A0A096MKM8_PAPAN Loading...

RB binding protein 7, chromatin remodeling factor

AlphaFold DB (Q4R304), UniProt , Accession A0A096MKM8, Species PAPAN (Papio anubis, Olive baboon), Gene RBBP7, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.4Low80.3Confident190 Ų190105.7 Ų105.794%0.93656%0.558SS**  0-63.40-78.8170.8176.500109.2S3 K4 E5M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.83Å; M1-S3 VanDerWaalsContact O-N 3.1Å; M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 WeakPolarHBondContact O-CB 3.29Å; M1-K4 PolarHBondContact O-N 3.46Å; M1-E5 PolarHBondContact O-N 3.45Å
2A73.4Confident81.1Confident64 Ų64106.4 Ų106.453%0.52956%0.556SS.*Hα-helixtrans-48-42.2175.400000115.6K4 M6A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.1Å; A2-M6 WeakPolarHBondContact O-CB 3.32Å; A2-M6 VanDerWaalsContact O-CG 3.23Å; A2-M6 WeakPolarHBondContact O-CG 3.42Å; A2-M6 PolarHBondContact O-N 2.99Å
3S79.4Confident82Confident100 Ų100107.7 Ų107.770%0.69956%0.557SS**Hα-helixtrans-69.3-22.8177.966.10000114.6M1 F7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.83Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-F7 WeakPolarHBondContact O-CB 3.36Å; S3-F7 PolarHBondContact O-N 3.35Å
4K79Confident82.8Confident125 Ų125111.7 Ų111.754%0.54356%0.561SS.*Hα-helixtrans-84-45.3177.7-176.4175.4179.4-670109.8M1 A2 F7 E8M1-K4 WeakPolarHBondContact O-CA 3.47Å; M1-K4 WeakPolarHBondContact O-CB 3.29Å; M1-K4 PolarHBondContact O-N 3.46Å; A2-K4 VanDerWaalsContact C-N 3.28Å; A2-K4 PolarHBondContact O-N 3.1Å; K4-F7 WeakPolarHBondContact O-CB 3.4Å; K4-F7 PolarHBondContact O-N 2.62Å; K4-F7 VanDerWaalsContact O-N 3.17Å; K4-E8 IonicContact NZ-OE1 2.62Å; K4-E8 PolarHBondContact NZ-OE1 2.68Å; K4-E8 IonicContact NZ-OE2 3.57Å; K4-E8 WeakPolarHBondContact O-CG 3.42Å; K4-E8 PolarHBondContact O-N 3Å
5E76.1Confident83.5Confident107 Ų107108.7 Ų108.750%0.555%0.551SS.*Hα-helixtrans-57.9-53.9173.4-72.2157.8-17200110.6M1 F7 E8 D9M1-E5 PolarHBondContact O-N 3.45Å; E5-F7 PolarHBondContact O-N 2.94Å; E5-F7 VanDerWaalsContact O-N 3.09Å; E5-E8 PolarHBondContact O-N 2.9Å; E5-D9 VanDerWaalsContact O-CG 3.23Å; E5-D9 PolarHBondContact O-N 3.06Å
6M78.7Confident84.2Confident129 Ų129103.4 Ų103.464%0.63552%0.524SS*.Hα-helixtrans-56.3-34176.2-72.8-178.571.300113.3A2 T10A2-M6 WeakPolarHBondContact O-CB 3.32Å; A2-M6 VanDerWaalsContact O-CG 3.23Å; A2-M6 WeakPolarHBondContact O-CG 3.42Å; A2-M6 PolarHBondContact O-N 2.99Å; M6-T10 WeakPolarHBondContact O-CB 3.48Å; M6-T10 PolarHBondContact O-N 3.09Å; M6-T10 VanDerWaalsContact O-N 3.14Å; M6-T10 PolarHBondContact O-OG1 2.92Å
7F84.5Confident84.8Confident139 Ų139101.4 Ų101.461%0.6152%0.515SS*.Hα-helixtrans-72.7-41.2177.6179.9-94.4000111.6S3 K4 E5 T10 V11S3-F7 WeakPolarHBondContact O-CB 3.36Å; S3-F7 PolarHBondContact O-N 3.35Å; K4-F7 WeakPolarHBondContact O-CB 3.4Å; K4-F7 PolarHBondContact O-N 2.62Å; K4-F7 VanDerWaalsContact O-N 3.17Å; E5-F7 PolarHBondContact O-N 2.94Å; E5-F7 VanDerWaalsContact O-N 3.09Å; F7-T10 PolarHBondContact O-N 3.05Å; F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 HydrophobicContact CE1-CG2 3.84Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 3.94Å; F7-V11 VanDerWaalsContact O-CG2 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.88Å
8E84.7Confident85.4Confident92 Ų92102.5 Ų102.543%0.4352%0.518SS..Hα-helixtrans-62.4-47.9175.6-74.5169.1169.200110.5K4 E5 T10 V11 E12K4-E8 IonicContact NZ-OE1 2.62Å; K4-E8 PolarHBondContact NZ-OE1 2.68Å; K4-E8 IonicContact NZ-OE2 3.57Å; K4-E8 WeakPolarHBondContact O-CG 3.42Å; K4-E8 PolarHBondContact O-N 3Å; E5-E8 PolarHBondContact O-N 2.9Å; E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.17Å; E8-V11 PolarHBondContact O-N 3.46Å; E8-V11 VanDerWaalsContact O-N 3.09Å; E8-E12 PolarHBondContact O-N 3.28Å
9D85.3Confident85.9Confident95 Ų95100.5 Ų100.551%0.50851%0.507SS..Hα-helixtrans-57.9-42.5176.4-58.9-18.2000111.6E5 V11 E12 E13E5-D9 VanDerWaalsContact O-CG 3.23Å; E5-D9 PolarHBondContact O-N 3.06Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.09Å; D9-E12 PolarHBondContact O-N 3.32Å; D9-E13 WeakPolarHBondContact O-CB 3.46Å; D9-E13 PolarHBondContact O-N 3.41Å
10T88.1Confident86.3Confident58 Ų5897.8 Ų97.836%0.35649%0.49SS..Hα-helixtrans-67-35.5179-560000112.1M6 F7 E8 R14M6-T10 WeakPolarHBondContact O-CB 3.48Å; M6-T10 PolarHBondContact O-N 3.09Å; M6-T10 VanDerWaalsContact O-N 3.14Å; M6-T10 PolarHBondContact O-OG1 2.92Å; F7-T10 PolarHBondContact O-N 3.05Å; E8-T10 VanDerWaalsContact C-N 3.3Å; E8-T10 PolarHBondContact O-N 3.17Å; T10-R14 VanDerWaalsContact O-CG 3.29Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.41Å
11V92Very high86.7Confident64 Ų6499.9 Ų99.939%0.38850%0.496SS..Hα-helixtrans-71-44.1177.51700000109.8F7 E8 D9 R14 V15F7-V11 HydrophobicContact CD1-CG2 4.26Å; F7-V11 HydrophobicContact CE1-CG2 3.84Å; F7-V11 HydrophobicContact CE2-CG2 4.45Å; F7-V11 HydrophobicContact CZ-CG2 3.94Å; F7-V11 VanDerWaalsContact O-CG2 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.37Å; F7-V11 PolarHBondContact O-N 2.88Å; E8-V11 PolarHBondContact O-N 3.46Å; E8-V11 VanDerWaalsContact O-N 3.09Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.09Å; V11-R14 WeakPolarHBondContact O-CB 3.38Å; V11-R14 PolarHBondContact O-N 3.14Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.11Å; V11-V15 VanDerWaalsContact O-N 3.11Å
12E90.3Very high88.3Confident114 Ų11495.7 Ų95.753%0.53348%0.477SS..Hα-helixtrans-58.8-51.6176-175.4170.6-166.800111E8 D9 R14 V15 I16E8-E12 PolarHBondContact O-N 3.28Å; D9-E12 PolarHBondContact O-N 3.32Å; E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.12Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 2.97Å; E12-I16 HydrophobicContact CG-CD1 4.04Å; E12-I16 HydrophobicContact CG-CG1 4.35Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.23Å; E12-I16 PolarHBondContact O-N 3.12Å
13E91.9Very high89.3Confident123 Ų12393.7 Ų93.758%0.57546%0.456SS*.Hα-helixtrans-56-35.1178.3-170.1-175.4-179.700112.5D9 N17D9-E13 WeakPolarHBondContact O-CB 3.46Å; D9-E13 PolarHBondContact O-N 3.41Å; E13-N17 WeakPolarHBondContact O-CB 3.45Å; E13-N17 PolarHBondContact O-N 2.97Å; E13-N17 PolarHBondContact O-ND2 3.32Å
14R93.3Very high90Very high164 Ų16493.5 Ų93.562%0.61944%0.442SS*.Hα-helixtrans-67.4-44.8174.8-74.9173.6-176.9-174.42.7112.3T10 V11 E12 I16 N17 E18T10-R14 VanDerWaalsContact O-CG 3.29Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.41Å; V11-R14 WeakPolarHBondContact O-CB 3.38Å; V11-R14 PolarHBondContact O-N 3.14Å; E12-R14 PolarHBondContact O-N 2.9Å; E12-R14 VanDerWaalsContact O-N 3.12Å; R14-I16 VanDerWaalsContact C-N 3.35Å; R14-N17 PolarHBondContact O-N 3.45Å; R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.04Å
15V94.3Very high90.7Very high66 Ų6695.4 Ų95.440%0.445%0.45SS..Hα-helixtrans-61.2-46.5176.9174.20000110V11 E12 N17 E18 E19V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.11Å; V11-V15 VanDerWaalsContact O-N 3.11Å; E12-V15 WeakPolarHBondContact O-CB 3.38Å; E12-V15 PolarHBondContact O-N 2.97Å; V15-N17 VanDerWaalsContact C-N 3.31Å; V15-N17 PolarHBondContact O-N 3.34Å; V15-E18 PolarHBondContact O-N 2.88Å; V15-E18 VanDerWaalsContact O-N 3.09Å; V15-E19 HydrophobicContact CG1-CG 4.31Å; V15-E19 WeakPolarHBondContact O-CG 3.22Å; V15-E19 PolarHBondContact O-N 3.25Å
16I94.3Very high91.6Very high25 Ų2593.3 Ų93.313%0.12844%0.442CS..Hα-helixtrans-54.9-47.8176.5-64.5-174.3000111.1E12 R14 E18 E19 Y20 T373E12-I16 HydrophobicContact CG-CD1 4.04Å; E12-I16 HydrophobicContact CG-CG1 4.35Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.23Å; E12-I16 PolarHBondContact O-N 3.12Å; R14-I16 VanDerWaalsContact C-N 3.35Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3Å; I16-E19 PolarHBondContact O-N 3.39Å; I16-Y20 WeakPolarHBondContact O-CB 3.49Å; I16-Y20 PolarHBondContact O-N 3.09Å; I16-T373 HydrophobicContact CG2-CG2 3.78Å
17N93.8Very high92.3Very high68 Ų6888 Ų8836%0.36442%0.417SS..Hα-helixtrans-66.9-32.2179.4-80.1-52.5000113.2E13 R14 V15 K21E13-N17 WeakPolarHBondContact O-CB 3.45Å; E13-N17 PolarHBondContact O-N 2.97Å; E13-N17 PolarHBondContact O-ND2 3.32Å; R14-N17 PolarHBondContact O-N 3.45Å; V15-N17 VanDerWaalsContact C-N 3.31Å; V15-N17 PolarHBondContact O-N 3.34Å; N17-K21 WeakPolarHBondContact O-CD 3.38Å; N17-K21 VanDerWaalsContact O-CG 3.22Å; N17-K21 WeakPolarHBondContact O-CG 3.34Å; N17-K21 PolarHBondContact O-N 3.08Å
18E95.8Very high92.6Very high122 Ų12283.6 Ų83.657%0.5740%0.403SS*.Hα-helixtrans-71.3-47.2175.1-75.3178.2-178.400111.6R14 V15 I16 Y20 K21 I22R14-E18 WeakPolarHBondContact O-CG 3.45Å; R14-E18 PolarHBondContact O-N 3.04Å; V15-E18 PolarHBondContact O-N 2.88Å; V15-E18 VanDerWaalsContact O-N 3.09Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3Å; E18-Y20 VanDerWaalsContact C-N 3.31Å; E18-Y20 PolarHBondContact O-N 3.15Å; E18-K21 WeakPolarHBondContact O-CB 3.34Å; E18-K21 PolarHBondContact O-N 3.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.16Å; E18-I22 PolarHBondContact O-N 2.91Å
19E95.2Very high92.9Very high65 Ų6586.3 Ų86.330%0.30441%0.413SS..Hα-helixtrans-55.4-46.5173.2-70.8176.7165.200111.3V15 I16 K21 I22 W23 R339 R340V15-E19 HydrophobicContact CG1-CG 4.31Å; V15-E19 WeakPolarHBondContact O-CG 3.22Å; V15-E19 PolarHBondContact O-N 3.25Å; I16-E19 PolarHBondContact O-N 3.39Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 2.89Å; E19-I22 WeakPolarHBondContact O-CB 3.47Å; E19-I22 PolarHBondContact O-N 2.81Å; E19-I22 VanDerWaalsContact O-N 3.15Å; E19-W23 PolarHBondContact O-N 3.14Å; E19-R339 IonicContact OE1-NH2 2.94Å; E19-R339 IonicContact OE2-CZ 3.99Å; E19-R339 IonicContact OE2-NH1 3.75Å; E19-R339 PolarHBondContact OE2-NH1 3.09Å; E19-R339 VanDerWaalsContact OE2-NH1 3.14Å; E19-R339 IonicContact OE2-NH2 3.28Å; E19-R339 PolarHBondContact OE2-NH2 2.84Å; E19-R340 VanDerWaalsContact CD-NH2 3.35Å; E19-R340 IonicContact OE1-NH2 3.85Å; E19-R340 IonicContact OE2-CZ 3.44Å; E19-R340 IonicContact OE2-NH2 2.98Å; E19-R340 PolarHBondContact OE2-NH2 2.79Å
20Y94.2Very high93.3Very high46 Ų4684.6 Ų84.618%0.1840%0.404CS..Hα-helixtrans-64.8-35.4-179.9-176.3-117.6000112.7I16 E18 W23 K24 G371 T373I16-Y20 WeakPolarHBondContact O-CB 3.49Å; I16-Y20 PolarHBondContact O-N 3.09Å; E18-Y20 VanDerWaalsContact C-N 3.31Å; E18-Y20 PolarHBondContact O-N 3.15Å; Y20-W23 AromaticContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CZ3 4.22Å; Y20-W23 AromaticContact CE2-CE3 3.53Å; Y20-W23 HydrophobicContact CE2-CE3 3.53Å; Y20-W23 AromaticContact CE2-CZ3 3.51Å; Y20-W23 HydrophobicContact CE2-CZ3 3.51Å; Y20-W23 PolarHBondContact O-N 2.8Å; Y20-K24 HydrophobicContact CD1-CD 4.3Å; Y20-K24 HydrophobicContact CE1-CD 3.88Å; Y20-K24 HydrophobicContact CE1-CG 4.41Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 WeakPolarHBondContact O-CG 3.49Å; Y20-K24 PolarHBondContact O-N 2.83Å; Y20-K24 WeakPolarHBondContact OH-CE 3.41Å; Y20-K24 PolarHBondContact OH-NZ 3.17Å; Y20-G371 WeakPolarHBondContact CE2-O 3.31Å; Y20-T373 HydrophobicContact CD1-CG2 4.18Å; Y20-T373 HydrophobicContact CD2-CG2 3.93Å; Y20-T373 HydrophobicContact CG-CG2 3.75Å
21K95Very high93.7Very high141 Ų14182.1 Ų82.161%0.61339%0.388SS*.Hα-helixtrans-66.2-40.3172.6-75.4167.6-173.4170.50111.9N17 E18 E19 K25N17-K21 WeakPolarHBondContact O-CD 3.38Å; N17-K21 VanDerWaalsContact O-CG 3.22Å; N17-K21 WeakPolarHBondContact O-CG 3.34Å; N17-K21 PolarHBondContact O-N 3.08Å; E18-K21 WeakPolarHBondContact O-CB 3.34Å; E18-K21 PolarHBondContact O-N 3.19Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 2.89Å; K21-K25 PolarHBondContact O-N 3.11Å; K21-K25 VanDerWaalsContact O-N 3.09Å
22I94.9Very high93.7Very high103 Ų10382.9 Ų82.953%0.52839%0.39SS..Hα-helixtrans-64-47.5175.9-66.8165.6000109.5E18 E19 K24 K25 N26E18-I22 WeakPolarHBondContact O-CG1 3.16Å; E18-I22 PolarHBondContact O-N 2.91Å; E19-I22 WeakPolarHBondContact O-CB 3.47Å; E19-I22 PolarHBondContact O-N 2.81Å; E19-I22 VanDerWaalsContact O-N 3.15Å; I22-K24 PolarHBondContact O-N 3.49Å; I22-K25 WeakPolarHBondContact O-CB 3.13Å; I22-K25 PolarHBondContact O-N 2.84Å; I22-N26 WeakPolarHBondContact CG2-ND2 3.45Å; I22-N26 PolarHBondContact O-N 3.09Å; I22-N26 VanDerWaalsContact O-N 3.09Å; I22-N26 PolarHBondContact O-ND2 3.18Å; I22-N26 VanDerWaalsContact O-ND2 3.11Å
23W95.5Very high93.8Very high22 Ų2278 Ų788%0.08337%0.367CS..Hα-helixtrans-54.7-53175.1173.281.3000111.1E19 Y20 K25 N26 T27 Y31 V34E19-W23 PolarHBondContact O-N 3.14Å; Y20-W23 AromaticContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CE3 3.76Å; Y20-W23 HydrophobicContact CD2-CZ3 4.22Å; Y20-W23 AromaticContact CE2-CE3 3.53Å; Y20-W23 HydrophobicContact CE2-CE3 3.53Å; Y20-W23 AromaticContact CE2-CZ3 3.51Å; Y20-W23 HydrophobicContact CE2-CZ3 3.51Å; Y20-W23 PolarHBondContact O-N 2.8Å; W23-K25 PolarHBondContact O-N 2.96Å; W23-N26 CarbonylContact O-C 3.5Å; W23-N26 PolarHBondContact O-N 3.19Å; W23-T27 PolarHBondContact O-N 3.47Å; W23-T27 PolarHBondContact O-OG1 3.47Å; W23-Y31 AromaticContact CE2-CE2 3.96Å; W23-Y31 HydrophobicContact CZ2-CE2 4.19Å; W23-Y31 AromaticContact NE1-CE2 3.31Å; W23-Y31 VanDerWaalsContact NE1-CE2 3.31Å; W23-Y31 AromaticContact NE1-CZ 3.44Å; W23-Y31 PolarHBondContact NE1-OH 2.95Å; W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.2Å
24K93.1Very high93.8Very high96 Ų9672.6 Ų72.642%0.41734%0.343SS..Hα-helixtrans-53.3-40177.3-84.4-174.3165.9171.10113.5Y20 I22 N26 T27Y20-K24 HydrophobicContact CD1-CD 4.3Å; Y20-K24 HydrophobicContact CE1-CD 3.88Å; Y20-K24 HydrophobicContact CE1-CG 4.41Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 WeakPolarHBondContact O-CG 3.49Å; Y20-K24 PolarHBondContact O-N 2.83Å; Y20-K24 WeakPolarHBondContact OH-CE 3.41Å; Y20-K24 PolarHBondContact OH-NZ 3.17Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-N26 VanDerWaalsContact C-N 3.33Å; K24-T27 WeakPolarHBondContact CA-OG1 3.45Å; K24-T27 PolarHBondContact O-OG1 3.4Å
25K94.5Very high93.8Very high164 Ų16465.1 Ų65.171%0.71332%0.315SS*.Hα-helixtrans-68.6-34.2179.2-175.3-175.8173.8-168.70111.9K21 I22 W23K21-K25 PolarHBondContact O-N 3.11Å; K21-K25 VanDerWaalsContact O-N 3.09Å; I22-K25 WeakPolarHBondContact O-CB 3.13Å; I22-K25 PolarHBondContact O-N 2.84Å; W23-K25 PolarHBondContact O-N 2.96Å
26N94.2Very high93.8Very high63 Ų6365.3 Ų65.334%0.33732%0.316SS..Hα-helixtrans-91.5-12.7-178.7-67.2-47.8000113.5I22 W23 K24 P28 F29 L30I22-N26 WeakPolarHBondContact CG2-ND2 3.45Å; I22-N26 PolarHBondContact O-N 3.09Å; I22-N26 VanDerWaalsContact O-N 3.09Å; I22-N26 PolarHBondContact O-ND2 3.18Å; I22-N26 VanDerWaalsContact O-ND2 3.11Å; W23-N26 CarbonylContact O-C 3.5Å; W23-N26 PolarHBondContact O-N 3.19Å; K24-N26 VanDerWaalsContact C-N 3.33Å; N26-P28 VanDerWaalsContact C-N 3.28Å; N26-P28 VanDerWaalsContact O-N 3.13Å; N26-F29 PolarHBondContact O-N 2.96Å; N26-L30 HydrophobicContact CB-CD1 3.82Å; N26-L30 HydrophobicContact CB-CG 4.39Å; N26-L30 PolarHBondContact O-N 3.39Å
27T93.4Very high93.7Very high18 Ų1867 Ų6711%0.1132%0.323CS..Hα-helixtrans-44.5-44.8178.7-580000113.9W23 K24 F29 L30 Y31 V34W23-T27 PolarHBondContact O-N 3.47Å; W23-T27 PolarHBondContact O-OG1 3.47Å; K24-T27 WeakPolarHBondContact CA-OG1 3.45Å; K24-T27 PolarHBondContact O-OG1 3.4Å; T27-F29 PolarHBondContact O-N 3.45Å; T27-F29 VanDerWaalsContact O-N 3.09Å; T27-L30 PolarHBondContact O-N 3.34Å; T27-Y31 HydrophobicContact CG2-CD2 3.83Å; T27-Y31 HydrophobicContact CG2-CE2 4.47Å; T27-Y31 PolarHBondContact O-N 2.92Å; T27-V34 HydrophobicContact CG2-CB 4.21Å; T27-V34 HydrophobicContact CG2-CG2 3.72Å
28P90.3Very high93.7Very high46 Ų4667 Ų6730%0.29933%0.334SS..Hα-helixtrans-60.2-20.1179.5-27.338.4000115.9N26 F107N26-P28 VanDerWaalsContact C-N 3.28Å; N26-P28 VanDerWaalsContact O-N 3.13Å; P28-F107 HydrophobicContact CB-CD2 4.48Å; P28-F107 HydrophobicContact CB-CE1 4.45Å; P28-F107 HydrophobicContact CB-CE2 3.59Å; P28-F107 HydrophobicContact CB-CZ 3.58Å; P28-F107 HydrophobicContact CG-CD2 4.34Å; P28-F107 HydrophobicContact CG-CE2 3.61Å; P28-F107 HydrophobicContact CG-CZ 4.13Å
29F92.1Very high93.7Very high150 Ų15062.5 Ų62.566%0.65831%0.313SS*.Hα-helixtrans-102.5-15.5-177.8-53.1-75.8000112.8N26 T27N26-F29 PolarHBondContact O-N 2.96Å; T27-F29 PolarHBondContact O-N 3.45Å; T27-F29 VanDerWaalsContact O-N 3.09Å
30L94.1Very high93.6Very high59 Ų5965.3 Ų65.331%0.30933%0.326SS..Hα-helixtrans-108-15.4-170.3-66.1176.5000113.1N26 T27 F367 A404 I407N26-L30 HydrophobicContact CB-CD1 3.82Å; N26-L30 HydrophobicContact CB-CG 4.39Å; N26-L30 PolarHBondContact O-N 3.39Å; T27-L30 PolarHBondContact O-N 3.34Å; L30-F367 HydrophobicContact CB-CE2 4.16Å; L30-F367 HydrophobicContact CB-CZ 4.25Å; L30-F367 HydrophobicContact CD2-CE2 4.34Å; L30-A404 PolarHBondContact O-N 3.44Å; L30-I407 HydrophobicContact CD2-CD1 4.44Å
31Y94.7Very high93.6Very high5 Ų566 Ų662%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-139.8136.1-172-58.7-89.2000112.1W23 T27 V34 F367 H369 W401 Q402W23-Y31 AromaticContact CE2-CE2 3.96Å; W23-Y31 HydrophobicContact CZ2-CE2 4.19Å; W23-Y31 AromaticContact NE1-CE2 3.31Å; W23-Y31 VanDerWaalsContact NE1-CE2 3.31Å; W23-Y31 AromaticContact NE1-CZ 3.44Å; W23-Y31 PolarHBondContact NE1-OH 2.95Å; T27-Y31 HydrophobicContact CG2-CD2 3.83Å; T27-Y31 HydrophobicContact CG2-CE2 4.47Å; T27-Y31 PolarHBondContact O-N 2.92Å; Y31-V34 HydrophobicContact CD1-CG2 3.63Å; Y31-V34 HydrophobicContact CD2-CG2 3.72Å; Y31-V34 HydrophobicContact CE1-CG2 4.38Å; Y31-V34 HydrophobicContact CE2-CG2 4.44Å; Y31-V34 HydrophobicContact CG-CG2 3.26Å; Y31-F367 HydrophobicContact CD1-CE1 4.45Å; Y31-F367 HydrophobicContact CD1-CZ 4.2Å; Y31-F367 AromaticContact CE1-CE1 3.55Å; Y31-F367 HydrophobicContact CE1-CE1 3.55Å; Y31-F367 AromaticContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE2-CZ 4.12Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.45Å; Y31-F367 VanDerWaalsContact CZ-CZ 3.45Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.45Å; Y31-H369 AromaticContact CE1-ND1 3.56Å; Y31-H369 AromaticContact CZ-ND1 3.58Å; Y31-H369 PolarHBondContact OH-ND1 3.48Å; Y31-W401 HydrophobicContact CD1-CB 4.09Å; Y31-W401 HydrophobicContact CD1-CE3 4.07Å; Y31-W401 HydrophobicContact CE1-CB 4.26Å; Y31-W401 HydrophobicContact CE1-CD2 4.14Å; Y31-W401 AromaticContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CG 4.39Å; Y31-W401 HydrophobicContact CE1-CZ3 4.4Å; Y31-Q402 CarbonylContact C-O 3.56Å; Y31-Q402 WeakPolarHBondContact CA-O 3.36Å; Y31-Q402 WeakPolarHBondContact CB-O 3.08Å
32D92.4Very high93.7Very high80 Ų8060.1 Ų60.143%0.42831%0.305SS..EExtended strand (participates in β ladder)trans-82.2-28167.9-67.8-27.6000111.5Q402 A404 E405D32-Q402 PolarHBondContact N-O 3.24Å; D32-A404 WeakPolarHBondContact OD2-CA 3.34Å; D32-E405 PolarHBondContact OD2-N 3.37Å
33L92.3Very high93.8Very high11 Ų1155.2 Ų55.26%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-137.4130.6176.6179.266.9000109.6M35 I85 P86 V388 I400 W401 Q402L33-M35 HydrophobicContact CD1-CG 4.03Å; L33-M35 HydrophobicContact CD1-SD 4.15Å; L33-I85 HydrophobicContact CD2-CG2 4.06Å; L33-P86 HydrophobicContact CD1-CG 4.22Å; L33-V388 HydrophobicContact CD2-CG1 4.47Å; L33-V388 HydrophobicContact CD2-CG2 4.48Å; L33-I400 HydrophobicContact CD2-CG2 4.25Å; L33-W401 CarbonylContact O-C 3.47Å; L33-W401 WeakPolarHBondContact O-CA 3.18Å; L33-W401 WeakPolarHBondContact O-CB 3.31Å; L33-Q402 HydrophobicContact CB-CB 3.75Å; L33-Q402 PolarHBondContact N-O 2.93Å; L33-Q402 PolarHBondContact O-N 3.21Å
34V93.5Very high94Very high10 Ų1055.5 Ų55.56%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-142.7119.7162.4-176.30000109.6W23 T27 Y31 I400 W401W23-V34 HydrophobicContact CH2-CG1 4.04Å; W23-V34 HydrophobicContact CZ2-CG1 4.2Å; T27-V34 HydrophobicContact CG2-CB 4.21Å; T27-V34 HydrophobicContact CG2-CG2 3.72Å; Y31-V34 HydrophobicContact CD1-CG2 3.63Å; Y31-V34 HydrophobicContact CD2-CG2 3.72Å; Y31-V34 HydrophobicContact CE1-CG2 4.38Å; Y31-V34 HydrophobicContact CE2-CG2 4.44Å; Y31-V34 HydrophobicContact CG-CG2 3.26Å; V34-I400 CarbonylContact C-O 3.59Å; V34-I400 WeakPolarHBondContact CA-O 3.09Å; V34-W401 HydrophobicContact CG2-CB 4.23Å
35M92.5Very high94.2Very high8 Ų850.9 Ų50.94%0.03926%0.263CS..EExtended strand (participates in β ladder)trans-118.4128.1171.4-64169.145.800108.3L33 V83 G112 I114 Q399 I400L33-M35 HydrophobicContact CD1-CG 4.03Å; L33-M35 HydrophobicContact CD1-SD 4.15Å; M35-V83 HydrophobicContact CE-CG1 3.69Å; M35-G112 VanDerWaalsContact CE-C 3.41Å; M35-G112 WeakPolarHBondContact CE-O 3.45Å; M35-I114 HydrophobicContact CE-CD1 4.21Å; M35-I114 HydrophobicContact CE-CG1 4.43Å; M35-Q399 VanDerWaalsContact O-CA 3.27Å; M35-Q399 WeakPolarHBondContact O-CA 3.17Å; M35-I400 HydrophobicContact CB-CB 4.26Å; M35-I400 HydrophobicContact CE-CD1 4.18Å; M35-I400 PolarHBondContact N-O 3.35Å; M35-I400 PolarHBondContact O-N 2.87Å
36T93.2Very high94.4Very high69 Ų6943.1 Ų43.142%0.42323%0.229SC..EExtended strand (participates in β ladder)trans-116.9131.4175.5-540000109.3I397 Q399T36-I397 HydrophobicContact CG2-CG2 3.76Å; T36-Q399 HydrophobicContact CG2-CG 4.3Å
37H93.3Very high94.6Very high60 Ų6041.7 Ų41.728%0.27822%0.22SC..EExtended strand (participates in β ladder)trans-135.8125.3179.7-174-75.8000110.7L39 I114 M398H37-L39 PolarHBondContact O-N 3.09Å; H37-I114 HydrophobicContact CB-CD1 3.31Å; H37-M398 HydrophobicContact CB-CE 4.43Å; H37-M398 PolarHBondContact N-O 2.74Å; H37-M398 PolarHBondContact O-N 3.26Å
38A94Very high94.9Very high70 Ų7040.9 Ų40.958%0.57922%0.215SC*.EExtended strand (participates in β ladder)trans-80.3111.1171.900000109.4I397A38-I397 HydrophobicContact CB-CD1 4.2Å
39L94.4Very high95.3Very high26 Ų2638.8 Ų38.814%0.13620%0.201CC..  trans-70.3153.7169.9-59.8172.5000109.6H37 W41 L67 V392 N396 M398H37-L39 PolarHBondContact O-N 3.09Å; L39-W41 WeakPolarHBondContact CB-O 3.47Å; L39-W41 PolarHBondContact O-N 2.92Å; L39-L67 HydrophobicContact CD2-CD1 4.29Å; L39-V392 HydrophobicContact CD1-CG1 4.47Å; L39-N396 HydrophobicContact CB-CB 4.46Å; L39-N396 WeakPolarHBondContact CB-O 3.46Å; L39-N396 PolarHBondContact N-O 2.92Å; L39-N396 WeakPolarHBondContact O-CB 3.37Å; L39-M398 HydrophobicContact CD1-CB 4.1Å; L39-M398 HydrophobicContact CD2-CB 4.46Å; L39-M398 HydrophobicContact CG-CB 4.13Å
40Q93.2Very high95.5Very high125 Ų12533.7 Ų33.758%0.58418%0.183SC*.SBendtrans-63.6-37.1174-175.9-178-300111.5N396Q40-N396 PolarHBondContact O-ND2 2.86Å
41W94.9Very high95.6Very high61 Ų6135.1 Ų35.123%0.23119%0.188CC..SBendtrans-135.9152.5-179.1-66.5116.1000108.5L39 T71 E74L39-W41 WeakPolarHBondContact CB-O 3.47Å; L39-W41 PolarHBondContact O-N 2.92Å; W41-T71 HydrophobicContact CB-CG2 4.09Å; W41-T71 VanDerWaalsContact CD1-CG2 3.45Å; W41-T71 HydrophobicContact CD2-CG2 3.75Å; W41-T71 HydrophobicContact CE3-CG2 4.47Å; W41-T71 HydrophobicContact CG-CG2 3.5Å; W41-E74 HydrophobicContact CZ2-CB 4.46Å; W41-E74 HydrophobicContact CZ2-CG 3.86Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.4Å; W41-E74 PolarHBondContact NE1-OE2 3.37Å
42P96.7Very high95.6Very high16 Ų1636.8 Ų36.810%0.10420%0.199CC..  trans-64.8154177.227.4-29.7000110.5H70 N396P42-H70 VanDerWaalsContact CD-O 3.27Å; P42-H70 WeakPolarHBondContact CD-O 3.5Å; P42-H70 HydrophobicContact CG-CB 4.29Å; P42-H70 WeakPolarHBondContact CG-O 3.39Å; P42-H70 PolarHBondContact O-N 2.77Å; P42-N396 WeakPolarHBondContact CB-OD1 3.46Å; P42-N396 WeakPolarHBondContact CD-OD1 3.36Å
43S98.1Very high95.8Very high1 Ų135.9 Ų35.91%0.00720%0.196CC..  trans-114.4127.4174.2-168.50000109.2T45 G68 V392S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 3.32Å; S43-T45 PolarHBondContact OG-O 3.35Å; S43-G68 VanDerWaalsContact CA-O 3.28Å; S43-G68 WeakPolarHBondContact CA-O 3.19Å; S43-G68 WeakPolarHBondContact CB-O 3.47Å; S43-G68 PolarHBondContact OG-N 3.48Å; S43-G68 VanDerWaalsContact OG-N 3.09Å; S43-G68 PolarHBondContact OG-O 3.24Å; S43-V392 WeakPolarHBondContact O-CG2 3.2Å
44L98.2Very high95.8Very high27 Ų2741.9 Ų41.914%0.14122%0.222CC..SBendtrans-83-9.3173.1-62.4176000112.4H70 E125L44-H70 HydrophobicContact CD1-CB 4.05Å; L44-H70 HydrophobicContact CG-CB 3.92Å; L44-E125 HydrophobicContact CD1-CB 4.49Å; L44-E125 HydrophobicContact CD1-CG 4.23Å
45T98.6Very high95.7Very high0 Ų043.3 Ų43.30%023%0.231CC..  trans-142.1144.8-173.8-1740000111.2S43 V126 A129 R130 D378S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 3.32Å; S43-T45 PolarHBondContact OG-O 3.35Å; T45-V126 HydrophobicContact CG2-CG1 3.95Å; T45-A129 HydrophobicContact CG2-CB 3.82Å; T45-A129 PolarHBondContact OG1-N 2.86Å; T45-A129 PolarHBondContact OG1-O 3.12Å; T45-R130 PolarHBondContact OG1-NH1 2.62Å; T45-D378 VanDerWaalsContact CA-OD2 3.29Å; T45-D378 WeakPolarHBondContact CA-OD2 3.4Å; T45-D378 PolarHBondContact OG1-OD2 3.29Å
46V98.6Very high95.6Very high0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-147.2136.8168.765.60000110L65 V66 L67 D378 C390 V392V46-L65 HydrophobicContact CG2-CD2 3.81Å; V46-V66 WeakPolarHBondContact CA-O 3.4Å; V46-L67 HydrophobicContact CB-CD2 3.81Å; V46-L67 HydrophobicContact CG2-CD2 3.55Å; V46-D378 HydrophobicContact CG1-CB 4.11Å; V46-D378 PolarHBondContact N-OD2 3.26Å; V46-C390 HydrophobicContact CG2-CB 4.24Å; V46-V392 HydrophobicContact CB-CG1 3.99Å; V46-V392 HydrophobicContact CB-CG2 4Å; V46-V392 HydrophobicContact CG1-CG1 4.27Å; V46-V392 HydrophobicContact CG1-CG2 3.86Å; V46-V392 HydrophobicContact CG2-CG1 4.34Å
47Q98.7Very high95.4Very high33 Ų3353.1 Ų53.115%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-146.6131.3172.3-163.2-177.128.900110.6L65 V66 Y131Q47-L65 CarbonylContact O-C 3.59Å; Q47-L65 WeakPolarHBondContact O-CA 3.31Å; Q47-V66 PolarHBondContact N-O 3.13Å; Q47-V66 PolarHBondContact O-N 3.09Å; Q47-Y131 VanDerWaalsContact CD-CE1 3.46Å; Q47-Y131 HydrophobicContact CG-CD1 4.09Å; Q47-Y131 HydrophobicContact CG-CE1 4.02Å
48W98.6Very high95.2Very high2 Ų254.9 Ų54.91%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-67.5134.7168.1-71102000111.1H63 L65 V83 I85 Y131 S380 N382 P383 V388 C390 I400W48-H63 HydrophobicContact CE3-CB 3.95Å; W48-H63 HydrophobicContact CH2-CB 4.35Å; W48-H63 HydrophobicContact CZ3-CB 3.42Å; W48-H63 VanDerWaalsContact CZ3-CB 3.42Å; W48-L65 HydrophobicContact CB-CD2 4.42Å; W48-L65 HydrophobicContact CD2-CD2 3.39Å; W48-L65 HydrophobicContact CD2-CG 4.2Å; W48-L65 HydrophobicContact CE3-CD2 3.48Å; W48-L65 VanDerWaalsContact CE3-CD2 3.48Å; W48-L65 HydrophobicContact CE3-CG 3.76Å; W48-L65 HydrophobicContact CG-CD2 3.8Å; W48-L65 HydrophobicContact CH2-CD1 4.32Å; W48-L65 HydrophobicContact CH2-CD2 4.24Å; W48-L65 HydrophobicContact CH2-CG 4.24Å; W48-L65 HydrophobicContact CZ2-CD2 4.2Å; W48-L65 HydrophobicContact CZ3-CD1 4.28Å; W48-L65 HydrophobicContact CZ3-CD2 3.88Å; W48-L65 HydrophobicContact CZ3-CG 3.76Å; W48-V83 HydrophobicContact CH2-CB 4.3Å; W48-V83 HydrophobicContact CH2-CG1 4.25Å; W48-V83 HydrophobicContact CH2-CG2 4.15Å; W48-V83 HydrophobicContact CZ3-CB 4.19Å; W48-V83 HydrophobicContact CZ3-CG2 3.99Å; W48-I85 HydrophobicContact CH2-CD1 3.72Å; W48-I85 HydrophobicContact CZ2-CD1 4.42Å; W48-I85 HydrophobicContact CZ3-CD1 4.2Å; W48-Y131 WeakPolarHBondContact O-CE1 3.49Å; W48-S380 VanDerWaalsContact CD1-O 3.22Å; W48-S380 PolarHBondContact N-OG 3.47Å; W48-S380 PolarHBondContact NE1-O 3.01Å; W48-S380 VanDerWaalsContact NE1-O 3.16Å; W48-N382 VanDerWaalsContact CD1-CA 3.47Å; W48-N382 HydrophobicContact CD2-CB 4.2Å; W48-N382 HydrophobicContact CG-CB 4.2Å; W48-P383 VanDerWaalsContact CB-CD 3.41Å; W48-P383 HydrophobicContact CB-CG 4.29Å; W48-V388 HydrophobicContact CZ2-CG1 4.31Å; W48-C390 HydrophobicContact CZ2-CB 3.71Å; W48-C390 VanDerWaalsContact NE1-CB 3.32Å; W48-I400 HydrophobicContact CH2-CD1 3.79Å; W48-I400 HydrophobicContact CH2-CG1 4.19Å; W48-I400 HydrophobicContact CH2-CG2 4.22Å; W48-I400 HydrophobicContact CZ2-CD1 4.11Å; W48-I400 HydrophobicContact CZ2-CG1 3.99Å; W48-I400 HydrophobicContact CZ2-CG2 3.89Å
49L98.2Very high94.9Very high2 Ų254.4 Ų54.41%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-83.4148.6165.2-69.3173.4000109.4E51 W64 V66 V80 Y131 P136 Y153L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.4Å; L49-W64 HydrophobicContact CB-CB 3.89Å; L49-W64 HydrophobicContact CD1-CB 3.93Å; L49-W64 HydrophobicContact CG-CB 4.39Å; L49-W64 PolarHBondContact N-O 3.19Å; L49-V66 HydrophobicContact CD1-CG2 3.97Å; L49-V66 HydrophobicContact CD2-CG2 3.75Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; L49-V80 HydrophobicContact CD1-CG1 3.96Å; L49-Y131 HydrophobicContact CD2-CD1 3.69Å; L49-Y131 HydrophobicContact CD2-CG 3.81Å; L49-P136 HydrophobicContact CD2-CB 4.24Å; L49-Y153 HydrophobicContact CD1-CE1 4.21Å
50P97.2Very high94.8Very high43 Ų4355.4 Ų55.428%0.27929%0.292SS..EExtended strand (participates in β ladder)trans-74.9-14.6-175.430.2-36.1000113.5Y131 P136 N384P50-Y131 HydrophobicContact CG-CE2 4.21Å; P50-P136 HydrophobicContact CG-CB 3.93Å; P50-P136 HydrophobicContact CG-CG 3.47Å; P50-P136 VanDerWaalsContact CG-CG 3.47Å; P50-N384 PolarHBondContact O-ND2 3Å; P50-N384 PolarHBondContact O-OD1 3.15Å
51E95.2Very high94.8Very high89 Ų8949.5 Ų49.542%0.41627%0.265SS..EExtended strand (participates in β ladder)trans-72.8131.7-179.2-172.7179.6161.600111.9L49L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 3.4Å
52V96Very high94.8Very high40 Ų4047.6 Ų47.624%0.24226%0.259CS..EExtended strand (participates in β ladder)trans-130.6132.3173-178.10000109.5K54 A61 L62 H63 N384V52-K54 HydrophobicContact CG1-CG 4.2Å; V52-A61 HydrophobicContact CG1-CB 4.01Å; V52-L62 WeakPolarHBondContact CA-O 3.32Å; V52-H63 VanDerWaalsContact CG2-CE1 3.43Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.32Å; V52-H63 WeakPolarHBondContact CG2-ND1 3.38Å; V52-N384 HydrophobicContact CG2-CB 3.67Å; V52-N384 VanDerWaalsContact CG2-ND2 3.28Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.27Å
53T95.4Very high94.8Very high60 Ų6046.9 Ų46.937%0.36825%0.254SS..EExtended strand (participates in β ladder)trans-111.5126.7171.7-61.40000109.4P55 L62T53-P55 WeakPolarHBondContact O-CD 3.1Å; T53-L62 HydrophobicContact CG2-CD1 4.42Å; T53-L62 PolarHBondContact N-O 3.47Å; T53-L62 WeakPolarHBondContact O-CB 3.44Å; T53-L62 PolarHBondContact O-N 3.32Å
54K92.9Very high94.8Very high138 Ų13848.9 Ų48.960%0.626%0.262SS*.  trans-110.294.9175.8-61.1-170.6179.2-1670109.3V52 A61 E385V52-K54 HydrophobicContact CG1-CG 4.2Å; K54-A61 HydrophobicContact CG-CB 4.04Å; K54-E385 IonicContact NZ-OE1 3.62Å
55P90.9Very high94.8Very high39 Ų3947.6 Ų47.625%0.25326%0.255SS..  trans-66.6134.9-179.4-16.831.1000111.2T53 G57 K58 Y60 L62T53-P55 WeakPolarHBondContact O-CD 3.1Å; P55-G57 PolarHBondContact O-N 3.15Å; P55-K58 HydrophobicContact CB-CB 4.22Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 HydrophobicContact CG-CG 4.43Å; P55-K58 PolarHBondContact O-N 3.32Å; P55-Y60 HydrophobicContact CG-CE2 4.15Å; P55-L62 HydrophobicContact CG-CD1 4.02Å; P55-L62 HydrophobicContact CG-CG 4.33Å
56E90.4Very high94.8Very high197 Ų19747.6 Ų47.692%0.92126%0.255SS*.THydrogen-bonded Turntrans-59.3132.4-178.9-67.8-177173.800112.3K58E56-K58 VanDerWaalsContact C-N 3.26Å; E56-K58 PolarHBondContact O-N 3.39Å
57G88.8Confident94.8Very high86 Ų8647.9 Ų47.989%0.88726%0.256SS*.THydrogen-bonded Turntrans71.116.5177.500000114.7P55P55-G57 PolarHBondContact O-N 3.15Å
58K89.4Confident94.7Very high98 Ų9846.4 Ų46.443%0.42625%0.251SS..  trans-103.6145.3171.7-63.7-57.1-170.5177.40110.9P55 E56 Y60 N87P55-K58 HydrophobicContact CB-CB 4.22Å; P55-K58 HydrophobicContact CB-CG 3.78Å; P55-K58 HydrophobicContact CG-CG 4.43Å; P55-K58 PolarHBondContact O-N 3.32Å; E56-K58 VanDerWaalsContact C-N 3.26Å; E56-K58 PolarHBondContact O-N 3.39Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.81Å; K58-Y60 HydrophobicContact CB-CE2 4.44Å; K58-Y60 HydrophobicContact CB-CG 4.45Å; K58-Y60 HydrophobicContact CD-CE1 3.91Å; K58-Y60 HydrophobicContact CG-CE1 3.97Å; K58-Y60 PolarHBondContact O-N 3.09Å; K58-N87 PolarHBondContact O-ND2 3.07Å
59D89.4Confident94.7Very high60 Ų6047 Ų4732%0.32126%0.255SS..SBendtrans-82.619.9176.156.2-16.8000113.1P86 N87 A90D59-P86 WeakPolarHBondContact O-CA 3.36Å; D59-N87 VanDerWaalsContact C-CG 3.42Å; D59-N87 WeakPolarHBondContact CA-OD1 3.27Å; D59-N87 PolarHBondContact O-N 3.42Å; D59-N87 VanDerWaalsContact O-N 3.12Å; D59-N87 PolarHBondContact O-OD1 2.6Å; D59-A90 HydrophobicContact CB-CB 4.02Å
60Y91.2Very high94.6Very high46 Ų4650.4 Ų50.418%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-148153.5179.962.8-97.1000112.3P55 K58 L62 H84 I85 N87P55-Y60 HydrophobicContact CG-CE2 4.15Å; K58-Y60 HydrophobicContact CB-CD1 4.04Å; K58-Y60 HydrophobicContact CB-CE1 3.81Å; K58-Y60 HydrophobicContact CB-CE2 4.44Å; K58-Y60 HydrophobicContact CB-CG 4.45Å; K58-Y60 HydrophobicContact CD-CE1 3.91Å; K58-Y60 HydrophobicContact CG-CE1 3.97Å; K58-Y60 PolarHBondContact O-N 3.09Å; Y60-L62 HydrophobicContact CD2-CD2 3.86Å; Y60-L62 HydrophobicContact CD2-CG 4.24Å; Y60-L62 HydrophobicContact CE2-CD2 3.62Å; Y60-L62 HydrophobicContact CE2-CG 3.99Å; Y60-H84 HydrophobicContact CD2-CB 4.29Å; Y60-H84 AromaticContact CD2-CD2 3.57Å; Y60-H84 AromaticContact CE2-CD2 3.41Å; Y60-H84 VanDerWaalsContact CE2-CD2 3.41Å; Y60-H84 WeakPolarHBondContact CE2-CD2 3.36Å; Y60-H84 HydrophobicContact CG-CB 4.42Å; Y60-H84 AromaticContact CZ-CD2 3.81Å; Y60-I85 CarbonylContact C-O 3.59Å; Y60-I85 WeakPolarHBondContact CA-O 3.47Å; Y60-I85 VanDerWaalsContact CB-O 3.3Å; Y60-I85 WeakPolarHBondContact CB-O 3.27Å; Y60-N87 PolarHBondContact N-ND2 3.42Å
61A93.2Very high94.4Very high2 Ų248.8 Ų48.82%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-103145.616500000110.4V52 K54 H63 I85V52-A61 HydrophobicContact CG1-CB 4.01Å; K54-A61 HydrophobicContact CG-CB 4.04Å; A61-H63 WeakPolarHBondContact CB-NE2 3.43Å; A61-I85 PolarHBondContact N-O 3.33Å; A61-I85 PolarHBondContact O-N 2.84Å
62L94.9Very high94Very high21 Ų2149.1 Ų49.111%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-96.4113.1175.7-62.1174.7000109.1V52 T53 P55 Y60 R82 V83 H84V52-L62 WeakPolarHBondContact CA-O 3.32Å; T53-L62 HydrophobicContact CG2-CD1 4.42Å; T53-L62 PolarHBondContact N-O 3.47Å; T53-L62 WeakPolarHBondContact O-CB 3.44Å; T53-L62 PolarHBondContact O-N 3.32Å; P55-L62 HydrophobicContact CG-CD1 4.02Å; P55-L62 HydrophobicContact CG-CG 4.33Å; Y60-L62 HydrophobicContact CD2-CD2 3.86Å; Y60-L62 HydrophobicContact CD2-CG 4.24Å; Y60-L62 HydrophobicContact CE2-CD2 3.62Å; Y60-L62 HydrophobicContact CE2-CG 3.99Å; L62-R82 HydrophobicContact CB-CG 4.37Å; L62-R82 HydrophobicContact CD2-CG 4.13Å; L62-V83 WeakPolarHBondContact CA-O 3.43Å; L62-H84 VanDerWaalsContact CD2-CD2 3.45Å; L62-H84 WeakPolarHBondContact CD2-CD2 3.1Å; L62-H84 WeakPolarHBondContact CD2-NE2 3.42Å
63H97Very high93.6Very high0 Ų055.3 Ų55.30%030%0.304CS..EExtended strand (participates in β ladder)trans-107.2163.4174.2-66-109.4000109.7W48 V52 A61 R82 V83 I85 N382 E385W48-H63 HydrophobicContact CE3-CB 3.95Å; W48-H63 HydrophobicContact CH2-CB 4.35Å; W48-H63 HydrophobicContact CZ3-CB 3.42Å; W48-H63 VanDerWaalsContact CZ3-CB 3.42Å; V52-H63 VanDerWaalsContact CG2-CE1 3.43Å; V52-H63 WeakPolarHBondContact CG2-CE1 3.32Å; V52-H63 WeakPolarHBondContact CG2-ND1 3.38Å; A61-H63 WeakPolarHBondContact CB-NE2 3.43Å; H63-R82 CarbonylContact O-C 3.55Å; H63-R82 WeakPolarHBondContact O-CA 3.48Å; H63-V83 HydrophobicContact CB-CB 4.48Å; H63-V83 PolarHBondContact N-O 2.95Å; H63-V83 PolarHBondContact O-N 2.9Å; H63-I85 HydrophobicContact CB-CD1 4.06Å; H63-I85 HydrophobicContact CB-CG1 4.43Å; H63-N382 PolarHBondContact ND1-ND2 3.3Å; H63-E385 IonicContact CE1-OE1 2.86Å
64W97.7Very high93.5Very high43 Ų4357.5 Ų57.516%0.16331%0.309CS..EExtended strand (participates in β ladder)trans-127.6143-176.5-64.986.6000111.4L49 V80 A81 R82 E117L49-W64 HydrophobicContact CB-CB 3.89Å; L49-W64 HydrophobicContact CD1-CB 3.93Å; L49-W64 HydrophobicContact CG-CB 4.39Å; L49-W64 PolarHBondContact N-O 3.19Å; W64-V80 HydrophobicContact CE3-CG1 3.81Å; W64-V80 HydrophobicContact CZ3-CG1 4.23Å; W64-A81 CarbonylContact C-O 3.56Å; W64-A81 WeakPolarHBondContact CA-O 3.21Å; W64-R82 HydrophobicContact CD2-CB 4.4Å; W64-R82 HydrophobicContact CE3-CB 4.15Å; W64-R82 HydrophobicContact CH2-CB 4.5Å; W64-R82 HydrophobicContact CZ3-CB 4.23Å; W64-E117 HydrophobicContact CH2-CB 4.26Å; W64-E117 HydrophobicContact CH2-CG 3.95Å; W64-E117 HydrophobicContact CZ3-CB 3.73Å; W64-E117 HydrophobicContact CZ3-CG 3.69Å
65L98.1Very high93.6Very high0 Ų054.4 Ų54.40%030%0.297CS..EExtended strand (participates in β ladder)trans-124.9144.2179.1-75.4171.5000110.1V46 Q47 W48 L67 V80 A81 V83 C390 M398 I400V46-L65 HydrophobicContact CG2-CD2 3.81Å; Q47-L65 CarbonylContact O-C 3.59Å; Q47-L65 WeakPolarHBondContact O-CA 3.31Å; W48-L65 HydrophobicContact CB-CD2 4.42Å; W48-L65 HydrophobicContact CD2-CD2 3.39Å; W48-L65 HydrophobicContact CD2-CG 4.2Å; W48-L65 HydrophobicContact CE3-CD2 3.48Å; W48-L65 VanDerWaalsContact CE3-CD2 3.48Å; W48-L65 HydrophobicContact CE3-CG 3.76Å; W48-L65 HydrophobicContact CG-CD2 3.8Å; W48-L65 HydrophobicContact CH2-CD1 4.32Å; W48-L65 HydrophobicContact CH2-CD2 4.24Å; W48-L65 HydrophobicContact CH2-CG 4.24Å; W48-L65 HydrophobicContact CZ2-CD2 4.2Å; W48-L65 HydrophobicContact CZ3-CD1 4.28Å; W48-L65 HydrophobicContact CZ3-CD2 3.88Å; W48-L65 HydrophobicContact CZ3-CG 3.76Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L65-V80 CarbonylContact O-C 3.55Å; L65-V80 WeakPolarHBondContact O-CA 3.21Å; L65-A81 PolarHBondContact N-O 3.37Å; L65-A81 PolarHBondContact O-N 2.86Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.93Å; L65-C390 HydrophobicContact CD2-CB 4.15Å; L65-M398 HydrophobicContact CD1-CE 4.04Å; L65-M398 HydrophobicContact CD1-SD 3.83Å; L65-I400 HydrophobicContact CD1-CD1 4.26Å
66V98.4Very high93.9Very high0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-98.5128.6160.7-177.30000108.1V46 Q47 L49 L78 V79 A129 I139V46-V66 WeakPolarHBondContact CA-O 3.4Å; Q47-V66 PolarHBondContact N-O 3.13Å; Q47-V66 PolarHBondContact O-N 3.09Å; L49-V66 HydrophobicContact CD1-CG2 3.97Å; L49-V66 HydrophobicContact CD2-CG2 3.75Å; L49-V66 HydrophobicContact CG-CG2 3.79Å; V66-L78 HydrophobicContact CG1-CD1 3.65Å; V66-V79 WeakPolarHBondContact CA-O 3.39Å; V66-A129 HydrophobicContact CG1-CB 3.67Å; V66-I139 HydrophobicContact CB-CD1 4.43Å; V66-I139 HydrophobicContact CG1-CD1 3.96Å; V66-I139 HydrophobicContact CG1-CG2 4.19Å; V66-I139 HydrophobicContact CG2-CD1 3.52Å; V66-I139 HydrophobicContact CG2-CG1 4.29Å
67L98.3Very high94.2Very high6 Ų645 Ų453%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-131.3162.6178-67.8167.4000109.6L39 V46 L65 V79 A81 V392 M398L39-L67 HydrophobicContact CD2-CD1 4.29Å; V46-L67 HydrophobicContact CB-CD2 3.81Å; V46-L67 HydrophobicContact CG2-CD2 3.55Å; L65-L67 HydrophobicContact CB-CG 4.48Å; L67-V79 HydrophobicContact CB-CB 4.17Å; L67-V79 PolarHBondContact N-O 2.93Å; L67-V79 PolarHBondContact O-N 3.36Å; L67-A81 HydrophobicContact CD1-CB 4.19Å; L67-V392 HydrophobicContact CD2-CG1 3.94Å; L67-M398 HydrophobicContact CD1-SD 3.95Å; L67-M398 HydrophobicContact CD2-SD 4.03Å
68G98Very high94.7Very high3 Ų340.9 Ų40.93%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-121.4156.5172.400000110.6S43S43-G68 VanDerWaalsContact CA-O 3.28Å; S43-G68 WeakPolarHBondContact CA-O 3.19Å; S43-G68 WeakPolarHBondContact CB-O 3.47Å; S43-G68 PolarHBondContact OG-N 3.48Å; S43-G68 VanDerWaalsContact OG-N 3.09Å; S43-G68 PolarHBondContact OG-O 3.24Å
69T97.3Very high95.1Very high15 Ų1536.5 Ų36.59%0.09219%0.189CC..  trans-100.8147.216565.90000110.3N76 H77 V79 E125 V126T69-N76 VanDerWaalsContact C-OD1 3.22Å; T69-N76 PolarHBondContact O-OD1 3.46Å; T69-N76 WeakPolarHBondContact OG1-CA 3.17Å; T69-N76 WeakPolarHBondContact OG1-CB 3.38Å; T69-N76 PolarHBondContact OG1-OD1 3.06Å; T69-H77 HydrophobicContact CG2-CB 4.27Å; T69-H77 PolarHBondContact N-O 3.29Å; T69-H77 VanDerWaalsContact N-O 3.08Å; T69-H77 PolarHBondContact OG1-N 2.61Å; T69-V79 HydrophobicContact CG2-CG2 4.13Å; T69-E125 WeakPolarHBondContact O-CA 3.11Å; T69-V126 PolarHBondContact O-N 3.11Å
70H96Very high95.5Very high72 Ų7233.7 Ų33.733%0.33317%0.174SC..  trans-12688.9165.1176.7-163.8000108.3P42 L44 E125P42-H70 VanDerWaalsContact CD-O 3.27Å; P42-H70 WeakPolarHBondContact CD-O 3.5Å; P42-H70 HydrophobicContact CG-CB 4.29Å; P42-H70 WeakPolarHBondContact CG-O 3.39Å; P42-H70 PolarHBondContact O-N 2.77Å; L44-H70 HydrophobicContact CD1-CB 4.05Å; L44-H70 HydrophobicContact CG-CB 3.92Å; H70-E125 HydrophobicContact CB-CB 3.96Å
71T94.5Very high95.7Very high10 Ų1031.5 Ų31.56%0.06117%0.166CC..  trans-93.3159.3-176.882.10000112.1W41 E74 N76W41-T71 HydrophobicContact CB-CG2 4.09Å; W41-T71 VanDerWaalsContact CD1-CG2 3.45Å; W41-T71 HydrophobicContact CD2-CG2 3.75Å; W41-T71 HydrophobicContact CE3-CG2 4.47Å; W41-T71 HydrophobicContact CG-CG2 3.5Å; T71-E74 HydrophobicContact CG2-CB 4.1Å; T71-E74 WeakPolarHBondContact OG1-CA 3.18Å; T71-E74 PolarHBondContact OG1-N 3.32Å; T71-E74 PolarHBondContact OG1-O 2.51Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.43Å; T71-N76 PolarHBondContact N-OD1 3.38Å
72S86.8Confident95.8Very high96 Ų9634.1 Ų34.167%0.67118%0.175SC*.SBendtrans-86-7.5-178.4-53.10000115.6
73D86.5Confident95.9Very high170 Ų17033.1 Ų33.191%0.90917%0.17SC*.SBendtrans176.310.3176.7-87.5-37.7000111.9
74E93.1Very high95.7Very high105 Ų10534.2 Ų34.249%0.49118%0.175SC..SBendtrans-97.2168.3180-67.6-163.3172.200111.4W41 T71 N76W41-E74 HydrophobicContact CZ2-CB 4.46Å; W41-E74 HydrophobicContact CZ2-CG 3.86Å; W41-E74 WeakPolarHBondContact CZ2-OE2 3.4Å; W41-E74 PolarHBondContact NE1-OE2 3.37Å; T71-E74 HydrophobicContact CG2-CB 4.1Å; T71-E74 WeakPolarHBondContact OG1-CA 3.18Å; T71-E74 PolarHBondContact OG1-N 3.32Å; T71-E74 PolarHBondContact OG1-O 2.51Å; E74-N76 PolarHBondContact O-N 2.81Å
75Q95.7Very high95.5Very high73 Ų7332.4 Ų32.434%0.34117%0.169SC..PPolyproline II helixtrans-61.3122.4171.8-179.856.457.900109.4H77 N121 H122 G164Q75-H77 PolarHBondContact O-CE1 3.27Å; Q75-H77 PolarHBondContact O-ND1 3.25Å; Q75-N121 WeakPolarHBondContact CG-OD1 3.48Å; Q75-H122 PolarHBondContact NE2-O 2.96Å; Q75-G164 PolarHBondContact OE1-O 3.33Å; Q75-G164 VanDerWaalsContact OE1-O 3.13Å
76N97.5Very high95Very high11 Ų1134.2 Ų34.26%0.05918%0.18CC..PPolyproline II helixtrans-82.3153.6174.7-80.4-67.3000111.4T69 T71 E74 H122 G124 E125T69-N76 VanDerWaalsContact C-OD1 3.22Å; T69-N76 PolarHBondContact O-OD1 3.46Å; T69-N76 WeakPolarHBondContact OG1-CA 3.17Å; T69-N76 WeakPolarHBondContact OG1-CB 3.38Å; T69-N76 PolarHBondContact OG1-OD1 3.06Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.43Å; T71-N76 PolarHBondContact N-OD1 3.38Å; E74-N76 PolarHBondContact O-N 2.81Å; N76-H122 PolarHBondContact O-N 2.91Å; N76-G124 VanDerWaalsContact CB-C 3.46Å; N76-G124 WeakPolarHBondContact CB-O 3.48Å; N76-E125 PolarHBondContact ND2-N 3.44Å
77H97.6Very high94.4Very high27 Ų2735.9 Ų35.913%0.12519%0.189CC..EExtended strand (participates in β ladder)trans-138.7141.8-175-55.585.6000112.1T69 Q75 V79 K119 I120 N121T69-H77 HydrophobicContact CG2-CB 4.27Å; T69-H77 PolarHBondContact N-O 3.29Å; T69-H77 VanDerWaalsContact N-O 3.08Å; T69-H77 PolarHBondContact OG1-N 2.61Å; Q75-H77 PolarHBondContact O-CE1 3.27Å; Q75-H77 PolarHBondContact O-ND1 3.25Å; H77-V79 HydrophobicContact CB-CG2 4.01Å; H77-K119 HydrophobicContact CB-CB 4.25Å; H77-I120 CarbonylContact C-O 3.58Å; H77-I120 WeakPolarHBondContact CA-O 3.32Å; H77-N121 PolarHBondContact NE2-OD1 2.93Å
78L98.1Very high93.4Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-78.5127.1154.3174.763.8000107.7V66 K119 I120 A129 I139 T141 F151V66-L78 HydrophobicContact CG1-CD1 3.65Å; L78-K119 WeakPolarHBondContact O-CA 3.33Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.37Å; L78-I120 PolarHBondContact N-O 3.09Å; L78-I120 PolarHBondContact O-N 3.41Å; L78-A129 HydrophobicContact CD1-CB 3.95Å; L78-I139 HydrophobicContact CD1-CG2 4.2Å; L78-I139 HydrophobicContact CD2-CB 4.28Å; L78-I139 HydrophobicContact CD2-CD1 4.38Å; L78-I139 HydrophobicContact CD2-CG2 4.03Å; L78-T141 HydrophobicContact CD1-CG2 3.91Å; L78-T141 HydrophobicContact CD2-CG2 3.99Å; L78-T141 HydrophobicContact CG-CG2 4.44Å; L78-F151 HydrophobicContact CD2-CB 4.2Å; L78-F151 HydrophobicContact CD2-CD2 3.75Å; L78-F151 HydrophobicContact CD2-CE2 4.38Å; L78-F151 HydrophobicContact CD2-CG 4.1Å
79V97.7Very high92.3Very high7 Ų749.6 Ų49.64%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-118.8129.6-173.1-1770000109.8V66 L67 T69 H77 A81 C116 I118 K119V66-V79 WeakPolarHBondContact CA-O 3.39Å; L67-V79 HydrophobicContact CB-CB 4.17Å; L67-V79 PolarHBondContact N-O 2.93Å; L67-V79 PolarHBondContact O-N 3.36Å; T69-V79 HydrophobicContact CG2-CG2 4.13Å; H77-V79 HydrophobicContact CB-CG2 4.01Å; V79-A81 HydrophobicContact CG1-CB 4.46Å; V79-C116 HydrophobicContact CG1-CB 4.2Å; V79-I118 WeakPolarHBondContact CA-O 3.43Å; V79-K119 HydrophobicContact CG1-CG 4.43Å; V79-K119 HydrophobicContact CG2-CG 4.21Å
80V97.6Very high91.3Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-107.6114.2165.7-173.90000107.3L49 W64 L65 E117 I118 I139 Y153L49-V80 HydrophobicContact CD1-CG1 3.96Å; W64-V80 HydrophobicContact CE3-CG1 3.81Å; W64-V80 HydrophobicContact CZ3-CG1 4.23Å; L65-V80 CarbonylContact O-C 3.55Å; L65-V80 WeakPolarHBondContact O-CA 3.21Å; V80-E117 PolarHBondContact O-N 2.93Å; V80-I118 HydrophobicContact CB-CB 4.09Å; V80-I118 HydrophobicContact CB-CD1 4.5Å; V80-I118 HydrophobicContact CG2-CB 4.48Å; V80-I118 PolarHBondContact N-O 2.85Å; V80-I118 PolarHBondContact O-N 2.61Å; V80-I139 HydrophobicContact CG2-CD1 4.17Å; V80-Y153 HydrophobicContact CG2-CD1 4.16Å; V80-Y153 HydrophobicContact CG2-CD2 4.38Å; V80-Y153 HydrophobicContact CG2-CG 4.01Å
81A96.7Very high89.5Confident0 Ų055.1 Ų55.10%029%0.292CS..EExtended strand (participates in β ladder)trans-111.4147.6-175.700000110.9W64 L65 L67 V79 I114 E115W64-A81 CarbonylContact C-O 3.56Å; W64-A81 WeakPolarHBondContact CA-O 3.21Å; L65-A81 PolarHBondContact N-O 3.37Å; L65-A81 PolarHBondContact O-N 2.86Å; L67-A81 HydrophobicContact CD1-CB 4.19Å; V79-A81 HydrophobicContact CG1-CB 4.46Å; A81-I114 HydrophobicContact CB-CG2 4.29Å; A81-E115 CarbonylContact C-O 3.47Å; A81-E115 VanDerWaalsContact CA-O 3.28Å; A81-E115 WeakPolarHBondContact CA-O 3.17Å
82R95.5Very high87.6Confident57 Ų5760.3 Ų60.322%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-103.8137.7173.2-176.317568.4-153-8.6109.9L62 H63 W64 I114 E115 E117L62-R82 HydrophobicContact CB-CG 4.37Å; L62-R82 HydrophobicContact CD2-CG 4.13Å; H63-R82 CarbonylContact O-C 3.55Å; H63-R82 WeakPolarHBondContact O-CA 3.48Å; W64-R82 HydrophobicContact CD2-CB 4.4Å; W64-R82 HydrophobicContact CE3-CB 4.15Å; W64-R82 HydrophobicContact CH2-CB 4.5Å; W64-R82 HydrophobicContact CZ3-CB 4.23Å; R82-I114 CarbonylContact O-C 3.56Å; R82-I114 WeakPolarHBondContact O-CA 3.36Å; R82-E115 IonicContact CZ-OE2 2.97Å; R82-E115 PolarHBondContact N-O 3.36Å; R82-E115 IonicContact NE-OE2 3.03Å; R82-E115 IonicContact NH2-OE2 3.49Å; R82-E115 PolarHBondContact NH2-OE2 3.26Å; R82-E115 PolarHBondContact O-N 3.39Å; R82-E117 HydrophobicContact CB-CG 3.71Å; R82-E117 IonicContact CZ-OE1 3.98Å; R82-E117 IonicContact NE-OE1 3.12Å; R82-E117 IonicContact NH1-OE1 3.58Å; R82-E117 PolarHBondContact NH1-OE1 2.98Å; R82-E117 IonicContact NH2-OE1 3.14Å; R82-E117 PolarHBondContact NH2-OE1 2.67Å
83V95.5Very high85.8Confident0 Ų059.4 Ų59.40%030%0.302CS..EExtended strand (participates in β ladder)trans-121.1133.5-179.4-174.30000109.1M35 W48 L62 H63 L65 I85 I114 I400M35-V83 HydrophobicContact CE-CG1 3.69Å; W48-V83 HydrophobicContact CH2-CB 4.3Å; W48-V83 HydrophobicContact CH2-CG1 4.25Å; W48-V83 HydrophobicContact CH2-CG2 4.15Å; W48-V83 HydrophobicContact CZ3-CB 4.19Å; W48-V83 HydrophobicContact CZ3-CG2 3.99Å; L62-V83 WeakPolarHBondContact CA-O 3.43Å; H63-V83 HydrophobicContact CB-CB 4.48Å; H63-V83 PolarHBondContact N-O 2.95Å; H63-V83 PolarHBondContact O-N 2.9Å; L65-V83 HydrophobicContact CD1-CG2 3.5Å; L65-V83 VanDerWaalsContact CD1-CG2 3.5Å; L65-V83 HydrophobicContact CG-CG2 3.93Å; V83-I85 HydrophobicContact CG1-CG1 3.89Å; V83-I114 HydrophobicContact CB-CG1 4.46Å; V83-I114 HydrophobicContact CG1-CG1 4.13Å; V83-I114 HydrophobicContact CG2-CG1 4.03Å; V83-I400 HydrophobicContact CB-CD1 4.38Å; V83-I400 HydrophobicContact CG1-CD1 3.49Å; V83-I400 VanDerWaalsContact CG1-CD1 3.49Å; V83-I400 HydrophobicContact CG2-CD1 4Å
84H94Very high84.1Confident23 Ų2354.2 Ų54.211%0.10628%0.283CS..EExtended strand (participates in β ladder)trans-93.8109.6169.8-60.160.7000108.5Y60 L62 G112 K113 E115Y60-H84 HydrophobicContact CD2-CB 4.29Å; Y60-H84 AromaticContact CD2-CD2 3.57Å; Y60-H84 AromaticContact CE2-CD2 3.41Å; Y60-H84 VanDerWaalsContact CE2-CD2 3.41Å; Y60-H84 WeakPolarHBondContact CE2-CD2 3.36Å; Y60-H84 HydrophobicContact CG-CB 4.42Å; Y60-H84 AromaticContact CZ-CD2 3.81Å; L62-H84 VanDerWaalsContact CD2-CD2 3.45Å; L62-H84 WeakPolarHBondContact CD2-CD2 3.1Å; L62-H84 WeakPolarHBondContact CD2-NE2 3.42Å; H84-G112 WeakPolarHBondContact O-CA 3.5Å; H84-K113 HydrophobicContact CB-CB 4.48Å; H84-K113 PolarHBondContact N-O 2.94Å; H84-K113 PolarHBondContact ND1-O 3.42Å; H84-E115 IonicContact CE1-OE2 2.81Å
85I92.1Very high81.9Confident6 Ų653.7 Ų53.73%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-101.7129.7174.9-56.7-172.4000107.8L33 W48 Y60 A61 H63 V83 V388L33-I85 HydrophobicContact CD2-CG2 4.06Å; W48-I85 HydrophobicContact CH2-CD1 3.72Å; W48-I85 HydrophobicContact CZ2-CD1 4.42Å; W48-I85 HydrophobicContact CZ3-CD1 4.2Å; Y60-I85 CarbonylContact C-O 3.59Å; Y60-I85 WeakPolarHBondContact CA-O 3.47Å; Y60-I85 VanDerWaalsContact CB-O 3.3Å; Y60-I85 WeakPolarHBondContact CB-O 3.27Å; A61-I85 PolarHBondContact N-O 3.33Å; A61-I85 PolarHBondContact O-N 2.84Å; H63-I85 HydrophobicContact CB-CD1 4.06Å; H63-I85 HydrophobicContact CB-CG1 4.43Å; V83-I85 HydrophobicContact CG1-CG1 3.89Å; I85-V388 HydrophobicContact CD1-CG1 4.42Å
86P89.1Confident79.3Confident37 Ų3757.2 Ų57.224%0.2431%0.307CS..EExtended strand (participates in β ladder)trans-54.9144.5173.3-19.829.9000111.6L33 D59 A90 V110L33-P86 HydrophobicContact CD1-CG 4.22Å; D59-P86 WeakPolarHBondContact O-CA 3.36Å; P86-A90 HydrophobicContact CB-CB 4.08Å; P86-V110 HydrophobicContact CG-CB 4.18Å
87N85Confident76.4Confident35 Ų3559.3 Ų59.319%0.18732%0.322CS..  trans-111-179.6172.666.315.3000110.9K58 D59 Y60 D89 A90K58-N87 PolarHBondContact O-ND2 3.07Å; D59-N87 VanDerWaalsContact C-CG 3.42Å; D59-N87 WeakPolarHBondContact CA-OD1 3.27Å; D59-N87 PolarHBondContact O-N 3.42Å; D59-N87 VanDerWaalsContact O-N 3.12Å; D59-N87 PolarHBondContact O-OD1 2.6Å; Y60-N87 PolarHBondContact N-ND2 3.42Å; N87-D89 PolarHBondContact O-N 3.12Å; N87-D89 VanDerWaalsContact O-N 3.09Å; N87-D89 WeakPolarHBondContact OD1-CB 3.35Å; N87-D89 PolarHBondContact OD1-N 2.9Å; N87-A90 WeakPolarHBondContact O-CB 3.49Å; N87-A90 PolarHBondContact O-N 3.45Å; N87-A90 PolarHBondContact OD1-N 3.3Å
88D77.6Confident73.7Confident173 Ų17362.4 Ų62.493%0.92534%0.339SS*.THydrogen-bonded Turntrans-59.6-20.7-179.8-55.6-26.8000114.4A90D88-A90 VanDerWaalsContact C-N 3.27Å
89D75.2Confident71Confident124 Ų12466.7 Ų66.766%0.66337%0.369SS*.THydrogen-bonded Turntrans-79.5-9.8177.1-66.1-43.7000112.5N87 Q91N87-D89 PolarHBondContact O-N 3.12Å; N87-D89 VanDerWaalsContact O-N 3.09Å; N87-D89 WeakPolarHBondContact OD1-CB 3.35Å; N87-D89 PolarHBondContact OD1-N 2.9Å; D89-Q91 PolarHBondContact O-N 3.11Å
90A74.5Confident68.2Low32 Ų3273 Ų7326%0.26440%0.402SS..  trans-67.4117177.900000111.2D59 P86 N87 D88 F92D59-A90 HydrophobicContact CB-CB 4.02Å; P86-A90 HydrophobicContact CB-CB 4.08Å; N87-A90 WeakPolarHBondContact O-CB 3.49Å; N87-A90 PolarHBondContact O-N 3.45Å; N87-A90 PolarHBondContact OD1-N 3.3Å; D88-A90 VanDerWaalsContact C-N 3.27Å; A90-F92 PolarHBondContact O-N 3.42Å
91Q58.9Low65.7Low172 Ų17280.6 Ų80.680%0.80444%0.435SS*.  trans-75.5123.7172.5-67.6-176.25.200109.9D89 D93D89-Q91 PolarHBondContact O-N 3.11Å; Q91-D93 PolarHBondContact O-N 2.79Å
92F55.4Low62.9Low119 Ų11983.5 Ų83.552%0.52247%0.465SS..  trans-76.2104.5172-169.5-92.2000110A90 A94 F107A90-F92 PolarHBondContact O-N 3.42Å; F92-A94 HydrophobicContact CD1-CB 4.18Å; F92-A94 HydrophobicContact CE1-CB 3.83Å; F92-A94 PolarHBondContact O-N 2.92Å; F92-F107 AromaticContact CE2-CD1 3.66Å; F92-F107 HydrophobicContact CE2-CD1 3.66Å; F92-F107 AromaticContact CE2-CE1 3.81Å; F92-F107 HydrophobicContact CE2-CE1 3.81Å; F92-F107 AromaticContact CZ-CD1 3.82Å; F92-F107 HydrophobicContact CZ-CD1 3.82Å; F92-F107 AromaticContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CE1 3.48Å; F92-F107 VanDerWaalsContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CZ 4.13Å
93D49.3Very low60Low76 Ų7689.1 Ų89.141%0.40649%0.494SS..  trans-91.696.5169.7-167.3-10.4000110.4Q91 S95 H96Q91-D93 PolarHBondContact O-N 2.79Å; D93-S95 PolarHBondContact O-N 2.87Å; D93-S95 VanDerWaalsContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.15Å; D93-S95 PolarHBondContact OD1-N 3.17Å; D93-S95 PolarHBondContact OD1-OG 3.14Å; D93-S95 PolarHBondContact OD2-OG 3.05Å; D93-S95 VanDerWaalsContact OD2-OG 3.12Å; D93-H96 PolarHBondContact O-N 3.01Å
94A49.7Very low57.4Low62 Ų6295 Ų9551%0.51252%0.519SS..G310 helixtrans-60.2-16176.100000113.4F92 H96 C97F92-A94 HydrophobicContact CD1-CB 4.18Å; F92-A94 HydrophobicContact CE1-CB 3.83Å; F92-A94 PolarHBondContact O-N 2.92Å; A94-H96 PolarHBondContact O-N 3.09Å; A94-C97 WeakPolarHBondContact O-CB 3.38Å; A94-C97 PolarHBondContact O-N 3.42Å
95S46.6Very low54.6Low93 Ų9396.7 Ų96.765%0.6554%0.543SS*.G310 helixtrans-72.7-14.6-179.175.70000114.1D93 C97D93-S95 PolarHBondContact O-N 2.87Å; D93-S95 VanDerWaalsContact O-N 3.09Å; D93-S95 WeakPolarHBondContact OD1-CB 3.15Å; D93-S95 PolarHBondContact OD1-N 3.17Å; D93-S95 PolarHBondContact OD1-OG 3.14Å; D93-S95 PolarHBondContact OD2-OG 3.05Å; D93-S95 VanDerWaalsContact OD2-OG 3.12Å; S95-C97 VanDerWaalsContact C-N 3.26Å; S95-C97 PolarHBondContact O-N 3.01Å
96H41.5Very low51.9Low148 Ų14897.8 Ų97.869%0.68556%0.556SS**G310 helixtrans-81.31.1171.3-88.9-65.1000114.1D93 A94 D98D93-H96 PolarHBondContact O-N 3.01Å; A94-H96 PolarHBondContact O-N 3.09Å; H96-D98 PolarHBondContact O-N 2.87Å
97C37.4Very low49.4Very low55 Ų5598.6 Ų98.637%0.37256%0.556SS.*  trans-72.672.6165.8-72.60000110.6A94 S95 S99 F104A94-C97 WeakPolarHBondContact O-CB 3.38Å; A94-C97 PolarHBondContact O-N 3.42Å; S95-C97 VanDerWaalsContact C-N 3.26Å; S95-C97 PolarHBondContact O-N 3.01Å; C97-S99 PolarHBondContact O-N 3.35Å; C97-S99 VanDerWaalsContact O-N 3.08Å; C97-F104 HydrophobicContact CB-CE1 4.4Å
98D39.2Very low47.3Very low92 Ų9298.1 Ų98.149%0.49256%0.559SS.*  trans-78.792.3175.4-153.42.6000108.9H96 D100 K101H96-D98 PolarHBondContact O-N 2.87Å; D98-D100 PolarHBondContact O-N 3.48Å; D98-K101 PolarHBondContact O-N 3.37Å
99S42.1Very low45.4Very low89 Ų8993 Ų9362%0.62254%0.537SS*.THydrogen-bonded Turntrans-55.4-20.2-178.453.60000113.9C97C97-S99 PolarHBondContact O-N 3.35Å; C97-S99 VanDerWaalsContact O-N 3.08Å
100D40.1Very low43.9Very low141 Ų14188.3 Ų88.375%0.75451%0.513SS*.THydrogen-bonded Turntrans-92.3-16.4-167.2-71.10.6000113.8D98D98-D100 PolarHBondContact O-N 3.48Å
101K43.7Very low42.9Very low159 Ų15992.1 Ų92.169%0.69153%0.533SS*.SBendtrans-96.6-3.3-176-82.9-172.3177176.80116.4D98 E103D98-K101 PolarHBondContact O-N 3.37Å; K101-E103 PolarHBondContact O-N 2.89Å
102G38.7Very low43Very low60 Ų6084.8 Ų84.862%0.61950%0.504SS*.SBendtrans61.9-2.7172.100000116.2
103E34.9Very low44.3Very low175 Ų17584.5 Ų84.582%0.81850%0.502SS*.  trans-106.179.2171.6-70.4179.3175.400107.5K101 G105K101-E103 PolarHBondContact O-N 2.89Å; E103-G105 PolarHBondContact O-N 3.01Å
104F39.6Very low46.1Very low123 Ų12381.7 Ų81.754%0.53949%0.487SS..  trans-69.379160.5-81.2-85.6000107.6C97 G106C97-F104 HydrophobicContact CB-CE1 4.4Å; F104-G106 PolarHBondContact O-N 3Å
105G35.7Very low48Very low59 Ų5980.9 Ų80.961%0.60847%0.473SS*.  trans-78.5100.6168.100000108.7E103E103-G105 PolarHBondContact O-N 3.01Å
106G36.6Very low50.1Low30 Ų3079.9 Ų79.931%0.30947%0.465SS..  trans69.4114.1173.700000114.2F104 G108F104-G106 PolarHBondContact O-N 3Å; G106-G108 PolarHBondContact O-N 3.29Å
107F36.4Very low52.5Low54 Ų5475.9 Ų75.924%0.23745%0.446CS..SBendtrans-68.5120.5158.4-133.2-106.3000106.8P28 F92P28-F107 HydrophobicContact CB-CD2 4.48Å; P28-F107 HydrophobicContact CB-CE1 4.45Å; P28-F107 HydrophobicContact CB-CE2 3.59Å; P28-F107 HydrophobicContact CB-CZ 3.58Å; P28-F107 HydrophobicContact CG-CD2 4.34Å; P28-F107 HydrophobicContact CG-CE2 3.61Å; P28-F107 HydrophobicContact CG-CZ 4.13Å; F92-F107 AromaticContact CE2-CD1 3.66Å; F92-F107 HydrophobicContact CE2-CD1 3.66Å; F92-F107 AromaticContact CE2-CE1 3.81Å; F92-F107 HydrophobicContact CE2-CE1 3.81Å; F92-F107 AromaticContact CZ-CD1 3.82Å; F92-F107 HydrophobicContact CZ-CD1 3.82Å; F92-F107 AromaticContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CE1 3.48Å; F92-F107 VanDerWaalsContact CZ-CE1 3.48Å; F92-F107 HydrophobicContact CZ-CZ 4.13Å
108G39.3Very low55.2Low24 Ų2474.4 Ų74.425%0.24744%0.435CS..SBendtrans110134.2-176.300000113.1G106 V110G106-G108 PolarHBondContact O-N 3.29Å; G108-V110 CarbonylContact O-C 3.58Å; G108-V110 PolarHBondContact O-N 2.86Å
109S38.7Very low57.9Low67 Ų6772.7 Ų72.747%0.46942%0.423SS..SBendtrans-58.6-2.5-173.1-172.90000115.9
110V42.8Very low60.6Low24 Ų2468.8 Ų68.815%0.14540%0.395CS..SBendtrans-106105.2173.6-171.80000106.4P86 G108 G112P86-V110 HydrophobicContact CG-CB 4.18Å; G108-V110 CarbonylContact O-C 3.58Å; G108-V110 PolarHBondContact O-N 2.86Å; V110-G112 PolarHBondContact O-N 2.86Å
111T53.6Low63.3Low113 Ų11362.4 Ų62.469%0.69336%0.361SS*.  trans-57.494.3161.453.10000106.3K113T111-K113 PolarHBondContact O-N 2.77Å
112G61.7Low65.9Low18 Ų1854.9 Ų54.919%0.18633%0.328CS..  trans-55.3114.6-174.400000108.4M35 H84 V110M35-G112 VanDerWaalsContact CE-C 3.41Å; M35-G112 WeakPolarHBondContact CE-O 3.45Å; H84-G112 WeakPolarHBondContact O-CA 3.5Å; V110-G112 PolarHBondContact O-N 2.86Å
113K82.2Confident68.6Low113 Ų11355.3 Ų55.349%0.49131%0.314SS..  trans-95.8123.3-168.4-165.5-174.4-172.7-170.50108.6H84 T111 E115H84-K113 HydrophobicContact CB-CB 4.48Å; H84-K113 PolarHBondContact N-O 2.94Å; H84-K113 PolarHBondContact ND1-O 3.42Å; T111-K113 PolarHBondContact O-N 2.77Å; K113-E115 HydrophobicContact CD-CG 3.98Å; K113-E115 WeakPolarHBondContact CD-OE1 3.42Å; K113-E115 WeakPolarHBondContact CE-OE1 2.94Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 3.82Å; K113-E115 PolarHBondContact NZ-OE1 2.79Å
114I86.6Confident71.5Confident17 Ų1748.4 Ų48.49%0.08729%0.289CS..EExtended strand (participates in β ladder)trans-102.4127.2170.9-64.7133.8000108.2M35 H37 A81 R82 V83 M398 I400M35-I114 HydrophobicContact CE-CD1 4.21Å; M35-I114 HydrophobicContact CE-CG1 4.43Å; H37-I114 HydrophobicContact CB-CD1 3.31Å; A81-I114 HydrophobicContact CB-CG2 4.29Å; R82-I114 CarbonylContact O-C 3.56Å; R82-I114 WeakPolarHBondContact O-CA 3.36Å; V83-I114 HydrophobicContact CB-CG1 4.46Å; V83-I114 HydrophobicContact CG1-CG1 4.13Å; V83-I114 HydrophobicContact CG2-CG1 4.03Å; I114-M398 HydrophobicContact CB-CE 4.27Å; I114-M398 HydrophobicContact CD1-CE 3.29Å; I114-M398 HydrophobicContact CG1-CE 3.68Å; I114-M398 HydrophobicContact CG2-CE 3.83Å; I114-I400 HydrophobicContact CD1-CD1 4.28Å; I114-I400 HydrophobicContact CG1-CD1 4.47Å
115E90.9Very high74.2Confident45 Ų4544.8 Ų44.821%0.2127%0.274CS..EExtended strand (participates in β ladder)trans-127.2126.7-178.9-63.7179.114000109.1A81 R82 H84 K113 E117A81-E115 CarbonylContact C-O 3.47Å; A81-E115 VanDerWaalsContact CA-O 3.28Å; A81-E115 WeakPolarHBondContact CA-O 3.17Å; R82-E115 IonicContact CZ-OE2 2.97Å; R82-E115 PolarHBondContact N-O 3.36Å; R82-E115 IonicContact NE-OE2 3.03Å; R82-E115 IonicContact NH2-OE2 3.49Å; R82-E115 PolarHBondContact NH2-OE2 3.26Å; R82-E115 PolarHBondContact O-N 3.39Å; H84-E115 IonicContact CE1-OE2 2.81Å; K113-E115 HydrophobicContact CD-CG 3.98Å; K113-E115 WeakPolarHBondContact CD-OE1 3.42Å; K113-E115 WeakPolarHBondContact CE-OE1 2.94Å; K113-E115 HydrophobicContact CG-CG 3.99Å; K113-E115 IonicContact NZ-OE1 3.82Å; K113-E115 PolarHBondContact NZ-OE1 2.79Å; E115-E117 PolarHBondContact O-N 2.71Å
116C89.6Confident77.2Confident72 Ų7242 Ų4249%0.48625%0.245SC..EExtended strand (participates in β ladder)trans-73.6111.6170.5-640000108.8V79V79-C116 HydrophobicContact CG1-CB 4.2Å
117E91.9Very high80.1Confident63 Ų6340.7 Ų40.729%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-91.6-41.8-178-72.2-68.5147.400111.5W64 V80 R82 E115 A158W64-E117 HydrophobicContact CH2-CB 4.26Å; W64-E117 HydrophobicContact CH2-CG 3.95Å; W64-E117 HydrophobicContact CZ3-CB 3.73Å; W64-E117 HydrophobicContact CZ3-CG 3.69Å; V80-E117 PolarHBondContact O-N 2.93Å; R82-E117 HydrophobicContact CB-CG 3.71Å; R82-E117 IonicContact CZ-OE1 3.98Å; R82-E117 IonicContact NE-OE1 3.12Å; R82-E117 IonicContact NH1-OE1 3.58Å; R82-E117 PolarHBondContact NH1-OE1 2.98Å; R82-E117 IonicContact NH2-OE1 3.14Å; R82-E117 PolarHBondContact NH2-OE1 2.67Å; E115-E117 PolarHBondContact O-N 2.71Å; E117-A158 WeakPolarHBondContact O-CB 3.44Å
118I95.3Very high83.1Confident25 Ų2538.9 Ų38.913%0.12822%0.223CC..EExtended strand (participates in β ladder)trans-130.1131-179.4-51.8174.8000108.8V79 V80 I120 Y153 A158V79-I118 WeakPolarHBondContact CA-O 3.43Å; V80-I118 HydrophobicContact CB-CB 4.09Å; V80-I118 HydrophobicContact CB-CD1 4.5Å; V80-I118 HydrophobicContact CG2-CB 4.48Å; V80-I118 PolarHBondContact N-O 2.85Å; V80-I118 PolarHBondContact O-N 2.61Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.92Å; I118-Y153 HydrophobicContact CD1-CD2 3.57Å; I118-Y153 HydrophobicContact CD1-CE2 4.16Å; I118-A158 WeakPolarHBondContact CA-O 3.19Å
119K96.1Very high85.9Confident56 Ų5637.7 Ų37.724%0.24321%0.211CC..EExtended strand (participates in β ladder)trans-124.8121.8167-60.4-173.1175.8-172.20109.3H77 L78 V79 A158 P160H77-K119 HydrophobicContact CB-CB 4.25Å; L78-K119 WeakPolarHBondContact O-CA 3.33Å; V79-K119 HydrophobicContact CG1-CG 4.43Å; V79-K119 HydrophobicContact CG2-CG 4.21Å; K119-A158 PolarHBondContact N-O 3.32Å; K119-A158 VanDerWaalsContact N-O 3.08Å; K119-P160 HydrophobicContact CB-CG 4.15Å; K119-P160 WeakPolarHBondContact O-CA 3.38Å; K119-P160 WeakPolarHBondContact O-CB 3.15Å
120I97.4Very high88.8Confident6 Ų635.6 Ų35.63%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-108.2128178.2-54175.8000107.4H77 L78 I118 H122 F151 H156H77-I120 CarbonylContact C-O 3.58Å; H77-I120 WeakPolarHBondContact CA-O 3.32Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.37Å; L78-I120 PolarHBondContact N-O 3.09Å; L78-I120 PolarHBondContact O-N 3.41Å; I118-I120 HydrophobicContact CG2-CD1 4.37Å; I118-I120 HydrophobicContact CG2-CG1 3.92Å; I120-H122 PolarHBondContact O-N 2.75Å; I120-F151 HydrophobicContact CD1-CB 4.37Å; I120-F151 HydrophobicContact CG2-CD1 3.79Å; I120-F151 HydrophobicContact CG2-CE1 3.78Å; I120-H156 HydrophobicContact CD1-CB 3.74Å; I120-H156 HydrophobicContact CG1-CB 3.79Å
121N97.6Very high91.5Very high8 Ų836.3 Ų36.34%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-55.8132.7174.3-71.1-27.9000110Q75 H77 P160 D161 G164 E165 C166Q75-N121 WeakPolarHBondContact CG-OD1 3.48Å; H77-N121 PolarHBondContact NE2-OD1 2.93Å; N121-P160 VanDerWaalsContact OD1-CB 3.25Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å; N121-D161 PolarHBondContact ND2-O 3.18Å; N121-G164 VanDerWaalsContact ND2-C 3.31Å; N121-G164 WeakPolarHBondContact ND2-CA 3.41Å; N121-E165 VanDerWaalsContact CB-O 3.3Å; N121-E165 WeakPolarHBondContact CB-O 3.41Å; N121-E165 PolarHBondContact ND2-O 3.06Å; N121-C166 PolarHBondContact O-SG 3.08Å
122H97.6Very high93.6Very high1 Ų131.1 Ų31.11%0.00516%0.161CC..  trans-123.8149.8-178.2-169.8-93.2000111Q75 N76 I120 G124 E125 V126 T141 T143 F151Q75-H122 PolarHBondContact NE2-O 2.96Å; N76-H122 PolarHBondContact O-N 2.91Å; I120-H122 PolarHBondContact O-N 2.75Å; H122-G124 PolarHBondContact ND1-O 2.62Å; H122-G124 PolarHBondContact O-N 2.79Å; H122-E125 PolarHBondContact CE1-O 2.69Å; H122-V126 HydrophobicContact CB-CG2 4.14Å; H122-T141 PolarHBondContact NE2-OG1 3.31Å; H122-T143 VanDerWaalsContact CE1-CG2 3.45Å; H122-T143 WeakPolarHBondContact CE1-CG2 3.46Å; H122-F151 AromaticContact CD2-CE2 3.99Å
123E95.3Very high95.3Very high69 Ų6932.7 Ų32.732%0.32217%0.168SC..SBendtrans-8299.1177.1-76.2172.5-152.500110P144 L149 C166 R171E123-P144 WeakPolarHBondContact O-CD 3.28Å; E123-L149 HydrophobicContact CB-CD1 4.35Å; E123-C166 HydrophobicContact CG-CB 3.57Å; E123-R171 IonicContact OE1-CZ 3.66Å; E123-R171 IonicContact OE1-NH2 3.64Å; E123-R171 PolarHBondContact OE1-NH2 3.2Å; E123-R171 IonicContact OE2-CZ 3.29Å; E123-R171 IonicContact OE2-NH1 2.68Å; E123-R171 IonicContact OE2-NH2 2.76Å; E123-R171 PolarHBondContact OE2-NH2 3.36Å
124G96.2Very high96.1Very high29 Ų2930.8 Ų30.830%0.29916%0.161SC..SBendtrans70.7-173.8-173.600000112.3N76 H122N76-G124 VanDerWaalsContact CB-C 3.46Å; N76-G124 WeakPolarHBondContact CB-O 3.48Å; H122-G124 PolarHBondContact ND1-O 2.62Å; H122-G124 PolarHBondContact O-N 2.79Å
125E97.2Very high96.6Very high48 Ų4832.5 Ų32.522%0.22417%0.17CC..  trans-61.2152.5177.860.7-82.8-169.200112.3L44 T69 H70 N76 H122 N127 P144L44-E125 HydrophobicContact CD1-CB 4.49Å; L44-E125 HydrophobicContact CD1-CG 4.23Å; T69-E125 WeakPolarHBondContact O-CA 3.11Å; H70-E125 HydrophobicContact CB-CB 3.96Å; N76-E125 PolarHBondContact ND2-N 3.44Å; H122-E125 PolarHBondContact CE1-O 2.69Å; E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.37Å; E125-P144 HydrophobicContact CG-CG 3.69Å; E125-P144 WeakPolarHBondContact O-CD 3.33Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 WeakPolarHBondContact OE2-CG 3.4Å
126V98.3Very high96.9Very high0 Ų031.9 Ų31.90%017%0.17CC..  trans-94.991.8-179.8-174.60000108.4T45 T69 H122 R128 A129 T141T45-V126 HydrophobicContact CG2-CG1 3.95Å; T69-V126 PolarHBondContact O-N 3.11Å; H122-V126 HydrophobicContact CB-CG2 4.14Å; V126-R128 PolarHBondContact O-N 3.16Å; V126-A129 HydrophobicContact CG1-CB 3.98Å; V126-T141 HydrophobicContact CG1-CG2 4.05Å
127N98.2Very high97.3Very high2 Ų231.6 Ų31.61%0.01116%0.161CC..SBendtrans-60.7-34.5-177.8-72.20.2000112.5E125 K142 E178 Y180E125-N127 WeakPolarHBondContact CG-OD1 3.47Å; E125-N127 PolarHBondContact O-N 3.37Å; N127-K142 HydrophobicContact CB-CB 3.88Å; N127-K142 PolarHBondContact N-O 3.13Å; N127-K142 VanDerWaalsContact N-O 3.14Å; N127-E178 PolarHBondContact ND2-OE2 2.76Å; N127-Y180 HydrophobicContact CB-CD1 3.76Å; N127-Y180 HydrophobicContact CB-CE1 3.87Å
128R98.7Very high97.6Very high16 Ų1629.9 Ų29.96%0.0615%0.154CC..EExtended strand (participates in β ladder)trans-157.8141.2176.1-163.270.562.2-179.32.3109.9V126 R130 T141 K142 Y180 L182 D378V126-R128 PolarHBondContact O-N 3.16Å; R128-R130 VanDerWaalsContact CD-CZ 3.49Å; R128-R130 HydrophobicContact CG-CG 4.33Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 WeakPolarHBondContact O-CA 3.2Å; R128-K142 HydrophobicContact CB-CB 4.07Å; R128-K142 HydrophobicContact CB-CG 4.07Å; R128-K142 PolarHBondContact O-N 3.09Å; R128-Y180 WeakPolarHBondContact CB-O 3.26Å; R128-Y180 VanDerWaalsContact CG-O 3.26Å; R128-Y180 WeakPolarHBondContact CG-O 3.24Å; R128-Y180 PolarHBondContact NE-O 3.32Å; R128-L182 HydrophobicContact CB-CB 4.26Å; R128-L182 HydrophobicContact CB-CD2 4.5Å; R128-L182 HydrophobicContact CG-CB 3.85Å; R128-L182 HydrophobicContact CG-CD2 4.43Å; R128-D378 VanDerWaalsContact NH1-CG 3.28Å; R128-D378 IonicContact NH1-OD1 3.99Å; R128-D378 PolarHBondContact NH1-OD1 3.03Å; R128-D378 IonicContact NH1-OD2 3.93Å; R128-D378 PolarHBondContact NH1-OD2 3.14Å
129A98.7Very high97.8Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-131.2131.6170.600000109.9T45 V66 L78 V126 I139 A140 T141T45-A129 HydrophobicContact CG2-CB 3.82Å; T45-A129 PolarHBondContact OG1-N 2.86Å; T45-A129 PolarHBondContact OG1-O 3.12Å; V66-A129 HydrophobicContact CG1-CB 3.67Å; L78-A129 HydrophobicContact CD1-CB 3.95Å; V126-A129 HydrophobicContact CG1-CB 3.98Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; A129-A140 WeakPolarHBondContact CA-O 3.35Å; A129-T141 HydrophobicContact CB-CG2 3.91Å
130R98.8Very high97.9Very high22 Ų2226 Ų268%0.08314%0.136CC..EExtended strand (participates in β ladder)trans-138.7134.3177.2-62.9-65.7-179.1-107.214.2111.4T45 R128 I139 A140 L182 W184 D378T45-R130 PolarHBondContact OG1-NH1 2.62Å; R128-R130 VanDerWaalsContact CD-CZ 3.49Å; R128-R130 HydrophobicContact CG-CG 4.33Å; R130-I139 WeakPolarHBondContact O-CA 3.4Å; R130-A140 PolarHBondContact N-O 2.96Å; R130-A140 PolarHBondContact O-N 3.16Å; R130-L182 HydrophobicContact CB-CD2 4.17Å; R130-L182 HydrophobicContact CB-CG 4.5Å; R130-L182 HydrophobicContact CG-CB 4.42Å; R130-L182 HydrophobicContact CG-CD2 4.29Å; R130-L182 HydrophobicContact CG-CG 4.49Å; R130-W184 PolarHBondContact O-NE1 2.71Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.44Å; R130-D378 PolarHBondContact NH1-OD2 2.99Å; R130-D378 IonicContact NH2-OD1 2.69Å; R130-D378 PolarHBondContact NH2-OD1 2.81Å; R130-D378 IonicContact NH2-OD2 2.86Å; R130-D378 PolarHBondContact NH2-OD2 3.08Å
131Y98.6Very high98Very high39 Ų3925.7 Ų25.715%0.15314%0.135CC..EExtended strand (participates in β ladder)trans-81.4151.2174.976-96.2000111.9Q47 W48 L49 P50 P133 P136 I138Q47-Y131 VanDerWaalsContact CD-CE1 3.46Å; Q47-Y131 HydrophobicContact CG-CD1 4.09Å; Q47-Y131 HydrophobicContact CG-CE1 4.02Å; W48-Y131 WeakPolarHBondContact O-CE1 3.49Å; L49-Y131 HydrophobicContact CD2-CD1 3.69Å; L49-Y131 HydrophobicContact CD2-CG 3.81Å; P50-Y131 HydrophobicContact CG-CE2 4.21Å; Y131-P133 WeakPolarHBondContact O-CD 3.38Å; Y131-P136 HydrophobicContact CD2-CB 3.78Å; Y131-P136 HydrophobicContact CD2-CG 4.06Å; Y131-P136 HydrophobicContact CE2-CB 4.31Å; Y131-P136 HydrophobicContact CE2-CG 4.2Å; Y131-P136 HydrophobicContact CG-CB 4.3Å; Y131-I138 CarbonylContact C-O 3.59Å; Y131-I138 VanDerWaalsContact CA-O 3.32Å; Y131-I138 WeakPolarHBondContact CA-O 3.42Å
132M98.5Very high98Very high5 Ų525.3 Ų25.33%0.02513%0.133CC..EExtended strand (participates in β ladder)trans-78.5121.6174.7-175.4175.271.200110.6Q134 N135 I138 W184 G190 I206M132-Q134 VanDerWaalsContact CG-OE1 3.24Å; M132-Q134 PolarHBondContact O-N 2.68Å; M132-Q134 VanDerWaalsContact O-N 3.08Å; M132-N135 HydrophobicContact CE-CB 3.51Å; M132-N135 CarbonylContact O-C 3.58Å; M132-N135 PolarHBondContact O-N 3.13Å; M132-N135 VanDerWaalsContact O-O 3.12Å; M132-I138 HydrophobicContact CB-CB 4.25Å; M132-I138 HydrophobicContact CE-CB 4.41Å; M132-I138 HydrophobicContact CE-CD1 3.69Å; M132-I138 HydrophobicContact CE-CG1 4.4Å; M132-I138 PolarHBondContact N-O 2.98Å; M132-W184 HydrophobicContact CB-CD2 3.78Å; M132-W184 HydrophobicContact CB-CE3 4.01Å; M132-W184 HydrophobicContact CB-CG 4.22Å; M132-W184 HydrophobicContact CB-CH2 4.41Å; M132-W184 HydrophobicContact CB-CZ2 4.15Å; M132-W184 HydrophobicContact CB-CZ3 4.33Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.75Å; M132-W184 HydrophobicContact CG-CG 4.49Å; M132-W184 HydrophobicContact CG-CZ3 4.14Å; M132-W184 HydrophobicContact SD-CE3 4.05Å; M132-W184 HydrophobicContact SD-CH2 4.43Å; M132-W184 HydrophobicContact SD-CZ3 3.88Å; M132-G190 VanDerWaalsContact SD-CA 3.57Å; M132-G190 PolarHBondContact SD-N 2.81Å; M132-I206 HydrophobicContact SD-CD1 4.44Å
133P97.8Very high98Very high51 Ų5125.3 Ų25.333%0.33113%0.132SC..THydrogen-bonded Turntrans-53.2-36.5-174.7-31.137.3000115.1Y131 W184Y131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-W184 VanDerWaalsContact CD-CB 3.45Å; P133-W184 HydrophobicContact CG-CB 4.31Å
134Q98Very high98Very high72 Ų7224 Ų2434%0.33613%0.13SC..THydrogen-bonded Turntrans-82.4-17.9-177.3-53.382.25.800113.4M132 N185 S186M132-Q134 VanDerWaalsContact CG-OE1 3.24Å; M132-Q134 PolarHBondContact O-N 2.68Å; M132-Q134 VanDerWaalsContact O-N 3.08Å; Q134-N185 PolarHBondContact NE2-O 3.39Å; Q134-S186 PolarHBondContact NE2-O 3.44Å
135N97.9Very high98Very high54 Ų5424.7 Ų24.729%0.28913%0.13SC..EExtended strand (participates in β ladder)trans-150.592.3171-1781.8000109.4M132 H137 I138M132-N135 HydrophobicContact CE-CB 3.51Å; M132-N135 CarbonylContact O-C 3.58Å; M132-N135 PolarHBondContact O-N 3.13Å; M132-N135 VanDerWaalsContact O-O 3.12Å; N135-H137 PolarHBondContact O-N 2.75Å; N135-H137 WeakPolarHBondContact OD1-CB 3.44Å; N135-H137 PolarHBondContact OD1-CD2 3.11Å; N135-H137 PolarHBondContact OD1-N 3.44Å; N135-I138 HydrophobicContact CB-CD1 4.38Å; N135-I138 HydrophobicContact CB-CG1 4.4Å; N135-I138 PolarHBondContact O-N 3.41Å
136P97.9Very high98Very high31 Ų3124.1 Ų24.120%0.20113%0.131CC..EExtended strand (participates in β ladder)trans-62.1-12.6-176.3-25.335.1000115.2L49 P50 Y131 I138 Y153L49-P136 HydrophobicContact CD2-CB 4.24Å; P50-P136 HydrophobicContact CG-CB 3.93Å; P50-P136 HydrophobicContact CG-CG 3.47Å; P50-P136 VanDerWaalsContact CG-CG 3.47Å; Y131-P136 HydrophobicContact CD2-CB 3.78Å; Y131-P136 HydrophobicContact CD2-CG 4.06Å; Y131-P136 HydrophobicContact CE2-CB 4.31Å; Y131-P136 HydrophobicContact CE2-CG 4.2Å; Y131-P136 HydrophobicContact CG-CB 4.3Å; P136-I138 PolarHBondContact O-N 2.84Å; P136-Y153 WeakPolarHBondContact O-CE1 2.94Å
137H97.8Very high97.9Very high66 Ų6624.8 Ų24.831%0.30614%0.135SC..EExtended strand (participates in β ladder)trans-67.1-22.5172.3-59.4-35.3000113.3N135 D152 Y153 T154N135-H137 PolarHBondContact O-N 2.75Å; N135-H137 WeakPolarHBondContact OD1-CB 3.44Å; N135-H137 PolarHBondContact OD1-CD2 3.11Å; N135-H137 PolarHBondContact OD1-N 3.44Å; H137-D152 WeakPolarHBondContact O-CA 3.49Å; H137-Y153 HydrophobicContact CB-CE1 4.28Å; H137-Y153 AromaticContact ND1-CE1 3.98Å; H137-Y153 AromaticContact ND1-CE2 3.97Å; H137-Y153 AromaticContact ND1-CZ 3.37Å; H137-Y153 PolarHBondContact ND1-OH 2.91Å; H137-Y153 WeakPolarHBondContact O-CD1 3.14Å; H137-Y153 PolarHBondContact O-N 3.3Å; H137-T154 HydrophobicContact CB-CG2 3.85Å
138I98.3Very high98Very high27 Ų2724.7 Ų24.714%0.13813%0.134CC..EExtended strand (participates in β ladder)trans-92.6120.6179.4-55.4-175.4000109.2Y131 M132 N135 P136 V150 F151 W184 I206Y131-I138 CarbonylContact C-O 3.59Å; Y131-I138 VanDerWaalsContact CA-O 3.32Å; Y131-I138 WeakPolarHBondContact CA-O 3.42Å; M132-I138 HydrophobicContact CB-CB 4.25Å; M132-I138 HydrophobicContact CE-CB 4.41Å; M132-I138 HydrophobicContact CE-CD1 3.69Å; M132-I138 HydrophobicContact CE-CG1 4.4Å; M132-I138 PolarHBondContact N-O 2.98Å; N135-I138 HydrophobicContact CB-CD1 4.38Å; N135-I138 HydrophobicContact CB-CG1 4.4Å; N135-I138 PolarHBondContact O-N 3.41Å; P136-I138 PolarHBondContact O-N 2.84Å; I138-V150 HydrophobicContact CG2-CG1 3.41Å; I138-V150 VanDerWaalsContact CG2-CG1 3.41Å; I138-F151 CarbonylContact C-O 3.57Å; I138-F151 WeakPolarHBondContact CA-O 3.3Å; I138-W184 HydrophobicContact CG2-CH2 4.33Å; I138-W184 HydrophobicContact CG2-CZ2 4.24Å; I138-I206 HydrophobicContact CG2-CD1 4.39Å
139I98.7Very high97.9Very high0 Ų023.9 Ų23.90%013%0.132CC..EExtended strand (participates in β ladder)trans-119.9126.4179.2-60.5169.5000108.7V66 L78 V80 A129 R130 T141 V150 F151 Y153V66-I139 HydrophobicContact CB-CD1 4.43Å; V66-I139 HydrophobicContact CG1-CD1 3.96Å; V66-I139 HydrophobicContact CG1-CG2 4.19Å; V66-I139 HydrophobicContact CG2-CD1 3.52Å; V66-I139 HydrophobicContact CG2-CG1 4.29Å; L78-I139 HydrophobicContact CD1-CG2 4.2Å; L78-I139 HydrophobicContact CD2-CB 4.28Å; L78-I139 HydrophobicContact CD2-CD1 4.38Å; L78-I139 HydrophobicContact CD2-CG2 4.03Å; V80-I139 HydrophobicContact CG2-CD1 4.17Å; A129-I139 HydrophobicContact CB-CG2 4.12Å; R130-I139 WeakPolarHBondContact O-CA 3.4Å; I139-T141 HydrophobicContact CG2-CG2 4.05Å; I139-V150 CarbonylContact O-C 3.58Å; I139-V150 WeakPolarHBondContact O-CA 3.28Å; I139-F151 PolarHBondContact N-O 2.83Å; I139-F151 PolarHBondContact O-N 2.93Å; I139-Y153 HydrophobicContact CD1-CD1 3.56Å; I139-Y153 HydrophobicContact CD1-CE1 4.15Å; I139-Y153 HydrophobicContact CD1-CG 4.49Å; I139-Y153 HydrophobicContact CG1-CD1 4.13Å
140A98.8Very high97.9Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-92.4148.7165.300000109.9A129 R130 V148 L149 V150 L182 W184 L192A129-A140 WeakPolarHBondContact CA-O 3.35Å; R130-A140 PolarHBondContact N-O 2.96Å; R130-A140 PolarHBondContact O-N 3.16Å; A140-V148 HydrophobicContact CB-CG1 4.16Å; A140-L149 CarbonylContact C-O 3.57Å; A140-L149 WeakPolarHBondContact CA-O 3.29Å; A140-V150 HydrophobicContact CB-CG2 4.25Å; A140-L182 HydrophobicContact CB-CD1 4.29Å; A140-L182 HydrophobicContact CB-CD2 3.94Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 VanDerWaalsContact O-CD2 3.28Å; A140-L182 WeakPolarHBondContact O-CD2 3.34Å; A140-W184 HydrophobicContact CB-CH2 4.38Å; A140-W184 HydrophobicContact CB-CZ2 3.43Å; A140-W184 VanDerWaalsContact CB-CZ2 3.43Å; A140-L192 HydrophobicContact CB-CD1 4.06Å; A140-L192 HydrophobicContact CB-CD2 3.59Å
141T98.8Very high97.9Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-138.1139.7-178.253.80000111.7L78 H122 V126 R128 A129 I139 V148 L149 F151L78-T141 HydrophobicContact CD1-CG2 3.91Å; L78-T141 HydrophobicContact CD2-CG2 3.99Å; L78-T141 HydrophobicContact CG-CG2 4.44Å; H122-T141 PolarHBondContact NE2-OG1 3.31Å; V126-T141 HydrophobicContact CG1-CG2 4.05Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 WeakPolarHBondContact O-CA 3.2Å; A129-T141 HydrophobicContact CB-CG2 3.91Å; I139-T141 HydrophobicContact CG2-CG2 4.05Å; T141-V148 WeakPolarHBondContact O-CA 3.44Å; T141-V148 VanDerWaalsContact O-CG1 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.21Å; T141-L149 PolarHBondContact N-O 2.9Å; T141-L149 PolarHBondContact O-N 2.83Å; T141-L149 WeakPolarHBondContact OG1-CB 3.06Å; T141-L149 PolarHBondContact OG1-O 2.94Å; T141-F151 HydrophobicContact CG2-CD2 4.4Å; T141-F151 HydrophobicContact CG2-CE2 4.39Å; T141-F151 WeakPolarHBondContact OG1-CE2 3.22Å
142K98.5Very high97.8Very high0 Ų022.1 Ų22.10%013%0.126CC..EExtended strand (participates in β ladder)trans-87.4143.6165.4-70-68.2-65.2-1680109.4N127 R128 V148 G179 L182 A195N127-K142 HydrophobicContact CB-CB 3.88Å; N127-K142 PolarHBondContact N-O 3.13Å; N127-K142 VanDerWaalsContact N-O 3.14Å; R128-K142 HydrophobicContact CB-CB 4.07Å; R128-K142 HydrophobicContact CB-CG 4.07Å; R128-K142 PolarHBondContact O-N 3.09Å; K142-V148 HydrophobicContact CD-CG2 3.99Å; K142-G179 WeakPolarHBondContact CB-O 3.32Å; K142-G179 WeakPolarHBondContact CE-O 3.22Å; K142-L182 HydrophobicContact CD-CD1 4.36Å; K142-L182 HydrophobicContact CG-CB 4.22Å; K142-L182 HydrophobicContact CG-CD1 4.3Å; K142-L182 HydrophobicContact CG-CD2 4.46Å; K142-A195 PolarHBondContact NZ-O 3.43Å
143T96.2Very high97.7Very high0 Ų022.6 Ų22.60%013%0.128CC..  trans-122.2169-179.874.60000109H122 S145 D147 L149 E178H122-T143 VanDerWaalsContact CE1-CG2 3.45Å; H122-T143 WeakPolarHBondContact CE1-CG2 3.46Å; T143-S145 PolarHBondContact O-N 2.97Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 WeakPolarHBondContact OG1-CB 3.35Å; T143-S145 PolarHBondContact OG1-N 3.17Å; T143-S145 VanDerWaalsContact OG1-N 3.07Å; T143-S145 PolarHBondContact OG1-O 2.83Å; T143-S145 PolarHBondContact OG1-OG 3.02Å; T143-D147 PolarHBondContact OG1-O 2.84Å; T143-L149 HydrophobicContact CG2-CD1 3.75Å; T143-L149 HydrophobicContact CG2-CG 3.67Å; T143-E178 WeakPolarHBondContact O-CB 3.22Å
144P96.5Very high97.6Very high41 Ų4123.9 Ų23.927%0.26614%0.135SC..SBendtrans-72.92.7170.5-13.932.7000112.4E123 E125E123-P144 WeakPolarHBondContact O-CD 3.28Å; E125-P144 HydrophobicContact CG-CG 3.69Å; E125-P144 WeakPolarHBondContact O-CD 3.33Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 WeakPolarHBondContact OE2-CG 3.4Å
145S95.9Very high97.4Very high44 Ų4427.2 Ų27.231%0.30815%0.148SC..SBendtrans-103.4179.317384.50000111T143 D147 E178T143-S145 PolarHBondContact O-N 2.97Å; T143-S145 VanDerWaalsContact O-N 3.15Å; T143-S145 WeakPolarHBondContact OG1-CB 3.35Å; T143-S145 PolarHBondContact OG1-N 3.17Å; T143-S145 VanDerWaalsContact OG1-N 3.07Å; T143-S145 PolarHBondContact OG1-O 2.83Å; T143-S145 PolarHBondContact OG1-OG 3.02Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact O-N 3.19Å; S145-D147 PolarHBondContact OG-N 2.85Å; S145-E178 WeakPolarHBondContact O-CA 3.44Å
146S96.9Very high97.2Very high36 Ų3626.3 Ų26.325%0.25214%0.142SC..SBendtrans-70.3-24.4179.359.20000114.9H175 K177S146-H175 WeakPolarHBondContact CB-O 3.44Å; S146-H175 WeakPolarHBondContact O-CB 3.35Å; S146-K177 WeakPolarHBondContact CA-O 3.22Å
147D97.2Very high96.8Very high14 Ų1428.8 Ų28.88%0.07516%0.159CC..PPolyproline II helixtrans-90.2146.7-168.3-65.8-11.1000111.7T143 S145 L149 R171T143-D147 PolarHBondContact OG1-O 2.84Å; S145-D147 VanDerWaalsContact C-N 3.32Å; S145-D147 PolarHBondContact O-N 3.19Å; S145-D147 PolarHBondContact OG-N 2.85Å; D147-L149 HydrophobicContact CB-CD2 4.43Å; D147-R171 HydrophobicContact CB-CG 3.89Å; D147-R171 WeakPolarHBondContact OD2-CD 3.14Å; D147-R171 VanDerWaalsContact OD2-CG 3.29Å; D147-R171 WeakPolarHBondContact OD2-CG 3.19Å; D147-R171 IonicContact OD2-CZ 3.81Å; D147-R171 IonicContact OD2-NE 3.87Å; D147-R171 IonicContact OD2-NH1 3.53Å; D147-R171 PolarHBondContact OD2-NH1 2.97Å
148V98.5Very high96.5Very high0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans-93.1129.3167.7-176.20000107.9A140 T141 K142 L172 L182 L192 W204A140-V148 HydrophobicContact CB-CG1 4.16Å; T141-V148 WeakPolarHBondContact O-CA 3.44Å; T141-V148 VanDerWaalsContact O-CG1 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.21Å; K142-V148 HydrophobicContact CD-CG2 3.99Å; V148-L172 HydrophobicContact CB-CB 4.06Å; V148-L172 HydrophobicContact CB-CD1 4.15Å; V148-L172 HydrophobicContact CB-CG 4.31Å; V148-L172 HydrophobicContact CG1-CD1 4.1Å; V148-L172 PolarHBondContact N-O 2.99Å; V148-L172 VanDerWaalsContact N-O 3.13Å; V148-L172 PolarHBondContact O-N 3.35Å; V148-L182 HydrophobicContact CG1-CD1 3.95Å; V148-L192 HydrophobicContact CG1-CD2 3.93Å; V148-W204 HydrophobicContact CG2-CH2 3.83Å; V148-W204 HydrophobicContact CG2-CZ2 4.47Å; V148-W204 HydrophobicContact CG2-CZ3 4.2Å
149L98.5Very high96.3Very high0 Ų035.5 Ų35.50%020%0.197CC..EExtended strand (participates in β ladder)trans-102136.4179.6-53.3-174000110.1E123 A140 T141 T143 D147 F151 P168 R171E123-L149 HydrophobicContact CB-CD1 4.35Å; A140-L149 CarbonylContact C-O 3.57Å; A140-L149 WeakPolarHBondContact CA-O 3.29Å; T141-L149 PolarHBondContact N-O 2.9Å; T141-L149 PolarHBondContact O-N 2.83Å; T141-L149 WeakPolarHBondContact OG1-CB 3.06Å; T141-L149 PolarHBondContact OG1-O 2.94Å; T143-L149 HydrophobicContact CG2-CD1 3.75Å; T143-L149 HydrophobicContact CG2-CG 3.67Å; D147-L149 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 3.94Å; L149-F151 HydrophobicContact CD1-CE2 4.34Å; L149-F151 HydrophobicContact CD1-CZ 4.04Å; L149-P168 HydrophobicContact CB-CB 4.01Å; L149-P168 HydrophobicContact CD1-CB 4.49Å; L149-P168 HydrophobicContact CD1-CG 4.44Å; L149-P168 HydrophobicContact CD2-CB 4.28Å; L149-P168 HydrophobicContact CD2-CG 4Å; L149-P168 HydrophobicContact CG-CB 4.48Å; L149-R171 HydrophobicContact CD2-CB 4.4Å; L149-R171 HydrophobicContact CD2-CG 4.17Å
150V98.3Very high95.9Very high4 Ų437.5 Ų37.52%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-117.1131.7176.8-176.60000109.2I138 I139 A140 D169 L170 L172I138-V150 HydrophobicContact CG2-CG1 3.41Å; I138-V150 VanDerWaalsContact CG2-CG1 3.41Å; I139-V150 CarbonylContact O-C 3.58Å; I139-V150 WeakPolarHBondContact O-CA 3.28Å; A140-V150 HydrophobicContact CB-CG2 4.25Å; V150-D169 WeakPolarHBondContact O-CA 3.46Å; V150-D169 WeakPolarHBondContact O-CB 3.16Å; V150-D169 PolarHBondContact O-N 2.79Å; V150-L170 HydrophobicContact CB-CB 4.05Å; V150-L170 HydrophobicContact CG2-CB 4.43Å; V150-L170 PolarHBondContact N-O 3.35Å; V150-L170 PolarHBondContact O-N 2.87Å; V150-L170 VanDerWaalsContact O-N 3.1Å; V150-L172 HydrophobicContact CG2-CD1 3.74Å; V150-L172 HydrophobicContact CG2-CD2 4.12Å; V150-L172 HydrophobicContact CG2-CG 3.87Å
151F98.1Very high95.5Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-124.5136.3179.9-58.6-91000109.8L78 I120 H122 I138 I139 T141 L149 H156 P168 D169L78-F151 HydrophobicContact CD2-CB 4.2Å; L78-F151 HydrophobicContact CD2-CD2 3.75Å; L78-F151 HydrophobicContact CD2-CE2 4.38Å; L78-F151 HydrophobicContact CD2-CG 4.1Å; I120-F151 HydrophobicContact CD1-CB 4.37Å; I120-F151 HydrophobicContact CG2-CD1 3.79Å; I120-F151 HydrophobicContact CG2-CE1 3.78Å; H122-F151 AromaticContact CD2-CE2 3.99Å; I138-F151 CarbonylContact C-O 3.57Å; I138-F151 WeakPolarHBondContact CA-O 3.3Å; I139-F151 PolarHBondContact N-O 2.83Å; I139-F151 PolarHBondContact O-N 2.93Å; T141-F151 HydrophobicContact CG2-CD2 4.4Å; T141-F151 HydrophobicContact CG2-CE2 4.39Å; T141-F151 WeakPolarHBondContact OG1-CE2 3.22Å; L149-F151 HydrophobicContact CB-CD2 4.43Å; L149-F151 HydrophobicContact CB-CE2 3.56Å; L149-F151 HydrophobicContact CB-CZ 3.94Å; L149-F151 HydrophobicContact CD1-CE2 4.34Å; L149-F151 HydrophobicContact CD1-CZ 4.04Å; F151-H156 AromaticContact CD1-CE1 3.99Å; F151-H156 AromaticContact CD1-NE2 3.83Å; F151-P168 HydrophobicContact CD1-CB 4.29Å; F151-P168 VanDerWaalsContact CE1-CA 3.44Å; F151-P168 HydrophobicContact CE1-CB 3.76Å; F151-P168 HydrophobicContact CE2-CB 4.47Å; F151-P168 HydrophobicContact CZ-CB 3.86Å; F151-D169 WeakPolarHBondContact CA-OD2 3.44Å
152D97.1Very high95.1Very high19 Ų1948.1 Ų48.110%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-94.796.5158.7177.6-14.6000107.3H137 T154 K155 H156 D169H137-D152 WeakPolarHBondContact O-CA 3.49Å; D152-T154 PolarHBondContact O-N 2.97Å; D152-T154 WeakPolarHBondContact OD1-CB 3.21Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 2.88Å; D152-K155 HydrophobicContact CB-CD 4.14Å; D152-K155 HydrophobicContact CB-CG 4.1Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CE 3.36Å; D152-K155 IonicContact OD2-NZ 3.52Å; D152-K155 PolarHBondContact OD2-NZ 3.12Å; D152-H156 PolarHBondContact O-CD2 2.77Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-D169 PolarHBondContact N-OD2 3.28Å
153Y95.8Very high94.9Very high16 Ų1651.7 Ų51.76%0.06330%0.299CS..G310 helixtrans-61.4-19.4-168.769.1-107.7000113.4L49 V80 I118 P136 H137 I139 K155 H156L49-Y153 HydrophobicContact CD1-CE1 4.21Å; V80-Y153 HydrophobicContact CG2-CD1 4.16Å; V80-Y153 HydrophobicContact CG2-CD2 4.38Å; V80-Y153 HydrophobicContact CG2-CG 4.01Å; I118-Y153 HydrophobicContact CD1-CD2 3.57Å; I118-Y153 HydrophobicContact CD1-CE2 4.16Å; P136-Y153 WeakPolarHBondContact O-CE1 2.94Å; H137-Y153 HydrophobicContact CB-CE1 4.28Å; H137-Y153 AromaticContact ND1-CE1 3.98Å; H137-Y153 AromaticContact ND1-CE2 3.97Å; H137-Y153 AromaticContact ND1-CZ 3.37Å; H137-Y153 PolarHBondContact ND1-OH 2.91Å; H137-Y153 WeakPolarHBondContact O-CD1 3.14Å; H137-Y153 PolarHBondContact O-N 3.3Å; I139-Y153 HydrophobicContact CD1-CD1 3.56Å; I139-Y153 HydrophobicContact CD1-CE1 4.15Å; I139-Y153 HydrophobicContact CD1-CG 4.49Å; I139-Y153 HydrophobicContact CG1-CD1 4.13Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 3.09Å; Y153-H156 PolarHBondContact O-N 2.6Å
154T95.1Very high94.6Very high78 Ų7852.6 Ų52.648%0.47931%0.308SS..G310 helixtrans-72.3-19.4176.971.50000113.1H137 D152H137-T154 HydrophobicContact CB-CG2 3.85Å; D152-T154 PolarHBondContact O-N 2.97Å; D152-T154 WeakPolarHBondContact OD1-CB 3.21Å; D152-T154 PolarHBondContact OD1-N 2.94Å; D152-T154 PolarHBondContact OD1-OG1 2.88Å
155K94.2Very high94.5Very high141 Ų14157.3 Ų57.361%0.61333%0.327SS*.G310 helixtrans-86.4-7.7175.2-62.2-170.9-178.2105.90113.3D152 Y153D152-K155 HydrophobicContact CB-CD 4.14Å; D152-K155 HydrophobicContact CB-CG 4.1Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CE 3.36Å; D152-K155 IonicContact OD2-NZ 3.52Å; D152-K155 PolarHBondContact OD2-NZ 3.12Å; Y153-K155 VanDerWaalsContact C-N 3.25Å; Y153-K155 PolarHBondContact O-N 3.09Å
156H93.6Very high94.5Very high35 Ų3556.1 Ų56.116%0.16232%0.318CS..SBendtrans-99.7146.7-178.9-69-89.4000111.1I120 F151 D152 Y153 N167 D169I120-H156 HydrophobicContact CD1-CB 3.74Å; I120-H156 HydrophobicContact CG1-CB 3.79Å; F151-H156 AromaticContact CD1-CE1 3.99Å; F151-H156 AromaticContact CD1-NE2 3.83Å; D152-H156 PolarHBondContact O-CD2 2.77Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; Y153-H156 PolarHBondContact O-N 2.6Å; H156-N167 PolarHBondContact CE1-O 2.87Å; H156-N167 VanDerWaalsContact CE1-O 3.29Å; H156-D169 IonicContact CD2-OD2 3.71Å; H156-D169 IonicContact NE2-OD2 2.7Å; H156-D169 PolarHBondContact NE2-OD2 3.27Å
157P90.9Very high94.4Very high84 Ų8458.7 Ų58.755%0.54533%0.329SS..  trans-64.6148173.228.6-34.4000110.8K159P157-K159 WeakPolarHBondContact CG-O 3.4Å; P157-K159 PolarHBondContact O-N 3.22Å
158A91.3Very high94.3Very high58 Ų5858.5 Ų58.548%0.47933%0.329SS..SBendtrans-58-34.6176.900000113E117 I118 K119E117-A158 WeakPolarHBondContact O-CB 3.44Å; I118-A158 WeakPolarHBondContact CA-O 3.19Å; K119-A158 PolarHBondContact N-O 3.32Å; K119-A158 VanDerWaalsContact N-O 3.08Å
159K92.8Very high94.2Very high176 Ų17660.4 Ų60.477%0.76534%0.339SS*.SBendtrans-101.6138.6175.1-66.9-175.1-179.7-178.10109.9P157P157-K159 WeakPolarHBondContact CG-O 3.4Å; P157-K159 PolarHBondContact O-N 3.22Å
160P91.4Very high94.2Very high41 Ų4161.7 Ų61.727%0.26635%0.346SS..PPolyproline II helixtrans-68152.3-178.525.9-27.5000110.7K119 N121K119-P160 HydrophobicContact CB-CG 4.15Å; K119-P160 WeakPolarHBondContact O-CA 3.38Å; K119-P160 WeakPolarHBondContact O-CB 3.15Å; N121-P160 VanDerWaalsContact OD1-CB 3.25Å; N121-P160 WeakPolarHBondContact OD1-CB 3.35Å
161D89.8Confident94.1Very high88 Ų8863.9 Ų63.947%0.47135%0.353SS..PPolyproline II helixtrans-64.5127.5174.8-168.5-58.8000109.5N121 S163 G164N121-D161 PolarHBondContact ND2-O 3.18Å; D161-S163 VanDerWaalsContact CG-OG 3.24Å; D161-S163 PolarHBondContact O-N 3.49Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.07Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; D161-G164 PolarHBondContact O-N 2.91Å
162P91.6Very high94.1Very high136 Ų13663.9 Ų63.988%0.88335%0.353SS*.THydrogen-bonded Turntrans-59.2-17.4179.7-24.534.2000115.2G164P162-G164 PolarHBondContact O-N 2.86Å
163S92.5Very high94.1Very high75 Ų7568.7 Ų68.752%0.52437%0.37SS..THydrogen-bonded Turntrans-67.5-18.7174.261.90000113.5D161 E165D161-S163 VanDerWaalsContact CG-OG 3.24Å; D161-S163 PolarHBondContact O-N 3.49Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.07Å; D161-S163 PolarHBondContact OD1-OG 2.97Å; S163-E165 PolarHBondContact O-N 2.97Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 2.8Å
164G91.4Very high94.2Very high19 Ų1969 Ų6920%0.19638%0.377CS..  trans73.93.2-171.200000113.6Q75 N121 D161 P162 C166Q75-G164 PolarHBondContact OE1-O 3.33Å; Q75-G164 VanDerWaalsContact OE1-O 3.13Å; N121-G164 VanDerWaalsContact ND2-C 3.31Å; N121-G164 WeakPolarHBondContact ND2-CA 3.41Å; D161-G164 PolarHBondContact O-N 2.91Å; P162-G164 PolarHBondContact O-N 2.86Å; G164-C166 PolarHBondContact O-N 2.82Å
165E93.5Very high94.3Very high140 Ų14065.7 Ų65.765%0.65436%0.357SS*.  trans-65.1126.3-178.5-171.2176.7177.600110.8N121 S163N121-E165 VanDerWaalsContact CB-O 3.3Å; N121-E165 WeakPolarHBondContact CB-O 3.41Å; N121-E165 PolarHBondContact ND2-O 3.06Å; S163-E165 PolarHBondContact O-N 2.97Å; S163-E165 WeakPolarHBondContact OG-CB 3.49Å; S163-E165 PolarHBondContact OG-N 2.8Å
166C95.2Very high94.5Very high18 Ų1867.1 Ų67.112%0.12237%0.366CS..  trans-87.3124.6172.2-176.30000109.6N121 E123 G164N121-C166 PolarHBondContact O-SG 3.08Å; E123-C166 HydrophobicContact CG-CB 3.57Å; G164-C166 PolarHBondContact O-N 2.82Å
167N95Very high94.7Very high90 Ų9070.5 Ų70.548%0.48138%0.38SS..  trans-128.771.8-177.8-177.523.9000111.1H156 K214H156-N167 PolarHBondContact CE1-O 2.87Å; H156-N167 VanDerWaalsContact CE1-O 3.29Å; N167-K214 PolarHBondContact OD1-NZ 2.97Å
168P96.5Very high95.1Very high11 Ų1169.1 Ų69.17%0.07137%0.366CS..  trans-61.3152.8-179.629-36.4000111.6L149 F151 K214L149-P168 HydrophobicContact CB-CB 4.01Å; L149-P168 HydrophobicContact CD1-CB 4.49Å; L149-P168 HydrophobicContact CD1-CG 4.44Å; L149-P168 HydrophobicContact CD2-CB 4.28Å; L149-P168 HydrophobicContact CD2-CG 4Å; L149-P168 HydrophobicContact CG-CB 4.48Å; F151-P168 HydrophobicContact CD1-CB 4.29Å; F151-P168 VanDerWaalsContact CE1-CA 3.44Å; F151-P168 HydrophobicContact CE1-CB 3.76Å; F151-P168 HydrophobicContact CE2-CB 4.47Å; F151-P168 HydrophobicContact CZ-CB 3.86Å; P168-K214 VanDerWaalsContact O-CD 3.24Å; P168-K214 WeakPolarHBondContact O-CD 3.45Å; P168-K214 PolarHBondContact O-NZ 3.01Å
169D96.2Very high95.4Very high39 Ų3966.4 Ų66.421%0.20934%0.343CS..SBendtrans-72.1-39.9175.3-72.6-83.9000111V150 F151 D152 H156 K214V150-D169 WeakPolarHBondContact O-CA 3.46Å; V150-D169 WeakPolarHBondContact O-CB 3.16Å; V150-D169 PolarHBondContact O-N 2.79Å; F151-D169 WeakPolarHBondContact CA-OD2 3.44Å; D152-D169 PolarHBondContact N-OD2 3.28Å; H156-D169 IonicContact CD2-OD2 3.71Å; H156-D169 IonicContact NE2-OD2 2.7Å; H156-D169 PolarHBondContact NE2-OD2 3.27Å; D169-K214 WeakPolarHBondContact O-CD 3.34Å
170L97.2Very high95.7Very high28 Ų2861.9 Ų61.915%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-134.8147.5169.7-54168000111V150 L172 I206 P210 K214 V216V150-L170 HydrophobicContact CB-CB 4.05Å; V150-L170 HydrophobicContact CG2-CB 4.43Å; V150-L170 PolarHBondContact N-O 3.35Å; V150-L170 PolarHBondContact O-N 2.87Å; V150-L170 VanDerWaalsContact O-N 3.1Å; L170-L172 HydrophobicContact CB-CD2 4.1Å; L170-I206 HydrophobicContact CD1-CB 3.79Å; L170-I206 HydrophobicContact CD1-CD1 4.42Å; L170-I206 HydrophobicContact CD1-CG2 4.22Å; L170-P210 HydrophobicContact CD2-CG 4.33Å; L170-K214 CarbonylContact C-O 3.57Å; L170-K214 WeakPolarHBondContact CA-O 3.37Å; L170-V216 HydrophobicContact CD1-CG2 4.43Å; L170-V216 HydrophobicContact CD2-CG2 4.18Å
171R97Very high96Very high50 Ų5060 Ų6019%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-115.8112170.5177.7176.1-79.6-90.70.1108.3E123 D147 L149 K214 I215 V216E123-R171 IonicContact OE1-CZ 3.66Å; E123-R171 IonicContact OE1-NH2 3.64Å; E123-R171 PolarHBondContact OE1-NH2 3.2Å; E123-R171 IonicContact OE2-CZ 3.29Å; E123-R171 IonicContact OE2-NH1 2.68Å; E123-R171 IonicContact OE2-NH2 2.76Å; E123-R171 PolarHBondContact OE2-NH2 3.36Å; D147-R171 HydrophobicContact CB-CG 3.89Å; D147-R171 WeakPolarHBondContact OD2-CD 3.14Å; D147-R171 VanDerWaalsContact OD2-CG 3.29Å; D147-R171 WeakPolarHBondContact OD2-CG 3.19Å; D147-R171 IonicContact OD2-CZ 3.81Å; D147-R171 IonicContact OD2-NE 3.87Å; D147-R171 IonicContact OD2-NH1 3.53Å; D147-R171 PolarHBondContact OD2-NH1 2.97Å; L149-R171 HydrophobicContact CD2-CB 4.4Å; L149-R171 HydrophobicContact CD2-CG 4.17Å; R171-K214 PolarHBondContact N-O 3.38Å; R171-I215 WeakPolarHBondContact O-CA 3.26Å; R171-V216 PolarHBondContact O-N 3.17Å
172L97.9Very high96.4Very high0 Ų056.1 Ų56.10%029%0.289CS..EExtended strand (participates in β ladder)trans-92.3116.1-177.6-41.3-178.8000109.2V148 V150 L170 L192 W204 I206 V216V148-L172 HydrophobicContact CB-CB 4.06Å; V148-L172 HydrophobicContact CB-CD1 4.15Å; V148-L172 HydrophobicContact CB-CG 4.31Å; V148-L172 HydrophobicContact CG1-CD1 4.1Å; V148-L172 PolarHBondContact N-O 2.99Å; V148-L172 VanDerWaalsContact N-O 3.13Å; V148-L172 PolarHBondContact O-N 3.35Å; V150-L172 HydrophobicContact CG2-CD1 3.74Å; V150-L172 HydrophobicContact CG2-CD2 4.12Å; V150-L172 HydrophobicContact CG2-CG 3.87Å; L170-L172 HydrophobicContact CB-CD2 4.1Å; L172-L192 HydrophobicContact CD1-CD2 3.5Å; L172-L192 VanDerWaalsContact CD1-CD2 3.5Å; L172-W204 HydrophobicContact CB-CD2 3.95Å; L172-W204 HydrophobicContact CB-CG 3.99Å; L172-W204 HydrophobicContact CB-CZ2 4.18Å; L172-W204 HydrophobicContact CD1-CB 4.19Å; L172-W204 HydrophobicContact CD1-CD2 4.08Å; L172-W204 HydrophobicContact CD1-CE3 4.33Å; L172-W204 HydrophobicContact CD1-CG 4.02Å; L172-W204 HydrophobicContact CG-CG 4.44Å; L172-I206 HydrophobicContact CD1-CG2 4.26Å; L172-I206 HydrophobicContact CD2-CG2 3.95Å; L172-V216 CarbonylContact C-O 3.56Å; L172-V216 WeakPolarHBondContact CA-O 3.42Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.38Å; L172-V216 HydrophobicContact CD2-CG2 4.11Å
173R96.9Very high96.8Very high120 Ų12050.7 Ų50.745%0.45325%0.254SS..EExtended strand (participates in β ladder)trans-101.1135.8-178.3-176.7-177.5-69.7168.4-1.7109.9W204 I215 V216 D217 A218R173-W204 PolarHBondContact O-NE1 2.82Å; R173-I215 HydrophobicContact CB-CG2 4.26Å; R173-V216 PolarHBondContact N-O 2.93Å; R173-D217 CarbonylContact O-C 3.57Å; R173-D217 WeakPolarHBondContact O-CA 3.22Å; R173-A218 PolarHBondContact O-N 3.45Å
174G97.2Very high97.1Very high21 Ų2147.7 Ų47.722%0.21623%0.231CC..  trans-179.4-45.5175.600000112.4
175H98.4Very high97.4Very high9 Ų946.8 Ų46.84%0.04222%0.222CC..  trans-76.3168.6177.6-68.8-62.3000113.1S146 S194 S196 D198 T200 C202 W204S146-H175 WeakPolarHBondContact CB-O 3.44Å; S146-H175 WeakPolarHBondContact O-CB 3.35Å; H175-S194 PolarHBondContact CD2-OG 3.26Å; H175-S194 PolarHBondContact NE2-O 2.68Å; H175-S194 PolarHBondContact NE2-OG 2.69Å; H175-S196 WeakPolarHBondContact CE1-CB 3.36Å; H175-S196 WeakPolarHBondContact ND1-CB 3.47Å; H175-D198 WeakPolarHBondContact CA-OD2 3.43Å; H175-D198 VanDerWaalsContact CB-OD2 3.27Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.67Å; H175-D198 IonicContact ND1-OD1 2.93Å; H175-D198 PolarHBondContact ND1-OD1 3.32Å; H175-D198 IonicContact ND1-OD2 3.26Å; H175-D198 PolarHBondContact ND1-OD2 2.85Å; H175-D198 VanDerWaalsContact ND1-OD2 3.12Å; H175-T200 PolarHBondContact CE1-O 3.46Å; H175-T200 PolarHBondContact CE1-OG1 3.01Å; H175-T200 PolarHBondContact ND1-OG1 3.48Å; H175-T200 VanDerWaalsContact ND1-OG1 3.12Å; H175-C202 VanDerWaalsContact CE1-SG 3.54Å; H175-W204 AromaticContact CD2-CH2 3.73Å; H175-W204 AromaticContact NE2-CH2 3.85Å
176Q98.3Very high97.6Very high172 Ų17242.4 Ų42.480%0.80421%0.207SC*.SBendtrans-116.1-10.2175.3-60.8-179.136.600113.2D198Q176-D198 HydrophobicContact CB-CB 4.12Å; Q176-D198 PolarHBondContact N-OD2 2.8Å
177K98.5Very high97.7Very high106 Ų10645 Ų4546%0.46122%0.219SC..SBendtrans-143.1173.2177.7-62.2-171.7-165.6162.10110.2S146 S196 D197 D198S146-K177 WeakPolarHBondContact CA-O 3.22Å; K177-S196 PolarHBondContact O-OG 3.01Å; K177-D197 HydrophobicContact CB-CB 3.83Å; K177-D197 HydrophobicContact CD-CB 3.77Å; K177-D197 WeakPolarHBondContact CD-O 3.34Å; K177-D197 PolarHBondContact NZ-O 3.11Å; K177-D198 HydrophobicContact CB-CB 4.3Å; K177-D198 HydrophobicContact CG-CB 4.31Å
178E98.2Very high97.8Very high55 Ų5543.3 Ų43.326%0.25721%0.21SC..  trans-64.6-172.1174.669-178.5114.800113.3N127 T143 S145 S196 D197N127-E178 PolarHBondContact ND2-OE2 2.76Å; T143-E178 WeakPolarHBondContact O-CB 3.22Å; S145-E178 WeakPolarHBondContact O-CA 3.44Å; E178-S196 WeakPolarHBondContact O-CA 3.43Å; E178-S196 VanDerWaalsContact O-CB 3.25Å; E178-S196 WeakPolarHBondContact O-CB 3.15Å; E178-S196 PolarHBondContact O-OG 3.07Å; E178-D197 PolarHBondContact O-N 3.25Å
179G97.9Very high97.9Very high0 Ų045.1 Ų45.10%022%0.224CC..  trans168.6-177.8170.500000111.3K142K142-G179 WeakPolarHBondContact CB-O 3.32Å; K142-G179 WeakPolarHBondContact CE-O 3.22Å
180Y98.1Very high98Very high82 Ų8243.3 Ų43.332%0.32221%0.214SC..  trans-118.6-36.3-173.8-61.2-88.2000113.7N127 R128 L182N127-Y180 HydrophobicContact CB-CD1 3.76Å; N127-Y180 HydrophobicContact CB-CE1 3.87Å; R128-Y180 WeakPolarHBondContact CB-O 3.26Å; R128-Y180 VanDerWaalsContact CG-O 3.26Å; R128-Y180 WeakPolarHBondContact CG-O 3.24Å; R128-Y180 PolarHBondContact NE-O 3.32Å; Y180-L182 PolarHBondContact O-N 3.32Å
181G98.4Very high98Very high0 Ų043 Ų430%021%0.211CC..  trans-62.3129.4-179.100000113.5S194 A195 E230 D231G181-S194 CarbonylContact O-C 3.53Å; G181-S194 WeakPolarHBondContact O-CA 3.14Å; G181-S194 VanDerWaalsContact O-CB 3.32Å; G181-S194 WeakPolarHBondContact O-CB 3.32Å; G181-A195 PolarHBondContact O-N 3.37Å; G181-E230 WeakPolarHBondContact CA-O 3.4Å; G181-E230 PolarHBondContact N-O 3.25Å; G181-D231 WeakPolarHBondContact CA-OD1 3.49Å
182L98.7Very high98.1Very high8 Ų840.6 Ų40.64%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-154121.7-178.6-16969.7000110.1R128 R130 A140 K142 V148 Y180 L192 L193R128-L182 HydrophobicContact CB-CB 4.26Å; R128-L182 HydrophobicContact CB-CD2 4.5Å; R128-L182 HydrophobicContact CG-CB 3.85Å; R128-L182 HydrophobicContact CG-CD2 4.43Å; R130-L182 HydrophobicContact CB-CD2 4.17Å; R130-L182 HydrophobicContact CB-CG 4.5Å; R130-L182 HydrophobicContact CG-CB 4.42Å; R130-L182 HydrophobicContact CG-CD2 4.29Å; R130-L182 HydrophobicContact CG-CG 4.49Å; A140-L182 HydrophobicContact CB-CD1 4.29Å; A140-L182 HydrophobicContact CB-CD2 3.94Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 VanDerWaalsContact O-CD2 3.28Å; A140-L182 WeakPolarHBondContact O-CD2 3.34Å; K142-L182 HydrophobicContact CD-CD1 4.36Å; K142-L182 HydrophobicContact CG-CB 4.22Å; K142-L182 HydrophobicContact CG-CD1 4.3Å; K142-L182 HydrophobicContact CG-CD2 4.46Å; V148-L182 HydrophobicContact CG1-CD1 3.95Å; Y180-L182 PolarHBondContact O-N 3.32Å; L182-L192 HydrophobicContact CD1-CD1 3.83Å; L182-L192 HydrophobicContact CD1-CD2 3.99Å; L182-L192 HydrophobicContact CD1-CG 4.13Å; L182-L192 HydrophobicContact CG-CD1 4.13Å; L182-L193 WeakPolarHBondContact CA-O 3.4Å
183S98.8Very high98.2Very high22 Ų2240.6 Ų40.615%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-144.7123.8-176.8-174.60000112.3L192 L193 V232 W234S183-L192 WeakPolarHBondContact O-CD1 3.33Å; S183-L193 PolarHBondContact N-O 3.2Å; S183-L193 PolarHBondContact O-N 2.8Å; S183-V232 VanDerWaalsContact CB-O 3.23Å; S183-V232 WeakPolarHBondContact CB-O 3.22Å; S183-W234 PolarHBondContact O-NE1 2.91Å; S183-W234 PolarHBondContact OG-N 2.79Å; S183-W234 VanDerWaalsContact OG-N 3.08Å
184W98.8Very high98.2Very high11 Ų1134.9 Ų34.94%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-82.6143.2170.1-71.3100.9000110.8R130 M132 P133 I138 A140 S186 L192 I206R130-W184 PolarHBondContact O-NE1 2.71Å; M132-W184 HydrophobicContact CB-CD2 3.78Å; M132-W184 HydrophobicContact CB-CE3 4.01Å; M132-W184 HydrophobicContact CB-CG 4.22Å; M132-W184 HydrophobicContact CB-CH2 4.41Å; M132-W184 HydrophobicContact CB-CZ2 4.15Å; M132-W184 HydrophobicContact CB-CZ3 4.33Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.75Å; M132-W184 HydrophobicContact CG-CG 4.49Å; M132-W184 HydrophobicContact CG-CZ3 4.14Å; M132-W184 HydrophobicContact SD-CE3 4.05Å; M132-W184 HydrophobicContact SD-CH2 4.43Å; M132-W184 HydrophobicContact SD-CZ3 3.88Å; P133-W184 VanDerWaalsContact CD-CB 3.45Å; P133-W184 HydrophobicContact CG-CB 4.31Å; I138-W184 HydrophobicContact CG2-CH2 4.33Å; I138-W184 HydrophobicContact CG2-CZ2 4.24Å; A140-W184 HydrophobicContact CB-CH2 4.38Å; A140-W184 HydrophobicContact CB-CZ2 3.43Å; A140-W184 VanDerWaalsContact CB-CZ2 3.43Å; W184-S186 PolarHBondContact O-N 2.98Å; W184-L192 HydrophobicContact CD2-CB 4.3Å; W184-L192 HydrophobicContact CD2-CD1 3.5Å; W184-L192 HydrophobicContact CD2-CG 4.42Å; W184-L192 HydrophobicContact CE3-CB 3.81Å; W184-L192 HydrophobicContact CE3-CD1 3.94Å; W184-L192 HydrophobicContact CE3-CG 4.41Å; W184-L192 HydrophobicContact CG-CD1 3.75Å; W184-L192 HydrophobicContact CH2-CB 4.25Å; W184-L192 HydrophobicContact CH2-CD1 4.46Å; W184-L192 HydrophobicContact CH2-CD2 4.31Å; W184-L192 HydrophobicContact CZ2-CD1 4.14Å; W184-L192 HydrophobicContact CZ2-CD2 4.34Å; W184-L192 HydrophobicContact CZ3-CB 3.77Å; W184-L192 HydrophobicContact CZ3-CD1 4.38Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; W184-I206 HydrophobicContact CH2-CD1 3.9Å; W184-I206 HydrophobicContact CH2-CG2 4.35Å; W184-I206 HydrophobicContact CZ3-CD1 4.12Å; W184-I206 HydrophobicContact CZ3-CG1 4.48Å; W184-I206 HydrophobicContact CZ3-CG2 4.47Å
185N98.7Very high98.3Very high0 Ų033.9 Ų33.90%017%0.171CC..  trans-74.7120.6174.1-167.1-46.9000109.6Q134 N187 L188 H191 W234 E239Q134-N185 PolarHBondContact NE2-O 3.39Å; N185-N187 VanDerWaalsContact C-N 3.26Å; N185-N187 PolarHBondContact O-N 2.62Å; N185-N187 WeakPolarHBondContact OD1-CA 3.23Å; N185-N187 WeakPolarHBondContact OD1-CB 3.44Å; N185-N187 PolarHBondContact OD1-N 3.1Å; N185-L188 HydrophobicContact CB-CB 4.38Å; N185-L188 PolarHBondContact OD1-N 2.94Å; N185-H191 HydrophobicContact CB-CB 3.73Å; N185-H191 WeakPolarHBondContact CB-O 3.19Å; N185-H191 PolarHBondContact N-O 3.38Å; N185-W234 VanDerWaalsContact CA-CD1 3.5Å; N185-W234 HydrophobicContact CB-CD2 3.86Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.14Å; N185-W234 VanDerWaalsContact N-CD1 3.26Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.48Å; N185-E239 PolarHBondContact ND2-O 3.37Å
186S97.1Very high98.3Very high48 Ų4833.5 Ų33.534%0.33617%0.169SC..SBendtrans-69.9-22.4178.4-55.70000113.5Q134 W184Q134-S186 PolarHBondContact NE2-O 3.44Å; W184-S186 PolarHBondContact O-N 2.98Å
187N97.7Very high98.4Very high72 Ų7227.1 Ų27.139%0.38514%0.14SC..SBendtrans-99.3-35.1-174.4-61.2-78.4000112.6N185 L236 E239N185-N187 VanDerWaalsContact C-N 3.26Å; N185-N187 PolarHBondContact O-N 2.62Å; N185-N187 WeakPolarHBondContact OD1-CA 3.23Å; N185-N187 WeakPolarHBondContact OD1-CB 3.44Å; N185-N187 PolarHBondContact OD1-N 3.1Å; N187-L236 PolarHBondContact ND2-O 2.96Å; N187-E239 HydrophobicContact CB-CB 3.64Å
188L97.6Very high98.4Very high55 Ų5523.3 Ų23.329%0.28813%0.125SC..SBendtrans-112.6110.5179.6-64.6175.1000111.2N185 G190 H191 E239N185-L188 HydrophobicContact CB-CB 4.38Å; N185-L188 PolarHBondContact OD1-N 2.94Å; L188-G190 PolarHBondContact O-N 3.32Å; L188-H191 HydrophobicContact CB-CB 4.21Å; L188-H191 PolarHBondContact O-N 2.79Å; L188-E239 HydrophobicContact CD1-CB 3.9Å; L188-E239 HydrophobicContact CD1-CG 4.42Å; L188-E239 HydrophobicContact CD2-CB 4.46Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.32Å; L188-E239 HydrophobicContact CG-CB 3.8Å
189S97.7Very high98.4Very high50 Ų5024 Ų2435%0.3513%0.128SC..THydrogen-bonded Turntrans-54.6138.6176.4-176.90000111.8H191 N207S189-H191 PolarHBondContact O-N 3.38Å; S189-H191 PolarHBondContact O-ND1 3.37Å; S189-H191 VanDerWaalsContact O-ND1 3.11Å; S189-N207 PolarHBondContact O-ND2 3.23Å
190G97.9Very high98.4Very high0 Ų025 Ų250%013%0.134CC..THydrogen-bonded Turntrans71.75.1175.600000116M132 L188 D205 I206M132-G190 VanDerWaalsContact SD-CA 3.57Å; M132-G190 PolarHBondContact SD-N 2.81Å; L188-G190 PolarHBondContact O-N 3.32Å; G190-D205 WeakPolarHBondContact O-CA 3.48Å; G190-I206 PolarHBondContact O-N 2.94Å
191H98.6Very high98.5Very high22 Ų2221.1 Ų21.110%0.10212%0.119CC..EExtended strand (participates in β ladder)trans-90.9123.5175.3-72.362.1000110.3N185 L188 S189 W204 D205 K219 W234N185-H191 HydrophobicContact CB-CB 3.73Å; N185-H191 WeakPolarHBondContact CB-O 3.19Å; N185-H191 PolarHBondContact N-O 3.38Å; L188-H191 HydrophobicContact CB-CB 4.21Å; L188-H191 PolarHBondContact O-N 2.79Å; S189-H191 PolarHBondContact O-N 3.38Å; S189-H191 PolarHBondContact O-ND1 3.37Å; S189-H191 VanDerWaalsContact O-ND1 3.11Å; H191-W204 WeakPolarHBondContact CA-O 3.4Å; H191-D205 IonicContact CE1-OD1 2.71Å; H191-D205 IonicContact CE1-OD2 3.78Å; H191-D205 PolarHBondContact CE1-OD2 3.31Å; H191-D205 IonicContact NE2-OD2 3.81Å; H191-K219 PolarHBondContact NE2-NZ 3.02Å; H191-W234 HydrophobicContact CB-CZ2 4.31Å
192L98.8Very high98.5Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-129.2136.7-175.4-178.972.7000110.4A140 V148 L172 L182 S183 W184 L203 W204A140-L192 HydrophobicContact CB-CD1 4.06Å; A140-L192 HydrophobicContact CB-CD2 3.59Å; V148-L192 HydrophobicContact CG1-CD2 3.93Å; L172-L192 HydrophobicContact CD1-CD2 3.5Å; L172-L192 VanDerWaalsContact CD1-CD2 3.5Å; L182-L192 HydrophobicContact CD1-CD1 3.83Å; L182-L192 HydrophobicContact CD1-CD2 3.99Å; L182-L192 HydrophobicContact CD1-CG 4.13Å; L182-L192 HydrophobicContact CG-CD1 4.13Å; S183-L192 WeakPolarHBondContact O-CD1 3.33Å; W184-L192 HydrophobicContact CD2-CB 4.3Å; W184-L192 HydrophobicContact CD2-CD1 3.5Å; W184-L192 HydrophobicContact CD2-CG 4.42Å; W184-L192 HydrophobicContact CE3-CB 3.81Å; W184-L192 HydrophobicContact CE3-CD1 3.94Å; W184-L192 HydrophobicContact CE3-CG 4.41Å; W184-L192 HydrophobicContact CG-CD1 3.75Å; W184-L192 HydrophobicContact CH2-CB 4.25Å; W184-L192 HydrophobicContact CH2-CD1 4.46Å; W184-L192 HydrophobicContact CH2-CD2 4.31Å; W184-L192 HydrophobicContact CZ2-CD1 4.14Å; W184-L192 HydrophobicContact CZ2-CD2 4.34Å; W184-L192 HydrophobicContact CZ3-CB 3.77Å; W184-L192 HydrophobicContact CZ3-CD1 4.38Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; L192-L203 WeakPolarHBondContact O-CA 3.31Å; L192-L203 WeakPolarHBondContact O-CD1 3.18Å; L192-W204 PolarHBondContact N-O 2.86Å; L192-W204 VanDerWaalsContact N-O 3.1Å; L192-W204 PolarHBondContact O-N 3.19Å
193L98.9Very high98.5Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-106.4146.9167.9-69.8167000110.3L182 S183 V201 C202 L203 V232 W234 F242L182-L193 WeakPolarHBondContact CA-O 3.4Å; S183-L193 PolarHBondContact N-O 3.2Å; S183-L193 PolarHBondContact O-N 2.8Å; L193-V201 HydrophobicContact CD2-CG1 3.84Å; L193-C202 VanDerWaalsContact CA-O 3.28Å; L193-C202 WeakPolarHBondContact CA-O 3.35Å; L193-L203 HydrophobicContact CD2-CB 3.9Å; L193-L203 HydrophobicContact CD2-CD1 4.08Å; L193-V232 HydrophobicContact CB-CB 4.48Å; L193-V232 HydrophobicContact CB-CG1 3.81Å; L193-V232 HydrophobicContact CB-CG2 3.77Å; L193-V232 HydrophobicContact CD1-CG2 3.68Å; L193-V232 HydrophobicContact CG-CG2 4.21Å; L193-W234 HydrophobicContact CD1-CD2 3.5Å; L193-W234 VanDerWaalsContact CD1-CD2 3.5Å; L193-W234 HydrophobicContact CD1-CE3 4.15Å; L193-W234 HydrophobicContact CD1-CG 3.79Å; L193-W234 HydrophobicContact CD1-CH2 4.35Å; L193-W234 HydrophobicContact CD1-CZ2 3.75Å; L193-W234 VanDerWaalsContact CD1-NE1 3.32Å; L193-W234 HydrophobicContact CD2-CZ2 4.13Å; L193-W234 HydrophobicContact CG-CD2 4.21Å; L193-W234 VanDerWaalsContact CG-CE2 3.42Å; L193-W234 HydrophobicContact CG-CZ2 3.64Å; L193-W234 VanDerWaalsContact CG-NE1 3.3Å; L193-F242 HydrophobicContact CD1-CB 3.43Å; L193-F242 VanDerWaalsContact CD1-CB 3.43Å; L193-F242 HydrophobicContact CD1-CD1 3.87Å; L193-F242 HydrophobicContact CD1-CD2 3.66Å; L193-F242 HydrophobicContact CD1-CE2 4.33Å; L193-F242 HydrophobicContact CD1-CG 3.39Å; L193-F242 HydrophobicContact CD2-CD1 4.35Å; L193-F242 HydrophobicContact CD2-CD2 4.45Å; L193-F242 HydrophobicContact CD2-CE1 4.23Å; L193-F242 HydrophobicContact CD2-CE2 4.33Å; L193-F242 HydrophobicContact CD2-CG 4.46Å; L193-F242 HydrophobicContact CD2-CZ 4.22Å
194S98.8Very high98.5Very high0 Ų020.1 Ų20.10%011%0.112CC..EExtended strand (participates in β ladder)trans-139.8152.6160.667.70000112.9H175 G181 V201 C202 W204H175-S194 PolarHBondContact CD2-OG 3.26Å; H175-S194 PolarHBondContact NE2-O 2.68Å; H175-S194 PolarHBondContact NE2-OG 2.69Å; G181-S194 CarbonylContact O-C 3.53Å; G181-S194 WeakPolarHBondContact O-CA 3.14Å; G181-S194 VanDerWaalsContact O-CB 3.32Å; G181-S194 WeakPolarHBondContact O-CB 3.32Å; S194-V201 CarbonylContact O-C 3.59Å; S194-V201 VanDerWaalsContact O-CA 3.29Å; S194-V201 WeakPolarHBondContact O-CA 3.49Å; S194-V201 WeakPolarHBondContact O-CG1 3.28Å; S194-C202 PolarHBondContact N-O 3.16Å; S194-C202 PolarHBondContact O-N 2.88Å; S194-W204 WeakPolarHBondContact OG-CH2 3.29Å; S194-W204 WeakPolarHBondContact OG-CZ3 3.39Å
195A98.8Very high98.4Very high0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-101.9162173.400000110.8K142 G181 V229 V232K142-A195 PolarHBondContact NZ-O 3.43Å; G181-A195 PolarHBondContact O-N 3.37Å; A195-V229 HydrophobicContact CB-CB 3.93Å; A195-V229 HydrophobicContact CB-CG1 3.67Å; A195-V229 VanDerWaalsContact CB-O 3.22Å; A195-V229 WeakPolarHBondContact CB-O 3.44Å; A195-V232 HydrophobicContact CB-CB 4.3Å; A195-V232 HydrophobicContact CB-CG1 4.21Å
196S98.7Very high98.3Very high0 Ų021.9 Ų21.90%012%0.122CC..  trans-159.5154.4-175.2178.60000114.7H175 K177 E178 D198 H199 T200 V229H175-S196 WeakPolarHBondContact CE1-CB 3.36Å; H175-S196 WeakPolarHBondContact ND1-CB 3.47Å; K177-S196 PolarHBondContact O-OG 3.01Å; E178-S196 WeakPolarHBondContact O-CA 3.43Å; E178-S196 VanDerWaalsContact O-CB 3.25Å; E178-S196 WeakPolarHBondContact O-CB 3.15Å; E178-S196 PolarHBondContact O-OG 3.07Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.45Å; S196-D198 PolarHBondContact O-N 3.47Å; S196-D198 VanDerWaalsContact O-N 3.13Å; S196-D198 VanDerWaalsContact OG-CG 3.27Å; S196-D198 PolarHBondContact OG-N 2.63Å; S196-D198 VanDerWaalsContact OG-N 3.15Å; S196-D198 PolarHBondContact OG-OD1 2.97Å; S196-H199 PolarHBondContact O-N 3.14Å; S196-T200 PolarHBondContact N-O 2.91Å; S196-V229 PolarHBondContact N-O 2.93Å; S196-V229 PolarHBondContact O-N 2.88Å; S196-V229 VanDerWaalsContact O-N 3.12Å
197D98.7Very high98.2Very high39 Ų3924.5 Ų24.521%0.20913%0.132CC..THydrogen-bonded Turntrans-61-8.8167.5-65.236.3000114.6K177 E178 H199 V228K177-D197 HydrophobicContact CB-CB 3.83Å; K177-D197 HydrophobicContact CD-CB 3.77Å; K177-D197 WeakPolarHBondContact CD-O 3.34Å; K177-D197 PolarHBondContact NZ-O 3.11Å; E178-D197 PolarHBondContact O-N 3.25Å; D197-H199 PolarHBondContact O-CD2 2.9Å; D197-V228 HydrophobicContact CB-CG1 4.36Å; D197-V228 HydrophobicContact CB-CG2 4.3Å
198D98.6Very high97.8Very high26 Ų2625 Ų2514%0.13915%0.146CC..THydrogen-bonded Turntrans-82.24.9169.772.811.8000113.6H175 Q176 K177 S196 T200H175-D198 WeakPolarHBondContact CA-OD2 3.43Å; H175-D198 VanDerWaalsContact CB-OD2 3.27Å; H175-D198 WeakPolarHBondContact CB-OD2 3.49Å; H175-D198 IonicContact CG-OD2 2.67Å; H175-D198 IonicContact ND1-OD1 2.93Å; H175-D198 PolarHBondContact ND1-OD1 3.32Å; H175-D198 IonicContact ND1-OD2 3.26Å; H175-D198 PolarHBondContact ND1-OD2 2.85Å; H175-D198 VanDerWaalsContact ND1-OD2 3.12Å; Q176-D198 HydrophobicContact CB-CB 4.12Å; Q176-D198 PolarHBondContact N-OD2 2.8Å; K177-D198 HydrophobicContact CB-CB 4.3Å; K177-D198 HydrophobicContact CG-CB 4.31Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.45Å; S196-D198 PolarHBondContact O-N 3.47Å; S196-D198 VanDerWaalsContact O-N 3.13Å; S196-D198 VanDerWaalsContact OG-CG 3.27Å; S196-D198 PolarHBondContact OG-N 2.63Å; S196-D198 VanDerWaalsContact OG-N 3.15Å; S196-D198 PolarHBondContact OG-OD1 2.97Å; D198-T200 VanDerWaalsContact C-N 3.27Å; D198-T200 VanDerWaalsContact CG-OG1 3.3Å; D198-T200 PolarHBondContact O-N 3.19Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.83Å; D198-T200 PolarHBondContact OD1-OG1 2.86Å; D198-T200 PolarHBondContact OD2-OG1 3.28Å
199H98.7Very high97Very high70 Ų7023.8 Ų23.832%0.32415%0.147SC..SBendtrans7216.2178-43.7173.4000113.8S196 D197 S226 A227 V228 V229S196-H199 PolarHBondContact O-N 3.14Å; D197-H199 PolarHBondContact O-CD2 2.9Å; H199-S226 PolarHBondContact ND1-O 2.84Å; H199-A227 WeakPolarHBondContact CA-O 3.2Å; H199-A227 WeakPolarHBondContact CB-O 2.83Å; H199-A227 PolarHBondContact CD2-O 2.81Å; H199-A227 VanDerWaalsContact CG-C 3.46Å; H199-A227 VanDerWaalsContact CG-O 3.32Å; H199-V228 PolarHBondContact CD2-N 2.84Å; H199-V229 VanDerWaalsContact C-CG2 3.47Å
200T98.8Very high96.1Very high19 Ų1924 Ų2412%0.11715%0.147CC..  trans-117.3159.9-178.175.30000112.8H175 S196 D198 I221 F222 T223H175-T200 PolarHBondContact CE1-O 3.46Å; H175-T200 PolarHBondContact CE1-OG1 3.01Å; H175-T200 PolarHBondContact ND1-OG1 3.48Å; H175-T200 VanDerWaalsContact ND1-OG1 3.12Å; S196-T200 PolarHBondContact N-O 2.91Å; D198-T200 VanDerWaalsContact C-N 3.27Å; D198-T200 VanDerWaalsContact CG-OG1 3.3Å; D198-T200 PolarHBondContact O-N 3.19Å; D198-T200 VanDerWaalsContact OD1-CB 3.3Å; D198-T200 WeakPolarHBondContact OD1-CB 3.43Å; D198-T200 PolarHBondContact OD1-N 2.83Å; D198-T200 PolarHBondContact OD1-OG1 2.86Å; D198-T200 PolarHBondContact OD2-OG1 3.28Å; T200-I221 HydrophobicContact CG2-CG2 4.06Å; T200-F222 VanDerWaalsContact CA-O 3.27Å; T200-F222 WeakPolarHBondContact CA-O 3.46Å; T200-F222 VanDerWaalsContact CB-O 3.32Å; T200-F222 WeakPolarHBondContact CB-O 3.37Å; T200-T223 HydrophobicContact CG2-CG2 3.99Å
201V98.9Very high94.9Very high2 Ų232.6 Ų32.61%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-110.4132.7163176.80000107.7L193 S194 I221 F222 V229 V232 F242L193-V201 HydrophobicContact CD2-CG1 3.84Å; S194-V201 CarbonylContact O-C 3.59Å; S194-V201 VanDerWaalsContact O-CA 3.29Å; S194-V201 WeakPolarHBondContact O-CA 3.49Å; S194-V201 WeakPolarHBondContact O-CG1 3.28Å; V201-I221 CarbonylContact O-C 3.48Å; V201-I221 WeakPolarHBondContact O-CA 3.39Å; V201-F222 HydrophobicContact CB-CB 4.18Å; V201-F222 HydrophobicContact CB-CD2 4.26Å; V201-F222 HydrophobicContact CG1-CD2 4.26Å; V201-F222 PolarHBondContact N-O 3.14Å; V201-F222 VanDerWaalsContact N-O 3.09Å; V201-F222 WeakPolarHBondContact O-CD2 3.33Å; V201-F222 PolarHBondContact O-N 3.31Å; V201-V229 HydrophobicContact CG2-CG1 3.82Å; V201-V232 HydrophobicContact CG1-CG2 3.86Å; V201-F242 HydrophobicContact CG1-CE2 3.93Å; V201-F242 HydrophobicContact CG1-CZ 4.37Å
202C98.8Very high93.9Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-109.8143175-77.50000110.9H175 L193 S194 W204 A218H175-C202 VanDerWaalsContact CE1-SG 3.54Å; L193-C202 VanDerWaalsContact CA-O 3.28Å; L193-C202 WeakPolarHBondContact CA-O 3.35Å; S194-C202 PolarHBondContact N-O 3.16Å; S194-C202 PolarHBondContact O-N 2.88Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.14Å; C202-W204 HydrophobicContact CB-CH2 3.07Å; C202-W204 HydrophobicContact CB-CZ2 3.48Å; C202-W204 VanDerWaalsContact CB-CZ2 3.48Å; C202-W204 HydrophobicContact CB-CZ3 3.42Å; C202-W204 VanDerWaalsContact CB-CZ3 3.42Å; C202-W204 WeakPolarHBondContact O-CZ3 3.41Å; C202-A218 HydrophobicContact CB-CB 4.32Å
203L98.7Very high93.3Very high8 Ų842.2 Ų42.24%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-116.3130.2174.2169.759.6000109.2L192 L193 A218 K219 A220 F222 W234 T256L192-L203 WeakPolarHBondContact O-CA 3.31Å; L192-L203 WeakPolarHBondContact O-CD1 3.18Å; L193-L203 HydrophobicContact CD2-CB 3.9Å; L193-L203 HydrophobicContact CD2-CD1 4.08Å; L203-A218 CarbonylContact O-C 3.59Å; L203-K219 WeakPolarHBondContact O-CA 3.41Å; L203-K219 WeakPolarHBondContact O-CB 3.42Å; L203-K219 PolarHBondContact O-N 2.8Å; L203-A220 HydrophobicContact CB-CB 4.25Å; L203-A220 HydrophobicContact CD2-CB 4.43Å; L203-A220 PolarHBondContact N-O 3.4Å; L203-A220 PolarHBondContact O-N 3.29Å; L203-F222 HydrophobicContact CB-CE2 3.94Å; L203-W234 HydrophobicContact CD1-CH2 4.09Å; L203-W234 HydrophobicContact CD1-CZ2 3.55Å; L203-T256 HydrophobicContact CD2-CG2 4.01Å
204W98.3Very high93.1Very high0 Ų046.2 Ų46.20%027%0.265CS..EExtended strand (participates in β ladder)trans-119.2155.7170.5-61.3-96.3000111.6V148 L172 R173 H175 H191 L192 S194 C202 D217 A218V148-W204 HydrophobicContact CG2-CH2 3.83Å; V148-W204 HydrophobicContact CG2-CZ2 4.47Å; V148-W204 HydrophobicContact CG2-CZ3 4.2Å; L172-W204 HydrophobicContact CB-CD2 3.95Å; L172-W204 HydrophobicContact CB-CG 3.99Å; L172-W204 HydrophobicContact CB-CZ2 4.18Å; L172-W204 HydrophobicContact CD1-CB 4.19Å; L172-W204 HydrophobicContact CD1-CD2 4.08Å; L172-W204 HydrophobicContact CD1-CE3 4.33Å; L172-W204 HydrophobicContact CD1-CG 4.02Å; L172-W204 HydrophobicContact CG-CG 4.44Å; R173-W204 PolarHBondContact O-NE1 2.82Å; H175-W204 AromaticContact CD2-CH2 3.73Å; H175-W204 AromaticContact NE2-CH2 3.85Å; H191-W204 WeakPolarHBondContact CA-O 3.4Å; L192-W204 PolarHBondContact N-O 2.86Å; L192-W204 VanDerWaalsContact N-O 3.1Å; L192-W204 PolarHBondContact O-N 3.19Å; S194-W204 WeakPolarHBondContact OG-CH2 3.29Å; S194-W204 WeakPolarHBondContact OG-CZ3 3.39Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.14Å; C202-W204 HydrophobicContact CB-CH2 3.07Å; C202-W204 HydrophobicContact CB-CZ2 3.48Å; C202-W204 VanDerWaalsContact CB-CZ2 3.48Å; C202-W204 HydrophobicContact CB-CZ3 3.42Å; C202-W204 VanDerWaalsContact CB-CZ3 3.42Å; C202-W204 WeakPolarHBondContact O-CZ3 3.41Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; W204-A218 VanDerWaalsContact CD1-CA 3.43Å; W204-A218 HydrophobicContact CZ2-CB 4.41Å; W204-A218 VanDerWaalsContact NE1-CA 3.3Å; W204-A218 VanDerWaalsContact NE1-N 3.19Å
205D97.5Very high93Very high33 Ų3348.4 Ų48.418%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-121.7101.7164.5176.8-3.7000106.9G190 H191 N207 A208 K219G190-D205 WeakPolarHBondContact O-CA 3.48Å; H191-D205 IonicContact CE1-OD1 2.71Å; H191-D205 IonicContact CE1-OD2 3.78Å; H191-D205 PolarHBondContact CE1-OD2 3.31Å; H191-D205 IonicContact NE2-OD2 3.81Å; D205-N207 PolarHBondContact O-N 2.9Å; D205-N207 WeakPolarHBondContact OD1-CB 3.15Å; D205-N207 PolarHBondContact OD1-N 3.02Å; D205-A208 WeakPolarHBondContact O-CB 3.39Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 PolarHBondContact OD1-N 3.31Å; D205-K219 HydrophobicContact CB-CD 3.92Å; D205-K219 IonicContact OD2-NZ 3.63Å
206I96.8Very high92.9Very high16 Ų1648.8 Ų48.88%0.08228%0.279CS..G310 helixtrans-71-18.6-175.872.1165.2000112.2M132 I138 L170 L172 W184 G190 A208 G209M132-I206 HydrophobicContact SD-CD1 4.44Å; I138-I206 HydrophobicContact CG2-CD1 4.39Å; L170-I206 HydrophobicContact CD1-CB 3.79Å; L170-I206 HydrophobicContact CD1-CD1 4.42Å; L170-I206 HydrophobicContact CD1-CG2 4.22Å; L172-I206 HydrophobicContact CD1-CG2 4.26Å; L172-I206 HydrophobicContact CD2-CG2 3.95Å; W184-I206 HydrophobicContact CH2-CD1 3.9Å; W184-I206 HydrophobicContact CH2-CG2 4.35Å; W184-I206 HydrophobicContact CZ3-CD1 4.12Å; W184-I206 HydrophobicContact CZ3-CG1 4.48Å; W184-I206 HydrophobicContact CZ3-CG2 4.47Å; G190-I206 PolarHBondContact O-N 2.94Å; I206-A208 VanDerWaalsContact C-N 3.31Å; I206-G209 PolarHBondContact O-N 3.03Å
207N95.3Very high92.8Very high103 Ų10352.1 Ų52.155%0.55130%0.297SS*.G310 helixtrans-78.5-18.5-179.4-66.1-45.1000112.3S189 D205 G209S189-N207 PolarHBondContact O-ND2 3.23Å; D205-N207 PolarHBondContact O-N 2.9Å; D205-N207 WeakPolarHBondContact OD1-CB 3.15Å; D205-N207 PolarHBondContact OD1-N 3.02Å; N207-G209 PolarHBondContact O-N 3.4Å; N207-G209 VanDerWaalsContact O-N 3.08Å
208A89.3Confident92.7Very high81 Ų8151.4 Ų51.467%0.66930%0.297SS*.G310 helixtrans-61.4-13.8171.100000112.6D205 I206D205-A208 WeakPolarHBondContact O-CB 3.39Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 PolarHBondContact OD1-N 3.31Å; I206-A208 VanDerWaalsContact C-N 3.31Å
209G79.6Confident92.6Very high31 Ų3156 Ų5632%0.3232%0.315SS..  trans74.7155.9-179.700000112.5I206 N207I206-G209 PolarHBondContact O-N 3.03Å; N207-G209 PolarHBondContact O-N 3.4Å; N207-G209 VanDerWaalsContact O-N 3.08Å
210P79.4Confident92.5Very high54 Ų5453.7 Ų53.735%0.35131%0.308SS..  trans-69.7137.8175.729.2-33.5000110.6L170 E212 G213 I215 V216L170-P210 HydrophobicContact CD2-CG 4.33Å; P210-E212 VanDerWaalsContact C-N 3.34Å; P210-G213 VanDerWaalsContact CB-O 3.31Å; P210-G213 WeakPolarHBondContact CB-O 3.46Å; P210-G213 WeakPolarHBondContact CG-O 3.42Å; P210-I215 WeakPolarHBondContact CA-O 3.3Å; P210-I215 WeakPolarHBondContact CB-O 3.25Å; P210-V216 HydrophobicContact CB-CG2 4.21Å
211K73.2Confident92.5Very high180 Ų18056 Ų5678%0.78332%0.319SS*.SBendtrans-72.7-32.3173.8-68177.7-171.1156.80111.8I215 D217K211-I215 PolarHBondContact N-O 2.93Å; K211-D217 IonicContact NZ-OD2 2.93Å; K211-D217 PolarHBondContact NZ-OD2 2.97Å
212E76.7Confident92.5Very high156 Ų15656.2 Ų56.273%0.72932%0.32SS*.BIsolated β-bridgetrans-144.4123.6-178.2-174.5177.3-176.700109.4P210 K214 I215P210-E212 VanDerWaalsContact C-N 3.34Å; E212-K214 PolarHBondContact O-N 3.41Å; E212-K214 VanDerWaalsContact O-N 3.15Å; E212-I215 PolarHBondContact O-N 3.46Å
213G87.9Confident92.5Very high68 Ų6859.8 Ų59.870%0.70134%0.342SS*.THydrogen-bonded Turntrans56.4-118.6178.600000112.7P210P210-G213 VanDerWaalsContact CB-O 3.31Å; P210-G213 WeakPolarHBondContact CB-O 3.46Å; P210-G213 WeakPolarHBondContact CG-O 3.42Å
214K94Very high92.5Very high84 Ų8460.6 Ų60.637%0.36535%0.352SS..THydrogen-bonded Turntrans-110.112.6179.3-65.7-177.5166.6-168.80113.1N167 P168 D169 L170 R171 E212N167-K214 PolarHBondContact OD1-NZ 2.97Å; P168-K214 VanDerWaalsContact O-CD 3.24Å; P168-K214 WeakPolarHBondContact O-CD 3.45Å; P168-K214 PolarHBondContact O-NZ 3.01Å; D169-K214 WeakPolarHBondContact O-CD 3.34Å; L170-K214 CarbonylContact C-O 3.57Å; L170-K214 WeakPolarHBondContact CA-O 3.37Å; R171-K214 PolarHBondContact N-O 3.38Å; E212-K214 PolarHBondContact O-N 3.41Å; E212-K214 VanDerWaalsContact O-N 3.15Å
215I95.9Very high92.5Very high46 Ų4661.1 Ų61.124%0.23635%0.354CS..EExtended strand (participates in β ladder)trans-96.7130.6-171.6-59.4169.6000110.7R171 R173 P210 K211 E212R171-I215 WeakPolarHBondContact O-CA 3.26Å; R173-I215 HydrophobicContact CB-CG2 4.26Å; P210-I215 WeakPolarHBondContact CA-O 3.3Å; P210-I215 WeakPolarHBondContact CB-O 3.25Å; K211-I215 PolarHBondContact N-O 2.93Å; E212-I215 PolarHBondContact O-N 3.46Å
216V96.8Very high92.5Very high9 Ų963.3 Ų63.36%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-120.4118.4173.7-176.20000108.7L170 R171 L172 R173 P210L170-V216 HydrophobicContact CD1-CG2 4.43Å; L170-V216 HydrophobicContact CD2-CG2 4.18Å; R171-V216 PolarHBondContact O-N 3.17Å; L172-V216 CarbonylContact C-O 3.56Å; L172-V216 WeakPolarHBondContact CA-O 3.42Å; L172-V216 HydrophobicContact CD2-CB 3.73Å; L172-V216 HydrophobicContact CD2-CG1 4.38Å; L172-V216 HydrophobicContact CD2-CG2 4.11Å; R173-V216 PolarHBondContact N-O 2.93Å; P210-V216 HydrophobicContact CB-CG2 4.21Å
217D96.4Very high92.6Very high69 Ų6963.6 Ų63.637%0.36938%0.377SS..EExtended strand (participates in β ladder)trans-77152.4175.3-56.1-54.9000111.3R173 W204 K211 K219R173-D217 CarbonylContact O-C 3.57Å; R173-D217 WeakPolarHBondContact O-CA 3.22Å; W204-D217 VanDerWaalsContact CD1-C 3.48Å; K211-D217 IonicContact NZ-OD2 2.93Å; K211-D217 PolarHBondContact NZ-OD2 2.97Å; D217-K219 PolarHBondContact O-N 3.03Å
218A97.3Very high92.8Very high25 Ų2559.9 Ų59.921%0.20736%0.358CS..  trans-55.5130.3174.500000111.2R173 C202 L203 W204 I221R173-A218 PolarHBondContact O-N 3.45Å; C202-A218 HydrophobicContact CB-CB 4.32Å; L203-A218 CarbonylContact O-C 3.59Å; W204-A218 VanDerWaalsContact CD1-CA 3.43Å; W204-A218 HydrophobicContact CZ2-CB 4.41Å; W204-A218 VanDerWaalsContact NE1-CA 3.3Å; W204-A218 VanDerWaalsContact NE1-N 3.19Å; A218-I221 HydrophobicContact CB-CD1 4.32Å; A218-I221 HydrophobicContact CB-CG1 3.89Å
219K96.3Very high93.3Very high123 Ų12356 Ų5654%0.53533%0.326SS..SBendtrans-70.3-37.1172.6177.6176.2176.1173.50110.8H191 L203 D205 D217H191-K219 PolarHBondContact NE2-NZ 3.02Å; L203-K219 WeakPolarHBondContact O-CA 3.41Å; L203-K219 WeakPolarHBondContact O-CB 3.42Å; L203-K219 PolarHBondContact O-N 2.8Å; D205-K219 HydrophobicContact CB-CD 3.92Å; D205-K219 IonicContact OD2-NZ 3.63Å; D217-K219 PolarHBondContact O-N 3.03Å
220A97.8Very high94.2Very high21 Ų2156.4 Ų56.417%0.17432%0.319CS..EExtended strand (participates in β ladder)trans-148.7149.3174.300000110.9L203 F222 T261L203-A220 HydrophobicContact CB-CB 4.25Å; L203-A220 HydrophobicContact CD2-CB 4.43Å; L203-A220 PolarHBondContact N-O 3.4Å; L203-A220 PolarHBondContact O-N 3.29Å; A220-F222 HydrophobicContact CB-CE2 3.95Å; A220-F222 HydrophobicContact CB-CZ 4.04Å; A220-T261 HydrophobicContact CB-CG2 4.14Å
221I98.5Very high95.1Very high66 Ų6654.6 Ų54.634%0.33831%0.307SS..EExtended strand (participates in β ladder)trans-126.4117.9175.3-52.8-177.4000107.7T200 V201 A218 T223 T261T200-I221 HydrophobicContact CG2-CG2 4.06Å; V201-I221 CarbonylContact O-C 3.48Å; V201-I221 WeakPolarHBondContact O-CA 3.39Å; A218-I221 HydrophobicContact CB-CD1 4.32Å; A218-I221 HydrophobicContact CB-CG1 3.89Å; I221-T223 HydrophobicContact CG2-CG2 4.26Å; I221-T261 WeakPolarHBondContact O-CB 3.47Å; I221-T261 PolarHBondContact O-OG1 2.97Å
222F98.7Very high96.3Very high8 Ų846.1 Ų46.14%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-96.3131.3-178.8-54.8-94.2000110.5T200 V201 L203 A220 F242 W254 T256 T261T200-F222 VanDerWaalsContact CA-O 3.27Å; T200-F222 WeakPolarHBondContact CA-O 3.46Å; T200-F222 VanDerWaalsContact CB-O 3.32Å; T200-F222 WeakPolarHBondContact CB-O 3.37Å; V201-F222 HydrophobicContact CB-CB 4.18Å; V201-F222 HydrophobicContact CB-CD2 4.26Å; V201-F222 HydrophobicContact CG1-CD2 4.26Å; V201-F222 PolarHBondContact N-O 3.14Å; V201-F222 VanDerWaalsContact N-O 3.09Å; V201-F222 WeakPolarHBondContact O-CD2 3.33Å; V201-F222 PolarHBondContact O-N 3.31Å; L203-F222 HydrophobicContact CB-CE2 3.94Å; A220-F222 HydrophobicContact CB-CE2 3.95Å; A220-F222 HydrophobicContact CB-CZ 4.04Å; F222-F242 AromaticContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD2-CE1 4.42Å; F222-F242 AromaticContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CE1-CE1 4.02Å; F222-F242 AromaticContact CE1-CZ 3.92Å; F222-F242 HydrophobicContact CE1-CZ 3.92Å; F222-F242 AromaticContact CE2-CE1 3.89Å; F222-F242 HydrophobicContact CE2-CE1 3.89Å; F222-F242 AromaticContact CE2-CZ 3.64Å; F222-F242 HydrophobicContact CE2-CZ 3.64Å; F222-F242 AromaticContact CG-CZ 3.91Å; F222-F242 HydrophobicContact CG-CZ 3.91Å; F222-F242 AromaticContact CZ-CE1 3.67Å; F222-F242 HydrophobicContact CZ-CE1 3.67Å; F222-F242 AromaticContact CZ-CZ 3.75Å; F222-F242 HydrophobicContact CZ-CZ 3.75Å; F222-W254 HydrophobicContact CB-CE3 4.29Å; F222-W254 HydrophobicContact CB-CH2 4.03Å; F222-W254 HydrophobicContact CB-CZ2 4.31Å; F222-W254 HydrophobicContact CB-CZ3 4.03Å; F222-W254 HydrophobicContact CD1-CD2 4.13Å; F222-W254 AromaticContact CD1-CE3 3.55Å; F222-W254 HydrophobicContact CD1-CE3 3.55Å; F222-W254 AromaticContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CE1-CE3 4.31Å; F222-W254 HydrophobicContact CG-CE3 4.26Å; F222-W254 HydrophobicContact CG-CZ3 4.42Å; F222-T256 HydrophobicContact CZ-CG2 4.25Å; F222-T261 CarbonylContact C-O 3.44Å; F222-T261 WeakPolarHBondContact CA-O 3.1Å; F222-T261 HydrophobicContact CD1-CG2 4.05Å; F222-T261 HydrophobicContact CE1-CG2 3.96Å; F222-T261 HydrophobicContact CZ-CG2 4.49Å
223T98.4Very high97.4Very high75 Ų7539.2 Ų39.246%0.4624%0.24SC..  trans-129.234.6-164.248.70000112.6T200 I221 T261T200-T223 HydrophobicContact CG2-CG2 3.99Å; I221-T223 HydrophobicContact CG2-CG2 4.26Å; T223-T261 PolarHBondContact N-O 3.3Å
224G98Very high97.9Very high24 Ų2436.2 Ų36.225%0.24721%0.207CC..  trans-85.4-33.4-176.800000114.9M252G224-M252 VanDerWaalsContact C-CE 3.45Å; G224-M252 VanDerWaalsContact O-CE 3.26Å; G224-M252 WeakPolarHBondContact O-CE 3.42Å
225H98.6Very high98.1Very high12 Ų1232.2 Ų32.26%0.05619%0.19CC..  trans-74148.2-179.9-75.2-76.6000111.8V229 S244 A246 D248 M252H225-V229 HydrophobicContact CB-CG2 3.75Å; H225-S244 PolarHBondContact CD2-OG 3.21Å; H225-S244 PolarHBondContact NE2-OG 3.43Å; H225-A246 HydrophobicContact CB-CB 4.17Å; H225-A246 WeakPolarHBondContact ND1-CB 3.46Å; H225-D248 IonicContact CE1-OD1 2.99Å; H225-D248 IonicContact CG-OD1 3.04Å; H225-D248 IonicContact ND1-OD1 3.8Å; H225-D248 PolarHBondContact ND1-OD1 2.82Å; H225-D248 IonicContact ND1-OD2 3.78Å; H225-D248 PolarHBondContact ND1-OD2 3.05Å; H225-M252 HydrophobicContact CB-CE 4.36Å; H225-M252 WeakPolarHBondContact ND1-CE 3.25Å
226S98.4Very high98.2Very high79 Ų7932.8 Ų32.855%0.55219%0.193SC*.SBendtrans-102.2-2.6179.546.70000114.6H199 D248 K250H199-S226 PolarHBondContact ND1-O 2.84Å; S226-D248 PolarHBondContact N-OD2 3.21Å; S226-D248 WeakPolarHBondContact OG-CB 3.49Å; S226-D248 PolarHBondContact OG-OD2 2.92Å; S226-D248 VanDerWaalsContact OG-OD2 3.1Å; S226-K250 PolarHBondContact OG-NZ 2.89Å
227A98.7Very high98.2Very high22 Ų2236.1 Ų36.118%0.18221%0.21CC..SBendtrans-141.9-175.9179.600000110.1H199 V229 D247 D248H199-A227 WeakPolarHBondContact CA-O 3.2Å; H199-A227 WeakPolarHBondContact CB-O 2.83Å; H199-A227 PolarHBondContact CD2-O 2.81Å; H199-A227 VanDerWaalsContact CG-C 3.46Å; H199-A227 VanDerWaalsContact CG-O 3.32Å; A227-V229 PolarHBondContact O-N 2.81Å; A227-D247 HydrophobicContact CB-CB 3.63Å; A227-D248 HydrophobicContact CB-CB 3.95Å
228V98.8Very high98.3Very high24 Ų2435.6 Ų35.615%0.14521%0.205CC..  trans-51.8128180175.40000110D197 H199 E230 A246 D247D197-V228 HydrophobicContact CB-CG1 4.36Å; D197-V228 HydrophobicContact CB-CG2 4.3Å; H199-V228 PolarHBondContact CD2-N 2.84Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.37Å; V228-A246 CarbonylContact O-C 3.57Å; V228-A246 WeakPolarHBondContact O-CA 3.48Å; V228-A246 WeakPolarHBondContact O-CB 3.41Å; V228-D247 HydrophobicContact CB-CB 4.47Å; V228-D247 PolarHBondContact O-N 3.17Å
229V98.9Very high98.3Very high1 Ų139.3 Ų39.31%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-88.9110.5173.7-167.90000107.1A195 S196 H199 V201 H225 A227 V245 A246A195-V229 HydrophobicContact CB-CB 3.93Å; A195-V229 HydrophobicContact CB-CG1 3.67Å; A195-V229 VanDerWaalsContact CB-O 3.22Å; A195-V229 WeakPolarHBondContact CB-O 3.44Å; S196-V229 PolarHBondContact N-O 2.93Å; S196-V229 PolarHBondContact O-N 2.88Å; S196-V229 VanDerWaalsContact O-N 3.12Å; H199-V229 VanDerWaalsContact C-CG2 3.47Å; V201-V229 HydrophobicContact CG2-CG1 3.82Å; H225-V229 HydrophobicContact CB-CG2 3.75Å; A227-V229 PolarHBondContact O-N 2.81Å; V229-V245 WeakPolarHBondContact CG1-O 3.33Å; V229-A246 HydrophobicContact CG2-CB 4.49Å
230E98.8Very high98.4Very high39 Ų3934 Ų3418%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-75.8-48.2-173.9-72.4-59143.800111.1G181 V228 V245G181-E230 WeakPolarHBondContact CA-O 3.4Å; G181-E230 PolarHBondContact N-O 3.25Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.37Å; E230-V245 PolarHBondContact N-O 3.33Å
231D98.8Very high98.4Very high15 Ų1534.6 Ų34.68%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-143.9156.4-173.7-162.319.9000114G181 S244 V245 N276 C277 L278G181-D231 WeakPolarHBondContact CA-OD1 3.49Å; D231-S244 WeakPolarHBondContact O-CA 3.45Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 3.02Å; D231-V245 PolarHBondContact O-N 3.29Å; D231-N276 WeakPolarHBondContact CB-O 3.41Å; D231-C277 WeakPolarHBondContact OD2-CA 3.43Å; D231-L278 HydrophobicContact CB-CD2 3.94Å; D231-L278 WeakPolarHBondContact OD2-CD2 3.35Å; D231-L278 PolarHBondContact OD2-N 3Å
232V98.9Very high98.4Very high2 Ų231.4 Ų31.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-143.1137.2178.366.20000109.9S183 L193 A195 V201 F242 G243S183-V232 VanDerWaalsContact CB-O 3.23Å; S183-V232 WeakPolarHBondContact CB-O 3.22Å; L193-V232 HydrophobicContact CB-CB 4.48Å; L193-V232 HydrophobicContact CB-CG1 3.81Å; L193-V232 HydrophobicContact CB-CG2 3.77Å; L193-V232 HydrophobicContact CD1-CG2 3.68Å; L193-V232 HydrophobicContact CG-CG2 4.21Å; A195-V232 HydrophobicContact CB-CB 4.3Å; A195-V232 HydrophobicContact CB-CG1 4.21Å; V201-V232 HydrophobicContact CG1-CG2 3.86Å; V232-F242 HydrophobicContact CG2-CD2 3.78Å; V232-F242 HydrophobicContact CG2-CE2 4.22Å; V232-G243 WeakPolarHBondContact CA-O 3.16Å; V232-G243 WeakPolarHBondContact CG2-O 3.06Å
233A98.8Very high98.4Very high12 Ų1231 Ų3110%0.09918%0.179CC..EExtended strand (participates in β ladder)trans-136.812917800000110.7F242 G243 L278 F280A233-F242 CarbonylContact O-C 3.58Å; A233-F242 VanDerWaalsContact O-CA 3.28Å; A233-F242 WeakPolarHBondContact O-CA 3.12Å; A233-F242 VanDerWaalsContact O-CB 3.27Å; A233-F242 WeakPolarHBondContact O-CB 3.4Å; A233-G243 PolarHBondContact N-O 3.37Å; A233-G243 PolarHBondContact O-N 3.24Å; A233-L278 HydrophobicContact CB-CD1 4.3Å; A233-L278 HydrophobicContact CB-CD2 3.76Å; A233-L278 HydrophobicContact CB-CG 3.79Å; A233-F280 HydrophobicContact CB-CD2 3.96Å; A233-F280 HydrophobicContact CB-CE2 4.12Å; A233-F280 VanDerWaalsContact O-CE2 3.26Å; A233-F280 WeakPolarHBondContact O-CE2 3.28Å
234W98.8Very high98.4Very high4 Ų427.5 Ų27.52%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-65.2145.4164.2-77.7103.1000111S183 N185 H191 L193 L203 L236 E239 F242 T256 F280S183-W234 PolarHBondContact O-NE1 2.91Å; S183-W234 PolarHBondContact OG-N 2.79Å; S183-W234 VanDerWaalsContact OG-N 3.08Å; N185-W234 VanDerWaalsContact CA-CD1 3.5Å; N185-W234 HydrophobicContact CB-CD2 3.86Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.14Å; N185-W234 VanDerWaalsContact N-CD1 3.26Å; N185-W234 WeakPolarHBondContact ND2-CH2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.27Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.48Å; H191-W234 HydrophobicContact CB-CZ2 4.31Å; L193-W234 HydrophobicContact CD1-CD2 3.5Å; L193-W234 VanDerWaalsContact CD1-CD2 3.5Å; L193-W234 HydrophobicContact CD1-CE3 4.15Å; L193-W234 HydrophobicContact CD1-CG 3.79Å; L193-W234 HydrophobicContact CD1-CH2 4.35Å; L193-W234 HydrophobicContact CD1-CZ2 3.75Å; L193-W234 VanDerWaalsContact CD1-NE1 3.32Å; L193-W234 HydrophobicContact CD2-CZ2 4.13Å; L193-W234 HydrophobicContact CG-CD2 4.21Å; L193-W234 VanDerWaalsContact CG-CE2 3.42Å; L193-W234 HydrophobicContact CG-CZ2 3.64Å; L193-W234 VanDerWaalsContact CG-NE1 3.3Å; L203-W234 HydrophobicContact CD1-CH2 4.09Å; L203-W234 HydrophobicContact CD1-CZ2 3.55Å; W234-L236 PolarHBondContact O-N 2.8Å; W234-E239 VanDerWaalsContact CZ3-O 3.28Å; W234-E239 WeakPolarHBondContact CZ3-O 3.3Å; W234-F242 HydrophobicContact CD2-CB 4.24Å; W234-F242 HydrophobicContact CE3-CB 3.91Å; W234-F242 HydrophobicContact CZ3-CB 4.4Å; W234-F242 HydrophobicContact CZ3-CD1 4.17Å; W234-T256 HydrophobicContact CH2-CG2 3.83Å; W234-T256 HydrophobicContact CZ3-CG2 4.04Å; W234-F280 WeakPolarHBondContact O-CD2 3.41Å
235H98.5Very high98.5Very high0 Ų026.3 Ų26.30%015%0.145CC..  trans-67.3130.7165.3-166.8-77.3000109.7L237 H238 L241 F280 E285H235-L237 PolarHBondContact ND1-N 2.85Å; H235-L237 VanDerWaalsContact ND1-N 3.15Å; H235-L237 PolarHBondContact O-N 2.87Å; H235-H238 HydrophobicContact CB-CB 4.1Å; H235-H238 AromaticContact CE1-CD2 3.3Å; H235-H238 PolarHBondContact CE1-CD2 2.9Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 AromaticContact CG-CD2 3.98Å; H235-H238 WeakPolarHBondContact ND1-CB 3.18Å; H235-H238 AromaticContact ND1-CD2 3.46Å; H235-H238 PolarHBondContact ND1-CD2 2.87Å; H235-H238 AromaticContact ND1-CG 3.62Å; H235-H238 PolarHBondContact ND1-N 2.79Å; H235-H238 VanDerWaalsContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.73Å; H235-L241 HydrophobicContact CB-CB 3.86Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 2.89Å; H235-F280 HydrophobicContact CB-CD1 4.48Å; H235-F280 HydrophobicContact CB-CG 4.48Å; H235-F280 AromaticContact CD2-CD1 3.32Å; H235-F280 WeakPolarHBondContact CD2-CD1 3.4Å; H235-F280 AromaticContact CD2-CE1 3.59Å; H235-F280 AromaticContact CD2-CG 3.98Å; H235-E285 PolarHBondContact NE2-O 3.19Å
236L97.7Very high98.5Very high58 Ų5825.8 Ų25.830%0.30414%0.143SC..SBendtrans-74-29.1-171.4-61.6177.5000113N187 W234 F280 P282N187-L236 PolarHBondContact ND2-O 2.96Å; W234-L236 PolarHBondContact O-N 2.8Å; L236-F280 WeakPolarHBondContact CD1-O 3.4Å; L236-F280 HydrophobicContact CG-CB 4.45Å; L236-P282 HydrophobicContact CD1-CB 3.74Å; L236-P282 HydrophobicContact CD1-CG 4.47Å
237L97.6Very high98.5Very high80 Ų8024.4 Ų24.442%0.41913%0.129SC..SBendtrans-103.7-3.7-180-53.3174.6000114.5H235 E285H235-L237 PolarHBondContact ND1-N 2.85Å; H235-L237 VanDerWaalsContact ND1-N 3.15Å; H235-L237 PolarHBondContact O-N 2.87Å; L237-E285 HydrophobicContact CD1-CB 4.21Å
238H97.7Very high98.5Very high57 Ų5724.3 Ų24.326%0.26413%0.126SC..  trans-133110.1-174.8-66.6-40.5000109.9H235 S240 L241 E285H235-H238 HydrophobicContact CB-CB 4.1Å; H235-H238 AromaticContact CE1-CD2 3.3Å; H235-H238 PolarHBondContact CE1-CD2 2.9Å; H235-H238 AromaticContact CE1-CG 3.87Å; H235-H238 AromaticContact CG-CD2 3.98Å; H235-H238 WeakPolarHBondContact ND1-CB 3.18Å; H235-H238 AromaticContact ND1-CD2 3.46Å; H235-H238 PolarHBondContact ND1-CD2 2.87Å; H235-H238 AromaticContact ND1-CG 3.62Å; H235-H238 PolarHBondContact ND1-N 2.79Å; H235-H238 VanDerWaalsContact ND1-N 3.13Å; H235-H238 AromaticContact NE2-CD2 3.73Å; H238-S240 PolarHBondContact O-N 3.39Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 HydrophobicContact CB-CG 4.14Å; H238-L241 PolarHBondContact O-N 3.03Å; H238-E285 IonicContact CE1-OE2 3.8Å; H238-E285 IonicContact NE2-OE2 3.57Å
239E97.4Very high98.5Very high103 Ų10326.8 Ų26.848%0.48114%0.136SC..THydrogen-bonded Turntrans-60.6-20-174.560.2174.9-15100115.8N185 N187 L188 W234N185-E239 PolarHBondContact ND2-O 3.37Å; N187-E239 HydrophobicContact CB-CB 3.64Å; L188-E239 HydrophobicContact CD1-CB 3.9Å; L188-E239 HydrophobicContact CD1-CG 4.42Å; L188-E239 HydrophobicContact CD2-CB 4.46Å; L188-E239 WeakPolarHBondContact CD2-OE2 3.32Å; L188-E239 HydrophobicContact CG-CB 3.8Å; W234-E239 VanDerWaalsContact CZ3-O 3.28Å; W234-E239 WeakPolarHBondContact CZ3-O 3.3Å
240S97.8Very high98.5Very high12 Ų1228.7 Ų28.78%0.08414%0.144CC..THydrogen-bonded Turntrans-108.8-10.5-171.748.60000114.1H238 T256 R257H238-S240 PolarHBondContact O-N 3.39Å; S240-T256 VanDerWaalsContact CA-OG1 3.27Å; S240-T256 WeakPolarHBondContact CA-OG1 3.28Å; S240-T256 WeakPolarHBondContact CB-OG1 3.48Å; S240-T256 PolarHBondContact O-N 2.87Å; S240-T256 PolarHBondContact O-OG1 3.08Å; S240-R257 PolarHBondContact OG-NE 3.05Å
241L98.3Very high98.5Very high33 Ų3326.8 Ų26.817%0.17314%0.135CC..EExtended strand (participates in β ladder)trans-102.2141.4-176.7-61.8-176.3000111.2H235 H238 W254 D255H235-L241 HydrophobicContact CB-CB 3.86Å; H235-L241 WeakPolarHBondContact CB-O 3.48Å; H235-L241 PolarHBondContact N-O 2.89Å; H238-L241 HydrophobicContact CB-CB 4.16Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 HydrophobicContact CB-CG 4.14Å; H238-L241 PolarHBondContact O-N 3.03Å; L241-W254 WeakPolarHBondContact CA-O 3.19Å; L241-D255 HydrophobicContact CD2-CB 3.66Å
242F98.8Very high98.5Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-148.2160.7170.370.8-92000110.5L193 V201 F222 V232 A233 W234 W254 T256L193-F242 HydrophobicContact CD1-CB 3.43Å; L193-F242 VanDerWaalsContact CD1-CB 3.43Å; L193-F242 HydrophobicContact CD1-CD1 3.87Å; L193-F242 HydrophobicContact CD1-CD2 3.66Å; L193-F242 HydrophobicContact CD1-CE2 4.33Å; L193-F242 HydrophobicContact CD1-CG 3.39Å; L193-F242 HydrophobicContact CD2-CD1 4.35Å; L193-F242 HydrophobicContact CD2-CD2 4.45Å; L193-F242 HydrophobicContact CD2-CE1 4.23Å; L193-F242 HydrophobicContact CD2-CE2 4.33Å; L193-F242 HydrophobicContact CD2-CG 4.46Å; L193-F242 HydrophobicContact CD2-CZ 4.22Å; V201-F242 HydrophobicContact CG1-CE2 3.93Å; V201-F242 HydrophobicContact CG1-CZ 4.37Å; F222-F242 AromaticContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD1-CZ 4Å; F222-F242 HydrophobicContact CD2-CE1 4.42Å; F222-F242 AromaticContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CD2-CZ 3.72Å; F222-F242 HydrophobicContact CE1-CE1 4.02Å; F222-F242 AromaticContact CE1-CZ 3.92Å; F222-F242 HydrophobicContact CE1-CZ 3.92Å; F222-F242 AromaticContact CE2-CE1 3.89Å; F222-F242 HydrophobicContact CE2-CE1 3.89Å; F222-F242 AromaticContact CE2-CZ 3.64Å; F222-F242 HydrophobicContact CE2-CZ 3.64Å; F222-F242 AromaticContact CG-CZ 3.91Å; F222-F242 HydrophobicContact CG-CZ 3.91Å; F222-F242 AromaticContact CZ-CE1 3.67Å; F222-F242 HydrophobicContact CZ-CE1 3.67Å; F222-F242 AromaticContact CZ-CZ 3.75Å; F222-F242 HydrophobicContact CZ-CZ 3.75Å; V232-F242 HydrophobicContact CG2-CD2 3.78Å; V232-F242 HydrophobicContact CG2-CE2 4.22Å; A233-F242 CarbonylContact O-C 3.58Å; A233-F242 VanDerWaalsContact O-CA 3.28Å; A233-F242 WeakPolarHBondContact O-CA 3.12Å; A233-F242 VanDerWaalsContact O-CB 3.27Å; A233-F242 WeakPolarHBondContact O-CB 3.4Å; W234-F242 HydrophobicContact CD2-CB 4.24Å; W234-F242 HydrophobicContact CE3-CB 3.91Å; W234-F242 HydrophobicContact CZ3-CB 4.4Å; W234-F242 HydrophobicContact CZ3-CD1 4.17Å; F242-W254 HydrophobicContact CD1-CB 3.73Å; F242-W254 HydrophobicContact CD2-CB 4.02Å; F242-W254 AromaticContact CD2-CD1 3.59Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.31Å; F242-W254 AromaticContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE2-CB 3.63Å; F242-W254 AromaticContact CE2-CD1 3.13Å; F242-W254 HydrophobicContact CE2-CD2 4.22Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.8Å; F242-W254 HydrophobicContact CG-CB 4.07Å; F242-W254 HydrophobicContact CZ-CB 3.25Å; F242-W254 AromaticContact CZ-CD1 3.63Å; F242-W254 HydrophobicContact CZ-CD2 4.03Å; F242-W254 AromaticContact CZ-CG 3.34Å; F242-W254 HydrophobicContact CZ-CG 3.34Å; F242-W254 PolarHBondContact N-O 3.03Å; F242-W254 VanDerWaalsContact N-O 3.15Å; F242-W254 PolarHBondContact O-N 3.41Å; F242-T256 HydrophobicContact CD1-CG2 3.98Å; F242-T256 HydrophobicContact CE1-CG2 3.8Å
243G98.8Very high98.5Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-112.8151.6173.100000111V232 A233 M252V232-G243 WeakPolarHBondContact CA-O 3.16Å; V232-G243 WeakPolarHBondContact CG2-O 3.06Å; A233-G243 PolarHBondContact N-O 3.37Å; A233-G243 PolarHBondContact O-N 3.24Å; G243-M252 CarbonylContact C-O 3.47Å; G243-M252 VanDerWaalsContact CA-O 3.24Å; G243-M252 WeakPolarHBondContact CA-O 3.42Å
244S98.9Very high98.5Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-135.4150.9167.563.50000110.9H225 D231 M252 W254H225-S244 PolarHBondContact CD2-OG 3.21Å; H225-S244 PolarHBondContact NE2-OG 3.43Å; D231-S244 WeakPolarHBondContact O-CA 3.45Å; S244-M252 PolarHBondContact N-O 2.67Å; S244-M252 PolarHBondContact O-N 3.13Å; S244-W254 PolarHBondContact OG-NE1 3.11Å
245V98.9Very high98.4Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-136.4154179.8-66.40000110.4V229 E230 D231 K250 L251 V275 L278 T290V229-V245 WeakPolarHBondContact CG1-O 3.33Å; E230-V245 PolarHBondContact N-O 3.33Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 3.02Å; D231-V245 PolarHBondContact O-N 3.29Å; V245-K250 WeakPolarHBondContact CA-O 3.22Å; V245-L251 HydrophobicContact CG1-CB 4.41Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; V245-V275 CarbonylContact C-O 3.59Å; V245-V275 HydrophobicContact CB-CB 3.81Å; V245-V275 HydrophobicContact CB-CG1 3.49Å; V245-V275 VanDerWaalsContact CB-CG1 3.49Å; V245-V275 WeakPolarHBondContact CB-O 3.42Å; V245-V275 HydrophobicContact CG1-CB 4.26Å; V245-V275 HydrophobicContact CG1-CG1 3.51Å; V245-V275 HydrophobicContact CG2-CG1 4.03Å; V245-V275 WeakPolarHBondContact CG2-O 3.47Å; V245-L278 HydrophobicContact CG1-CB 3.99Å; V245-L278 HydrophobicContact CG1-CD1 4.14Å; V245-L278 HydrophobicContact CG1-CG 4.46Å; V245-L278 HydrophobicContact CG2-CB 4.39Å; V245-L278 HydrophobicContact CG2-CD2 4.04Å; V245-T290 HydrophobicContact CG1-CG2 4.07Å
246A98.9Very high98.4Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-157.2170-166.700000112.6H225 V228 V229 D248 Q249 V275H225-A246 HydrophobicContact CB-CB 4.17Å; H225-A246 WeakPolarHBondContact ND1-CB 3.46Å; V228-A246 CarbonylContact O-C 3.57Å; V228-A246 WeakPolarHBondContact O-CA 3.48Å; V228-A246 WeakPolarHBondContact O-CB 3.41Å; V229-A246 HydrophobicContact CG2-CB 4.49Å; A246-D248 WeakPolarHBondContact CB-OD1 3.32Å; A246-D248 PolarHBondContact O-N 3.24Å; A246-D248 VanDerWaalsContact O-N 3.14Å; A246-Q249 PolarHBondContact O-N 2.95Å; A246-V275 PolarHBondContact N-O 3.4Å; A246-V275 PolarHBondContact O-N 3.27Å
247D98.8Very high98.3Very high50 Ų5034.8 Ų34.827%0.26717%0.165SC..THydrogen-bonded Turntrans-60.2-18.6171.3-78.82.1000113.8A227 V228 Q249 E274A227-D247 HydrophobicContact CB-CB 3.63Å; V228-D247 HydrophobicContact CB-CB 4.47Å; V228-D247 PolarHBondContact O-N 3.17Å; D247-Q249 PolarHBondContact O-N 2.93Å; D247-Q249 VanDerWaalsContact O-N 3.1Å; D247-E274 HydrophobicContact CB-CG 3.99Å; D247-E274 WeakPolarHBondContact OD1-CG 3.17Å
248D98.7Very high98.2Very high21 Ų2133.4 Ų33.411%0.11216%0.162CC..THydrogen-bonded Turntrans-75.68.8174.777.5-10.3000113.4H225 S226 A227 A246 K250H225-D248 IonicContact CE1-OD1 2.99Å; H225-D248 IonicContact CG-OD1 3.04Å; H225-D248 IonicContact ND1-OD1 3.8Å; H225-D248 PolarHBondContact ND1-OD1 2.82Å; H225-D248 IonicContact ND1-OD2 3.78Å; H225-D248 PolarHBondContact ND1-OD2 3.05Å; S226-D248 PolarHBondContact N-OD2 3.21Å; S226-D248 WeakPolarHBondContact OG-CB 3.49Å; S226-D248 PolarHBondContact OG-OD2 2.92Å; S226-D248 VanDerWaalsContact OG-OD2 3.1Å; A227-D248 HydrophobicContact CB-CB 3.95Å; A246-D248 WeakPolarHBondContact CB-OD1 3.32Å; A246-D248 PolarHBondContact O-N 3.24Å; A246-D248 VanDerWaalsContact O-N 3.14Å; D248-K250 WeakPolarHBondContact O-CG 3.47Å; D248-K250 PolarHBondContact O-N 2.61Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 2.82Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 2.9Å
249Q98.7Very high97.9Very high76 Ų7639.1 Ų39.136%0.35520%0.195SC..SBendtrans71.811.6173.6-44.4-179.5-13.500113.8A246 D247 A270 H271 T272 A273A246-Q249 PolarHBondContact O-N 2.95Å; D247-Q249 PolarHBondContact O-N 2.93Å; D247-Q249 VanDerWaalsContact O-N 3.1Å; Q249-A270 PolarHBondContact O-N 3.41Å; Q249-H271 PolarHBondContact O-N 2.8Å; Q249-T272 PolarHBondContact NE2-O 2.96Å; Q249-A273 WeakPolarHBondContact CG-O 3.14Å
250K98.6Very high97.8Very high40 Ų4036.7 Ų36.717%0.17419%0.187CC..EExtended strand (participates in β ladder)trans-104.4146.4-170.7-60.1179.3-153.6131.90112.8S226 V245 D248 M252 L267 V268S226-K250 PolarHBondContact OG-NZ 2.89Å; V245-K250 WeakPolarHBondContact CA-O 3.22Å; D248-K250 WeakPolarHBondContact O-CG 3.47Å; D248-K250 PolarHBondContact O-N 2.61Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 2.82Å; D248-K250 IonicContact OD2-NZ 3.3Å; D248-K250 PolarHBondContact OD2-NZ 2.9Å; K250-M252 HydrophobicContact CB-CE 4.42Å; K250-M252 HydrophobicContact CD-CE 4.03Å; K250-L267 HydrophobicContact CB-CD1 4.38Å; K250-L267 HydrophobicContact CD-CD1 3.55Å; K250-L267 HydrophobicContact CD-CG 4.31Å; K250-L267 HydrophobicContact CG-CD1 4.44Å; K250-V268 CarbonylContact C-O 3.57Å; K250-V268 WeakPolarHBondContact CA-O 3.37Å; K250-V268 WeakPolarHBondContact CB-O 3.46Å
251L98.8Very high97.8Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-99.6124.7158.8168.965.9000108.3V245 I253 V268 A270 L278 L288 T290 W300 L305V245-L251 HydrophobicContact CG1-CB 4.41Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; L251-I253 HydrophobicContact CD1-CD1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.27Å; L251-V268 HydrophobicContact CB-CB 4.25Å; L251-V268 PolarHBondContact N-O 3.42Å; L251-V268 PolarHBondContact O-N 3.19Å; L251-A270 HydrophobicContact CB-CB 3.72Å; L251-L278 HydrophobicContact CD1-CD1 4.04Å; L251-L288 HydrophobicContact CD1-CD1 4.1Å; L251-L288 HydrophobicContact CD2-CD1 3.97Å; L251-T290 HydrophobicContact CD1-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 4.27Å; L251-W300 HydrophobicContact CD2-CD2 4.34Å; L251-W300 HydrophobicContact CD2-CG 4.26Å; L251-L305 HydrophobicContact CD2-CD2 4.38Å
252M98.7Very high97.7Very high2 Ų240.5 Ų40.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-114.5133.1172.7-64-165.2-16800110.5G224 H225 G243 S244 K250 W254 P264 H266 L267G224-M252 VanDerWaalsContact C-CE 3.45Å; G224-M252 VanDerWaalsContact O-CE 3.26Å; G224-M252 WeakPolarHBondContact O-CE 3.42Å; H225-M252 HydrophobicContact CB-CE 4.36Å; H225-M252 WeakPolarHBondContact ND1-CE 3.25Å; G243-M252 CarbonylContact C-O 3.47Å; G243-M252 VanDerWaalsContact CA-O 3.24Å; G243-M252 WeakPolarHBondContact CA-O 3.42Å; S244-M252 PolarHBondContact N-O 2.67Å; S244-M252 PolarHBondContact O-N 3.13Å; K250-M252 HydrophobicContact CB-CE 4.42Å; K250-M252 HydrophobicContact CD-CE 4.03Å; M252-W254 HydrophobicContact CB-CZ2 4.01Å; M252-W254 HydrophobicContact CG-CZ2 4.4Å; M252-W254 HydrophobicContact SD-CH2 4.11Å; M252-W254 HydrophobicContact SD-CZ2 3.5Å; M252-W254 VanDerWaalsContact SD-CZ2 3.5Å; M252-P264 HydrophobicContact CB-CB 3.95Å; M252-P264 HydrophobicContact CB-CG 4.31Å; M252-P264 HydrophobicContact CG-CB 4.33Å; M252-P264 HydrophobicContact CG-CG 4.13Å; M252-P264 HydrophobicContact SD-CB 4.22Å; M252-P264 HydrophobicContact SD-CG 3.77Å; M252-H266 WeakPolarHBondContact CA-O 3.16Å; M252-L267 HydrophobicContact CE-CD1 3.28Å; M252-L267 HydrophobicContact CG-CD1 3.67Å; M252-L267 HydrophobicContact SD-CD1 3.9Å
253I98.6Very high97.6Very high5 Ų547.7 Ų47.73%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-107.9130.5171.7-52.4-60.2000108.8L251 P264 S265 H266 F280 L288 L302 L305L251-I253 HydrophobicContact CD1-CD1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.27Å; I253-P264 WeakPolarHBondContact O-CB 3.18Å; I253-S265 WeakPolarHBondContact O-CA 3.47Å; I253-S265 WeakPolarHBondContact O-CB 3.28Å; I253-S265 PolarHBondContact O-N 3.33Å; I253-H266 HydrophobicContact CB-CB 4.01Å; I253-H266 HydrophobicContact CG1-CB 4.14Å; I253-H266 PolarHBondContact N-O 3.18Å; I253-H266 PolarHBondContact O-N 2.99Å; I253-H266 VanDerWaalsContact O-N 3.16Å; I253-F280 HydrophobicContact CD1-CE1 4.49Å; I253-F280 HydrophobicContact CD1-CZ 4.1Å; I253-L288 HydrophobicContact CD1-CD1 4.14Å; I253-L302 HydrophobicContact CD1-CD2 3.8Å; I253-L302 HydrophobicContact CG1-CD2 3.85Å; I253-L302 HydrophobicContact CG2-CD2 4.47Å; I253-L305 HydrophobicContact CG1-CD1 3.84Å
254W98.7Very high97.5Very high4 Ų448.7 Ų48.72%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-118.7145-173.5-56.589.4000110.5F222 L241 F242 S244 M252 T261 P264F222-W254 HydrophobicContact CB-CE3 4.29Å; F222-W254 HydrophobicContact CB-CH2 4.03Å; F222-W254 HydrophobicContact CB-CZ2 4.31Å; F222-W254 HydrophobicContact CB-CZ3 4.03Å; F222-W254 HydrophobicContact CD1-CD2 4.13Å; F222-W254 AromaticContact CD1-CE3 3.55Å; F222-W254 HydrophobicContact CD1-CE3 3.55Å; F222-W254 AromaticContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CD1-CZ3 3.87Å; F222-W254 HydrophobicContact CE1-CE3 4.31Å; F222-W254 HydrophobicContact CG-CE3 4.26Å; F222-W254 HydrophobicContact CG-CZ3 4.42Å; L241-W254 WeakPolarHBondContact CA-O 3.19Å; F242-W254 HydrophobicContact CD1-CB 3.73Å; F242-W254 HydrophobicContact CD2-CB 4.02Å; F242-W254 AromaticContact CD2-CD1 3.59Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.31Å; F242-W254 AromaticContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE1-CG 3.97Å; F242-W254 HydrophobicContact CE2-CB 3.63Å; F242-W254 AromaticContact CE2-CD1 3.13Å; F242-W254 HydrophobicContact CE2-CD2 4.22Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.8Å; F242-W254 HydrophobicContact CG-CB 4.07Å; F242-W254 HydrophobicContact CZ-CB 3.25Å; F242-W254 AromaticContact CZ-CD1 3.63Å; F242-W254 HydrophobicContact CZ-CD2 4.03Å; F242-W254 AromaticContact CZ-CG 3.34Å; F242-W254 HydrophobicContact CZ-CG 3.34Å; F242-W254 PolarHBondContact N-O 3.03Å; F242-W254 VanDerWaalsContact N-O 3.15Å; F242-W254 PolarHBondContact O-N 3.41Å; S244-W254 PolarHBondContact OG-NE1 3.11Å; M252-W254 HydrophobicContact CB-CZ2 4.01Å; M252-W254 HydrophobicContact CG-CZ2 4.4Å; M252-W254 HydrophobicContact SD-CH2 4.11Å; M252-W254 HydrophobicContact SD-CZ2 3.5Å; M252-W254 VanDerWaalsContact SD-CZ2 3.5Å; W254-T261 WeakPolarHBondContact CZ3-O 3.34Å; W254-P264 HydrophobicContact CD2-CB 3.91Å; W254-P264 HydrophobicContact CE3-CB 3.88Å; W254-P264 HydrophobicContact CH2-CB 4.06Å; W254-P264 HydrophobicContact CH2-CG 4.46Å; W254-P264 HydrophobicContact CZ2-CB 4.09Å; W254-P264 HydrophobicContact CZ3-CB 3.95Å
255D98Very high97.4Very high29 Ų2951.5 Ų51.516%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-119.8115.2169.9-171.4-24.4000108.8L241 R257 S258L241-D255 HydrophobicContact CD2-CB 3.66Å; D255-R257 PolarHBondContact O-N 3.1Å; D255-R257 VanDerWaalsContact O-N 3.14Å; D255-R257 WeakPolarHBondContact OD1-CB 3.41Å; D255-R257 WeakPolarHBondContact OD1-CG 3.33Å; D255-R257 IonicContact OD1-CZ 3.48Å; D255-R257 PolarHBondContact OD1-N 3.18Å; D255-R257 IonicContact OD1-NE 3.81Å; D255-R257 PolarHBondContact OD1-NE 3.36Å; D255-R257 IonicContact OD1-NH2 2.76Å; D255-R257 IonicContact OD2-CZ 3.78Å; D255-R257 IonicContact OD2-NE 3.72Å; D255-R257 PolarHBondContact OD2-NE 3.14Å; D255-R257 VanDerWaalsContact OD2-NE 3.16Å; D255-R257 IonicContact OD2-NH2 2.69Å; D255-R257 PolarHBondContact OD2-NH2 3.06Å; D255-S258 WeakPolarHBondContact O-CB 2.96Å; D255-S258 PolarHBondContact O-N 2.99Å
256T97.7Very high97.4Very high47 Ų4755.8 Ų55.829%0.28829%0.292SS..THydrogen-bonded Turntrans-66-12.3-179.454.70000113.8L203 F222 W234 S240 F242 S258L203-T256 HydrophobicContact CD2-CG2 4.01Å; F222-T256 HydrophobicContact CZ-CG2 4.25Å; W234-T256 HydrophobicContact CH2-CG2 3.83Å; W234-T256 HydrophobicContact CZ3-CG2 4.04Å; S240-T256 VanDerWaalsContact CA-OG1 3.27Å; S240-T256 WeakPolarHBondContact CA-OG1 3.28Å; S240-T256 WeakPolarHBondContact CB-OG1 3.48Å; S240-T256 PolarHBondContact O-N 2.87Å; S240-T256 PolarHBondContact O-OG1 3.08Å; F242-T256 HydrophobicContact CD1-CG2 3.98Å; F242-T256 HydrophobicContact CE1-CG2 3.8Å; T256-S258 VanDerWaalsContact C-N 3.27Å
257R96.9Very high97.3Very high172 Ų17261 Ų6165%0.64932%0.319SS*.THydrogen-bonded Turntrans-79.8-11.7172-55.3170.6-63.4-178.70.8112.2S240 D255S240-R257 PolarHBondContact OG-NE 3.05Å; D255-R257 PolarHBondContact O-N 3.1Å; D255-R257 VanDerWaalsContact O-N 3.14Å; D255-R257 WeakPolarHBondContact OD1-CB 3.41Å; D255-R257 WeakPolarHBondContact OD1-CG 3.33Å; D255-R257 IonicContact OD1-CZ 3.48Å; D255-R257 PolarHBondContact OD1-N 3.18Å; D255-R257 IonicContact OD1-NE 3.81Å; D255-R257 PolarHBondContact OD1-NE 3.36Å; D255-R257 IonicContact OD1-NH2 2.76Å; D255-R257 IonicContact OD2-CZ 3.78Å; D255-R257 IonicContact OD2-NE 3.72Å; D255-R257 PolarHBondContact OD2-NE 3.14Å; D255-R257 VanDerWaalsContact OD2-NE 3.16Å; D255-R257 IonicContact OD2-NH2 2.69Å; D255-R257 PolarHBondContact OD2-NH2 3.06Å
258S95.1Very high97.2Very high51 Ų5159.2 Ų59.236%0.35731%0.31SS..SBendtrans-65.7142.7174.1-177.30000111D255 T256 T260D255-S258 WeakPolarHBondContact O-CB 2.96Å; D255-S258 PolarHBondContact O-N 2.99Å; T256-S258 VanDerWaalsContact C-N 3.27Å; S258-T260 PolarHBondContact O-N 2.88Å; S258-T260 WeakPolarHBondContact OG-CG2 3.26Å; S258-T260 PolarHBondContact OG-N 2.87Å; S258-T260 PolarHBondContact OG-O 3.46Å
259N91.4Very high97.2Very high177 Ų17764.6 Ų64.695%0.94734%0.339SS*.SBendtrans-792.5176.1-66.7-37.6000113.4
260T95Very high97.2Very high52 Ų5261.1 Ų61.132%0.31932%0.323SS..  trans-129.4138.8179.1178.60000111.1S258 S262 K263S258-T260 PolarHBondContact O-N 2.88Å; S258-T260 WeakPolarHBondContact OG-CG2 3.26Å; S258-T260 PolarHBondContact OG-N 2.87Å; S258-T260 PolarHBondContact OG-O 3.46Å; T260-S262 PolarHBondContact OG1-N 3.38Å; T260-S262 PolarHBondContact OG1-OG 2.96Å; T260-S262 VanDerWaalsContact OG1-OG 3.11Å; T260-K263 HydrophobicContact CG2-CB 3.97Å
261T96.7Very high97.2Very high52 Ų5259.7 Ų59.732%0.31932%0.317SS..SBendtrans-104.6-2.7174.3650000112.5A220 I221 F222 T223 W254A220-T261 HydrophobicContact CB-CG2 4.14Å; I221-T261 WeakPolarHBondContact O-CB 3.47Å; I221-T261 PolarHBondContact O-OG1 2.97Å; F222-T261 CarbonylContact C-O 3.44Å; F222-T261 WeakPolarHBondContact CA-O 3.1Å; F222-T261 HydrophobicContact CD1-CG2 4.05Å; F222-T261 HydrophobicContact CE1-CG2 3.96Å; F222-T261 HydrophobicContact CZ-CG2 4.49Å; T223-T261 PolarHBondContact N-O 3.3Å; W254-T261 WeakPolarHBondContact CZ3-O 3.34Å
262S96.8Very high97.2Very high73 Ų7365.2 Ų65.251%0.5135%0.351SS..SBendtrans-97.8-8.1179.661.30000113.8T260T260-S262 PolarHBondContact OG1-N 3.38Å; T260-S262 PolarHBondContact OG1-OG 2.96Å; T260-S262 VanDerWaalsContact OG1-OG 3.11Å
263K96.6Very high97.2Very high150 Ų15066 Ų6665%0.65236%0.357SS*.SBendtrans-128.9115.6-179.5-174.1-179.7177.7-177.20110T260T260-K263 HydrophobicContact CG2-CB 3.97Å
264P97.7Very high97.2Very high21 Ų2169.4 Ų69.414%0.13637%0.373CS..  trans-71.1160.4174.833.8-38.7000111.1M252 I253 W254 H266 L267M252-P264 HydrophobicContact CB-CB 3.95Å; M252-P264 HydrophobicContact CB-CG 4.31Å; M252-P264 HydrophobicContact CG-CB 4.33Å; M252-P264 HydrophobicContact CG-CG 4.13Å; M252-P264 HydrophobicContact SD-CB 4.22Å; M252-P264 HydrophobicContact SD-CG 3.77Å; I253-P264 WeakPolarHBondContact O-CB 3.18Å; W254-P264 HydrophobicContact CD2-CB 3.91Å; W254-P264 HydrophobicContact CE3-CB 3.88Å; W254-P264 HydrophobicContact CH2-CB 4.06Å; W254-P264 HydrophobicContact CH2-CG 4.46Å; W254-P264 HydrophobicContact CZ2-CB 4.09Å; W254-P264 HydrophobicContact CZ3-CB 3.95Å; P264-H266 WeakPolarHBondContact CB-O 3.35Å; P264-L267 HydrophobicContact CG-CB 4.21Å; P264-L267 HydrophobicContact CG-CD1 4.39Å
265S97Very high97.2Very high60 Ų6069.2 Ų69.242%0.4237%0.372SS..SBendtrans-67.6-39.8172.8-60.20000111I253I253-S265 WeakPolarHBondContact O-CA 3.47Å; I253-S265 WeakPolarHBondContact O-CB 3.28Å; I253-S265 PolarHBondContact O-N 3.33Å
266H97.5Very high97.2Very high90 Ų9068.7 Ų68.742%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-131.9144.4172.9-60.3-88.1000110.9M252 I253 P264 L305M252-H266 WeakPolarHBondContact CA-O 3.16Å; I253-H266 HydrophobicContact CB-CB 4.01Å; I253-H266 HydrophobicContact CG1-CB 4.14Å; I253-H266 PolarHBondContact N-O 3.18Å; I253-H266 PolarHBondContact O-N 2.99Å; I253-H266 VanDerWaalsContact O-N 3.16Å; P264-H266 WeakPolarHBondContact CB-O 3.35Å; H266-L305 HydrophobicContact CB-CD1 3.58Å
267L97.5Very high97.3Very high108 Ų10866.5 Ų66.557%0.56536%0.356SS*.EExtended strand (participates in β ladder)trans-133.1122177.9-18069000107.4K250 M252 P264K250-L267 HydrophobicContact CB-CD1 4.38Å; K250-L267 HydrophobicContact CD-CD1 3.55Å; K250-L267 HydrophobicContact CD-CG 4.31Å; K250-L267 HydrophobicContact CG-CD1 4.44Å; M252-L267 HydrophobicContact CE-CD1 3.28Å; M252-L267 HydrophobicContact CG-CD1 3.67Å; M252-L267 HydrophobicContact SD-CD1 3.9Å; P264-L267 HydrophobicContact CG-CB 4.21Å; P264-L267 HydrophobicContact CG-CD1 4.39Å
268V97.6Very high97.3Very high13 Ų1358.5 Ų58.58%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-133.9130-170.8-172.20000108.9K250 L251 A270 W300 L305K250-V268 CarbonylContact C-O 3.57Å; K250-V268 WeakPolarHBondContact CA-O 3.37Å; K250-V268 WeakPolarHBondContact CB-O 3.46Å; L251-V268 HydrophobicContact CB-CB 4.25Å; L251-V268 PolarHBondContact N-O 3.42Å; L251-V268 PolarHBondContact O-N 3.19Å; V268-A270 PolarHBondContact O-N 3.21Å; V268-A270 VanDerWaalsContact O-N 3.15Å; V268-W300 HydrophobicContact CG1-CE3 4.48Å; V268-W300 HydrophobicContact CG1-CH2 3.82Å; V268-W300 HydrophobicContact CG1-CZ3 3.72Å; V268-L305 WeakPolarHBondContact CG1-O 3.28Å; V268-L305 HydrophobicContact CG2-CB 3.6Å; V268-L305 HydrophobicContact CG2-CD1 3.98Å; V268-L305 HydrophobicContact CG2-CG 4.29Å
269D98Very high97.5Very high135 Ų13556.8 Ų56.872%0.72231%0.314SS*.EExtended strand (participates in β ladder)trans-73.497.9163.4-58.5-53.7000107.1
270A97.9Very high97.9Very high2 Ų248.5 Ų48.52%0.01727%0.27CS..  trans-86.9-41.6-16400000112.3Q249 L251 V268 V275 W300 K308Q249-A270 PolarHBondContact O-N 3.41Å; L251-A270 HydrophobicContact CB-CB 3.72Å; V268-A270 PolarHBondContact O-N 3.21Å; V268-A270 VanDerWaalsContact O-N 3.15Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.73Å; A270-W300 WeakPolarHBondContact O-CZ2 3.45Å; A270-K308 WeakPolarHBondContact O-CE 3.32Å; A270-K308 PolarHBondContact O-NZ 3.32Å
271H98.6Very high98Very high11 Ų1146.2 Ų46.25%0.05126%0.256CS..  trans-137.6174.9-175.4-76.1-96.3000111Q249 V275 T290 S292 D294 T296 A298Q249-H271 PolarHBondContact O-N 2.8Å; H271-V275 HydrophobicContact CB-CG2 3.74Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; H271-S292 WeakPolarHBondContact CB-OG 3.46Å; H271-S292 WeakPolarHBondContact ND1-CB 3.47Å; H271-D294 WeakPolarHBondContact CB-OD2 3.29Å; H271-D294 IonicContact CE1-OD1 3.41Å; H271-D294 IonicContact CG-OD1 3.63Å; H271-D294 IonicContact CG-OD2 3.01Å; H271-D294 VanDerWaalsContact ND1-CG 3.27Å; H271-D294 IonicContact ND1-OD1 3.58Å; H271-D294 PolarHBondContact ND1-OD1 3.24Å; H271-D294 IonicContact ND1-OD2 3.96Å; H271-D294 PolarHBondContact ND1-OD2 2.7Å; H271-T296 PolarHBondContact CE1-O 2.98Å; H271-T296 PolarHBondContact CE1-OG1 2.87Å; H271-T296 PolarHBondContact ND1-OG1 3.29Å; H271-A298 WeakPolarHBondContact NE2-CB 3.43Å
272T98.4Very high98.1Very high116 Ų11645.5 Ų45.571%0.71225%0.252SS*.SBendtrans-94.8-3.2178.558.30000113.7Q249 D294Q249-T272 PolarHBondContact NE2-O 2.96Å; T272-D294 PolarHBondContact N-OD2 3.06Å; T272-D294 VanDerWaalsContact N-OD2 3.1Å; T272-D294 WeakPolarHBondContact OG1-CB 3.4Å; T272-D294 PolarHBondContact OG1-OD2 3.21Å
273A98.7Very high98.1Very high17 Ų1746.6 Ų46.614%0.1425%0.246CC..SBendtrans-141.9-175.2174.500000109.2Q249 S292 A293 D294Q249-A273 WeakPolarHBondContact CG-O 3.14Å; A273-S292 PolarHBondContact O-OG 3.03Å; A273-A293 HydrophobicContact CB-CB 3.96Å; A273-D294 HydrophobicContact CB-CB 3.9Å
274E98.7Very high98.2Very high77 Ų7741.2 Ų41.236%0.3623%0.226SC..  trans-51.2136.8-179.1-62.775.2-166.700111.1D247 S292 A293D247-E274 HydrophobicContact CB-CG 3.99Å; D247-E274 WeakPolarHBondContact OD1-CG 3.17Å; E274-S292 CarbonylContact O-C 3.48Å; E274-S292 VanDerWaalsContact O-CA 3.24Å; E274-S292 WeakPolarHBondContact O-CA 3.43Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.23Å; E274-S292 PolarHBondContact O-OG 3.15Å; E274-A293 HydrophobicContact CB-CB 4.09Å; E274-A293 PolarHBondContact O-N 3.07Å
275V98.9Very high98.2Very high0 Ų044.3 Ų44.30%024%0.239CC..EExtended strand (participates in β ladder)trans-104.6105.9179.2-1720000108.4V245 A246 A270 H271 T290V245-V275 CarbonylContact C-O 3.59Å; V245-V275 HydrophobicContact CB-CB 3.81Å; V245-V275 HydrophobicContact CB-CG1 3.49Å; V245-V275 VanDerWaalsContact CB-CG1 3.49Å; V245-V275 WeakPolarHBondContact CB-O 3.42Å; V245-V275 HydrophobicContact CG1-CB 4.26Å; V245-V275 HydrophobicContact CG1-CG1 3.51Å; V245-V275 HydrophobicContact CG2-CG1 4.03Å; V245-V275 WeakPolarHBondContact CG2-O 3.47Å; A246-V275 PolarHBondContact N-O 3.4Å; A246-V275 PolarHBondContact O-N 3.27Å; A270-V275 HydrophobicContact CB-CG2 4.24Å; H271-V275 HydrophobicContact CB-CG2 3.74Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å
276N98.8Very high98.2Very high19 Ų1944.2 Ų44.210%0.10223%0.231CC..EExtended strand (participates in β ladder)trans-88.2-23.7-165.7-61.8-24.6000113.4D231 G291 A293 I319D231-N276 WeakPolarHBondContact CB-O 3.41Å; N276-G291 PolarHBondContact N-O 3.43Å; N276-A293 PolarHBondContact ND2-N 2.82Å; N276-I319 VanDerWaalsContact CB-O 3.23Å; N276-I319 WeakPolarHBondContact CB-O 3.36Å; N276-I319 PolarHBondContact ND2-O 3.33Å
277C98.8Very high98.3Very high0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-155.4156.6-17458.70000113D231 T290 G291 F320 Q321 V322D231-C277 WeakPolarHBondContact OD2-CA 3.43Å; C277-T290 WeakPolarHBondContact O-CA 3.39Å; C277-G291 PolarHBondContact N-O 3.39Å; C277-G291 PolarHBondContact O-N 2.88Å; C277-G291 VanDerWaalsContact SG-CA 3.55Å; C277-F320 WeakPolarHBondContact CB-O 3.24Å; C277-Q321 VanDerWaalsContact SG-CA 3.58Å; C277-V322 HydrophobicContact CB-CG1 4.26Å; C277-V322 PolarHBondContact SG-N 3.12Å
278L98.8Very high98.3Very high4 Ų436.1 Ų36.12%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-145.6155.3171.782.2173.4000112.8D231 A233 V245 L251 F280 A289 T290D231-L278 HydrophobicContact CB-CD2 3.94Å; D231-L278 WeakPolarHBondContact OD2-CD2 3.35Å; D231-L278 PolarHBondContact OD2-N 3Å; A233-L278 HydrophobicContact CB-CD1 4.3Å; A233-L278 HydrophobicContact CB-CD2 3.76Å; A233-L278 HydrophobicContact CB-CG 3.79Å; V245-L278 HydrophobicContact CG1-CB 3.99Å; V245-L278 HydrophobicContact CG1-CD1 4.14Å; V245-L278 HydrophobicContact CG1-CG 4.46Å; V245-L278 HydrophobicContact CG2-CB 4.39Å; V245-L278 HydrophobicContact CG2-CD2 4.04Å; L251-L278 HydrophobicContact CD1-CD1 4.04Å; L278-F280 HydrophobicContact CD1-CE2 4.38Å; L278-A289 CarbonylContact C-O 3.45Å; L278-A289 VanDerWaalsContact CA-O 3.28Å; L278-A289 WeakPolarHBondContact CA-O 3.21Å; L278-T290 HydrophobicContact CB-CG2 3.95Å
279S98.8Very high98.4Very high16 Ų1635.5 Ų35.511%0.11219%0.188CC..EExtended strand (participates in β ladder)trans-149129.2175.6-157.10000112.2L288 A289 V322 W324S279-L288 CarbonylContact O-C 3.54Å; S279-L288 VanDerWaalsContact O-CA 3.28Å; S279-L288 WeakPolarHBondContact O-CA 3.33Å; S279-L288 WeakPolarHBondContact O-CB 3.17Å; S279-A289 PolarHBondContact N-O 3.36Å; S279-A289 PolarHBondContact O-N 2.92Å; S279-V322 VanDerWaalsContact CB-O 3.32Å; S279-V322 WeakPolarHBondContact CB-O 3.42Å; S279-W324 PolarHBondContact O-NE1 2.77Å
280F98.7Very high98.4Very high3 Ų329.1 Ų29.11%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-81.1139.6171.7-71.3-83.5000110.4A233 W234 H235 L236 I253 L278 L288 L302A233-F280 HydrophobicContact CB-CD2 3.96Å; A233-F280 HydrophobicContact CB-CE2 4.12Å; A233-F280 VanDerWaalsContact O-CE2 3.26Å; A233-F280 WeakPolarHBondContact O-CE2 3.28Å; W234-F280 WeakPolarHBondContact O-CD2 3.41Å; H235-F280 HydrophobicContact CB-CD1 4.48Å; H235-F280 HydrophobicContact CB-CG 4.48Å; H235-F280 AromaticContact CD2-CD1 3.32Å; H235-F280 WeakPolarHBondContact CD2-CD1 3.4Å; H235-F280 AromaticContact CD2-CE1 3.59Å; H235-F280 AromaticContact CD2-CG 3.98Å; L236-F280 WeakPolarHBondContact CD1-O 3.4Å; L236-F280 HydrophobicContact CG-CB 4.45Å; I253-F280 HydrophobicContact CD1-CE1 4.49Å; I253-F280 HydrophobicContact CD1-CZ 4.1Å; L278-F280 HydrophobicContact CD1-CE2 4.38Å; F280-L288 HydrophobicContact CD1-CB 3.76Å; F280-L288 HydrophobicContact CD1-CD1 4.33Å; F280-L288 HydrophobicContact CE1-CB 4.06Å; F280-L288 HydrophobicContact CE1-CD1 3.77Å; F280-L288 HydrophobicContact CE1-CD2 4.5Å; F280-L288 HydrophobicContact CE1-CG 4.35Å; F280-L288 HydrophobicContact CG-CB 4.31Å; F280-L288 HydrophobicContact CZ-CD1 4Å; F280-L302 HydrophobicContact CE1-CD1 4.07Å; F280-L302 HydrophobicContact CE1-CD2 4.34Å
281N98.5Very high98.5Very high4 Ų429 Ų292%0.02115%0.153CC..  trans-66.9132.2175.6-177-79.7000109.8Y283 S284 I287 W324 E329N281-Y283 VanDerWaalsContact C-N 3.28Å; N281-Y283 PolarHBondContact O-N 2.67Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.41Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.3Å; N281-Y283 PolarHBondContact OD1-N 2.84Å; N281-S284 PolarHBondContact OD1-N 3.15Å; N281-I287 HydrophobicContact CB-CB 3.89Å; N281-I287 HydrophobicContact CB-CG2 4.05Å; N281-I287 VanDerWaalsContact CB-O 3.3Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.3Å; N281-W324 HydrophobicContact CB-CD2 3.98Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.38Å; N281-W324 HydrophobicContact CB-CH2 4.49Å; N281-W324 HydrophobicContact CB-CZ2 4.1Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.46Å; N281-E329 PolarHBondContact ND2-O 3.24Å
282P97.7Very high98.5Very high37 Ų3728.5 Ų28.524%0.2415%0.15CC..SBendtrans-73.1-16.7-177.920.4-25000114.4L236 W324L236-P282 HydrophobicContact CD1-CB 3.74Å; L236-P282 HydrophobicContact CD1-CG 4.47Å; P282-W324 VanDerWaalsContact CD-CB 3.47Å; P282-W324 HydrophobicContact CG-CB 4.2Å
283Y97.8Very high98.5Very high96 Ų9623.6 Ų23.638%0.37612%0.121SC..SBendtrans-104.6-27.1-174.7-57.7-88.2000113.1N281 P326 H327 N328 E329N281-Y283 VanDerWaalsContact C-N 3.28Å; N281-Y283 PolarHBondContact O-N 2.67Å; N281-Y283 WeakPolarHBondContact OD1-CA 3.41Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.3Å; N281-Y283 PolarHBondContact OD1-N 2.84Å; Y283-P326 PolarHBondContact OH-O 3.33Å; Y283-H327 WeakPolarHBondContact OH-CA 3.5Å; Y283-H327 PolarHBondContact OH-N 3.29Å; Y283-H327 PolarHBondContact OH-O 3.42Å; Y283-N328 PolarHBondContact OH-N 2.74Å; Y283-E329 HydrophobicContact CD1-CB 4.27Å; Y283-E329 HydrophobicContact CD2-CB 3.58Å; Y283-E329 HydrophobicContact CE2-CB 4.14Å; Y283-E329 HydrophobicContact CG-CB 3.62Å
284S97.9Very high98.5Very high36 Ų3624.2 Ų24.225%0.25212%0.122SC..  trans-113.7131.3-176.5-179.80000112N281 F286 I287N281-S284 PolarHBondContact OD1-N 3.15Å; S284-F286 PolarHBondContact O-N 3.33Å; S284-F286 PolarHBondContact OG-N 3.2Å; S284-I287 WeakPolarHBondContact OG-CG1 3.2Å
285E97.4Very high98.5Very high87 Ų8724.8 Ų24.841%0.40712%0.124SC..SBendtrans-74.3-3176.868.3-178.8167.300114.3H235 L237 H238H235-E285 PolarHBondContact NE2-O 3.19Å; L237-E285 HydrophobicContact CD1-CB 4.21Å; H238-E285 IonicContact CE1-OE2 3.8Å; H238-E285 IonicContact NE2-OE2 3.57Å
286F98Very high98.5Very high58 Ų5825.6 Ų25.625%0.25413%0.129SC..SBendtrans-120.6-17.8-173.5-57.4-58.6000114.2S284 D301 L302 R303S284-F286 PolarHBondContact O-N 3.33Å; S284-F286 PolarHBondContact OG-N 3.2Å; F286-D301 CarbonylContact O-C 3Å; F286-D301 WeakPolarHBondContact O-CA 3.2Å; F286-L302 PolarHBondContact O-N 2.83Å; F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.33Å; F286-R303 HydrophobicContact CD2-CG 4.46Å; F286-R303 HydrophobicContact CE1-CG 3.58Å; F286-R303 HydrophobicContact CG-CG 3.81Å; F286-R303 HydrophobicContact CZ-CG 4.25Å
287I98.4Very high98.5Very high28 Ų2824.7 Ų24.714%0.14412%0.124CC..EExtended strand (participates in β ladder)trans-99.4134.5-169.2-59.5-61.7000110.4N281 S284 L299 W300 L309 W324N281-I287 HydrophobicContact CB-CB 3.89Å; N281-I287 HydrophobicContact CB-CG2 4.05Å; N281-I287 VanDerWaalsContact CB-O 3.3Å; N281-I287 WeakPolarHBondContact CB-O 3.44Å; N281-I287 PolarHBondContact N-O 3.3Å; S284-I287 WeakPolarHBondContact OG-CG1 3.2Å; I287-L299 HydrophobicContact CG2-CD1 3.61Å; I287-L299 HydrophobicContact CG2-CG 4.49Å; I287-W300 WeakPolarHBondContact CA-O 3.32Å; I287-L309 HydrophobicContact CD1-CD1 3.58Å; I287-W324 HydrophobicContact CG2-CH2 3.76Å; I287-W324 HydrophobicContact CG2-CZ2 3.64Å
288L98.7Very high98.5Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-144.9160.5169.671.8162.4000110.6L251 I253 S279 F280 W300 L302 L305L251-L288 HydrophobicContact CD1-CD1 4.1Å; L251-L288 HydrophobicContact CD2-CD1 3.97Å; I253-L288 HydrophobicContact CD1-CD1 4.14Å; S279-L288 CarbonylContact O-C 3.54Å; S279-L288 VanDerWaalsContact O-CA 3.28Å; S279-L288 WeakPolarHBondContact O-CA 3.33Å; S279-L288 WeakPolarHBondContact O-CB 3.17Å; F280-L288 HydrophobicContact CD1-CB 3.76Å; F280-L288 HydrophobicContact CD1-CD1 4.33Å; F280-L288 HydrophobicContact CE1-CB 4.06Å; F280-L288 HydrophobicContact CE1-CD1 3.77Å; F280-L288 HydrophobicContact CE1-CD2 4.5Å; F280-L288 HydrophobicContact CE1-CG 4.35Å; F280-L288 HydrophobicContact CG-CB 4.31Å; F280-L288 HydrophobicContact CZ-CD1 4Å; L288-W300 HydrophobicContact CD2-CB 3.54Å; L288-W300 HydrophobicContact CG-CB 3.94Å; L288-W300 PolarHBondContact N-O 3.03Å; L288-W300 PolarHBondContact O-N 3.1Å; L288-L302 HydrophobicContact CD2-CD2 3.63Å; L288-L302 HydrophobicContact CD2-CG 3.79Å; L288-L305 HydrophobicContact CD2-CD2 4.44Å
289A98.8Very high98.5Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-122.4150.4175.200000110.7L278 S279 V297 A298 V322 W324 L332L278-A289 CarbonylContact C-O 3.45Å; L278-A289 VanDerWaalsContact CA-O 3.28Å; L278-A289 WeakPolarHBondContact CA-O 3.21Å; S279-A289 PolarHBondContact N-O 3.36Å; S279-A289 PolarHBondContact O-N 2.92Å; A289-V297 HydrophobicContact CB-CG1 4.05Å; A289-A298 CarbonylContact C-O 3.53Å; A289-A298 VanDerWaalsContact CA-O 3.22Å; A289-A298 WeakPolarHBondContact CA-O 3.07Å; A289-V322 HydrophobicContact CB-CG2 3.99Å; A289-W324 HydrophobicContact CB-CZ2 4.1Å; A289-L332 HydrophobicContact CB-CD1 3.89Å
290T98.9Very high98.5Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-129.8142172.154.50000109.9V245 L251 H271 V275 C277 L278 V297 A298 W300V245-T290 HydrophobicContact CG1-CG2 4.07Å; L251-T290 HydrophobicContact CD1-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 4.27Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å; C277-T290 WeakPolarHBondContact O-CA 3.39Å; L278-T290 HydrophobicContact CB-CG2 3.95Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.22Å; T290-V297 WeakPolarHBondContact O-CA 3.37Å; T290-V297 WeakPolarHBondContact O-CG1 3.05Å; T290-A298 PolarHBondContact N-O 3.44Å; T290-A298 PolarHBondContact O-N 2.86Å; T290-W300 PolarHBondContact OG1-NE1 3.44Å
291G98.8Very high98.5Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-116.3146173.400000111.2N276 C277N276-G291 PolarHBondContact N-O 3.43Å; C277-G291 PolarHBondContact N-O 3.39Å; C277-G291 PolarHBondContact O-N 2.88Å; C277-G291 VanDerWaalsContact SG-CA 3.55Å
292S98.8Very high98.4Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-139.4160.7-168.7174.20000113.7H271 A273 E274 D294 K295 T296 I319H271-S292 WeakPolarHBondContact CB-OG 3.46Å; H271-S292 WeakPolarHBondContact ND1-CB 3.47Å; A273-S292 PolarHBondContact O-OG 3.03Å; E274-S292 CarbonylContact O-C 3.48Å; E274-S292 VanDerWaalsContact O-CA 3.24Å; E274-S292 WeakPolarHBondContact O-CA 3.43Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.23Å; E274-S292 PolarHBondContact O-OG 3.15Å; S292-D294 WeakPolarHBondContact CB-OD1 3.27Å; S292-D294 PolarHBondContact O-N 2.94Å; S292-D294 PolarHBondContact OG-N 3.35Å; S292-D294 PolarHBondContact OG-OD1 2.99Å; S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.11Å; S292-T296 PolarHBondContact N-O 3.15Å; S292-I319 PolarHBondContact O-N 3.37Å; S292-I319 VanDerWaalsContact O-N 3.11Å
293A98.8Very high98.4Very high13 Ų1332.1 Ų32.111%0.10715%0.148CC..THydrogen-bonded Turntrans-61.4-14.3164.300000113.4A273 E274 N276 K295 E318A273-A293 HydrophobicContact CB-CB 3.96Å; E274-A293 HydrophobicContact CB-CB 4.09Å; E274-A293 PolarHBondContact O-N 3.07Å; N276-A293 PolarHBondContact ND2-N 2.82Å; A293-K295 PolarHBondContact O-N 3.29Å; A293-K295 VanDerWaalsContact O-N 3.16Å; A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.85Å
294D98.7Very high98.3Very high30 Ų3031.4 Ų31.416%0.1615%0.15CC..THydrogen-bonded Turntrans-74.65.7170.578.96.3000113.6H271 T272 A273 S292 T296H271-D294 WeakPolarHBondContact CB-OD2 3.29Å; H271-D294 IonicContact CE1-OD1 3.41Å; H271-D294 IonicContact CG-OD1 3.63Å; H271-D294 IonicContact CG-OD2 3.01Å; H271-D294 VanDerWaalsContact ND1-CG 3.27Å; H271-D294 IonicContact ND1-OD1 3.58Å; H271-D294 PolarHBondContact ND1-OD1 3.24Å; H271-D294 IonicContact ND1-OD2 3.96Å; H271-D294 PolarHBondContact ND1-OD2 2.7Å; T272-D294 PolarHBondContact N-OD2 3.06Å; T272-D294 VanDerWaalsContact N-OD2 3.1Å; T272-D294 WeakPolarHBondContact OG1-CB 3.4Å; T272-D294 PolarHBondContact OG1-OD2 3.21Å; A273-D294 HydrophobicContact CB-CB 3.9Å; S292-D294 WeakPolarHBondContact CB-OD1 3.27Å; S292-D294 PolarHBondContact O-N 2.94Å; S292-D294 PolarHBondContact OG-N 3.35Å; S292-D294 PolarHBondContact OG-OD1 2.99Å; D294-T296 PolarHBondContact O-N 2.7Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 2.79Å; D294-T296 VanDerWaalsContact OD1-N 3.13Å; D294-T296 PolarHBondContact OD1-OG1 2.69Å
295K98.7Very high98.3Very high89 Ų8930.3 Ų30.339%0.38714%0.142SC..SBendtrans72.911.5173.5-42.1176.1175-156.20113.7S292 A293 K316S292-K295 PolarHBondContact O-N 3.27Å; S292-K295 VanDerWaalsContact O-N 3.11Å; A293-K295 PolarHBondContact O-N 3.29Å; A293-K295 VanDerWaalsContact O-N 3.16Å; K295-K316 WeakPolarHBondContact CD-O 3.42Å; K295-K316 PolarHBondContact NZ-O 3.42Å
296T98.7Very high98.2Very high18 Ų1834.9 Ų34.911%0.1116%0.16CC..EExtended strand (participates in β ladder)trans-117.3148-178.674.20000112.2H271 S292 D294 T311 E313 I319H271-T296 PolarHBondContact CE1-O 2.98Å; H271-T296 PolarHBondContact CE1-OG1 2.87Å; H271-T296 PolarHBondContact ND1-OG1 3.29Å; S292-T296 PolarHBondContact N-O 3.15Å; D294-T296 PolarHBondContact O-N 2.7Å; D294-T296 WeakPolarHBondContact OD1-CB 3.07Å; D294-T296 PolarHBondContact OD1-N 2.79Å; D294-T296 VanDerWaalsContact OD1-N 3.13Å; D294-T296 PolarHBondContact OD1-OG1 2.69Å; T296-T311 HydrophobicContact CG2-CG2 3.82Å; T296-E313 HydrophobicContact CG2-CG 4.13Å; T296-I319 WeakPolarHBondContact O-CD1 3.41Å
297V98.9Very high98Very high0 Ų038.1 Ų38.10%018%0.18CC..EExtended strand (participates in β ladder)trans-95.9130161.1-175.50000107.5A289 T290 T311 F312 I319 V322 L332A289-V297 HydrophobicContact CB-CG1 4.05Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.22Å; T290-V297 WeakPolarHBondContact O-CA 3.37Å; T290-V297 WeakPolarHBondContact O-CG1 3.05Å; V297-T311 CarbonylContact O-C 3.57Å; V297-T311 WeakPolarHBondContact O-CA 3.47Å; V297-F312 HydrophobicContact CB-CB 4.08Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.38Å; V297-F312 HydrophobicContact CG1-CD2 3.94Å; V297-F312 PolarHBondContact N-O 3.27Å; V297-F312 WeakPolarHBondContact O-CD2 3.16Å; V297-F312 PolarHBondContact O-N 2.88Å; V297-I319 HydrophobicContact CB-CD1 4.46Å; V297-I319 HydrophobicContact CG2-CD1 3.41Å; V297-I319 VanDerWaalsContact CG2-CD1 3.41Å; V297-V322 HydrophobicContact CG1-CG2 3.96Å; V297-L332 HydrophobicContact CG1-CD1 4.04Å
298A98.8Very high98Very high0 Ų039.9 Ų39.90%019%0.186CC..EExtended strand (participates in β ladder)trans-105137.1174.400000110.9H271 A289 T290 W300 K308H271-A298 WeakPolarHBondContact NE2-CB 3.43Å; A289-A298 CarbonylContact C-O 3.53Å; A289-A298 VanDerWaalsContact CA-O 3.22Å; A289-A298 WeakPolarHBondContact CA-O 3.07Å; T290-A298 PolarHBondContact N-O 3.44Å; T290-A298 PolarHBondContact O-N 2.86Å; A298-W300 HydrophobicContact CB-CZ2 3.94Å; A298-K308 HydrophobicContact CB-CD 3.62Å; A298-K308 HydrophobicContact CB-CG 4.04Å
299L98.8Very high98Very high9 Ų944.2 Ų44.25%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-97.4136.7172.5-169.766.7000110.2I287 K308 L309 H310 F312 W324 L346I287-L299 HydrophobicContact CG2-CD1 3.61Å; I287-L299 HydrophobicContact CG2-CG 4.49Å; L299-K308 CarbonylContact O-C 3.06Å; L299-L309 HydrophobicContact CB-CB 4.18Å; L299-L309 HydrophobicContact CD2-CB 4.01Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.06Å; L299-L309 HydrophobicContact CG-CD1 4.13Å; L299-L309 PolarHBondContact O-N 3.39Å; L299-H310 HydrophobicContact CB-CB 4.06Å; L299-H310 HydrophobicContact CD2-CB 4.25Å; L299-H310 PolarHBondContact N-O 2.76Å; L299-F312 HydrophobicContact CB-CE2 3.93Å; L299-W324 HydrophobicContact CD1-CH2 3.82Å; L299-W324 HydrophobicContact CD1-CZ2 3.85Å; L299-L346 HydrophobicContact CD1-CD2 4.01Å; L299-L346 HydrophobicContact CD2-CD2 3.72Å; L299-L346 HydrophobicContact CD2-CG 4.13Å
300W98.7Very high97.9Very high5 Ų546.5 Ų46.52%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-131.3150.9-174.8-58.594.7000112.6L251 V268 A270 I287 L288 T290 A298 L305 K308L251-W300 HydrophobicContact CD2-CD2 4.34Å; L251-W300 HydrophobicContact CD2-CG 4.26Å; V268-W300 HydrophobicContact CG1-CE3 4.48Å; V268-W300 HydrophobicContact CG1-CH2 3.82Å; V268-W300 HydrophobicContact CG1-CZ3 3.72Å; A270-W300 HydrophobicContact CB-CH2 4.26Å; A270-W300 HydrophobicContact CB-CZ2 3.73Å; A270-W300 WeakPolarHBondContact O-CZ2 3.45Å; I287-W300 WeakPolarHBondContact CA-O 3.32Å; L288-W300 HydrophobicContact CD2-CB 3.54Å; L288-W300 HydrophobicContact CG-CB 3.94Å; L288-W300 PolarHBondContact N-O 3.03Å; L288-W300 PolarHBondContact O-N 3.1Å; T290-W300 PolarHBondContact OG1-NE1 3.44Å; A298-W300 HydrophobicContact CB-CZ2 3.94Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.27Å; W300-K308 HydrophobicContact CD2-CG 4.5Å; W300-K308 HydrophobicContact CE3-CG 4.31Å; W300-K308 HydrophobicContact CH2-CD 4.35Å; W300-K308 HydrophobicContact CH2-CG 3.43Å; W300-K308 VanDerWaalsContact CH2-CG 3.43Å; W300-K308 HydrophobicContact CZ2-CD 4.26Å; W300-K308 HydrophobicContact CZ2-CG 3.63Å; W300-K308 HydrophobicContact CZ3-CG 3.8Å
301D98.2Very high97.9Very high15 Ų1548.2 Ų48.28%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-113.2117.9168.6-168.5-34.2000109.5F286 R303 N304 L305 L309F286-D301 CarbonylContact O-C 3Å; F286-D301 WeakPolarHBondContact O-CA 3.2Å; D301-R303 PolarHBondContact O-N 3.41Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CB 3.45Å; D301-R303 VanDerWaalsContact OD1-CG 3.26Å; D301-R303 WeakPolarHBondContact OD1-CG 3.37Å; D301-R303 IonicContact OD1-CZ 3.32Å; D301-R303 PolarHBondContact OD1-N 2.86Å; D301-R303 IonicContact OD1-NE 3.82Å; D301-R303 PolarHBondContact OD1-NE 2.92Å; D301-R303 IonicContact OD1-NH2 3.16Å; D301-R303 IonicContact OD2-CZ 3.44Å; D301-R303 VanDerWaalsContact OD2-CZ 3.26Å; D301-R303 IonicContact OD2-NE 3.62Å; D301-R303 PolarHBondContact OD2-NE 2.95Å; D301-R303 IonicContact OD2-NH2 2.68Å; D301-R303 PolarHBondContact OD2-NH2 2.87Å; D301-N304 CarbonylContact O-C 3.45Å; D301-N304 PolarHBondContact O-N 2.86Å; D301-L305 WeakPolarHBondContact O-CD2 3.45Å; D301-L305 PolarHBondContact O-N 2.91Å; D301-L309 HydrophobicContact CB-CD1 3.83Å; D301-L309 HydrophobicContact CB-CD2 4.02Å; D301-L309 HydrophobicContact CB-CG 3.93Å
302L97.8Very high97.9Very high25 Ų2548.2 Ų48.213%0.13123%0.23CC..THydrogen-bonded Turntrans-57.2-25.4177.3-70.4177.8000113.1I253 F280 F286 L288 N304 L305I253-L302 HydrophobicContact CD1-CD2 3.8Å; I253-L302 HydrophobicContact CG1-CD2 3.85Å; I253-L302 HydrophobicContact CG2-CD2 4.47Å; F280-L302 HydrophobicContact CE1-CD1 4.07Å; F280-L302 HydrophobicContact CE1-CD2 4.34Å; F286-L302 PolarHBondContact O-N 2.83Å; L288-L302 HydrophobicContact CD2-CD2 3.63Å; L288-L302 HydrophobicContact CD2-CG 3.79Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.94Å; L302-L305 HydrophobicContact CD2-CD1 4.23Å; L302-L305 HydrophobicContact CD2-CD2 4.34Å
303R96.9Very high97.8Very high165 Ų16554.4 Ų54.462%0.62326%0.259SS*.THydrogen-bonded Turntrans-71.2-26176.6-55.7171-67.8-169.33111.8F286 D301F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.33Å; F286-R303 HydrophobicContact CD2-CG 4.46Å; F286-R303 HydrophobicContact CE1-CG 3.58Å; F286-R303 HydrophobicContact CG-CG 3.81Å; F286-R303 HydrophobicContact CZ-CG 4.25Å; D301-R303 PolarHBondContact O-N 3.41Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CB 3.45Å; D301-R303 VanDerWaalsContact OD1-CG 3.26Å; D301-R303 WeakPolarHBondContact OD1-CG 3.37Å; D301-R303 IonicContact OD1-CZ 3.32Å; D301-R303 PolarHBondContact OD1-N 2.86Å; D301-R303 IonicContact OD1-NE 3.82Å; D301-R303 PolarHBondContact OD1-NE 2.92Å; D301-R303 IonicContact OD1-NH2 3.16Å; D301-R303 IonicContact OD2-CZ 3.44Å; D301-R303 VanDerWaalsContact OD2-CZ 3.26Å; D301-R303 IonicContact OD2-NE 3.62Å; D301-R303 PolarHBondContact OD2-NE 2.95Å; D301-R303 IonicContact OD2-NH2 2.68Å; D301-R303 PolarHBondContact OD2-NH2 2.87Å
304N96.6Very high97.8Very high81 Ų8154.7 Ų54.743%0.43326%0.26SS..  trans-149.683.6177.5-177.426.1000112.5D301 L302 K306D301-N304 CarbonylContact O-C 3.45Å; D301-N304 PolarHBondContact O-N 2.86Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.94Å; N304-K306 PolarHBondContact O-N 3.41Å; N304-K306 WeakPolarHBondContact OD1-CB 3.28Å; N304-K306 WeakPolarHBondContact OD1-CG 3.34Å; N304-K306 PolarHBondContact OD1-N 3.44Å
305L97.1Very high97.7Very high14 Ų1453.8 Ų53.87%0.07326%0.255CS..THydrogen-bonded Turntrans-79.211177.7-65.6170.9000114.8L251 I253 H266 V268 L288 W300 D301 L302 L307L251-L305 HydrophobicContact CD2-CD2 4.38Å; I253-L305 HydrophobicContact CG1-CD1 3.84Å; H266-L305 HydrophobicContact CB-CD1 3.58Å; V268-L305 WeakPolarHBondContact CG1-O 3.28Å; V268-L305 HydrophobicContact CG2-CB 3.6Å; V268-L305 HydrophobicContact CG2-CD1 3.98Å; V268-L305 HydrophobicContact CG2-CG 4.29Å; L288-L305 HydrophobicContact CD2-CD2 4.44Å; W300-L305 HydrophobicContact CB-CD2 3.96Å; W300-L305 HydrophobicContact CE3-CD2 4.27Å; D301-L305 WeakPolarHBondContact O-CD2 3.45Å; D301-L305 PolarHBondContact O-N 2.91Å; L302-L305 HydrophobicContact CD2-CD1 4.23Å; L302-L305 HydrophobicContact CD2-CD2 4.34Å; L305-L307 VanDerWaalsContact C-N 3.3Å
306K94.4Very high97.7Very high183 Ų18356.9 Ų56.980%0.79627%0.268SS*.THydrogen-bonded Turntrans-75.1-23.2-179.9-65.7-179.4179.4176.70113.1N304N304-K306 PolarHBondContact O-N 3.41Å; N304-K306 WeakPolarHBondContact OD1-CB 3.28Å; N304-K306 WeakPolarHBondContact OD1-CG 3.34Å; N304-K306 PolarHBondContact OD1-N 3.44Å
307L95.2Very high97.6Very high126 Ų12658.8 Ų58.866%0.6628%0.278SS*.SBendtrans-139.3145.6-177.8-63.8173000108.3L305L305-L307 VanDerWaalsContact C-N 3.3Å
308K97.9Very high97.6Very high64 Ų6462.5 Ų62.528%0.27830%0.295SS..  trans-61.7139165.2-63179.9177.3-172.60108.6A270 A298 L299 W300 T311A270-K308 WeakPolarHBondContact O-CE 3.32Å; A270-K308 PolarHBondContact O-NZ 3.32Å; A298-K308 HydrophobicContact CB-CD 3.62Å; A298-K308 HydrophobicContact CB-CG 4.04Å; L299-K308 CarbonylContact O-C 3.06Å; W300-K308 HydrophobicContact CD2-CG 4.5Å; W300-K308 HydrophobicContact CE3-CG 4.31Å; W300-K308 HydrophobicContact CH2-CD 4.35Å; W300-K308 HydrophobicContact CH2-CG 3.43Å; W300-K308 VanDerWaalsContact CH2-CG 3.43Å; W300-K308 HydrophobicContact CZ2-CD 4.26Å; W300-K308 HydrophobicContact CZ2-CG 3.63Å; W300-K308 HydrophobicContact CZ3-CG 3.8Å; K308-T311 WeakPolarHBondContact CD-OG1 3.29Å
309L97.6Very high97.6Very high92 Ų9262.5 Ų62.548%0.48230%0.295SS..SBendtrans-68-43.1167.2-74.8-177.6000110.4I287 L299 D301I287-L309 HydrophobicContact CD1-CD1 3.58Å; L299-L309 HydrophobicContact CB-CB 4.18Å; L299-L309 HydrophobicContact CD2-CB 4.01Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.06Å; L299-L309 HydrophobicContact CG-CD1 4.13Å; L299-L309 PolarHBondContact O-N 3.39Å; D301-L309 HydrophobicContact CB-CD1 3.83Å; D301-L309 HydrophobicContact CB-CD2 4.02Å; D301-L309 HydrophobicContact CB-CG 3.93Å
310H98.3Very high97.6Very high47 Ų4764.8 Ų64.822%0.21831%0.305CS..EExtended strand (participates in β ladder)trans-155.5161.1-179.4-165.650.2000110.3L299 F312 I349 E364L299-H310 HydrophobicContact CB-CB 4.06Å; L299-H310 HydrophobicContact CD2-CB 4.25Å; L299-H310 PolarHBondContact N-O 2.76Å; H310-F312 AromaticContact CD2-CD1 3.9Å; H310-F312 AromaticContact CD2-CE1 3.78Å; H310-I349 HydrophobicContact CB-CD1 4.24Å; H310-E364 IonicContact CD2-OE1 3.48Å; H310-E364 IonicContact CE1-OE1 2.8Å; H310-E364 IonicContact NE2-OE1 3.43Å; H310-E364 PolarHBondContact NE2-OE1 3.35Å
311T98.5Very high97.6Very high36 Ų3664.9 Ų64.922%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-128.8119.5171.6-55.70000108T296 V297 K308 E313T296-T311 HydrophobicContact CG2-CG2 3.82Å; V297-T311 CarbonylContact O-C 3.57Å; V297-T311 WeakPolarHBondContact O-CA 3.47Å; K308-T311 WeakPolarHBondContact CD-OG1 3.29Å; T311-E313 HydrophobicContact CG2-CG 3.96Å
312F98.6Very high97.6Very high1 Ų164.1 Ų64.10%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-86.2119.1176.5-54.5-90.2000109.1V297 L299 H310 L332 W344 L346 I349 E364V297-F312 HydrophobicContact CB-CB 4.08Å; V297-F312 HydrophobicContact CB-CD2 3.86Å; V297-F312 HydrophobicContact CB-CG 4.38Å; V297-F312 HydrophobicContact CG1-CD2 3.94Å; V297-F312 PolarHBondContact N-O 3.27Å; V297-F312 WeakPolarHBondContact O-CD2 3.16Å; V297-F312 PolarHBondContact O-N 2.88Å; L299-F312 HydrophobicContact CB-CE2 3.93Å; H310-F312 AromaticContact CD2-CD1 3.9Å; H310-F312 AromaticContact CD2-CE1 3.78Å; F312-L332 HydrophobicContact CE2-CD1 4.31Å; F312-L332 HydrophobicContact CE2-CD2 4.49Å; F312-L332 HydrophobicContact CZ-CD2 4.1Å; F312-W344 HydrophobicContact CB-CD2 4.09Å; F312-W344 HydrophobicContact CB-CE3 3.98Å; F312-W344 HydrophobicContact CB-CH2 3.78Å; F312-W344 HydrophobicContact CB-CZ2 3.98Å; F312-W344 HydrophobicContact CB-CZ3 3.82Å; F312-W344 HydrophobicContact CD1-CB 4.16Å; F312-W344 AromaticContact CD1-CD2 3.92Å; F312-W344 HydrophobicContact CD1-CD2 3.92Å; F312-W344 AromaticContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CG 4.15Å; F312-W344 HydrophobicContact CD1-CZ3 4.27Å; F312-W344 HydrophobicContact CE1-CB 4.15Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.24Å; F312-L346 HydrophobicContact CE1-CD1 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.54Å; F312-L346 HydrophobicContact CZ-CG 4.16Å; F312-I349 HydrophobicContact CE1-CD1 4.07Å; F312-I349 HydrophobicContact CE1-CG1 4.46Å; F312-I349 HydrophobicContact CZ-CD1 4.11Å; F312-E364 HydrophobicContact CD1-CG 3.62Å; F312-E364 HydrophobicContact CE1-CB 4.34Å; F312-E364 HydrophobicContact CE1-CG 3.79Å
313E97.1Very high97.7Very high129 Ų12965.1 Ų65.160%0.60331%0.305SS*.EExtended strand (participates in β ladder)trans-120.9106.2-174.5-62.6-175.7-172.500109.8T296 T311T296-E313 HydrophobicContact CG2-CG 4.13Å; T311-E313 HydrophobicContact CG2-CG 3.96Å
314S97.3Very high97.7Very high19 Ų1957.9 Ų57.913%0.13328%0.278CS..  trans-156.4-40.9172177.50000111.6K316 N342 L365S314-K316 WeakPolarHBondContact O-CD 3.33Å; S314-K316 VanDerWaalsContact O-CE 3.31Å; S314-K316 WeakPolarHBondContact O-CE 3.38Å; S314-K316 PolarHBondContact O-NZ 3.03Å; S314-N342 WeakPolarHBondContact CB-ND2 3.12Å; S314-N342 PolarHBondContact OG-ND2 3.05Å; S314-L365 WeakPolarHBondContact OG-CD2 3.33Å
315H98.3Very high97.8Very high11 Ų1154.1 Ų54.15%0.05126%0.258CS..  trans-49.9139.7175.4-78.7-68000111.8I319 S334 D338H315-I319 HydrophobicContact CB-CD1 4.32Å; H315-I319 HydrophobicContact CB-CG1 4.19Å; H315-S334 PolarHBondContact CD2-OG 2.81Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 2.93Å; H315-D338 WeakPolarHBondContact CA-OD2 3.41Å; H315-D338 WeakPolarHBondContact CB-OD2 3.26Å; H315-D338 IonicContact CE1-OD1 3.94Å; H315-D338 IonicContact CG-OD2 3.31Å; H315-D338 IonicContact ND1-OD1 3.91Å; H315-D338 PolarHBondContact ND1-OD1 3.26Å; H315-D338 IonicContact ND1-OD2 3.31Å; H315-D338 PolarHBondContact ND1-OD2 2.99Å
316K97.6Very high97.8Very high155 Ų15556 Ų5667%0.67427%0.271SS*.SBendtrans-99-7.1-177.3-57.4-51.7-179.1-140.80112.9K295 S314 D338K295-K316 WeakPolarHBondContact CD-O 3.42Å; K295-K316 PolarHBondContact NZ-O 3.42Å; S314-K316 WeakPolarHBondContact O-CD 3.33Å; S314-K316 VanDerWaalsContact O-CE 3.31Å; S314-K316 WeakPolarHBondContact O-CE 3.38Å; S314-K316 PolarHBondContact O-NZ 3.03Å; K316-D338 HydrophobicContact CB-CB 4.28Å; K316-D338 PolarHBondContact N-OD2 3.38Å
317D98.1Very high98Very high58 Ų5850.6 Ų50.631%0.3125%0.248SC..SBendtrans-151.8-176.2-179.4-152.913.8000111.1T337 D338D317-T337 WeakPolarHBondContact CB-OG1 3.11Å; D317-T337 WeakPolarHBondContact OD2-CB 3.4Å; D317-T337 PolarHBondContact OD2-OG1 3.13Å; D317-D338 HydrophobicContact CB-CB 3.84Å
318E98.5Very high98.1Very high78 Ų7846.9 Ų46.936%0.36423%0.229SC..  trans-55.2138.3-172.8-54.6-179.8-16700113.5A293 F320 G336 T337A293-E318 HydrophobicContact CB-CB 4.33Å; A293-E318 HydrophobicContact CB-CG 3.85Å; E318-F320 HydrophobicContact CB-CE1 4.48Å; E318-G336 CarbonylContact O-C 3.52Å; E318-G336 WeakPolarHBondContact O-CA 3.46Å; E318-T337 HydrophobicContact CB-CG2 4.14Å; E318-T337 PolarHBondContact N-OG1 3.15Å; E318-T337 VanDerWaalsContact N-OG1 3.13Å; E318-T337 PolarHBondContact O-N 2.76Å; E318-T337 PolarHBondContact O-OG1 2.89Å
319I98.7Very high98Very high0 Ų049.8 Ų49.80%024%0.244CC..EExtended strand (participates in β ladder)trans-92.2129.8176.6-55.9-175.3000109.1N276 S292 T296 V297 H315N276-I319 VanDerWaalsContact CB-O 3.23Å; N276-I319 WeakPolarHBondContact CB-O 3.36Å; N276-I319 PolarHBondContact ND2-O 3.33Å; S292-I319 PolarHBondContact O-N 3.37Å; S292-I319 VanDerWaalsContact O-N 3.11Å; T296-I319 WeakPolarHBondContact O-CD1 3.41Å; V297-I319 HydrophobicContact CB-CD1 4.46Å; V297-I319 HydrophobicContact CG2-CD1 3.41Å; V297-I319 VanDerWaalsContact CG2-CD1 3.41Å; H315-I319 HydrophobicContact CB-CD1 4.32Å; H315-I319 HydrophobicContact CB-CG1 4.19Å
320F98.3Very high98Very high57 Ų5746.9 Ų46.925%0.2523%0.23CC..EExtended strand (participates in β ladder)trans-102.4-31.6179.9-75-16.1000113.9C277 E318 S335 T337C277-F320 WeakPolarHBondContact CB-O 3.24Å; E318-F320 HydrophobicContact CB-CE1 4.48Å; F320-S335 PolarHBondContact N-O 2.92Å; F320-T337 HydrophobicContact CD1-CG2 4.32Å; F320-T337 HydrophobicContact CD2-CG2 4.19Å; F320-T337 HydrophobicContact CE1-CG2 3.6Å; F320-T337 HydrophobicContact CE2-CG2 3.45Å; F320-T337 VanDerWaalsContact CE2-CG2 3.45Å; F320-T337 HydrophobicContact CZ-CG2 3.12Å
321Q98.4Very high98Very high6 Ų644.6 Ų44.63%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-141.3147.7-178.3-69.5-61.8-54.900111.1C277 H323 S334 S335 F379C277-Q321 VanDerWaalsContact SG-CA 3.58Å; Q321-H323 PolarHBondContact OE1-NE2 2.94Å; Q321-S334 CarbonylContact O-C 3.52Å; Q321-S334 WeakPolarHBondContact O-CA 3.34Å; Q321-S334 WeakPolarHBondContact O-CB 3.26Å; Q321-S335 PolarHBondContact N-O 2.81Å; Q321-S335 PolarHBondContact O-N 2.77Å; Q321-F379 HydrophobicContact CB-CD1 3.85Å; Q321-F379 HydrophobicContact CB-CE1 3.56Å
322V98.8Very high98Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-138.1131.1169.666.40000108.6C277 S279 A289 V297 L332 A333C277-V322 HydrophobicContact CB-CG1 4.26Å; C277-V322 PolarHBondContact SG-N 3.12Å; S279-V322 VanDerWaalsContact CB-O 3.32Å; S279-V322 WeakPolarHBondContact CB-O 3.42Å; A289-V322 HydrophobicContact CB-CG2 3.99Å; V297-V322 HydrophobicContact CG1-CG2 3.96Å; V322-L332 HydrophobicContact CG2-CD1 3.93Å; V322-A333 CarbonylContact C-O 3.58Å; V322-A333 VanDerWaalsContact CA-O 3.31Å; V322-A333 WeakPolarHBondContact CA-O 3.48Å; V322-A333 WeakPolarHBondContact CG2-O 3.42Å
323H98.7Very high98Very high45 Ų4542.9 Ų42.921%0.20821%0.209CC..EExtended strand (participates in β ladder)trans-143.6129.6179.4-75-64.2000111.3Q321 A333 F379 W381Q321-H323 PolarHBondContact OE1-NE2 2.94Å; H323-A333 PolarHBondContact N-O 3.02Å; H323-A333 PolarHBondContact O-N 3.44Å; H323-F379 HydrophobicContact CB-CE2 3.82Å; H323-F379 HydrophobicContact CB-CZ 3.78Å; H323-F379 AromaticContact CD2-CZ 3.87Å; H323-W381 PolarHBondContact O-NE1 2.7Å
324W98.7Very high98.1Very high14 Ų1436.7 Ų36.75%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-66.5145.9168.8-67.894.3000111.4S279 N281 P282 I287 A289 L299 L332 L346 W381S279-W324 PolarHBondContact O-NE1 2.77Å; N281-W324 HydrophobicContact CB-CD2 3.98Å; N281-W324 HydrophobicContact CB-CE3 4.39Å; N281-W324 HydrophobicContact CB-CG 4.38Å; N281-W324 HydrophobicContact CB-CH2 4.49Å; N281-W324 HydrophobicContact CB-CZ2 4.1Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.46Å; P282-W324 VanDerWaalsContact CD-CB 3.47Å; P282-W324 HydrophobicContact CG-CB 4.2Å; I287-W324 HydrophobicContact CG2-CH2 3.76Å; I287-W324 HydrophobicContact CG2-CZ2 3.64Å; A289-W324 HydrophobicContact CB-CZ2 4.1Å; L299-W324 HydrophobicContact CD1-CH2 3.82Å; L299-W324 HydrophobicContact CD1-CZ2 3.85Å; W324-L332 HydrophobicContact CD2-CB 4.05Å; W324-L332 HydrophobicContact CE3-CB 3.88Å; W324-L332 HydrophobicContact CH2-CD2 4.25Å; W324-L332 HydrophobicContact CZ3-CB 4.21Å; W324-L332 HydrophobicContact CZ3-CD2 4.08Å; W324-L346 HydrophobicContact CH2-CD1 3.93Å; W324-L346 HydrophobicContact CH2-CD2 3.68Å; W324-L346 HydrophobicContact CH2-CG 4.49Å; W324-L346 HydrophobicContact CZ3-CD1 4Å; W324-L346 HydrophobicContact CZ3-CD2 4.05Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å; W324-W381 PolarHBondContact O-NE1 3.16Å
325S98.4Very high98.2Very high1 Ų135.8 Ų35.81%0.00717%0.174CC..  trans-63.7134.3167.7177.40000109.7H327 N328 I331S325-H327 PolarHBondContact O-N 2.94Å; S325-H327 PolarHBondContact OG-N 2.9Å; S325-N328 PolarHBondContact OG-N 3.12Å; S325-I331 WeakPolarHBondContact CB-O 3.44Å; S325-I331 PolarHBondContact N-O 3.17Å
326P97.3Very high98.1Very high55 Ų5535.3 Ų35.336%0.35717%0.171SC..SBendtrans-79.6-1.3172.833.4-34.5000112.9Y283 W381Y283-P326 PolarHBondContact OH-O 3.33Å; P326-W381 VanDerWaalsContact CD-CB 3.48Å; P326-W381 HydrophobicContact CG-CB 4Å
327H97.5Very high98.1Very high68 Ų6828.4 Ų28.432%0.31514%0.142SC..SBendtrans-115.2-22.9-176.2-60.1-73.9000114.1Y283 S325 N382 P383 P386Y283-H327 WeakPolarHBondContact OH-CA 3.5Å; Y283-H327 PolarHBondContact OH-N 3.29Å; Y283-H327 PolarHBondContact OH-O 3.42Å; S325-H327 PolarHBondContact O-N 2.94Å; S325-H327 PolarHBondContact OG-N 2.9Å; H327-N382 PolarHBondContact NE2-O 2.78Å; H327-P383 PolarHBondContact CE1-O 3.22Å; H327-P386 HydrophobicContact CB-CB 4.4Å
328N97.3Very high98Very high49 Ų4926.5 Ų26.526%0.26213%0.132SC..  trans-133.6130.4-178.1-174.8-31.9000110.7Y283 S325 T330 I331Y283-N328 PolarHBondContact OH-N 2.74Å; S325-N328 PolarHBondContact OG-N 3.12Å; N328-T330 PolarHBondContact O-N 3.2Å; N328-T330 PolarHBondContact OD1-N 2.94Å; N328-T330 PolarHBondContact OD1-OG1 3.13Å; N328-T330 VanDerWaalsContact OD1-OG1 3.11Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.65Å; N328-I331 WeakPolarHBondContact ND2-CG1 3.39Å
329E96.9Very high98Very high124 Ų12424.4 Ų24.458%0.57912%0.121SC*.THydrogen-bonded Turntrans-70.2-25.7-174.669.5-179167.800115.1N281 Y283N281-E329 PolarHBondContact ND2-O 3.24Å; Y283-E329 HydrophobicContact CD1-CB 4.27Å; Y283-E329 HydrophobicContact CD2-CB 3.58Å; Y283-E329 HydrophobicContact CE2-CB 4.14Å; Y283-E329 HydrophobicContact CG-CB 3.62Å
330T97.5Very high98Very high31 Ų3126.5 Ų26.519%0.1913%0.129CC..THydrogen-bonded Turntrans-98.1-6.4-178.164.90000113N328 D345 L346N328-T330 PolarHBondContact O-N 3.2Å; N328-T330 PolarHBondContact OD1-N 2.94Å; N328-T330 PolarHBondContact OD1-OG1 3.13Å; N328-T330 VanDerWaalsContact OD1-OG1 3.11Å; T330-D345 WeakPolarHBondContact CB-OD1 3.32Å; T330-D345 PolarHBondContact OG1-OD1 3.2Å; T330-L346 WeakPolarHBondContact O-CB 3.3Å; T330-L346 WeakPolarHBondContact O-CD1 3.41Å; T330-L346 PolarHBondContact O-N 2.74Å
331I98.5Very high98Very high0 Ų023.8 Ų23.80%012%0.117CC..EExtended strand (participates in β ladder)trans-98.9130.8-172.6-57.7-68.1000111.3S325 N328 V343 W344 D345 L366 W381 W387S325-I331 WeakPolarHBondContact CB-O 3.44Å; S325-I331 PolarHBondContact N-O 3.17Å; N328-I331 HydrophobicContact CB-CB 4.02Å; N328-I331 HydrophobicContact CB-CG1 3.65Å; N328-I331 WeakPolarHBondContact ND2-CG1 3.39Å; I331-V343 HydrophobicContact CG2-CG1 3.71Å; I331-W344 WeakPolarHBondContact CA-O 3.28Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; I331-L366 HydrophobicContact CD1-CD2 3.97Å; I331-W381 HydrophobicContact CG2-CH2 3.73Å; I331-W381 HydrophobicContact CG2-CZ2 3.97Å; I331-W387 HydrophobicContact CB-CZ3 4.47Å; I331-W387 HydrophobicContact CD1-CH2 3.68Å; I331-W387 HydrophobicContact CD1-CZ3 4.04Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ3 3.96Å; I331-W387 HydrophobicContact CG2-CH2 4.35Å; I331-W387 HydrophobicContact CG2-CZ3 3.83Å
332L98.5Very high98Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-133.5159.1166.769161.5000110.3A289 V297 F312 V322 W324 W344 L346A289-L332 HydrophobicContact CB-CD1 3.89Å; V297-L332 HydrophobicContact CG1-CD1 4.04Å; F312-L332 HydrophobicContact CE2-CD1 4.31Å; F312-L332 HydrophobicContact CE2-CD2 4.49Å; F312-L332 HydrophobicContact CZ-CD2 4.1Å; V322-L332 HydrophobicContact CG2-CD1 3.93Å; W324-L332 HydrophobicContact CD2-CB 4.05Å; W324-L332 HydrophobicContact CE3-CB 3.88Å; W324-L332 HydrophobicContact CH2-CD2 4.25Å; W324-L332 HydrophobicContact CZ3-CB 4.21Å; W324-L332 HydrophobicContact CZ3-CD2 4.08Å; L332-W344 HydrophobicContact CD2-CB 3.69Å; L332-W344 HydrophobicContact CD2-CG 4.43Å; L332-W344 HydrophobicContact CG-CB 4.02Å; L332-W344 HydrophobicContact CG-CG 4.32Å; L332-W344 PolarHBondContact N-O 3.1Å; L332-W344 VanDerWaalsContact N-O 3.14Å; L332-W344 PolarHBondContact O-N 2.83Å; L332-L346 HydrophobicContact CD2-CD1 3.07Å
333A98.8Very high98Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-124.1155170.500000110.8V322 H323 L341 N342 V343 F379 W381 I389V322-A333 CarbonylContact C-O 3.58Å; V322-A333 VanDerWaalsContact CA-O 3.31Å; V322-A333 WeakPolarHBondContact CA-O 3.48Å; V322-A333 WeakPolarHBondContact CG2-O 3.42Å; H323-A333 PolarHBondContact N-O 3.02Å; H323-A333 PolarHBondContact O-N 3.44Å; A333-L341 HydrophobicContact CB-CD2 3.85Å; A333-N342 CarbonylContact C-O 3.58Å; A333-N342 WeakPolarHBondContact CA-O 3.4Å; A333-N342 WeakPolarHBondContact CB-O 3.26Å; A333-V343 HydrophobicContact CB-CG2 4.38Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.74Å; A333-F379 WeakPolarHBondContact O-CZ 3.13Å; A333-W381 HydrophobicContact CB-CH2 4.45Å; A333-W381 HydrophobicContact CB-CZ2 3.48Å; A333-W381 VanDerWaalsContact CB-CZ2 3.48Å; A333-I389 HydrophobicContact CB-CD1 4.5Å
334S98.8Very high98Very high0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-139.4149.2171.656.30000111.1H315 Q321 L341 N342 W344H315-S334 PolarHBondContact CD2-OG 2.81Å; H315-S334 PolarHBondContact NE2-O 3.46Å; H315-S334 PolarHBondContact NE2-OG 2.93Å; Q321-S334 CarbonylContact O-C 3.52Å; Q321-S334 WeakPolarHBondContact O-CA 3.34Å; Q321-S334 WeakPolarHBondContact O-CB 3.26Å; S334-L341 CarbonylContact O-C 3.5Å; S334-L341 VanDerWaalsContact O-CA 3.22Å; S334-L341 WeakPolarHBondContact O-CA 3.35Å; S334-N342 PolarHBondContact N-O 2.99Å; S334-N342 PolarHBondContact O-N 2.8Å; S334-W344 PolarHBondContact OG-NE1 3.24Å
335S98.6Very high98Very high0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-138.715617671.10000111.4F320 Q321 R340 F379F320-S335 PolarHBondContact N-O 2.92Å; Q321-S335 PolarHBondContact N-O 2.81Å; Q321-S335 PolarHBondContact O-N 2.77Å; S335-R340 WeakPolarHBondContact CA-O 3.32Å; S335-F379 WeakPolarHBondContact OG-CD1 3.15Å
336G95.6Very high98Very high0 Ų023.2 Ų23.20%012%0.116CC..EExtended strand (participates in β ladder)trans-157-165.7-174.200000115.9E318 D338 R339 R340 I376E318-G336 CarbonylContact O-C 3.52Å; E318-G336 WeakPolarHBondContact O-CA 3.46Å; G336-D338 PolarHBondContact O-N 2.81Å; G336-R339 PolarHBondContact O-N 3.04Å; G336-R340 PolarHBondContact N-O 3.26Å; G336-I376 PolarHBondContact O-N 2.87Å
337T97.6Very high97.9Very high11 Ų1123.9 Ų23.97%0.06712%0.122CC..THydrogen-bonded Turntrans-72.8-17-179.857.10000113D317 E318 F320 R339 K375D317-T337 WeakPolarHBondContact CB-OG1 3.11Å; D317-T337 WeakPolarHBondContact OD2-CB 3.4Å; D317-T337 PolarHBondContact OD2-OG1 3.13Å; E318-T337 HydrophobicContact CB-CG2 4.14Å; E318-T337 PolarHBondContact N-OG1 3.15Å; E318-T337 VanDerWaalsContact N-OG1 3.13Å; E318-T337 PolarHBondContact O-N 2.76Å; E318-T337 PolarHBondContact O-OG1 2.89Å; F320-T337 HydrophobicContact CD1-CG2 4.32Å; F320-T337 HydrophobicContact CD2-CG2 4.19Å; F320-T337 HydrophobicContact CE1-CG2 3.6Å; F320-T337 HydrophobicContact CE2-CG2 3.45Å; F320-T337 VanDerWaalsContact CE2-CG2 3.45Å; F320-T337 HydrophobicContact CZ-CG2 3.12Å; T337-R339 PolarHBondContact O-N 2.91Å; T337-R339 VanDerWaalsContact O-N 3.12Å; T337-K375 HydrophobicContact CG2-CD 3.93Å; T337-K375 HydrophobicContact CG2-CG 4.38Å
338D97.6Very high97.8Very high17 Ų1721.8 Ų21.89%0.09111%0.112CC..THydrogen-bonded Turntrans-72.94175.267.21.8000114.1H315 K316 D317 G336 R340H315-D338 WeakPolarHBondContact CA-OD2 3.41Å; H315-D338 WeakPolarHBondContact CB-OD2 3.26Å; H315-D338 IonicContact CE1-OD1 3.94Å; H315-D338 IonicContact CG-OD2 3.31Å; H315-D338 IonicContact ND1-OD1 3.91Å; H315-D338 PolarHBondContact ND1-OD1 3.26Å; H315-D338 IonicContact ND1-OD2 3.31Å; H315-D338 PolarHBondContact ND1-OD2 2.99Å; K316-D338 HydrophobicContact CB-CB 4.28Å; K316-D338 PolarHBondContact N-OD2 3.38Å; D317-D338 HydrophobicContact CB-CB 3.84Å; G336-D338 PolarHBondContact O-N 2.81Å; D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 2.83Å; D338-R340 VanDerWaalsContact OD1-N 3.07Å
339R97.9Very high97.8Very high35 Ų3522.2 Ų22.213%0.13211%0.114CC..SBendtrans66.921.4176.7-41.6170-80125.73112.3E19 G336 T337 T373 A374E19-R339 IonicContact OE1-NH2 2.94Å; E19-R339 IonicContact OE2-CZ 3.99Å; E19-R339 IonicContact OE2-NH1 3.75Å; E19-R339 PolarHBondContact OE2-NH1 3.09Å; E19-R339 VanDerWaalsContact OE2-NH1 3.14Å; E19-R339 IonicContact OE2-NH2 3.28Å; E19-R339 PolarHBondContact OE2-NH2 2.84Å; G336-R339 PolarHBondContact O-N 3.04Å; T337-R339 PolarHBondContact O-N 2.91Å; T337-R339 VanDerWaalsContact O-N 3.12Å; R339-T373 WeakPolarHBondContact CD-O 3.38Å; R339-A374 WeakPolarHBondContact CB-O 3.47Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å
340R98.1Very high97.7Very high44 Ų4419.7 Ų19.717%0.16612%0.121CC..  trans-118.3147.5178.6-58.9-58.1178-111.4-1.5110.9E19 S335 G336 D338 I368 H369E19-R340 VanDerWaalsContact CD-NH2 3.35Å; E19-R340 IonicContact OE1-NH2 3.85Å; E19-R340 IonicContact OE2-CZ 3.44Å; E19-R340 IonicContact OE2-NH2 2.98Å; E19-R340 PolarHBondContact OE2-NH2 2.79Å; S335-R340 WeakPolarHBondContact CA-O 3.32Å; G336-R340 PolarHBondContact N-O 3.26Å; D338-R340 PolarHBondContact O-N 2.86Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 2.83Å; D338-R340 VanDerWaalsContact OD1-N 3.07Å; R340-I368 HydrophobicContact CB-CG2 4.08Å; R340-I368 HydrophobicContact CG-CG2 4.07Å; R340-H369 WeakPolarHBondContact CA-O 3.24Å
341L98.7Very high97.6Very high0 Ų022.7 Ų22.70%013%0.133CC..EExtended strand (participates in β ladder)trans-118.9115.3164.8-175.4163.3000107.8A333 S334 V343 H369 I376 F379 I389 W401A333-L341 HydrophobicContact CB-CD2 3.85Å; S334-L341 CarbonylContact O-C 3.5Å; S334-L341 VanDerWaalsContact O-CA 3.22Å; S334-L341 WeakPolarHBondContact O-CA 3.35Å; L341-V343 HydrophobicContact CD2-CG2 4.03Å; L341-H369 HydrophobicContact CB-CB 4.21Å; L341-H369 PolarHBondContact N-O 3.02Å; L341-H369 VanDerWaalsContact N-O 3.11Å; L341-H369 PolarHBondContact O-N 3.12Å; L341-I376 HydrophobicContact CB-CD1 3.89Å; L341-F379 HydrophobicContact CD1-CB 3.66Å; L341-F379 HydrophobicContact CD1-CD1 3.92Å; L341-F379 HydrophobicContact CD1-CD2 3.77Å; L341-F379 HydrophobicContact CD1-CE2 4.4Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; L341-I389 HydrophobicContact CD1-CG2 4.07Å; L341-I389 HydrophobicContact CD2-CD1 4.23Å; L341-W401 HydrophobicContact CB-CZ2 4.47Å; L341-W401 HydrophobicContact CD1-CZ2 3.98Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.63Å; L341-W401 HydrophobicContact CG-CZ2 4.23Å
342N98.7Very high97.4Very high2 Ų232.2 Ų32.21%0.01118%0.177CC..EExtended strand (participates in β ladder)trans-95.1135.5179.9-68.63000109.2S314 A333 S334 W344 L365 F367S314-N342 WeakPolarHBondContact CB-ND2 3.12Å; S314-N342 PolarHBondContact OG-ND2 3.05Å; A333-N342 CarbonylContact C-O 3.58Å; A333-N342 WeakPolarHBondContact CA-O 3.4Å; A333-N342 WeakPolarHBondContact CB-O 3.26Å; S334-N342 PolarHBondContact N-O 2.99Å; S334-N342 PolarHBondContact O-N 2.8Å; N342-W344 HydrophobicContact CB-CD2 4.36Å; N342-W344 HydrophobicContact CB-CH2 4.45Å; N342-W344 HydrophobicContact CB-CZ2 3.6Å; N342-W344 VanDerWaalsContact ND2-CZ2 3.35Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.41Å; N342-L365 HydrophobicContact CB-CD1 3.77Å; N342-F367 CarbonylContact C-O 3.59Å; N342-F367 WeakPolarHBondContact CA-O 3.36Å
343V98.7Very high97.2Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-105.4132.2167.7-175.40000107.7I331 A333 L341 L366 F367 W381 W387 I389 W401 M403I331-V343 HydrophobicContact CG2-CG1 3.71Å; A333-V343 HydrophobicContact CB-CG2 4.38Å; L341-V343 HydrophobicContact CD2-CG2 4.03Å; V343-L366 HydrophobicContact CG1-CD2 4.17Å; V343-L366 WeakPolarHBondContact O-CB 3.27Å; V343-L366 PolarHBondContact O-N 3.09Å; V343-F367 HydrophobicContact CB-CB 4.17Å; V343-F367 HydrophobicContact CG2-CB 4.45Å; V343-F367 PolarHBondContact N-O 2.58Å; V343-F367 PolarHBondContact O-N 2.82Å; V343-F367 VanDerWaalsContact O-N 3.16Å; V343-W381 HydrophobicContact CG1-CH2 4.07Å; V343-W381 HydrophobicContact CG2-CH2 4.43Å; V343-W387 HydrophobicContact CG1-CZ3 4.46Å; V343-I389 HydrophobicContact CG2-CD1 4.35Å; V343-W401 HydrophobicContact CG2-CH2 4.09Å; V343-M403 HydrophobicContact CB-CE 4.31Å; V343-M403 HydrophobicContact CG1-CE 4.09Å; V343-M403 HydrophobicContact CG2-CE 3.89Å
344W98.6Very high97Very high0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-120.5143.1-174.3-47.592.6000110.4F312 I331 L332 S334 N342 P362 E364 L365F312-W344 HydrophobicContact CB-CD2 4.09Å; F312-W344 HydrophobicContact CB-CE3 3.98Å; F312-W344 HydrophobicContact CB-CH2 3.78Å; F312-W344 HydrophobicContact CB-CZ2 3.98Å; F312-W344 HydrophobicContact CB-CZ3 3.82Å; F312-W344 HydrophobicContact CD1-CB 4.16Å; F312-W344 AromaticContact CD1-CD2 3.92Å; F312-W344 HydrophobicContact CD1-CD2 3.92Å; F312-W344 AromaticContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CE3 3.71Å; F312-W344 HydrophobicContact CD1-CG 4.15Å; F312-W344 HydrophobicContact CD1-CZ3 4.27Å; F312-W344 HydrophobicContact CE1-CB 4.15Å; F312-W344 HydrophobicContact CG-CD2 4.22Å; F312-W344 HydrophobicContact CG-CE3 4.24Å; I331-W344 WeakPolarHBondContact CA-O 3.28Å; L332-W344 HydrophobicContact CD2-CB 3.69Å; L332-W344 HydrophobicContact CD2-CG 4.43Å; L332-W344 HydrophobicContact CG-CB 4.02Å; L332-W344 HydrophobicContact CG-CG 4.32Å; L332-W344 PolarHBondContact N-O 3.1Å; L332-W344 VanDerWaalsContact N-O 3.14Å; L332-W344 PolarHBondContact O-N 2.83Å; S334-W344 PolarHBondContact OG-NE1 3.24Å; N342-W344 HydrophobicContact CB-CD2 4.36Å; N342-W344 HydrophobicContact CB-CH2 4.45Å; N342-W344 HydrophobicContact CB-CZ2 3.6Å; N342-W344 VanDerWaalsContact ND2-CZ2 3.35Å; N342-W344 WeakPolarHBondContact ND2-CZ2 3.41Å; W344-P362 HydrophobicContact CZ3-CG 4.38Å; W344-E364 CarbonylContact C-O 3.58Å; W344-E364 WeakPolarHBondContact CA-O 3.33Å; W344-E364 HydrophobicContact CE3-CG 4.3Å; W344-L365 HydrophobicContact CD2-CD1 4.19Å; W344-L365 HydrophobicContact CE3-CB 3.99Å; W344-L365 HydrophobicContact CE3-CD1 3.74Å; W344-L365 HydrophobicContact CE3-CG 4.47Å; W344-L365 HydrophobicContact CH2-CD1 3.98Å; W344-L365 HydrophobicContact CZ2-CD1 4.33Å; W344-L365 HydrophobicContact CZ3-CB 3.83Å; W344-L365 HydrophobicContact CZ3-CD1 3.63Å; W344-L365 HydrophobicContact CZ3-CG 4.22Å
345D97.8Very high96.7Very high15 Ų1542.3 Ų42.38%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-119.1110.8172.1-172.5-0.8000111.2T330 I331 S347 K348 E364 L366T330-D345 WeakPolarHBondContact CB-OD1 3.32Å; T330-D345 PolarHBondContact OG1-OD1 3.2Å; I331-D345 HydrophobicContact CD1-CB 3.59Å; D345-S347 PolarHBondContact O-N 2.63Å; D345-S347 VanDerWaalsContact OD1-CB 3.3Å; D345-S347 WeakPolarHBondContact OD1-CB 3.27Å; D345-S347 PolarHBondContact OD1-N 3.29Å; D345-S347 PolarHBondContact OD1-OG 2.91Å; D345-S347 PolarHBondContact OD2-OG 2.96Å; D345-K348 HydrophobicContact CB-CD 4.36Å; D345-K348 HydrophobicContact CB-CG 4.29Å; D345-K348 PolarHBondContact O-N 3.4Å; D345-E364 PolarHBondContact N-O 2.89Å; D345-E364 VanDerWaalsContact O-CB 3.26Å; D345-E364 WeakPolarHBondContact O-CB 3.36Å; D345-L366 HydrophobicContact CB-CB 4.46Å
346L97.9Very high96.5Very high36 Ų3649.5 Ų49.519%0.18828%0.278CS..G310 helixtrans-58.9-27.2176.4-91.666.4000113.2L299 F312 W324 T330 L332 K348 I349L299-L346 HydrophobicContact CD1-CD2 4.01Å; L299-L346 HydrophobicContact CD2-CD2 3.72Å; L299-L346 HydrophobicContact CD2-CG 4.13Å; F312-L346 HydrophobicContact CE1-CD1 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.54Å; F312-L346 HydrophobicContact CZ-CG 4.16Å; W324-L346 HydrophobicContact CH2-CD1 3.93Å; W324-L346 HydrophobicContact CH2-CD2 3.68Å; W324-L346 HydrophobicContact CH2-CG 4.49Å; W324-L346 HydrophobicContact CZ3-CD1 4Å; W324-L346 HydrophobicContact CZ3-CD2 4.05Å; T330-L346 WeakPolarHBondContact O-CB 3.3Å; T330-L346 WeakPolarHBondContact O-CD1 3.41Å; T330-L346 PolarHBondContact O-N 2.74Å; L332-L346 HydrophobicContact CD2-CD1 3.07Å; L346-K348 PolarHBondContact O-N 3.19Å; L346-I349 HydrophobicContact CB-CD1 4.19Å; L346-I349 HydrophobicContact CG-CD1 3.93Å; L346-I349 WeakPolarHBondContact O-CG1 3.49Å; L346-I349 PolarHBondContact O-N 3.48Å
347S96.5Very high96.3Very high70 Ų7053.6 Ų53.649%0.4930%0.3SS..G310 helixtrans-64.6-27.9-178820000112D345D345-S347 PolarHBondContact O-N 2.63Å; D345-S347 VanDerWaalsContact OD1-CB 3.3Å; D345-S347 WeakPolarHBondContact OD1-CB 3.27Å; D345-S347 PolarHBondContact OD1-N 3.29Å; D345-S347 PolarHBondContact OD1-OG 2.91Å; D345-S347 PolarHBondContact OD2-OG 2.96Å
348K95.9Very high96Very high24 Ų2455.7 Ų55.710%0.10432%0.319CS..G310 helixtrans-89.70.1-177.3-60.3-174.2175-71.20114.1D345 L346 G350 E351 P363 D410D345-K348 HydrophobicContact CB-CD 4.36Å; D345-K348 HydrophobicContact CB-CG 4.29Å; D345-K348 PolarHBondContact O-N 3.4Å; L346-K348 PolarHBondContact O-N 3.19Å; K348-G350 PolarHBondContact O-N 2.92Å; K348-G350 VanDerWaalsContact O-N 3.11Å; K348-E351 HydrophobicContact CB-CG 4.37Å; K348-E351 IonicContact NZ-OE2 3.94Å; K348-E351 WeakPolarHBondContact O-CB 3.29Å; K348-E351 PolarHBondContact O-N 3.04Å; K348-E351 VanDerWaalsContact O-N 3.07Å; K348-P363 HydrophobicContact CB-CB 4.48Å; K348-P363 WeakPolarHBondContact CB-O 3.47Å; K348-P363 WeakPolarHBondContact CD-O 3.42Å; K348-P363 WeakPolarHBondContact O-CB 3.5Å; K348-P363 WeakPolarHBondContact O-CG 3.33Å; K348-D410 IonicContact NZ-OD1 2.61Å; K348-D410 IonicContact NZ-OD2 2.84Å; K348-D410 PolarHBondContact NZ-OD2 3.33Å
349I97Very high95.8Very high58 Ų5863 Ų6330%0.29735%0.352SS..THydrogen-bonded Turntrans-60.5119.6178.9-67.8170.8000109.7H310 F312 L346 E351 E364H310-I349 HydrophobicContact CB-CD1 4.24Å; F312-I349 HydrophobicContact CE1-CD1 4.07Å; F312-I349 HydrophobicContact CE1-CG1 4.46Å; F312-I349 HydrophobicContact CZ-CD1 4.11Å; L346-I349 HydrophobicContact CB-CD1 4.19Å; L346-I349 HydrophobicContact CG-CD1 3.93Å; L346-I349 WeakPolarHBondContact O-CG1 3.49Å; L346-I349 PolarHBondContact O-N 3.48Å; I349-E351 VanDerWaalsContact C-N 3.34Å; I349-E364 HydrophobicContact CG1-CB 3.74Å; I349-E364 HydrophobicContact CG1-CG 4.07Å
350G94.5Very high95.4Very high70 Ų7067.8 Ų67.872%0.72238%0.381SS*.THydrogen-bonded Turntrans80.211178.300000114.8K348K348-G350 PolarHBondContact O-N 2.92Å; K348-G350 VanDerWaalsContact O-N 3.11Å
351E95.1Very high95.2Very high95 Ų9566.5 Ų66.544%0.44438%0.381SS..  trans-62.8145.9167.1-72.3-173.3171.500111.3K348 I349 P363K348-E351 HydrophobicContact CB-CG 4.37Å; K348-E351 IonicContact NZ-OE2 3.94Å; K348-E351 WeakPolarHBondContact O-CB 3.29Å; K348-E351 PolarHBondContact O-N 3.04Å; K348-E351 VanDerWaalsContact O-N 3.07Å; I349-E351 VanDerWaalsContact C-N 3.34Å; E351-P363 HydrophobicContact CB-CB 3.99Å; E351-P363 HydrophobicContact CB-CG 4.44Å
352E94.8Very high95.1Very high200 Ų20068.1 Ų68.194%0.93539%0.392SS*.  trans-78.3128.8176.9-66-175.1170.500110
353Q93.9Very high95Very high75 Ų7569.1 Ų69.135%0.3540%0.398SS..  trans-110156.4175.9-72.6177.7-59.500111.4D357 A358 G361 P363Q353-D357 HydrophobicContact CB-CB 4.19Å; Q353-D357 HydrophobicContact CG-CB 4.43Å; Q353-A358 HydrophobicContact CB-CB 4.32Å; Q353-G361 PolarHBondContact NE2-O 3Å; Q353-G361 VanDerWaalsContact NE2-O 3.09Å; Q353-G361 PolarHBondContact OE1-O 2.67Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-CD 3.23Å
354S94.1Very high94.9Very high53 Ų5369.6 Ų69.637%0.37140%0.4SS..  trans-66162.6163.982.40000110.4E356 D357 A358S354-E356 PolarHBondContact O-N 2.83Å; S354-E356 PolarHBondContact OG-N 2.98Å; S354-D357 VanDerWaalsContact CB-OD2 3.32Å; S354-D357 WeakPolarHBondContact CB-OD2 3.47Å; S354-D357 PolarHBondContact O-N 3.1Å; S354-D357 PolarHBondContact OG-N 2.8Å; S354-D357 VanDerWaalsContact OG-N 3.15Å; S354-D357 PolarHBondContact OG-OD2 2.93Å; S354-A358 WeakPolarHBondContact O-CB 3.35Å; S354-A358 PolarHBondContact O-N 3.37Å
355A94Very high94.9Very high83 Ų8370.7 Ų70.769%0.68641%0.406SS*.THydrogen-bonded Turntrans-63.2-29.9176.400000112.3E359A355-E359 WeakPolarHBondContact O-CG 3.45Å
356E92.8Very high94.8Very high152 Ų15271.1 Ų71.171%0.7141%0.408SS*.THydrogen-bonded Turntrans-72.2-47178.3-63.9177.4-177.800110.2S354 A358 E359S354-E356 PolarHBondContact O-N 2.83Å; S354-E356 PolarHBondContact OG-N 2.98Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.02Å; E356-E359 WeakPolarHBondContact O-CB 3.28Å; E356-E359 PolarHBondContact O-N 2.91Å; E356-E359 VanDerWaalsContact O-N 3.13Å
357D91.5Very high94.8Very high85 Ų8570.2 Ų70.246%0.45540%0.403SS..Hα-helixtrans-65.9-34.9179.3-53.6-48.8000112.2Q353 S354 E359 D360 G361Q353-D357 HydrophobicContact CB-CB 4.19Å; Q353-D357 HydrophobicContact CG-CB 4.43Å; S354-D357 VanDerWaalsContact CB-OD2 3.32Å; S354-D357 WeakPolarHBondContact CB-OD2 3.47Å; S354-D357 PolarHBondContact O-N 3.1Å; S354-D357 PolarHBondContact OG-N 2.8Å; S354-D357 VanDerWaalsContact OG-N 3.15Å; S354-D357 PolarHBondContact OG-OD2 2.93Å; D357-E359 PolarHBondContact O-N 3.23Å; D357-D360 PolarHBondContact O-N 3.4Å; D357-D360 VanDerWaalsContact O-N 3.09Å; D357-G361 PolarHBondContact O-N 2.8Å
358A92.2Very high94.8Very high56 Ų5670.1 Ų70.146%0.46340%0.396SS..Hα-helixtrans-68-17.8177.100000113.4Q353 S354 E356 D360Q353-A358 HydrophobicContact CB-CB 4.32Å; S354-A358 WeakPolarHBondContact O-CB 3.35Å; S354-A358 PolarHBondContact O-N 3.37Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.02Å; A358-D360 VanDerWaalsContact C-N 3.35Å
359E92.4Very high94.9Very high169 Ų16969 Ų6979%0.7939%0.391SS*.Hα-helixtrans-73.5-28.8171.6-71.5178.6-17600111.8A355 E356 D357A355-E359 WeakPolarHBondContact O-CG 3.45Å; E356-E359 WeakPolarHBondContact O-CB 3.28Å; E356-E359 PolarHBondContact O-N 2.91Å; E356-E359 VanDerWaalsContact O-N 3.13Å; D357-E359 PolarHBondContact O-N 3.23Å
360D90.3Very high94.9Very high137 Ų13766.7 Ų66.773%0.73338%0.382SS*.Hα-helixtrans-82.7-27.4-179.2-72.4-31.3000112.8D357 A358D357-D360 PolarHBondContact O-N 3.4Å; D357-D360 VanDerWaalsContact O-N 3.09Å; A358-D360 VanDerWaalsContact C-N 3.35Å
361G94.1Very high95Very high17 Ų1763.4 Ų63.418%0.17535%0.348CS..  trans160.2173.9174.900000113.6Q353 D357Q353-G361 PolarHBondContact NE2-O 3Å; Q353-G361 VanDerWaalsContact NE2-O 3.09Å; Q353-G361 PolarHBondContact OE1-O 2.67Å; D357-G361 PolarHBondContact O-N 2.8Å
362P96.7Very high95.1Very high34 Ų3459 Ų5922%0.22133%0.327CS..  trans-66.2157.3174.932.8-37.1000110.9W344 E364 L365W344-P362 HydrophobicContact CZ3-CG 4.38Å; P362-E364 PolarHBondContact O-N 2.89Å; P362-L365 HydrophobicContact CG-CB 4Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 2.85Å
363P96.4Very high95.2Very high23 Ų2351.3 Ų51.315%0.14929%0.294CS..THydrogen-bonded Turntrans-63-30.4-172.625.2-33.6000113.4K348 E351 Q353 L365K348-P363 HydrophobicContact CB-CB 4.48Å; K348-P363 WeakPolarHBondContact CB-O 3.47Å; K348-P363 WeakPolarHBondContact CD-O 3.42Å; K348-P363 WeakPolarHBondContact O-CB 3.5Å; K348-P363 WeakPolarHBondContact O-CG 3.33Å; E351-P363 HydrophobicContact CB-CB 3.99Å; E351-P363 HydrophobicContact CB-CG 4.44Å; Q353-P363 HydrophobicContact CG-CB 3.89Å; Q353-P363 VanDerWaalsContact OE1-CD 3.23Å; P363-L365 PolarHBondContact O-N 3.47Å
364E97.2Very high95.4Very high10 Ų1048.7 Ų48.75%0.04729%0.285CS..THydrogen-bonded Turntrans-74.4-7.9176.269.6-85.8-163.600114.3H310 F312 W344 D345 I349 P362 L366H310-E364 IonicContact CD2-OE1 3.48Å; H310-E364 IonicContact CE1-OE1 2.8Å; H310-E364 IonicContact NE2-OE1 3.43Å; H310-E364 PolarHBondContact NE2-OE1 3.35Å; F312-E364 HydrophobicContact CD1-CG 3.62Å; F312-E364 HydrophobicContact CE1-CB 4.34Å; F312-E364 HydrophobicContact CE1-CG 3.79Å; W344-E364 CarbonylContact C-O 3.58Å; W344-E364 WeakPolarHBondContact CA-O 3.33Å; W344-E364 HydrophobicContact CE3-CG 4.3Å; D345-E364 PolarHBondContact N-O 2.89Å; D345-E364 VanDerWaalsContact O-CB 3.26Å; D345-E364 WeakPolarHBondContact O-CB 3.36Å; I349-E364 HydrophobicContact CG1-CB 3.74Å; I349-E364 HydrophobicContact CG1-CG 4.07Å; P362-E364 PolarHBondContact O-N 2.89Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-L366 VanDerWaalsContact O-N 3.14Å
365L97.6Very high95.5Very high23 Ų2350.1 Ų50.112%0.1229%0.285CS..EExtended strand (participates in β ladder)trans-81.788.6172.9-178.860.3000109.8S314 N342 W344 P362 P363 I368S314-L365 WeakPolarHBondContact OG-CD2 3.33Å; N342-L365 HydrophobicContact CB-CD1 3.77Å; W344-L365 HydrophobicContact CD2-CD1 4.19Å; W344-L365 HydrophobicContact CE3-CB 3.99Å; W344-L365 HydrophobicContact CE3-CD1 3.74Å; W344-L365 HydrophobicContact CE3-CG 4.47Å; W344-L365 HydrophobicContact CH2-CD1 3.98Å; W344-L365 HydrophobicContact CZ2-CD1 4.33Å; W344-L365 HydrophobicContact CZ3-CB 3.83Å; W344-L365 HydrophobicContact CZ3-CD1 3.63Å; W344-L365 HydrophobicContact CZ3-CG 4.22Å; P362-L365 HydrophobicContact CG-CB 4Å; P362-L365 WeakPolarHBondContact O-CB 3.38Å; P362-L365 PolarHBondContact O-N 2.85Å; P363-L365 PolarHBondContact O-N 3.47Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å; L365-I368 HydrophobicContact CD2-CD1 3.8Å; L365-I368 HydrophobicContact CD2-CG1 3.94Å; L365-I368 HydrophobicContact CG-CG1 4.17Å
366L96.2Very high95.8Very high24 Ų2446.2 Ų46.213%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-67.1-42.4-176.7-172.967000112.8I331 V343 D345 E364 W387 M403 I407I331-L366 HydrophobicContact CD1-CD2 3.97Å; V343-L366 HydrophobicContact CG1-CD2 4.17Å; V343-L366 WeakPolarHBondContact O-CB 3.27Å; V343-L366 PolarHBondContact O-N 3.09Å; D345-L366 HydrophobicContact CB-CB 4.46Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-L366 VanDerWaalsContact O-N 3.14Å; L366-W387 HydrophobicContact CD2-CH2 4.16Å; L366-W387 HydrophobicContact CD2-CZ3 4.05Å; L366-M403 HydrophobicContact CD2-SD 4.29Å; L366-I407 WeakPolarHBondContact CD1-O 3.48Å; L366-I407 HydrophobicContact CG-CG2 4.42Å
367F97.4Very high96Very high16 Ų1639.6 Ų39.67%0.0722%0.223CC..EExtended strand (participates in β ladder)trans-156.8148.9-175.1-169.7-107.2000113L30 Y31 N342 V343 H369 W401 M403 I407L30-F367 HydrophobicContact CB-CE2 4.16Å; L30-F367 HydrophobicContact CB-CZ 4.25Å; L30-F367 HydrophobicContact CD2-CE2 4.34Å; Y31-F367 HydrophobicContact CD1-CE1 4.45Å; Y31-F367 HydrophobicContact CD1-CZ 4.2Å; Y31-F367 AromaticContact CE1-CE1 3.55Å; Y31-F367 HydrophobicContact CE1-CE1 3.55Å; Y31-F367 AromaticContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE1-CZ 3.51Å; Y31-F367 HydrophobicContact CE2-CZ 4.12Å; Y31-F367 AromaticContact CZ-CE1 3.77Å; Y31-F367 AromaticContact CZ-CZ 3.45Å; Y31-F367 VanDerWaalsContact CZ-CZ 3.45Å; Y31-F367 WeakPolarHBondContact OH-CZ 3.45Å; N342-F367 CarbonylContact C-O 3.59Å; N342-F367 WeakPolarHBondContact CA-O 3.36Å; V343-F367 HydrophobicContact CB-CB 4.17Å; V343-F367 HydrophobicContact CG2-CB 4.45Å; V343-F367 PolarHBondContact N-O 2.58Å; V343-F367 PolarHBondContact O-N 2.82Å; V343-F367 VanDerWaalsContact O-N 3.16Å; F367-H369 HydrophobicContact CD1-CB 4.4Å; F367-H369 HydrophobicContact CE1-CB 4.03Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 AromaticContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 4.4Å; F367-W401 HydrophobicContact CE1-CH2 4.42Å; F367-W401 AromaticContact CE1-CZ3 3.86Å; F367-W401 HydrophobicContact CE1-CZ3 3.86Å; F367-M403 HydrophobicContact CB-SD 4.45Å; F367-M403 HydrophobicContact CD1-CB 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.36Å; F367-M403 HydrophobicContact CE1-CB 4.28Å; F367-M403 HydrophobicContact CE2-CB 4.38Å; F367-M403 HydrophobicContact CG-CB 4.28Å; F367-M403 HydrophobicContact CZ-CB 4.33Å; F367-I407 HydrophobicContact CB-CG2 4.46Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.09Å; F367-I407 HydrophobicContact CE2-CD1 3.55Å
368I97.6Very high96.3Very high69 Ų6935.6 Ų35.635%0.35420%0.201SC..EExtended strand (participates in β ladder)trans-120.9111.1171.5-54.6175.6000109.1R340 L365 G370R340-I368 HydrophobicContact CB-CG2 4.08Å; R340-I368 HydrophobicContact CG-CG2 4.07Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å; L365-I368 HydrophobicContact CD2-CD1 3.8Å; L365-I368 HydrophobicContact CD2-CG1 3.94Å; L365-I368 HydrophobicContact CG-CG1 4.17Å; I368-G370 PolarHBondContact O-N 3.44Å
369H98.2Very high96.7Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-80108.8168.2176.371.9000110.6Y31 R340 L341 F367 H372 Q399 W401Y31-H369 AromaticContact CE1-ND1 3.56Å; Y31-H369 AromaticContact CZ-ND1 3.58Å; Y31-H369 PolarHBondContact OH-ND1 3.48Å; R340-H369 WeakPolarHBondContact CA-O 3.24Å; L341-H369 HydrophobicContact CB-CB 4.21Å; L341-H369 PolarHBondContact N-O 3.02Å; L341-H369 VanDerWaalsContact N-O 3.11Å; L341-H369 PolarHBondContact O-N 3.12Å; F367-H369 HydrophobicContact CD1-CB 4.4Å; F367-H369 HydrophobicContact CE1-CB 4.03Å; H369-H372 AromaticContact CD2-CD2 3.92Å; H369-H372 AromaticContact NE2-CD2 3.58Å; H369-H372 AromaticContact NE2-NE2 3.83Å; H369-Q399 PolarHBondContact CE1-OE1 3.32Å; H369-Q399 PolarHBondContact NE2-OE1 2.83Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.14Å; H369-W401 HydrophobicContact CB-CD2 4.45Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.46Å; H369-W401 VanDerWaalsContact CB-CZ2 3.46Å; H369-W401 HydrophobicContact CB-CZ3 4.19Å; H369-W401 AromaticContact CD2-CE2 3.77Å; H369-W401 AromaticContact CD2-CZ2 3.99Å; H369-W401 AromaticContact CD2-NE1 3.54Å; H369-W401 AromaticContact CE1-CD1 3.57Å; H369-W401 AromaticContact CE1-CG 3.87Å; H369-W401 AromaticContact CE1-NE1 3.65Å; H369-W401 AromaticContact CG-CE2 3.49Å; H369-W401 VanDerWaalsContact CG-CE2 3.49Å; H369-W401 AromaticContact CG-CZ2 3.59Å; H369-W401 AromaticContact CG-NE1 3.71Å; H369-W401 AromaticContact ND1-CD1 3.94Å; H369-W401 AromaticContact ND1-CD2 3.73Å; H369-W401 AromaticContact ND1-CE2 3.68Å; H369-W401 AromaticContact ND1-CG 3.91Å; H369-W401 AromaticContact ND1-NE1 3.79Å; H369-W401 AromaticContact NE2-CD1 3.78Å; H369-W401 AromaticContact NE2-NE1 3.52Å
370G96.5Very high97Very high9 Ų925.7 Ų25.79%0.09315%0.148CC..  trans-106.124.4179.700000114.8I368 H372I368-G370 PolarHBondContact O-N 3.44Å; G370-H372 VanDerWaalsContact C-N 3.34Å; G370-H372 PolarHBondContact O-N 2.78Å
371G96.1Very high97.4Very high1 Ų119.8 Ų19.81%0.0112%0.115CC..  trans-76.1-14.5-174.400000115.4Y20 Q399Y20-G371 WeakPolarHBondContact CE2-O 3.31Å; G371-Q399 VanDerWaalsContact C-NE2 3.35Å; G371-Q399 PolarHBondContact O-NE2 3.22Å
372H97.6Very high97.6Very high2 Ų219 Ų191%0.00911%0.107CC..  trans-94.1144-177.3-70.7-72.7000112.8H369 G370 I376 S391 S393H369-H372 AromaticContact CD2-CD2 3.92Å; H369-H372 AromaticContact NE2-CD2 3.58Å; H369-H372 AromaticContact NE2-NE2 3.83Å; G370-H372 VanDerWaalsContact C-N 3.34Å; G370-H372 PolarHBondContact O-N 2.78Å; H372-I376 HydrophobicContact CB-CD1 4.43Å; H372-I376 HydrophobicContact CB-CG1 4.11Å; H372-S391 PolarHBondContact NE2-OG 2.95Å; H372-S393 WeakPolarHBondContact ND1-CB 3.37Å; H372-S393 PolarHBondContact ND1-OG 3.08Å; H372-S393 VanDerWaalsContact ND1-OG 3.17Å
373T96.7Very high97.6Very high40 Ų4019.4 Ų19.425%0.24511%0.11CC..SBendtrans-100.1-11175.940.80000113.4I16 Y20 R339 D395I16-T373 HydrophobicContact CG2-CG2 3.78Å; Y20-T373 HydrophobicContact CD1-CG2 4.18Å; Y20-T373 HydrophobicContact CD2-CG2 3.93Å; Y20-T373 HydrophobicContact CG-CG2 3.75Å; R339-T373 WeakPolarHBondContact CD-O 3.38Å; T373-D395 PolarHBondContact OG1-OD2 3.02Å
374A97.4Very high97.6Very high20 Ų2021.4 Ų21.417%0.16512%0.119CC..SBendtrans-127.4176.9172.700000111.4R339 E394 D395R339-A374 WeakPolarHBondContact CB-O 3.47Å; R339-A374 WeakPolarHBondContact CG-O 3.37Å; A374-E394 HydrophobicContact CB-CB 4.33Å; A374-D395 HydrophobicContact CB-CB 3.64Å; A374-D395 VanDerWaalsContact CB-CG 3.44Å; A374-D395 WeakPolarHBondContact CB-OD2 3.45Å; A374-D395 PolarHBondContact N-OD2 2.94Å
375K97.7Very high97.5Very high83 Ų8323.7 Ų23.736%0.36113%0.129SC..  trans-58.2141.4-179.8-55.7176.5178.7175.50110.1T337 S393 E394T337-K375 HydrophobicContact CG2-CD 3.93Å; T337-K375 HydrophobicContact CG2-CG 4.38Å; K375-S393 WeakPolarHBondContact O-CA 3.37Å; K375-S393 WeakPolarHBondContact O-CB 3.18Å; K375-E394 HydrophobicContact CB-CG 4.22Å; K375-E394 PolarHBondContact O-N 2.83Å; K375-E394 VanDerWaalsContact O-N 3.09Å
376I98.6Very high97.4Very high0 Ų025.2 Ų25.20%014%0.141CC..EExtended strand (participates in β ladder)trans-89114.9177.6-58.9177.5000108.1G336 L341 H372 V392G336-I376 PolarHBondContact O-N 2.87Å; L341-I376 HydrophobicContact CB-CD1 3.89Å; H372-I376 HydrophobicContact CB-CD1 4.43Å; H372-I376 HydrophobicContact CB-CG1 4.11Å; I376-V392 CarbonylContact C-O 3.57Å
377S97.9Very high97.4Very high14 Ų1425.5 Ų25.510%0.09814%0.14CC..EExtended strand (participates in β ladder)trans-78.8-40.6-175.1-46.40000112.6V392S377-V392 PolarHBondContact N-O 3.4Å
378D98.6Very high97.4Very high0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-157.6158.7178.6-159.711.5000110.4T45 V46 R128 R130 V392T45-D378 VanDerWaalsContact CA-OD2 3.29Å; T45-D378 WeakPolarHBondContact CA-OD2 3.4Å; T45-D378 PolarHBondContact OG1-OD2 3.29Å; V46-D378 HydrophobicContact CG1-CB 4.11Å; V46-D378 PolarHBondContact N-OD2 3.26Å; R128-D378 VanDerWaalsContact NH1-CG 3.28Å; R128-D378 IonicContact NH1-OD1 3.99Å; R128-D378 PolarHBondContact NH1-OD1 3.03Å; R128-D378 IonicContact NH1-OD2 3.93Å; R128-D378 PolarHBondContact NH1-OD2 3.14Å; R130-D378 IonicContact CZ-OD2 2.7Å; R130-D378 IonicContact NH1-OD2 3.44Å; R130-D378 PolarHBondContact NH1-OD2 2.99Å; R130-D378 IonicContact NH2-OD1 2.69Å; R130-D378 PolarHBondContact NH2-OD1 2.81Å; R130-D378 IonicContact NH2-OD2 2.86Å; R130-D378 PolarHBondContact NH2-OD2 3.08Å; D378-V392 HydrophobicContact CB-CG2 4.03Å; D378-V392 WeakPolarHBondContact O-CG2 3.33Å; D378-V392 PolarHBondContact O-N 2.86Å
379F98.8Very high97.5Very high1 Ų121.6 Ų21.60%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-147.4158.5170.976.9-86000111.4Q321 H323 A333 S335 L341 W381 I389 C390Q321-F379 HydrophobicContact CB-CD1 3.85Å; Q321-F379 HydrophobicContact CB-CE1 3.56Å; H323-F379 HydrophobicContact CB-CE2 3.82Å; H323-F379 HydrophobicContact CB-CZ 3.78Å; H323-F379 AromaticContact CD2-CZ 3.87Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.74Å; A333-F379 WeakPolarHBondContact O-CZ 3.13Å; S335-F379 WeakPolarHBondContact OG-CD1 3.15Å; L341-F379 HydrophobicContact CD1-CB 3.66Å; L341-F379 HydrophobicContact CD1-CD1 3.92Å; L341-F379 HydrophobicContact CD1-CD2 3.77Å; L341-F379 HydrophobicContact CD1-CE2 4.4Å; L341-F379 HydrophobicContact CD1-CG 3.5Å; L341-F379 VanDerWaalsContact CD1-CG 3.5Å; F379-W381 AromaticContact CE2-NE1 3.96Å; F379-I389 HydrophobicContact CB-CG2 4.27Å; F379-I389 HydrophobicContact CD2-CG2 3.96Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.21Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å
380S98.7Very high97.5Very high17 Ų1721.6 Ų21.612%0.11912%0.121CC..EExtended strand (participates in β ladder)trans-143.2130.6179.5-175.90000110.6W48 C390W48-S380 VanDerWaalsContact CD1-O 3.22Å; W48-S380 PolarHBondContact N-OG 3.47Å; W48-S380 PolarHBondContact NE1-O 3.01Å; W48-S380 VanDerWaalsContact NE1-O 3.16Å; S380-C390 PolarHBondContact N-O 2.89Å; S380-C390 PolarHBondContact O-N 2.87Å
381W98.7Very high97.6Very high13 Ų1321.1 Ų21.15%0.04912%0.116CC..EExtended strand (participates in β ladder)trans-64.7139.6163.1-65.499.3000110.4H323 W324 P326 I331 A333 V343 F379 P383 W387 I389H323-W381 PolarHBondContact O-NE1 2.7Å; W324-W381 VanDerWaalsContact O-CD1 3.28Å; W324-W381 PolarHBondContact O-NE1 3.16Å; P326-W381 VanDerWaalsContact CD-CB 3.48Å; P326-W381 HydrophobicContact CG-CB 4Å; I331-W381 HydrophobicContact CG2-CH2 3.73Å; I331-W381 HydrophobicContact CG2-CZ2 3.97Å; A333-W381 HydrophobicContact CB-CH2 4.45Å; A333-W381 HydrophobicContact CB-CZ2 3.48Å; A333-W381 VanDerWaalsContact CB-CZ2 3.48Å; V343-W381 HydrophobicContact CG1-CH2 4.07Å; V343-W381 HydrophobicContact CG2-CH2 4.43Å; F379-W381 AromaticContact CE2-NE1 3.96Å; W381-P383 WeakPolarHBondContact O-CD 3.28Å; W381-W387 HydrophobicContact CH2-CE3 4.45Å; W381-W387 HydrophobicContact CZ3-CE3 4.25Å; W381-I389 HydrophobicContact CD2-CD1 3.98Å; W381-I389 HydrophobicContact CD2-CG1 3.91Å; W381-I389 HydrophobicContact CE3-CD1 3.72Å; W381-I389 HydrophobicContact CE3-CG1 3.46Å; W381-I389 VanDerWaalsContact CE3-CG1 3.46Å; W381-I389 HydrophobicContact CH2-CD1 3.59Å; W381-I389 HydrophobicContact CH2-CG1 4.27Å; W381-I389 HydrophobicContact CZ2-CD1 3.86Å; W381-I389 HydrophobicContact CZ3-CD1 3.51Å; W381-I389 HydrophobicContact CZ3-CG1 3.67Å
382N98.2Very high97.7Very high0 Ų021.1 Ų21.10%012%0.116CC..  trans-74.4120.8171.5-173.5-25.4000108.9W48 H63 H327 N384 E385 V388W48-N382 VanDerWaalsContact CD1-CA 3.47Å; W48-N382 HydrophobicContact CD2-CB 4.2Å; W48-N382 HydrophobicContact CG-CB 4.2Å; H63-N382 PolarHBondContact ND1-ND2 3.3Å; H327-N382 PolarHBondContact NE2-O 2.78Å; N382-N384 PolarHBondContact O-N 3.19Å; N382-N384 PolarHBondContact OD1-N 3.46Å; N382-E385 HydrophobicContact CB-CB 4.47Å; N382-E385 PolarHBondContact OD1-N 3.23Å; N382-V388 HydrophobicContact CB-CB 3.84Å; N382-V388 HydrophobicContact CB-CG1 3.99Å; N382-V388 VanDerWaalsContact CB-O 3.32Å; N382-V388 WeakPolarHBondContact CB-O 3.42Å; N382-V388 PolarHBondContact N-O 2.87Å
383P97.2Very high97.7Very high43 Ų4321 Ų2128%0.27912%0.116SC..SBendtrans-72-11-178.529.2-35.1000113.5W48 H327 W381W48-P383 VanDerWaalsContact CB-CD 3.41Å; W48-P383 HydrophobicContact CB-CG 4.29Å; H327-P383 PolarHBondContact CE1-O 3.22Å; W381-P383 WeakPolarHBondContact O-CD 3.28Å
384N96.6Very high97.7Very high65 Ų6523.5 Ų23.535%0.34812%0.124SC..SBendtrans-110.2-27.6-176-65.6-77.9000114P50 V52 N382P50-N384 PolarHBondContact O-ND2 3Å; P50-N384 PolarHBondContact O-OD1 3.15Å; V52-N384 HydrophobicContact CG2-CB 3.67Å; V52-N384 VanDerWaalsContact CG2-ND2 3.28Å; V52-N384 WeakPolarHBondContact CG2-ND2 3.27Å; N382-N384 PolarHBondContact O-N 3.19Å; N382-N384 PolarHBondContact OD1-N 3.46Å
385E95.5Very high97.6Very high57 Ų5724.9 Ų24.927%0.26613%0.129SC..SBendtrans-118113.6-179.7-60.5-61159.100108.9K54 H63 N382 V388K54-E385 IonicContact NZ-OE1 3.62Å; H63-E385 IonicContact CE1-OE1 2.86Å; N382-E385 HydrophobicContact CB-CB 4.47Å; N382-E385 PolarHBondContact OD1-N 3.23Å; E385-V388 HydrophobicContact CB-CB 4.07Å; E385-V388 HydrophobicContact CB-CG2 3.65Å; E385-V388 PolarHBondContact O-N 3.37Å
386P95.4Very high97.5Very high55 Ų5523 Ų2336%0.35712%0.123SC..THydrogen-bonded Turntrans-53.3144.8176.2-26.835.5000112.1H327 V388H327-P386 HydrophobicContact CB-CB 4.4Å; P386-V388 PolarHBondContact O-N 2.94Å
387W96.6Very high97.4Very high31 Ų3124.7 Ų24.712%0.11713%0.132CC..THydrogen-bonded Turntrans63.6-4.5175.9-50.7108.7000116.9I331 V343 L366 W381 Q402 M403 Y408I331-W387 HydrophobicContact CB-CZ3 4.47Å; I331-W387 HydrophobicContact CD1-CH2 3.68Å; I331-W387 HydrophobicContact CD1-CZ3 4.04Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ3 3.96Å; I331-W387 HydrophobicContact CG2-CH2 4.35Å; I331-W387 HydrophobicContact CG2-CZ3 3.83Å; V343-W387 HydrophobicContact CG1-CZ3 4.46Å; L366-W387 HydrophobicContact CD2-CH2 4.16Å; L366-W387 HydrophobicContact CD2-CZ3 4.05Å; W381-W387 HydrophobicContact CH2-CE3 4.45Å; W381-W387 HydrophobicContact CZ3-CE3 4.25Å; W387-Q402 HydrophobicContact CB-CG 3.94Å; W387-M403 HydrophobicContact CD2-CE 4.37Å; W387-M403 HydrophobicContact CE3-CE 3.43Å; W387-M403 VanDerWaalsContact CE3-CE 3.43Å; W387-M403 HydrophobicContact CE3-SD 3.85Å; W387-M403 HydrophobicContact CZ3-CE 3.92Å; W387-M403 HydrophobicContact CZ3-SD 4.08Å; W387-Y408 HydrophobicContact CB-CE1 4.31Å; W387-Y408 AromaticContact CD1-CE1 3.89Å; W387-Y408 AromaticContact CD1-CE2 3.62Å; W387-Y408 AromaticContact CD1-CZ 3.44Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.44Å; W387-Y408 HydrophobicContact CD2-CD1 4.1Å; W387-Y408 HydrophobicContact CD2-CD2 4.33Å; W387-Y408 HydrophobicContact CD2-CE1 4.22Å; W387-Y408 HydrophobicContact CD2-CG 4.12Å; W387-Y408 AromaticContact CE2-CD2 3.55Å; W387-Y408 AromaticContact CE2-CE2 3.85Å; W387-Y408 AromaticContact CE2-CG 3.7Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE2 4.35Å; W387-Y408 AromaticContact CG-CZ 3.95Å; W387-Y408 HydrophobicContact CH2-CD2 4.49Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 AromaticContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CE2 4.4Å; W387-Y408 AromaticContact CZ2-CG 3.72Å; W387-Y408 HydrophobicContact CZ2-CG 3.72Å; W387-Y408 AromaticContact NE1-CD2 3.46Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CZ 3.63Å
388V97.5Very high97.3Very high2 Ų224.1 Ų24.11%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-80.8123174.2178.90000109.8L33 W48 I85 N382 E385 P386 I400 W401 Q402L33-V388 HydrophobicContact CD2-CG1 4.47Å; L33-V388 HydrophobicContact CD2-CG2 4.48Å; W48-V388 HydrophobicContact CZ2-CG1 4.31Å; I85-V388 HydrophobicContact CD1-CG1 4.42Å; N382-V388 HydrophobicContact CB-CB 3.84Å; N382-V388 HydrophobicContact CB-CG1 3.99Å; N382-V388 VanDerWaalsContact CB-O 3.32Å; N382-V388 WeakPolarHBondContact CB-O 3.42Å; N382-V388 PolarHBondContact N-O 2.87Å; E385-V388 HydrophobicContact CB-CB 4.07Å; E385-V388 HydrophobicContact CB-CG2 3.65Å; E385-V388 PolarHBondContact O-N 3.37Å; P386-V388 PolarHBondContact O-N 2.94Å; V388-I400 HydrophobicContact CG1-CG2 3.81Å; V388-W401 WeakPolarHBondContact CA-O 3.41Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.3Å
389I98.6Very high97.2Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-120.4140.4178-60.3-177.2000109.4A333 L341 V343 F379 W381 I400 W401A333-I389 HydrophobicContact CB-CD1 4.5Å; L341-I389 HydrophobicContact CD1-CG2 4.07Å; L341-I389 HydrophobicContact CD2-CD1 4.23Å; V343-I389 HydrophobicContact CG2-CD1 4.35Å; F379-I389 HydrophobicContact CB-CG2 4.27Å; F379-I389 HydrophobicContact CD2-CG2 3.96Å; W381-I389 HydrophobicContact CD2-CD1 3.98Å; W381-I389 HydrophobicContact CD2-CG1 3.91Å; W381-I389 HydrophobicContact CE3-CD1 3.72Å; W381-I389 HydrophobicContact CE3-CG1 3.46Å; W381-I389 VanDerWaalsContact CE3-CG1 3.46Å; W381-I389 HydrophobicContact CH2-CD1 3.59Å; W381-I389 HydrophobicContact CH2-CG1 4.27Å; W381-I389 HydrophobicContact CZ2-CD1 3.86Å; W381-I389 HydrophobicContact CZ3-CD1 3.51Å; W381-I389 HydrophobicContact CZ3-CG1 3.67Å; I389-I400 CarbonylContact O-C 3.49Å; I389-I400 VanDerWaalsContact O-CA 3.28Å; I389-I400 WeakPolarHBondContact O-CA 3.44Å; I389-W401 HydrophobicContact CB-CD2 4.39Å; I389-W401 HydrophobicContact CB-CH2 4.39Å; I389-W401 HydrophobicContact CB-CZ2 3.93Å; I389-W401 HydrophobicContact CD1-CH2 3.65Å; I389-W401 HydrophobicContact CD1-CZ2 3.84Å; I389-W401 HydrophobicContact CD1-CZ3 4.3Å; I389-W401 HydrophobicContact CG1-CH2 4.41Å; I389-W401 HydrophobicContact CG1-CZ2 4.4Å; I389-W401 HydrophobicContact CG2-CZ2 4Å; I389-W401 PolarHBondContact N-O 3.32Å; I389-W401 PolarHBondContact O-N 3.37Å
390C98.5Very high97.1Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-106.4134.7164.2-172.40000109.2V46 W48 L65 F379 S380 M398 Q399 I400V46-C390 HydrophobicContact CG2-CB 4.24Å; W48-C390 HydrophobicContact CZ2-CB 3.71Å; W48-C390 VanDerWaalsContact NE1-CB 3.32Å; L65-C390 HydrophobicContact CD2-CB 4.15Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.21Å; F379-C390 WeakPolarHBondContact CB-O 3.49Å; S380-C390 PolarHBondContact N-O 2.89Å; S380-C390 PolarHBondContact O-N 2.87Å; C390-M398 VanDerWaalsContact SG-SD 3.7Å; C390-Q399 CarbonylContact C-O 3.46Å; C390-Q399 WeakPolarHBondContact CA-O 3.21Å; C390-I400 HydrophobicContact CB-CG1 3.97Å
391S98.7Very high97Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-135.2142.417951.70000110.2H372 M398 Q399 W401H372-S391 PolarHBondContact NE2-OG 2.95Å; S391-M398 CarbonylContact O-C 3.54Å; S391-M398 WeakPolarHBondContact O-CA 3.48Å; S391-Q399 PolarHBondContact N-O 3.45Å; S391-Q399 PolarHBondContact O-N 3.1Å; S391-Q399 PolarHBondContact OG-O 3.03Å; S391-W401 PolarHBondContact OG-NE1 2.93Å
392V98.4Very high96.9Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-125142.1179.1-67.90000110.5L39 S43 V46 L67 I376 S377 D378 I397 M398L39-V392 HydrophobicContact CD1-CG1 4.47Å; S43-V392 WeakPolarHBondContact O-CG2 3.2Å; V46-V392 HydrophobicContact CB-CG1 3.99Å; V46-V392 HydrophobicContact CB-CG2 4Å; V46-V392 HydrophobicContact CG1-CG1 4.27Å; V46-V392 HydrophobicContact CG1-CG2 3.86Å; V46-V392 HydrophobicContact CG2-CG1 4.34Å; L67-V392 HydrophobicContact CD2-CG1 3.94Å; I376-V392 CarbonylContact C-O 3.57Å; S377-V392 PolarHBondContact N-O 3.4Å; D378-V392 HydrophobicContact CB-CG2 4.03Å; D378-V392 WeakPolarHBondContact O-CG2 3.33Å; D378-V392 PolarHBondContact O-N 2.86Å; V392-I397 WeakPolarHBondContact CA-O 3.47Å; V392-M398 HydrophobicContact CG1-CB 4.03Å; V392-M398 HydrophobicContact CG1-CG 3.73Å; V392-M398 HydrophobicContact CG1-SD 4.23Å
393S97.9Very high96.8Very high1 Ų124.8 Ų24.81%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-124165.6-177.853.90000113.1H372 K375 D395 N396 I397H372-S393 WeakPolarHBondContact ND1-CB 3.37Å; H372-S393 PolarHBondContact ND1-OG 3.08Å; H372-S393 VanDerWaalsContact ND1-OG 3.17Å; K375-S393 WeakPolarHBondContact O-CA 3.37Å; K375-S393 WeakPolarHBondContact O-CB 3.18Å; S393-D395 VanDerWaalsContact CB-OD1 3.32Å; S393-D395 WeakPolarHBondContact CB-OD1 3.44Å; S393-D395 PolarHBondContact O-N 2.81Å; S393-D395 PolarHBondContact OG-OD1 2.83Å; S393-N396 PolarHBondContact O-N 3.13Å; S393-I397 PolarHBondContact N-O 3.39Å; S393-I397 PolarHBondContact OG-O 2.9Å
394E96.2Very high96.6Very high92 Ų9223 Ų2343%0.4312%0.118SC..THydrogen-bonded Turntrans-66-20.2179.7-68.5-175169.200114.4A374 K375 N396A374-E394 HydrophobicContact CB-CB 4.33Å; K375-E394 HydrophobicContact CB-CG 4.22Å; K375-E394 PolarHBondContact O-N 2.83Å; K375-E394 VanDerWaalsContact O-N 3.09Å; E394-N396 PolarHBondContact O-N 3.15Å; E394-N396 PolarHBondContact O-OD1 3.47Å
395D95Very high96.4Very high48 Ų4824.8 Ų24.826%0.25712%0.124SC..THydrogen-bonded Turntrans-88.722.3177.661.3-1.1000113.6T373 A374 S393 I397T373-D395 PolarHBondContact OG1-OD2 3.02Å; A374-D395 HydrophobicContact CB-CB 3.64Å; A374-D395 VanDerWaalsContact CB-CG 3.44Å; A374-D395 WeakPolarHBondContact CB-OD2 3.45Å; A374-D395 PolarHBondContact N-OD2 2.94Å; S393-D395 VanDerWaalsContact CB-OD1 3.32Å; S393-D395 WeakPolarHBondContact CB-OD1 3.44Å; S393-D395 PolarHBondContact O-N 2.81Å; S393-D395 PolarHBondContact OG-OD1 2.83Å; D395-I397 PolarHBondContact O-N 2.87Å
396N95.4Very high96.2Very high44 Ų4428 Ų2824%0.23514%0.143CC..SBendtrans6813.7178.3-47.78.1000114.2L39 Q40 P42 S393 E394L39-N396 HydrophobicContact CB-CB 4.46Å; L39-N396 WeakPolarHBondContact CB-O 3.46Å; L39-N396 PolarHBondContact N-O 2.92Å; L39-N396 WeakPolarHBondContact O-CB 3.37Å; Q40-N396 PolarHBondContact O-ND2 2.86Å; P42-N396 WeakPolarHBondContact CB-OD1 3.46Å; P42-N396 WeakPolarHBondContact CD-OD1 3.36Å; S393-N396 PolarHBondContact O-N 3.13Å; E394-N396 PolarHBondContact O-N 3.15Å; E394-N396 PolarHBondContact O-OD1 3.47Å
397I96.7Very high96Very high36 Ų3627.1 Ų27.119%0.18514%0.135CC..EExtended strand (participates in β ladder)trans-90.8129.4179.7-58.3-57.5000110.2T36 A38 V392 S393 D395 Q399T36-I397 HydrophobicContact CG2-CG2 3.76Å; A38-I397 HydrophobicContact CB-CD1 4.2Å; V392-I397 WeakPolarHBondContact CA-O 3.47Å; S393-I397 PolarHBondContact N-O 3.39Å; S393-I397 PolarHBondContact OG-O 2.9Å; D395-I397 PolarHBondContact O-N 2.87Å; I397-Q399 HydrophobicContact CG2-CG 3.78Å
398M96.3Very high95.6Very high1 Ų127.9 Ų27.91%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-110131.3165.7-174.4177.174.800108.8H37 L39 L65 L67 I114 C390 S391 V392 I400H37-M398 HydrophobicContact CB-CE 4.43Å; H37-M398 PolarHBondContact N-O 2.74Å; H37-M398 PolarHBondContact O-N 3.26Å; L39-M398 HydrophobicContact CD1-CB 4.1Å; L39-M398 HydrophobicContact CD2-CB 4.46Å; L39-M398 HydrophobicContact CG-CB 4.13Å; L65-M398 HydrophobicContact CD1-CE 4.04Å; L65-M398 HydrophobicContact CD1-SD 3.83Å; L67-M398 HydrophobicContact CD1-SD 3.95Å; L67-M398 HydrophobicContact CD2-SD 4.03Å; I114-M398 HydrophobicContact CB-CE 4.27Å; I114-M398 HydrophobicContact CD1-CE 3.29Å; I114-M398 HydrophobicContact CG1-CE 3.68Å; I114-M398 HydrophobicContact CG2-CE 3.83Å; C390-M398 VanDerWaalsContact SG-SD 3.7Å; S391-M398 CarbonylContact O-C 3.54Å; S391-M398 WeakPolarHBondContact O-CA 3.48Å; V392-M398 HydrophobicContact CG1-CB 4.03Å; V392-M398 HydrophobicContact CG1-CG 3.73Å; V392-M398 HydrophobicContact CG1-SD 4.23Å; M398-I400 HydrophobicContact CE-CD1 4.26Å
399Q96.7Very high95Very high1 Ų130.4 Ų30.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-122.8131.1175.5-59.4-16912.300110.7M35 T36 H369 G371 C390 S391 I397M35-Q399 VanDerWaalsContact O-CA 3.27Å; M35-Q399 WeakPolarHBondContact O-CA 3.17Å; T36-Q399 HydrophobicContact CG2-CG 4.3Å; H369-Q399 PolarHBondContact CE1-OE1 3.32Å; H369-Q399 PolarHBondContact NE2-OE1 2.83Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.14Å; G371-Q399 VanDerWaalsContact C-NE2 3.35Å; G371-Q399 PolarHBondContact O-NE2 3.22Å; C390-Q399 CarbonylContact C-O 3.46Å; C390-Q399 WeakPolarHBondContact CA-O 3.21Å; S391-Q399 PolarHBondContact N-O 3.45Å; S391-Q399 PolarHBondContact O-N 3.1Å; S391-Q399 PolarHBondContact OG-O 3.03Å; I397-Q399 HydrophobicContact CG2-CG 3.78Å
400I97.4Very high93.4Very high1 Ų135.4 Ų35.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-112.2124168.9-62.7160.8000106.8L33 V34 M35 W48 L65 V83 I114 V388 I389 C390 M398L33-I400 HydrophobicContact CD2-CG2 4.25Å; V34-I400 CarbonylContact C-O 3.59Å; V34-I400 WeakPolarHBondContact CA-O 3.09Å; M35-I400 HydrophobicContact CB-CB 4.26Å; M35-I400 HydrophobicContact CE-CD1 4.18Å; M35-I400 PolarHBondContact N-O 3.35Å; M35-I400 PolarHBondContact O-N 2.87Å; W48-I400 HydrophobicContact CH2-CD1 3.79Å; W48-I400 HydrophobicContact CH2-CG1 4.19Å; W48-I400 HydrophobicContact CH2-CG2 4.22Å; W48-I400 HydrophobicContact CZ2-CD1 4.11Å; W48-I400 HydrophobicContact CZ2-CG1 3.99Å; W48-I400 HydrophobicContact CZ2-CG2 3.89Å; L65-I400 HydrophobicContact CD1-CD1 4.26Å; V83-I400 HydrophobicContact CB-CD1 4.38Å; V83-I400 HydrophobicContact CG1-CD1 3.49Å; V83-I400 VanDerWaalsContact CG1-CD1 3.49Å; V83-I400 HydrophobicContact CG2-CD1 4Å; I114-I400 HydrophobicContact CD1-CD1 4.28Å; I114-I400 HydrophobicContact CG1-CD1 4.47Å; V388-I400 HydrophobicContact CG1-CG2 3.81Å; I389-I400 CarbonylContact O-C 3.49Å; I389-I400 VanDerWaalsContact O-CA 3.28Å; I389-I400 WeakPolarHBondContact O-CA 3.44Å; C390-I400 HydrophobicContact CB-CG1 3.97Å; M398-I400 HydrophobicContact CE-CD1 4.26Å
401W96.3Very high91.3Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-149.3157.1-171.456.8-89.8000112.3Y31 L33 V34 L341 V343 F367 H369 V388 I389 S391 M403Y31-W401 HydrophobicContact CD1-CB 4.09Å; Y31-W401 HydrophobicContact CD1-CE3 4.07Å; Y31-W401 HydrophobicContact CE1-CB 4.26Å; Y31-W401 HydrophobicContact CE1-CD2 4.14Å; Y31-W401 AromaticContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CE3 3.73Å; Y31-W401 HydrophobicContact CE1-CG 4.39Å; Y31-W401 HydrophobicContact CE1-CZ3 4.4Å; L33-W401 CarbonylContact O-C 3.47Å; L33-W401 WeakPolarHBondContact O-CA 3.18Å; L33-W401 WeakPolarHBondContact O-CB 3.31Å; V34-W401 HydrophobicContact CG2-CB 4.23Å; L341-W401 HydrophobicContact CB-CZ2 4.47Å; L341-W401 HydrophobicContact CD1-CZ2 3.98Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.63Å; L341-W401 HydrophobicContact CG-CZ2 4.23Å; V343-W401 HydrophobicContact CG2-CH2 4.09Å; F367-W401 HydrophobicContact CD1-CH2 4.32Å; F367-W401 AromaticContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CD1-CZ3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 4.4Å; F367-W401 HydrophobicContact CE1-CH2 4.42Å; F367-W401 AromaticContact CE1-CZ3 3.86Å; F367-W401 HydrophobicContact CE1-CZ3 3.86Å; H369-W401 HydrophobicContact CB-CD2 4.45Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.46Å; H369-W401 VanDerWaalsContact CB-CZ2 3.46Å; H369-W401 HydrophobicContact CB-CZ3 4.19Å; H369-W401 AromaticContact CD2-CE2 3.77Å; H369-W401 AromaticContact CD2-CZ2 3.99Å; H369-W401 AromaticContact CD2-NE1 3.54Å; H369-W401 AromaticContact CE1-CD1 3.57Å; H369-W401 AromaticContact CE1-CG 3.87Å; H369-W401 AromaticContact CE1-NE1 3.65Å; H369-W401 AromaticContact CG-CE2 3.49Å; H369-W401 VanDerWaalsContact CG-CE2 3.49Å; H369-W401 AromaticContact CG-CZ2 3.59Å; H369-W401 AromaticContact CG-NE1 3.71Å; H369-W401 AromaticContact ND1-CD1 3.94Å; H369-W401 AromaticContact ND1-CD2 3.73Å; H369-W401 AromaticContact ND1-CE2 3.68Å; H369-W401 AromaticContact ND1-CG 3.91Å; H369-W401 AromaticContact ND1-NE1 3.79Å; H369-W401 AromaticContact NE2-CD1 3.78Å; H369-W401 AromaticContact NE2-NE1 3.52Å; V388-W401 WeakPolarHBondContact CA-O 3.41Å; I389-W401 HydrophobicContact CB-CD2 4.39Å; I389-W401 HydrophobicContact CB-CH2 4.39Å; I389-W401 HydrophobicContact CB-CZ2 3.93Å; I389-W401 HydrophobicContact CD1-CH2 3.65Å; I389-W401 HydrophobicContact CD1-CZ2 3.84Å; I389-W401 HydrophobicContact CD1-CZ3 4.3Å; I389-W401 HydrophobicContact CG1-CH2 4.41Å; I389-W401 HydrophobicContact CG1-CZ2 4.4Å; I389-W401 HydrophobicContact CG2-CZ2 4Å; I389-W401 PolarHBondContact N-O 3.32Å; I389-W401 PolarHBondContact O-N 3.37Å; S391-W401 PolarHBondContact OG-NE1 2.93Å; W401-M403 HydrophobicContact CZ3-CE 4.44Å
402Q96Very high88.7Confident44 Ų4450.7 Ų50.721%0.20625%0.25CC..EExtended strand (participates in β ladder)trans-135.6126.1174.9-173.7-178.4-17.400107.1Y31 D32 L33 W387 V388Y31-Q402 CarbonylContact C-O 3.56Å; Y31-Q402 WeakPolarHBondContact CA-O 3.36Å; Y31-Q402 WeakPolarHBondContact CB-O 3.08Å; D32-Q402 PolarHBondContact N-O 3.24Å; L33-Q402 HydrophobicContact CB-CB 3.75Å; L33-Q402 PolarHBondContact N-O 2.93Å; L33-Q402 PolarHBondContact O-N 3.21Å; W387-Q402 HydrophobicContact CB-CG 3.94Å; V388-Q402 HydrophobicContact CG2-CB 4.17Å; V388-Q402 HydrophobicContact CG2-CG 4.3Å
403M95.2Very high86Confident0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-63.6152.8174.671.1-168.178.700110.2V343 L366 F367 W387 W401 I407 Y408V343-M403 HydrophobicContact CB-CE 4.31Å; V343-M403 HydrophobicContact CG1-CE 4.09Å; V343-M403 HydrophobicContact CG2-CE 3.89Å; L366-M403 HydrophobicContact CD2-SD 4.29Å; F367-M403 HydrophobicContact CB-SD 4.45Å; F367-M403 HydrophobicContact CD1-CB 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.36Å; F367-M403 HydrophobicContact CE1-CB 4.28Å; F367-M403 HydrophobicContact CE2-CB 4.38Å; F367-M403 HydrophobicContact CG-CB 4.28Å; F367-M403 HydrophobicContact CZ-CB 4.33Å; W387-M403 HydrophobicContact CD2-CE 4.37Å; W387-M403 HydrophobicContact CE3-CE 3.43Å; W387-M403 VanDerWaalsContact CE3-CE 3.43Å; W387-M403 HydrophobicContact CE3-SD 3.85Å; W387-M403 HydrophobicContact CZ3-CE 3.92Å; W387-M403 HydrophobicContact CZ3-SD 4.08Å; W401-M403 HydrophobicContact CZ3-CE 4.44Å; M403-I407 HydrophobicContact CB-CD1 4.45Å; M403-Y408 HydrophobicContact CG-CD1 3.4Å; M403-Y408 HydrophobicContact CG-CE1 3.66Å; M403-Y408 HydrophobicContact SD-CD1 3.6Å; M403-Y408 VanDerWaalsContact SD-CD1 3.6Å; M403-Y408 HydrophobicContact SD-CE1 4.37Å; M403-Y408 HydrophobicContact SD-CG 4.36Å
404A93.7Very high83Confident5 Ų561.9 Ų61.94%0.04132%0.317CS..  trans-63.5140.8179.800000111.8L30 D32 N406 I407L30-A404 PolarHBondContact O-N 3.44Å; D32-A404 WeakPolarHBondContact OD2-CA 3.34Å; A404-N406 WeakPolarHBondContact CB-OD1 3.37Å; A404-N406 PolarHBondContact O-N 3.48Å; A404-N406 VanDerWaalsContact O-N 3.17Å; A404-I407 HydrophobicContact CB-CD1 4.08Å; A404-I407 HydrophobicContact CB-CG1 4.25Å; A404-I407 VanDerWaalsContact O-CB 3.29Å; A404-I407 WeakPolarHBondContact O-CB 3.27Å; A404-I407 WeakPolarHBondContact O-CG1 3.45Å; A404-I407 PolarHBondContact O-N 3.07Å
405E92.2Very high80.2Confident103 Ų10361.5 Ų61.548%0.48132%0.321SS..Hα-helixtrans-54.1-38.4-174.6-172.5179.1178.500113.7D32 I407 Y408 N409D32-E405 PolarHBondContact OD2-N 3.37Å; E405-I407 PolarHBondContact O-N 3.15Å; E405-I407 VanDerWaalsContact O-N 3.09Å; E405-Y408 HydrophobicContact CG-CE2 4.12Å; E405-Y408 PolarHBondContact O-N 2.68Å; E405-N409 HydrophobicContact CG-CB 4.01Å; E405-N409 WeakPolarHBondContact O-CB 3.21Å; E405-N409 PolarHBondContact O-N 3.16Å; E405-N409 PolarHBondContact OE1-ND2 3.43Å
406N91.3Very high77.2Confident124 Ų12462.6 Ų62.666%0.66333%0.329SS*.Hα-helixtrans-66.9-7.9179.669.2-42.5000114.6A404A404-N406 WeakPolarHBondContact CB-OD1 3.37Å; A404-N406 PolarHBondContact O-N 3.48Å; A404-N406 VanDerWaalsContact O-N 3.17Å
407I90.8Very high74.6Confident37 Ų3765.8 Ų65.819%0.1935%0.351CS..Hα-helixtrans-84.2-37.3178.3-61.3178.9000110.9L30 L366 F367 M403 A404 E405L30-I407 HydrophobicContact CD2-CD1 4.44Å; L366-I407 WeakPolarHBondContact CD1-O 3.48Å; L366-I407 HydrophobicContact CG-CG2 4.42Å; F367-I407 HydrophobicContact CB-CG2 4.46Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.09Å; F367-I407 HydrophobicContact CE2-CD1 3.55Å; M403-I407 HydrophobicContact CB-CD1 4.45Å; A404-I407 HydrophobicContact CB-CD1 4.08Å; A404-I407 HydrophobicContact CB-CG1 4.25Å; A404-I407 VanDerWaalsContact O-CB 3.29Å; A404-I407 WeakPolarHBondContact O-CB 3.27Å; A404-I407 WeakPolarHBondContact O-CG1 3.45Å; A404-I407 PolarHBondContact O-N 3.07Å; E405-I407 PolarHBondContact O-N 3.15Å; E405-I407 VanDerWaalsContact O-N 3.09Å
408Y89.1Confident71.9Confident46 Ų4668.2 Ų68.218%0.1837%0.371CS..Hα-helixtrans-111.3-17.4-175.860.2-99.5000114.1W387 M403 E405 D410W387-Y408 HydrophobicContact CB-CE1 4.31Å; W387-Y408 AromaticContact CD1-CE1 3.89Å; W387-Y408 AromaticContact CD1-CE2 3.62Å; W387-Y408 AromaticContact CD1-CZ 3.44Å; W387-Y408 VanDerWaalsContact CD1-CZ 3.44Å; W387-Y408 HydrophobicContact CD2-CD1 4.1Å; W387-Y408 HydrophobicContact CD2-CD2 4.33Å; W387-Y408 HydrophobicContact CD2-CE1 4.22Å; W387-Y408 HydrophobicContact CD2-CG 4.12Å; W387-Y408 AromaticContact CE2-CD2 3.55Å; W387-Y408 AromaticContact CE2-CE2 3.85Å; W387-Y408 AromaticContact CE2-CG 3.7Å; W387-Y408 HydrophobicContact CG-CD1 4.28Å; W387-Y408 AromaticContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE1 3.91Å; W387-Y408 HydrophobicContact CG-CE2 4.35Å; W387-Y408 AromaticContact CG-CZ 3.95Å; W387-Y408 HydrophobicContact CH2-CD2 4.49Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 AromaticContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CD2 3.66Å; W387-Y408 HydrophobicContact CZ2-CE2 4.4Å; W387-Y408 AromaticContact CZ2-CG 3.72Å; W387-Y408 HydrophobicContact CZ2-CG 3.72Å; W387-Y408 AromaticContact NE1-CD2 3.46Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CZ 3.63Å; M403-Y408 HydrophobicContact CG-CD1 3.4Å; M403-Y408 HydrophobicContact CG-CE1 3.66Å; M403-Y408 HydrophobicContact SD-CD1 3.6Å; M403-Y408 VanDerWaalsContact SD-CD1 3.6Å; M403-Y408 HydrophobicContact SD-CE1 4.37Å; M403-Y408 HydrophobicContact SD-CG 4.36Å; E405-Y408 HydrophobicContact CG-CE2 4.12Å; E405-Y408 PolarHBondContact O-N 2.68Å; Y408-D410 PolarHBondContact O-N 3.35Å
409N84.4Confident69.4Low55 Ų5575.4 Ų75.429%0.29440%0.404SS..  trans-91.491.9178.8-160.14.2000109E405 E411E405-N409 HydrophobicContact CG-CB 4.01Å; E405-N409 WeakPolarHBondContact O-CB 3.21Å; E405-N409 PolarHBondContact O-N 3.16Å; E405-N409 PolarHBondContact OE1-ND2 3.43Å; N409-E411 PolarHBondContact O-N 3.11Å
410D65.4Low66.9Low105 Ų10582.2 Ų82.256%0.56144%0.44SS*.  trans-74.637.1169.6-69.5-25.6000111.2K348 Y408 E412K348-D410 IonicContact NZ-OD1 2.61Å; K348-D410 IonicContact NZ-OD2 2.84Å; K348-D410 PolarHBondContact NZ-OD2 3.33Å; Y408-D410 PolarHBondContact O-N 3.35Å; D410-E412 PolarHBondContact O-N 3.29Å
411E53.2Low64.3Low156 Ų15690.8 Ų90.873%0.72948%0.48SS*.  trans-60.791156.3-83.9-172.7-170.500105.1N409 S413N409-E411 PolarHBondContact O-N 3.11Å; E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.95Å
412E45.3Very low61.7Low165 Ų16593.7 Ų93.777%0.77151%0.51SS*.  trans-39.4110.2160.9-76.7-176.1165.200103.1D410 D414D410-E412 PolarHBondContact O-N 3.29Å; E412-D414 PolarHBondContact O-N 3.14Å
413S41.3Very low59Low95 Ų95100.8 Ų100.866%0.66454%0.543SS*.  trans-48.9108.9160.454.20000102.4E411 V415E411-S413 VanDerWaalsContact C-N 3.31Å; E411-S413 PolarHBondContact O-N 2.95Å; S413-V415 PolarHBondContact O-N 2.9Å
414D35.3Very low56.6Low142 Ų142104.4 Ų104.476%0.75958%0.581SS**  trans-62.563.6166.8-103.8-28.8000104.7E412 T416E412-D414 PolarHBondContact O-N 3.14Å; D414-T416 HydrophobicContact CB-CG2 4.49Å; D414-T416 PolarHBondContact O-N 2.93Å
415V37.4Very low54.1Low83 Ų83113.2 Ų113.250%0.50364%0.642SS.*  trans-68.474.3148.9-1750000102.1S413 T417S413-V415 PolarHBondContact O-N 2.9Å; V415-T417 PolarHBondContact O-N 3.32Å
416T32.6Very low52.2Low71 Ų71113.8 Ų113.844%0.43665%0.65SS.*  trans-37.4122.2166.348.60000106.1D414 S418 E419D414-T416 HydrophobicContact CB-CG2 4.49Å; D414-T416 PolarHBondContact O-N 2.93Å; T416-S418 WeakPolarHBondContact CB-OG 3.39Å; T416-S418 PolarHBondContact O-N 3.11Å; T416-S418 PolarHBondContact OG1-OG 3.49Å; T416-E419 PolarHBondContact O-N 3.04Å
417T40.7Very low50.1Low112 Ų112113.2 Ų113.269%0.68765%0.649SS**THydrogen-bonded Turntrans-53.7-4.3176.624.10000112.7V415 E419 L420 E421V415-T417 PolarHBondContact O-N 3.32Å; T417-E419 VanDerWaalsContact C-N 3.28Å; T417-E419 PolarHBondContact O-N 3.05Å; T417-L420 PolarHBondContact O-N 3.48Å; T417-E421 PolarHBondContact O-N 3.08Å
418S40.2Very low47.9Very low86 Ų86117.4 Ų117.460%0.60168%0.675SS**THydrogen-bonded Turntrans-61.6-19.7162.843.90000116.2T416T416-S418 WeakPolarHBondContact CB-OG 3.39Å; T416-S418 PolarHBondContact O-N 3.11Å; T416-S418 PolarHBondContact OG1-OG 3.49Å
419E43.3Very low45.4Very low153 Ų153121.6 Ų121.672%0.71570%0.704SS**THydrogen-bonded Turntrans-85.3-20.6172.3-70.5-161154.600113.5T416 T417T416-E419 PolarHBondContact O-N 3.04Å; T417-E419 VanDerWaalsContact C-N 3.28Å; T417-E419 PolarHBondContact O-N 3.05Å
420L43.1Very low43Very low143 Ų143125.8 Ų125.875%0.74973%0.73SS**G310 helixtrans-84.1-21.2176.5-75.1167.9000113.6T417 G422T417-L420 PolarHBondContact O-N 3.48Å; L420-G422 VanDerWaalsContact C-N 3.32Å
421E43Very low41.5Very low181 Ų181127.2 Ų127.285%0.84674%0.741SS**G310 helixtrans-86.93.4171.9-68.7-164.8158.200113.9T417T417-E421 PolarHBondContact O-N 3.08Å
422G42.9Very low40.7Very low62 Ų62125.1 Ų125.164%0.63974%0.742SS**G310 helixtrans-81.3-8.3-179.800000116.3L420L420-G422 VanDerWaalsContact C-N 3.32Å
423Q39.3Very low40.3Very low193 Ų193122.1 Ų122.190%0.90274%0.739SS**SBendtrans-130.957.1-175.8-65-171.620.500112.6
424G43.1Very low40.2Very low76 Ų76124.3 Ų124.378%0.78475%0.746SS**  trans-13464.6165.200000110.6
425S42Very low40.7Very low190 Ų190122.7 Ų122.7100%1.32975%0.745SS**  trans-93.10169.569.90000111.8

Retrieved 425 of 425 residues in 100.8 ms (Link to these results)

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