A0A093HKH8_STRCA Loading...

TAR DNA-binding protein 43

AlphaFold DB , UniProt , Accession A0A093HKH8, Species STRCA (Struthio camelus australis), Gene n/a, Length 414 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
1M58.3Low80Confident208 Ų20882.5 Ų82.5100%1.02539%0.392SS*.  0112.30-90.3-175.3175.600105E3 D22M1-E3 PolarHBondContact O-N 2.71Å; M1-D22 PolarHBondContact N-OD1 2.84Å
2S64.4Low79Confident61 Ų6188.8 Ų88.843%0.42743%0.429SS..  trans-57.8121174.5-540000109.7S20S2-S20 WeakPolarHBondContact CB-O 3.35Å; S2-S20 PolarHBondContact OG-O 2.91Å
3E82.5Confident78.9Confident114 Ų11489.2 Ų89.253%0.53344%0.435SS..  trans-78.6166.4162.8-59.7-168.8131.400108.3M1 P19 S20M1-E3 PolarHBondContact O-N 2.71Å; E3-P19 CarbonylContact O-C 3.57Å; E3-P19 WeakPolarHBondContact O-CA 3.28Å; E3-S20 WeakPolarHBondContact CB-OG 3.35Å; E3-S20 PolarHBondContact N-OG 3.19Å; E3-S20 PolarHBondContact O-N 3.05Å; E3-S20 PolarHBondContact O-OG 3.2Å
4Y86.8Confident79.2Confident138 Ų13895.9 Ų95.954%0.54147%0.465SS..EExtended strand (participates in β ladder)trans-119.4126.4176.5-73.7-93.6000109.4E17 I18 P19Y4-E17 HydrophobicContact CD1-CB 4.2Å; Y4-I18 WeakPolarHBondContact CA-O 3.42Å; Y4-P19 HydrophobicContact CD1-CB 4.28Å; Y4-P19 HydrophobicContact CE1-CB 3.94Å
5I90.8Very high79.8Confident0 Ų093.1 Ų93.10%046%0.458CS..EExtended strand (participates in β ladder)trans-100.8137.5-179.675.6146000109.4V7 E17 I18 V26 L41 W68I5-V7 HydrophobicContact CD1-CG2 3.47Å; I5-V7 VanDerWaalsContact CD1-CG2 3.47Å; I5-V7 HydrophobicContact CG1-CG2 3.79Å; I5-E17 WeakPolarHBondContact O-CA 3.46Å; I5-I18 HydrophobicContact CG1-CB 4.09Å; I5-I18 WeakPolarHBondContact CG1-O 3.42Å; I5-I18 PolarHBondContact N-O 3.28Å; I5-I18 PolarHBondContact O-N 2.87Å; I5-V26 HydrophobicContact CD1-CB 4.35Å; I5-V26 HydrophobicContact CD1-CG1 4.14Å; I5-V26 HydrophobicContact CD1-CG2 3.85Å; I5-V26 HydrophobicContact CG1-CG2 4.01Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I5-L41 HydrophobicContact CD1-CD1 3.75Å; I5-W68 HydrophobicContact CB-CD2 4.31Å; I5-W68 HydrophobicContact CB-CE3 4.22Å; I5-W68 HydrophobicContact CB-CG 4.45Å; I5-W68 HydrophobicContact CD1-CE3 3.98Å; I5-W68 HydrophobicContact CD1-CH2 4.24Å; I5-W68 HydrophobicContact CD1-CZ3 3.81Å; I5-W68 HydrophobicContact CG2-CB 3.72Å; I5-W68 HydrophobicContact CG2-CD2 3.46Å; I5-W68 VanDerWaalsContact CG2-CD2 3.46Å; I5-W68 HydrophobicContact CG2-CE3 3.87Å; I5-W68 HydrophobicContact CG2-CG 3.37Å
6R90.9Very high80.3Confident97 Ų9791.8 Ų91.837%0.36645%0.452SS..EExtended strand (participates in β ladder)trans-89.6110.3-178-77.5178.8-178.7156.76.9110.4P15 E17 V72 Y73R6-P15 HydrophobicContact CB-CB 3.99Å; R6-P15 HydrophobicContact CB-CG 4.43Å; R6-P15 HydrophobicContact CG-CB 4.49Å; R6-E17 HydrophobicContact CG-CG 3.76Å; R6-E17 IonicContact CZ-OE1 3.08Å; R6-E17 IonicContact NE-OE1 2.66Å; R6-E17 PolarHBondContact NE-OE1 2.64Å; R6-E17 IonicContact NH2-OE1 2.71Å; R6-E17 PolarHBondContact NH2-OE1 3.26Å; R6-V72 HydrophobicContact CB-CG2 4.4Å; R6-Y73 PolarHBondContact O-N 2.95Å
7V90.7Very high81Confident0 Ų091.9 Ų91.90%045%0.451CS..EExtended strand (participates in β ladder)trans-116.3132.1-176.5-174.10000110.5I5 P15 I16 I18 F35 L41 Y73 V75I5-V7 HydrophobicContact CD1-CG2 3.47Å; I5-V7 VanDerWaalsContact CD1-CG2 3.47Å; I5-V7 HydrophobicContact CG1-CG2 3.79Å; V7-P15 CarbonylContact O-C 3.5Å; V7-P15 WeakPolarHBondContact O-CA 3.42Å; V7-I16 PolarHBondContact N-O 3.38Å; V7-I16 PolarHBondContact O-N 2.71Å; V7-I18 HydrophobicContact CB-CD1 3.99Å; V7-I18 HydrophobicContact CB-CG1 4.32Å; V7-I18 HydrophobicContact CG1-CD1 4.39Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.96Å; V7-I18 HydrophobicContact CG2-CG1 4.17Å; V7-F35 HydrophobicContact CB-CE2 3.9Å; V7-F35 HydrophobicContact CG1-CD2 3.93Å; V7-F35 HydrophobicContact CG1-CE2 3.47Å; V7-F35 VanDerWaalsContact CG1-CE2 3.47Å; V7-F35 HydrophobicContact CG1-CZ 4.11Å; V7-L41 HydrophobicContact CG1-CD2 3.7Å; V7-L41 HydrophobicContact CG2-CD1 4.18Å; V7-L41 HydrophobicContact CG2-CD2 4.48Å; V7-Y73 CarbonylContact C-O 3.53Å; V7-Y73 VanDerWaalsContact CA-O 3.26Å; V7-Y73 WeakPolarHBondContact CA-O 3.4Å; V7-V75 HydrophobicContact CG1-CG2 3.61Å
8T90.8Very high81.5Confident4 Ų486.9 Ų86.93%0.02543%0.427CS..EExtended strand (participates in β ladder)trans-130.5156.5177-171.40000111.4D10 V72 Y73 V74 V75T8-D10 WeakPolarHBondContact CG2-O 3.36Å; T8-D10 PolarHBondContact OG1-O 3.23Å; T8-V72 HydrophobicContact CG2-CG1 3.65Å; T8-Y73 PolarHBondContact N-O 3.14Å; T8-V74 HydrophobicContact CG2-CB 4.47Å; T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.53Å; T8-V74 WeakPolarHBondContact O-CA 3.41Å; T8-V75 WeakPolarHBondContact O-CG2 3.18Å; T8-V75 PolarHBondContact O-N 2.82Å
9E83.8Confident81.9Confident89 Ų8984.8 Ų84.842%0.41642%0.42SS..SBendtrans-74-50.3172.5177.3140.6-132.500111.2F35 V74 Y77E9-F35 HydrophobicContact CB-CD1 4.31Å; E9-F35 HydrophobicContact CB-CE1 4.05Å; E9-V74 WeakPolarHBondContact O-CG1 3.41Å; E9-Y77 HydrophobicContact CG-CE2 4.13Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.34Å; E9-Y77 PolarHBondContact OE1-OH 2.75Å
10D74.6Confident82.3Confident89 Ų8980.8 Ų80.848%0.47640%0.401SS..SBendtrans-131.1164.1178.3-102.3-49.8000113.2T8 N12 D13T8-D10 WeakPolarHBondContact CG2-O 3.36Å; T8-D10 PolarHBondContact OG1-O 3.23Å; D10-N12 PolarHBondContact O-N 3.15Å; D10-D13 PolarHBondContact O-N 3.02Å
11E66.4Low82.6Confident108 Ų10880.6 Ų80.651%0.50540%0.399SS..THydrogen-bonded Turntrans-64.8-5.5-175.3-70.9-164.4129.200114.7R44 V74E11-R44 VanDerWaalsContact CD-NH1 3.31Å; E11-R44 WeakPolarHBondContact OE1-CD 3.47Å; E11-R44 IonicContact OE1-CZ 3.52Å; E11-R44 IonicContact OE1-NH1 2.74Å; E11-R44 PolarHBondContact OE1-NH1 2.61Å; E11-R44 IonicContact OE2-NH1 2.72Å; E11-R44 PolarHBondContact OE2-NH1 2.88Å; E11-R44 VanDerWaalsContact OE2-NH1 3.07Å; E11-V74 HydrophobicContact CG-CG2 4.22Å
12N68.1Low83.8Confident157 Ų15777.1 Ų77.184%0.8438%0.384SS*.THydrogen-bonded Turntrans-108.8-13.5-177.6-57.5-61000114.5D10D10-N12 PolarHBondContact O-N 3.15Å
13D77.8Confident84.7Confident94 Ų9479.8 Ų79.850%0.50339%0.394SS..SBendtrans-88.7159.8-173.4-65.1-49.3000113.1D10 P15D10-D13 PolarHBondContact O-N 3.02Å; D13-P15 WeakPolarHBondContact O-CD 3.48Å
14E83.3Confident84.8Confident184 Ų18475.6 Ų75.686%0.8638%0.381SS*.PPolyproline II helixtrans-68.5122.2175.4-65.1-168.516300110.7I16E14-I16 PolarHBondContact O-N 2.93Å
15P87.3Confident84.9Confident54 Ų5469.5 Ų69.535%0.35136%0.358SS..PPolyproline II helixtrans-75.3130.5-174.729.3-34.6000112.2R6 V7 D13 V72R6-P15 HydrophobicContact CB-CB 3.99Å; R6-P15 HydrophobicContact CB-CG 4.43Å; R6-P15 HydrophobicContact CG-CB 4.49Å; V7-P15 CarbonylContact O-C 3.5Å; V7-P15 WeakPolarHBondContact O-CA 3.42Å; D13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-V72 HydrophobicContact CB-CG1 4.2Å
16I88.4Confident84.9Confident71 Ų7169.5 Ų69.536%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-78.7133.5174-59.6179.7000109.3V7 E14 I18 F35V7-I16 PolarHBondContact N-O 3.38Å; V7-I16 PolarHBondContact O-N 2.71Å; E14-I16 PolarHBondContact O-N 2.93Å; I16-I18 HydrophobicContact CG2-CG1 4.33Å; I16-F35 HydrophobicContact CB-CE2 4.47Å; I16-F35 HydrophobicContact CB-CZ 4.28Å; I16-F35 HydrophobicContact CD1-CE1 4.38Å; I16-F35 HydrophobicContact CD1-CE2 4.37Å; I16-F35 HydrophobicContact CD1-CZ 3.82Å; I16-F35 HydrophobicContact CG1-CZ 4.22Å
17E91.2Very high85Confident95 Ų9567.4 Ų67.444%0.44435%0.354SS..EExtended strand (participates in β ladder)trans-85.9110.7175.4-79-176.4173.700111.1Y4 I5 R6Y4-E17 HydrophobicContact CD1-CB 4.2Å; I5-E17 WeakPolarHBondContact O-CA 3.46Å; R6-E17 HydrophobicContact CG-CG 3.76Å; R6-E17 IonicContact CZ-OE1 3.08Å; R6-E17 IonicContact NE-OE1 2.66Å; R6-E17 PolarHBondContact NE-OE1 2.64Å; R6-E17 IonicContact NH2-OE1 2.71Å; R6-E17 PolarHBondContact NH2-OE1 3.26Å
18I90.3Very high84.9Confident1 Ų168.7 Ų68.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-102.1130.7179.6-61.1-167.9000109.3Y4 I5 V7 I16 V26 T30 V31 Q34 F35Y4-I18 WeakPolarHBondContact CA-O 3.42Å; I5-I18 HydrophobicContact CG1-CB 4.09Å; I5-I18 WeakPolarHBondContact CG1-O 3.42Å; I5-I18 PolarHBondContact N-O 3.28Å; I5-I18 PolarHBondContact O-N 2.87Å; V7-I18 HydrophobicContact CB-CD1 3.99Å; V7-I18 HydrophobicContact CB-CG1 4.32Å; V7-I18 HydrophobicContact CG1-CD1 4.39Å; V7-I18 HydrophobicContact CG2-CB 4.37Å; V7-I18 HydrophobicContact CG2-CD1 3.96Å; V7-I18 HydrophobicContact CG2-CG1 4.17Å; I16-I18 HydrophobicContact CG2-CG1 4.33Å; I18-V26 HydrophobicContact CG2-CG1 4.28Å; I18-T30 HydrophobicContact CG2-CG2 3.82Å; I18-V31 HydrophobicContact CD1-CG2 4.35Å; I18-Q34 HydrophobicContact CD1-CB 4.21Å; I18-Q34 HydrophobicContact CD1-CG 3.97Å; I18-Q34 HydrophobicContact CG1-CG 4.31Å; I18-F35 HydrophobicContact CD1-CD2 4.24Å; I18-F35 HydrophobicContact CD1-CE2 4.05Å
19P89.4Confident84.9Confident47 Ų4771.8 Ų71.831%0.30538%0.383SS..EExtended strand (participates in β ladder)trans-68.7146.5179.528.9-35.4000112.4E3 Y4E3-P19 CarbonylContact O-C 3.57Å; E3-P19 WeakPolarHBondContact O-CA 3.28Å; Y4-P19 HydrophobicContact CD1-CB 4.28Å; Y4-P19 HydrophobicContact CE1-CB 3.94Å
20S89.7Confident85.2Confident4 Ų469.4 Ų69.43%0.02837%0.374CS..PPolyproline II helixtrans-91.315616563.80000112.6S2 E3 T25S2-S20 WeakPolarHBondContact CB-O 3.35Å; S2-S20 PolarHBondContact OG-O 2.91Å; E3-S20 WeakPolarHBondContact CB-OG 3.35Å; E3-S20 PolarHBondContact N-OG 3.19Å; E3-S20 PolarHBondContact O-N 3.05Å; E3-S20 PolarHBondContact O-OG 3.2Å; S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.33Å
21E90Very high85.9Confident78 Ų7865.2 Ų65.236%0.36435%0.352SS..PPolyproline II helixtrans-72.2159.7170-53.7-57.9147.100110.3D23 G24 T25 L27E21-D23 PolarHBondContact O-N 2.82Å; E21-G24 PolarHBondContact O-N 2.87Å; E21-T25 PolarHBondContact N-O 2.84Å; E21-L27 HydrophobicContact CG-CD1 4.44Å; E21-L27 HydrophobicContact CG-CG 4Å; E21-L27 WeakPolarHBondContact OE1-CD1 3.45Å
22D83.3Confident87Confident135 Ų13562.3 Ų62.372%0.72234%0.342SS*.THydrogen-bonded Turntrans-64.9-10-178.1-83.7-54.8000114.5M1M1-D22 PolarHBondContact N-OD1 2.84Å
23D82.9Confident88Confident117 Ų11758.5 Ų58.563%0.62633%0.332SS*.THydrogen-bonded Turntrans-89.3-0.3171.578.2-15.6000113.8E21 T25E21-D23 PolarHBondContact O-N 2.82Å; D23-T25 VanDerWaalsContact C-N 3.34Å; D23-T25 VanDerWaalsContact OD1-CB 3.28Å; D23-T25 WeakPolarHBondContact OD1-CB 3.48Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.49Å; D23-T25 PolarHBondContact OD1-N 2.74Å; D23-T25 PolarHBondContact OD1-OG1 2.82Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.25Å; D23-T25 PolarHBondContact OD2-OG1 2.95Å
24G83.6Confident88.5Confident26 Ų2659.2 Ų59.227%0.26833%0.332SS..SBendtrans81.27.3-177.600000114.5E21 W68E21-G24 PolarHBondContact O-N 2.87Å; G24-W68 PolarHBondContact O-NE1 3.42Å
25T90.3Very high88.8Confident9 Ų951 Ų516%0.05529%0.294CS..  trans-89.2170.1170.370.70000112S20 E21 D23 I60 L61S20-T25 WeakPolarHBondContact CA-O 3.4Å; S20-T25 WeakPolarHBondContact CB-O 3.33Å; E21-T25 PolarHBondContact N-O 2.84Å; D23-T25 VanDerWaalsContact C-N 3.34Å; D23-T25 VanDerWaalsContact OD1-CB 3.28Å; D23-T25 WeakPolarHBondContact OD1-CB 3.48Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.49Å; D23-T25 PolarHBondContact OD1-N 2.74Å; D23-T25 PolarHBondContact OD1-OG1 2.82Å; D23-T25 WeakPolarHBondContact OD2-CG2 3.25Å; D23-T25 PolarHBondContact OD2-OG1 2.95Å; T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.7Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.39Å; T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.48Å
26V91.1Very high88.6Confident0 Ų053.6 Ų53.60%031%0.31CS..EExtended strand (participates in β ladder)trans-129.5128.7172.7172.70000108.5I5 I18 V31 L61 W68I5-V26 HydrophobicContact CD1-CB 4.35Å; I5-V26 HydrophobicContact CD1-CG1 4.14Å; I5-V26 HydrophobicContact CD1-CG2 3.85Å; I5-V26 HydrophobicContact CG1-CG2 4.01Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I18-V26 HydrophobicContact CG2-CG1 4.28Å; V26-V31 HydrophobicContact CG1-CG2 3.84Å; V26-L61 HydrophobicContact CB-CB 4.42Å; V26-L61 PolarHBondContact N-O 2.8Å; V26-L61 WeakPolarHBondContact O-CA 3.19Å; V26-L61 VanDerWaalsContact O-CB 3.25Å; V26-L61 WeakPolarHBondContact O-CB 3.43Å; V26-L61 PolarHBondContact O-N 3.49Å; V26-W68 HydrophobicContact CB-CH2 4.18Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.08Å; V26-W68 HydrophobicContact CG2-CZ2 3.56Å
27L91.2Very high88.3Confident53 Ų5352.5 Ų52.528%0.27732%0.317SS..EExtended strand (participates in β ladder)trans-74.5131.8177.6-57.6177.6000110.8E21 S29 T30 V31 I60E21-L27 HydrophobicContact CG-CD1 4.44Å; E21-L27 HydrophobicContact CG-CG 4Å; E21-L27 WeakPolarHBondContact OE1-CD1 3.45Å; L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; L27-T30 WeakPolarHBondContact O-CB 3.47Å; L27-T30 PolarHBondContact O-N 3.48Å; L27-V31 PolarHBondContact O-N 3.01Å; L27-I60 HydrophobicContact CD2-CG1 4.07Å
28L89.9Confident88.1Confident27 Ų2748.3 Ų48.314%0.14130%0.298CS..Hα-helixtrans-59.4-30.2173.2-178.663.7000111T30 V31 T32 L56 G59 L61L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.18Å; L28-V31 HydrophobicContact CD1-CB 4.42Å; L28-V31 PolarHBondContact O-N 2.85Å; L28-T32 HydrophobicContact CD1-CG2 4.42Å; L28-T32 HydrophobicContact CG-CG2 4.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.46Å; L28-T32 PolarHBondContact O-N 3.24Å; L28-T32 PolarHBondContact O-OG1 2.79Å; L28-L56 HydrophobicContact CB-CD1 4.16Å; L28-L56 HydrophobicContact CD2-CD1 4.02Å; L28-L56 HydrophobicContact CD2-CD2 4.06Å; L28-G59 WeakPolarHBondContact CB-O 3.3Å; L28-G59 PolarHBondContact N-O 3.47Å; L28-L61 HydrophobicContact CB-CD1 4.44Å; L28-L61 HydrophobicContact CD1-CD1 4.28Å
29S89.8Confident88Confident70 Ų7050.9 Ų50.949%0.4932%0.316SS..Hα-helixtrans-57.2-45.7171.650.20000112.1L27 V31 T32 A33L27-S29 WeakPolarHBondContact CB-OG 3.45Å; L27-S29 PolarHBondContact O-N 3.17Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.08Å; S29-T32 WeakPolarHBondContact CA-OG1 3.34Å; S29-T32 PolarHBondContact O-N 3.49Å; S29-T32 PolarHBondContact O-OG1 3.25Å; S29-A33 PolarHBondContact O-N 2.99Å
30T90.3Very high88Confident39 Ų3948.9 Ų48.924%0.23930%0.304CS..Hα-helixtrans-66-37178.1-48.30000111.2I18 L27 L28 A33I18-T30 HydrophobicContact CG2-CG2 3.82Å; L27-T30 WeakPolarHBondContact O-CB 3.47Å; L27-T30 PolarHBondContact O-N 3.48Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.18Å; T30-A33 PolarHBondContact O-N 2.8Å
31V90.4Very high88.1Confident0 Ų048.8 Ų48.80%030%0.303CS..Hα-helixtrans-64.6-47.2170.7-178.80000111.2I18 V26 L27 L28 S29 A33 Q34 F35 A38 L41 L61I18-V31 HydrophobicContact CD1-CG2 4.35Å; V26-V31 HydrophobicContact CG1-CG2 3.84Å; L27-V31 PolarHBondContact O-N 3.01Å; L28-V31 HydrophobicContact CD1-CB 4.42Å; L28-V31 PolarHBondContact O-N 2.85Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-V31 PolarHBondContact O-N 3.08Å; V31-A33 PolarHBondContact O-N 2.8Å; V31-Q34 PolarHBondContact O-N 2.88Å; V31-Q34 VanDerWaalsContact O-N 3.15Å; V31-F35 HydrophobicContact CG1-CD2 4.32Å; V31-F35 PolarHBondContact O-N 3.2Å; V31-A38 HydrophobicContact CG1-CB 3.99Å; V31-L41 HydrophobicContact CG1-CD2 4.02Å; V31-L41 HydrophobicContact CG2-CD1 4.36Å; V31-L61 HydrophobicContact CG2-CD1 3.81Å
32T89.1Confident88.2Confident48 Ų4848.9 Ų48.929%0.29430%0.3SS..Hα-helixtrans-67.4-19.8179.755.60000114.3L28 S29 Q34 F35 A38L28-T32 HydrophobicContact CD1-CG2 4.42Å; L28-T32 HydrophobicContact CG-CG2 4.32Å; L28-T32 WeakPolarHBondContact O-CG2 3.46Å; L28-T32 PolarHBondContact O-N 3.24Å; L28-T32 PolarHBondContact O-OG1 2.79Å; S29-T32 WeakPolarHBondContact CA-OG1 3.34Å; S29-T32 PolarHBondContact O-N 3.49Å; S29-T32 PolarHBondContact O-OG1 3.25Å; T32-Q34 VanDerWaalsContact C-N 3.32Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.55Å; T32-A38 HydrophobicContact CG2-CB 3.97Å; T32-A38 WeakPolarHBondContact CG2-O 3.4Å
33A89.1Confident88.5Confident77 Ų7743.4 Ų43.464%0.63627%0.269SS*.Hα-helixtrans-71-29174.400000112.4S29 T30 V31S29-A33 PolarHBondContact O-N 2.99Å; T30-A33 PolarHBondContact O-N 2.8Å; V31-A33 PolarHBondContact O-N 2.8Å
34Q88.7Confident88.6Confident109 Ų10942.9 Ų42.951%0.50926%0.259SS..Hα-helixtrans-95-34173.2-53-62.2-0.700112.2I18 V31 T32 P36I18-Q34 HydrophobicContact CD1-CB 4.21Å; I18-Q34 HydrophobicContact CD1-CG 3.97Å; I18-Q34 HydrophobicContact CG1-CG 4.31Å; V31-Q34 PolarHBondContact O-N 2.88Å; V31-Q34 VanDerWaalsContact O-N 3.15Å; T32-Q34 VanDerWaalsContact C-N 3.32Å; Q34-P36 WeakPolarHBondContact O-CD 3.48Å
35F88.5Confident88.6Confident12 Ų1242.5 Ų42.55%0.05325%0.25CS..SBendtrans-123.283.2-175.9-62.3-79.2000111V7 E9 I16 I18 V31 T32 G37 A38 V75V7-F35 HydrophobicContact CB-CE2 3.9Å; V7-F35 HydrophobicContact CG1-CD2 3.93Å; V7-F35 HydrophobicContact CG1-CE2 3.47Å; V7-F35 VanDerWaalsContact CG1-CE2 3.47Å; V7-F35 HydrophobicContact CG1-CZ 4.11Å; E9-F35 HydrophobicContact CB-CD1 4.31Å; E9-F35 HydrophobicContact CB-CE1 4.05Å; I16-F35 HydrophobicContact CB-CE2 4.47Å; I16-F35 HydrophobicContact CB-CZ 4.28Å; I16-F35 HydrophobicContact CD1-CE1 4.38Å; I16-F35 HydrophobicContact CD1-CE2 4.37Å; I16-F35 HydrophobicContact CD1-CZ 3.82Å; I16-F35 HydrophobicContact CG1-CZ 4.22Å; I18-F35 HydrophobicContact CD1-CD2 4.24Å; I18-F35 HydrophobicContact CD1-CE2 4.05Å; V31-F35 HydrophobicContact CG1-CD2 4.32Å; V31-F35 PolarHBondContact O-N 3.2Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.55Å; F35-G37 PolarHBondContact O-N 2.86Å; F35-A38 HydrophobicContact CB-CB 4.22Å; F35-A38 WeakPolarHBondContact O-CB 3.39Å; F35-A38 PolarHBondContact O-N 2.81Å; F35-A38 VanDerWaalsContact O-N 3.08Å; F35-V75 HydrophobicContact CB-CG1 4.5Å; F35-V75 HydrophobicContact CB-CG2 4.07Å; F35-V75 HydrophobicContact CD1-CG2 4.05Å; F35-V75 HydrophobicContact CD2-CG2 3.9Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.35Å; F35-V75 HydrophobicContact CG-CG2 3.73Å
36P84.1Confident88Confident107 Ų10745.9 Ų45.970%0.69527%0.273SS*.THydrogen-bonded Turntrans-56.4121.1-172.7-28.136.5000113.5Q34Q34-P36 WeakPolarHBondContact O-CD 3.48Å
37G82.2Confident87.4Confident48 Ų4852.2 Ų52.250%0.49531%0.311SS..THydrogen-bonded Turntrans89.84.3-179.700000115.5F35 C39 P78F35-G37 PolarHBondContact O-N 2.86Å; G37-C39 PolarHBondContact O-N 2.9Å; G37-P78 WeakPolarHBondContact O-CD 3.44Å
38A87Confident86.9Confident7 Ų752.4 Ų52.46%0.05832%0.317CS..  trans-52.5132.5170.500000112.1V31 T32 F35 V75 Y77V31-A38 HydrophobicContact CG1-CB 3.99Å; T32-A38 HydrophobicContact CG2-CB 3.97Å; T32-A38 WeakPolarHBondContact CG2-O 3.4Å; F35-A38 HydrophobicContact CB-CB 4.22Å; F35-A38 WeakPolarHBondContact O-CB 3.39Å; F35-A38 PolarHBondContact O-N 2.81Å; F35-A38 VanDerWaalsContact O-N 3.08Å; A38-V75 HydrophobicContact CB-CG1 3.56Å; A38-Y77 HydrophobicContact CB-CE1 4.42Å
39C86.9Confident86.4Confident55 Ų5556.2 Ų56.237%0.37233%0.334SS..  trans-109.11.3174.771.90000113.9G37 L56 N76 P78G37-C39 PolarHBondContact O-N 2.9Å; C39-L56 VanDerWaalsContact O-CD2 3.32Å; C39-L56 WeakPolarHBondContact O-CD2 3.42Å; C39-N76 PolarHBondContact N-O 2.79Å; C39-N76 PolarHBondContact SG-O 2.91Å; C39-N76 VanDerWaalsContact SG-O 3.33Å; C39-P78 HydrophobicContact CB-CB 4.45Å; C39-P78 VanDerWaalsContact SG-N 3.41Å
40G90.6Very high85.9Confident6 Ų656.3 Ų56.36%0.06233%0.334CS..EExtended strand (participates in β ladder)trans162-173.117500000112.5N76G40-N76 PolarHBondContact N-O 2.83Å; G40-N76 PolarHBondContact O-N 2.96Å
41L91.6Very high85.7Confident2 Ų257.9 Ų57.91%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-122.4156.2178-64.3-178.8000111.9I5 V7 V31 V54 L61 W68 V75 N76I5-L41 HydrophobicContact CD1-CD1 3.75Å; V7-L41 HydrophobicContact CG1-CD2 3.7Å; V7-L41 HydrophobicContact CG2-CD1 4.18Å; V7-L41 HydrophobicContact CG2-CD2 4.48Å; V31-L41 HydrophobicContact CG1-CD2 4.02Å; V31-L41 HydrophobicContact CG2-CD1 4.36Å; L41-V54 HydrophobicContact CB-CB 3.97Å; L41-V54 HydrophobicContact CB-CG2 3.64Å; L41-V54 WeakPolarHBondContact O-CB 3.03Å; L41-V54 PolarHBondContact O-N 2.72Å; L41-L61 HydrophobicContact CB-CD2 4.48Å; L41-L61 HydrophobicContact CD1-CD1 3.91Å; L41-L61 HydrophobicContact CG-CD1 3.93Å; L41-W68 HydrophobicContact CD1-CZ3 4.4Å; L41-V75 HydrophobicContact CD2-CG2 4.04Å; L41-N76 PolarHBondContact O-ND2 2.79Å
42R90.8Very high85.5Confident79 Ų7963.6 Ų63.630%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-137.3155.5169.150.9174.2171148.76.5108.9M51 R52 Y73 V74 V75 N76R42-M51 HydrophobicContact CB-CE 4.37Å; R42-M51 HydrophobicContact CG-CE 3.96Å; R42-R52 CarbonylContact C-O 3.55Å; R42-R52 WeakPolarHBondContact CA-O 3.2Å; R42-R52 WeakPolarHBondContact CB-O 3Å; R42-Y73 CarbonylContact O-C 3.53Å; R42-Y73 WeakPolarHBondContact O-CA 3.48Å; R42-V74 HydrophobicContact CG-CB 4.12Å; R42-V74 WeakPolarHBondContact CG-O 3.5Å; R42-V74 PolarHBondContact N-O 2.88Å; R42-V74 PolarHBondContact O-N 2.93Å; R42-V75 PolarHBondContact NE-O 3.36Å; R42-N76 WeakPolarHBondContact CD-OD1 3.46Å; R42-N76 WeakPolarHBondContact CG-OD1 3.26Å; R42-N76 PolarHBondContact NE-OD1 2.8Å
43Y89.6Confident85.4Confident20 Ų2064.2 Ų64.28%0.07838%0.377CS..EExtended strand (participates in β ladder)trans-136.6156.6174.869.4-81.2000110.9M51 R52 V54 P64 L71 Y73Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.5Å; Y43-R52 HydrophobicContact CD1-CB 4.12Å; Y43-R52 HydrophobicContact CE1-CB 3.66Å; Y43-R52 HydrophobicContact CE2-CB 4.28Å; Y43-R52 PolarHBondContact N-O 2.83Å; Y43-R52 PolarHBondContact O-N 3.19Å; Y43-R52 WeakPolarHBondContact OH-CD 3.4Å; Y43-R52 PolarHBondContact OH-NH1 3.41Å; Y43-V54 HydrophobicContact CD1-CG2 4.14Å; Y43-P64 HydrophobicContact CD1-CG 4.32Å; Y43-P64 HydrophobicContact CE1-CB 4.36Å; Y43-P64 HydrophobicContact CE1-CG 3.66Å; Y43-L71 HydrophobicContact CD2-CD1 3.86Å; Y43-L71 HydrophobicContact CE2-CD1 4.01Å; Y43-Y73 HydrophobicContact CD1-CD1 4.22Å; Y43-Y73 AromaticContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CG-CD1 4.28Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å
44R85.8Confident85.5Confident107 Ų10761.3 Ų61.340%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-86.7122.2176-164.5169.3-178.5137.2-6.7109.4E11 P46 Q49 M51E11-R44 VanDerWaalsContact CD-NH1 3.31Å; E11-R44 WeakPolarHBondContact OE1-CD 3.47Å; E11-R44 IonicContact OE1-CZ 3.52Å; E11-R44 IonicContact OE1-NH1 2.74Å; E11-R44 PolarHBondContact OE1-NH1 2.61Å; E11-R44 IonicContact OE2-NH1 2.72Å; E11-R44 PolarHBondContact OE2-NH1 2.88Å; E11-R44 VanDerWaalsContact OE2-NH1 3.07Å; R44-P46 WeakPolarHBondContact O-CD 3.36Å; R44-Q49 VanDerWaalsContact NH2-OE1 3.14Å; R44-M51 HydrophobicContact CB-SD 3.71Å; R44-M51 HydrophobicContact CG-SD 3.97Å
45N83.5Confident85.6Confident17 Ų1764.9 Ų64.99%0.09136%0.36CS..  trans-69.4118174.8178.218.2000109.5V47 S48 Q49 C50 R52N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 2.74Å; N45-S48 VanDerWaalsContact ND2-CB 3.29Å; N45-S48 WeakPolarHBondContact ND2-CB 3.47Å; N45-S48 PolarHBondContact ND2-N 3.17Å; N45-S48 PolarHBondContact ND2-OG 3Å; N45-S48 PolarHBondContact O-N 3.27Å; N45-Q49 VanDerWaalsContact O-CA 3.31Å; N45-Q49 WeakPolarHBondContact O-CA 3.14Å; N45-Q49 PolarHBondContact O-N 3.09Å; N45-C50 PolarHBondContact N-O 2.96Å; N45-R52 HydrophobicContact CB-CG 4.34Å; N45-R52 PolarHBondContact ND2-NH2 3.12Å
46P77Confident85.7Confident80 Ų8067.7 Ų67.752%0.51938%0.375SS..THydrogen-bonded Turntrans-58.7-35.3-178.321.7-33000112.6R44 Q49 L71R44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-Q49 PolarHBondContact O-NE2 3.33Å; P46-L71 HydrophobicContact CG-CD2 4.27Å
47V78.8Confident86Confident133 Ų13365.7 Ų65.781%0.80636%0.361SS*.THydrogen-bonded Turntrans-77.1-46.6-175.8-175.70000112.7N45N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 2.74Å
48S80.8Confident86.3Confident57 Ų5772.8 Ų72.840%0.39938%0.381SS..THydrogen-bonded Turntrans-100.3-4.6-175.281.60000114.7N45 C50N45-S48 VanDerWaalsContact ND2-CB 3.29Å; N45-S48 WeakPolarHBondContact ND2-CB 3.47Å; N45-S48 PolarHBondContact ND2-N 3.17Å; N45-S48 PolarHBondContact ND2-OG 3Å; N45-S48 PolarHBondContact O-N 3.27Å; S48-C50 PolarHBondContact O-N 2.93Å; S48-C50 PolarHBondContact O-SG 2.84Å; S48-C50 PolarHBondContact OG-SG 3.43Å
49Q80.6Confident86.3Confident107 Ų10773.8 Ų73.850%0.539%0.392SS..  trans578.7-175.3-66.1-65-48.900115.6R44 N45 P46R44-Q49 VanDerWaalsContact NH2-OE1 3.14Å; N45-Q49 VanDerWaalsContact O-CA 3.31Å; N45-Q49 WeakPolarHBondContact O-CA 3.14Å; N45-Q49 PolarHBondContact O-N 3.09Å; P46-Q49 PolarHBondContact O-NE2 3.33Å
50C78.8Confident86.5Confident72 Ų7273.9 Ų73.949%0.48639%0.388SS..  trans-84.1145.4175.7-48.80000110.9N45 S48N45-C50 PolarHBondContact N-O 2.96Å; S48-C50 PolarHBondContact O-N 2.93Å; S48-C50 PolarHBondContact O-SG 2.84Å; S48-C50 PolarHBondContact OG-SG 3.43Å
51M85.5Confident86.5Confident73 Ų7373.6 Ų73.636%0.3639%0.385SS..EExtended strand (participates in β ladder)trans-70.7131.8164.5-60.1-54.2-77.300110.2R42 Y43 R44 V74R42-M51 HydrophobicContact CB-CE 4.37Å; R42-M51 HydrophobicContact CG-CE 3.96Å; Y43-M51 CarbonylContact O-C 3.57Å; Y43-M51 WeakPolarHBondContact O-CA 3.5Å; R44-M51 HydrophobicContact CB-SD 3.71Å; R44-M51 HydrophobicContact CG-SD 3.97Å; M51-V74 HydrophobicContact CE-CB 4.36Å; M51-V74 HydrophobicContact CE-CG2 4.08Å
52R86.3Confident86.5Confident119 Ų11976.7 Ų76.745%0.44940%0.4SS..EExtended strand (participates in β ladder)trans-114.3137.7173.1-69.6-179.5169.7-172.3-6.4109R42 Y43 N45R42-R52 CarbonylContact C-O 3.55Å; R42-R52 WeakPolarHBondContact CA-O 3.2Å; R42-R52 WeakPolarHBondContact CB-O 3Å; Y43-R52 HydrophobicContact CD1-CB 4.12Å; Y43-R52 HydrophobicContact CE1-CB 3.66Å; Y43-R52 HydrophobicContact CE2-CB 4.28Å; Y43-R52 PolarHBondContact N-O 2.83Å; Y43-R52 PolarHBondContact O-N 3.19Å; Y43-R52 WeakPolarHBondContact OH-CD 3.4Å; Y43-R52 PolarHBondContact OH-NH1 3.41Å; N45-R52 HydrophobicContact CB-CG 4.34Å; N45-R52 PolarHBondContact ND2-NH2 3.12Å
53G87.7Confident86.2Confident61 Ų6174.8 Ų74.863%0.62940%0.4SS*.EExtended strand (participates in β ladder)trans-71.9147.3170.200000111.4
54V91.1Very high85.9Confident17 Ų1775 Ų7510%0.10340%0.404CS..  trans-80.5144162.4-179.40000108.3L41 Y43 L56 L61 H62 W68 Y73L41-V54 HydrophobicContact CB-CB 3.97Å; L41-V54 HydrophobicContact CB-CG2 3.64Å; L41-V54 WeakPolarHBondContact O-CB 3.03Å; L41-V54 PolarHBondContact O-N 2.72Å; Y43-V54 HydrophobicContact CD1-CG2 4.14Å; V54-L56 PolarHBondContact O-N 3.35Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG1-CD2 3.95Å; V54-H62 VanDerWaalsContact CG1-O 3.3Å; V54-H62 WeakPolarHBondContact CG1-O 3.32Å; V54-W68 HydrophobicContact CG1-CH2 3.91Å; V54-W68 HydrophobicContact CG1-CZ3 4.14Å; V54-W68 HydrophobicContact CG2-CZ3 4.43Å; V54-Y73 HydrophobicContact CG2-CD1 3.55Å; V54-Y73 HydrophobicContact CG2-CE1 3.68Å
55R90.8Very high85.4Confident184 Ų18480.1 Ų80.169%0.69443%0.433SS*.EExtended strand (participates in β ladder)trans-74.4113.4179177-172-68.7-117.72.6109.3V57 L61 H62R55-V57 HydrophobicContact CG-CG2 4.09Å; R55-L61 WeakPolarHBondContact O-CA 3.22Å; R55-H62 HydrophobicContact CB-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.1Å
56L90.7Very high85Confident71 Ų7184 Ų8437%0.37247%0.467SS..EExtended strand (participates in β ladder)trans-98.8129.4170.8-179.468.6000110.1L28 C39 V54 I60 L61L28-L56 HydrophobicContact CB-CD1 4.16Å; L28-L56 HydrophobicContact CD2-CD1 4.02Å; L28-L56 HydrophobicContact CD2-CD2 4.06Å; C39-L56 VanDerWaalsContact O-CD2 3.32Å; C39-L56 WeakPolarHBondContact O-CD2 3.42Å; V54-L56 PolarHBondContact O-N 3.35Å; L56-I60 WeakPolarHBondContact CA-O 3.18Å; L56-L61 HydrophobicContact CB-CD2 4.04Å; L56-L61 HydrophobicContact CD1-CD2 3.81Å; L56-L61 HydrophobicContact CD1-CG 3.95Å; L56-L61 HydrophobicContact CG-CD2 4.49Å
57V90.3Very high85.3Confident64 Ų6481.6 Ų81.639%0.38846%0.457SS..EExtended strand (participates in β ladder)trans-136.7121.5172.6178.80000108.1R55 G59 I60R55-V57 HydrophobicContact CG-CG2 4.09Å; V57-G59 PolarHBondContact O-N 3.02Å; V57-I60 PolarHBondContact N-O 3.33Å; V57-I60 WeakPolarHBondContact O-CA 3.49Å; V57-I60 WeakPolarHBondContact O-CB 3.32Å; V57-I60 PolarHBondContact O-N 2.67Å
58E88.9Confident85.6Confident197 Ų19775.5 Ų75.592%0.92142%0.419SS*.THydrogen-bonded Turntrans5225.6175-58.9-170.1152.700116.2
59G86.4Confident85.6Confident28 Ų2875.2 Ų75.229%0.28943%0.426SS..THydrogen-bonded Turntrans94.6-0.4-17600000114.6L28 V57L28-G59 WeakPolarHBondContact CB-O 3.3Å; L28-G59 PolarHBondContact N-O 3.47Å; V57-G59 PolarHBondContact O-N 3.02Å
60I90.7Very high85.7Confident57 Ų5777.2 Ų77.229%0.29244%0.44SS..EExtended strand (participates in β ladder)trans-101.6125.8177.2-53.8177.7000109.3T25 L27 L56 V57T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.7Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.39Å; L27-I60 HydrophobicContact CD2-CG1 4.07Å; L56-I60 WeakPolarHBondContact CA-O 3.18Å; V57-I60 PolarHBondContact N-O 3.33Å; V57-I60 WeakPolarHBondContact O-CA 3.49Å; V57-I60 WeakPolarHBondContact O-CB 3.32Å; V57-I60 PolarHBondContact O-N 2.67Å
61L91.8Very high86Confident0 Ų075.9 Ų75.90%043%0.428CS..EExtended strand (participates in β ladder)trans-94.5115.1174-64.7155.3000108.8T25 V26 L28 V31 L41 V54 R55 L56 W68T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.48Å; V26-L61 HydrophobicContact CB-CB 4.42Å; V26-L61 PolarHBondContact N-O 2.8Å; V26-L61 WeakPolarHBondContact O-CA 3.19Å; V26-L61 VanDerWaalsContact O-CB 3.25Å; V26-L61 WeakPolarHBondContact O-CB 3.43Å; V26-L61 PolarHBondContact O-N 3.49Å; L28-L61 HydrophobicContact CB-CD1 4.44Å; L28-L61 HydrophobicContact CD1-CD1 4.28Å; V31-L61 HydrophobicContact CG2-CD1 3.81Å; L41-L61 HydrophobicContact CB-CD2 4.48Å; L41-L61 HydrophobicContact CD1-CD1 3.91Å; L41-L61 HydrophobicContact CG-CD1 3.93Å; V54-L61 HydrophobicContact CB-CD2 4.29Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG1-CD2 3.95Å; R55-L61 WeakPolarHBondContact O-CA 3.22Å; L56-L61 HydrophobicContact CB-CD2 4.04Å; L56-L61 HydrophobicContact CD1-CD2 3.81Å; L56-L61 HydrophobicContact CD1-CG 3.95Å; L56-L61 HydrophobicContact CG-CD2 4.49Å; L61-W68 HydrophobicContact CB-CH2 4.1Å
62H90.1Very high86.1Confident68 Ų6875.6 Ų75.632%0.31543%0.43SS..EExtended strand (participates in β ladder)trans-87.4137.2177.4-60.3-83.3000111.2V54 R55V54-H62 VanDerWaalsContact CG1-O 3.3Å; V54-H62 WeakPolarHBondContact CG1-O 3.32Å; R55-H62 HydrophobicContact CB-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.1Å
63A85.9Confident86.3Confident38 Ų3870 Ų7031%0.31441%0.409SS..PPolyproline II helixtrans-54147.8173.700000112.3W68A63-W68 HydrophobicContact CB-CD2 4.19Å; A63-W68 HydrophobicContact CB-CG 4.28Å; A63-W68 HydrophobicContact CB-CZ2 4.24Å
64P82.7Confident86.4Confident25 Ų2567.3 Ų67.316%0.16238%0.381CS..PPolyproline II helixtrans-57.1165163.8-24.334.9000113Y43 A66 G67 Y73Y43-P64 HydrophobicContact CD1-CG 4.32Å; Y43-P64 HydrophobicContact CE1-CB 4.36Å; Y43-P64 HydrophobicContact CE1-CG 3.66Å; P64-A66 PolarHBondContact O-N 2.76Å; P64-G67 WeakPolarHBondContact CD-O 3.32Å; P64-G67 PolarHBondContact O-N 2.95Å; P64-Y73 HydrophobicContact CG-CE1 4.36Å
65E74.4Confident86.4Confident215 Ų21566.6 Ų66.6100%1.00538%0.376SS*.THydrogen-bonded Turntrans-58.4-15.4179.3-62.4174.7156.900114.6
66A74.9Confident86.2Confident97 Ų9760.3 Ų60.380%0.80236%0.356SS*.THydrogen-bonded Turntrans-102.412.6176.400000113.5P64P64-A66 PolarHBondContact O-N 2.76Å
67G83.7Confident86Confident30 Ų3060.6 Ų60.631%0.30935%0.353SS..  trans74.2-170.2-166.700000112.4P64P64-G67 WeakPolarHBondContact CD-O 3.32Å; P64-G67 PolarHBondContact O-N 2.95Å
68W85.2Confident85.4Confident5 Ų561 Ų612%0.01936%0.357CS..SBendtrans-76.4-51.8173.7-61.2103.2000111.5I5 G24 V26 L41 V54 L61 A63 Y73I5-W68 HydrophobicContact CB-CD2 4.31Å; I5-W68 HydrophobicContact CB-CE3 4.22Å; I5-W68 HydrophobicContact CB-CG 4.45Å; I5-W68 HydrophobicContact CD1-CE3 3.98Å; I5-W68 HydrophobicContact CD1-CH2 4.24Å; I5-W68 HydrophobicContact CD1-CZ3 3.81Å; I5-W68 HydrophobicContact CG2-CB 3.72Å; I5-W68 HydrophobicContact CG2-CD2 3.46Å; I5-W68 VanDerWaalsContact CG2-CD2 3.46Å; I5-W68 HydrophobicContact CG2-CE3 3.87Å; I5-W68 HydrophobicContact CG2-CG 3.37Å; G24-W68 PolarHBondContact O-NE1 3.42Å; V26-W68 HydrophobicContact CB-CH2 4.18Å; V26-W68 HydrophobicContact CB-CZ2 3.92Å; V26-W68 HydrophobicContact CG2-CH2 4.08Å; V26-W68 HydrophobicContact CG2-CZ2 3.56Å; L41-W68 HydrophobicContact CD1-CZ3 4.4Å; V54-W68 HydrophobicContact CG1-CH2 3.91Å; V54-W68 HydrophobicContact CG1-CZ3 4.14Å; V54-W68 HydrophobicContact CG2-CZ3 4.43Å; L61-W68 HydrophobicContact CB-CH2 4.1Å; A63-W68 HydrophobicContact CB-CD2 4.19Å; A63-W68 HydrophobicContact CB-CG 4.28Å; A63-W68 HydrophobicContact CB-CZ2 4.24Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.28Å; W68-Y73 HydrophobicContact CE3-CD2 4.29Å; W68-Y73 AromaticContact CE3-CE1 3.74Å; W68-Y73 HydrophobicContact CE3-CE1 3.74Å; W68-Y73 AromaticContact CE3-CE2 3.77Å; W68-Y73 HydrophobicContact CE3-CE2 3.77Å; W68-Y73 AromaticContact CE3-CZ 3.48Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.48Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.79Å; W68-Y73 HydrophobicContact CZ3-CE1 3.79Å; W68-Y73 HydrophobicContact CZ3-CE2 4.47Å; W68-Y73 PolarHBondContact O-OH 3.37Å; W68-Y73 VanDerWaalsContact O-OH 3.09Å
69G81.2Confident84.3Confident52 Ų5261.5 Ų61.554%0.53636%0.356SS..THydrogen-bonded Turntrans58.3-162.4177.300000114.3L71G69-L71 PolarHBondContact O-N 3.44Å
70N83.1Confident82.3Confident148 Ų14866.4 Ų66.479%0.79138%0.376SS*.THydrogen-bonded Turntrans-80.541.7177.4-74.6-38.2000112.8
71L85.3Confident80.2Confident44 Ų4472 Ų7223%0.2341%0.406CS..  trans-96.7145.2175.2-64.8174.1000110.4Y43 P46 G69 Y73Y43-L71 HydrophobicContact CD2-CD1 3.86Å; Y43-L71 HydrophobicContact CE2-CD1 4.01Å; P46-L71 HydrophobicContact CG-CD2 4.27Å; G69-L71 PolarHBondContact O-N 3.44Å; L71-Y73 HydrophobicContact CB-CD2 4.48Å; L71-Y73 HydrophobicContact CB-CE2 3.67Å; L71-Y73 WeakPolarHBondContact O-CD2 3.49Å; L71-Y73 WeakPolarHBondContact O-CE2 3.19Å
72V87.8Confident77.6Confident68 Ų6879.5 Ų79.541%0.41244%0.439SS..EExtended strand (participates in β ladder)trans-95.8128.2171.1-1790000109R6 T8 P15R6-V72 HydrophobicContact CB-CG2 4.4Å; T8-V72 HydrophobicContact CG2-CG1 3.65Å; P15-V72 HydrophobicContact CB-CG1 4.2Å
73Y90.4Very high75.4Confident0 Ų087.8 Ų87.80%047%0.467CS..EExtended strand (participates in β ladder)trans-104.7120.8-178.6-66.6-94.6000109R6 V7 T8 R42 Y43 V54 P64 W68 L71R6-Y73 PolarHBondContact O-N 2.95Å; V7-Y73 CarbonylContact C-O 3.53Å; V7-Y73 VanDerWaalsContact CA-O 3.26Å; V7-Y73 WeakPolarHBondContact CA-O 3.4Å; T8-Y73 PolarHBondContact N-O 3.14Å; R42-Y73 CarbonylContact O-C 3.53Å; R42-Y73 WeakPolarHBondContact O-CA 3.48Å; Y43-Y73 HydrophobicContact CD1-CD1 4.22Å; Y43-Y73 AromaticContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CD1-CE1 3.68Å; Y43-Y73 HydrophobicContact CG-CD1 4.28Å; Y43-Y73 AromaticContact CG-CE1 3.82Å; Y43-Y73 HydrophobicContact CG-CE1 3.82Å; V54-Y73 HydrophobicContact CG2-CD1 3.55Å; V54-Y73 HydrophobicContact CG2-CE1 3.68Å; P64-Y73 HydrophobicContact CG-CE1 4.36Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.28Å; W68-Y73 HydrophobicContact CE3-CD2 4.29Å; W68-Y73 AromaticContact CE3-CE1 3.74Å; W68-Y73 HydrophobicContact CE3-CE1 3.74Å; W68-Y73 AromaticContact CE3-CE2 3.77Å; W68-Y73 HydrophobicContact CE3-CE2 3.77Å; W68-Y73 AromaticContact CE3-CZ 3.48Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.48Å; W68-Y73 HydrophobicContact CZ3-CD1 4.05Å; W68-Y73 AromaticContact CZ3-CE1 3.79Å; W68-Y73 HydrophobicContact CZ3-CE1 3.79Å; W68-Y73 HydrophobicContact CZ3-CE2 4.47Å; W68-Y73 PolarHBondContact O-OH 3.37Å; W68-Y73 VanDerWaalsContact O-OH 3.09Å; L71-Y73 HydrophobicContact CB-CD2 4.48Å; L71-Y73 HydrophobicContact CB-CE2 3.67Å; L71-Y73 WeakPolarHBondContact O-CD2 3.49Å; L71-Y73 WeakPolarHBondContact O-CE2 3.19Å
74V90Very high73Confident6 Ų696.3 Ų96.34%0.03650%0.497CS..EExtended strand (participates in β ladder)trans-90.4135.7176.2-170.60000108.7T8 E9 E11 R42 M51T8-V74 HydrophobicContact CG2-CB 4.47Å; T8-V74 HydrophobicContact CG2-CG2 3.99Å; T8-V74 CarbonylContact O-C 3.53Å; T8-V74 WeakPolarHBondContact O-CA 3.41Å; E9-V74 WeakPolarHBondContact O-CG1 3.41Å; E11-V74 HydrophobicContact CG-CG2 4.22Å; R42-V74 HydrophobicContact CG-CB 4.12Å; R42-V74 WeakPolarHBondContact CG-O 3.5Å; R42-V74 PolarHBondContact N-O 2.88Å; R42-V74 PolarHBondContact O-N 2.93Å; M51-V74 HydrophobicContact CE-CB 4.36Å; M51-V74 HydrophobicContact CE-CG2 4.08Å
75V89.9Confident70.7Confident2 Ų2102.5 Ų102.51%0.01253%0.526CS..EExtended strand (participates in β ladder)trans-62.6146.5176.3175.30000110.8V7 T8 F35 A38 L41 R42 Y77V7-V75 HydrophobicContact CG1-CG2 3.61Å; T8-V75 WeakPolarHBondContact O-CG2 3.18Å; T8-V75 PolarHBondContact O-N 2.82Å; F35-V75 HydrophobicContact CB-CG1 4.5Å; F35-V75 HydrophobicContact CB-CG2 4.07Å; F35-V75 HydrophobicContact CD1-CG2 4.05Å; F35-V75 HydrophobicContact CD2-CG2 3.9Å; F35-V75 HydrophobicContact CE1-CG2 4.48Å; F35-V75 HydrophobicContact CE2-CG2 4.35Å; F35-V75 HydrophobicContact CG-CG2 3.73Å; A38-V75 HydrophobicContact CB-CG1 3.56Å; L41-V75 HydrophobicContact CD2-CG2 4.04Å; R42-V75 PolarHBondContact NE-O 3.36Å; V75-Y77 HydrophobicContact CB-CE2 4.28Å; V75-Y77 HydrophobicContact CG1-CD1 4.25Å; V75-Y77 HydrophobicContact CG1-CD2 4.08Å; V75-Y77 HydrophobicContact CG1-CE1 3.91Å; V75-Y77 HydrophobicContact CG1-CE2 3.75Å; V75-Y77 HydrophobicContact CG1-CG 4.33Å
76N87.8Confident69.4Low51 Ų5198.2 Ų98.227%0.27351%0.51SS..EExtended strand (participates in β ladder)trans-105.9125.4161.1-68.8-55.2000108.5C39 G40 L41 R42C39-N76 PolarHBondContact N-O 2.79Å; C39-N76 PolarHBondContact SG-O 2.91Å; C39-N76 VanDerWaalsContact SG-O 3.33Å; G40-N76 PolarHBondContact N-O 2.83Å; G40-N76 PolarHBondContact O-N 2.96Å; L41-N76 PolarHBondContact O-ND2 2.79Å; R42-N76 WeakPolarHBondContact CD-OD1 3.46Å; R42-N76 WeakPolarHBondContact CG-OD1 3.26Å; R42-N76 PolarHBondContact NE-OD1 2.8Å
77Y85.6Confident67.7Low77 Ų77102.9 Ų102.930%0.30252%0.515SS..  trans-96.6150.4166.3-66.9-72.3000110.6E9 A38 V75 K79E9-Y77 HydrophobicContact CG-CE2 4.13Å; E9-Y77 WeakPolarHBondContact OE1-CE2 3.34Å; E9-Y77 PolarHBondContact OE1-OH 2.75Å; A38-Y77 HydrophobicContact CB-CE1 4.42Å; V75-Y77 HydrophobicContact CB-CE2 4.28Å; V75-Y77 HydrophobicContact CG1-CD1 4.25Å; V75-Y77 HydrophobicContact CG1-CD2 4.08Å; V75-Y77 HydrophobicContact CG1-CE1 3.91Å; V75-Y77 HydrophobicContact CG1-CE2 3.75Å; V75-Y77 HydrophobicContact CG1-CG 4.33Å; Y77-K79 PolarHBondContact O-N 3.39Å
78P78.4Confident65.5Low74 Ų74106.5 Ų106.548%0.48153%0.531SS..  trans-61.6123.6172.326.9-32.6000108.1G37 C39 D80G37-P78 WeakPolarHBondContact O-CD 3.44Å; C39-P78 HydrophobicContact CB-CB 4.45Å; C39-P78 VanDerWaalsContact SG-N 3.41Å; P78-D80 PolarHBondContact O-N 3.07Å
79K65.3Low63.3Low206 Ų206114.1 Ų114.190%0.89657%0.572SS**  trans-73.979.8170.6-72.9-174.3178.9178.70108.8Y77 N81Y77-K79 PolarHBondContact O-N 3.39Å; K79-N81 PolarHBondContact O-N 3.15Å; K79-N81 VanDerWaalsContact O-N 3.15Å
80D44.7Very low61.3Low131 Ų131115.7 Ų115.770%0.70158%0.58SS**  trans-49.1120.3167.9-112.6-32.4000108.5P78 K82P78-D80 PolarHBondContact O-N 3.07Å; D80-K82 HydrophobicContact CB-CB 4.34Å; D80-K82 PolarHBondContact O-N 3.19Å
81N45.1Very low58.9Low175 Ų175114 Ų11494%0.93658%0.58SS**SBendtrans-80.245-174.4-154.942.7000111K79K79-N81 PolarHBondContact O-N 3.15Å; K79-N81 VanDerWaalsContact O-N 3.15Å
82K37.3Very low56.7Low158 Ų158117 Ų11769%0.68760%0.604SS**SBendtrans-141.670.6-157.1-166.4-175.8-178.3-175.60110.7D80D80-K82 HydrophobicContact CB-CB 4.34Å; D80-K82 PolarHBondContact O-N 3.19Å
83R45.7Very low54.8Low242 Ų242118.5 Ų118.591%0.91363%0.625SS**  trans50.975.9159.5-48.1177.7-154.6153.44.7114.6M85R83-M85 PolarHBondContact O-N 2.78Å; R83-M85 VanDerWaalsContact O-N 3.12Å
84K35.1Very low52.3Low217 Ų217125.1 Ų125.194%0.94366%0.664SS**  trans-71107.8170.5-140-174.6-173.8-165.50109.7
85M33.8Very low49.9Very low155 Ų155134.8 Ų134.876%0.76471%0.706SS**  trans-81173165.7-150.5167.475.600109.1R83R83-M85 PolarHBondContact O-N 2.78Å; R83-M85 VanDerWaalsContact O-N 3.12Å
86D47Very low47.3Very low124 Ų124140.6 Ų140.666%0.66374%0.741SS**  trans-42.6149.4-179.5-96.8-89.7000115.5T88D86-T88 PolarHBondContact OD1-OG1 2.93Å
87E39.3Very low44.9Very low196 Ų196148.2 Ų148.292%0.91677%0.772SS**  -131.8173.761.3-151.6154.4104.300115.6
88T37.7Very low42.5Very low105 Ų105155.3 Ų155.364%0.64480%0.798SS**  trans-135133.5-165-670000111.4D86D86-T88 PolarHBondContact OD1-OG1 2.93Å
89D38.9Very low40.7Very low165 Ų165155.1 Ų155.188%0.88280%0.803SS**  trans-149.7167142.9-138.2-33000112.5
90A39.6Very low39.4Very low85 Ų85151 Ų15170%0.70279%0.794SS**  trans-121.6128.9-149.100000116.5
91S33Very low39.5Very low113 Ų113149.1 Ų149.179%0.7978%0.782SS**  trans-164.1164.6139.2-154.70000113.8
92S37.6Very low39.8Very low106 Ų106147.4 Ų147.474%0.74177%0.766SS**  trans57.252.7154.5-62.70000120.7
93A47.7Very low40.8Very low101 Ų101140.6 Ų140.684%0.83574%0.737SS**  trans33.996.1132.400000120.5
94V37.9Very low42Very low138 Ų138131 Ų13184%0.83671%0.708SS**  trans-122.5134.3148.6-179.50000110V96V94-V96 PolarHBondContact O-N 3.19Å; V94-V96 VanDerWaalsContact O-N 3.15Å
95K41.4Very low44.1Very low210 Ų210123.6 Ų123.691%0.91368%0.678SS**  trans-76.498.4-172.1-68.1170.7-179.6167.60112.5
96V35.3Very low46.5Very low124 Ų124116.2 Ų116.275%0.75264%0.642SS**  trans-119.2115.3153.7179.40000108.2V94 R98V94-V96 PolarHBondContact O-N 3.19Å; V94-V96 VanDerWaalsContact O-N 3.15Å; V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 2.86Å
97K35.6Very low48.4Very low210 Ų210111.5 Ų111.591%0.91362%0.616SS**  trans-72.384.7177.1-70.9-177.1179.11780110A99K97-A99 PolarHBondContact O-N 3.47Å
98R36.5Very low50.8Low226 Ų226102.1 Ų102.185%0.85357%0.573SS**  trans-55.7128.5154.2-78.2-179.6171.3164.3-3.3107.3V96 V100V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 2.86Å; R98-V100 PolarHBondContact O-N 3.17Å
99A39.3Very low53.1Low70 Ų70100.3 Ų100.358%0.57956%0.559SS**  trans-65.3106.3169.900000107.7K97 Q101K97-A99 PolarHBondContact O-N 3.47Å; A99-Q101 PolarHBondContact O-N 3.38Å; A99-Q101 VanDerWaalsContact O-N 3.07Å
100V38.5Very low55.4Low119 Ų11993.7 Ų93.772%0.72153%0.529SS*.  trans-62.1114175.1178.40000107.2R98 K102R98-V100 PolarHBondContact O-N 3.17Å; V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 3.45Å
101Q47.5Very low57.8Low93 Ų9389.6 Ų89.644%0.43550%0.496SS..  trans-61.791.8169.2-79.5-71.9-28.400107.9A99 T103 Y155A99-Q101 PolarHBondContact O-N 3.38Å; A99-Q101 VanDerWaalsContact O-N 3.07Å; Q101-T103 PolarHBondContact O-N 3.33Å; Q101-Y155 HydrophobicContact CB-CD2 4.46Å; Q101-Y155 HydrophobicContact CB-CG 4.32Å
102K52.1Low60.4Low139 Ų13984.8 Ų84.860%0.60446%0.462SS*.  trans-63.9109-172.3-69.6175.9-177.6171.40109.4V100 S104V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 3.45Å; K102-S104 PolarHBondContact O-N 3.34Å; K102-S104 PolarHBondContact O-OG 2.97Å
103T57.8Low62.8Low14 Ų1488.9 Ų88.99%0.08646%0.461CS..  trans-54.8131.7170.858.10000109.8Q101 R151 F152 T153Q101-T103 PolarHBondContact O-N 3.33Å; T103-R151 PolarHBondContact O-NE 2.86Å; T103-R151 PolarHBondContact O-NH2 3.27Å; T103-R151 PolarHBondContact OG1-NE 2.92Å; T103-F152 VanDerWaalsContact CB-O 3.27Å; T103-F152 WeakPolarHBondContact CB-O 3.28Å; T103-F152 WeakPolarHBondContact CG2-O 3.37Å; T103-F152 PolarHBondContact OG1-O 3.49Å; T103-T153 WeakPolarHBondContact CG2-O 3.17Å
104S71.3Confident64.8Low42 Ų4291 Ų9129%0.29445%0.452SS..  trans-113.2136.5-170.7-640000109K102 L106 Q158K102-S104 PolarHBondContact O-N 3.34Å; K102-S104 PolarHBondContact O-OG 2.97Å; S104-L106 PolarHBondContact O-N 2.97Å; S104-Q158 PolarHBondContact O-OE1 3.44Å
105D79.2Confident67.1Low60 Ų6084.6 Ų84.632%0.32141%0.413SS..  trans-58.3112.4-178.5-51.9-20000109.7M132 F149 R151 P178D105-M132 HydrophobicContact CB-CE 4.24Å; D105-M132 VanDerWaalsContact OD1-CE 3.28Å; D105-M132 WeakPolarHBondContact OD1-CE 3.46Å; D105-M132 VanDerWaalsContact OD2-CE 3.31Å; D105-M132 WeakPolarHBondContact OD2-CE 3.4Å; D105-F149 HydrophobicContact CB-CD1 4.26Å; D105-R151 WeakPolarHBondContact OD1-CD 3.31Å; D105-P178 WeakPolarHBondContact O-CD 3.44Å; D105-P178 VanDerWaalsContact O-CG 3.23Å; D105-P178 WeakPolarHBondContact O-CG 3.43Å
106L84Confident69.4Low0 Ų077.3 Ų77.30%039%0.386CS..EExtended strand (participates in β ladder)trans-77.3137175.3-64.2-175000109.9S104 F149 V150 F152 Q158 V161 M162 K176 L177S104-L106 PolarHBondContact O-N 2.97Å; L106-F149 CarbonylContact O-C 3.58Å; L106-F149 WeakPolarHBondContact O-CA 3.41Å; L106-V150 HydrophobicContact CB-CG1 3.93Å; L106-V150 PolarHBondContact N-O 3.34Å; L106-V150 PolarHBondContact O-N 3.47Å; L106-F152 HydrophobicContact CD1-CD2 4.5Å; L106-F152 HydrophobicContact CD1-CE2 4.19Å; L106-Q158 HydrophobicContact CD1-CG 3.74Å; L106-Q158 HydrophobicContact CD2-CG 3.69Å; L106-Q158 HydrophobicContact CG-CG 3.71Å; L106-V161 HydrophobicContact CD1-CB 4.27Å; L106-V161 HydrophobicContact CD1-CG1 3.73Å; L106-M162 HydrophobicContact CD1-CG 3.84Å; L106-M162 HydrophobicContact CD2-CG 3.58Å; L106-M162 HydrophobicContact CD2-SD 3.56Å; L106-M162 VanDerWaalsContact CD2-SD 3.56Å; L106-M162 HydrophobicContact CG-CG 4.38Å; L106-K176 CarbonylContact C-O 3.6Å; L106-K176 WeakPolarHBondContact CA-O 3.12Å; L106-L177 HydrophobicContact CD2-CD2 3.89Å; L106-L177 HydrophobicContact CD2-CG 4.11Å
107I86.9Confident71.9Confident25 Ų2574.7 Ų74.713%0.12837%0.365CS..EExtended strand (participates in β ladder)trans-87.4123.1167.9-169.1168.7000109.7L109 F147 G148 F149 K176 P178I107-L109 HydrophobicContact CD1-CD2 3.72Å; I107-L109 HydrophobicContact CD1-CG 4.48Å; I107-L109 HydrophobicContact CG1-CD2 3.85Å; I107-L109 HydrophobicContact CG1-CG 4.17Å; I107-L109 HydrophobicContact CG2-CD1 4.48Å; I107-L109 HydrophobicContact CG2-CG 4.3Å; I107-F147 HydrophobicContact CD1-CD2 3.66Å; I107-F147 HydrophobicContact CD1-CE2 4.14Å; I107-F147 HydrophobicContact CD1-CG 4.33Å; I107-F147 HydrophobicContact CG1-CB 4.46Å; I107-F147 HydrophobicContact CG1-CD2 4.03Å; I107-G148 CarbonylContact C-O 3.55Å; I107-G148 WeakPolarHBondContact CA-O 3.45Å; I107-F149 HydrophobicContact CB-CD1 4.21Å; I107-F149 HydrophobicContact CB-CE1 3.94Å; I107-F149 HydrophobicContact CD1-CE1 4.23Å; I107-F149 HydrophobicContact CD1-CZ 4.11Å; I107-F149 HydrophobicContact CG1-CE1 4.16Å; I107-F149 HydrophobicContact CG1-CZ 4.37Å; I107-K176 HydrophobicContact CG2-CB 4.39Å; I107-K176 WeakPolarHBondContact CG2-O 3.25Å; I107-K176 PolarHBondContact N-O 2.86Å; I107-K176 PolarHBondContact O-N 3.4Å; I107-P178 HydrophobicContact CB-CB 4.08Å; I107-P178 HydrophobicContact CG2-CB 3.95Å
108V88.5Confident74.4Confident0 Ų070.8 Ų70.80%035%0.35CS..EExtended strand (participates in β ladder)trans-94.4110.6173.5-168.50000107.4L111 L120 F124 F147 G148 V150 I168 C173V108-L111 HydrophobicContact CB-CD1 4.5Å; V108-L111 HydrophobicContact CB-CD2 4.36Å; V108-L111 HydrophobicContact CB-CG 4.45Å; V108-L111 HydrophobicContact CG1-CD2 3.59Å; V108-L111 HydrophobicContact CG1-CG 4.09Å; V108-L120 HydrophobicContact CB-CD2 4.44Å; V108-L120 HydrophobicContact CG2-CD2 4.23Å; V108-F124 HydrophobicContact CG1-CE2 4.23Å; V108-F124 HydrophobicContact CG1-CZ 4.05Å; V108-F124 HydrophobicContact CG2-CE2 3.76Å; V108-F124 HydrophobicContact CG2-CZ 3.87Å; V108-F147 WeakPolarHBondContact O-CA 3.25Å; V108-F147 WeakPolarHBondContact O-CB 3.11Å; V108-G148 PolarHBondContact N-O 3.41Å; V108-G148 PolarHBondContact O-N 3.37Å; V108-G148 VanDerWaalsContact O-N 3.1Å; V108-V150 HydrophobicContact CG2-CB 4.35Å; V108-V150 HydrophobicContact CG2-CG1 3.63Å; V108-I168 HydrophobicContact CG1-CD1 4.31Å; V108-C173 HydrophobicContact CG1-CB 4.15Å
109L87.4Confident77Confident67 Ų6762.8 Ų62.835%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-102.3139-174.5-66.9171.2000111.3I107 F147 C173 D174 K176I107-L109 HydrophobicContact CD1-CD2 3.72Å; I107-L109 HydrophobicContact CD1-CG 4.48Å; I107-L109 HydrophobicContact CG1-CD2 3.85Å; I107-L109 HydrophobicContact CG1-CG 4.17Å; I107-L109 HydrophobicContact CG2-CD1 4.48Å; I107-L109 HydrophobicContact CG2-CG 4.3Å; L109-F147 HydrophobicContact CD2-CB 4.07Å; L109-C173 VanDerWaalsContact O-CA 3.31Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; L109-D174 PolarHBondContact N-O 2.85Å; L109-D174 PolarHBondContact O-N 3.23Å; L109-K176 HydrophobicContact CD1-CD 4.39Å
110G86Confident79.4Confident25 Ų2559.5 Ų59.526%0.25830%0.297SS..SBendtrans89.818.2175.200000114.4G146 R171G110-G146 CarbonylContact C-O 3.56Å; G110-G146 PolarHBondContact N-O 2.85Å; G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 PolarHBondContact O-NE 3.31Å
111L90.3Very high81.8Confident0 Ų059 Ų590%029%0.285CS..  trans-56.9143.9176.4-65.1175.7000111.7V108 L120 V135 G146 I168V108-L111 HydrophobicContact CB-CD1 4.5Å; V108-L111 HydrophobicContact CB-CD2 4.36Å; V108-L111 HydrophobicContact CB-CG 4.45Å; V108-L111 HydrophobicContact CG1-CD2 3.59Å; V108-L111 HydrophobicContact CG1-CG 4.09Å; L111-L120 HydrophobicContact CD1-CD1 3.88Å; L111-L120 HydrophobicContact CD1-CD2 3.9Å; L111-L120 HydrophobicContact CD1-CG 4.48Å; L111-L120 HydrophobicContact CD2-CD1 3.84Å; L111-L120 HydrophobicContact CD2-CD2 4.32Å; L111-L120 HydrophobicContact CD2-CG 4.32Å; L111-L120 HydrophobicContact CG-CD1 4.5Å; L111-V135 HydrophobicContact CD1-CG2 4.37Å; L111-G146 PolarHBondContact N-O 3.3Å; L111-G146 WeakPolarHBondContact O-CA 3.24Å; L111-I168 HydrophobicContact CD2-CD1 3.89Å
112P88.5Confident83.8Confident12 Ų1260 Ų608%0.07829%0.29CS..  trans-57.4149.3162.7-10.820000111.6K114 T115 D169 R171P112-K114 VanDerWaalsContact C-N 3.25Å; P112-K114 HydrophobicContact CB-CG 4Å; P112-K114 PolarHBondContact O-N 2.87Å; P112-T115 VanDerWaalsContact CB-OG1 3.23Å; P112-T115 WeakPolarHBondContact CB-OG1 3.48Å; P112-T115 VanDerWaalsContact CD-OG1 3.25Å; P112-T115 WeakPolarHBondContact CD-OG1 3.31Å; P112-T115 WeakPolarHBondContact CG-OG1 3.49Å; P112-T115 PolarHBondContact O-N 3.42Å; P112-T115 PolarHBondContact O-OG1 3.48Å; P112-D169 HydrophobicContact CG-CB 3.86Å; P112-R171 HydrophobicContact CG-CB 3.85Å
113W87.6Confident85.6Confident191 Ų19156.2 Ų56.272%0.72327%0.272SS*.THydrogen-bonded Turntrans-72.6-18.8179.8-61.5-39.3000114.1S144W113-S144 WeakPolarHBondContact O-CB 3.33Å
114K88.2Confident87.2Confident147 Ų14755.5 Ų55.564%0.63927%0.268SS*.THydrogen-bonded Turntrans-78.8-23.6176.258.8161.6-177.1155.70113.5P112 D169P112-K114 VanDerWaalsContact C-N 3.25Å; P112-K114 HydrophobicContact CB-CG 4Å; P112-K114 PolarHBondContact O-N 2.87Å; K114-D169 WeakPolarHBondContact CE-OD2 3.4Å; K114-D169 IonicContact NZ-OD1 2.74Å; K114-D169 IonicContact NZ-OD2 3.06Å
115T87.3Confident88Confident3 Ų356.3 Ų56.32%0.01827%0.274CS..  trans-70.7132.1-169.8-41.30000111.1P112 D119 L120 I168 D169P112-T115 VanDerWaalsContact CB-OG1 3.23Å; P112-T115 WeakPolarHBondContact CB-OG1 3.48Å; P112-T115 VanDerWaalsContact CD-OG1 3.25Å; P112-T115 WeakPolarHBondContact CD-OG1 3.31Å; P112-T115 WeakPolarHBondContact CG-OG1 3.49Å; P112-T115 PolarHBondContact O-N 3.42Å; P112-T115 PolarHBondContact O-OG1 3.48Å; T115-D119 HydrophobicContact CG2-CB 3.73Å; T115-L120 HydrophobicContact CG2-CD1 3.5Å; T115-I168 HydrophobicContact CG2-CG2 3.74Å; T115-D169 WeakPolarHBondContact CB-OD2 3.3Å; T115-D169 PolarHBondContact OG1-OD2 3.27Å
116T89.5Confident88.5Confident56 Ų5658.4 Ų58.434%0.34429%0.289SS..  trans-95.8174.1-177.673.70000112Q118 D119 L120T116-Q118 PolarHBondContact O-N 3.05Å; T116-Q118 PolarHBondContact OG1-N 2.95Å; T116-D119 WeakPolarHBondContact CA-OD2 3.48Å; T116-D119 VanDerWaalsContact CB-OD2 3.28Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.37Å; T116-D119 PolarHBondContact N-OD2 3.49Å; T116-D119 PolarHBondContact OG1-N 3.3Å; T116-D119 PolarHBondContact OG1-OD1 3.1Å; T116-D119 PolarHBondContact OG1-OD2 3.3Å; T116-L120 WeakPolarHBondContact O-CD1 3.18Å; T116-L120 PolarHBondContact O-N 3.2Å
117E87.9Confident88.6Confident70 Ų7061.5 Ų61.533%0.32730%0.302SS..Hα-helixtrans-69.1-26.2173.8-72.7157.7149.400112.1K121 V133 Q134 V135E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 2.67Å; E117-K121 VanDerWaalsContact O-N 3.08Å; E117-V133 HydrophobicContact CB-CG1 4.19Å; E117-V133 HydrophobicContact CG-CG1 4.34Å; E117-V133 WeakPolarHBondContact O-CG1 3.37Å; E117-Q134 VanDerWaalsContact OE1-CA 3.31Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.27Å; E117-V135 HydrophobicContact CG-CB 3.75Å; E117-V135 HydrophobicContact CG-CG2 3.64Å; E117-V135 VanDerWaalsContact CG-N 3.28Å; E117-V135 PolarHBondContact OE1-N 2.85Å
118Q88.3Confident88.5Confident127 Ų12761.4 Ų61.459%0.59331%0.307SS*.Hα-helixtrans-75.2-45.7176.3-178.8163.5-16.100111.3T116 L120 K121 E122T116-Q118 PolarHBondContact O-N 3.05Å; T116-Q118 PolarHBondContact OG1-N 2.95Å; Q118-L120 VanDerWaalsContact C-N 3.26Å; Q118-L120 PolarHBondContact O-N 3.08Å; Q118-K121 WeakPolarHBondContact O-CA 3.48Å; Q118-K121 PolarHBondContact O-N 2.72Å; Q118-E122 HydrophobicContact CG-CG 4.32Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 2.78Å; Q118-E122 PolarHBondContact O-N 3.49Å
119D90.2Very high88.3Confident59 Ų5967.6 Ų67.632%0.31634%0.336SS..Hα-helixtrans-59.6-38.9177.2-45.2-48.9000111.4T115 T116 Y123T115-D119 HydrophobicContact CG2-CB 3.73Å; T116-D119 WeakPolarHBondContact CA-OD2 3.48Å; T116-D119 VanDerWaalsContact CB-OD2 3.28Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 WeakPolarHBondContact CG2-OD2 3.37Å; T116-D119 PolarHBondContact N-OD2 3.49Å; T116-D119 PolarHBondContact OG1-N 3.3Å; T116-D119 PolarHBondContact OG1-OD1 3.1Å; T116-D119 PolarHBondContact OG1-OD2 3.3Å; D119-Y123 VanDerWaalsContact O-CB 3.25Å; D119-Y123 WeakPolarHBondContact O-CB 3.5Å; D119-Y123 PolarHBondContact O-N 2.99Å
120L89.9Confident88.2Confident0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-63.7-44.2171.2-98.281.9000111.8V108 L111 T115 T116 Q118 Y123 F124 V133 V135V108-L120 HydrophobicContact CB-CD2 4.44Å; V108-L120 HydrophobicContact CG2-CD2 4.23Å; L111-L120 HydrophobicContact CD1-CD1 3.88Å; L111-L120 HydrophobicContact CD1-CD2 3.9Å; L111-L120 HydrophobicContact CD1-CG 4.48Å; L111-L120 HydrophobicContact CD2-CD1 3.84Å; L111-L120 HydrophobicContact CD2-CD2 4.32Å; L111-L120 HydrophobicContact CD2-CG 4.32Å; L111-L120 HydrophobicContact CG-CD1 4.5Å; T115-L120 HydrophobicContact CG2-CD1 3.5Å; T116-L120 WeakPolarHBondContact O-CD1 3.18Å; T116-L120 PolarHBondContact O-N 3.2Å; Q118-L120 VanDerWaalsContact C-N 3.26Å; Q118-L120 PolarHBondContact O-N 3.08Å; L120-Y123 PolarHBondContact O-N 2.98Å; L120-F124 HydrophobicContact CB-CD2 4.3Å; L120-F124 HydrophobicContact CD2-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 HydrophobicContact CG-CD2 4.31Å; L120-F124 HydrophobicContact CG-CE2 4.06Å; L120-F124 WeakPolarHBondContact O-CB 3.28Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å; L120-F124 PolarHBondContact O-N 3.2Å; L120-V133 HydrophobicContact CB-CG1 3.57Å; L120-V133 HydrophobicContact CD2-CG1 3.98Å; L120-V133 HydrophobicContact CG-CG1 4.4Å; L120-V135 HydrophobicContact CD1-CG2 4.07Å; L120-V135 HydrophobicContact CD2-CG2 4.33Å
121K88.8Confident87.8Confident108 Ų10867.9 Ų67.947%0.4733%0.332SS..Hα-helixtrans-63.1-49.7-179.1-167.2-179.6-178.6-177.60110.7E117 Q118 Y123 F124 S125 V130 V133E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 2.67Å; E117-K121 VanDerWaalsContact O-N 3.08Å; Q118-K121 WeakPolarHBondContact O-CA 3.48Å; Q118-K121 PolarHBondContact O-N 2.72Å; K121-Y123 VanDerWaalsContact C-N 3.33Å; K121-Y123 PolarHBondContact O-N 2.61Å; K121-F124 PolarHBondContact O-N 3.49Å; K121-S125 VanDerWaalsContact O-CB 3.31Å; K121-S125 WeakPolarHBondContact O-CB 3.45Å; K121-S125 PolarHBondContact O-N 2.85Å; K121-S125 PolarHBondContact O-OG 3.24Å; K121-V130 HydrophobicContact CG-CB 4.32Å; K121-V130 HydrophobicContact CG-CG1 4.35Å; K121-V133 HydrophobicContact CB-CG2 3.82Å; K121-V133 HydrophobicContact CG-CG2 4.16Å
122E90.6Very high87.1Confident115 Ų11571.4 Ų71.454%0.53735%0.349SS..Hα-helixtrans-59.8-43179.2-69.8177.1-163.100111.5Q118Q118-E122 HydrophobicContact CG-CG 4.32Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 2.78Å; Q118-E122 PolarHBondContact O-N 3.49Å
123Y90.4Very high87.1Confident59 Ų5972.1 Ų72.123%0.23135%0.354CS..Hα-helixtrans-64-49174.6-180-98.7000112.9D119 L120 K121 T126 F127 H166 M167 I168D119-Y123 VanDerWaalsContact O-CB 3.25Å; D119-Y123 WeakPolarHBondContact O-CB 3.5Å; D119-Y123 PolarHBondContact O-N 2.99Å; L120-Y123 PolarHBondContact O-N 2.98Å; K121-Y123 VanDerWaalsContact C-N 3.33Å; K121-Y123 PolarHBondContact O-N 2.61Å; Y123-T126 WeakPolarHBondContact O-CB 3.41Å; Y123-T126 PolarHBondContact O-N 3.5Å; Y123-T126 PolarHBondContact O-OG1 3.06Å; Y123-F127 AromaticContact CE1-CE2 3.91Å; Y123-F127 HydrophobicContact CE1-CE2 3.91Å; Y123-H166 HydrophobicContact CE1-CB 3.72Å; Y123-H166 AromaticContact CE1-CG 3.78Å; Y123-H166 AromaticContact CE1-ND1 3.32Å; Y123-H166 VanDerWaalsContact CE1-ND1 3.32Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.42Å; Y123-H166 AromaticContact CZ-ND1 3.56Å; Y123-H166 WeakPolarHBondContact OH-CA 3.25Å; Y123-H166 WeakPolarHBondContact OH-CB 3.43Å; Y123-H166 PolarHBondContact OH-ND1 2.87Å; Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 3.33Å; Y123-I168 HydrophobicContact CD1-CD1 3.8Å; Y123-I168 HydrophobicContact CD1-CG1 3.75Å; Y123-I168 HydrophobicContact CD2-CG1 4.43Å; Y123-I168 HydrophobicContact CE1-CD1 3.96Å; Y123-I168 HydrophobicContact CE1-CG1 3.77Å; Y123-I168 HydrophobicContact CE2-CG1 4.47Å; Y123-I168 HydrophobicContact CG-CD1 4.5Å; Y123-I168 HydrophobicContact CG-CG1 4.1Å
124F89.9Confident86.9Confident0 Ų067.2 Ų67.20%034%0.339CS..Hα-helixtrans-75.7-25.3-175.7-76.6-62000114V108 L120 K121 T126 F127 V130 V150 F152 V161 H166 I168 C175V108-F124 HydrophobicContact CG1-CE2 4.23Å; V108-F124 HydrophobicContact CG1-CZ 4.05Å; V108-F124 HydrophobicContact CG2-CE2 3.76Å; V108-F124 HydrophobicContact CG2-CZ 3.87Å; L120-F124 HydrophobicContact CB-CD2 4.3Å; L120-F124 HydrophobicContact CD2-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 HydrophobicContact CG-CD2 4.31Å; L120-F124 HydrophobicContact CG-CE2 4.06Å; L120-F124 WeakPolarHBondContact O-CB 3.28Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å; L120-F124 PolarHBondContact O-N 3.2Å; K121-F124 PolarHBondContact O-N 3.49Å; F124-T126 PolarHBondContact O-N 2.87Å; F124-T126 VanDerWaalsContact O-N 3.1Å; F124-F127 HydrophobicContact CD1-CD2 4.19Å; F124-F127 HydrophobicContact CD1-CE2 4.46Å; F124-F127 PolarHBondContact O-N 3.03Å; F124-V130 HydrophobicContact CB-CG2 3.8Å; F124-V150 HydrophobicContact CB-CG2 4.14Å; F124-V150 HydrophobicContact CD2-CB 4.33Å; F124-V150 HydrophobicContact CD2-CG1 4.34Å; F124-V150 HydrophobicContact CD2-CG2 4.06Å; F124-V150 HydrophobicContact CE2-CG1 4.36Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; F124-F152 HydrophobicContact CB-CE1 4.12Å; F124-F152 HydrophobicContact CB-CZ 3.88Å; F124-F152 AromaticContact CD1-CZ 3.9Å; F124-F152 HydrophobicContact CD1-CZ 3.9Å; F124-F152 HydrophobicContact CG-CZ 4.11Å; F124-V161 HydrophobicContact CD1-CG1 4.26Å; F124-V161 HydrophobicContact CD1-CG2 4.47Å; F124-V161 HydrophobicContact CE1-CG1 3.89Å; F124-H166 AromaticContact CE1-CE1 3.95Å; F124-H166 AromaticContact CE1-ND1 3.94Å; F124-I168 HydrophobicContact CE2-CD1 3.99Å; F124-I168 HydrophobicContact CZ-CD1 3.98Å; F124-C175 VanDerWaalsContact CZ-SG 3.51Å
125S88.9Confident86.9Confident59 Ų5960.4 Ų60.441%0.41331%0.31SS..THydrogen-bonded Turntrans-58.2-19170.6-72.80000113.5K121 F127 G128K121-S125 VanDerWaalsContact O-CB 3.31Å; K121-S125 WeakPolarHBondContact O-CB 3.45Å; K121-S125 PolarHBondContact O-N 2.85Å; K121-S125 PolarHBondContact O-OG 3.24Å; S125-F127 PolarHBondContact O-N 3.25Å; S125-G128 WeakPolarHBondContact CA-O 3.29Å
126T89.8Confident86.7Confident104 Ų10464 Ų6464%0.63833%0.325SS*.THydrogen-bonded Turntrans-69.7-15.3174.366.20000113.9Y123 F124Y123-T126 WeakPolarHBondContact O-CB 3.41Å; Y123-T126 PolarHBondContact O-N 3.5Å; Y123-T126 PolarHBondContact O-OG1 3.06Å; F124-T126 PolarHBondContact O-N 2.87Å; F124-T126 VanDerWaalsContact O-N 3.1Å
127F85.4Confident86.6Confident64 Ų6466 Ų6628%0.28133%0.329SS..THydrogen-bonded Turntrans-102.3-21178.8-59.2-79.6000113.6Y123 F124 S125 T157 V161 Q164 H166Y123-F127 AromaticContact CE1-CE2 3.91Å; Y123-F127 HydrophobicContact CE1-CE2 3.91Å; F124-F127 HydrophobicContact CD1-CD2 4.19Å; F124-F127 HydrophobicContact CD1-CE2 4.46Å; F124-F127 PolarHBondContact O-N 3.03Å; S125-F127 PolarHBondContact O-N 3.25Å; F127-T157 HydrophobicContact CB-CG2 4.02Å; F127-T157 VanDerWaalsContact O-CG2 3.32Å; F127-T157 WeakPolarHBondContact O-CG2 3.48Å; F127-V161 HydrophobicContact CB-CG2 3.89Å; F127-V161 HydrophobicContact CD1-CG2 4.49Å; F127-V161 HydrophobicContact CD2-CG2 4.16Å; F127-V161 HydrophobicContact CG-CG2 3.92Å; F127-Q164 VanDerWaalsContact CE1-NE2 3.3Å; F127-H166 AromaticContact CE2-CE1 3.52Å; F127-H166 AromaticContact CE2-ND1 3.62Å; F127-H166 AromaticContact CZ-CE1 3.48Å; F127-H166 VanDerWaalsContact CZ-CE1 3.48Å; F127-H166 WeakPolarHBondContact CZ-CE1 3.35Å; F127-H166 AromaticContact CZ-ND1 3.63Å
128G85.4Confident86.2Confident23 Ų2364.7 Ų64.724%0.23732%0.324CS..SBendtrans156.2178.5-178.300000111.7S125 V130S125-G128 WeakPolarHBondContact CA-O 3.29Å; G128-V130 PolarHBondContact O-N 3.37Å
129E84.3Confident85.7Confident130 Ų13066.8 Ų66.861%0.60734%0.338SS*.  trans-70.1131.2-171.8-174.9-178.5170.800113.1F152 T153E129-F152 VanDerWaalsContact O-CA 3.31Å; E129-F152 WeakPolarHBondContact O-CA 3.31Å; E129-F152 WeakPolarHBondContact O-CD1 3.2Å; E129-T153 HydrophobicContact CB-CG2 3.73Å; E129-T153 HydrophobicContact CG-CG2 3.82Å; E129-T153 PolarHBondContact O-N 2.95Å; E129-T153 PolarHBondContact O-OG1 3.15Å
130V85.8Confident85.2Confident5 Ų573.5 Ų73.53%0.0336%0.364CS..EExtended strand (participates in β ladder)trans-103.4101.7-177.3-177.10000110.5K121 F124 G128 V133 V150 R151 F152K121-V130 HydrophobicContact CG-CB 4.32Å; K121-V130 HydrophobicContact CG-CG1 4.35Å; F124-V130 HydrophobicContact CB-CG2 3.8Å; G128-V130 PolarHBondContact O-N 3.37Å; V130-V133 HydrophobicContact CG1-CG2 3.49Å; V130-V133 VanDerWaalsContact CG1-CG2 3.49Å; V130-V150 HydrophobicContact CG1-CG2 3.69Å; V130-V150 HydrophobicContact CG2-CG2 4.46Å; V130-R151 CarbonylContact C-O 3.44Å; V130-F152 HydrophobicContact CG2-CD1 4.02Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.45Å
131L77.9Confident84.9Confident93 Ų9377.5 Ų77.549%0.48739%0.389SS..EExtended strand (participates in β ladder)trans-60.1-43.2175.9-71.1177.4000112.6R151 F152 T153L131-R151 PolarHBondContact N-O 3.39Å; L131-F152 WeakPolarHBondContact CD1-O 3.43Å; L131-T153 HydrophobicContact CD2-CG2 3.81Å; L131-T153 HydrophobicContact CG-CG2 3.93Å
132M75.6Confident84.4Confident74 Ų7474.8 Ų74.837%0.36539%0.391SS..EExtended strand (participates in β ladder)trans-153.1151.5177.788.6-169.2-170.200113.1D105 V150 R151D105-M132 HydrophobicContact CB-CE 4.24Å; D105-M132 VanDerWaalsContact OD1-CE 3.28Å; D105-M132 WeakPolarHBondContact OD1-CE 3.46Å; D105-M132 VanDerWaalsContact OD2-CE 3.31Å; D105-M132 WeakPolarHBondContact OD2-CE 3.4Å; M132-V150 WeakPolarHBondContact O-CA 3.15Å; M132-R151 HydrophobicContact CE-CB 4.37Å; M132-R151 HydrophobicContact CG-CB 3.84Å; M132-R151 PolarHBondContact N-O 3.37Å; M132-R151 PolarHBondContact O-N 3.09Å; M132-R151 HydrophobicContact SD-CB 4.48Å
133V86.6Confident83.9Confident28 Ų2876 Ų7617%0.1740%0.396CS..EExtended strand (participates in β ladder)trans-130.6142169.1-177.60000108.5E117 L120 K121 V130 F149 V150E117-V133 HydrophobicContact CB-CG1 4.19Å; E117-V133 HydrophobicContact CG-CG1 4.34Å; E117-V133 WeakPolarHBondContact O-CG1 3.37Å; L120-V133 HydrophobicContact CB-CG1 3.57Å; L120-V133 HydrophobicContact CD2-CG1 3.98Å; L120-V133 HydrophobicContact CG-CG1 4.4Å; K121-V133 HydrophobicContact CB-CG2 3.82Å; K121-V133 HydrophobicContact CG-CG2 4.16Å; V130-V133 HydrophobicContact CG1-CG2 3.49Å; V130-V133 VanDerWaalsContact CG1-CG2 3.49Å; V133-F149 CarbonylContact C-O 3.57Å; V133-F149 WeakPolarHBondContact CA-O 3.32Å; V133-V150 HydrophobicContact CG2-CG2 4.27Å
134Q83.8Confident83.7Confident87 Ų8773.7 Ų73.741%0.40739%0.389SS..EExtended strand (participates in β ladder)trans-149.2114.2172.8-172174.493.700112.4E117 K136 G148 F149E117-Q134 VanDerWaalsContact OE1-CA 3.31Å; E117-Q134 WeakPolarHBondContact OE1-CA 3.27Å; Q134-K136 VanDerWaalsContact OE1-CE 3.31Å; Q134-G148 CarbonylContact O-C 3.55Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å; Q134-F149 PolarHBondContact N-O 2.94Å; Q134-F149 PolarHBondContact O-N 3.33Å
135V88.1Confident83.3Confident5 Ų578.7 Ų78.73%0.0341%0.411CS..EExtended strand (participates in β ladder)trans-88.8119.8177.5173.90000108.5L111 E117 L120 K137L111-V135 HydrophobicContact CD1-CG2 4.37Å; E117-V135 HydrophobicContact CG-CB 3.75Å; E117-V135 HydrophobicContact CG-CG2 3.64Å; E117-V135 VanDerWaalsContact CG-N 3.28Å; E117-V135 PolarHBondContact OE1-N 2.85Å; L120-V135 HydrophobicContact CD1-CG2 4.07Å; L120-V135 HydrophobicContact CD2-CG2 4.33Å; V135-K137 HydrophobicContact CG1-CG 4.47Å; V135-K137 PolarHBondContact O-N 3.45Å
136K84.6Confident83.1Confident79 Ų7976.4 Ų76.434%0.34340%0.396SS..EExtended strand (participates in β ladder)trans-75.896.7-179.2-70-55.7-166-1790110.2Q134 K145 F147 F149Q134-K136 VanDerWaalsContact OE1-CE 3.31Å; K136-K145 VanDerWaalsContact O-CB 3.24Å; K136-K145 WeakPolarHBondContact O-CB 3.31Å; K136-K145 VanDerWaalsContact O-CG 3.3Å; K136-K145 WeakPolarHBondContact O-CG 3.14Å; K136-K145 PolarHBondContact O-N 2.74Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.33Å; K136-F147 HydrophobicContact CB-CE2 3.66Å; K136-F147 HydrophobicContact CB-CZ 3.74Å; K136-F147 HydrophobicContact CG-CD2 4.24Å; K136-F147 HydrophobicContact CG-CE2 3.57Å; K136-F147 HydrophobicContact CG-CZ 4.03Å; K136-F147 PolarHBondContact N-O 2.98Å; K136-F149 HydrophobicContact CD-CD2 4.46Å; K136-F149 HydrophobicContact CD-CE2 4.28Å; K136-F149 HydrophobicContact CG-CD2 3.99Å; K136-F149 HydrophobicContact CG-CE2 3.67Å
137K86Confident83Confident98 Ų9874.2 Ų74.243%0.42638%0.378SS..EExtended strand (participates in β ladder)trans-80.2161167.1-63169.7-169.8167.50110.5V135 H143V135-K137 HydrophobicContact CG1-CG 4.47Å; V135-K137 PolarHBondContact O-N 3.45Å; K137-H143 CarbonylContact C-O 3.55Å; K137-H143 WeakPolarHBondContact CA-O 3.45Å
138D81.1Confident83.1Confident42 Ų4271.1 Ų71.123%0.22537%0.365CS..  trans-84.9131.3174.7-172.459.8000112.3K140 T141 G142 H143 K145D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.34Å; D138-K140 PolarHBondContact OD2-N 3.02Å; D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 PolarHBondContact O-N 2.89Å; D138-T141 PolarHBondContact OD2-N 2.99Å; D138-T141 PolarHBondContact OD2-OG1 3.13Å; D138-G142 WeakPolarHBondContact O-CA 3.3Å; D138-G142 PolarHBondContact O-N 2.91Å; D138-H143 PolarHBondContact N-O 3.42Å; D138-K145 HydrophobicContact CB-CG 4.49Å; D138-K145 WeakPolarHBondContact OD1-CE 3.23Å; D138-K145 IonicContact OD1-NZ 2.74Å; D138-K145 PolarHBondContact OD1-NZ 2.84Å
139I76.1Confident83.2Confident171 Ų17171.9 Ų71.988%0.87736%0.361SS*.THydrogen-bonded Turntrans-69.2-29-172.5-56.3174.3000111.5
140K81.4Confident83.3Confident199 Ų19965.7 Ų65.787%0.86533%0.332SS*.THydrogen-bonded Turntrans-86.7-23.7-178.4-66.4-174.5174.9-173.70113.6D138D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.34Å; D138-K140 PolarHBondContact OD2-N 3.02Å
141T82.5Confident83.1Confident85 Ų8569.5 Ų69.552%0.52135%0.346SS..THydrogen-bonded Turntrans-131.7-6.4-166.860.50000114.5D138 H143D138-T141 WeakPolarHBondContact CB-OG1 3.45Å; D138-T141 PolarHBondContact O-N 2.89Å; D138-T141 PolarHBondContact OD2-N 2.99Å; D138-T141 PolarHBondContact OD2-OG1 3.13Å; T141-H143 PolarHBondContact O-CD2 3.49Å; T141-H143 PolarHBondContact O-N 2.97Å
142G78.4Confident83.5Confident50 Ų5065 Ų6552%0.51532%0.323SS..  trans72.4-19.3178.900000115.8D138D138-G142 WeakPolarHBondContact O-CA 3.3Å; D138-G142 PolarHBondContact O-N 2.91Å
143H80.1Confident83.6Confident140 Ų14063.6 Ų63.665%0.64832%0.318SS*.  trans-66141.8-177.1-69.9-84.3000113K137 D138 T141K137-H143 CarbonylContact C-O 3.55Å; K137-H143 WeakPolarHBondContact CA-O 3.45Å; D138-H143 PolarHBondContact N-O 3.42Å; T141-H143 PolarHBondContact O-CD2 3.49Å; T141-H143 PolarHBondContact O-N 2.97Å
144S85.3Confident83.2Confident12 Ų1266 Ų668%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-62.5135172.9173.90000111.5W113 G146W113-S144 WeakPolarHBondContact O-CB 3.33Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 3.3Å
145K82.6Confident82.9Confident104 Ų10466 Ų6645%0.45233%0.327SS..EExtended strand (participates in β ladder)trans-79.56.7175.9-60.3-170.8-177-159.40113.6K136 D138 F147K136-K145 VanDerWaalsContact O-CB 3.24Å; K136-K145 WeakPolarHBondContact O-CB 3.31Å; K136-K145 VanDerWaalsContact O-CG 3.3Å; K136-K145 WeakPolarHBondContact O-CG 3.14Å; K136-K145 PolarHBondContact O-N 2.74Å; D138-K145 HydrophobicContact CB-CG 4.49Å; D138-K145 WeakPolarHBondContact OD1-CE 3.23Å; D138-K145 IonicContact OD1-NZ 2.74Å; D138-K145 PolarHBondContact OD1-NZ 2.84Å; K145-F147 VanDerWaalsContact C-N 3.26Å; K145-F147 HydrophobicContact CB-CD1 3.72Å; K145-F147 HydrophobicContact CB-CE1 3.52Å; K145-F147 HydrophobicContact CD-CE1 4.18Å; K145-F147 HydrophobicContact CG-CE1 4.43Å; K145-F147 PolarHBondContact O-N 2.95Å
146G83.8Confident82.5Confident11 Ų1171.2 Ų71.211%0.11335%0.351CS..EExtended strand (participates in β ladder)trans7121.5-177.800000113.7G110 L111 S144G110-G146 CarbonylContact C-O 3.56Å; G110-G146 PolarHBondContact N-O 2.85Å; L111-G146 PolarHBondContact N-O 3.3Å; L111-G146 WeakPolarHBondContact O-CA 3.24Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 3.3Å
147F88.1Confident82.4Confident58 Ų5868 Ų6825%0.25434%0.338SS..EExtended strand (participates in β ladder)trans-148154.417074.2-88.3000111.8I107 V108 L109 K136 K145 F149I107-F147 HydrophobicContact CD1-CD2 3.66Å; I107-F147 HydrophobicContact CD1-CE2 4.14Å; I107-F147 HydrophobicContact CD1-CG 4.33Å; I107-F147 HydrophobicContact CG1-CB 4.46Å; I107-F147 HydrophobicContact CG1-CD2 4.03Å; V108-F147 WeakPolarHBondContact O-CA 3.25Å; V108-F147 WeakPolarHBondContact O-CB 3.11Å; L109-F147 HydrophobicContact CD2-CB 4.07Å; K136-F147 HydrophobicContact CB-CD2 4.18Å; K136-F147 HydrophobicContact CB-CE1 4.33Å; K136-F147 HydrophobicContact CB-CE2 3.66Å; K136-F147 HydrophobicContact CB-CZ 3.74Å; K136-F147 HydrophobicContact CG-CD2 4.24Å; K136-F147 HydrophobicContact CG-CE2 3.57Å; K136-F147 HydrophobicContact CG-CZ 4.03Å; K136-F147 PolarHBondContact N-O 2.98Å; K145-F147 VanDerWaalsContact C-N 3.26Å; K145-F147 HydrophobicContact CB-CD1 3.72Å; K145-F147 HydrophobicContact CB-CE1 3.52Å; K145-F147 HydrophobicContact CD-CE1 4.18Å; K145-F147 HydrophobicContact CG-CE1 4.43Å; K145-F147 PolarHBondContact O-N 2.95Å; F147-F149 HydrophobicContact CD2-CE2 4.27Å; F147-F149 AromaticContact CE2-CE2 3.91Å; F147-F149 HydrophobicContact CE2-CE2 3.91Å; F147-F149 HydrophobicContact CE2-CZ 4.27Å
148G87.8Confident82.2Confident0 Ų063.5 Ų63.50%032%0.318CS..EExtended strand (participates in β ladder)trans-144.9177177.200000111.4I107 V108 Q134I107-G148 CarbonylContact C-O 3.55Å; I107-G148 WeakPolarHBondContact CA-O 3.45Å; V108-G148 PolarHBondContact N-O 3.41Å; V108-G148 PolarHBondContact O-N 3.37Å; V108-G148 VanDerWaalsContact O-N 3.1Å; Q134-G148 CarbonylContact O-C 3.55Å; Q134-G148 WeakPolarHBondContact O-CA 3.36Å
149F88.1Confident82.1Confident38 Ų3864.2 Ų64.217%0.16733%0.325CS..EExtended strand (participates in β ladder)trans-117.4142.7174.5-65.4-86.6000110D105 L106 I107 V133 Q134 K136 F147 P178D105-F149 HydrophobicContact CB-CD1 4.26Å; L106-F149 CarbonylContact O-C 3.58Å; L106-F149 WeakPolarHBondContact O-CA 3.41Å; I107-F149 HydrophobicContact CB-CD1 4.21Å; I107-F149 HydrophobicContact CB-CE1 3.94Å; I107-F149 HydrophobicContact CD1-CE1 4.23Å; I107-F149 HydrophobicContact CD1-CZ 4.11Å; I107-F149 HydrophobicContact CG1-CE1 4.16Å; I107-F149 HydrophobicContact CG1-CZ 4.37Å; V133-F149 CarbonylContact C-O 3.57Å; V133-F149 WeakPolarHBondContact CA-O 3.32Å; Q134-F149 PolarHBondContact N-O 2.94Å; Q134-F149 PolarHBondContact O-N 3.33Å; K136-F149 HydrophobicContact CD-CD2 4.46Å; K136-F149 HydrophobicContact CD-CE2 4.28Å; K136-F149 HydrophobicContact CG-CD2 3.99Å; K136-F149 HydrophobicContact CG-CE2 3.67Å; F147-F149 HydrophobicContact CD2-CE2 4.27Å; F147-F149 AromaticContact CE2-CE2 3.91Å; F147-F149 HydrophobicContact CE2-CE2 3.91Å; F147-F149 HydrophobicContact CE2-CZ 4.27Å; F149-P178 HydrophobicContact CE1-CB 4.02Å; F149-P178 HydrophobicContact CE1-CG 4.11Å
150V86.9Confident82.5Confident0 Ų061.2 Ų61.20%031%0.305CS..EExtended strand (participates in β ladder)trans-135.4135.5173.762.20000109.3L106 V108 F124 V130 M132 V133 F152L106-V150 HydrophobicContact CB-CG1 3.93Å; L106-V150 PolarHBondContact N-O 3.34Å; L106-V150 PolarHBondContact O-N 3.47Å; V108-V150 HydrophobicContact CG2-CB 4.35Å; V108-V150 HydrophobicContact CG2-CG1 3.63Å; F124-V150 HydrophobicContact CB-CG2 4.14Å; F124-V150 HydrophobicContact CD2-CB 4.33Å; F124-V150 HydrophobicContact CD2-CG1 4.34Å; F124-V150 HydrophobicContact CD2-CG2 4.06Å; F124-V150 HydrophobicContact CE2-CG1 4.36Å; F124-V150 HydrophobicContact CG-CG2 4.13Å; V130-V150 HydrophobicContact CG1-CG2 3.69Å; V130-V150 HydrophobicContact CG2-CG2 4.46Å; M132-V150 WeakPolarHBondContact O-CA 3.15Å; V133-V150 HydrophobicContact CG2-CG2 4.27Å; V150-F152 HydrophobicContact CG1-CE2 4.04Å; V150-F152 HydrophobicContact CG2-CE2 3.98Å; V150-F152 HydrophobicContact CG2-CZ 3.97Å
151R81.7Confident82.8Confident85 Ų8551.8 Ų51.832%0.32126%0.264SS..EExtended strand (participates in β ladder)trans-124.9130.5176.1-167-170.4176.9172.7-3110.1T103 D105 V130 L131 M132T103-R151 PolarHBondContact O-NE 2.86Å; T103-R151 PolarHBondContact O-NH2 3.27Å; T103-R151 PolarHBondContact OG1-NE 2.92Å; D105-R151 WeakPolarHBondContact OD1-CD 3.31Å; V130-R151 CarbonylContact C-O 3.44Å; L131-R151 PolarHBondContact N-O 3.39Å; M132-R151 HydrophobicContact CE-CB 4.37Å; M132-R151 HydrophobicContact CG-CB 3.84Å; M132-R151 PolarHBondContact N-O 3.37Å; M132-R151 PolarHBondContact O-N 3.09Å; M132-R151 HydrophobicContact SD-CB 4.48Å
152F85.6Confident82.8Confident0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-96.4158.7176.5-64.4-84.1000111.7T103 L106 F124 E129 V130 L131 V150 D154 T157 Q158 V161T103-F152 VanDerWaalsContact CB-O 3.27Å; T103-F152 WeakPolarHBondContact CB-O 3.28Å; T103-F152 WeakPolarHBondContact CG2-O 3.37Å; T103-F152 PolarHBondContact OG1-O 3.49Å; L106-F152 HydrophobicContact CD1-CD2 4.5Å; L106-F152 HydrophobicContact CD1-CE2 4.19Å; F124-F152 HydrophobicContact CB-CE1 4.12Å; F124-F152 HydrophobicContact CB-CZ 3.88Å; F124-F152 AromaticContact CD1-CZ 3.9Å; F124-F152 HydrophobicContact CD1-CZ 3.9Å; F124-F152 HydrophobicContact CG-CZ 4.11Å; E129-F152 VanDerWaalsContact O-CA 3.31Å; E129-F152 WeakPolarHBondContact O-CA 3.31Å; E129-F152 WeakPolarHBondContact O-CD1 3.2Å; V130-F152 HydrophobicContact CG2-CD1 4.02Å; V130-F152 HydrophobicContact CG2-CE1 3.67Å; V130-F152 HydrophobicContact CG2-CZ 4.45Å; L131-F152 WeakPolarHBondContact CD1-O 3.43Å; V150-F152 HydrophobicContact CG1-CE2 4.04Å; V150-F152 HydrophobicContact CG2-CE2 3.98Å; V150-F152 HydrophobicContact CG2-CZ 3.97Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-T157 HydrophobicContact CB-CG2 4.38Å; F152-T157 HydrophobicContact CD1-CG2 3.37Å; F152-T157 HydrophobicContact CD2-CG2 4.46Å; F152-T157 HydrophobicContact CE1-CG2 3.65Å; F152-T157 HydrophobicContact CG-CG2 3.82Å; F152-T157 HydrophobicContact CZ-CG2 4.33Å; F152-Q158 HydrophobicContact CD2-CB 4.47Å; F152-V161 HydrophobicContact CE1-CG2 4.49Å; F152-V161 HydrophobicContact CE2-CB 4.2Å; F152-V161 HydrophobicContact CE2-CG1 4.03Å; F152-V161 HydrophobicContact CE2-CG2 4.05Å; F152-V161 HydrophobicContact CZ-CB 4.4Å; F152-V161 HydrophobicContact CZ-CG1 4.29Å; F152-V161 HydrophobicContact CZ-CG2 3.76Å
153T78.1Confident83.1Confident43 Ų4353.4 Ų53.426%0.26426%0.264SS..SBendtrans-55.6-48.2160.440.50000110.9T103 E129 L131T103-T153 WeakPolarHBondContact CG2-O 3.17Å; E129-T153 HydrophobicContact CB-CG2 3.73Å; E129-T153 HydrophobicContact CG-CG2 3.82Å; E129-T153 PolarHBondContact O-N 2.95Å; E129-T153 PolarHBondContact O-OG1 3.15Å; L131-T153 HydrophobicContact CD2-CG2 3.81Å; L131-T153 HydrophobicContact CG-CG2 3.93Å
154D77.3Confident83.1Confident78 Ų7850.4 Ų50.442%0.41725%0.25SS..  trans-109.9135-162.1-48.5-57.8000113.2F152 E156 T157 Q158F152-D154 VanDerWaalsContact C-N 3.3Å; D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 3.02Å; D154-T157 PolarHBondContact O-N 3.18Å; D154-Q158 PolarHBondContact O-N 3.08Å; D154-Q158 VanDerWaalsContact O-N 3.09Å
155Y77.1Confident83.1Confident88 Ų8856.3 Ų56.335%0.34527%0.271SS..Hα-helixtrans-65.7-33.6175.7-174.8-98.9000112.2Q101 Q158 V159Q101-Y155 HydrophobicContact CB-CD2 4.46Å; Q101-Y155 HydrophobicContact CB-CG 4.32Å; Y155-Q158 WeakPolarHBondContact O-CB 2.87Å; Y155-Q158 PolarHBondContact O-N 3.24Å; Y155-V159 HydrophobicContact CD1-CG2 4.08Å; Y155-V159 HydrophobicContact CE1-CG2 3.65Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.9Å
156E79.3Confident83.4Confident114 Ų11451.3 Ų51.353%0.53325%0.249SC..Hα-helixtrans-63.8-45.1175.5-67.2-151.4167.600112.4D154 Q158 V159 K160D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 3.02Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.07Å; E156-V159 PolarHBondContact O-N 3.04Å; E156-V159 VanDerWaalsContact O-N 3.17Å; E156-K160 WeakPolarHBondContact O-CB 3.43Å; E156-K160 WeakPolarHBondContact O-CD 3.31Å; E156-K160 VanDerWaalsContact O-CG 3.24Å; E156-K160 WeakPolarHBondContact O-CG 3.23Å; E156-K160 PolarHBondContact O-N 3.34Å; E156-K160 IonicContact OE2-NZ 3.16Å; E156-K160 PolarHBondContact OE2-NZ 2.87Å
157T82.9Confident83.6Confident11 Ų1154.5 Ų54.57%0.06726%0.262CS..Hα-helixtrans-60.9-43176.9-57.40000110.4F127 F152 D154 V159 K160 V161F127-T157 HydrophobicContact CB-CG2 4.02Å; F127-T157 VanDerWaalsContact O-CG2 3.32Å; F127-T157 WeakPolarHBondContact O-CG2 3.48Å; F152-T157 HydrophobicContact CB-CG2 4.38Å; F152-T157 HydrophobicContact CD1-CG2 3.37Å; F152-T157 HydrophobicContact CD2-CG2 4.46Å; F152-T157 HydrophobicContact CE1-CG2 3.65Å; F152-T157 HydrophobicContact CG-CG2 3.82Å; F152-T157 HydrophobicContact CZ-CG2 4.33Å; D154-T157 PolarHBondContact O-N 3.18Å; T157-V159 VanDerWaalsContact C-N 3.35Å; T157-V159 PolarHBondContact O-N 2.85Å; T157-K160 PolarHBondContact O-N 3.06Å; T157-V161 WeakPolarHBondContact O-CB 3.43Å; T157-V161 WeakPolarHBondContact O-CG2 3.4Å; T157-V161 PolarHBondContact O-N 2.83Å
158Q81.7Confident83.6Confident4 Ų452 Ų522%0.01925%0.251CS..Hα-helixtrans-55.3-46.8172.6-168.1-159.4-64.800112S104 L106 F152 D154 Y155 E156 V161 M162S104-Q158 PolarHBondContact O-OE1 3.44Å; L106-Q158 HydrophobicContact CD1-CG 3.74Å; L106-Q158 HydrophobicContact CD2-CG 3.69Å; L106-Q158 HydrophobicContact CG-CG 3.71Å; F152-Q158 HydrophobicContact CD2-CB 4.47Å; D154-Q158 PolarHBondContact O-N 3.08Å; D154-Q158 VanDerWaalsContact O-N 3.09Å; Y155-Q158 WeakPolarHBondContact O-CB 2.87Å; Y155-Q158 PolarHBondContact O-N 3.24Å; E156-Q158 VanDerWaalsContact C-N 3.3Å; E156-Q158 PolarHBondContact O-N 3.07Å; Q158-V161 PolarHBondContact O-N 2.81Å; Q158-M162 HydrophobicContact CG-SD 4.49Å; Q158-M162 VanDerWaalsContact O-CG 3.3Å; Q158-M162 WeakPolarHBondContact O-CG 3.2Å; Q158-M162 PolarHBondContact O-N 2.83Å
159V79Confident83.5Confident58 Ų5855.4 Ų55.435%0.35227%0.27SS..Hα-helixtrans-67.3-45.1178.4173.40000111.6Y155 E156 T157 V161 M162 S163Y155-V159 HydrophobicContact CD1-CG2 4.08Å; Y155-V159 HydrophobicContact CE1-CG2 3.65Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.9Å; E156-V159 PolarHBondContact O-N 3.04Å; E156-V159 VanDerWaalsContact O-N 3.17Å; T157-V159 VanDerWaalsContact C-N 3.35Å; T157-V159 PolarHBondContact O-N 2.85Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.99Å; V159-M162 PolarHBondContact O-N 3.27Å; V159-M162 VanDerWaalsContact O-N 3.13Å; V159-S163 PolarHBondContact O-N 3.15Å; V159-S163 PolarHBondContact O-OG 3.27Å
160K84.9Confident83.3Confident108 Ų10856.9 Ų56.947%0.4730%0.295SS..Hα-helixtrans-57.2-41.4176.5-69.1160.2-168.6165.40111.3E156 T157 S163 Q164E156-K160 WeakPolarHBondContact O-CB 3.43Å; E156-K160 WeakPolarHBondContact O-CD 3.31Å; E156-K160 VanDerWaalsContact O-CG 3.24Å; E156-K160 WeakPolarHBondContact O-CG 3.23Å; E156-K160 PolarHBondContact O-N 3.34Å; E156-K160 IonicContact OE2-NZ 3.16Å; E156-K160 PolarHBondContact OE2-NZ 2.87Å; T157-K160 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-N 2.81Å; K160-Q164 PolarHBondContact O-NE2 2.92Å
161V87.3Confident83.3Confident0 Ų062.5 Ų62.50%032%0.316CS..Hα-helixtrans-70.1-38175.6165.20000112.4L106 F124 F127 F152 T157 Q158 V159 S163 H166 C175L106-V161 HydrophobicContact CD1-CB 4.27Å; L106-V161 HydrophobicContact CD1-CG1 3.73Å; F124-V161 HydrophobicContact CD1-CG1 4.26Å; F124-V161 HydrophobicContact CD1-CG2 4.47Å; F124-V161 HydrophobicContact CE1-CG1 3.89Å; F127-V161 HydrophobicContact CB-CG2 3.89Å; F127-V161 HydrophobicContact CD1-CG2 4.49Å; F127-V161 HydrophobicContact CD2-CG2 4.16Å; F127-V161 HydrophobicContact CG-CG2 3.92Å; F152-V161 HydrophobicContact CE1-CG2 4.49Å; F152-V161 HydrophobicContact CE2-CB 4.2Å; F152-V161 HydrophobicContact CE2-CG1 4.03Å; F152-V161 HydrophobicContact CE2-CG2 4.05Å; F152-V161 HydrophobicContact CZ-CB 4.4Å; F152-V161 HydrophobicContact CZ-CG1 4.29Å; F152-V161 HydrophobicContact CZ-CG2 3.76Å; T157-V161 WeakPolarHBondContact O-CB 3.43Å; T157-V161 WeakPolarHBondContact O-CG2 3.4Å; T157-V161 PolarHBondContact O-N 2.83Å; Q158-V161 PolarHBondContact O-N 2.81Å; V159-V161 VanDerWaalsContact C-N 3.29Å; V159-V161 PolarHBondContact O-N 2.99Å; V161-S163 VanDerWaalsContact C-N 3.3Å; V161-S163 PolarHBondContact O-N 2.76Å; V161-H166 PolarHBondContact O-NE2 3.04Å; V161-H166 VanDerWaalsContact O-NE2 3.1Å; V161-C175 HydrophobicContact CG1-CB 3.69Å
162M83.5Confident83.7Confident69 Ų6965.1 Ų65.134%0.3433%0.326SS..Hα-helixtrans-67.5-26.6173.8-74.417664.100114.1L106 Q158 V159 L177L106-M162 HydrophobicContact CD1-CG 3.84Å; L106-M162 HydrophobicContact CD2-CG 3.58Å; L106-M162 HydrophobicContact CD2-SD 3.56Å; L106-M162 VanDerWaalsContact CD2-SD 3.56Å; L106-M162 HydrophobicContact CG-CG 4.38Å; Q158-M162 HydrophobicContact CG-SD 4.49Å; Q158-M162 VanDerWaalsContact O-CG 3.3Å; Q158-M162 WeakPolarHBondContact O-CG 3.2Å; Q158-M162 PolarHBondContact O-N 2.83Å; V159-M162 PolarHBondContact O-N 3.27Å; V159-M162 VanDerWaalsContact O-N 3.13Å; M162-L177 HydrophobicContact CE-CB 4.37Å; M162-L177 HydrophobicContact CE-CD1 3.84Å; M162-L177 HydrophobicContact CE-CG 3.76Å; M162-L177 HydrophobicContact SD-CD1 4.19Å; M162-L177 HydrophobicContact SD-CG 3.84Å
163S83.3Confident83.9Confident101 Ų10165.1 Ų65.171%0.70633%0.326SS*.THydrogen-bonded Turntrans-82.7-10.1-175.6-620000114.8V159 K160 V161V159-S163 PolarHBondContact O-N 3.15Å; V159-S163 PolarHBondContact O-OG 3.27Å; K160-S163 PolarHBondContact O-N 2.81Å; V161-S163 VanDerWaalsContact C-N 3.3Å; V161-S163 PolarHBondContact O-N 2.76Å
164Q81.9Confident84.2Confident76 Ų7665 Ų6536%0.35532%0.324SS..SBendtrans-123.6165-174.570-170.7-56.500112.3F127 K160 H166F127-Q164 VanDerWaalsContact CE1-NE2 3.3Å; K160-Q164 PolarHBondContact O-NE2 2.92Å; Q164-H166 VanDerWaalsContact CG-CE1 3.5Å; Q164-H166 WeakPolarHBondContact CG-CE1 3.36Å; Q164-H166 VanDerWaalsContact CG-NE2 3.29Å; Q164-H166 WeakPolarHBondContact CG-NE2 3.28Å
165R84.4Confident84.6Confident136 Ų13661.5 Ų61.551%0.51331%0.306SS..EExtended strand (participates in β ladder)trans-100.3135.8171.2-59-16474.9-135.70109.4W172 D174R165-W172 HydrophobicContact CB-CE3 3.98Å; R165-W172 HydrophobicContact CB-CZ3 4.13Å; R165-D174 IonicContact CZ-OD1 3.19Å; R165-D174 VanDerWaalsContact CZ-OD1 3.23Å; R165-D174 IonicContact NE-OD1 2.7Å; R165-D174 PolarHBondContact NE-OD1 2.8Å; R165-D174 IonicContact NH2-OD1 3.38Å; R165-D174 PolarHBondContact NH2-OD1 3.36Å
166H88Confident84.9Confident0 Ų061.7 Ų61.70%031%0.308CS..EExtended strand (participates in β ladder)trans-103.4143.1-173.4-70-80.9000111Y123 F124 F127 V161 Q164 I168 W172 C173 C175Y123-H166 HydrophobicContact CE1-CB 3.72Å; Y123-H166 AromaticContact CE1-CG 3.78Å; Y123-H166 AromaticContact CE1-ND1 3.32Å; Y123-H166 VanDerWaalsContact CE1-ND1 3.32Å; Y123-H166 WeakPolarHBondContact CE1-ND1 3.42Å; Y123-H166 AromaticContact CZ-ND1 3.56Å; Y123-H166 WeakPolarHBondContact OH-CA 3.25Å; Y123-H166 WeakPolarHBondContact OH-CB 3.43Å; Y123-H166 PolarHBondContact OH-ND1 2.87Å; F124-H166 AromaticContact CE1-CE1 3.95Å; F124-H166 AromaticContact CE1-ND1 3.94Å; F127-H166 AromaticContact CE2-CE1 3.52Å; F127-H166 AromaticContact CE2-ND1 3.62Å; F127-H166 AromaticContact CZ-CE1 3.48Å; F127-H166 VanDerWaalsContact CZ-CE1 3.48Å; F127-H166 WeakPolarHBondContact CZ-CE1 3.35Å; F127-H166 AromaticContact CZ-ND1 3.63Å; V161-H166 PolarHBondContact O-NE2 3.04Å; V161-H166 VanDerWaalsContact O-NE2 3.1Å; Q164-H166 VanDerWaalsContact CG-CE1 3.5Å; Q164-H166 WeakPolarHBondContact CG-CE1 3.36Å; Q164-H166 VanDerWaalsContact CG-NE2 3.29Å; Q164-H166 WeakPolarHBondContact CG-NE2 3.28Å; H166-I168 HydrophobicContact CB-CD1 4.46Å; H166-I168 HydrophobicContact CB-CG1 4.47Å; H166-W172 CarbonylContact O-C 3.44Å; H166-W172 WeakPolarHBondContact O-CA 3.18Å; H166-C173 PolarHBondContact N-O 3.1Å; H166-C173 PolarHBondContact O-N 2.93Å; H166-C175 PolarHBondContact CD2-SG 2.66Å
167M89.1Confident84.9Confident77 Ų7760 Ų6038%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-109.6108.2176.4-177.46888.300108.6Y123 R171 W172Y123-M167 WeakPolarHBondContact CE2-O 3.32Å; Y123-M167 PolarHBondContact OH-N 3.33Å; M167-R171 VanDerWaalsContact SD-C 3.55Å; M167-R171 PolarHBondContact SD-N 3.45Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; M167-W172 HydrophobicContact CB-CE3 4.35Å; M167-W172 HydrophobicContact CB-CZ3 4.25Å; M167-W172 HydrophobicContact CE-CD2 3.74Å; M167-W172 HydrophobicContact CE-CE3 4.26Å; M167-W172 HydrophobicContact CE-CG 4.2Å; M167-W172 HydrophobicContact CE-CH2 4.13Å; M167-W172 HydrophobicContact CE-CZ2 3.59Å; M167-W172 HydrophobicContact CE-CZ3 4.43Å; M167-W172 HydrophobicContact SD-CD2 4.28Å; M167-W172 HydrophobicContact SD-CG 4.47Å
168I88.5Confident84.3Confident5 Ų561 Ų613%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-122.2122.4-176-57.9174.5000107.8V108 L111 T115 Y123 F124 H166 G170 R171 C173V108-I168 HydrophobicContact CG1-CD1 4.31Å; L111-I168 HydrophobicContact CD2-CD1 3.89Å; T115-I168 HydrophobicContact CG2-CG2 3.74Å; Y123-I168 HydrophobicContact CD1-CD1 3.8Å; Y123-I168 HydrophobicContact CD1-CG1 3.75Å; Y123-I168 HydrophobicContact CD2-CG1 4.43Å; Y123-I168 HydrophobicContact CE1-CD1 3.96Å; Y123-I168 HydrophobicContact CE1-CG1 3.77Å; Y123-I168 HydrophobicContact CE2-CG1 4.47Å; Y123-I168 HydrophobicContact CG-CD1 4.5Å; Y123-I168 HydrophobicContact CG-CG1 4.1Å; F124-I168 HydrophobicContact CE2-CD1 3.99Å; F124-I168 HydrophobicContact CZ-CD1 3.98Å; H166-I168 HydrophobicContact CB-CD1 4.46Å; H166-I168 HydrophobicContact CB-CG1 4.47Å; I168-G170 PolarHBondContact O-N 3.34Å; I168-G170 VanDerWaalsContact O-N 3.14Å; I168-R171 PolarHBondContact N-O 3.26Å; I168-R171 PolarHBondContact O-N 3.48Å; I168-C173 HydrophobicContact CD1-CB 4.27Å
169D84.4Confident83.2Confident73 Ų7368.5 Ų68.539%0.3935%0.349SS..THydrogen-bonded Turntrans47.531.6-170.2-56.1-41.9000116.3P112 K114 T115P112-D169 HydrophobicContact CG-CB 3.86Å; K114-D169 WeakPolarHBondContact CE-OD2 3.4Å; K114-D169 IonicContact NZ-OD1 2.74Å; K114-D169 IonicContact NZ-OD2 3.06Å; T115-D169 WeakPolarHBondContact CB-OD2 3.3Å; T115-D169 PolarHBondContact OG1-OD2 3.27Å
170G84.7Confident81.8Confident68 Ų6870.3 Ų70.370%0.70137%0.365SS*.THydrogen-bonded Turntrans79.814.2-175.200000114.5I168I168-G170 PolarHBondContact O-N 3.34Å; I168-G170 VanDerWaalsContact O-N 3.14Å
171R87.4Confident79.9Confident118 Ų11875 Ų7545%0.44539%0.385SS..EExtended strand (participates in β ladder)trans-116.1130.2171.9-171.3168.4179175.1-2.9111.8G110 P112 M167 I168 C173G110-R171 WeakPolarHBondContact O-CD 3.35Å; G110-R171 PolarHBondContact O-NE 3.31Å; P112-R171 HydrophobicContact CG-CB 3.85Å; M167-R171 VanDerWaalsContact SD-C 3.55Å; M167-R171 PolarHBondContact SD-N 3.45Å; M167-R171 VanDerWaalsContact SD-N 3.44Å; I168-R171 PolarHBondContact N-O 3.26Å; I168-R171 PolarHBondContact O-N 3.48Å; R171-C173 PolarHBondContact O-N 2.82Å; R171-C173 PolarHBondContact O-SG 2.85Å; R171-C173 VanDerWaalsContact O-SG 3.33Å
172W88.9Confident77.8Confident140 Ų14083 Ų8353%0.5342%0.423SS..EExtended strand (participates in β ladder)trans-66.6122.8171.2-71.3114.3000111.7R165 H166 M167R165-W172 HydrophobicContact CB-CE3 3.98Å; R165-W172 HydrophobicContact CB-CZ3 4.13Å; H166-W172 CarbonylContact O-C 3.44Å; H166-W172 WeakPolarHBondContact O-CA 3.18Å; M167-W172 HydrophobicContact CB-CE3 4.35Å; M167-W172 HydrophobicContact CB-CZ3 4.25Å; M167-W172 HydrophobicContact CE-CD2 3.74Å; M167-W172 HydrophobicContact CE-CE3 4.26Å; M167-W172 HydrophobicContact CE-CG 4.2Å; M167-W172 HydrophobicContact CE-CH2 4.13Å; M167-W172 HydrophobicContact CE-CZ2 3.59Å; M167-W172 HydrophobicContact CE-CZ3 4.43Å; M167-W172 HydrophobicContact SD-CD2 4.28Å; M167-W172 HydrophobicContact SD-CG 4.47Å
173C89.6Confident75.6Confident0 Ų083.5 Ų83.50%043%0.432CS..EExtended strand (participates in β ladder)trans-120.7145.7179.9-58.10000110.3V108 L109 H166 I168 R171V108-C173 HydrophobicContact CG1-CB 4.15Å; L109-C173 VanDerWaalsContact O-CA 3.31Å; L109-C173 WeakPolarHBondContact O-CA 3.47Å; H166-C173 PolarHBondContact N-O 3.1Å; H166-C173 PolarHBondContact O-N 2.93Å; I168-C173 HydrophobicContact CD1-CB 4.27Å; R171-C173 PolarHBondContact O-N 2.82Å; R171-C173 PolarHBondContact O-SG 2.85Å; R171-C173 VanDerWaalsContact O-SG 3.33Å
174D84.8Confident73.8Confident41 Ų4184.4 Ų84.422%0.21944%0.436CS..EExtended strand (participates in β ladder)trans-109.9125179.6-749.5000110L109 R165 K176L109-D174 PolarHBondContact N-O 2.85Å; L109-D174 PolarHBondContact O-N 3.23Å; R165-D174 IonicContact CZ-OD1 3.19Å; R165-D174 VanDerWaalsContact CZ-OD1 3.23Å; R165-D174 IonicContact NE-OD1 2.7Å; R165-D174 PolarHBondContact NE-OD1 2.8Å; R165-D174 IonicContact NH2-OD1 3.38Å; R165-D174 PolarHBondContact NH2-OD1 3.36Å; D174-K176 IonicContact OD2-NZ 3.07Å; D174-K176 PolarHBondContact OD2-NZ 3.06Å
175C86.7Confident71.9Confident4 Ų487.9 Ų87.93%0.02746%0.457CS..EExtended strand (participates in β ladder)trans-95.6126.3172.6-670000110.7F124 V161 H166F124-C175 VanDerWaalsContact CZ-SG 3.51Å; V161-C175 HydrophobicContact CG1-CB 3.69Å; H166-C175 PolarHBondContact CD2-SG 2.66Å
176K81.9Confident70Confident93 Ų9386 Ų8640%0.40445%0.454SS..EExtended strand (participates in β ladder)trans-141.7160.2-177.2-64.9178.3-177.41480110.1L106 I107 L109 D174L106-K176 CarbonylContact C-O 3.6Å; L106-K176 WeakPolarHBondContact CA-O 3.12Å; I107-K176 HydrophobicContact CG2-CB 4.39Å; I107-K176 WeakPolarHBondContact CG2-O 3.25Å; I107-K176 PolarHBondContact N-O 2.86Å; I107-K176 PolarHBondContact O-N 3.4Å; L109-K176 HydrophobicContact CD1-CD 4.39Å; D174-K176 IonicContact OD2-NZ 3.07Å; D174-K176 PolarHBondContact OD2-NZ 3.06Å
177L80.3Confident68.2Low79 Ų7989.5 Ų89.541%0.41448%0.477SS..  trans-66.1133.2161.2-77.3165.1000108.4L106 M162L106-L177 HydrophobicContact CD2-CD2 3.89Å; L106-L177 HydrophobicContact CD2-CG 4.11Å; M162-L177 HydrophobicContact CE-CB 4.37Å; M162-L177 HydrophobicContact CE-CD1 3.84Å; M162-L177 HydrophobicContact CE-CG 3.76Å; M162-L177 HydrophobicContact SD-CD1 4.19Å; M162-L177 HydrophobicContact SD-CG 3.84Å
178P70.4Confident66.4Low30 Ų3089.1 Ų89.120%0.19548%0.476CS..  trans-66.2142171.427.2-32.4000109.3D105 I107 F149 S180D105-P178 WeakPolarHBondContact O-CD 3.44Å; D105-P178 VanDerWaalsContact O-CG 3.23Å; D105-P178 WeakPolarHBondContact O-CG 3.43Å; I107-P178 HydrophobicContact CB-CB 4.08Å; I107-P178 HydrophobicContact CG2-CB 3.95Å; F149-P178 HydrophobicContact CE1-CB 4.02Å; F149-P178 HydrophobicContact CE1-CG 4.11Å; P178-S180 PolarHBondContact O-N 3.03Å
179N57.9Low64.9Low162 Ų16294.5 Ų94.587%0.86650%0.496SS*.  trans-66.394.3154.8-70.814000106.4K181N179-K181 PolarHBondContact O-N 2.74Å
180S50.5Low63.8Low97 Ų9792.2 Ų92.268%0.67849%0.486SS*.  trans-49.3123.8179.4-64.50000109.8P178 Q182P178-S180 PolarHBondContact O-N 3.03Å; S180-Q182 PolarHBondContact O-N 2.89Å; S180-Q182 VanDerWaalsContact O-N 3.11Å
181K43.9Very low63.3Low206 Ų20693.5 Ų93.590%0.89647%0.469SS*.  trans-62.9117.9171.7-74.8-170.7172.1-169.30107.3N179 S183N179-K181 PolarHBondContact O-N 2.74Å; K181-S183 PolarHBondContact O-N 3.07Å; K181-S183 VanDerWaalsContact O-N 3.1Å
182Q43.5Very low63Low169 Ų16991 Ų9179%0.7946%0.462SS*.  trans-60.4112.6-170.3-66.5147.8-61.800110.6S180S180-Q182 PolarHBondContact O-N 2.89Å; S180-Q182 VanDerWaalsContact O-N 3.11Å
183S37.8Very low62.9Low78 Ų7884.3 Ų84.355%0.54544%0.437SS..  trans-68.1127.3143.248.40000107K181 D185K181-S183 PolarHBondContact O-N 3.07Å; K181-S183 VanDerWaalsContact O-N 3.1Å; S183-D185 PolarHBondContact O-N 2.94Å; S183-D185 VanDerWaalsContact O-N 3.11Å
184P45.7Very low62.7Low120 Ų12087 Ų8778%0.77945%0.448SS*.THydrogen-bonded Turntrans-66.6-14.1-171.425.2-34.2000114.6
185D40.5Very low62.7Low149 Ų14985 Ų8580%0.79744%0.438SS*.THydrogen-bonded Turntrans-101.78.5-170.1-53.4-64.9000116S183S183-D185 PolarHBondContact O-N 2.94Å; S183-D185 VanDerWaalsContact O-N 3.11Å
186E46.5Very low62.4Low96 Ų9685.1 Ų85.145%0.44944%0.439SS..SBendtrans-105.1113.7171.4-120.8-97.1121.400109.6L188 R189E186-L188 PolarHBondContact O-N 2.81Å; E186-R189 IonicContact OE1-NE 2.7Å; E186-R189 IonicContact OE2-CZ 3.76Å; E186-R189 IonicContact OE2-NE 3.81Å; E186-R189 PolarHBondContact OE2-NE 3.42Å; E186-R189 IonicContact OE2-NH2 3.82Å; E186-R189 PolarHBondContact OE2-NH2 2.81Å
187P49.6Very low62.2Low75 Ų7586.9 Ų86.949%0.48744%0.443SS..  trans-66.2121.7179.626.6-32.9000109.8R189 Q241P187-R189 PolarHBondContact O-N 3.35Å; P187-R189 VanDerWaalsContact O-N 3.16Å; P187-Q241 PolarHBondContact O-NE2 2.89Å
188L51.9Low62.2Low68 Ų6883.4 Ų83.436%0.35643%0.426SS..  trans-38.7118.1-175-99.259.7000112.3E186 S190 N259 P262E186-L188 PolarHBondContact O-N 2.81Å; L188-S190 PolarHBondContact O-N 3.16Å; L188-S190 PolarHBondContact O-OG 2.86Å; L188-N259 PolarHBondContact O-ND2 3.11Å; L188-P262 HydrophobicContact CD2-CG 4.18Å
189R55.4Low62.6Low118 Ų11884 Ų8445%0.44543%0.429SS..  trans-7256.1167.1-83178.2-84.8140.2-1.3111.3E186 P187 Q241E186-R189 IonicContact OE1-NE 2.7Å; E186-R189 IonicContact OE2-CZ 3.76Å; E186-R189 IonicContact OE2-NE 3.81Å; E186-R189 PolarHBondContact OE2-NE 3.42Å; E186-R189 IonicContact OE2-NH2 3.82Å; E186-R189 PolarHBondContact OE2-NH2 2.81Å; P187-R189 PolarHBondContact O-N 3.35Å; P187-R189 VanDerWaalsContact O-N 3.16Å; R189-Q241 HydrophobicContact CG-CG 4.44Å; R189-Q241 VanDerWaalsContact CG-NE2 3.31Å
190S62.3Low63.5Low25 Ų2583.3 Ų83.318%0.17542%0.421CS..  trans-86111.8175.854.80000109.4L188 K192 A240L188-S190 PolarHBondContact O-N 3.16Å; L188-S190 PolarHBondContact O-OG 2.86Å; S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 PolarHBondContact OG-O 3.14Å; S190-A240 WeakPolarHBondContact O-CB 3.4Å
191R73.2Confident64.8Low95 Ų9584.3 Ų84.336%0.35842%0.418SS..SBendtrans-58.3-14.5169.9-67.4-174.6-178.2176.73.7114.1T233 F234 A235 D237R191-T233 HydrophobicContact CB-CG2 4.47Å; R191-T233 WeakPolarHBondContact O-CA 3.37Å; R191-F234 PolarHBondContact O-N 3.37Å; R191-A235 WeakPolarHBondContact CD-O 3.46Å; R191-A235 PolarHBondContact NE-O 2.7Å; R191-A235 PolarHBondContact NH1-O 3.02Å; R191-D237 HydrophobicContact CG-CB 3.66Å; R191-D237 IonicContact CZ-OD1 2.7Å; R191-D237 IonicContact NE-OD1 3.97Å; R191-D237 PolarHBondContact NE-OD1 3.02Å; R191-D237 IonicContact NH2-OD1 2.75Å; R191-D237 PolarHBondContact NH2-OD1 3.11Å; R191-D237 VanDerWaalsContact NH2-OD1 3.08Å
192K82.1Confident66.4Low65 Ų6574.7 Ų74.728%0.28338%0.377SS..EExtended strand (participates in β ladder)trans-96.1125.4172.9-165.7173.8-76.8-81.50109.4S190 D219 F231 V232 T233 A260S190-K192 PolarHBondContact O-N 2.98Å; S190-K192 PolarHBondContact OG-O 3.14Å; K192-D219 IonicContact NZ-OD2 2.7Å; K192-D219 PolarHBondContact NZ-OD2 2.85Å; K192-F231 HydrophobicContact CD-CB 3.96Å; K192-F231 HydrophobicContact CD-CD1 4.19Å; K192-F231 HydrophobicContact CD-CG 4.3Å; K192-F231 HydrophobicContact CG-CB 4.04Å; K192-F231 HydrophobicContact CG-CD1 4.3Å; K192-V232 CarbonylContact C-O 3.56Å; K192-V232 VanDerWaalsContact CA-O 3.28Å; K192-V232 WeakPolarHBondContact CA-O 3.47Å; K192-T233 HydrophobicContact CB-CG2 4.28Å; K192-T233 VanDerWaalsContact CE-OG1 3.32Å; K192-T233 WeakPolarHBondContact CE-OG1 3.45Å; K192-T233 PolarHBondContact NZ-OG1 3.15Å; K192-A260 HydrophobicContact CB-CB 4Å; K192-A260 HydrophobicContact CD-CB 4.35Å; K192-A260 HydrophobicContact CG-CB 3.85Å; K192-A260 WeakPolarHBondContact O-CB 3.39Å; K192-A260 PolarHBondContact O-N 3.35Å
193V86.3Confident68.4Low1 Ų169.8 Ų69.81%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-100.9151.9167.6-58.40000110.1V195 F231 V232 F234 A240 I257 S258V193-V195 HydrophobicContact CG2-CG2 4.06Å; V193-F231 WeakPolarHBondContact O-CA 3.4Å; V193-V232 HydrophobicContact CG2-CB 3.89Å; V193-V232 PolarHBondContact N-O 3.48Å; V193-V232 PolarHBondContact O-N 2.99Å; V193-F234 HydrophobicContact CG1-CE2 4.29Å; V193-F234 HydrophobicContact CG2-CE2 3.88Å; V193-A240 HydrophobicContact CG1-CB 3.78Å; V193-A240 WeakPolarHBondContact CG1-O 3.43Å; V193-I257 HydrophobicContact CB-CG2 3.81Å; V193-I257 HydrophobicContact CG1-CG2 4.14Å; V193-I257 HydrophobicContact CG2-CG2 4.07Å; V193-S258 WeakPolarHBondContact CA-O 3.18Å
194F85.8Confident70.7Confident55 Ų5567.7 Ų67.724%0.24135%0.346CS..EExtended strand (participates in β ladder)trans-94.4131166.3169.4-86.9000107.9F229 F231 I257 S258 A260F194-F229 HydrophobicContact CD2-CB 4.32Å; F194-F229 HydrophobicContact CD2-CD2 4.07Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.37Å; F194-F229 HydrophobicContact CE2-CB 3.47Å; F194-F229 VanDerWaalsContact CE2-CB 3.47Å; F194-F229 AromaticContact CE2-CD1 3.97Å; F194-F229 HydrophobicContact CE2-CD1 3.97Å; F194-F229 AromaticContact CE2-CD2 3.48Å; F194-F229 HydrophobicContact CE2-CD2 3.48Å; F194-F229 VanDerWaalsContact CE2-CD2 3.48Å; F194-F229 HydrophobicContact CE2-CE2 4.12Å; F194-F229 AromaticContact CE2-CG 3.4Å; F194-F229 HydrophobicContact CE2-CG 3.4Å; F194-F229 HydrophobicContact CZ-CB 3.49Å; F194-F229 VanDerWaalsContact CZ-CB 3.49Å; F194-F229 HydrophobicContact CZ-CD1 4.21Å; F194-F229 HydrophobicContact CZ-CD2 4.35Å; F194-F229 AromaticContact CZ-CG 3.82Å; F194-F229 HydrophobicContact CZ-CG 3.82Å; F194-F231 HydrophobicContact CB-CD1 4.25Å; F194-F231 HydrophobicContact CB-CE1 4.16Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.09Å; F194-F231 HydrophobicContact CG-CE1 4.5Å; F194-I257 WeakPolarHBondContact O-CA 3.18Å; F194-S258 WeakPolarHBondContact CD1-OG 3.2Å; F194-S258 PolarHBondContact N-O 2.94Å; F194-S258 PolarHBondContact O-N 3.4Å; F194-A260 HydrophobicContact CB-CB 4.41Å
195V84.9Confident72.6Confident0 Ų067.3 Ų67.30%034%0.337CS..EExtended strand (participates in β ladder)trans-114.8104.3177.1-172.10000107V193 C198 F211 F229 A230 V232 V255V193-V195 HydrophobicContact CG2-CG2 4.06Å; V195-C198 PolarHBondContact O-SG 3.4Å; V195-C198 VanDerWaalsContact O-SG 3.36Å; V195-F211 HydrophobicContact CG1-CE2 4.39Å; V195-F211 HydrophobicContact CG1-CZ 4.3Å; V195-F211 HydrophobicContact CG2-CE2 3.92Å; V195-F211 HydrophobicContact CG2-CZ 3.94Å; V195-F229 CarbonylContact O-C 3.5Å; V195-F229 WeakPolarHBondContact O-CA 3.28Å; V195-F229 WeakPolarHBondContact O-CB 3.35Å; V195-A230 PolarHBondContact N-O 3.23Å; V195-A230 PolarHBondContact O-N 2.7Å; V195-V232 HydrophobicContact CG2-CB 4.42Å; V195-V232 HydrophobicContact CG2-CG2 3.86Å; V195-V255 HydrophobicContact CG1-CB 3.83Å; V195-V255 HydrophobicContact CG1-CG1 4.44Å; V195-V255 HydrophobicContact CG1-CG2 3.9Å
196G79.8Confident74.7Confident6 Ų663.2 Ų63.26%0.06231%0.313CS..EExtended strand (participates in β ladder)trans-95.4166.5178.600000112.7C198 V255 H256G196-C198 PolarHBondContact O-N 2.89Å; G196-V255 CarbonylContact O-C 3.56Å; G196-V255 VanDerWaalsContact O-CA 3.3Å; G196-V255 WeakPolarHBondContact O-CA 3.4Å; G196-V255 WeakPolarHBondContact O-CB 3.16Å; G196-H256 PolarHBondContact N-O 2.91Å; G196-H256 PolarHBondContact O-N 2.82Å
197R78.4Confident76.6Confident130 Ų13058.7 Ų58.749%0.49129%0.292SS..SBendtrans64.420.2-175.3-43.4177.9-168.9145.86.9114.3A228 D247 S254 H256R197-A228 PolarHBondContact N-O 2.77Å; R197-D247 IonicContact CZ-OD1 3.52Å; R197-D247 IonicContact CZ-OD2 3.71Å; R197-D247 IonicContact NH1-OD1 2.86Å; R197-D247 PolarHBondContact NH1-OD1 2.9Å; R197-D247 IonicContact NH1-OD2 2.87Å; R197-D247 PolarHBondContact NH1-OD2 3.42Å; R197-D247 IonicContact NH2-OD1 3.65Å; R197-D247 IonicContact NH2-OD2 3.58Å; R197-S254 WeakPolarHBondContact CB-O 3.31Å; R197-S254 PolarHBondContact NH1-OG 3.29Å; R197-H256 HydrophobicContact CG-CB 4.42Å
198C78.9Confident78.4Confident7 Ų761.8 Ų61.85%0.04729%0.294CS..  trans-62.8146.8170.4-58.20000110.6V195 G196 M202 F226 A228V195-C198 PolarHBondContact O-SG 3.4Å; V195-C198 VanDerWaalsContact O-SG 3.36Å; G196-C198 PolarHBondContact O-N 2.89Å; C198-M202 HydrophobicContact CB-SD 3.96Å; C198-F226 HydrophobicContact CB-CZ 4.38Å; C198-F226 WeakPolarHBondContact O-CZ 3.42Å; C198-A228 PolarHBondContact N-O 3.05Å; C198-A228 VanDerWaalsContact N-O 3.13Å; C198-A228 VanDerWaalsContact O-CA 3.29Å; C198-A228 WeakPolarHBondContact O-CA 3.13Å; C198-A228 WeakPolarHBondContact O-CB 3.34Å
199T78.7Confident79.9Confident42 Ų4266 Ų6626%0.25831%0.312SS..  trans-94164165.758.80000111.3D201 M202 F226 I253T199-D201 PolarHBondContact O-N 2.83Å; T199-M202 WeakPolarHBondContact O-CB 3.3Å; T199-M202 PolarHBondContact O-N 3.47Å; T199-F226 VanDerWaalsContact O-CZ 3.31Å; T199-F226 WeakPolarHBondContact O-CZ 3.45Å; T199-I253 HydrophobicContact CG2-CD1 3.76Å; T199-I253 HydrophobicContact CG2-CG1 4.49Å; T199-I253 HydrophobicContact CG2-CG2 4.31Å
200E77.9Confident81.4Confident148 Ų14862.6 Ų62.669%0.69230%0.3SS*.THydrogen-bonded Turntrans-68.9-21.1-179.2-167.7158.6-161.100112.1M202 F226E200-M202 PolarHBondContact O-N 3.35Å; E200-F226 HydrophobicContact CB-CD1 3.9Å; E200-F226 HydrophobicContact CB-CD2 4.41Å; E200-F226 HydrophobicContact CB-CE1 3.92Å; E200-F226 HydrophobicContact CB-CE2 4.43Å; E200-F226 HydrophobicContact CB-CG 4.15Å; E200-F226 HydrophobicContact CB-CZ 4.2Å; E200-F226 HydrophobicContact CG-CB 4.37Å; E200-F226 HydrophobicContact CG-CD1 4.23Å; E200-F226 HydrophobicContact CG-CD2 4.3Å; E200-F226 HydrophobicContact CG-CG 4.03Å
201D77.1Confident82.4Confident117 Ų11761.4 Ų61.463%0.62629%0.292SS*.THydrogen-bonded Turntrans-73.5-3.6173.4-40.3-82000114.4T199 K251T199-D201 PolarHBondContact O-N 2.83Å; D201-K251 PolarHBondContact O-NZ 2.88Å
202M77.9Confident82.9Confident5 Ų559.7 Ų59.73%0.02530%0.298CS..  trans-90.7109.2175.9-65.6-175.1178.500110.2C198 T199 E200 L207 I222 I250 I253 V255C198-M202 HydrophobicContact CB-SD 3.96Å; T199-M202 WeakPolarHBondContact O-CB 3.3Å; T199-M202 PolarHBondContact O-N 3.47Å; E200-M202 PolarHBondContact O-N 3.35Å; M202-L207 HydrophobicContact CB-CD2 4.46Å; M202-L207 HydrophobicContact SD-CD2 4.24Å; M202-I222 WeakPolarHBondContact O-CD1 3.36Å; M202-I250 HydrophobicContact CE-CB 3.96Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 HydrophobicContact SD-CG2 4.38Å; M202-I253 HydrophobicContact CE-CB 3.67Å; M202-I253 HydrophobicContact CE-CD1 3.76Å; M202-I253 HydrophobicContact CE-CG1 4.34Å; M202-I253 HydrophobicContact CE-CG2 3.78Å; M202-V255 HydrophobicContact CE-CG1 3.86Å; M202-V255 HydrophobicContact SD-CG1 3.99Å
203T86.6Confident82.9Confident66 Ų6662.6 Ų62.641%0.40531%0.313SS..  trans-81.3161177.872.50000112D205 E206 L207T203-D205 PolarHBondContact O-N 3.49Å; T203-E206 PolarHBondContact N-OE2 3.37Å; T203-E206 PolarHBondContact O-N 3.34Å; T203-E206 WeakPolarHBondContact OG1-CG 3.24Å; T203-E206 PolarHBondContact OG1-N 3.18Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; T203-L207 WeakPolarHBondContact O-CG 3.34Å; T203-L207 PolarHBondContact O-N 3.33Å
204A84.9Confident82.6Confident34 Ų3466.9 Ų66.928%0.28133%0.329SS..Hα-helixtrans-62.1-35176.500000111.9R208 V220 I222A204-R208 VanDerWaalsContact O-CB 3.25Å; A204-R208 WeakPolarHBondContact O-CB 3.27Å; A204-R208 PolarHBondContact O-N 2.94Å; A204-V220 HydrophobicContact CB-CB 4.26Å; A204-V220 HydrophobicContact CB-CG1 3.91Å; A204-I222 HydrophobicContact CB-CD1 4.15Å; A204-I222 HydrophobicContact CB-CG1 4.42Å
205D85.1Confident82.3Confident111 Ų11165.1 Ų65.159%0.59433%0.327SS*.Hα-helixtrans-71.1-38.7177.3-60.2-79.1000112.7T203 R208 Q209T203-D205 PolarHBondContact O-N 3.49Å; D205-R208 PolarHBondContact O-N 2.88Å; D205-Q209 WeakPolarHBondContact O-CB 3.45Å; D205-Q209 PolarHBondContact O-N 2.91Å
206E85.7Confident82.1Confident64 Ų6472.1 Ų72.130%0.29936%0.36SS..Hα-helixtrans-63.7-46.3172.9-76.3-179.6157.300111.8T203 R208 Q209 F210 K251T203-E206 PolarHBondContact N-OE2 3.37Å; T203-E206 PolarHBondContact O-N 3.34Å; T203-E206 WeakPolarHBondContact OG1-CG 3.24Å; T203-E206 PolarHBondContact OG1-N 3.18Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 3.33Å; E206-Q209 PolarHBondContact O-N 2.9Å; E206-F210 WeakPolarHBondContact O-CB 3.5Å; E206-F210 PolarHBondContact O-N 3.48Å; E206-K251 IonicContact OE1-NZ 3.23Å; E206-K251 PolarHBondContact OE1-NZ 2.89Å; E206-K251 IonicContact OE2-NZ 2.84Å; E206-K251 PolarHBondContact OE2-NZ 3.4Å
207L85.9Confident82.4Confident1 Ų172.3 Ų72.31%0.00536%0.36CS..Hα-helixtrans-60.3-44.5173.9-67.9177.6000110.5M202 T203 Q209 F210 F211 V220 I222 A230 I250M202-L207 HydrophobicContact CB-CD2 4.46Å; M202-L207 HydrophobicContact SD-CD2 4.24Å; T203-L207 WeakPolarHBondContact O-CG 3.34Å; T203-L207 PolarHBondContact O-N 3.33Å; L207-Q209 PolarHBondContact O-N 3.06Å; L207-F210 PolarHBondContact O-N 3.33Å; L207-F211 HydrophobicContact CB-CD2 4.44Å; L207-F211 HydrophobicContact CD2-CE2 4.32Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 WeakPolarHBondContact O-CD2 3.34Å; L207-F211 PolarHBondContact O-N 3.15Å; L207-V220 HydrophobicContact CB-CG1 4.08Å; L207-V220 HydrophobicContact CD1-CG1 4.2Å; L207-I222 HydrophobicContact CD1-CD1 4.06Å; L207-I222 HydrophobicContact CD1-CG1 4.32Å; L207-A230 HydrophobicContact CD1-CB 3.63Å; L207-I250 HydrophobicContact CD2-CD1 3.68Å
208R86.6Confident82.5Confident140 Ų14070.6 Ų70.653%0.52836%0.363SS..Hα-helixtrans-59.4-46.1176.9-176.4174.4176-116.1-5.3111.9A204 D205 E206 F211 A212 V217 V220A204-R208 VanDerWaalsContact O-CB 3.25Å; A204-R208 WeakPolarHBondContact O-CB 3.27Å; A204-R208 PolarHBondContact O-N 2.94Å; D205-R208 PolarHBondContact O-N 2.88Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 3.33Å; R208-F211 PolarHBondContact O-N 3.33Å; R208-A212 VanDerWaalsContact O-CB 3.28Å; R208-A212 WeakPolarHBondContact O-CB 3.4Å; R208-A212 PolarHBondContact O-N 2.88Å; R208-V217 HydrophobicContact CB-CG1 4.45Å; R208-V217 HydrophobicContact CG-CB 4.07Å; R208-V217 HydrophobicContact CG-CG1 3.96Å; R208-V220 HydrophobicContact CB-CG2 3.85Å; R208-V220 HydrophobicContact CG-CG2 4.45Å
209Q85Confident82.6Confident156 Ų15673.4 Ų73.473%0.72938%0.378SS*.Hα-helixtrans-68.6-38.9-179.8-171.6173.99.800112D205 E206 L207D205-Q209 WeakPolarHBondContact O-CB 3.45Å; D205-Q209 PolarHBondContact O-N 2.91Å; E206-Q209 PolarHBondContact O-N 2.9Å; L207-Q209 PolarHBondContact O-N 3.06Å
210F85.2Confident83Confident46 Ų4672.6 Ų72.620%0.20237%0.373CS..Hα-helixtrans-66.5-43.2174.7-177.6-91.3000111.9E206 L207 Q213 Y214 L248 I250E206-F210 WeakPolarHBondContact O-CB 3.5Å; E206-F210 PolarHBondContact O-N 3.48Å; L207-F210 PolarHBondContact O-N 3.33Å; F210-Q213 VanDerWaalsContact O-CG 3.27Å; F210-Q213 WeakPolarHBondContact O-CG 3.34Å; F210-Q213 PolarHBondContact O-NE2 2.77Å; F210-Y214 HydrophobicContact CD1-CE2 4.39Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.24Å; F210-L248 HydrophobicContact CE1-CB 4.28Å; F210-L248 HydrophobicContact CE1-CD1 3.82Å; F210-L248 HydrophobicContact CZ-CB 4.45Å; F210-L248 HydrophobicContact CZ-CD1 4.46Å; F210-I250 HydrophobicContact CD1-CD1 3.51Å; F210-I250 HydrophobicContact CD1-CG1 3.64Å; F210-I250 HydrophobicContact CD2-CG1 4.12Å; F210-I250 HydrophobicContact CE1-CD1 3.81Å; F210-I250 HydrophobicContact CE1-CG1 3.57Å; F210-I250 HydrophobicContact CE2-CG1 4.05Å; F210-I250 HydrophobicContact CG-CD1 3.99Å; F210-I250 HydrophobicContact CG-CG1 3.92Å; F210-I250 HydrophobicContact CZ-CG1 3.78Å
211F84.8Confident83.3Confident0 Ų070.6 Ų70.60%036%0.362CS..Hα-helixtrans-75.8-22.4179.7-76.9-62.4000113.7V195 L207 R208 Q213 Y214 G215 V217 V232 F234 L243 L248 I250 I257V195-F211 HydrophobicContact CG1-CE2 4.39Å; V195-F211 HydrophobicContact CG1-CZ 4.3Å; V195-F211 HydrophobicContact CG2-CE2 3.92Å; V195-F211 HydrophobicContact CG2-CZ 3.94Å; L207-F211 HydrophobicContact CB-CD2 4.44Å; L207-F211 HydrophobicContact CD2-CE2 4.32Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 WeakPolarHBondContact O-CD2 3.34Å; L207-F211 PolarHBondContact O-N 3.15Å; R208-F211 PolarHBondContact O-N 3.33Å; F211-Q213 PolarHBondContact O-N 3.03Å; F211-Q213 VanDerWaalsContact O-N 3.14Å; F211-Y214 HydrophobicContact CD1-CD2 4.21Å; F211-Y214 PolarHBondContact O-N 3.16Å; F211-G215 PolarHBondContact O-N 2.7Å; F211-V217 HydrophobicContact CB-CG2 3.57Å; F211-V232 HydrophobicContact CB-CG1 4.21Å; F211-V232 HydrophobicContact CD2-CB 4.38Å; F211-V232 HydrophobicContact CD2-CG1 4.08Å; F211-V232 HydrophobicContact CD2-CG2 3.74Å; F211-V232 HydrophobicContact CE2-CG2 3.9Å; F211-V232 HydrophobicContact CG-CG1 4.2Å; F211-F234 HydrophobicContact CB-CE1 3.96Å; F211-F234 HydrophobicContact CB-CZ 3.87Å; F211-F234 AromaticContact CD1-CZ 3.77Å; F211-F234 HydrophobicContact CD1-CZ 3.77Å; F211-F234 HydrophobicContact CG-CZ 4Å; F211-L243 HydrophobicContact CD1-CD1 4.13Å; F211-L243 HydrophobicContact CE1-CD1 4.35Å; F211-L248 HydrophobicContact CE1-CD1 3.8Å; F211-L248 HydrophobicContact CZ-CD1 4.47Å; F211-I250 HydrophobicContact CE2-CD1 4.17Å; F211-I250 HydrophobicContact CZ-CD1 4.3Å; F211-I257 HydrophobicContact CE1-CD1 3.5Å; F211-I257 HydrophobicContact CZ-CD1 3.68Å; F211-I257 HydrophobicContact CZ-CG1 4.44Å
212A82.9Confident83.7Confident59 Ų5966.8 Ų66.849%0.48834%0.341SS..THydrogen-bonded Turntrans-59.7-21174.800000114.4R208 Y214 G215R208-A212 VanDerWaalsContact O-CB 3.28Å; R208-A212 WeakPolarHBondContact O-CB 3.4Å; R208-A212 PolarHBondContact O-N 2.88Å; A212-Y214 VanDerWaalsContact C-N 3.28Å; A212-Y214 PolarHBondContact O-N 2.83Å; A212-G215 WeakPolarHBondContact CA-O 3.36Å
213Q81.4Confident83.8Confident126 Ų12667.4 Ų67.459%0.58935%0.345SS*.THydrogen-bonded Turntrans-72.2-21.117583.1-165.5-58.100113.3F210 F211F210-Q213 VanDerWaalsContact O-CG 3.27Å; F210-Q213 WeakPolarHBondContact O-CG 3.34Å; F210-Q213 PolarHBondContact O-NE2 2.77Å; F211-Q213 PolarHBondContact O-N 3.03Å; F211-Q213 VanDerWaalsContact O-N 3.14Å
214Y79.9Confident83.6Confident91 Ų9173.7 Ų73.736%0.35737%0.367SS..THydrogen-bonded Turntrans-99.5-27.2-179.9-59.4-77.4000112.7F210 F211 A212 V239 L243 L248F210-Y214 HydrophobicContact CD1-CE2 4.39Å; F210-Y214 AromaticContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CE1-CE2 3.83Å; F210-Y214 HydrophobicContact CZ-CE2 4.24Å; F211-Y214 HydrophobicContact CD1-CD2 4.21Å; F211-Y214 PolarHBondContact O-N 3.16Å; A212-Y214 VanDerWaalsContact C-N 3.28Å; A212-Y214 PolarHBondContact O-N 2.83Å; Y214-V239 WeakPolarHBondContact O-CG1 3.41Å; Y214-L243 HydrophobicContact CD1-CD2 3.7Å; Y214-L243 HydrophobicContact CD2-CD1 4.4Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.03Å; Y214-L243 HydrophobicContact CE2-CD2 4.48Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.77Å; Y214-L248 HydrophobicContact CE2-CD1 3.87Å
215G79.8Confident83.4Confident18 Ų1876.6 Ų76.619%0.18638%0.383CS..SBendtrans175.3170.1175.900000112.8F211 A212 V217F211-G215 PolarHBondContact O-N 2.7Å; A212-G215 WeakPolarHBondContact CA-O 3.36Å; G215-V217 PolarHBondContact O-N 3.19Å
216E81.1Confident83.2Confident148 Ų14874.2 Ų74.269%0.69237%0.368SS*.  trans-64.3119.9-178.1-176.4178.2-176.300111.7F234 A235E216-F234 CarbonylContact O-C 3.52Å; E216-F234 VanDerWaalsContact O-CA 3.3Å; E216-F234 WeakPolarHBondContact O-CA 3.35Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.19Å; E216-A235 PolarHBondContact O-N 3.37Å
217V85.6Confident82.7Confident10 Ų1078.8 Ų78.86%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-95.9115.1178.8-179.30000110.4R208 F211 G215 V220 V232 F234R208-V217 HydrophobicContact CB-CG1 4.45Å; R208-V217 HydrophobicContact CG-CB 4.07Å; R208-V217 HydrophobicContact CG-CG1 3.96Å; F211-V217 HydrophobicContact CB-CG2 3.57Å; G215-V217 PolarHBondContact O-N 3.19Å; V217-V220 HydrophobicContact CG1-CG2 3.55Å; V217-V232 HydrophobicContact CG1-CG1 3.8Å; V217-V232 HydrophobicContact CG2-CG1 4.27Å; V217-F234 HydrophobicContact CG2-CD1 4.03Å; V217-F234 HydrophobicContact CG2-CE1 3.76Å
218V82.2Confident82.3Confident94 Ų9480.9 Ų80.957%0.5740%0.399SS*.EExtended strand (participates in β ladder)trans-85.5-40.4-176.8177.30000112.3T233 A235V218-T233 PolarHBondContact N-O 2.93Å; V218-A235 HydrophobicContact CG2-CB 3.86Å
219D79.5Confident82.3Confident66 Ų6676.5 Ų76.535%0.35338%0.384SS..EExtended strand (participates in β ladder)trans-151.5138-173.6161.153000110.9K192 T233K192-D219 IonicContact NZ-OD2 2.7Å; K192-D219 PolarHBondContact NZ-OD2 2.85Å; D219-T233 PolarHBondContact N-O 2.82Å; D219-T233 PolarHBondContact O-N 3.27Å; D219-T233 PolarHBondContact O-OG1 3.37Å; D219-T233 PolarHBondContact OD2-OG1 3.38Å
220V87.1Confident82.3Confident24 Ų2469.1 Ų69.115%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-128.7115.4172.8179.90000109.2A204 L207 R208 V217 F231 V232A204-V220 HydrophobicContact CB-CB 4.26Å; A204-V220 HydrophobicContact CB-CG1 3.91Å; L207-V220 HydrophobicContact CB-CG1 4.08Å; L207-V220 HydrophobicContact CD1-CG1 4.2Å; R208-V220 HydrophobicContact CB-CG2 3.85Å; R208-V220 HydrophobicContact CG-CG2 4.45Å; V217-V220 HydrophobicContact CG1-CG2 3.55Å; V220-F231 WeakPolarHBondContact CA-O 3.17Å; V220-V232 HydrophobicContact CG1-CG2 4.29Å; V220-V232 HydrophobicContact CG2-CG1 4.31Å; V220-V232 HydrophobicContact CG2-CG2 4.23Å
221F84.3Confident82.5Confident106 Ų10668.1 Ų68.147%0.46535%0.345SS..EExtended strand (participates in β ladder)trans-117.1107.7-176.2-178.9-103.9000111.3P223 F231F221-P223 HydrophobicContact CD1-CG 4.25Å; F221-P223 HydrophobicContact CE1-CB 4.2Å; F221-P223 HydrophobicContact CE1-CG 3.88Å; F221-F231 HydrophobicContact CD1-CD2 4.08Å; F221-F231 PolarHBondContact N-O 2.74Å; F221-F231 PolarHBondContact O-N 3.35Å
222I85.6Confident82.6Confident38 Ų3868.1 Ų68.120%0.19535%0.345CS..  trans-96.6114.5170.3-52.4-179.2000108.1M202 A204 L207 F226 A230M202-I222 WeakPolarHBondContact O-CD1 3.36Å; A204-I222 HydrophobicContact CB-CD1 4.15Å; A204-I222 HydrophobicContact CB-CG1 4.42Å; L207-I222 HydrophobicContact CD1-CD1 4.06Å; L207-I222 HydrophobicContact CD1-CG1 4.32Å; I222-F226 HydrophobicContact CG2-CD2 4.09Å; I222-F226 HydrophobicContact CG2-CE2 4.21Å; I222-A230 HydrophobicContact CG1-CB 3.94Å
223P80.6Confident82.7Confident17 Ų1766.4 Ų66.411%0.1133%0.329CS..  trans-64.2144.1178.4-18.731.1000112.4F221 P225 F229 F231F221-P223 HydrophobicContact CD1-CG 4.25Å; F221-P223 HydrophobicContact CE1-CB 4.2Å; F221-P223 HydrophobicContact CE1-CG 3.88Å; P223-P225 CarbonylContact O-C 3.6Å; P223-F229 WeakPolarHBondContact CD-O 3.28Å; P223-F229 HydrophobicContact CG-CD2 4.17Å; P223-F229 HydrophobicContact CG-CE2 3.68Å; P223-F229 HydrophobicContact CG-CZ 4.37Å; P223-F231 HydrophobicContact CG-CE2 4.43Å
224K82.5Confident82.9Confident198 Ų19860.6 Ų60.686%0.86130%0.302SS*.SBendtrans-112.8139.7168.2-65.3-171.9177.9-174.10110
225P80.5Confident82.7Confident95 Ų9558 Ų5862%0.61730%0.299SS*.SBendcis-59.4157.7-8.529.8-37.5000111.6P223 R227P223-P225 CarbonylContact O-C 3.6Å; P225-R227 WeakPolarHBondContact O-CG 3.32Å
226F81.2Confident82.5Confident61 Ų6160 Ų6027%0.26831%0.305SS..  trans-59.9143.5-176.3-174.4-104.1000111.8C198 T199 E200 I222 A228C198-F226 HydrophobicContact CB-CZ 4.38Å; C198-F226 WeakPolarHBondContact O-CZ 3.42Å; T199-F226 VanDerWaalsContact O-CZ 3.31Å; T199-F226 WeakPolarHBondContact O-CZ 3.45Å; E200-F226 HydrophobicContact CB-CD1 3.9Å; E200-F226 HydrophobicContact CB-CD2 4.41Å; E200-F226 HydrophobicContact CB-CE1 3.92Å; E200-F226 HydrophobicContact CB-CE2 4.43Å; E200-F226 HydrophobicContact CB-CG 4.15Å; E200-F226 HydrophobicContact CB-CZ 4.2Å; E200-F226 HydrophobicContact CG-CB 4.37Å; E200-F226 HydrophobicContact CG-CD1 4.23Å; E200-F226 HydrophobicContact CG-CD2 4.3Å; E200-F226 HydrophobicContact CG-CG 4.03Å; I222-F226 HydrophobicContact CG2-CD2 4.09Å; I222-F226 HydrophobicContact CG2-CE2 4.21Å; F226-A228 HydrophobicContact CE1-CB 4.13Å; F226-A228 VanDerWaalsContact CE1-N 3.26Å; F226-A228 HydrophobicContact CZ-CB 4.48Å
227R74.4Confident82.2Confident161 Ų16154 Ų5461%0.60828%0.278SS*.  trans-138.118.4-172.9-69.3178.7-174.9-142-3.2114.6P225 F229P225-R227 WeakPolarHBondContact O-CG 3.32Å; R227-F229 HydrophobicContact CB-CD1 3.73Å; R227-F229 HydrophobicContact CB-CE1 3.44Å; R227-F229 VanDerWaalsContact CB-CE1 3.44Å; R227-F229 HydrophobicContact CB-CZ 4.08Å; R227-F229 HydrophobicContact CG-CE1 4.32Å; R227-F229 WeakPolarHBondContact O-CD1 3.39Å; R227-F229 PolarHBondContact O-N 3.19Å
228A78.9Confident81.7Confident44 Ų4457.5 Ų57.536%0.36429%0.294SS..SBendtrans57.125.5-175.700000115R197 C198 F226R197-A228 PolarHBondContact N-O 2.77Å; C198-A228 PolarHBondContact N-O 3.05Å; C198-A228 VanDerWaalsContact N-O 3.13Å; C198-A228 VanDerWaalsContact O-CA 3.29Å; C198-A228 WeakPolarHBondContact O-CA 3.13Å; C198-A228 WeakPolarHBondContact O-CB 3.34Å; F226-A228 HydrophobicContact CE1-CB 4.13Å; F226-A228 VanDerWaalsContact CE1-N 3.26Å; F226-A228 HydrophobicContact CZ-CB 4.48Å
229F85.1Confident81.5Confident49 Ų4954.1 Ų54.122%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-147.4154.5171.267-101.7000112.6F194 V195 P223 R227 F231F194-F229 HydrophobicContact CD2-CB 4.32Å; F194-F229 HydrophobicContact CD2-CD2 4.07Å; F194-F229 HydrophobicContact CD2-CG 4.34Å; F194-F229 HydrophobicContact CE1-CB 4.37Å; F194-F229 HydrophobicContact CE2-CB 3.47Å; F194-F229 VanDerWaalsContact CE2-CB 3.47Å; F194-F229 AromaticContact CE2-CD1 3.97Å; F194-F229 HydrophobicContact CE2-CD1 3.97Å; F194-F229 AromaticContact CE2-CD2 3.48Å; F194-F229 HydrophobicContact CE2-CD2 3.48Å; F194-F229 VanDerWaalsContact CE2-CD2 3.48Å; F194-F229 HydrophobicContact CE2-CE2 4.12Å; F194-F229 AromaticContact CE2-CG 3.4Å; F194-F229 HydrophobicContact CE2-CG 3.4Å; F194-F229 HydrophobicContact CZ-CB 3.49Å; F194-F229 VanDerWaalsContact CZ-CB 3.49Å; F194-F229 HydrophobicContact CZ-CD1 4.21Å; F194-F229 HydrophobicContact CZ-CD2 4.35Å; F194-F229 AromaticContact CZ-CG 3.82Å; F194-F229 HydrophobicContact CZ-CG 3.82Å; V195-F229 CarbonylContact O-C 3.5Å; V195-F229 WeakPolarHBondContact O-CA 3.28Å; V195-F229 WeakPolarHBondContact O-CB 3.35Å; P223-F229 WeakPolarHBondContact CD-O 3.28Å; P223-F229 HydrophobicContact CG-CD2 4.17Å; P223-F229 HydrophobicContact CG-CE2 3.68Å; P223-F229 HydrophobicContact CG-CZ 4.37Å; R227-F229 HydrophobicContact CB-CD1 3.73Å; R227-F229 HydrophobicContact CB-CE1 3.44Å; R227-F229 VanDerWaalsContact CB-CE1 3.44Å; R227-F229 HydrophobicContact CB-CZ 4.08Å; R227-F229 HydrophobicContact CG-CE1 4.32Å; R227-F229 WeakPolarHBondContact O-CD1 3.39Å; R227-F229 PolarHBondContact O-N 3.19Å; F229-F231 HydrophobicContact CD2-CE2 4.09Å; F229-F231 HydrophobicContact CD2-CZ 4.46Å; F229-F231 AromaticContact CE2-CE2 3.72Å; F229-F231 HydrophobicContact CE2-CE2 3.72Å; F229-F231 HydrophobicContact CE2-CZ 4.11Å
230A86.8Confident81.3Confident0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-129.6167.5173.400000110.3V195 L207 I222V195-A230 PolarHBondContact N-O 3.23Å; V195-A230 PolarHBondContact O-N 2.7Å; L207-A230 HydrophobicContact CD1-CB 3.63Å; I222-A230 HydrophobicContact CG1-CB 3.94Å
231F88.3Confident80.6Confident26 Ų2652.3 Ų52.311%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-119.1136.2165.8-63.6-86.1000109.9K192 V193 F194 V220 F221 P223 F229 A260K192-F231 HydrophobicContact CD-CB 3.96Å; K192-F231 HydrophobicContact CD-CD1 4.19Å; K192-F231 HydrophobicContact CD-CG 4.3Å; K192-F231 HydrophobicContact CG-CB 4.04Å; K192-F231 HydrophobicContact CG-CD1 4.3Å; V193-F231 WeakPolarHBondContact O-CA 3.4Å; F194-F231 HydrophobicContact CB-CD1 4.25Å; F194-F231 HydrophobicContact CB-CE1 4.16Å; F194-F231 HydrophobicContact CD2-CD1 4.39Å; F194-F231 AromaticContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CE1 3.82Å; F194-F231 HydrophobicContact CD2-CZ 4.09Å; F194-F231 HydrophobicContact CG-CE1 4.5Å; V220-F231 WeakPolarHBondContact CA-O 3.17Å; F221-F231 HydrophobicContact CD1-CD2 4.08Å; F221-F231 PolarHBondContact N-O 2.74Å; F221-F231 PolarHBondContact O-N 3.35Å; P223-F231 HydrophobicContact CG-CE2 4.43Å; F229-F231 HydrophobicContact CD2-CE2 4.09Å; F229-F231 HydrophobicContact CD2-CZ 4.46Å; F229-F231 AromaticContact CE2-CE2 3.72Å; F229-F231 HydrophobicContact CE2-CE2 3.72Å; F229-F231 HydrophobicContact CE2-CZ 4.11Å; F231-A260 HydrophobicContact CD1-CB 3.75Å; F231-A260 HydrophobicContact CE1-CB 3.93Å
232V87.3Confident80.3Confident0 Ų051.3 Ų51.30%027%0.267CS..EExtended strand (participates in β ladder)trans-120.7133.7176.8178.10000108.3K192 V193 V195 F211 V217 V220 F234K192-V232 CarbonylContact C-O 3.56Å; K192-V232 VanDerWaalsContact CA-O 3.28Å; K192-V232 WeakPolarHBondContact CA-O 3.47Å; V193-V232 HydrophobicContact CG2-CB 3.89Å; V193-V232 PolarHBondContact N-O 3.48Å; V193-V232 PolarHBondContact O-N 2.99Å; V195-V232 HydrophobicContact CG2-CB 4.42Å; V195-V232 HydrophobicContact CG2-CG2 3.86Å; F211-V232 HydrophobicContact CB-CG1 4.21Å; F211-V232 HydrophobicContact CD2-CB 4.38Å; F211-V232 HydrophobicContact CD2-CG1 4.08Å; F211-V232 HydrophobicContact CD2-CG2 3.74Å; F211-V232 HydrophobicContact CE2-CG2 3.9Å; F211-V232 HydrophobicContact CG-CG1 4.2Å; V217-V232 HydrophobicContact CG1-CG1 3.8Å; V217-V232 HydrophobicContact CG2-CG1 4.27Å; V220-V232 HydrophobicContact CG1-CG2 4.29Å; V220-V232 HydrophobicContact CG2-CG1 4.31Å; V220-V232 HydrophobicContact CG2-CG2 4.23Å; V232-F234 HydrophobicContact CG1-CD2 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.98Å; V232-F234 HydrophobicContact CG1-CZ 4.01Å
233T83.8Confident79.9Confident23 Ų2349.7 Ų49.714%0.14126%0.259CS..EExtended strand (participates in β ladder)trans-115.3117.5-179.2-360000109.2R191 K192 V218 D219R191-T233 HydrophobicContact CB-CG2 4.47Å; R191-T233 WeakPolarHBondContact O-CA 3.37Å; K192-T233 HydrophobicContact CB-CG2 4.28Å; K192-T233 VanDerWaalsContact CE-OG1 3.32Å; K192-T233 WeakPolarHBondContact CE-OG1 3.45Å; K192-T233 PolarHBondContact NZ-OG1 3.15Å; V218-T233 PolarHBondContact N-O 2.93Å; D219-T233 PolarHBondContact N-O 2.82Å; D219-T233 PolarHBondContact O-N 3.27Å; D219-T233 PolarHBondContact O-OG1 3.37Å; D219-T233 PolarHBondContact OD2-OG1 3.38Å
234F85.5Confident79.5Confident3 Ų350.8 Ų50.81%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-88.5159.5174.9-66.3-82.4000111.3R191 V193 F211 E216 V217 V232 D236 V239 A240 L243R191-F234 PolarHBondContact O-N 3.37Å; V193-F234 HydrophobicContact CG1-CE2 4.29Å; V193-F234 HydrophobicContact CG2-CE2 3.88Å; F211-F234 HydrophobicContact CB-CE1 3.96Å; F211-F234 HydrophobicContact CB-CZ 3.87Å; F211-F234 AromaticContact CD1-CZ 3.77Å; F211-F234 HydrophobicContact CD1-CZ 3.77Å; F211-F234 HydrophobicContact CG-CZ 4Å; E216-F234 CarbonylContact O-C 3.52Å; E216-F234 VanDerWaalsContact O-CA 3.3Å; E216-F234 WeakPolarHBondContact O-CA 3.35Å; V217-F234 HydrophobicContact CG2-CD1 4.03Å; V217-F234 HydrophobicContact CG2-CE1 3.76Å; V232-F234 HydrophobicContact CG1-CD2 4.46Å; V232-F234 HydrophobicContact CG1-CE2 3.98Å; V232-F234 HydrophobicContact CG1-CZ 4.01Å; F234-D236 VanDerWaalsContact C-N 3.33Å; F234-D236 WeakPolarHBondContact CB-O 3.34Å; F234-V239 HydrophobicContact CD1-CB 4.42Å; F234-V239 HydrophobicContact CD1-CG1 3.75Å; F234-V239 HydrophobicContact CE1-CG1 3.77Å; F234-V239 HydrophobicContact CG-CB 4.46Å; F234-V239 HydrophobicContact CG-CG1 4.13Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; F234-A240 HydrophobicContact CD2-CB 4.01Å; F234-L243 HydrophobicContact CE1-CD1 4.23Å; F234-L243 HydrophobicContact CE2-CD1 3.89Å; F234-L243 HydrophobicContact CZ-CD1 3.47Å; F234-L243 VanDerWaalsContact CZ-CD1 3.47Å
235A77.7Confident78.7Confident36 Ų3644.3 Ų44.330%0.29826%0.256SS..SBendtrans-68.9-36.3168.800000111.4R191 E216 V218R191-A235 WeakPolarHBondContact CD-O 3.46Å; R191-A235 PolarHBondContact NE-O 2.7Å; R191-A235 PolarHBondContact NH1-O 3.02Å; E216-A235 HydrophobicContact CB-CB 3.95Å; E216-A235 HydrophobicContact CG-CB 4.19Å; E216-A235 PolarHBondContact O-N 3.37Å; V218-A235 HydrophobicContact CG2-CB 3.86Å
236D74Confident77.8Confident60 Ų6044.6 Ų44.632%0.32125%0.249SC..  trans-105.2135.3-178.6-163.8-18000111.5F234 Q238 V239F234-D236 VanDerWaalsContact C-N 3.33Å; F234-D236 WeakPolarHBondContact CB-O 3.34Å; D236-Q238 VanDerWaalsContact C-N 3.35Å; D236-Q238 WeakPolarHBondContact OD1-CB 3.36Å; D236-Q238 WeakPolarHBondContact OD1-CG 3.16Å; D236-Q238 PolarHBondContact OD1-N 2.7Å; D236-V239 HydrophobicContact CB-CG2 4.26Å
237D74.4Confident77.4Confident24 Ų2445.3 Ų45.313%0.12826%0.256CS..Hα-helixtrans-75.5-22.6172.843.6-90.1000112.9R191 A240 Q241R191-D237 HydrophobicContact CG-CB 3.66Å; R191-D237 IonicContact CZ-OD1 2.7Å; R191-D237 IonicContact NE-OD1 3.97Å; R191-D237 PolarHBondContact NE-OD1 3.02Å; R191-D237 IonicContact NH2-OD1 2.75Å; R191-D237 PolarHBondContact NH2-OD1 3.11Å; R191-D237 VanDerWaalsContact NH2-OD1 3.08Å; D237-A240 PolarHBondContact O-N 3.25Å; D237-Q241 WeakPolarHBondContact O-CG 3.39Å; D237-Q241 PolarHBondContact O-N 3.32Å
238Q75.6Confident77.4Confident83 Ų8338.1 Ų38.139%0.38823%0.229SC..Hα-helixtrans-68.5-38.2178.4-59.9-57.4-83.100112D236 Q241 S242D236-Q238 VanDerWaalsContact C-N 3.35Å; D236-Q238 WeakPolarHBondContact OD1-CB 3.36Å; D236-Q238 WeakPolarHBondContact OD1-CG 3.16Å; D236-Q238 PolarHBondContact OD1-N 2.7Å; Q238-Q241 VanDerWaalsContact NE2-OE1 3.1Å; Q238-Q241 PolarHBondContact O-N 3.22Å; Q238-S242 PolarHBondContact O-N 3.31Å; Q238-S242 PolarHBondContact O-OG 2.87Å
239V78.5Confident77.2Confident23 Ų2341.4 Ų41.414%0.13924%0.24CC..Hα-helixtrans-66.9-41.7172.91780000110.9Y214 F234 D236 Q241 S242 L243Y214-V239 WeakPolarHBondContact O-CG1 3.41Å; F234-V239 HydrophobicContact CD1-CB 4.42Å; F234-V239 HydrophobicContact CD1-CG1 3.75Å; F234-V239 HydrophobicContact CE1-CG1 3.77Å; F234-V239 HydrophobicContact CG-CB 4.46Å; F234-V239 HydrophobicContact CG-CG1 4.13Å; F234-V239 HydrophobicContact CZ-CG1 4.18Å; D236-V239 HydrophobicContact CB-CG2 4.26Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 2.84Å; V239-S242 WeakPolarHBondContact CA-OG 3.36Å; V239-S242 PolarHBondContact O-N 3.38Å; V239-S242 PolarHBondContact O-OG 3.24Å; V239-S242 VanDerWaalsContact O-OG 3.11Å; V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.44Å; V239-L243 WeakPolarHBondContact O-CG 3.43Å; V239-L243 PolarHBondContact O-N 2.97Å
240A75.5Confident76.8Confident1 Ų139.3 Ų39.31%0.00823%0.231CC..Hα-helixtrans-63.3-32.1175.400000112.7S190 V193 F234 D237S190-A240 WeakPolarHBondContact O-CB 3.4Å; V193-A240 HydrophobicContact CG1-CB 3.78Å; V193-A240 WeakPolarHBondContact CG1-O 3.43Å; F234-A240 HydrophobicContact CD2-CB 4.01Å; D237-A240 PolarHBondContact O-N 3.25Å
241Q73Confident75.9Confident50 Ų5045.2 Ų45.223%0.23426%0.256CS..Hα-helixtrans-75.9-42.8172.8-74.5-170-58.300112.7P187 R189 D237 Q238 V239 L243 C244P187-Q241 PolarHBondContact O-NE2 2.89Å; R189-Q241 HydrophobicContact CG-CG 4.44Å; R189-Q241 VanDerWaalsContact CG-NE2 3.31Å; D237-Q241 WeakPolarHBondContact O-CG 3.39Å; D237-Q241 PolarHBondContact O-N 3.32Å; Q238-Q241 VanDerWaalsContact NE2-OE1 3.1Å; Q238-Q241 PolarHBondContact O-N 3.22Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 2.84Å; Q241-L243 VanDerWaalsContact C-N 3.3Å; Q241-L243 PolarHBondContact O-N 3.38Å; Q241-C244 WeakPolarHBondContact O-CB 3.26Å; Q241-C244 PolarHBondContact O-N 3.1Å; Q241-C244 VanDerWaalsContact O-N 3.15Å
242S77.3Confident74.8Confident85 Ų8547.2 Ų47.259%0.59428%0.284SS*.Hα-helixtrans-67.4-29.1-176.661.10000113.7Q238 V239 C244Q238-S242 PolarHBondContact O-N 3.31Å; Q238-S242 PolarHBondContact O-OG 2.87Å; V239-S242 WeakPolarHBondContact CA-OG 3.36Å; V239-S242 PolarHBondContact O-N 3.38Å; V239-S242 PolarHBondContact O-OG 3.24Å; V239-S242 VanDerWaalsContact O-OG 3.11Å; S242-C244 VanDerWaalsContact C-N 3.35Å
243L76.6Confident74.1Confident4 Ų449.9 Ų49.92%0.02130%0.298CS..THydrogen-bonded Turntrans-84.8-7176.2-60.4172.1000113.2F211 Y214 F234 V239 Q241 L248 I257F211-L243 HydrophobicContact CD1-CD1 4.13Å; F211-L243 HydrophobicContact CE1-CD1 4.35Å; Y214-L243 HydrophobicContact CD1-CD2 3.7Å; Y214-L243 HydrophobicContact CD2-CD1 4.4Å; Y214-L243 HydrophobicContact CD2-CD2 4.17Å; Y214-L243 HydrophobicContact CE1-CD2 4.03Å; Y214-L243 HydrophobicContact CE2-CD2 4.48Å; Y214-L243 HydrophobicContact CG-CD1 4.21Å; Y214-L243 HydrophobicContact CG-CD2 3.77Å; F234-L243 HydrophobicContact CE1-CD1 4.23Å; F234-L243 HydrophobicContact CE2-CD1 3.89Å; F234-L243 HydrophobicContact CZ-CD1 3.47Å; F234-L243 VanDerWaalsContact CZ-CD1 3.47Å; V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.44Å; V239-L243 WeakPolarHBondContact O-CG 3.43Å; V239-L243 PolarHBondContact O-N 2.97Å; Q241-L243 VanDerWaalsContact C-N 3.3Å; Q241-L243 PolarHBondContact O-N 3.38Å; L243-L248 HydrophobicContact CD2-CD1 4.28Å; L243-I257 HydrophobicContact CB-CD1 4.21Å; L243-I257 HydrophobicContact CB-CG2 4.39Å; L243-I257 VanDerWaalsContact O-CB 3.26Å; L243-I257 WeakPolarHBondContact O-CB 3.47Å; L243-I257 VanDerWaalsContact O-CG2 3.27Å; L243-I257 WeakPolarHBondContact O-CG2 3.43Å
244C72.6Confident73.5Confident40 Ų4051 Ų5127%0.2731%0.307SS..THydrogen-bonded Turntrans-82.2124.6-173.6-179.80000111.7Q241 S242 N259Q241-C244 WeakPolarHBondContact O-CB 3.26Å; Q241-C244 PolarHBondContact O-N 3.1Å; Q241-C244 VanDerWaalsContact O-N 3.15Å; S242-C244 VanDerWaalsContact C-N 3.35Å; C244-N259 PolarHBondContact SG-N 3.24Å; C244-N259 PolarHBondContact SG-OD1 3.33Å
245G65.6Low73.3Confident62 Ų6250.8 Ų50.864%0.63931%0.306SS*.THydrogen-bonded Turntrans90.13.9-175.200000114I257G245-I257 PolarHBondContact N-O 3.11Å
246E62.5Low73.2Confident101 Ų10152.2 Ų52.247%0.47231%0.306SS..  trans-98.5136.7174.3-158.7171.6-159.900110.9L248 I257E246-L248 HydrophobicContact CB-CD2 4.38Å; E246-L248 HydrophobicContact CG-CD2 3.91Å; E246-I257 PolarHBondContact O-N 2.97Å
247D73Confident73.6Confident77 Ų7749.3 Ų49.341%0.41229%0.291SS..EExtended strand (participates in β ladder)trans-90.3100.5171.6-91.8-22.7000108.6R197 V255 H256R197-D247 IonicContact CZ-OD1 3.52Å; R197-D247 IonicContact CZ-OD2 3.71Å; R197-D247 IonicContact NH1-OD1 2.86Å; R197-D247 PolarHBondContact NH1-OD1 2.9Å; R197-D247 IonicContact NH1-OD2 2.87Å; R197-D247 PolarHBondContact NH1-OD2 3.42Å; R197-D247 IonicContact NH2-OD1 3.65Å; R197-D247 IonicContact NH2-OD2 3.58Å; D247-V255 CarbonylContact C-O 3.51Å; D247-V255 WeakPolarHBondContact CA-O 3.4Å; D247-H256 WeakPolarHBondContact OD1-CA 3.27Å; D247-H256 WeakPolarHBondContact OD1-CB 3.45Å; D247-H256 IonicContact OD1-CD2 3.29Å; D247-H256 PolarHBondContact OD1-CD2 3.12Å; D247-H256 VanDerWaalsContact OD1-CD2 3.29Å; D247-H256 IonicContact OD1-CG 3.58Å
248L73.1Confident73.6Confident9 Ų949.9 Ų49.95%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-87.2155.5178.1-60.1-170.2000111.7F210 F211 Y214 L243 E246 S254 V255 I257F210-L248 HydrophobicContact CE1-CB 4.28Å; F210-L248 HydrophobicContact CE1-CD1 3.82Å; F210-L248 HydrophobicContact CZ-CB 4.45Å; F210-L248 HydrophobicContact CZ-CD1 4.46Å; F211-L248 HydrophobicContact CE1-CD1 3.8Å; F211-L248 HydrophobicContact CZ-CD1 4.47Å; Y214-L248 HydrophobicContact CE2-CD1 3.87Å; L243-L248 HydrophobicContact CD2-CD1 4.28Å; E246-L248 HydrophobicContact CB-CD2 4.38Å; E246-L248 HydrophobicContact CG-CD2 3.91Å; L248-S254 CarbonylContact O-C 3.6Å; L248-S254 WeakPolarHBondContact O-CA 3.3Å; L248-V255 HydrophobicContact CB-CG2 4.17Å; L248-V255 PolarHBondContact N-O 2.85Å; L248-V255 PolarHBondContact O-N 2.85Å; L248-I257 HydrophobicContact CB-CD1 4.47Å; L248-I257 HydrophobicContact CD1-CD1 3.47Å; L248-I257 VanDerWaalsContact CD1-CD1 3.47Å; L248-I257 HydrophobicContact CG-CD1 3.74Å
249I76.3Confident73.8Confident114 Ų11448.2 Ų48.259%0.58529%0.29SS*.EExtended strand (participates in β ladder)trans-110.3111178.9-56.8179000110.1I253I249-I253 CarbonylContact C-O 3.44Å; I249-I253 WeakPolarHBondContact CA-O 3.38Å
250I75.5Confident73.4Confident5 Ų547.3 Ų47.33%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-110.5122.4177.4-58.4-175.8000108.4M202 L207 F210 F211 G252 I253 V255M202-I250 HydrophobicContact CE-CB 3.96Å; M202-I250 HydrophobicContact CE-CG2 4.08Å; M202-I250 HydrophobicContact SD-CG2 4.38Å; L207-I250 HydrophobicContact CD2-CD1 3.68Å; F210-I250 HydrophobicContact CD1-CD1 3.51Å; F210-I250 HydrophobicContact CD1-CG1 3.64Å; F210-I250 HydrophobicContact CD2-CG1 4.12Å; F210-I250 HydrophobicContact CE1-CD1 3.81Å; F210-I250 HydrophobicContact CE1-CG1 3.57Å; F210-I250 HydrophobicContact CE2-CG1 4.05Å; F210-I250 HydrophobicContact CG-CD1 3.99Å; F210-I250 HydrophobicContact CG-CG1 3.92Å; F210-I250 HydrophobicContact CZ-CG1 3.78Å; F211-I250 HydrophobicContact CE2-CD1 4.17Å; F211-I250 HydrophobicContact CZ-CD1 4.3Å; I250-G252 PolarHBondContact O-N 2.8Å; I250-I253 PolarHBondContact N-O 3.14Å; I250-I253 WeakPolarHBondContact O-CB 3.42Å; I250-I253 PolarHBondContact O-N 3.06Å; I250-V255 HydrophobicContact CD1-CG2 3.7Å; I250-V255 HydrophobicContact CG1-CG2 3.88Å
251K68.9Low73.1Confident123 Ų12355.4 Ų55.454%0.53532%0.323SS..THydrogen-bonded Turntrans52.630.1179.5-66.1165.759.7173.10113.7D201 E206D201-K251 PolarHBondContact O-NZ 2.88Å; E206-K251 IonicContact OE1-NZ 3.23Å; E206-K251 PolarHBondContact OE1-NZ 2.89Å; E206-K251 IonicContact OE2-NZ 2.84Å; E206-K251 PolarHBondContact OE2-NZ 3.4Å
252G65.2Low72.3Confident68 Ų6857.8 Ų57.870%0.70134%0.343SS*.THydrogen-bonded Turntrans86.90.9-177.200000115.5I250I250-G252 PolarHBondContact O-N 2.8Å
253I72.7Confident71.2Confident56 Ų5662.6 Ų62.629%0.28735%0.353SS..EExtended strand (participates in β ladder)trans-107.4129.4-177.8-62.9152.4000109.3T199 M202 I249 I250 V255T199-I253 HydrophobicContact CG2-CD1 3.76Å; T199-I253 HydrophobicContact CG2-CG1 4.49Å; T199-I253 HydrophobicContact CG2-CG2 4.31Å; M202-I253 HydrophobicContact CE-CB 3.67Å; M202-I253 HydrophobicContact CE-CD1 3.76Å; M202-I253 HydrophobicContact CE-CG1 4.34Å; M202-I253 HydrophobicContact CE-CG2 3.78Å; I249-I253 CarbonylContact C-O 3.44Å; I249-I253 WeakPolarHBondContact CA-O 3.38Å; I250-I253 PolarHBondContact N-O 3.14Å; I250-I253 WeakPolarHBondContact O-CB 3.42Å; I250-I253 PolarHBondContact O-N 3.06Å; I253-V255 PolarHBondContact O-N 2.95Å
254S70.6Confident69.7Low46 Ų4670.3 Ų70.332%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-75.2115.6174.2170.90000110.9R197 L248R197-S254 WeakPolarHBondContact CB-O 3.31Å; R197-S254 PolarHBondContact NH1-OG 3.29Å; L248-S254 CarbonylContact O-C 3.6Å; L248-S254 WeakPolarHBondContact O-CA 3.3Å
255V81.1Confident67.9Low0 Ų074 Ų740%041%0.406CS..EExtended strand (participates in β ladder)trans-104.7136.9171.4-60.10000110.2V195 G196 M202 D247 L248 I250 I253V195-V255 HydrophobicContact CG1-CB 3.83Å; V195-V255 HydrophobicContact CG1-CG1 4.44Å; V195-V255 HydrophobicContact CG1-CG2 3.9Å; G196-V255 CarbonylContact O-C 3.56Å; G196-V255 VanDerWaalsContact O-CA 3.3Å; G196-V255 WeakPolarHBondContact O-CA 3.4Å; G196-V255 WeakPolarHBondContact O-CB 3.16Å; M202-V255 HydrophobicContact CE-CG1 3.86Å; M202-V255 HydrophobicContact SD-CG1 3.99Å; D247-V255 CarbonylContact C-O 3.51Å; D247-V255 WeakPolarHBondContact CA-O 3.4Å; L248-V255 HydrophobicContact CB-CG2 4.17Å; L248-V255 PolarHBondContact N-O 2.85Å; L248-V255 PolarHBondContact O-N 2.85Å; I250-V255 HydrophobicContact CD1-CG2 3.7Å; I250-V255 HydrophobicContact CG1-CG2 3.88Å; I253-V255 PolarHBondContact O-N 2.95Å
256H75.9Confident66.7Low65 Ų6575 Ų7530%0.30140%0.403SS..EExtended strand (participates in β ladder)trans-100.5124.9-177.3176-80.9000110.8G196 R197 D247G196-H256 PolarHBondContact N-O 2.91Å; G196-H256 PolarHBondContact O-N 2.82Å; R197-H256 HydrophobicContact CG-CB 4.42Å; D247-H256 WeakPolarHBondContact OD1-CA 3.27Å; D247-H256 WeakPolarHBondContact OD1-CB 3.45Å; D247-H256 IonicContact OD1-CD2 3.29Å; D247-H256 PolarHBondContact OD1-CD2 3.12Å; D247-H256 VanDerWaalsContact OD1-CD2 3.29Å; D247-H256 IonicContact OD1-CG 3.58Å
257I81.8Confident65.6Low0 Ų076.8 Ų76.80%042%0.416CS..EExtended strand (participates in β ladder)trans-102.7131.6-178.1-55.1179.5000111V193 F194 F211 L243 G245 E246 L248V193-I257 HydrophobicContact CB-CG2 3.81Å; V193-I257 HydrophobicContact CG1-CG2 4.14Å; V193-I257 HydrophobicContact CG2-CG2 4.07Å; F194-I257 WeakPolarHBondContact O-CA 3.18Å; F211-I257 HydrophobicContact CE1-CD1 3.5Å; F211-I257 HydrophobicContact CZ-CD1 3.68Å; F211-I257 HydrophobicContact CZ-CG1 4.44Å; L243-I257 HydrophobicContact CB-CD1 4.21Å; L243-I257 HydrophobicContact CB-CG2 4.39Å; L243-I257 VanDerWaalsContact O-CB 3.26Å; L243-I257 WeakPolarHBondContact O-CB 3.47Å; L243-I257 VanDerWaalsContact O-CG2 3.27Å; L243-I257 WeakPolarHBondContact O-CG2 3.43Å; G245-I257 PolarHBondContact N-O 3.11Å; E246-I257 PolarHBondContact O-N 2.97Å; L248-I257 HydrophobicContact CB-CD1 4.47Å; L248-I257 HydrophobicContact CD1-CD1 3.47Å; L248-I257 VanDerWaalsContact CD1-CD1 3.47Å; L248-I257 HydrophobicContact CG-CD1 3.74Å
258S75.5Confident64.3Low36 Ų3684 Ų8425%0.25244%0.437SS..EExtended strand (participates in β ladder)trans-135.4168.8172.371.20000111.8V193 F194 A260V193-S258 WeakPolarHBondContact CA-O 3.18Å; F194-S258 WeakPolarHBondContact CD1-OG 3.2Å; F194-S258 PolarHBondContact N-O 2.94Å; F194-S258 PolarHBondContact O-N 3.4Å; S258-A260 PolarHBondContact O-N 3.24Å
259N78.8Confident62.8Low47 Ų4791.9 Ų91.925%0.25147%0.474SS..EExtended strand (participates in β ladder)trans-53.2136.9165.5-58.997.7000109.2L188 C244 E261L188-N259 PolarHBondContact O-ND2 3.11Å; C244-N259 PolarHBondContact SG-N 3.24Å; C244-N259 PolarHBondContact SG-OD1 3.33Å; N259-E261 PolarHBondContact O-N 3.31Å
260A69.9Low61.3Low5 Ų594.1 Ų94.14%0.04149%0.487CS..PPolyproline II helixtrans-77.6116.6169.900000109.3K192 F194 F231 S258 P262K192-A260 HydrophobicContact CB-CB 4Å; K192-A260 HydrophobicContact CD-CB 4.35Å; K192-A260 HydrophobicContact CG-CB 3.85Å; K192-A260 WeakPolarHBondContact O-CB 3.39Å; K192-A260 PolarHBondContact O-N 3.35Å; F194-A260 HydrophobicContact CB-CB 4.41Å; F231-A260 HydrophobicContact CD1-CB 3.75Å; F231-A260 HydrophobicContact CE1-CB 3.93Å; S258-A260 PolarHBondContact O-N 3.24Å; A260-P262 WeakPolarHBondContact O-CD 3.46Å
261E69.6Low59.5Low171 Ų171103.2 Ų103.280%0.79953%0.529SS*.PPolyproline II helixtrans-57.5124168.2-67.3-167.8152.900109.6N259 K263N259-E261 PolarHBondContact O-N 3.31Å; E261-K263 PolarHBondContact O-N 2.85Å
262P56Low58.3Low100 Ų100109.3 Ų109.365%0.64955%0.549SS*.  trans-68.8105.7176.427.4-32.4000108.1L188 A260 H264L188-P262 HydrophobicContact CD2-CG 4.18Å; A260-P262 WeakPolarHBondContact O-CD 3.46Å; P262-H264 PolarHBondContact O-N 3.2Å
263K55.3Low57.2Low186 Ų186110 Ų11081%0.80956%0.556SS**  trans-44.3110.4175.6-92.9-171.5174.5-179.30109.9E261 N265E261-K263 PolarHBondContact O-N 2.85Å; K263-N265 PolarHBondContact O-N 2.95Å; K263-N265 VanDerWaalsContact O-N 3.12Å
264H43.5Very low55.5Low165 Ų165110.9 Ų110.976%0.76458%0.579SS**  trans-58.7121.1173.3-16889.5000107.7P262 S266P262-H264 PolarHBondContact O-N 3.2Å; H264-S266 PolarHBondContact O-N 3.19Å; H264-S266 PolarHBondContact O-OG 3.13Å
265N35.1Very low54.1Low117 Ų117120.5 Ų120.563%0.62661%0.608SS**  trans-78.779-177-171.5-1.4000109.7K263 N267 R268K263-N265 PolarHBondContact O-N 2.95Å; K263-N265 VanDerWaalsContact O-N 3.12Å; N265-N267 PolarHBondContact O-N 3.36Å; N265-N267 VanDerWaalsContact OD1-CB 3.28Å; N265-N267 WeakPolarHBondContact OD1-CB 3.29Å; N265-N267 PolarHBondContact OD1-N 2.87Å; N265-R268 PolarHBondContact O-N 3.31Å
266S40.8Very low51.9Low85 Ų85130.7 Ų130.759%0.59465%0.652SS**G310 helixtrans-59.1-11.4179.7-51.40000113.5H264 R268 Q269H264-S266 PolarHBondContact O-N 3.19Å; H264-S266 PolarHBondContact O-OG 3.13Å; S266-R268 PolarHBondContact O-N 3.29Å; S266-Q269 PolarHBondContact O-N 2.86Å; S266-Q269 VanDerWaalsContact O-N 3.14Å
267N40.1Very low50.1Low138 Ų138131.4 Ų131.474%0.73868%0.678SS**G310 helixtrans-72.220.2176.1-151.243.1000114.3N265N265-N267 PolarHBondContact O-N 3.36Å; N265-N267 VanDerWaalsContact OD1-CB 3.28Å; N265-N267 WeakPolarHBondContact OD1-CB 3.29Å; N265-N267 PolarHBondContact OD1-N 2.87Å
268R45.7Very low47.8Very low227 Ų227135 Ų13586%0.85772%0.715SS**G310 helixtrans-111.611.9164.2-101.1-162.7-70.6-173.2-3.2114.3N265 S266N265-R268 PolarHBondContact O-N 3.31Å; S266-R268 PolarHBondContact O-N 3.29Å
269Q41.6Very low45.8Very low176 Ų176140.8 Ų140.882%0.82274%0.743SS**SBendtrans-103.830.3174.9-152.9176.27.200114.1S266S266-Q269 PolarHBondContact O-N 2.86Å; S266-Q269 VanDerWaalsContact O-N 3.14Å
270L43Very low44.5Very low161 Ų161144 Ų14484%0.84377%0.766SS**SBendtrans-130.57.8172.7-146.371.1000115.5
271E39.6Very low42.7Very low196 Ų196147.9 Ų147.992%0.91681%0.807SS**SBendtrans-124.237.3174.3-68.9-157.7117.600113.3
272R42.1Very low40.8Very low251 Ų251142.5 Ų142.595%0.94780%0.797SS**SBendtrans-134.145.8170.6-150.4-176.6-175.3-152.3-1.4114.1
273G41.9Very low39.7Very low83 Ų83147.6 Ų147.686%0.85681%0.809SS**SBendtrans-154.662.9174.500000111.8
274G37.8Very low38.8Very low74 Ų74142.4 Ų142.476%0.76381%0.808SS**  trans-165.522.2-16800000118.8
275R40.8Very low38.4Very low247 Ų247141.4 Ų141.493%0.93281%0.809SS**  trans-143.476.3166-73-160.5-176.6-136.3-1.5113.2
276F36.2Very low38.4Very low214 Ų214144.7 Ų144.794%0.93982%0.82SS**  trans-119.7132.6139.5-109.9-95.7000106.7
277G36.6Very low37.9Very low81 Ų81144.1 Ų144.184%0.83583%0.828SS**  trans-80.3146.5175.300000110.8
278G33.6Very low37.5Very low75 Ų75141.2 Ų141.277%0.77383%0.83SS**  trans-160.129.7-166.300000117.9
279N32.9Very low36.9Very low158 Ų158141 Ų14185%0.84584%0.836SS**  trans68.9149.2170.1-153.363000116.8
280P51.8Low36.4Very low115 Ų115136.1 Ų136.175%0.74783%0.833SS**  trans-98.3146.9179.536.3-31.3000113.1
281G32.2Very low35.9Very low86 Ų86135.7 Ų135.789%0.88783%0.832SS**  trans147.7132161.400000115
282G30.9Very low35.6Very low57 Ų57130.8 Ų130.859%0.58882%0.819SS**  trans123.8125.8154.100000117.6
283F32.5Very low35.2Very low208 Ų208130.7 Ų130.791%0.91282%0.819SS**  trans65.482.1140.1-46.8-65.6000119.1
284G36.6Very low34.7Very low77 Ų77130.6 Ų130.679%0.79482%0.818SS**  trans-78.2136.2130.800000110.3
285N33.9Very low34.4Very low144 Ų144131 Ų13177%0.7782%0.822SS**  trans-168.4130.2163.9-128.133.2000104.8
286Q35.3Very low34Very low185 Ų185123.2 Ų123.286%0.86482%0.818SS**  cis66.887.721-161.9164.41000115.9
287G31.6Very low33.8Very low74 Ų74117.1 Ų117.176%0.76382%0.816SS**  trans85140.5159.800000115.8
288G31.3Very low33.5Very low76 Ų76116.6 Ų116.678%0.78481%0.811SS**  trans164.2100.6176.500000113.3
289F31.7Very low33.4Very low222 Ų222122 Ų12297%0.97482%0.821SS**  trans-67.3161.7174-63.2-105.1000112.5
290G31.3Very low33.4Very low74 Ų74118 Ų11876%0.76382%0.817SS**  trans132.985.7135.400000120.1
291N32.4Very low32.6Very low153 Ų153119.6 Ų119.682%0.81882%0.819SS**  trans43.3122.1131.8-95.215.2000124
292S33.2Very low32.6Very low93 Ų93122.3 Ų122.365%0.6581%0.813SS**  92.9145.3122.9-57.70000121.8
293R33.6Very low32.7Very low248 Ų248128 Ų12894%0.93682%0.824SS**  trans71.7124.4173.6-53.2174.3-175.8172.21.1113.4
294G32.7Very low32.6Very low81 Ų81121.2 Ų121.284%0.83581%0.813SS**  cis84.5127.56.600000113
295G31.7Very low32.6Very low83 Ų83123.3 Ų123.386%0.85682%0.816SS**  cis164163.5-6.600000112.5
296G31.9Very low32.5Very low83 Ų83123.6 Ų123.686%0.85682%0.817SS**  trans91.4150.5165.600000118.2
297G31.7Very low32.4Very low86 Ų86123.1 Ų123.189%0.88782%0.817SS**  trans81.5132.1168.100000116.4
298G29.7Very low32.4Very low70 Ų70123.2 Ų123.272%0.72282%0.819SS**  cis116.5141.9-800000114.5
299L32.8Very low32.3Very low190 Ų190123.8 Ų123.8100%0.99582%0.824SS**  trans72.5149.5-174.1-47.8163.2000112.7
300G32.4Very low32.2Very low73 Ų73116.4 Ų116.475%0.75381%0.811SS**  cis132152.710.200000109.3
301N34.3Very low32.3Very low149 Ų149122.3 Ų122.380%0.79782%0.821SS**  cis-169.8142.80.1-171.530.9000109.9
302N32.5Very low32.3Very low143 Ų143121.8 Ų121.877%0.76582%0.818SS**  trans-179.4131.3159-108.4-10.5000109.2
303Q33.3Very low32.2Very low176 Ų176127.4 Ų127.482%0.82283%0.831SS**  cis112.3130.117.1-169.9179.9112.500112.1
304G31.3Very low32.1Very low66 Ų66118.7 Ų118.768%0.6882%0.818SS**  trans111.993.9-176.300000112.3
305S35.3Very low31.9Very low121 Ų121118.9 Ų118.985%0.84681%0.812SS**  78.2108.556.9-55.60000114.5
306N33Very low31.9Very low150 Ų150123.8 Ų123.880%0.80281%0.81SS**  -177.5173.299.5-154.410.8000114
307M31.8Very low32.1Very low174 Ų174125.4 Ų125.486%0.85781%0.808SS**  trans-58.4166178.1-59.8163.6-177.800115.8
308G32.2Very low32.6Very low77 Ų77127.4 Ų127.479%0.79480%0.797SS**  cis147.4160.1-7.500000115.1
309G29.2Very low32.9Very low87 Ų87131.7 Ų131.790%0.89780%0.804SS**  trans87.4143.3174.300000115.6
310G30.8Very low33.6Very low68 Ų68128 Ų12870%0.70179%0.792SS**  cis176.1172.5-5.100000112.2
311M32.6Very low34Very low197 Ų197129.5 Ų129.597%0.9780%0.796SS**  trans68.6111180-48.8173.1-169.400114.3
312N33.2Very low34.6Very low143 Ų143131.3 Ų131.377%0.76580%0.802SS**  cis81.598.815.1-169.140000118.8
313F30.8Very low35.4Very low211 Ų211133.7 Ų133.793%0.92581%0.811SS**  trans-168.6137.9134.3-106.5-84.4000104
314G30.7Very low35.9Very low64 Ų64130.3 Ų130.366%0.6681%0.813SS**  cis134132.618.500000106.2
315A28.7Very low36.4Very low85 Ų85132.1 Ų132.170%0.70282%0.822SS**  cis-155.71417.900000112.2
316F31.8Very low36.8Very low187 Ų187131.1 Ų131.182%0.8282%0.821SS**  trans35.8151.1140-53.3-64000122.6
317S35.5Very low37.1Very low117 Ų117133.4 Ų133.482%0.81883%0.827SS**  cis-138.9174.122-158.50000114.8
318I42.6Very low37.5Very low127 Ų127130.1 Ų130.165%0.65183%0.827SS**  trans-121.1155.2-162.2-69.1157.6000111.3P320I318-P320 HydrophobicContact CG2-CB 4.12Å
319N36.7Very low37.9Very low160 Ų160130.9 Ų130.986%0.85683%0.826SS**  trans-132.9135.7149.6-130.6-9.7000109.7
320P47.2Very low38.2Very low114 Ų114134.5 Ų134.574%0.7482%0.824SS**  trans-115.171.1-146.540.1-30000114.6I318I318-P320 HydrophobicContact CG2-CB 4.12Å
321A41.1Very low38.6Very low103 Ų103139.9 Ų139.985%0.85183%0.831SS**SBendtrans-1261.9-17400000116.6
322M47.2Very low38.8Very low187 Ų187135.2 Ų135.292%0.92182%0.818SS**SBendtrans-131.718.9-168.6-156.3174.516700114.9
323M48.7Very low38.6Very low193 Ų193132.9 Ų132.995%0.95181%0.813SS**  trans-111.359.6-176.3-163.4168.1-17500112.6
324A44.2Very low38.4Very low105 Ų105134.9 Ų134.987%0.86881%0.814SS**SBendtrans-138.97.4-177.900000115.1
325A40.6Very low38.4Very low105 Ų105135.3 Ų135.387%0.86882%0.818SS**SBendtrans-124.614.1-173.900000114.4
326A44.7Very low38.9Very low99 Ų99140.1 Ų140.182%0.81883%0.829SS**  trans-123.744.3-168.800000113.6
327Q39Very low38.8Very low198 Ų198140 Ų14093%0.92583%0.833SS**  trans-147.459.3179.7-159.9174.75.900113.8
328A40.1Very low38.5Very low105 Ų105137.5 Ų137.587%0.86883%0.826SS**SBendtrans-151.523.3174.300000114.4
329A41.6Very low38.3Very low94 Ų94139.7 Ų139.778%0.77784%0.836SS**  trans-150.555.8-168.800000115.3
330L35.2Very low38.1Very low162 Ų162139 Ų13985%0.84883%0.831SS**  trans-158.5153.8157-142.778.3000111.9
331Q37.8Very low37.3Very low181 Ų181137.2 Ų137.285%0.84683%0.826SS**  trans67.2138.5-178.1-47.1179.137.300114.3
332S37.8Very low37Very low99 Ų99137.6 Ų137.669%0.69282%0.823SS**  cis-162.6128.2-20.844.10000106
333S29.4Very low36.5Very low95 Ų95136.3 Ų136.366%0.66481%0.814SS**  60137.691.8-157.30000115.2
334W26.6Very low35.8Very low253 Ų253134.3 Ų134.396%0.95880%0.802SS**  trans74.8132.9178.1-54.687.5000118.6
335G29.5Very low35.1Very low72 Ų72135.8 Ų135.874%0.74280%0.796SS**  trans127.4128.5146.200000117.2
336M38.8Very low34.7Very low187 Ų187138.5 Ų138.592%0.92179%0.79SS**  trans62.7125.5161.1-89.2160175.600117.9
337M31.7Very low33.9Very low183 Ų183138.8 Ų138.890%0.90179%0.786SS**  cis64.412634.1-155.5179.4-174.900111.9
338G29.1Very low33.4Very low66 Ų66132.9 Ų132.968%0.6878%0.779SS**  cis14669.98.600000109.6
339M36.5Very low33.7Very low173 Ų173133.7 Ų133.785%0.85278%0.775SS**  trans-166.1159.7-174.1-103.7-161172.200108.8
340L33.2Very low33.2Very low145 Ų145135.1 Ų135.176%0.75978%0.78SS**  cis-149.8160-13.7-176.656.2000108.8
341A29.8Very low33Very low77 Ų77130.9 Ų130.964%0.63678%0.776SS**  trans-74-173178.500000114.6
342S35.4Very low32.8Very low111 Ų111129.7 Ų129.778%0.77678%0.775SS**  trans81.1151.1-178.584.50000114.8
343Q36.2Very low32.7Very low159 Ų159132.8 Ų132.874%0.74378%0.784SS**  cis-149.9166.24-145.1175.54300112.8
344Q34.2Very low32.8Very low151 Ų151136.8 Ų136.871%0.70679%0.792SS**  trans7.2132.3154-74.8158.5-10.200120.1
345N30.5Very low33.8Very low137 Ų137129.5 Ų129.573%0.73378%0.777SS**  93.3149.554.3-174.233000113.3
346Q30.9Very low33.9Very low161 Ų161135 Ų13575%0.75278%0.783SS**  trans80.7146.3175.4-52.6-176.363.700117.3
347S29.3Very low33.6Very low105 Ų105129.2 Ų129.273%0.73477%0.772SS**  cis-172.2130-22.252.90000114.6
348G28.2Very low33.5Very low75 Ų75127.5 Ų127.577%0.77377%0.766SS**  trans64.2-174.414900000120.5
349P46.8Very low33.7Very low121 Ų121131.5 Ų131.579%0.78677%0.769SS**  cis-137.8-172.9-11.842.2-25000115.8
350S31.1Very low33.3Very low124 Ų124130.8 Ų130.887%0.86776%0.764SS**  trans81.2133.2166.2-57.10000119.1
351G30.7Very low33.2Very low74 Ų74133.1 Ų133.176%0.76376%0.762SS**  cis-173.9154.9-5.800000116.2
352N33.2Very low33.1Very low155 Ų155135.4 Ų135.483%0.82976%0.76SS**  trans9.9129.1168.7-63.24.1000122.7
353N34.6Very low32.9Very low165 Ų165137.2 Ų137.288%0.88276%0.756SS**  -161.9167.194.9-107.8-15.8000113.9
354Q33.2Very low32.6Very low179 Ų179135.2 Ų135.284%0.83675%0.75SS**  trans-133.1-178.7-170.4-116.8-170.1-8.500110.1
355P47.6Very low32.4Very low99 Ų99136.4 Ų136.464%0.64376%0.756SS**  cis-121.4-147.4-10.533.2-9.5000110.2
356Q31.6Very low32.2Very low188 Ų188132.8 Ų132.888%0.87975%0.751SS**  cis-160.8169.4-0.1-152164.4-9.500110.7
357G30.8Very low32.2Very low65 Ų65135.1 Ų135.167%0.6776%0.759SS**  trans12093.2166.300000114.1
358N30.8Very low32Very low147 Ų147135.2 Ų135.279%0.78676%0.759SS**  51.612584.9-99.534.2000114.4
359M32.9Very low32.2Very low150 Ų150137.4 Ų137.474%0.73976%0.763SS**  cis-138.9156.47.6-78164.4-71.500109.2
360Q29.1Very low31.3Very low159 Ų159135.3 Ų135.374%0.74376%0.763SS**  51.8134.570.8-90.8-179.2-9.700113.9
361R30.8Very low31.3Very low194 Ų194136.2 Ų136.273%0.73276%0.758SS**  cis-159.61798.3-153.2166.8176.7176-2.4113.3
362E27.6Very low31.3Very low125 Ų125138.5 Ų138.558%0.58475%0.753SS**  trans-43.8174168.4-48.1154.362.900115.8
363Q30.9Very low31.1Very low149 Ų149134.8 Ų134.870%0.69674%0.739SS**  cis-169.9159.816-143.9-179.184.200113
364N29.3Very low31Very low117 Ų117136.1 Ų136.163%0.62673%0.733SS**  trans63.6139.1141.7-121.4-15.6000126
365Q31Very low30.7Very low176 Ų176131.4 Ų131.482%0.82273%0.732SS**  trans58.5150.9153.9-72.6161.635.400121.4
366G26.6Very low29.8Very low60 Ų60132.7 Ų132.762%0.61974%0.744SS**  cis170.8158.5-8.900000114.8
367F29.5Very low29.7Very low211 Ų211129.5 Ų129.593%0.92574%0.742SS**  trans65159.5175.5-63.4-86.5000117.2
368S26.2Very low29.7Very low107 Ų107133.5 Ų133.575%0.74875%0.748SS**  cis-145.1125.89.8-158.40000109.8
369S31.6Very low29.8Very low121 Ų121131.8 Ų131.885%0.84675%0.747SS**  81.2135.392.1-159.90000117.1
370G28.3Very low29.6Very low76 Ų76128.3 Ų128.378%0.78475%0.751SS**  trans163.9113.1175.500000111.1
371N31.1Very low29.6Very low143 Ų143125.7 Ų125.777%0.76576%0.756SS**  trans-150136-168.3178.141.9000114
372N31.3Very low29.5Very low122 Ų122121 Ų12165%0.65276%0.758SS**  trans-178.8127.9145.6-89.4-24000106.1
373S28.1Very low29.6Very low77 Ų77123.2 Ų123.254%0.53877%0.772SS.*  70.2135.558.1-150.80000111.7
374Y31.7Very low29.4Very low194 Ų194119.2 Ų119.276%0.76177%0.772SS**  cis-151.4154.630.1-54.3-104000113.5
375G28Very low29.2Very low79 Ų79126.2 Ų126.281%0.81479%0.789SS**  trans78.3153.4156.100000117.8
376S27.9Very low29.2Very low127 Ų127120.9 Ų120.989%0.88878%0.781SS**  cis-147.6179.1-4-164.10000111.4
377S30.1Very low29.5Very low120 Ų120124.1 Ų124.184%0.83979%0.794SS**  trans-98.7170.8-154.5-63.80000118
378N30.1Very low29.6Very low149 Ų149118.8 Ų118.880%0.79779%0.789SS**  trans-75.2164.8-174-176.329.3000116.2
379S33.7Very low29.8Very low111 Ų111119.2 Ų119.278%0.77679%0.793SS**  trans75.8145.2149.9700000121.6
380G28.2Very low30.1Very low78 Ų78120.8 Ų120.880%0.80479%0.792SS**  trans158.8143171.900000111.7
381A29.9Very low31.6Very low103 Ų103122.7 Ų122.785%0.85179%0.79SS**  trans-150.3146.2-176.300000115.5
382A28.9Very low31.4Very low95 Ų95119.5 Ų119.579%0.78579%0.791SS**  trans78.1155.9152.300000122.1
383I29.9Very low31.6Very low172 Ų172119.5 Ų119.588%0.88280%0.801SS**  trans87.3112160.2-52173.7000119.9
384G25.2Very low31.8Very low66 Ų66121.3 Ų121.368%0.6881%0.813SS**  trans84.6165.6138.300000120.5
385W26.2Very low31.9Very low264 Ų264117.5 Ų117.5100%182%0.815SS**  cis-169.4147.1-34.3-138.656.9000111.3
386G30.1Very low32Very low63 Ų63117.4 Ų117.465%0.64981%0.814SS**  trans74.6167.717100000116.4
387S32.9Very low32.1Very low128 Ų128121.3 Ų121.390%0.89582%0.815SS**  cis-167.3165.3-11.3-82.50000107
388A31.2Very low32.2Very low99 Ų99123.3 Ų123.382%0.81882%0.817SS**  cis-138.4-153.96.900000108.3
389S32.1Very low32.3Very low117 Ų117119.6 Ų119.682%0.81881%0.814SS**  cis-144.8176.52.759.60000111.9
390N37.8Very low32Very low154 Ų154117.5 Ų117.582%0.82481%0.809SS**  trans-153.3-173-166.8-1437.9000107.4
391P58.3Low32.2Very low116 Ų116124.7 Ų124.775%0.75382%0.819SS**  cis-133-177.1-14.741.7-24.5000114.7
392G28.3Very low32.2Very low76 Ų76123.4 Ų123.478%0.78482%0.816SS**  trans-169.999.9168.300000115.2
393S35.5Very low32.6Very low122 Ų122125 Ų12585%0.85382%0.821SS**  trans-77171.8172.652.80000111.9
394S30.9Very low32.9Very low114 Ų114122.5 Ų122.580%0.79782%0.819SS**  cis-160.2-164.231.565.70000114.7
395S35.5Very low33.5Very low115 Ų115127.1 Ų127.180%0.80482%0.824SS**  trans-76.9154.3-17051.50000117.4
396G28.4Very low34Very low77 Ų77122.3 Ų122.379%0.79482%0.818SS**  trans-151.3153.1171.100000114.6
397F31.3Very low34.5Very low208 Ų208123.7 Ų123.791%0.91282%0.818SS**  trans-93.1149.7-163.6-83.4-108000117.2
398N32.2Very low34.8Very low163 Ų163127.1 Ų127.187%0.87282%0.817SS**  trans-2.5145145.6-168.933.8000122.3
399G31Very low35.3Very low71 Ų71127.8 Ų127.873%0.73282%0.815SS**  trans96.5155.3161.100000116.1
400G28.9Very low36Very low66 Ų66127.6 Ų127.668%0.6881%0.814SS**  cis154.8127.1-10.400000113.7
401F31.3Very low36.5Very low230 Ų230123.5 Ų123.5100%1.00981%0.808SS**  trans60.4163.3176.5-69.6-94.1000117.4
402G31.1Very low35.8Very low76 Ų76130.1 Ų130.178%0.78482%0.818SS**  trans141.186.9162.600000117.1
403S37.3Very low36.9Very low128 Ų128129.5 Ų129.590%0.89581%0.812SS**  trans-57.2154.3172.3-43.60000115.4
404S36.3Very low37.3Very low120 Ų120136.4 Ų136.484%0.83983%0.834SS**  trans-146.6138.4134-163.20000111
405M36.6Very low37.6Very low162 Ų162137.6 Ų137.680%0.79884%0.836SS**  trans-87.3164.3162.7-67.8171.2160.600109.1
406D37.7Very low37.7Very low163 Ų163138.7 Ų138.787%0.87284%0.837SS**  -156.7161.3116-132.8-41.7000112.1
407S39.3Very low38.2Very low92 Ų92142.2 Ų142.264%0.64384%0.84SS**  trans-134.1132.6-158.2-57.50000115.9
408K40Very low38.6Very low201 Ų201138.3 Ų138.387%0.87484%0.836SS**  trans-147.7120.6153.2-58.6-171.9-176.7-179.50106.5
409S42.2Very low39Very low112 Ų112136.8 Ų136.878%0.78383%0.833SS**  cis56.9136.449.289.80000112.3
410S46.2Very low39.6Very low114 Ų114141.1 Ų141.180%0.79784%0.84SS**  cis-146.8176.714.852.80000111
411G47.3Very low40.3Very low67 Ų67146.5 Ų146.569%0.69185%0.851SS**  trans-141.7140.1175.400000112.9
412W43.7Very low41Very low255 Ų255140.1 Ų140.197%0.96684%0.839SS**  trans-149.7150.3162.5-67.592.5000106.3
413G51.6Low41.8Very low63 Ų63145.4 Ų145.465%0.64984%0.844SS**  cis126.269.9-0.600000112.8
414M43.9Very low42.2Very low268 Ų268147 Ų147100%1.3284%0.839SS**  trans-158.20160.3-103.7176.6-175.400109.1

Retrieved 414 of 414 residues in 496.2 ms (Link to these results)