A0A3Q0KEQ5_SCHMA Loading...

Cell polarity protein

AlphaFold DB , UniProt , Accession A0A3Q0KEQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 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
1M57Low77Confident150 Ų15087.6 Ų87.674%0.73944%0.441SS*.  078.90-62.9-167.7174.600110.3K5 E53M1-K5 VanDerWaalsContact O-CD 3.29Å; M1-K5 WeakPolarHBondContact O-CD 3.49Å; M1-K5 VanDerWaalsContact O-CG 3.3Å; M1-K5 WeakPolarHBondContact O-CG 3.5Å; M1-E53 WeakPolarHBondContact CE-OE1 3.38Å; M1-E53 WeakPolarHBondContact CG-OE1 3.34Å
2P63.4Low78Confident65 Ų6591.3 Ų91.342%0.42246%0.455SS..  trans-75.3-46175.518.5-11.4000111.8R4 K5 D6P2-R4 PolarHBondContact O-N 3.16Å; P2-K5 WeakPolarHBondContact O-CB 3.39Å; P2-K5 PolarHBondContact O-N 3.08Å; P2-D6 PolarHBondContact O-N 3.08Å; P2-D6 VanDerWaalsContact O-N 3.15Å
3V66.5Low78.9Confident47 Ų4791.4 Ų91.429%0.28546%0.457SS..Hα-helixtrans-65.8-46.7-168.3-172.50000114.2K5 D6 C7 M49V3-K5 VanDerWaalsContact C-N 3.25Å; V3-K5 PolarHBondContact O-N 3.49Å; V3-D6 WeakPolarHBondContact O-CB 3.13Å; V3-D6 PolarHBondContact O-N 3.23Å; V3-D6 VanDerWaalsContact O-N 3.1Å; V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å; V3-M49 HydrophobicContact CG1-SD 3.63Å
4R71.8Confident79.7Confident117 Ų11786.7 Ų86.744%0.44243%0.434SS..Hα-helixtrans-63.5-31.9176.6-70.3-163.3-161.1-150.21.5113.2P2 D6 C7 S8 D50 E53P2-R4 PolarHBondContact O-N 3.16Å; R4-D6 VanDerWaalsContact C-N 3.28Å; R4-C7 PolarHBondContact O-N 2.76Å; R4-S8 PolarHBondContact O-N 2.77Å; R4-S8 VanDerWaalsContact O-N 3.11Å; R4-S8 PolarHBondContact O-OG 2.85Å; R4-S8 VanDerWaalsContact O-OG 3.04Å; R4-D50 IonicContact CZ-OD1 2.88Å; R4-D50 VanDerWaalsContact CZ-OD1 3.28Å; R4-D50 IonicContact NH1-OD1 2.58Å; R4-D50 IonicContact NH2-OD1 3.1Å; R4-D50 PolarHBondContact NH2-OD1 3.12Å; R4-E53 IonicContact CZ-OE2 3.76Å; R4-E53 IonicContact NE-OE1 3.28Å; R4-E53 IonicContact NE-OE2 3.03Å; R4-E53 PolarHBondContact NE-OE2 3.19Å; R4-E53 IonicContact NH2-OE2 3.59Å; R4-E53 PolarHBondContact NH2-OE2 3.39Å
5K75.3Confident80.4Confident149 Ų14984.3 Ų84.365%0.64843%0.425SS*.Hα-helixtrans-66.8-36.5176.2-68.6-177.9-178.2-175.70110.3M1 P2 V3 S8 R9M1-K5 VanDerWaalsContact O-CD 3.29Å; M1-K5 WeakPolarHBondContact O-CD 3.49Å; M1-K5 VanDerWaalsContact O-CG 3.3Å; M1-K5 WeakPolarHBondContact O-CG 3.5Å; P2-K5 WeakPolarHBondContact O-CB 3.39Å; P2-K5 PolarHBondContact O-N 3.08Å; V3-K5 VanDerWaalsContact C-N 3.25Å; V3-K5 PolarHBondContact O-N 3.49Å; K5-S8 PolarHBondContact O-N 2.97Å; K5-R9 VanDerWaalsContact O-CB 3.28Å; K5-R9 WeakPolarHBondContact O-CB 3.5Å; K5-R9 PolarHBondContact O-N 2.85Å
6D80.8Confident80.9Confident94 Ų9486.8 Ų86.850%0.50343%0.432SS..Hα-helixtrans-67.8-41177.3-66.2-28.9000112.1P2 V3 R4 R9 A10P2-D6 PolarHBondContact O-N 3.08Å; P2-D6 VanDerWaalsContact O-N 3.15Å; V3-D6 WeakPolarHBondContact O-CB 3.13Å; V3-D6 PolarHBondContact O-N 3.23Å; V3-D6 VanDerWaalsContact O-N 3.1Å; R4-D6 VanDerWaalsContact C-N 3.28Å; D6-R9 PolarHBondContact O-N 3.15Å; D6-A10 WeakPolarHBondContact O-CB 3.34Å; D6-A10 PolarHBondContact O-N 3.12Å
7C84.2Confident81.3Confident21 Ų2187.9 Ų87.914%0.14243%0.432CS..Hα-helixtrans-60.5-48.6173.2178.30000111.8V3 R4 R9 A10 L11 F45V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å; R4-C7 PolarHBondContact O-N 2.76Å; C7-R9 VanDerWaalsContact C-N 3.27Å; C7-R9 PolarHBondContact O-N 3.15Å; C7-A10 WeakPolarHBondContact O-CB 3.38Å; C7-A10 PolarHBondContact O-N 2.88Å; C7-A10 VanDerWaalsContact O-N 3.12Å; C7-L11 PolarHBondContact O-N 3.37Å; C7-F45 HydrophobicContact CB-CE1 4.16Å; C7-F45 VanDerWaalsContact SG-CE1 3.55Å
8S83.6Confident81.7Confident80 Ų8086.2 Ų86.256%0.55942%0.421SS*.Hα-helixtrans-60.8-38.9178.7-58.10000111.8R4 K5 H12R4-S8 PolarHBondContact O-N 2.77Å; R4-S8 VanDerWaalsContact O-N 3.11Å; R4-S8 PolarHBondContact O-OG 2.85Å; R4-S8 VanDerWaalsContact O-OG 3.04Å; K5-S8 PolarHBondContact O-N 2.97Å; S8-H12 PolarHBondContact O-N 2.66Å; S8-H12 VanDerWaalsContact O-N 3.09Å
9R86.1Confident82Confident173 Ų17392.6 Ų92.665%0.65344%0.441SS*.Hα-helixtrans-65.8-43.6174.9-175.2-179.8-178.9-175.70.3111.4K5 D6 C7 H12 I13K5-R9 VanDerWaalsContact O-CB 3.28Å; K5-R9 WeakPolarHBondContact O-CB 3.5Å; K5-R9 PolarHBondContact O-N 2.85Å; D6-R9 PolarHBondContact O-N 3.15Å; C7-R9 VanDerWaalsContact C-N 3.27Å; C7-R9 PolarHBondContact O-N 3.15Å; R9-H12 PolarHBondContact O-N 3.21Å; R9-I13 HydrophobicContact CG-CD1 3.92Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.41Å; R9-I13 PolarHBondContact O-N 3.25Å
10A88.8Confident82.3Confident35 Ų3594.8 Ų94.829%0.28945%0.45SS..Hα-helixtrans-60.9-48177.100000111.2D6 C7 H12 I13 L14 L40D6-A10 WeakPolarHBondContact O-CB 3.34Å; D6-A10 PolarHBondContact O-N 3.12Å; C7-A10 WeakPolarHBondContact O-CB 3.38Å; C7-A10 PolarHBondContact O-N 2.88Å; C7-A10 VanDerWaalsContact O-N 3.12Å; A10-H12 VanDerWaalsContact C-N 3.32Å; A10-H12 PolarHBondContact O-N 3.45Å; A10-I13 PolarHBondContact O-N 3.05Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 VanDerWaalsContact O-CG 3.27Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.26Å; A10-L40 HydrophobicContact CB-CD1 4.12Å
11L90.1Very high82.4Confident33 Ų3391.1 Ų91.117%0.17343%0.433CS..Hα-helixtrans-57.1-44.2175.5-81.8171.4000112.3C7 L14 T15 I37 L40 E41C7-L11 PolarHBondContact O-N 3.37Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-T15 VanDerWaalsContact O-CB 3.3Å; L11-T15 WeakPolarHBondContact O-CB 3.4Å; L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.74Å; L11-I37 HydrophobicContact CD2-CB 4.47Å; L11-I37 HydrophobicContact CD2-CG2 4.05Å; L11-L40 HydrophobicContact CD1-CB 4.37Å; L11-L40 HydrophobicContact CD2-CB 3.64Å; L11-L40 HydrophobicContact CD2-CD1 4.09Å; L11-L40 HydrophobicContact CG-CB 3.92Å; L11-L40 HydrophobicContact CG-CD1 4.14Å; L11-E41 HydrophobicContact CD1-CG 4.17Å; L11-E41 HydrophobicContact CD2-CG 3.82Å
12H88.5Confident83.7Confident132 Ų13288 Ų8861%0.61142%0.42SS*.Hα-helixtrans-62.1-44.9176.9-175.780.6000112.1S8 R9 A10 K16S8-H12 PolarHBondContact O-N 2.66Å; S8-H12 VanDerWaalsContact O-N 3.09Å; R9-H12 PolarHBondContact O-N 3.21Å; A10-H12 VanDerWaalsContact C-N 3.32Å; A10-H12 PolarHBondContact O-N 3.45Å; H12-K16 WeakPolarHBondContact O-CB 3.26Å; H12-K16 PolarHBondContact O-N 2.96Å
13I89.3Confident84.6Confident92 Ų9291.5 Ų91.547%0.47243%0.43SS..Hα-helixtrans-63.3-47.8178.8-69.3167000110.5R9 A10 T15 K16 Y17R9-I13 HydrophobicContact CG-CD1 3.92Å; R9-I13 VanDerWaalsContact O-CG1 3.27Å; R9-I13 WeakPolarHBondContact O-CG1 3.41Å; R9-I13 PolarHBondContact O-N 3.25Å; A10-I13 PolarHBondContact O-N 3.05Å; I13-T15 PolarHBondContact O-N 3.47Å; I13-K16 PolarHBondContact O-N 2.8Å; I13-Y17 VanDerWaalsContact O-CB 3.32Å; I13-Y17 WeakPolarHBondContact O-CB 3.32Å; I13-Y17 PolarHBondContact O-N 3.03Å
14L91.1Very high85.1Confident26 Ų2698.3 Ų98.314%0.13646%0.456CS..Hα-helixtrans-63.8-42.3-179.5-69.1169.4000111.8A10 L11 K16 Y17 K18 V33 L36 I37 L40A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 VanDerWaalsContact O-CG 3.27Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.26Å; L11-L14 PolarHBondContact O-N 3.49Å; L14-K16 PolarHBondContact O-N 3.32Å; L14-Y17 PolarHBondContact O-N 3.28Å; L14-K18 WeakPolarHBondContact O-CB 3.42Å; L14-K18 PolarHBondContact O-N 3.38Å; L14-V33 HydrophobicContact CB-CG1 4.34Å; L14-V33 HydrophobicContact CD2-CG1 4.43Å; L14-L36 HydrophobicContact CD1-CB 4.32Å; L14-L36 HydrophobicContact CD1-CD2 3.47Å; L14-L36 VanDerWaalsContact CD1-CD2 3.47Å; L14-L36 HydrophobicContact CD1-CG 3.63Å; L14-L36 HydrophobicContact CD2-CD2 3.65Å; L14-L36 HydrophobicContact CG-CD2 4.2Å; L14-I37 HydrophobicContact CB-CD1 4.16Å; L14-I37 HydrophobicContact CB-CG1 3.82Å; L14-I37 HydrophobicContact CD1-CG1 4.41Å; L14-L40 HydrophobicContact CD1-CD1 3.54Å
15T89.5Confident85.4Confident50 Ų5097.7 Ų97.731%0.30747%0.466SS..Hα-helixtrans-64.4-41.4176.6-570000111.5L11 I13 R19L11-T15 VanDerWaalsContact O-CB 3.3Å; L11-T15 WeakPolarHBondContact O-CB 3.4Å; L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.74Å; I13-T15 PolarHBondContact O-N 3.47Å; T15-R19 WeakPolarHBondContact O-CG 3.49Å; T15-R19 PolarHBondContact O-N 2.91Å
16K89.3Confident85.7Confident124 Ų12493.1 Ų93.154%0.53945%0.448SS..Hα-helixtrans-63.6-43.4175-177.1-179.7178.3-178.30111.2H12 I13 L14 R19H12-K16 WeakPolarHBondContact O-CB 3.26Å; H12-K16 PolarHBondContact O-N 2.96Å; I13-K16 PolarHBondContact O-N 2.8Å; L14-K16 PolarHBondContact O-N 3.32Å; K16-R19 PolarHBondContact O-N 3.46Å
17Y87.2Confident85.6Confident107 Ų10795.2 Ų95.242%0.4245%0.453SS..Hα-helixtrans-68.2-40.1-179-167.4-131000111.8I13 L14 R19 Q20 L21 F29I13-Y17 VanDerWaalsContact O-CB 3.32Å; I13-Y17 WeakPolarHBondContact O-CB 3.32Å; I13-Y17 PolarHBondContact O-N 3.03Å; L14-Y17 PolarHBondContact O-N 3.28Å; Y17-R19 PolarHBondContact O-N 3.41Å; Y17-Q20 WeakPolarHBondContact O-CB 3.28Å; Y17-Q20 PolarHBondContact O-N 2.89Å; Y17-L21 PolarHBondContact O-N 3.5Å; Y17-F29 HydrophobicContact CD1-CE1 4.06Å; Y17-F29 AromaticContact CE1-CE1 3.28Å; Y17-F29 HydrophobicContact CE1-CE1 3.28Å; Y17-F29 AromaticContact CE1-CZ 3.62Å; Y17-F29 HydrophobicContact CE1-CZ 3.62Å; Y17-F29 AromaticContact CZ-CE1 3.92Å
18K88Confident85.4Confident57 Ų5798.8 Ų98.825%0.24848%0.478CS..Hα-helixtrans-53.5-39.7172.3-174-174.6174-178.10112.6L14 Q20 L21 V33 D34 I37L14-K18 WeakPolarHBondContact O-CB 3.42Å; L14-K18 PolarHBondContact O-N 3.38Å; K18-Q20 PolarHBondContact O-N 3.31Å; K18-L21 PolarHBondContact O-N 2.98Å; K18-V33 HydrophobicContact CB-CG1 3.96Å; K18-D34 VanDerWaalsContact CD-OD1 3.24Å; K18-D34 WeakPolarHBondContact CD-OD1 3.3Å; K18-D34 WeakPolarHBondContact CE-OD1 3.28Å; K18-D34 VanDerWaalsContact CE-OD2 3.24Å; K18-D34 WeakPolarHBondContact CE-OD2 3.4Å; K18-D34 IonicContact NZ-OD1 2.71Å; K18-D34 PolarHBondContact NZ-OD1 2.69Å; K18-D34 IonicContact NZ-OD2 3.43Å; K18-D34 PolarHBondContact NZ-OD2 2.91Å; K18-D34 VanDerWaalsContact NZ-OD2 3.1Å; K18-I37 HydrophobicContact CD-CD1 4.28Å
19R88.1Confident85.3Confident208 Ų20899.3 Ų99.379%0.78547%0.47SS*.THydrogen-bonded Turntrans-70-19.3178.8-70.2177.5-179.7179.80.8113.8T15 K16 Y17T15-R19 WeakPolarHBondContact O-CG 3.49Å; T15-R19 PolarHBondContact O-N 2.91Å; K16-R19 PolarHBondContact O-N 3.46Å; Y17-R19 PolarHBondContact O-N 3.41Å
20Q87Confident85.4Confident136 Ų13693.4 Ų93.464%0.63645%0.448SS*.THydrogen-bonded Turntrans-88.1-13.4177.9-65.7-179.8-27.200112.7Y17 K18Y17-Q20 WeakPolarHBondContact O-CB 3.28Å; Y17-Q20 PolarHBondContact O-N 2.89Å; K18-Q20 PolarHBondContact O-N 3.31Å
21L84.8Confident85.3Confident18 Ų1895.8 Ų95.89%0.09446%0.456CS..SBendtrans-84.4134.8-180-65168.3000111.3Y17 K18 D26 F29 R30 V33Y17-L21 PolarHBondContact O-N 3.5Å; K18-L21 PolarHBondContact O-N 2.98Å; L21-D26 HydrophobicContact CB-CB 4.08Å; L21-D26 HydrophobicContact CD2-CB 3.99Å; L21-F29 HydrophobicContact CD1-CD1 3.47Å; L21-F29 VanDerWaalsContact CD1-CD1 3.47Å; L21-F29 HydrophobicContact CD1-CE1 3.88Å; L21-F29 HydrophobicContact CD2-CD1 3.59Å; L21-F29 HydrophobicContact CD2-CE1 3.99Å; L21-F29 HydrophobicContact CG-CD1 4.18Å; L21-R30 HydrophobicContact CB-CG 3.58Å; L21-R30 HydrophobicContact CD1-CG 3.61Å; L21-R30 HydrophobicContact CG-CG 4.26Å; L21-R30 PolarHBondContact O-NH1 3.32Å; L21-V33 HydrophobicContact CD1-CG2 4.26Å
22D84.8Confident85Confident84 Ų8496.7 Ų96.745%0.44947%0.468SS..  trans-72.3140.7175.9-179.2-87.7000110.6K24 T25 D26D22-K24 VanDerWaalsContact C-N 3.3Å; D22-K24 PolarHBondContact O-N 3.49Å; D22-K24 WeakPolarHBondContact OD1-CA 3.16Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 PolarHBondContact OD1-N 3.37Å; D22-T25 WeakPolarHBondContact CB-OG1 3.33Å; D22-T25 PolarHBondContact OD1-N 2.88Å; D22-D26 PolarHBondContact N-OD2 3.44Å; D22-D26 WeakPolarHBondContact O-CB 3.29Å; D22-D26 PolarHBondContact O-N 3.49Å
23E81.3Confident85.1Confident138 Ų13890.8 Ų90.865%0.64544%0.441SS*.THydrogen-bonded Turntrans-70.3-25.6-175.2-74.7-171.7166.200113.8R30E23-R30 VanDerWaalsContact CG-CZ 3.43Å; E23-R30 IonicContact OE1-CZ 3.69Å; E23-R30 IonicContact OE1-NH1 3.49Å; E23-R30 IonicContact OE1-NH2 3.37Å; E23-R30 PolarHBondContact OE1-NH2 3.39Å
24K77.8Confident85.1Confident191 Ų19188.3 Ų88.383%0.8343%0.429SS*.THydrogen-bonded Turntrans-96.8-44-175.6-66.1-178.1-179.2177.40111.6D22D22-K24 VanDerWaalsContact C-N 3.3Å; D22-K24 PolarHBondContact O-N 3.49Å; D22-K24 WeakPolarHBondContact OD1-CA 3.16Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 PolarHBondContact OD1-N 3.37Å
25T77.7Confident85Confident104 Ų10494.3 Ų94.364%0.63845%0.454SS*.THydrogen-bonded Turntrans-79.3-36.7-176.763.40000112.5D22D22-T25 WeakPolarHBondContact CB-OG1 3.33Å; D22-T25 PolarHBondContact OD1-N 2.88Å
26D81.1Confident85.1Confident52 Ų5295.8 Ų95.828%0.27846%0.46SS..SBendtrans-106.524.6-167.1-52.2-33.1000112.7L21 D22 S28 F29 R30L21-D26 HydrophobicContact CB-CB 4.08Å; L21-D26 HydrophobicContact CD2-CB 3.99Å; D22-D26 PolarHBondContact N-OD2 3.44Å; D22-D26 WeakPolarHBondContact O-CB 3.29Å; D22-D26 PolarHBondContact O-N 3.49Å; D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.08Å; D26-F29 CarbonylContact O-C 3.48Å; D26-F29 PolarHBondContact O-N 2.89Å; D26-R30 PolarHBondContact O-N 3.38Å
27K80.1Confident85.2Confident138 Ų13890.5 Ų90.560%0.644%0.437SS*.Hα-helixtrans-54.2-45.5-172-173.5179.2-178.7-1790113.4F29 N31K27-F29 VanDerWaalsContact C-N 3.28Å; K27-F29 PolarHBondContact O-N 2.6Å; K27-N31 WeakPolarHBondContact O-CB 3.46Å; K27-N31 PolarHBondContact O-N 3.21Å; K27-N31 PolarHBondContact O-ND2 3.14Å
28S78.9Confident85.3Confident96 Ų9690.1 Ų90.167%0.67144%0.443SS*.Hα-helixtrans-62.1-39.5178.255.40000111.7D26 N31 A32D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.08Å; S28-N31 PolarHBondContact O-N 3.46Å; S28-A32 PolarHBondContact O-N 2.99Å; S28-A32 VanDerWaalsContact O-N 3.1Å
29F82.8Confident85.4Confident92 Ų9291 Ų9140%0.40445%0.452SS..Hα-helixtrans-77.2-39.7-177.6-166.7-101.7000112Y17 L21 D26 K27 N31 A32 V33Y17-F29 HydrophobicContact CD1-CE1 4.06Å; Y17-F29 AromaticContact CE1-CE1 3.28Å; Y17-F29 HydrophobicContact CE1-CE1 3.28Å; Y17-F29 AromaticContact CE1-CZ 3.62Å; Y17-F29 HydrophobicContact CE1-CZ 3.62Å; Y17-F29 AromaticContact CZ-CE1 3.92Å; L21-F29 HydrophobicContact CD1-CD1 3.47Å; L21-F29 VanDerWaalsContact CD1-CD1 3.47Å; L21-F29 HydrophobicContact CD1-CE1 3.88Å; L21-F29 HydrophobicContact CD2-CD1 3.59Å; L21-F29 HydrophobicContact CD2-CE1 3.99Å; L21-F29 HydrophobicContact CG-CD1 4.18Å; D26-F29 CarbonylContact O-C 3.48Å; D26-F29 PolarHBondContact O-N 2.89Å; K27-F29 VanDerWaalsContact C-N 3.28Å; K27-F29 PolarHBondContact O-N 2.6Å; F29-N31 VanDerWaalsContact C-N 3.3Å; F29-N31 PolarHBondContact O-N 2.85Å; F29-A32 WeakPolarHBondContact O-CB 3.46Å; F29-A32 PolarHBondContact O-N 3.26Å; F29-A32 VanDerWaalsContact O-N 3.13Å; F29-V33 HydrophobicContact CD1-CG2 4.26Å; F29-V33 HydrophobicContact CE1-CG2 3.93Å; F29-V33 HydrophobicContact CZ-CG2 4.37Å; F29-V33 WeakPolarHBondContact O-CG2 3.46Å; F29-V33 PolarHBondContact O-N 3.06Å
30R87.6Confident85.5Confident48 Ų4882 Ų8218%0.18142%0.42CS..Hα-helixtrans-57.2-43.5168.3-81.9-176.677.8147-18.6111.4L21 E23 D26 A32 V33 D34L21-R30 HydrophobicContact CB-CG 3.58Å; L21-R30 HydrophobicContact CD1-CG 3.61Å; L21-R30 HydrophobicContact CG-CG 4.26Å; L21-R30 PolarHBondContact O-NH1 3.32Å; E23-R30 VanDerWaalsContact CG-CZ 3.43Å; E23-R30 IonicContact OE1-CZ 3.69Å; E23-R30 IonicContact OE1-NH1 3.49Å; E23-R30 IonicContact OE1-NH2 3.37Å; E23-R30 PolarHBondContact OE1-NH2 3.39Å; D26-R30 PolarHBondContact O-N 3.38Å; R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.38Å; R30-V33 PolarHBondContact O-N 2.61Å; R30-D34 WeakPolarHBondContact O-CB 3.46Å; R30-D34 PolarHBondContact O-N 2.89Å
31N85.5Confident85.7Confident85 Ų8581.2 Ų81.246%0.45542%0.416SS..Hα-helixtrans-61.5-38.2176.1-72.5-15000112.3K27 S28 F29 K35K27-N31 WeakPolarHBondContact O-CB 3.46Å; K27-N31 PolarHBondContact O-N 3.21Å; K27-N31 PolarHBondContact O-ND2 3.14Å; S28-N31 PolarHBondContact O-N 3.46Å; F29-N31 VanDerWaalsContact C-N 3.3Å; F29-N31 PolarHBondContact O-N 2.85Å; N31-K35 WeakPolarHBondContact O-CG 3.43Å; N31-K35 PolarHBondContact O-N 3.23Å
32A85.7Confident85.9Confident53 Ų5382 Ų8244%0.43842%0.424SS..Hα-helixtrans-67.4-43.9175.600000112S28 F29 R30 D34 K35 L36S28-A32 PolarHBondContact O-N 2.99Å; S28-A32 VanDerWaalsContact O-N 3.1Å; F29-A32 WeakPolarHBondContact O-CB 3.46Å; F29-A32 PolarHBondContact O-N 3.26Å; F29-A32 VanDerWaalsContact O-N 3.13Å; R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.38Å; A32-D34 VanDerWaalsContact C-N 3.33Å; A32-D34 PolarHBondContact O-N 3.08Å; A32-K35 PolarHBondContact O-N 2.96Å; A32-L36 PolarHBondContact O-N 3.14Å; A32-L36 VanDerWaalsContact O-N 3.12Å
33V89.4Confident86.1Confident7 Ų785.9 Ų85.94%0.04244%0.439CS..Hα-helixtrans-62.3-40.7175.3174.70000111.1L14 K18 L21 F29 R30 L36 I37L14-V33 HydrophobicContact CB-CG1 4.34Å; L14-V33 HydrophobicContact CD2-CG1 4.43Å; K18-V33 HydrophobicContact CB-CG1 3.96Å; L21-V33 HydrophobicContact CD1-CG2 4.26Å; F29-V33 HydrophobicContact CD1-CG2 4.26Å; F29-V33 HydrophobicContact CE1-CG2 3.93Å; F29-V33 HydrophobicContact CZ-CG2 4.37Å; F29-V33 WeakPolarHBondContact O-CG2 3.46Å; F29-V33 PolarHBondContact O-N 3.06Å; R30-V33 PolarHBondContact O-N 2.61Å; V33-L36 PolarHBondContact O-N 3.46Å; V33-I37 HydrophobicContact CG1-CD1 3.96Å; V33-I37 HydrophobicContact CG1-CG1 4.44Å; V33-I37 WeakPolarHBondContact O-CG1 3.4Å; V33-I37 PolarHBondContact O-N 3.04Å
34D90.2Very high86.3Confident40 Ų4086.1 Ų86.121%0.21444%0.444CS..Hα-helixtrans-64.4-41.5176.8-84.6-30.3000112.9K18 R30 A32 L36 I37 N38K18-D34 VanDerWaalsContact CD-OD1 3.24Å; K18-D34 WeakPolarHBondContact CD-OD1 3.3Å; K18-D34 WeakPolarHBondContact CE-OD1 3.28Å; K18-D34 VanDerWaalsContact CE-OD2 3.24Å; K18-D34 WeakPolarHBondContact CE-OD2 3.4Å; K18-D34 IonicContact NZ-OD1 2.71Å; K18-D34 PolarHBondContact NZ-OD1 2.69Å; K18-D34 IonicContact NZ-OD2 3.43Å; K18-D34 PolarHBondContact NZ-OD2 2.91Å; K18-D34 VanDerWaalsContact NZ-OD2 3.1Å; R30-D34 WeakPolarHBondContact O-CB 3.46Å; R30-D34 PolarHBondContact O-N 2.89Å; A32-D34 VanDerWaalsContact C-N 3.33Å; A32-D34 PolarHBondContact O-N 3.08Å; D34-L36 VanDerWaalsContact C-N 3.27Å; D34-L36 PolarHBondContact O-N 2.92Å; D34-I37 PolarHBondContact O-N 3.11Å; D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 PolarHBondContact O-N 3.15Å; D34-N38 PolarHBondContact O-ND2 3.3Å
35K89Confident86.9Confident152 Ų15279.1 Ų79.166%0.66141%0.413SS*.Hα-helixtrans-57.7-43.2171.8-75.1178180-1730111.2N31 A32 N38 T39N31-K35 WeakPolarHBondContact O-CG 3.43Å; N31-K35 PolarHBondContact O-N 3.23Å; A32-K35 PolarHBondContact O-N 2.96Å; K35-N38 PolarHBondContact O-N 3.1Å; K35-T39 PolarHBondContact O-N 2.85Å; K35-T39 PolarHBondContact O-OG1 3.49Å
36L91.4Very high87.2Confident82 Ų8276.8 Ų76.843%0.42940%0.402SS..Hα-helixtrans-67.7-42-179.5-171.762.2000112.6L14 A32 V33 D34 T39 L40L14-L36 HydrophobicContact CD1-CB 4.32Å; L14-L36 HydrophobicContact CD1-CD2 3.47Å; L14-L36 VanDerWaalsContact CD1-CD2 3.47Å; L14-L36 HydrophobicContact CD1-CG 3.63Å; L14-L36 HydrophobicContact CD2-CD2 3.65Å; L14-L36 HydrophobicContact CG-CD2 4.2Å; A32-L36 PolarHBondContact O-N 3.14Å; A32-L36 VanDerWaalsContact O-N 3.12Å; V33-L36 PolarHBondContact O-N 3.46Å; D34-L36 VanDerWaalsContact C-N 3.27Å; D34-L36 PolarHBondContact O-N 2.92Å; L36-T39 PolarHBondContact O-N 3.18Å; L36-L40 HydrophobicContact CG-CD1 4.42Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 3.15Å
37I90.4Very high87.5Confident12 Ų1277 Ų776%0.06241%0.407CS..Hα-helixtrans-58.9-50.3173.9-69.2170000109.7L11 L14 K18 V33 D34 T39 L40 E41L11-I37 HydrophobicContact CD2-CB 4.47Å; L11-I37 HydrophobicContact CD2-CG2 4.05Å; L14-I37 HydrophobicContact CB-CD1 4.16Å; L14-I37 HydrophobicContact CB-CG1 3.82Å; L14-I37 HydrophobicContact CD1-CG1 4.41Å; K18-I37 HydrophobicContact CD-CD1 4.28Å; V33-I37 HydrophobicContact CG1-CD1 3.96Å; V33-I37 HydrophobicContact CG1-CG1 4.44Å; V33-I37 WeakPolarHBondContact O-CG1 3.4Å; V33-I37 PolarHBondContact O-N 3.04Å; D34-I37 PolarHBondContact O-N 3.11Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 3.46Å; I37-L40 PolarHBondContact O-N 3.47Å; I37-L40 VanDerWaalsContact O-N 3.16Å; I37-E41 HydrophobicContact CG2-CG 4.34Å; I37-E41 WeakPolarHBondContact O-CB 3.41Å; I37-E41 WeakPolarHBondContact O-CG 3.34Å; I37-E41 PolarHBondContact O-N 2.9Å
38N89.8Confident87.9Confident100 Ų10074.7 Ų74.754%0.53540%0.401SS..Hα-helixtrans-61.3-36.5179.5-68.8-16.4000112.6D34 K35 S42D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 PolarHBondContact O-N 3.15Å; D34-N38 PolarHBondContact O-ND2 3.3Å; K35-N38 PolarHBondContact O-N 3.1Å; N38-S42 PolarHBondContact O-N 2.79Å
39T91Very high88.2Confident74 Ų7471.3 Ų71.345%0.45438%0.375SS..Hα-helixtrans-65.2-46.4174.9-60.40000111.3K35 L36 I37 E41 S42 F45K35-T39 PolarHBondContact O-N 2.85Å; K35-T39 PolarHBondContact O-OG1 3.49Å; L36-T39 PolarHBondContact O-N 3.18Å; I37-T39 VanDerWaalsContact C-N 3.29Å; I37-T39 PolarHBondContact O-N 3.46Å; T39-E41 VanDerWaalsContact C-N 3.31Å; T39-E41 PolarHBondContact O-N 3.45Å; T39-S42 VanDerWaalsContact O-CB 3.28Å; T39-S42 WeakPolarHBondContact O-CB 3.41Å; T39-S42 PolarHBondContact O-N 2.9Å; T39-S42 VanDerWaalsContact O-N 3.14Å; T39-S42 PolarHBondContact O-OG 3.37Å; T39-F45 WeakPolarHBondContact O-CB 3.3Å
40L89.9Confident88.3Confident21 Ų2170.1 Ų70.111%0.1137%0.372CS..Hα-helixtrans-67.1-31.3179-70.7174.9000112.7A10 L11 L14 L36 I37 S42 F45A10-L40 HydrophobicContact CB-CD1 4.12Å; L11-L40 HydrophobicContact CD1-CB 4.37Å; L11-L40 HydrophobicContact CD2-CB 3.64Å; L11-L40 HydrophobicContact CD2-CD1 4.09Å; L11-L40 HydrophobicContact CG-CB 3.92Å; L11-L40 HydrophobicContact CG-CD1 4.14Å; L14-L40 HydrophobicContact CD1-CD1 3.54Å; L36-L40 HydrophobicContact CG-CD1 4.42Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 3.15Å; I37-L40 PolarHBondContact O-N 3.47Å; I37-L40 VanDerWaalsContact O-N 3.16Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-F45 HydrophobicContact CD2-CD1 4.2Å; L40-F45 HydrophobicContact CD2-CD2 4.39Å; L40-F45 HydrophobicContact CD2-CE1 3.62Å; L40-F45 HydrophobicContact CD2-CE2 3.81Å; L40-F45 HydrophobicContact CD2-CZ 3.38Å; L40-F45 WeakPolarHBondContact O-CD1 3.26Å
41E89.9Confident88.2Confident119 Ų11972.5 Ų72.556%0.55639%0.392SS*.THydrogen-bonded Turntrans-81.6-7.9174.2-69.1-178.3165.100113.3L11 I37 T39L11-E41 HydrophobicContact CD1-CG 4.17Å; L11-E41 HydrophobicContact CD2-CG 3.82Å; I37-E41 HydrophobicContact CG2-CG 4.34Å; I37-E41 WeakPolarHBondContact O-CB 3.41Å; I37-E41 WeakPolarHBondContact O-CG 3.34Å; I37-E41 PolarHBondContact O-N 2.9Å; T39-E41 VanDerWaalsContact C-N 3.31Å; T39-E41 PolarHBondContact O-N 3.45Å
42S90Very high88Confident35 Ų3572 Ų7225%0.24539%0.389CS..SBendtrans-67.4147.3-176.775.50000112.2N38 T39 L40 L44 F45 S46N38-S42 PolarHBondContact O-N 2.79Å; T39-S42 VanDerWaalsContact O-CB 3.28Å; T39-S42 WeakPolarHBondContact O-CB 3.41Å; T39-S42 PolarHBondContact O-N 2.9Å; T39-S42 VanDerWaalsContact O-N 3.14Å; T39-S42 PolarHBondContact O-OG 3.37Å; L40-S42 VanDerWaalsContact C-N 3.31Å; S42-L44 PolarHBondContact O-N 2.71Å; S42-F45 PolarHBondContact O-N 2.77Å; S42-F45 VanDerWaalsContact OG-CB 3.29Å; S42-F45 WeakPolarHBondContact OG-CB 3.33Å; S42-F45 PolarHBondContact OG-N 3.16Å; S42-F45 VanDerWaalsContact OG-N 3.08Å; S42-S46 PolarHBondContact O-N 2.83Å; S42-S46 PolarHBondContact O-OG 2.82Å; S42-S46 VanDerWaalsContact O-OG 3.14Å
43Q88Confident87.7Confident164 Ų16471 Ų7177%0.76638%0.375SS*.Hα-helixtrans-63.2-33.9174.5-170.2166.51.100111.5S46 S47Q43-S46 WeakPolarHBondContact O-CB 3.37Å; Q43-S46 PolarHBondContact O-N 2.94Å; Q43-S47 PolarHBondContact O-N 2.77Å; Q43-S47 PolarHBondContact O-OG 2.96Å; Q43-S47 VanDerWaalsContact O-OG 3.12Å
44L86.8Confident87.2Confident144 Ų14474.9 Ų74.975%0.75440%0.399SS*.Hα-helixtrans-60.7-46.8174.7178.663.1000111.6S42 S46 S47 L48S42-L44 PolarHBondContact O-N 2.71Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S47 PolarHBondContact O-N 3.46Å; L44-L48 PolarHBondContact O-N 3.42Å
45F90.3Very high86.6Confident43 Ų4379.8 Ų79.819%0.18942%0.416CS..Hα-helixtrans-65.3-40.2176.9-172.4-91000111.4C7 T39 L40 S42 S47 L48 M49C7-F45 HydrophobicContact CB-CE1 4.16Å; C7-F45 VanDerWaalsContact SG-CE1 3.55Å; T39-F45 WeakPolarHBondContact O-CB 3.3Å; L40-F45 HydrophobicContact CD2-CD1 4.2Å; L40-F45 HydrophobicContact CD2-CD2 4.39Å; L40-F45 HydrophobicContact CD2-CE1 3.62Å; L40-F45 HydrophobicContact CD2-CE2 3.81Å; L40-F45 HydrophobicContact CD2-CZ 3.38Å; L40-F45 WeakPolarHBondContact O-CD1 3.26Å; S42-F45 PolarHBondContact O-N 2.77Å; S42-F45 VanDerWaalsContact OG-CB 3.29Å; S42-F45 WeakPolarHBondContact OG-CB 3.33Å; S42-F45 PolarHBondContact OG-N 3.16Å; S42-F45 VanDerWaalsContact OG-N 3.08Å; F45-S47 PolarHBondContact O-N 2.91Å; F45-L48 WeakPolarHBondContact O-CB 3.27Å; F45-L48 PolarHBondContact O-N 3.32Å; F45-M49 HydrophobicContact CD1-CE 4.47Å; F45-M49 HydrophobicContact CD1-CG 3.87Å; F45-M49 HydrophobicContact CD2-CE 4.35Å; F45-M49 HydrophobicContact CE1-CE 3.8Å; F45-M49 HydrophobicContact CE1-CG 3.52Å; F45-M49 HydrophobicContact CE1-SD 3.82Å; F45-M49 HydrophobicContact CE2-CE 3.69Å; F45-M49 HydrophobicContact CZ-CE 3.38Å; F45-M49 HydrophobicContact CZ-CG 4.13Å; F45-M49 HydrophobicContact CZ-SD 3.87Å; F45-M49 WeakPolarHBondContact O-CG 3.15Å; F45-M49 PolarHBondContact O-N 3Å
46S84.4Confident85.8Confident56 Ų5675.8 Ų75.839%0.39240%0.399SS..Hα-helixtrans-59.1-46.9174.7-61.50000111.6S42 Q43 L44 L48 M49 D50S42-S46 PolarHBondContact O-N 2.83Å; S42-S46 PolarHBondContact O-OG 2.82Å; S42-S46 VanDerWaalsContact O-OG 3.14Å; Q43-S46 WeakPolarHBondContact O-CB 3.37Å; Q43-S46 PolarHBondContact O-N 2.94Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-L48 VanDerWaalsContact C-N 3.35Å; S46-L48 PolarHBondContact O-N 2.95Å; S46-M49 PolarHBondContact O-N 3.33Å; S46-D50 VanDerWaalsContact O-CG 3.3Å; S46-D50 PolarHBondContact O-N 2.93Å
47S86.8Confident84.7Confident56 Ų5677 Ų7739%0.39241%0.41SS..Hα-helixtrans-63.7-37.1175.5-620000112.9Q43 L44 F45 D50 V51Q43-S47 PolarHBondContact O-N 2.77Å; Q43-S47 PolarHBondContact O-OG 2.96Å; Q43-S47 VanDerWaalsContact O-OG 3.12Å; L44-S47 PolarHBondContact O-N 3.46Å; F45-S47 PolarHBondContact O-N 2.91Å; S47-D50 WeakPolarHBondContact O-CB 3.38Å; S47-D50 PolarHBondContact O-N 3.37Å; S47-V51 WeakPolarHBondContact O-CG2 3.47Å; S47-V51 PolarHBondContact O-N 2.83Å
48L88.8Confident83.8Confident90 Ų9081 Ų8147%0.47144%0.435SS..Hα-helixtrans-62.4-43.9173.1177.864.8000111.5L44 F45 S46 D50 V51 L52L44-L48 PolarHBondContact O-N 3.42Å; F45-L48 WeakPolarHBondContact O-CB 3.27Å; F45-L48 PolarHBondContact O-N 3.32Å; S46-L48 VanDerWaalsContact C-N 3.35Å; S46-L48 PolarHBondContact O-N 2.95Å; L48-D50 VanDerWaalsContact C-N 3.31Å; L48-D50 PolarHBondContact O-N 2.91Å; L48-V51 PolarHBondContact O-N 2.98Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 3.34Å
49M85Confident82.3Confident24 Ų2481.6 Ų81.612%0.11844%0.438CS..Hα-helixtrans-63.4-37.6175.9-66.4-62.4110.500111.8V3 F45 S46 L52 E53V3-M49 HydrophobicContact CG1-SD 3.63Å; F45-M49 HydrophobicContact CD1-CE 4.47Å; F45-M49 HydrophobicContact CD1-CG 3.87Å; F45-M49 HydrophobicContact CD2-CE 4.35Å; F45-M49 HydrophobicContact CE1-CE 3.8Å; F45-M49 HydrophobicContact CE1-CG 3.52Å; F45-M49 HydrophobicContact CE1-SD 3.82Å; F45-M49 HydrophobicContact CE2-CE 3.69Å; F45-M49 HydrophobicContact CZ-CE 3.38Å; F45-M49 HydrophobicContact CZ-CG 4.13Å; F45-M49 HydrophobicContact CZ-SD 3.87Å; F45-M49 WeakPolarHBondContact O-CG 3.15Å; F45-M49 PolarHBondContact O-N 3Å; S46-M49 PolarHBondContact O-N 3.33Å; M49-L52 HydrophobicContact CE-CD1 3.78Å; M49-L52 PolarHBondContact O-N 3.09Å; M49-E53 WeakPolarHBondContact O-CB 3.47Å; M49-E53 PolarHBondContact O-N 3.32Å
50D84Confident80.8Confident67 Ų6782.7 Ų82.736%0.35844%0.444SS..Hα-helixtrans-61.9-42.9174.5-66.1-28.7000111.3R4 S46 S47 L48 E53 V54R4-D50 IonicContact CZ-OD1 2.88Å; R4-D50 VanDerWaalsContact CZ-OD1 3.28Å; R4-D50 IonicContact NH1-OD1 2.58Å; R4-D50 IonicContact NH2-OD1 3.1Å; R4-D50 PolarHBondContact NH2-OD1 3.12Å; S46-D50 VanDerWaalsContact O-CG 3.3Å; S46-D50 PolarHBondContact O-N 2.93Å; S47-D50 WeakPolarHBondContact O-CB 3.38Å; S47-D50 PolarHBondContact O-N 3.37Å; L48-D50 VanDerWaalsContact C-N 3.31Å; L48-D50 PolarHBondContact O-N 2.91Å; D50-E53 PolarHBondContact O-N 3.32Å; D50-V54 WeakPolarHBondContact O-CG2 3.48Å; D50-V54 PolarHBondContact O-N 2.7Å
51V85Confident78.9Confident99 Ų9984.2 Ų84.260%0.647%0.465SS*.Hα-helixtrans-65.7-43.3176.6173.50000111.7S47 L48 E53 V54 Y55S47-V51 WeakPolarHBondContact O-CG2 3.47Å; S47-V51 PolarHBondContact O-N 2.83Å; L48-V51 PolarHBondContact O-N 2.98Å; V51-E53 VanDerWaalsContact C-N 3.3Å; V51-E53 PolarHBondContact O-N 3.08Å; V51-V54 PolarHBondContact O-N 3.09Å; V51-Y55 PolarHBondContact O-N 2.78Å
52L82.6Confident76.5Confident74 Ų7485.2 Ų85.239%0.38747%0.474SS..Hα-helixtrans-64.5-35.7176.6-72176.2000112L48 M49 Y55 E56L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 3.34Å; M49-L52 HydrophobicContact CE-CD1 3.78Å; M49-L52 PolarHBondContact O-N 3.09Å; L52-Y55 WeakPolarHBondContact O-CB 3.31Å; L52-Y55 PolarHBondContact O-N 3.26Å; L52-E56 WeakPolarHBondContact O-CB 3.31Å; L52-E56 PolarHBondContact O-N 2.93Å
53E79.2Confident73.9Confident31 Ų3191.5 Ų91.515%0.14551%0.505CS..Hα-helixtrans-65.9-42.1174.7179.9163.5-137.700111.5M1 R4 M49 D50 V51 Y55 E56 V57M1-E53 WeakPolarHBondContact CE-OE1 3.38Å; M1-E53 WeakPolarHBondContact CG-OE1 3.34Å; R4-E53 IonicContact CZ-OE2 3.76Å; R4-E53 IonicContact NE-OE1 3.28Å; R4-E53 IonicContact NE-OE2 3.03Å; R4-E53 PolarHBondContact NE-OE2 3.19Å; R4-E53 IonicContact NH2-OE2 3.59Å; R4-E53 PolarHBondContact NH2-OE2 3.39Å; M49-E53 WeakPolarHBondContact O-CB 3.47Å; M49-E53 PolarHBondContact O-N 3.32Å; D50-E53 PolarHBondContact O-N 3.32Å; V51-E53 VanDerWaalsContact C-N 3.3Å; V51-E53 PolarHBondContact O-N 3.08Å; E53-Y55 VanDerWaalsContact C-N 3.33Å; E53-Y55 PolarHBondContact O-N 3.48Å; E53-E56 PolarHBondContact O-N 2.91Å; E53-V57 WeakPolarHBondContact O-CB 3.38Å; E53-V57 VanDerWaalsContact O-CG2 3.26Å; E53-V57 WeakPolarHBondContact O-CG2 3.37Å; E53-V57 PolarHBondContact O-N 2.72Å
54V78.2Confident71.7Confident90 Ų9093.2 Ų93.255%0.54551%0.51SS..Hα-helixtrans-61.4-44.1172.3174.10000110.5D50 V51 V57 T58D50-V54 WeakPolarHBondContact O-CG2 3.48Å; D50-V54 PolarHBondContact O-N 2.7Å; V51-V54 PolarHBondContact O-N 3.09Å; V54-V57 PolarHBondContact O-N 2.82Å; V54-T58 HydrophobicContact CG1-CG2 4.21Å; V54-T58 WeakPolarHBondContact O-CB 3.12Å; V54-T58 WeakPolarHBondContact O-CG2 3.14Å; V54-T58 PolarHBondContact O-N 3.1Å; V54-T58 PolarHBondContact O-OG1 2.77Å
55Y77.3Confident69.2Low142 Ų14294.9 Ų94.956%0.55751%0.514SS*.Hα-helixtrans-59.3-47.6176.6-179.4-85.3000111.8V51 L52 E53 V57 T58 L59V51-Y55 PolarHBondContact O-N 2.78Å; L52-Y55 WeakPolarHBondContact O-CB 3.31Å; L52-Y55 PolarHBondContact O-N 3.26Å; E53-Y55 VanDerWaalsContact C-N 3.33Å; E53-Y55 PolarHBondContact O-N 3.48Å; Y55-V57 PolarHBondContact O-N 2.88Å; Y55-T58 PolarHBondContact O-N 3.04Å; Y55-T58 PolarHBondContact O-OG1 2.88Å; Y55-L59 HydrophobicContact CD1-CD1 4.49Å; Y55-L59 HydrophobicContact CD2-CD1 3.34Å; Y55-L59 HydrophobicContact CE1-CD1 4.33Å; Y55-L59 HydrophobicContact CE2-CD1 3.14Å; Y55-L59 HydrophobicContact CE2-CG 4.47Å; Y55-L59 HydrophobicContact CG-CD1 4.03Å; Y55-L59 WeakPolarHBondContact O-CB 3.24Å; Y55-L59 PolarHBondContact O-N 3Å
56E72.1Confident66.4Low68 Ų68103.2 Ų103.232%0.31855%0.55SS.*Hα-helixtrans-63.6-45-179.4-159.6-179.3-167.800110.7L52 E53 T58 T60L52-E56 WeakPolarHBondContact O-CB 3.31Å; L52-E56 PolarHBondContact O-N 2.93Å; E53-E56 PolarHBondContact O-N 2.91Å; E56-T58 PolarHBondContact O-N 3.35Å; E56-T60 HydrophobicContact CG-CG2 4.34Å; E56-T60 WeakPolarHBondContact O-CB 3.39Å; E56-T60 PolarHBondContact O-N 2.9Å; E56-T60 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-OG1 2.85Å
57V70.1Confident64.1Low107 Ų107106.3 Ų106.365%0.64857%0.567SS**Hα-helixtrans-66.9-37.2178.6174.10000112.3E53 V54 Y55E53-V57 WeakPolarHBondContact O-CB 3.38Å; E53-V57 VanDerWaalsContact O-CG2 3.26Å; E53-V57 WeakPolarHBondContact O-CG2 3.37Å; E53-V57 PolarHBondContact O-N 2.72Å; V54-V57 PolarHBondContact O-N 2.82Å; Y55-V57 PolarHBondContact O-N 2.88Å
58T71.1Confident61.5Low97 Ų97108.5 Ų108.560%0.59558%0.582SS**Hα-helixtrans-84.5-32.4-176.350.70000114.1V54 Y55 E56V54-T58 HydrophobicContact CG1-CG2 4.21Å; V54-T58 WeakPolarHBondContact O-CB 3.12Å; V54-T58 WeakPolarHBondContact O-CG2 3.14Å; V54-T58 PolarHBondContact O-N 3.1Å; V54-T58 PolarHBondContact O-OG1 2.77Å; Y55-T58 PolarHBondContact O-N 3.04Å; Y55-T58 PolarHBondContact O-OG1 2.88Å; E56-T58 PolarHBondContact O-N 3.35Å
59L58.6Low59.1Low113 Ų113112 Ų11259%0.59260%0.596SS**Hα-helixtrans-109.2-20.2-172.6-75.3154.8000114.8Y55Y55-L59 HydrophobicContact CD1-CD1 4.49Å; Y55-L59 HydrophobicContact CD2-CD1 3.34Å; Y55-L59 HydrophobicContact CE1-CD1 4.33Å; Y55-L59 HydrophobicContact CE2-CD1 3.14Å; Y55-L59 HydrophobicContact CE2-CG 4.47Å; Y55-L59 HydrophobicContact CG-CD1 4.03Å; Y55-L59 WeakPolarHBondContact O-CB 3.24Å; Y55-L59 PolarHBondContact O-N 3Å
60T58.7Low56.9Low97 Ų97119 Ų11960%0.59563%0.628SS**SBendtrans-98.8-0.9176.3730000113.8E56 N62E56-T60 HydrophobicContact CG-CG2 4.34Å; E56-T60 WeakPolarHBondContact O-CB 3.39Å; E56-T60 PolarHBondContact O-N 2.9Å; E56-T60 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-OG1 2.85Å; T60-N62 PolarHBondContact O-N 3.29Å
61G50.9Low54.7Low52 Ų52119.8 Ų119.854%0.53665%0.645SS.*SBendtrans-75.3-3.6-174.100000117.3
62N39.1Very low52.4Low141 Ų141119.7 Ų119.775%0.75465%0.649SS**SBendtrans-148.1109.3178.3-83.2-32.7000110.7T60T60-N62 PolarHBondContact O-N 3.29Å
63N35.9Very low50.2Low167 Ų167123.3 Ų123.389%0.89367%0.668SS**  trans161.772144.4-78.6-22.1000109.8
64K40.7Very low48.4Very low200 Ų200126.6 Ų126.687%0.8769%0.694SS**SBendtrans-128.9127.3154.4-78.2-172176.6178.20108.1
65E34.8Very low46.5Very low179 Ų179127.7 Ų127.784%0.83670%0.701SS**  trans82.379.3166.5-63.3174.6175.300117.2
66F30.7Very low44.5Very low218 Ų218126.8 Ų126.896%0.95671%0.706SS**  trans-9397.1143.7-125.6-89.4000107.5
67T36.5Very low42.9Very low121 Ų121130.8 Ų130.874%0.74273%0.728SS**  trans-140.9115.7156.737.50000108
68S32.5Very low41.1Very low102 Ų102134.7 Ų134.771%0.71373%0.733SS**  trans-48.2134.3168.151.10000111.7
69E39.2Very low39.6Very low163 Ų163138.7 Ų138.776%0.76274%0.744SS**  167.8132.8120.5-92.3-179.312400111.7
70Q39Very low38.6Very low170 Ų170138.2 Ų138.279%0.79475%0.75SS**  trans76112.6146.5-67.2178.49.100121.1
71A36.5Very low37.6Very low85 Ų85137.2 Ų137.270%0.70276%0.759SS**  91.7107.6120.200000119.6
72S36.5Very low37.2Very low97 Ų97139.8 Ų139.868%0.67877%0.769SS**  77.8129.312655.10000120.9
73D37.2Very low37.2Very low150 Ų150139.6 Ų139.680%0.80277%0.768SS**  trans77.2136.7147.4-61.5-15.1000116.8
74S41.5Very low37.5Very low99 Ų99138.9 Ų138.969%0.69276%0.762SS**  cis171.4142.5-3.750.10000102.3
75V37.5Very low37.7Very low114 Ų114134.6 Ų134.669%0.69176%0.758SS**  167.2137.773.7168.50000107
76N35Very low38Very low122 Ų122132.3 Ų132.365%0.65276%0.758SS**  trans1.9157.1146.3-61.7-29.5000120.4
77I38.5Very low38.4Very low153 Ų153125.6 Ų125.679%0.78575%0.75SS**  -167.9149.571.4-78.5175.2000112.7
78Y33.3Very low38.5Very low189 Ų189127.5 Ų127.574%0.74176%0.756SS**  trans-81.4164.9-175-63.7-102.8000116.5
79H39.6Very low39Very low180 Ų180131 Ų13183%0.83376%0.761SS**  trans161150.6131.1-89.7-41.3000111
80S38.1Very low38.8Very low104 Ų104129.2 Ų129.273%0.72777%0.767SS**  cis173.4130.5-29.6-95.10000106.2
81G36.4Very low38.9Very low75 Ų75128.6 Ų128.677%0.77377%0.768SS**  trans76.6154.4154.600000118.7
82S42.3Very low39.1Very low107 Ų107130.1 Ų130.175%0.74877%0.773SS**  cis-172.5149.41.3-58.60000109.7
83N40.4Very low39.2Very low137 Ų137134.2 Ų134.273%0.73378%0.779SS**  trans70.7104.5142.8-60.2-23.1000124.7
84I41Very low39.3Very low151 Ų151133 Ų13377%0.77478%0.779SS**  48.5110.4111.5-55.5161.2000119.8
85S45.5Very low39Very low111 Ų111136.2 Ų136.278%0.77679%0.788SS**  164.4153.9105.8-110.10000113.2
86P41.6Very low39.4Very low131 Ų131135.2 Ų135.285%0.85179%0.786SS**  trans-101.4151.4-150.537.7-31.9000115.1
87G39.2Very low40Very low76 Ų76135.2 Ų135.278%0.78479%0.792SS**  trans-147127.9171.900000110.8Q89G87-Q89 PolarHBondContact O-N 2.5Å
88N37.8Very low39.8Very low162 Ų162135 Ų13587%0.86679%0.793SS**  trans-41.3127.1-179.9-74.5-28.2000114.8
89Q42.8Very low39.7Very low176 Ų176131.4 Ų131.482%0.82279%0.794SS**  trans-167114.5135.7-105.51628000109.1G87 L91G87-Q89 PolarHBondContact O-N 2.5Å; Q89-L91 PolarHBondContact O-N 2.93Å; Q89-L91 VanDerWaalsContact O-N 3.08Å
90S36.1Very low39.4Very low125 Ų125128.6 Ų128.687%0.87479%0.789SS**  trans-63.399.7168.6490000109.3
91L39.4Very low39.2Very low157 Ų157127.3 Ų127.382%0.82278%0.78SS**  trans-112.4110.3167.1-130.276.6000108.3Q89Q89-L91 PolarHBondContact O-N 2.93Å; Q89-L91 VanDerWaalsContact O-N 3.08Å
92S41.3Very low39.2Very low116 Ų116131.1 Ų131.181%0.81178%0.781SS**  trans-53143.5176.842.40000112.6
93K38.6Very low39.2Very low184 Ų184133.7 Ų133.780%0.878%0.779SS**  trans-34.9142.4173.1-77.3171.1172.5178.40113.7L95K93-L95 PolarHBondContact O-N 2.89Å
94P39.5Very low39.7Very low125 Ų125128.2 Ų128.281%0.81276%0.755SS**PPolyproline II helixtrans-65123.6170.727.6-28.5000108.5S96P94-S96 PolarHBondContact O-N 2.58Å
95L36.2Very low40.6Very low166 Ų166127.7 Ų127.787%0.86975%0.749SS**PPolyproline II helixtrans-56.8119.4173.6-73.5116.7000109K93K93-L95 PolarHBondContact O-N 2.89Å
96S44.1Very low42Very low92 Ų92127.5 Ų127.564%0.64373%0.732SS**PPolyproline II helixtrans-50.9132157.8350000108.7P94 D98P94-S96 PolarHBondContact O-N 2.58Å; S96-D98 PolarHBondContact O-N 2.93Å; S96-D98 VanDerWaalsContact O-N 3.16Å
97P47.7Very low43.7Very low122 Ų122125.6 Ų125.679%0.79271%0.711SS**PPolyproline II helixtrans-62.8123.3166.727.5-29.3000106.2C99P97-C99 VanDerWaalsContact C-N 3.27Å; P97-C99 PolarHBondContact O-N 3.38Å
98D34.9Very low45.8Very low149 Ų149128.7 Ų128.780%0.79770%0.7SS**  trans-51.995.3171.1-71.6-48.2000108.7S96 V100S96-D98 PolarHBondContact O-N 2.93Å; S96-D98 VanDerWaalsContact O-N 3.16Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.48Å; D98-V100 VanDerWaalsContact O-N 3.08Å
99C32.2Very low48.1Very low113 Ų113122.7 Ų122.776%0.76467%0.668SS**  trans-72.598.1162-173.40000104.9P97 S101P97-C99 VanDerWaalsContact C-N 3.27Å; P97-C99 PolarHBondContact O-N 3.38Å; C99-S101 PolarHBondContact O-N 3.39Å
100V32.9Very low50.4Low121 Ų121119.6 Ų119.673%0.73366%0.657SS**  trans-62.589.4164-178.90000106.2D98 I102D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.48Å; D98-V100 VanDerWaalsContact O-N 3.08Å; V100-I102 VanDerWaalsContact C-N 3.31Å; V100-I102 HydrophobicContact CG1-CG1 4.07Å; V100-I102 PolarHBondContact O-N 3.18Å
101S33Very low53.1Low77 Ų77113.7 Ų113.754%0.53862%0.616SS.*  trans-66.993.6170.1-157.90000106.3C99 K103C99-S101 PolarHBondContact O-N 3.39Å; S101-K103 PolarHBondContact O-N 2.83Å; S101-K103 WeakPolarHBondContact OG-CG 3Å
102I37.3Very low55.6Low156 Ų156109.8 Ų109.880%0.860%0.595SS**  trans-74.165.6164.4-49.1178.6000106.5V100 G104V100-I102 VanDerWaalsContact C-N 3.31Å; V100-I102 HydrophobicContact CG1-CG1 4.07Å; V100-I102 PolarHBondContact O-N 3.18Å; I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.2Å; I102-G104 VanDerWaalsContact O-N 3.15Å
103K42.7Very low58Low160 Ų160104.3 Ų104.370%0.69656%0.556SS**  trans-7790.5163.1-84-178.5175.9-171.30105.6S101 E105S101-K103 PolarHBondContact O-N 2.83Å; S101-K103 WeakPolarHBondContact OG-CG 3Å; K103-E105 PolarHBondContact O-N 3.12Å
104G50.7Low60.4Low22 Ų22102.2 Ų102.223%0.22755%0.548CS..PPolyproline II helixtrans-60.6121.4159.900000107.4I102I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.2Å; I102-G104 VanDerWaalsContact O-N 3.15Å
105E59.5Low62.2Low141 Ų14198 Ų9866%0.65952%0.516SS*.EExtended strand (participates in β ladder)trans-92139.7178.2-69.9-169.4157.800108.8K103 V200K103-E105 PolarHBondContact O-N 3.12Å; E105-V200 PolarHBondContact O-N 3.24Å
106W74Confident63.8Low106 Ų10694.2 Ų94.240%0.40250%0.496SS..EExtended strand (participates in β ladder)trans-83.6124.5168.4-70.393.1000108.2Y108 R197 R198 F199W106-Y108 HydrophobicContact CB-CE2 4.14Å; W106-R197 HydrophobicContact CE3-CB 4.03Å; W106-R197 HydrophobicContact CE3-CG 3.76Å; W106-R197 HydrophobicContact CZ3-CG 3.99Å; W106-R198 CarbonylContact C-O 3.6Å; W106-R198 WeakPolarHBondContact CA-O 3.33Å; W106-R198 VanDerWaalsContact CE3-C 3.49Å; W106-F199 HydrophobicContact CD2-CB 4.5Å; W106-F199 HydrophobicContact CD2-CD2 4.13Å; W106-F199 AromaticContact CE2-CD2 3.8Å; W106-F199 HydrophobicContact CE3-CB 4.1Å; W106-F199 HydrophobicContact CH2-CB 4.07Å; W106-F199 HydrophobicContact CH2-CD2 4.43Å; W106-F199 HydrophobicContact CZ2-CB 4.45Å; W106-F199 AromaticContact CZ2-CD2 3.97Å; W106-F199 HydrophobicContact CZ2-CD2 3.97Å; W106-F199 HydrophobicContact CZ3-CB 3.88Å
107E78.2Confident64.7Low91 Ų9194.9 Ų94.943%0.42550%0.501SS..EExtended strand (participates in β ladder)trans-91.1135.9167.7-177.9-178.3-153.300108.6L109 R197 R198 V200E107-L109 HydrophobicContact CG-CD1 4.25Å; E107-L109 HydrophobicContact CG-CG 4.18Å; E107-R197 CarbonylContact O-C 3.56Å; E107-R197 VanDerWaalsContact O-CA 3.26Å; E107-R197 WeakPolarHBondContact O-CA 3.24Å; E107-R198 PolarHBondContact N-O 3.04Å; E107-R198 PolarHBondContact O-N 2.75Å; E107-V200 HydrophobicContact CB-CG2 3.5Å
108Y82Confident65.1Low142 Ų14294.2 Ų94.256%0.55750%0.495SS*.EExtended strand (participates in β ladder)trans-105.3131.5175.1-68.5-102.1000108.6W106 L166 V196 R197W106-Y108 HydrophobicContact CB-CE2 4.14Å; Y108-L166 HydrophobicContact CD1-CD1 3.79Å; Y108-L166 HydrophobicContact CE1-CD1 3.6Å; Y108-V196 CarbonylContact C-O 3.54Å; Y108-V196 WeakPolarHBondContact CA-O 3.15Å; Y108-R197 HydrophobicContact CD1-CB 4Å; Y108-R197 HydrophobicContact CE1-CB 4Å; Y108-R197 HydrophobicContact CG-CB 4.43Å
109L88Confident66Low36 Ų3688.4 Ų88.419%0.18847%0.467CS..EExtended strand (participates in β ladder)trans-126.6133.1-177.4-55.7114000110.6E107 I111 V196 R198E107-L109 HydrophobicContact CG-CD1 4.25Å; E107-L109 HydrophobicContact CG-CG 4.18Å; L109-I111 HydrophobicContact CB-CD1 4.39Å; L109-I111 HydrophobicContact CB-CG1 4.18Å; L109-V196 HydrophobicContact CB-CG2 3.77Å; L109-V196 HydrophobicContact CD1-CG2 4Å; L109-V196 PolarHBondContact N-O 3.29Å; L109-V196 PolarHBondContact O-N 2.78Å; L109-R198 HydrophobicContact CD1-CB 3.91Å
110D89.3Confident67.2Low110 Ų11086 Ų8659%0.58845%0.448SS*.EExtended strand (participates in β ladder)trans-91.2117.8165.3-67.1-70.8000109.1H193 L194D110-H193 IonicContact OD1-CE1 3.89Å; D110-H193 IonicContact OD1-NE2 2.74Å; D110-L194 WeakPolarHBondContact CA-O 3.42Å
111I92.8Very high68.7Low1 Ų181.4 Ų81.41%0.00543%0.426CS..EExtended strand (participates in β ladder)trans-121.2117.6-176.3-57.7175.8000108.8L109 L113 K158 L159 L194 V196L109-I111 HydrophobicContact CB-CD1 4.39Å; L109-I111 HydrophobicContact CB-CG1 4.18Å; I111-L113 HydrophobicContact CG2-CD2 3.73Å; I111-L113 HydrophobicContact CG2-CG 4Å; I111-K158 HydrophobicContact CD1-CB 4.05Å; I111-K158 HydrophobicContact CG1-CB 4.09Å; I111-K158 HydrophobicContact CG2-CB 4.15Å; I111-L159 HydrophobicContact CD1-CB 4.18Å; I111-L159 HydrophobicContact CD1-CD1 3.84Å; I111-L194 HydrophobicContact CB-CB 4.29Å; I111-L194 PolarHBondContact N-O 3.21Å; I111-L194 PolarHBondContact O-N 3.33Å; I111-V196 HydrophobicContact CD1-CG1 4.46Å; I111-V196 HydrophobicContact CD1-CG2 3.63Å; I111-V196 HydrophobicContact CG1-CG2 4.31Å
112I93.1Very high70.7Confident75 Ų7578.5 Ų78.539%0.38541%0.409SS..EExtended strand (participates in β ladder)trans-102.2104.4173.7-58.9170.5000108.4K114 Q191 L192I112-K114 HydrophobicContact CG2-CG 4.19Å; I112-Q191 HydrophobicContact CG2-CG 3.77Å; I112-L192 CarbonylContact C-O 3.54Å; I112-L192 WeakPolarHBondContact CA-O 3.47Å
113L91.7Very high73.1Confident1 Ų171.4 Ų71.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-89.4128.8170.4-56.6-178.6000109.1I111 F123 F125 A153 D156 L159 Q191 L192 L194I111-L113 HydrophobicContact CG2-CD2 3.73Å; I111-L113 HydrophobicContact CG2-CG 4Å; L113-F123 HydrophobicContact CB-CD1 3.71Å; L113-F123 HydrophobicContact CB-CE1 4.24Å; L113-F123 HydrophobicContact CD1-CB 4.18Å; L113-F123 HydrophobicContact CD1-CD1 4.48Å; L113-F125 HydrophobicContact CD1-CD1 4.09Å; L113-F125 HydrophobicContact CD1-CE1 3.8Å; L113-A153 HydrophobicContact CD1-CB 3.9Å; L113-D156 HydrophobicContact CD2-CB 3.55Å; L113-L159 HydrophobicContact CD1-CD2 4.42Å; L113-Q191 WeakPolarHBondContact O-CA 3.5Å; L113-L192 HydrophobicContact CB-CB 4.27Å; L113-L192 PolarHBondContact N-O 2.82Å; L113-L192 PolarHBondContact O-N 3.36Å; L113-L194 HydrophobicContact CD1-CD1 4.15Å
114K88.4Confident75.3Confident141 Ų14164.4 Ų64.461%0.61335%0.345SS*.EExtended strand (participates in β ladder)trans-113.5131.4174.3-66.4-176.7179.4-177.70109.1I112 Q191I112-K114 HydrophobicContact CG2-CG 4.19Å; K114-Q191 HydrophobicContact CG-CG 4.25Å
115R77.9Confident77.2Confident37 Ų3763.7 Ų63.714%0.1434%0.336CS..  trans-87134.9168.5-170.1172.364.2163.33.5108.2S117 A119 G121 F123 N190 S226R115-S117 PolarHBondContact O-N 3.18Å; R115-A119 HydrophobicContact CG-CB 4.22Å; R115-G121 WeakPolarHBondContact CD-O 3.27Å; R115-G121 PolarHBondContact NH1-O 2.85Å; R115-F123 HydrophobicContact CB-CE1 4.32Å; R115-N190 PolarHBondContact N-O 3.28Å; R115-N190 PolarHBondContact NE-OD1 2.85Å; R115-N190 PolarHBondContact NH2-OD1 3.33Å; R115-S226 PolarHBondContact NH1-OG 3.49Å; R115-S226 PolarHBondContact NH2-OG 3.49Å
116D69.7Low78.7Confident86 Ų8657.9 Ų57.946%0.4631%0.311SS..  trans-64.3132.5166-169.2-38.2000107.2T118 A119D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 PolarHBondContact OD1-N 2.87Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.17Å; D116-A119 HydrophobicContact CB-CB 3.95Å; D116-A119 WeakPolarHBondContact O-CB 3.39Å; D116-A119 PolarHBondContact O-N 3.46Å
117S61.9Low79.6Confident106 Ų10653 Ų5374%0.74129%0.293SS*.THydrogen-bonded Turntrans-54.4-20.5177.345.70000113R115R115-S117 PolarHBondContact O-N 3.18Å
118T56Low80Confident108 Ų10849 Ų4966%0.66328%0.275SS*.THydrogen-bonded Turntrans-95.9-5.817863.20000114.3D116 V120D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 PolarHBondContact OD1-N 2.87Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.17Å; T118-V120 PolarHBondContact O-N 2.98Å
119A55.6Low80.3Confident27 Ų2742.3 Ų42.322%0.22325%0.249CC..  trans-86.4111.3-179.300000111.2R115 D116 G121R115-A119 HydrophobicContact CG-CB 4.22Å; D116-A119 HydrophobicContact CB-CB 3.95Å; D116-A119 WeakPolarHBondContact O-CB 3.39Å; D116-A119 PolarHBondContact O-N 3.46Å; A119-G121 PolarHBondContact O-N 2.91Å
120V55.6Low80.2Confident61 Ų6140.6 Ų40.637%0.3724%0.24SC..  trans-69.522179.6-168.40000113.2T118T118-V120 PolarHBondContact O-N 2.98Å
121G64.6Low79.9Confident26 Ų2639.1 Ų39.127%0.26823%0.231SC..SBendtrans-117.9163.4-173.100000114R115 A119R115-G121 WeakPolarHBondContact CD-O 3.27Å; R115-G121 PolarHBondContact NH1-O 2.85Å; A119-G121 PolarHBondContact O-N 2.91Å
122G74.9Confident79.5Confident16 Ų1642.9 Ų42.917%0.16525%0.251CS..  trans-69.6-171.2164.400000112.6G124 V224G122-G124 PolarHBondContact O-N 2.78Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G122-V224 WeakPolarHBondContact CA-O 3.45Å
123F87.8Confident78.8Confident7 Ų739.6 Ų39.63%0.03123%0.234CC..  trans-70.8-2.7174.4-68.2-78.9000113.8L113 R115 F125 C152 A153 G189 L192L113-F123 HydrophobicContact CB-CD1 3.71Å; L113-F123 HydrophobicContact CB-CE1 4.24Å; L113-F123 HydrophobicContact CD1-CB 4.18Å; L113-F123 HydrophobicContact CD1-CD1 4.48Å; R115-F123 HydrophobicContact CB-CE1 4.32Å; F123-F125 HydrophobicContact CB-CD1 3.85Å; F123-F125 HydrophobicContact CB-CE1 3.49Å; F123-F125 VanDerWaalsContact CB-CE1 3.49Å; F123-F125 HydrophobicContact CG-CE1 4.45Å; F123-C152 HydrophobicContact CD1-CB 4.48Å; F123-C152 CarbonylContact O-C 3.52Å; F123-C152 WeakPolarHBondContact O-CB 3.27Å; F123-C152 PolarHBondContact O-N 3.43Å; F123-A153 WeakPolarHBondContact O-CB 3.4Å; F123-A153 PolarHBondContact O-N 3.38Å; F123-G189 VanDerWaalsContact CZ-O 3.31Å; F123-G189 WeakPolarHBondContact CZ-O 3.42Å; F123-L192 HydrophobicContact CB-CD2 4.3Å; F123-L192 HydrophobicContact CD1-CB 3.95Å; F123-L192 HydrophobicContact CD1-CD2 4.32Å; F123-L192 HydrophobicContact CD2-CB 4.29Å; F123-L192 HydrophobicContact CD2-CD1 4.46Å; F123-L192 HydrophobicContact CD2-CD2 3.84Å; F123-L192 HydrophobicContact CD2-CG 4.47Å; F123-L192 HydrophobicContact CE1-CB 3.61Å; F123-L192 HydrophobicContact CE2-CB 3.98Å; F123-L192 HydrophobicContact CE2-CD1 4.1Å; F123-L192 HydrophobicContact CE2-CD2 4.23Å; F123-L192 HydrophobicContact CE2-CG 4.37Å; F123-L192 HydrophobicContact CG-CB 4.28Å; F123-L192 HydrophobicContact CG-CD2 3.89Å; F123-L192 HydrophobicContact CZ-CB 3.64Å; F123-L192 HydrophobicContact CZ-CD1 4.45Å; F123-L192 HydrophobicContact CZ-CG 4.49Å
124G88.9Confident78.1Confident13 Ų1341.4 Ų41.413%0.13425%0.246CC..SBendtrans78.135.3170.200000114.7G122 A148G122-G124 PolarHBondContact O-N 2.78Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G124-A148 PolarHBondContact O-N 3Å
125F92.1Very high77.2Confident6 Ų638 Ų383%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-147.3160.2172.166.9-87.3000111.5L113 F123 I127 V144 R146 I147 A153 L159 I165 L185 L192 L194L113-F125 HydrophobicContact CD1-CD1 4.09Å; L113-F125 HydrophobicContact CD1-CE1 3.8Å; F123-F125 HydrophobicContact CB-CD1 3.85Å; F123-F125 HydrophobicContact CB-CE1 3.49Å; F123-F125 VanDerWaalsContact CB-CE1 3.49Å; F123-F125 HydrophobicContact CG-CE1 4.45Å; F125-I127 HydrophobicContact CD2-CG2 3.88Å; F125-I127 HydrophobicContact CE2-CG2 3.64Å; F125-V144 HydrophobicContact CB-CG1 4.33Å; F125-V144 HydrophobicContact CD2-CG2 4.33Å; F125-R146 CarbonylContact C-O 3.6Å; F125-R146 WeakPolarHBondContact CA-O 3.14Å; F125-R146 WeakPolarHBondContact CB-O 3.29Å; F125-I147 HydrophobicContact CB-CD1 3.68Å; F125-A153 HydrophobicContact CB-CB 4.19Å; F125-A153 HydrophobicContact CD1-CB 3.96Å; F125-L159 HydrophobicContact CB-CD2 3.96Å; F125-L159 HydrophobicContact CD1-CD2 3.71Å; F125-L159 HydrophobicContact CD2-CD2 3.99Å; F125-L159 HydrophobicContact CE1-CD2 4.13Å; F125-L159 HydrophobicContact CE2-CD2 4.4Å; F125-L159 HydrophobicContact CG-CD2 3.62Å; F125-L159 HydrophobicContact CZ-CD2 4.45Å; F125-I165 HydrophobicContact CE2-CD1 3.75Å; F125-I165 HydrophobicContact CZ-CD1 4.42Å; F125-L185 HydrophobicContact CE2-CD2 4.47Å; F125-L185 HydrophobicContact CZ-CD2 4Å; F125-L192 HydrophobicContact CE1-CD2 3.76Å; F125-L192 HydrophobicContact CZ-CD2 3.71Å; F125-L194 HydrophobicContact CE1-CD1 4.38Å; F125-L194 HydrophobicContact CZ-CD1 4.15Å
126S90.9Very high77Confident20 Ų2039.4 Ų39.414%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-115.5148.9177.8-50.80000110.5V144 T145 R146S126-V144 CarbonylContact O-C 3.57Å; S126-V144 WeakPolarHBondContact O-CA 3.46Å; S126-T145 WeakPolarHBondContact CB-OG1 3.19Å; S126-T145 PolarHBondContact O-N 3.4Å; S126-T145 PolarHBondContact O-OG1 2.79Å; S126-R146 PolarHBondContact N-O 2.92Å
127I92.2Very high77Confident4 Ų442.9 Ų42.92%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-120154.2178.869.2175.4000112F125 I142 Y143 I165 A181 V182 L185F125-I127 HydrophobicContact CD2-CG2 3.88Å; F125-I127 HydrophobicContact CE2-CG2 3.64Å; I127-I142 HydrophobicContact CB-CG2 3.94Å; I127-I142 HydrophobicContact CD1-CG2 3.88Å; I127-I142 HydrophobicContact CG1-CG2 4.39Å; I127-I142 HydrophobicContact CG2-CG2 4.21Å; I127-Y143 CarbonylContact C-O 3.57Å; I127-Y143 WeakPolarHBondContact CA-O 3.36Å; I127-I165 HydrophobicContact CG2-CD1 3.76Å; I127-A181 HydrophobicContact CD1-CB 3.97Å; I127-V182 HydrophobicContact CD1-CG2 3.82Å; I127-V182 HydrophobicContact CG1-CG2 4.35Å; I127-L185 HydrophobicContact CD1-CD1 3.48Å; I127-L185 VanDerWaalsContact CD1-CD1 3.48Å; I127-L185 HydrophobicContact CG1-CD1 4.5Å; I127-L185 HydrophobicContact CG2-CD1 4.16Å
128A86.5Confident77.6Confident7 Ų744 Ų446%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-139.5176.4164.800000109.8I142 Y143 T145 R220A128-I142 CarbonylContact O-C 3.58Å; A128-I142 WeakPolarHBondContact O-CA 3.2Å; A128-Y143 PolarHBondContact N-O 3.13Å; A128-Y143 PolarHBondContact O-N 2.82Å; A128-T145 HydrophobicContact CB-CG2 3.42Å; A128-T145 VanDerWaalsContact CB-CG2 3.42Å; A128-R220 HydrophobicContact CB-CG 4.37Å
129G88.3Confident78.7Confident0 Ų040.6 Ų40.60%025%0.245CC..EExtended strand (participates in β ladder)trans98.3-169.3-175.600000112.8N133 G141 N178G129-N133 CarbonylContact C-O 3.52Å; G129-N133 WeakPolarHBondContact CA-O 3.49Å; G129-G141 CarbonylContact C-O 3.48Å; G129-G141 WeakPolarHBondContact CA-O 3.44Å; G129-N178 VanDerWaalsContact O-CB 3.26Å; G129-N178 WeakPolarHBondContact O-CB 3.29Å; G129-N178 PolarHBondContact O-ND2 3.47Å
130G86.4Confident80Confident0 Ų042.4 Ų42.40%025%0.249CC..  trans112.7164.9-173.700000112.2D132 N133 P134 H140 G141 V176G130-D132 VanDerWaalsContact C-N 3.27Å; G130-D132 PolarHBondContact O-N 2.89Å; G130-N133 CarbonylContact O-C 3.54Å; G130-N133 PolarHBondContact O-N 3.11Å; G130-P134 WeakPolarHBondContact O-CA 3.35Å; G130-H140 CarbonylContact C-O 3.57Å; G130-H140 WeakPolarHBondContact CA-O 3.44Å; G130-H140 PolarHBondContact N-O 3.13Å; G130-G141 PolarHBondContact N-O 3.48Å; G130-G141 VanDerWaalsContact N-O 3.13Å; G130-V176 CarbonylContact C-O 3.52Å; G130-V176 VanDerWaalsContact CA-O 3.25Å; G130-V176 WeakPolarHBondContact CA-O 3.33Å
131I82.9Confident81.6Confident80 Ų8039.9 Ų39.941%0.4124%0.235SC..THydrogen-bonded Turntrans-66.4-30.7-178.962175.2000113.2N133 H140 H175 V176 T177I131-N133 VanDerWaalsContact C-N 3.27Å; I131-H140 HydrophobicContact CG2-CB 3.98Å; I131-H175 VanDerWaalsContact CG2-C 3.42Å; I131-H175 VanDerWaalsContact CG2-CA 3.5Å; I131-H175 HydrophobicContact CG2-CB 4.13Å; I131-H175 WeakPolarHBondContact CG2-O 3.47Å; I131-V176 PolarHBondContact N-O 3.01Å; I131-T177 HydrophobicContact CD1-CG2 3.93Å; I131-T177 HydrophobicContact CG1-CG2 3.8Å
132D84Confident82.9Confident80 Ų8038.6 Ų38.643%0.42822%0.222SC..THydrogen-bonded Turntrans-77.1-19.5174.257.8-29.1000111.8G130 T177 N178G130-D132 VanDerWaalsContact C-N 3.27Å; G130-D132 PolarHBondContact O-N 2.89Å; D132-T177 HydrophobicContact CB-CG2 4.28Å; D132-T177 VanDerWaalsContact OD1-CA 3.27Å; D132-T177 WeakPolarHBondContact OD1-CA 3.43Å; D132-N178 PolarHBondContact OD1-N 2.81Å; D132-N178 PolarHBondContact OD2-N 3.25Å
133N78.3Confident83.8Confident5 Ų538.9 Ų38.93%0.02722%0.218CC..SBendtrans-146.464.2-174.2-172.436.2000114G129 G130 I131 S218 Y219G129-N133 CarbonylContact C-O 3.52Å; G129-N133 WeakPolarHBondContact CA-O 3.49Å; G130-N133 CarbonylContact O-C 3.54Å; G130-N133 PolarHBondContact O-N 3.11Å; I131-N133 VanDerWaalsContact C-N 3.27Å; N133-S218 PolarHBondContact ND2-OG 3.07Å; N133-S218 WeakPolarHBondContact OD1-CA 3.47Å; N133-S218 VanDerWaalsContact OD1-CB 3.25Å; N133-S218 WeakPolarHBondContact OD1-CB 3.21Å; N133-S218 PolarHBondContact OD1-OG 2.97Å; N133-Y219 HydrophobicContact CB-CD2 4.34Å; N133-Y219 WeakPolarHBondContact ND2-CA 2.92Å; N133-Y219 PolarHBondContact ND2-N 3.28Å; N133-Y219 PolarHBondContact ND2-O 3.39Å; N133-Y219 PolarHBondContact OD1-N 3.02Å
134P77Confident84Confident39 Ų3938.6 Ų38.625%0.25322%0.217SC..  trans-72.9147.2-172.132.3-37.3000112.2G130 T136 D139 H140G130-P134 WeakPolarHBondContact O-CA 3.35Å; P134-T136 VanDerWaalsContact C-N 3.32Å; P134-T136 WeakPolarHBondContact CB-O 3.43Å; P134-D139 CarbonylContact C-O 3.55Å; P134-D139 WeakPolarHBondContact CA-O 3.46Å; P134-D139 VanDerWaalsContact CB-O 3.28Å; P134-D139 WeakPolarHBondContact CB-O 3.4Å; P134-H140 WeakPolarHBondContact CB-ND1 3.27Å
135I70.7Confident84.1Confident71 Ų7140 Ų4036%0.36422%0.223SC..SBendtrans-70.5-35.5178.6-62.6-161.1000110.7D139 Y143I135-D139 PolarHBondContact N-O 3.1Å; I135-Y143 HydrophobicContact CD1-CD1 4.28Å; I135-Y143 HydrophobicContact CD1-CD2 3.06Å; I135-Y143 HydrophobicContact CD1-CE2 3.67Å; I135-Y143 HydrophobicContact CD1-CG 3.4Å; I135-Y143 VanDerWaalsContact CD1-CG 3.4Å; I135-Y143 HydrophobicContact CG1-CD2 3.89Å; I135-Y143 HydrophobicContact CG1-CE2 4.23Å
136T72.1Confident84Confident66 Ų6645.6 Ų45.641%0.40524%0.244SC..BIsolated β-bridgetrans-137.6162.5172.472.40000108.5P134 V138 D139P134-T136 VanDerWaalsContact C-N 3.32Å; P134-T136 WeakPolarHBondContact CB-O 3.43Å; T136-V138 PolarHBondContact O-N 3.41Å; T136-V138 WeakPolarHBondContact OG1-CG2 3.34Å; T136-D139 PolarHBondContact O-N 3.48Å; T136-D139 WeakPolarHBondContact OG1-CB 3.35Å; T136-D139 PolarHBondContact OG1-N 3.43Å
137D69.7Low83.9Confident159 Ų15946.1 Ų46.185%0.8525%0.245SC*.THydrogen-bonded Turntrans-56-15.4-179.5-63.5-34.2000114.5
138V75.6Confident83.6Confident129 Ų12947.1 Ų47.178%0.78225%0.253SS*.THydrogen-bonded Turntrans-114.5-6.4179.7-63.90000113.8T136T136-V138 PolarHBondContact O-N 3.41Å; T136-V138 WeakPolarHBondContact OG1-CG2 3.34Å
139D78.1Confident83.5Confident37 Ų3751.2 Ų51.220%0.19828%0.279CS..BIsolated β-bridgetrans-121.899.9-172.8-168.5-3.2000111.8P134 I135 T136 G141 Y143P134-D139 CarbonylContact C-O 3.55Å; P134-D139 WeakPolarHBondContact CA-O 3.46Å; P134-D139 VanDerWaalsContact CB-O 3.28Å; P134-D139 WeakPolarHBondContact CB-O 3.4Å; I135-D139 PolarHBondContact N-O 3.1Å; T136-D139 PolarHBondContact O-N 3.48Å; T136-D139 WeakPolarHBondContact OG1-CB 3.35Å; T136-D139 PolarHBondContact OG1-N 3.43Å; D139-G141 PolarHBondContact OD1-N 3.4Å; D139-Y143 VanDerWaalsContact CG-OH 3.25Å; D139-Y143 PolarHBondContact OD1-OH 2.77Å; D139-Y143 VanDerWaalsContact OD2-CZ 3.29Å; D139-Y143 PolarHBondContact OD2-OH 3.33Å
140H84.2Confident83.3Confident65 Ų6557.2 Ų57.230%0.30131%0.312SS..  trans-96.413.7-179.7-50.9-74.4000112.6G130 I131 P134G130-H140 CarbonylContact C-O 3.57Å; G130-H140 WeakPolarHBondContact CA-O 3.44Å; G130-H140 PolarHBondContact N-O 3.13Å; I131-H140 HydrophobicContact CG2-CB 3.98Å; P134-H140 WeakPolarHBondContact CB-ND1 3.27Å
141G88Confident83.3Confident7 Ų757.9 Ų57.97%0.07232%0.319CS..  trans-66164.9-178.600000113.6G129 G130 D139 Y143G129-G141 CarbonylContact C-O 3.48Å; G129-G141 WeakPolarHBondContact CA-O 3.44Å; G130-G141 PolarHBondContact N-O 3.48Å; G130-G141 VanDerWaalsContact N-O 3.13Å; D139-G141 PolarHBondContact OD1-N 3.4Å; G141-Y143 WeakPolarHBondContact O-CD2 3.44Å
142I92.7Very high83.6Confident0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-99.8127.2171.5-57.9-62.5000108.6I127 A128 Q164 I165 L173 V176 A181I127-I142 HydrophobicContact CB-CG2 3.94Å; I127-I142 HydrophobicContact CD1-CG2 3.88Å; I127-I142 HydrophobicContact CG1-CG2 4.39Å; I127-I142 HydrophobicContact CG2-CG2 4.21Å; A128-I142 CarbonylContact O-C 3.58Å; A128-I142 WeakPolarHBondContact O-CA 3.2Å; I142-Q164 CarbonylContact O-C 3.45Å; I142-Q164 WeakPolarHBondContact O-CA 3.47Å; I142-Q164 WeakPolarHBondContact O-CG 3.15Å; I142-I165 HydrophobicContact CG2-CB 4.38Å; I142-I165 HydrophobicContact CG2-CD1 4.43Å; I142-I165 PolarHBondContact O-N 2.87Å; I142-L173 HydrophobicContact CB-CD1 4.47Å; I142-L173 HydrophobicContact CG1-CB 4.17Å; I142-L173 HydrophobicContact CG1-CD1 4.35Å; I142-L173 HydrophobicContact CG2-CD1 4.38Å; I142-V176 HydrophobicContact CD1-CG2 4.25Å; I142-V176 HydrophobicContact CG1-CG2 4.14Å; I142-A181 HydrophobicContact CD1-CB 3.59Å; I142-A181 HydrophobicContact CG1-CB 3.78Å; I142-A181 HydrophobicContact CG2-CB 4.26Å
143Y93.1Very high84Confident22 Ų2250.7 Ų50.79%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-128.7145.1-171.8-71.1-95.9000112.6I127 A128 I135 D139 G141 T145 D163 Q164I127-Y143 CarbonylContact C-O 3.57Å; I127-Y143 WeakPolarHBondContact CA-O 3.36Å; A128-Y143 PolarHBondContact N-O 3.13Å; A128-Y143 PolarHBondContact O-N 2.82Å; I135-Y143 HydrophobicContact CD1-CD1 4.28Å; I135-Y143 HydrophobicContact CD1-CD2 3.06Å; I135-Y143 HydrophobicContact CD1-CE2 3.67Å; I135-Y143 HydrophobicContact CD1-CG 3.4Å; I135-Y143 VanDerWaalsContact CD1-CG 3.4Å; I135-Y143 HydrophobicContact CG1-CD2 3.89Å; I135-Y143 HydrophobicContact CG1-CE2 4.23Å; D139-Y143 VanDerWaalsContact CG-OH 3.25Å; D139-Y143 PolarHBondContact OD1-OH 2.77Å; D139-Y143 VanDerWaalsContact OD2-CZ 3.29Å; D139-Y143 PolarHBondContact OD2-OH 3.33Å; G141-Y143 WeakPolarHBondContact O-CD2 3.44Å; Y143-T145 PolarHBondContact O-N 3.27Å; Y143-D163 CarbonylContact C-O 3.53Å; Y143-D163 WeakPolarHBondContact CA-O 3.36Å; Y143-Q164 HydrophobicContact CD1-CB 3.81Å; Y143-Q164 HydrophobicContact CD1-CG 4.23Å; Y143-Q164 HydrophobicContact CD2-CG 4.37Å; Y143-Q164 HydrophobicContact CE1-CB 3.48Å; Y143-Q164 VanDerWaalsContact CE1-CB 3.48Å; Y143-Q164 HydrophobicContact CE1-CG 3.86Å; Y143-Q164 HydrophobicContact CE2-CG 4.05Å; Y143-Q164 HydrophobicContact CG-CB 4.47Å; Y143-Q164 HydrophobicContact CG-CG 4.48Å; Y143-Q164 PolarHBondContact OH-OE1 2.82Å
144V92.5Very high84.6Confident0 Ų054 Ų540%030%0.299CS..EExtended strand (participates in β ladder)trans-75.4121.1172.7-178.90000109.8F125 S126 I147 L159 R160 D162 D163 I165F125-V144 HydrophobicContact CB-CG1 4.33Å; F125-V144 HydrophobicContact CD2-CG2 4.33Å; S126-V144 CarbonylContact O-C 3.57Å; S126-V144 WeakPolarHBondContact O-CA 3.46Å; V144-I147 HydrophobicContact CG1-CD1 3.64Å; V144-I147 HydrophobicContact CG1-CG1 4.37Å; V144-L159 HydrophobicContact CG1-CD2 4.44Å; V144-L159 HydrophobicContact CG2-CD1 3.94Å; V144-L159 HydrophobicContact CG2-CD2 3.94Å; V144-L159 HydrophobicContact CG2-CG 4Å; V144-R160 WeakPolarHBondContact CB-O 3.19Å; V144-R160 WeakPolarHBondContact CG1-O 3.46Å; V144-D162 PolarHBondContact O-N 2.93Å; V144-D163 HydrophobicContact CB-CB 4.49Å; V144-D163 HydrophobicContact CG2-CB 4.16Å; V144-D163 PolarHBondContact N-O 2.9Å; V144-I165 HydrophobicContact CG2-CD1 4.01Å; V144-I165 HydrophobicContact CG2-CG1 4.09Å
145T90.6Very high85.2Confident42 Ų4259.2 Ų59.226%0.25831%0.314SS..EExtended strand (participates in β ladder)trans-103.4-23.5-179.353.70000113.4S126 A128 Y143S126-T145 WeakPolarHBondContact CB-OG1 3.19Å; S126-T145 PolarHBondContact O-N 3.4Å; S126-T145 PolarHBondContact O-OG1 2.79Å; A128-T145 HydrophobicContact CB-CG2 3.42Å; A128-T145 VanDerWaalsContact CB-CG2 3.42Å; Y143-T145 PolarHBondContact O-N 3.27Å
146R89.7Confident86.2Confident125 Ų12558.3 Ų58.347%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-153.4143-178.3-174.9178.2177.7-175.1-1.1110F125 S126F125-R146 CarbonylContact C-O 3.6Å; F125-R146 WeakPolarHBondContact CA-O 3.14Å; F125-R146 WeakPolarHBondContact CB-O 3.29Å; S126-R146 PolarHBondContact N-O 2.92Å
147I88.5Confident87.2Confident31 Ų3157.4 Ų57.416%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-108.2126.6164.5-58.6-60.1000107.3F125 V144 A153 D154 L159 V161F125-I147 HydrophobicContact CB-CD1 3.68Å; V144-I147 HydrophobicContact CG1-CD1 3.64Å; V144-I147 HydrophobicContact CG1-CG1 4.37Å; I147-A153 HydrophobicContact CD1-CB 4.07Å; I147-A153 HydrophobicContact CG2-CB 4.35Å; I147-D154 HydrophobicContact CG2-CB 3.64Å; I147-L159 HydrophobicContact CD1-CB 4.31Å; I147-L159 HydrophobicContact CD1-CD2 3.88Å; I147-L159 HydrophobicContact CD1-CG 4.06Å; I147-V161 HydrophobicContact CG1-CG2 4.24Å
148A86.2Confident88.4Confident24 Ų2454.6 Ų54.620%0.19829%0.294CS..  trans-78125.5179.500000109.6G124 N150 G151 D154G124-A148 PolarHBondContact O-N 3Å; A148-N150 PolarHBondContact O-N 2.95Å; A148-G151 PolarHBondContact O-N 3.02Å; A148-D154 VanDerWaalsContact O-CB 3.29Å; A148-D154 WeakPolarHBondContact O-CB 3.48Å
149P85.5Confident89.2Confident93 Ų9348.8 Ų48.860%0.60426%0.258SS*.THydrogen-bonded Turntrans-54.6135.6177.9-24.833.5000111.7G151 D154P149-G151 PolarHBondContact O-N 3.16Å; P149-G151 VanDerWaalsContact O-N 3.15Å; P149-D154 WeakPolarHBondContact CA-OD2 3.41Å
150N83.8Confident90Very high127 Ų12753.8 Ų53.868%0.67927%0.274SS*.THydrogen-bonded Turntrans61.97.1-175.7-53.3-59.1000115.7A148 D154 R155A148-N150 PolarHBondContact O-N 2.95Å; N150-D154 PolarHBondContact N-OD2 2.99Å; N150-R155 PolarHBondContact O-NH1 2.85Å
151G85.6Confident90.3Very high14 Ų1453.9 Ų53.914%0.14428%0.279CS..SBendtrans-72.3172.9174.200000113.1A148 P149 A153 D154 R155A148-G151 PolarHBondContact O-N 3.02Å; P149-G151 PolarHBondContact O-N 3.16Å; P149-G151 VanDerWaalsContact O-N 3.15Å; G151-A153 VanDerWaalsContact C-N 3.34Å; G151-A153 PolarHBondContact O-N 2.82Å; G151-D154 PolarHBondContact O-N 3.33Å; G151-R155 WeakPolarHBondContact O-CB 3.36Å; G151-R155 WeakPolarHBondContact O-CG 3.48Å; G151-R155 PolarHBondContact O-N 2.83Å
152C89.3Confident90.3Very high9 Ų958.8 Ų58.86%0.06130%0.304CS..Hα-helixtrans-60.4-42-178.1-55.80000112.5F123 D156F123-C152 HydrophobicContact CD1-CB 4.48Å; F123-C152 CarbonylContact O-C 3.52Å; F123-C152 WeakPolarHBondContact O-CB 3.27Å; F123-C152 PolarHBondContact O-N 3.43Å; C152-D156 WeakPolarHBondContact O-CB 3.46Å; C152-D156 PolarHBondContact O-N 3.41Å
153A92.1Very high90.3Very high0 Ų058.8 Ų58.80%030%0.304CS..Hα-helixtrans-66.3-39.9176.700000112.8L113 F123 F125 I147 G151 G157 L159L113-A153 HydrophobicContact CD1-CB 3.9Å; F123-A153 WeakPolarHBondContact O-CB 3.4Å; F123-A153 PolarHBondContact O-N 3.38Å; F125-A153 HydrophobicContact CB-CB 4.19Å; F125-A153 HydrophobicContact CD1-CB 3.96Å; I147-A153 HydrophobicContact CD1-CB 4.07Å; I147-A153 HydrophobicContact CG2-CB 4.35Å; G151-A153 VanDerWaalsContact C-N 3.34Å; G151-A153 PolarHBondContact O-N 2.82Å; A153-G157 PolarHBondContact O-N 3.37Å; A153-L159 HydrophobicContact CB-CB 4.33Å; A153-L159 HydrophobicContact CB-CD2 3.99Å
154D91.2Very high90.3Very high73 Ų7358.4 Ų58.439%0.3930%0.303SS..Hα-helixtrans-64.8-46175.9-169.642.9000111.5I147 A148 P149 N150 G151 D156 G157I147-D154 HydrophobicContact CG2-CB 3.64Å; A148-D154 VanDerWaalsContact O-CB 3.29Å; A148-D154 WeakPolarHBondContact O-CB 3.48Å; P149-D154 WeakPolarHBondContact CA-OD2 3.41Å; N150-D154 PolarHBondContact N-OD2 2.99Å; G151-D154 PolarHBondContact O-N 3.33Å; D154-D156 PolarHBondContact O-N 2.95Å; D154-G157 WeakPolarHBondContact O-CA 3.28Å; D154-G157 PolarHBondContact O-N 3.15Å; D154-G157 VanDerWaalsContact O-N 3.17Å
155R89.8Confident90.4Very high149 Ų14958.4 Ų58.456%0.56230%0.303SS*.Hα-helixtrans-65.5-35.5178.1-68.7-171.3-56.9-123.211.6113.1N150 G151N150-R155 PolarHBondContact O-NH1 2.85Å; G151-R155 WeakPolarHBondContact O-CB 3.36Å; G151-R155 WeakPolarHBondContact O-CG 3.48Å; G151-R155 PolarHBondContact O-N 2.83Å
156D91.5Very high90.3Very high52 Ų5257.4 Ų57.428%0.27830%0.296SS..Hα-helixtrans-72.9-33.5173.4-173.168.4000111.6L113 C152 D154 K158L113-D156 HydrophobicContact CD2-CB 3.55Å; C152-D156 WeakPolarHBondContact O-CB 3.46Å; C152-D156 PolarHBondContact O-N 3.41Å; D154-D156 PolarHBondContact O-N 2.95Å; D156-K158 PolarHBondContact O-N 3.25Å; D156-K158 VanDerWaalsContact O-N 3.08Å; D156-K158 IonicContact OD1-NZ 2.8Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 VanDerWaalsContact OD2-CB 3.27Å; D156-K158 WeakPolarHBondContact OD2-CB 3.32Å; D156-K158 WeakPolarHBondContact OD2-CD 3.4Å; D156-K158 WeakPolarHBondContact OD2-CG 3.4Å; D156-K158 IonicContact OD2-NZ 3.99Å; D156-K158 PolarHBondContact OD2-NZ 3.13Å
157G93Very high90.3Very high47 Ų4752.4 Ų52.449%0.48528%0.28SS..  trans70.6-1.4172.800000115.5A153 D154A153-G157 PolarHBondContact O-N 3.37Å; D154-G157 WeakPolarHBondContact O-CA 3.28Å; D154-G157 PolarHBondContact O-N 3.15Å; D154-G157 VanDerWaalsContact O-N 3.17Å
158K94.4Very high90.5Very high101 Ų10151 Ų5144%0.43927%0.273SS..  trans-82.6-36.9-179.6-60.1-173-163.997.40113.1I111 D156 R198I111-K158 HydrophobicContact CD1-CB 4.05Å; I111-K158 HydrophobicContact CG1-CB 4.09Å; I111-K158 HydrophobicContact CG2-CB 4.15Å; D156-K158 PolarHBondContact O-N 3.25Å; D156-K158 VanDerWaalsContact O-N 3.08Å; D156-K158 IonicContact OD1-NZ 2.8Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 VanDerWaalsContact OD2-CB 3.27Å; D156-K158 WeakPolarHBondContact OD2-CB 3.32Å; D156-K158 WeakPolarHBondContact OD2-CD 3.4Å; D156-K158 WeakPolarHBondContact OD2-CG 3.4Å; D156-K158 IonicContact OD2-NZ 3.99Å; D156-K158 PolarHBondContact OD2-NZ 3.13Å; K158-R198 PolarHBondContact O-NH2 2.7Å
159L94.2Very high90.7Very high6 Ų652.3 Ų52.33%0.03128%0.276CS..  trans-78.2135.8179.1-166.671.9000109.8I111 L113 F125 V144 I147 A153 D163 L194 V196I111-L159 HydrophobicContact CD1-CB 4.18Å; I111-L159 HydrophobicContact CD1-CD1 3.84Å; L113-L159 HydrophobicContact CD1-CD2 4.42Å; F125-L159 HydrophobicContact CB-CD2 3.96Å; F125-L159 HydrophobicContact CD1-CD2 3.71Å; F125-L159 HydrophobicContact CD2-CD2 3.99Å; F125-L159 HydrophobicContact CE1-CD2 4.13Å; F125-L159 HydrophobicContact CE2-CD2 4.4Å; F125-L159 HydrophobicContact CG-CD2 3.62Å; F125-L159 HydrophobicContact CZ-CD2 4.45Å; V144-L159 HydrophobicContact CG1-CD2 4.44Å; V144-L159 HydrophobicContact CG2-CD1 3.94Å; V144-L159 HydrophobicContact CG2-CD2 3.94Å; V144-L159 HydrophobicContact CG2-CG 4Å; I147-L159 HydrophobicContact CD1-CB 4.31Å; I147-L159 HydrophobicContact CD1-CD2 3.88Å; I147-L159 HydrophobicContact CD1-CG 4.06Å; A153-L159 HydrophobicContact CB-CB 4.33Å; A153-L159 HydrophobicContact CB-CD2 3.99Å; L159-D163 HydrophobicContact CD1-CB 4.25Å; L159-L194 HydrophobicContact CD1-CD1 4.15Å; L159-L194 HydrophobicContact CD2-CD1 4.32Å; L159-V196 HydrophobicContact CD1-CG1 3.97Å
160R93.6Very high90.8Very high142 Ų14254.6 Ų54.654%0.53628%0.284SS..  trans-126.5157.9-179.8-65.7-178.2-167.9163.31.1110.8V144 D163 R198V144-R160 WeakPolarHBondContact CB-O 3.19Å; V144-R160 WeakPolarHBondContact CG1-O 3.46Å; R160-D163 PolarHBondContact N-OD2 2.74Å; R160-D163 VanDerWaalsContact O-CB 3.31Å; R160-D163 WeakPolarHBondContact O-CB 3.36Å; R160-D163 VanDerWaalsContact O-CG 3.26Å; R160-D163 PolarHBondContact O-N 2.8Å; R160-R198 VanDerWaalsContact CD-CZ 3.42Å; R160-R198 VanDerWaalsContact CG-NH2 3.3Å
161V91.3Very high91Very high67 Ų6752.7 Ų52.741%0.40627%0.272SS..THydrogen-bonded Turntrans-57.8143.9164.7-179.50000108.7I147 D163I147-V161 HydrophobicContact CG1-CG2 4.24Å; V161-D163 PolarHBondContact O-N 3.43Å
162D88.6Confident91Very high110 Ų11055 Ų5559%0.58829%0.286SS*.THydrogen-bonded Turntrans724.2-174.8-53.7-47.3000115.6V144 Q164V144-D162 PolarHBondContact O-N 2.93Å; D162-Q164 PolarHBondContact O-N 3.03Å
163D92.7Very high91Very high1 Ų154.6 Ų54.61%0.00528%0.284CS..PPolyproline II helixtrans-66.1133.3166-73-11.1000110.2Y143 V144 L159 R160 V161 V196 R198Y143-D163 CarbonylContact C-O 3.53Å; Y143-D163 WeakPolarHBondContact CA-O 3.36Å; V144-D163 HydrophobicContact CB-CB 4.49Å; V144-D163 HydrophobicContact CG2-CB 4.16Å; V144-D163 PolarHBondContact N-O 2.9Å; L159-D163 HydrophobicContact CD1-CB 4.25Å; R160-D163 PolarHBondContact N-OD2 2.74Å; R160-D163 VanDerWaalsContact O-CB 3.31Å; R160-D163 WeakPolarHBondContact O-CB 3.36Å; R160-D163 VanDerWaalsContact O-CG 3.26Å; R160-D163 PolarHBondContact O-N 2.8Å; V161-D163 PolarHBondContact O-N 3.43Å; D163-V196 HydrophobicContact CB-CB 4.39Å; D163-R198 VanDerWaalsContact CG-NH2 3.3Å; D163-R198 IonicContact OD1-CZ 3.7Å; D163-R198 VanDerWaalsContact OD1-CZ 3.31Å; D163-R198 IonicContact OD1-NE 2.74Å; D163-R198 PolarHBondContact OD1-NE 3.47Å; D163-R198 IonicContact OD1-NH2 3.31Å; D163-R198 PolarHBondContact OD1-NH2 3.1Å; D163-R198 VanDerWaalsContact OD1-NH2 3.09Å; D163-R198 IonicContact OD2-CZ 2.66Å; D163-R198 IonicContact OD2-NE 3.17Å; D163-R198 IonicContact OD2-NH2 3.67Å; D163-R198 PolarHBondContact OD2-NH2 3.42Å
164Q92.6Very high90.7Very high13 Ų1360.2 Ų60.26%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-90.7124.6170.1-171.3178.3-12.200110.2I142 Y143 D162 L166 V196 R197I142-Q164 CarbonylContact O-C 3.45Å; I142-Q164 WeakPolarHBondContact O-CA 3.47Å; I142-Q164 WeakPolarHBondContact O-CG 3.15Å; Y143-Q164 HydrophobicContact CD1-CB 3.81Å; Y143-Q164 HydrophobicContact CD1-CG 4.23Å; Y143-Q164 HydrophobicContact CD2-CG 4.37Å; Y143-Q164 HydrophobicContact CE1-CB 3.48Å; Y143-Q164 VanDerWaalsContact CE1-CB 3.48Å; Y143-Q164 HydrophobicContact CE1-CG 3.86Å; Y143-Q164 HydrophobicContact CE2-CG 4.05Å; Y143-Q164 HydrophobicContact CG-CB 4.47Å; Y143-Q164 HydrophobicContact CG-CG 4.48Å; Y143-Q164 PolarHBondContact OH-OE1 2.82Å; D162-Q164 PolarHBondContact O-N 3.03Å; Q164-L166 HydrophobicContact CG-CD2 4.18Å; Q164-V196 CarbonylContact O-C 3.52Å; Q164-V196 WeakPolarHBondContact O-CA 3.29Å; Q164-V196 WeakPolarHBondContact O-CB 2.94Å; Q164-R197 HydrophobicContact CB-CG 3.86Å; Q164-R197 PolarHBondContact N-O 3.49Å; Q164-R197 PolarHBondContact O-N 2.9Å
165I94.6Very high90.2Very high1 Ų163.3 Ų63.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-84.5118.6174.7-49.4178000108.9F125 I127 I142 V144 V168 L173 L194 V196F125-I165 HydrophobicContact CE2-CD1 3.75Å; F125-I165 HydrophobicContact CZ-CD1 4.42Å; I127-I165 HydrophobicContact CG2-CD1 3.76Å; I142-I165 HydrophobicContact CG2-CB 4.38Å; I142-I165 HydrophobicContact CG2-CD1 4.43Å; I142-I165 PolarHBondContact O-N 2.87Å; V144-I165 HydrophobicContact CG2-CD1 4.01Å; V144-I165 HydrophobicContact CG2-CG1 4.09Å; I165-V168 HydrophobicContact CG2-CG2 4Å; I165-L173 HydrophobicContact CB-CD1 4.45Å; I165-L173 HydrophobicContact CG2-CD1 3.88Å; I165-L194 HydrophobicContact CG2-CD2 4.03Å; I165-V196 HydrophobicContact CG1-CG1 4.25Å
166L87.4Confident90Very high20 Ų2057.3 Ų57.311%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-95.7-38.6-179.4-57.7178.2000111.6Y108 Q164 L173 V195 R197Y108-L166 HydrophobicContact CD1-CD1 3.79Å; Y108-L166 HydrophobicContact CE1-CD1 3.6Å; Q164-L166 HydrophobicContact CG-CD2 4.18Å; L166-L173 PolarHBondContact O-N 3.34Å; L166-V195 HydrophobicContact CB-CG1 4.5Å; L166-V195 WeakPolarHBondContact CB-O 2.99Å; L166-V195 HydrophobicContact CD1-CG1 4.42Å; L166-V195 PolarHBondContact N-O 3.05Å; L166-R197 HydrophobicContact CD1-CB 4.15Å; L166-R197 HydrophobicContact CD1-CG 4.21Å; L166-R197 HydrophobicContact CD2-CG 4.21Å; L166-R197 HydrophobicContact CG-CG 4.37Å
167S90.3Very high89.7Confident20 Ų2056.4 Ų56.414%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-151.3160176.470.70000112.6I171 L194 V195S167-I171 CarbonylContact C-O 3.58Å; S167-I171 WeakPolarHBondContact CA-O 3.33Å; S167-I171 VanDerWaalsContact CB-O 3.27Å; S167-I171 WeakPolarHBondContact CB-O 3.45Å; S167-L194 WeakPolarHBondContact O-CA 3.27Å; S167-V195 PolarHBondContact N-O 3.12Å; S167-V195 PolarHBondContact O-N 2.83Å; S167-V195 VanDerWaalsContact O-N 3.11Å; S167-V195 VanDerWaalsContact OG-CB 3.29Å; S167-V195 WeakPolarHBondContact OG-CB 3.11Å; S167-V195 WeakPolarHBondContact OG-CG2 3.3Å
168V92.8Very high89.4Confident1 Ų154.3 Ų54.31%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-134.2118.3178.9178.70000108.5I165 D170 I171 L173 T184 L185 A188 L192 H193 L194I165-V168 HydrophobicContact CG2-CG2 4Å; V168-D170 VanDerWaalsContact C-N 3.26Å; V168-D170 PolarHBondContact O-N 2.89Å; V168-I171 PolarHBondContact N-O 2.88Å; V168-I171 VanDerWaalsContact O-CB 3.31Å; V168-I171 WeakPolarHBondContact O-CB 3.43Å; V168-I171 PolarHBondContact O-N 2.88Å; V168-L173 HydrophobicContact CG2-CD1 3.56Å; V168-L173 HydrophobicContact CG2-CD2 4.47Å; V168-L173 HydrophobicContact CG2-CG 4.01Å; V168-T184 HydrophobicContact CB-CG2 3.92Å; V168-T184 HydrophobicContact CG1-CG2 4.21Å; V168-L185 HydrophobicContact CB-CD2 4.39Å; V168-L185 HydrophobicContact CG1-CD2 4.02Å; V168-L185 HydrophobicContact CG2-CD2 3.45Å; V168-L185 VanDerWaalsContact CG2-CD2 3.45Å; V168-L185 HydrophobicContact CG2-CG 4.02Å; V168-A188 HydrophobicContact CG1-CB 4.43Å; V168-L192 HydrophobicContact CG1-CD1 3.33Å; V168-L192 HydrophobicContact CG1-CG 4.15Å; V168-H193 CarbonylContact C-O 3.51Å; V168-H193 WeakPolarHBondContact CA-O 3.3Å; V168-L194 HydrophobicContact CB-CD2 4.38Å; V168-L194 HydrophobicContact CG1-CD2 4.38Å; V168-L194 HydrophobicContact CG2-CD2 3.69Å
169N90.7Very high89Confident52 Ų5254.8 Ų54.828%0.27828%0.281SS..THydrogen-bonded Turntrans46.550.1-179-68.7-11.2000112.3I171 A188 Q191 H193N169-I171 PolarHBondContact O-N 3.2Å; N169-I171 VanDerWaalsContact O-N 3.14Å; N169-A188 WeakPolarHBondContact ND2-CA 3.44Å; N169-A188 VanDerWaalsContact ND2-CB 3.27Å; N169-A188 WeakPolarHBondContact ND2-CB 3.43Å; N169-A188 PolarHBondContact ND2-O 3.12Å; N169-Q191 PolarHBondContact ND2-O 2.86Å; N169-H193 PolarHBondContact N-O 3.04Å; N169-H193 WeakPolarHBondContact OD1-CB 3.3Å; N169-H193 PolarHBondContact OD1-N 3.24Å
170D86.3Confident88.7Confident142 Ų14259 Ų5976%0.75930%0.3SS*.THydrogen-bonded Turntrans67.33.9-178.5-48.5-49.8000115.6V168V168-D170 VanDerWaalsContact C-N 3.26Å; V168-D170 PolarHBondContact O-N 2.89Å
171I88.7Confident88.6Confident86 Ų8652.2 Ų52.244%0.44128%0.275SS..EExtended strand (participates in β ladder)trans-91.8116.1171.8-58169.3000108.7S167 V168 N169 T184S167-I171 CarbonylContact C-O 3.58Å; S167-I171 WeakPolarHBondContact CA-O 3.33Å; S167-I171 VanDerWaalsContact CB-O 3.27Å; S167-I171 WeakPolarHBondContact CB-O 3.45Å; V168-I171 PolarHBondContact N-O 2.88Å; V168-I171 VanDerWaalsContact O-CB 3.31Å; V168-I171 WeakPolarHBondContact O-CB 3.43Å; V168-I171 PolarHBondContact O-N 2.88Å; N169-I171 PolarHBondContact O-N 3.2Å; N169-I171 VanDerWaalsContact O-N 3.14Å; I171-T184 HydrophobicContact CB-CG2 3.8Å; I171-T184 HydrophobicContact CD1-CG2 3.86Å; I171-T184 HydrophobicContact CG1-CG2 4.43Å; I171-T184 HydrophobicContact CG2-CG2 3.73Å
172S86.1Confident88.6Confident62 Ų6249.4 Ų49.443%0.43426%0.258SS..EExtended strand (participates in β ladder)trans-64136175.2-177.40000111.3E174S172-E174 WeakPolarHBondContact OG-CB 3.25Å; S172-E174 PolarHBondContact OG-N 2.8Å; S172-E174 VanDerWaalsContact OG-N 3.16Å
173L90.1Very high88.6Confident2 Ų250.1 Ų50.11%0.0126%0.255CS..  trans-103.816.4170.4-60.2-167000111.9I142 I165 L166 V168 V176 A181 T184I142-L173 HydrophobicContact CB-CD1 4.47Å; I142-L173 HydrophobicContact CG1-CB 4.17Å; I142-L173 HydrophobicContact CG1-CD1 4.35Å; I142-L173 HydrophobicContact CG2-CD1 4.38Å; I165-L173 HydrophobicContact CB-CD1 4.45Å; I165-L173 HydrophobicContact CG2-CD1 3.88Å; L166-L173 PolarHBondContact O-N 3.34Å; V168-L173 HydrophobicContact CG2-CD1 3.56Å; V168-L173 HydrophobicContact CG2-CD2 4.47Å; V168-L173 HydrophobicContact CG2-CG 4.01Å; L173-V176 HydrophobicContact CB-CG2 4.09Å; L173-V176 HydrophobicContact CD2-CG2 4.31Å; L173-V176 WeakPolarHBondContact O-CG2 2.96Å; L173-A181 HydrophobicContact CD1-CB 4.08Å; L173-A181 HydrophobicContact CD2-CB 4.37Å; L173-T184 HydrophobicContact CD2-CG2 3.99Å
174E84.8Confident88.4Confident118 Ų11851 Ų5155%0.55126%0.261SS*.THydrogen-bonded Turntrans-71.7131.5171.1-65.4-176.1162.700110.2S172 V176S172-E174 WeakPolarHBondContact OG-CB 3.25Å; S172-E174 PolarHBondContact OG-N 2.8Å; S172-E174 VanDerWaalsContact OG-N 3.16Å; E174-V176 PolarHBondContact O-N 2.77Å
175H81.6Confident88.3Confident138 Ų13850.4 Ų50.464%0.63926%0.258SS*.THydrogen-bonded Turntrans58.329.4177.1-52.6-68.9000115.4I131I131-H175 VanDerWaalsContact CG2-C 3.42Å; I131-H175 VanDerWaalsContact CG2-CA 3.5Å; I131-H175 HydrophobicContact CG2-CB 4.13Å; I131-H175 WeakPolarHBondContact CG2-O 3.47Å
176V84.4Confident87.8Confident22 Ų2254.4 Ų54.413%0.13327%0.273CS..  trans-94.8157.4174.3-55.90000111.3G130 I131 I142 L173 E174 E180 A181G130-V176 CarbonylContact C-O 3.52Å; G130-V176 VanDerWaalsContact CA-O 3.25Å; G130-V176 WeakPolarHBondContact CA-O 3.33Å; I131-V176 PolarHBondContact N-O 3.01Å; I142-V176 HydrophobicContact CD1-CG2 4.25Å; I142-V176 HydrophobicContact CG1-CG2 4.14Å; L173-V176 HydrophobicContact CB-CG2 4.09Å; L173-V176 HydrophobicContact CD2-CG2 4.31Å; L173-V176 WeakPolarHBondContact O-CG2 2.96Å; E174-V176 PolarHBondContact O-N 2.77Å; V176-E180 HydrophobicContact CB-CB 4.04Å; V176-A181 HydrophobicContact CG2-CB 3.94Å
177T84.9Confident87.6Confident34 Ų3459.7 Ų59.721%0.20930%0.297CS..  trans-68.8156.6165.960.90000110.5I131 D132 M179 E180 A181I131-T177 HydrophobicContact CD1-CG2 3.93Å; I131-T177 HydrophobicContact CG1-CG2 3.8Å; D132-T177 HydrophobicContact CB-CG2 4.28Å; D132-T177 VanDerWaalsContact OD1-CA 3.27Å; D132-T177 WeakPolarHBondContact OD1-CA 3.43Å; T177-M179 PolarHBondContact O-N 2.99Å; T177-E180 WeakPolarHBondContact CB-OE2 3.26Å; T177-E180 PolarHBondContact N-OE2 2.67Å; T177-E180 PolarHBondContact O-N 2.98Å; T177-E180 VanDerWaalsContact O-N 3.15Å; T177-E180 WeakPolarHBondContact OG1-CB 3.4Å; T177-E180 WeakPolarHBondContact OG1-CG 3.07Å; T177-E180 PolarHBondContact OG1-N 3.4Å; T177-E180 VanDerWaalsContact OG1-N 3.14Å; T177-E180 PolarHBondContact OG1-OE2 2.83Å; T177-A181 PolarHBondContact O-N 2.87Å
178N86.6Confident87.1Confident3 Ų359.5 Ų59.52%0.01630%0.297CS..Hα-helixtrans-55.1-41.1173.9-173.3-93.8000111.4G129 D132 A181 V182 S221G129-N178 VanDerWaalsContact O-CB 3.26Å; G129-N178 WeakPolarHBondContact O-CB 3.29Å; G129-N178 PolarHBondContact O-ND2 3.47Å; D132-N178 PolarHBondContact OD1-N 2.81Å; D132-N178 PolarHBondContact OD2-N 3.25Å; N178-A181 PolarHBondContact O-N 2.87Å; N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.41Å; N178-V182 PolarHBondContact O-N 3.25Å; N178-S221 WeakPolarHBondContact OD1-CB 3.39Å; N178-S221 PolarHBondContact OD1-OG 3Å
179M87.3Confident86.7Confident110 Ų11061 Ų6154%0.54231%0.312SS..Hα-helixtrans-64.1-42.2177.4-172.367.97200112.5T177 V182 K183T177-M179 PolarHBondContact O-N 2.99Å; M179-V182 PolarHBondContact O-N 3.03Å; M179-K183 WeakPolarHBondContact O-CB 3.31Å; M179-K183 PolarHBondContact O-N 3.48Å
180E87.8Confident86.4Confident95 Ų9562.1 Ų62.144%0.44432%0.318SS..Hα-helixtrans-63.8-42.6175.6-76.3163.2150.300111.5V176 T177 V182 K183 T184V176-E180 HydrophobicContact CB-CB 4.04Å; T177-E180 WeakPolarHBondContact CB-OE2 3.26Å; T177-E180 PolarHBondContact N-OE2 2.67Å; T177-E180 PolarHBondContact O-N 2.98Å; T177-E180 VanDerWaalsContact O-N 3.15Å; T177-E180 WeakPolarHBondContact OG1-CB 3.4Å; T177-E180 WeakPolarHBondContact OG1-CG 3.07Å; T177-E180 PolarHBondContact OG1-N 3.4Å; T177-E180 VanDerWaalsContact OG1-N 3.14Å; T177-E180 PolarHBondContact OG1-OE2 2.83Å; E180-V182 PolarHBondContact O-N 3.26Å; E180-K183 PolarHBondContact O-N 3.46Å; E180-T184 PolarHBondContact O-N 2.9Å; E180-T184 PolarHBondContact O-OG1 3.24Å
181A91.7Very high86.5Confident0 Ų059.6 Ų59.60%030%0.302CS..Hα-helixtrans-58.6-47174.500000112I127 I142 L173 V176 T177 N178 K183 T184 L185I127-A181 HydrophobicContact CD1-CB 3.97Å; I142-A181 HydrophobicContact CD1-CB 3.59Å; I142-A181 HydrophobicContact CG1-CB 3.78Å; I142-A181 HydrophobicContact CG2-CB 4.26Å; L173-A181 HydrophobicContact CD1-CB 4.08Å; L173-A181 HydrophobicContact CD2-CB 4.37Å; V176-A181 HydrophobicContact CG2-CB 3.94Å; T177-A181 PolarHBondContact O-N 2.87Å; N178-A181 PolarHBondContact O-N 2.87Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.9Å; A181-T184 PolarHBondContact O-N 3.14Å; A181-L185 WeakPolarHBondContact O-CD1 3.38Å; A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.25Å; A181-L185 PolarHBondContact O-N 3.49Å
182V89.7Confident86.6Confident7 Ų755.5 Ų55.54%0.04228%0.281CS..Hα-helixtrans-59.9-44.6175.9172.30000111I127 N178 M179 E180 L185 R186I127-V182 HydrophobicContact CD1-CG2 3.82Å; I127-V182 HydrophobicContact CG1-CG2 4.35Å; N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.41Å; N178-V182 PolarHBondContact O-N 3.25Å; M179-V182 PolarHBondContact O-N 3.03Å; E180-V182 PolarHBondContact O-N 3.26Å; V182-L185 PolarHBondContact O-N 2.74Å; V182-R186 HydrophobicContact CG1-CG 4.43Å; V182-R186 WeakPolarHBondContact O-CG 3.47Å; V182-R186 PolarHBondContact O-N 2.97Å
183K88.8Confident86.9Confident125 Ų12554.7 Ų54.754%0.54327%0.271SS..Hα-helixtrans-61.1-46.4178.5-175.4179.8176.7-176.50111.6M179 E180 A181 L185 R186 Q187M179-K183 WeakPolarHBondContact O-CB 3.31Å; M179-K183 PolarHBondContact O-N 3.48Å; E180-K183 PolarHBondContact O-N 3.46Å; A181-K183 VanDerWaalsContact C-N 3.34Å; A181-K183 PolarHBondContact O-N 2.9Å; K183-L185 PolarHBondContact O-N 3.15Å; K183-R186 PolarHBondContact O-N 2.95Å; K183-Q187 VanDerWaalsContact CE-NE2 3.33Å; K183-Q187 VanDerWaalsContact O-CG 3.28Å; K183-Q187 WeakPolarHBondContact O-CG 3.36Å; K183-Q187 PolarHBondContact O-N 3.16Å
184T89.4Confident87.1Confident20 Ų2054.6 Ų54.612%0.12327%0.27CS..Hα-helixtrans-60-45.7177.7-58.90000111.4V168 I171 L173 E180 A181 R186 Q187 A188V168-T184 HydrophobicContact CB-CG2 3.92Å; V168-T184 HydrophobicContact CG1-CG2 4.21Å; I171-T184 HydrophobicContact CB-CG2 3.8Å; I171-T184 HydrophobicContact CD1-CG2 3.86Å; I171-T184 HydrophobicContact CG1-CG2 4.43Å; I171-T184 HydrophobicContact CG2-CG2 3.73Å; L173-T184 HydrophobicContact CD2-CG2 3.99Å; E180-T184 PolarHBondContact O-N 2.9Å; E180-T184 PolarHBondContact O-OG1 3.24Å; A181-T184 PolarHBondContact O-N 3.14Å; T184-R186 VanDerWaalsContact C-N 3.33Å; T184-R186 PolarHBondContact O-N 3.47Å; T184-Q187 PolarHBondContact O-N 3.4Å; T184-A188 PolarHBondContact O-N 3.05Å
185L89.7Confident87.3Confident1 Ų150.5 Ų50.51%0.00525%0.253CS..Hα-helixtrans-63-38177.7-70.3160.6000112.2F125 I127 V168 A181 V182 K183 Q187 A188 L192 L194 V224F125-L185 HydrophobicContact CE2-CD2 4.47Å; F125-L185 HydrophobicContact CZ-CD2 4Å; I127-L185 HydrophobicContact CD1-CD1 3.48Å; I127-L185 VanDerWaalsContact CD1-CD1 3.48Å; I127-L185 HydrophobicContact CG1-CD1 4.5Å; I127-L185 HydrophobicContact CG2-CD1 4.16Å; V168-L185 HydrophobicContact CB-CD2 4.39Å; V168-L185 HydrophobicContact CG1-CD2 4.02Å; V168-L185 HydrophobicContact CG2-CD2 3.45Å; V168-L185 VanDerWaalsContact CG2-CD2 3.45Å; V168-L185 HydrophobicContact CG2-CG 4.02Å; A181-L185 WeakPolarHBondContact O-CD1 3.38Å; A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.25Å; A181-L185 PolarHBondContact O-N 3.49Å; V182-L185 PolarHBondContact O-N 2.74Å; K183-L185 PolarHBondContact O-N 3.15Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; L185-A188 WeakPolarHBondContact O-CB 3.45Å; L185-A188 PolarHBondContact O-N 2.87Å; L185-L192 HydrophobicContact CD2-CD1 4.05Å; L185-L192 HydrophobicContact CD2-CD2 3.85Å; L185-L192 HydrophobicContact CD2-CG 4.41Å; L185-L194 HydrophobicContact CD2-CD2 4.11Å; L185-V224 HydrophobicContact CB-CB 4.24Å; L185-V224 HydrophobicContact CB-CG1 3.53Å; L185-V224 HydrophobicContact CB-CG2 3.62Å; L185-V224 HydrophobicContact CD1-CG2 3.85Å; L185-V224 HydrophobicContact CG-CG2 4.3Å; L185-V224 WeakPolarHBondContact O-CG1 3.31Å
186R84.8Confident87.8Confident84 Ų8444 Ų4432%0.31722%0.223SC..Hα-helixtrans-70.8-29.9178.7-74.1179.6-175.4-107.85.2112.7V182 K183 T184 A188 E223 V224 M225V182-R186 HydrophobicContact CG1-CG 4.43Å; V182-R186 WeakPolarHBondContact O-CG 3.47Å; V182-R186 PolarHBondContact O-N 2.97Å; K183-R186 PolarHBondContact O-N 2.95Å; T184-R186 VanDerWaalsContact C-N 3.33Å; T184-R186 PolarHBondContact O-N 3.47Å; R186-A188 VanDerWaalsContact C-N 3.29Å; R186-A188 PolarHBondContact O-N 2.91Å; R186-E223 PolarHBondContact NH2-O 2.9Å; R186-V224 HydrophobicContact CB-CG1 4.3Å; R186-V224 HydrophobicContact CG-CB 4.47Å; R186-V224 HydrophobicContact CG-CG1 3.69Å; R186-M225 PolarHBondContact NH1-O 2.87Å
187Q83.9Confident87.9Confident131 Ų13145.9 Ų45.961%0.61223%0.227SC*.Hα-helixtrans-81-6.5-179.4-71.8177.9-16.500113.8K183 T184 L185 G189K183-Q187 VanDerWaalsContact CE-NE2 3.33Å; K183-Q187 VanDerWaalsContact O-CG 3.28Å; K183-Q187 WeakPolarHBondContact O-CG 3.36Å; K183-Q187 PolarHBondContact O-N 3.16Å; T184-Q187 PolarHBondContact O-N 3.4Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; Q187-G189 PolarHBondContact O-N 3.26Å
188A79.7Confident88Confident17 Ų1745.3 Ų45.314%0.1422%0.222CC..THydrogen-bonded Turntrans-68.1-15.2-177.200000115.2V168 N169 T184 L185 R186 Q191 L192V168-A188 HydrophobicContact CG1-CB 4.43Å; N169-A188 WeakPolarHBondContact ND2-CA 3.44Å; N169-A188 VanDerWaalsContact ND2-CB 3.27Å; N169-A188 WeakPolarHBondContact ND2-CB 3.43Å; N169-A188 PolarHBondContact ND2-O 3.12Å; T184-A188 PolarHBondContact O-N 3.05Å; L185-A188 WeakPolarHBondContact O-CB 3.45Å; L185-A188 PolarHBondContact O-N 2.87Å; R186-A188 VanDerWaalsContact C-N 3.29Å; R186-A188 PolarHBondContact O-N 2.91Å; A188-Q191 VanDerWaalsContact O-O 3.04Å; A188-L192 HydrophobicContact CB-CD1 3.18Å
189G82.9Confident87.5Confident31 Ų3150.7 Ų50.732%0.3225%0.245SC..THydrogen-bonded Turntrans72.4-138.5-176.700000112.5F123 Q187F123-G189 VanDerWaalsContact CZ-O 3.31Å; F123-G189 WeakPolarHBondContact CZ-O 3.42Å; Q187-G189 PolarHBondContact O-N 3.26Å
190N86Confident86.9Confident76 Ų7649 Ų4941%0.40624%0.241SC..THydrogen-bonded Turntrans-86.4-5.2-174.4-67.3-25.3000114.5R115R115-N190 PolarHBondContact N-O 3.28Å; R115-N190 PolarHBondContact NE-OD1 2.85Å; R115-N190 PolarHBondContact NH2-OD1 3.33Å
191Q87.6Confident85.3Confident89 Ų8946.3 Ų46.342%0.41624%0.239SC..EExtended strand (participates in β ladder)trans-134.1130.4-180-175.7176.1-57.400110.4I112 L113 K114 N169 A188I112-Q191 HydrophobicContact CG2-CG 3.77Å; L113-Q191 WeakPolarHBondContact O-CA 3.5Å; K114-Q191 HydrophobicContact CG-CG 4.25Å; N169-Q191 PolarHBondContact ND2-O 2.86Å; A188-Q191 VanDerWaalsContact O-O 3.04Å
192L91.8Very high82.9Confident0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-118.1110.7178.7-158.870.8000108.9I112 L113 F123 F125 V168 L185 A188 L194I112-L192 CarbonylContact C-O 3.54Å; I112-L192 WeakPolarHBondContact CA-O 3.47Å; L113-L192 HydrophobicContact CB-CB 4.27Å; L113-L192 PolarHBondContact N-O 2.82Å; L113-L192 PolarHBondContact O-N 3.36Å; F123-L192 HydrophobicContact CB-CD2 4.3Å; F123-L192 HydrophobicContact CD1-CB 3.95Å; F123-L192 HydrophobicContact CD1-CD2 4.32Å; F123-L192 HydrophobicContact CD2-CB 4.29Å; F123-L192 HydrophobicContact CD2-CD1 4.46Å; F123-L192 HydrophobicContact CD2-CD2 3.84Å; F123-L192 HydrophobicContact CD2-CG 4.47Å; F123-L192 HydrophobicContact CE1-CB 3.61Å; F123-L192 HydrophobicContact CE2-CB 3.98Å; F123-L192 HydrophobicContact CE2-CD1 4.1Å; F123-L192 HydrophobicContact CE2-CD2 4.23Å; F123-L192 HydrophobicContact CE2-CG 4.37Å; F123-L192 HydrophobicContact CG-CB 4.28Å; F123-L192 HydrophobicContact CG-CD2 3.89Å; F123-L192 HydrophobicContact CZ-CB 3.64Å; F123-L192 HydrophobicContact CZ-CD1 4.45Å; F123-L192 HydrophobicContact CZ-CG 4.49Å; F125-L192 HydrophobicContact CE1-CD2 3.76Å; F125-L192 HydrophobicContact CZ-CD2 3.71Å; V168-L192 HydrophobicContact CG1-CD1 3.33Å; V168-L192 HydrophobicContact CG1-CG 4.15Å; L185-L192 HydrophobicContact CD2-CD1 4.05Å; L185-L192 HydrophobicContact CD2-CD2 3.85Å; L185-L192 HydrophobicContact CD2-CG 4.41Å; A188-L192 HydrophobicContact CB-CD1 3.18Å; L192-L194 HydrophobicContact CD1-CD2 4.43Å; L192-L194 HydrophobicContact CD2-CD1 3.94Å; L192-L194 HydrophobicContact CD2-CD2 3.61Å; L192-L194 HydrophobicContact CD2-CG 3.85Å; L192-L194 HydrophobicContact CG-CD2 3.62Å; L192-L194 HydrophobicContact CG-CG 3.9Å
193H91.6Very high80.4Confident46 Ų4659.3 Ų59.321%0.21331%0.312CS..EExtended strand (participates in β ladder)trans-91.7108.4168-175.7-137.2000108.4D110 V168 N169D110-H193 IonicContact OD1-CE1 3.89Å; D110-H193 IonicContact OD1-NE2 2.74Å; V168-H193 CarbonylContact C-O 3.51Å; V168-H193 WeakPolarHBondContact CA-O 3.3Å; N169-H193 PolarHBondContact N-O 3.04Å; N169-H193 WeakPolarHBondContact OD1-CB 3.3Å; N169-H193 PolarHBondContact OD1-N 3.24Å
194L95Very high77.8Confident0 Ų057.9 Ų57.90%033%0.333CS..EExtended strand (participates in β ladder)trans-104130.7179.4-60.6179.1000109.6D110 I111 L113 F125 L159 I165 S167 V168 L185 L192 V196D110-L194 WeakPolarHBondContact CA-O 3.42Å; I111-L194 HydrophobicContact CB-CB 4.29Å; I111-L194 PolarHBondContact N-O 3.21Å; I111-L194 PolarHBondContact O-N 3.33Å; L113-L194 HydrophobicContact CD1-CD1 4.15Å; F125-L194 HydrophobicContact CE1-CD1 4.38Å; F125-L194 HydrophobicContact CZ-CD1 4.15Å; L159-L194 HydrophobicContact CD1-CD1 4.15Å; L159-L194 HydrophobicContact CD2-CD1 4.32Å; I165-L194 HydrophobicContact CG2-CD2 4.03Å; S167-L194 WeakPolarHBondContact O-CA 3.27Å; V168-L194 HydrophobicContact CB-CD2 4.38Å; V168-L194 HydrophobicContact CG1-CD2 4.38Å; V168-L194 HydrophobicContact CG2-CD2 3.69Å; L185-L194 HydrophobicContact CD2-CD2 4.11Å; L192-L194 HydrophobicContact CD1-CD2 4.43Å; L192-L194 HydrophobicContact CD2-CD1 3.94Å; L192-L194 HydrophobicContact CD2-CD2 3.61Å; L192-L194 HydrophobicContact CD2-CG 3.85Å; L192-L194 HydrophobicContact CG-CD2 3.62Å; L192-L194 HydrophobicContact CG-CG 3.9Å; L194-V196 HydrophobicContact CB-CG1 4.05Å
195V88.5Confident75.4Confident32 Ų3262.1 Ų62.119%0.19436%0.358CS..EExtended strand (participates in β ladder)trans-98.9118.8160.3-175.80000106.9L166 S167L166-V195 HydrophobicContact CB-CG1 4.5Å; L166-V195 WeakPolarHBondContact CB-O 2.99Å; L166-V195 HydrophobicContact CD1-CG1 4.42Å; L166-V195 PolarHBondContact N-O 3.05Å; S167-V195 PolarHBondContact N-O 3.12Å; S167-V195 PolarHBondContact O-N 2.83Å; S167-V195 VanDerWaalsContact O-N 3.11Å; S167-V195 VanDerWaalsContact OG-CB 3.29Å; S167-V195 WeakPolarHBondContact OG-CB 3.11Å; S167-V195 WeakPolarHBondContact OG-CG2 3.3Å
196V92Very high72.8Confident0 Ų066.2 Ų66.20%039%0.392CS..EExtended strand (participates in β ladder)trans-122.2156-180-53.10000111.4Y108 L109 I111 L159 D163 Q164 I165 L194Y108-V196 CarbonylContact C-O 3.54Å; Y108-V196 WeakPolarHBondContact CA-O 3.15Å; L109-V196 HydrophobicContact CB-CG2 3.77Å; L109-V196 HydrophobicContact CD1-CG2 4Å; L109-V196 PolarHBondContact N-O 3.29Å; L109-V196 PolarHBondContact O-N 2.78Å; I111-V196 HydrophobicContact CD1-CG1 4.46Å; I111-V196 HydrophobicContact CD1-CG2 3.63Å; I111-V196 HydrophobicContact CG1-CG2 4.31Å; L159-V196 HydrophobicContact CD1-CG1 3.97Å; D163-V196 HydrophobicContact CB-CB 4.39Å; Q164-V196 CarbonylContact O-C 3.52Å; Q164-V196 WeakPolarHBondContact O-CA 3.29Å; Q164-V196 WeakPolarHBondContact O-CB 2.94Å; I165-V196 HydrophobicContact CG1-CG1 4.25Å; L194-V196 HydrophobicContact CB-CG1 4.05Å
197R86.4Confident70.4Confident62 Ų6268 Ų6823%0.23441%0.413CS..EExtended strand (participates in β ladder)trans-118141.9164.167.8174.6-173.3-170.40.7111.2W106 E107 Y108 Q164 L166W106-R197 HydrophobicContact CE3-CB 4.03Å; W106-R197 HydrophobicContact CE3-CG 3.76Å; W106-R197 HydrophobicContact CZ3-CG 3.99Å; E107-R197 CarbonylContact O-C 3.56Å; E107-R197 VanDerWaalsContact O-CA 3.26Å; E107-R197 WeakPolarHBondContact O-CA 3.24Å; Y108-R197 HydrophobicContact CD1-CB 4Å; Y108-R197 HydrophobicContact CE1-CB 4Å; Y108-R197 HydrophobicContact CG-CB 4.43Å; Q164-R197 HydrophobicContact CB-CG 3.86Å; Q164-R197 PolarHBondContact N-O 3.49Å; Q164-R197 PolarHBondContact O-N 2.9Å; L166-R197 HydrophobicContact CD1-CB 4.15Å; L166-R197 HydrophobicContact CD1-CG 4.21Å; L166-R197 HydrophobicContact CD2-CG 4.21Å; L166-R197 HydrophobicContact CG-CG 4.37Å
198R86.6Confident68.2Low23 Ų2367.2 Ų67.29%0.08742%0.419CS..EExtended strand (participates in β ladder)trans-127.9138.5179.1-179-179.5-64.9145.84.2109.7W106 E107 L109 K158 R160 D163 V200W106-R198 CarbonylContact C-O 3.6Å; W106-R198 WeakPolarHBondContact CA-O 3.33Å; W106-R198 VanDerWaalsContact CE3-C 3.49Å; E107-R198 PolarHBondContact N-O 3.04Å; E107-R198 PolarHBondContact O-N 2.75Å; L109-R198 HydrophobicContact CD1-CB 3.91Å; K158-R198 PolarHBondContact O-NH2 2.7Å; R160-R198 VanDerWaalsContact CD-CZ 3.42Å; R160-R198 VanDerWaalsContact CG-NH2 3.3Å; D163-R198 VanDerWaalsContact CG-NH2 3.3Å; D163-R198 IonicContact OD1-CZ 3.7Å; D163-R198 VanDerWaalsContact OD1-CZ 3.31Å; D163-R198 IonicContact OD1-NE 2.74Å; D163-R198 PolarHBondContact OD1-NE 3.47Å; D163-R198 IonicContact OD1-NH2 3.31Å; D163-R198 PolarHBondContact OD1-NH2 3.1Å; D163-R198 VanDerWaalsContact OD1-NH2 3.09Å; D163-R198 IonicContact OD2-CZ 2.66Å; D163-R198 IonicContact OD2-NE 3.17Å; D163-R198 IonicContact OD2-NH2 3.67Å; D163-R198 PolarHBondContact OD2-NH2 3.42Å; R198-V200 PolarHBondContact O-N 2.98Å
199F76.7Confident65.8Low115 Ų11572 Ų7250%0.50444%0.442SS..EExtended strand (participates in β ladder)trans-79.9118.4175-170.5-106.3000110.6W106W106-F199 HydrophobicContact CD2-CB 4.5Å; W106-F199 HydrophobicContact CD2-CD2 4.13Å; W106-F199 AromaticContact CE2-CD2 3.8Å; W106-F199 HydrophobicContact CE3-CB 4.1Å; W106-F199 HydrophobicContact CH2-CB 4.07Å; W106-F199 HydrophobicContact CH2-CD2 4.43Å; W106-F199 HydrophobicContact CZ2-CB 4.45Å; W106-F199 AromaticContact CZ2-CD2 3.97Å; W106-F199 HydrophobicContact CZ2-CD2 3.97Å; W106-F199 HydrophobicContact CZ3-CB 3.88Å
200V73.9Confident63.8Low76 Ų7681.4 Ų81.446%0.46147%0.468SS..EExtended strand (participates in β ladder)trans-10780.7177.8-172.60000108.5E105 E107 R198E105-V200 PolarHBondContact O-N 3.24Å; E107-V200 HydrophobicContact CB-CG2 3.5Å; R198-V200 PolarHBondContact O-N 2.98Å
201G54.9Low61.3Low38 Ų3881.8 Ų81.839%0.39247%0.473SS..  trans-105.1122.8174.700000111.4T203G201-T203 PolarHBondContact O-N 3.5Å; G201-T203 VanDerWaalsContact O-N 3.15Å
202N40.7Very low58.8Low166 Ų16683.8 Ų83.889%0.88849%0.491SS*.  trans-82.585.5-172.2-157.686.7000112.9
203T38.5Very low56Low114 Ų11488.7 Ų88.770%0.69952%0.521SS*.  trans-147.2113.5157.947.30000111.5G201 V205G201-T203 PolarHBondContact O-N 3.5Å; G201-T203 VanDerWaalsContact O-N 3.15Å; T203-V205 PolarHBondContact O-N 3.48Å
204G34.1Very low53.2Low95 Ų9596.1 Ų96.198%0.97956%0.556SS**  trans-69.258164.600000112.5
205V39.1Very low50.5Low109 Ų109103.7 Ų103.766%0.66159%0.591SS**  trans-105.5113.8164.4-178.70000104.7T203 T207T203-V205 PolarHBondContact O-N 3.48Å; V205-T207 PolarHBondContact O-N 3.38Å
206A34.6Very low47.9Very low86 Ų86106.5 Ų106.571%0.71161%0.612SS**  trans-37.2127.8164.900000108.2
207T34.5Very low44.9Very low122 Ų122107.2 Ų107.275%0.74862%0.616SS**  trans-8.1112.3168.847.70000111.1V205 D209V205-T207 PolarHBondContact O-N 3.38Å; T207-D209 PolarHBondContact O-N 3.28Å
208P36.5Very low42.3Very low115 Ų115105.8 Ų105.875%0.74762%0.616SS**  trans-58.8112.1163.127.9-28.3000103.1R210P208-R210 PolarHBondContact O-N 3.02Å
209D30.5Very low40Very low116 Ų116109.1 Ų109.162%0.6263%0.629SS**  trans-25.6106.2170.3-173.419.7000108.1T207 T211T207-D209 PolarHBondContact O-N 3.28Å; D209-T211 PolarHBondContact O-N 3.46Å; D209-T211 PolarHBondContact O-OG1 3.5Å; D209-T211 VanDerWaalsContact OD1-CG2 3.31Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.33Å; D209-T211 WeakPolarHBondContact OD2-CG2 3.22Å; D209-T211 PolarHBondContact OD2-OG1 3.48Å
210R41.4Very low37.9Very low230 Ų230108 Ų10887%0.86862%0.622SS**  trans-76.550178.9-161.4177.7167.4169.8-2.7107.6P208P208-R210 PolarHBondContact O-N 3.02Å
211T32.2Very low36.6Very low83 Ų83104.9 Ų104.951%0.50960%0.603SS.*  trans-85126.6158.148.50000105.5D209D209-T211 PolarHBondContact O-N 3.46Å; D209-T211 PolarHBondContact O-OG1 3.5Å; D209-T211 VanDerWaalsContact OD1-CG2 3.31Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.33Å; D209-T211 WeakPolarHBondContact OD2-CG2 3.22Å; D209-T211 PolarHBondContact OD2-OG1 3.48Å
212V35.6Very low36.2Very low131 Ų131103.9 Ų103.979%0.79459%0.589SS**SBendtrans75.993.6174.2-158.90000112.3
213V33.6Very low36.4Very low104 Ų10497.9 Ų97.963%0.6356%0.556SS**  -157.8104.767.5177.60000108.7H215V213-H215 WeakPolarHBondContact CG1-CD2 3.31Å; V213-H215 PolarHBondContact O-N 3.26Å
214Q31.6Very low36.9Very low202 Ų20292.9 Ų92.994%0.94453%0.526SS*.  trans-90.496.2168.5-82.3178.6-26.900108.8
215H38.4Very low37.2Very low159 Ų15989.7 Ų89.774%0.73649%0.485SS*.  trans-111.8119.5163.4-76.2-59.3000109V213V213-H215 WeakPolarHBondContact CG1-CD2 3.31Å; V213-H215 PolarHBondContact O-N 3.26Å
216S33.2Very low37.2Very low90 Ų9086.1 Ų86.163%0.62947%0.465SS*.SBendtrans78.3139.1153-490000117.5S218S216-S218 PolarHBondContact O-N 2.74Å
217P29.9Very low37.2Very low15 Ų1588.9 Ų88.910%0.09747%0.468CS..  trans-85.7117.1-14926-15000111R243 I320P217-R243 HydrophobicContact CB-CB 4.28Å; P217-R243 HydrophobicContact CB-CG 4.26Å; P217-R243 VanDerWaalsContact CD-NH1 3.3Å; P217-R243 HydrophobicContact CG-CB 4.05Å; P217-R243 HydrophobicContact CG-CG 3.67Å; P217-R243 VanDerWaalsContact CG-NH1 3.34Å; P217-I320 HydrophobicContact CB-CB 4.49Å; P217-I320 HydrophobicContact CB-CD1 3.73Å; P217-I320 HydrophobicContact CB-CG1 3.86Å; P217-I320 HydrophobicContact CB-CG2 3.87Å; P217-I320 HydrophobicContact CG-CD1 4.18Å; P217-I320 HydrophobicContact CG-CG1 4.37Å
218S32.5Very low37.7Very low33 Ų3390 Ų9023%0.23147%0.468CS..  trans-105.6110.7176.8-1650000113.9N133 S216 R220 Q241N133-S218 PolarHBondContact ND2-OG 3.07Å; N133-S218 WeakPolarHBondContact OD1-CA 3.47Å; N133-S218 VanDerWaalsContact OD1-CB 3.25Å; N133-S218 WeakPolarHBondContact OD1-CB 3.21Å; N133-S218 PolarHBondContact OD1-OG 2.97Å; S216-S218 PolarHBondContact O-N 2.74Å; S218-R220 PolarHBondContact O-N 3.46Å; S218-R220 VanDerWaalsContact O-N 3.1Å; S218-Q241 VanDerWaalsContact O-CD 3.28Å; S218-Q241 PolarHBondContact O-NE2 3.02Å; S218-Q241 PolarHBondContact O-OE1 3.02Å
219Y37.3Very low37.8Very low92 Ų9293.3 Ų93.336%0.36147%0.474SS..  trans-51.392.1174-61.2-99.8000114.2N133N133-Y219 HydrophobicContact CB-CD2 4.34Å; N133-Y219 WeakPolarHBondContact ND2-CA 2.92Å; N133-Y219 PolarHBondContact ND2-N 3.28Å; N133-Y219 PolarHBondContact ND2-O 3.39Å; N133-Y219 PolarHBondContact OD1-N 3.02Å
220R34Very low38.3Very low93 Ų9394 Ų9435%0.35148%0.478SS..  trans-69.1141.8165.4-76.9-179.8179178.72.6110.2A128 S218 E239 R287A128-R220 HydrophobicContact CB-CG 4.37Å; S218-R220 PolarHBondContact O-N 3.46Å; S218-R220 VanDerWaalsContact O-N 3.1Å; R220-E239 HydrophobicContact CB-CB 4.18Å; R220-E239 HydrophobicContact CB-CG 4.18Å; R220-E239 VanDerWaalsContact CD-OE1 3.29Å; R220-E239 WeakPolarHBondContact CD-OE1 3.36Å; R220-E239 WeakPolarHBondContact CD-OE2 3.16Å; R220-E239 IonicContact CZ-OE1 3.85Å; R220-E239 IonicContact CZ-OE2 2.71Å; R220-E239 IonicContact NE-OE1 2.75Å; R220-E239 IonicContact NE-OE2 3.36Å; R220-E239 VanDerWaalsContact NH1-CD 3.28Å; R220-E239 IonicContact NH1-OE1 2.72Å; R220-E239 PolarHBondContact NH1-OE1 3.36Å; R220-E239 IonicContact NH1-OE2 3.19Å; R220-E239 PolarHBondContact NH1-OE2 3.01Å; R220-R287 PolarHBondContact O-NH1 3.46Å; R220-R287 PolarHBondContact O-NH2 3.35Å
221S45.2Very low38.1Very low9 Ų987.7 Ų87.76%0.06347%0.469CS..  trans-118.3158-179.6-95.70000116N178 R287N178-S221 WeakPolarHBondContact OD1-CB 3.39Å; N178-S221 PolarHBondContact OD1-OG 3Å; S221-R287 PolarHBondContact OG-NH1 2.58Å
222P46.1Very low38.6Very low17 Ų1786 Ų8611%0.1147%0.468CS..  trans-66.8151.8-170.5-21.636.5000113.9Y238 R287P222-Y238 HydrophobicContact CB-CD2 4.36Å; P222-Y238 HydrophobicContact CB-CG 4.13Å; P222-Y238 HydrophobicContact CG-CD2 3.97Å; P222-Y238 HydrophobicContact CG-CG 4.24Å; P222-R287 HydrophobicContact CG-CG 4.38Å
223E45Very low39.4Very low41 Ų4186 Ų8619%0.19247%0.474CS..  trans-42.6136.4172.1-64.8177.6159.700113.4R186 M225 W237R186-E223 PolarHBondContact NH2-O 2.9Å; E223-M225 PolarHBondContact O-N 3.32Å; E223-W237 WeakPolarHBondContact CG-O 3.35Å; E223-W237 PolarHBondContact OE2-N 3.23Å; E223-W237 VanDerWaalsContact OE2-N 3.12Å
224V49.4Very low40.3Very low9 Ų984.7 Ų84.76%0.05547%0.466CS..  trans-73.892.3177.8-174.30000109.2G122 L185 R186G122-V224 WeakPolarHBondContact CA-O 3.45Å; L185-V224 HydrophobicContact CB-CB 4.24Å; L185-V224 HydrophobicContact CB-CG1 3.53Å; L185-V224 HydrophobicContact CB-CG2 3.62Å; L185-V224 HydrophobicContact CD1-CG2 3.85Å; L185-V224 HydrophobicContact CG-CG2 4.3Å; L185-V224 WeakPolarHBondContact O-CG1 3.31Å; R186-V224 HydrophobicContact CB-CG1 4.3Å; R186-V224 HydrophobicContact CG-CB 4.47Å; R186-V224 HydrophobicContact CG-CG1 3.69Å
225M41.5Very low42Very low28 Ų2877.8 Ų77.814%0.13844%0.439CS..  trans-113.3127172.2-67.2-177.6117.500110.1R186 E223 I236R186-M225 PolarHBondContact NH1-O 2.87Å; E223-M225 PolarHBondContact O-N 3.32Å; M225-I236 HydrophobicContact CE-CG1 4.11Å; M225-I236 HydrophobicContact SD-CB 3.84Å; M225-I236 HydrophobicContact SD-CD1 3.69Å; M225-I236 HydrophobicContact SD-CG1 3.43Å; M225-I236 WeakPolarHBondContact SD-CG1 3.29Å; M225-I236 HydrophobicContact SD-CG2 3.42Å; M225-I236 WeakPolarHBondContact SD-CG2 3.44Å
226S37.4Very low43.7Very low33 Ų3372.1 Ų72.123%0.23141%0.414CS..  trans-102.8130.7171.363.60000109.4R115 L228R115-S226 PolarHBondContact NH1-OG 3.49Å; R115-S226 PolarHBondContact NH2-OG 3.49Å; S226-L228 PolarHBondContact O-N 2.74Å
227D35.7Very low45.9Very low145 Ų14572.3 Ų72.378%0.77540%0.401SS*.  trans-64.8112.6176.4-54.1-55.8000111.1
228L45.2Very low48.2Very low144 Ų14472.2 Ų72.275%0.75440%0.398SS*.  trans-150.6124151.4-160.564.2000108.8S226S226-L228 PolarHBondContact O-N 2.74Å
229E37.7Very low50.5Low185 Ų18572.4 Ų72.486%0.86440%0.396SS*.  trans-44.4120.5-179-59.8160.2170.900113.1
230D41.9Very low52.6Low130 Ų13068 Ų6870%0.69538%0.378SS*.  trans171108.8137-165.116.2000111.6
231S36.4Very low55.2Low99 Ų9964.3 Ų64.369%0.69237%0.365SS*.  trans43.299.2146.4-50.70000121.3
232G43.2Very low57.1Low48 Ų4864.1 Ų64.150%0.49536%0.363SS..  trans155102.2156.600000114.9T234G232-T234 PolarHBondContact O-N 2.79Å
233S51.4Low59.1Low131 Ų13169.4 Ų69.492%0.91638%0.381SS*.  trans-62.571.4-165.9-41.90000116.5
234T54.2Low61.2Low76 Ų7668.2 Ų68.247%0.46638%0.375SS..PPolyproline II helixtrans-89.6123.5166.3560000110.4G232 I236G232-T234 PolarHBondContact O-N 2.79Å; T234-I236 PolarHBondContact O-N 2.8Å
235P65.9Low62.9Low56 Ų5672 Ų7236%0.36440%0.4SS..PPolyproline II helixtrans-60.5134.8173.421.9-29.3000110.3T326 R327P235-T326 HydrophobicContact CB-CG2 4.33Å; P235-R327 WeakPolarHBondContact CA-O 3.39Å
236I73.8Confident65Low40 Ų4080.2 Ų80.221%0.20543%0.429CS..EExtended strand (participates in β ladder)trans-78.7122173.6-55.6-176.5000107.7M225 T234 T326 R327M225-I236 HydrophobicContact CE-CG1 4.11Å; M225-I236 HydrophobicContact SD-CB 3.84Å; M225-I236 HydrophobicContact SD-CD1 3.69Å; M225-I236 HydrophobicContact SD-CG1 3.43Å; M225-I236 WeakPolarHBondContact SD-CG1 3.29Å; M225-I236 HydrophobicContact SD-CG2 3.42Å; M225-I236 WeakPolarHBondContact SD-CG2 3.44Å; T234-I236 PolarHBondContact O-N 2.8Å; I236-T326 CarbonylContact O-C 3.59Å; I236-T326 WeakPolarHBondContact O-CA 3.27Å; I236-R327 PolarHBondContact N-O 3.14Å; I236-R327 PolarHBondContact O-N 3.15Å
237W80.9Confident67Low94 Ų9482.4 Ų82.436%0.35645%0.445SS..EExtended strand (participates in β ladder)trans-94.7143.5178.6-67.871.8000109.9E223 M295 V324 L325 T326E223-W237 WeakPolarHBondContact CG-O 3.35Å; E223-W237 PolarHBondContact OE2-N 3.23Å; E223-W237 VanDerWaalsContact OE2-N 3.12Å; W237-M295 HydrophobicContact CE3-CG 4.36Å; W237-M295 HydrophobicContact CH2-CB 4.41Å; W237-M295 HydrophobicContact CH2-CE 3.65Å; W237-M295 HydrophobicContact CH2-CG 3.92Å; W237-M295 HydrophobicContact CH2-SD 4.5Å; W237-M295 HydrophobicContact CZ2-CE 4.49Å; W237-M295 HydrophobicContact CZ3-CB 3.83Å; W237-M295 HydrophobicContact CZ3-CE 4.25Å; W237-M295 HydrophobicContact CZ3-CG 3.63Å; W237-V324 HydrophobicContact CE3-CG1 3.8Å; W237-V324 HydrophobicContact CZ3-CG1 4.15Å; W237-L325 CarbonylContact C-O 3.5Å; W237-L325 WeakPolarHBondContact CA-O 3.2Å; W237-T326 HydrophobicContact CB-CG2 4.46Å; W237-T326 HydrophobicContact CD2-CG2 3.18Å; W237-T326 HydrophobicContact CE3-CG2 3.4Å; W237-T326 VanDerWaalsContact CE3-CG2 3.4Å; W237-T326 HydrophobicContact CG-CG2 3.68Å; W237-T326 HydrophobicContact CH2-CG2 3.88Å; W237-T326 HydrophobicContact CZ2-CG2 3.66Å; W237-T326 HydrophobicContact CZ3-CG2 3.75Å
238Y78.3Confident69.2Low13 Ų1383.4 Ų83.45%0.05145%0.45CS..EExtended strand (participates in β ladder)trans-156.8156.5173.668.7-83.4000112.7P222 V240 D292 V324 L325 R327P222-Y238 HydrophobicContact CB-CD2 4.36Å; P222-Y238 HydrophobicContact CB-CG 4.13Å; P222-Y238 HydrophobicContact CG-CD2 3.97Å; P222-Y238 HydrophobicContact CG-CG 4.24Å; Y238-V240 HydrophobicContact CD2-CG2 3.71Å; Y238-V240 HydrophobicContact CE2-CG2 3.54Å; Y238-D292 PolarHBondContact OH-OD2 2.81Å; Y238-V324 WeakPolarHBondContact O-CA 3.17Å; Y238-L325 HydrophobicContact CD1-CB 4.12Å; Y238-L325 HydrophobicContact CD2-CB 4.48Å; Y238-L325 HydrophobicContact CD2-CD1 4.27Å; Y238-L325 HydrophobicContact CE1-CB 3.6Å; Y238-L325 HydrophobicContact CE2-CB 4.01Å; Y238-L325 HydrophobicContact CE2-CD1 3.69Å; Y238-L325 HydrophobicContact CE2-CG 4.35Å; Y238-L325 PolarHBondContact N-O 3.13Å; Y238-L325 PolarHBondContact O-N 2.91Å; Y238-R327 HydrophobicContact CE1-CB 4.44Å
239E80.9Confident71.2Confident37 Ų3781 Ų8117%0.17343%0.432CS..EExtended strand (participates in β ladder)trans-114.2140.4178.7-165.4172.3170.300110.6R220 L323 V324R220-E239 HydrophobicContact CB-CB 4.18Å; R220-E239 HydrophobicContact CB-CG 4.18Å; R220-E239 VanDerWaalsContact CD-OE1 3.29Å; R220-E239 WeakPolarHBondContact CD-OE1 3.36Å; R220-E239 WeakPolarHBondContact CD-OE2 3.16Å; R220-E239 IonicContact CZ-OE1 3.85Å; R220-E239 IonicContact CZ-OE2 2.71Å; R220-E239 IonicContact NE-OE1 2.75Å; R220-E239 IonicContact NE-OE2 3.36Å; R220-E239 VanDerWaalsContact NH1-CD 3.28Å; R220-E239 IonicContact NH1-OE1 2.72Å; R220-E239 PolarHBondContact NH1-OE1 3.36Å; R220-E239 IonicContact NH1-OE2 3.19Å; R220-E239 PolarHBondContact NH1-OE2 3.01Å; E239-L323 CarbonylContact C-O 3.46Å; E239-L323 VanDerWaalsContact CA-O 3.22Å; E239-L323 WeakPolarHBondContact CA-O 3.46Å; E239-L323 WeakPolarHBondContact CG-O 3.27Å; E239-V324 HydrophobicContact CG-CG2 4.28Å
240V80.7Confident73.7Confident0 Ų074.5 Ų74.50%041%0.414CS..EExtended strand (participates in β ladder)trans-130.9128.4175.6174.10000108.3Y238 L242 R287 I288 L323 L325Y238-V240 HydrophobicContact CD2-CG2 3.71Å; Y238-V240 HydrophobicContact CE2-CG2 3.54Å; V240-L242 HydrophobicContact CG1-CD2 3.55Å; V240-L242 HydrophobicContact CG1-CG 3.86Å; V240-R287 HydrophobicContact CG2-CB 4.19Å; V240-I288 HydrophobicContact CB-CD1 4.24Å; V240-I288 HydrophobicContact CB-CG1 4.28Å; V240-I288 HydrophobicContact CG1-CD1 3.84Å; V240-I288 HydrophobicContact CG1-CG1 4.13Å; V240-I288 HydrophobicContact CG2-CD1 4.4Å; V240-I288 HydrophobicContact CG2-CG1 3.9Å; V240-L323 PolarHBondContact N-O 2.82Å; V240-L323 WeakPolarHBondContact O-CB 3.32Å; V240-L323 PolarHBondContact O-N 3.17Å; V240-L325 HydrophobicContact CB-CD1 4.23Å; V240-L325 HydrophobicContact CG2-CD1 4.1Å
241Q88.5Confident76.1Confident15 Ų1569.1 Ų69.17%0.0739%0.385CS..EExtended strand (participates in β ladder)trans-106.3120.8169.2-170.8-172.792.400109.8S218 I320 V321 N322S218-Q241 VanDerWaalsContact O-CD 3.28Å; S218-Q241 PolarHBondContact O-NE2 3.02Å; S218-Q241 PolarHBondContact O-OE1 3.02Å; Q241-I320 HydrophobicContact CG-CG2 3.76Å; Q241-V321 CarbonylContact C-O 3.5Å; Q241-V321 WeakPolarHBondContact CA-O 3.49Å; Q241-N322 WeakPolarHBondContact CG-OD1 3.46Å; Q241-N322 PolarHBondContact NE2-OD1 2.96Å
242L84.5Confident78.8Confident5 Ų564.9 Ų64.93%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-106.4132.6175.3-58.2-178.1000109.8V240 L251 F253 L281 A282 D285 I288 V321 L323V240-L242 HydrophobicContact CG1-CD2 3.55Å; V240-L242 HydrophobicContact CG1-CG 3.86Å; L242-L251 HydrophobicContact CB-CD2 4.07Å; L242-L251 HydrophobicContact CD1-CB 4.16Å; L242-L251 HydrophobicContact CD1-CD2 4.06Å; L242-F253 HydrophobicContact CD1-CE1 4.18Å; L242-L281 HydrophobicContact CB-CB 4.45Å; L242-L281 HydrophobicContact CB-CD1 4.39Å; L242-L281 HydrophobicContact CD1-CB 4.17Å; L242-L281 HydrophobicContact CD2-CB 4.34Å; L242-A282 HydrophobicContact CD1-CB 4.39Å; L242-D285 HydrophobicContact CD2-CB 3.75Å; L242-I288 HydrophobicContact CD1-CD1 4.09Å; L242-V321 PolarHBondContact N-O 2.77Å; L242-V321 PolarHBondContact O-N 2.85Å; L242-L323 HydrophobicContact CD1-CD1 4.01Å; L242-L323 HydrophobicContact CG-CD1 4.39Å
243R89.1Confident81.3Confident129 Ų12963.9 Ų63.949%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-105.9118.1173.6-169.6-162.9-166.4152.3-2.4110.5P217 L281 D319P217-R243 HydrophobicContact CB-CB 4.28Å; P217-R243 HydrophobicContact CB-CG 4.26Å; P217-R243 VanDerWaalsContact CD-NH1 3.3Å; P217-R243 HydrophobicContact CG-CB 4.05Å; P217-R243 HydrophobicContact CG-CG 3.67Å; P217-R243 VanDerWaalsContact CG-NH1 3.34Å; R243-L281 WeakPolarHBondContact O-CD2 3.29Å; R243-D319 CarbonylContact C-O 3.15Å; R243-D319 WeakPolarHBondContact CA-O 3.49Å
244K88.1Confident83.4Confident16 Ų1660.1 Ų60.17%0.0731%0.313CS..  trans-73.9132172.9-62175.6-174.7160.70110.3R246 Y249 L251 L281 G318 D319K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 2.58Å; K244-Y249 VanDerWaalsContact CD-O 3.28Å; K244-Y249 WeakPolarHBondContact CD-O 3.48Å; K244-L251 HydrophobicContact CG-CD2 4.33Å; K244-L281 HydrophobicContact CB-CD1 4.48Å; K244-L281 HydrophobicContact CG-CD1 3.98Å; K244-G318 WeakPolarHBondContact CD-O 3.19Å; K244-G318 WeakPolarHBondContact CE-O 3.39Å; K244-G318 PolarHBondContact NZ-O 2.97Å; K244-D319 PolarHBondContact N-O 2.85Å
245P85.2Confident85.3Confident87 Ų8757.9 Ų57.957%0.56530%0.298SS*.SBendtrans-70.9-23.2174.326.8-34.1000112.7Y249P245-Y249 HydrophobicContact CG-CD1 4.04Å; P245-Y249 HydrophobicContact CG-CD2 3.7Å; P245-Y249 HydrophobicContact CG-CE1 4.46Å; P245-Y249 HydrophobicContact CG-CE2 4.14Å; P245-Y249 HydrophobicContact CG-CG 3.65Å
246R87Confident86.6Confident201 Ų20156.3 Ų56.376%0.75829%0.29SS*.SBendtrans-150.2151.1175.7-59.5-178.6-175.9152.21.8108.6K244 N248 Y249K244-R246 VanDerWaalsContact C-N 3.26Å; K244-R246 PolarHBondContact O-N 2.58Å; R246-N248 PolarHBondContact O-N 3.07Å; R246-Y249 WeakPolarHBondContact O-CB 3.08Å; R246-Y249 PolarHBondContact O-N 2.78Å
247S79.4Confident87.4Confident80 Ų8054.8 Ų54.856%0.55928%0.284SS*.THydrogen-bonded Turntrans-60.7-23.9-171.7-48.40000115.6D319S247-D319 WeakPolarHBondContact CA-OD1 3.39Å; S247-D319 WeakPolarHBondContact CB-OD1 3.18Å; S247-D319 PolarHBondContact OG-OD1 3.47Å
248N81.7Confident87.6Confident166 Ų16650.4 Ų50.489%0.88827%0.268SS*.THydrogen-bonded Turntrans-92.74.1176.9-63.9-14.9000113.8R246R246-N248 PolarHBondContact O-N 3.07Å
249Y86.9Confident87.9Confident93 Ų9354.7 Ų54.737%0.36529%0.288SS..  trans-77128.4178-160-86.8000109.9K244 P245 R246 L281K244-Y249 VanDerWaalsContact CD-O 3.28Å; K244-Y249 WeakPolarHBondContact CD-O 3.48Å; P245-Y249 HydrophobicContact CG-CD1 4.04Å; P245-Y249 HydrophobicContact CG-CD2 3.7Å; P245-Y249 HydrophobicContact CG-CE1 4.46Å; P245-Y249 HydrophobicContact CG-CE2 4.14Å; P245-Y249 HydrophobicContact CG-CG 3.65Å; R246-Y249 WeakPolarHBondContact O-CB 3.08Å; R246-Y249 PolarHBondContact O-N 2.78Å; Y249-L281 HydrophobicContact CD1-CD1 3.97Å; Y249-L281 HydrophobicContact CD1-CD2 4.41Å; Y249-L281 HydrophobicContact CD1-CG 3.92Å; Y249-L281 HydrophobicContact CE1-CD1 4.33Å; Y249-L281 HydrophobicContact CE1-CD2 4.11Å; Y249-L281 HydrophobicContact CE1-CG 3.76Å
250G89.5Confident87.9Confident48 Ų4857.4 Ų57.450%0.49530%0.304SS..  trans-70.5155-179.900000112.7G252G250-G252 PolarHBondContact O-N 2.86Å
251L93.1Very high87.4Confident17 Ų1759.9 Ų59.99%0.08932%0.319CS..  trans-71.9-11.6175.4-62.1172.6000113.1L242 K244 F253 L281 A282 L314 V321L242-L251 HydrophobicContact CB-CD2 4.07Å; L242-L251 HydrophobicContact CD1-CB 4.16Å; L242-L251 HydrophobicContact CD1-CD2 4.06Å; K244-L251 HydrophobicContact CG-CD2 4.33Å; L251-F253 HydrophobicContact CB-CD1 3.79Å; L251-F253 HydrophobicContact CB-CE1 3.42Å; L251-F253 VanDerWaalsContact CB-CE1 3.42Å; L251-F253 HydrophobicContact CB-CZ 4.03Å; L251-F253 HydrophobicContact CD1-CE1 3.82Å; L251-F253 HydrophobicContact CD1-CZ 3.68Å; L251-F253 HydrophobicContact CG-CE1 4.23Å; L251-L281 HydrophobicContact CD2-CD1 4.42Å; L251-A282 WeakPolarHBondContact O-CB 3.42Å; L251-A282 PolarHBondContact O-N 3.33Å; L251-L314 HydrophobicContact CD1-CD2 3.77Å; L251-V321 HydrophobicContact CD1-CG1 4.14Å; L251-V321 HydrophobicContact CD2-CB 4.05Å; L251-V321 HydrophobicContact CD2-CG1 4.43Å; L251-V321 HydrophobicContact CD2-CG2 3.88Å
252G93.5Very high86.2Confident11 Ų1168.5 Ų68.511%0.11336%0.359CS..SBendtrans82.121.1176.200000114.5G250 S277G250-G252 PolarHBondContact O-N 2.86Å; G252-S277 PolarHBondContact O-N 3.46Å
253F95.8Very high85Confident27 Ų2772.4 Ų72.412%0.11838%0.38CS..EExtended strand (participates in β ladder)trans-139159.6172.761.9-101.7000112.2L242 L251 I255 I273 R275 I276 A282 I288 L314 L323L242-F253 HydrophobicContact CD1-CE1 4.18Å; L251-F253 HydrophobicContact CB-CD1 3.79Å; L251-F253 HydrophobicContact CB-CE1 3.42Å; L251-F253 VanDerWaalsContact CB-CE1 3.42Å; L251-F253 HydrophobicContact CB-CZ 4.03Å; L251-F253 HydrophobicContact CD1-CE1 3.82Å; L251-F253 HydrophobicContact CD1-CZ 3.68Å; L251-F253 HydrophobicContact CG-CE1 4.23Å; F253-I255 HydrophobicContact CD2-CG2 3.88Å; F253-I255 HydrophobicContact CE2-CG2 3.71Å; F253-I273 HydrophobicContact CB-CG2 4.06Å; F253-I273 HydrophobicContact CD2-CD1 3.41Å; F253-I273 VanDerWaalsContact CD2-CD1 3.41Å; F253-I273 HydrophobicContact CE2-CD1 3.61Å; F253-I273 HydrophobicContact CG-CD1 4.01Å; F253-I273 HydrophobicContact CZ-CD1 4.34Å; F253-R275 CarbonylContact C-O 3.58Å; F253-R275 WeakPolarHBondContact CA-O 3.34Å; F253-I276 HydrophobicContact CB-CD1 3.7Å; F253-A282 HydrophobicContact CB-CB 4.34Å; F253-A282 HydrophobicContact CD1-CB 3.86Å; F253-I288 HydrophobicContact CD1-CD1 4.43Å; F253-I288 HydrophobicContact CE1-CD1 4.41Å; F253-L314 HydrophobicContact CE2-CD1 4.16Å; F253-L314 HydrophobicContact CE2-CD2 4.42Å; F253-L314 HydrophobicContact CZ-CD2 4.03Å; F253-L323 HydrophobicContact CE1-CD1 3.73Å; F253-L323 HydrophobicContact CZ-CD1 3.97Å
254S95.4Very high83.6Confident51 Ų5175.6 Ų75.636%0.35740%0.4SS..EExtended strand (participates in β ladder)trans-109.9142.2174.7-62.20000110.8I273 T274 R275S254-I273 CarbonylContact O-C 3.51Å; S254-I273 WeakPolarHBondContact O-CA 3.37Å; S254-T274 WeakPolarHBondContact CB-OG1 3.42Å; S254-T274 PolarHBondContact O-N 2.88Å; S254-T274 PolarHBondContact O-OG1 3.19Å; S254-R275 PolarHBondContact N-O 3.37Å
255I94.2Very high82.3Confident30 Ų3081.5 Ų81.515%0.15443%0.433CS..EExtended strand (participates in β ladder)trans-109.9154.1176.962.8164.3000112.4F253 I271 F272 I273 A310 V311 L314F253-I255 HydrophobicContact CD2-CG2 3.88Å; F253-I255 HydrophobicContact CE2-CG2 3.71Å; I255-I271 HydrophobicContact CB-CG2 3.94Å; I255-I271 HydrophobicContact CD1-CG2 3.9Å; I255-I271 HydrophobicContact CG2-CG2 4.09Å; I255-F272 CarbonylContact C-O 3.58Å; I255-F272 WeakPolarHBondContact CA-O 3.16Å; I255-I273 HydrophobicContact CG2-CD1 3.98Å; I255-A310 HydrophobicContact CD1-CB 3.91Å; I255-V311 HydrophobicContact CD1-CG2 3.88Å; I255-V311 HydrophobicContact CG1-CG2 4.44Å; I255-L314 HydrophobicContact CD1-CD1 3.85Å; I255-L314 HydrophobicContact CG2-CD1 4.07Å
256A91.5Very high81.1Confident23 Ų2380.3 Ų80.319%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-142.9176.7168.400000110.5F266 F272 T274A256-F266 HydrophobicContact CB-CE2 3.92Å; A256-F266 HydrophobicContact CB-CZ 3.86Å; A256-F272 PolarHBondContact N-O 2.8Å; A256-F272 PolarHBondContact O-N 2.8Å; A256-T274 HydrophobicContact CB-CG2 3.37Å
257G90.7Very high79.5Confident7 Ų774.3 Ų74.37%0.07241%0.406CS..EExtended strand (participates in β ladder)trans81.6-159-173.500000112G270 H307G257-G270 CarbonylContact C-O 3.53Å; G257-G270 WeakPolarHBondContact CA-O 3.49Å; G257-H307 VanDerWaalsContact O-CB 3.29Å; G257-H307 WeakPolarHBondContact O-CB 3.42Å; G257-H307 PolarHBondContact O-ND1 2.88Å
258G86.9Confident78.5Confident2 Ų275.4 Ų75.42%0.02141%0.414CS..  trans123.1152.9-167.900000110.9D260 V261 G270 A305G258-D260 PolarHBondContact O-N 2.88Å; G258-V261 PolarHBondContact O-N 3.35Å; G258-V261 VanDerWaalsContact O-N 3.11Å; G258-G270 PolarHBondContact N-O 3.17Å; G258-A305 WeakPolarHBondContact CA-O 3.28Å
259Q84Confident78.1Confident104 Ų10470.9 Ų70.949%0.48639%0.392SS..THydrogen-bonded Turntrans-63.2-22.1179.4-170.416836.100113.2V261 T269 H304 A305Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-T269 HydrophobicContact CG-CG2 4.13Å; Q259-H304 PolarHBondContact OE1-O 2.81Å; Q259-A305 PolarHBondContact N-O 2.8Å
260D80.4Confident78.2Confident94 Ų9466.6 Ų66.650%0.50338%0.376SS..THydrogen-bonded Turntrans-83.7-4.1177.557.3-41.4000114.2G258 T306 H307G258-D260 PolarHBondContact O-N 2.88Å; D260-T306 HydrophobicContact CB-CG2 4.12Å; D260-T306 VanDerWaalsContact OD1-CA 3.25Å; D260-T306 WeakPolarHBondContact OD1-CA 3.43Å; D260-T306 WeakPolarHBondContact OD1-CB 3.35Å; D260-H307 PolarHBondContact OD1-N 2.91Å
261V70Confident78.3Confident51 Ų5164.3 Ų64.331%0.30935%0.353SS..  trans-113.4101.6-174.3-174.50000110.3G258 Q259 N263 H307G258-V261 PolarHBondContact O-N 3.35Å; G258-V261 VanDerWaalsContact O-N 3.11Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; V261-N263 HydrophobicContact CG1-CB 4.03Å; V261-N263 WeakPolarHBondContact CG1-ND2 3.49Å; V261-N263 PolarHBondContact O-N 3.47Å; V261-H307 HydrophobicContact CG2-CB 4.4Å
262E63.1Low78.3Confident197 Ų19764.1 Ų64.192%0.92135%0.351SS*.  trans-76.8101.7164.3-65.2-178-179.300108.3
263N59.5Low78.3Confident87 Ų8763.7 Ų63.747%0.46535%0.346SS..  trans-133.2123.7176-102.4-34.8000110.3V261 N265 F266V261-N263 HydrophobicContact CG1-CB 4.03Å; V261-N263 WeakPolarHBondContact CG1-ND2 3.49Å; V261-N263 PolarHBondContact O-N 3.47Å; N263-N265 PolarHBondContact O-N 2.81Å; N263-F266 HydrophobicContact CB-CD2 4.41Å; N263-F266 PolarHBondContact O-N 3.33Å; N263-F266 VanDerWaalsContact O-N 3.13Å
264E59.2Low78.2Confident195 Ų19564.8 Ų64.891%0.91136%0.355SS*.THydrogen-bonded Turntrans-57-20176.2-60.5-67.2149.100113.4
265N62.5Low78Confident140 Ų14071.1 Ų71.175%0.74937%0.371SS*.THydrogen-bonded Turntrans-83.2-11.6-178.3-69.4-20.3000114.2N263N263-N265 PolarHBondContact O-N 2.81Å
266F58.8Low77.8Confident62 Ų6271.4 Ų71.427%0.27237%0.373SS..SBendtrans-128.2125.5-179.6-66.1-77.8000110.5A256 N263 S268 F272 T274A256-F266 HydrophobicContact CB-CE2 3.92Å; A256-F266 HydrophobicContact CB-CZ 3.86Å; N263-F266 HydrophobicContact CB-CD2 4.41Å; N263-F266 PolarHBondContact O-N 3.33Å; N263-F266 VanDerWaalsContact O-N 3.13Å; F266-S268 PolarHBondContact O-N 3.32Å; F266-S268 VanDerWaalsContact O-N 3.12Å; F266-F272 HydrophobicContact CB-CD2 4.17Å; F266-F272 HydrophobicContact CB-CE2 4.05Å; F266-F272 HydrophobicContact CD1-CB 3.9Å; F266-F272 HydrophobicContact CD1-CD1 4.35Å; F266-F272 AromaticContact CD1-CD2 3.55Å; F266-F272 HydrophobicContact CD1-CD2 3.55Å; F266-F272 HydrophobicContact CD1-CE2 4.14Å; F266-F272 AromaticContact CD1-CG 3.67Å; F266-F272 HydrophobicContact CD1-CG 3.67Å; F266-F272 HydrophobicContact CE1-CB 3.74Å; F266-F272 HydrophobicContact CE1-CD2 4.26Å; F266-F272 HydrophobicContact CE1-CG 4.04Å; F266-F272 HydrophobicContact CG-CD2 4.07Å; F266-F272 HydrophobicContact CG-CE2 4.44Å; F266-T274 HydrophobicContact CE1-CG2 4.41Å; F266-T274 HydrophobicContact CZ-CG2 3.86Å
267P54Low77.8Confident76 Ų7672.9 Ų72.949%0.49438%0.382SS..  trans-66.5114.6175.426.9-31.1000109.2F272P267-F272 HydrophobicContact CG-CZ 4.44Å
268S58.8Low77.7Confident103 Ų10378.5 Ų78.572%0.7242%0.417SS*.SBendtrans41.3109.6160.2-42.60000118.3F266 G270F266-S268 PolarHBondContact O-N 3.32Å; F266-S268 VanDerWaalsContact O-N 3.12Å; S268-G270 PolarHBondContact O-N 3.05Å; S268-G270 VanDerWaalsContact O-N 3.16Å
269T73.3Confident77.6Confident70 Ų7080.3 Ų80.343%0.42944%0.436SS..SBendtrans46.343.8157.268.50000118.3Q259 S303Q259-T269 HydrophobicContact CG-CG2 4.13Å; T269-S303 VanDerWaalsContact O-O 3.05Å
270G87.7Confident77.8Confident3 Ų375.8 Ų75.83%0.03142%0.417CS..  trans-127.2166.3177.200000114.2G257 G258 S268 F272G257-G270 CarbonylContact C-O 3.53Å; G257-G270 WeakPolarHBondContact CA-O 3.49Å; G258-G270 PolarHBondContact N-O 3.17Å; S268-G270 PolarHBondContact O-N 3.05Å; S268-G270 VanDerWaalsContact O-N 3.16Å; G270-F272 WeakPolarHBondContact O-CD2 3.49Å
271I93.3Very high78.1Confident1 Ų172.5 Ų72.51%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-101.5122.2170.9-57.1-63.7000108.6I255 Q293 L294 A310I255-I271 HydrophobicContact CB-CG2 3.94Å; I255-I271 HydrophobicContact CD1-CG2 3.9Å; I255-I271 HydrophobicContact CG2-CG2 4.09Å; I271-Q293 CarbonylContact O-C 3.54Å; I271-Q293 WeakPolarHBondContact O-CA 3.31Å; I271-L294 HydrophobicContact CB-CB 4.46Å; I271-L294 HydrophobicContact CG2-CB 4.25Å; I271-L294 HydrophobicContact CG2-CD2 4.4Å; I271-L294 PolarHBondContact O-N 3.21Å; I271-A310 HydrophobicContact CD1-CB 3.48Å; I271-A310 VanDerWaalsContact CD1-CB 3.48Å; I271-A310 HydrophobicContact CG1-CB 3.67Å; I271-A310 HydrophobicContact CG2-CB 4.12Å
272F92.7Very high79Confident13 Ų1370 Ų706%0.05738%0.384CS..EExtended strand (participates in β ladder)trans-120.8140.8-172.9-64.3-90.2000112.6I255 A256 F266 P267 G270 D292 Q293I255-F272 CarbonylContact C-O 3.58Å; I255-F272 WeakPolarHBondContact CA-O 3.16Å; A256-F272 PolarHBondContact N-O 2.8Å; A256-F272 PolarHBondContact O-N 2.8Å; F266-F272 HydrophobicContact CB-CD2 4.17Å; F266-F272 HydrophobicContact CB-CE2 4.05Å; F266-F272 HydrophobicContact CD1-CB 3.9Å; F266-F272 HydrophobicContact CD1-CD1 4.35Å; F266-F272 AromaticContact CD1-CD2 3.55Å; F266-F272 HydrophobicContact CD1-CD2 3.55Å; F266-F272 HydrophobicContact CD1-CE2 4.14Å; F266-F272 AromaticContact CD1-CG 3.67Å; F266-F272 HydrophobicContact CD1-CG 3.67Å; F266-F272 HydrophobicContact CE1-CB 3.74Å; F266-F272 HydrophobicContact CE1-CD2 4.26Å; F266-F272 HydrophobicContact CE1-CG 4.04Å; F266-F272 HydrophobicContact CG-CD2 4.07Å; F266-F272 HydrophobicContact CG-CE2 4.44Å; P267-F272 HydrophobicContact CG-CZ 4.44Å; G270-F272 WeakPolarHBondContact O-CD2 3.49Å; F272-D292 CarbonylContact C-O 3.04Å; F272-D292 WeakPolarHBondContact CA-O 3.2Å; F272-Q293 HydrophobicContact CD1-CB 3.81Å; F272-Q293 HydrophobicContact CD1-CG 4.24Å; F272-Q293 HydrophobicContact CE1-CB 3.66Å; F272-Q293 HydrophobicContact CE1-CG 3.91Å; F272-Q293 HydrophobicContact CZ-CB 4.41Å; F272-Q293 HydrophobicContact CZ-CG 4.17Å
273I93Very high80.2Confident1 Ų164.2 Ų64.21%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-73.5123.1170.3-53.1-54000108.9F253 S254 I255 I276 I288 P290 G291 D292 L325F253-I273 HydrophobicContact CB-CG2 4.06Å; F253-I273 HydrophobicContact CD2-CD1 3.41Å; F253-I273 VanDerWaalsContact CD2-CD1 3.41Å; F253-I273 HydrophobicContact CE2-CD1 3.61Å; F253-I273 HydrophobicContact CG-CD1 4.01Å; F253-I273 HydrophobicContact CZ-CD1 4.34Å; S254-I273 CarbonylContact O-C 3.51Å; S254-I273 WeakPolarHBondContact O-CA 3.37Å; I255-I273 HydrophobicContact CG2-CD1 3.98Å; I273-I276 HydrophobicContact CG2-CD1 3.7Å; I273-I288 HydrophobicContact CG1-CG2 4.02Å; I273-I288 HydrophobicContact CG2-CG2 4.22Å; I273-P290 WeakPolarHBondContact O-CA 3.41Å; I273-G291 PolarHBondContact O-N 3.46Å; I273-D292 HydrophobicContact CB-CB 4.41Å; I273-D292 HydrophobicContact CG1-CB 4.1Å; I273-D292 WeakPolarHBondContact CG1-O 3.48Å; I273-D292 PolarHBondContact N-O 3.44Å; I273-L325 HydrophobicContact CD1-CD2 4.46Å; I273-L325 HydrophobicContact CG1-CD2 4Å
274T93Very high81.1Confident50 Ų5066.2 Ų66.231%0.30737%0.369SS..EExtended strand (participates in β ladder)trans-106.6-30.5-177.4530000113.8S254 A256 F266S254-T274 WeakPolarHBondContact CB-OG1 3.42Å; S254-T274 PolarHBondContact O-N 2.88Å; S254-T274 PolarHBondContact O-OG1 3.19Å; A256-T274 HydrophobicContact CB-CG2 3.37Å; F266-T274 HydrophobicContact CE1-CG2 4.41Å; F266-T274 HydrophobicContact CZ-CG2 3.86Å
275R92.5Very high82.4Confident184 Ų18458.3 Ų58.369%0.69433%0.333SS*.EExtended strand (participates in β ladder)trans-149.6146.6-178.5-64.7-172.9-179.7177.7-0110F253 S254F253-R275 CarbonylContact C-O 3.58Å; F253-R275 WeakPolarHBondContact CA-O 3.34Å; S254-R275 PolarHBondContact N-O 3.37Å
276I89.8Confident83.3Confident36 Ų3654 Ų5419%0.18532%0.322CS..EExtended strand (participates in β ladder)trans-108.7134.1168.1-55.1-59.9000107.8F253 I273 A282 D283 I288 P290F253-I276 HydrophobicContact CB-CD1 3.7Å; I273-I276 HydrophobicContact CG2-CD1 3.7Å; I276-A282 HydrophobicContact CD1-CB 4.15Å; I276-A282 HydrophobicContact CG2-CB 4.32Å; I276-D283 HydrophobicContact CG2-CB 3.72Å; I276-I288 HydrophobicContact CD1-CB 4.31Å; I276-I288 HydrophobicContact CD1-CG2 3.87Å; I276-P290 HydrophobicContact CG1-CG 4.27Å
277S90.7Very high84.4Confident55 Ų5552.3 Ų52.339%0.38531%0.314SS..  trans-86.9123.2-179.3-59.20000109.6G252 G279 G280 D283G252-S277 PolarHBondContact O-N 3.46Å; S277-G279 PolarHBondContact O-N 2.94Å; S277-G280 PolarHBondContact O-N 3.48Å; S277-D283 WeakPolarHBondContact O-CB 3.2Å
278P88.6Confident85.9Confident124 Ų12449 Ų4981%0.80529%0.292SS*.THydrogen-bonded Turntrans-54.8129.6177.7-26.234.7000112G280 D283P278-G280 VanDerWaalsContact C-N 3.25Å; P278-G280 PolarHBondContact O-N 3.38Å; P278-D283 WeakPolarHBondContact CA-OD2 3.39Å
279G84.8Confident87.2Confident41 Ų4148.4 Ų48.442%0.42328%0.279SS..THydrogen-bonded Turntrans73.65.7-176.400000115.5S277 D283S277-G279 PolarHBondContact O-N 2.94Å; G279-D283 PolarHBondContact N-OD2 2.78Å
280G88.8Confident88Confident8 Ų848.9 Ų48.98%0.08228%0.283CS..SBendtrans-79170.9174.200000113.1S277 P278 A282 D283 L284S277-G280 PolarHBondContact O-N 3.48Å; P278-G280 VanDerWaalsContact C-N 3.25Å; P278-G280 PolarHBondContact O-N 3.38Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 2.76Å; G280-D283 WeakPolarHBondContact O-CB 3.28Å; G280-D283 PolarHBondContact O-N 3.03Å; G280-D283 VanDerWaalsContact O-N 3.13Å; G280-L284 WeakPolarHBondContact O-CG 3.33Å; G280-L284 PolarHBondContact O-N 2.78Å
281L87.1Confident88Confident25 Ų2551.1 Ų51.113%0.13131%0.306CS..Hα-helixtrans-59-42.5-178-66.8174.7000113L242 R243 K244 Y249 L251 D283 L284 D285L242-L281 HydrophobicContact CB-CB 4.45Å; L242-L281 HydrophobicContact CB-CD1 4.39Å; L242-L281 HydrophobicContact CD1-CB 4.17Å; L242-L281 HydrophobicContact CD2-CB 4.34Å; R243-L281 WeakPolarHBondContact O-CD2 3.29Å; K244-L281 HydrophobicContact CB-CD1 4.48Å; K244-L281 HydrophobicContact CG-CD1 3.98Å; Y249-L281 HydrophobicContact CD1-CD1 3.97Å; Y249-L281 HydrophobicContact CD1-CD2 4.41Å; Y249-L281 HydrophobicContact CD1-CG 3.92Å; Y249-L281 HydrophobicContact CE1-CD1 4.33Å; Y249-L281 HydrophobicContact CE1-CD2 4.11Å; Y249-L281 HydrophobicContact CE1-CG 3.76Å; L251-L281 HydrophobicContact CD2-CD1 4.42Å; L281-D283 VanDerWaalsContact C-N 3.33Å; L281-L284 PolarHBondContact O-N 2.96Å; L281-D285 VanDerWaalsContact O-CB 3.28Å; L281-D285 WeakPolarHBondContact O-CB 3.4Å; L281-D285 PolarHBondContact O-N 2.86Å
282A87.6Confident87.9Confident0 Ų051.1 Ų51.10%031%0.306CS..Hα-helixtrans-66.4-33.5177.200000113.7L242 L251 F253 I276 G280 G286 I288L242-A282 HydrophobicContact CD1-CB 4.39Å; L251-A282 WeakPolarHBondContact O-CB 3.42Å; L251-A282 PolarHBondContact O-N 3.33Å; F253-A282 HydrophobicContact CB-CB 4.34Å; F253-A282 HydrophobicContact CD1-CB 3.86Å; I276-A282 HydrophobicContact CD1-CB 4.15Å; I276-A282 HydrophobicContact CG2-CB 4.32Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 2.76Å; A282-G286 PolarHBondContact O-N 2.87Å; A282-I288 HydrophobicContact CB-CB 4.31Å; A282-I288 HydrophobicContact CB-CD1 3.93Å
283D88.4Confident87.8Confident75 Ų7552.4 Ų52.440%0.40131%0.312SS..Hα-helixtrans-69.2-45.5174.6-170.742.1000111.2I276 S277 P278 G279 G280 L281 D285 G286I276-D283 HydrophobicContact CG2-CB 3.72Å; S277-D283 WeakPolarHBondContact O-CB 3.2Å; P278-D283 WeakPolarHBondContact CA-OD2 3.39Å; G279-D283 PolarHBondContact N-OD2 2.78Å; G280-D283 WeakPolarHBondContact O-CB 3.28Å; G280-D283 PolarHBondContact O-N 3.03Å; G280-D283 VanDerWaalsContact O-N 3.13Å; L281-D283 VanDerWaalsContact C-N 3.33Å; D283-D285 VanDerWaalsContact C-N 3.31Å; D283-D285 PolarHBondContact O-N 2.87Å; D283-G286 WeakPolarHBondContact O-CA 3.49Å; D283-G286 PolarHBondContact O-N 3.43Å
284L78.9Confident87.9Confident128 Ų12852.4 Ų52.467%0.6731%0.312SS*.Hα-helixtrans-65.6-33.3177.7-67.4173.4000112.8G280 L281G280-L284 WeakPolarHBondContact O-CG 3.33Å; G280-L284 PolarHBondContact O-N 2.78Å; L281-L284 PolarHBondContact O-N 2.96Å
285D85.6Confident87.9Confident29 Ų2951.3 Ų51.316%0.15530%0.304CS..Hα-helixtrans-71.3-36.7172.9-178.1-88.9000111.8L242 L281 D283 R287L242-D285 HydrophobicContact CD2-CB 3.75Å; L281-D285 VanDerWaalsContact O-CB 3.28Å; L281-D285 WeakPolarHBondContact O-CB 3.4Å; L281-D285 PolarHBondContact O-N 2.86Å; D283-D285 VanDerWaalsContact C-N 3.31Å; D283-D285 PolarHBondContact O-N 2.87Å; D285-R287 PolarHBondContact O-N 2.71Å; D285-R287 WeakPolarHBondContact OD1-CB 3.39Å; D285-R287 IonicContact OD1-CZ 2.7Å; D285-R287 PolarHBondContact OD1-N 2.81Å; D285-R287 IonicContact OD1-NE 3.59Å; D285-R287 PolarHBondContact OD1-NE 2.75Å; D285-R287 IonicContact OD1-NH2 3.59Å; D285-R287 PolarHBondContact OD1-NH2 3.05Å; D285-R287 IonicContact OD2-CZ 3.09Å; D285-R287 IonicContact OD2-NE 3.61Å; D285-R287 PolarHBondContact OD2-NE 3.36Å; D285-R287 IonicContact OD2-NH2 3.92Å; D285-R287 PolarHBondContact OD2-NH2 2.92Å
286G82.1Confident87.9Confident49 Ų4945.4 Ų45.451%0.50528%0.284SS..  trans77.6-5.4169.800000116A282 D283A282-G286 PolarHBondContact O-N 2.87Å; D283-G286 WeakPolarHBondContact O-CA 3.49Å; D283-G286 PolarHBondContact O-N 3.43Å
287R81.3Confident88.1Confident28 Ų2843.7 Ų43.711%0.10628%0.276CS..  trans-89.7-33.6-177.9-61.7175.4-69.1178.76.7113.5R220 S221 P222 V240 D285 R327R220-R287 PolarHBondContact O-NH1 3.46Å; R220-R287 PolarHBondContact O-NH2 3.35Å; S221-R287 PolarHBondContact OG-NH1 2.58Å; P222-R287 HydrophobicContact CG-CG 4.38Å; V240-R287 HydrophobicContact CG2-CB 4.19Å; D285-R287 PolarHBondContact O-N 2.71Å; D285-R287 WeakPolarHBondContact OD1-CB 3.39Å; D285-R287 IonicContact OD1-CZ 2.7Å; D285-R287 PolarHBondContact OD1-N 2.81Å; D285-R287 IonicContact OD1-NE 3.59Å; D285-R287 PolarHBondContact OD1-NE 2.75Å; D285-R287 IonicContact OD1-NH2 3.59Å; D285-R287 PolarHBondContact OD1-NH2 3.05Å; D285-R287 IonicContact OD2-CZ 3.09Å; D285-R287 IonicContact OD2-NE 3.61Å; D285-R287 PolarHBondContact OD2-NE 3.36Å; D285-R287 IonicContact OD2-NH2 3.92Å; D285-R287 PolarHBondContact OD2-NH2 2.92Å; R287-R327 PolarHBondContact O-NH2 3.03Å
288I86.3Confident88.1Confident6 Ų643.1 Ų43.13%0.03127%0.268CS..  trans-78130.5-178-52.3176.8000109.6V240 L242 F253 I273 I276 A282 L323 L325V240-I288 HydrophobicContact CB-CD1 4.24Å; V240-I288 HydrophobicContact CB-CG1 4.28Å; V240-I288 HydrophobicContact CG1-CD1 3.84Å; V240-I288 HydrophobicContact CG1-CG1 4.13Å; V240-I288 HydrophobicContact CG2-CD1 4.4Å; V240-I288 HydrophobicContact CG2-CG1 3.9Å; L242-I288 HydrophobicContact CD1-CD1 4.09Å; F253-I288 HydrophobicContact CD1-CD1 4.43Å; F253-I288 HydrophobicContact CE1-CD1 4.41Å; I273-I288 HydrophobicContact CG1-CG2 4.02Å; I273-I288 HydrophobicContact CG2-CG2 4.22Å; I276-I288 HydrophobicContact CD1-CB 4.31Å; I276-I288 HydrophobicContact CD1-CG2 3.87Å; A282-I288 HydrophobicContact CB-CB 4.31Å; A282-I288 HydrophobicContact CB-CD1 3.93Å; I288-L323 HydrophobicContact CD1-CD1 3.87Å; I288-L325 HydrophobicContact CG1-CD1 4.47Å; I288-L325 HydrophobicContact CG2-CD2 4.11Å
289M85.8Confident88Confident90 Ų9045.1 Ų45.144%0.44327%0.267SS..  trans-125.6155-179.3-63.9-178.9-175.700111.4G291 D292 R327M289-G291 PolarHBondContact O-N 2.77Å; M289-D292 PolarHBondContact N-OD2 3.19Å; M289-D292 WeakPolarHBondContact O-CB 3.28Å; M289-D292 PolarHBondContact O-N 2.9Å; M289-D292 VanDerWaalsContact O-OD2 3.09Å; M289-R327 VanDerWaalsContact CG-NH2 3.3Å; M289-R327 PolarHBondContact SD-NH1 3.13Å
290P89.6Confident88.4Confident80 Ų8047.2 Ų47.252%0.51927%0.267SS..THydrogen-bonded Turntrans-55.8138.2165.4-22.434.8000111I273 I276I273-P290 WeakPolarHBondContact O-CA 3.41Å; I276-P290 HydrophobicContact CG1-CG 4.27Å
291G88.7Confident88.5Confident50 Ų5051.4 Ų51.452%0.51529%0.288SS..THydrogen-bonded Turntrans98.1-14.1-175.600000114.2I273 M289I273-G291 PolarHBondContact O-N 3.46Å; M289-G291 PolarHBondContact O-N 2.77Å
292D90Very high88.7Confident1 Ų150.3 Ų50.31%0.00528%0.282CS..  trans-68.9135.7177.3-65.7-26.2000111.5Y238 F272 I273 M289 L325 T326 R327Y238-D292 PolarHBondContact OH-OD2 2.81Å; F272-D292 CarbonylContact C-O 3.04Å; F272-D292 WeakPolarHBondContact CA-O 3.2Å; I273-D292 HydrophobicContact CB-CB 4.41Å; I273-D292 HydrophobicContact CG1-CB 4.1Å; I273-D292 WeakPolarHBondContact CG1-O 3.48Å; I273-D292 PolarHBondContact N-O 3.44Å; M289-D292 PolarHBondContact N-OD2 3.19Å; M289-D292 WeakPolarHBondContact O-CB 3.28Å; M289-D292 PolarHBondContact O-N 2.9Å; M289-D292 VanDerWaalsContact O-OD2 3.09Å; D292-L325 HydrophobicContact CB-CD2 3.91Å; D292-T326 WeakPolarHBondContact CA-O 3.38Å; D292-R327 VanDerWaalsContact OD1-CB 3.28Å; D292-R327 WeakPolarHBondContact OD1-CB 3.45Å; D292-R327 VanDerWaalsContact OD1-CG 3.29Å; D292-R327 WeakPolarHBondContact OD1-CG 3.48Å; D292-R327 IonicContact OD1-CZ 3.5Å; D292-R327 IonicContact OD1-NE 2.71Å; D292-R327 PolarHBondContact OD1-NE 3.02Å; D292-R327 IonicContact OD1-NH2 3.4Å; D292-R327 PolarHBondContact OD1-NH2 3.16Å; D292-R327 IonicContact OD2-CZ 3.63Å; D292-R327 IonicContact OD2-NE 3.62Å; D292-R327 IonicContact OD2-NH2 2.76Å; D292-R327 PolarHBondContact OD2-NH2 3.41Å
293Q92.2Very high88.6Confident40 Ų4051.5 Ų51.519%0.18729%0.29CS..EExtended strand (participates in β ladder)trans-89.9125.4173.4-176.4179.1-9.200109.3I271 F272 M295 L325 T326I271-Q293 CarbonylContact O-C 3.54Å; I271-Q293 WeakPolarHBondContact O-CA 3.31Å; F272-Q293 HydrophobicContact CD1-CB 3.81Å; F272-Q293 HydrophobicContact CD1-CG 4.24Å; F272-Q293 HydrophobicContact CE1-CB 3.66Å; F272-Q293 HydrophobicContact CE1-CG 3.91Å; F272-Q293 HydrophobicContact CZ-CB 4.41Å; F272-Q293 HydrophobicContact CZ-CG 4.17Å; Q293-M295 VanDerWaalsContact CD-SD 3.54Å; Q293-M295 HydrophobicContact CG-SD 3.69Å; Q293-M295 PolarHBondContact NE2-SD 2.96Å; Q293-L325 CarbonylContact O-C 3.48Å; Q293-L325 WeakPolarHBondContact O-CA 3.41Å; Q293-T326 WeakPolarHBondContact CB-OG1 3.44Å; Q293-T326 PolarHBondContact N-O 2.95Å; Q293-T326 PolarHBondContact O-N 3.39Å
294L93.6Very high88.5Confident1 Ų153.6 Ų53.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-85.4113.1176.1-178.666.5000109.4I271 V297 L302 L314 L323 L325I271-L294 HydrophobicContact CB-CB 4.46Å; I271-L294 HydrophobicContact CG2-CB 4.25Å; I271-L294 HydrophobicContact CG2-CD2 4.4Å; I271-L294 PolarHBondContact O-N 3.21Å; L294-V297 HydrophobicContact CD1-CG2 4.27Å; L294-V297 HydrophobicContact CD2-CG2 3.8Å; L294-V297 HydrophobicContact CG-CG2 4.26Å; L294-L302 HydrophobicContact CD2-CD1 3.62Å; L294-L302 HydrophobicContact CG-CD1 3.84Å; L294-L314 HydrophobicContact CD2-CD1 4.09Å; L294-L314 HydrophobicContact CD2-CD2 4.04Å; L294-L314 HydrophobicContact CD2-CG 4.39Å; L294-L323 HydrophobicContact CD1-CB 3.93Å; L294-L323 HydrophobicContact CD1-CD2 3.87Å; L294-L323 HydrophobicContact CD1-CG 4.4Å; L294-L325 HydrophobicContact CD1-CD2 4.25Å; L294-L325 HydrophobicContact CD1-CG 4.04Å
295M92.8Very high89.1Confident27 Ų2747.7 Ų47.713%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-95.6-32.8-175.8-62-56.6-71.100112.8W237 Q293 D301 L302 V324 T326W237-M295 HydrophobicContact CE3-CG 4.36Å; W237-M295 HydrophobicContact CH2-CB 4.41Å; W237-M295 HydrophobicContact CH2-CE 3.65Å; W237-M295 HydrophobicContact CH2-CG 3.92Å; W237-M295 HydrophobicContact CH2-SD 4.5Å; W237-M295 HydrophobicContact CZ2-CE 4.49Å; W237-M295 HydrophobicContact CZ3-CB 3.83Å; W237-M295 HydrophobicContact CZ3-CE 4.25Å; W237-M295 HydrophobicContact CZ3-CG 3.63Å; Q293-M295 VanDerWaalsContact CD-SD 3.54Å; Q293-M295 HydrophobicContact CG-SD 3.69Å; Q293-M295 PolarHBondContact NE2-SD 2.96Å; M295-D301 VanDerWaalsContact O-OD1 3.07Å; M295-L302 PolarHBondContact O-N 2.97Å; M295-V324 HydrophobicContact CB-CG1 4.46Å; M295-V324 PolarHBondContact N-O 3.3Å; M295-T326 HydrophobicContact CG-CG2 3.73Å
296Q94.2Very high89.4Confident60 Ų6048.4 Ų48.428%0.2827%0.273SS..EExtended strand (participates in β ladder)trans-151146.8-174.9-165.1-175.4-38.900111.6I300 L323 V324Q296-I300 CarbonylContact C-O 3.6Å; Q296-I300 VanDerWaalsContact CA-O 3.27Å; Q296-I300 WeakPolarHBondContact CA-O 3.34Å; Q296-I300 VanDerWaalsContact CG-O 3.3Å; Q296-I300 WeakPolarHBondContact CG-O 3.38Å; Q296-L323 WeakPolarHBondContact O-CA 3.38Å; Q296-V324 HydrophobicContact CB-CB 3.7Å; Q296-V324 HydrophobicContact CB-CG2 3.82Å; Q296-V324 HydrophobicContact CG-CG2 4.44Å; Q296-V324 PolarHBondContact N-O 2.78Å; Q296-V324 PolarHBondContact O-N 2.88Å
297V93.5Very high89.8Confident1 Ų148.8 Ų48.81%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-131117.6171179.40000109.3L294 E299 I300 L302 I313 L314 A317 V321 N322 L323L294-V297 HydrophobicContact CD1-CG2 4.27Å; L294-V297 HydrophobicContact CD2-CG2 3.8Å; L294-V297 HydrophobicContact CG-CG2 4.26Å; V297-E299 PolarHBondContact O-N 3.42Å; V297-I300 PolarHBondContact N-O 3.19Å; V297-I300 VanDerWaalsContact O-CB 3.3Å; V297-I300 WeakPolarHBondContact O-CB 3.47Å; V297-I300 PolarHBondContact O-N 2.98Å; V297-L302 HydrophobicContact CB-CD1 4.48Å; V297-L302 HydrophobicContact CG2-CD1 3.56Å; V297-L302 HydrophobicContact CG2-CG 4.43Å; V297-I313 HydrophobicContact CB-CG2 3.67Å; V297-I313 HydrophobicContact CG1-CG2 3.87Å; V297-I313 HydrophobicContact CG2-CG2 4.25Å; V297-L314 HydrophobicContact CG1-CD2 4.25Å; V297-L314 HydrophobicContact CG2-CD2 3.66Å; V297-L314 HydrophobicContact CG2-CG 4.24Å; V297-A317 HydrophobicContact CG1-CB 3.83Å; V297-V321 HydrophobicContact CG1-CG1 3.88Å; V297-N322 CarbonylContact C-O 3.59Å; V297-N322 VanDerWaalsContact CA-O 3.3Å; V297-N322 WeakPolarHBondContact CA-O 3.42Å; V297-L323 HydrophobicContact CG1-CD2 4.32Å; V297-L323 HydrophobicContact CG2-CD2 3.82Å
298N90Very high90.4Very high42 Ų4253.1 Ų53.123%0.22528%0.283CS..THydrogen-bonded Turntrans45.458.8177.2-75-16.3000113.6I300 A317 I320 N322N298-I300 PolarHBondContact O-N 3.47Å; N298-I300 VanDerWaalsContact O-N 3.16Å; N298-A317 PolarHBondContact ND2-O 2.86Å; N298-I320 PolarHBondContact ND2-O 3.35Å; N298-I320 PolarHBondContact OD1-O 3.5Å; N298-N322 PolarHBondContact N-O 3.31Å; N298-N322 WeakPolarHBondContact OD1-CB 3.39Å; N298-N322 PolarHBondContact OD1-N 2.8Å; N298-N322 PolarHBondContact OD1-ND2 3.49Å; N298-N322 VanDerWaalsContact OD1-ND2 3.12Å
299E87.9Confident90.8Very high167 Ų16756.5 Ų56.578%0.7830%0.299SS*.THydrogen-bonded Turntrans72.1-6.9-177.6-49.9-87.9144.400115.3V297V297-E299 PolarHBondContact O-N 3.42Å
300I92.1Very high91.3Very high85 Ų8552.2 Ų52.244%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-94.4115.5178.9-52.8174.1000109.6Q296 V297 N298 I313Q296-I300 CarbonylContact C-O 3.6Å; Q296-I300 VanDerWaalsContact CA-O 3.27Å; Q296-I300 WeakPolarHBondContact CA-O 3.34Å; Q296-I300 VanDerWaalsContact CG-O 3.3Å; Q296-I300 WeakPolarHBondContact CG-O 3.38Å; V297-I300 PolarHBondContact N-O 3.19Å; V297-I300 VanDerWaalsContact O-CB 3.3Å; V297-I300 WeakPolarHBondContact O-CB 3.47Å; V297-I300 PolarHBondContact O-N 2.98Å; N298-I300 PolarHBondContact O-N 3.47Å; N298-I300 VanDerWaalsContact O-N 3.16Å; I300-I313 HydrophobicContact CB-CG2 4.45Å; I300-I313 HydrophobicContact CD1-CG2 4.24Å; I300-I313 HydrophobicContact CG2-CD1 3.72Å; I300-I313 HydrophobicContact CG2-CG1 4.41Å
301D90.9Very high91.5Very high96 Ų9649.7 Ų49.751%0.51326%0.261SS..EExtended strand (participates in β ladder)trans-67.8137.9174.7-179.840.8000111.5M295 S303M295-D301 VanDerWaalsContact O-OD1 3.07Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.45Å; D301-S303 VanDerWaalsContact OD1-N 3.15Å; D301-S303 PolarHBondContact OD1-OG 2.98Å; D301-S303 WeakPolarHBondContact OD2-CB 3.29Å; D301-S303 PolarHBondContact OD2-OG 3.3Å
302L92.5Very high91.9Very high1 Ų153.1 Ų53.11%0.00526%0.258CS..  trans-116.34.9179.9-65.5-176.4000112.8L294 M295 V297 H304 A305 A310 I313L294-L302 HydrophobicContact CD2-CD1 3.62Å; L294-L302 HydrophobicContact CG-CD1 3.84Å; M295-L302 PolarHBondContact O-N 2.97Å; V297-L302 HydrophobicContact CB-CD1 4.48Å; V297-L302 HydrophobicContact CG2-CD1 3.56Å; V297-L302 HydrophobicContact CG2-CG 4.43Å; L302-H304 PolarHBondContact O-N 2.77Å; L302-A305 HydrophobicContact CB-CB 4.17Å; L302-A305 HydrophobicContact CD2-CB 3.68Å; L302-A305 PolarHBondContact O-N 3.4Å; L302-A305 VanDerWaalsContact O-N 3.07Å; L302-A310 HydrophobicContact CD1-CB 4.47Å; L302-A310 HydrophobicContact CD2-CB 4.41Å; L302-I313 HydrophobicContact CD2-CB 4.44Å; L302-I313 HydrophobicContact CD2-CD1 3.38Å; L302-I313 HydrophobicContact CD2-CG1 4.5Å; L302-I313 HydrophobicContact CD2-CG2 4.38Å
303S85.1Confident92.2Very high25 Ų2554.1 Ų54.118%0.17526%0.263CS..THydrogen-bonded Turntrans-52.1-29.1-178.468.70000114.4T269 D301T269-S303 VanDerWaalsContact O-O 3.05Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.45Å; D301-S303 VanDerWaalsContact OD1-N 3.15Å; D301-S303 PolarHBondContact OD1-OG 2.98Å; D301-S303 WeakPolarHBondContact OD2-CB 3.29Å; D301-S303 PolarHBondContact OD2-OG 3.3Å
304H86.4Confident92.3Very high119 Ų11953 Ų5355%0.55126%0.258SS*.THydrogen-bonded Turntrans-127.220.3178.9-60.9-55.2000113Q259 L302Q259-H304 PolarHBondContact OE1-O 2.81Å; L302-H304 PolarHBondContact O-N 2.77Å
305A90.1Very high92.2Very high5 Ų562.2 Ų62.24%0.04129%0.293CS..  trans-72.4144.4179.800000111.6G258 Q259 L302 E309 A310G258-A305 WeakPolarHBondContact CA-O 3.28Å; Q259-A305 PolarHBondContact N-O 2.8Å; L302-A305 HydrophobicContact CB-CB 4.17Å; L302-A305 HydrophobicContact CD2-CB 3.68Å; L302-A305 PolarHBondContact O-N 3.4Å; L302-A305 VanDerWaalsContact O-N 3.07Å; A305-E309 HydrophobicContact CB-CB 4.39Å; A305-E309 HydrophobicContact CB-CG 4.29Å; A305-A310 HydrophobicContact CB-CB 4.48Å
306T92Very high92.2Very high43 Ų4367 Ų6726%0.26432%0.319SS..  trans-69.8161.3163.159.50000110.4D260 E308 E309 A310D260-T306 HydrophobicContact CB-CG2 4.12Å; D260-T306 VanDerWaalsContact OD1-CA 3.25Å; D260-T306 WeakPolarHBondContact OD1-CA 3.43Å; D260-T306 WeakPolarHBondContact OD1-CB 3.35Å; T306-E308 VanDerWaalsContact C-N 3.27Å; T306-E308 PolarHBondContact O-N 2.71Å; T306-E309 PolarHBondContact O-N 2.49Å; T306-E309 WeakPolarHBondContact OG1-CB 3.42Å; T306-E309 PolarHBondContact OG1-N 2.79Å; T306-A310 PolarHBondContact O-N 3.01Å
307H92.1Very high92Very high57 Ų5765 Ų6526%0.26431%0.312SS..Hα-helixtrans-54.2-48174.8-170.780000111.3G257 D260 V261 E309 A310 V311G257-H307 VanDerWaalsContact O-CB 3.29Å; G257-H307 WeakPolarHBondContact O-CB 3.42Å; G257-H307 PolarHBondContact O-ND1 2.88Å; D260-H307 PolarHBondContact OD1-N 2.91Å; V261-H307 HydrophobicContact CG2-CB 4.4Å; H307-E309 VanDerWaalsContact C-N 3.32Å; H307-E309 PolarHBondContact O-N 2.76Å; H307-A310 PolarHBondContact O-N 2.83Å; H307-V311 WeakPolarHBondContact O-CG2 3.28Å; H307-V311 PolarHBondContact O-N 2.94Å
308E93.9Very high91.9Very high119 Ų11966.7 Ų66.756%0.55633%0.33SS*.Hα-helixtrans-63.6-38-178.7-173.162.7-157.100112T306 R312T306-E308 VanDerWaalsContact C-N 3.27Å; T306-E308 PolarHBondContact O-N 2.71Å; E308-R312 VanDerWaalsContact O-CB 3.31Å; E308-R312 WeakPolarHBondContact O-CB 3.22Å; E308-R312 PolarHBondContact O-N 3.21Å
309E94.6Very high91.9Very high78 Ų7868 Ų6836%0.36434%0.338SS..Hα-helixtrans-67-44.7175.8-178.6160.2-145.900112.1A305 T306 H307 V311 R312 I313A305-E309 HydrophobicContact CB-CB 4.39Å; A305-E309 HydrophobicContact CB-CG 4.29Å; T306-E309 PolarHBondContact O-N 2.49Å; T306-E309 WeakPolarHBondContact OG1-CB 3.42Å; T306-E309 PolarHBondContact OG1-N 2.79Å; H307-E309 VanDerWaalsContact C-N 3.32Å; H307-E309 PolarHBondContact O-N 2.76Å; E309-V311 PolarHBondContact O-N 3.42Å; E309-R312 WeakPolarHBondContact O-CB 3.28Å; E309-R312 PolarHBondContact O-N 3.04Å; E309-I313 HydrophobicContact CG-CD1 3.72Å; E309-I313 HydrophobicContact CG-CG1 4.48Å; E309-I313 WeakPolarHBondContact O-CB 3.48Å; E309-I313 VanDerWaalsContact O-CG1 3.29Å; E309-I313 WeakPolarHBondContact O-CG1 3.25Å; E309-I313 PolarHBondContact O-N 3.44Å
310A95.1Very high91.9Very high0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-60.7-43.8175.600000112I255 I271 L302 A305 T306 H307 R312 I313 L314I255-A310 HydrophobicContact CD1-CB 3.91Å; I271-A310 HydrophobicContact CD1-CB 3.48Å; I271-A310 VanDerWaalsContact CD1-CB 3.48Å; I271-A310 HydrophobicContact CG1-CB 3.67Å; I271-A310 HydrophobicContact CG2-CB 4.12Å; L302-A310 HydrophobicContact CD1-CB 4.47Å; L302-A310 HydrophobicContact CD2-CB 4.41Å; A305-A310 HydrophobicContact CB-CB 4.48Å; T306-A310 PolarHBondContact O-N 3.01Å; H307-A310 PolarHBondContact O-N 2.83Å; A310-R312 VanDerWaalsContact C-N 3.35Å; A310-R312 PolarHBondContact O-N 2.89Å; A310-I313 PolarHBondContact O-N 2.91Å; A310-L314 WeakPolarHBondContact O-CB 3.4Å; A310-L314 WeakPolarHBondContact O-CG 3.36Å; A310-L314 PolarHBondContact O-N 3.29Å
311V95.2Very high91.8Very high27 Ų2758.8 Ų58.816%0.16429%0.294CS..Hα-helixtrans-59.7-45.6174.4171.80000110.9I255 H307 E309 L314 R315I255-V311 HydrophobicContact CD1-CG2 3.88Å; I255-V311 HydrophobicContact CG1-CG2 4.44Å; H307-V311 WeakPolarHBondContact O-CG2 3.28Å; H307-V311 PolarHBondContact O-N 2.94Å; E309-V311 PolarHBondContact O-N 3.42Å; V311-L314 PolarHBondContact O-N 3.03Å; V311-R315 HydrophobicContact CG1-CG 4.43Å; V311-R315 WeakPolarHBondContact O-CB 3.29Å; V311-R315 VanDerWaalsContact O-CG 3.28Å; V311-R315 WeakPolarHBondContact O-CG 3.41Å; V311-R315 PolarHBondContact O-N 3.44Å
312R95.7Very high91.6Very high122 Ų12256.1 Ų56.146%0.4628%0.279SS..Hα-helixtrans-61.8-44.5179.3-166.5-166.9-44.5139.310.2111.6E308 E309 A310 R315 N316E308-R312 VanDerWaalsContact O-CB 3.31Å; E308-R312 WeakPolarHBondContact O-CB 3.22Å; E308-R312 PolarHBondContact O-N 3.21Å; E309-R312 WeakPolarHBondContact O-CB 3.28Å; E309-R312 PolarHBondContact O-N 3.04Å; A310-R312 VanDerWaalsContact C-N 3.35Å; A310-R312 PolarHBondContact O-N 2.89Å; R312-R315 PolarHBondContact O-N 3.34Å; R312-N316 WeakPolarHBondContact O-CB 3.47Å; R312-N316 VanDerWaalsContact O-CG 3.31Å; R312-N316 PolarHBondContact O-N 3.11Å; R312-N316 PolarHBondContact O-ND2 3.27Å
313I95.6Very high91.6Very high21 Ų2156.1 Ų56.111%0.10828%0.279CS..Hα-helixtrans-62.9-49.3178.9-71.9163.4000110.5V297 I300 L302 E309 A310 R315 N316 A317V297-I313 HydrophobicContact CB-CG2 3.67Å; V297-I313 HydrophobicContact CG1-CG2 3.87Å; V297-I313 HydrophobicContact CG2-CG2 4.25Å; I300-I313 HydrophobicContact CB-CG2 4.45Å; I300-I313 HydrophobicContact CD1-CG2 4.24Å; I300-I313 HydrophobicContact CG2-CD1 3.72Å; I300-I313 HydrophobicContact CG2-CG1 4.41Å; L302-I313 HydrophobicContact CD2-CB 4.44Å; L302-I313 HydrophobicContact CD2-CD1 3.38Å; L302-I313 HydrophobicContact CD2-CG1 4.5Å; L302-I313 HydrophobicContact CD2-CG2 4.38Å; E309-I313 HydrophobicContact CG-CD1 3.72Å; E309-I313 HydrophobicContact CG-CG1 4.48Å; E309-I313 WeakPolarHBondContact O-CB 3.48Å; E309-I313 VanDerWaalsContact O-CG1 3.29Å; E309-I313 WeakPolarHBondContact O-CG1 3.25Å; E309-I313 PolarHBondContact O-N 3.44Å; A310-I313 PolarHBondContact O-N 2.91Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.18Å; I313-N316 CarbonylContact O-C 3.44Å; I313-N316 PolarHBondContact O-N 2.81Å; I313-N316 VanDerWaalsContact O-N 3.17Å; I313-A317 WeakPolarHBondContact O-CB 3.38Å; I313-A317 PolarHBondContact O-N 3.12Å
314L95.1Very high91.8Very high17 Ų1755.6 Ų55.69%0.08928%0.275CS..Hα-helixtrans-62.2-38.1179-74.5167000113.1L251 F253 I255 L294 V297 A310 V311 L323L251-L314 HydrophobicContact CD1-CD2 3.77Å; F253-L314 HydrophobicContact CE2-CD1 4.16Å; F253-L314 HydrophobicContact CE2-CD2 4.42Å; F253-L314 HydrophobicContact CZ-CD2 4.03Å; I255-L314 HydrophobicContact CD1-CD1 3.85Å; I255-L314 HydrophobicContact CG2-CD1 4.07Å; L294-L314 HydrophobicContact CD2-CD1 4.09Å; L294-L314 HydrophobicContact CD2-CD2 4.04Å; L294-L314 HydrophobicContact CD2-CG 4.39Å; V297-L314 HydrophobicContact CG1-CD2 4.25Å; V297-L314 HydrophobicContact CG2-CD2 3.66Å; V297-L314 HydrophobicContact CG2-CG 4.24Å; A310-L314 WeakPolarHBondContact O-CB 3.4Å; A310-L314 WeakPolarHBondContact O-CG 3.36Å; A310-L314 PolarHBondContact O-N 3.29Å; V311-L314 PolarHBondContact O-N 3.03Å; L314-L323 HydrophobicContact CD2-CD2 4.04Å
315R92.1Very high92Very high195 Ų19549.9 Ų49.974%0.73625%0.249SC*.Hα-helixtrans-67-36.8175.8-74.8179.2-178.6-164.54112.2V311 R312 I313V311-R315 HydrophobicContact CG1-CG 4.43Å; V311-R315 WeakPolarHBondContact O-CB 3.29Å; V311-R315 VanDerWaalsContact O-CG 3.28Å; V311-R315 WeakPolarHBondContact O-CG 3.41Å; V311-R315 PolarHBondContact O-N 3.44Å; R312-R315 PolarHBondContact O-N 3.34Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.18Å
316N92.5Very high91.8Very high127 Ų12750 Ų5068%0.67925%0.249SC*.Hα-helixtrans-94.72.2-176.2-65.6-21.3000114.2R312 I313 G318R312-N316 WeakPolarHBondContact O-CB 3.47Å; R312-N316 VanDerWaalsContact O-CG 3.31Å; R312-N316 PolarHBondContact O-N 3.11Å; R312-N316 PolarHBondContact O-ND2 3.27Å; I313-N316 CarbonylContact O-C 3.44Å; I313-N316 PolarHBondContact O-N 2.81Å; I313-N316 VanDerWaalsContact O-N 3.17Å; N316-G318 PolarHBondContact O-N 3.2Å
317A90.1Very high91.4Very high17 Ų1751 Ų5114%0.1425%0.248CC..SBendtrans-65.1-7.8-178.300000114.5V297 N298 I313 V321V297-A317 HydrophobicContact CG1-CB 3.83Å; N298-A317 PolarHBondContact ND2-O 2.86Å; I313-A317 WeakPolarHBondContact O-CB 3.38Å; I313-A317 PolarHBondContact O-N 3.12Å; A317-V321 HydrophobicContact CB-CB 4.37Å; A317-V321 HydrophobicContact CB-CG1 3.9Å; A317-V321 HydrophobicContact CB-CG2 3.69Å
318G90.8Very high90.5Very high37 Ų3754.1 Ų54.138%0.38126%0.262SS..  trans79.4-158.8-177.600000112.9K244 N316K244-G318 WeakPolarHBondContact CD-O 3.19Å; K244-G318 WeakPolarHBondContact CE-O 3.39Å; K244-G318 PolarHBondContact NZ-O 2.97Å; N316-G318 PolarHBondContact O-N 3.2Å
319D89.6Confident88.6Confident71 Ų7154.9 Ų54.938%0.3827%0.266SS..SBendtrans-86-23.6-174.9-63.2-25000112.9R243 K244 S247R243-D319 CarbonylContact C-O 3.15Å; R243-D319 WeakPolarHBondContact CA-O 3.49Å; K244-D319 PolarHBondContact N-O 2.85Å; S247-D319 WeakPolarHBondContact CA-OD1 3.39Å; S247-D319 WeakPolarHBondContact CB-OD1 3.18Å; S247-D319 PolarHBondContact OG-OD1 3.47Å
320I88.3Confident86.4Confident58 Ų5857 Ų5730%0.29728%0.284SS..EExtended strand (participates in β ladder)trans-112117.3176.3-55175000107.2P217 Q241 N298P217-I320 HydrophobicContact CB-CB 4.49Å; P217-I320 HydrophobicContact CB-CD1 3.73Å; P217-I320 HydrophobicContact CB-CG1 3.86Å; P217-I320 HydrophobicContact CB-CG2 3.87Å; P217-I320 HydrophobicContact CG-CD1 4.18Å; P217-I320 HydrophobicContact CG-CG1 4.37Å; Q241-I320 HydrophobicContact CG-CG2 3.76Å; N298-I320 PolarHBondContact ND2-O 3.35Å; N298-I320 PolarHBondContact OD1-O 3.5Å
321V90.5Very high83.6Confident0 Ų063.3 Ų63.30%031%0.313CS..EExtended strand (participates in β ladder)trans-123108-174.1-172.40000109.2Q241 L242 L251 V297 A317 L323Q241-V321 CarbonylContact C-O 3.5Å; Q241-V321 WeakPolarHBondContact CA-O 3.49Å; L242-V321 PolarHBondContact N-O 2.77Å; L242-V321 PolarHBondContact O-N 2.85Å; L251-V321 HydrophobicContact CD1-CG1 4.14Å; L251-V321 HydrophobicContact CD2-CB 4.05Å; L251-V321 HydrophobicContact CD2-CG1 4.43Å; L251-V321 HydrophobicContact CD2-CG2 3.88Å; V297-V321 HydrophobicContact CG1-CG1 3.88Å; A317-V321 HydrophobicContact CB-CB 4.37Å; A317-V321 HydrophobicContact CB-CG1 3.9Å; A317-V321 HydrophobicContact CB-CG2 3.69Å; V321-L323 HydrophobicContact CG1-CD2 3.54Å; V321-L323 HydrophobicContact CG1-CG 4.11Å
322N87.4Confident80.7Confident40 Ų4066.5 Ų66.521%0.21434%0.337CS..EExtended strand (participates in β ladder)trans-86.3125.2170.4-57.6-67.9000108.9Q241 V297 N298Q241-N322 WeakPolarHBondContact CG-OD1 3.46Å; Q241-N322 PolarHBondContact NE2-OD1 2.96Å; V297-N322 CarbonylContact C-O 3.59Å; V297-N322 VanDerWaalsContact CA-O 3.3Å; V297-N322 WeakPolarHBondContact CA-O 3.42Å; N298-N322 PolarHBondContact N-O 3.31Å; N298-N322 WeakPolarHBondContact OD1-CB 3.39Å; N298-N322 PolarHBondContact OD1-N 2.8Å; N298-N322 PolarHBondContact OD1-ND2 3.49Å; N298-N322 VanDerWaalsContact OD1-ND2 3.12Å
323L90.7Very high77.7Confident0 Ų069.6 Ų69.60%035%0.354CS..EExtended strand (participates in β ladder)trans-119.6126.2-178-55.8174.7000108.2E239 V240 L242 F253 I288 L294 Q296 V297 L314 V321 L325E239-L323 CarbonylContact C-O 3.46Å; E239-L323 VanDerWaalsContact CA-O 3.22Å; E239-L323 WeakPolarHBondContact CA-O 3.46Å; E239-L323 WeakPolarHBondContact CG-O 3.27Å; V240-L323 PolarHBondContact N-O 2.82Å; V240-L323 WeakPolarHBondContact O-CB 3.32Å; V240-L323 PolarHBondContact O-N 3.17Å; L242-L323 HydrophobicContact CD1-CD1 4.01Å; L242-L323 HydrophobicContact CG-CD1 4.39Å; F253-L323 HydrophobicContact CE1-CD1 3.73Å; F253-L323 HydrophobicContact CZ-CD1 3.97Å; I288-L323 HydrophobicContact CD1-CD1 3.87Å; L294-L323 HydrophobicContact CD1-CB 3.93Å; L294-L323 HydrophobicContact CD1-CD2 3.87Å; L294-L323 HydrophobicContact CD1-CG 4.4Å; Q296-L323 WeakPolarHBondContact O-CA 3.38Å; V297-L323 HydrophobicContact CG1-CD2 4.32Å; V297-L323 HydrophobicContact CG2-CD2 3.82Å; L314-L323 HydrophobicContact CD2-CD2 4.04Å; V321-L323 HydrophobicContact CG1-CD2 3.54Å; V321-L323 HydrophobicContact CG1-CG 4.11Å; L323-L325 HydrophobicContact CB-CD1 3.69Å; L323-L325 HydrophobicContact CB-CG 4.48Å
324V89.7Confident75Confident14 Ų1475.2 Ų75.29%0.08538%0.384CS..EExtended strand (participates in β ladder)trans-100.9125.1165.7-176.50000107.5W237 Y238 E239 M295 Q296W237-V324 HydrophobicContact CE3-CG1 3.8Å; W237-V324 HydrophobicContact CZ3-CG1 4.15Å; Y238-V324 WeakPolarHBondContact O-CA 3.17Å; E239-V324 HydrophobicContact CG-CG2 4.28Å; M295-V324 HydrophobicContact CB-CG1 4.46Å; M295-V324 PolarHBondContact N-O 3.3Å; Q296-V324 HydrophobicContact CB-CB 3.7Å; Q296-V324 HydrophobicContact CB-CG2 3.82Å; Q296-V324 HydrophobicContact CG-CG2 4.44Å; Q296-V324 PolarHBondContact N-O 2.78Å; Q296-V324 PolarHBondContact O-N 2.88Å
325L90.2Very high72.2Confident0 Ų083.2 Ų83.20%042%0.421CS..EExtended strand (participates in β ladder)trans-123.7158.3-177.2-60.4107.1000110.9W237 Y238 V240 I273 I288 D292 Q293 L294 L323W237-L325 CarbonylContact C-O 3.5Å; W237-L325 WeakPolarHBondContact CA-O 3.2Å; Y238-L325 HydrophobicContact CD1-CB 4.12Å; Y238-L325 HydrophobicContact CD2-CB 4.48Å; Y238-L325 HydrophobicContact CD2-CD1 4.27Å; Y238-L325 HydrophobicContact CE1-CB 3.6Å; Y238-L325 HydrophobicContact CE2-CB 4.01Å; Y238-L325 HydrophobicContact CE2-CD1 3.69Å; Y238-L325 HydrophobicContact CE2-CG 4.35Å; Y238-L325 PolarHBondContact N-O 3.13Å; Y238-L325 PolarHBondContact O-N 2.91Å; V240-L325 HydrophobicContact CB-CD1 4.23Å; V240-L325 HydrophobicContact CG2-CD1 4.1Å; I273-L325 HydrophobicContact CD1-CD2 4.46Å; I273-L325 HydrophobicContact CG1-CD2 4Å; I288-L325 HydrophobicContact CG1-CD1 4.47Å; I288-L325 HydrophobicContact CG2-CD2 4.11Å; D292-L325 HydrophobicContact CB-CD2 3.91Å; Q293-L325 CarbonylContact O-C 3.48Å; Q293-L325 WeakPolarHBondContact O-CA 3.41Å; L294-L325 HydrophobicContact CD1-CD2 4.25Å; L294-L325 HydrophobicContact CD1-CG 4.04Å; L323-L325 HydrophobicContact CB-CD1 3.69Å; L323-L325 HydrophobicContact CB-CG 4.48Å
326T86.5Confident69.7Low6 Ų680 Ų804%0.03743%0.426CS..EExtended strand (participates in β ladder)trans-126.9141.316760.50000111.8P235 I236 W237 D292 Q293 M295P235-T326 HydrophobicContact CB-CG2 4.33Å; I236-T326 CarbonylContact O-C 3.59Å; I236-T326 WeakPolarHBondContact O-CA 3.27Å; W237-T326 HydrophobicContact CB-CG2 4.46Å; W237-T326 HydrophobicContact CD2-CG2 3.18Å; W237-T326 HydrophobicContact CE3-CG2 3.4Å; W237-T326 VanDerWaalsContact CE3-CG2 3.4Å; W237-T326 HydrophobicContact CG-CG2 3.68Å; W237-T326 HydrophobicContact CH2-CG2 3.88Å; W237-T326 HydrophobicContact CZ2-CG2 3.66Å; W237-T326 HydrophobicContact CZ3-CG2 3.75Å; D292-T326 WeakPolarHBondContact CA-O 3.38Å; Q293-T326 WeakPolarHBondContact CB-OG1 3.44Å; Q293-T326 PolarHBondContact N-O 2.95Å; Q293-T326 PolarHBondContact O-N 3.39Å; M295-T326 HydrophobicContact CG-CG2 3.73Å
327R84Confident67Low65 Ų6577 Ų7725%0.24542%0.424CS..EExtended strand (participates in β ladder)trans-116.7128.5173.6-173.8174.5-64.2154.17.8109.9P235 I236 Y238 R287 M289 D292P235-R327 WeakPolarHBondContact CA-O 3.39Å; I236-R327 PolarHBondContact N-O 3.14Å; I236-R327 PolarHBondContact O-N 3.15Å; Y238-R327 HydrophobicContact CE1-CB 4.44Å; R287-R327 PolarHBondContact O-NH2 3.03Å; M289-R327 VanDerWaalsContact CG-NH2 3.3Å; M289-R327 PolarHBondContact SD-NH1 3.13Å; D292-R327 VanDerWaalsContact OD1-CB 3.28Å; D292-R327 WeakPolarHBondContact OD1-CB 3.45Å; D292-R327 VanDerWaalsContact OD1-CG 3.29Å; D292-R327 WeakPolarHBondContact OD1-CG 3.48Å; D292-R327 IonicContact OD1-CZ 3.5Å; D292-R327 IonicContact OD1-NE 2.71Å; D292-R327 PolarHBondContact OD1-NE 3.02Å; D292-R327 IonicContact OD1-NH2 3.4Å; D292-R327 PolarHBondContact OD1-NH2 3.16Å; D292-R327 IonicContact OD2-CZ 3.63Å; D292-R327 IonicContact OD2-NE 3.62Å; D292-R327 IonicContact OD2-NH2 2.76Å; D292-R327 PolarHBondContact OD2-NH2 3.41Å
328Q73.1Confident64.4Low122 Ų12281.3 Ų81.357%0.5745%0.454SS*.  trans-77.8131.5163-69.8-175.5-6.400108.2V330Q328-V330 PolarHBondContact O-N 3.09Å
329Q54.4Low62.1Low135 Ų13587.3 Ų87.363%0.63148%0.476SS*.  trans-69.597.8171.7-168.3173.83.700107.7E331Q329-E331 PolarHBondContact O-N 3.24Å
330V48Very low59.7Low123 Ų12391.6 Ų91.675%0.74549%0.494SS*.  trans-83.6112.5173.3-177.80000107.1Q328 S332Q328-V330 PolarHBondContact O-N 3.09Å; V330-S332 PolarHBondContact O-N 3.33Å
331E37Very low57.4Low133 Ų13396.8 Ų96.862%0.62152%0.517SS*.  trans-58.4118.4167.9-68175.4177.900108.6Q329 F333Q329-E331 PolarHBondContact O-N 3.24Å; E331-F333 PolarHBondContact O-N 2.74Å; E331-F333 VanDerWaalsContact O-N 3.09Å
332S32.8Very low55Low94 Ų94101.1 Ų101.166%0.65755%0.547SS*.  trans-65.7106164.4470000107.9V330 D334V330-S332 PolarHBondContact O-N 3.33Å; S332-D334 PolarHBondContact O-N 2.93Å
333F33.6Very low52.8Low187 Ų187105.2 Ų105.282%0.8257%0.573SS**  trans-69.687.4162.3-75.5-85000108E331 E335E331-F333 PolarHBondContact O-N 2.74Å; E331-F333 VanDerWaalsContact O-N 3.09Å; F333-E335 PolarHBondContact O-N 3.37Å
334D39Very low50.3Low138 Ų138112.5 Ų112.574%0.73861%0.612SS**  trans-67.8119.1164.4-76.5-53.3000108.9S332S332-D334 PolarHBondContact O-N 2.93Å
335E36.7Very low48.1Very low186 Ų186115.7 Ų115.787%0.86964%0.64SS**  trans-56.5124.3175-164-170.1163.800110.4F333 G337F333-E335 PolarHBondContact O-N 3.37Å; E335-G337 PolarHBondContact O-N 3.05Å
336P39.6Very low45.8Very low127 Ų127124.3 Ų124.383%0.82568%0.68SS**  trans-76.2104.1179.528.5-30.7000110.1
337G35.7Very low43.6Very low63 Ų63129.9 Ų129.965%0.64972%0.72SS**  trans-66.3137.2166.800000112.9E335E335-G337 PolarHBondContact O-N 3.05Å
338S34.6Very low41.3Very low109 Ų109133 Ų13376%0.76275%0.746SS**  trans61.5110.6150.558.80000119.8
339L42.8Very low39.8Very low163 Ų163139.1 Ų139.185%0.85376%0.764SS**  -175.6105.8127.9-97.2142.4000112.2
340E38.7Very low39.1Very low161 Ų161141.1 Ų141.175%0.75277%0.77SS**  trans14.8120.2142.7-52.7-177.5160.200120.3
341H41.2Very low38.4Very low167 Ų167146.4 Ų146.477%0.77378%0.779SS**  170.8120112.9-101.3-67000114
342S40.3Very low38.3Very low90 Ų90148.4 Ų148.463%0.62979%0.788SS**  trans62.4109.3132.9-55.70000122.8
343T40.1Very low38.7Very low127 Ų127152 Ų15278%0.77980%0.799SS**  94.2127.6127.1610000122.3
344N38.4Very low38.8Very low153 Ų153148 Ų14882%0.81879%0.794SS**  trans97100.2147.2-74.4-6.6000121.8
345A44Very low39.4Very low81 Ų81146.6 Ų146.667%0.66980%0.795SS**  92.3110.8115.700000121
346E40.5Very low39.7Very low180 Ų180143.6 Ų143.684%0.84179%0.785SS**  trans67.2109.4130.9-63.8-178.1145.200120.9
347S41.6Very low40Very low123 Ų123148.3 Ų148.386%0.8679%0.786SS**  169.9117.8103.6-79.20000113.6
348T36.2Very low40.4Very low130 Ų130154.9 Ų154.980%0.79880%0.797SS**  trans-76.8140.4170.3-46.30000111.4
349R41.8Very low41.1Very low252 Ų252158.1 Ų158.195%0.95181%0.805SS**  trans-164.8131.5141.8-109.6170.5-162.9-1615.9114.6
350K39.5Very low41.8Very low176 Ų176159.3 Ų159.377%0.76583%0.827SS**  trans-67.7156.8177.6-65.4173.9172.1178.90113.6
351Y32.1Very low41.9Very low235 Ų235159.3 Ų159.392%0.92283%0.831SS**  trans-130.5133142.7-88.8-86.4000110.6
352Q36.2Very low41.9Very low174 Ų174158.8 Ų158.881%0.81383%0.834SS**  trans-130.1135.9178.8-163.9-178.731.400105.2
353L39.4Very low42Very low171 Ų171162.7 Ų162.790%0.89585%0.845SS**  trans-155.8136.8161.9-106.6144.5000111.2
354S36.8Very low42.2Very low101 Ų101164.8 Ų164.871%0.70685%0.849SS**  trans-104.4156-159.645.50000113.9
355S51.8Low42.4Very low110 Ų110165.5 Ų165.577%0.76985%0.851SS**  trans-174.9144151.3-83.60000108.3
356N43.4Very low42.3Very low122 Ų122171.1 Ų171.165%0.65286%0.863SS**  cis-169144.8-8.9-119.8-48.9000107.2
357R45.3Very low42.4Very low227 Ų227170.5 Ų170.586%0.85787%0.865SS**  trans56.4121.4148-69.1179.4-143-161.74.5124.2
358K43.9Very low42.5Very low200 Ų200174.2 Ų174.287%0.8787%0.865SS**  trans-52.2147.5148.2-107.9176.7172.5-176.10114
359L49.9Very low43Very low177 Ų177177.8 Ų177.893%0.92787%0.871SS**  179.599.8128.4-96.4158.1000111
360S56Low43.1Very low189 Ų189171.1 Ų171.1100%1.32286%0.863SS**  -173.20126.3-175.90000109

Retrieved 360 of 360 residues in 150.3 ms (Link to these results)

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