrans131.12.715800000120S176S176-G178 PolarHBondContact O-N 2.76Å; S176-G178 VanDerWaalsContact O-N 3.1Å
179T32.7Very low51.4Low121 Ų121106.2 Ų106.274%0.74264%0.635SS**  trans-142.8110.2173.219.60000112.6Q181T179-Q181 PolarHBondContact O-N 3.47Å
180P41.9Very low52.6Low125 Ų125102.9 Ų102.981%0.81262%0.616SS**  trans-85.899169.631.6-25.7000108.9
181Q43.5Very low53.9Low196 Ų196103.6 Ų103.692%0.91662%0.62SS**  trans-163.664160-111.517128.600110T179T179-Q181 PolarHBondContact O-N 3.47Å
182G41.6Very low55.5Low68 Ų68101.8 Ų101.870%0.70161%0.606SS**  trans-94.9111.4153.300000106.5D184G182-D184 PolarHBondContact O-N 2.91Å
183S40.7Very low57.3Low95 Ų95100.7 Ų100.766%0.66460%0.6SS**  trans-58.7121.4169.651.80000108.5T185S183-T185 VanDerWaalsContact CB-OG1 3.26Å; S183-T185 WeakPolarHBondContact CB-OG1 3.18Å; S183-T185 PolarHBondContact O-N 2.92Å; S183-T185 PolarHBondContact OG-OG1 2.82Å
184D44Very low59.5Low172 Ų172101 Ų10192%0.9260%0.598SS**  trans-64.233.3169.4-80.8-31.1000112.4G182 P186G182-D184 PolarHBondContact O-N 2.91Å; D184-P186 WeakPolarHBondContact O-CD 3.46Å
185T46.1Very low61.8Low94 Ų9499.3 Ų99.358%0.57758%0.583SS**PPolyproline II helixtrans-73.7121.6172.4-5.40000107.5S183 L187S183-T185 VanDerWaalsContact CB-OG1 3.26Å; S183-T185 WeakPolarHBondContact CB-OG1 3.18Å; S183-T185 PolarHBondContact O-N 2.92Å; S183-T185 PolarHBondContact OG-OG1 2.82Å; T185-L187 PolarHBondContact O-N 2.76Å
186P54.3Low64.3Low102 Ų10295.8 Ų95.866%0.66258%0.576SS**PPolyproline II helixtrans-56.2117.4172.6-19.330.2000108.4D184 V188D184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-V188 PolarHBondContact O-N 3.32Å
187L61.3Low67Low62 Ų6294.5 Ų94.533%0.32556%0.561SS.*PPolyproline II helixtrans-60.1121.8174.1-76162.2000108.1T185 L286 H289T185-L187 PolarHBondContact O-N 2.76Å; L187-L286 HydrophobicContact CD2-CD2 3.74Å; L187-H289 WeakPolarHBondContact CB-CE1 3.35Å; L187-H289 VanDerWaalsContact CD1-NE2 3.34Å; L187-H289 WeakPolarHBondContact CD1-NE2 3.39Å
188V71.8Confident69.6Low106 Ų10684.5 Ų84.564%0.64251%0.514SS*.PPolyproline II helixtrans-68137179.2-179.20000108.2P186P186-V188 PolarHBondContact O-N 3.32Å
189P83.4Confident72.3Confident95 Ų9583.5 Ų83.562%0.61749%0.49SS*.PPolyproline II helixtrans-55.9143.1177.1-25.434.1000111.8
190P93.1Very high75.2Confident21 Ų2181.8 Ų81.814%0.13647%0.474CS..PPolyproline II helixtrans-52.5143.8173-28.335.8000112.3M242 V243 H289P190-M242 HydrophobicContact CB-CB 4.39Å; P190-M242 HydrophobicContact CB-SD 4.17Å; P190-V243 CarbonylContact C-O 3.59Å; P190-V243 WeakPolarHBondContact CA-O 3.34Å; P190-H289 HydrophobicContact CG-CB 4.17Å
191V95.7Very high77.7Confident28 Ų2876.6 Ų76.617%0.1744%0.439CS..EExtended strand (participates in β ladder)trans-90.2116.9179.2-178.90000109.2L193 M242 V243 R246V191-L193 HydrophobicContact CG1-CD2 4.09Å; V191-M242 VanDerWaalsContact O-CA 3.25Å; V191-M242 WeakPolarHBondContact O-CA 3.33Å; V191-V243 HydrophobicContact CB-CG2 4.1Å; V191-V243 PolarHBondContact N-O 3.42Å; V191-V243 PolarHBondContact O-N 3.01Å; V191-R246 HydrophobicContact CB-CG 4.31Å; V191-R246 HydrophobicContact CG1-CG 3.64Å; V191-R246 HydrophobicContact CG2-CG 4.19Å
192L97.1Very high80.1Confident65 Ų6567.7 Ų67.734%0.3440%0.397SS..EExtended strand (participates in β ladder)trans-74.6123.5166.6-174.969.1000109.4D240 M242 R246L192-D240 HydrophobicContact CD1-CB 4.02Å; L192-M242 HydrophobicContact CD1-CE 3.98Å; L192-M242 HydrophobicContact CD1-CG 3.97Å; L192-R246 PolarHBondContact O-NH2 2.87Å
193L97.3Very high82.4Confident12 Ų1266.2 Ų66.26%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-90.2143.5178-57-179000110.4V191 E197 A198 M201 W241 V243V191-L193 HydrophobicContact CG1-CD2 4.09Å; L193-E197 WeakPolarHBondContact CA-OE2 3.11Å; L193-E197 HydrophobicContact CB-CB 4.07Å; L193-E197 HydrophobicContact CD2-CB 4.19Å; L193-A198 HydrophobicContact CB-CB 4.38Å; L193-A198 HydrophobicContact CD1-CB 4.49Å; L193-M201 HydrophobicContact CD1-CE 4.14Å; L193-M201 HydrophobicContact CD1-SD 3.74Å; L193-M201 HydrophobicContact CD2-CE 4.23Å; L193-W241 HydrophobicContact CB-CB 4.12Å; L193-W241 PolarHBondContact N-O 3.42Å; L193-V243 HydrophobicContact CD1-CG1 4.08Å; L193-V243 HydrophobicContact CD1-CG2 4.22Å; L193-V243 HydrophobicContact CD2-CG2 3.89Å; L193-V243 HydrophobicContact CG-CG2 4.19Å
194D96.7Very high84.2Confident84 Ų8466.2 Ų66.245%0.44937%0.365SS..PPolyproline II helixtrans-76.7171.8161.574.845.8000111.6N196 E197 A198D194-N196 VanDerWaalsContact C-N 3.29Å; D194-N196 PolarHBondContact O-N 2.86Å; D194-N196 WeakPolarHBondContact OD1-CA 3.29Å; D194-N196 WeakPolarHBondContact OD1-CB 3.48Å; D194-N196 PolarHBondContact OD1-N 3.35Å; D194-E197 PolarHBondContact N-OE2 2.92Å; D194-E197 PolarHBondContact O-N 2.81Å; D194-E197 WeakPolarHBondContact OD1-CG 3.44Å; D194-E197 PolarHBondContact OD1-N 2.89Å; D194-A198 WeakPolarHBondContact O-CB 3.16Å; D194-A198 PolarHBondContact O-N 2.75Å
195L95.4Very high85.7Confident95 Ų9560.4 Ų60.450%0.49734%0.338SS..Hα-helixtrans-63.1-33.1-176.9-63.6179.8000113.3H199 L235L195-H199 VanDerWaalsContact O-CB 3.29Å; L195-H199 WeakPolarHBondContact O-CB 3.21Å; L195-H199 PolarHBondContact O-N 2.85Å; L195-L235 HydrophobicContact CB-CD2 4.22Å; L195-L235 HydrophobicContact CD2-CD2 3.88Å
196N95.1Very high87.4Confident102 Ų10258.3 Ų58.355%0.54534%0.336SS..Hα-helixtrans-74.7-41.2178.3176.968.2000110.6D194 H199 Q200D194-N196 VanDerWaalsContact C-N 3.29Å; D194-N196 PolarHBondContact O-N 2.86Å; D194-N196 WeakPolarHBondContact OD1-CA 3.29Å; D194-N196 WeakPolarHBondContact OD1-CB 3.48Å; D194-N196 PolarHBondContact OD1-N 3.35Å; N196-H199 WeakPolarHBondContact O-CB 3.42Å; N196-H199 PolarHBondContact O-N 3.03Å; N196-Q200 WeakPolarHBondContact O-CG 3.46Å; N196-Q200 PolarHBondContact O-N 2.91Å
197E95.8Very high88.9Confident61 Ų6156.3 Ų56.329%0.28532%0.319SS..Hα-helixtrans-61.4-47.4174-66.4179.2138.700111.4L193 D194 H199 Q200 M201 R246L193-E197 WeakPolarHBondContact CA-OE2 3.11Å; L193-E197 HydrophobicContact CB-CB 4.07Å; L193-E197 HydrophobicContact CD2-CB 4.19Å; D194-E197 PolarHBondContact N-OE2 2.92Å; D194-E197 PolarHBondContact O-N 2.81Å; D194-E197 WeakPolarHBondContact OD1-CG 3.44Å; D194-E197 PolarHBondContact OD1-N 2.89Å; E197-H199 VanDerWaalsContact C-N 3.34Å; E197-H199 PolarHBondContact O-N 2.83Å; E197-Q200 PolarHBondContact O-N 2.91Å; E197-M201 VanDerWaalsContact O-CB 3.23Å; E197-M201 WeakPolarHBondContact O-CB 3.29Å; E197-M201 PolarHBondContact O-N 2.92Å; E197-R246 IonicContact OE1-CZ 3.14Å; E197-R246 IonicContact OE1-NH1 3.82Å; E197-R246 PolarHBondContact OE1-NH1 3.24Å; E197-R246 IonicContact OE2-CZ 2.68Å; E197-R246 IonicContact OE2-NH1 2.93Å; E197-R246 PolarHBondContact OE2-NH1 2.89Å; E197-R246 IonicContact OE2-NH2 3.33Å
198A96Very high90.4Very high0 Ų053.6 Ų53.60%031%0.305CS..Hα-helixtrans-58.6-45.6174.800000111.4L193 D194 M201 F202 L235 W241L193-A198 HydrophobicContact CB-CB 4.38Å; L193-A198 HydrophobicContact CD1-CB 4.49Å; D194-A198 WeakPolarHBondContact O-CB 3.16Å; D194-A198 PolarHBondContact O-N 2.75Å; A198-M201 PolarHBondContact O-N 2.79Å; A198-F202 WeakPolarHBondContact O-CB 3.32Å; A198-F202 WeakPolarHBondContact O-CD2 3.36Å; A198-F202 PolarHBondContact O-N 2.96Å; A198-L235 HydrophobicContact CB-CD2 4.32Å; A198-W241 HydrophobicContact CB-CB 4.12Å; A198-W241 HydrophobicContact CB-CD2 3.78Å; A198-W241 HydrophobicContact CB-CE3 4.04Å; A198-W241 HydrophobicContact CB-CG 3.81Å
199H95.3Very high91.1Very high49 Ų4952.2 Ų52.223%0.22730%0.3CS..Hα-helixtrans-57.5-52.2175.7-177.9-98.1000112.2L195 N196 E197 M201 L203 L235L195-H199 VanDerWaalsContact O-CB 3.29Å; L195-H199 WeakPolarHBondContact O-CB 3.21Å; L195-H199 PolarHBondContact O-N 2.85Å; N196-H199 WeakPolarHBondContact O-CB 3.42Å; N196-H199 PolarHBondContact O-N 3.03Å; E197-H199 VanDerWaalsContact C-N 3.34Å; E197-H199 PolarHBondContact O-N 2.83Å; H199-M201 PolarHBondContact O-N 2.89Å; H199-L203 WeakPolarHBondContact NE2-CD2 3.39Å; H199-L203 WeakPolarHBondContact O-CB 3.07Å; H199-L203 PolarHBondContact O-N 3.22Å; H199-L203 VanDerWaalsContact O-N 3.09Å; H199-L235 HydrophobicContact CB-CD1 3.85Å
200Q93.3Very high91.3Very high86 Ų8655.1 Ų55.140%0.40231%0.31SS..Hα-helixtrans-63.7-42.5-179.1-67.5-58.4-31.100112.2N196 E197 N204 S205N196-Q200 WeakPolarHBondContact O-CG 3.46Å; N196-Q200 PolarHBondContact O-N 2.91Å; E197-Q200 PolarHBondContact O-N 2.91Å; Q200-N204 WeakPolarHBondContact O-CB 3.25Å; Q200-N204 PolarHBondContact O-N 3.18Å; Q200-N204 PolarHBondContact OE1-ND2 3.24Å; Q200-S205 PolarHBondContact O-N 3.15Å; Q200-S205 VanDerWaalsContact O-N 3.13Å
201M93.9Very high91.4Very high15 Ų1554.6 Ų54.67%0.07431%0.306CS..Hα-helixtrans-67.4-48.5-176.4-174.6172.7-6900112.1L193 E197 A198 H199 S205 M208 V243 R246 P249L193-M201 HydrophobicContact CD1-CE 4.14Å; L193-M201 HydrophobicContact CD1-SD 3.74Å; L193-M201 HydrophobicContact CD2-CE 4.23Å; E197-M201 VanDerWaalsContact O-CB 3.23Å; E197-M201 WeakPolarHBondContact O-CB 3.29Å; E197-M201 PolarHBondContact O-N 2.92Å; A198-M201 PolarHBondContact O-N 2.79Å; H199-M201 PolarHBondContact O-N 2.89Å; M201-S205 PolarHBondContact O-OG 3.13Å; M201-M208 HydrophobicContact CG-CE 3.98Å; M201-M208 HydrophobicContact CG-CG 4.29Å; M201-M208 HydrophobicContact SD-CE 3.92Å; M201-V243 HydrophobicContact CE-CG2 4.18Å; M201-V243 HydrophobicContact SD-CB 4.4Å; M201-V243 HydrophobicContact SD-CG1 3.58Å; M201-V243 VanDerWaalsContact SD-CG1 3.58Å; M201-V243 HydrophobicContact SD-CG2 4.2Å; M201-R246 WeakPolarHBondContact CE-O 3.47Å; M201-P249 HydrophobicContact SD-CG 4.22Å
202F93.9Very high91.4Very high9 Ų953.6 Ų53.64%0.03930%0.3CS..Hα-helixtrans-77.8-28-176.1-78.1-104.3000113.2A198 M208 L212 I217 P226 M231 W241 A252 L254A198-F202 WeakPolarHBondContact O-CB 3.32Å; A198-F202 WeakPolarHBondContact O-CD2 3.36Å; A198-F202 PolarHBondContact O-N 2.96Å; F202-M208 HydrophobicContact CD1-CG 3.92Å; F202-M208 HydrophobicContact CD1-SD 4.29Å; F202-M208 HydrophobicContact CD2-CG 4.27Å; F202-M208 HydrophobicContact CE1-CG 4.16Å; F202-M208 HydrophobicContact CE1-SD 3.91Å; F202-M208 HydrophobicContact CE2-CG 4.47Å; F202-M208 HydrophobicContact CE2-SD 4.14Å; F202-M208 HydrophobicContact CG-CG 3.99Å; F202-M208 HydrophobicContact CZ-CG 4.43Å; F202-M208 HydrophobicContact CZ-SD 3.82Å; F202-L212 HydrophobicContact CD1-CD1 4.2Å; F202-L212 HydrophobicContact CE1-CD1 4.47Å; F202-L212 HydrophobicContact CE1-CD2 4.21Å; F202-I217 HydrophobicContact CB-CD1 4.41Å; F202-I217 HydrophobicContact CD1-CD1 3.69Å; F202-I217 HydrophobicContact CD1-CG1 4.04Å; F202-I217 HydrophobicContact CE1-CD1 4.49Å; F202-I217 HydrophobicContact CE1-CG1 4.48Å; F202-I217 HydrophobicContact CG-CD1 4.47Å; F202-P226 VanDerWaalsContact O-CB 3.25Å; F202-P226 WeakPolarHBondContact O-CB 3.14Å; F202-M231 HydrophobicContact CB-CE 3.88Å; F202-M231 HydrophobicContact CB-SD 4.1Å; F202-W241 HydrophobicContact CD1-CZ3 4.12Å; F202-W241 HydrophobicContact CD2-CE3 4.05Å; F202-W241 HydrophobicContact CD2-CZ3 4.01Å; F202-W241 HydrophobicContact CE1-CE3 4.42Å; F202-W241 HydrophobicContact CE1-CZ3 4.02Å; F202-W241 AromaticContact CE2-CE3 3.65Å; F202-W241 HydrophobicContact CE2-CE3 3.65Å; F202-W241 AromaticContact CE2-CZ3 3.92Å; F202-W241 HydrophobicContact CE2-CZ3 3.92Å; F202-W241 HydrophobicContact CG-CZ3 4.11Å; F202-W241 AromaticContact CZ-CE3 3.86Å; F202-W241 HydrophobicContact CZ-CE3 3.86Å; F202-W241 AromaticContact CZ-CZ3 3.92Å; F202-W241 HydrophobicContact CZ-CZ3 3.92Å; F202-A252 HydrophobicContact CZ-CB 4.14Å; F202-L254 HydrophobicContact CE1-CD1 4.25Å; F202-L254 HydrophobicContact CZ-CD1 4Å
203L90.4Very high91.2Very high37 Ų3752.4 Ų52.419%0.19430%0.296CS..Hα-helixtrans-98-45.5-176.4-171.362000114.2H199 P226 V227 P228 M231H199-L203 WeakPolarHBondContact NE2-CD2 3.39Å; H199-L203 WeakPolarHBondContact O-CB 3.07Å; H199-L203 PolarHBondContact O-N 3.22Å; H199-L203 VanDerWaalsContact O-N 3.09Å; L203-P226 WeakPolarHBondContact CD1-O 3.25Å; L203-V227 VanDerWaalsContact CD1-C 3.43Å; L203-P228 HydrophobicContact CD1-CG 4.04Å; L203-P228 HydrophobicContact CD2-CB 4.18Å; L203-P228 HydrophobicContact CD2-CG 4.04Å; L203-M231 HydrophobicContact CB-CG 4.28Å; L203-M231 HydrophobicContact CD1-CG 4.34Å
204N78.6Confident91.1Very high95 Ų9557.5 Ų57.551%0.50832%0.324SS..THydrogen-bonded Turntrans-112.7-20.3-159.6-63.9-31.5000114.3Q200Q200-N204 WeakPolarHBondContact O-CB 3.25Å; Q200-N204 PolarHBondContact O-N 3.18Å; Q200-N204 PolarHBondContact OE1-ND2 3.24Å
205S74.6Confident90.9Very high50 Ų5055.9 Ų55.935%0.3532%0.322SS..SBendtrans-84.8-20.7-167.9770000114.3Q200 M201 L207Q200-S205 PolarHBondContact O-N 3.15Å; Q200-S205 VanDerWaalsContact O-N 3.13Å; M201-S205 PolarHBondContact O-OG 3.13Å; S205-L207 PolarHBondContact O-N 2.72Å; S205-L207 VanDerWaalsContact O-N 3.08Å; S205-L207 WeakPolarHBondContact OG-CB 3.38Å; S205-L207 VanDerWaalsContact OG-CG 3.23Å; S205-L207 WeakPolarHBondContact OG-CG 3.45Å; S205-L207 PolarHBondContact OG-N 2.96Å
206G81.6Confident91Very high51 Ų5151.6 Ų51.653%0.52630%0.3SS..SBendtrans67.7-7.9-167.500000114.3M208 S209G206-M208 PolarHBondContact O-N 3.1Å; G206-S209 VanDerWaalsContact O-CB 3.29Å; G206-S209 WeakPolarHBondContact O-CB 3.47Å; G206-S209 PolarHBondContact O-N 3.26Å; G206-S209 PolarHBondContact O-OG 3.41Å; G206-S209 VanDerWaalsContact O-OG 3.07Å
207L87.2Confident91.1Very high59 Ų5946.7 Ų46.731%0.30927%0.274SS..G310 helixtrans-62.5-31.1-175.4-61.8173.1000112.6S205 S209 Y247 P249S205-L207 PolarHBondContact O-N 2.72Å; S205-L207 VanDerWaalsContact O-N 3.08Å; S205-L207 WeakPolarHBondContact OG-CB 3.38Å; S205-L207 VanDerWaalsContact OG-CG 3.23Å; S205-L207 WeakPolarHBondContact OG-CG 3.45Å; S205-L207 PolarHBondContact OG-N 2.96Å; L207-S209 VanDerWaalsContact C-N 3.25Å; L207-S209 PolarHBondContact O-N 3.27Å; L207-Y247 WeakPolarHBondContact CD1-O 3.13Å; L207-Y247 VanDerWaalsContact CD2-O 3.26Å; L207-Y247 WeakPolarHBondContact CD2-O 3.45Å; L207-P249 HydrophobicContact CB-CG 3.82Å; L207-P249 HydrophobicContact CD1-CG 4.44Å
208M91.5Very high91.2Very high6 Ų643.8 Ų43.83%0.0326%0.26CS..G310 helixtrans-75.6-7.3178.6-70.8-60.9100.400114.1M201 F202 G206 N210 V211 L212 P249 A252M201-M208 HydrophobicContact CG-CE 3.98Å; M201-M208 HydrophobicContact CG-CG 4.29Å; M201-M208 HydrophobicContact SD-CE 3.92Å; F202-M208 HydrophobicContact CD1-CG 3.92Å; F202-M208 HydrophobicContact CD1-SD 4.29Å; F202-M208 HydrophobicContact CD2-CG 4.27Å; F202-M208 HydrophobicContact CE1-CG 4.16Å; F202-M208 HydrophobicContact CE1-SD 3.91Å; F202-M208 HydrophobicContact CE2-CG 4.47Å; F202-M208 HydrophobicContact CE2-SD 4.14Å; F202-M208 HydrophobicContact CG-CG 3.99Å; F202-M208 HydrophobicContact CZ-CG 4.43Å; F202-M208 HydrophobicContact CZ-SD 3.82Å; G206-M208 PolarHBondContact O-N 3.1Å; M208-N210 PolarHBondContact O-N 2.71Å; M208-V211 HydrophobicContact CE-CB 4.36Å; M208-V211 HydrophobicContact CE-CG2 4.05Å; M208-V211 PolarHBondContact O-N 3.18Å; M208-V211 VanDerWaalsContact O-N 3.1Å; M208-V211 HydrophobicContact SD-CB 4.16Å; M208-V211 HydrophobicContact SD-CG1 4.31Å; M208-L212 HydrophobicContact CB-CD1 3.84Å; M208-L212 HydrophobicContact CB-CG 4.03Å; M208-L212 HydrophobicContact CG-CD1 4.5Å; M208-L212 PolarHBondContact O-N 3.13Å; M208-P249 HydrophobicContact CE-CB 3.53Å; M208-P249 HydrophobicContact CE-CG 3.12Å; M208-A252 HydrophobicContact SD-CB 4.09Å
209S86.6Confident91.2Very high77 Ų7743.9 Ų43.954%0.53826%0.26SS..G310 helixtrans-61.3-31.5-175.571.10000113.4G206 L207G206-S209 VanDerWaalsContact O-CB 3.29Å; G206-S209 WeakPolarHBondContact O-CB 3.47Å; G206-S209 PolarHBondContact O-N 3.26Å; G206-S209 PolarHBondContact O-OG 3.41Å; G206-S209 VanDerWaalsContact O-OG 3.07Å; L207-S209 VanDerWaalsContact C-N 3.25Å; L207-S209 PolarHBondContact O-N 3.27Å
210N87.9Confident91.1Very high155 Ų15542.5 Ų42.583%0.82926%0.255SS*.G310 helixtrans-96.1-8.2-179.4-62.8-27.5000112.9M208M208-N210 PolarHBondContact O-N 2.71Å
211V95.2Very high91.2Very high10 Ų1040.9 Ų40.96%0.06125%0.245CC..THydrogen-bonded Turntrans-98.4-46.3-178.8-177.80000110.3M208 P249 A252 F280M208-V211 HydrophobicContact CE-CB 4.36Å; M208-V211 HydrophobicContact CE-CG2 4.05Å; M208-V211 PolarHBondContact O-N 3.18Å; M208-V211 VanDerWaalsContact O-N 3.1Å; M208-V211 HydrophobicContact SD-CB 4.16Å; M208-V211 HydrophobicContact SD-CG1 4.31Å; V211-P249 VanDerWaalsContact CG2-O 3.29Å; V211-P249 WeakPolarHBondContact CG2-O 3.24Å; V211-A252 HydrophobicContact CG1-CB 3.88Å; V211-F280 HydrophobicContact CG1-CB 3.68Å
212L95.6Very high91.4Very high7 Ų741 Ų414%0.03725%0.245CC..SBendtrans-80.1123.1-178-64177.7000111.4F202 M208 N214 A215 I217 F280F202-L212 HydrophobicContact CD1-CD1 4.2Å; F202-L212 HydrophobicContact CE1-CD1 4.47Å; F202-L212 HydrophobicContact CE1-CD2 4.21Å; M208-L212 HydrophobicContact CB-CD1 3.84Å; M208-L212 HydrophobicContact CB-CG 4.03Å; M208-L212 HydrophobicContact CG-CD1 4.5Å; M208-L212 PolarHBondContact O-N 3.13Å; L212-N214 PolarHBondContact O-N 3.49Å; L212-A215 PolarHBondContact O-N 3.39Å; L212-I217 HydrophobicContact CD1-CD1 4.4Å; L212-I217 HydrophobicContact CD1-CG1 3.58Å; L212-I217 HydrophobicContact CD2-CG1 4.22Å; L212-F280 HydrophobicContact CD2-CB 4.37Å; L212-F280 HydrophobicContact CD2-CD1 3.96Å; L212-F280 HydrophobicContact CD2-CD2 3.76Å; L212-F280 HydrophobicContact CD2-CE1 4.13Å; L212-F280 HydrophobicContact CD2-CE2 3.93Å; L212-F280 HydrophobicContact CD2-CG 3.76Å; L212-F280 HydrophobicContact CD2-CZ 4.11Å
213P93.6Very high91.5Very high40 Ų4040.5 Ų40.526%0.2624%0.243SC..G310 helixtrans-67.8122.6178.729.9-34.7000109.7T145 A215 T216 F280T145-P213 HydrophobicContact CG2-CG 4.38Å; T145-P213 WeakPolarHBondContact OG1-CB 3.26Å; P213-A215 PolarHBondContact O-N 3.33Å; P213-T216 WeakPolarHBondContact O-CB 3.41Å; P213-T216 PolarHBondContact O-N 2.9Å; P213-T216 VanDerWaalsContact O-N 3.15Å; P213-F280 HydrophobicContact CG-CD1 4.31Å
214N94.2Very high91.9Very high119 Ų11938.8 Ų38.864%0.63623%0.234SC*.G310 helixtrans50.740.7-176.8-65.8-42.7000113.3I144 L212 T216I144-N214 HydrophobicContact CG2-CB 4.31Å; I144-N214 PolarHBondContact O-ND2 2.84Å; L212-N214 PolarHBondContact O-N 3.49Å; N214-T216 PolarHBondContact O-N 3.08Å; N214-T216 VanDerWaalsContact O-N 3.11Å; N214-T216 PolarHBondContact O-OG1 3.28Å
215A94.1Very high92.7Very high50 Ų5037.9 Ų37.941%0.41323%0.226SC..G310 helixtrans48.740.8-179.800000112.6L212 P213 P226L212-A215 PolarHBondContact O-N 3.39Å; P213-A215 PolarHBondContact O-N 3.33Å; A215-P226 WeakPolarHBondContact O-CD 3.38Å
216T96.4Very high93.7Very high5 Ų537.2 Ų37.23%0.03122%0.22CC..  trans-118.9124.2-178.2-58.40000109.7I144 P213 N214 V218 P223I144-T216 WeakPolarHBondContact CG2-OG1 3.39Å; P213-T216 WeakPolarHBondContact O-CB 3.41Å; P213-T216 PolarHBondContact O-N 2.9Å; P213-T216 VanDerWaalsContact O-N 3.15Å; N214-T216 PolarHBondContact O-N 3.08Å; N214-T216 VanDerWaalsContact O-N 3.11Å; N214-T216 PolarHBondContact O-OG1 3.28Å; T216-V218 HydrophobicContact CG2-CG2 3.9Å; T216-P223 HydrophobicContact CG2-CB 3.93Å
217I97.7Very high94.4Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-90.5104.8168.9-54.2169000106.4F202 L212 F224 P226 M231 L234 L254F202-I217 HydrophobicContact CB-CD1 4.41Å; F202-I217 HydrophobicContact CD1-CD1 3.69Å; F202-I217 HydrophobicContact CD1-CG1 4.04Å; F202-I217 HydrophobicContact CE1-CD1 4.49Å; F202-I217 HydrophobicContact CE1-CG1 4.48Å; F202-I217 HydrophobicContact CG-CD1 4.47Å; L212-I217 HydrophobicContact CD1-CD1 4.4Å; L212-I217 HydrophobicContact CD1-CG1 3.58Å; L212-I217 HydrophobicContact CD2-CG1 4.22Å; I217-F224 HydrophobicContact CB-CB 4.48Å; I217-F224 PolarHBondContact N-O 3.43Å; I217-F224 PolarHBondContact O-N 3.21Å; I217-P226 HydrophobicContact CD1-CB 4.11Å; I217-M231 HydrophobicContact CD1-SD 4.02Å; I217-L234 HydrophobicContact CD1-CD1 3.97Å; I217-L234 HydrophobicContact CG2-CD1 4.14Å; I217-L254 HydrophobicContact CG2-CD2 3.68Å
218V97.6Very high94.8Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-91.4119.3168-169.50000108.1T145 T216 Q222 P223 D278 F280 V341T145-V218 HydrophobicContact CG2-CG2 4.4Å; T216-V218 HydrophobicContact CG2-CG2 3.9Å; V218-Q222 WeakPolarHBondContact CA-O 3.47Å; V218-P223 HydrophobicContact CG2-CB 4.32Å; V218-D278 VanDerWaalsContact O-CB 3.3Å; V218-D278 WeakPolarHBondContact O-CB 3.43Å; V218-D278 VanDerWaalsContact O-CG 3.29Å; V218-F280 WeakPolarHBondContact O-CZ 3.4Å; V218-V341 HydrophobicContact CG2-CG2 3.68Å
219Q96.5Very high95Very high1 Ų138.4 Ų38.41%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-131.5119.9177.6-174.5-83.7-34.300109.6W221 Q222 L234 K237 I239 L254 T256 D278Q219-W221 VanDerWaalsContact C-N 3.32Å; Q219-W221 PolarHBondContact O-N 3.28Å; Q219-Q222 PolarHBondContact N-O 3.38Å; Q219-Q222 WeakPolarHBondContact O-CB 3.41Å; Q219-Q222 PolarHBondContact O-N 2.7Å; Q219-L234 HydrophobicContact CB-CD2 3.96Å; Q219-L234 HydrophobicContact CG-CD2 4.31Å; Q219-K237 VanDerWaalsContact OE1-CD 3.22Å; Q219-I239 HydrophobicContact CG-CD1 3.71Å; Q219-I239 HydrophobicContact CG-CG1 4.46Å; Q219-L254 HydrophobicContact CB-CD2 4.08Å; Q219-L254 HydrophobicContact CG-CB 4.39Å; Q219-L254 HydrophobicContact CG-CD2 4.05Å; Q219-T256 PolarHBondContact NE2-OG1 2.91Å; Q219-D278 WeakPolarHBondContact CA-OD2 3.28Å
220D94Very high95.5Very high21 Ų2134.7 Ų34.711%0.11220%0.197CC..THydrogen-bonded Turntrans46.555.6-179.4-165.920.7000111.7R51 Q222 D278R51-D220 IonicContact CZ-OD2 3.25Å; R51-D220 IonicContact NH2-OD2 2.94Å; R51-D220 PolarHBondContact NH2-OD2 3.5Å; D220-Q222 PolarHBondContact O-N 3.39Å; D220-D278 PolarHBondContact N-OD2 3.35Å
221W95.3Very high95.9Very high51 Ų5127.3 Ų27.319%0.19316%0.158CC..THydrogen-bonded Turntrans67.81.9-176.2-59.181.5000116.6T128 D130 I149 Q219 P223 F311 Q339T128-W221 WeakPolarHBondContact CG2-O 3.34Å; T128-W221 PolarHBondContact OG1-O 3.22Å; D130-W221 HydrophobicContact CB-CH2 3.66Å; D130-W221 HydrophobicContact CB-CZ3 3.9Å; I149-W221 HydrophobicContact CD1-CH2 3.66Å; I149-W221 HydrophobicContact CD1-CZ2 4.26Å; Q219-W221 VanDerWaalsContact C-N 3.32Å; Q219-W221 PolarHBondContact O-N 3.28Å; W221-P223 WeakPolarHBondContact O-CD 3.3Å; W221-F311 HydrophobicContact CD2-CZ 4.13Å; W221-F311 AromaticContact CE2-CZ 3.46Å; W221-F311 VanDerWaalsContact CE2-CZ 3.46Å; W221-F311 HydrophobicContact CH2-CE1 4.18Å; W221-F311 HydrophobicContact CH2-CZ 4.3Å; W221-F311 AromaticContact CZ2-CE1 3.88Å; W221-F311 HydrophobicContact CZ2-CE1 3.88Å; W221-F311 AromaticContact CZ2-CZ 3.57Å; W221-F311 HydrophobicContact CZ2-CZ 3.57Å; W221-F311 AromaticContact NE1-CZ 3.49Å; W221-Q339 VanDerWaalsContact CD2-NE2 3.26Å; W221-Q339 HydrophobicContact CE3-CG 3.95Å; W221-Q339 HydrophobicContact CH2-CG 4.45Å; W221-Q339 HydrophobicContact CZ3-CB 4.31Å; W221-Q339 HydrophobicContact CZ3-CG 3.75Å
222Q96.8Very high95.8Very high17 Ų1730.8 Ų30.88%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-105.2115.2-178.2-62178.3-59.500111.2L88 E90 V218 Q219 D220 F224L88-Q222 HydrophobicContact CD2-CB 4.02Å; L88-Q222 HydrophobicContact CD2-CG 4.11Å; E90-Q222 VanDerWaalsContact CD-NE2 3.26Å; E90-Q222 PolarHBondContact OE1-NE2 2.9Å; E90-Q222 PolarHBondContact OE2-NE2 3.01Å; V218-Q222 WeakPolarHBondContact CA-O 3.47Å; Q219-Q222 PolarHBondContact N-O 3.38Å; Q219-Q222 WeakPolarHBondContact O-CB 3.41Å; Q219-Q222 PolarHBondContact O-N 2.7Å; D220-Q222 PolarHBondContact O-N 3.39Å; Q222-F224 HydrophobicContact CB-CD2 4.33Å; Q222-F224 HydrophobicContact CB-CE2 3.36Å; Q222-F224 HydrophobicContact CB-CZ 3.56Å; Q222-F224 WeakPolarHBondContact O-CD2 3.25Å; Q222-F224 VanDerWaalsContact O-CE2 3.26Å; Q222-F224 WeakPolarHBondContact O-CE2 3.32Å
223P97.4Very high95.8Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-92116-178.132.7-33.8000113.1I81 L88 R126 T128 T216 V218 W221 V341I81-P223 VanDerWaalsContact CD1-O 3.3Å; I81-P223 WeakPolarHBondContact CD1-O 3.4Å; L88-P223 HydrophobicContact CD1-CG 4.09Å; R126-P223 HydrophobicContact CG-CG 3.78Å; R126-P223 PolarHBondContact NH1-O 2.91Å; T128-P223 HydrophobicContact CG2-CG 4.12Å; T216-P223 HydrophobicContact CG2-CB 3.93Å; V218-P223 HydrophobicContact CG2-CB 4.32Å; W221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-V341 HydrophobicContact CB-CG1 3.59Å; P223-V341 HydrophobicContact CB-CG2 4.1Å; P223-V341 HydrophobicContact CG-CG1 3.87Å
224F97.6Very high95.9Very high1 Ų130.1 Ų30.10%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-116.8144.9-178.6-57.1-82.4000112I81 I217 Q222 N230 I233 L234I81-F224 HydrophobicContact CB-CD1 4.44Å; I81-F224 HydrophobicContact CD1-CD1 4.04Å; I81-F224 HydrophobicContact CD1-CE1 4.42Å; I81-F224 HydrophobicContact CG2-CD1 4.28Å; I81-F224 HydrophobicContact CG2-CE1 3.99Å; I217-F224 HydrophobicContact CB-CB 4.48Å; I217-F224 PolarHBondContact N-O 3.43Å; I217-F224 PolarHBondContact O-N 3.21Å; Q222-F224 HydrophobicContact CB-CD2 4.33Å; Q222-F224 HydrophobicContact CB-CE2 3.36Å; Q222-F224 HydrophobicContact CB-CZ 3.56Å; Q222-F224 WeakPolarHBondContact O-CD2 3.25Å; Q222-F224 VanDerWaalsContact O-CE2 3.26Å; Q222-F224 WeakPolarHBondContact O-CE2 3.32Å; F224-N230 HydrophobicContact CB-CB 4.09Å; F224-N230 HydrophobicContact CD1-CB 4.09Å; F224-N230 HydrophobicContact CG-CB 4.42Å; F224-I233 HydrophobicContact CE1-CG2 4.34Å; F224-I233 HydrophobicContact CZ-CG2 4.44Å; F224-L234 HydrophobicContact CB-CD1 4.27Å; F224-L234 HydrophobicContact CD2-CD1 4.14Å; F224-L234 HydrophobicContact CD2-CD2 3.7Å; F224-L234 HydrophobicContact CD2-CG 4.1Å; F224-L234 HydrophobicContact CE2-CD2 3.67Å; F224-L234 HydrophobicContact CE2-CG 4.31Å; F224-L234 HydrophobicContact CG-CD1 4.26Å; F224-L234 HydrophobicContact CG-CD2 4.5Å; F224-L234 HydrophobicContact CG-CG 4.43Å; F224-L234 HydrophobicContact CZ-CD2 4.46Å
225K96.5Very high96Very high75 Ų7526.1 Ų26.133%0.32615%0.151SC..  trans-74.6149.1159.4-68.2177.6-170.9167.90110.6D82 V227 N230D82-K225 HydrophobicContact CB-CD 4.09Å; D82-K225 PolarHBondContact OD1-N 3.23Å; D82-K225 VanDerWaalsContact OD2-CD 3.32Å; D82-K225 WeakPolarHBondContact OD2-CD 3.34Å; D82-K225 VanDerWaalsContact OD2-CE 3.26Å; D82-K225 WeakPolarHBondContact OD2-CE 3.32Å; D82-K225 WeakPolarHBondContact OD2-CG 3.12Å; D82-K225 IonicContact OD2-NZ 3.74Å; K225-V227 HydrophobicContact CB-CG1 4.03Å; K225-V227 HydrophobicContact CB-CG2 4.32Å; K225-V227 PolarHBondContact O-N 2.82Å; K225-N230 PolarHBondContact N-ND2 2.77Å; K225-N230 WeakPolarHBondContact O-CB 3.3Å; K225-N230 PolarHBondContact O-ND2 3.11Å
226P95.4Very high96Very high36 Ų3631.9 Ų31.923%0.23417%0.167CC..SBendtrans-73.772.6171.331.1-35.4000110.4F202 L203 A215 I217F202-P226 VanDerWaalsContact O-CB 3.25Å; F202-P226 WeakPolarHBondContact O-CB 3.14Å; L203-P226 WeakPolarHBondContact CD1-O 3.25Å; A215-P226 WeakPolarHBondContact O-CD 3.38Å; I217-P226 HydrophobicContact CD1-CB 4.11Å
227V95.7Very high95.8Very high29 Ų2934.1 Ų34.118%0.17618%0.176CC..SBendtrans-124.6158.1178-62.10000110.7D83 L203 K225 S229 N230 M231D83-V227 WeakPolarHBondContact OD2-CB 3.26Å; L203-V227 VanDerWaalsContact CD1-C 3.43Å; K225-V227 HydrophobicContact CB-CG1 4.03Å; K225-V227 HydrophobicContact CB-CG2 4.32Å; K225-V227 PolarHBondContact O-N 2.82Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.91Å; V227-N230 HydrophobicContact CG2-CB 4.1Å; V227-N230 PolarHBondContact O-N 3.04Å; V227-N230 VanDerWaalsContact O-N 3.09Å; V227-M231 PolarHBondContact O-N 2.93Å; V227-M231 VanDerWaalsContact O-N 3.09Å
228P95.4Very high95.7Very high72 Ų7239 Ų3947%0.46820%0.202SC..Hα-helixtrans-57.5-42.2-170.9-22.832.6000113.1L203 N230 M231 V232L203-P228 HydrophobicContact CD1-CG 4.04Å; L203-P228 HydrophobicContact CD2-CB 4.18Å; L203-P228 HydrophobicContact CD2-CG 4.04Å; P228-N230 VanDerWaalsContact C-N 3.26Å; P228-N230 PolarHBondContact O-N 3.45Å; P228-M231 PolarHBondContact O-N 2.92Å; P228-V232 PolarHBondContact O-N 2.76Å
229S95.7Very high95.6Very high40 Ų4039.6 Ų39.628%0.2821%0.205SC..Hα-helixtrans-59.1-38-179.971.80000112.8D83 V227D83-S229 PolarHBondContact N-OG 3.36Å; D83-S229 WeakPolarHBondContact OD1-CB 3.32Å; D83-S229 PolarHBondContact OD1-OG 3.29Å; D83-S229 VanDerWaalsContact OD1-OG 3.09Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.91Å
230N96.9Very high95.7Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-79.3-35-177.3-71.3-9.9000111.8I81 D82 F224 K225 V227 P228 V232 I233 L234I81-N230 WeakPolarHBondContact CB-OD1 3.34Å; D82-N230 PolarHBondContact N-OD1 2.65Å; D82-N230 PolarHBondContact OD1-ND2 3.13Å; F224-N230 HydrophobicContact CB-CB 4.09Å; F224-N230 HydrophobicContact CD1-CB 4.09Å; F224-N230 HydrophobicContact CG-CB 4.42Å; K225-N230 PolarHBondContact N-ND2 2.77Å; K225-N230 WeakPolarHBondContact O-CB 3.3Å; K225-N230 PolarHBondContact O-ND2 3.11Å; V227-N230 HydrophobicContact CG2-CB 4.1Å; V227-N230 PolarHBondContact O-N 3.04Å; V227-N230 VanDerWaalsContact O-N 3.09Å; P228-N230 VanDerWaalsContact C-N 3.26Å; P228-N230 PolarHBondContact O-N 3.45Å; N230-V232 PolarHBondContact O-N 2.79Å; N230-I233 WeakPolarHBondContact O-CA 3.36Å; N230-I233 WeakPolarHBondContact O-CB 3.46Å; N230-I233 PolarHBondContact O-N 3.3Å; N230-L234 PolarHBondContact O-N 2.93Å
231M95.8Very high95.9Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-62-35.1174.8-66.4-51.1-60.800111.2F202 L203 I217 V227 P228 I233 L234 L235 W241F202-M231 HydrophobicContact CB-CE 3.88Å; F202-M231 HydrophobicContact CB-SD 4.1Å; L203-M231 HydrophobicContact CB-CG 4.28Å; L203-M231 HydrophobicContact CD1-CG 4.34Å; I217-M231 HydrophobicContact CD1-SD 4.02Å; V227-M231 PolarHBondContact O-N 2.93Å; V227-M231 VanDerWaalsContact O-N 3.09Å; P228-M231 PolarHBondContact O-N 2.92Å; M231-I233 PolarHBondContact O-N 3.42Å; M231-L234 PolarHBondContact O-N 2.74Å; M231-L234 HydrophobicContact SD-CD1 3.99Å; M231-L235 HydrophobicContact CB-CD1 4.39Å; M231-L235 HydrophobicContact CE-CG 4.4Å; M231-L235 VanDerWaalsContact O-CB 3.28Å; M231-L235 WeakPolarHBondContact O-CB 3.04Å; M231-L235 WeakPolarHBondContact O-CD1 3.42Å; M231-L235 WeakPolarHBondContact O-CG 3.22Å; M231-L235 PolarHBondContact O-N 3.45Å; M231-W241 HydrophobicContact CE-CH2 4.1Å; M231-W241 HydrophobicContact CE-CZ3 4.46Å
232V94.3Very high96Very high82 Ų8237.4 Ų37.450%0.49720%0.197SC..Hα-helixtrans-60.8-33.9172.1174.10000112.3P228 N230 K236P228-V232 PolarHBondContact O-N 2.76Å; N230-V232 PolarHBondContact O-N 2.79Å; V232-K236 WeakPolarHBondContact O-CD 3.38Å; V232-K236 VanDerWaalsContact O-CG 3.3Å; V232-K236 WeakPolarHBondContact O-CG 3.3Å
233I94.7Very high96Very high33 Ų3336.6 Ų36.617%0.16919%0.193CC..Hα-helixtrans-73.4-51176.4-59.7167.6000109.7N60 I81 F224 N230 M231 L235 K236N60-I233 WeakPolarHBondContact ND2-CD1 3.36Å; I81-I233 HydrophobicContact CG2-CD1 4.11Å; F224-I233 HydrophobicContact CE1-CG2 4.34Å; F224-I233 HydrophobicContact CZ-CG2 4.44Å; N230-I233 WeakPolarHBondContact O-CA 3.36Å; N230-I233 WeakPolarHBondContact O-CB 3.46Å; N230-I233 PolarHBondContact O-N 3.3Å; M231-I233 PolarHBondContact O-N 3.42Å; I233-L235 PolarHBondContact O-N 2.78Å; I233-K236 PolarHBondContact O-N 2.93Å
234L96.1Very high95.9Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-62.2-42.5-176.4-73.8166.7000112.3I217 Q219 F224 N230 M231 K236 K237 I239 W241I217-L234 HydrophobicContact CD1-CD1 3.97Å; I217-L234 HydrophobicContact CG2-CD1 4.14Å; Q219-L234 HydrophobicContact CB-CD2 3.96Å; Q219-L234 HydrophobicContact CG-CD2 4.31Å; F224-L234 HydrophobicContact CB-CD1 4.27Å; F224-L234 HydrophobicContact CD2-CD1 4.14Å; F224-L234 HydrophobicContact CD2-CD2 3.7Å; F224-L234 HydrophobicContact CD2-CG 4.1Å; F224-L234 HydrophobicContact CE2-CD2 3.67Å; F224-L234 HydrophobicContact CE2-CG 4.31Å; F224-L234 HydrophobicContact CG-CD1 4.26Å; F224-L234 HydrophobicContact CG-CD2 4.5Å; F224-L234 HydrophobicContact CG-CG 4.43Å; F224-L234 HydrophobicContact CZ-CD2 4.46Å; N230-L234 PolarHBondContact O-N 2.93Å; M231-L234 PolarHBondContact O-N 2.74Å; M231-L234 HydrophobicContact SD-CD1 3.99Å; L234-K236 PolarHBondContact O-N 2.68Å; L234-K237 WeakPolarHBondContact O-CB 3.38Å; L234-K237 PolarHBondContact O-N 2.8Å; L234-K237 VanDerWaalsContact O-N 3.1Å; L234-I239 HydrophobicContact CD2-CD1 4.49Å; L234-W241 HydrophobicContact CB-CH2 3.98Å; L234-W241 HydrophobicContact CB-CZ2 3.99Å; L234-W241 HydrophobicContact CD1-CH2 4.27Å
235L95.6Very high95.7Very high36 Ų3640.3 Ų40.319%0.18821%0.213CC..THydrogen-bonded Turntrans-72.8-12.2-178.1-64.8168.8000114L195 A198 H199 M231 I233 W241L195-L235 HydrophobicContact CB-CD2 4.22Å; L195-L235 HydrophobicContact CD2-CD2 3.88Å; A198-L235 HydrophobicContact CB-CD2 4.32Å; H199-L235 HydrophobicContact CB-CD1 3.85Å; M231-L235 HydrophobicContact CB-CD1 4.39Å; M231-L235 HydrophobicContact CE-CG 4.4Å; M231-L235 VanDerWaalsContact O-CB 3.28Å; M231-L235 WeakPolarHBondContact O-CB 3.04Å; M231-L235 WeakPolarHBondContact O-CD1 3.42Å; M231-L235 WeakPolarHBondContact O-CG 3.22Å; M231-L235 PolarHBondContact O-N 3.45Å; I233-L235 PolarHBondContact O-N 2.78Å; L235-W241 HydrophobicContact CD2-CZ2 4.37Å
236K93.9Very high95.5Very high171 Ų17141 Ų4174%0.74321%0.214SC*.THydrogen-bonded Turntrans-83.2-16.6171.1-73.6174.1-176.5179.90112.8V232 I233 L234V232-K236 WeakPolarHBondContact O-CD 3.38Å; V232-K236 VanDerWaalsContact O-CG 3.3Å; V232-K236 WeakPolarHBondContact O-CG 3.3Å; I233-K236 PolarHBondContact O-N 2.93Å; L234-K236 PolarHBondContact O-N 2.68Å
237K93.4Very high95.3Very high52 Ų5247.8 Ų47.823%0.22624%0.236CC..SBendtrans-80.9150.8178.1-60.7177.8178.5-178.30109.5Q219 L234 I239Q219-K237 VanDerWaalsContact OE1-CD 3.22Å; L234-K237 WeakPolarHBondContact O-CB 3.38Å; L234-K237 PolarHBondContact O-N 2.8Å; L234-K237 VanDerWaalsContact O-N 3.1Å; K237-I239 HydrophobicContact CB-CD1 3.56Å; K237-I239 HydrophobicContact CB-CG1 3.77Å; K237-I239 HydrophobicContact CD-CD1 3.91Å; K237-I239 HydrophobicContact CG-CD1 4.37Å; K237-I239 PolarHBondContact O-N 3.33Å; K237-I239 VanDerWaalsContact O-N 3.1Å
238D94.5Very high95.1Very high103 Ų10351.2 Ų51.255%0.55126%0.257SS*.  trans-80.390.5173.6-164.97.8000109.2H257D238-H257 HydrophobicContact CB-CB 3.89Å; D238-H257 VanDerWaalsContact CG-CB 3.42Å; D238-H257 PolarHBondContact O-N 3.14Å; D238-H257 WeakPolarHBondContact OD2-CB 3.12Å; D238-H257 IonicContact OD2-CD2 3.73Å; D238-H257 IonicContact OD2-CG 2.8Å; D238-H257 VanDerWaalsContact OD2-CG 3.24Å; D238-H257 IonicContact OD2-ND1 3.17Å
239I96.9Very high95.1Very high12 Ų1248.2 Ų48.26%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-130.3132.2-175.1-60.6164.2000109.2Q219 L234 K237 W241 L254 C255Q219-I239 HydrophobicContact CG-CD1 3.71Å; Q219-I239 HydrophobicContact CG-CG1 4.46Å; L234-I239 HydrophobicContact CD2-CD1 4.49Å; K237-I239 HydrophobicContact CB-CD1 3.56Å; K237-I239 HydrophobicContact CB-CG1 3.77Å; K237-I239 HydrophobicContact CD-CD1 3.91Å; K237-I239 HydrophobicContact CG-CD1 4.37Å; K237-I239 PolarHBondContact O-N 3.33Å; K237-I239 VanDerWaalsContact O-N 3.1Å; I239-W241 HydrophobicContact CD1-CZ2 4.17Å; I239-W241 HydrophobicContact CG2-CD2 4.34Å; I239-W241 HydrophobicContact CG2-CG 4.36Å; I239-W241 HydrophobicContact CG2-CZ2 4.48Å; I239-L254 HydrophobicContact CG2-CB 3.95Å; I239-L254 HydrophobicContact CG2-CG 4.38Å; I239-C255 CarbonylContact C-O 3.6Å; I239-C255 VanDerWaalsContact CA-O 3.29Å; I239-C255 WeakPolarHBondContact CA-O 3.39Å
240D97.4Very high95.1Very high18 Ų1849.9 Ų49.910%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-84.7122.8163.2-74.3-47000109.9L192 L254 C255 R297 H298L192-D240 HydrophobicContact CD1-CB 4.02Å; D240-L254 WeakPolarHBondContact O-CA 3.4Å; D240-C255 HydrophobicContact CB-CB 4.29Å; D240-C255 PolarHBondContact N-O 2.8Å; D240-C255 PolarHBondContact O-N 3.06Å; D240-R297 IonicContact OD1-CZ 3.52Å; D240-R297 IonicContact OD1-NE 2.63Å; D240-R297 PolarHBondContact OD1-NE 3.17Å; D240-R297 VanDerWaalsContact OD1-NE 3.13Å; D240-R297 IonicContact OD1-NH2 2.74Å; D240-R297 PolarHBondContact OD1-NH2 3.04Å; D240-R297 WeakPolarHBondContact OD2-CD 3.45Å; D240-R297 IonicContact OD2-CZ 2.8Å; D240-R297 IonicContact OD2-NE 2.73Å; D240-R297 PolarHBondContact OD2-NE 3.05Å; D240-R297 IonicContact OD2-NH2 3.17Å; D240-H298 IonicContact OD2-CE1 3.1Å; D240-H298 PolarHBondContact OD2-CE1 3.19Å; D240-H298 IonicContact OD2-NE2 2.72Å; D240-H298 PolarHBondContact OD2-NE2 2.86Å
241W98.1Very high95.1Very high3 Ų349.9 Ų49.91%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-102.8118.1180-6177.8000109.3L193 A198 F202 M231 L234 L235 I239 L254L193-W241 HydrophobicContact CB-CB 4.12Å; L193-W241 PolarHBondContact N-O 3.42Å; A198-W241 HydrophobicContact CB-CB 4.12Å; A198-W241 HydrophobicContact CB-CD2 3.78Å; A198-W241 HydrophobicContact CB-CE3 4.04Å; A198-W241 HydrophobicContact CB-CG 3.81Å; F202-W241 HydrophobicContact CD1-CZ3 4.12Å; F202-W241 HydrophobicContact CD2-CE3 4.05Å; F202-W241 HydrophobicContact CD2-CZ3 4.01Å; F202-W241 HydrophobicContact CE1-CE3 4.42Å; F202-W241 HydrophobicContact CE1-CZ3 4.02Å; F202-W241 AromaticContact CE2-CE3 3.65Å; F202-W241 HydrophobicContact CE2-CE3 3.65Å; F202-W241 AromaticContact CE2-CZ3 3.92Å; F202-W241 HydrophobicContact CE2-CZ3 3.92Å; F202-W241 HydrophobicContact CG-CZ3 4.11Å; F202-W241 AromaticContact CZ-CE3 3.86Å; F202-W241 HydrophobicContact CZ-CE3 3.86Å; F202-W241 AromaticContact CZ-CZ3 3.92Å; F202-W241 HydrophobicContact CZ-CZ3 3.92Å; M231-W241 HydrophobicContact CE-CH2 4.1Å; M231-W241 HydrophobicContact CE-CZ3 4.46Å; L234-W241 HydrophobicContact CB-CH2 3.98Å; L234-W241 HydrophobicContact CB-CZ2 3.99Å; L234-W241 HydrophobicContact CD1-CH2 4.27Å; L235-W241 HydrophobicContact CD2-CZ2 4.37Å; I239-W241 HydrophobicContact CD1-CZ2 4.17Å; I239-W241 HydrophobicContact CG2-CD2 4.34Å; I239-W241 HydrophobicContact CG2-CG 4.36Å; I239-W241 HydrophobicContact CG2-CZ2 4.48Å; W241-L254 HydrophobicContact CD2-CG 4.39Å; W241-L254 HydrophobicContact CE3-CD1 4.28Å; W241-L254 HydrophobicContact CE3-CD2 4.05Å; W241-L254 HydrophobicContact CE3-CG 3.85Å; W241-L254 HydrophobicContact CH2-CD2 3.84Å; W241-L254 HydrophobicContact CH2-CG 4.49Å; W241-L254 HydrophobicContact CZ3-CD1 4.4Å; W241-L254 HydrophobicContact CZ3-CD2 3.58Å; W241-L254 HydrophobicContact CZ3-CG 3.92Å
242M97.9Very high95.2Very high5 Ų549.9 Ų49.93%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-126.3147.4179.1-66.1-172.5-171.300112.5P190 V191 L192 A252 S253 S293 H294P190-M242 HydrophobicContact CB-CB 4.39Å; P190-M242 HydrophobicContact CB-SD 4.17Å; V191-M242 VanDerWaalsContact O-CA 3.25Å; V191-M242 WeakPolarHBondContact O-CA 3.33Å; L192-M242 HydrophobicContact CD1-CE 3.98Å; L192-M242 HydrophobicContact CD1-CG 3.97Å; M242-A252 CarbonylContact O-C 3.54Å; M242-A252 VanDerWaalsContact O-CA 3.3Å; M242-A252 WeakPolarHBondContact O-CA 3.22Å; M242-S253 PolarHBondContact N-O 2.9Å; M242-S253 PolarHBondContact O-N 3.37Å; M242-S293 PolarHBondContact SD-OG 3.12Å; M242-S293 VanDerWaalsContact SD-OG 3.37Å; M242-H294 WeakPolarHBondContact CE-ND1 3.39Å; M242-H294 PolarHBondContact SD-CE1 3.25Å
243V97.6Very high95.4Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-135158171.2-67.40000110.9P190 V191 L193 M201 D245 P249 V251 A252 Q290P190-V243 CarbonylContact C-O 3.59Å; P190-V243 WeakPolarHBondContact CA-O 3.34Å; V191-V243 HydrophobicContact CB-CG2 4.1Å; V191-V243 PolarHBondContact N-O 3.42Å; V191-V243 PolarHBondContact O-N 3.01Å; L193-V243 HydrophobicContact CD1-CG1 4.08Å; L193-V243 HydrophobicContact CD1-CG2 4.22Å; L193-V243 HydrophobicContact CD2-CG2 3.89Å; L193-V243 HydrophobicContact CG-CG2 4.19Å; M201-V243 HydrophobicContact CE-CG2 4.18Å; M201-V243 HydrophobicContact SD-CB 4.4Å; M201-V243 HydrophobicContact SD-CG1 3.58Å; M201-V243 VanDerWaalsContact SD-CG1 3.58Å; M201-V243 HydrophobicContact SD-CG2 4.2Å; V243-D245 WeakPolarHBondContact CG2-O 3.23Å; V243-P249 HydrophobicContact CB-CB 4.15Å; V243-P249 HydrophobicContact CG1-CB 4.23Å; V243-V251 WeakPolarHBondContact CA-O 3.34Å; V243-A252 HydrophobicContact CG1-CB 3.97Å; V243-Q290 PolarHBondContact O-NE2 3.26Å
244D95.4Very high95.6Very high22 Ų2244.4 Ų44.412%0.11821%0.214CC..SBendtrans-70.7-39.7173.760.4-41.5000112.1P249 T250 V251 L286 Q290D244-P249 VanDerWaalsContact OD1-CA 3.23Å; D244-P249 WeakPolarHBondContact OD1-CA 3.34Å; D244-T250 PolarHBondContact OD1-N 3.4Å; D244-T250 PolarHBondContact OD2-N 3.44Å; D244-T250 VanDerWaalsContact OD2-N 3.11Å; D244-T250 PolarHBondContact OD2-OG1 3.39Å; D244-V251 HydrophobicContact CB-CB 4.38Å; D244-V251 PolarHBondContact N-O 2.8Å; D244-V251 PolarHBondContact OD1-N 2.83Å; D244-L286 HydrophobicContact CB-CD1 4.12Å; D244-L286 HydrophobicContact CB-CD2 4Å; D244-L286 HydrophobicContact CB-CG 4.5Å; D244-L286 WeakPolarHBondContact OD2-CD1 3.29Å; D244-Q290 VanDerWaalsContact N-NE2 3.16Å
245D93.3Very high95.7Very high58 Ų5844.4 Ų44.431%0.3121%0.214SC..  trans-141.4143.2179.8-174.1-90.6000112.2V243 Y247 T248 P249V243-D245 WeakPolarHBondContact CG2-O 3.23Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 3.19Å; D245-Y247 WeakPolarHBondContact OD1-CA 3.48Å; D245-Y247 PolarHBondContact OD1-N 3.24Å; D245-T248 PolarHBondContact OD1-N 3Å; D245-T248 PolarHBondContact OD1-OG1 3.13Å; D245-P249 WeakPolarHBondContact O-CB 3.44Å
246R92Very high95.7Very high88 Ų8843 Ų4333%0.33221%0.208SC..SBendtrans-73.1-23.5-176.9-73.8-175.9-179.8-78.80.8113.8V191 L192 E197 M201V191-R246 HydrophobicContact CB-CG 4.31Å; V191-R246 HydrophobicContact CG1-CG 3.64Å; V191-R246 HydrophobicContact CG2-CG 4.19Å; L192-R246 PolarHBondContact O-NH2 2.87Å; E197-R246 IonicContact OE1-CZ 3.14Å; E197-R246 IonicContact OE1-NH1 3.82Å; E197-R246 PolarHBondContact OE1-NH1 3.24Å; E197-R246 IonicContact OE2-CZ 2.68Å; E197-R246 IonicContact OE2-NH1 2.93Å; E197-R246 PolarHBondContact OE2-NH1 2.89Å; E197-R246 IonicContact OE2-NH2 3.33Å; M201-R246 WeakPolarHBondContact CE-O 3.47Å
247Y90.4Very high95.7Very high179 Ų17938.7 Ų38.770%0.70219%0.19SC*.SBendtrans-113.6-36-168.2-55.4-74.1000112L207 D245 P249L207-Y247 WeakPolarHBondContact CD1-O 3.13Å; L207-Y247 VanDerWaalsContact CD2-O 3.26Å; L207-Y247 WeakPolarHBondContact CD2-O 3.45Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 3.19Å; D245-Y247 WeakPolarHBondContact OD1-CA 3.48Å; D245-Y247 PolarHBondContact OD1-N 3.24Å; Y247-P249 VanDerWaalsContact C-CD 3.49Å
248T92.3Very high95.7Very high101 Ų10136.8 Ų36.862%0.6218%0.183SC*.SBendtrans-134.262179.159.20000110.9D245 T250D245-T248 PolarHBondContact OD1-N 3Å; D245-T248 PolarHBondContact OD1-OG1 3.13Å; T248-T250 PolarHBondContact O-N 2.97Å
249P94.8Very high95.5Very high10 Ų1033.3 Ų33.37%0.06516%0.163CC..  trans-62.5134.4-178.725.9-34.8000111.2M201 L207 M208 V211 V243 D244 D245 Y247M201-P249 HydrophobicContact SD-CG 4.22Å; L207-P249 HydrophobicContact CB-CG 3.82Å; L207-P249 HydrophobicContact CD1-CG 4.44Å; M208-P249 HydrophobicContact CE-CB 3.53Å; M208-P249 HydrophobicContact CE-CG 3.12Å; V211-P249 VanDerWaalsContact CG2-O 3.29Å; V211-P249 WeakPolarHBondContact CG2-O 3.24Å; V243-P249 HydrophobicContact CB-CB 4.15Å; V243-P249 HydrophobicContact CG1-CB 4.23Å; D244-P249 VanDerWaalsContact OD1-CA 3.23Å; D244-P249 WeakPolarHBondContact OD1-CA 3.34Å; D245-P249 WeakPolarHBondContact O-CB 3.44Å; Y247-P249 VanDerWaalsContact C-CD 3.49Å
250T95.8Very high95.1Very high74 Ų7438.3 Ų38.345%0.45418%0.181SC..SBendtrans-114.5-17.8172.270.20000112.3D244 T248 G281 L286D244-T250 PolarHBondContact OD1-N 3.4Å; D244-T250 PolarHBondContact OD2-N 3.44Å; D244-T250 VanDerWaalsContact OD2-N 3.11Å; D244-T250 PolarHBondContact OD2-OG1 3.39Å; T248-T250 PolarHBondContact O-N 2.97Å; T250-G281 WeakPolarHBondContact O-CA 3.22Å; T250-L286 VanDerWaalsContact OG1-CD1 3.24Å; T250-L286 WeakPolarHBondContact OG1-CD1 3.3Å
251V97.1Very high94.4Very high0 Ų037.6 Ų37.60%018%0.177CC..  trans-136.2132.9175.7-179.10000109.7V243 D244 V279 F280 D283 L286 V287 Q290V243-V251 WeakPolarHBondContact CA-O 3.34Å; D244-V251 HydrophobicContact CB-CB 4.38Å; D244-V251 PolarHBondContact N-O 2.8Å; D244-V251 PolarHBondContact OD1-N 2.83Å; V251-V279 HydrophobicContact CG1-CG1 4.09Å; V251-F280 CarbonylContact C-O 3.54Å; V251-F280 WeakPolarHBondContact CA-O 3.36Å; V251-F280 VanDerWaalsContact CG1-O 3.24Å; V251-F280 WeakPolarHBondContact CG1-O 3.44Å; V251-D283 HydrophobicContact CG2-CB 4.3Å; V251-L286 HydrophobicContact CB-CB 4.05Å; V251-L286 HydrophobicContact CG1-CB 4.5Å; V251-L286 HydrophobicContact CG2-CB 3.5Å; V251-L286 VanDerWaalsContact CG2-CB 3.5Å; V251-L286 HydrophobicContact CG2-CD1 3.97Å; V251-L286 HydrophobicContact CG2-CG 4.4Å; V251-V287 HydrophobicContact CG1-CG2 3.86Å; V251-V287 HydrophobicContact CG2-CG2 4.31Å; V251-Q290 HydrophobicContact CG1-CG 3.6Å
252A98Very high93.1Very high0 Ų040 Ų400%019%0.194CC..EExtended strand (participates in β ladder)trans-126.2151.8172.800000109.9F202 M208 V211 M242 V243 F280F202-A252 HydrophobicContact CZ-CB 4.14Å; M208-A252 HydrophobicContact SD-CB 4.09Å; V211-A252 HydrophobicContact CG1-CB 3.88Å; M242-A252 CarbonylContact O-C 3.54Å; M242-A252 VanDerWaalsContact O-CA 3.3Å; M242-A252 WeakPolarHBondContact O-CA 3.22Å; V243-A252 HydrophobicContact CG1-CB 3.97Å; A252-F280 HydrophobicContact CB-CD2 4.44Å; A252-F280 PolarHBondContact N-O 2.8Å; A252-F280 PolarHBondContact O-N 2.97Å
253S98.4Very high91.6Very high0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-143.5146.8171.467.10000112.6M242 D278 Q290 H294M242-S253 PolarHBondContact N-O 2.9Å; M242-S253 PolarHBondContact O-N 3.37Å; S253-D278 CarbonylContact C-O 3.59Å; S253-D278 WeakPolarHBondContact CA-O 3.18Å; S253-Q290 PolarHBondContact OG-OE1 3.45Å; S253-H294 PolarHBondContact OG-CD2 3.12Å; S253-H294 PolarHBondContact OG-NE2 3.03Å
254L98.5Very high90.1Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-124.2117.1-179.1-70.865.1000106.9F202 I217 Q219 I239 D240 W241 D278 F280F202-L254 HydrophobicContact CE1-CD1 4.25Å; F202-L254 HydrophobicContact CZ-CD1 4Å; I217-L254 HydrophobicContact CG2-CD2 3.68Å; Q219-L254 HydrophobicContact CB-CD2 4.08Å; Q219-L254 HydrophobicContact CG-CB 4.39Å; Q219-L254 HydrophobicContact CG-CD2 4.05Å; I239-L254 HydrophobicContact CG2-CB 3.95Å; I239-L254 HydrophobicContact CG2-CG 4.38Å; D240-L254 WeakPolarHBondContact O-CA 3.4Å; W241-L254 HydrophobicContact CD2-CG 4.39Å; W241-L254 HydrophobicContact CE3-CD1 4.28Å; W241-L254 HydrophobicContact CE3-CD2 4.05Å; W241-L254 HydrophobicContact CE3-CG 3.85Å; W241-L254 HydrophobicContact CH2-CD2 3.84Å; W241-L254 HydrophobicContact CH2-CG 4.49Å; W241-L254 HydrophobicContact CZ3-CD1 4.4Å; W241-L254 HydrophobicContact CZ3-CD2 3.58Å; W241-L254 HydrophobicContact CZ3-CG 3.92Å; L254-D278 HydrophobicContact CB-CB 4.42Å; L254-D278 PolarHBondContact N-O 2.83Å; L254-D278 PolarHBondContact O-N 3.08Å; L254-F280 HydrophobicContact CD1-CD2 3.96Å; L254-F280 HydrophobicContact CD1-CE2 3.59Å
255C98.3Very high88.7Confident0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-111.8115.8179.7-177.50000109.9I239 D240 L275 N276 I277 H294 H298I239-C255 CarbonylContact C-O 3.6Å; I239-C255 VanDerWaalsContact CA-O 3.29Å; I239-C255 WeakPolarHBondContact CA-O 3.39Å; D240-C255 HydrophobicContact CB-CB 4.29Å; D240-C255 PolarHBondContact N-O 2.8Å; D240-C255 PolarHBondContact O-N 3.06Å; C255-L275 WeakPolarHBondContact SG-CD1 3.43Å; C255-N276 WeakPolarHBondContact CA-O 3.44Å; C255-I277 HydrophobicContact CB-CG1 4.36Å; C255-H294 HydrophobicContact CB-CB 4.4Å; C255-H294 WeakPolarHBondContact CB-CE1 3.5Å; C255-H294 VanDerWaalsContact CB-ND1 3.25Å; C255-H294 WeakPolarHBondContact CB-ND1 3.35Å; C255-H298 VanDerWaalsContact SG-CD2 3.55Å; C255-H298 PolarHBondContact SG-NE2 3.18Å
256T96Very high87.2Confident7 Ų747.8 Ų47.84%0.04324%0.237CC..EExtended strand (participates in β ladder)trans-68.6131.5173.4-53.60000108.7Q219 N276Q219-T256 PolarHBondContact NE2-OG1 2.91Å; T256-N276 PolarHBondContact N-O 3.46Å
257H94Very high85.8Confident80 Ų8047.9 Ų47.937%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-53.8132176.2-164.891.6000110.5D238 F259D238-H257 HydrophobicContact CB-CB 3.89Å; D238-H257 VanDerWaalsContact CG-CB 3.42Å; D238-H257 PolarHBondContact O-N 3.14Å; D238-H257 WeakPolarHBondContact OD2-CB 3.12Å; D238-H257 IonicContact OD2-CD2 3.73Å; D238-H257 IonicContact OD2-CG 2.8Å; D238-H257 VanDerWaalsContact OD2-CG 3.24Å; D238-H257 IonicContact OD2-ND1 3.17Å; H257-F259 PolarHBondContact O-N 2.87Å
258P93.5Very high84.5Confident12 Ų1240 Ų408%0.07824%0.235CC..EExtended strand (participates in β ladder)trans-58.3137.8-175-12.112.1000112.3Y274 L275 H298 L302P258-Y274 WeakPolarHBondContact CA-O 3.18Å; P258-L275 HydrophobicContact CG-CD1 4.03Å; P258-H298 WeakPolarHBondContact CD-ND1 3.4Å; P258-H298 HydrophobicContact CG-CB 3.98Å; P258-L302 HydrophobicContact CB-CD1 4.41Å; P258-L302 HydrophobicContact CB-CD2 3.62Å; P258-L302 HydrophobicContact CB-CG 4.41Å; P258-L302 HydrophobicContact CG-CD1 4.1Å; P258-L302 HydrophobicContact CG-CD2 3.92Å; P258-L302 HydrophobicContact CG-CG 4.19Å
259F90.2Very high83Confident30 Ų3037.1 Ų37.113%0.13223%0.227CC..EExtended strand (participates in β ladder)trans-123.215217763.6-88.6000111.3T50 H257 V261 Y273 Y274T50-F259 HydrophobicContact CG2-CD2 4.16Å; H257-F259 PolarHBondContact O-N 2.87Å; F259-V261 HydrophobicContact CD2-CG2 4.27Å; F259-V261 HydrophobicContact CE2-CG2 3.91Å; F259-Y273 CarbonylContact O-C 3.5Å; F259-Y273 WeakPolarHBondContact O-CA 3.48Å; F259-Y274 AromaticContact CE1-CD1 3.82Å; F259-Y274 HydrophobicContact CE1-CD1 3.82Å; F259-Y274 HydrophobicContact CE1-CG 4.19Å; F259-Y274 HydrophobicContact CE2-CG 4.45Å; F259-Y274 AromaticContact CZ-CD1 3.77Å; F259-Y274 HydrophobicContact CZ-CD1 3.77Å; F259-Y274 AromaticContact CZ-CG 3.86Å; F259-Y274 HydrophobicContact CZ-CG 3.86Å; F259-Y274 PolarHBondContact N-O 2.82Å; F259-Y274 VanDerWaalsContact N-O 3.13Å; F259-Y274 PolarHBondContact O-N 2.78Å
260W87.8Confident81.6Confident118 Ų11841.1 Ų41.145%0.44725%0.251SS..EExtended strand (participates in β ladder)trans-77.5136.2177.1175.573.3000110.8T50 P262 Y273T50-W260 WeakPolarHBondContact CG2-O 3.45Å; W260-P262 HydrophobicContact CE3-CB 4.3Å; W260-P262 HydrophobicContact CE3-CG 3.81Å; W260-P262 HydrophobicContact CH2-CB 3.57Å; W260-P262 HydrophobicContact CH2-CG 3.95Å; W260-P262 HydrophobicContact CZ2-CB 4.21Å; W260-P262 HydrophobicContact CZ3-CB 3.63Å; W260-P262 HydrophobicContact CZ3-CG 3.44Å; W260-P262 VanDerWaalsContact CZ3-CG 3.44Å; W260-Y273 HydrophobicContact CB-CE1 4.36Å
261V83.4Confident80.5Confident2 Ų242.3 Ų42.31%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-104.4110.3176-177.30000109.3G44 L45 F259 G263 G264 T272 Y274G44-V261 WeakPolarHBondContact O-CG1 3.38Å; L45-V261 HydrophobicContact CD2-CG1 4.35Å; L45-V261 HydrophobicContact CD2-CG2 4.47Å; F259-V261 HydrophobicContact CD2-CG2 4.27Å; F259-V261 HydrophobicContact CE2-CG2 3.91Å; V261-G263 PolarHBondContact O-N 3.01Å; V261-G264 PolarHBondContact O-N 3.03Å; V261-T272 PolarHBondContact N-O 3.48Å; V261-Y274 HydrophobicContact CG2-CD2 4.48Å
262P70.6Confident80Confident55 Ų5542.3 Ų42.336%0.35725%0.254SS..EExtended strand (participates in β ladder)trans-59129.7-179.9-16.323.9000112.6P49 W260 G264P49-P262 HydrophobicContact CB-CG 4.45Å; W260-P262 HydrophobicContact CE3-CB 4.3Å; W260-P262 HydrophobicContact CE3-CG 3.81Å; W260-P262 HydrophobicContact CH2-CB 3.57Å; W260-P262 HydrophobicContact CH2-CG 3.95Å; W260-P262 HydrophobicContact CZ2-CB 4.21Å; W260-P262 HydrophobicContact CZ3-CB 3.63Å; W260-P262 HydrophobicContact CZ3-CG 3.44Å; W260-P262 VanDerWaalsContact CZ3-CG 3.44Å; P262-G264 PolarHBondContact O-N 3.48Å
263G66.9Low79.7Confident53 Ų5345.9 Ų45.955%0.54627%0.268SS..THydrogen-bonded Turntrans81.3-16.1175.900000115.1V261V261-G263 PolarHBondContact O-N 3.01Å
264G64.4Low79.4Confident7 Ų746.9 Ų46.97%0.07227%0.272CS..  trans60.6170.7178.300000114.8G44 V261 P262G44-G264 CarbonylContact O-C 3.59Å; V261-G264 PolarHBondContact O-N 3.03Å; P262-G264 PolarHBondContact O-N 3.48Å
265P67.5Low79.3Confident13 Ų1347 Ų478%0.08427%0.273CS..SBendtrans-62.1144.2167.62.54.6000110.6G43 L45 G267 V268 T272 M307G43-P265 WeakPolarHBondContact O-CA 3.42Å; L45-P265 HydrophobicContact CD2-CB 4.49Å; L45-P265 HydrophobicContact CD2-CG 3.7Å; L45-P265 HydrophobicContact CG-CB 4.42Å; L45-P265 HydrophobicContact CG-CG 4.11Å; P265-G267 PolarHBondContact O-N 2.88Å; P265-V268 HydrophobicContact CB-CB 4.24Å; P265-V268 HydrophobicContact CB-CG2 3.76Å; P265-V268 HydrophobicContact CG-CB 3.92Å; P265-V268 HydrophobicContact CG-CG1 4.28Å; P265-V268 HydrophobicContact CG-CG2 3.82Å; P265-V268 WeakPolarHBondContact O-CB 3.48Å; P265-V268 PolarHBondContact O-N 3.26Å; P265-T272 WeakPolarHBondContact CD-OG1 3.35Å; P265-T272 HydrophobicContact CG-CG2 4.37Å; P265-M307 HydrophobicContact CG-CG 4.23Å; P265-M307 HydrophobicContact CG-SD 4.42Å
266R62.3Low79.2Confident174 Ų17447 Ų4766%0.65727%0.273SS*.THydrogen-bonded Turntrans-54.2125.7178-78.9-166.7-84.6-137.9-3.6110.8D40D40-R266 IonicContact OD1-CZ 3.25Å; D40-R266 IonicContact OD1-NE 3.06Å; D40-R266 IonicContact OD1-NH1 2.89Å; D40-R266 PolarHBondContact OD1-NH1 3.21Å; D40-R266 IonicContact OD1-NH2 3.86Å; D40-R266 PolarHBondContact OD1-NH2 3.31Å; D40-R266 IonicContact OD2-CZ 2.65Å; D40-R266 VanDerWaalsContact OD2-CZ 3.25Å; D40-R266 IonicContact OD2-NH1 2.8Å; D40-R266 PolarHBondContact OD2-NH1 3.35Å; D40-R266 IonicContact OD2-NH2 3.24Å; D40-R266 PolarHBondContact OD2-NH2 3.36Å
267G60.8Low79.3Confident90 Ų9046.7 Ų46.793%0.92827%0.271SS*.THydrogen-bonded Turntrans85.33.8178.200000115.7P265P265-G267 PolarHBondContact O-N 2.88Å
268V63.5Low79.5Confident13 Ų1342.9 Ų42.98%0.07925%0.253CS..SBendtrans-107.3-7.7-176.8-1700000112.8P265 H305P265-V268 HydrophobicContact CB-CB 4.24Å; P265-V268 HydrophobicContact CB-CG2 3.76Å; P265-V268 HydrophobicContact CG-CB 3.92Å; P265-V268 HydrophobicContact CG-CG1 4.28Å; P265-V268 HydrophobicContact CG-CG2 3.82Å; P265-V268 WeakPolarHBondContact O-CB 3.48Å; P265-V268 PolarHBondContact O-N 3.26Å; V268-H305 HydrophobicContact CG1-CB 4.14Å; V268-H305 PolarHBondContact O-CD2 3.14Å
269G61.9Low79.8Confident42 Ų4242.4 Ų42.443%0.43325%0.25SS..  trans97.1169-176.900000112.6D271G269-D271 VanDerWaalsContact C-N 3.35Å
270T65.6Low80.1Confident94 Ų9441.1 Ų41.158%0.57725%0.245SC*.SBendtrans-81.4-11.6-17248.50000114.4
271D71.1Confident80.5Confident99 Ų9936 Ų3653%0.52923%0.229SC..EExtended strand (participates in β ladder)trans-120.678.3-171.5-60.4-39.5000110.7G269G269-D271 VanDerWaalsContact C-N 3.35Å
272T87.4Confident81.1Confident0 Ų044 Ų440%026%0.263CS..EExtended strand (participates in β ladder)trans-113.8129.2177.8-59.30000110.6V261 P265 H305 M307V261-T272 PolarHBondContact N-O 3.48Å; P265-T272 WeakPolarHBondContact CD-OG1 3.35Å; P265-T272 HydrophobicContact CG-CG2 4.37Å; T272-H305 CarbonylContact C-O 3.51Å; T272-H305 WeakPolarHBondContact CA-O 3.46Å; T272-M307 HydrophobicContact CG2-CB 4.26Å; T272-M307 HydrophobicContact CG2-CG 3.52Å
273Y91.9Very high82.2Confident74 Ų7445.1 Ų45.129%0.2927%0.266SS..EExtended strand (participates in β ladder)trans-91.2146.9168.2-71.7-93.3000110.8F259 W260 L302 K303 H305 V306 M307F259-Y273 CarbonylContact O-C 3.5Å; F259-Y273 WeakPolarHBondContact O-CA 3.48Å; W260-Y273 HydrophobicContact CB-CE1 4.36Å; Y273-L302 HydrophobicContact CD1-CD2 3.59Å; Y273-L302 HydrophobicContact CD2-CD2 4.04Å; Y273-L302 HydrophobicContact CE1-CD2 4.23Å; Y273-L302 HydrophobicContact CG-CD2 3.48Å; Y273-L302 VanDerWaalsContact CG-CD2 3.48Å; Y273-K303 WeakPolarHBondContact CD2-O 3.15Å; Y273-K303 WeakPolarHBondContact CE2-O 3.36Å; Y273-H305 PolarHBondContact N-O 2.92Å; Y273-V306 CarbonylContact O-C 3.46Å; Y273-V306 WeakPolarHBondContact O-CA 3.24Å; Y273-M307 PolarHBondContact O-N 2.82Å
274Y92.6Very high83.4Confident22 Ų2245.1 Ų45.19%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-107.2128.3170.7-156.3-92.3000109.9L45 P258 F259 V261 N276 M307 Q309L45-Y274 HydrophobicContact CB-CE2 4.47Å; L45-Y274 HydrophobicContact CD1-CE2 4.2Å; L45-Y274 HydrophobicContact CD2-CD2 4.07Å; L45-Y274 HydrophobicContact CD2-CE2 4.32Å; P258-Y274 WeakPolarHBondContact CA-O 3.18Å; F259-Y274 AromaticContact CE1-CD1 3.82Å; F259-Y274 HydrophobicContact CE1-CD1 3.82Å; F259-Y274 HydrophobicContact CE1-CG 4.19Å; F259-Y274 HydrophobicContact CE2-CG 4.45Å; F259-Y274 AromaticContact CZ-CD1 3.77Å; F259-Y274 HydrophobicContact CZ-CD1 3.77Å; F259-Y274 AromaticContact CZ-CG 3.86Å; F259-Y274 HydrophobicContact CZ-CG 3.86Å; F259-Y274 PolarHBondContact N-O 2.82Å; F259-Y274 VanDerWaalsContact N-O 3.13Å; F259-Y274 PolarHBondContact O-N 2.78Å; V261-Y274 HydrophobicContact CG2-CD2 4.48Å; Y274-N276 HydrophobicContact CD1-CB 4.48Å; Y274-N276 HydrophobicContact CE1-CB 4.26Å; Y274-M307 WeakPolarHBondContact CA-O 3.37Å; Y274-M307 HydrophobicContact CD2-CB 3.98Å; Y274-M307 HydrophobicContact CE2-CB 4.29Å; Y274-Q309 HydrophobicContact CE1-CB 4.18Å; Y274-Q309 WeakPolarHBondContact OH-CB 3.39Å; Y274-Q309 PolarHBondContact OH-OE1 3.16Å
275L95.4Very high84.8Confident1 Ų145.6 Ų45.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-121.1122.9176.5175.756.9000108.4C255 P258 I277 L295 V306 M307 C308 Q309C255-L275 WeakPolarHBondContact SG-CD1 3.43Å; P258-L275 HydrophobicContact CG-CD1 4.03Å; L275-I277 HydrophobicContact CD1-CG1 4.45Å; L275-I277 HydrophobicContact CD2-CD1 4.37Å; L275-I277 HydrophobicContact CG-CD1 4.37Å; L275-I277 HydrophobicContact CG-CG1 4.27Å; L275-L295 HydrophobicContact CD2-CD2 4.02Å; L275-V306 HydrophobicContact CB-CG1 4.06Å; L275-M307 PolarHBondContact N-O 3.26Å; L275-C308 HydrophobicContact CB-CB 4.35Å; L275-C308 HydrophobicContact CD2-CB 4.5Å; L275-C308 CarbonylContact O-C 3.48Å; L275-C308 VanDerWaalsContact O-CA 3.31Å; L275-C308 WeakPolarHBondContact O-CA 3.38Å; L275-Q309 PolarHBondContact O-N 2.65Å
276N96.5Very high86Confident1 Ų146.3 Ų46.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-116.5128.5-179.4-166.873.8000111.1C255 T256 Y274 D278 Q309 F311C255-N276 WeakPolarHBondContact CA-O 3.44Å; T256-N276 PolarHBondContact N-O 3.46Å; Y274-N276 HydrophobicContact CD1-CB 4.48Å; Y274-N276 HydrophobicContact CE1-CB 4.26Å; N276-D278 PolarHBondContact ND2-OD2 3.35Å; N276-Q309 CarbonylContact C-O 3.49Å; N276-Q309 WeakPolarHBondContact CA-O 3.46Å; N276-F311 WeakPolarHBondContact OD1-CE2 3.38Å
277I98.4Very high87.6Confident0 Ų038 Ų380%023%0.23CC..EExtended strand (participates in β ladder)trans-129.8110.2-179.3-50.5174.2000109.5C255 L275 V279 F291 H294 Q309 M310 F311C255-I277 HydrophobicContact CB-CG1 4.36Å; L275-I277 HydrophobicContact CD1-CG1 4.45Å; L275-I277 HydrophobicContact CD2-CD1 4.37Å; L275-I277 HydrophobicContact CG-CD1 4.37Å; L275-I277 HydrophobicContact CG-CG1 4.27Å; I277-V279 HydrophobicContact CG2-CG2 3.72Å; I277-F291 HydrophobicContact CD1-CD2 3.7Å; I277-F291 HydrophobicContact CD1-CE2 3.94Å; I277-H294 HydrophobicContact CD1-CB 3.82Å; I277-H294 HydrophobicContact CG1-CB 4.49Å; I277-Q309 PolarHBondContact N-O 3.19Å; I277-M310 HydrophobicContact CB-CG 4.47Å; I277-M310 CarbonylContact O-C 3.5Å; I277-M310 VanDerWaalsContact O-CA 3.24Å; I277-M310 WeakPolarHBondContact O-CA 3.31Å; I277-F311 PolarHBondContact O-N 2.92Å
278D98.6Very high89.2Confident0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-92.7117.2173.1-56-78.6000108.9V218 Q219 D220 S253 L254 N276 F280 F311V218-D278 VanDerWaalsContact O-CB 3.3Å; V218-D278 WeakPolarHBondContact O-CB 3.43Å; V218-D278 VanDerWaalsContact O-CG 3.29Å; Q219-D278 WeakPolarHBondContact CA-OD2 3.28Å; D220-D278 PolarHBondContact N-OD2 3.35Å; S253-D278 CarbonylContact C-O 3.59Å; S253-D278 WeakPolarHBondContact CA-O 3.18Å; L254-D278 HydrophobicContact CB-CB 4.42Å; L254-D278 PolarHBondContact N-O 2.83Å; L254-D278 PolarHBondContact O-N 3.08Å; N276-D278 PolarHBondContact ND2-OD2 3.35Å; D278-F280 HydrophobicContact CB-CE2 4.45Å; D278-F280 HydrophobicContact CB-CZ 4.39Å; D278-F311 WeakPolarHBondContact OD1-CD2 3.42Å
279V98.4Very high90.6Very high2 Ų233.9 Ų33.91%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-115.6134.5-178.3-167.60000110.6V251 I277 V287 M310 F311V251-V279 HydrophobicContact CG1-CG1 4.09Å; I277-V279 HydrophobicContact CG2-CG2 3.72Å; V279-V287 HydrophobicContact CG1-CB 4.32Å; V279-V287 HydrophobicContact CG1-CG1 4.04Å; V279-V287 HydrophobicContact CG1-CG2 3.84Å; V279-M310 HydrophobicContact CG2-CG 3.97Å; V279-M310 HydrophobicContact CG2-SD 4.15Å; V279-F311 WeakPolarHBondContact CA-O 3.46Å; V279-F311 WeakPolarHBondContact CB-O 3.45Å; V279-F311 PolarHBondContact N-O 3.37Å
280F97.9Very high92.2Very high4 Ų432 Ų322%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-122.2140.2179.8-54.3-72.1000110.1V211 L212 P213 V218 V251 A252 L254 D278V211-F280 HydrophobicContact CG1-CB 3.68Å; L212-F280 HydrophobicContact CD2-CB 4.37Å; L212-F280 HydrophobicContact CD2-CD1 3.96Å; L212-F280 HydrophobicContact CD2-CD2 3.76Å; L212-F280 HydrophobicContact CD2-CE1 4.13Å; L212-F280 HydrophobicContact CD2-CE2 3.93Å; L212-F280 HydrophobicContact CD2-CG 3.76Å; L212-F280 HydrophobicContact CD2-CZ 4.11Å; P213-F280 HydrophobicContact CG-CD1 4.31Å; V218-F280 WeakPolarHBondContact O-CZ 3.4Å; V251-F280 CarbonylContact C-O 3.54Å; V251-F280 WeakPolarHBondContact CA-O 3.36Å; V251-F280 VanDerWaalsContact CG1-O 3.24Å; V251-F280 WeakPolarHBondContact CG1-O 3.44Å; A252-F280 HydrophobicContact CB-CD2 4.44Å; A252-F280 PolarHBondContact N-O 2.8Å; A252-F280 PolarHBondContact O-N 2.97Å; L254-F280 HydrophobicContact CD1-CD2 3.96Å; L254-F280 HydrophobicContact CD1-CE2 3.59Å; D278-F280 HydrophobicContact CB-CE2 4.45Å; D278-F280 HydrophobicContact CB-CZ 4.39Å
281G95.9Very high93.7Very high11 Ų1127.6 Ų27.611%0.11314%0.138CC..  trans123.3174.6-175.600000111.4T250 M316T250-G281 WeakPolarHBondContact O-CA 3.22Å; G281-M316 WeakPolarHBondContact O-CE 3.36Å
282K94.8Very high94.8Very high168 Ų16822.9 Ų22.973%0.7311%0.113SC*.SBendtrans-128.8-6.8-171.6-63.4-179.2179.71770114.1I284K282-I284 PolarHBondContact O-N 2.95Å
283D94.3Very high95.1Very high79 Ų7924.3 Ų24.342%0.42212%0.123SC..  trans-83.9111176.1-172.7-64.6000109.6V251 G285 L286 V287V251-D283 HydrophobicContact CG2-CB 4.3Å; D283-G285 VanDerWaalsContact C-N 3.28Å; D283-G285 PolarHBondContact O-N 3.37Å; D283-G285 WeakPolarHBondContact OD1-CA 3.48Å; D283-G285 PolarHBondContact OD1-N 3.42Å; D283-L286 HydrophobicContact CB-CB 4.1Å; D283-L286 HydrophobicContact CB-CD1 3.93Å; D283-L286 HydrophobicContact CB-CG 4.16Å; D283-L286 PolarHBondContact O-N 3.12Å; D283-L286 PolarHBondContact OD1-N 3.05Å; D283-V287 WeakPolarHBondContact O-CB 3.35Å; D283-V287 WeakPolarHBondContact O-CG2 3.24Å; D283-V287 PolarHBondContact O-N 3.11Å
284I93.2Very high95.4Very high53 Ų5320.8 Ų20.827%0.27211%0.109SC..Hα-helixtrans-63.8-32.6-176-171.965.6000112.8L172 K282 L288 M316 P319 M320L172-I284 HydrophobicContact CD1-CB 4.36Å; L172-I284 HydrophobicContact CD1-CD1 4.23Å; L172-I284 HydrophobicContact CD1-CG1 3.31Å; L172-I284 HydrophobicContact CD1-CG2 4.23Å; K282-I284 PolarHBondContact O-N 2.95Å; I284-L288 WeakPolarHBondContact O-CB 3.22Å; I284-L288 PolarHBondContact O-N 2.78Å; I284-M316 HydrophobicContact CB-SD 4.33Å; I284-M316 HydrophobicContact CD1-CB 3.79Å; I284-M316 HydrophobicContact CD1-CG 3.82Å; I284-M316 HydrophobicContact CD1-SD 3.94Å; I284-P319 HydrophobicContact CD1-CB 4.31Å; I284-P319 HydrophobicContact CD1-CG 3.93Å; I284-P319 HydrophobicContact CG1-CB 4.43Å; I284-P319 HydrophobicContact CG1-CG 4.33Å; I284-M320 HydrophobicContact CD1-CG 3.79Å; I284-M320 HydrophobicContact CD1-SD 3.82Å
285G91.9Very high95.5Very high18 Ų1819.8 Ų19.819%0.18611%0.106CC..Hα-helixtrans-67.4-47.1178.700000110.8D283 L288 H289D283-G285 VanDerWaalsContact C-N 3.28Å; D283-G285 PolarHBondContact O-N 3.37Å; D283-G285 WeakPolarHBondContact OD1-CA 3.48Å; D283-G285 PolarHBondContact OD1-N 3.42Å; G285-L288 PolarHBondContact O-N 3.45Å; G285-H289 PolarHBondContact O-CD2 3.35Å; G285-H289 PolarHBondContact O-N 2.83Å; G285-H289 VanDerWaalsContact O-N 3.11Å
286L94.1Very high95.4Very high28 Ų2823.4 Ų23.415%0.14712%0.119CC..Hα-helixtrans-66.6-40.2176.6-66.5176.3000112.1L187 D244 T250 V251 D283 L288 H289 Q290L187-L286 HydrophobicContact CD2-CD2 3.74Å; D244-L286 HydrophobicContact CB-CD1 4.12Å; D244-L286 HydrophobicContact CB-CD2 4Å; D244-L286 HydrophobicContact CB-CG 4.5Å; D244-L286 WeakPolarHBondContact OD2-CD1 3.29Å; T250-L286 VanDerWaalsContact OG1-CD1 3.24Å; T250-L286 WeakPolarHBondContact OG1-CD1 3.3Å; V251-L286 HydrophobicContact CB-CB 4.05Å; V251-L286 HydrophobicContact CG1-CB 4.5Å; V251-L286 HydrophobicContact CG2-CB 3.5Å; V251-L286 VanDerWaalsContact CG2-CB 3.5Å; V251-L286 HydrophobicContact CG2-CD1 3.97Å; V251-L286 HydrophobicContact CG2-CG 4.4Å; D283-L286 HydrophobicContact CB-CB 4.1Å; D283-L286 HydrophobicContact CB-CD1 3.93Å; D283-L286 HydrophobicContact CB-CG 4.16Å; D283-L286 PolarHBondContact O-N 3.12Å; D283-L286 PolarHBondContact OD1-N 3.05Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 PolarHBondContact O-N 3.15Å; L286-H289 WeakPolarHBondContact O-CB 3.41Å; L286-H289 PolarHBondContact O-N 3.13Å; L286-H289 VanDerWaalsContact O-N 3.12Å; L286-Q290 WeakPolarHBondContact O-CG 3.13Å; L286-Q290 PolarHBondContact O-N 2.96Å
287V95.6Very high95.3Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-60.5-42.9174.9164.20000111.8V251 V279 D283 H289 Q290 F291 M316 M320V251-V287 HydrophobicContact CG1-CG2 3.86Å; V251-V287 HydrophobicContact CG2-CG2 4.31Å; V279-V287 HydrophobicContact CG1-CB 4.32Å; V279-V287 HydrophobicContact CG1-CG1 4.04Å; V279-V287 HydrophobicContact CG1-CG2 3.84Å; D283-V287 WeakPolarHBondContact O-CB 3.35Å; D283-V287 WeakPolarHBondContact O-CG2 3.24Å; D283-V287 PolarHBondContact O-N 3.11Å; V287-H289 VanDerWaalsContact C-N 3.29Å; V287-H289 PolarHBondContact O-N 3.41Å; V287-Q290 WeakPolarHBondContact O-CB 2.99Å; V287-Q290 PolarHBondContact O-N 3.5Å; V287-F291 PolarHBondContact O-N 2.75Å; V287-M316 HydrophobicContact CB-SD 4.06Å; V287-M316 HydrophobicContact CG1-SD 4.16Å; V287-M316 HydrophobicContact CG2-CE 3.85Å; V287-M316 HydrophobicContact CG2-SD 3.72Å; V287-M320 HydrophobicContact CG1-SD 4.28Å
288L94.6Very high95Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-60.2-41.6174173.961.9000111.5V170 L172 I284 G285 L286 F291 L292 M320 F323V170-L288 HydrophobicContact CG1-CD2 4.25Å; L172-L288 HydrophobicContact CD1-CD2 4.38Å; L172-L288 HydrophobicContact CD2-CD2 3.97Å; L172-L288 HydrophobicContact CG-CD2 3.7Å; I284-L288 WeakPolarHBondContact O-CB 3.22Å; I284-L288 PolarHBondContact O-N 2.78Å; G285-L288 PolarHBondContact O-N 3.45Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 PolarHBondContact O-N 3.15Å; L288-F291 PolarHBondContact O-N 2.96Å; L288-L292 HydrophobicContact CD1-CD1 3.96Å; L288-L292 HydrophobicContact CD1-CG 3.97Å; L288-L292 HydrophobicContact CG-CD1 3.99Å; L288-L292 HydrophobicContact CG-CG 4.4Å; L288-L292 WeakPolarHBondContact O-CG 3.45Å; L288-L292 PolarHBondContact O-N 3.32Å; L288-M320 HydrophobicContact CB-SD 4.33Å; L288-M320 HydrophobicContact CD1-CE 4.23Å; L288-M320 HydrophobicContact CD1-SD 4.41Å; L288-F323 HydrophobicContact CD1-CD1 3.51Å; L288-F323 HydrophobicContact CD1-CD2 4.18Å; L288-F323 HydrophobicContact CD1-CE1 3.31Å; L288-F323 HydrophobicContact CD1-CE2 3.99Å; L288-F323 HydrophobicContact CD1-CG 3.96Å; L288-F323 HydrophobicContact CD1-CZ 3.58Å; L288-F323 HydrophobicContact CD2-CD2 4.2Å; L288-F323 HydrophobicContact CD2-CE2 3.96Å; L288-F323 HydrophobicContact CD2-CZ 4.25Å; L288-F323 HydrophobicContact CG-CZ 4.48Å
289H92.3Very high94.6Very high16 Ų1629.3 Ų29.37%0.07414%0.143CC..Hα-helixtrans-64.9-42.7179.1-83.9-122000112.3V170 L187 P190 G285 L286 V287 F291 L292 S293V170-H289 PolarHBondContact O-NE2 3.29Å; L187-H289 WeakPolarHBondContact CB-CE1 3.35Å; L187-H289 VanDerWaalsContact CD1-NE2 3.34Å; L187-H289 WeakPolarHBondContact CD1-NE2 3.39Å; P190-H289 HydrophobicContact CG-CB 4.17Å; G285-H289 PolarHBondContact O-CD2 3.35Å; G285-H289 PolarHBondContact O-N 2.83Å; G285-H289 VanDerWaalsContact O-N 3.11Å; L286-H289 WeakPolarHBondContact O-CB 3.41Å; L286-H289 PolarHBondContact O-N 3.13Å; L286-H289 VanDerWaalsContact O-N 3.12Å; V287-H289 VanDerWaalsContact C-N 3.29Å; V287-H289 PolarHBondContact O-N 3.41Å; H289-F291 VanDerWaalsContact C-N 3.34Å; H289-F291 PolarHBondContact O-N 2.94Å; H289-L292 PolarHBondContact O-N 2.83Å; H289-S293 WeakPolarHBondContact O-CB 3.32Å; H289-S293 PolarHBondContact O-N 2.94Å
290Q95.6Very high94Very high1 Ų133.5 Ų33.51%0.00517%0.169CC..Hα-helixtrans-55.4-50.3172.3-66.5-66.8-21.200110.9V243 D244 V251 S253 L286 V287 L292 S293 H294V243-Q290 PolarHBondContact O-NE2 3.26Å; D244-Q290 VanDerWaalsContact N-NE2 3.16Å; V251-Q290 HydrophobicContact CG1-CG 3.6Å; S253-Q290 PolarHBondContact OG-OE1 3.45Å; L286-Q290 WeakPolarHBondContact O-CG 3.13Å; L286-Q290 PolarHBondContact O-N 2.96Å; V287-Q290 WeakPolarHBondContact O-CB 2.99Å; V287-Q290 PolarHBondContact O-N 3.5Å; Q290-L292 PolarHBondContact O-N 2.88Å; Q290-S293 WeakPolarHBondContact O-CB 3.37Å; Q290-S293 PolarHBondContact O-N 2.95Å; Q290-H294 PolarHBondContact O-CD2 2.86Å; Q290-H294 VanDerWaalsContact O-CD2 3.24Å; Q290-H294 PolarHBondContact O-N 3.05Å; Q290-H294 VanDerWaalsContact O-N 3.13Å
291F96.3Very high93.6Very high2 Ų237.5 Ų37.51%0.00919%0.193CC..Hα-helixtrans-59.4-50.8179.9176.2-137.5000113I277 V287 L288 H289 S293 H294 L295 M310 M320 L328I277-F291 HydrophobicContact CD1-CD2 3.7Å; I277-F291 HydrophobicContact CD1-CE2 3.94Å; V287-F291 PolarHBondContact O-N 2.75Å; L288-F291 PolarHBondContact O-N 2.96Å; H289-F291 VanDerWaalsContact C-N 3.34Å; H289-F291 PolarHBondContact O-N 2.94Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 2.89Å; F291-H294 PolarHBondContact O-N 3.46Å; F291-L295 HydrophobicContact CD1-CD1 4.15Å; F291-L295 HydrophobicContact CD2-CD1 4.1Å; F291-L295 HydrophobicContact CD2-CD2 4.35Å; F291-L295 HydrophobicContact CD2-CG 3.85Å; F291-L295 HydrophobicContact CE1-CD1 3.67Å; F291-L295 HydrophobicContact CE1-CG 4.46Å; F291-L295 HydrophobicContact CE2-CD1 3.64Å; F291-L295 HydrophobicContact CE2-CD2 3.71Å; F291-L295 HydrophobicContact CE2-CG 3.58Å; F291-L295 HydrophobicContact CG-CD1 4.38Å; F291-L295 HydrophobicContact CG-CG 4.46Å; F291-L295 HydrophobicContact CZ-CD1 3.43Å; F291-L295 VanDerWaalsContact CZ-CD1 3.43Å; F291-L295 HydrophobicContact CZ-CD2 4.16Å; F291-L295 HydrophobicContact CZ-CG 3.94Å; F291-L295 WeakPolarHBondContact O-CG 3.5Å; F291-L295 PolarHBondContact O-N 3.47Å; F291-M310 HydrophobicContact CB-CE 3.46Å; F291-M310 VanDerWaalsContact CB-CE 3.46Å; F291-M310 HydrophobicContact CD1-CE 3.64Å; F291-M310 HydrophobicContact CD2-CE 2.94Å; F291-M310 HydrophobicContact CE1-CE 3.99Å; F291-M310 HydrophobicContact CE2-CE 3.34Å; F291-M310 HydrophobicContact CG-CE 3.07Å; F291-M310 HydrophobicContact CZ-CE 3.83Å; F291-M320 HydrophobicContact CB-CE 4.09Å; F291-M320 HydrophobicContact CD1-CE 3.66Å; F291-M320 HydrophobicContact CE1-CE 4.33Å; F291-M320 HydrophobicContact CG-CE 4.14Å; F291-L328 HydrophobicContact CE1-CD1 3.79Å; F291-L328 HydrophobicContact CZ-CD1 4.4Å
292L95.1Very high93.4Very high1 Ų137.4 Ų37.41%0.00519%0.191CC..Hα-helixtrans-62.9-34.8-179.9-70.6175.3000112L163 V170 L288 H289 Q290 R296 F323 L328L163-L292 HydrophobicContact CD2-CD2 3.8Å; V170-L292 HydrophobicContact CB-CD1 3.84Å; V170-L292 HydrophobicContact CG1-CD1 4.33Å; V170-L292 HydrophobicContact CG2-CD1 4.02Å; L288-L292 HydrophobicContact CD1-CD1 3.96Å; L288-L292 HydrophobicContact CD1-CG 3.97Å; L288-L292 HydrophobicContact CG-CD1 3.99Å; L288-L292 HydrophobicContact CG-CG 4.4Å; L288-L292 WeakPolarHBondContact O-CG 3.45Å; L288-L292 PolarHBondContact O-N 3.32Å; H289-L292 PolarHBondContact O-N 2.83Å; Q290-L292 PolarHBondContact O-N 2.88Å; L292-R296 WeakPolarHBondContact O-CB 3.14Å; L292-R296 VanDerWaalsContact O-CG 3.26Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.89Å; L292-F323 HydrophobicContact CD1-CZ 4.22Å; L292-F323 HydrophobicContact CD2-CE1 3.99Å; L292-F323 HydrophobicContact CD2-CZ 4.05Å; L292-L328 HydrophobicContact CD2-CD2 4.06Å
293S94.8Very high93.2Very high29 Ų2936.4 Ų36.420%0.20319%0.186CC..Hα-helixtrans-61.2-49.2175.5-169.90000111.4M242 H289 Q290 F291 R296 R297M242-S293 PolarHBondContact SD-OG 3.12Å; M242-S293 VanDerWaalsContact SD-OG 3.37Å; H289-S293 WeakPolarHBondContact O-CB 3.32Å; H289-S293 PolarHBondContact O-N 2.94Å; Q290-S293 WeakPolarHBondContact O-CB 3.37Å; Q290-S293 PolarHBondContact O-N 2.95Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 2.89Å; S293-R296 PolarHBondContact O-N 2.81Å; S293-R297 WeakPolarHBondContact O-CB 3.29Å; S293-R297 PolarHBondContact O-N 3.04Å
294H96.5Very high93Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-62.4-45.7176-73.2-52.1000112.6M242 S253 C255 I277 Q290 F291 R296 R297 H298M242-H294 WeakPolarHBondContact CE-ND1 3.39Å; M242-H294 PolarHBondContact SD-CE1 3.25Å; S253-H294 PolarHBondContact OG-CD2 3.12Å; S253-H294 PolarHBondContact OG-NE2 3.03Å; C255-H294 HydrophobicContact CB-CB 4.4Å; C255-H294 WeakPolarHBondContact CB-CE1 3.5Å; C255-H294 VanDerWaalsContact CB-ND1 3.25Å; C255-H294 WeakPolarHBondContact CB-ND1 3.35Å; I277-H294 HydrophobicContact CD1-CB 3.82Å; I277-H294 HydrophobicContact CG1-CB 4.49Å; Q290-H294 PolarHBondContact O-CD2 2.86Å; Q290-H294 VanDerWaalsContact O-CD2 3.24Å; Q290-H294 PolarHBondContact O-N 3.05Å; Q290-H294 VanDerWaalsContact O-N 3.13Å; F291-H294 PolarHBondContact O-N 3.46Å; H294-R296 PolarHBondContact O-N 2.87Å; H294-R297 PolarHBondContact O-N 2.95Å; H294-H298 PolarHBondContact O-CD2 2.9Å; H294-H298 PolarHBondContact O-N 3.45Å
295L95.7Very high92.9Very high2 Ų234.9 Ų34.91%0.0118%0.181CC..Hα-helixtrans-58.9-47.5176.9-71.5-173.9000111.8F154 L159 L163 L275 F291 R297 H298 A299 L328F154-L295 HydrophobicContact CE1-CD2 4.25Å; F154-L295 HydrophobicContact CZ-CD2 3.98Å; L159-L295 HydrophobicContact CD2-CB 4.45Å; L159-L295 HydrophobicContact CD2-CD1 4.19Å; L159-L295 HydrophobicContact CD2-CD2 4.08Å; L159-L295 HydrophobicContact CD2-CG 4.49Å; L163-L295 HydrophobicContact CD1-CB 3.97Å; L275-L295 HydrophobicContact CD2-CD2 4.02Å; F291-L295 HydrophobicContact CD1-CD1 4.15Å; F291-L295 HydrophobicContact CD2-CD1 4.1Å; F291-L295 HydrophobicContact CD2-CD2 4.35Å; F291-L295 HydrophobicContact CD2-CG 3.85Å; F291-L295 HydrophobicContact CE1-CD1 3.67Å; F291-L295 HydrophobicContact CE1-CG 4.46Å; F291-L295 HydrophobicContact CE2-CD1 3.64Å; F291-L295 HydrophobicContact CE2-CD2 3.71Å; F291-L295 HydrophobicContact CE2-CG 3.58Å; F291-L295 HydrophobicContact CG-CD1 4.38Å; F291-L295 HydrophobicContact CG-CG 4.46Å; F291-L295 HydrophobicContact CZ-CD1 3.43Å; F291-L295 VanDerWaalsContact CZ-CD1 3.43Å; F291-L295 HydrophobicContact CZ-CD2 4.16Å; F291-L295 HydrophobicContact CZ-CG 3.94Å; F291-L295 WeakPolarHBondContact O-CG 3.5Å; F291-L295 PolarHBondContact O-N 3.47Å; L295-R297 VanDerWaalsContact C-N 3.29Å; L295-R297 PolarHBondContact O-N 3.12Å; L295-H298 PolarHBondContact O-N 3.44Å; L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.6Å; L295-L328 HydrophobicContact CD1-CD1 3.78Å
296R93.8Very high93Very high76 Ų7634 Ų3429%0.28717%0.172SC..Hα-helixtrans-61.8-39.6178.4-74.3178.4-172.5123.3-3.1111.9L163 G167 L292 S293 H294L163-R296 HydrophobicContact CB-CG 4.27Å; L163-R296 HydrophobicContact CD1-CG 4Å; L163-R296 HydrophobicContact CD2-CG 4.3Å; L163-R296 HydrophobicContact CG-CG 4.43Å; G167-R296 PolarHBondContact O-NH2 3.32Å; L292-R296 WeakPolarHBondContact O-CB 3.14Å; L292-R296 VanDerWaalsContact O-CG 3.26Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.89Å; S293-R296 PolarHBondContact O-N 2.81Å; H294-R296 PolarHBondContact O-N 2.87Å
297R93.1Very high93Very high113 Ų11332.9 Ų32.943%0.42617%0.166SC..Hα-helixtrans-63.4-51.9179-177.1171.5172.383.7-8.2111.4D240 S293 H294 L295 T300D240-R297 IonicContact OD1-CZ 3.52Å; D240-R297 IonicContact OD1-NE 2.63Å; D240-R297 PolarHBondContact OD1-NE 3.17Å; D240-R297 VanDerWaalsContact OD1-NE 3.13Å; D240-R297 IonicContact OD1-NH2 2.74Å; D240-R297 PolarHBondContact OD1-NH2 3.04Å; D240-R297 WeakPolarHBondContact OD2-CD 3.45Å; D240-R297 IonicContact OD2-CZ 2.8Å; D240-R297 IonicContact OD2-NE 2.73Å; D240-R297 PolarHBondContact OD2-NE 3.05Å; D240-R297 IonicContact OD2-NH2 3.17Å; S293-R297 WeakPolarHBondContact O-CB 3.29Å; S293-R297 PolarHBondContact O-N 3.04Å; H294-R297 PolarHBondContact O-N 2.95Å; L295-R297 VanDerWaalsContact C-N 3.29Å; L295-R297 PolarHBondContact O-N 3.12Å; R297-T300 PolarHBondContact O-OG1 3.11Å
298H93.6Very high93.1Very high5 Ų533 Ų332%0.02317%0.167CC..Hα-helixtrans-83.5-27.4-174.8-63.6-64.8000114.3D240 C255 P258 H294 L295 T300 T301 L302D240-H298 IonicContact OD2-CE1 3.1Å; D240-H298 PolarHBondContact OD2-CE1 3.19Å; D240-H298 IonicContact OD2-NE2 2.72Å; D240-H298 PolarHBondContact OD2-NE2 2.86Å; C255-H298 VanDerWaalsContact SG-CD2 3.55Å; C255-H298 PolarHBondContact SG-NE2 3.18Å; P258-H298 WeakPolarHBondContact CD-ND1 3.4Å; P258-H298 HydrophobicContact CG-CB 3.98Å; H294-H298 PolarHBondContact O-CD2 2.9Å; H294-H298 PolarHBondContact O-N 3.45Å; L295-H298 PolarHBondContact O-N 3.44Å; H298-T300 PolarHBondContact O-N 2.99Å; H298-T301 PolarHBondContact O-N 3.03Å; H298-T301 PolarHBondContact O-OG1 3.39Å; H298-T301 VanDerWaalsContact O-OG1 3.12Å; H298-L302 HydrophobicContact CB-CD1 3.95Å; H298-L302 HydrophobicContact CB-CG 4.5Å; H298-L302 VanDerWaalsContact O-CG 3.28Å; H298-L302 WeakPolarHBondContact O-CG 3.26Å; H298-L302 PolarHBondContact O-N 2.93Å; H298-L302 VanDerWaalsContact O-N 3.08Å
299A88.5Confident93.2Very high7 Ų733.6 Ų33.66%0.05817%0.169CC..THydrogen-bonded Turntrans-60.9-18.5178.700000113.3K160 L163 L295K160-A299 HydrophobicContact CB-CB 4.43Å; L163-A299 HydrophobicContact CD1-CB 4.28Å; L295-A299 WeakPolarHBondContact O-CB 3.45Å; L295-A299 PolarHBondContact O-N 2.6Å
300T86.3Confident93.4Very high90 Ų9032.9 Ų32.955%0.55217%0.166SC*.THydrogen-bonded Turntrans-74.4-28176.362.10000113.9R297 H298R297-T300 PolarHBondContact O-OG1 3.11Å; H298-T300 PolarHBondContact O-N 2.99Å
301T89.5Confident93.6Very high88 Ų8832.9 Ų32.954%0.5417%0.166SC..THydrogen-bonded Turntrans-102.9-26.2-177.358.10000112.6H298H298-T301 PolarHBondContact O-N 3.03Å; H298-T301 PolarHBondContact O-OG1 3.39Å; H298-T301 VanDerWaalsContact O-OG1 3.12Å
302L91.7Very high93.6Very high10 Ų1032.8 Ų32.85%0.05217%0.166CC..  trans-71.1149.5177.7-69.8173.2000112.3A156 P258 Y273 H298 V306A156-L302 HydrophobicContact CB-CB 3.78Å; P258-L302 HydrophobicContact CB-CD1 4.41Å; P258-L302 HydrophobicContact CB-CD2 3.62Å; P258-L302 HydrophobicContact CB-CG 4.41Å; P258-L302 HydrophobicContact CG-CD1 4.1Å; P258-L302 HydrophobicContact CG-CD2 3.92Å; P258-L302 HydrophobicContact CG-CG 4.19Å; Y273-L302 HydrophobicContact CD1-CD2 3.59Å; Y273-L302 HydrophobicContact CD2-CD2 4.04Å; Y273-L302 HydrophobicContact CE1-CD2 4.23Å; Y273-L302 HydrophobicContact CG-CD2 3.48Å; Y273-L302 VanDerWaalsContact CG-CD2 3.48Å; H298-L302 HydrophobicContact CB-CD1 3.95Å; H298-L302 HydrophobicContact CB-CG 4.5Å; H298-L302 VanDerWaalsContact O-CG 3.28Å; H298-L302 WeakPolarHBondContact O-CG 3.26Å; H298-L302 PolarHBondContact O-N 2.93Å; H298-L302 VanDerWaalsContact O-N 3.08Å; L302-V306 HydrophobicContact CB-CG2 4.24Å; L302-V306 HydrophobicContact CD1-CG1 4.16Å; L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.49Å
303K90.1Very high93.7Very high147 Ų14735 Ų3564%0.63918%0.178SC*.  trans-140.9146.1175.2-64.6-176.2-179.4179.70109.8E157 Y273E157-K303 WeakPolarHBondContact OE1-CA 3.37Å; Y273-K303 WeakPolarHBondContact CD2-O 3.15Å; Y273-K303 WeakPolarHBondContact CE2-O 3.36Å
304G90.6Very high93.8Very high22 Ų2235.2 Ų35.223%0.22718%0.178CC..SBendtrans72.4-145.9177.100000112.8N155 A156 E157N155-G304 CarbonylContact C-O 3.58Å; N155-G304 WeakPolarHBondContact CA-O 3.03Å; N155-G304 PolarHBondContact ND2-O 3.34Å; A156-G304 PolarHBondContact N-O 2.83Å; E157-G304 PolarHBondContact OE1-N 2.83Å; E157-G304 PolarHBondContact OE2-N 2.96Å
305H92.1Very high93.9Very high78 Ų7839.9 Ų39.936%0.36121%0.209SC..EExtended strand (participates in β ladder)trans-80.5137.4-173-68.1-68.2000112.1V268 T272 Y273V268-H305 HydrophobicContact CG1-CB 4.14Å; V268-H305 PolarHBondContact O-CD2 3.14Å; T272-H305 CarbonylContact C-O 3.51Å; T272-H305 WeakPolarHBondContact CA-O 3.46Å; Y273-H305 PolarHBondContact N-O 2.92Å
306V93.9Very high93.9Very high0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-127.5130.7177.4-174.50000109R153 F154 A156 Y273 L275 L302R153-V306 WeakPolarHBondContact CA-O 3.39Å; F154-V306 HydrophobicContact CD2-CB 3.86Å; F154-V306 HydrophobicContact CD2-CG2 4.2Å; F154-V306 HydrophobicContact CE1-CG1 4.43Å; F154-V306 HydrophobicContact CE2-CB 3.42Å; F154-V306 VanDerWaalsContact CE2-CB 3.42Å; F154-V306 HydrophobicContact CE2-CG1 3.74Å; F154-V306 HydrophobicContact CE2-CG2 3.73Å; F154-V306 HydrophobicContact CZ-CB 3.81Å; F154-V306 HydrophobicContact CZ-CG1 3.63Å; F154-V306 HydrophobicContact CZ-CG2 4.48Å; F154-V306 PolarHBondContact N-O 2.69Å; F154-V306 VanDerWaalsContact N-O 3.12Å; F154-V306 PolarHBondContact O-N 3.43Å; A156-V306 HydrophobicContact CB-CG2 4Å; Y273-V306 CarbonylContact O-C 3.46Å; Y273-V306 WeakPolarHBondContact O-CA 3.24Å; L275-V306 HydrophobicContact CB-CG1 4.06Å; L302-V306 HydrophobicContact CB-CG2 4.24Å; L302-V306 HydrophobicContact CD1-CG1 4.16Å; L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.49Å
307M94.1Very high94.1Very high4 Ų437.7 Ų37.72%0.0220%0.201CC..EExtended strand (participates in β ladder)trans-100110.1166.8-67.8-67.6-55.100107.5L45 L151 R153 P265 T272 Y273 Y274 L275 V333L45-M307 HydrophobicContact CD1-CE 3.86Å; L45-M307 HydrophobicContact CD2-CB 4.46Å; L45-M307 HydrophobicContact CD2-CG 4.11Å; L151-M307 HydrophobicContact CD1-CE 3.71Å; L151-M307 HydrophobicContact CD2-CE 3.79Å; L151-M307 HydrophobicContact CG-CE 3.78Å; R153-M307 HydrophobicContact CB-SD 3.79Å; R153-M307 HydrophobicContact CG-SD 3.83Å; P265-M307 HydrophobicContact CG-CG 4.23Å; P265-M307 HydrophobicContact CG-SD 4.42Å; T272-M307 HydrophobicContact CG2-CB 4.26Å; T272-M307 HydrophobicContact CG2-CG 3.52Å; Y273-M307 PolarHBondContact O-N 2.82Å; Y274-M307 WeakPolarHBondContact CA-O 3.37Å; Y274-M307 HydrophobicContact CD2-CB 3.98Å; Y274-M307 HydrophobicContact CE2-CB 4.29Å; L275-M307 PolarHBondContact N-O 3.26Å; M307-V333 HydrophobicContact CE-CB 4.34Å; M307-V333 HydrophobicContact CE-CG1 4.03Å; M307-V333 HydrophobicContact CE-CG2 3.77Å; M307-V333 HydrophobicContact SD-CG2 4.27Å
308C96.4Very high94.3Very high1 Ų138.7 Ų38.71%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-105.4116.1179.9-175.50000109.4V152 F154 L275V152-C308 HydrophobicContact CG2-CB 3.86Å; V152-C308 PolarHBondContact N-O 2.8Å; V152-C308 PolarHBondContact O-N 2.93Å; F154-C308 HydrophobicContact CE1-CB 3.55Å; F154-C308 HydrophobicContact CZ-CB 4.04Å; L275-C308 HydrophobicContact CB-CB 4.35Å; L275-C308 HydrophobicContact CD2-CB 4.5Å; L275-C308 CarbonylContact O-C 3.48Å; L275-C308 VanDerWaalsContact O-CA 3.31Å; L275-C308 WeakPolarHBondContact O-CA 3.38Å
309Q96.5Very high94.4Very high13 Ų1340.4 Ų40.46%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-103.4127.2173.5-176.7162.173.700109.4I149 L150 L151 Y274 L275 N276 I277 F311I149-Q309 HydrophobicContact CG2-CG 3.97Å; L150-Q309 WeakPolarHBondContact O-CA 3.48Å; L151-Q309 HydrophobicContact CD1-CB 3.96Å; Y274-Q309 HydrophobicContact CE1-CB 4.18Å; Y274-Q309 WeakPolarHBondContact OH-CB 3.39Å; Y274-Q309 PolarHBondContact OH-OE1 3.16Å; L275-Q309 PolarHBondContact O-N 2.65Å; N276-Q309 CarbonylContact C-O 3.49Å; N276-Q309 WeakPolarHBondContact CA-O 3.46Å; I277-Q309 PolarHBondContact N-O 3.19Å; Q309-F311 VanDerWaalsContact CD-CZ 3.44Å; Q309-F311 HydrophobicContact CG-CD2 4.47Å; Q309-F311 HydrophobicContact CG-CE1 4.44Å; Q309-F311 HydrophobicContact CG-CE2 3.82Å; Q309-F311 HydrophobicContact CG-CZ 3.77Å
310M98Very high94.9Very high2 Ų240.1 Ų40.11%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-117.4136172.6-174.5-167.6-61.500110.6L150 I277 V279 F291 L312 M320L150-M310 HydrophobicContact CB-CB 4.35Å; L150-M310 PolarHBondContact N-O 3.03Å; L150-M310 PolarHBondContact O-N 3.39Å; I277-M310 HydrophobicContact CB-CG 4.47Å; I277-M310 CarbonylContact O-C 3.5Å; I277-M310 VanDerWaalsContact O-CA 3.24Å; I277-M310 WeakPolarHBondContact O-CA 3.31Å; V279-M310 HydrophobicContact CG2-CG 3.97Å; V279-M310 HydrophobicContact CG2-SD 4.15Å; F291-M310 HydrophobicContact CB-CE 3.46Å; F291-M310 VanDerWaalsContact CB-CE 3.46Å; F291-M310 HydrophobicContact CD1-CE 3.64Å; F291-M310 HydrophobicContact CD2-CE 2.94Å; F291-M310 HydrophobicContact CE1-CE 3.99Å; F291-M310 HydrophobicContact CE2-CE 3.34Å; F291-M310 HydrophobicContact CG-CE 3.07Å; F291-M310 HydrophobicContact CZ-CE 3.83Å; M310-L312 HydrophobicContact CB-CD2 4.31Å; M310-L312 HydrophobicContact CG-CD2 3.78Å; M310-L312 HydrophobicContact SD-CB 4.33Å; M310-L312 HydrophobicContact SD-CD2 3.32Å; M310-L312 WeakPolarHBondContact SD-CD2 3.26Å; M310-L312 HydrophobicContact SD-CG 4.41Å; M310-M320 HydrophobicContact CE-CE 3.82Å; M310-M320 HydrophobicContact SD-CE 4.03Å
311F98.4Very high95.4Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-107.4132168.7-58.9-83.8000109.9Q147 G148 I149 W221 N276 I277 D278 V279 Q309 Q339Q147-F311 HydrophobicContact CB-CB 4.09Å; Q147-F311 HydrophobicContact CB-CD1 4.47Å; G148-F311 WeakPolarHBondContact O-CA 3.23Å; I149-F311 HydrophobicContact CB-CE1 4.39Å; I149-F311 HydrophobicContact CD1-CE1 3.94Å; I149-F311 HydrophobicContact CG1-CD1 3.92Å; I149-F311 HydrophobicContact CG1-CE1 3.67Å; I149-F311 HydrophobicContact CG2-CE1 4.16Å; W221-F311 HydrophobicContact CD2-CZ 4.13Å; W221-F311 AromaticContact CE2-CZ 3.46Å; W221-F311 VanDerWaalsContact CE2-CZ 3.46Å; W221-F311 HydrophobicContact CH2-CE1 4.18Å; W221-F311 HydrophobicContact CH2-CZ 4.3Å; W221-F311 AromaticContact CZ2-CE1 3.88Å; W221-F311 HydrophobicContact CZ2-CE1 3.88Å; W221-F311 AromaticContact CZ2-CZ 3.57Å; W221-F311 HydrophobicContact CZ2-CZ 3.57Å; W221-F311 AromaticContact NE1-CZ 3.49Å; N276-F311 WeakPolarHBondContact OD1-CE2 3.38Å; I277-F311 PolarHBondContact O-N 2.92Å; D278-F311 WeakPolarHBondContact OD1-CD2 3.42Å; V279-F311 WeakPolarHBondContact CA-O 3.46Å; V279-F311 WeakPolarHBondContact CB-O 3.45Å; V279-F311 PolarHBondContact N-O 3.37Å; Q309-F311 VanDerWaalsContact CD-CZ 3.44Å; Q309-F311 HydrophobicContact CG-CD2 4.47Å; Q309-F311 HydrophobicContact CG-CE1 4.44Å; Q309-F311 HydrophobicContact CG-CE2 3.82Å; Q309-F311 HydrophobicContact CG-CZ 3.77Å; F311-Q339 HydrophobicContact CD1-CB 3.92Å; F311-Q339 HydrophobicContact CD1-CG 4.48Å; F311-Q339 HydrophobicContact CE1-CB 3.84Å; F311-Q339 HydrophobicContact CE1-CG 4.21Å; F311-Q339 VanDerWaalsContact CE1-NE2 3.33Å
312L98.1Very high95.8Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-155.4167.5-171.659103.7000110.7Q147 G148 L150 M310 M316 W317 M320Q147-L312 CarbonylContact C-O 3.57Å; Q147-L312 WeakPolarHBondContact CA-O 3.49Å; G148-L312 PolarHBondContact N-O 3.41Å; G148-L312 PolarHBondContact O-N 2.83Å; G148-L312 VanDerWaalsContact O-N 3.15Å; L150-L312 HydrophobicContact CB-CD2 4.03Å; L150-L312 HydrophobicContact CD2-CD2 4.45Å; M310-L312 HydrophobicContact CB-CD2 4.31Å; M310-L312 HydrophobicContact CG-CD2 3.78Å; M310-L312 HydrophobicContact SD-CB 4.33Å; M310-L312 HydrophobicContact SD-CD2 3.32Å; M310-L312 WeakPolarHBondContact SD-CD2 3.26Å; M310-L312 HydrophobicContact SD-CG 4.41Å; L312-M316 HydrophobicContact CD1-CB 3.44Å; L312-M316 VanDerWaalsContact CD1-CB 3.44Å; L312-W317 HydrophobicContact CD1-CB 4.23Å; L312-W317 VanDerWaalsContact CD1-N 3.3Å; L312-M320 HydrophobicContact CD2-CB 4.45Å; L312-M320 HydrophobicContact CD2-CG 4.41Å
313D97.2Very high96Very high49 Ų4935.1 Ų35.126%0.26218%0.182SC..  trans-58.9127177.3-165.553.6000110.6P315 M316D313-P315 VanDerWaalsContact C-N 3.35Å; D313-P315 WeakPolarHBondContact O-CD 3.4Å; D313-P315 WeakPolarHBondContact OD2-CD 3.37Å; D313-M316 HydrophobicContact CB-CE 3.23Å; D313-M316 WeakPolarHBondContact O-CB 3.4Å; D313-M316 PolarHBondContact O-N 2.97Å
314P96.8Very high96.3Very high32 Ų3228.1 Ų28.121%0.20815%0.152CC..G310 helixtrans-40.9-45.4-173.7-35.438.8000117.5M316 W317 Y336P314-M316 PolarHBondContact O-N 3.18Å; P314-W317 WeakPolarHBondContact O-CB 3.28Å; P314-W317 PolarHBondContact O-N 3.28Å; P314-Y336 WeakPolarHBondContact CB-OH 3.34Å
315P96.8Very high96.6Very high98 Ų9829.4 Ų29.464%0.63616%0.157SC*.G310 helixtrans-62.9-23.1179.6-20.635.3000114.4D313 W317D313-P315 VanDerWaalsContact C-N 3.35Å; D313-P315 WeakPolarHBondContact O-CD 3.4Å; D313-P315 WeakPolarHBondContact OD2-CD 3.37Å; P315-W317 VanDerWaalsContact C-N 3.32Å
316M96.4Very high96.7Very high9 Ų931.6 Ų31.64%0.04417%0.167CC..G310 helixtrans-81.7-8.6-179.7-67.1-169.1-78.200113.3G281 I284 V287 L312 D313 P314 K318 P319 M320G281-M316 WeakPolarHBondContact O-CE 3.36Å; I284-M316 HydrophobicContact CB-SD 4.33Å; I284-M316 HydrophobicContact CD1-CB 3.79Å; I284-M316 HydrophobicContact CD1-CG 3.82Å; I284-M316 HydrophobicContact CD1-SD 3.94Å; V287-M316 HydrophobicContact CB-SD 4.06Å; V287-M316 HydrophobicContact CG1-SD 4.16Å; V287-M316 HydrophobicContact CG2-CE 3.85Å; V287-M316 HydrophobicContact CG2-SD 3.72Å; L312-M316 HydrophobicContact CD1-CB 3.44Å; L312-M316 VanDerWaalsContact CD1-CB 3.44Å; D313-M316 HydrophobicContact CB-CE 3.23Å; D313-M316 WeakPolarHBondContact O-CB 3.4Å; D313-M316 PolarHBondContact O-N 2.97Å; P314-M316 PolarHBondContact O-N 3.18Å; M316-K318 PolarHBondContact O-N 3.44Å; M316-P319 WeakPolarHBondContact O-CD 3.47Å; M316-P319 WeakPolarHBondContact O-CG 3.34Å; M316-M320 WeakPolarHBondContact O-CB 3.37Å; M316-M320 VanDerWaalsContact O-CG 3.27Å; M316-M320 WeakPolarHBondContact O-CG 3.38Å; M316-M320 PolarHBondContact O-N 2.8Å; M316-M320 VanDerWaalsContact O-N 3.14Å
317W97.8Very high96.7Very high23 Ų2333 Ų339%0.08718%0.176CC..Hα-helixtrans-61.3-48.2-175.1-178.598.7000112.4I149 L150 L312 P314 P315 M320 A321 L332 Y336I149-W317 VanDerWaalsContact O-CD1 3.32Å; I149-W317 PolarHBondContact O-NE1 3.14Å; L150-W317 HydrophobicContact CD1-CZ2 4.44Å; L312-W317 HydrophobicContact CD1-CB 4.23Å; L312-W317 VanDerWaalsContact CD1-N 3.3Å; P314-W317 WeakPolarHBondContact O-CB 3.28Å; P314-W317 PolarHBondContact O-N 3.28Å; P315-W317 VanDerWaalsContact C-N 3.32Å; W317-M320 PolarHBondContact O-N 2.95Å; W317-A321 HydrophobicContact CD2-CB 4.38Å; W317-A321 HydrophobicContact CE3-CB 4.23Å; W317-A321 HydrophobicContact CH2-CB 4.09Å; W317-A321 HydrophobicContact CZ2-CB 4.27Å; W317-A321 HydrophobicContact CZ3-CB 4.08Å; W317-A321 WeakPolarHBondContact O-CB 3.27Å; W317-A321 PolarHBondContact O-N 3.3Å; W317-L332 HydrophobicContact CH2-CD2 4.1Å; W317-L332 HydrophobicContact CZ2-CD1 4.26Å; W317-L332 HydrophobicContact CZ2-CD2 4.29Å; W317-Y336 HydrophobicContact CB-CD2 3.75Å; W317-Y336 HydrophobicContact CB-CE2 3.81Å; W317-Y336 AromaticContact CD1-CD2 3.8Å; W317-Y336 AromaticContact CD2-CD2 3.57Å; W317-Y336 HydrophobicContact CD2-CD2 3.57Å; W317-Y336 HydrophobicContact CD2-CG 4.34Å; W317-Y336 AromaticContact CE3-CD2 3.98Å; W317-Y336 HydrophobicContact CE3-CD2 3.98Å; W317-Y336 HydrophobicContact CE3-CG 4.5Å; W317-Y336 AromaticContact CG-CD2 3.43Å; W317-Y336 HydrophobicContact CG-CD2 3.43Å; W317-Y336 VanDerWaalsContact CG-CD2 3.43Å; W317-Y336 AromaticContact CG-CE2 3.96Å; W317-Y336 HydrophobicContact CG-CE2 3.96Å
318K97.6Very high96.7Very high135 Ų13533 Ų3359%0.58718%0.176SC*.Hα-helixtrans-61.4-53.8-177.4-176.4177.4176.1-178.50112.6M316 M320 A321 E322M316-K318 PolarHBondContact O-N 3.44Å; K318-M320 VanDerWaalsContact C-N 3.27Å; K318-M320 PolarHBondContact O-N 3Å; K318-A321 PolarHBondContact O-N 3.03Å; K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 IonicContact NZ-OE1 3.94Å; K318-E322 WeakPolarHBondContact O-CG 3.34Å; K318-E322 PolarHBondContact O-N 3.02Å
319P96.9Very high96.7Very high41 Ų4139.5 Ų39.527%0.26621%0.211SC..Hα-helixtrans-61.7-34.6178.121.7-32.1000112.8I284 M316 F323I284-P319 HydrophobicContact CD1-CB 4.31Å; I284-P319 HydrophobicContact CD1-CG 3.93Å; I284-P319 HydrophobicContact CG1-CB 4.43Å; I284-P319 HydrophobicContact CG1-CG 4.33Å; M316-P319 WeakPolarHBondContact O-CD 3.47Å; M316-P319 WeakPolarHBondContact O-CG 3.34Å; P319-F323 WeakPolarHBondContact O-CB 3.33Å; P319-F323 PolarHBondContact O-N 3.48Å
320M97.4Very high96.6Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-69.1-40175.4-70.7-58.8-66.600112.7L150 I284 V287 L288 F291 M310 L312 M316 W317 K318 F323 C324L150-M320 HydrophobicContact CD2-CB 3.71Å; I284-M320 HydrophobicContact CD1-CG 3.79Å; I284-M320 HydrophobicContact CD1-SD 3.82Å; V287-M320 HydrophobicContact CG1-SD 4.28Å; L288-M320 HydrophobicContact CB-SD 4.33Å; L288-M320 HydrophobicContact CD1-CE 4.23Å; L288-M320 HydrophobicContact CD1-SD 4.41Å; F291-M320 HydrophobicContact CB-CE 4.09Å; F291-M320 HydrophobicContact CD1-CE 3.66Å; F291-M320 HydrophobicContact CE1-CE 4.33Å; F291-M320 HydrophobicContact CG-CE 4.14Å; M310-M320 HydrophobicContact CE-CE 3.82Å; M310-M320 HydrophobicContact SD-CE 4.03Å; L312-M320 HydrophobicContact CD2-CB 4.45Å; L312-M320 HydrophobicContact CD2-CG 4.41Å; M316-M320 WeakPolarHBondContact O-CB 3.37Å; M316-M320 VanDerWaalsContact O-CG 3.27Å; M316-M320 WeakPolarHBondContact O-CG 3.38Å; M316-M320 PolarHBondContact O-N 2.8Å; M316-M320 VanDerWaalsContact O-N 3.14Å; W317-M320 PolarHBondContact O-N 2.95Å; K318-M320 VanDerWaalsContact C-N 3.27Å; K318-M320 PolarHBondContact O-N 3Å; M320-F323 PolarHBondContact O-N 2.99Å; M320-C324 WeakPolarHBondContact O-CB 3.32Å; M320-C324 PolarHBondContact O-N 2.93Å; M320-C324 PolarHBondContact O-SG 2.65Å
321A97.8Very high96.5Very high7 Ų743.7 Ų43.76%0.05823%0.231CC..Hα-helixtrans-63.7-45.1175.400000111.5L150 W317 K318 F323 C324 C325 L332L150-A321 HydrophobicContact CD1-CB 3.83Å; W317-A321 HydrophobicContact CD2-CB 4.38Å; W317-A321 HydrophobicContact CE3-CB 4.23Å; W317-A321 HydrophobicContact CH2-CB 4.09Å; W317-A321 HydrophobicContact CZ2-CB 4.27Å; W317-A321 HydrophobicContact CZ3-CB 4.08Å; W317-A321 WeakPolarHBondContact O-CB 3.27Å; W317-A321 PolarHBondContact O-N 3.3Å; K318-A321 PolarHBondContact O-N 3.03Å; A321-F323 VanDerWaalsContact C-N 3.34Å; A321-F323 PolarHBondContact O-N 2.95Å; A321-C324 PolarHBondContact O-N 3.47Å; A321-C325 PolarHBondContact O-N 2.8Å; A321-C325 PolarHBondContact O-SG 2.77Å; A321-C325 VanDerWaalsContact O-SG 3.41Å; A321-L332 HydrophobicContact CB-CD1 4.45Å
322E96.8Very high96.5Very high70 Ų7045.7 Ų45.733%0.32724%0.242SC..Hα-helixtrans-59.9-44.5175.4-73.4171.9176.500111.1K318 C325 Q326K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 IonicContact NZ-OE1 3.94Å; K318-E322 WeakPolarHBondContact O-CG 3.34Å; K318-E322 PolarHBondContact O-N 3.02Å; E322-C325 PolarHBondContact O-N 3.22Å; E322-Q326 VanDerWaalsContact O-CB 3.22Å; E322-Q326 WeakPolarHBondContact O-CB 3.38Å; E322-Q326 VanDerWaalsContact O-CG 3.3Å; E322-Q326 WeakPolarHBondContact O-CG 3.28Å; E322-Q326 PolarHBondContact O-N 3.33Å
323F95.7Very high96.3Very high6 Ų648 Ų483%0.02626%0.255CS..Hα-helixtrans-59.7-48.7174.7177-95.2000112.5V170 L172 L288 L292 P319 M320 A321 C325 T327 L328V170-F323 HydrophobicContact CG1-CE2 3.69Å; V170-F323 HydrophobicContact CG1-CZ 4.04Å; L172-F323 HydrophobicContact CD2-CB 3.73Å; L172-F323 HydrophobicContact CD2-CD2 3.59Å; L172-F323 HydrophobicContact CD2-CG 3.91Å; L288-F323 HydrophobicContact CD1-CD1 3.51Å; L288-F323 HydrophobicContact CD1-CD2 4.18Å; L288-F323 HydrophobicContact CD1-CE1 3.31Å; L288-F323 HydrophobicContact CD1-CE2 3.99Å; L288-F323 HydrophobicContact CD1-CG 3.96Å; L288-F323 HydrophobicContact CD1-CZ 3.58Å; L288-F323 HydrophobicContact CD2-CD2 4.2Å; L288-F323 HydrophobicContact CD2-CE2 3.96Å; L288-F323 HydrophobicContact CD2-CZ 4.25Å; L288-F323 HydrophobicContact CG-CZ 4.48Å; L292-F323 HydrophobicContact CD1-CZ 4.22Å; L292-F323 HydrophobicContact CD2-CE1 3.99Å; L292-F323 HydrophobicContact CD2-CZ 4.05Å; P319-F323 WeakPolarHBondContact O-CB 3.33Å; P319-F323 PolarHBondContact O-N 3.48Å; M320-F323 PolarHBondContact O-N 2.99Å; A321-F323 VanDerWaalsContact C-N 3.34Å; A321-F323 PolarHBondContact O-N 2.95Å; F323-C325 PolarHBondContact O-N 3.22Å; F323-T327 HydrophobicContact CD2-CG2 4.05Å; F323-T327 HydrophobicContact CE2-CG2 3.44Å; F323-T327 VanDerWaalsContact CE2-CG2 3.44Å; F323-T327 HydrophobicContact CZ-CG2 3.89Å; F323-T327 WeakPolarHBondContact O-CA 3.16Å; F323-T327 WeakPolarHBondContact O-CB 3.41Å; F323-T327 PolarHBondContact O-N 3.3Å; F323-L328 HydrophobicContact CD1-CD1 4.25Å; F323-L328 HydrophobicContact CD1-CG 4.16Å; F323-L328 HydrophobicContact CE1-CD1 3.72Å; F323-L328 HydrophobicContact CE1-CD2 3.92Å; F323-L328 HydrophobicContact CE1-CG 3.52Å; F323-L328 HydrophobicContact CZ-CD2 4.11Å; F323-L328 HydrophobicContact CZ-CG 4.12Å; F323-L328 PolarHBondContact O-N 3.41Å; F323-L328 VanDerWaalsContact O-N 3.15Å
324C96.8Very high95.9Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-56.3-49.9177.8-76.80000111.7V152 M320 A321 L328 N329 V330V152-C324 HydrophobicContact CG1-CB 3.97Å; M320-C324 WeakPolarHBondContact O-CB 3.32Å; M320-C324 PolarHBondContact O-N 2.93Å; M320-C324 PolarHBondContact O-SG 2.65Å; A321-C324 PolarHBondContact O-N 3.47Å; C324-L328 CarbonylContact O-C 3.48Å; C324-L328 WeakPolarHBondContact O-CB 3.34Å; C324-L328 PolarHBondContact O-N 2.99Å; C324-N329 PolarHBondContact O-N 3.31Å; C324-N329 VanDerWaalsContact O-N 3.08Å; C324-V330 HydrophobicContact CB-CG2 3.66Å; C324-V330 WeakPolarHBondContact O-CG2 3.34Å; C324-V330 PolarHBondContact O-N 3.4Å; C324-V330 VanDerWaalsContact O-N 3.15Å
325C96.5Very high95.9Very high49 Ų4956 Ų5633%0.33129%0.287SS..Hα-helixtrans-71.1-47.3-177.6-660000112.6A321 E322 F323 N329A321-C325 PolarHBondContact O-N 2.8Å; A321-C325 PolarHBondContact O-SG 2.77Å; A321-C325 VanDerWaalsContact O-SG 3.41Å; E322-C325 PolarHBondContact O-N 3.22Å; F323-C325 PolarHBondContact O-N 3.22Å; C325-N329 WeakPolarHBondContact O-CA 3.43Å
326Q94.9Very high95.8Very high124 Ų12455.6 Ų55.658%0.57927%0.273SS*.Hα-helixtrans-87.1-32.7-169.9-60.2176.93.300112.9E322E322-Q326 VanDerWaalsContact O-CB 3.22Å; E322-Q326 WeakPolarHBondContact O-CB 3.38Å; E322-Q326 VanDerWaalsContact O-CG 3.3Å; E322-Q326 WeakPolarHBondContact O-CG 3.28Å; E322-Q326 PolarHBondContact O-N 3.33Å
327T93.5Very high95.8Very high30 Ų3057.6 Ų57.618%0.18429%0.286CS..THydrogen-bonded Turntrans-102.1-47.1-175.2-54.20000112.1R162 L166 F323R162-T327 VanDerWaalsContact CZ-O 3.29Å; R162-T327 PolarHBondContact NE-O 2.85Å; R162-T327 PolarHBondContact NH2-O 3.44Å; L166-T327 HydrophobicContact CD1-CG2 4.17Å; L166-T327 HydrophobicContact CD2-CG2 3.59Å; F323-T327 HydrophobicContact CD2-CG2 4.05Å; F323-T327 HydrophobicContact CE2-CG2 3.44Å; F323-T327 VanDerWaalsContact CE2-CG2 3.44Å; F323-T327 HydrophobicContact CZ-CG2 3.89Å; F323-T327 WeakPolarHBondContact O-CA 3.16Å; F323-T327 WeakPolarHBondContact O-CB 3.41Å; F323-T327 PolarHBondContact O-N 3.3Å
328L94.7Very high95.7Very high5 Ų559.1 Ų59.13%0.02629%0.294CS..SBendtrans-83.6-12.6177.7-60.5-178.6000113.3L159 L163 L166 F291 L292 L295 F323 C324 V330L159-L328 HydrophobicContact CD1-CB 4.45Å; L159-L328 HydrophobicContact CD1-CD2 4.43Å; L163-L328 HydrophobicContact CD2-CD2 4.04Å; L166-L328 HydrophobicContact CD1-CD2 3.51Å; F291-L328 HydrophobicContact CE1-CD1 3.79Å; F291-L328 HydrophobicContact CZ-CD1 4.4Å; L292-L328 HydrophobicContact CD2-CD2 4.06Å; L295-L328 HydrophobicContact CD1-CD1 3.78Å; F323-L328 HydrophobicContact CD1-CD1 4.25Å; F323-L328 HydrophobicContact CD1-CG 4.16Å; F323-L328 HydrophobicContact CE1-CD1 3.72Å; F323-L328 HydrophobicContact CE1-CD2 3.92Å; F323-L328 HydrophobicContact CE1-CG 3.52Å; F323-L328 HydrophobicContact CZ-CD2 4.11Å; F323-L328 HydrophobicContact CZ-CG 4.12Å; F323-L328 PolarHBondContact O-N 3.41Å; F323-L328 VanDerWaalsContact O-N 3.15Å; C324-L328 CarbonylContact O-C 3.48Å; C324-L328 WeakPolarHBondContact O-CB 3.34Å; C324-L328 PolarHBondContact O-N 2.99Å; L328-V330 HydrophobicContact CB-CG1 3.9Å; L328-V330 HydrophobicContact CB-CG2 4.25Å; L328-V330 PolarHBondContact O-N 3.22Å
329N95.3Very high95.6Very high137 Ų13752.7 Ų52.773%0.73327%0.266SS*.  trans53.539.5-175.7-167.849.4000112.3C324 C325C324-N329 PolarHBondContact O-N 3.31Å; C324-N329 VanDerWaalsContact O-N 3.08Å; C325-N329 WeakPolarHBondContact O-CA 3.43Å
330V95.9Very high95.6Very high12 Ų1250.9 Ų50.97%0.07325%0.254CS..PPolyproline II helixtrans-102.7155.7175.8-55.30000110.6V152 F154 L159 C324 L328V152-V330 HydrophobicContact CB-CG2 3.91Å; V152-V330 HydrophobicContact CG1-CG2 4.16Å; V152-V330 HydrophobicContact CG2-CG2 4.17Å; F154-V330 HydrophobicContact CB-CB 4.03Å; F154-V330 HydrophobicContact CB-CG1 3.6Å; F154-V330 HydrophobicContact CD1-CB 4.29Å; F154-V330 HydrophobicContact CD1-CG1 3.97Å; F154-V330 HydrophobicContact CG-CG1 4.08Å; L159-V330 HydrophobicContact CD1-CG1 4.07Å; C324-V330 HydrophobicContact CB-CG2 3.66Å; C324-V330 WeakPolarHBondContact O-CG2 3.34Å; C324-V330 PolarHBondContact O-N 3.4Å; C324-V330 VanDerWaalsContact O-N 3.15Å; L328-V330 HydrophobicContact CB-CG1 3.9Å; L328-V330 HydrophobicContact CB-CG2 4.25Å; L328-V330 PolarHBondContact O-N 3.22Å
331E96.3Very high95.7Very high90 Ų9050.9 Ų50.942%0.42125%0.254SS..EExtended strand (participates in β ladder)trans-83.1129.3-176.1-178.1-173.4167.800111.2V152 R153V152-E331 CarbonylContact C-O 3.5Å; V152-E331 WeakPolarHBondContact CA-O 3.35Å; V152-E331 WeakPolarHBondContact CB-O 3.45Å; R153-E331 HydrophobicContact CB-CB 4.37Å; R153-E331 IonicContact CZ-OE1 2.72Å; R153-E331 IonicContact CZ-OE2 3.56Å; R153-E331 PolarHBondContact N-O 3.13Å; R153-E331 IonicContact NE-OE1 3.97Å; R153-E331 IonicContact NE-OE2 3.31Å; R153-E331 PolarHBondContact NE-OE2 2.9Å; R153-E331 IonicContact NH2-OE1 3.79Å; R153-E331 PolarHBondContact NH2-OE1 2.91Å; R153-E331 IonicContact NH2-OE2 2.81Å; R153-E331 PolarHBondContact NH2-OE2 2.99Å; R153-E331 PolarHBondContact O-N 3.07Å
332L96.9Very high95.7Very high43 Ų4350.6 Ų50.623%0.22525%0.252CS..EExtended strand (participates in β ladder)trans-77.9122166.5-174.968.5000109.8L150 V152 W317 A321 K334L150-L332 HydrophobicContact CD1-CD1 3.47Å; L150-L332 VanDerWaalsContact CD1-CD1 3.47Å; V152-L332 HydrophobicContact CG1-CD1 4.31Å; W317-L332 HydrophobicContact CH2-CD2 4.1Å; W317-L332 HydrophobicContact CZ2-CD1 4.26Å; W317-L332 HydrophobicContact CZ2-CD2 4.29Å; A321-L332 HydrophobicContact CB-CD1 4.45Å; L332-K334 WeakPolarHBondContact CD1-O 3.45Å; L332-K334 WeakPolarHBondContact CG-O 3.47Å
333V93.4Very high95.7Very high48 Ų4848.6 Ų48.629%0.29124%0.243SC..  trans-87-31.8-174.7-177.50000112L151 R153 M307L151-V333 HydrophobicContact CB-CB 4.37Å; L151-V333 HydrophobicContact CD2-CB 3.93Å; L151-V333 HydrophobicContact CD2-CG1 3.83Å; L151-V333 HydrophobicContact CG-CB 3.86Å; L151-V333 HydrophobicContact CG-CG1 4.3Å; L151-V333 HydrophobicContact CG-CG2 4.17Å; L151-V333 PolarHBondContact O-N 2.78Å; R153-V333 HydrophobicContact CB-CG2 3.56Å; M307-V333 HydrophobicContact CE-CB 4.34Å; M307-V333 HydrophobicContact CE-CG1 4.03Å; M307-V333 HydrophobicContact CE-CG2 3.77Å; M307-V333 HydrophobicContact SD-CG2 4.27Å
334K90.8Very high95.7Very high106 Ų10649 Ų4946%0.46125%0.246SC..SBendtrans-143.3148.7-178.2-64.1-176.2-177.3177.80110.5L151 L332L151-K334 HydrophobicContact CD2-CD 4.18Å; L151-K334 HydrophobicContact CD2-CG 4.32Å; L332-K334 WeakPolarHBondContact CD1-O 3.45Å; L332-K334 WeakPolarHBondContact CG-O 3.47Å
335E95.1Very high95.6Very high144 Ų14453.7 Ų53.767%0.67327%0.271SS*.SBendtrans-63.9174.3165.1-66.6-58.1139.500111.5T337E335-T337 PolarHBondContact O-N 3.08Å
336Y96Very high95.2Very high89 Ų8952.2 Ų52.235%0.34926%0.261SS..  trans-49.5125.4-178.7179.7-100.8000113P314 W317 E338P314-Y336 WeakPolarHBondContact CB-OH 3.34Å; W317-Y336 HydrophobicContact CB-CD2 3.75Å; W317-Y336 HydrophobicContact CB-CE2 3.81Å; W317-Y336 AromaticContact CD1-CD2 3.8Å; W317-Y336 AromaticContact CD2-CD2 3.57Å; W317-Y336 HydrophobicContact CD2-CD2 3.57Å; W317-Y336 HydrophobicContact CD2-CG 4.34Å; W317-Y336 AromaticContact CE3-CD2 3.98Å; W317-Y336 HydrophobicContact CE3-CD2 3.98Å; W317-Y336 HydrophobicContact CE3-CG 4.5Å; W317-Y336 AromaticContact CG-CD2 3.43Å; W317-Y336 HydrophobicContact CG-CD2 3.43Å; W317-Y336 VanDerWaalsContact CG-CD2 3.43Å; W317-Y336 AromaticContact CG-CE2 3.96Å; W317-Y336 HydrophobicContact CG-CE2 3.96Å; Y336-E338 HydrophobicContact CE1-CG 3.65Å; Y336-E338 VanDerWaalsContact OH-CD 3.29Å; Y336-E338 WeakPolarHBondContact OH-CG 3.42Å; Y336-E338 PolarHBondContact OH-OE1 3.15Å
337T95.3Very high94Very high50 Ų5054.9 Ų54.931%0.30729%0.285SS..EExtended strand (participates in β ladder)trans-138.3163171.8490000109.5I149 E335I149-T337 PolarHBondContact N-O 3.31Å; E335-T337 PolarHBondContact O-N 3.08Å
338E95.3Very high94Very high55 Ų5556.1 Ų56.126%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-124.5141-176.4-67.9-178169.400110.6D130 K146 Q147 Y336D130-E338 WeakPolarHBondContact CA-O 3.39Å; K146-E338 IonicContact NZ-OE2 2.93Å; K146-E338 PolarHBondContact NZ-OE2 3.15Å; Q147-E338 CarbonylContact O-C 3.59Å; Q147-E338 VanDerWaalsContact O-CA 3.29Å; Q147-E338 WeakPolarHBondContact O-CA 3.35Å; Y336-E338 HydrophobicContact CE1-CG 3.65Å; Y336-E338 VanDerWaalsContact OH-CD 3.29Å; Y336-E338 WeakPolarHBondContact OH-CG 3.42Å; Y336-E338 PolarHBondContact OH-OE1 3.15Å
339Q96.9Very high94Very high0 Ų058.8 Ų58.80%030%0.304CS..EExtended strand (participates in β ladder)trans-91.6123.8161.1-175.5-174.264.900108.2T128 R129 K146 Q147 I149 W221 F311T128-Q339 HydrophobicContact CG2-CG 4.27Å; R129-Q339 CarbonylContact O-C 3.48Å; R129-Q339 WeakPolarHBondContact O-CA 3.2Å; K146-Q339 CarbonylContact C-O 3.53Å; K146-Q339 WeakPolarHBondContact CA-O 2.95Å; Q147-Q339 PolarHBondContact N-O 3.44Å; Q147-Q339 PolarHBondContact O-N 2.83Å; I149-Q339 HydrophobicContact CD1-CB 3.95Å; I149-Q339 HydrophobicContact CG1-CB 4.02Å; W221-Q339 VanDerWaalsContact CD2-NE2 3.26Å; W221-Q339 HydrophobicContact CE3-CG 3.95Å; W221-Q339 HydrophobicContact CH2-CG 4.45Å; W221-Q339 HydrophobicContact CZ3-CB 4.31Å; W221-Q339 HydrophobicContact CZ3-CG 3.75Å; F311-Q339 HydrophobicContact CD1-CB 3.92Å; F311-Q339 HydrophobicContact CD1-CG 4.48Å; F311-Q339 HydrophobicContact CE1-CB 3.84Å; F311-Q339 HydrophobicContact CE1-CG 4.21Å; F311-Q339 VanDerWaalsContact CE1-NE2 3.33Å
340C97.4Very high93.9Very high3 Ų354.4 Ų54.42%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-108.5122.4175-63.40000109.8T128 R129 L133 L143 V342T128-C340 CarbonylContact C-O 3.53Å; T128-C340 WeakPolarHBondContact CA-O 3.12Å; R129-C340 PolarHBondContact N-O 2.96Å; R129-C340 PolarHBondContact O-N 2.93Å; L133-C340 HydrophobicContact CD1-CB 3.79Å; L133-C340 HydrophobicContact CG-CB 4.38Å; L143-C340 HydrophobicContact CD1-CB 4.01Å; C340-V342 HydrophobicContact CB-CG1 4.29Å
341V97.8Very high93.8Very high0 Ų056.9 Ų56.90%029%0.292CS..EExtended strand (participates in β ladder)trans-89.1120.2169.1-178.90000107.8R126 T128 I144 T145 V218 P223R126-V341 HydrophobicContact CG-CG1 4.14Å; T128-V341 HydrophobicContact CG2-CG2 3.93Å; I144-V341 HydrophobicContact CB-CB 4.17Å; I144-V341 HydrophobicContact CB-CG1 3.88Å; I144-V341 HydrophobicContact CG1-CG1 4.3Å; I144-V341 HydrophobicContact CG2-CG1 4.26Å; I144-V341 PolarHBondContact N-O 3.28Å; T145-V341 HydrophobicContact CG2-CB 3.88Å; T145-V341 HydrophobicContact CG2-CG2 3.67Å; T145-V341 PolarHBondContact N-O 3.12Å; T145-V341 PolarHBondContact O-N 2.87Å; V218-V341 HydrophobicContact CG2-CG2 3.68Å; P223-V341 HydrophobicContact CB-CG1 3.59Å; P223-V341 HydrophobicContact CB-CG2 4.1Å; P223-V341 HydrophobicContact CG-CG1 3.87Å
342V97.6Very high93.7Very high2 Ų254.9 Ų54.91%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-130.9152.2-176.2-62.30000111.4R126 L127 R129 L133 Y141 R142 L143 C340R126-V342 WeakPolarHBondContact CA-O 3.22Å; R126-V342 WeakPolarHBondContact CG-O 3.47Å; L127-V342 HydrophobicContact CD2-CG2 3.87Å; L127-V342 HydrophobicContact CG-CG2 3.79Å; L127-V342 PolarHBondContact N-O 3Å; L127-V342 PolarHBondContact O-N 3.09Å; R129-V342 HydrophobicContact CG-CG2 4.48Å; L133-V342 HydrophobicContact CD1-CG1 3.81Å; Y141-V342 HydrophobicContact CD1-CG2 4.19Å; Y141-V342 HydrophobicContact CD2-CG2 4.45Å; Y141-V342 HydrophobicContact CG-CB 4.23Å; Y141-V342 HydrophobicContact CG-CG2 4.1Å; R142-V342 CarbonylContact O-C 3.54Å; R142-V342 VanDerWaalsContact O-CA 3.3Å; R142-V342 WeakPolarHBondContact O-CA 3.3Å; L143-V342 HydrophobicContact CD1-CG1 3.95Å; C340-V342 HydrophobicContact CB-CG1 4.29Å
343E97.1Very high93.4Very high27 Ų2755.7 Ų55.713%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-138.4156175.464.3169.1-138.200112.9V124 T125 R126 Y141 R142 I144V124-E343 HydrophobicContact CB-CB 4.49Å; T125-E343 CarbonylContact O-C 3.56Å; T125-E343 WeakPolarHBondContact O-CA 3.41Å; T125-E343 WeakPolarHBondContact O-CB 3.38Å; R126-E343 HydrophobicContact CB-CB 4.39Å; R126-E343 HydrophobicContact CG-CB 4.41Å; R126-E343 IonicContact NE-OE2 3.23Å; R126-E343 IonicContact NH2-OE2 3.48Å; Y141-E343 CarbonylContact C-O 3.6Å; Y141-E343 WeakPolarHBondContact CA-O 3.34Å; R142-E343 HydrophobicContact CB-CG 4.15Å; R142-E343 IonicContact CZ-OE1 3.41Å; R142-E343 PolarHBondContact N-O 3.24Å; R142-E343 IonicContact NE-OE1 3.46Å; R142-E343 PolarHBondContact NE-OE1 2.72Å; R142-E343 IonicContact NH2-OE1 3.58Å; R142-E343 PolarHBondContact NH2-OE1 3.36Å; R142-E343 PolarHBondContact O-N 3.3Å; I144-E343 HydrophobicContact CD1-CG 3.73Å; I144-E343 HydrophobicContact CG1-CG 3.91Å
344S96.3Very high93.4Very high14 Ų1456.2 Ų56.210%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-140.2153.9172.459.60000109.7V124 T125 K140V124-S344 CarbonylContact C-O 3.58Å; V124-S344 VanDerWaalsContact CA-O 3.31Å; V124-S344 WeakPolarHBondContact CA-O 3.34Å; T125-S344 PolarHBondContact N-O 3.05Å; T125-S344 PolarHBondContact O-N 2.88Å; K140-S344 VanDerWaalsContact O-CB 3.23Å; K140-S344 WeakPolarHBondContact O-CB 3.44Å
345D94.9Very high93.7Very high99 Ų9952.4 Ų52.453%0.52928%0.275SS..EExtended strand (participates in β ladder)trans-63.6140.7175.1-56.1-39.4000110.8K123 R142K123-D345 WeakPolarHBondContact O-CA 2.94Å; R142-D345 IonicContact CZ-OD1 3.22Å; R142-D345 VanDerWaalsContact CZ-OD1 3.28Å; R142-D345 IonicContact NH1-OD1 3.15Å; R142-D345 PolarHBondContact NH1-OD1 3.04Å; R142-D345 IonicContact NH1-OD2 2.79Å; R142-D345 PolarHBondContact NH1-OD2 3.1Å; R142-D345 IonicContact NH2-OD1 2.72Å; R142-D345 PolarHBondContact NH2-OD1 3.02Å
346V88.2Confident93.5Very high18 Ų1844.8 Ų44.811%0.10924%0.242CC..  trans-80.3123.4173.5-169.30000108.1K116 V122 K123 T125K116-V346 HydrophobicContact CD-CG1 4.38Å; K116-V346 HydrophobicContact CG-CB 4.41Å; K116-V346 HydrophobicContact CG-CG1 3.61Å; V122-V346 HydrophobicContact CG1-CG2 3.73Å; K123-V346 PolarHBondContact O-N 3.06Å; T125-V346 VanDerWaalsContact OG1-CG2 3.3Å; T125-V346 WeakPolarHBondContact OG1-CG2 3.4Å
347V69.6Low93.3Very high180 Ų18040.7 Ų40.7100%1.09123%0.232SC*.  trans-87.10178-175.60000110.8

Retrieved 347 of 347 residues in 2052 ms (Link to these results)

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