A0A087XSS2_POEFO Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A087XSS2, Species POEFO (Poecilia formosa, Amazon molly), Gene SMAD3, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low63.2Low238 Ų238105.1 Ų105.1100%1.17258%0.579SS**  0110.60-71.5-174.3-162.300108.3I3M1-I3 PolarHBondContact O-N 3.43Å
2S36.3Very low65.5Low121 Ų121109.8 Ų109.885%0.84659%0.589SS**  trans-69.5112.5177.7-1.70000108.8L4S2-L4 PolarHBondContact O-N 2.96Å
3I39Very low67.5Low163 Ų163110.5 Ų110.584%0.83658%0.578SS**  trans-67.799173.8-56.9169.4000106.6M1M1-I3 PolarHBondContact O-N 3.43Å
4L46.3Very low69.3Low154 Ų154102.8 Ų102.881%0.80654%0.538SS*.  trans-57.6129.6168.5-77.3163.2000107.7S2 F6S2-L4 PolarHBondContact O-N 2.96Å; L4-F6 PolarHBondContact O-N 3.29Å
5P56.5Low70.8Confident102 Ų10298.6 Ų98.666%0.66252%0.516SS*.  trans-62.3116.8-176.823.3-31.3000109.5T7P5-T7 PolarHBondContact O-N 3.45Å
6F64.8Low72Confident175 Ų17596.8 Ų96.877%0.76853%0.528SS*.  trans-61.4110.1-179.9-173.4-98.2000110.1L4L4-F6 PolarHBondContact O-N 3.29Å
7T71.1Confident73.2Confident41 Ų4196.6 Ų96.625%0.25252%0.518SS..  trans-82.7122.6175.6-65.30000109.2P5 V11 E31 K35P5-T7 PolarHBondContact O-N 3.45Å; T7-V11 HydrophobicContact CG2-CB 3.85Å; T7-V11 HydrophobicContact CG2-CG1 3.65Å; T7-E31 WeakPolarHBondContact CG2-OE1 3.45Å; T7-E31 PolarHBondContact OG1-OE1 3.13Å; T7-K35 PolarHBondContact OG1-NZ 2.81Å
8P80.2Confident74.3Confident44 Ų4493.6 Ų93.629%0.28650%0.499SS..  trans-54.7139.8-177.5-26.133.5000111.5I10 V11 K12P8-I10 HydrophobicContact CB-CG2 4.32Å; P8-I10 PolarHBondContact O-N 3.05Å; P8-I10 VanDerWaalsContact O-N 3.09Å; P8-V11 HydrophobicContact CB-CG2 4.07Å; P8-V11 HydrophobicContact CG-CG2 4.16Å; P8-V11 WeakPolarHBondContact O-CB 3.22Å; P8-V11 PolarHBondContact O-N 2.94Å; P8-K12 PolarHBondContact O-N 3.3Å
9P86.3Confident75Confident96 Ų9694.1 Ų94.162%0.62350%0.497SS*.Hα-helixtrans-52.4-38.6-176.4-29.334.5000113.8V11 K12 R13P9-V11 VanDerWaalsContact C-N 3.34Å; P9-V11 PolarHBondContact O-N 2.81Å; P9-K12 PolarHBondContact O-N 3.01Å; P9-R13 PolarHBondContact O-N 3.35Å
10I88.8Confident75.3Confident21 Ų2191.6 Ų91.611%0.10850%0.495CS..Hα-helixtrans-64.7-35.4177.8-166.7162.5000113.3P8 R13 L14 V38 L47P8-I10 HydrophobicContact CB-CG2 4.32Å; P8-I10 PolarHBondContact O-N 3.05Å; P8-I10 VanDerWaalsContact O-N 3.09Å; I10-R13 PolarHBondContact O-N 3.37Å; I10-L14 HydrophobicContact CG1-CD1 4.14Å; I10-L14 HydrophobicContact CG1-CG 4.45Å; I10-L14 WeakPolarHBondContact O-CB 3.43Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.32Å; I10-L14 PolarHBondContact O-N 3.42Å; I10-V38 HydrophobicContact CG2-CG1 4.01Å; I10-L47 HydrophobicContact CD1-CD1 3.72Å; I10-L47 HydrophobicContact CD1-CD2 3.61Å; I10-L47 HydrophobicContact CD1-CG 3.54Å
11V90.6Very high75.3Confident1 Ų194.8 Ų94.81%0.00651%0.507CS..Hα-helixtrans-67.1-43.6177.1173.10000109.4T7 P8 P9 R13 L14 L15 E31 V34 K35 V38T7-V11 HydrophobicContact CG2-CB 3.85Å; T7-V11 HydrophobicContact CG2-CG1 3.65Å; P8-V11 HydrophobicContact CB-CG2 4.07Å; P8-V11 HydrophobicContact CG-CG2 4.16Å; P8-V11 WeakPolarHBondContact O-CB 3.22Å; P8-V11 PolarHBondContact O-N 2.94Å; P9-V11 VanDerWaalsContact C-N 3.34Å; P9-V11 PolarHBondContact O-N 2.81Å; V11-R13 VanDerWaalsContact C-N 3.32Å; V11-R13 PolarHBondContact O-N 3.09Å; V11-L14 PolarHBondContact O-N 3.36Å; V11-L15 HydrophobicContact CG1-CD1 3.82Å; V11-L15 HydrophobicContact CG1-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.26Å; V11-L15 PolarHBondContact O-N 3.32Å; V11-E31 HydrophobicContact CG1-CG 4.38Å; V11-V34 HydrophobicContact CB-CG1 4.38Å; V11-V34 HydrophobicContact CG1-CB 4.32Å; V11-V34 HydrophobicContact CG1-CG1 3.94Å; V11-V34 HydrophobicContact CG2-CG1 4.42Å; V11-K35 HydrophobicContact CB-CG 4.5Å; V11-K35 HydrophobicContact CG1-CG 3.87Å; V11-K35 HydrophobicContact CG2-CG 3.93Å; V11-V38 HydrophobicContact CG2-CB 4.45Å; V11-V38 HydrophobicContact CG2-CG2 4.18Å
12K90.5Very high76.7Confident161 Ų16191.5 Ų91.570%0.749%0.488SS*.Hα-helixtrans-59.7-44.1176.6-169.7178.5-178.6-179.20111.3P8 P9 L15 G16P8-K12 PolarHBondContact O-N 3.3Å; P9-K12 PolarHBondContact O-N 3.01Å; K12-L15 PolarHBondContact O-N 3.01Å; K12-G16 PolarHBondContact O-N 3.02Å; K12-G16 VanDerWaalsContact O-N 3.07Å
13R91.6Very high78.4Confident119 Ų11990 Ų9045%0.44947%0.47SS..Hα-helixtrans-62.9-46.4176.8-179.2168.448.8-177.9-2.3112.4P9 I10 V11 L15 G16 W17 E51P9-R13 PolarHBondContact O-N 3.35Å; I10-R13 PolarHBondContact O-N 3.37Å; V11-R13 VanDerWaalsContact C-N 3.32Å; V11-R13 PolarHBondContact O-N 3.09Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-L15 PolarHBondContact O-N 2.77Å; R13-G16 PolarHBondContact O-N 3.42Å; R13-G16 VanDerWaalsContact O-N 3.13Å; R13-W17 VanDerWaalsContact O-CD1 3.28Å; R13-E51 IonicContact CZ-OE1 3.34Å; R13-E51 IonicContact CZ-OE2 3.23Å; R13-E51 IonicContact NE-OE1 3.83Å; R13-E51 PolarHBondContact NE-OE1 2.95Å; R13-E51 IonicContact NE-OE2 2.8Å; R13-E51 IonicContact NH1-OE1 3.78Å; R13-E51 PolarHBondContact NH1-OE1 3.42Å; R13-E51 IonicContact NH1-OE2 3.42Å; R13-E51 IonicContact NH2-OE1 3.04Å; R13-E51 PolarHBondContact NH2-OE1 3.09Å; R13-E51 IonicContact NH2-OE2 3Å; R13-E51 PolarHBondContact NH2-OE2 3.01Å
14L93.1Very high80.1Confident3 Ų384.5 Ų84.52%0.01646%0.455CS..Hα-helixtrans-65.7-35.4178-72.6169.6000112.9I10 V11 G16 W17 V34 V38 L50 I54 W91I10-L14 HydrophobicContact CG1-CD1 4.14Å; I10-L14 HydrophobicContact CG1-CG 4.45Å; I10-L14 WeakPolarHBondContact O-CB 3.43Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.32Å; I10-L14 PolarHBondContact O-N 3.42Å; V11-L14 PolarHBondContact O-N 3.36Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.18Å; L14-W17 PolarHBondContact O-N 3.03Å; L14-V34 HydrophobicContact CB-CG1 3.82Å; L14-V34 HydrophobicContact CD1-CG1 3.96Å; L14-V38 HydrophobicContact CD1-CG2 3.61Å; L14-L50 HydrophobicContact CD1-CD2 3.69Å; L14-L50 HydrophobicContact CD1-CG 4.42Å; L14-L50 HydrophobicContact CD2-CD2 4.29Å; L14-L50 HydrophobicContact CD2-CG 4.16Å; L14-I54 HydrophobicContact CD2-CB 4.27Å; L14-I54 HydrophobicContact CD2-CG1 4.09Å; L14-I54 HydrophobicContact CD2-CG2 4.41Å; L14-W91 HydrophobicContact CB-CZ2 4.24Å; L14-W91 HydrophobicContact CD2-CZ2 4.49Å; L14-W91 PolarHBondContact O-NE1 3.29Å
15L92.3Very high81.5Confident40 Ų4083.1 Ų83.121%0.20944%0.444CS..Hα-helixtrans-67.3-28.1172.8-73.6169000112.4V11 K12 R13 W17 K18 C30 E31 V34V11-L15 HydrophobicContact CG1-CD1 3.82Å; V11-L15 HydrophobicContact CG1-CG 4.34Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.26Å; V11-L15 PolarHBondContact O-N 3.32Å; K12-L15 PolarHBondContact O-N 3.01Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-L15 PolarHBondContact O-N 2.77Å; L15-W17 PolarHBondContact O-N 3.02Å; L15-K18 WeakPolarHBondContact O-CB 3.36Å; L15-K18 PolarHBondContact O-N 3.17Å; L15-C30 HydrophobicContact CD2-CB 4.12Å; L15-E31 HydrophobicContact CD1-CB 3.97Å; L15-E31 HydrophobicContact CD1-CG 3.96Å; L15-V34 HydrophobicContact CD2-CB 4.33Å; L15-V34 HydrophobicContact CD2-CG2 3.74Å; L15-V34 HydrophobicContact CG-CB 4.5Å; L15-V34 HydrophobicContact CG-CG2 4.26Å
16G90.3Very high82.7Confident69 Ų6981.7 Ų81.771%0.71143%0.429SS*.THydrogen-bonded Turntrans-61.7-20.5172.900000114.1K12 R13 L14K12-G16 PolarHBondContact O-N 3.02Å; K12-G16 VanDerWaalsContact O-N 3.07Å; R13-G16 PolarHBondContact O-N 3.42Å; R13-G16 VanDerWaalsContact O-N 3.13Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.18Å
17W92.2Very high83.6Confident95 Ų9578 Ų7836%0.3641%0.414SS..THydrogen-bonded Turntrans-93.4-0.9174.8-67.194.2000113.6R13 L14 L15 I54 T55R13-W17 VanDerWaalsContact O-CD1 3.28Å; L14-W17 PolarHBondContact O-N 3.03Å; L15-W17 PolarHBondContact O-N 3.02Å; W17-I54 HydrophobicContact CB-CG2 3.52Å; W17-I54 HydrophobicContact CD2-CG2 4.08Å; W17-I54 HydrophobicContact CG-CG2 3.5Å; W17-I54 VanDerWaalsContact CG-CG2 3.5Å; W17-T55 HydrophobicContact CZ2-CG2 4.01Å
18K92.1Very high84.4Confident41 Ų4182.2 Ų82.218%0.17843%0.429CS..  trans-58.9141.1178.7-171.1-165.481.277.90110.1L15 G20 E21 C30 L90L15-K18 WeakPolarHBondContact O-CB 3.36Å; L15-K18 PolarHBondContact O-N 3.17Å; K18-G20 PolarHBondContact NZ-O 2.89Å; K18-E21 PolarHBondContact NZ-O 2.82Å; K18-C30 HydrophobicContact CD-CB 4.03Å; K18-L90 WeakPolarHBondContact CA-O 3.12Å; K18-L90 HydrophobicContact CB-CD2 4.3Å; K18-L90 HydrophobicContact CG-CD2 4.11Å; K18-L90 HydrophobicContact CG-CG 4.15Å; K18-L90 WeakPolarHBondContact CG-O 3.39Å
19K88.2Confident85Confident104 Ų10481.6 Ų81.645%0.45242%0.42SS..  trans-97.3157.5171-60.8-65.6-176.8178.20111L90 W91 P94K19-L90 PolarHBondContact N-O 3.2Å; K19-W91 VanDerWaalsContact CG-O 3.24Å; K19-W91 WeakPolarHBondContact CG-O 3.27Å; K19-P94 VanDerWaalsContact C-CG 3.44Å; K19-P94 HydrophobicContact CB-CG 3.47Å; K19-P94 VanDerWaalsContact CB-CG 3.47Å
20G81Confident85.2Confident44 Ų4477.2 Ų77.245%0.45439%0.392SS..SBendtrans89.9163176.900000115.1K18 P94K18-G20 PolarHBondContact NZ-O 2.89Å; G20-P94 VanDerWaalsContact N-CG 3.33Å
21E74.6Confident85.4Confident159 Ų15978.6 Ų78.674%0.74340%0.398SS*.  trans-64.9162.1-169.6-62.4-176.5162.500114.4K18 N23K18-E21 PolarHBondContact NZ-O 2.82Å; E21-N23 PolarHBondContact O-N 3.46Å
22Q65.6Low85.5Confident168 Ų16883.7 Ų83.779%0.78542%0.42SS*.  trans-8978.6-177.2-65.6-176.121.300111
23N72.4Confident85.7Confident89 Ų8976 Ų7648%0.47639%0.387SS..  trans-90.8116.1168.4-72.8-22.7000109.8E21 Q25 E26 E27E21-N23 PolarHBondContact O-N 3.46Å; N23-Q25 PolarHBondContact O-N 2.98Å; N23-E26 HydrophobicContact CB-CB 3.97Å; N23-E26 WeakPolarHBondContact O-CA 3.28Å; N23-E26 WeakPolarHBondContact O-CB 3.37Å; N23-E26 PolarHBondContact O-N 2.87Å; N23-E27 PolarHBondContact O-N 2.9Å
24G73Confident85.9Confident49 Ų4970.3 Ų70.351%0.50537%0.365SS..Hα-helixtrans-59-26.7-170.200000116
25Q75.4Confident86Confident125 Ų12573.2 Ų73.258%0.58438%0.378SS*.Hα-helixtrans-78.8-35174.4-173.965.60.300112.4N23N23-Q25 PolarHBondContact O-N 2.98Å
26E81.9Confident86.1Confident72 Ų7272.9 Ų72.934%0.33638%0.379SS..Hα-helixtrans-72.8-37.5177.8-173.3166.5-159.400111.2N23 K28 W29 C30N23-E26 HydrophobicContact CB-CB 3.97Å; N23-E26 WeakPolarHBondContact O-CA 3.28Å; N23-E26 WeakPolarHBondContact O-CB 3.37Å; N23-E26 PolarHBondContact O-N 2.87Å; E26-K28 PolarHBondContact O-N 3.15Å; E26-W29 CarbonylContact O-C 3.48Å; E26-W29 WeakPolarHBondContact O-CA 3.25Å; E26-W29 WeakPolarHBondContact O-CB 3.48Å; E26-W29 PolarHBondContact O-N 2.98Å; E26-C30 PolarHBondContact O-N 3.42Å; E26-C30 PolarHBondContact O-SG 2.87Å; E26-C30 VanDerWaalsContact O-SG 3.36Å
27E85.3Confident86.3Confident98 Ų9869.6 Ų69.646%0.45835%0.345SS..Hα-helixtrans-60.4-44.2178.2-166.4174.7-162.600112.4N23 W29 C30 E31N23-E27 PolarHBondContact O-N 2.9Å; E27-W29 PolarHBondContact O-N 3.14Å; E27-C30 PolarHBondContact O-N 3.04Å; E27-E31 WeakPolarHBondContact O-CB 3.47Å; E27-E31 PolarHBondContact O-N 3.06Å
28K88Confident86.5Confident129 Ų12965.4 Ų65.456%0.56133%0.33SS*.Hα-helixtrans-59.7-34.5173-71.2177-176173.10112.2E26 K32E26-K28 PolarHBondContact O-N 3.15Å; K28-K32 WeakPolarHBondContact O-CG 3.47Å; K28-K32 PolarHBondContact O-N 3.15Å
29W90.9Very high86.5Confident30 Ų3069.8 Ų69.811%0.11435%0.349CS..Hα-helixtrans-73-45.1176.9-177.288.2000111.4E26 E27 E31 K32 A33 V76 R79 I86E26-W29 CarbonylContact O-C 3.48Å; E26-W29 WeakPolarHBondContact O-CA 3.25Å; E26-W29 WeakPolarHBondContact O-CB 3.48Å; E26-W29 PolarHBondContact O-N 2.98Å; E27-W29 PolarHBondContact O-N 3.14Å; W29-E31 VanDerWaalsContact C-N 3.3Å; W29-E31 PolarHBondContact O-N 3.48Å; W29-K32 WeakPolarHBondContact O-CB 3.29Å; W29-K32 PolarHBondContact O-N 3.27Å; W29-K32 VanDerWaalsContact O-N 3.15Å; W29-A33 HydrophobicContact CH2-CB 4.48Å; W29-A33 HydrophobicContact CZ3-CB 4.4Å; W29-A33 PolarHBondContact O-N 3.41Å; W29-V76 HydrophobicContact CZ2-CB 4.16Å; W29-V76 HydrophobicContact CZ2-CG1 4.44Å; W29-V76 PolarHBondContact NE1-O 3.34Å; W29-R79 HydrophobicContact CZ2-CB 4.44Å; W29-I86 HydrophobicContact CH2-CG1 4.25Å; W29-I86 HydrophobicContact CH2-CG2 3.75Å; W29-I86 HydrophobicContact CZ3-CG2 4.48Å
30C91.7Very high86.8Confident5 Ų567.9 Ų67.93%0.03434%0.341CS..Hα-helixtrans-57.6-43.7175.3-67.80000111.5L15 K18 E26 E27 K32 A33 V34 L90L15-C30 HydrophobicContact CD2-CB 4.12Å; K18-C30 HydrophobicContact CD-CB 4.03Å; E26-C30 PolarHBondContact O-N 3.42Å; E26-C30 PolarHBondContact O-SG 2.87Å; E26-C30 VanDerWaalsContact O-SG 3.36Å; E27-C30 PolarHBondContact O-N 3.04Å; C30-K32 VanDerWaalsContact C-N 3.34Å; C30-K32 PolarHBondContact O-N 3.3Å; C30-A33 WeakPolarHBondContact O-CB 3.49Å; C30-A33 PolarHBondContact O-N 3.21Å; C30-A33 VanDerWaalsContact O-N 3.13Å; C30-V34 WeakPolarHBondContact O-CG2 3.41Å; C30-V34 PolarHBondContact O-N 3.44Å; C30-L90 HydrophobicContact CB-CD1 4.08Å
31E92.9Very high87.5Confident49 Ų4965.8 Ų65.823%0.22932%0.319CS..Hα-helixtrans-59.4-44176.3-177-178-169.200112T7 V11 L15 E27 W29 A33 V34 K35T7-E31 WeakPolarHBondContact CG2-OE1 3.45Å; T7-E31 PolarHBondContact OG1-OE1 3.13Å; V11-E31 HydrophobicContact CG1-CG 4.38Å; L15-E31 HydrophobicContact CD1-CB 3.97Å; L15-E31 HydrophobicContact CD1-CG 3.96Å; E27-E31 WeakPolarHBondContact O-CB 3.47Å; E27-E31 PolarHBondContact O-N 3.06Å; W29-E31 VanDerWaalsContact C-N 3.3Å; W29-E31 PolarHBondContact O-N 3.48Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-A33 PolarHBondContact O-N 3.3Å; E31-V34 PolarHBondContact O-N 2.88Å; E31-K35 HydrophobicContact CG-CD 4.03Å; E31-K35 WeakPolarHBondContact O-CB 3.45Å; E31-K35 VanDerWaalsContact O-CG 3.28Å; E31-K35 WeakPolarHBondContact O-CG 3.41Å; E31-K35 PolarHBondContact O-N 3.27Å; E31-K35 VanDerWaalsContact OE1-CE 3.25Å; E31-K35 WeakPolarHBondContact OE1-CE 3.36Å; E31-K35 IonicContact OE1-NZ 3.07Å; E31-K35 PolarHBondContact OE1-NZ 3.46Å
32K93.3Very high88.4Confident108 Ų10864 Ų6447%0.4731%0.309SS..Hα-helixtrans-63.7-38.9174.7-72.3175.3-179.6179.70112K28 W29 C30 S36 V76 S77K28-K32 WeakPolarHBondContact O-CG 3.47Å; K28-K32 PolarHBondContact O-N 3.15Å; W29-K32 WeakPolarHBondContact O-CB 3.29Å; W29-K32 PolarHBondContact O-N 3.27Å; W29-K32 VanDerWaalsContact O-N 3.15Å; C30-K32 VanDerWaalsContact C-N 3.34Å; C30-K32 PolarHBondContact O-N 3.3Å; K32-S36 WeakPolarHBondContact O-CB 3.26Å; K32-S36 PolarHBondContact O-N 3.43Å; K32-V76 HydrophobicContact CB-CG1 4.12Å; K32-S77 PolarHBondContact NZ-OG 3.02Å
33A94.3Very high89.7Confident0 Ų065.5 Ų65.50%031%0.307CS..Hα-helixtrans-63.3-45.9177.700000111.9W29 C30 E31 S36 L37 V76 I86 Y87 L90W29-A33 HydrophobicContact CH2-CB 4.48Å; W29-A33 HydrophobicContact CZ3-CB 4.4Å; W29-A33 PolarHBondContact O-N 3.41Å; C30-A33 WeakPolarHBondContact O-CB 3.49Å; C30-A33 PolarHBondContact O-N 3.21Å; C30-A33 VanDerWaalsContact O-N 3.13Å; E31-A33 VanDerWaalsContact C-N 3.34Å; E31-A33 PolarHBondContact O-N 3.3Å; A33-S36 PolarHBondContact O-N 3.18Å; A33-L37 PolarHBondContact O-N 3.07Å; A33-V76 HydrophobicContact CB-CG1 3.92Å; A33-V76 HydrophobicContact CB-CG2 4.46Å; A33-I86 HydrophobicContact CB-CG2 4.44Å; A33-Y87 PolarHBondContact O-OH 3.13Å; A33-L90 HydrophobicContact CB-CD1 4.26Å
34V95.8Very high90.6Very high0 Ų064.3 Ų64.30%030%0.303CS..Hα-helixtrans-67.8-44.3177.2177.50000110.9V11 L14 L15 C30 E31 S36 L37 V38 L90 W91V11-V34 HydrophobicContact CB-CG1 4.38Å; V11-V34 HydrophobicContact CG1-CB 4.32Å; V11-V34 HydrophobicContact CG1-CG1 3.94Å; V11-V34 HydrophobicContact CG2-CG1 4.42Å; L14-V34 HydrophobicContact CB-CG1 3.82Å; L14-V34 HydrophobicContact CD1-CG1 3.96Å; L15-V34 HydrophobicContact CD2-CB 4.33Å; L15-V34 HydrophobicContact CD2-CG2 3.74Å; L15-V34 HydrophobicContact CG-CB 4.5Å; L15-V34 HydrophobicContact CG-CG2 4.26Å; C30-V34 WeakPolarHBondContact O-CG2 3.41Å; C30-V34 PolarHBondContact O-N 3.44Å; E31-V34 PolarHBondContact O-N 2.88Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 2.75Å; V34-L37 PolarHBondContact O-N 2.76Å; V34-V38 HydrophobicContact CG1-CG2 4.19Å; V34-V38 WeakPolarHBondContact O-CB 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.31Å; V34-V38 PolarHBondContact O-N 2.76Å; V34-L90 HydrophobicContact CG2-CD1 3.88Å; V34-L90 HydrophobicContact CG2-CD2 4.13Å; V34-W91 HydrophobicContact CG2-CH2 4.36Å; V34-W91 HydrophobicContact CG2-CZ2 3.92Å
35K94.4Very high91.5Very high63 Ų6364.9 Ų64.927%0.27431%0.31SS..Hα-helixtrans-56.6-43.5174.4-78.4174.7173.3169.90111.7T7 V11 E31 K39T7-K35 PolarHBondContact OG1-NZ 2.81Å; V11-K35 HydrophobicContact CB-CG 4.5Å; V11-K35 HydrophobicContact CG1-CG 3.87Å; V11-K35 HydrophobicContact CG2-CG 3.93Å; E31-K35 HydrophobicContact CG-CD 4.03Å; E31-K35 WeakPolarHBondContact O-CB 3.45Å; E31-K35 VanDerWaalsContact O-CG 3.28Å; E31-K35 WeakPolarHBondContact O-CG 3.41Å; E31-K35 PolarHBondContact O-N 3.27Å; E31-K35 VanDerWaalsContact OE1-CE 3.25Å; E31-K35 WeakPolarHBondContact OE1-CE 3.36Å; E31-K35 IonicContact OE1-NZ 3.07Å; E31-K35 PolarHBondContact OE1-NZ 3.46Å; K35-K39 WeakPolarHBondContact O-CB 3.27Å; K35-K39 PolarHBondContact O-N 3.26Å
36S93.9Very high92.4Very high34 Ų3460.7 Ų60.724%0.23829%0.29CS..Hα-helixtrans-63-44.6176.7-172.40000111.9K32 A33 V34 K39 K40K32-S36 WeakPolarHBondContact O-CB 3.26Å; K32-S36 PolarHBondContact O-N 3.43Å; A33-S36 PolarHBondContact O-N 3.18Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 2.75Å; S36-K39 PolarHBondContact O-N 2.99Å; S36-K40 WeakPolarHBondContact O-CG 3.34Å; S36-K40 PolarHBondContact O-N 2.99Å; S36-K40 VanDerWaalsContact O-N 3.14Å
37L95.8Very high93Very high0 Ų058.8 Ų58.80%028%0.282CS..Hα-helixtrans-63.1-50.9177.6-172.758.2000111.7A33 V34 K39 K40 L41 L50 I66 Y87 W91 V121A33-L37 PolarHBondContact O-N 3.07Å; V34-L37 PolarHBondContact O-N 2.76Å; L37-K39 PolarHBondContact O-N 3.49Å; L37-K40 WeakPolarHBondContact O-CA 3.29Å; L37-K40 WeakPolarHBondContact O-CB 3.44Å; L37-K40 PolarHBondContact O-N 3.3Å; L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CD2 4.36Å; L37-L41 HydrophobicContact CD1-CG 3.92Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.9Å; L37-L41 HydrophobicContact CG-CG 4.14Å; L37-L41 PolarHBondContact O-N 3.4Å; L37-L50 HydrophobicContact CD2-CD1 4.07Å; L37-L50 HydrophobicContact CD2-CD2 3.83Å; L37-L50 HydrophobicContact CG-CD2 4.25Å; L37-I66 HydrophobicContact CD1-CG2 3.83Å; L37-Y87 HydrophobicContact CB-CE1 3.76Å; L37-Y87 WeakPolarHBondContact CB-OH 3.21Å; L37-Y87 HydrophobicContact CD1-CE2 3.93Å; L37-Y87 HydrophobicContact CD2-CD1 3.87Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE1 3.71Å; L37-Y87 HydrophobicContact CD2-CE2 4.31Å; L37-Y87 HydrophobicContact CD2-CG 4.25Å; L37-Y87 HydrophobicContact CG-CE1 4.18Å; L37-Y87 HydrophobicContact CG-CE2 4.47Å; L37-W91 HydrophobicContact CD2-CH2 3.66Å; L37-W91 HydrophobicContact CD2-CZ3 3.88Å; L37-V121 HydrophobicContact CD1-CG2 3.83Å
38V95.4Very high93.4Very high6 Ų662 Ų624%0.03630%0.297CS..Hα-helixtrans-56.6-41.1179.8166.60000110.6I10 V11 L14 V34 K40 K42 L47I10-V38 HydrophobicContact CG2-CG1 4.01Å; V11-V38 HydrophobicContact CG2-CB 4.45Å; V11-V38 HydrophobicContact CG2-CG2 4.18Å; L14-V38 HydrophobicContact CD1-CG2 3.61Å; V34-V38 HydrophobicContact CG1-CG2 4.19Å; V34-V38 WeakPolarHBondContact O-CB 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.31Å; V34-V38 PolarHBondContact O-N 2.76Å; V38-K40 VanDerWaalsContact C-N 3.35Å; V38-K40 PolarHBondContact O-N 3.46Å; V38-K42 HydrophobicContact CG1-CD 4.07Å; V38-K42 HydrophobicContact CG1-CG 4.41Å; V38-K42 VanDerWaalsContact O-CB 3.26Å; V38-K42 WeakPolarHBondContact O-CB 3.4Å; V38-K42 VanDerWaalsContact O-CG 3.22Å; V38-K42 WeakPolarHBondContact O-CG 3.33Å; V38-K42 PolarHBondContact O-N 2.88Å; V38-L47 HydrophobicContact CB-CD1 4.25Å; V38-L47 HydrophobicContact CG1-CD1 3.85Å; V38-L47 HydrophobicContact CG2-CD1 4.1Å
39K93.8Very high93.7Very high134 Ų13457.2 Ų57.258%0.58328%0.277SS*.Hα-helixtrans-63.8-38.2176.3-174.3175.8-179.5176.20112.5K35 S36 L37K35-K39 WeakPolarHBondContact O-CB 3.27Å; K35-K39 PolarHBondContact O-N 3.26Å; S36-K39 PolarHBondContact O-N 2.99Å; L37-K39 PolarHBondContact O-N 3.49Å
40K93.8Very high93.9Very high63 Ų6355.9 Ų55.927%0.27427%0.272SS..Hα-helixtrans-69.9-50.1177.4-73.2169.9177.6-82.60111.3S36 L37 V38 K42 R43 T44 I66S36-K40 WeakPolarHBondContact O-CG 3.34Å; S36-K40 PolarHBondContact O-N 2.99Å; S36-K40 VanDerWaalsContact O-N 3.14Å; L37-K40 WeakPolarHBondContact O-CA 3.29Å; L37-K40 WeakPolarHBondContact O-CB 3.44Å; L37-K40 PolarHBondContact O-N 3.3Å; V38-K40 VanDerWaalsContact C-N 3.35Å; V38-K40 PolarHBondContact O-N 3.46Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 3.49Å; K40-R43 WeakPolarHBondContact O-CB 3.38Å; K40-R43 PolarHBondContact O-N 2.8Å; K40-T44 PolarHBondContact O-N 2.68Å; K40-I66 HydrophobicContact CB-CG2 4.25Å; K40-I66 HydrophobicContact CD-CB 4.44Å; K40-I66 HydrophobicContact CD-CG2 4.19Å
41L95.1Very high94Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-70.5-24.8-178.1-60.5-175.4000113.6L37 R43 T44 G45 Q46 L50 T65 I66L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CD2 4.36Å; L37-L41 HydrophobicContact CD1-CG 3.92Å; L37-L41 HydrophobicContact CD2-CD1 4.31Å; L37-L41 HydrophobicContact CG-CD1 3.9Å; L37-L41 HydrophobicContact CG-CG 4.14Å; L37-L41 PolarHBondContact O-N 3.4Å; L41-R43 VanDerWaalsContact C-N 3.25Å; L41-R43 PolarHBondContact O-N 3.07Å; L41-T44 WeakPolarHBondContact CA-OG1 3.45Å; L41-T44 PolarHBondContact O-N 3.37Å; L41-T44 PolarHBondContact O-OG1 2.65Å; L41-G45 PolarHBondContact O-N 3.17Å; L41-Q46 HydrophobicContact CB-CB 4.35Å; L41-Q46 HydrophobicContact CD2-CB 4.11Å; L41-Q46 PolarHBondContact O-N 3.12Å; L41-L50 HydrophobicContact CD1-CB 3.65Å; L41-L50 HydrophobicContact CD1-CD1 4.43Å; L41-L50 HydrophobicContact CD1-CD2 3.69Å; L41-L50 HydrophobicContact CD1-CG 4.1Å; L41-T65 VanDerWaalsContact CD2-O 3.29Å; L41-T65 WeakPolarHBondContact CD2-O 3.47Å; L41-I66 HydrophobicContact CD2-CG2 4.17Å
42K93.6Very high94Very high122 Ų12260.7 Ų60.753%0.5329%0.292SS..Hα-helixtrans-61.5-32.8168.8-86.1-179.6177.5-165.30112.9V38 K40 L47V38-K42 HydrophobicContact CG1-CD 4.07Å; V38-K42 HydrophobicContact CG1-CG 4.41Å; V38-K42 VanDerWaalsContact O-CB 3.26Å; V38-K42 WeakPolarHBondContact O-CB 3.4Å; V38-K42 VanDerWaalsContact O-CG 3.22Å; V38-K42 WeakPolarHBondContact O-CG 3.33Å; V38-K42 PolarHBondContact O-N 2.88Å; K40-K42 VanDerWaalsContact C-N 3.3Å; K40-K42 PolarHBondContact O-N 3.49Å; K42-L47 HydrophobicContact CD-CD2 4.22Å; K42-L47 VanDerWaalsContact CE-CD2 3.47Å; K42-L47 HydrophobicContact CG-CB 4.47Å; K42-L47 HydrophobicContact CG-CD1 4.4Å; K42-L47 HydrophobicContact CG-CD2 3.63Å; K42-L47 HydrophobicContact CG-CG 4.4Å
43R92.4Very high94.1Very high199 Ų19955.5 Ų55.575%0.75127%0.269SS*.Hα-helixtrans-76.5-30.7178.4-68.3177.5176176.8-5.4112.3K40 L41K40-R43 WeakPolarHBondContact O-CB 3.38Å; K40-R43 PolarHBondContact O-N 2.8Å; L41-R43 VanDerWaalsContact C-N 3.25Å; L41-R43 PolarHBondContact O-N 3.07Å
44T91.5Very high94.2Very high64 Ų6455.6 Ų55.639%0.39327%0.27SS..Hα-helixtrans-93.6-3.8179.860.40000113.4K40 L41 Q46K40-T44 PolarHBondContact O-N 2.68Å; L41-T44 WeakPolarHBondContact CA-OG1 3.45Å; L41-T44 PolarHBondContact O-N 3.37Å; L41-T44 PolarHBondContact O-OG1 2.65Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 2.67Å; T44-Q46 PolarHBondContact OG1-OE1 3.08Å
45G92.6Very high94Very high62 Ų6258.4 Ų58.464%0.63929%0.287SS*.THydrogen-bonded Turntrans75.210.7-17900000115L41L41-G45 PolarHBondContact O-N 3.17Å
46Q94.6Very high94Very high37 Ų3758.9 Ų58.917%0.17330%0.295CS..  trans-93.213.9-176-71166.7-58.400113.8L41 T44 E49 L50 C63 L64 T65L41-Q46 HydrophobicContact CB-CB 4.35Å; L41-Q46 HydrophobicContact CD2-CB 4.11Å; L41-Q46 PolarHBondContact O-N 3.12Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 2.67Å; T44-Q46 PolarHBondContact OG1-OE1 3.08Å; Q46-E49 PolarHBondContact O-N 3.01Å; Q46-L50 PolarHBondContact O-N 2.93Å; Q46-C63 PolarHBondContact NE2-O 2.84Å; Q46-L64 HydrophobicContact CB-CD2 4.36Å; Q46-T65 PolarHBondContact NE2-OG1 3.3Å; Q46-T65 PolarHBondContact OE1-O 2.92Å; Q46-T65 PolarHBondContact OE1-OG1 2.94Å
47L94.1Very high94Very high31 Ų3161.7 Ų61.716%0.16231%0.305CS..Hα-helixtrans-66.8-41.6-174.3-172.966.6000112.9I10 V38 K42 E49 L50 E51I10-L47 HydrophobicContact CD1-CD1 3.72Å; I10-L47 HydrophobicContact CD1-CD2 3.61Å; I10-L47 HydrophobicContact CD1-CG 3.54Å; V38-L47 HydrophobicContact CB-CD1 4.25Å; V38-L47 HydrophobicContact CG1-CD1 3.85Å; V38-L47 HydrophobicContact CG2-CD1 4.1Å; K42-L47 HydrophobicContact CD-CD2 4.22Å; K42-L47 VanDerWaalsContact CE-CD2 3.47Å; K42-L47 HydrophobicContact CG-CB 4.47Å; K42-L47 HydrophobicContact CG-CD1 4.4Å; K42-L47 HydrophobicContact CG-CD2 3.63Å; K42-L47 HydrophobicContact CG-CG 4.4Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-L50 PolarHBondContact O-N 2.76Å; L47-E51 PolarHBondContact O-N 3.19Å
48E93.1Very high93.7Very high165 Ų16565 Ų6577%0.77132%0.322SS*.Hα-helixtrans-65.5-38.2176.9-65.7-179.7177.900111.1L50 E51 K52E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.36Å; E48-E51 PolarHBondContact O-N 2.88Å; E48-K52 WeakPolarHBondContact O-CB 3.48Å; E48-K52 PolarHBondContact O-N 2.84Å
49E94.5Very high93.4Very high30 Ų3067.4 Ų67.414%0.1434%0.335CS..Hα-helixtrans-67.5-35.1176.8-165.767.7-157.900111.7Q46 L47 K52 A53 K62 L64Q46-E49 PolarHBondContact O-N 3.01Å; L47-E49 VanDerWaalsContact C-N 3.31Å; E49-K52 PolarHBondContact O-N 3.18Å; E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.42Å; E49-K62 HydrophobicContact CG-CB 3.91Å; E49-K62 PolarHBondContact OE1-N 3.43Å; E49-L64 HydrophobicContact CB-CD2 3.82Å; E49-L64 HydrophobicContact CG-CD2 3.83Å
50L95.1Very high93.3Very high1 Ų166.8 Ų66.81%0.00534%0.338CS..Hα-helixtrans-60.7-48.1172170.366.3000110.6L14 L37 L41 Q46 L47 E48 K52 A53 I54 L64 W91L14-L50 HydrophobicContact CD1-CD2 3.69Å; L14-L50 HydrophobicContact CD1-CG 4.42Å; L14-L50 HydrophobicContact CD2-CD2 4.29Å; L14-L50 HydrophobicContact CD2-CG 4.16Å; L37-L50 HydrophobicContact CD2-CD1 4.07Å; L37-L50 HydrophobicContact CD2-CD2 3.83Å; L37-L50 HydrophobicContact CG-CD2 4.25Å; L41-L50 HydrophobicContact CD1-CB 3.65Å; L41-L50 HydrophobicContact CD1-CD1 4.43Å; L41-L50 HydrophobicContact CD1-CD2 3.69Å; L41-L50 HydrophobicContact CD1-CG 4.1Å; Q46-L50 PolarHBondContact O-N 2.93Å; L47-L50 PolarHBondContact O-N 2.76Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.36Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 3.28Å; L50-A53 PolarHBondContact O-N 3.24Å; L50-I54 HydrophobicContact CD1-CD1 4.31Å; L50-I54 HydrophobicContact CD1-CG1 3.8Å; L50-I54 HydrophobicContact CG-CG1 4.46Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.42Å; L50-L64 HydrophobicContact CB-CD1 3.96Å; L50-L64 HydrophobicContact CB-CD2 4.15Å; L50-L64 HydrophobicContact CD1-CD1 3.55Å; L50-L64 HydrophobicContact CG-CD1 4.37Å; L50-W91 HydrophobicContact CD1-CH2 4.31Å; L50-W91 HydrophobicContact CD1-CZ3 4.41Å
51E93.6Very high93.4Very high47 Ų4764.2 Ų64.222%0.2233%0.327CS..Hα-helixtrans-61.7-43.8179-174.5173.116000111.5R13 L47 E48 I54 T55R13-E51 IonicContact CZ-OE1 3.34Å; R13-E51 IonicContact CZ-OE2 3.23Å; R13-E51 IonicContact NE-OE1 3.83Å; R13-E51 PolarHBondContact NE-OE1 2.95Å; R13-E51 IonicContact NE-OE2 2.8Å; R13-E51 IonicContact NH1-OE1 3.78Å; R13-E51 PolarHBondContact NH1-OE1 3.42Å; R13-E51 IonicContact NH1-OE2 3.42Å; R13-E51 IonicContact NH2-OE1 3.04Å; R13-E51 PolarHBondContact NH2-OE1 3.09Å; R13-E51 IonicContact NH2-OE2 3Å; R13-E51 PolarHBondContact NH2-OE2 3.01Å; L47-E51 PolarHBondContact O-N 3.19Å; E48-E51 PolarHBondContact O-N 2.88Å; E51-I54 PolarHBondContact O-N 2.86Å; E51-T55 HydrophobicContact CG-CG2 4.35Å; E51-T55 WeakPolarHBondContact O-CB 3.32Å; E51-T55 VanDerWaalsContact O-CG2 3.26Å; E51-T55 WeakPolarHBondContact O-CG2 3.25Å; E51-T55 PolarHBondContact O-N 2.94Å; E51-T55 PolarHBondContact O-OG1 2.88Å
52K94.4Very high93.4Very high108 Ų10871.5 Ų71.547%0.4736%0.359SS..Hα-helixtrans-60.5-46.3174.9-175-177.3176.8-173.20111.6E48 E49 L50 I54 T55 T56 T61E48-K52 WeakPolarHBondContact O-CB 3.48Å; E48-K52 PolarHBondContact O-N 2.84Å; E49-K52 PolarHBondContact O-N 3.18Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 3.28Å; K52-I54 PolarHBondContact O-N 2.83Å; K52-T55 PolarHBondContact O-N 3.02Å; K52-T55 PolarHBondContact O-OG1 2.78Å; K52-T56 HydrophobicContact CG-CG2 4.05Å; K52-T56 VanDerWaalsContact O-CB 3.28Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 VanDerWaalsContact O-CG2 3.31Å; K52-T56 WeakPolarHBondContact O-CG2 3.35Å; K52-T56 PolarHBondContact O-N 3.46Å; K52-T56 PolarHBondContact O-OG1 2.92Å; K52-T61 HydrophobicContact CG-CG2 4.49Å
53A94.8Very high93.5Very high0 Ų066.7 Ų66.70%034%0.34CS..Hα-helixtrans-61.4-45.6-18000000111.8E49 L50 Q57 T61 L64 Y124E49-A53 VanDerWaalsContact O-CB 3.27Å; E49-A53 WeakPolarHBondContact O-CB 3.49Å; E49-A53 PolarHBondContact O-N 3.42Å; L50-A53 PolarHBondContact O-N 3.24Å; A53-Q57 WeakPolarHBondContact O-CA 3.44Å; A53-Q57 PolarHBondContact O-N 3.49Å; A53-T61 HydrophobicContact CB-CG2 4.38Å; A53-L64 HydrophobicContact CB-CD1 4.06Å; A53-Y124 WeakPolarHBondContact O-CD2 3.32Å; A53-Y124 WeakPolarHBondContact O-CE2 3.28Å
54I95.1Very high93.7Very high1 Ų157.2 Ų57.21%0.00531%0.305CS..Hα-helixtrans-69.8-38-179.7-61.1-55.2000112.3L14 W17 L50 E51 K52 W91 P123 Y124L14-I54 HydrophobicContact CD2-CB 4.27Å; L14-I54 HydrophobicContact CD2-CG1 4.09Å; L14-I54 HydrophobicContact CD2-CG2 4.41Å; W17-I54 HydrophobicContact CB-CG2 3.52Å; W17-I54 HydrophobicContact CD2-CG2 4.08Å; W17-I54 HydrophobicContact CG-CG2 3.5Å; W17-I54 VanDerWaalsContact CG-CG2 3.5Å; L50-I54 HydrophobicContact CD1-CD1 4.31Å; L50-I54 HydrophobicContact CD1-CG1 3.8Å; L50-I54 HydrophobicContact CG-CG1 4.46Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.45Å; L50-I54 PolarHBondContact O-N 3.42Å; E51-I54 PolarHBondContact O-N 2.86Å; K52-I54 PolarHBondContact O-N 2.83Å; I54-W91 HydrophobicContact CD1-CB 4.22Å; I54-W91 HydrophobicContact CD1-CD2 3.59Å; I54-W91 HydrophobicContact CD1-CE3 3.76Å; I54-W91 HydrophobicContact CD1-CG 3.79Å; I54-W91 HydrophobicContact CD1-CZ3 4.38Å; I54-W91 HydrophobicContact CG1-CD2 4.33Å; I54-P123 HydrophobicContact CD1-CG 3.57Å; I54-Y124 HydrophobicContact CD1-CE2 4.15Å
55T93.4Very high93.9Very high59 Ų5954.6 Ų54.636%0.36229%0.288SS..Hα-helixtrans-78.3-41.6-178.652.70000113W17 E51 K52W17-T55 HydrophobicContact CZ2-CG2 4.01Å; E51-T55 HydrophobicContact CG-CG2 4.35Å; E51-T55 WeakPolarHBondContact O-CB 3.32Å; E51-T55 VanDerWaalsContact O-CG2 3.26Å; E51-T55 WeakPolarHBondContact O-CG2 3.25Å; E51-T55 PolarHBondContact O-N 2.94Å; E51-T55 PolarHBondContact O-OG1 2.88Å; K52-T55 PolarHBondContact O-N 3.02Å; K52-T55 PolarHBondContact O-OG1 2.78Å
56T93.4Very high94.1Very high73 Ų7351.8 Ų51.845%0.44826%0.259SS..Hα-helixtrans-83.6-20.2-178.364.20000113.6K52 N58K52-T56 HydrophobicContact CG-CG2 4.05Å; K52-T56 VanDerWaalsContact O-CB 3.28Å; K52-T56 WeakPolarHBondContact O-CB 3.36Å; K52-T56 VanDerWaalsContact O-CG2 3.31Å; K52-T56 WeakPolarHBondContact O-CG2 3.35Å; K52-T56 PolarHBondContact O-N 3.46Å; K52-T56 PolarHBondContact O-OG1 2.92Å; T56-N58 PolarHBondContact O-N 3.04Å; T56-N58 VanDerWaalsContact O-N 3.09Å
57Q93Very high94.1Very high93 Ų9353.7 Ų53.744%0.43527%0.274SS..  trans54.728.4-178.4-49.5-161.123.300113.5A53 Y124A53-Q57 WeakPolarHBondContact O-CA 3.44Å; A53-Q57 PolarHBondContact O-N 3.49Å; Q57-Y124 HydrophobicContact CB-CD1 4.02Å; Q57-Y124 HydrophobicContact CB-CE1 3.4Å; Q57-Y124 HydrophobicContact CB-CE2 4.29Å; Q57-Y124 HydrophobicContact CG-CE1 3.89Å; Q57-Y124 HydrophobicContact CG-CE2 4.3Å; Q57-Y124 WeakPolarHBondContact CG-OH 3.2Å; Q57-Y124 WeakPolarHBondContact O-CD1 3.34Å; Q57-Y124 PolarHBondContact OE1-OH 2.9Å
58N89.6Confident94Very high69 Ų6955.5 Ų55.537%0.36928%0.279SS..  trans-97.9124.9-169.7-171.4-22.4000111.2T56 N60 T61T56-N58 PolarHBondContact O-N 3.04Å; T56-N58 VanDerWaalsContact O-N 3.09Å; N58-N60 PolarHBondContact O-N 3.29Å; N58-N60 WeakPolarHBondContact OD1-CB 3.34Å; N58-N60 PolarHBondContact OD1-N 2.64Å; N58-T61 HydrophobicContact CB-CG2 4.08Å; N58-T61 WeakPolarHBondContact O-CB 3.42Å; N58-T61 WeakPolarHBondContact O-CG2 3.2Å; N58-T61 PolarHBondContact O-N 3.07Å; N58-T61 PolarHBondContact O-OG1 2.97Å
59I90.4Very high93.9Very high58 Ų5849.8 Ų49.830%0.29726%0.257SS..THydrogen-bonded Turntrans-58.8-27.8176.4-162.7-177.2000113.1T61 V105 H107 Y124 H125I59-T61 VanDerWaalsContact C-N 3.29Å; I59-T61 PolarHBondContact O-N 2.59Å; I59-V105 HydrophobicContact CD1-CB 4.02Å; I59-V105 HydrophobicContact CD1-CG1 3.47Å; I59-V105 VanDerWaalsContact CD1-CG1 3.47Å; I59-V105 HydrophobicContact CG1-CB 4.23Å; I59-V105 HydrophobicContact CG1-CG1 3.75Å; I59-V105 HydrophobicContact CG1-CG2 4.2Å; I59-H107 PolarHBondContact O-NE2 3.29Å; I59-Y124 WeakPolarHBondContact CG1-O 3.14Å; I59-H125 PolarHBondContact O-CD2 3.45Å; I59-H125 PolarHBondContact O-NE2 2.93Å
60N92.2Very high93.4Very high121 Ų12157.7 Ų57.765%0.64730%0.299SS*.THydrogen-bonded Turntrans-85.85.8-177.2-60.4-40.5000113.7N58N58-N60 PolarHBondContact O-N 3.29Å; N58-N60 WeakPolarHBondContact OD1-CB 3.34Å; N58-N60 PolarHBondContact OD1-N 2.64Å
61T93.9Very high92.7Very high8 Ų861.1 Ų61.15%0.04932%0.318CS..SBendtrans-67.6161.8171.151.60000110.7K52 A53 N58 I59 N122 H125K52-T61 HydrophobicContact CG-CG2 4.49Å; A53-T61 HydrophobicContact CB-CG2 4.38Å; N58-T61 HydrophobicContact CB-CG2 4.08Å; N58-T61 WeakPolarHBondContact O-CB 3.42Å; N58-T61 WeakPolarHBondContact O-CG2 3.2Å; N58-T61 PolarHBondContact O-N 3.07Å; N58-T61 PolarHBondContact O-OG1 2.97Å; I59-T61 VanDerWaalsContact C-N 3.29Å; I59-T61 PolarHBondContact O-N 2.59Å; T61-N122 PolarHBondContact OG1-ND2 3.17Å; T61-H125 PolarHBondContact O-CE1 3.21Å; T61-H125 PolarHBondContact O-NE2 3.33Å
62K95Very high92.3Very high154 Ų15459.2 Ų59.267%0.6731%0.311SS*.PPolyproline II helixtrans-70.5161.3-178.3-60.9178.8177.31790111.5E49 L64 N122 H125E49-K62 HydrophobicContact CG-CB 3.91Å; E49-K62 PolarHBondContact OE1-N 3.43Å; K62-L64 PolarHBondContact O-N 2.82Å; K62-N122 PolarHBondContact O-ND2 3.24Å; K62-H125 VanDerWaalsContact C-CE1 3.46Å; K62-H125 PolarHBondContact O-CE1 3.26Å
63C96.1Very high92Very high21 Ų2160 Ų6014%0.14231%0.311CS..PPolyproline II helixtrans-62.1133.9172.2-73.10000109.8Q46 T65 F110 C120 H125Q46-C63 PolarHBondContact NE2-O 2.84Å; C63-T65 HydrophobicContact CB-CG2 4.17Å; C63-F110 HydrophobicContact CB-CD2 3.89Å; C63-C120 HydrophobicContact CB-CB 4.41Å; C63-H125 PolarHBondContact N-CE1 2.86Å
64L96.8Very high91.9Very high0 Ų060.8 Ų60.80%032%0.315CS..  trans-99.7104.7171.2-61.5175.3000107.7Q46 E49 L50 A53 K62 C120 V121 N122Q46-L64 HydrophobicContact CB-CD2 4.36Å; E49-L64 HydrophobicContact CB-CD2 3.82Å; E49-L64 HydrophobicContact CG-CD2 3.83Å; L50-L64 HydrophobicContact CB-CD1 3.96Å; L50-L64 HydrophobicContact CB-CD2 4.15Å; L50-L64 HydrophobicContact CD1-CD1 3.55Å; L50-L64 HydrophobicContact CG-CD1 4.37Å; A53-L64 HydrophobicContact CB-CD1 4.06Å; K62-L64 PolarHBondContact O-N 2.82Å; L64-C120 CarbonylContact O-C 3.39Å; L64-C120 VanDerWaalsContact O-CA 3.26Å; L64-C120 WeakPolarHBondContact O-CA 3.19Å; L64-V121 HydrophobicContact CB-CG2 4.16Å; L64-V121 VanDerWaalsContact O-CG2 3.28Å; L64-V121 WeakPolarHBondContact O-CG2 3.48Å; L64-V121 PolarHBondContact O-N 2.94Å; L64-N122 HydrophobicContact CB-CB 4.08Å; L64-N122 HydrophobicContact CD1-CB 3.91Å; L64-N122 HydrophobicContact CG-CB 3.92Å
65T96.8Very high91.7Very high8 Ų866.2 Ų66.25%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-102144.7-169.248.30000112.4L41 Q46 C63 F110 E118 V119L41-T65 VanDerWaalsContact CD2-O 3.29Å; L41-T65 WeakPolarHBondContact CD2-O 3.47Å; Q46-T65 PolarHBondContact NE2-OG1 3.3Å; Q46-T65 PolarHBondContact OE1-O 2.92Å; Q46-T65 PolarHBondContact OE1-OG1 2.94Å; C63-T65 HydrophobicContact CB-CG2 4.17Å; T65-F110 HydrophobicContact CG2-CB 3.7Å; T65-F110 HydrophobicContact CG2-CD1 3.94Å; T65-F110 HydrophobicContact CG2-CD2 3.8Å; T65-F110 HydrophobicContact CG2-CE2 4.41Å; T65-F110 HydrophobicContact CG2-CG 3.54Å; T65-E118 HydrophobicContact CG2-CB 4.26Å; T65-V119 WeakPolarHBondContact CA-O 3.39Å
66I95.9Very high91.5Very high3 Ų363.5 Ų63.52%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-131154.4165.565.9171.2000109.9L37 K40 L41 R68 L74 P83 E118 V119 V121L37-I66 HydrophobicContact CD1-CG2 3.83Å; K40-I66 HydrophobicContact CB-CG2 4.25Å; K40-I66 HydrophobicContact CD-CB 4.44Å; K40-I66 HydrophobicContact CD-CG2 4.19Å; L41-I66 HydrophobicContact CD2-CG2 4.17Å; I66-R68 PolarHBondContact O-N 3.26Å; I66-L74 HydrophobicContact CD1-CD2 4.3Å; I66-P83 HydrophobicContact CD1-CB 3.63Å; I66-P83 HydrophobicContact CD1-CG 4.35Å; I66-E118 WeakPolarHBondContact O-CA 3.29Å; I66-V119 HydrophobicContact CD1-CG1 4.29Å; I66-V119 HydrophobicContact CG1-CG1 3.56Å; I66-V119 PolarHBondContact N-O 3.43Å; I66-V119 WeakPolarHBondContact O-CG1 3.31Å; I66-V119 PolarHBondContact O-N 2.61Å; I66-V121 HydrophobicContact CD1-CG1 3.86Å; I66-V121 HydrophobicContact CG1-CG1 3.9Å; I66-V121 HydrophobicContact CG2-CG2 4.19Å
67P94Very high91.3Very high78 Ų7862.5 Ų62.551%0.50632%0.32SS..EExtended strand (participates in β ladder)trans-60135.5175.2-24.834000112.3
68R93.1Very high90.9Very high68 Ų6864.1 Ų64.126%0.25733%0.327SS..PPolyproline II helixtrans-77.5132.5174.7176.1179.5-76.8-109.5-5.6110I66 F112 K116 D117I66-R68 PolarHBondContact O-N 3.26Å; R68-F112 PolarHBondContact NH2-O 2.76Å; R68-K116 VanDerWaalsContact CD-O 3.28Å; R68-K116 WeakPolarHBondContact CD-O 3.42Å; R68-K116 PolarHBondContact NE-O 2.98Å; R68-D117 VanDerWaalsContact CB-O 3.25Å; R68-D117 WeakPolarHBondContact CB-O 3.34Å; R68-D117 PolarHBondContact N-O 2.73Å
69S90.2Very high90.8Very high45 Ų4566.1 Ų66.132%0.31533%0.329SS..PPolyproline II helixtrans-78.2162.6170.163.50000111.2D71 G72 R73S69-D71 PolarHBondContact O-N 3.39Å; S69-D71 VanDerWaalsContact O-N 3.15Å; S69-D71 PolarHBondContact OG-OD1 3.48Å; S69-G72 PolarHBondContact O-N 3.34Å; S69-G72 WeakPolarHBondContact OG-CA 3.28Å; S69-G72 PolarHBondContact OG-N 3.41Å; S69-G72 VanDerWaalsContact OG-N 3.08Å; S69-R73 PolarHBondContact OG-N 3.24Å; S69-R73 PolarHBondContact OG-O 2.72Å
70L83.7Confident90.7Very high196 Ų19669.2 Ų69.2100%1.02634%0.341SS*.THydrogen-bonded Turntrans-53.4-35.7176.8-65.2174000113.2
71D80.6Confident90.6Very high74 Ų7464.3 Ų64.340%0.39632%0.319SS..THydrogen-bonded Turntrans-97.64.6177.874.6-20.2000113.7S69 R73S69-D71 PolarHBondContact O-N 3.39Å; S69-D71 VanDerWaalsContact O-N 3.15Å; S69-D71 PolarHBondContact OG-OD1 3.48Å; D71-R73 PolarHBondContact O-N 2.63Å; D71-R73 PolarHBondContact OD1-N 2.88Å; D71-R73 VanDerWaalsContact OD1-N 3.12Å; D71-R73 IonicContact OD2-CZ 3.27Å; D71-R73 VanDerWaalsContact OD2-CZ 3.28Å; D71-R73 IonicContact OD2-NE 2.67Å; D71-R73 PolarHBondContact OD2-NE 2.94Å; D71-R73 IonicContact OD2-NH2 2.78Å; D71-R73 PolarHBondContact OD2-NH2 3.22Å
72G85.1Confident90.6Very high7 Ų765.7 Ų65.77%0.07233%0.326CS..SBendtrans692.3-178.300000116S69 P83S69-G72 PolarHBondContact O-N 3.34Å; S69-G72 WeakPolarHBondContact OG-CA 3.28Å; S69-G72 PolarHBondContact OG-N 3.41Å; S69-G72 VanDerWaalsContact OG-N 3.08Å; G72-P83 WeakPolarHBondContact O-CD 3.34Å
73R88.5Confident90.6Very high123 Ų12358.6 Ų58.646%0.46430%0.295SS..PPolyproline II helixtrans-103.6137.3-177.2-64.1-179.2-63.5-168.1-4.7112.6S69 D71 G81 L82S69-R73 PolarHBondContact OG-N 3.24Å; S69-R73 PolarHBondContact OG-O 2.72Å; D71-R73 PolarHBondContact O-N 2.63Å; D71-R73 PolarHBondContact OD1-N 2.88Å; D71-R73 VanDerWaalsContact OD1-N 3.12Å; D71-R73 IonicContact OD2-CZ 3.27Å; D71-R73 VanDerWaalsContact OD2-CZ 3.28Å; D71-R73 IonicContact OD2-NE 2.67Å; D71-R73 PolarHBondContact OD2-NE 2.94Å; D71-R73 IonicContact OD2-NH2 2.78Å; D71-R73 PolarHBondContact OD2-NH2 3.22Å; R73-G81 CarbonylContact C-O 3.58Å; R73-G81 WeakPolarHBondContact CA-O 3.44Å; R73-L82 HydrophobicContact CG-CD2 4Å
74L92.1Very high90.5Very high18 Ų1857.8 Ų57.89%0.09429%0.289CS..EExtended strand (participates in β ladder)trans-90.4129.5171.7178.667.6000110.1I66 V76 K80 G81 P83 I86 Y87I66-L74 HydrophobicContact CD1-CD2 4.3Å; L74-V76 HydrophobicContact CD2-CG2 3.99Å; L74-V76 HydrophobicContact CG-CG2 4.04Å; L74-K80 WeakPolarHBondContact O-CA 3.41Å; L74-G81 PolarHBondContact N-O 3.44Å; L74-G81 PolarHBondContact O-N 3.48Å; L74-P83 HydrophobicContact CB-CB 4.02Å; L74-P83 HydrophobicContact CD2-CB 4.27Å; L74-I86 HydrophobicContact CB-CD1 4.33Å; L74-I86 HydrophobicContact CD2-CD1 4.4Å; L74-Y87 HydrophobicContact CD2-CE2 3.96Å
75Q91.1Very high90.4Very high114 Ų11458.2 Ų58.253%0.53329%0.292SS..EExtended strand (participates in β ladder)trans-91.9124.4170.3-172.7170.6-18.300110.6S77 R79 K80Q75-S77 PolarHBondContact NE2-O 2.72Å; Q75-R79 WeakPolarHBondContact CA-O 3.29Å; Q75-K80 HydrophobicContact CB-CG 3.98Å; Q75-K80 HydrophobicContact CG-CG 3.99Å
76V90.4Very high90.3Very high3 Ų358.5 Ų58.52%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-124.9111172.4-177.50000108.4W29 K32 A33 L74 H78 R79W29-V76 HydrophobicContact CZ2-CB 4.16Å; W29-V76 HydrophobicContact CZ2-CG1 4.44Å; W29-V76 PolarHBondContact NE1-O 3.34Å; K32-V76 HydrophobicContact CB-CG1 4.12Å; A33-V76 HydrophobicContact CB-CG1 3.92Å; A33-V76 HydrophobicContact CB-CG2 4.46Å; L74-V76 HydrophobicContact CD2-CG2 3.99Å; L74-V76 HydrophobicContact CG-CG2 4.04Å; V76-H78 PolarHBondContact O-N 3.14Å; V76-R79 PolarHBondContact N-O 3.34Å; V76-R79 PolarHBondContact O-N 3.02Å; V76-R79 VanDerWaalsContact O-N 3.09Å
77S88.8Confident90.3Very high51 Ų5158.4 Ų58.436%0.35729%0.293SS..THydrogen-bonded Turntrans58-119.2-173.8-162.50000110.8K32 Q75K32-S77 PolarHBondContact NZ-OG 3.02Å; Q75-S77 PolarHBondContact NE2-O 2.72Å
78H85.3Confident90.4Very high128 Ų12854.7 Ų54.759%0.59327%0.269SS*.THydrogen-bonded Turntrans-962.5179.956.4-97.9000113V76V76-H78 PolarHBondContact O-N 3.14Å
79R86.2Confident90.5Very high110 Ų11055.9 Ų55.942%0.41527%0.273SS..EExtended strand (participates in β ladder)trans-110.4136.6-177.8-57.2-172.4-178.2-177.4-6.6110.8W29 Q75 V76W29-R79 HydrophobicContact CZ2-CB 4.44Å; Q75-R79 WeakPolarHBondContact CA-O 3.29Å; V76-R79 PolarHBondContact N-O 3.34Å; V76-R79 PolarHBondContact O-N 3.02Å; V76-R79 VanDerWaalsContact O-N 3.09Å
80K89.8Confident90.7Very high123 Ų12354.1 Ų54.154%0.53526%0.26SS..EExtended strand (participates in β ladder)trans-108.6135.9169.2-72.3-172.4177.1-175.80109L74 Q75L74-K80 WeakPolarHBondContact O-CA 3.41Å; Q75-K80 HydrophobicContact CB-CG 3.98Å; Q75-K80 HydrophobicContact CG-CG 3.99Å
81G89.4Confident91.2Very high19 Ų1944.9 Ų44.920%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-159.7170.1178.300000111.6R73 L74R73-G81 CarbonylContact C-O 3.58Å; R73-G81 WeakPolarHBondContact CA-O 3.44Å; L74-G81 PolarHBondContact N-O 3.44Å; L74-G81 PolarHBondContact O-N 3.48Å
82L93.2Very high91.9Very high37 Ų3744.7 Ų44.719%0.19421%0.205CC..  trans-73.6131.6177.5-66.7174.4000109.9R73 H84 V85 I86 H99 F112R73-L82 HydrophobicContact CG-CD2 4Å; L82-H84 PolarHBondContact O-N 3.45Å; L82-V85 HydrophobicContact CB-CB 4.13Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.29Å; L82-V85 PolarHBondContact O-N 2.88Å; L82-I86 WeakPolarHBondContact O-CG1 3.36Å; L82-I86 PolarHBondContact O-N 3.18Å; L82-H99 HydrophobicContact CD1-CB 3.59Å; L82-F112 HydrophobicContact CD1-CE1 4.41Å; L82-F112 HydrophobicContact CD1-CZ 4.47Å; L82-F112 HydrophobicContact CD2-CE1 4.18Å; L82-F112 HydrophobicContact CD2-CE2 3.89Å; L82-F112 HydrophobicContact CD2-CZ 3.45Å; L82-F112 VanDerWaalsContact CD2-CZ 3.45Å
83P95.1Very high92.3Very high4 Ų446.2 Ų46.23%0.02621%0.209CC..Hα-helixtrans-63-45.4-168.921.1-31.3000113I66 G72 L74 V85 I86 Y87 V119 V121I66-P83 HydrophobicContact CD1-CB 3.63Å; I66-P83 HydrophobicContact CD1-CG 4.35Å; G72-P83 WeakPolarHBondContact O-CD 3.34Å; L74-P83 HydrophobicContact CB-CB 4.02Å; L74-P83 HydrophobicContact CD2-CB 4.27Å; P83-V85 VanDerWaalsContact C-N 3.33Å; P83-V85 PolarHBondContact O-N 3.39Å; P83-I86 PolarHBondContact O-N 3.09Å; P83-Y87 WeakPolarHBondContact O-CD2 3.28Å; P83-Y87 PolarHBondContact O-N 2.93Å; P83-V119 HydrophobicContact CB-CG1 4.43Å; P83-V119 HydrophobicContact CG-CG1 3.7Å; P83-V119 HydrophobicContact CG-CG2 4.26Å; P83-V121 HydrophobicContact CB-CG1 3.8Å
84H95.3Very high92.4Very high4 Ų443.2 Ų43.22%0.01921%0.205CC..Hα-helixtrans-62.4-38.2176.862.2-74.4000112.3L82 C88 H99 F112 Y126L82-H84 PolarHBondContact O-N 3.45Å; H84-C88 VanDerWaalsContact O-CB 3.28Å; H84-C88 WeakPolarHBondContact O-CB 3.35Å; H84-C88 PolarHBondContact O-N 2.7Å; H84-C88 PolarHBondContact O-SG 2.94Å; H84-H99 VanDerWaalsContact NE2-CB 3.27Å; H84-H99 WeakPolarHBondContact NE2-CB 3.26Å; H84-F112 AromaticContact CE1-CD1 3.33Å; H84-F112 WeakPolarHBondContact CE1-CD1 3.37Å; H84-F112 AromaticContact CE1-CD2 3.49Å; H84-F112 VanDerWaalsContact CE1-CD2 3.49Å; H84-F112 WeakPolarHBondContact CE1-CD2 3.46Å; H84-F112 AromaticContact CE1-CE1 3.87Å; H84-F112 AromaticContact CE1-CE2 4Å; H84-F112 AromaticContact CE1-CG 3.12Å; H84-F112 WeakPolarHBondContact CE1-CG 3.46Å; H84-F112 AromaticContact ND1-CD2 3.44Å; H84-F112 WeakPolarHBondContact ND1-CD2 3.43Å; H84-F112 AromaticContact ND1-CG 3.39Å; H84-F112 WeakPolarHBondContact ND1-CG 3.47Å; H84-F112 AromaticContact NE2-CD1 3.96Å; H84-F112 AromaticContact NE2-CG 3.92Å; H84-Y126 HydrophobicContact CB-CD2 4.39Å; H84-Y126 HydrophobicContact CB-CE1 4.15Å; H84-Y126 HydrophobicContact CB-CE2 3.63Å; H84-Y126 VanDerWaalsContact CB-CZ 3.49Å; H84-Y126 WeakPolarHBondContact CB-OH 3.41Å; H84-Y126 AromaticContact CD2-CE1 3.92Å; H84-Y126 AromaticContact CG-CZ 4Å
85V94.3Very high92Very high10 Ų1046.7 Ų46.76%0.06122%0.224CC..Hα-helixtrans-64.4-45.7175.1-177.30000111.3L82 P83 Y87 C88 R89 L96 H99 L102L82-V85 HydrophobicContact CB-CB 4.13Å; L82-V85 HydrophobicContact CB-CG2 3.74Å; L82-V85 HydrophobicContact CD1-CG2 4.29Å; L82-V85 PolarHBondContact O-N 2.88Å; P83-V85 VanDerWaalsContact C-N 3.33Å; P83-V85 PolarHBondContact O-N 3.39Å; V85-Y87 VanDerWaalsContact C-N 3.3Å; V85-Y87 PolarHBondContact O-N 3.42Å; V85-C88 PolarHBondContact O-N 3.48Å; V85-R89 WeakPolarHBondContact O-CB 3.49Å; V85-R89 PolarHBondContact O-N 3.42Å; V85-L96 HydrophobicContact CG1-CD2 3.93Å; V85-L96 HydrophobicContact CG1-CG 4.38Å; V85-H99 HydrophobicContact CG2-CB 3.41Å; V85-H99 VanDerWaalsContact CG2-CB 3.41Å; V85-L102 HydrophobicContact CG2-CD1 4.43Å
86I94.9Very high91.9Very high14 Ų1441.3 Ų41.37%0.07220%0.199CC..Hα-helixtrans-54.7-49.2179.4-72.4165.5000110.5W29 A33 L74 L82 P83 L90W29-I86 HydrophobicContact CH2-CG1 4.25Å; W29-I86 HydrophobicContact CH2-CG2 3.75Å; W29-I86 HydrophobicContact CZ3-CG2 4.48Å; A33-I86 HydrophobicContact CB-CG2 4.44Å; L74-I86 HydrophobicContact CB-CD1 4.33Å; L74-I86 HydrophobicContact CD2-CD1 4.4Å; L82-I86 WeakPolarHBondContact O-CG1 3.36Å; L82-I86 PolarHBondContact O-N 3.18Å; P83-I86 PolarHBondContact O-N 3.09Å; I86-L90 WeakPolarHBondContact O-CB 3.44Å; I86-L90 PolarHBondContact O-N 2.86Å
87Y96.3Very high91.4Very high0 Ų047.3 Ų47.30%023%0.227CC..Hα-helixtrans-80.5-32-174.4-64.5-58.9000113.2A33 L37 L74 P83 V85 L90 W91 V121A33-Y87 PolarHBondContact O-OH 3.13Å; L37-Y87 HydrophobicContact CB-CE1 3.76Å; L37-Y87 WeakPolarHBondContact CB-OH 3.21Å; L37-Y87 HydrophobicContact CD1-CE2 3.93Å; L37-Y87 HydrophobicContact CD2-CD1 3.87Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE1 3.71Å; L37-Y87 HydrophobicContact CD2-CE2 4.31Å; L37-Y87 HydrophobicContact CD2-CG 4.25Å; L37-Y87 HydrophobicContact CG-CE1 4.18Å; L37-Y87 HydrophobicContact CG-CE2 4.47Å; L74-Y87 HydrophobicContact CD2-CE2 3.96Å; P83-Y87 WeakPolarHBondContact O-CD2 3.28Å; P83-Y87 PolarHBondContact O-N 2.93Å; V85-Y87 VanDerWaalsContact C-N 3.3Å; V85-Y87 PolarHBondContact O-N 3.42Å; Y87-L90 PolarHBondContact O-N 2.95Å; Y87-W91 HydrophobicContact CD1-CE3 4.28Å; Y87-W91 AromaticContact CD1-CH2 3.84Å; Y87-W91 HydrophobicContact CD1-CH2 3.84Å; Y87-W91 AromaticContact CD1-CZ3 3.41Å; Y87-W91 HydrophobicContact CD1-CZ3 3.41Å; Y87-W91 VanDerWaalsContact CD1-CZ3 3.41Å; Y87-W91 HydrophobicContact CE1-CH2 4.42Å; Y87-W91 HydrophobicContact CE1-CZ3 4.37Å; Y87-W91 AromaticContact CG-CZ3 3.85Å; Y87-W91 HydrophobicContact CG-CZ3 3.85Å; Y87-W91 PolarHBondContact O-N 3.35Å; Y87-W91 VanDerWaalsContact O-N 3.15Å; Y87-V121 HydrophobicContact CD2-CB 3.65Å; Y87-V121 HydrophobicContact CD2-CG1 3.83Å; Y87-V121 HydrophobicContact CD2-CG2 4.24Å; Y87-V121 HydrophobicContact CE2-CB 4.3Å; Y87-V121 HydrophobicContact CE2-CG1 4.19Å; Y87-V121 HydrophobicContact CG-CB 4.45Å
88C96Very high91Very high0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-63.7-42.9168.6-68.40000111.8H84 V85 L90 R92 W93 L96 L102H84-C88 VanDerWaalsContact O-CB 3.28Å; H84-C88 WeakPolarHBondContact O-CB 3.35Å; H84-C88 PolarHBondContact O-N 2.7Å; H84-C88 PolarHBondContact O-SG 2.94Å; V85-C88 PolarHBondContact O-N 3.48Å; C88-L90 VanDerWaalsContact C-N 3.31Å; C88-L90 PolarHBondContact O-N 3.1Å; C88-R92 WeakPolarHBondContact O-CA 3.35Å; C88-R92 WeakPolarHBondContact O-CB 3.48Å; C88-R92 PolarHBondContact O-N 2.96Å; C88-W93 HydrophobicContact CB-CE3 4.14Å; C88-W93 HydrophobicContact CB-CZ3 4.23Å; C88-W93 PolarHBondContact O-N 2.99Å; C88-W93 VanDerWaalsContact O-N 3.09Å; C88-L96 HydrophobicContact CB-CD2 3.8Å; C88-L102 HydrophobicContact CB-CD1 3.82Å; C88-L102 HydrophobicContact CB-CD2 4.39Å
89R93.9Very high90.9Very high93 Ų9341.6 Ų41.635%0.35120%0.197SC..Hα-helixtrans-61.1-42.4176.2-173.4-175.6-66175.6-1.3111.5V85 W93 P94 L96 Q97V85-R89 WeakPolarHBondContact O-CB 3.49Å; V85-R89 PolarHBondContact O-N 3.42Å; R89-W93 VanDerWaalsContact CA-O 3.27Å; R89-W93 WeakPolarHBondContact CA-O 3.33Å; R89-W93 CarbonylContact O-C 3.54Å; R89-P94 WeakPolarHBondContact CG-O 3.28Å; R89-L96 HydrophobicContact CB-CB 4.36Å; R89-L96 HydrophobicContact CB-CD2 4.33Å; R89-L96 HydrophobicContact CG-CB 4.48Å; R89-L96 PolarHBondContact NE-O 3.49Å; R89-L96 PolarHBondContact NH2-O 3.33Å; R89-Q97 PolarHBondContact NH2-O 3.07Å
90L94.5Very high90.5Very high8 Ų837.2 Ų37.24%0.04218%0.181CC..Hα-helixtrans-66.5-44.5-176.7-166.1150.6000112.8K18 K19 C30 A33 V34 I86 Y87 C88K18-L90 WeakPolarHBondContact CA-O 3.12Å; K18-L90 HydrophobicContact CB-CD2 4.3Å; K18-L90 HydrophobicContact CG-CD2 4.11Å; K18-L90 HydrophobicContact CG-CG 4.15Å; K18-L90 WeakPolarHBondContact CG-O 3.39Å; K19-L90 PolarHBondContact N-O 3.2Å; C30-L90 HydrophobicContact CB-CD1 4.08Å; A33-L90 HydrophobicContact CB-CD1 4.26Å; V34-L90 HydrophobicContact CG2-CD1 3.88Å; V34-L90 HydrophobicContact CG2-CD2 4.13Å; I86-L90 WeakPolarHBondContact O-CB 3.44Å; I86-L90 PolarHBondContact O-N 2.86Å; Y87-L90 PolarHBondContact O-N 2.95Å; C88-L90 VanDerWaalsContact C-N 3.31Å; C88-L90 PolarHBondContact O-N 3.1Å
91W95.6Very high90.3Very high2 Ų233.1 Ų33.11%0.00816%0.163CC..Hα-helixtrans-104.9-14.1-172-73.9-61000115.8L14 K19 V34 L37 L50 I54 Y87 P123L14-W91 HydrophobicContact CB-CZ2 4.24Å; L14-W91 HydrophobicContact CD2-CZ2 4.49Å; L14-W91 PolarHBondContact O-NE1 3.29Å; K19-W91 VanDerWaalsContact CG-O 3.24Å; K19-W91 WeakPolarHBondContact CG-O 3.27Å; V34-W91 HydrophobicContact CG2-CH2 4.36Å; V34-W91 HydrophobicContact CG2-CZ2 3.92Å; L37-W91 HydrophobicContact CD2-CH2 3.66Å; L37-W91 HydrophobicContact CD2-CZ3 3.88Å; L50-W91 HydrophobicContact CD1-CH2 4.31Å; L50-W91 HydrophobicContact CD1-CZ3 4.41Å; I54-W91 HydrophobicContact CD1-CB 4.22Å; I54-W91 HydrophobicContact CD1-CD2 3.59Å; I54-W91 HydrophobicContact CD1-CE3 3.76Å; I54-W91 HydrophobicContact CD1-CG 3.79Å; I54-W91 HydrophobicContact CD1-CZ3 4.38Å; I54-W91 HydrophobicContact CG1-CD2 4.33Å; Y87-W91 HydrophobicContact CD1-CE3 4.28Å; Y87-W91 AromaticContact CD1-CH2 3.84Å; Y87-W91 HydrophobicContact CD1-CH2 3.84Å; Y87-W91 AromaticContact CD1-CZ3 3.41Å; Y87-W91 HydrophobicContact CD1-CZ3 3.41Å; Y87-W91 VanDerWaalsContact CD1-CZ3 3.41Å; Y87-W91 HydrophobicContact CE1-CH2 4.42Å; Y87-W91 HydrophobicContact CE1-CZ3 4.37Å; Y87-W91 AromaticContact CG-CZ3 3.85Å; Y87-W91 HydrophobicContact CG-CZ3 3.85Å; Y87-W91 PolarHBondContact O-N 3.35Å; Y87-W91 VanDerWaalsContact O-N 3.15Å; W91-P123 HydrophobicContact CB-CG 4.21Å; W91-P123 HydrophobicContact CE3-CG 4.11Å
92R94.3Very high90.4Very high70 Ų7033 Ų3326%0.26416%0.158SC..THydrogen-bonded Turntrans-126.9-58.5-175.6-62.5-170.969.5-174.3-0.7113.5C88 P123 Y124 Y126C88-R92 WeakPolarHBondContact O-CA 3.35Å; C88-R92 WeakPolarHBondContact O-CB 3.48Å; C88-R92 PolarHBondContact O-N 2.96Å; R92-P123 WeakPolarHBondContact CD-O 3.29Å; R92-P123 HydrophobicContact CG-CB 4.06Å; R92-P123 PolarHBondContact NH1-O 3.38Å; R92-Y124 HydrophobicContact CG-CE1 4.39Å; R92-Y126 PolarHBondContact NH1-O 3.27Å
93W93.6Very high90.3Very high40 Ų4038.5 Ų38.515%0.15218%0.177CC..  trans-127.489.1-167.7-57.9-65.3000111.5C88 R89 D95 L96 L102 Y126 R128C88-W93 HydrophobicContact CB-CE3 4.14Å; C88-W93 HydrophobicContact CB-CZ3 4.23Å; C88-W93 PolarHBondContact O-N 2.99Å; C88-W93 VanDerWaalsContact O-N 3.09Å; R89-W93 VanDerWaalsContact CA-O 3.27Å; R89-W93 WeakPolarHBondContact CA-O 3.33Å; R89-W93 CarbonylContact O-C 3.54Å; W93-D95 PolarHBondContact O-N 2.9Å; W93-L96 HydrophobicContact CB-CB 3.85Å; W93-L96 WeakPolarHBondContact O-CB 3.48Å; W93-L96 PolarHBondContact O-N 3.42Å; W93-L102 HydrophobicContact CE3-CD2 3.69Å; W93-L102 HydrophobicContact CH2-CD2 4.23Å; W93-L102 HydrophobicContact CZ3-CD2 3.34Å; W93-Y126 WeakPolarHBondContact CH2-O 3.42Å; W93-R128 HydrophobicContact CD2-CB 3.88Å; W93-R128 HydrophobicContact CD2-CG 4.42Å; W93-R128 VanDerWaalsContact CE2-CB 3.43Å; W93-R128 HydrophobicContact CE3-CB 4.23Å; W93-R128 HydrophobicContact CH2-CB 3.77Å; W93-R128 HydrophobicContact CZ2-CB 3.37Å; W93-R128 HydrophobicContact CZ3-CB 4.19Å
94P89.9Confident90.2Very high59 Ų5938.9 Ų38.938%0.38318%0.18SC..THydrogen-bonded Turntrans-58-30.8-176.6-25.335.6000114.1K19 G20 R89K19-P94 VanDerWaalsContact C-CG 3.44Å; K19-P94 HydrophobicContact CB-CG 3.47Å; K19-P94 VanDerWaalsContact CB-CG 3.47Å; G20-P94 VanDerWaalsContact N-CG 3.33Å; R89-P94 WeakPolarHBondContact CG-O 3.28Å
95D85Confident90.2Very high92 Ų9239.2 Ų39.249%0.49218%0.182SC..THydrogen-bonded Turntrans-84.4-5.7-179.964.1-47000113.6W93 Q97 R128W93-D95 PolarHBondContact O-N 2.9Å; D95-Q97 VanDerWaalsContact O-CG 3.27Å; D95-Q97 WeakPolarHBondContact O-CG 3.5Å; D95-Q97 PolarHBondContact O-N 3.44Å; D95-Q97 VanDerWaalsContact O-N 3.17Å; D95-R128 IonicContact OD1-CZ 2.83Å; D95-R128 IonicContact OD1-NH1 2.61Å; D95-R128 PolarHBondContact OD1-NH1 2.91Å; D95-R128 IonicContact OD1-NH2 2.73Å; D95-R128 IonicContact OD2-CZ 3.28Å; D95-R128 IonicContact OD2-NH1 3.04Å; D95-R128 PolarHBondContact OD2-NH1 3.01Å; D95-R128 IonicContact OD2-NH2 2.64Å; D95-R128 PolarHBondContact OD2-NH2 3.07Å
96L87.3Confident90Very high1 Ų147 Ų471%0.00522%0.223CC..  trans-56.8117.5178.4179.673.8000110.6V85 C88 R89 W93 E101 L102V85-L96 HydrophobicContact CG1-CD2 3.93Å; V85-L96 HydrophobicContact CG1-CG 4.38Å; C88-L96 HydrophobicContact CB-CD2 3.8Å; R89-L96 HydrophobicContact CB-CB 4.36Å; R89-L96 HydrophobicContact CB-CD2 4.33Å; R89-L96 HydrophobicContact CG-CB 4.48Å; R89-L96 PolarHBondContact NE-O 3.49Å; R89-L96 PolarHBondContact NH2-O 3.33Å; W93-L96 HydrophobicContact CB-CB 3.85Å; W93-L96 WeakPolarHBondContact O-CB 3.48Å; W93-L96 PolarHBondContact O-N 3.42Å; L96-E101 HydrophobicContact CD1-CB 3.54Å; L96-E101 HydrophobicContact CD1-CG 4.36Å; L96-L102 HydrophobicContact CD1-CD2 3.84Å; L96-L102 HydrophobicContact CD1-CG 4Å; L96-L102 HydrophobicContact CD2-CD1 3.83Å; L96-L102 HydrophobicContact CD2-CD2 4.05Å; L96-L102 HydrophobicContact CD2-CG 4.06Å
97Q80.6Confident89.9Confident129 Ų12950.5 Ų50.560%0.60324%0.239SC*.  trans-96.8-39-175.6-58-166.9-1.600112.2R89 D95 E101R89-Q97 PolarHBondContact NH2-O 3.07Å; D95-Q97 VanDerWaalsContact O-CG 3.27Å; D95-Q97 WeakPolarHBondContact O-CG 3.5Å; D95-Q97 PolarHBondContact O-N 3.44Å; D95-Q97 VanDerWaalsContact O-N 3.17Å; Q97-E101 WeakPolarHBondContact CA-OE1 3.41Å; Q97-E101 PolarHBondContact N-OE1 3.39Å
98S80.1Confident89.8Confident17 Ų1750.9 Ų50.912%0.11924%0.242CC..  trans-132.1153.5-170.6-172.10000113.5H100 E101S98-H100 PolarHBondContact O-N 3.25Å; S98-H100 PolarHBondContact OG-CD2 3.13Å; S98-H100 PolarHBondContact OG-N 3.26Å; S98-E101 PolarHBondContact N-OE1 3.41Å; S98-E101 PolarHBondContact O-N 3.15Å
99H83.2Confident89.8Confident42 Ų4257 Ų5719%0.19427%0.27CS..G310 helixtrans-60.8-23.4169.972.1-61.6000113.7L82 H84 V85 E101 L102L82-H99 HydrophobicContact CD1-CB 3.59Å; H84-H99 VanDerWaalsContact NE2-CB 3.27Å; H84-H99 WeakPolarHBondContact NE2-CB 3.26Å; V85-H99 HydrophobicContact CG2-CB 3.41Å; V85-H99 VanDerWaalsContact CG2-CB 3.41Å; H99-E101 PolarHBondContact O-N 2.8Å; H99-L102 WeakPolarHBondContact O-CB 3.41Å; H99-L102 PolarHBondContact O-N 2.98Å
100H78.7Confident89.9Confident18 Ų1855 Ų558%0.08326%0.264CS..G310 helixtrans-63.9-29.1179-80.1-50000112.1S98 L102 I129 Y297 I299S98-H100 PolarHBondContact O-N 3.25Å; S98-H100 PolarHBondContact OG-CD2 3.13Å; S98-H100 PolarHBondContact OG-N 3.26Å; H100-L102 PolarHBondContact O-N 2.92Å; H100-I129 WeakPolarHBondContact O-CD1 3.44Å; H100-Y297 AromaticContact CE1-CD1 3.87Å; H100-Y297 AromaticContact CE1-CG 3.8Å; H100-Y297 AromaticContact ND1-CD2 3.95Å; H100-I299 HydrophobicContact CB-CD1 3.38Å; H100-I299 HydrophobicContact CB-CG1 3.64Å; H100-I299 WeakPolarHBondContact O-CD1 3.45Å; H100-I299 WeakPolarHBondContact O-CG2 3.36Å
101E85.9Confident89.8Confident36 Ų3654.6 Ų54.617%0.16826%0.263CS..G310 helixtrans-74.2-0.3173.4-65.3170.3-100.200113.3L96 Q97 S98 H99 R128 I129L96-E101 HydrophobicContact CD1-CB 3.54Å; L96-E101 HydrophobicContact CD1-CG 4.36Å; Q97-E101 WeakPolarHBondContact CA-OE1 3.41Å; Q97-E101 PolarHBondContact N-OE1 3.39Å; S98-E101 PolarHBondContact N-OE1 3.41Å; S98-E101 PolarHBondContact O-N 3.15Å; H99-E101 PolarHBondContact O-N 2.8Å; E101-R128 CarbonylContact O-C 3.58Å; E101-R128 VanDerWaalsContact O-CA 3.31Å; E101-R128 WeakPolarHBondContact O-CA 3.04Å; E101-R128 IonicContact OE2-CZ 3.52Å; E101-R128 IonicContact OE2-NE 2.71Å; E101-R128 PolarHBondContact OE2-NE 3.29Å; E101-R128 IonicContact OE2-NH2 3.2Å; E101-R128 PolarHBondContact OE2-NH2 2.9Å; E101-I129 PolarHBondContact O-N 3.2Å
102L91.3Very high89.6Confident17 Ų1756.1 Ų56.19%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-114131-178.6-61.5-179.3000111.4V85 C88 W93 L96 H99 H100 Y126 Q127V85-L102 HydrophobicContact CG2-CD1 4.43Å; C88-L102 HydrophobicContact CB-CD1 3.82Å; C88-L102 HydrophobicContact CB-CD2 4.39Å; W93-L102 HydrophobicContact CE3-CD2 3.69Å; W93-L102 HydrophobicContact CH2-CD2 4.23Å; W93-L102 HydrophobicContact CZ3-CD2 3.34Å; L96-L102 HydrophobicContact CD1-CD2 3.84Å; L96-L102 HydrophobicContact CD1-CG 4Å; L96-L102 HydrophobicContact CD2-CD1 3.83Å; L96-L102 HydrophobicContact CD2-CD2 4.05Å; L96-L102 HydrophobicContact CD2-CG 4.06Å; H99-L102 WeakPolarHBondContact O-CB 3.41Å; H99-L102 PolarHBondContact O-N 2.98Å; H100-L102 PolarHBondContact O-N 2.92Å; L102-Y126 HydrophobicContact CB-CD1 4.16Å; L102-Y126 HydrophobicContact CD1-CD1 4.47Å; L102-Y126 HydrophobicContact CD1-CG 4.4Å; L102-Q127 WeakPolarHBondContact CA-O 3.4Å
103R90.9Very high89.1Confident153 Ų15359.1 Ų59.158%0.57729%0.286SS*.EExtended strand (participates in β ladder)trans-109.5129.3166.7-175.7178.5-66.4172.91.4109.4Y126 Q127 I129R103-Y126 CarbonylContact O-C 3.48Å; R103-Y126 VanDerWaalsContact O-CA 3.29Å; R103-Y126 WeakPolarHBondContact O-CA 3.28Å; R103-Q127 PolarHBondContact N-O 2.86Å; R103-Q127 PolarHBondContact O-N 3.23Å; R103-I129 HydrophobicContact CB-CD1 4.25Å; R103-I129 HydrophobicContact CB-CG1 4.09Å
104A93.3Very high88.9Confident12 Ų1259.8 Ų59.810%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-73.3148.8172.600000110.8A111 H125 Y126A104-A111 HydrophobicContact CB-CB 3.39Å; A104-H125 WeakPolarHBondContact CA-O 3.49Å; A104-Y126 HydrophobicContact CB-CD1 4.12Å; A104-Y126 HydrophobicContact CB-CE1 3.99Å
105V94.2Very high88.7Confident11 Ų1165 Ų657%0.06731%0.311CS..  trans-76.5150.1177-56.80000110.3I59 H107 C108 H125 Q127I59-V105 HydrophobicContact CD1-CB 4.02Å; I59-V105 HydrophobicContact CD1-CG1 3.47Å; I59-V105 VanDerWaalsContact CD1-CG1 3.47Å; I59-V105 HydrophobicContact CG1-CB 4.23Å; I59-V105 HydrophobicContact CG1-CG1 3.75Å; I59-V105 HydrophobicContact CG1-CG2 4.2Å; V105-H107 VanDerWaalsContact C-N 3.26Å; V105-H107 VanDerWaalsContact CG2-CE1 3.44Å; V105-H107 WeakPolarHBondContact CG2-CE1 3.42Å; V105-H107 PolarHBondContact O-N 3.23Å; V105-H107 VanDerWaalsContact O-N 3.17Å; V105-C108 HydrophobicContact CG2-CB 3.88Å; V105-C108 WeakPolarHBondContact O-CB 3.48Å; V105-C108 PolarHBondContact O-N 2.99Å; V105-H125 HydrophobicContact CG2-CB 4.09Å; V105-H125 PolarHBondContact N-O 3.09Å; V105-Q127 HydrophobicContact CG1-CG 4.02Å
106D90.1Very high89.1Confident172 Ų17264.8 Ų64.892%0.9231%0.306SS*.THydrogen-bonded Turntrans-60.7-32.4-167.8-63-31.3000113.9C108D106-C108 VanDerWaalsContact C-N 3.29Å; D106-C108 PolarHBondContact O-N 3.09Å
107H92.6Very high89.4Confident89 Ų8971.7 Ų71.741%0.41234%0.343SS..THydrogen-bonded Turntrans-84.86177.561.2-83.1000114.3I59 V105 E109I59-H107 PolarHBondContact O-NE2 3.29Å; V105-H107 VanDerWaalsContact C-N 3.26Å; V105-H107 VanDerWaalsContact CG2-CE1 3.44Å; V105-H107 WeakPolarHBondContact CG2-CE1 3.42Å; V105-H107 PolarHBondContact O-N 3.23Å; V105-H107 VanDerWaalsContact O-N 3.17Å; H107-E109 PolarHBondContact O-N 3.17Å; H107-E109 VanDerWaalsContact O-N 3.13Å
108C95.3Very high90Very high8 Ų868.5 Ų68.55%0.05433%0.328CS..  trans-80.792.2177.4-173.70000111.2V105 D106 F110 A111 H125V105-C108 HydrophobicContact CG2-CB 3.88Å; V105-C108 WeakPolarHBondContact O-CB 3.48Å; V105-C108 PolarHBondContact O-N 2.99Å; D106-C108 VanDerWaalsContact C-N 3.29Å; D106-C108 PolarHBondContact O-N 3.09Å; C108-F110 PolarHBondContact O-N 2.92Å; C108-F110 VanDerWaalsContact O-N 3.15Å; C108-A111 HydrophobicContact CB-CB 4.2Å; C108-A111 PolarHBondContact O-N 3.09Å; C108-A111 PolarHBondContact SG-N 3Å; C108-A111 VanDerWaalsContact SG-N 3.43Å; C108-H125 HydrophobicContact CB-CB 4.3Å
109E94.8Very high90.8Very high128 Ų12867.8 Ų67.860%0.59832%0.323SS*.THydrogen-bonded Turntrans-62.8-23.3-178.1-63.6-176.8174.500114.4H107 K116H107-E109 PolarHBondContact O-N 3.17Å; H107-E109 VanDerWaalsContact O-N 3.13Å; E109-K116 WeakPolarHBondContact O-CD 3.39Å; E109-K116 VanDerWaalsContact O-CE 3.32Å; E109-K116 WeakPolarHBondContact O-CE 3.45Å; E109-K116 PolarHBondContact O-NZ 3.21Å
110F96.1Very high91.5Very high50 Ų5065.8 Ų65.822%0.21931%0.313CS..THydrogen-bonded Turntrans-114.824.6-175.9-61.4-89.8000112.3C63 T65 C108 K116 E118 C120C63-F110 HydrophobicContact CB-CD2 3.89Å; T65-F110 HydrophobicContact CG2-CB 3.7Å; T65-F110 HydrophobicContact CG2-CD1 3.94Å; T65-F110 HydrophobicContact CG2-CD2 3.8Å; T65-F110 HydrophobicContact CG2-CE2 4.41Å; T65-F110 HydrophobicContact CG2-CG 3.54Å; C108-F110 PolarHBondContact O-N 2.92Å; C108-F110 VanDerWaalsContact O-N 3.15Å; F110-K116 HydrophobicContact CD1-CD 3.89Å; F110-K116 HydrophobicContact CE1-CD 4.11Å; F110-E118 HydrophobicContact CD1-CB 3.98Å; F110-E118 HydrophobicContact CE1-CB 4.34Å; F110-C120 HydrophobicContact CB-CB 3.95Å; F110-C120 WeakPolarHBondContact O-CB 3.48Å; F110-C120 PolarHBondContact O-N 3.08Å
111A93.2Very high92.4Very high1 Ų165 Ų651%0.00831%0.31CS..  trans-54147.7177.400000112.2A104 C108 H113 T114A104-A111 HydrophobicContact CB-CB 3.39Å; C108-A111 HydrophobicContact CB-CB 4.2Å; C108-A111 PolarHBondContact O-N 3.09Å; C108-A111 PolarHBondContact SG-N 3Å; C108-A111 VanDerWaalsContact SG-N 3.43Å; A111-H113 WeakPolarHBondContact CB-NE2 3.45Å; A111-H113 PolarHBondContact O-N 3.37Å; A111-T114 HydrophobicContact CB-CG2 4.14Å; A111-T114 PolarHBondContact O-N 2.85Å; A111-T114 PolarHBondContact O-OG1 2.86Å
112F90.9Very high92.9Very high34 Ų3463.2 Ų63.215%0.14930%0.302CS..G310 helixtrans-57.2-30.6-174.6-178.1-102000114.5R68 L82 H84 T114 V119 Y126R68-F112 PolarHBondContact NH2-O 2.76Å; L82-F112 HydrophobicContact CD1-CE1 4.41Å; L82-F112 HydrophobicContact CD1-CZ 4.47Å; L82-F112 HydrophobicContact CD2-CE1 4.18Å; L82-F112 HydrophobicContact CD2-CE2 3.89Å; L82-F112 HydrophobicContact CD2-CZ 3.45Å; L82-F112 VanDerWaalsContact CD2-CZ 3.45Å; H84-F112 AromaticContact CE1-CD1 3.33Å; H84-F112 WeakPolarHBondContact CE1-CD1 3.37Å; H84-F112 AromaticContact CE1-CD2 3.49Å; H84-F112 VanDerWaalsContact CE1-CD2 3.49Å; H84-F112 WeakPolarHBondContact CE1-CD2 3.46Å; H84-F112 AromaticContact CE1-CE1 3.87Å; H84-F112 AromaticContact CE1-CE2 4Å; H84-F112 AromaticContact CE1-CG 3.12Å; H84-F112 WeakPolarHBondContact CE1-CG 3.46Å; H84-F112 AromaticContact ND1-CD2 3.44Å; H84-F112 WeakPolarHBondContact ND1-CD2 3.43Å; H84-F112 AromaticContact ND1-CG 3.39Å; H84-F112 WeakPolarHBondContact ND1-CG 3.47Å; H84-F112 AromaticContact NE2-CD1 3.96Å; H84-F112 AromaticContact NE2-CG 3.92Å; F112-T114 VanDerWaalsContact C-N 3.32Å; F112-T114 PolarHBondContact O-N 2.67Å; F112-V119 HydrophobicContact CB-CG2 4.15Å; F112-V119 HydrophobicContact CD2-CG2 3.81Å; F112-V119 HydrophobicContact CG-CG2 4.49Å; F112-Y126 PolarHBondContact N-OH 2.85Å
113H85.1Confident93.1Very high133 Ų13362.4 Ų62.462%0.61630%0.297SS*.G310 helixtrans-76-15.1179.163.576.8000114A111 K115A111-H113 WeakPolarHBondContact CB-NE2 3.45Å; A111-H113 PolarHBondContact O-N 3.37Å; H113-K115 PolarHBondContact O-N 3.25Å
114T88Confident93.4Very high53 Ų5356 Ų5633%0.32527%0.273SS..G310 helixtrans-73.4-11.1-17965.20000113.2A111 F112 K116A111-T114 HydrophobicContact CB-CG2 4.14Å; A111-T114 PolarHBondContact O-N 2.85Å; A111-T114 PolarHBondContact O-OG1 2.86Å; F112-T114 VanDerWaalsContact C-N 3.32Å; F112-T114 PolarHBondContact O-N 2.67Å; T114-K116 PolarHBondContact O-N 3.08Å; T114-K116 VanDerWaalsContact O-N 3.09Å
115K87.3Confident93.5Very high168 Ų16855.5 Ų55.573%0.7327%0.269SS*.  trans54.925.1177.2-60.1179.7-176.3175.40114.7H113H113-K115 PolarHBondContact O-N 3.25Å
116K91.4Very high93.6Very high88 Ų8855.2 Ų55.238%0.38327%0.267SS..  trans-66163.6170.2-67.9-176.9176.6175.40111.8R68 E109 F110 T114 E118R68-K116 VanDerWaalsContact CD-O 3.28Å; R68-K116 WeakPolarHBondContact CD-O 3.42Å; R68-K116 PolarHBondContact NE-O 2.98Å; E109-K116 WeakPolarHBondContact O-CD 3.39Å; E109-K116 VanDerWaalsContact O-CE 3.32Å; E109-K116 WeakPolarHBondContact O-CE 3.45Å; E109-K116 PolarHBondContact O-NZ 3.21Å; F110-K116 HydrophobicContact CD1-CD 3.89Å; F110-K116 HydrophobicContact CE1-CD 4.11Å; T114-K116 PolarHBondContact O-N 3.08Å; T114-K116 VanDerWaalsContact O-N 3.09Å; K116-E118 PolarHBondContact O-N 3.36Å; K116-E118 VanDerWaalsContact O-N 3.17Å
117D93.6Very high93.8Very high146 Ų14651.8 Ų51.878%0.78125%0.245SC*.SBendtrans-61.2-20.6176.2-65.1-27.5000113.2R68R68-D117 VanDerWaalsContact CB-O 3.25Å; R68-D117 WeakPolarHBondContact CB-O 3.34Å; R68-D117 PolarHBondContact N-O 2.73Å
118E95.1Very high93.7Very high62 Ų6250.6 Ų50.629%0.2924%0.237SC..EExtended strand (participates in β ladder)trans-117.5152.5173.7-61.1-165.4120.200111.5T65 I66 F110 K116T65-E118 HydrophobicContact CG2-CB 4.26Å; I66-E118 WeakPolarHBondContact O-CA 3.29Å; F110-E118 HydrophobicContact CD1-CB 3.98Å; F110-E118 HydrophobicContact CE1-CB 4.34Å; K116-E118 PolarHBondContact O-N 3.36Å; K116-E118 VanDerWaalsContact O-N 3.17Å
119V96.1Very high93.2Very high2 Ų252.3 Ų52.31%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-125131.517857.40000110.9T65 I66 P83 F112T65-V119 WeakPolarHBondContact CA-O 3.39Å; I66-V119 HydrophobicContact CD1-CG1 4.29Å; I66-V119 HydrophobicContact CG1-CG1 3.56Å; I66-V119 PolarHBondContact N-O 3.43Å; I66-V119 WeakPolarHBondContact O-CG1 3.31Å; I66-V119 PolarHBondContact O-N 2.61Å; P83-V119 HydrophobicContact CB-CG1 4.43Å; P83-V119 HydrophobicContact CG-CG1 3.7Å; P83-V119 HydrophobicContact CG-CG2 4.26Å; F112-V119 HydrophobicContact CB-CG2 4.15Å; F112-V119 HydrophobicContact CD2-CG2 3.81Å; F112-V119 HydrophobicContact CG-CG2 4.49Å
120C97.3Very high92Very high0 Ų054.1 Ų54.10%025%0.254CS..EExtended strand (participates in β ladder)trans-70.9127.3171.6-171.70000110.5C63 L64 F110 N122 H125 Y126C63-C120 HydrophobicContact CB-CB 4.41Å; L64-C120 CarbonylContact O-C 3.39Å; L64-C120 VanDerWaalsContact O-CA 3.26Å; L64-C120 WeakPolarHBondContact O-CA 3.19Å; F110-C120 HydrophobicContact CB-CB 3.95Å; F110-C120 WeakPolarHBondContact O-CB 3.48Å; F110-C120 PolarHBondContact O-N 3.08Å; C120-N122 PolarHBondContact SG-N 2.89Å; C120-H125 PolarHBondContact SG-ND1 3.42Å; C120-Y126 WeakPolarHBondContact O-CE2 3.32Å; C120-Y126 PolarHBondContact O-OH 2.84Å
121V97.2Very high90.4Very high1 Ų155.3 Ų55.31%0.00627%0.265CS..  trans-115.810.8176.3-64.60000112.9L37 L64 I66 P83 Y87 P123L37-V121 HydrophobicContact CD1-CG2 3.83Å; L64-V121 HydrophobicContact CB-CG2 4.16Å; L64-V121 VanDerWaalsContact O-CG2 3.28Å; L64-V121 WeakPolarHBondContact O-CG2 3.48Å; L64-V121 PolarHBondContact O-N 2.94Å; I66-V121 HydrophobicContact CD1-CG1 3.86Å; I66-V121 HydrophobicContact CG1-CG1 3.9Å; I66-V121 HydrophobicContact CG2-CG2 4.19Å; P83-V121 HydrophobicContact CB-CG1 3.8Å; Y87-V121 HydrophobicContact CD2-CB 3.65Å; Y87-V121 HydrophobicContact CD2-CG1 3.83Å; Y87-V121 HydrophobicContact CD2-CG2 4.24Å; Y87-V121 HydrophobicContact CE2-CB 4.3Å; Y87-V121 HydrophobicContact CE2-CG1 4.19Å; Y87-V121 HydrophobicContact CG-CB 4.45Å; V121-P123 VanDerWaalsContact O-CD 3.28Å; V121-P123 WeakPolarHBondContact O-CD 3.48Å
122N96.9Very high88.8Confident0 Ų057.4 Ų57.40%028%0.279CS..  trans-65.8113.6173.5-174.8-17.4000109.2T61 K62 L64 C120 Y124 H125 Y126T61-N122 PolarHBondContact OG1-ND2 3.17Å; K62-N122 PolarHBondContact O-ND2 3.24Å; L64-N122 HydrophobicContact CB-CB 4.08Å; L64-N122 HydrophobicContact CD1-CB 3.91Å; L64-N122 HydrophobicContact CG-CB 3.92Å; C120-N122 PolarHBondContact SG-N 2.89Å; N122-Y124 PolarHBondContact O-N 3.25Å; N122-Y124 VanDerWaalsContact O-N 3.14Å; N122-Y124 PolarHBondContact OD1-N 3.04Å; N122-H125 HydrophobicContact CB-CB 4.16Å; N122-H125 PolarHBondContact ND2-CD2 3.44Å; N122-H125 PolarHBondContact ND2-NE2 2.91Å; N122-H125 WeakPolarHBondContact O-CB 3.49Å; N122-H125 PolarHBondContact O-N 3.15Å; N122-Y126 VanDerWaalsContact O-CD2 3.29Å; N122-Y126 WeakPolarHBondContact O-CD2 3.36Å
123P96.1Very high87.7Confident0 Ų063.8 Ų63.80%031%0.313CS..G310 helixtrans-66.6-17.8-175.629.2-36.2000113.1I54 W91 R92 V121I54-P123 HydrophobicContact CD1-CG 3.57Å; W91-P123 HydrophobicContact CB-CG 4.21Å; W91-P123 HydrophobicContact CE3-CG 4.11Å; R92-P123 WeakPolarHBondContact CD-O 3.29Å; R92-P123 HydrophobicContact CG-CB 4.06Å; R92-P123 PolarHBondContact NH1-O 3.38Å; V121-P123 VanDerWaalsContact O-CD 3.28Å; V121-P123 WeakPolarHBondContact O-CD 3.48Å
124Y96.4Very high87.1Confident17 Ų1758.5 Ų58.57%0.06729%0.289CS..G310 helixtrans-87.4-6176.3-62.2-79.1000113.3A53 I54 Q57 I59 R92 N122 Y126A53-Y124 WeakPolarHBondContact O-CD2 3.32Å; A53-Y124 WeakPolarHBondContact O-CE2 3.28Å; I54-Y124 HydrophobicContact CD1-CE2 4.15Å; Q57-Y124 HydrophobicContact CB-CD1 4.02Å; Q57-Y124 HydrophobicContact CB-CE1 3.4Å; Q57-Y124 HydrophobicContact CB-CE2 4.29Å; Q57-Y124 HydrophobicContact CG-CE1 3.89Å; Q57-Y124 HydrophobicContact CG-CE2 4.3Å; Q57-Y124 WeakPolarHBondContact CG-OH 3.2Å; Q57-Y124 WeakPolarHBondContact O-CD1 3.34Å; Q57-Y124 PolarHBondContact OE1-OH 2.9Å; I59-Y124 WeakPolarHBondContact CG1-O 3.14Å; R92-Y124 HydrophobicContact CG-CE1 4.39Å; N122-Y124 PolarHBondContact O-N 3.25Å; N122-Y124 VanDerWaalsContact O-N 3.14Å; N122-Y124 PolarHBondContact OD1-N 3.04Å; Y124-Y126 VanDerWaalsContact C-N 3.26Å
125H96.8Very high86.6Confident2 Ų260.2 Ų60.21%0.00930%0.301CS..G310 helixtrans-88.12.7169-71-170.1000113.1I59 T61 K62 C63 A104 V105 C108 C120 N122I59-H125 PolarHBondContact O-CD2 3.45Å; I59-H125 PolarHBondContact O-NE2 2.93Å; T61-H125 PolarHBondContact O-CE1 3.21Å; T61-H125 PolarHBondContact O-NE2 3.33Å; K62-H125 VanDerWaalsContact C-CE1 3.46Å; K62-H125 PolarHBondContact O-CE1 3.26Å; C63-H125 PolarHBondContact N-CE1 2.86Å; A104-H125 WeakPolarHBondContact CA-O 3.49Å; V105-H125 HydrophobicContact CG2-CB 4.09Å; V105-H125 PolarHBondContact N-O 3.09Å; C108-H125 HydrophobicContact CB-CB 4.3Å; C120-H125 PolarHBondContact SG-ND1 3.42Å; N122-H125 HydrophobicContact CB-CB 4.16Å; N122-H125 PolarHBondContact ND2-CD2 3.44Å; N122-H125 PolarHBondContact ND2-NE2 2.91Å; N122-H125 WeakPolarHBondContact O-CB 3.49Å; N122-H125 PolarHBondContact O-N 3.15Å
126Y96.3Very high85.8Confident5 Ų555.3 Ų55.32%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-119.8141.4173-61.5-86.8000108.8H84 R92 W93 L102 R103 A104 F112 C120 N122 Y124H84-Y126 HydrophobicContact CB-CD2 4.39Å; H84-Y126 HydrophobicContact CB-CE1 4.15Å; H84-Y126 HydrophobicContact CB-CE2 3.63Å; H84-Y126 VanDerWaalsContact CB-CZ 3.49Å; H84-Y126 WeakPolarHBondContact CB-OH 3.41Å; H84-Y126 AromaticContact CD2-CE1 3.92Å; H84-Y126 AromaticContact CG-CZ 4Å; R92-Y126 PolarHBondContact NH1-O 3.27Å; W93-Y126 WeakPolarHBondContact CH2-O 3.42Å; L102-Y126 HydrophobicContact CB-CD1 4.16Å; L102-Y126 HydrophobicContact CD1-CD1 4.47Å; L102-Y126 HydrophobicContact CD1-CG 4.4Å; R103-Y126 CarbonylContact O-C 3.48Å; R103-Y126 VanDerWaalsContact O-CA 3.29Å; R103-Y126 WeakPolarHBondContact O-CA 3.28Å; A104-Y126 HydrophobicContact CB-CD1 4.12Å; A104-Y126 HydrophobicContact CB-CE1 3.99Å; F112-Y126 PolarHBondContact N-OH 2.85Å; C120-Y126 WeakPolarHBondContact O-CE2 3.32Å; C120-Y126 PolarHBondContact O-OH 2.84Å; N122-Y126 VanDerWaalsContact O-CD2 3.29Å; N122-Y126 WeakPolarHBondContact O-CD2 3.36Å; Y124-Y126 VanDerWaalsContact C-N 3.26Å
127Q93.3Very high85.2Confident100 Ų10051.3 Ų51.347%0.46727%0.269SS..EExtended strand (participates in β ladder)trans-111.2140.1171-68.1176-10.600107.6L102 R103 V105L102-Q127 WeakPolarHBondContact CA-O 3.4Å; R103-Q127 PolarHBondContact N-O 2.86Å; R103-Q127 PolarHBondContact O-N 3.23Å; V105-Q127 HydrophobicContact CG1-CG 4.02Å
128R90.3Very high84.5Confident64 Ų6448.8 Ų48.824%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-75.9133.8173-172.5172.5-165.5178.23.9108.1W93 D95 E101 E130W93-R128 HydrophobicContact CD2-CB 3.88Å; W93-R128 HydrophobicContact CD2-CG 4.42Å; W93-R128 VanDerWaalsContact CE2-CB 3.43Å; W93-R128 HydrophobicContact CE3-CB 4.23Å; W93-R128 HydrophobicContact CH2-CB 3.77Å; W93-R128 HydrophobicContact CZ2-CB 3.37Å; W93-R128 HydrophobicContact CZ3-CB 4.19Å; D95-R128 IonicContact OD1-CZ 2.83Å; D95-R128 IonicContact OD1-NH1 2.61Å; D95-R128 PolarHBondContact OD1-NH1 2.91Å; D95-R128 IonicContact OD1-NH2 2.73Å; D95-R128 IonicContact OD2-CZ 3.28Å; D95-R128 IonicContact OD2-NH1 3.04Å; D95-R128 PolarHBondContact OD2-NH1 3.01Å; D95-R128 IonicContact OD2-NH2 2.64Å; D95-R128 PolarHBondContact OD2-NH2 3.07Å; E101-R128 CarbonylContact O-C 3.58Å; E101-R128 VanDerWaalsContact O-CA 3.31Å; E101-R128 WeakPolarHBondContact O-CA 3.04Å; E101-R128 IonicContact OE2-CZ 3.52Å; E101-R128 IonicContact OE2-NE 2.71Å; E101-R128 PolarHBondContact OE2-NE 3.29Å; E101-R128 IonicContact OE2-NH2 3.2Å; E101-R128 PolarHBondContact OE2-NH2 2.9Å; R128-E130 PolarHBondContact O-N 3.06Å
129I85.6Confident83.5Confident45 Ų4546 Ų4623%0.23124%0.242CC..  trans-77.7104.5170.8-60.1171.2000105.8H100 E101 R103 I299H100-I129 WeakPolarHBondContact O-CD1 3.44Å; E101-I129 PolarHBondContact O-N 3.2Å; R103-I129 HydrophobicContact CB-CD1 4.25Å; R103-I129 HydrophobicContact CB-CG1 4.09Å; I129-I299 HydrophobicContact CB-CG2 4.12Å; I129-I299 HydrophobicContact CD1-CG2 3.81Å; I129-I299 HydrophobicContact CG2-CG2 3.97Å
130E68.3Low82.3Confident166 Ų16648.4 Ų48.478%0.77626%0.258SS*.PPolyproline II helixtrans-71.8132.2173.5-68.3-179.6176.800109.3R128 P132R128-E130 PolarHBondContact O-N 3.06Å; E130-P132 WeakPolarHBondContact O-CD 3.44Å
131T62.4Low80.6Confident74 Ų7454.8 Ų54.845%0.45428%0.282SS..PPolyproline II helixtrans-69117.2166.333.30000107.8I133 G300T131-I133 PolarHBondContact O-N 2.74Å; T131-G300 VanDerWaalsContact CG2-CA 3.41Å
132P61.2Low78.6Confident46 Ų4662.5 Ų62.530%0.29932%0.318SS..PPolyproline II helixtrans-66135.3179.226-30.6000109.9E130 L134 G300 Q346E130-P132 WeakPolarHBondContact O-CD 3.44Å; P132-L134 PolarHBondContact O-N 3.06Å; P132-G300 WeakPolarHBondContact CD-O 3.39Å; P132-Q346 HydrophobicContact CB-CG 4.42Å; P132-Q346 VanDerWaalsContact CG-CD 3.5Å; P132-Q346 HydrophobicContact CG-CG 3.78Å
133I67Low75.9Confident167 Ų16768 Ų6886%0.85635%0.351SS*.PPolyproline II helixtrans-65.9119.8174.1-55.4172.2000107.5T131T131-I133 PolarHBondContact O-N 2.74Å
134L73.6Confident73.2Confident23 Ų2374 Ų7412%0.1238%0.383CS..PPolyproline II helixtrans-78.8132.8178.6-59.7173000109.4P132 Y226 N345 Q346 A349 W406P132-L134 PolarHBondContact O-N 3.06Å; L134-Y226 HydrophobicContact CD1-CD1 3.97Å; L134-Y226 HydrophobicContact CD1-CD2 4.18Å; L134-Y226 HydrophobicContact CD1-CE1 4.32Å; L134-Y226 HydrophobicContact CD1-CG 3.89Å; L134-N345 HydrophobicContact CD1-CB 3.8Å; L134-N345 HydrophobicContact CD2-CB 4.31Å; L134-Q346 HydrophobicContact CD2-CB 4.21Å; L134-Q346 HydrophobicContact CD2-CG 3.64Å; L134-A349 HydrophobicContact CD2-CB 4.26Å; L134-W406 HydrophobicContact CB-CH2 3.71Å; L134-W406 HydrophobicContact CB-CZ3 4.11Å; L134-W406 HydrophobicContact CD1-CE3 4.41Å; L134-W406 HydrophobicContact CD1-CH2 4.1Å; L134-W406 HydrophobicContact CD1-CZ3 3.59Å; L134-W406 HydrophobicContact CG-CH2 4.46Å; L134-W406 HydrophobicContact CG-CZ3 4.39Å
135P75.7Confident70.6Confident89 Ų8980.9 Ų80.958%0.57842%0.419SS*.PPolyproline II helixtrans-64.3146.7177.727.6-33.6000110.2W406P135-W406 WeakPolarHBondContact O-CZ2 3.48Å
136P71.1Confident67.8Low65 Ų6585.4 Ų85.442%0.42245%0.449SS..PPolyproline II helixtrans-62.6141.4174.626.6-32.8000110.6P223 V224 T225P136-P223 HydrophobicContact CB-CB 3.82Å; P136-P223 HydrophobicContact CG-CB 4.3Å; P136-V224 WeakPolarHBondContact CA-O 3.26Å; P136-T225 HydrophobicContact CB-CG2 4.29Å
137V78.6Confident65.4Low3 Ų390 Ų902%0.01849%0.488CS..EExtended strand (participates in β ladder)trans-82.6126.1172.3171.40000108.2V139 V224 L352 A353 V356 W406 V410V137-V139 HydrophobicContact CG1-CG2 4.47Å; V137-V224 PolarHBondContact N-O 2.92Å; V137-V224 PolarHBondContact O-N 3.42Å; V137-L352 HydrophobicContact CG1-CG 4.4Å; V137-L352 HydrophobicContact CG2-CB 4.49Å; V137-L352 HydrophobicContact CG2-CD2 3.99Å; V137-L352 HydrophobicContact CG2-CG 4Å; V137-A353 HydrophobicContact CG2-CB 4.37Å; V137-V356 HydrophobicContact CG1-CG2 3.77Å; V137-W406 HydrophobicContact CB-CZ2 4.44Å; V137-W406 HydrophobicContact CG2-CH2 4.29Å; V137-W406 HydrophobicContact CG2-CZ2 3.53Å; V137-V410 HydrophobicContact CB-CG2 4.22Å; V137-V410 HydrophobicContact CG1-CG2 3.93Å
138L79.1Confident62.8Low94 Ų9493.3 Ų93.349%0.49250%0.504SS..EExtended strand (participates in β ladder)trans-89.6119.5179.1-69.4-175.2000109.5P221 P223L138-P221 HydrophobicContact CB-CB 3.87Å; L138-P221 HydrophobicContact CB-CG 4.4Å; L138-P221 HydrophobicContact CD1-CG 4.14Å; L138-P221 HydrophobicContact CD2-CB 4.26Å; L138-P221 HydrophobicContact CD2-CG 4.3Å; L138-P221 HydrophobicContact CG-CB 4.43Å; L138-P223 HydrophobicContact CD2-CB 4.12Å
139V74.5Confident60.4Low3 Ų399.6 Ų99.62%0.01853%0.533CS..EExtended strand (participates in β ladder)trans-103.5117.8177.9-172.60000109.8V137 P221 Q222 V224 V356 V410 Q413 M414V137-V139 HydrophobicContact CG1-CG2 4.47Å; V139-P221 WeakPolarHBondContact O-CA 3.24Å; V139-Q222 PolarHBondContact N-O 3.04Å; V139-Q222 VanDerWaalsContact N-O 3.09Å; V139-Q222 PolarHBondContact O-N 3.1Å; V139-V224 HydrophobicContact CG2-CG2 3.96Å; V139-V356 HydrophobicContact CG1-CG1 4.47Å; V139-V410 HydrophobicContact CG2-CB 4.5Å; V139-V410 HydrophobicContact CG2-CG1 3.97Å; V139-V410 HydrophobicContact CG2-CG2 4.38Å; V139-Q413 HydrophobicContact CB-CB 4.35Å; V139-Q413 HydrophobicContact CG1-CB 4Å; V139-Q413 HydrophobicContact CG2-CB 4.45Å; V139-M414 HydrophobicContact CG1-CG 3.63Å
140P71.1Confident58.3Low52 Ų52102.6 Ų102.634%0.33856%0.555SS.*PPolyproline II helixtrans-63.7133.2171.6-19.732000110.7H142 V356P140-H142 PolarHBondContact O-N 3.46Å; P140-V356 HydrophobicContact CG-CG1 4.38Å
141R61.9Low57.1Low134 Ų134100.5 Ų100.551%0.50656%0.556SS.*PPolyproline II helixtrans-76.4116.1170.1-75.3-174.1174.8166.8-1.2109.4T143R141-T143 PolarHBondContact O-N 3.13Å
142H53.8Low56Low164 Ų164105.1 Ų105.176%0.75958%0.577SS**  trans-84.894.9158.8-76.9-76.2000108.2P140P140-H142 PolarHBondContact O-N 3.46Å
143T41.8Very low55Low114 Ų114109.5 Ų109.570%0.69960%0.598SS**  trans-92.5-2.816735.50000113.7R141R141-T143 PolarHBondContact O-N 3.13Å
144D38.5Very low53.7Low127 Ų127108.5 Ų108.568%0.67960%0.595SS**  trans-109109-175.1-57.9-35.1000110.7P146D144-P146 WeakPolarHBondContact O-CD 3.46Å
145I42.1Very low52.1Low161 Ų161117.4 Ų117.483%0.82663%0.628SS**  trans-60.9118.6152.4-59.1166.2000105A147I145-A147 PolarHBondContact O-N 2.97Å
146P36.9Very low50.1Low97 Ų97117.7 Ų117.763%0.6363%0.633SS**  trans-61.5117.6177.3-19.231.2000109.2D144 E148D144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-E148 PolarHBondContact O-N 3.37Å
147A46.3Very low48.8Very low102 Ų102119.4 Ų119.484%0.84364%0.643SS**SBendtrans-74.8-0.4175.200000113.1I145I145-A147 PolarHBondContact O-N 2.97Å
148E39.2Very low47Very low170 Ų170125 Ų12579%0.79468%0.683SS**  trans-133.9112.3175.5-77.4-179.1155.900109.9P146P146-E148 PolarHBondContact O-N 3.37Å
149F39.2Very low45.1Very low196 Ų196126.6 Ų126.686%0.8669%0.69SS**PPolyproline II helixtrans-69.7131163.8-69.7-86.2000108.3
150P41.6Very low43.4Very low107 Ų107131.7 Ų131.770%0.69572%0.724SS**PPolyproline II helixtrans-61.3142.6163.7-5.818.4000108.6L152P150-L152 PolarHBondContact O-N 3.29Å
151P42.9Very low42.2Very low123 Ų123138 Ų13880%0.79975%0.749SS**PPolyproline II helixtrans-58.3128.5171.924.2-30.7000108.8D153P151-D153 PolarHBondContact O-N 3.43Å
152L39.3Very low41.2Very low171 Ų171139.5 Ų139.590%0.89577%0.767SS**  trans-65115.4176.2-68.8168.1000108.7P150 D154P150-L152 PolarHBondContact O-N 3.29Å; L152-D154 PolarHBondContact O-N 3.27Å
153D40.3Very low40.4Very low138 Ų138137 Ų13774%0.73876%0.763SS**  trans-71.4123.6159.7-80.1-31.8000108.3P151 Y155P151-D153 PolarHBondContact O-N 3.43Å; D153-Y155 HydrophobicContact CB-CD2 4.21Å; D153-Y155 HydrophobicContact CB-CE2 4.19Å; D153-Y155 PolarHBondContact O-N 2.88Å
154D39.9Very low40.2Very low146 Ų146139.7 Ų139.778%0.78177%0.773SS**  trans-63.693.9178.2-170.215.7000110.3L152L152-D154 PolarHBondContact O-N 3.27Å
155Y39.4Very low40Very low209 Ų209141.9 Ų141.982%0.8278%0.777SS**  trans-10587.1166.9-85-86.5000109.5D153D153-Y155 HydrophobicContact CB-CD2 4.21Å; D153-Y155 HydrophobicContact CB-CE2 4.19Å; D153-Y155 PolarHBondContact O-N 2.88Å
156S34.5Very low39.7Very low96 Ų96140.4 Ų140.467%0.67178%0.778SS**  trans-60.2143.3157.5-76.70000110.5
157P44.3Very low39.5Very low100 Ų100141.8 Ų141.865%0.64979%0.79SS**  trans-92.8137-146.835.1-35000114.1I159P157-I159 HydrophobicContact CB-CG1 3.97Å; P157-I159 HydrophobicContact CG-CD1 4.2Å; P157-I159 HydrophobicContact CG-CG1 4.09Å; P157-I159 PolarHBondContact O-N 3.38Å
158S39.5Very low38.8Very low122 Ų122140.1 Ų140.185%0.85378%0.782SS**  trans-85.186.2156.557.60000109.3
159I41Very low38.5Very low126 Ų126140.3 Ų140.365%0.64679%0.787SS**  trans-75.8126.8170-57.4176000108.3P157 E161P157-I159 HydrophobicContact CB-CG1 3.97Å; P157-I159 HydrophobicContact CG-CD1 4.2Å; P157-I159 HydrophobicContact CG-CG1 4.09Å; P157-I159 PolarHBondContact O-N 3.38Å; I159-E161 PolarHBondContact O-N 3.35Å
160P37.4Very low38.1Very low110 Ų110139.5 Ų139.571%0.71479%0.786SS**  trans-70.2125.6166.7-13.628.4000110.4N162P160-N162 PolarHBondContact O-N 3.19Å
161E46.4Very low37.7Very low186 Ų186140.5 Ų140.587%0.86979%0.792SS**SBendtrans-59.794.6173.1-73.5176.2139.500110.8I159I159-E161 PolarHBondContact O-N 3.35Å
162N40.3Very low37Very low164 Ų164143.6 Ų143.688%0.87780%0.796SS**  trans-160.818.3161.4-91.1-36.5000115.1P160P160-N162 PolarHBondContact O-N 3.19Å
163T36.4Very low36.6Very low111 Ų111140.1 Ų140.168%0.68179%0.786SS**  trans-116.4103.5173.438.10000110.5
164N38Very low36.1Very low171 Ų171141.7 Ų141.791%0.91479%0.794SS**  trans-98.2110.6170.3-125.517.7000108.6
165F34.8Very low35.6Very low174 Ų174145.1 Ų145.176%0.76380%0.798SS**  trans-119.8139.1163.1-81.7-83.6000108.6S167F165-S167 PolarHBondContact O-N 2.85Å
166P36.5Very low35.3Very low129 Ų129142.8 Ų142.884%0.83880%0.798SS**  trans-72.5123.9-174.628.6-32.4000111.2
167S33.1Very low35.3Very low127 Ų127143.8 Ų143.889%0.88880%0.802SS**  trans-81.6139.4176.7-43.20000111.6F165F165-S167 PolarHBondContact O-N 2.85Å
168G30Very low34.8Very low66 Ų66148.1 Ų148.168%0.6881%0.814SS**  trans171.4102.7163.600000113.3
169I32.7Very low34.5Very low174 Ų174148.6 Ų148.689%0.89281%0.812SS**  trans156.4112.9134-74.1153.6000108.1
170E31.9Very low34.6Very low180 Ų180148 Ų14884%0.84182%0.816SS**PPolyproline II helixtrans-69.3149174.7-60.1175.3132.300111.8
171P33.1Very low34.7Very low128 Ų128148.7 Ų148.783%0.83182%0.82SS**PPolyproline II helixtrans-97122.1164.128.6-16.8000111.3
172Q28.9Very low34.2Very low188 Ų188145.9 Ų145.988%0.87982%0.819SS**PPolyproline II helixtrans-72.9139.5165.7-77.4179.9-33.100111.2
173S30.7Very low34Very low98 Ų98141.3 Ų141.369%0.68581%0.81SS**  trans-39.2140.1166.249.70000115.9
174N30.1Very low33.8Very low170 Ų170146.1 Ų146.191%0.90982%0.817SS**  trans-153.6135.3143.3-95.9-26.4000112.3
175Y29.2Very low33.4Very low218 Ų218144.7 Ų144.786%0.85581%0.809SS**  trans-78.6173.3-179.2-95.6-100.6000113.3
176I33.5Very low33.7Very low161 Ų161141.6 Ų141.683%0.82681%0.808SS**  trans128140149.4-62.6159.2000112.1
177P32.8Very low33.5Very low116 Ų116143.8 Ų143.875%0.75381%0.807SS**  -126.2-175.2-109.425.82.3000114.4
178E33.5Very low33.7Very low191 Ų191144.8 Ų144.889%0.89380%0.803SS**  trans-58.9142.6178.8-63.2-173121.200115.7
179T34.9Very low33.6Very low132 Ų132145.3 Ų145.381%0.8181%0.808SS**  trans-149.1135.5151.736.90000110.1
180P41.9Very low33.5Very low115 Ų115145.9 Ų145.975%0.74781%0.807SS**PPolyproline II helixtrans-90.6157.2178.636-32.2000111.9
181P40Very low33.5Very low123 Ų123143.7 Ų143.780%0.79981%0.806SS**PPolyproline II helixtrans-80.2139.3164.9-7.725.2000111.1
182P36.1Very low33.3Very low128 Ų128144.2 Ų144.283%0.83180%0.802SS**PPolyproline II helixtrans-80.6143.4178.38.67.2000112
183G35.1Very low33.3Very low67 Ų67141.5 Ų141.569%0.69179%0.794SS**PPolyproline II helixtrans-80.7149.4158.500000111.1
184Y33Very low33.4Very low213 Ų213144.5 Ų144.584%0.83580%0.796SS**  trans-166.7126.4148.3-127.4-122.9000112
185L30.3Very low33.5Very low141 Ų141144.8 Ų144.874%0.73879%0.793SS**  trans63.5129.7141.8-67-178.7000124.6
186S39.9Very low33.4Very low108 Ų108142 Ų14276%0.75579%0.791SS**  trans-81.6161.1161-410000112.9
187E33.5Very low33.2Very low175 Ų175140.6 Ų140.682%0.81879%0.786SS**  trans179.8149.8148-98178.7114.400105.3
188D35.5Very low33Very low149 Ų149146.8 Ų146.880%0.79779%0.794SS**  cis-170.4161-19.1-105.9-12.9000105.3
189G29.1Very low32.9Very low77 Ų77144.8 Ų144.879%0.79479%0.79SS**  trans163.491.3167.600000116.1
190E31.1Very low32.8Very low186 Ų186147.8 Ų147.887%0.86980%0.797SS**  trans-65.4157.2-179.8-56.1173.9111.900115.3
191T30.3Very low32.2Very low133 Ų133149.5 Ų149.582%0.81680%0.8SS**  178.6128.9115.528.80000114.7
192N30.2Very low31.5Very low140 Ų140149.9 Ų149.975%0.74980%0.8SS**  trans66.5104147.7-80.98.8000124.2
193D29.3Very low31.2Very low131 Ų131149.4 Ų149.470%0.70180%0.799SS**  37.4125.5110.8-81.3-35.8000121
194H33.1Very low30.9Very low160 Ų160154.1 Ų154.174%0.74181%0.808SS**  -176.1128.5101.1-91.2-59.5000114.6
195Q31.2Very low31.3Very low177 Ų177149.3 Ų149.383%0.82780%0.803SS**  trans88.4109.1137.2-77178.83.500123
196L28.1Very low31.1Very low158 Ų158147.3 Ų147.383%0.82780%0.801SS**  trans-66.8157.1159.9-88.2133.3000115.4
197N28.8Very low30.6Very low133 Ų133149.6 Ų149.671%0.71180%0.804SS**  trans79.9121.7140.1-100.7-6.5000121.2
198R28.8Very low30.4Very low245 Ų245146.2 Ų146.293%0.92580%0.799SS**  -168.7129.2109.5-105.2173178.4-166.2-0.8113.5
199N30.9Very low30.4Very low150 Ų150145 Ų14580%0.80280%0.799SS**  trans-79.5147.4161.9-66.4-9.2000110.7
200M32.9Very low30.5Very low195 Ų195148.9 Ų148.996%0.96180%0.802SS**  trans-168.2133134.9-117.8-171.5-18000112.3
201D28.2Very low30.8Very low151 Ų151145.2 Ų145.281%0.80779%0.794SS**  trans-62.4154.1169-78.2-50.8000112.9
202T27Very low30.9Very low131 Ų131145.6 Ų145.680%0.80480%0.796SS**  161.8140.5109.7-50.50000111.3
203S28.5Very low30.9Very low117 Ų117144.1 Ų144.182%0.81880%0.797SS**  trans96.7108.3157.471.80000120.4
204L29.9Very low31.3Very low166 Ų166143 Ų14387%0.86980%0.797SS**  trans-72.7171160-76.5154.4000110.6
205P41.3Very low31.5Very low113 Ų113141.9 Ų141.973%0.73480%0.801SS**  cis-145.1174.321.637.2-14.9000117.9
206S26.4Very low31.7Very low99 Ų99139.7 Ų139.769%0.69280%0.795SS**  trans127.3124.4132.584.50000118.3
207L27.9Very low32.3Very low156 Ų156139.3 Ų139.382%0.81779%0.794SS**  trans67.893.7139.4-63.8159.9000120
208S31Very low32.8Very low104 Ų104137.4 Ų137.473%0.72778%0.784SS**  145.5137.1111.2-60.10000112.2
209P34.3Very low33.8Very low122 Ų122130.1 Ų130.179%0.79277%0.77SS**PPolyproline II helixtrans-86.6116.7-174.632.7-29.8000111.4
210N31.4Very low35Very low160 Ų160127.4 Ų127.486%0.85676%0.756SS**PPolyproline II helixtrans-86.6123.2159.1-85-16.6000108.5V212N210-V212 PolarHBondContact O-N 2.72Å
211P37.3Very low36.5Very low108 Ų108120.8 Ų120.870%0.70173%0.727SS**PPolyproline II helixtrans-71.1123.7174.628.2-30000109.1S213P211-S213 PolarHBondContact O-N 2.87Å
212V31.6Very low38.6Very low142 Ų142117.5 Ų117.586%0.86171%0.707SS**  trans-47.8111.2158.6-89.70000108.8N210N210-V212 PolarHBondContact O-N 2.72Å
213S31.4Very low40.9Very low108 Ų108115.1 Ų115.176%0.75569%0.694SS**  trans-70.9128.6167.1-58.90000107.5P211P211-S213 PolarHBondContact O-N 2.87Å
214P38.2Very low43.2Very low108 Ų108109.7 Ų109.770%0.70166%0.656SS**  trans-63.6141.717227.4-31000108.4N216P214-N216 PolarHBondContact O-N 3.36Å
215T36Very low45.4Very low136 Ų136105.9 Ų105.983%0.83464%0.64SS**  trans-5398.8167.743.80000109.3N217T215-N217 PolarHBondContact O-N 2.92Å; T215-N217 VanDerWaalsContact O-N 3.09Å
216N36.2Very low47.1Very low131 Ų131102.8 Ų102.870%0.70161%0.614SS**  trans-65.8106.3166.2-108.113.2000106.8P214 N218P214-N216 PolarHBondContact O-N 3.36Å; N216-N218 PolarHBondContact ND2-OD1 3Å; N216-N218 PolarHBondContact O-N 2.92Å
217N40.6Very low49.2Very low150 Ų150100.5 Ų100.580%0.80260%0.597SS**  trans-63.387.9153.2-84.7-8.4000106.6T215 S219T215-N217 PolarHBondContact O-N 2.92Å; T215-N217 VanDerWaalsContact O-N 3.09Å; N217-S219 VanDerWaalsContact C-N 3.27Å; N217-S219 PolarHBondContact O-N 3.44Å
218N38.6Very low51.4Low93 Ų9398.7 Ų98.750%0.49758%0.584SS.*  trans-70.790.3169.7-99.821.3000108.1N216 D220N216-N218 PolarHBondContact ND2-OD1 3Å; N216-N218 PolarHBondContact O-N 2.92Å; N218-D220 PolarHBondContact ND2-OD2 2.77Å; N218-D220 PolarHBondContact O-N 3.34Å
219S50.9Low53.7Low92 Ų9295.7 Ų95.764%0.64356%0.564SS**  trans-69.951.2154.245.80000110N217 P221N217-S219 VanDerWaalsContact C-N 3.27Å; N217-S219 PolarHBondContact O-N 3.44Å; S219-P221 WeakPolarHBondContact O-CD 3.16Å
220D56.2Low55.8Low93 Ų9393.9 Ų93.950%0.49756%0.559SS.*PPolyproline II helixtrans-66.5121.1176.7-80.2-27000108.5N218 Q222N218-D220 PolarHBondContact ND2-OD2 2.77Å; N218-D220 PolarHBondContact O-N 3.34Å; D220-Q222 PolarHBondContact O-N 3.47Å
221P64.7Low58.6Low56 Ų5690.5 Ų90.536%0.36454%0.537SS..PPolyproline II helixtrans-64.1132.6177.425.1-32000109.8L138 V139 S219L138-P221 HydrophobicContact CB-CB 3.87Å; L138-P221 HydrophobicContact CB-CG 4.4Å; L138-P221 HydrophobicContact CD1-CG 4.14Å; L138-P221 HydrophobicContact CD2-CB 4.26Å; L138-P221 HydrophobicContact CD2-CG 4.3Å; L138-P221 HydrophobicContact CG-CB 4.43Å; V139-P221 WeakPolarHBondContact O-CA 3.24Å; S219-P221 WeakPolarHBondContact O-CD 3.16Å
222Q70.4Confident61.2Low82 Ų8286.5 Ų86.538%0.38351%0.508SS..EExtended strand (participates in β ladder)trans-80129.9176.8-79.3-160.1-34.500110.7V139 D220V139-Q222 PolarHBondContact N-O 3.04Å; V139-Q222 VanDerWaalsContact N-O 3.09Å; V139-Q222 PolarHBondContact O-N 3.1Å; D220-Q222 PolarHBondContact O-N 3.47Å
223P76.9Confident64.2Low81 Ų8179.7 Ų79.753%0.52647%0.467SS..EExtended strand (participates in β ladder)trans-79.1123.2175.930-32.3000111.1P136 L138P136-P223 HydrophobicContact CB-CB 3.82Å; P136-P223 HydrophobicContact CG-CB 4.3Å; L138-P223 HydrophobicContact CD2-CB 4.12Å
224V76.7Confident67.3Low4 Ų475.2 Ų75.22%0.02444%0.435CS..EExtended strand (participates in β ladder)trans-101.3111.7170.8-175.70000109.7P136 V137 V139 W406 K409 V410 Q413P136-V224 WeakPolarHBondContact CA-O 3.26Å; V137-V224 PolarHBondContact N-O 2.92Å; V137-V224 PolarHBondContact O-N 3.42Å; V139-V224 HydrophobicContact CG2-CG2 3.96Å; V224-W406 PolarHBondContact O-NE1 3.39Å; V224-K409 HydrophobicContact CG1-CB 3.52Å; V224-K409 HydrophobicContact CG1-CD 4.04Å; V224-K409 HydrophobicContact CG1-CG 4.46Å; V224-V410 HydrophobicContact CB-CG2 4.18Å; V224-V410 HydrophobicContact CG1-CG2 4.12Å; V224-V410 HydrophobicContact CG2-CG2 4.3Å; V224-Q413 VanDerWaalsContact CG2-CD 3.47Å
225T75.8Confident70.2Confident86 Ų8670 Ų7053%0.52840%0.402SS..  trans-86.6142179.355.50000112.4P136P136-T225 HydrophobicContact CB-CG2 4.29Å
226Y76.8Confident73.2Confident47 Ų4764 Ų6418%0.18437%0.365CS..  trans-70.7140.1171.4-178.7-100.7000110.7L134 E228 W406L134-Y226 HydrophobicContact CD1-CD1 3.97Å; L134-Y226 HydrophobicContact CD1-CD2 4.18Å; L134-Y226 HydrophobicContact CD1-CE1 4.32Å; L134-Y226 HydrophobicContact CD1-CG 3.89Å; Y226-E228 HydrophobicContact CE1-CG 3.78Å; Y226-W406 HydrophobicContact CD2-CB 3.99Å; Y226-W406 AromaticContact CD2-CD2 3.74Å; Y226-W406 HydrophobicContact CD2-CD2 3.74Å; Y226-W406 AromaticContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CG 4.04Å; Y226-W406 HydrophobicContact CD2-CZ3 4.03Å; Y226-W406 HydrophobicContact CE2-CE3 4.19Å; Y226-W406 HydrophobicContact CG-CD2 4.36Å; Y226-W406 HydrophobicContact CG-CE3 4.11Å; Y226-W406 HydrophobicContact CG-CZ3 4.39Å
227C70Confident76.1Confident51 Ų5157.9 Ų57.935%0.34533%0.332SS..  trans-129.6136.7171.8-57.30000108.8K409C227-K409 PolarHBondContact SG-NZ 2.93Å
228E73.8Confident78.9Confident118 Ų11852.6 Ų52.655%0.55130%0.301SS*.  trans-71.5137.6173.6-71.9-165.4148.200110.9Y226 Y298Y226-E228 HydrophobicContact CE1-CG 3.78Å; E228-Y298 PolarHBondContact OE1-OH 2.73Å
229S79.9Confident81.8Confident42 Ų4248.3 Ų48.329%0.29428%0.278SS..  trans-86.5147177-172.90000110.8F231S229-F231 WeakPolarHBondContact CB-O 3.35Å; S229-F231 PolarHBondContact O-N 3.26Å; S229-F231 PolarHBondContact OG-O 2.82Å
230A78.6Confident84Confident83 Ų8346.5 Ų46.569%0.68626%0.261SS*.SBendtrans-59.4-29.8176.600000112.9
231F89.3Confident85.9Confident90 Ų9048.3 Ų48.340%0.39527%0.271SS..SBendtrans-116.2117.4167.3-59.4-82.7000107.7S229 C233 H249 A250 N401S229-F231 WeakPolarHBondContact CB-O 3.35Å; S229-F231 PolarHBondContact O-N 3.26Å; S229-F231 PolarHBondContact OG-O 2.82Å; F231-C233 VanDerWaalsContact C-N 3.33Å; F231-C233 PolarHBondContact O-N 2.9Å; F231-H249 HydrophobicContact CB-CB 4.43Å; F231-H249 HydrophobicContact CD1-CB 3.64Å; F231-H249 HydrophobicContact CE1-CB 3.95Å; F231-H249 HydrophobicContact CG-CB 3.97Å; F231-A250 CarbonylContact C-O 3.51Å; F231-A250 WeakPolarHBondContact CA-O 3.31Å; F231-N401 VanDerWaalsContact O-CB 3.26Å; F231-N401 WeakPolarHBondContact O-CB 3.39Å; F231-N401 PolarHBondContact O-ND2 3.11Å
232W92.1Very high87.5Confident23 Ų2348.9 Ų48.99%0.08727%0.268CS..SBendtrans-74.2-26.9-175.167.2-91.5000112.4A250 Q252 L255 L296 Y298 V303 L400 N401W232-A250 HydrophobicContact CZ2-CB 4.29Å; W232-A250 PolarHBondContact N-O 2.84Å; W232-Q252 PolarHBondContact NE1-O 3.24Å; W232-L255 HydrophobicContact CH2-CD2 4.46Å; W232-L255 HydrophobicContact CZ2-CD2 3.73Å; W232-L296 HydrophobicContact CH2-CB 4.12Å; W232-Y298 HydrophobicContact CB-CD1 4.46Å; W232-Y298 HydrophobicContact CD2-CG 4.42Å; W232-Y298 HydrophobicContact CE3-CG 4.41Å; W232-V303 HydrophobicContact CE3-CG2 4.46Å; W232-V303 HydrophobicContact CH2-CG1 4.11Å; W232-V303 HydrophobicContact CZ3-CG1 3.81Å; W232-V303 HydrophobicContact CZ3-CG2 4.03Å; W232-L400 HydrophobicContact CE3-CD2 4.23Å; W232-L400 HydrophobicContact CZ3-CD2 4.01Å; W232-N401 PolarHBondContact O-N 2.8Å
233C95.8Very high88.8Confident0 Ų051.3 Ų51.30%027%0.274CS..EExtended strand (participates in β ladder)trans-144.9162.217072.20000113.7F231 A250 H399 L400F231-C233 VanDerWaalsContact C-N 3.33Å; F231-C233 PolarHBondContact O-N 2.9Å; C233-A250 PolarHBondContact O-N 2.87Å; C233-A250 WeakPolarHBondContact SG-CB 3.22Å; C233-H399 CarbonylContact C-O 3.57Å; C233-H399 WeakPolarHBondContact CA-O 3.42Å; C233-H399 VanDerWaalsContact CB-O 3.22Å; C233-H399 WeakPolarHBondContact CB-O 3.21Å; C233-L400 HydrophobicContact CB-CD2 4.09Å
234S97Very high89.8Confident13 Ų1347.7 Ų47.79%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-121.2142.3166.354.40000110.1F248 L398 H399 N401S234-F248 CarbonylContact C-O 3.53Å; S234-F248 VanDerWaalsContact CA-O 3.3Å; S234-F248 WeakPolarHBondContact CA-O 3.35Å; S234-L398 CarbonylContact O-C 3.38Å; S234-L398 WeakPolarHBondContact O-CA 3.48Å; S234-H399 PolarHBondContact N-O 3.25Å; S234-H399 PolarHBondContact O-N 2.92Å; S234-H399 WeakPolarHBondContact OG-CB 3.47Å; S234-N401 PolarHBondContact OG-OD1 3.18Å
235I98.3Very high90.7Very high0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-127.3124.9-173.3-47.9-176.1000109.7T247 F248 L255 V257 F269 L296 I396 E397 L398I235-T247 WeakPolarHBondContact O-CA 3.35Å; I235-F248 HydrophobicContact CB-CB 4.43Å; I235-F248 PolarHBondContact N-O 2.74Å; I235-F248 PolarHBondContact O-N 2.81Å; I235-L255 HydrophobicContact CD1-CD1 3.76Å; I235-L255 HydrophobicContact CD1-CD2 3.93Å; I235-V257 HydrophobicContact CD1-CG2 3.88Å; I235-F269 HydrophobicContact CB-CD1 4.14Å; I235-F269 HydrophobicContact CB-CE1 4.15Å; I235-F269 HydrophobicContact CG2-CD1 3.97Å; I235-F269 HydrophobicContact CG2-CE1 3.9Å; I235-L296 HydrophobicContact CD1-CD1 3.73Å; I235-I396 HydrophobicContact CG2-CB 3.83Å; I235-I396 HydrophobicContact CG2-CD1 4.05Å; I235-I396 HydrophobicContact CG2-CG1 4.44Å; I235-I396 HydrophobicContact CG2-CG2 4.07Å; I235-E397 CarbonylContact C-O 3.5Å; I235-E397 WeakPolarHBondContact CA-O 3.3Å; I235-L398 HydrophobicContact CD1-CG 4.41Å; I235-L398 HydrophobicContact CG1-CG 4.2Å; I235-L398 HydrophobicContact CG2-CD1 4.31Å
236S98.4Very high91.6Very high10 Ų1053.5 Ų53.57%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-113.2131.2175.5-60.30000110.2T247 I396 E397S236-T247 PolarHBondContact OG-OG1 3.24Å; S236-I396 CarbonylContact O-C 3.59Å; S236-I396 VanDerWaalsContact O-CA 3.24Å; S236-I396 WeakPolarHBondContact O-CA 3.39Å; S236-E397 PolarHBondContact N-O 3.46Å; S236-E397 PolarHBondContact O-N 3.21Å
237Y98.6Very high92.5Very high1 Ų152.7 Ų52.70%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-96.9142.6178.8173.5-114.6000111.7E239 V244 L271 L274 R287 C394 W395 I396Y237-E239 HydrophobicContact CE1-CG 3.68Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.36Å; Y237-E239 WeakPolarHBondContact OH-CG 3.27Å; Y237-E239 PolarHBondContact OH-OE1 3.2Å; Y237-V244 HydrophobicContact CD1-CB 3.74Å; Y237-V244 HydrophobicContact CD1-CG1 4.02Å; Y237-V244 HydrophobicContact CE1-CB 3.92Å; Y237-V244 HydrophobicContact CE1-CG1 3.97Å; Y237-V244 PolarHBondContact O-N 3.12Å; Y237-L271 HydrophobicContact CD1-CD2 4.18Å; Y237-L271 HydrophobicContact CD2-CD1 3.75Å; Y237-L271 HydrophobicContact CD2-CD2 3.82Å; Y237-L271 HydrophobicContact CD2-CG 4.33Å; Y237-L271 HydrophobicContact CE2-CD1 3.78Å; Y237-L271 HydrophobicContact CE2-CD2 4.44Å; Y237-L271 HydrophobicContact CG-CD1 4.45Å; Y237-L271 HydrophobicContact CG-CD2 3.67Å; Y237-L274 HydrophobicContact CD1-CD1 3.57Å; Y237-L274 HydrophobicContact CE1-CD1 4.26Å; Y237-L274 HydrophobicContact CG-CD1 4.24Å; Y237-R287 PolarHBondContact OH-NH1 3.03Å; Y237-R287 VanDerWaalsContact OH-NH1 3.13Å; Y237-C394 HydrophobicContact CE2-CB 4.08Å; Y237-C394 PolarHBondContact OH-SG 3.44Å; Y237-W395 VanDerWaalsContact CD2-O 3.27Å; Y237-W395 WeakPolarHBondContact CD2-O 3.4Å; Y237-I396 HydrophobicContact CD2-CG2 3.88Å
238Y98.6Very high93.7Very high39 Ų3951.9 Ų51.915%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-135.3142.9-177.7-66.1-95.1000111.2Q242 R243 W395 E397Y238-Q242 CarbonylContact C-O 3.51Å; Y238-Q242 VanDerWaalsContact CA-O 3.26Å; Y238-Q242 WeakPolarHBondContact CA-O 3.44Å; Y238-R243 VanDerWaalsContact CD1-CA 3.49Å; Y238-R243 HydrophobicContact CD1-CB 3.86Å; Y238-R243 HydrophobicContact CD1-CG 4.44Å; Y238-R243 HydrophobicContact CE1-CB 3.57Å; Y238-R243 HydrophobicContact CE1-CG 4.03Å; Y238-W395 HydrophobicContact CD1-CH2 4.16Å; Y238-W395 AromaticContact CD1-CZ2 3.82Å; Y238-W395 HydrophobicContact CD1-CZ2 3.82Å; Y238-W395 HydrophobicContact CD2-CD2 4.29Å; Y238-W395 HydrophobicContact CD2-CE3 4.12Å; Y238-W395 AromaticContact CD2-CH2 3.62Å; Y238-W395 HydrophobicContact CD2-CH2 3.62Å; Y238-W395 AromaticContact CD2-CZ2 3.81Å; Y238-W395 HydrophobicContact CD2-CZ2 3.81Å; Y238-W395 AromaticContact CD2-CZ3 3.8Å; Y238-W395 HydrophobicContact CD2-CZ3 3.8Å; Y238-W395 HydrophobicContact CE1-CH2 4.44Å; Y238-W395 HydrophobicContact CE1-CZ2 4.48Å; Y238-W395 AromaticContact CE2-CH2 3.91Å; Y238-W395 HydrophobicContact CE2-CH2 3.91Å; Y238-W395 HydrophobicContact CE2-CZ2 4.46Å; Y238-W395 HydrophobicContact CE2-CZ3 4.14Å; Y238-W395 HydrophobicContact CG-CD2 4.3Å; Y238-W395 AromaticContact CG-CE2 3.76Å; Y238-W395 AromaticContact CG-CH2 3.76Å; Y238-W395 HydrophobicContact CG-CH2 3.76Å; Y238-W395 AromaticContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ2 3.46Å; Y238-W395 VanDerWaalsContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ3 4.31Å; Y238-W395 PolarHBondContact N-O 3.16Å; Y238-W395 PolarHBondContact O-N 3.15Å; Y238-E397 HydrophobicContact CD2-CB 4.45Å; Y238-E397 HydrophobicContact CE2-CB 3.87Å
239E98.4Very high94.7Very high4 Ų451 Ų512%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-115.2113.4166.3-67.4179.4-178.300107.3Y237 N241 Q242 V244 N276 R279 V283 R287 P393Y237-E239 HydrophobicContact CE1-CG 3.68Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.36Å; Y237-E239 WeakPolarHBondContact OH-CG 3.27Å; Y237-E239 PolarHBondContact OH-OE1 3.2Å; E239-N241 PolarHBondContact O-N 2.86Å; E239-Q242 PolarHBondContact N-O 2.93Å; E239-Q242 PolarHBondContact O-N 3.14Å; E239-V244 HydrophobicContact CB-CG2 3.94Å; E239-V244 HydrophobicContact CG-CG2 3.91Å; E239-N276 WeakPolarHBondContact OE2-CB 3.12Å; E239-N276 PolarHBondContact OE2-ND2 2.8Å; E239-R279 IonicContact OE1-CZ 2.79Å; E239-R279 IonicContact OE1-NE 2.65Å; E239-R279 PolarHBondContact OE1-NE 3.35Å; E239-R279 IonicContact OE1-NH2 2.92Å; E239-R279 PolarHBondContact OE1-NH2 3.39Å; E239-R279 IonicContact OE2-CZ 2.88Å; E239-R279 IonicContact OE2-NE 3.79Å; E239-R279 PolarHBondContact OE2-NE 3Å; E239-R279 IonicContact OE2-NH2 3.53Å; E239-V283 HydrophobicContact CB-CG1 4.08Å; E239-V283 VanDerWaalsContact CD-CG1 3.44Å; E239-V283 HydrophobicContact CG-CG1 3.72Å; E239-V283 WeakPolarHBondContact OE2-CG1 3.44Å; E239-R287 WeakPolarHBondContact OE1-CD 3.39Å; E239-R287 IonicContact OE1-CZ 3.37Å; E239-R287 IonicContact OE1-NE 3.21Å; E239-R287 IonicContact OE1-NH1 3.72Å; E239-R287 PolarHBondContact OE1-NH1 3.21Å; E239-P393 VanDerWaalsContact CA-O 3.3Å; E239-P393 WeakPolarHBondContact CA-O 3.37Å
240L97.7Very high95.2Very high54 Ų5449 Ų4928%0.28326%0.255SS..THydrogen-bonded Turntrans56.3-120.2-170.4-55.8168.7000111.5V283 T390 T392 W395L240-V283 HydrophobicContact CD1-CG2 4.47Å; L240-V283 HydrophobicContact CG-CG2 4.32Å; L240-T390 CarbonylContact C-O 3.54Å; L240-T390 WeakPolarHBondContact CA-O 3.46Å; L240-T390 WeakPolarHBondContact O-CA 3.45Å; L240-T392 WeakPolarHBondContact CA-O 3.23Å; L240-T392 PolarHBondContact N-O 3.37Å; L240-W395 PolarHBondContact O-NE1 3.43Å
241N97.1Very high95.6Very high130 Ų13047.6 Ų47.670%0.69524%0.24SC*.THydrogen-bonded Turntrans-96.13.5176.365.7-25.1000113.4E239 T390E239-N241 PolarHBondContact O-N 2.86Å; N241-T390 HydrophobicContact CB-CG2 4.22Å
242Q97.5Very high95.5Very high68 Ų6846.4 Ų46.432%0.31824%0.236SC..EExtended strand (participates in β ladder)trans-102.7130.3-175.8-173.4177.1-2.900111Y238 E239 N276 N278Y238-Q242 CarbonylContact C-O 3.51Å; Y238-Q242 VanDerWaalsContact CA-O 3.26Å; Y238-Q242 WeakPolarHBondContact CA-O 3.44Å; E239-Q242 PolarHBondContact N-O 2.93Å; E239-Q242 PolarHBondContact O-N 3.14Å; Q242-N276 PolarHBondContact OE1-OD1 3.23Å; Q242-N278 PolarHBondContact NE2-ND2 3.13Å; Q242-N278 PolarHBondContact OE1-ND2 3.05Å
243R97.9Very high95.2Very high134 Ų13446.5 Ų46.551%0.50624%0.239SC..EExtended strand (participates in β ladder)trans-72.1133.8170.4-172.3171.5169.1-164.8-5.1109.9Y238 T247Y238-R243 VanDerWaalsContact CD1-CA 3.49Å; Y238-R243 HydrophobicContact CD1-CB 3.86Å; Y238-R243 HydrophobicContact CD1-CG 4.44Å; Y238-R243 HydrophobicContact CE1-CB 3.57Å; Y238-R243 HydrophobicContact CE1-CG 4.03Å; R243-T247 PolarHBondContact NH2-OG1 3Å
244V97.9Very high95Very high5 Ų547.7 Ų47.73%0.0325%0.247CC..  trans-128.6122.3-176178.30000109.6Y237 E239 L274 N276Y237-V244 HydrophobicContact CD1-CB 3.74Å; Y237-V244 HydrophobicContact CD1-CG1 4.02Å; Y237-V244 HydrophobicContact CE1-CB 3.92Å; Y237-V244 HydrophobicContact CE1-CG1 3.97Å; Y237-V244 PolarHBondContact O-N 3.12Å; E239-V244 HydrophobicContact CB-CG2 3.94Å; E239-V244 HydrophobicContact CG-CG2 3.91Å; V244-L274 HydrophobicContact CG1-CB 4.01Å; V244-N276 HydrophobicContact CG1-CB 4.02Å; V244-N276 HydrophobicContact CG2-CB 4.01Å
245G95.4Very high94.9Very high41 Ų4147.1 Ų47.142%0.42324%0.244SC..SBendtrans79.3-177.4-178.600000114.3
246E93.9Very high94.9Very high170 Ų17048.5 Ų48.579%0.79425%0.252SS*.PPolyproline II helixtrans-82160.3178-62.1-176.9164.600111.7
247T96.1Very high94.8Very high30 Ų3048 Ų4818%0.18425%0.249CC..PPolyproline II helixtrans-75.8128.1172.2-69.40000110I235 S236 R243 H249I235-T247 WeakPolarHBondContact O-CA 3.35Å; S236-T247 PolarHBondContact OG-OG1 3.24Å; R243-T247 PolarHBondContact NH2-OG1 3Å; T247-H249 PolarHBondContact O-CE1 2.88Å; T247-H249 PolarHBondContact O-ND1 3.01Å; T247-H249 VanDerWaalsContact O-ND1 3.14Å
248F95.6Very high94.8Very high34 Ų3448.2 Ų48.215%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-83.8135.8174.4-173.8-89.7000110.4S234 I235 A250 L255 S266 F269S234-F248 CarbonylContact C-O 3.53Å; S234-F248 VanDerWaalsContact CA-O 3.3Å; S234-F248 WeakPolarHBondContact CA-O 3.35Å; I235-F248 HydrophobicContact CB-CB 4.43Å; I235-F248 PolarHBondContact N-O 2.74Å; I235-F248 PolarHBondContact O-N 2.81Å; F248-A250 HydrophobicContact CE1-CB 4.37Å; F248-L255 HydrophobicContact CE1-CD2 4.34Å; F248-S266 WeakPolarHBondContact CZ-O 3.37Å; F248-F269 HydrophobicContact CB-CB 4.22Å; F248-F269 HydrophobicContact CB-CD1 3.57Å; F248-F269 HydrophobicContact CB-CD2 3.89Å; F248-F269 HydrophobicContact CB-CE1 3.77Å; F248-F269 HydrophobicContact CB-CE2 4.08Å; F248-F269 HydrophobicContact CB-CG 3.63Å; F248-F269 HydrophobicContact CB-CZ 4.02Å; F248-F269 HydrophobicContact CD1-CB 4.13Å; F248-F269 HydrophobicContact CD1-CG 4.46Å; F248-F269 HydrophobicContact CD2-CB 3.77Å; F248-F269 AromaticContact CD2-CD2 3.91Å; F248-F269 HydrophobicContact CD2-CD2 3.91Å; F248-F269 AromaticContact CD2-CG 3.87Å; F248-F269 HydrophobicContact CD2-CG 3.87Å; F248-F269 HydrophobicContact CE1-CB 4.44Å; F248-F269 HydrophobicContact CE2-CB 4.09Å; F248-F269 HydrophobicContact CG-CB 3.77Å; F248-F269 HydrophobicContact CG-CD1 4.07Å; F248-F269 HydrophobicContact CG-CD2 4.13Å; F248-F269 AromaticContact CG-CG 3.74Å; F248-F269 HydrophobicContact CG-CG 3.74Å; F248-F269 HydrophobicContact CZ-CB 4.41Å
249H94.2Very high94.7Very high99 Ų9947.3 Ų47.346%0.45825%0.252SS..EExtended strand (participates in β ladder)trans-115.4121.4-179.8-6383000110F231 T247F231-H249 HydrophobicContact CB-CB 4.43Å; F231-H249 HydrophobicContact CD1-CB 3.64Å; F231-H249 HydrophobicContact CE1-CB 3.95Å; F231-H249 HydrophobicContact CG-CB 3.97Å; T247-H249 PolarHBondContact O-CE1 2.88Å; T247-H249 PolarHBondContact O-ND1 3.01Å; T247-H249 VanDerWaalsContact O-ND1 3.14Å
250A91.3Very high94.7Very high1 Ų151.7 Ų51.71%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-96.6110-17200000111.9F231 W232 C233 F248 L255F231-A250 CarbonylContact C-O 3.51Å; F231-A250 WeakPolarHBondContact CA-O 3.31Å; W232-A250 HydrophobicContact CZ2-CB 4.29Å; W232-A250 PolarHBondContact N-O 2.84Å; C233-A250 PolarHBondContact O-N 2.87Å; C233-A250 WeakPolarHBondContact SG-CB 3.22Å; F248-A250 HydrophobicContact CE1-CB 4.37Å; A250-L255 HydrophobicContact CB-CD2 3.25Å
251S86.7Confident94.5Very high53 Ų5353.9 Ų53.937%0.37129%0.287SS..  trans-94.7-33.7173.456.20000112.5
252Q87.7Confident94.2Very high66 Ų6650.2 Ų50.231%0.30827%0.268SS..SBendtrans-76.7144.2179.1-63-55.7-50.600111.3W232 S254 E267W232-Q252 PolarHBondContact NE1-O 3.24Å; Q252-S254 PolarHBondContact O-N 2.9Å; Q252-E267 HydrophobicContact CB-CG 4.12Å; Q252-E267 HydrophobicContact CG-CG 3.82Å
253P85.4Confident93.5Very high25 Ų2551.9 Ų51.916%0.16228%0.284CS..SBendtrans-67-9.3-178.227.9-36000113.4Y297 Y298P253-Y297 CarbonylContact O-C 3.54Å; P253-Y297 WeakPolarHBondContact O-CA 3.08Å; P253-Y298 PolarHBondContact O-N 3.49Å
254S91.3Very high92.8Very high24 Ų2450.8 Ų50.817%0.16830%0.297CS..EExtended strand (participates in β ladder)trans-136.1136.3173.3172.40000109.1Q252 L296Q252-S254 PolarHBondContact O-N 2.9Å; S254-L296 WeakPolarHBondContact CA-O 3.46Å
255L95Very high92Very high2 Ų253.2 Ų53.21%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-141160172.176.196.1000110.6W232 I235 F248 A250 V257 E267 R295 L296W232-L255 HydrophobicContact CH2-CD2 4.46Å; W232-L255 HydrophobicContact CZ2-CD2 3.73Å; I235-L255 HydrophobicContact CD1-CD1 3.76Å; I235-L255 HydrophobicContact CD1-CD2 3.93Å; F248-L255 HydrophobicContact CE1-CD2 4.34Å; A250-L255 HydrophobicContact CB-CD2 3.25Å; L255-V257 HydrophobicContact CD1-CG2 3.55Å; L255-E267 CarbonylContact C-O 3.45Å; L255-E267 VanDerWaalsContact CA-O 3.26Å; L255-E267 WeakPolarHBondContact CA-O 3.44Å; L255-R295 WeakPolarHBondContact O-CA 3.39Å; L255-L296 HydrophobicContact CD1-CD1 4.19Å; L255-L296 HydrophobicContact CG-CB 4.21Å; L255-L296 PolarHBondContact N-O 2.93Å; L255-L296 PolarHBondContact O-N 2.78Å
256T97.3Very high91.3Very high29 Ų2955 Ų5518%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-119.8128.3173.5-51.40000110.2D258 E267 R268 F269 R292 V294 L308T256-D258 HydrophobicContact CG2-CB 4.18Å; T256-E267 PolarHBondContact N-O 3.05Å; T256-R268 CarbonylContact O-C 3.55Å; T256-R268 VanDerWaalsContact O-CA 3.28Å; T256-R268 WeakPolarHBondContact O-CA 3.48Å; T256-F269 PolarHBondContact O-N 3.43Å; T256-R292 WeakPolarHBondContact CG2-O 3.47Å; T256-V294 CarbonylContact C-O 3.48Å; T256-V294 WeakPolarHBondContact CA-O 3.4Å; T256-L308 HydrophobicContact CG2-CD1 4.22Å
257V98.2Very high91.1Very high0 Ų051.5 Ų51.50%030%0.299CS..EExtended strand (participates in β ladder)trans-99.6113.2168.5-172.10000107.3I235 L255 F269 L271 G293 V294 L296 F376 I396I235-V257 HydrophobicContact CD1-CG2 3.88Å; L255-V257 HydrophobicContact CD1-CG2 3.55Å; V257-F269 WeakPolarHBondContact CA-O 3.43Å; V257-F269 HydrophobicContact CB-CB 4.46Å; V257-F269 HydrophobicContact CG1-CB 4.27Å; V257-F269 HydrophobicContact CG1-CD1 4.01Å; V257-F269 HydrophobicContact CG1-CG 4.36Å; V257-F269 HydrophobicContact CG2-CB 4.16Å; V257-F269 HydrophobicContact CG2-CD1 4.29Å; V257-L271 HydrophobicContact CG1-CD1 3.73Å; V257-L271 HydrophobicContact CG1-CD2 3.95Å; V257-L271 HydrophobicContact CG1-CG 3.8Å; V257-G293 CarbonylContact O-C 3.6Å; V257-G293 VanDerWaalsContact O-CA 3.26Å; V257-G293 WeakPolarHBondContact O-CA 3.11Å; V257-V294 HydrophobicContact CB-CG1 3.92Å; V257-V294 HydrophobicContact CG2-CG1 4.32Å; V257-V294 PolarHBondContact N-O 2.89Å; V257-V294 PolarHBondContact O-N 2.96Å; V257-L296 HydrophobicContact CG2-CD1 4.25Å; V257-F376 HydrophobicContact CB-CZ 4.41Å; V257-F376 HydrophobicContact CG1-CZ 3.98Å; V257-I396 HydrophobicContact CB-CD1 4.4Å; V257-I396 HydrophobicContact CG1-CD1 4.29Å; V257-I396 HydrophobicContact CG1-CG2 4.4Å; V257-I396 HydrophobicContact CG2-CD1 4.11Å
258D97.9Very high91Very high4 Ų453.1 Ų53.12%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-132.6169.4-170.769.352.5000113.3T256 F260 R268 F269 C270 L271 G291T256-D258 HydrophobicContact CG2-CB 4.18Å; D258-F260 VanDerWaalsContact C-N 3.33Å; D258-F260 HydrophobicContact CB-CD2 3.94Å; D258-F260 HydrophobicContact CB-CE2 4.45Å; D258-F260 VanDerWaalsContact OD1-CB 3.29Å; D258-F260 WeakPolarHBondContact OD1-CB 3.39Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.33Å; D258-F260 PolarHBondContact OD1-N 3.01Å; D258-R268 IonicContact OD1-NH2 3.76Å; D258-R268 PolarHBondContact OD1-NH2 3.02Å; D258-R268 IonicContact OD2-CZ 3.19Å; D258-R268 VanDerWaalsContact OD2-CZ 3.23Å; D258-R268 IonicContact OD2-NE 2.73Å; D258-R268 PolarHBondContact OD2-NE 2.68Å; D258-R268 IonicContact OD2-NH2 3.73Å; D258-R268 PolarHBondContact OD2-NH2 2.71Å; D258-F269 PolarHBondContact N-O 2.95Å; D258-C270 PolarHBondContact OD1-SG 3.17Å; D258-L271 WeakPolarHBondContact O-CB 3.48Å; D258-L271 WeakPolarHBondContact O-CG 3.24Å; D258-L271 PolarHBondContact O-N 2.79Å; D258-G291 WeakPolarHBondContact CB-O 3.16Å
259G97.1Very high91Very high20 Ų2052.2 Ų52.221%0.20630%0.298CS..SBendtrans-9010-178.600000114.2G272 G291G259-G272 WeakPolarHBondContact O-CA 3.4Å; G259-G291 PolarHBondContact N-O 3.33Å
260F96.6Very high91.1Very high96 Ų9647.7 Ų47.742%0.42128%0.277SS..SBendtrans-90.1-169.7-177.3-55.4-61.4000111.4D258 C270 G272 R292D258-F260 VanDerWaalsContact C-N 3.33Å; D258-F260 HydrophobicContact CB-CD2 3.94Å; D258-F260 HydrophobicContact CB-CE2 4.45Å; D258-F260 VanDerWaalsContact OD1-CB 3.29Å; D258-F260 WeakPolarHBondContact OD1-CB 3.39Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.33Å; D258-F260 PolarHBondContact OD1-N 3.01Å; F260-C270 WeakPolarHBondContact O-CB 3.12Å; F260-G272 WeakPolarHBondContact O-CA 3.29Å; F260-G272 PolarHBondContact O-N 3.17Å; F260-R292 HydrophobicContact CE2-CG 4.04Å; F260-R292 HydrophobicContact CZ-CG 4.21Å
261T94.7Very high91.4Very high100 Ų10047.6 Ų47.661%0.61328%0.277SS*.  trans-129.229.1-164.361.80000113.9P263T261-P263 VanDerWaalsContact O-CD 3.31Å; T261-P263 WeakPolarHBondContact O-CD 3.29Å
262D90Very high91.8Very high54 Ų5446.3 Ų46.329%0.28927%0.272SS..  trans-85.8111.8178.4178.43.6000110.3S264 N265 R268 C270D262-S264 PolarHBondContact OD1-N 3.08Å; D262-N265 WeakPolarHBondContact OD2-CB 3.36Å; D262-R268 IonicContact OD2-NH1 2.68Å; D262-R268 PolarHBondContact OD2-NH1 2.82Å; D262-C270 PolarHBondContact N-SG 2.84Å; D262-C270 WeakPolarHBondContact O-CB 3.5Å; D262-C270 PolarHBondContact O-SG 3.38Å
263P84Confident92.1Very high103 Ų10346.6 Ų46.667%0.66928%0.275SS*.SBendtrans-86.7-9.8-173.634.5-34.9000114.3T261 L273T261-P263 VanDerWaalsContact O-CD 3.31Å; T261-P263 WeakPolarHBondContact O-CD 3.29Å; P263-L273 HydrophobicContact CB-CD2 4.06Å
264S82.6Confident92.6Very high111 Ų11146.5 Ų46.578%0.77627%0.273SS*.SBendtrans-114.41.2-163.4-56.50000114.6D262D262-S264 PolarHBondContact OD1-N 3.08Å
265N81.6Confident92.8Very high56 Ų5650.6 Ų50.630%0.29930%0.302SS..  trans-96.8114.7-175.2-170.7-27.8000111.4D262 E267 R268D262-N265 WeakPolarHBondContact OD2-CB 3.36Å; N265-E267 PolarHBondContact O-N 2.99Å; N265-E267 WeakPolarHBondContact OD1-CB 3.38Å; N265-E267 PolarHBondContact OD1-N 3.43Å; N265-R268 HydrophobicContact CB-CB 4.06Å; N265-R268 HydrophobicContact CB-CG 4.25Å; N265-R268 WeakPolarHBondContact ND2-CD 3.44Å; N265-R268 PolarHBondContact O-N 3.03Å
266S80.6Confident92.8Very high77 Ų7751.5 Ų51.554%0.53831%0.307SS..THydrogen-bonded Turntrans-69.1-8.9179.454.90000114.7F248F248-S266 WeakPolarHBondContact CZ-O 3.37Å
267E88.8Confident92.7Very high97 Ų9756.9 Ų56.945%0.45334%0.339SS..THydrogen-bonded Turntrans-100.70.8173.6-63.4176.5-17400112.2Q252 L255 T256 N265Q252-E267 HydrophobicContact CB-CG 4.12Å; Q252-E267 HydrophobicContact CG-CG 3.82Å; L255-E267 CarbonylContact C-O 3.45Å; L255-E267 VanDerWaalsContact CA-O 3.26Å; L255-E267 WeakPolarHBondContact CA-O 3.44Å; T256-E267 PolarHBondContact N-O 3.05Å; N265-E267 PolarHBondContact O-N 2.99Å; N265-E267 WeakPolarHBondContact OD1-CB 3.38Å; N265-E267 PolarHBondContact OD1-N 3.43Å
268R94Very high92.5Very high65 Ų6562 Ų6225%0.24537%0.367CS..EExtended strand (participates in β ladder)trans-131.6121.2-177-61.3178.764.2-156.10.4112.2T256 D258 D262 N265T256-R268 CarbonylContact O-C 3.55Å; T256-R268 VanDerWaalsContact O-CA 3.28Å; T256-R268 WeakPolarHBondContact O-CA 3.48Å; D258-R268 IonicContact OD1-NH2 3.76Å; D258-R268 PolarHBondContact OD1-NH2 3.02Å; D258-R268 IonicContact OD2-CZ 3.19Å; D258-R268 VanDerWaalsContact OD2-CZ 3.23Å; D258-R268 IonicContact OD2-NE 2.73Å; D258-R268 PolarHBondContact OD2-NE 2.68Å; D258-R268 IonicContact OD2-NH2 3.73Å; D258-R268 PolarHBondContact OD2-NH2 2.71Å; D262-R268 IonicContact OD2-NH1 2.68Å; D262-R268 PolarHBondContact OD2-NH1 2.82Å; N265-R268 HydrophobicContact CB-CB 4.06Å; N265-R268 HydrophobicContact CB-CG 4.25Å; N265-R268 WeakPolarHBondContact ND2-CD 3.44Å; N265-R268 PolarHBondContact O-N 3.03Å
269F96.5Very high92.4Very high14 Ų1464.5 Ų64.56%0.06138%0.376CS..EExtended strand (participates in β ladder)trans-96.294.4168.2-173-163.4000109.6I235 F248 T256 V257 D258 L271 L274I235-F269 HydrophobicContact CB-CD1 4.14Å; I235-F269 HydrophobicContact CB-CE1 4.15Å; I235-F269 HydrophobicContact CG2-CD1 3.97Å; I235-F269 HydrophobicContact CG2-CE1 3.9Å; F248-F269 HydrophobicContact CB-CB 4.22Å; F248-F269 HydrophobicContact CB-CD1 3.57Å; F248-F269 HydrophobicContact CB-CD2 3.89Å; F248-F269 HydrophobicContact CB-CE1 3.77Å; F248-F269 HydrophobicContact CB-CE2 4.08Å; F248-F269 HydrophobicContact CB-CG 3.63Å; F248-F269 HydrophobicContact CB-CZ 4.02Å; F248-F269 HydrophobicContact CD1-CB 4.13Å; F248-F269 HydrophobicContact CD1-CG 4.46Å; F248-F269 HydrophobicContact CD2-CB 3.77Å; F248-F269 AromaticContact CD2-CD2 3.91Å; F248-F269 HydrophobicContact CD2-CD2 3.91Å; F248-F269 AromaticContact CD2-CG 3.87Å; F248-F269 HydrophobicContact CD2-CG 3.87Å; F248-F269 HydrophobicContact CE1-CB 4.44Å; F248-F269 HydrophobicContact CE2-CB 4.09Å; F248-F269 HydrophobicContact CG-CB 3.77Å; F248-F269 HydrophobicContact CG-CD1 4.07Å; F248-F269 HydrophobicContact CG-CD2 4.13Å; F248-F269 AromaticContact CG-CG 3.74Å; F248-F269 HydrophobicContact CG-CG 3.74Å; F248-F269 HydrophobicContact CZ-CB 4.41Å; T256-F269 PolarHBondContact O-N 3.43Å; V257-F269 WeakPolarHBondContact CA-O 3.43Å; V257-F269 HydrophobicContact CB-CB 4.46Å; V257-F269 HydrophobicContact CG1-CB 4.27Å; V257-F269 HydrophobicContact CG1-CD1 4.01Å; V257-F269 HydrophobicContact CG1-CG 4.36Å; V257-F269 HydrophobicContact CG2-CB 4.16Å; V257-F269 HydrophobicContact CG2-CD1 4.29Å; D258-F269 PolarHBondContact N-O 2.95Å; F269-L271 HydrophobicContact CD1-CD2 4.15Å; F269-L271 HydrophobicContact CD2-CD2 4.25Å; F269-L271 HydrophobicContact CE1-CD2 3.96Å; F269-L271 HydrophobicContact CE2-CD2 4.05Å; F269-L271 HydrophobicContact CG-CD2 4.3Å; F269-L271 HydrophobicContact CZ-CD2 3.91Å; F269-L271 PolarHBondContact O-N 3.23Å; F269-L274 HydrophobicContact CE2-CD1 4.14Å; F269-L274 HydrophobicContact CZ-CD1 4.36Å
270C96.8Very high92.4Very high4 Ų466.8 Ų66.83%0.02738%0.383CS..EExtended strand (participates in β ladder)trans-84.6104.4-175.4-70.20000111.2D258 F260 D262 G272 L273D258-C270 PolarHBondContact OD1-SG 3.17Å; F260-C270 WeakPolarHBondContact O-CB 3.12Å; D262-C270 PolarHBondContact N-SG 2.84Å; D262-C270 WeakPolarHBondContact O-CB 3.5Å; D262-C270 PolarHBondContact O-SG 3.38Å; C270-G272 VanDerWaalsContact C-N 3.3Å; C270-G272 PolarHBondContact O-N 3.23Å; C270-L273 HydrophobicContact CB-CD2 3.71Å; C270-L273 WeakPolarHBondContact O-CG 3.31Å
271L97.2Very high92.4Very high0 Ų066.8 Ų66.80%040%0.395CS..G310 helixtrans-74.9-21.9-178.6-55.3-178.7000112.5Y237 V257 D258 F269 L273 L274 R287 I290 F376Y237-L271 HydrophobicContact CD1-CD2 4.18Å; Y237-L271 HydrophobicContact CD2-CD1 3.75Å; Y237-L271 HydrophobicContact CD2-CD2 3.82Å; Y237-L271 HydrophobicContact CD2-CG 4.33Å; Y237-L271 HydrophobicContact CE2-CD1 3.78Å; Y237-L271 HydrophobicContact CE2-CD2 4.44Å; Y237-L271 HydrophobicContact CG-CD1 4.45Å; Y237-L271 HydrophobicContact CG-CD2 3.67Å; V257-L271 HydrophobicContact CG1-CD1 3.73Å; V257-L271 HydrophobicContact CG1-CD2 3.95Å; V257-L271 HydrophobicContact CG1-CG 3.8Å; D258-L271 WeakPolarHBondContact O-CB 3.48Å; D258-L271 WeakPolarHBondContact O-CG 3.24Å; D258-L271 PolarHBondContact O-N 2.79Å; F269-L271 HydrophobicContact CD1-CD2 4.15Å; F269-L271 HydrophobicContact CD2-CD2 4.25Å; F269-L271 HydrophobicContact CE1-CD2 3.96Å; F269-L271 HydrophobicContact CE2-CD2 4.05Å; F269-L271 HydrophobicContact CG-CD2 4.3Å; F269-L271 HydrophobicContact CZ-CD2 3.91Å; F269-L271 PolarHBondContact O-N 3.23Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 3Å; L271-L274 HydrophobicContact CD2-CD1 4Å; L271-L274 WeakPolarHBondContact O-CB 3.1Å; L271-L274 PolarHBondContact O-N 3.38Å; L271-R287 VanDerWaalsContact O-CZ 3.26Å; L271-R287 PolarHBondContact O-NH1 3.13Å; L271-R287 PolarHBondContact O-NH2 2.8Å; L271-I290 HydrophobicContact CD1-CD1 4.03Å; L271-F376 HydrophobicContact CD1-CD2 4.43Å; L271-F376 HydrophobicContact CD1-CE2 3.73Å; L271-F376 HydrophobicContact CD1-CZ 4.07Å
272G95.4Very high92.5Very high26 Ų2664.6 Ų64.627%0.26839%0.387SS..G310 helixtrans-63.6-32.1-17400000114G259 F260 C270 R287G259-G272 WeakPolarHBondContact O-CA 3.4Å; F260-G272 WeakPolarHBondContact O-CA 3.29Å; F260-G272 PolarHBondContact O-N 3.17Å; C270-G272 VanDerWaalsContact C-N 3.3Å; C270-G272 PolarHBondContact O-N 3.23Å; G272-R287 VanDerWaalsContact C-NH2 3.34Å; G272-R287 VanDerWaalsContact CA-NH2 3.32Å; G272-R287 PolarHBondContact O-NH2 2.94Å
273L93.9Very high92.8Very high72 Ų7262.1 Ų62.138%0.37737%0.374SS..G310 helixtrans-80.7-13.8178.966.193.4000113.9P263 C270 L271 S275P263-L273 HydrophobicContact CB-CD2 4.06Å; C270-L273 HydrophobicContact CB-CD2 3.71Å; C270-L273 WeakPolarHBondContact O-CG 3.31Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 3Å; L273-S275 PolarHBondContact O-N 3Å
274L95.3Very high93.4Very high23 Ų2361.2 Ų61.212%0.1236%0.361CS..  trans-73.3125.8-177.8-56.5178.7000110.7Y237 V244 F269 L271 R279 R287Y237-L274 HydrophobicContact CD1-CD1 3.57Å; Y237-L274 HydrophobicContact CE1-CD1 4.26Å; Y237-L274 HydrophobicContact CG-CD1 4.24Å; V244-L274 HydrophobicContact CG1-CB 4.01Å; F269-L274 HydrophobicContact CE2-CD1 4.14Å; F269-L274 HydrophobicContact CZ-CD1 4.36Å; L271-L274 HydrophobicContact CD2-CD1 4Å; L271-L274 WeakPolarHBondContact O-CB 3.1Å; L271-L274 PolarHBondContact O-N 3.38Å; L274-R279 PolarHBondContact O-NH1 2.91Å; L274-R279 PolarHBondContact O-NH2 3.46Å; L274-R287 PolarHBondContact O-NH2 3.16Å
275S94.4Very high94.1Very high110 Ų11060.4 Ų60.477%0.76935%0.347SS*.  trans-91.1142.9178.2-660000111.4L273L273-S275 PolarHBondContact O-N 3Å
276N95.1Very high94.9Very high21 Ų2158 Ų5811%0.11234%0.335CS..  trans-145.3121.4171.6179.113.2000109.1E239 Q242 V244 N278 R279E239-N276 WeakPolarHBondContact OE2-CB 3.12Å; E239-N276 PolarHBondContact OE2-ND2 2.8Å; Q242-N276 PolarHBondContact OE1-OD1 3.23Å; V244-N276 HydrophobicContact CG1-CB 4.02Å; V244-N276 HydrophobicContact CG2-CB 4.01Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N276-N278 PolarHBondContact OD1-N 3.27Å; N276-R279 HydrophobicContact CB-CB 4.21Å; N276-R279 VanDerWaalsContact O-CB 3.25Å; N276-R279 WeakPolarHBondContact O-CB 3.38Å; N276-R279 PolarHBondContact O-N 2.75Å
277V95.2Very high95.7Very high141 Ų14155.4 Ų55.486%0.85531%0.313SS*.THydrogen-bonded Turntrans-72.9-25.4-179.5-63.90000112.9R279V277-R279 PolarHBondContact O-N 2.72Å
278N94.2Very high96.1Very high108 Ų10859.8 Ų59.858%0.57833%0.325SS*.THydrogen-bonded Turntrans-90.312.9179.6-61-34.8000112.3Q242 N276 N280Q242-N278 PolarHBondContact NE2-ND2 3.13Å; Q242-N278 PolarHBondContact OE1-ND2 3.05Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N276-N278 PolarHBondContact OD1-N 3.27Å; N278-N280 PolarHBondContact O-N 3.21Å
279R96.8Very high96.3Very high56 Ų5660.9 Ų60.921%0.21133%0.333CS..  trans-69.9125.5-176.2-172.3176.2-69.7152.4-2.3110.3E239 L274 N276 V277 V283 E284 R287E239-R279 IonicContact OE1-CZ 2.79Å; E239-R279 IonicContact OE1-NE 2.65Å; E239-R279 PolarHBondContact OE1-NE 3.35Å; E239-R279 IonicContact OE1-NH2 2.92Å; E239-R279 PolarHBondContact OE1-NH2 3.39Å; E239-R279 IonicContact OE2-CZ 2.88Å; E239-R279 IonicContact OE2-NE 3.79Å; E239-R279 PolarHBondContact OE2-NE 3Å; E239-R279 IonicContact OE2-NH2 3.53Å; L274-R279 PolarHBondContact O-NH1 2.91Å; L274-R279 PolarHBondContact O-NH2 3.46Å; N276-R279 HydrophobicContact CB-CB 4.21Å; N276-R279 VanDerWaalsContact O-CB 3.25Å; N276-R279 WeakPolarHBondContact O-CB 3.38Å; N276-R279 PolarHBondContact O-N 2.75Å; V277-R279 PolarHBondContact O-N 2.72Å; R279-V283 HydrophobicContact CG-CB 3.92Å; R279-V283 HydrophobicContact CG-CG1 3.76Å; R279-E284 HydrophobicContact CG-CG 3.76Å; R279-R287 VanDerWaalsContact CZ-NE 3.3Å; R279-R287 VanDerWaalsContact NH2-CZ 3.31Å
280N96.8Very high96.3Very high69 Ų6960.3 Ų60.337%0.36933%0.331SS..  trans-98.4168.6175.170.937.8000112.1N278 A282 V283 E284N278-N280 PolarHBondContact O-N 3.21Å; N280-A282 VanDerWaalsContact C-N 3.26Å; N280-A282 PolarHBondContact O-N 3.36Å; N280-A282 WeakPolarHBondContact OD1-CB 3.43Å; N280-A282 PolarHBondContact OD1-N 3.4Å; N280-A282 VanDerWaalsContact OD1-N 3.07Å; N280-V283 WeakPolarHBondContact O-CB 3.41Å; N280-V283 PolarHBondContact O-N 3.06Å; N280-V283 VanDerWaalsContact O-N 3.08Å; N280-V283 WeakPolarHBondContact OD1-CG2 3.39Å; N280-V283 PolarHBondContact OD1-N 2.9Å; N280-E284 PolarHBondContact O-N 3.19Å
281S97Very high96.3Very high95 Ų9561.1 Ų61.166%0.66434%0.34SS*.Hα-helixtrans-60.4-30.8-176.5-46.10000113.9L285S281-L285 WeakPolarHBondContact O-CB 3.4Å; S281-L285 PolarHBondContact O-N 3.07Å
282A95.6Very high96.2Very high55 Ų5567.7 Ų67.746%0.45537%0.365SS..Hα-helixtrans-70.2-37.3177.600000111.7N280 T286N280-A282 VanDerWaalsContact C-N 3.26Å; N280-A282 PolarHBondContact O-N 3.36Å; N280-A282 WeakPolarHBondContact OD1-CB 3.43Å; N280-A282 PolarHBondContact OD1-N 3.4Å; N280-A282 VanDerWaalsContact OD1-N 3.07Å; A282-T286 WeakPolarHBondContact O-CB 3.41Å; A282-T286 PolarHBondContact O-N 2.75Å; A282-T286 PolarHBondContact O-OG1 3.34Å
283V97.8Very high96.3Very high2 Ų266.5 Ų66.51%0.01235%0.352CS..Hα-helixtrans-67.2-47.5173178.20000110.1E239 L240 R279 N280 L285 T286 R287 P393E239-V283 HydrophobicContact CB-CG1 4.08Å; E239-V283 VanDerWaalsContact CD-CG1 3.44Å; E239-V283 HydrophobicContact CG-CG1 3.72Å; E239-V283 WeakPolarHBondContact OE2-CG1 3.44Å; L240-V283 HydrophobicContact CD1-CG2 4.47Å; L240-V283 HydrophobicContact CG-CG2 4.32Å; R279-V283 HydrophobicContact CG-CB 3.92Å; R279-V283 HydrophobicContact CG-CG1 3.76Å; N280-V283 WeakPolarHBondContact O-CB 3.41Å; N280-V283 PolarHBondContact O-N 3.06Å; N280-V283 VanDerWaalsContact O-N 3.08Å; N280-V283 WeakPolarHBondContact OD1-CG2 3.39Å; N280-V283 PolarHBondContact OD1-N 2.9Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.46Å; V283-T286 PolarHBondContact O-N 3.47Å; V283-T286 VanDerWaalsContact O-N 3.13Å; V283-R287 HydrophobicContact CG1-CG 4.31Å; V283-R287 VanDerWaalsContact O-CG 3.31Å; V283-R287 WeakPolarHBondContact O-CG 3.31Å; V283-R287 PolarHBondContact O-N 3.09Å; V283-P393 HydrophobicContact CB-CB 4.34Å; V283-P393 HydrophobicContact CG2-CB 3.85Å
284E96.7Very high96.5Very high84 Ų8463 Ų6339%0.39333%0.334SS..Hα-helixtrans-56.6-46.4176.6-68.1-174.4160.800112.7R279 N280 T286 R287 R288R279-E284 HydrophobicContact CG-CG 3.76Å; N280-E284 PolarHBondContact O-N 3.19Å; E284-T286 VanDerWaalsContact C-N 3.32Å; E284-T286 PolarHBondContact O-N 3.43Å; E284-R287 PolarHBondContact O-N 2.67Å; E284-R288 WeakPolarHBondContact O-CG 3.21Å; E284-R288 PolarHBondContact O-N 2.95Å
285L96.7Very high96.6Very high93 Ų9364.6 Ų64.649%0.48734%0.338SS..Hα-helixtrans-62.6-41.2177.7-175.566.8000111.4S281 V283 R288 H289S281-L285 WeakPolarHBondContact O-CB 3.4Å; S281-L285 PolarHBondContact O-N 3.07Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.46Å; L285-R288 PolarHBondContact O-N 2.8Å; L285-H289 PolarHBondContact O-ND1 3.11Å
286T97.8Very high96.8Very high5 Ų559.4 Ų59.43%0.03130%0.302CS..Hα-helixtrans-65.4-43178.8-59.70000111.3A282 V283 E284 R288 H289 I290 V377 P393 C394A282-T286 WeakPolarHBondContact O-CB 3.41Å; A282-T286 PolarHBondContact O-N 2.75Å; A282-T286 PolarHBondContact O-OG1 3.34Å; V283-T286 PolarHBondContact O-N 3.47Å; V283-T286 VanDerWaalsContact O-N 3.13Å; E284-T286 VanDerWaalsContact C-N 3.32Å; E284-T286 PolarHBondContact O-N 3.43Å; T286-R288 VanDerWaalsContact C-N 3.28Å; T286-R288 PolarHBondContact O-N 2.77Å; T286-H289 PolarHBondContact O-N 2.84Å; T286-I290 PolarHBondContact O-N 3.1Å; T286-V377 HydrophobicContact CG2-CB 3.94Å; T286-V377 HydrophobicContact CG2-CG2 3.92Å; T286-P393 HydrophobicContact CG2-CB 4.11Å; T286-P393 HydrophobicContact CG2-CG 4.43Å; T286-C394 HydrophobicContact CG2-CB 3.99Å
287R97.9Very high96.6Very high24 Ų2459.5 Ų59.59%0.09130%0.301CS..Hα-helixtrans-57.2-38.9177.5-72.2171.159.375.1-1.6112.8Y237 E239 L271 G272 L274 R279 V283 E284 H289 I290 C394Y237-R287 PolarHBondContact OH-NH1 3.03Å; Y237-R287 VanDerWaalsContact OH-NH1 3.13Å; E239-R287 WeakPolarHBondContact OE1-CD 3.39Å; E239-R287 IonicContact OE1-CZ 3.37Å; E239-R287 IonicContact OE1-NE 3.21Å; E239-R287 IonicContact OE1-NH1 3.72Å; E239-R287 PolarHBondContact OE1-NH1 3.21Å; L271-R287 VanDerWaalsContact O-CZ 3.26Å; L271-R287 PolarHBondContact O-NH1 3.13Å; L271-R287 PolarHBondContact O-NH2 2.8Å; G272-R287 VanDerWaalsContact C-NH2 3.34Å; G272-R287 VanDerWaalsContact CA-NH2 3.32Å; G272-R287 PolarHBondContact O-NH2 2.94Å; L274-R287 PolarHBondContact O-NH2 3.16Å; R279-R287 VanDerWaalsContact CZ-NE 3.3Å; R279-R287 VanDerWaalsContact NH2-CZ 3.31Å; V283-R287 HydrophobicContact CG1-CG 4.31Å; V283-R287 VanDerWaalsContact O-CG 3.31Å; V283-R287 WeakPolarHBondContact O-CG 3.31Å; V283-R287 PolarHBondContact O-N 3.09Å; E284-R287 PolarHBondContact O-N 2.67Å; R287-H289 PolarHBondContact O-N 3.13Å; R287-I290 HydrophobicContact CG-CD1 4.42Å; R287-I290 WeakPolarHBondContact O-CB 3.37Å; R287-I290 PolarHBondContact O-N 2.86Å; R287-C394 WeakPolarHBondContact CG-SG 3.33Å
288R97Very high96.4Very high188 Ų18854.4 Ų54.471%0.70927%0.266SS*.Hα-helixtrans-61.3-27.9176.2-66.7177.3-165.3171.56113.1E284 L285 T286E284-R288 WeakPolarHBondContact O-CG 3.21Å; E284-R288 PolarHBondContact O-N 2.95Å; L285-R288 PolarHBondContact O-N 2.8Å; T286-R288 VanDerWaalsContact C-N 3.28Å; T286-R288 PolarHBondContact O-N 2.77Å
289H97.2Very high95.9Very high89 Ų8950 Ų5041%0.41224%0.242SC..THydrogen-bonded Turntrans-94.2-2.4-178.8-66.785000113.4L285 T286 R287 G291 S309 V377L285-H289 PolarHBondContact O-ND1 3.11Å; T286-H289 PolarHBondContact O-N 2.84Å; R287-H289 PolarHBondContact O-N 3.13Å; H289-G291 VanDerWaalsContact C-N 3.33Å; H289-S309 PolarHBondContact O-OG 2.9Å; H289-V377 HydrophobicContact CB-CG1 4.34Å; H289-V377 HydrophobicContact CB-CG2 3.74Å
290I98Very high95.1Very high1 Ų147.9 Ų47.91%0.00524%0.238CC..THydrogen-bonded Turntrans-62-46.8172.4-61.9176.7000108.9L271 T286 R287 R292 G293 S309 F376 C394L271-I290 HydrophobicContact CD1-CD1 4.03Å; T286-I290 PolarHBondContact O-N 3.1Å; R287-I290 HydrophobicContact CG-CD1 4.42Å; R287-I290 WeakPolarHBondContact O-CB 3.37Å; R287-I290 PolarHBondContact O-N 2.86Å; I290-R292 PolarHBondContact O-N 3.09Å; I290-G293 WeakPolarHBondContact O-CA 3.44Å; I290-G293 PolarHBondContact O-N 2.84Å; I290-S309 WeakPolarHBondContact O-CB 3.41Å; I290-S309 PolarHBondContact O-OG 2.79Å; I290-F376 HydrophobicContact CD1-CB 4.45Å; I290-F376 HydrophobicContact CD1-CD2 4.28Å; I290-F376 HydrophobicContact CD1-CG 4.3Å; I290-F376 HydrophobicContact CG1-CB 3.95Å; I290-F376 HydrophobicContact CG1-CD1 4.4Å; I290-F376 HydrophobicContact CG1-CG 4.07Å; I290-F376 HydrophobicContact CG2-CD1 3.98Å; I290-F376 HydrophobicContact CG2-CE1 4.11Å; I290-F376 HydrophobicContact CG2-CG 4.42Å; I290-C394 HydrophobicContact CD1-CB 4.24Å
291G96.1Very high94.6Very high21 Ų2144.9 Ų44.922%0.21622%0.224CC..THydrogen-bonded Turntrans55.1-124.817800000111.3D258 G259 H289 G293D258-G291 WeakPolarHBondContact CB-O 3.16Å; G259-G291 PolarHBondContact N-O 3.33Å; H289-G291 VanDerWaalsContact C-N 3.33Å; G291-G293 PolarHBondContact O-N 2.85Å
292R95.3Very high94.3Very high139 Ų13942 Ų4253%0.52520%0.2SC..THydrogen-bonded Turntrans-71.4-8176.1-61.6172.463.3-146.7-1.3114.3T256 F260 I290 L308T256-R292 WeakPolarHBondContact CG2-O 3.47Å; F260-R292 HydrophobicContact CE2-CG 4.04Å; F260-R292 HydrophobicContact CZ-CG 4.21Å; I290-R292 PolarHBondContact O-N 3.09Å; R292-L308 HydrophobicContact CB-CB 3.77Å; R292-L308 WeakPolarHBondContact CB-O 3.47Å
293G97.8Very high94.3Very high0 Ų039.5 Ų39.50%018%0.179CC..  trans61.2-130.9170.200000114.8V257 I290 G291 L308 S309V257-G293 CarbonylContact O-C 3.6Å; V257-G293 VanDerWaalsContact O-CA 3.26Å; V257-G293 WeakPolarHBondContact O-CA 3.11Å; I290-G293 WeakPolarHBondContact O-CA 3.44Å; I290-G293 PolarHBondContact O-N 2.84Å; G291-G293 PolarHBondContact O-N 2.85Å; G293-L308 CarbonylContact O-C 3.59Å; G293-L308 WeakPolarHBondContact O-CA 3.13Å; G293-L308 PolarHBondContact O-N 3.04Å; G293-S309 PolarHBondContact O-N 2.9Å
294V98.4Very high94.3Very high0 Ų040.9 Ų40.90%019%0.185CC..EExtended strand (participates in β ladder)trans-122.4137-177.660.40000110.6T256 V257 L296 A305 E306 I313 M374 F376 I396T256-V294 CarbonylContact C-O 3.48Å; T256-V294 WeakPolarHBondContact CA-O 3.4Å; V257-V294 HydrophobicContact CB-CG1 3.92Å; V257-V294 HydrophobicContact CG2-CG1 4.32Å; V257-V294 PolarHBondContact N-O 2.89Å; V257-V294 PolarHBondContact O-N 2.96Å; V294-L296 HydrophobicContact CG2-CD2 4.09Å; V294-L296 HydrophobicContact CG2-CG 4.35Å; V294-A305 HydrophobicContact CG2-CB 4.13Å; V294-E306 WeakPolarHBondContact CA-O 3.41Å; V294-E306 WeakPolarHBondContact CG2-O 3.33Å; V294-I313 HydrophobicContact CB-CD1 3.83Å; V294-I313 HydrophobicContact CG2-CD1 3.52Å; V294-M374 HydrophobicContact CB-CE 4.3Å; V294-M374 HydrophobicContact CG1-CE 4.31Å; V294-M374 HydrophobicContact CG2-CE 3.69Å; V294-F376 HydrophobicContact CB-CE1 4.39Å; V294-F376 HydrophobicContact CG1-CE1 3.89Å; V294-F376 HydrophobicContact CG1-CZ 4.05Å; V294-I396 HydrophobicContact CG1-CD1 4.35Å
295R97.2Very high94.3Very high56 Ų5636.9 Ų36.921%0.21117%0.166CC..EExtended strand (participates in β ladder)trans-97126.9166-177.9168.566.5157.41.1109.5L255 Y297 E306 L308L255-R295 WeakPolarHBondContact O-CA 3.39Å; R295-Y297 HydrophobicContact CG-CD1 4.28Å; R295-E306 HydrophobicContact CB-CB 4.42Å; R295-E306 IonicContact CZ-OE2 3.64Å; R295-E306 PolarHBondContact N-O 2.75Å; R295-E306 IonicContact NE-OE2 3.13Å; R295-E306 PolarHBondContact NE-OE2 3.26Å; R295-E306 IonicContact NH2-OE1 3.49Å; R295-E306 IonicContact NH2-OE2 2.93Å; R295-E306 PolarHBondContact NH2-OE2 2.74Å; R295-E306 PolarHBondContact O-N 2.8Å; R295-L308 HydrophobicContact CB-CD1 3.7Å; R295-L308 HydrophobicContact CB-CG 4Å
296L97.4Very high94.4Very high0 Ų034.1 Ų34.10%015%0.151CC..EExtended strand (participates in β ladder)trans-111.2130.5175.7-60.7166.6000108.2W232 I235 S254 L255 V257 V294 F304 A305 I342 M374 L398W232-L296 HydrophobicContact CH2-CB 4.12Å; I235-L296 HydrophobicContact CD1-CD1 3.73Å; S254-L296 WeakPolarHBondContact CA-O 3.46Å; L255-L296 HydrophobicContact CD1-CD1 4.19Å; L255-L296 HydrophobicContact CG-CB 4.21Å; L255-L296 PolarHBondContact N-O 2.93Å; L255-L296 PolarHBondContact O-N 2.78Å; V257-L296 HydrophobicContact CG2-CD1 4.25Å; V294-L296 HydrophobicContact CG2-CD2 4.09Å; V294-L296 HydrophobicContact CG2-CG 4.35Å; L296-F304 WeakPolarHBondContact CA-O 3.45Å; L296-A305 HydrophobicContact CD2-CB 3.84Å; L296-I342 HydrophobicContact CD2-CD1 4.08Å; L296-M374 HydrophobicContact CD2-SD 4.06Å; L296-L398 HydrophobicContact CD1-CD2 3.51Å; L296-L398 HydrophobicContact CD1-CG 4.17Å; L296-L398 HydrophobicContact CD2-CD2 3.97Å; L296-L398 HydrophobicContact CG-CD2 4.37Å
297Y92.6Very high94.4Very high23 Ų2333.9 Ų33.99%0.0915%0.149CC..EExtended strand (participates in β ladder)trans-139.2138.8178.155.9-93.7000111.9H100 P253 R295 I299 V303 F304 E306H100-Y297 AromaticContact CE1-CD1 3.87Å; H100-Y297 AromaticContact CE1-CG 3.8Å; H100-Y297 AromaticContact ND1-CD2 3.95Å; P253-Y297 CarbonylContact O-C 3.54Å; P253-Y297 WeakPolarHBondContact O-CA 3.08Å; R295-Y297 HydrophobicContact CG-CD1 4.28Å; Y297-I299 HydrophobicContact CD2-CD1 3.24Å; Y297-I299 HydrophobicContact CD2-CG1 3.79Å; Y297-I299 HydrophobicContact CE2-CD1 3.52Å; Y297-I299 HydrophobicContact CE2-CG1 4.47Å; Y297-I299 HydrophobicContact CG-CD1 4.35Å; Y297-V303 WeakPolarHBondContact O-CA 3.26Å; Y297-F304 HydrophobicContact CD1-CB 4.26Å; Y297-F304 HydrophobicContact CD2-CB 3.75Å; Y297-F304 AromaticContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CG 4.07Å; Y297-F304 HydrophobicContact CE1-CB 3.76Å; Y297-F304 HydrophobicContact CE2-CB 3.24Å; Y297-F304 HydrophobicContact CE2-CD1 4.21Å; Y297-F304 AromaticContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CE2 4.2Å; Y297-F304 AromaticContact CE2-CG 3.35Å; Y297-F304 HydrophobicContact CE2-CG 3.35Å; Y297-F304 HydrophobicContact CG-CB 4.26Å; Y297-F304 AromaticContact CZ-CG 3.68Å; Y297-F304 PolarHBondContact N-O 2.9Å; Y297-F304 VanDerWaalsContact N-O 3.14Å; Y297-F304 PolarHBondContact O-N 2.69Å; Y297-F304 WeakPolarHBondContact OH-CB 3.46Å; Y297-E306 HydrophobicContact CE1-CB 4.21Å
298Y89.7Confident94.3Very high34 Ų3433.9 Ų33.913%0.13315%0.151CC..EExtended strand (participates in β ladder)trans-108.2120.1179.3176.7-112.1000109.5E228 W232 P253 E302 V303 N345E228-Y298 PolarHBondContact OE1-OH 2.73Å; W232-Y298 HydrophobicContact CB-CD1 4.46Å; W232-Y298 HydrophobicContact CD2-CG 4.42Å; W232-Y298 HydrophobicContact CE3-CG 4.41Å; P253-Y298 PolarHBondContact O-N 3.49Å; Y298-E302 CarbonylContact C-O 3.6Å; Y298-E302 WeakPolarHBondContact CA-O 3.28Å; Y298-V303 HydrophobicContact CD2-CG2 3.84Å; Y298-N345 PolarHBondContact OH-ND2 2.79Å; Y298-N345 VanDerWaalsContact OH-ND2 3.16Å
299I84.6Confident94.3Very high15 Ų1525.1 Ų25.18%0.07712%0.118CC..EExtended strand (participates in β ladder)trans-145.6128.2-174.9-49.6168000108.6H100 I129 Y297 G301 E302H100-I299 HydrophobicContact CB-CD1 3.38Å; H100-I299 HydrophobicContact CB-CG1 3.64Å; H100-I299 WeakPolarHBondContact O-CD1 3.45Å; H100-I299 WeakPolarHBondContact O-CG2 3.36Å; I129-I299 HydrophobicContact CB-CG2 4.12Å; I129-I299 HydrophobicContact CD1-CG2 3.81Å; I129-I299 HydrophobicContact CG2-CG2 3.97Å; Y297-I299 HydrophobicContact CD2-CD1 3.24Å; Y297-I299 HydrophobicContact CD2-CG1 3.79Å; Y297-I299 HydrophobicContact CE2-CD1 3.52Å; Y297-I299 HydrophobicContact CE2-CG1 4.47Å; Y297-I299 HydrophobicContact CG-CD1 4.35Å; I299-G301 PolarHBondContact O-N 2.92Å; I299-G301 VanDerWaalsContact O-N 3.11Å; I299-E302 PolarHBondContact N-O 3.43Å; I299-E302 WeakPolarHBondContact O-CA 3.3Å; I299-E302 WeakPolarHBondContact O-CB 3.39Å; I299-E302 PolarHBondContact O-N 3.32Å
300G79Confident94.3Very high12 Ų1228 Ų2812%0.12414%0.137CC..THydrogen-bonded Turntrans62.525.4167.700000113.7T131 P132 E302T131-G300 VanDerWaalsContact CG2-CA 3.41Å; P132-G300 WeakPolarHBondContact CD-O 3.39Å; G300-E302 VanDerWaalsContact C-N 3.31Å
301G85.9Confident94.3Very high6 Ų629.2 Ų29.26%0.06215%0.145CC..THydrogen-bonded Turntrans79.810.3-174.100000114.2I299 N345I299-G301 PolarHBondContact O-N 2.92Å; I299-G301 VanDerWaalsContact O-N 3.11Å; G301-N345 VanDerWaalsContact O-CB 3.24Å; G301-N345 WeakPolarHBondContact O-CB 3.5Å; G301-N345 VanDerWaalsContact O-CG 3.27Å; G301-N345 PolarHBondContact O-N 2.89Å
302E92.4Very high94.4Very high35 Ų3528.8 Ų28.816%0.16414%0.14CC..EExtended strand (participates in β ladder)trans-117.6142.9179.7-49.9-166.812700110.5Y298 I299 G300 F304 K341 F343 N344Y298-E302 CarbonylContact C-O 3.6Å; Y298-E302 WeakPolarHBondContact CA-O 3.28Å; I299-E302 PolarHBondContact N-O 3.43Å; I299-E302 WeakPolarHBondContact O-CA 3.3Å; I299-E302 WeakPolarHBondContact O-CB 3.39Å; I299-E302 PolarHBondContact O-N 3.32Å; G300-E302 VanDerWaalsContact C-N 3.31Å; E302-F304 HydrophobicContact CB-CD2 4.34Å; E302-F304 HydrophobicContact CB-CE2 3.65Å; E302-F304 HydrophobicContact CB-CZ 4.25Å; E302-F304 WeakPolarHBondContact OE2-CZ 3.47Å; E302-K341 HydrophobicContact CB-CD 4.49Å; E302-K341 VanDerWaalsContact CD-CE 3.48Å; E302-K341 VanDerWaalsContact CD-NZ 3.25Å; E302-K341 WeakPolarHBondContact OE1-CD 3.48Å; E302-K341 VanDerWaalsContact OE1-CE 3.29Å; E302-K341 WeakPolarHBondContact OE1-CE 3.35Å; E302-K341 IonicContact OE1-NZ 3.76Å; E302-K341 PolarHBondContact OE1-NZ 3.45Å; E302-K341 WeakPolarHBondContact OE2-CE 3.46Å; E302-K341 IonicContact OE2-NZ 2.84Å; E302-K341 PolarHBondContact OE2-NZ 3.47Å; E302-K341 VanDerWaalsContact OE2-NZ 3.13Å; E302-F343 WeakPolarHBondContact CA-O 3.44Å; E302-N344 PolarHBondContact OE1-ND2 2.86Å
303V95.8Very high94.5Very high2 Ų222.2 Ų22.21%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-111.5132174.2-173.20000108.8W232 Y297 Y298 K341 I342 F343 L400W232-V303 HydrophobicContact CE3-CG2 4.46Å; W232-V303 HydrophobicContact CH2-CG1 4.11Å; W232-V303 HydrophobicContact CZ3-CG1 3.81Å; W232-V303 HydrophobicContact CZ3-CG2 4.03Å; Y297-V303 WeakPolarHBondContact O-CA 3.26Å; Y298-V303 HydrophobicContact CD2-CG2 3.84Å; V303-K341 CarbonylContact O-C 3.58Å; V303-I342 HydrophobicContact CB-CD1 4.48Å; V303-I342 HydrophobicContact CB-CG1 4.06Å; V303-I342 HydrophobicContact CG1-CD1 3.72Å; V303-I342 HydrophobicContact CG1-CG1 3.8Å; V303-I342 VanDerWaalsContact O-CG1 3.28Å; V303-I342 WeakPolarHBondContact O-CG1 3.43Å; V303-I342 PolarHBondContact O-N 3.03Å; V303-F343 HydrophobicContact CB-CB 3.83Å; V303-F343 HydrophobicContact CG2-CB 3.98Å; V303-F343 PolarHBondContact N-O 3.46Å; V303-F343 PolarHBondContact O-N 3.14Å; V303-F343 VanDerWaalsContact O-N 3.13Å; V303-L400 HydrophobicContact CG2-CD1 4.43Å; V303-L400 HydrophobicContact CG2-CD2 4.06Å
304F96.5Very high94.6Very high32 Ų3222.7 Ų22.714%0.1412%0.117CC..EExtended strand (participates in β ladder)trans-120.3149.1176.3-63.2-100.8000111.1L296 Y297 E302 L340 K341L296-F304 WeakPolarHBondContact CA-O 3.45Å; Y297-F304 HydrophobicContact CD1-CB 4.26Å; Y297-F304 HydrophobicContact CD2-CB 3.75Å; Y297-F304 AromaticContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CG 4.07Å; Y297-F304 HydrophobicContact CE1-CB 3.76Å; Y297-F304 HydrophobicContact CE2-CB 3.24Å; Y297-F304 HydrophobicContact CE2-CD1 4.21Å; Y297-F304 AromaticContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CE2 4.2Å; Y297-F304 AromaticContact CE2-CG 3.35Å; Y297-F304 HydrophobicContact CE2-CG 3.35Å; Y297-F304 HydrophobicContact CG-CB 4.26Å; Y297-F304 AromaticContact CZ-CG 3.68Å; Y297-F304 PolarHBondContact N-O 2.9Å; Y297-F304 VanDerWaalsContact N-O 3.14Å; Y297-F304 PolarHBondContact O-N 2.69Å; Y297-F304 WeakPolarHBondContact OH-CB 3.46Å; E302-F304 HydrophobicContact CB-CD2 4.34Å; E302-F304 HydrophobicContact CB-CE2 3.65Å; E302-F304 HydrophobicContact CB-CZ 4.25Å; E302-F304 WeakPolarHBondContact OE2-CZ 3.47Å; F304-L340 CarbonylContact C-O 3.55Å; F304-L340 VanDerWaalsContact CA-O 3.29Å; F304-L340 WeakPolarHBondContact CA-O 3.47Å; F304-K341 HydrophobicContact CD1-CB 3.82Å; F304-K341 HydrophobicContact CD1-CG 4.29Å; F304-K341 HydrophobicContact CE1-CB 3.62Å; F304-K341 HydrophobicContact CE1-CD 4.47Å; F304-K341 HydrophobicContact CE1-CG 3.92Å; F304-K341 HydrophobicContact CZ-CB 4.29Å; F304-K341 HydrophobicContact CZ-CD 4.36Å; F304-K341 HydrophobicContact CZ-CG 4.09Å
305A98Very high94.6Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-117.7126.117000000109.9V294 L296 I334 N339 L340 I342 M374V294-A305 HydrophobicContact CG2-CB 4.13Å; L296-A305 HydrophobicContact CD2-CB 3.84Å; A305-I334 HydrophobicContact CB-CD1 4Å; A305-N339 CarbonylContact O-C 3.49Å; A305-N339 WeakPolarHBondContact O-CA 3.2Å; A305-L340 PolarHBondContact N-O 2.79Å; A305-L340 PolarHBondContact O-N 2.84Å; A305-I342 HydrophobicContact CB-CD1 4Å; A305-I342 HydrophobicContact CB-CG1 4.38Å; A305-I342 HydrophobicContact CB-CG2 3.8Å; A305-M374 HydrophobicContact CB-CE 3.92Å; A305-M374 HydrophobicContact CB-SD 4.3Å
306E97.7Very high94.6Very high34 Ų3421.5 Ų21.516%0.15911%0.114CC..EExtended strand (participates in β ladder)trans-117.4127.3175.8-179.3-173.2-162.200110.5V294 R295 Y297 L308 C338 N339V294-E306 WeakPolarHBondContact CA-O 3.41Å; V294-E306 WeakPolarHBondContact CG2-O 3.33Å; R295-E306 HydrophobicContact CB-CB 4.42Å; R295-E306 IonicContact CZ-OE2 3.64Å; R295-E306 PolarHBondContact N-O 2.75Å; R295-E306 IonicContact NE-OE2 3.13Å; R295-E306 PolarHBondContact NE-OE2 3.26Å; R295-E306 IonicContact NH2-OE1 3.49Å; R295-E306 IonicContact NH2-OE2 2.93Å; R295-E306 PolarHBondContact NH2-OE2 2.74Å; R295-E306 PolarHBondContact O-N 2.8Å; Y297-E306 HydrophobicContact CE1-CB 4.21Å; E306-L308 HydrophobicContact CG-CD2 4.06Å; E306-L308 PolarHBondContact O-N 3.01Å; E306-C338 WeakPolarHBondContact CA-O 3.23Å; E306-N339 HydrophobicContact CB-CB 3.89Å; E306-N339 HydrophobicContact CG-CB 4.13Å
307C97.7Very high94.6Very high0 Ų021.6 Ų21.60%012%0.115CC..EExtended strand (participates in β ladder)trans-79.7105.3178.4-1700000110.3S311 I313 I334 P335 G337 C338C307-S311 PolarHBondContact SG-O 3.05Å; C307-I313 HydrophobicContact CB-CD1 3.87Å; C307-I313 HydrophobicContact CB-CG1 4.04Å; C307-I334 HydrophobicContact CB-CG2 3.86Å; C307-P335 VanDerWaalsContact CB-O 3.29Å; C307-P335 WeakPolarHBondContact CB-O 3.4Å; C307-G337 WeakPolarHBondContact O-CA 3.36Å; C307-G337 PolarHBondContact O-N 2.9Å; C307-C338 PolarHBondContact N-O 2.83Å
308L96.1Very high94.8Very high25 Ų2521.4 Ų21.413%0.13112%0.116CC..  trans-92-17.9174.1-61.1-173.1000112.8T256 R292 G293 R295 E306T256-L308 HydrophobicContact CG2-CD1 4.22Å; R292-L308 HydrophobicContact CB-CB 3.77Å; R292-L308 WeakPolarHBondContact CB-O 3.47Å; G293-L308 CarbonylContact O-C 3.59Å; G293-L308 WeakPolarHBondContact O-CA 3.13Å; G293-L308 PolarHBondContact O-N 3.04Å; R295-L308 HydrophobicContact CB-CD1 3.7Å; R295-L308 HydrophobicContact CB-CG 4Å; E306-L308 HydrophobicContact CG-CD2 4.06Å; E306-L308 PolarHBondContact O-N 3.01Å
309S97.2Very high95.1Very high3 Ų320 Ų202%0.02111%0.111CC..SBendtrans-65.6149.7173.2-1750000111.5H289 I290 G293 S311 P336H289-S309 PolarHBondContact O-OG 2.9Å; I290-S309 WeakPolarHBondContact O-CB 3.41Å; I290-S309 PolarHBondContact O-OG 2.79Å; G293-S309 PolarHBondContact O-N 2.9Å; S309-S311 WeakPolarHBondContact CB-O 3.34Å; S309-S311 PolarHBondContact O-N 2.85Å; S309-S311 PolarHBondContact OG-N 3.42Å; S309-S311 VanDerWaalsContact OG-N 3.1Å; S309-S311 PolarHBondContact OG-O 2.87Å; S309-P336 WeakPolarHBondContact O-CB 3.33Å
310D96.8Very high95.5Very high150 Ų15019.4 Ų19.480%0.80211%0.108SC*.SBendtrans-73-10.8169.7-57.1-41.4000111.9P336D310-P336 WeakPolarHBondContact O-CG 3.2Å
311S97.9Very high96.2Very high26 Ų2618.8 Ų18.818%0.18210%0.102CC..SBendtrans-105.8145.9171.1-67.60000111.1C307 S309C307-S311 PolarHBondContact SG-O 3.05Å; S309-S311 WeakPolarHBondContact CB-O 3.34Å; S309-S311 PolarHBondContact O-N 2.85Å; S309-S311 PolarHBondContact OG-N 3.42Å; S309-S311 VanDerWaalsContact OG-N 3.1Å; S309-S311 PolarHBondContact OG-O 2.87Å
312A98.3Very high96.6Very high13 Ų1323.3 Ų23.311%0.10712%0.122CC..  trans-63.6153.1177.600000112.4F314 K333 I334 V377A312-F314 HydrophobicContact CB-CE2 4.29Å; A312-F314 HydrophobicContact CB-CZ 4.27Å; A312-K333 HydrophobicContact CB-CG 4.1Å; A312-I334 WeakPolarHBondContact CA-O 3.37Å; A312-I334 WeakPolarHBondContact CB-O 3.49Å; A312-V377 WeakPolarHBondContact O-CA 3.25Å; A312-V377 PolarHBondContact O-N 3.41Å
313I98.6Very high96.5Very high1 Ų124.9 Ų24.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-112.3154.8169.463.5-174.4000109.8V294 C307 I334 M374 S375 F376V294-I313 HydrophobicContact CB-CD1 3.83Å; V294-I313 HydrophobicContact CG2-CD1 3.52Å; C307-I313 HydrophobicContact CB-CD1 3.87Å; C307-I313 HydrophobicContact CB-CG1 4.04Å; I313-I334 HydrophobicContact CD1-CB 4.29Å; I313-I334 HydrophobicContact CD1-CD1 4.17Å; I313-I334 HydrophobicContact CG1-CB 3.71Å; I313-I334 HydrophobicContact CG1-CD1 4.22Å; I313-I334 HydrophobicContact CG1-CG1 4.33Å; I313-I334 HydrophobicContact CG1-CG2 4.39Å; I313-I334 PolarHBondContact N-O 3.17Å; I313-I334 VanDerWaalsContact N-O 3.08Å; I313-I334 PolarHBondContact O-N 2.9Å; I313-M374 HydrophobicContact CD1-CE 3.58Å; I313-M374 HydrophobicContact CG1-CE 4.27Å; I313-S375 WeakPolarHBondContact CA-O 3.47Å; I313-F376 HydrophobicContact CG2-CD1 3.88Å; I313-F376 HydrophobicContact CG2-CE1 4.36Å
314F98.5Very high96.3Very high9 Ų930.2 Ų30.24%0.03915%0.147CC..EExtended strand (participates in β ladder)trans-126.1126.4-174.3-59.9-93.3000108.5A312 V331 C332 K333 M374 S375 V377 K378 G379 W380 Y384A312-F314 HydrophobicContact CB-CE2 4.29Å; A312-F314 HydrophobicContact CB-CZ 4.27Å; F314-V331 HydrophobicContact CB-CG1 3.76Å; F314-C332 CarbonylContact C-O 3.56Å; F314-C332 WeakPolarHBondContact CA-O 3.28Å; F314-K333 HydrophobicContact CD1-CB 3.98Å; F314-K333 HydrophobicContact CD1-CG 4.08Å; F314-K333 HydrophobicContact CE1-CB 3.94Å; F314-K333 HydrophobicContact CE1-CD 3.86Å; F314-K333 HydrophobicContact CE1-CG 3.64Å; F314-K333 HydrophobicContact CZ-CD 4.32Å; F314-K333 HydrophobicContact CZ-CG 4.21Å; F314-M374 CarbonylContact O-C 3.55Å; F314-M374 WeakPolarHBondContact O-CA 3.39Å; F314-S375 PolarHBondContact N-O 3Å; F314-S375 PolarHBondContact O-N 3.07Å; F314-V377 WeakPolarHBondContact CE2-O 3.25Å; F314-K378 VanDerWaalsContact CD2-C 3.41Å; F314-K378 WeakPolarHBondContact CD2-O 3.5Å; F314-K378 VanDerWaalsContact CE2-C 3.44Å; F314-G379 VanDerWaalsContact CD1-CA 3.45Å; F314-G379 VanDerWaalsContact CE2-N 3.3Å; F314-G379 VanDerWaalsContact CG-CA 3.42Å; F314-W380 HydrophobicContact CB-CE3 4.01Å; F314-W380 HydrophobicContact CB-CZ3 3.58Å; F314-W380 WeakPolarHBondContact O-CH2 3.34Å; F314-W380 VanDerWaalsContact O-CZ3 3.23Å; F314-W380 WeakPolarHBondContact O-CZ3 3.47Å; F314-Y384 HydrophobicContact CD1-CE1 4.41Å; F314-Y384 HydrophobicContact CD1-CE2 4.41Å; F314-Y384 AromaticContact CD1-CZ 3.91Å; F314-Y384 AromaticContact CE1-CE1 3.78Å; F314-Y384 HydrophobicContact CE1-CE1 3.78Å; F314-Y384 AromaticContact CE1-CZ 3.6Å; F314-Y384 VanDerWaalsContact CE1-OH 3.24Å; F314-Y384 WeakPolarHBondContact CE1-OH 3.45Å; F314-Y384 HydrophobicContact CZ-CE1 4.46Å
315V98.3Very high96.2Very high2 Ų232 Ų321%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-123.8128.6-168.5-175.50000110.6V331 C332 I334 I342 I372 R373 M374V315-V331 CarbonylContact O-C 3.14Å; V315-V331 WeakPolarHBondContact O-CA 3.48Å; V315-C332 PolarHBondContact N-O 3.03Å; V315-C332 PolarHBondContact O-N 3.42Å; V315-I334 HydrophobicContact CB-CD1 4.47Å; V315-I334 HydrophobicContact CG2-CD1 3.5Å; V315-I334 VanDerWaalsContact CG2-CD1 3.5Å; V315-I334 HydrophobicContact CG2-CG1 4.13Å; V315-I342 HydrophobicContact CG1-CG2 3.87Å; V315-I372 HydrophobicContact CG1-CG2 3.82Å; V315-R373 WeakPolarHBondContact CA-O 3.41Å; V315-M374 HydrophobicContact CB-CG 4.28Å; V315-M374 HydrophobicContact CG1-CG 3.97Å; V315-M374 HydrophobicContact CG1-SD 4.39Å; V315-M374 HydrophobicContact CG2-CE 3.48Å; V315-M374 VanDerWaalsContact CG2-CE 3.48Å; V315-M374 HydrophobicContact CG2-CG 3.84Å; V315-M374 HydrophobicContact CG2-SD 4.02Å
316Q98.1Very high96Very high30 Ų3037.9 Ų37.914%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-110.8105.2166.6-178.4-179.570.100107.8A329 V331 R373 W380Q316-A329 PolarHBondContact NE2-O 3.38Å; Q316-V331 HydrophobicContact CB-CG2 4.34Å; Q316-R373 HydrophobicContact CB-CB 4.49Å; Q316-R373 PolarHBondContact N-O 3.25Å; Q316-R373 PolarHBondContact O-N 2.97Å; Q316-W380 HydrophobicContact CB-CH2 4.16Å; Q316-W380 HydrophobicContact CB-CZ2 3.56Å
317S97.8Very high95.8Very high2 Ų242.8 Ų42.81%0.01422%0.219CC..  trans-121.7112.1171.3169.60000108.7N319 C320 N321 I342S317-N319 VanDerWaalsContact C-N 3.26Å; S317-N319 PolarHBondContact O-N 3.27Å; S317-C320 PolarHBondContact O-N 3.38Å; S317-C320 PolarHBondContact OG-N 2.67Å; S317-N321 WeakPolarHBondContact O-CB 3.29Å; S317-N321 PolarHBondContact O-N 3.42Å; S317-N321 PolarHBondContact O-ND2 3.33Å; S317-I342 VanDerWaalsContact CB-O 3.29Å; S317-I342 WeakPolarHBondContact CB-O 3.41Å; S317-I342 PolarHBondContact OG-O 3.15Å
318P95.7Very high95.6Very high18 Ų1846.5 Ų46.512%0.11724%0.244CC..Hα-helixtrans-57.6-37.5176.7-29.739.5000113.1N321 Q322 M369P318-N321 PolarHBondContact O-N 3.48Å; P318-Q322 WeakPolarHBondContact O-CB 3.2Å; P318-Q322 PolarHBondContact O-N 2.85Å; P318-M369 HydrophobicContact CB-CE 4.32Å; P318-M369 HydrophobicContact CB-SD 3.36Å; P318-M369 WeakPolarHBondContact CB-SD 3.4Å
319N95.4Very high95.4Very high5 Ų547.7 Ų47.73%0.02726%0.257CS..Hα-helixtrans-61.3-46.7175.1-178.7-94.9000112.1S317 R323 F343 N344 M369S317-N319 VanDerWaalsContact C-N 3.26Å; S317-N319 PolarHBondContact O-N 3.27Å; N319-R323 PolarHBondContact O-N 3.47Å; N319-F343 HydrophobicContact CB-CD2 3.49Å; N319-F343 VanDerWaalsContact CB-CD2 3.49Å; N319-F343 HydrophobicContact CB-CE2 3.69Å; N319-F343 HydrophobicContact CB-CG 4.4Å; N319-F343 WeakPolarHBondContact OD1-CA 3.22Å; N319-N344 PolarHBondContact OD1-N 3.27Å; N319-M369 VanDerWaalsContact CA-CE 3.43Å; N319-M369 HydrophobicContact CB-CE 3.98Å
320C93.8Very high95.4Very high2 Ų249.7 Ų49.71%0.01427%0.269CS..Hα-helixtrans-63.8-43.8176-174.10000111.6S317 Q322 R323 Y324S317-C320 PolarHBondContact O-N 3.38Å; S317-C320 PolarHBondContact OG-N 2.67Å; C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 3.01Å; C320-R323 WeakPolarHBondContact O-CB 3.22Å; C320-R323 PolarHBondContact O-N 3.3Å; C320-Y324 WeakPolarHBondContact O-CD2 3.5Å; C320-Y324 PolarHBondContact O-N 3.33Å
321N94.7Very high95.4Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-63-42.9-178.6-69.2-17.2000111.3S317 P318 R323 Y324 G325 W326 P328 T330S317-N321 WeakPolarHBondContact O-CB 3.29Å; S317-N321 PolarHBondContact O-N 3.42Å; S317-N321 PolarHBondContact O-ND2 3.33Å; P318-N321 PolarHBondContact O-N 3.48Å; N321-R323 PolarHBondContact O-N 3.2Å; N321-Y324 PolarHBondContact O-N 2.9Å; N321-G325 PolarHBondContact O-N 2.88Å; N321-G325 VanDerWaalsContact O-N 3.15Å; N321-W326 HydrophobicContact CB-CB 4.3Å; N321-W326 PolarHBondContact O-N 2.96Å; N321-P328 PolarHBondContact ND2-O 2.86Å; N321-T330 PolarHBondContact ND2-N 3.25Å; N321-T330 PolarHBondContact ND2-O 2.56Å
322Q93.2Very high95.4Very high101 Ų10143.1 Ų43.147%0.47223%0.234SC..Hα-helixtrans-62.2-41.1176.9-177.3170.1-20.600112.4P318 C320 Y324 G325 L351 M369P318-Q322 WeakPolarHBondContact O-CB 3.2Å; P318-Q322 PolarHBondContact O-N 2.85Å; C320-Q322 VanDerWaalsContact C-N 3.35Å; C320-Q322 PolarHBondContact O-N 3.01Å; Q322-Y324 PolarHBondContact O-N 2.71Å; Q322-G325 PolarHBondContact O-N 2.72Å; Q322-L351 VanDerWaalsContact OE1-CD2 3.32Å; Q322-M369 HydrophobicContact CB-CE 4.5Å; Q322-M369 VanDerWaalsContact OE1-CE 3.28Å
323R91.4Very high95.3Very high67 Ų6748.4 Ų48.425%0.25325%0.254SS..Hα-helixtrans-56.2-39.1176.7-175-166.8-63.4135.511.4112.6N319 C320 N321 K341 N344 E347N319-R323 PolarHBondContact O-N 3.47Å; C320-R323 WeakPolarHBondContact O-CB 3.22Å; C320-R323 PolarHBondContact O-N 3.3Å; N321-R323 PolarHBondContact O-N 3.2Å; R323-K341 PolarHBondContact NH1-O 2.92Å; R323-K341 VanDerWaalsContact NH1-O 3.09Å; R323-N344 VanDerWaalsContact NH2-CB 3.26Å; R323-E347 IonicContact CZ-OE1 3.61Å; R323-E347 IonicContact CZ-OE2 3.54Å; R323-E347 IonicContact NE-OE1 2.72Å; R323-E347 PolarHBondContact NE-OE1 3.47Å; R323-E347 IonicContact NE-OE2 2.83Å; R323-E347 PolarHBondContact NE-OE2 3.48Å; R323-E347 IonicContact NH2-OE1 3.23Å; R323-E347 IonicContact NH2-OE2 2.72Å; R323-E347 PolarHBondContact NH2-OE2 2.9Å
324Y91.3Very high95.3Very high115 Ų11548.5 Ų48.545%0.45126%0.255SS..THydrogen-bonded Turntrans-92.33.5-179.4-65.8-69.3000113.7C320 N321 Q322 W326C320-Y324 WeakPolarHBondContact O-CD2 3.5Å; C320-Y324 PolarHBondContact O-N 3.33Å; N321-Y324 PolarHBondContact O-N 2.9Å; Q322-Y324 PolarHBondContact O-N 2.71Å; Y324-W326 VanDerWaalsContact C-N 3.25Å; Y324-W326 HydrophobicContact CD2-CE3 4.26Å; Y324-W326 HydrophobicContact CD2-CH2 4.04Å; Y324-W326 AromaticContact CD2-CZ3 3.81Å; Y324-W326 HydrophobicContact CD2-CZ3 3.81Å; Y324-W326 HydrophobicContact CG-CE3 4.41Å; Y324-W326 HydrophobicContact CG-CH2 4.05Å; Y324-W326 HydrophobicContact CG-CZ2 4.2Å; Y324-W326 HydrophobicContact CG-CZ3 4.13Å; Y324-W326 PolarHBondContact O-N 2.8Å
325G93.1Very high95.3Very high70 Ų7050.8 Ų50.872%0.72227%0.271SS*.THydrogen-bonded Turntrans67.823.6-177.300000113.8N321 Q322N321-G325 PolarHBondContact O-N 2.88Å; N321-G325 VanDerWaalsContact O-N 3.15Å; Q322-G325 PolarHBondContact O-N 2.72Å
326W94.4Very high95.2Very high122 Ų12253.7 Ų53.746%0.46229%0.289SS..  trans-88.5158.4176.9-61.5-24.5000111.6N321 Y324 T330 C332N321-W326 HydrophobicContact CB-CB 4.3Å; N321-W326 PolarHBondContact O-N 2.96Å; Y324-W326 VanDerWaalsContact C-N 3.25Å; Y324-W326 HydrophobicContact CD2-CE3 4.26Å; Y324-W326 HydrophobicContact CD2-CH2 4.04Å; Y324-W326 AromaticContact CD2-CZ3 3.81Å; Y324-W326 HydrophobicContact CD2-CZ3 3.81Å; Y324-W326 HydrophobicContact CG-CE3 4.41Å; Y324-W326 HydrophobicContact CG-CH2 4.05Å; Y324-W326 HydrophobicContact CG-CZ2 4.2Å; Y324-W326 HydrophobicContact CG-CZ3 4.13Å; Y324-W326 PolarHBondContact O-N 2.8Å; W326-T330 HydrophobicContact CB-CG2 4.24Å; W326-T330 HydrophobicContact CD2-CG2 4.44Å; W326-T330 HydrophobicContact CE3-CG2 4.18Å; W326-C332 WeakPolarHBondContact CZ3-SG 3.42Å
327H94.4Very high94.7Very high137 Ų13755 Ų5563%0.63431%0.312SS*.  trans-56136.8174.3-174.2-91.5000110.2A329 T330H327-A329 WeakPolarHBondContact ND1-CB 3.26Å; H327-A329 PolarHBondContact ND1-N 2.85Å; H327-A329 PolarHBondContact O-N 2.88Å; H327-T330 PolarHBondContact N-OG1 2.97Å; H327-T330 WeakPolarHBondContact O-CB 3.31Å; H327-T330 PolarHBondContact O-N 3.18Å; H327-T330 PolarHBondContact O-OG1 2.83Å
328P91.8Very high94.6Very high79 Ų7957.6 Ų57.651%0.51333%0.329SS..THydrogen-bonded Turntrans-56.2-27.4-175-29.235.9000114.7N321 T330N321-P328 PolarHBondContact ND2-O 2.86Å; P328-T330 VanDerWaalsContact C-N 3.31Å; P328-T330 PolarHBondContact O-N 3.33Å
329A93.6Very high94.5Very high49 Ų4961.1 Ų61.141%0.40535%0.347SS..THydrogen-bonded Turntrans-82.62176.600000114.9Q316 H327Q316-A329 PolarHBondContact NE2-O 3.38Å; H327-A329 WeakPolarHBondContact ND1-CB 3.26Å; H327-A329 PolarHBondContact ND1-N 2.85Å; H327-A329 PolarHBondContact O-N 2.88Å
330T95.8Very high94.4Very high45 Ų4562.6 Ų62.628%0.27636%0.355SS..  trans-60.3141.1-178.5-59.40000111.5N321 W326 H327 P328N321-T330 PolarHBondContact ND2-N 3.25Å; N321-T330 PolarHBondContact ND2-O 2.56Å; W326-T330 HydrophobicContact CB-CG2 4.24Å; W326-T330 HydrophobicContact CD2-CG2 4.44Å; W326-T330 HydrophobicContact CE3-CG2 4.18Å; H327-T330 PolarHBondContact N-OG1 2.97Å; H327-T330 WeakPolarHBondContact O-CB 3.31Å; H327-T330 PolarHBondContact O-N 3.18Å; H327-T330 PolarHBondContact O-OG1 2.83Å; P328-T330 VanDerWaalsContact C-N 3.31Å; P328-T330 PolarHBondContact O-N 3.33Å
331V97.6Very high94.5Very high22 Ų2265.4 Ų65.413%0.13337%0.366CS..  trans-113.9114.6-179.9-177.20000109.3F314 V315 Q316 W380F314-V331 HydrophobicContact CB-CG1 3.76Å; V315-V331 CarbonylContact O-C 3.14Å; V315-V331 WeakPolarHBondContact O-CA 3.48Å; Q316-V331 HydrophobicContact CB-CG2 4.34Å; V331-W380 VanDerWaalsContact CB-O 3.31Å; V331-W380 WeakPolarHBondContact CB-O 3.31Å; V331-W380 HydrophobicContact CG1-CD2 4.08Å; V331-W380 HydrophobicContact CG1-CE3 3.9Å; V331-W380 HydrophobicContact CG1-CH2 3.95Å; V331-W380 HydrophobicContact CG1-CZ2 4.14Å; V331-W380 HydrophobicContact CG1-CZ3 3.82Å; V331-W380 HydrophobicContact CG2-CD2 3.95Å; V331-W380 VanDerWaalsContact CG2-CE2 3.5Å; V331-W380 HydrophobicContact CG2-CG 4.26Å; V331-W380 HydrophobicContact CG2-CH2 4.49Å; V331-W380 HydrophobicContact CG2-CZ2 3.84Å; V331-W380 VanDerWaalsContact CG2-O 3.26Å; V331-W380 WeakPolarHBondContact CG2-O 3.22Å
332C96.9Very high94.6Very high17 Ų1765.4 Ų65.412%0.11537%0.366CS..EExtended strand (participates in β ladder)trans-89.6126.7-179.2-61.50000110.6F314 V315 W326 L340F314-C332 CarbonylContact C-O 3.56Å; F314-C332 WeakPolarHBondContact CA-O 3.28Å; V315-C332 PolarHBondContact N-O 3.03Å; V315-C332 PolarHBondContact O-N 3.42Å; W326-C332 WeakPolarHBondContact CZ3-SG 3.42Å; C332-L340 HydrophobicContact CB-CD2 3.93Å
333K97.8Very high94.8Very high123 Ų12360.6 Ų60.654%0.53534%0.344SS..EExtended strand (participates in β ladder)trans-84127.5172.9-177.8-179179.9-177.10110A312 F314A312-K333 HydrophobicContact CB-CG 4.1Å; F314-K333 HydrophobicContact CD1-CB 3.98Å; F314-K333 HydrophobicContact CD1-CG 4.08Å; F314-K333 HydrophobicContact CE1-CB 3.94Å; F314-K333 HydrophobicContact CE1-CD 3.86Å; F314-K333 HydrophobicContact CE1-CG 3.64Å; F314-K333 HydrophobicContact CZ-CD 4.32Å; F314-K333 HydrophobicContact CZ-CG 4.21Å
334I97.8Very high94.9Very high4 Ų457.8 Ų57.82%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-108.2108.3170.7-51.8176.2000107.8A305 C307 A312 I313 V315 C338 L340A305-I334 HydrophobicContact CB-CD1 4Å; C307-I334 HydrophobicContact CB-CG2 3.86Å; A312-I334 WeakPolarHBondContact CA-O 3.37Å; A312-I334 WeakPolarHBondContact CB-O 3.49Å; I313-I334 HydrophobicContact CD1-CB 4.29Å; I313-I334 HydrophobicContact CD1-CD1 4.17Å; I313-I334 HydrophobicContact CG1-CB 3.71Å; I313-I334 HydrophobicContact CG1-CD1 4.22Å; I313-I334 HydrophobicContact CG1-CG1 4.33Å; I313-I334 HydrophobicContact CG1-CG2 4.39Å; I313-I334 PolarHBondContact N-O 3.17Å; I313-I334 VanDerWaalsContact N-O 3.08Å; I313-I334 PolarHBondContact O-N 2.9Å; V315-I334 HydrophobicContact CB-CD1 4.47Å; V315-I334 HydrophobicContact CG2-CD1 3.5Å; V315-I334 VanDerWaalsContact CG2-CD1 3.5Å; V315-I334 HydrophobicContact CG2-CG1 4.13Å; I334-C338 HydrophobicContact CG2-CB 3.95Å; I334-C338 WeakPolarHBondContact CG2-O 3.39Å; I334-L340 HydrophobicContact CD1-CB 3.6Å; I334-L340 HydrophobicContact CD1-CD2 4.05Å; I334-L340 HydrophobicContact CD1-CG 4.47Å; I334-L340 HydrophobicContact CG1-CB 3.99Å; I334-L340 HydrophobicContact CG1-CD2 4.11Å
335P97.6Very high94.9Very high57 Ų5752.6 Ų52.637%0.3731%0.314SS..  trans-66.3161.9176.6-20.533.3000113.1C307 G337 C338C307-P335 VanDerWaalsContact CB-O 3.29Å; C307-P335 WeakPolarHBondContact CB-O 3.4Å; P335-G337 PolarHBondContact O-N 3.16Å; P335-C338 WeakPolarHBondContact O-CB 3.12Å; P335-C338 PolarHBondContact O-N 2.86Å; P335-C338 VanDerWaalsContact O-N 3.08Å
336P96.8Very high94.7Very high62 Ų6254 Ų5440%0.40330%0.302SS..THydrogen-bonded Turntrans-50.7130.8173.4-28.837.3000112.9S309 D310 C338S309-P336 WeakPolarHBondContact O-CB 3.33Å; D310-P336 WeakPolarHBondContact O-CG 3.2Å; P336-C338 PolarHBondContact O-N 2.94Å
337G88.8Confident94.6Very high59 Ų5951.2 Ų51.261%0.60829%0.294SS*.THydrogen-bonded Turntrans78.5-4.2-179.900000115.5C307 P335C307-G337 WeakPolarHBondContact O-CA 3.36Å; C307-G337 PolarHBondContact O-N 2.9Å; P335-G337 PolarHBondContact O-N 3.16Å
338C93.9Very high94.6Very high56 Ų5644.8 Ų44.838%0.37826%0.264SS..  trans-89.6159174.5-61.60000111.7E306 C307 I334 P335 P336E306-C338 WeakPolarHBondContact CA-O 3.23Å; C307-C338 PolarHBondContact N-O 2.83Å; I334-C338 HydrophobicContact CG2-CB 3.95Å; I334-C338 WeakPolarHBondContact CG2-O 3.39Å; P335-C338 WeakPolarHBondContact O-CB 3.12Å; P335-C338 PolarHBondContact O-N 2.86Å; P335-C338 VanDerWaalsContact O-N 3.08Å; P336-C338 PolarHBondContact O-N 2.94Å
339N93.9Very high94.5Very high91 Ų9141.2 Ų41.249%0.48724%0.241SC..EExtended strand (participates in β ladder)trans-129.3155.7171.367.588.2000111.1A305 E306A305-N339 CarbonylContact O-C 3.49Å; A305-N339 WeakPolarHBondContact O-CA 3.2Å; E306-N339 HydrophobicContact CB-CB 3.89Å; E306-N339 HydrophobicContact CG-CB 4.13Å
340L93.4Very high94.3Very high37 Ų3741.9 Ų41.919%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-138.5138.9178.7-178.864.7000109.9F304 A305 C332 I334 I342F304-L340 CarbonylContact C-O 3.55Å; F304-L340 VanDerWaalsContact CA-O 3.29Å; F304-L340 WeakPolarHBondContact CA-O 3.47Å; A305-L340 PolarHBondContact N-O 2.79Å; A305-L340 PolarHBondContact O-N 2.84Å; C332-L340 HydrophobicContact CB-CD2 3.93Å; I334-L340 HydrophobicContact CD1-CB 3.6Å; I334-L340 HydrophobicContact CD1-CD2 4.05Å; I334-L340 HydrophobicContact CD1-CG 4.47Å; I334-L340 HydrophobicContact CG1-CB 3.99Å; I334-L340 HydrophobicContact CG1-CD2 4.11Å; L340-I342 HydrophobicContact CB-CG2 4.35Å; L340-I342 HydrophobicContact CD2-CG2 4.22Å; L340-I342 HydrophobicContact CG-CG2 4.21Å; L340-I342 PolarHBondContact O-N 2.95Å
341K95.8Very high94.1Very high60 Ų6040.8 Ų40.826%0.26124%0.239SC..EExtended strand (participates in β ladder)trans-77.7100.9169.9-173.3-174.7-59.9-175.50109.6E302 V303 F304 R323E302-K341 HydrophobicContact CB-CD 4.49Å; E302-K341 VanDerWaalsContact CD-CE 3.48Å; E302-K341 VanDerWaalsContact CD-NZ 3.25Å; E302-K341 WeakPolarHBondContact OE1-CD 3.48Å; E302-K341 VanDerWaalsContact OE1-CE 3.29Å; E302-K341 WeakPolarHBondContact OE1-CE 3.35Å; E302-K341 IonicContact OE1-NZ 3.76Å; E302-K341 PolarHBondContact OE1-NZ 3.45Å; E302-K341 WeakPolarHBondContact OE2-CE 3.46Å; E302-K341 IonicContact OE2-NZ 2.84Å; E302-K341 PolarHBondContact OE2-NZ 3.47Å; E302-K341 VanDerWaalsContact OE2-NZ 3.13Å; V303-K341 CarbonylContact O-C 3.58Å; F304-K341 HydrophobicContact CD1-CB 3.82Å; F304-K341 HydrophobicContact CD1-CG 4.29Å; F304-K341 HydrophobicContact CE1-CB 3.62Å; F304-K341 HydrophobicContact CE1-CD 4.47Å; F304-K341 HydrophobicContact CE1-CG 3.92Å; F304-K341 HydrophobicContact CZ-CB 4.29Å; F304-K341 HydrophobicContact CZ-CD 4.36Å; F304-K341 HydrophobicContact CZ-CG 4.09Å; R323-K341 PolarHBondContact NH1-O 2.92Å; R323-K341 VanDerWaalsContact NH1-O 3.09Å
342I97.1Very high93.8Very high0 Ų039.7 Ų39.70%023%0.233CC..EExtended strand (participates in β ladder)trans-89.2-18.6-172.858.3165.2000113.1L296 V303 A305 V315 S317 L340 I372 L398L296-I342 HydrophobicContact CD2-CD1 4.08Å; V303-I342 HydrophobicContact CB-CD1 4.48Å; V303-I342 HydrophobicContact CB-CG1 4.06Å; V303-I342 HydrophobicContact CG1-CD1 3.72Å; V303-I342 HydrophobicContact CG1-CG1 3.8Å; V303-I342 VanDerWaalsContact O-CG1 3.28Å; V303-I342 WeakPolarHBondContact O-CG1 3.43Å; V303-I342 PolarHBondContact O-N 3.03Å; A305-I342 HydrophobicContact CB-CD1 4Å; A305-I342 HydrophobicContact CB-CG1 4.38Å; A305-I342 HydrophobicContact CB-CG2 3.8Å; V315-I342 HydrophobicContact CG1-CG2 3.87Å; S317-I342 VanDerWaalsContact CB-O 3.29Å; S317-I342 WeakPolarHBondContact CB-O 3.41Å; S317-I342 PolarHBondContact OG-O 3.15Å; L340-I342 HydrophobicContact CB-CG2 4.35Å; L340-I342 HydrophobicContact CD2-CG2 4.22Å; L340-I342 HydrophobicContact CG-CG2 4.21Å; L340-I342 PolarHBondContact O-N 2.95Å; I342-I372 HydrophobicContact CB-CD1 4.31Å; I342-I372 HydrophobicContact CD1-CD1 3.98Å; I342-I372 HydrophobicContact CD1-CG2 4.35Å; I342-I372 HydrophobicContact CG1-CD1 4.22Å; I342-L398 HydrophobicContact CD1-CD2 4.45Å
343F97Very high93.4Very high0 Ų041 Ų410%025%0.245CC..EExtended strand (participates in β ladder)trans-151.4148.1175.9-161.8-95000111.8E302 V303 N319 N345 F348 M369 I372 L400 P403E302-F343 WeakPolarHBondContact CA-O 3.44Å; V303-F343 HydrophobicContact CB-CB 3.83Å; V303-F343 HydrophobicContact CG2-CB 3.98Å; V303-F343 PolarHBondContact N-O 3.46Å; V303-F343 PolarHBondContact O-N 3.14Å; V303-F343 VanDerWaalsContact O-N 3.13Å; N319-F343 HydrophobicContact CB-CD2 3.49Å; N319-F343 VanDerWaalsContact CB-CD2 3.49Å; N319-F343 HydrophobicContact CB-CE2 3.69Å; N319-F343 HydrophobicContact CB-CG 4.4Å; N319-F343 WeakPolarHBondContact OD1-CA 3.22Å; F343-N345 WeakPolarHBondContact CE1-OD1 3.43Å; F343-F348 HydrophobicContact CE1-CB 4Å; F343-F348 HydrophobicContact CE1-CG 4.43Å; F343-F348 HydrophobicContact CZ-CB 3.64Å; F343-F348 HydrophobicContact CZ-CD1 4.45Å; F343-F348 AromaticContact CZ-CD2 3.97Å; F343-F348 HydrophobicContact CZ-CD2 3.97Å; F343-F348 AromaticContact CZ-CG 3.76Å; F343-F348 HydrophobicContact CZ-CG 3.76Å; F343-M369 WeakPolarHBondContact CE2-O 3.29Å; F343-I372 HydrophobicContact CB-CD1 4.11Å; F343-I372 HydrophobicContact CD2-CD1 4.25Å; F343-L400 HydrophobicContact CB-CD1 3.78Å; F343-L400 HydrophobicContact CD1-CD1 3.51Å; F343-L400 HydrophobicContact CD2-CD1 3.31Å; F343-L400 HydrophobicContact CE1-CD1 3.83Å; F343-L400 HydrophobicContact CE2-CD1 3.64Å; F343-L400 HydrophobicContact CG-CD1 3.23Å; F343-L400 HydrophobicContact CZ-CD1 3.88Å; F343-P403 HydrophobicContact CE1-CB 4.35Å; F343-P403 HydrophobicContact CE1-CG 3.57Å; F343-P403 HydrophobicContact CZ-CB 4.02Å; F343-P403 HydrophobicContact CZ-CG 3.73Å
344N93.9Very high93.1Very high8 Ų840.7 Ų40.74%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-136.8125.9169.3175.7-60.8000110.1E302 N319 R323 Q346 E347 F348E302-N344 PolarHBondContact OE1-ND2 2.86Å; N319-N344 PolarHBondContact OD1-N 3.27Å; R323-N344 VanDerWaalsContact NH2-CB 3.26Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.24Å; N344-Q346 VanDerWaalsContact OD1-CB 3.29Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.15Å; N344-Q346 PolarHBondContact OD1-N 2.88Å; N344-E347 HydrophobicContact CB-CB 4.32Å; N344-E347 HydrophobicContact CB-CG 4.16Å; N344-E347 PolarHBondContact O-N 3.22Å; N344-E347 PolarHBondContact OD1-N 2.86Å; N344-F348 PolarHBondContact O-N 2.65Å; N344-F348 VanDerWaalsContact O-N 3.16Å
345N91.1Very high92.7Very high6 Ų640.7 Ų40.73%0.03225%0.246CC..Hα-helixtrans-67.6-32.3-177.6-79.4-11.3000113.6L134 Y298 G301 F343 F348 A349L134-N345 HydrophobicContact CD1-CB 3.8Å; L134-N345 HydrophobicContact CD2-CB 4.31Å; Y298-N345 PolarHBondContact OH-ND2 2.79Å; Y298-N345 VanDerWaalsContact OH-ND2 3.16Å; G301-N345 VanDerWaalsContact O-CB 3.24Å; G301-N345 WeakPolarHBondContact O-CB 3.5Å; G301-N345 VanDerWaalsContact O-CG 3.27Å; G301-N345 PolarHBondContact O-N 2.89Å; F343-N345 WeakPolarHBondContact CE1-OD1 3.43Å; N345-F348 PolarHBondContact O-N 3.43Å; N345-A349 VanDerWaalsContact O-CB 3.31Å; N345-A349 WeakPolarHBondContact O-CB 3.27Å; N345-A349 PolarHBondContact O-N 2.81Å
346Q89.5Confident92.3Very high99 Ų9938.2 Ų38.246%0.46323%0.229SC..Hα-helixtrans-68.8-42.3178-62.5-178.8-44.100111.4P132 L134 N344 F348 A349 A350P132-Q346 HydrophobicContact CB-CG 4.42Å; P132-Q346 VanDerWaalsContact CG-CD 3.5Å; P132-Q346 HydrophobicContact CG-CG 3.78Å; L134-Q346 HydrophobicContact CD2-CB 4.21Å; L134-Q346 HydrophobicContact CD2-CG 3.64Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.24Å; N344-Q346 VanDerWaalsContact OD1-CB 3.29Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.15Å; N344-Q346 PolarHBondContact OD1-N 2.88Å; Q346-F348 VanDerWaalsContact C-N 3.31Å; Q346-F348 PolarHBondContact O-N 3.14Å; Q346-A349 WeakPolarHBondContact O-CB 3.26Å; Q346-A349 PolarHBondContact O-N 2.92Å; Q346-A350 PolarHBondContact O-N 2.94Å
347E91.5Very high91.7Very high65 Ų6541.3 Ų41.330%0.30424%0.242SC..Hα-helixtrans-63.6-41.2176.1-68.7171.5-174.900110.9R323 N344 L351R323-E347 IonicContact CZ-OE1 3.61Å; R323-E347 IonicContact CZ-OE2 3.54Å; R323-E347 IonicContact NE-OE1 2.72Å; R323-E347 PolarHBondContact NE-OE1 3.47Å; R323-E347 IonicContact NE-OE2 2.83Å; R323-E347 PolarHBondContact NE-OE2 3.48Å; R323-E347 IonicContact NH2-OE1 3.23Å; R323-E347 IonicContact NH2-OE2 2.72Å; R323-E347 PolarHBondContact NH2-OE2 2.9Å; N344-E347 HydrophobicContact CB-CB 4.32Å; N344-E347 HydrophobicContact CB-CG 4.16Å; N344-E347 PolarHBondContact O-N 3.22Å; N344-E347 PolarHBondContact OD1-N 2.86Å; E347-L351 WeakPolarHBondContact O-CB 3.27Å; E347-L351 PolarHBondContact O-N 2.9Å; E347-L351 VanDerWaalsContact O-N 3.09Å
348F94.2Very high91.6Very high1 Ų144.1 Ų44.10%0.00424%0.24CC..Hα-helixtrans-64.1-43.1173.4179.2-100.9000112.3F343 N344 N345 Q346 A350 L351 L352 L366 M369 P403 W406F343-F348 HydrophobicContact CE1-CB 4Å; F343-F348 HydrophobicContact CE1-CG 4.43Å; F343-F348 HydrophobicContact CZ-CB 3.64Å; F343-F348 HydrophobicContact CZ-CD1 4.45Å; F343-F348 AromaticContact CZ-CD2 3.97Å; F343-F348 HydrophobicContact CZ-CD2 3.97Å; F343-F348 AromaticContact CZ-CG 3.76Å; F343-F348 HydrophobicContact CZ-CG 3.76Å; N344-F348 PolarHBondContact O-N 2.65Å; N344-F348 VanDerWaalsContact O-N 3.16Å; N345-F348 PolarHBondContact O-N 3.43Å; Q346-F348 VanDerWaalsContact C-N 3.31Å; Q346-F348 PolarHBondContact O-N 3.14Å; F348-A350 PolarHBondContact O-N 3.2Å; F348-L351 PolarHBondContact O-N 3.16Å; F348-L352 HydrophobicContact CE1-CD2 4.07Å; F348-L352 HydrophobicContact CZ-CD2 4.5Å; F348-L352 WeakPolarHBondContact O-CB 3.18Å; F348-L352 PolarHBondContact O-N 2.86Å; F348-L366 HydrophobicContact CE2-CB 4.33Å; F348-M369 HydrophobicContact CD2-CB 4.09Å; F348-M369 HydrophobicContact CE2-CB 3.98Å; F348-P403 HydrophobicContact CD1-CB 3.97Å; F348-P403 HydrophobicContact CE1-CB 3.74Å; F348-P403 HydrophobicContact CZ-CB 4.11Å; F348-W406 HydrophobicContact CD1-CE3 4.44Å; F348-W406 HydrophobicContact CE1-CE3 4.49Å
349A89.8Confident91.2Very high4 Ų442.8 Ų42.83%0.03324%0.235CC..Hα-helixtrans-58-47.217700000112.2L134 N345 Q346 L351 L352 A353 W406L134-A349 HydrophobicContact CD2-CB 4.26Å; N345-A349 VanDerWaalsContact O-CB 3.31Å; N345-A349 WeakPolarHBondContact O-CB 3.27Å; N345-A349 PolarHBondContact O-N 2.81Å; Q346-A349 WeakPolarHBondContact O-CB 3.26Å; Q346-A349 PolarHBondContact O-N 2.92Å; A349-L351 VanDerWaalsContact C-N 3.34Å; A349-L352 PolarHBondContact O-N 3.23Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 3.42Å; A349-W406 HydrophobicContact CB-CH2 3.4Å; A349-W406 HydrophobicContact CB-CZ3 3.46Å; A349-W406 VanDerWaalsContact CB-CZ3 3.46Å
350A90.1Very high90.9Very high64 Ų6440.6 Ų40.653%0.52922%0.222SC..Hα-helixtrans-62.5-43.317900000111.3Q346 F348 A353 Q354Q346-A350 PolarHBondContact O-N 2.94Å; F348-A350 PolarHBondContact O-N 3.2Å; A350-A353 PolarHBondContact O-N 3.5Å; A350-Q354 PolarHBondContact O-N 3.49Å
351L91.8Very high90.6Very high21 Ų2143.8 Ų43.811%0.1124%0.235CC..Hα-helixtrans-64.1-44.9176.1-177.561.2000111.8Q322 E347 F348 A349 A353 Q354 S355 L366 M369Q322-L351 VanDerWaalsContact OE1-CD2 3.32Å; E347-L351 WeakPolarHBondContact O-CB 3.27Å; E347-L351 PolarHBondContact O-N 2.9Å; E347-L351 VanDerWaalsContact O-N 3.09Å; F348-L351 PolarHBondContact O-N 3.16Å; A349-L351 VanDerWaalsContact C-N 3.34Å; L351-A353 PolarHBondContact O-N 3.09Å; L351-Q354 PolarHBondContact O-N 3.49Å; L351-S355 WeakPolarHBondContact O-CB 3.35Å; L351-S355 PolarHBondContact O-N 2.97Å; L351-S355 PolarHBondContact O-OG 3.27Å; L351-S355 VanDerWaalsContact O-OG 3.14Å; L351-L366 HydrophobicContact CD2-CD2 3.57Å; L351-L366 HydrophobicContact CG-CD2 3.81Å; L351-M369 HydrophobicContact CD2-CE 3.64Å; L351-M369 HydrophobicContact CD2-CG 4.3Å; L351-M369 HydrophobicContact CD2-SD 4.39Å
352L91.8Very high90.3Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-58.9-48.2177.7178.657000111.2V137 F348 A349 Q354 S355 V356 V363 L366 W406 L407 V410V137-L352 HydrophobicContact CG1-CG 4.4Å; V137-L352 HydrophobicContact CG2-CB 4.49Å; V137-L352 HydrophobicContact CG2-CD2 3.99Å; V137-L352 HydrophobicContact CG2-CG 4Å; F348-L352 HydrophobicContact CE1-CD2 4.07Å; F348-L352 HydrophobicContact CZ-CD2 4.5Å; F348-L352 WeakPolarHBondContact O-CB 3.18Å; F348-L352 PolarHBondContact O-N 2.86Å; A349-L352 PolarHBondContact O-N 3.23Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.47Å; L352-S355 PolarHBondContact O-N 3.45Å; L352-V356 WeakPolarHBondContact O-CG2 3.47Å; L352-V356 PolarHBondContact O-N 3.18Å; L352-V356 VanDerWaalsContact O-N 3.1Å; L352-V363 HydrophobicContact CD1-CG1 3.96Å; L352-L366 HydrophobicContact CB-CD1 4.18Å; L352-L366 HydrophobicContact CD1-CD1 3.72Å; L352-W406 HydrophobicContact CD2-CD2 3.99Å; L352-W406 HydrophobicContact CD2-CE3 4.39Å; L352-W406 HydrophobicContact CD2-CG 4.06Å; L352-L407 HydrophobicContact CD1-CD1 3.61Å; L352-V410 HydrophobicContact CD1-CB 4.48Å; L352-V410 HydrophobicContact CD1-CG1 4.26Å; L352-V410 HydrophobicContact CD1-CG2 4.46Å; L352-V410 HydrophobicContact CD2-CG2 4.14Å; L352-V410 HydrophobicContact CG-CG2 4.47Å
353A88.9Confident90Very high44 Ų4442 Ų4236%0.36423%0.232SC..Hα-helixtrans-60-37176.700000112.6V137 A349 A350 L351 N357V137-A353 HydrophobicContact CG2-CB 4.37Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 3.42Å; A350-A353 PolarHBondContact O-N 3.5Å; L351-A353 PolarHBondContact O-N 3.09Å; A353-N357 PolarHBondContact O-ND2 2.98Å
354Q89.7Confident89.6Confident116 Ų11647.6 Ų47.654%0.54225%0.254SS..Hα-helixtrans-69.9-43.6175.9-173.1-178.94.400112.1A350 L351 L352 V356 N357A350-Q354 PolarHBondContact O-N 3.49Å; L351-Q354 PolarHBondContact O-N 3.49Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.47Å; Q354-V356 VanDerWaalsContact C-N 3.31Å; Q354-V356 PolarHBondContact O-N 3.36Å; Q354-N357 PolarHBondContact O-N 3.36Å
355S90.5Very high89.5Confident5 Ų550.5 Ų50.54%0.03527%0.267CS..Hα-helixtrans-69.1-25.5-176.7-67.50000113.5L351 L352 N357 Q358 V363L351-S355 WeakPolarHBondContact O-CB 3.35Å; L351-S355 PolarHBondContact O-N 2.97Å; L351-S355 PolarHBondContact O-OG 3.27Å; L351-S355 VanDerWaalsContact O-OG 3.14Å; L352-S355 PolarHBondContact O-N 3.45Å; S355-N357 PolarHBondContact O-N 2.9Å; S355-Q358 WeakPolarHBondContact O-CA 3.29Å; S355-Q358 WeakPolarHBondContact O-CB 3.29Å; S355-Q358 PolarHBondContact O-N 2.92Å; S355-V363 WeakPolarHBondContact O-CG2 3.47Å
356V88.9Confident89.5Confident5 Ų550.7 Ų50.73%0.0327%0.268CS..Hα-helixtrans-55.4-38.2173.7167.70000111.7V137 V139 P140 L352 Q354 Q358 G359 V363 V410 M414V137-V356 HydrophobicContact CG1-CG2 3.77Å; V139-V356 HydrophobicContact CG1-CG1 4.47Å; P140-V356 HydrophobicContact CG-CG1 4.38Å; L352-V356 WeakPolarHBondContact O-CG2 3.47Å; L352-V356 PolarHBondContact O-N 3.18Å; L352-V356 VanDerWaalsContact O-N 3.1Å; Q354-V356 VanDerWaalsContact C-N 3.31Å; Q354-V356 PolarHBondContact O-N 3.36Å; V356-Q358 PolarHBondContact O-N 3.37Å; V356-G359 PolarHBondContact O-N 3.2Å; V356-V363 HydrophobicContact CG2-CG2 4.14Å; V356-V410 HydrophobicContact CG2-CG1 3.61Å; V356-M414 HydrophobicContact CG1-CE 4.43Å; V356-M414 HydrophobicContact CG1-SD 4.41Å; V356-M414 HydrophobicContact CG2-SD 4.29Å; V356-M414 WeakPolarHBondContact O-CE 3.36Å
357N85.1Confident89.7Confident126 Ų12648.1 Ų48.167%0.67426%0.259SS*.THydrogen-bonded Turntrans-74.4-10178.1-59.4-55.9000113.7A353 Q354 S355A353-N357 PolarHBondContact O-ND2 2.98Å; Q354-N357 PolarHBondContact O-N 3.36Å; S355-N357 PolarHBondContact O-N 2.9Å
358Q86.4Confident89.7Confident119 Ų11952.9 Ų52.956%0.55627%0.274SS*.THydrogen-bonded Turntrans-95.5-4.4179.2-60.3172.8800112.3S355 V356 A362S355-Q358 WeakPolarHBondContact O-CA 3.29Å; S355-Q358 WeakPolarHBondContact O-CB 3.29Å; S355-Q358 PolarHBondContact O-N 2.92Å; V356-Q358 PolarHBondContact O-N 3.37Å; Q358-A362 HydrophobicContact CB-CB 3.52Å
359G86.1Confident89.6Confident27 Ų2753.5 Ų53.528%0.27828%0.278SS..  trans96.3178.1176.700000114.5V356 E361 A362 V363V356-G359 PolarHBondContact O-N 3.2Å; G359-E361 PolarHBondContact O-N 3.43Å; G359-A362 PolarHBondContact O-N 2.87Å; G359-V363 PolarHBondContact O-N 2.8Å
360F86.7Confident89.9Confident46 Ų4653.3 Ų53.320%0.20228%0.276CS..Hα-helixtrans-56.8-47-170.5-177.9-85.1000113.3A362 V363 Y364 L411 M414 G415 P417F360-A362 VanDerWaalsContact C-N 3.34Å; F360-A362 PolarHBondContact O-N 3.43Å; F360-V363 PolarHBondContact O-N 3.17Å; F360-Y364 HydrophobicContact CE1-CD2 4.31Å; F360-Y364 HydrophobicContact CE1-CG 4.38Å; F360-Y364 WeakPolarHBondContact O-CB 3.37Å; F360-Y364 PolarHBondContact O-N 3.35Å; F360-L411 HydrophobicContact CD2-CD2 4.09Å; F360-L411 HydrophobicContact CE2-CD2 3.8Å; F360-L411 HydrophobicContact CZ-CD2 4.08Å; F360-M414 HydrophobicContact CD2-CB 4.23Å; F360-G415 VanDerWaalsContact CD2-O 3.29Å; F360-G415 WeakPolarHBondContact CD2-O 3.24Å; F360-G415 WeakPolarHBondContact CE2-O 3.2Å; F360-P417 HydrophobicContact CD1-CB 4.37Å; F360-P417 HydrophobicContact CD1-CG 3.79Å; F360-P417 HydrophobicContact CE1-CG 3.63Å; F360-P417 HydrophobicContact CZ-CG 4.31Å
361E87.8Confident90.2Very high103 Ų10351.6 Ų51.648%0.48126%0.259SS..Hα-helixtrans-63.1-40.2-175.9-17657.3-151.900112G359 V363 Y364 Q365G359-E361 PolarHBondContact O-N 3.43Å; E361-V363 VanDerWaalsContact C-N 3.33Å; E361-V363 PolarHBondContact O-N 2.83Å; E361-Y364 PolarHBondContact O-N 3.14Å; E361-Q365 VanDerWaalsContact O-CG 3.3Å; E361-Q365 WeakPolarHBondContact O-CG 3.45Å; E361-Q365 PolarHBondContact O-N 2.86Å; E361-Q365 PolarHBondContact OE1-NE2 3.06Å
362A89.3Confident90.5Very high24 Ų2450.6 Ų50.620%0.19825%0.254CS..Hα-helixtrans-61.7-42.5177.800000111.6Q358 G359 F360Q358-A362 HydrophobicContact CB-CB 3.52Å; G359-A362 PolarHBondContact O-N 2.87Å; F360-A362 VanDerWaalsContact C-N 3.34Å; F360-A362 PolarHBondContact O-N 3.43Å
363V90.4Very high90.9Very high0 Ų054.9 Ų54.90%027%0.27CS..Hα-helixtrans-68.4-42.3175.2179.80000110.8L352 S355 V356 G359 F360 E361 Q365 L366 L407 V410 L411 M414L352-V363 HydrophobicContact CD1-CG1 3.96Å; S355-V363 WeakPolarHBondContact O-CG2 3.47Å; V356-V363 HydrophobicContact CG2-CG2 4.14Å; G359-V363 PolarHBondContact O-N 2.8Å; F360-V363 PolarHBondContact O-N 3.17Å; E361-V363 VanDerWaalsContact C-N 3.33Å; E361-V363 PolarHBondContact O-N 2.83Å; V363-Q365 VanDerWaalsContact C-N 3.29Å; V363-Q365 PolarHBondContact O-N 3.18Å; V363-L366 VanDerWaalsContact O-CB 3.23Å; V363-L366 WeakPolarHBondContact O-CB 3.4Å; V363-L366 PolarHBondContact O-N 3.49Å; V363-L407 HydrophobicContact CG1-CD1 3.45Å; V363-L407 VanDerWaalsContact CG1-CD1 3.45Å; V363-L407 WeakPolarHBondContact O-CD1 3.47Å; V363-V410 HydrophobicContact CG1-CG1 4.03Å; V363-L411 HydrophobicContact CB-CD2 3.97Å; V363-L411 HydrophobicContact CG1-CD2 3.6Å; V363-L411 HydrophobicContact CG1-CG 3.86Å; V363-M414 HydrophobicContact CB-SD 4.07Å; V363-M414 HydrophobicContact CG1-SD 4.33Å; V363-M414 HydrophobicContact CG2-CE 4.22Å; V363-M414 HydrophobicContact CG2-SD 3.59Å; V363-M414 VanDerWaalsContact CG2-SD 3.59Å
364Y89.1Confident91.3Very high117 Ų11752.9 Ų52.946%0.45925%0.253SS..Hα-helixtrans-60-38.6178.3-174.2-99.6000112.3F360 E361 L366 T367 L411F360-Y364 HydrophobicContact CE1-CD2 4.31Å; F360-Y364 HydrophobicContact CE1-CG 4.38Å; F360-Y364 WeakPolarHBondContact O-CB 3.37Å; F360-Y364 PolarHBondContact O-N 3.35Å; E361-Y364 PolarHBondContact O-N 3.14Å; Y364-L366 PolarHBondContact O-N 3.46Å; Y364-T367 WeakPolarHBondContact O-CB 3.22Å; Y364-T367 WeakPolarHBondContact O-CG2 3.12Å; Y364-T367 PolarHBondContact O-N 2.95Å; Y364-T367 VanDerWaalsContact O-N 3.09Å; Y364-T367 PolarHBondContact O-OG1 2.97Å; Y364-L411 HydrophobicContact CD2-CD1 4.27Å
365Q90.3Very high91.7Very high68 Ų6847.4 Ų47.432%0.31823%0.227SC..Hα-helixtrans-62.9-23175-68.8-66.2-24.900113.3E361 V363 T367 R368E361-Q365 VanDerWaalsContact O-CG 3.3Å; E361-Q365 WeakPolarHBondContact O-CG 3.45Å; E361-Q365 PolarHBondContact O-N 2.86Å; E361-Q365 PolarHBondContact OE1-NE2 3.06Å; V363-Q365 VanDerWaalsContact C-N 3.29Å; V363-Q365 PolarHBondContact O-N 3.18Å; Q365-T367 PolarHBondContact O-N 3.48Å; Q365-R368 WeakPolarHBondContact O-CB 3.13Å; Q365-R368 PolarHBondContact O-N 3.29Å; Q365-R368 VanDerWaalsContact O-N 3.13Å
366L92.5Very high92.1Very high11 Ų1147.2 Ų47.26%0.05823%0.226CC..G310 helixtrans-66.7-13.2174.9-60.1-179000113.2F348 L351 L352 V363 Y364 R368 M369 L407F348-L366 HydrophobicContact CE2-CB 4.33Å; L351-L366 HydrophobicContact CD2-CD2 3.57Å; L351-L366 HydrophobicContact CG-CD2 3.81Å; L352-L366 HydrophobicContact CB-CD1 4.18Å; L352-L366 HydrophobicContact CD1-CD1 3.72Å; V363-L366 VanDerWaalsContact O-CB 3.23Å; V363-L366 WeakPolarHBondContact O-CB 3.4Å; V363-L366 PolarHBondContact O-N 3.49Å; Y364-L366 PolarHBondContact O-N 3.46Å; L366-R368 PolarHBondContact O-N 3.22Å; L366-M369 HydrophobicContact CB-CG 4.45Å; L366-M369 HydrophobicContact CD2-CG 3.85Å; L366-M369 WeakPolarHBondContact O-CA 3.5Å; L366-M369 VanDerWaalsContact O-CB 3.25Å; L366-M369 WeakPolarHBondContact O-CB 3.35Å; L366-M369 PolarHBondContact O-N 3.13Å; L366-L407 HydrophobicContact CB-CD1 3.96Å; L366-L407 HydrophobicContact CB-CD2 4.26Å; L366-L407 HydrophobicContact CD1-CD1 4.4Å
367T92.1Very high92.5Very high44 Ų4448.5 Ų48.527%0.2723%0.234SC..G310 helixtrans-52.1-37.5168.651.90000111.1Y364 Q365 M369 C370 L407Y364-T367 WeakPolarHBondContact O-CB 3.22Å; Y364-T367 WeakPolarHBondContact O-CG2 3.12Å; Y364-T367 PolarHBondContact O-N 2.95Å; Y364-T367 VanDerWaalsContact O-N 3.09Å; Y364-T367 PolarHBondContact O-OG1 2.97Å; Q365-T367 PolarHBondContact O-N 3.48Å; T367-M369 VanDerWaalsContact C-N 3.27Å; T367-M369 PolarHBondContact O-N 3.19Å; T367-C370 PolarHBondContact O-N 3.18Å; T367-L407 HydrophobicContact CG2-CD2 3.53Å; T367-L407 VanDerWaalsContact N-CD2 3.32Å
368R92Very high93.1Very high165 Ų16546.4 Ų46.462%0.62322%0.219SC*.G310 helixtrans-66.3-27.5177.4-60.6178.5177.9178.22.3112.8Q365 L366 C370 T371Q365-R368 WeakPolarHBondContact O-CB 3.13Å; Q365-R368 PolarHBondContact O-N 3.29Å; Q365-R368 VanDerWaalsContact O-N 3.13Å; L366-R368 PolarHBondContact O-N 3.22Å; R368-C370 VanDerWaalsContact C-N 3.25Å; R368-C370 PolarHBondContact O-N 2.67Å; R368-T371 PolarHBondContact O-N 3.05Å
369M93.2Very high93.6Very high15 Ų1541 Ų417%0.07420%0.195CC..G310 helixtrans-68.3-29.2176.7-61.1-67.4-72.300111.7P318 N319 Q322 F343 F348 L351 L366 T367 T371P318-M369 HydrophobicContact CB-CE 4.32Å; P318-M369 HydrophobicContact CB-SD 3.36Å; P318-M369 WeakPolarHBondContact CB-SD 3.4Å; N319-M369 VanDerWaalsContact CA-CE 3.43Å; N319-M369 HydrophobicContact CB-CE 3.98Å; Q322-M369 HydrophobicContact CB-CE 4.5Å; Q322-M369 VanDerWaalsContact OE1-CE 3.28Å; F343-M369 WeakPolarHBondContact CE2-O 3.29Å; F348-M369 HydrophobicContact CD2-CB 4.09Å; F348-M369 HydrophobicContact CE2-CB 3.98Å; L351-M369 HydrophobicContact CD2-CE 3.64Å; L351-M369 HydrophobicContact CD2-CG 4.3Å; L351-M369 HydrophobicContact CD2-SD 4.39Å; L366-M369 HydrophobicContact CB-CG 4.45Å; L366-M369 HydrophobicContact CD2-CG 3.85Å; L366-M369 WeakPolarHBondContact O-CA 3.5Å; L366-M369 VanDerWaalsContact O-CB 3.25Å; L366-M369 WeakPolarHBondContact O-CB 3.35Å; L366-M369 PolarHBondContact O-N 3.13Å; T367-M369 VanDerWaalsContact C-N 3.27Å; T367-M369 PolarHBondContact O-N 3.19Å; M369-T371 VanDerWaalsContact C-N 3.27Å; M369-T371 PolarHBondContact O-N 3.49Å
370C95.3Very high94.1Very high0 Ų039.9 Ų39.90%018%0.182CC..G310 helixtrans-82.8-3.6-179.6-53.90000113.7T367 R368 L400 P403 L404T367-C370 PolarHBondContact O-N 3.18Å; R368-C370 VanDerWaalsContact C-N 3.25Å; R368-C370 PolarHBondContact O-N 2.67Å; C370-L400 PolarHBondContact O-N 3.09Å; C370-P403 HydrophobicContact CB-CB 4.37Å; C370-P403 VanDerWaalsContact SG-CB 3.58Å; C370-L404 HydrophobicContact CB-CD1 4.44Å; C370-L404 HydrophobicContact CB-CD2 3.51Å; C370-L404 HydrophobicContact CB-CG 3.57Å
371T96.7Very high94.5Very high27 Ų2738.2 Ų38.217%0.16618%0.178CC..EExtended strand (participates in β ladder)trans-109.4124178.6-60.20000110.4R368 M369 E397 L398 H399R368-T371 PolarHBondContact O-N 3.05Å; M369-T371 VanDerWaalsContact C-N 3.27Å; M369-T371 PolarHBondContact O-N 3.49Å; T371-E397 HydrophobicContact CG2-CG 3.52Å; T371-L398 CarbonylContact C-O 3.6Å; T371-L398 WeakPolarHBondContact CA-O 3.3Å; T371-H399 PolarHBondContact OG1-CD2 3.33Å; T371-H399 PolarHBondContact OG1-NE2 3.37Å
372I98.3Very high94.5Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-118.1131.9177.5-60.6173.7000108.5V315 I342 F343 M374 L398 L400V315-I372 HydrophobicContact CG1-CG2 3.82Å; I342-I372 HydrophobicContact CB-CD1 4.31Å; I342-I372 HydrophobicContact CD1-CD1 3.98Å; I342-I372 HydrophobicContact CD1-CG2 4.35Å; I342-I372 HydrophobicContact CG1-CD1 4.22Å; F343-I372 HydrophobicContact CB-CD1 4.11Å; F343-I372 HydrophobicContact CD2-CD1 4.25Å; I372-M374 HydrophobicContact CG2-CG 4.23Å; I372-L398 HydrophobicContact CB-CB 4.28Å; I372-L398 PolarHBondContact N-O 3.36Å; I372-L398 PolarHBondContact O-N 3.3Å; I372-L400 HydrophobicContact CD1-CD1 4.1Å
373R98.6Very high94.4Very high91 Ų9144.6 Ų44.634%0.34322%0.219SC..EExtended strand (participates in β ladder)trans-111.1136.3179.6-68.3172.9172.7155.81.3110.5V315 Q316 W380 W395 I396 E397V315-R373 WeakPolarHBondContact CA-O 3.41Å; Q316-R373 HydrophobicContact CB-CB 4.49Å; Q316-R373 PolarHBondContact N-O 3.25Å; Q316-R373 PolarHBondContact O-N 2.97Å; R373-W380 HydrophobicContact CB-CZ2 4.31Å; R373-W395 HydrophobicContact CG-CZ3 4.16Å; R373-I396 WeakPolarHBondContact CA-O 3.14Å; R373-E397 HydrophobicContact CG-CG 4.22Å; R373-E397 IonicContact CZ-OE2 3.33Å; R373-E397 IonicContact NE-OE2 2.87Å; R373-E397 PolarHBondContact NE-OE2 3.35Å; R373-E397 IonicContact NH2-OE2 2.92Å; R373-E397 PolarHBondContact NH2-OE2 3.37Å
374M98.6Very high94.6Very high1 Ų148 Ų481%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-135.3126-178.5-60.2-173.754.100111.5V294 L296 A305 I313 F314 V315 I372 W395 I396 L398V294-M374 HydrophobicContact CB-CE 4.3Å; V294-M374 HydrophobicContact CG1-CE 4.31Å; V294-M374 HydrophobicContact CG2-CE 3.69Å; L296-M374 HydrophobicContact CD2-SD 4.06Å; A305-M374 HydrophobicContact CB-CE 3.92Å; A305-M374 HydrophobicContact CB-SD 4.3Å; I313-M374 HydrophobicContact CD1-CE 3.58Å; I313-M374 HydrophobicContact CG1-CE 4.27Å; F314-M374 CarbonylContact O-C 3.55Å; F314-M374 WeakPolarHBondContact O-CA 3.39Å; V315-M374 HydrophobicContact CB-CG 4.28Å; V315-M374 HydrophobicContact CG1-CG 3.97Å; V315-M374 HydrophobicContact CG1-SD 4.39Å; V315-M374 HydrophobicContact CG2-CE 3.48Å; V315-M374 VanDerWaalsContact CG2-CE 3.48Å; V315-M374 HydrophobicContact CG2-CG 3.84Å; V315-M374 HydrophobicContact CG2-SD 4.02Å; I372-M374 HydrophobicContact CG2-CG 4.23Å; M374-W395 CarbonylContact O-C 3.49Å; M374-W395 WeakPolarHBondContact O-CA 3.47Å; M374-W395 WeakPolarHBondContact O-CB 3.41Å; M374-I396 HydrophobicContact CB-CD1 4.34Å; M374-I396 HydrophobicContact CB-CG1 3.83Å; M374-I396 PolarHBondContact N-O 3.38Å; M374-I396 PolarHBondContact O-N 2.88Å; M374-L398 HydrophobicContact CG-CD1 4.35Å; M374-L398 HydrophobicContact SD-CD1 4.28Å; M374-L398 HydrophobicContact SD-CD2 4.46Å
375S98.6Very high94.7Very high1 Ų154 Ų541%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-105.8142.6174.4-167.70000111.5I313 F314 K378 T392 C394I313-S375 WeakPolarHBondContact CA-O 3.47Å; F314-S375 PolarHBondContact N-O 3Å; F314-S375 PolarHBondContact O-N 3.07Å; S375-K378 WeakPolarHBondContact CB-O 3.33Å; S375-K378 PolarHBondContact OG-O 3.29Å; S375-T392 WeakPolarHBondContact OG-CB 3.42Å; S375-T392 WeakPolarHBondContact OG-CG2 3.36Å; S375-T392 PolarHBondContact OG-OG1 3.42Å; S375-C394 PolarHBondContact OG-O 2.83Å; S375-C394 VanDerWaalsContact OG-O 3.12Å
376F98.5Very high95Very high2 Ų254.8 Ų54.81%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-93.8135.6176.6-61.6-83.2000110.4V257 L271 I290 V294 I313 K378 C394 I396V257-F376 HydrophobicContact CB-CZ 4.41Å; V257-F376 HydrophobicContact CG1-CZ 3.98Å; L271-F376 HydrophobicContact CD1-CD2 4.43Å; L271-F376 HydrophobicContact CD1-CE2 3.73Å; L271-F376 HydrophobicContact CD1-CZ 4.07Å; I290-F376 HydrophobicContact CD1-CB 4.45Å; I290-F376 HydrophobicContact CD1-CD2 4.28Å; I290-F376 HydrophobicContact CD1-CG 4.3Å; I290-F376 HydrophobicContact CG1-CB 3.95Å; I290-F376 HydrophobicContact CG1-CD1 4.4Å; I290-F376 HydrophobicContact CG1-CG 4.07Å; I290-F376 HydrophobicContact CG2-CD1 3.98Å; I290-F376 HydrophobicContact CG2-CE1 4.11Å; I290-F376 HydrophobicContact CG2-CG 4.42Å; V294-F376 HydrophobicContact CB-CE1 4.39Å; V294-F376 HydrophobicContact CG1-CE1 3.89Å; V294-F376 HydrophobicContact CG1-CZ 4.05Å; I313-F376 HydrophobicContact CG2-CD1 3.88Å; I313-F376 HydrophobicContact CG2-CE1 4.36Å; F376-K378 PolarHBondContact O-N 3.21Å; F376-C394 HydrophobicContact CB-CB 4.44Å; F376-C394 HydrophobicContact CD2-CB 4.33Å; F376-C394 PolarHBondContact N-O 2.86Å; F376-I396 HydrophobicContact CE2-CD1 4.37Å; F376-I396 HydrophobicContact CE2-CG1 4.22Å; F376-I396 HydrophobicContact CE2-CG2 4Å; F376-I396 HydrophobicContact CZ-CD1 4.09Å; F376-I396 HydrophobicContact CZ-CG1 4.42Å
377V97.9Very high95.1Very high31 Ų3160 Ų6019%0.18828%0.278CS..SBendtrans67.5-38.6171.3-168.30000114.8T286 H289 A312 F314T286-V377 HydrophobicContact CG2-CB 3.94Å; T286-V377 HydrophobicContact CG2-CG2 3.92Å; H289-V377 HydrophobicContact CB-CG1 4.34Å; H289-V377 HydrophobicContact CB-CG2 3.74Å; A312-V377 WeakPolarHBondContact O-CA 3.25Å; A312-V377 PolarHBondContact O-N 3.41Å; F314-V377 WeakPolarHBondContact CE2-O 3.25Å
378K97.6Very high95.3Very high82 Ų8261 Ų6136%0.35728%0.284SS..  trans-115.2125.7-174.6-56.8-56.3-178.5-171.80111F314 S375 F376 P393F314-K378 VanDerWaalsContact CD2-C 3.41Å; F314-K378 WeakPolarHBondContact CD2-O 3.5Å; F314-K378 VanDerWaalsContact CE2-C 3.44Å; S375-K378 WeakPolarHBondContact CB-O 3.33Å; S375-K378 PolarHBondContact OG-O 3.29Å; F376-K378 PolarHBondContact O-N 3.21Å; K378-P393 HydrophobicContact CG-CG 4.08Å
379G95.7Very high95.5Very high5 Ų553.6 Ų53.65%0.05226%0.257CS..  trans-80.6161.8174.300000113.6F314F314-G379 VanDerWaalsContact CD1-CA 3.45Å; F314-G379 VanDerWaalsContact CE2-N 3.3Å; F314-G379 VanDerWaalsContact CG-CA 3.42Å
380W97.9Very high95.7Very high5 Ų555.7 Ų55.72%0.01927%0.271CS..  trans-142.6169172.180.997.9000110.5F314 Q316 V331 R373 Y384 R386 V389 T392F314-W380 HydrophobicContact CB-CE3 4.01Å; F314-W380 HydrophobicContact CB-CZ3 3.58Å; F314-W380 WeakPolarHBondContact O-CH2 3.34Å; F314-W380 VanDerWaalsContact O-CZ3 3.23Å; F314-W380 WeakPolarHBondContact O-CZ3 3.47Å; Q316-W380 HydrophobicContact CB-CH2 4.16Å; Q316-W380 HydrophobicContact CB-CZ2 3.56Å; V331-W380 VanDerWaalsContact CB-O 3.31Å; V331-W380 WeakPolarHBondContact CB-O 3.31Å; V331-W380 HydrophobicContact CG1-CD2 4.08Å; V331-W380 HydrophobicContact CG1-CE3 3.9Å; V331-W380 HydrophobicContact CG1-CH2 3.95Å; V331-W380 HydrophobicContact CG1-CZ2 4.14Å; V331-W380 HydrophobicContact CG1-CZ3 3.82Å; V331-W380 HydrophobicContact CG2-CD2 3.95Å; V331-W380 VanDerWaalsContact CG2-CE2 3.5Å; V331-W380 HydrophobicContact CG2-CG 4.26Å; V331-W380 HydrophobicContact CG2-CH2 4.49Å; V331-W380 HydrophobicContact CG2-CZ2 3.84Å; V331-W380 VanDerWaalsContact CG2-O 3.26Å; V331-W380 WeakPolarHBondContact CG2-O 3.22Å; R373-W380 HydrophobicContact CB-CZ2 4.31Å; W380-Y384 VanDerWaalsContact C-CD2 3.45Å; W380-Y384 WeakPolarHBondContact O-CD2 3.32Å; W380-R386 CarbonylContact C-O 3.59Å; W380-R386 WeakPolarHBondContact CA-O 3.46Å; W380-R386 HydrophobicContact CB-CB 3.95Å; W380-R386 WeakPolarHBondContact CB-O 3.27Å; W380-V389 HydrophobicContact CD2-CB 4.2Å; W380-V389 HydrophobicContact CD2-CG2 4.15Å; W380-V389 HydrophobicContact CE3-CG2 4.37Å; W380-V389 HydrophobicContact CG-CB 4.42Å; W380-V389 HydrophobicContact CH2-CG2 4.16Å; W380-V389 HydrophobicContact CZ2-CB 4.17Å; W380-V389 HydrophobicContact CZ2-CG2 3.89Å; W380-V389 HydrophobicContact CZ3-CG2 4.38Å; W380-T392 HydrophobicContact CB-CG2 3.77Å; W380-T392 HydrophobicContact CD2-CG2 4.3Å; W380-T392 HydrophobicContact CE3-CG2 4.04Å; W380-T392 HydrophobicContact CG-CG2 4.23Å
381G94.8Very high95.8Very high10 Ų1058.2 Ų58.210%0.10329%0.289CS..SBendtrans106.4-171.6-178.400000112.3E383 Y384 R386G381-E383 PolarHBondContact O-N 3.42Å; G381-E383 VanDerWaalsContact O-N 3.1Å; G381-Y384 PolarHBondContact O-N 3.1Å; G381-Y384 VanDerWaalsContact O-O 3.12Å; G381-R386 PolarHBondContact N-O 2.93Å
382A88.2Confident95.9Very high90 Ų9056.9 Ų56.974%0.74428%0.281SS*.THydrogen-bonded Turntrans-52-37.1-173.400000113.9Y384A382-Y384 VanDerWaalsContact C-N 3.27Å; A382-Y384 PolarHBondContact O-N 3.47Å
383E86Confident95.9Very high171 Ų17157.1 Ų57.180%0.79928%0.282SS*.THydrogen-bonded Turntrans-81.32-178.2-59.9-58.7133.800114.3G381G381-E383 PolarHBondContact O-N 3.42Å; G381-E383 VanDerWaalsContact O-N 3.1Å
384Y93.9Very high95.8Very high72 Ų7252.8 Ų52.828%0.28227%0.266SS..SBendtrans-132.7156.3-173-59.1-86.1000111.9F314 W380 G381 A382 R386 Q387F314-Y384 HydrophobicContact CD1-CE1 4.41Å; F314-Y384 HydrophobicContact CD1-CE2 4.41Å; F314-Y384 AromaticContact CD1-CZ 3.91Å; F314-Y384 AromaticContact CE1-CE1 3.78Å; F314-Y384 HydrophobicContact CE1-CE1 3.78Å; F314-Y384 AromaticContact CE1-CZ 3.6Å; F314-Y384 VanDerWaalsContact CE1-OH 3.24Å; F314-Y384 WeakPolarHBondContact CE1-OH 3.45Å; F314-Y384 HydrophobicContact CZ-CE1 4.46Å; W380-Y384 VanDerWaalsContact C-CD2 3.45Å; W380-Y384 WeakPolarHBondContact O-CD2 3.32Å; G381-Y384 PolarHBondContact O-N 3.1Å; G381-Y384 VanDerWaalsContact O-O 3.12Å; A382-Y384 VanDerWaalsContact C-N 3.27Å; A382-Y384 PolarHBondContact O-N 3.47Å; Y384-R386 PolarHBondContact O-N 3.23Å; Y384-R386 VanDerWaalsContact O-N 3.16Å; Y384-Q387 PolarHBondContact O-NE2 3.34Å
385R92.9Very high95.9Very high243 Ų24353.1 Ų53.192%0.91727%0.267SS*.SBendtrans-57-31.1173.3-177.8176.9174.5-174.1-0.4112.9
386R95.6Very high95.9Very high84 Ų8453.1 Ų53.132%0.31727%0.267SS..  trans-89.2118.4179.3-68.3173.4-178.876.57.4108.7W380 G381 Y384 S391W380-R386 CarbonylContact C-O 3.59Å; W380-R386 WeakPolarHBondContact CA-O 3.46Å; W380-R386 HydrophobicContact CB-CB 3.95Å; W380-R386 WeakPolarHBondContact CB-O 3.27Å; G381-R386 PolarHBondContact N-O 2.93Å; Y384-R386 PolarHBondContact O-N 3.23Å; Y384-R386 VanDerWaalsContact O-N 3.16Å; R386-S391 WeakPolarHBondContact CD-O 3.26Å; R386-S391 PolarHBondContact NE-O 3.31Å
387Q94.8Very high95.9Very high120 Ų12054 Ų5456%0.56127%0.271SS*.  trans-85.3-30.2179.5-63.2-55.6-40.600112.7Y384Y384-Q387 PolarHBondContact O-NE2 3.34Å
388T95.8Very high95.9Very high66 Ų6652.5 Ų52.541%0.40526%0.262SS..SBendtrans-112.2151.1-179.967.60000112.5T390 S391T388-T390 PolarHBondContact O-N 2.74Å; T388-T390 PolarHBondContact OG1-OG1 2.94Å; T388-S391 WeakPolarHBondContact O-CB 3.35Å; T388-S391 PolarHBondContact O-N 3.32Å; T388-S391 VanDerWaalsContact O-N 3.09Å; T388-S391 PolarHBondContact OG1-N 3.23Å; T388-S391 PolarHBondContact OG1-OG 3.42Å
389V97.3Very high95.9Very high10 Ų1051.3 Ų51.36%0.06126%0.257CS..G310 helixtrans-61.2-32.8174.173.10000111.8W380 S391 T392 W395W380-V389 HydrophobicContact CD2-CB 4.2Å; W380-V389 HydrophobicContact CD2-CG2 4.15Å; W380-V389 HydrophobicContact CE3-CG2 4.37Å; W380-V389 HydrophobicContact CG-CB 4.42Å; W380-V389 HydrophobicContact CH2-CG2 4.16Å; W380-V389 HydrophobicContact CZ2-CB 4.17Å; W380-V389 HydrophobicContact CZ2-CG2 3.89Å; W380-V389 HydrophobicContact CZ3-CG2 4.38Å; V389-S391 PolarHBondContact O-N 2.84Å; V389-S391 VanDerWaalsContact O-N 3.14Å; V389-T392 VanDerWaalsContact O-CB 3.29Å; V389-T392 WeakPolarHBondContact O-CB 3.4Å; V389-T392 WeakPolarHBondContact O-CG2 3.33Å; V389-T392 PolarHBondContact O-N 3.23Å; V389-T392 PolarHBondContact O-OG1 3.04Å; V389-W395 HydrophobicContact CG1-CD2 4.29Å; V389-W395 HydrophobicContact CG1-CE3 4.24Å; V389-W395 HydrophobicContact CG1-CH2 4.05Å; V389-W395 HydrophobicContact CG1-CZ2 4.07Å; V389-W395 HydrophobicContact CG1-CZ3 4.11Å; V389-W395 HydrophobicContact CG2-CB 4.03Å; V389-W395 HydrophobicContact CG2-CD2 3.54Å; V389-W395 HydrophobicContact CG2-CE3 3.64Å; V389-W395 HydrophobicContact CG2-CG 3.72Å; V389-W395 HydrophobicContact CG2-CZ3 4.32Å
390T97.4Very high95.9Very high58 Ų5851.2 Ų51.236%0.35626%0.256SS..G310 helixtrans-66.7-13177.652.70000113.5L240 N241 T388 T392 W395L240-T390 CarbonylContact C-O 3.54Å; L240-T390 WeakPolarHBondContact CA-O 3.46Å; L240-T390 WeakPolarHBondContact O-CA 3.45Å; N241-T390 HydrophobicContact CB-CG2 4.22Å; T388-T390 PolarHBondContact O-N 2.74Å; T388-T390 PolarHBondContact OG1-OG1 2.94Å; T390-T392 VanDerWaalsContact C-N 3.32Å; T390-W395 HydrophobicContact CG2-CZ2 4.19Å
391S97.1Very high95.7Very high53 Ų5352.4 Ų52.437%0.37126%0.263SS..G310 helixtrans-85.9-7.3170.9-57.50000112.7R386 T388 V389R386-S391 WeakPolarHBondContact CD-O 3.26Å; R386-S391 PolarHBondContact NE-O 3.31Å; T388-S391 WeakPolarHBondContact O-CB 3.35Å; T388-S391 PolarHBondContact O-N 3.32Å; T388-S391 VanDerWaalsContact O-N 3.09Å; T388-S391 PolarHBondContact OG1-N 3.23Å; T388-S391 PolarHBondContact OG1-OG 3.42Å; V389-S391 PolarHBondContact O-N 2.84Å; V389-S391 VanDerWaalsContact O-N 3.14Å
392T97.8Very high95.4Very high0 Ų052.1 Ų52.10%026%0.259CS..SBendtrans-85.1140.8178.473.60000110.7L240 S375 W380 V389 T390 C394 W395L240-T392 WeakPolarHBondContact CA-O 3.23Å; L240-T392 PolarHBondContact N-O 3.37Å; S375-T392 WeakPolarHBondContact OG-CB 3.42Å; S375-T392 WeakPolarHBondContact OG-CG2 3.36Å; S375-T392 PolarHBondContact OG-OG1 3.42Å; W380-T392 HydrophobicContact CB-CG2 3.77Å; W380-T392 HydrophobicContact CD2-CG2 4.3Å; W380-T392 HydrophobicContact CE3-CG2 4.04Å; W380-T392 HydrophobicContact CG-CG2 4.23Å; V389-T392 VanDerWaalsContact O-CB 3.29Å; V389-T392 WeakPolarHBondContact O-CB 3.4Å; V389-T392 WeakPolarHBondContact O-CG2 3.33Å; V389-T392 PolarHBondContact O-N 3.23Å; V389-T392 PolarHBondContact O-OG1 3.04Å; T390-T392 VanDerWaalsContact C-N 3.32Å; T392-C394 PolarHBondContact O-N 3.18Å; T392-W395 VanDerWaalsContact OG1-CD1 3.24Å
393P97.8Very high95.6Very high5 Ų548 Ų483%0.03223%0.225CC..SBendtrans-67.9-34.9-172.5-19.832.5000113.8E239 V283 T286 K378E239-P393 VanDerWaalsContact CA-O 3.3Å; E239-P393 WeakPolarHBondContact CA-O 3.37Å; V283-P393 HydrophobicContact CB-CB 4.34Å; V283-P393 HydrophobicContact CG2-CB 3.85Å; T286-P393 HydrophobicContact CG2-CB 4.11Å; T286-P393 HydrophobicContact CG2-CG 4.43Å; K378-P393 HydrophobicContact CG-CG 4.08Å
394C98.5Very high95.9Very high0 Ų042.4 Ų42.40%020%0.2CC..SBendtrans-141.8120.1-177.2-59.90000109.3Y237 T286 R287 I290 S375 F376 T392Y237-C394 HydrophobicContact CE2-CB 4.08Å; Y237-C394 PolarHBondContact OH-SG 3.44Å; T286-C394 HydrophobicContact CG2-CB 3.99Å; R287-C394 WeakPolarHBondContact CG-SG 3.33Å; I290-C394 HydrophobicContact CD1-CB 4.24Å; S375-C394 PolarHBondContact OG-O 2.83Å; S375-C394 VanDerWaalsContact OG-O 3.12Å; F376-C394 HydrophobicContact CB-CB 4.44Å; F376-C394 HydrophobicContact CD2-CB 4.33Å; F376-C394 PolarHBondContact N-O 2.86Å; T392-C394 PolarHBondContact O-N 3.18Å
395W98.7Very high95.7Very high8 Ų842.6 Ų42.63%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-150.2162.7176.663.7-78.7000111.4Y237 Y238 L240 R373 M374 V389 T390 T392 E397Y237-W395 VanDerWaalsContact CD2-O 3.27Å; Y237-W395 WeakPolarHBondContact CD2-O 3.4Å; Y238-W395 HydrophobicContact CD1-CH2 4.16Å; Y238-W395 AromaticContact CD1-CZ2 3.82Å; Y238-W395 HydrophobicContact CD1-CZ2 3.82Å; Y238-W395 HydrophobicContact CD2-CD2 4.29Å; Y238-W395 HydrophobicContact CD2-CE3 4.12Å; Y238-W395 AromaticContact CD2-CH2 3.62Å; Y238-W395 HydrophobicContact CD2-CH2 3.62Å; Y238-W395 AromaticContact CD2-CZ2 3.81Å; Y238-W395 HydrophobicContact CD2-CZ2 3.81Å; Y238-W395 AromaticContact CD2-CZ3 3.8Å; Y238-W395 HydrophobicContact CD2-CZ3 3.8Å; Y238-W395 HydrophobicContact CE1-CH2 4.44Å; Y238-W395 HydrophobicContact CE1-CZ2 4.48Å; Y238-W395 AromaticContact CE2-CH2 3.91Å; Y238-W395 HydrophobicContact CE2-CH2 3.91Å; Y238-W395 HydrophobicContact CE2-CZ2 4.46Å; Y238-W395 HydrophobicContact CE2-CZ3 4.14Å; Y238-W395 HydrophobicContact CG-CD2 4.3Å; Y238-W395 AromaticContact CG-CE2 3.76Å; Y238-W395 AromaticContact CG-CH2 3.76Å; Y238-W395 HydrophobicContact CG-CH2 3.76Å; Y238-W395 AromaticContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ2 3.46Å; Y238-W395 VanDerWaalsContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ3 4.31Å; Y238-W395 PolarHBondContact N-O 3.16Å; Y238-W395 PolarHBondContact O-N 3.15Å; L240-W395 PolarHBondContact O-NE1 3.43Å; R373-W395 HydrophobicContact CG-CZ3 4.16Å; M374-W395 CarbonylContact O-C 3.49Å; M374-W395 WeakPolarHBondContact O-CA 3.47Å; M374-W395 WeakPolarHBondContact O-CB 3.41Å; V389-W395 HydrophobicContact CG1-CD2 4.29Å; V389-W395 HydrophobicContact CG1-CE3 4.24Å; V389-W395 HydrophobicContact CG1-CH2 4.05Å; V389-W395 HydrophobicContact CG1-CZ2 4.07Å; V389-W395 HydrophobicContact CG1-CZ3 4.11Å; V389-W395 HydrophobicContact CG2-CB 4.03Å; V389-W395 HydrophobicContact CG2-CD2 3.54Å; V389-W395 HydrophobicContact CG2-CE3 3.64Å; V389-W395 HydrophobicContact CG2-CG 3.72Å; V389-W395 HydrophobicContact CG2-CZ3 4.32Å; T390-W395 HydrophobicContact CG2-CZ2 4.19Å; T392-W395 VanDerWaalsContact OG1-CD1 3.24Å; W395-E397 HydrophobicContact CZ3-CB 3.94Å
396I98.7Very high95.5Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-125.7150.9176.955.5175.5000110.3I235 S236 Y237 V257 V294 R373 M374 F376 L398I235-I396 HydrophobicContact CG2-CB 3.83Å; I235-I396 HydrophobicContact CG2-CD1 4.05Å; I235-I396 HydrophobicContact CG2-CG1 4.44Å; I235-I396 HydrophobicContact CG2-CG2 4.07Å; S236-I396 CarbonylContact O-C 3.59Å; S236-I396 VanDerWaalsContact O-CA 3.24Å; S236-I396 WeakPolarHBondContact O-CA 3.39Å; Y237-I396 HydrophobicContact CD2-CG2 3.88Å; V257-I396 HydrophobicContact CB-CD1 4.4Å; V257-I396 HydrophobicContact CG1-CD1 4.29Å; V257-I396 HydrophobicContact CG1-CG2 4.4Å; V257-I396 HydrophobicContact CG2-CD1 4.11Å; V294-I396 HydrophobicContact CG1-CD1 4.35Å; R373-I396 WeakPolarHBondContact CA-O 3.14Å; M374-I396 HydrophobicContact CB-CD1 4.34Å; M374-I396 HydrophobicContact CB-CG1 3.83Å; M374-I396 PolarHBondContact N-O 3.38Å; M374-I396 PolarHBondContact O-N 2.88Å; F376-I396 HydrophobicContact CE2-CD1 4.37Å; F376-I396 HydrophobicContact CE2-CG1 4.22Å; F376-I396 HydrophobicContact CE2-CG2 4Å; F376-I396 HydrophobicContact CZ-CD1 4.09Å; F376-I396 HydrophobicContact CZ-CG1 4.42Å; I396-L398 HydrophobicContact CB-CD1 4.34Å; I396-L398 HydrophobicContact CD1-CD1 3.58Å; I396-L398 HydrophobicContact CG1-CD1 3.71Å
397E98.6Very high95.2Very high20 Ų2027.3 Ų27.39%0.09315%0.146CC..EExtended strand (participates in β ladder)trans-114.7121.6171.1-167164.160.800108.4I235 S236 Y238 T371 R373 W395 H399I235-E397 CarbonylContact C-O 3.5Å; I235-E397 WeakPolarHBondContact CA-O 3.3Å; S236-E397 PolarHBondContact N-O 3.46Å; S236-E397 PolarHBondContact O-N 3.21Å; Y238-E397 HydrophobicContact CD2-CB 4.45Å; Y238-E397 HydrophobicContact CE2-CB 3.87Å; T371-E397 HydrophobicContact CG2-CG 3.52Å; R373-E397 HydrophobicContact CG-CG 4.22Å; R373-E397 IonicContact CZ-OE2 3.33Å; R373-E397 IonicContact NE-OE2 2.87Å; R373-E397 PolarHBondContact NE-OE2 3.35Å; R373-E397 IonicContact NH2-OE2 2.92Å; R373-E397 PolarHBondContact NH2-OE2 3.37Å; W395-E397 HydrophobicContact CZ3-CB 3.94Å; E397-H399 IonicContact OE1-NE2 3.84Å
398L98.1Very high94.9Very high0 Ų026.2 Ų26.20%015%0.145CC..EExtended strand (participates in β ladder)trans-101.8130.6176.8-71.465.9000108.4S234 I235 L296 I342 T371 I372 M374 I396S234-L398 CarbonylContact O-C 3.38Å; S234-L398 WeakPolarHBondContact O-CA 3.48Å; I235-L398 HydrophobicContact CD1-CG 4.41Å; I235-L398 HydrophobicContact CG1-CG 4.2Å; I235-L398 HydrophobicContact CG2-CD1 4.31Å; L296-L398 HydrophobicContact CD1-CD2 3.51Å; L296-L398 HydrophobicContact CD1-CG 4.17Å; L296-L398 HydrophobicContact CD2-CD2 3.97Å; L296-L398 HydrophobicContact CG-CD2 4.37Å; I342-L398 HydrophobicContact CD1-CD2 4.45Å; T371-L398 CarbonylContact C-O 3.6Å; T371-L398 WeakPolarHBondContact CA-O 3.3Å; I372-L398 HydrophobicContact CB-CB 4.28Å; I372-L398 PolarHBondContact N-O 3.36Å; I372-L398 PolarHBondContact O-N 3.3Å; M374-L398 HydrophobicContact CG-CD1 4.35Å; M374-L398 HydrophobicContact SD-CD1 4.28Å; M374-L398 HydrophobicContact SD-CD2 4.46Å; I396-L398 HydrophobicContact CB-CD1 4.34Å; I396-L398 HydrophobicContact CD1-CD1 3.58Å; I396-L398 HydrophobicContact CG1-CD1 3.71Å
399H97.4Very high94.5Very high57 Ų5726.1 Ų26.126%0.26414%0.138SC..EExtended strand (participates in β ladder)trans-110.2124.9168.7-70167.9000109.6C233 S234 T371 E397 N401 L404C233-H399 CarbonylContact C-O 3.57Å; C233-H399 WeakPolarHBondContact CA-O 3.42Å; C233-H399 VanDerWaalsContact CB-O 3.22Å; C233-H399 WeakPolarHBondContact CB-O 3.21Å; S234-H399 PolarHBondContact N-O 3.25Å; S234-H399 PolarHBondContact O-N 2.92Å; S234-H399 WeakPolarHBondContact OG-CB 3.47Å; T371-H399 PolarHBondContact OG1-CD2 3.33Å; T371-H399 PolarHBondContact OG1-NE2 3.37Å; E397-H399 IonicContact OE1-NE2 3.84Å; H399-N401 PolarHBondContact O-N 3.39Å; H399-L404 HydrophobicContact CB-CD1 3.88Å
400L96.1Very high94Very high3 Ų325.6 Ų25.62%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-87.8104.4177.7-59.1180000109.6W232 C233 V303 F343 C370 I372 G402 P403 L404W232-L400 HydrophobicContact CE3-CD2 4.23Å; W232-L400 HydrophobicContact CZ3-CD2 4.01Å; C233-L400 HydrophobicContact CB-CD2 4.09Å; V303-L400 HydrophobicContact CG2-CD1 4.43Å; V303-L400 HydrophobicContact CG2-CD2 4.06Å; F343-L400 HydrophobicContact CB-CD1 3.78Å; F343-L400 HydrophobicContact CD1-CD1 3.51Å; F343-L400 HydrophobicContact CD2-CD1 3.31Å; F343-L400 HydrophobicContact CE1-CD1 3.83Å; F343-L400 HydrophobicContact CE2-CD1 3.64Å; F343-L400 HydrophobicContact CG-CD1 3.23Å; F343-L400 HydrophobicContact CZ-CD1 3.88Å; C370-L400 PolarHBondContact O-N 3.09Å; I372-L400 HydrophobicContact CD1-CD1 4.1Å; L400-G402 PolarHBondContact O-N 3.09Å; L400-P403 HydrophobicContact CB-CB 4.36Å; L400-P403 HydrophobicContact CB-CG 3.86Å; L400-P403 HydrophobicContact CD1-CG 4.46Å; L400-P403 WeakPolarHBondContact O-CD 3.33Å; L400-L404 WeakPolarHBondContact O-CB 3.45Å; L400-L404 VanDerWaalsContact O-CG 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 3.04Å
401N93.4Very high93.5Very high31 Ų3124 Ų2417%0.16612%0.124CC..Hα-helixtrans-69.1-35.3-168.7-63.5-21.8000112.5F231 W232 S234 H399 L404 Q405F231-N401 VanDerWaalsContact O-CB 3.26Å; F231-N401 WeakPolarHBondContact O-CB 3.39Å; F231-N401 PolarHBondContact O-ND2 3.11Å; W232-N401 PolarHBondContact O-N 2.8Å; S234-N401 PolarHBondContact OG-OD1 3.18Å; H399-N401 PolarHBondContact O-N 3.39Å; N401-L404 PolarHBondContact O-N 3.37Å; N401-Q405 VanDerWaalsContact O-CB 3.27Å; N401-Q405 WeakPolarHBondContact O-CB 3.49Å; N401-Q405 PolarHBondContact O-N 3.39Å
402G89.9Confident92.9Very high3 Ų326.5 Ų26.53%0.03114%0.137CC..Hα-helixtrans-60.6-59176.100000112.2L400 L404 Q405 W406L400-G402 PolarHBondContact O-N 3.09Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.93Å; G402-Q405 PolarHBondContact O-N 3.39Å; G402-W406 PolarHBondContact O-N 3.21Å
403P92.1Very high92.2Very high5 Ų530 Ų303%0.03215%0.154CC..Hα-helixtrans-53.7-42.5173.2-3137.5000114.1F343 F348 C370 L400 W406 L407F343-P403 HydrophobicContact CE1-CB 4.35Å; F343-P403 HydrophobicContact CE1-CG 3.57Å; F343-P403 HydrophobicContact CZ-CB 4.02Å; F343-P403 HydrophobicContact CZ-CG 3.73Å; F348-P403 HydrophobicContact CD1-CB 3.97Å; F348-P403 HydrophobicContact CE1-CB 3.74Å; F348-P403 HydrophobicContact CZ-CB 4.11Å; C370-P403 HydrophobicContact CB-CB 4.37Å; C370-P403 VanDerWaalsContact SG-CB 3.58Å; L400-P403 HydrophobicContact CB-CB 4.36Å; L400-P403 HydrophobicContact CB-CG 3.86Å; L400-P403 HydrophobicContact CD1-CG 4.46Å; L400-P403 WeakPolarHBondContact O-CD 3.33Å; P403-W406 PolarHBondContact O-N 2.76Å; P403-L407 WeakPolarHBondContact O-CB 3.12Å; P403-L407 PolarHBondContact O-N 3.19Å
404L92.8Very high91.3Very high52 Ų5231.2 Ų31.227%0.27216%0.159SC..Hα-helixtrans-61.8-45.4176-76.7170.7000112.5C370 H399 L400 N401 G402 W406 L407 D408C370-L404 HydrophobicContact CB-CD1 4.44Å; C370-L404 HydrophobicContact CB-CD2 3.51Å; C370-L404 HydrophobicContact CB-CG 3.57Å; H399-L404 HydrophobicContact CB-CD1 3.88Å; L400-L404 WeakPolarHBondContact O-CB 3.45Å; L400-L404 VanDerWaalsContact O-CG 3.32Å; L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 3.04Å; N401-L404 PolarHBondContact O-N 3.37Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.93Å; L404-W406 VanDerWaalsContact C-N 3.28Å; L404-W406 PolarHBondContact O-N 3.32Å; L404-L407 WeakPolarHBondContact O-CB 3.29Å; L404-L407 PolarHBondContact O-N 2.96Å; L404-D408 WeakPolarHBondContact O-CB 3.48Å; L404-D408 PolarHBondContact O-N 3.4Å
405Q88.5Confident90.3Very high77 Ų7733.5 Ų33.536%0.3618%0.183SC..Hα-helixtrans-64.5-36.3178.8-173.8179.616.100111.6N401 G402 K409N401-Q405 VanDerWaalsContact O-CB 3.27Å; N401-Q405 WeakPolarHBondContact O-CB 3.49Å; N401-Q405 PolarHBondContact O-N 3.39Å; G402-Q405 PolarHBondContact O-N 3.39Å; Q405-K409 WeakPolarHBondContact O-CG 3.45Å; Q405-K409 PolarHBondContact O-N 3.43Å
406W88.2Confident89.2Confident3 Ų337.4 Ų37.41%0.01121%0.212CC..Hα-helixtrans-66.5-43.7175.3-162.63.5000111.6L134 P135 V137 V224 Y226 F348 A349 L352 G402 P403 L404 K409 V410L134-W406 HydrophobicContact CB-CH2 3.71Å; L134-W406 HydrophobicContact CB-CZ3 4.11Å; L134-W406 HydrophobicContact CD1-CE3 4.41Å; L134-W406 HydrophobicContact CD1-CH2 4.1Å; L134-W406 HydrophobicContact CD1-CZ3 3.59Å; L134-W406 HydrophobicContact CG-CH2 4.46Å; L134-W406 HydrophobicContact CG-CZ3 4.39Å; P135-W406 WeakPolarHBondContact O-CZ2 3.48Å; V137-W406 HydrophobicContact CB-CZ2 4.44Å; V137-W406 HydrophobicContact CG2-CH2 4.29Å; V137-W406 HydrophobicContact CG2-CZ2 3.53Å; V224-W406 PolarHBondContact O-NE1 3.39Å; Y226-W406 HydrophobicContact CD2-CB 3.99Å; Y226-W406 AromaticContact CD2-CD2 3.74Å; Y226-W406 HydrophobicContact CD2-CD2 3.74Å; Y226-W406 AromaticContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CG 4.04Å; Y226-W406 HydrophobicContact CD2-CZ3 4.03Å; Y226-W406 HydrophobicContact CE2-CE3 4.19Å; Y226-W406 HydrophobicContact CG-CD2 4.36Å; Y226-W406 HydrophobicContact CG-CE3 4.11Å; Y226-W406 HydrophobicContact CG-CZ3 4.39Å; F348-W406 HydrophobicContact CD1-CE3 4.44Å; F348-W406 HydrophobicContact CE1-CE3 4.49Å; A349-W406 HydrophobicContact CB-CH2 3.4Å; A349-W406 HydrophobicContact CB-CZ3 3.46Å; A349-W406 VanDerWaalsContact CB-CZ3 3.46Å; L352-W406 HydrophobicContact CD2-CD2 3.99Å; L352-W406 HydrophobicContact CD2-CE3 4.39Å; L352-W406 HydrophobicContact CD2-CG 4.06Å; G402-W406 PolarHBondContact O-N 3.21Å; P403-W406 PolarHBondContact O-N 2.76Å; L404-W406 VanDerWaalsContact C-N 3.28Å; L404-W406 PolarHBondContact O-N 3.32Å; W406-K409 PolarHBondContact O-N 3.39Å; W406-V410 WeakPolarHBondContact O-CG2 3.47Å; W406-V410 PolarHBondContact O-N 2.93Å; W406-V410 VanDerWaalsContact O-N 3.16Å
407L90.9Very high88.1Confident2 Ų240.2 Ų40.21%0.0123%0.23CC..Hα-helixtrans-61-44.8176.6-173.266.6000112.1L352 V363 L366 T367 P403 L404 K409 V410 L411L352-L407 HydrophobicContact CD1-CD1 3.61Å; V363-L407 HydrophobicContact CG1-CD1 3.45Å; V363-L407 VanDerWaalsContact CG1-CD1 3.45Å; V363-L407 WeakPolarHBondContact O-CD1 3.47Å; L366-L407 HydrophobicContact CB-CD1 3.96Å; L366-L407 HydrophobicContact CB-CD2 4.26Å; L366-L407 HydrophobicContact CD1-CD1 4.4Å; T367-L407 HydrophobicContact CG2-CD2 3.53Å; T367-L407 VanDerWaalsContact N-CD2 3.32Å; P403-L407 WeakPolarHBondContact O-CB 3.12Å; P403-L407 PolarHBondContact O-N 3.19Å; L404-L407 WeakPolarHBondContact O-CB 3.29Å; L404-L407 PolarHBondContact O-N 2.96Å; L407-K409 VanDerWaalsContact C-N 3.35Å; L407-K409 PolarHBondContact O-N 2.92Å; L407-V410 PolarHBondContact O-N 2.7Å; L407-V410 VanDerWaalsContact O-N 3.15Å; L407-L411 HydrophobicContact CD2-CD1 4.48Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 HydrophobicContact CG-CG 4.44Å; L407-L411 WeakPolarHBondContact O-CG 3.4Å; L407-L411 PolarHBondContact O-N 2.96Å
408D87.9Confident86.8Confident98 Ų9844.9 Ų44.952%0.52427%0.265SS..Hα-helixtrans-58.2-44.6177.9-179.168.3000112.1L404 V410 L411 T412L404-D408 WeakPolarHBondContact O-CB 3.48Å; L404-D408 PolarHBondContact O-N 3.4Å; D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 PolarHBondContact O-N 2.92Å; D408-L411 PolarHBondContact O-N 3.24Å; D408-T412 WeakPolarHBondContact O-CB 3.35Å; D408-T412 PolarHBondContact O-N 3.23Å; D408-T412 PolarHBondContact O-OG1 2.89Å
409K86.6Confident85.6Confident63 Ų6351.7 Ų51.727%0.27430%0.3SS..Hα-helixtrans-62.1-39.6175.1-71.6178.2-179.8-178.40112.7V224 C227 Q405 W406 L407 Q413V224-K409 HydrophobicContact CG1-CB 3.52Å; V224-K409 HydrophobicContact CG1-CD 4.04Å; V224-K409 HydrophobicContact CG1-CG 4.46Å; C227-K409 PolarHBondContact SG-NZ 2.93Å; Q405-K409 WeakPolarHBondContact O-CG 3.45Å; Q405-K409 PolarHBondContact O-N 3.43Å; W406-K409 PolarHBondContact O-N 3.39Å; L407-K409 VanDerWaalsContact C-N 3.35Å; L407-K409 PolarHBondContact O-N 2.92Å; K409-Q413 WeakPolarHBondContact O-CG 3.4Å
410V87.2Confident84.6Confident0 Ų056.8 Ų56.80%032%0.323CS..Hα-helixtrans-68.1-48.2177.4171.90000110.5V137 V139 V224 L352 V356 V363 W406 L407 D408 T412 Q413 M414V137-V410 HydrophobicContact CB-CG2 4.22Å; V137-V410 HydrophobicContact CG1-CG2 3.93Å; V139-V410 HydrophobicContact CG2-CB 4.5Å; V139-V410 HydrophobicContact CG2-CG1 3.97Å; V139-V410 HydrophobicContact CG2-CG2 4.38Å; V224-V410 HydrophobicContact CB-CG2 4.18Å; V224-V410 HydrophobicContact CG1-CG2 4.12Å; V224-V410 HydrophobicContact CG2-CG2 4.3Å; L352-V410 HydrophobicContact CD1-CB 4.48Å; L352-V410 HydrophobicContact CD1-CG1 4.26Å; L352-V410 HydrophobicContact CD1-CG2 4.46Å; L352-V410 HydrophobicContact CD2-CG2 4.14Å; L352-V410 HydrophobicContact CG-CG2 4.47Å; V356-V410 HydrophobicContact CG2-CG1 3.61Å; V363-V410 HydrophobicContact CG1-CG1 4.03Å; W406-V410 WeakPolarHBondContact O-CG2 3.47Å; W406-V410 PolarHBondContact O-N 2.93Å; W406-V410 VanDerWaalsContact O-N 3.16Å; L407-V410 PolarHBondContact O-N 2.7Å; L407-V410 VanDerWaalsContact O-N 3.15Å; D408-V410 VanDerWaalsContact C-N 3.34Å; D408-V410 PolarHBondContact O-N 2.92Å; V410-T412 VanDerWaalsContact C-N 3.31Å; V410-T412 PolarHBondContact O-N 3.45Å; V410-Q413 PolarHBondContact O-N 3.09Å; V410-M414 HydrophobicContact CG1-CG 4.41Å; V410-M414 HydrophobicContact CG1-SD 4.09Å; V410-M414 WeakPolarHBondContact O-CG 3.08Å; V410-M414 PolarHBondContact O-N 3.32Å
411L87.3Confident83.6Confident24 Ų2462.9 Ų62.913%0.12637%0.365CS..Hα-helixtrans-59.7-40.7179-76.1170.9000112.2F360 V363 Y364 L407 D408 Q413 M414F360-L411 HydrophobicContact CD2-CD2 4.09Å; F360-L411 HydrophobicContact CE2-CD2 3.8Å; F360-L411 HydrophobicContact CZ-CD2 4.08Å; V363-L411 HydrophobicContact CB-CD2 3.97Å; V363-L411 HydrophobicContact CG1-CD2 3.6Å; V363-L411 HydrophobicContact CG1-CG 3.86Å; Y364-L411 HydrophobicContact CD2-CD1 4.27Å; L407-L411 HydrophobicContact CD2-CD1 4.48Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 HydrophobicContact CG-CG 4.44Å; L407-L411 WeakPolarHBondContact O-CG 3.4Å; L407-L411 PolarHBondContact O-N 2.96Å; D408-L411 PolarHBondContact O-N 3.24Å; L411-Q413 PolarHBondContact O-N 3.46Å; L411-M414 PolarHBondContact O-N 3.24Å; L411-M414 VanDerWaalsContact O-N 3.11Å
412T85.2Confident82.8Confident105 Ų10564.3 Ų64.364%0.64438%0.377SS*.Hα-helixtrans-59-29.2177-57.80000112.2D408 V410D408-T412 WeakPolarHBondContact O-CB 3.35Å; D408-T412 PolarHBondContact O-N 3.23Å; D408-T412 PolarHBondContact O-OG1 2.89Å; V410-T412 VanDerWaalsContact C-N 3.31Å; V410-T412 PolarHBondContact O-N 3.45Å
413Q83.1Confident82.3Confident75 Ų7570.1 Ų70.135%0.3542%0.417SS..Hα-helixtrans-88.8-18.3179.2-66.7-176.87.200113.9V139 V224 K409 V410 L411V139-Q413 HydrophobicContact CB-CB 4.35Å; V139-Q413 HydrophobicContact CG1-CB 4Å; V139-Q413 HydrophobicContact CG2-CB 4.45Å; V224-Q413 VanDerWaalsContact CG2-CD 3.47Å; K409-Q413 WeakPolarHBondContact O-CG 3.4Å; V410-Q413 PolarHBondContact O-N 3.09Å; L411-Q413 PolarHBondContact O-N 3.46Å
414M79.1Confident81.3Confident29 Ų2976.2 Ų76.214%0.14345%0.454CS..Hα-helixtrans-84.4-6.4-176.6-72.8-169.276.400114.7V139 V356 F360 V363 V410 L411V139-M414 HydrophobicContact CG1-CG 3.63Å; V356-M414 HydrophobicContact CG1-CE 4.43Å; V356-M414 HydrophobicContact CG1-SD 4.41Å; V356-M414 HydrophobicContact CG2-SD 4.29Å; V356-M414 WeakPolarHBondContact O-CE 3.36Å; F360-M414 HydrophobicContact CD2-CB 4.23Å; V363-M414 HydrophobicContact CB-SD 4.07Å; V363-M414 HydrophobicContact CG1-SD 4.33Å; V363-M414 HydrophobicContact CG2-CE 4.22Å; V363-M414 HydrophobicContact CG2-SD 3.59Å; V363-M414 VanDerWaalsContact CG2-SD 3.59Å; V410-M414 HydrophobicContact CG1-CG 4.41Å; V410-M414 HydrophobicContact CG1-SD 4.09Å; V410-M414 WeakPolarHBondContact O-CG 3.08Å; V410-M414 PolarHBondContact O-N 3.32Å; L411-M414 PolarHBondContact O-N 3.24Å; L411-M414 VanDerWaalsContact O-N 3.11Å
415G76.2Confident79.5Confident49 Ų4981 Ų8151%0.50549%0.492SS..  trans80.8-154.5-178.900000113.3F360F360-G415 VanDerWaalsContact CD2-O 3.29Å; F360-G415 WeakPolarHBondContact CD2-O 3.24Å; F360-G415 WeakPolarHBondContact CE2-O 3.2Å
416S74.9Confident79.1Confident89 Ų8981.2 Ų81.262%0.62250%0.498SS*.  trans-100160-177.357.60000112.9
417P76.3Confident78.6Confident59 Ų5985.3 Ų85.338%0.38352%0.524SS..  trans-52.5149169.1-21.830000112.1F360 I419F360-P417 HydrophobicContact CD1-CB 4.37Å; F360-P417 HydrophobicContact CD1-CG 3.79Å; F360-P417 HydrophobicContact CE1-CG 3.63Å; F360-P417 HydrophobicContact CZ-CG 4.31Å; P417-I419 VanDerWaalsContact C-N 3.26Å; P417-I419 PolarHBondContact O-N 2.86Å
418S71Confident77.9Confident118 Ų11889.9 Ų89.983%0.82555%0.552SS**SBendtrans-68.9-24.2176.651.40000113.4
419I74.3Confident77.3Confident143 Ų14389.4 Ų89.473%0.73355%0.554SS**SBendtrans-97.9117.1178.7-56.3173.9000108.6P417P417-I419 VanDerWaalsContact C-N 3.26Å; P417-I419 PolarHBondContact O-N 2.86Å
420H75.3Confident76.7Confident165 Ų16591.1 Ų91.176%0.76457%0.572SS**PPolyproline II helixtrans-72.5131.9173.4-65.2-62.8000110.6
421C75.3Confident76Confident130 Ų13097.1 Ų97.188%0.87861%0.61SS**PPolyproline II helixtrans-79.8126.7174.9-155.10000109.4
422S77Confident75.2Confident62 Ų62102.4 Ų102.443%0.43464%0.644SS.*PPolyproline II helixtrans-76.9131.9176.8150.40000110.3V424 S425S422-V424 PolarHBondContact O-N 3.06Å; S422-V424 WeakPolarHBondContact OG-CG2 3.18Å; S422-V424 PolarHBondContact OG-N 3.31Å; S422-S425 WeakPolarHBondContact CB-OG 3.37Å; S422-S425 PolarHBondContact O-OG 3.06Å; S422-S425 PolarHBondContact OG-OG 3.34Å
423S78.9Confident74.5Confident125 Ų125102.2 Ų102.287%0.87464%0.644SS**THydrogen-bonded Turntrans-73.9-2179.755.10000114.6
424V71.4Confident73.7Confident132 Ų132104.4 Ų104.480%0.867%0.669SS**THydrogen-bonded Turntrans-118.19.1-176.2-75.10000113.3S422S422-V424 PolarHBondContact O-N 3.06Å; S422-V424 WeakPolarHBondContact OG-CG2 3.18Å; S422-V424 PolarHBondContact OG-N 3.31Å
425S55.1Low73.2Confident152 Ų152111.3 Ų111.3100%1.06372%0.717SS**  trans-850-176.1-27.70000113.4S422S422-S425 WeakPolarHBondContact CB-OG 3.37Å; S422-S425 PolarHBondContact O-OG 3.06Å; S422-S425 PolarHBondContact OG-OG 3.34Å

Retrieved 425 of 425 residues in 371.6 ms (Link to these results)

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