A0A087WNN3_MOUSE Loading...

Inhibitor of Bruton agammaglobulinemia tyrosine kinase

Acts as an inhibitor of BTK tyrosine kinase activity, thereby playing a role in B-cell development. Down-regulates BTK kinase activity, leading to interference with BTK-mediated calcium mobilization and NF-kappa-B-driven transcription.

AlphaFold DB , UniProt , Accession A0A087WNN3, Species MOUSE (Mus musculus, Mouse), Gene Ibtk, Length 495 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
1M38.6Very low67.4Low241 Ų241106.8 Ų106.8100%1.18762%0.615SS**  0114.40-74.8-177.5-174.400107
2D42.6Very low69Low159 Ų15999.3 Ų99.385%0.8557%0.574SS**  trans-56.7134.7-159.2-58.2-59.4000114.4A4D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 3.34Å
3A47.9Very low70.3Confident99 Ų99109.8 Ų109.882%0.81860%0.598SS**  trans-66.392.9169.400000108.3T5A3-T5 PolarHBondContact O-N 3.31Å
4A59.9Low71.9Confident40 Ų40105.1 Ų105.133%0.33158%0.577SS.*  trans-55.4113.8176.600000109.3D2 R39D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 PolarHBondContact O-N 3.34Å; A4-R39 HydrophobicContact CB-CG 4.37Å
5T64.8Low73.2Confident119 Ų119103.9 Ų103.973%0.7357%0.569SS**  trans-66135.3175.148.60000109A3A3-T5 PolarHBondContact O-N 3.31Å
6P75.2Confident74.4Confident38 Ų38106.4 Ų106.425%0.24757%0.572CS.*  trans-57149.3179.3-2332000112.9C8 R39 Y42P6-C8 PolarHBondContact O-N 3.37Å; P6-R39 VanDerWaalsContact CA-O 3.31Å; P6-R39 WeakPolarHBondContact CA-O 3.27Å; P6-Y42 HydrophobicContact CG-CD2 4.2Å
7D74.3Confident75.5Confident118 Ų118101.7 Ų101.763%0.63155%0.546SS*.SBendtrans-65.55.9178.5-64-22.1000113.5
8C85.9Confident76.5Confident25 Ų2596.1 Ų96.117%0.16952%0.516CS..SBendtrans-151.8170.5-179.769.70000112.7P6 C12 Y42P6-C8 PolarHBondContact O-N 3.37Å; C8-C12 HydrophobicContact CB-CB 3.86Å; C8-C12 WeakPolarHBondContact SG-CB 3.43Å; C8-C12 VanDerWaalsContact SG-SG 3.65Å; C8-Y42 PolarHBondContact SG-N 3.12Å
9T86.8Confident77.4Confident96 Ų9695.8 Ų95.859%0.58951%0.514SS*.  trans-90.4173.3178.769.20000113.1K11 C12T9-K11 PolarHBondContact O-N 3.29Å; T9-K11 PolarHBondContact OG1-N 3.06Å; T9-C12 WeakPolarHBondContact O-CB 3.42Å; T9-C12 PolarHBondContact O-N 3.48Å
10S82.7Confident78.2Confident66 Ų6693.6 Ų93.646%0.46250%0.502SS..THydrogen-bonded Turntrans-61.2-5.8173.561.10000115.6N43S10-N43 PolarHBondContact O-ND2 3.29Å; S10-N43 PolarHBondContact O-OD1 3.12Å
11K83Confident78.9Confident174 Ų17489.1 Ų89.176%0.75748%0.478SS*.THydrogen-bonded Turntrans-106.112.4175.6-63.4-176.7-178.81770113.1T9 R13T9-K11 PolarHBondContact O-N 3.29Å; T9-K11 PolarHBondContact OG1-N 3.06Å; K11-R13 PolarHBondContact O-N 3.17Å
12C86.3Confident81.6Confident17 Ų1778.1 Ų78.112%0.11542%0.424CS..  trans-56.1129.5-177.6-174.40000112.5C8 T9 N43C8-C12 HydrophobicContact CB-CB 3.86Å; C8-C12 WeakPolarHBondContact SG-CB 3.43Å; C8-C12 VanDerWaalsContact SG-SG 3.65Å; T9-C12 WeakPolarHBondContact O-CB 3.42Å; T9-C12 PolarHBondContact O-N 3.48Å; C12-N43 PolarHBondContact O-ND2 3.02Å
13R85.4Confident84Confident236 Ų23673.3 Ų73.389%0.89140%0.402SS*.  trans-132.121.4173.7-62.7-177.3-179.1-170.6-0.2111.7K11 L15K11-R13 PolarHBondContact O-N 3.17Å; R13-L15 PolarHBondContact O-N 3.43Å
14S92.8Very high86.2Confident43 Ų4370.3 Ų70.330%0.30137%0.374SS..  trans-65.6121.9-176.3174.20000110.6K16 H17 A18S14-K16 VanDerWaalsContact C-N 3.25Å; S14-K16 PolarHBondContact O-N 3.27Å; S14-K16 PolarHBondContact OG-N 2.96Å; S14-H17 PolarHBondContact O-N 3.24Å; S14-H17 PolarHBondContact OG-CD2 2.77Å; S14-H17 PolarHBondContact OG-N 3.45Å; S14-A18 PolarHBondContact O-N 3.19Å
15L92.1Very high87.9Confident87 Ų8768.4 Ų68.446%0.45536%0.358SS..Hα-helixtrans-63.6-35.3175.4-177.663.1000111.2R13 A18 L19 A50R13-L15 PolarHBondContact O-N 3.43Å; L15-A18 VanDerWaalsContact O-CB 3.31Å; L15-A18 WeakPolarHBondContact O-CB 3.46Å; L15-A18 PolarHBondContact O-N 3.36Å; L15-L19 HydrophobicContact CG-CD1 4.39Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.03Å; L15-A50 HydrophobicContact CD1-CB 4.26Å
16K92.9Very high89.2Confident144 Ų14465.4 Ų65.463%0.62634%0.34SS*.Hα-helixtrans-61.5-47.9175.3-176.2175-180-179.70111S14 A18 L19 D20S14-K16 VanDerWaalsContact C-N 3.25Å; S14-K16 PolarHBondContact O-N 3.27Å; S14-K16 PolarHBondContact OG-N 2.96Å; K16-A18 PolarHBondContact O-N 3.24Å; K16-L19 PolarHBondContact O-N 3.28Å; K16-L19 VanDerWaalsContact O-N 3.15Å; K16-D20 PolarHBondContact O-N 2.8Å
17H93.1Very high89.9Confident27 Ų2772.1 Ų72.113%0.12537%0.365CS..Hα-helixtrans-61.8-36.7177-69.6-157.3000111.5S14 V21 Y40S14-H17 PolarHBondContact O-N 3.24Å; S14-H17 PolarHBondContact OG-CD2 2.77Å; S14-H17 PolarHBondContact OG-N 3.45Å; H17-V21 VanDerWaalsContact O-CB 3.32Å; H17-V21 WeakPolarHBondContact O-CB 3.36Å; H17-V21 WeakPolarHBondContact O-CG2 3.19Å; H17-V21 PolarHBondContact O-N 2.96Å; H17-Y40 HydrophobicContact CB-CE1 4.26Å
18A92.7Very high90.7Very high0 Ų067.2 Ų67.20%034%0.343CS..Hα-helixtrans-59.2-52.717400000111.4S14 L15 K16 D20 V21 L22 V47 K48 D49S14-A18 PolarHBondContact O-N 3.19Å; L15-A18 VanDerWaalsContact O-CB 3.31Å; L15-A18 WeakPolarHBondContact O-CB 3.46Å; L15-A18 PolarHBondContact O-N 3.36Å; K16-A18 PolarHBondContact O-N 3.24Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-D20 PolarHBondContact O-N 3.48Å; A18-V21 PolarHBondContact O-N 3.06Å; A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.04Å; A18-L22 PolarHBondContact O-N 3.03Å; A18-V47 HydrophobicContact CB-CB 4.48Å; A18-V47 HydrophobicContact CB-CG1 4.27Å; A18-V47 HydrophobicContact CB-CG2 3.59Å; A18-K48 WeakPolarHBondContact CB-O 3.47Å; A18-D49 HydrophobicContact CB-CB 4.4Å
19L93.6Very high91Very high91 Ų9168.5 Ų68.548%0.47635%0.352SS..Hα-helixtrans-61-42.5-178.5-67.6172.7000112L15 K16 L22 S23 D49L15-L19 HydrophobicContact CG-CD1 4.39Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.03Å; K16-L19 PolarHBondContact O-N 3.28Å; K16-L19 VanDerWaalsContact O-N 3.15Å; L19-L22 PolarHBondContact O-N 3.44Å; L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.3Å; L19-D49 HydrophobicContact CD2-CB 4.43Å
20D93.9Very high91.3Very high52 Ų5268.4 Ų68.428%0.27835%0.345SS..Hα-helixtrans-66.3-45.2179.4-66.5-26.5000111.4K16 A18 L22 S23 V24 Y40K16-D20 PolarHBondContact O-N 2.8Å; A18-D20 VanDerWaalsContact C-N 3.34Å; A18-D20 PolarHBondContact O-N 3.48Å; D20-L22 PolarHBondContact O-N 3.04Å; D20-S23 PolarHBondContact O-N 3.05Å; D20-V24 WeakPolarHBondContact O-CG2 3.27Å; D20-V24 PolarHBondContact O-N 3.2Å; D20-Y40 HydrophobicContact CB-CE1 3.74Å; D20-Y40 PolarHBondContact OD2-OH 3.45Å
21V93.5Very high91.8Very high0 Ų069.3 Ų69.30%035%0.351CS..Hα-helixtrans-58.7-49.2174.3166.40000111H17 A18 S23 V24 V25 L37 Y40 C41 A44 V47 A55H17-V21 VanDerWaalsContact O-CB 3.32Å; H17-V21 WeakPolarHBondContact O-CB 3.36Å; H17-V21 WeakPolarHBondContact O-CG2 3.19Å; H17-V21 PolarHBondContact O-N 2.96Å; A18-V21 PolarHBondContact O-N 3.06Å; V21-S23 PolarHBondContact O-N 3.19Å; V21-V24 PolarHBondContact O-N 2.92Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.25Å; V21-V25 PolarHBondContact O-N 3.5Å; V21-V25 VanDerWaalsContact O-N 3.08Å; V21-L37 HydrophobicContact CG1-CD2 3.88Å; V21-L37 HydrophobicContact CG1-CG 4.03Å; V21-Y40 HydrophobicContact CG2-CD1 4.28Å; V21-C41 HydrophobicContact CG2-CB 4.35Å; V21-A44 HydrophobicContact CG2-CB 4.16Å; V21-V47 HydrophobicContact CB-CG1 4.33Å; V21-V47 HydrophobicContact CG1-CG1 4.37Å; V21-V47 HydrophobicContact CG2-CG1 4.42Å; V21-A55 HydrophobicContact CG1-CB 4.12Å
22L93.4Very high92.3Very high10 Ų1066.8 Ų66.85%0.05234%0.342CS..Hα-helixtrans-65-40.4-179.1-65.9-168.1000112A18 L19 D20 V25 T26 D49 R53 L58A18-L22 WeakPolarHBondContact O-CB 3.4Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.04Å; A18-L22 PolarHBondContact O-N 3.03Å; L19-L22 PolarHBondContact O-N 3.44Å; D20-L22 PolarHBondContact O-N 3.04Å; L22-V25 PolarHBondContact O-N 3.36Å; L22-T26 PolarHBondContact O-N 2.94Å; L22-T26 VanDerWaalsContact O-N 3.17Å; L22-D49 HydrophobicContact CD1-CB 3.61Å; L22-D49 WeakPolarHBondContact CD1-OD2 3.49Å; L22-R53 HydrophobicContact CD1-CB 4.26Å; L22-L58 HydrophobicContact CB-CG 4.28Å; L22-L58 HydrophobicContact CD1-CD2 3.94Å; L22-L58 HydrophobicContact CD1-CG 4.49Å; L22-L58 HydrophobicContact CD2-CB 4.47Å; L22-L58 HydrophobicContact CD2-CD2 3.75Å; L22-L58 HydrophobicContact CD2-CG 3.99Å; L22-L58 HydrophobicContact CG-CD2 4.29Å; L22-L58 HydrophobicContact CG-CG 4.47Å
23S93.7Very high92.7Very high57 Ų5766 Ų6640%0.39934%0.336SS..Hα-helixtrans-59-47.9176.5-1790000111.4L19 D20 V21 V25 T26 K27L19-S23 WeakPolarHBondContact O-CB 3.16Å; L19-S23 PolarHBondContact O-N 3.3Å; D20-S23 PolarHBondContact O-N 3.05Å; V21-S23 PolarHBondContact O-N 3.19Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 3.27Å; S23-T26 PolarHBondContact O-N 2.64Å; S23-T26 VanDerWaalsContact O-N 3.12Å; S23-T26 PolarHBondContact O-OG1 3.36Å; S23-K27 PolarHBondContact O-N 3Å
24V95.3Very high93.1Very high36 Ų3657.1 Ų57.122%0.21830%0.304CS..Hα-helixtrans-62-41.2177.8170.50000111.4D20 V21 T26 K27 G28 I33 F36D20-V24 WeakPolarHBondContact O-CG2 3.27Å; D20-V24 PolarHBondContact O-N 3.2Å; V21-V24 PolarHBondContact O-N 2.92Å; V24-T26 PolarHBondContact O-N 2.93Å; V24-K27 PolarHBondContact O-N 3.2Å; V24-G28 PolarHBondContact O-N 2.46Å; V24-I33 HydrophobicContact CG1-CG1 4.05Å; V24-F36 HydrophobicContact CB-CD1 4.01Å; V24-F36 HydrophobicContact CB-CE1 4.28Å; V24-F36 HydrophobicContact CG1-CB 4.08Å; V24-F36 HydrophobicContact CG1-CD1 3.92Å; V24-F36 HydrophobicContact CG1-CG 4.06Å; V24-F36 HydrophobicContact CG2-CD1 3.8Å; V24-F36 HydrophobicContact CG2-CD2 4.41Å; V24-F36 HydrophobicContact CG2-CE1 3.73Å; V24-F36 HydrophobicContact CG2-CE2 4.36Å; V24-F36 HydrophobicContact CG2-CG 4.15Å; V24-F36 HydrophobicContact CG2-CZ 4.03Å
25V94.3Very high93Very high0 Ų058.1 Ų58.10%031%0.312CS..Hα-helixtrans-60.4-32.7176.8174.20000111.8V21 L22 S23 I33 L37 A55 L58 A59 K64V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.25Å; V21-V25 PolarHBondContact O-N 3.5Å; V21-V25 VanDerWaalsContact O-N 3.08Å; L22-V25 PolarHBondContact O-N 3.36Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 3.27Å; V25-I33 HydrophobicContact CG2-CG2 3.98Å; V25-L37 HydrophobicContact CG2-CD1 4.1Å; V25-L37 HydrophobicContact CG2-CD2 4.48Å; V25-A55 HydrophobicContact CG2-CB 4.15Å; V25-L58 HydrophobicContact CB-CB 4.3Å; V25-L58 HydrophobicContact CG1-CB 3.75Å; V25-A59 HydrophobicContact CG1-CB 4.1Å; V25-K64 VanDerWaalsContact O-CD 3.28Å; V25-K64 WeakPolarHBondContact O-CD 3.38Å; V25-K64 WeakPolarHBondContact O-CE 3.17Å; V25-K64 PolarHBondContact O-NZ 2.97Å
26T92.1Very high93.1Very high57 Ų5757.2 Ų57.235%0.3530%0.304SS..Hα-helixtrans-72.5-39.5177.7620000113.3L22 S23 V24 L58 K64L22-T26 PolarHBondContact O-N 2.94Å; L22-T26 VanDerWaalsContact O-N 3.17Å; S23-T26 PolarHBondContact O-N 2.64Å; S23-T26 VanDerWaalsContact O-N 3.12Å; S23-T26 PolarHBondContact O-OG1 3.36Å; V24-T26 PolarHBondContact O-N 2.93Å; T26-L58 HydrophobicContact CG2-CD1 3.86Å; T26-L58 HydrophobicContact CG2-CG 4.49Å; T26-K64 VanDerWaalsContact C-NZ 3.34Å; T26-K64 PolarHBondContact O-NZ 3.02Å
27K90.4Very high93Very high179 Ų17950.4 Ų50.478%0.77828%0.275SS*.Hα-helixtrans-104.2-30.4-169.4-63.9-178.9-177.4-1800115.7S23 V24S23-K27 PolarHBondContact O-N 3Å; V24-K27 PolarHBondContact O-N 3.2Å
28G90.2Very high92.8Very high15 Ų1551.9 Ų51.916%0.15529%0.292CS..SBendtrans-74.6161.2-170.800000114.5V24 I33 K64V24-G28 PolarHBondContact O-N 2.46Å; G28-I33 WeakPolarHBondContact O-CD1 3.43Å; G28-K64 PolarHBondContact O-NZ 3.45Å
29S93.3Very high92.6Very high52 Ų5258.9 Ų58.936%0.36432%0.318SS..  trans-72.3162.5164.775.90000111S31 Q32 I33S29-S31 VanDerWaalsContact C-N 3.32Å; S29-S31 PolarHBondContact O-N 2.98Å; S29-S31 PolarHBondContact OG-OG 2.88Å; S29-Q32 PolarHBondContact O-N 2.8Å; S29-Q32 VanDerWaalsContact OG-CG 3.26Å; S29-Q32 WeakPolarHBondContact OG-CG 3.33Å; S29-Q32 PolarHBondContact OG-N 3.12Å; S29-Q32 PolarHBondContact OG-OE1 3.32Å; S29-I33 WeakPolarHBondContact O-CB 3.45Å; S29-I33 WeakPolarHBondContact O-CG1 3.37Å; S29-I33 PolarHBondContact O-N 3.17Å
30E92.8Very high92.5Very high93 Ų9356.5 Ų56.544%0.43530%0.303SS..Hα-helixtrans-54.5-45.6-178.6-178.9176.4146.100113.1I33 K34 G66 V67E30-I33 PolarHBondContact O-N 3.42Å; E30-K34 HydrophobicContact CG-CD 4.05Å; E30-K34 WeakPolarHBondContact O-CB 3.21Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.34Å; E30-K34 PolarHBondContact O-N 3.07Å; E30-K34 WeakPolarHBondContact OE1-CE 3.27Å; E30-K34 IonicContact OE1-NZ 2.65Å; E30-K34 PolarHBondContact OE1-NZ 3.29Å; E30-G66 WeakPolarHBondContact OE2-CA 3.07Å; E30-V67 HydrophobicContact CB-CG2 4.25Å; E30-V67 HydrophobicContact CG-CG2 3.92Å
31S93.3Very high92.2Very high86 Ų8654.1 Ų54.160%0.60129%0.29SS*.Hα-helixtrans-67-41.3179.955.30000112.4S29 S35S29-S31 VanDerWaalsContact C-N 3.32Å; S29-S31 PolarHBondContact O-N 2.98Å; S29-S31 PolarHBondContact OG-OG 2.88Å; S31-S35 WeakPolarHBondContact O-CB 3.45Å; S31-S35 PolarHBondContact O-N 3.43Å
32Q93.8Very high91.9Very high120 Ų12061 Ų6156%0.56132%0.318SS*.Hα-helixtrans-63.3-45176.6-71.6171.4-27.900111.4S29 S35 F36S29-Q32 PolarHBondContact O-N 2.8Å; S29-Q32 VanDerWaalsContact OG-CG 3.26Å; S29-Q32 WeakPolarHBondContact OG-CG 3.33Å; S29-Q32 PolarHBondContact OG-N 3.12Å; S29-Q32 PolarHBondContact OG-OE1 3.32Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-F36 VanDerWaalsContact O-CB 3.3Å; Q32-F36 WeakPolarHBondContact O-CB 3.41Å; Q32-F36 PolarHBondContact O-N 2.9Å
33I93.8Very high91.6Very high0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-60.7-54.2178.2-69.6168000109.6V24 V25 G28 S29 E30 S35 F36 L37 K64 V67V24-I33 HydrophobicContact CG1-CG1 4.05Å; V25-I33 HydrophobicContact CG2-CG2 3.98Å; G28-I33 WeakPolarHBondContact O-CD1 3.43Å; S29-I33 WeakPolarHBondContact O-CB 3.45Å; S29-I33 WeakPolarHBondContact O-CG1 3.37Å; S29-I33 PolarHBondContact O-N 3.17Å; E30-I33 PolarHBondContact O-N 3.42Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 2.78Å; I33-F36 PolarHBondContact O-N 2.87Å; I33-L37 HydrophobicContact CB-CD1 4.4Å; I33-L37 HydrophobicContact CG2-CD1 3.44Å; I33-L37 VanDerWaalsContact CG2-CD1 3.44Å; I33-L37 WeakPolarHBondContact O-CD1 3.34Å; I33-L37 PolarHBondContact O-N 2.88Å; I33-K64 HydrophobicContact CD1-CD 3.66Å; I33-V67 HydrophobicContact CB-CG2 4.16Å; I33-V67 HydrophobicContact CD1-CG2 4.03Å; I33-V67 HydrophobicContact CG2-CB 4.48Å; I33-V67 HydrophobicContact CG2-CG1 3.65Å; I33-V67 HydrophobicContact CG2-CG2 3.92Å
34K93.5Very high91.4Very high50 Ų5059.7 Ų59.722%0.21731%0.307CS..Hα-helixtrans-57-44.1-179.6-72175.6179.4-176.60112E30 A38 G66 W70E30-K34 HydrophobicContact CG-CD 4.05Å; E30-K34 WeakPolarHBondContact O-CB 3.21Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.34Å; E30-K34 PolarHBondContact O-N 3.07Å; E30-K34 WeakPolarHBondContact OE1-CE 3.27Å; E30-K34 IonicContact OE1-NZ 2.65Å; E30-K34 PolarHBondContact OE1-NZ 3.29Å; K34-A38 VanDerWaalsContact O-CB 3.32Å; K34-A38 WeakPolarHBondContact O-CB 3.33Å; K34-A38 PolarHBondContact O-N 3.41Å; K34-A38 VanDerWaalsContact O-N 3.15Å; K34-G66 WeakPolarHBondContact CE-O 2.99Å; K34-G66 PolarHBondContact NZ-O 3.12Å; K34-W70 HydrophobicContact CD-CB 4.34Å; K34-W70 HydrophobicContact CD-CD2 4.45Å; K34-W70 HydrophobicContact CD-CG 4.07Å; K34-W70 VanDerWaalsContact CE-CB 3.49Å; K34-W70 HydrophobicContact CG-CD2 3.93Å; K34-W70 HydrophobicContact CG-CE3 4.23Å; K34-W70 HydrophobicContact CG-CG 4.06Å
35S91.8Very high90.9Very high65 Ų6558.7 Ų58.746%0.45530%0.302SS..Hα-helixtrans-65.3-44.5178.6-175.60000112.4S31 Q32 I33 R39S31-S35 WeakPolarHBondContact O-CB 3.45Å; S31-S35 PolarHBondContact O-N 3.43Å; Q32-S35 PolarHBondContact O-N 2.87Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 2.78Å; S35-R39 WeakPolarHBondContact O-CG 3.01Å; S35-R39 PolarHBondContact O-N 3.21Å
36F92.8Very high90.6Very high67 Ų6761.8 Ų61.829%0.29432%0.321SS..Hα-helixtrans-64.9-49.9179.1-176.9-91.9000111.7V24 Q32 I33 A38 R39 Y40V24-F36 HydrophobicContact CB-CD1 4.01Å; V24-F36 HydrophobicContact CB-CE1 4.28Å; V24-F36 HydrophobicContact CG1-CB 4.08Å; V24-F36 HydrophobicContact CG1-CD1 3.92Å; V24-F36 HydrophobicContact CG1-CG 4.06Å; V24-F36 HydrophobicContact CG2-CD1 3.8Å; V24-F36 HydrophobicContact CG2-CD2 4.41Å; V24-F36 HydrophobicContact CG2-CE1 3.73Å; V24-F36 HydrophobicContact CG2-CE2 4.36Å; V24-F36 HydrophobicContact CG2-CG 4.15Å; V24-F36 HydrophobicContact CG2-CZ 4.03Å; Q32-F36 VanDerWaalsContact O-CB 3.3Å; Q32-F36 WeakPolarHBondContact O-CB 3.41Å; Q32-F36 PolarHBondContact O-N 2.9Å; I33-F36 PolarHBondContact O-N 2.87Å; F36-A38 VanDerWaalsContact C-N 3.29Å; F36-A38 PolarHBondContact O-N 3.13Å; F36-R39 PolarHBondContact O-N 3.07Å; F36-R39 VanDerWaalsContact O-N 3.14Å; F36-Y40 HydrophobicContact CD1-CG 4.47Å; F36-Y40 AromaticContact CE1-CD1 3.55Å; F36-Y40 HydrophobicContact CE1-CD1 3.55Å; F36-Y40 HydrophobicContact CE1-CD2 4.48Å; F36-Y40 HydrophobicContact CE1-CE1 4.33Å; F36-Y40 AromaticContact CE1-CG 3.66Å; F36-Y40 HydrophobicContact CE1-CG 3.66Å; F36-Y40 HydrophobicContact CE2-CD2 4.14Å; F36-Y40 HydrophobicContact CE2-CG 4.04Å; F36-Y40 AromaticContact CZ-CD1 3.55Å; F36-Y40 HydrophobicContact CZ-CD1 3.55Å; F36-Y40 AromaticContact CZ-CD2 3.79Å; F36-Y40 HydrophobicContact CZ-CD2 3.79Å; F36-Y40 HydrophobicContact CZ-CE1 4.07Å; F36-Y40 HydrophobicContact CZ-CE2 4.29Å; F36-Y40 AromaticContact CZ-CG 3.4Å; F36-Y40 HydrophobicContact CZ-CG 3.4Å; F36-Y40 WeakPolarHBondContact O-CB 3.43Å; F36-Y40 PolarHBondContact O-N 3.47Å
37L91.2Very high90.5Very high2 Ų259.3 Ų59.31%0.0131%0.306CS..Hα-helixtrans-61.4-37.8-179-85.185.8000112.1V21 V25 I33 R39 A44 A55 W70 L71V21-L37 HydrophobicContact CG1-CD2 3.88Å; V21-L37 HydrophobicContact CG1-CG 4.03Å; V25-L37 HydrophobicContact CG2-CD1 4.1Å; V25-L37 HydrophobicContact CG2-CD2 4.48Å; I33-L37 HydrophobicContact CB-CD1 4.4Å; I33-L37 HydrophobicContact CG2-CD1 3.44Å; I33-L37 VanDerWaalsContact CG2-CD1 3.44Å; I33-L37 WeakPolarHBondContact O-CD1 3.34Å; I33-L37 PolarHBondContact O-N 2.88Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.99Å; L37-A44 HydrophobicContact CB-CB 3.8Å; L37-A44 HydrophobicContact CD2-CB 3.91Å; L37-A44 HydrophobicContact CG-CB 3.86Å; L37-A44 WeakPolarHBondContact O-CB 3.43Å; L37-A55 HydrophobicContact CD2-CB 4.06Å; L37-W70 HydrophobicContact CB-CH2 3.98Å; L37-W70 HydrophobicContact CB-CZ3 4.03Å; L37-W70 HydrophobicContact CD2-CZ3 4.2Å; L37-L71 HydrophobicContact CD2-CD2 3.97Å
38A89.3Confident90.7Very high58 Ų5855.4 Ų55.448%0.47929%0.289SS..Hα-helixtrans-66.2-27.7179.100000113.5K34 F36K34-A38 VanDerWaalsContact O-CB 3.32Å; K34-A38 WeakPolarHBondContact O-CB 3.33Å; K34-A38 PolarHBondContact O-N 3.41Å; K34-A38 VanDerWaalsContact O-N 3.15Å; F36-A38 VanDerWaalsContact C-N 3.29Å; F36-A38 PolarHBondContact O-N 3.13Å
39R89.3Confident90.8Very high147 Ų14755.1 Ų55.156%0.55528%0.283SS*.Hα-helixtrans-105.1-26.7-173.6-66.5177.367.1154.22.8114A4 P6 S35 F36 L37A4-R39 HydrophobicContact CB-CG 4.37Å; P6-R39 VanDerWaalsContact CA-O 3.31Å; P6-R39 WeakPolarHBondContact CA-O 3.27Å; S35-R39 WeakPolarHBondContact O-CG 3.01Å; S35-R39 PolarHBondContact O-N 3.21Å; F36-R39 PolarHBondContact O-N 3.07Å; F36-R39 VanDerWaalsContact O-N 3.14Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 2.99Å
40Y90.8Very high90.8Very high40 Ų4055.4 Ų55.416%0.15729%0.289CS..Hα-helixtrans-88.1-40.6-170.2-172.8-111.6000113H17 D20 V21 F36H17-Y40 HydrophobicContact CB-CE1 4.26Å; D20-Y40 HydrophobicContact CB-CE1 3.74Å; D20-Y40 PolarHBondContact OD2-OH 3.45Å; V21-Y40 HydrophobicContact CG2-CD1 4.28Å; F36-Y40 HydrophobicContact CD1-CG 4.47Å; F36-Y40 AromaticContact CE1-CD1 3.55Å; F36-Y40 HydrophobicContact CE1-CD1 3.55Å; F36-Y40 HydrophobicContact CE1-CD2 4.48Å; F36-Y40 HydrophobicContact CE1-CE1 4.33Å; F36-Y40 AromaticContact CE1-CG 3.66Å; F36-Y40 HydrophobicContact CE1-CG 3.66Å; F36-Y40 HydrophobicContact CE2-CD2 4.14Å; F36-Y40 HydrophobicContact CE2-CG 4.04Å; F36-Y40 AromaticContact CZ-CD1 3.55Å; F36-Y40 HydrophobicContact CZ-CD1 3.55Å; F36-Y40 AromaticContact CZ-CD2 3.79Å; F36-Y40 HydrophobicContact CZ-CD2 3.79Å; F36-Y40 HydrophobicContact CZ-CE1 4.07Å; F36-Y40 HydrophobicContact CZ-CE2 4.29Å; F36-Y40 AromaticContact CZ-CG 3.4Å; F36-Y40 HydrophobicContact CZ-CG 3.4Å; F36-Y40 WeakPolarHBondContact O-CB 3.43Å; F36-Y40 PolarHBondContact O-N 3.47Å
41C88.4Confident90.7Very high3 Ų355.8 Ų55.82%0.0229%0.29CS..  trans-141.1126.3-175.9-179.30000111.6V21 N43 A44V21-C41 HydrophobicContact CG2-CB 4.35Å; C41-N43 PolarHBondContact O-N 3.12Å; C41-A44 HydrophobicContact CB-CB 4.04Å; C41-A44 VanDerWaalsContact O-CB 3.28Å; C41-A44 WeakPolarHBondContact O-CB 3.37Å; C41-A44 PolarHBondContact O-N 2.77Å
42Y87.2Confident90.7Very high145 Ų14552 Ų5257%0.56926%0.264SS*.THydrogen-bonded Turntrans-57.4-37176.8-167-75.3000112P6 C8P6-Y42 HydrophobicContact CG-CD2 4.2Å; C8-Y42 PolarHBondContact SG-N 3.12Å
43N87.5Confident90.7Very high34 Ų3449.2 Ų49.218%0.18225%0.248CC..THydrogen-bonded Turntrans-100.628.9178-77.5-9.8000112.9S10 C12 C41 A45 T46 V47S10-N43 PolarHBondContact O-ND2 3.29Å; S10-N43 PolarHBondContact O-OD1 3.12Å; C12-N43 PolarHBondContact O-ND2 3.02Å; C41-N43 PolarHBondContact O-N 3.12Å; N43-A45 PolarHBondContact O-N 3.04Å; N43-T46 WeakPolarHBondContact CB-OG1 3.2Å; N43-T46 PolarHBondContact O-N 3.03Å; N43-T46 PolarHBondContact O-OG1 3.31Å; N43-V47 WeakPolarHBondContact O-CB 3.29Å; N43-V47 PolarHBondContact O-N 2.76Å
44A87.8Confident90.7Very high5 Ų549.4 Ų49.44%0.04125%0.249CC..THydrogen-bonded Turntrans-54.1-30.4-176.500000113.7V21 L37 C41V21-A44 HydrophobicContact CG2-CB 4.16Å; L37-A44 HydrophobicContact CB-CB 3.8Å; L37-A44 HydrophobicContact CD2-CB 3.91Å; L37-A44 HydrophobicContact CG-CB 3.86Å; L37-A44 WeakPolarHBondContact O-CB 3.43Å; C41-A44 HydrophobicContact CB-CB 4.04Å; C41-A44 VanDerWaalsContact O-CB 3.28Å; C41-A44 WeakPolarHBondContact O-CB 3.37Å; C41-A44 PolarHBondContact O-N 2.77Å
45A84.5Confident90.8Very high14 Ų1447 Ų4712%0.11624%0.239CC..THydrogen-bonded Turntrans-74.4-30.3177.200000113.8N43 L71 K74 V76N43-A45 PolarHBondContact O-N 3.04Å; A45-L71 HydrophobicContact CB-CD2 3.98Å; A45-K74 HydrophobicContact CB-CB 4.44Å; A45-V76 HydrophobicContact CB-CB 4.45Å; A45-V76 VanDerWaalsContact O-CG2 3.3Å; A45-V76 WeakPolarHBondContact O-CG2 3.32Å
46T87.9Confident90.9Very high65 Ų6544 Ų4440%0.39922%0.218SC..THydrogen-bonded Turntrans-110.4-9.4-170.759.70000114N43 K48N43-T46 WeakPolarHBondContact CB-OG1 3.2Å; N43-T46 PolarHBondContact O-N 3.03Å; N43-T46 PolarHBondContact O-OG1 3.31Å; T46-K48 VanDerWaalsContact O-CG 3.31Å; T46-K48 WeakPolarHBondContact O-CG 3.4Å; T46-K48 PolarHBondContact O-N 3.44Å
47V91.7Very high91.1Very high5 Ų540.9 Ų40.93%0.0320%0.204CC..  trans-62.9132.3-177.671.80000112.4A18 V21 N43A18-V47 HydrophobicContact CB-CB 4.48Å; A18-V47 HydrophobicContact CB-CG1 4.27Å; A18-V47 HydrophobicContact CB-CG2 3.59Å; V21-V47 HydrophobicContact CB-CG1 4.33Å; V21-V47 HydrophobicContact CG1-CG1 4.37Å; V21-V47 HydrophobicContact CG2-CG1 4.42Å; N43-V47 WeakPolarHBondContact O-CB 3.29Å; N43-V47 PolarHBondContact O-N 2.76Å
48K92.9Very high91.3Very high98 Ų9841.7 Ų41.743%0.42621%0.209SC..  trans-87.6120.5-178.238.1151.1173.5172.70115.8A18 T46 R53 V80A18-K48 WeakPolarHBondContact CB-O 3.47Å; T46-K48 VanDerWaalsContact O-CG 3.31Å; T46-K48 WeakPolarHBondContact O-CG 3.4Å; T46-K48 PolarHBondContact O-N 3.44Å; K48-R53 WeakPolarHBondContact CB-O 3.21Å; K48-V80 HydrophobicContact CD-CG1 4.06Å
49D93Very high91.6Very high8 Ų839 Ų394%0.04319%0.186CC..  trans-75.9179.1159.178.2-0.2000112.4A18 L19 L22 F51 G52 R53A18-D49 HydrophobicContact CB-CB 4.4Å; L19-D49 HydrophobicContact CD2-CB 4.43Å; L22-D49 HydrophobicContact CD1-CB 3.61Å; L22-D49 WeakPolarHBondContact CD1-OD2 3.49Å; D49-F51 PolarHBondContact O-N 3.04Å; D49-F51 VanDerWaalsContact OD1-C 3.26Å; D49-F51 WeakPolarHBondContact OD1-CA 3.27Å; D49-F51 WeakPolarHBondContact OD1-CB 3.43Å; D49-F51 PolarHBondContact OD1-N 3.49Å; D49-G52 PolarHBondContact O-N 3.41Å; D49-G52 PolarHBondContact OD1-N 3.29Å; D49-R53 PolarHBondContact N-O 3.03Å; D49-R53 WeakPolarHBondContact OD1-CB 3.19Å; D49-R53 PolarHBondContact OD1-N 3.23Å; D49-R53 IonicContact OD1-NE 3.41Å; D49-R53 IonicContact OD2-CZ 3.82Å; D49-R53 IonicContact OD2-NE 2.98Å; D49-R53 PolarHBondContact OD2-NE 3.31Å; D49-R53 IonicContact OD2-NH2 3.34Å; D49-R53 PolarHBondContact OD2-NH2 3.44Å
50A92.7Very high91.9Very high58 Ų5832 Ų3248%0.47916%0.159SC..THydrogen-bonded Turntrans-58-30.818000000112.7L15 G52 K83L15-A50 HydrophobicContact CD1-CB 4.26Å; A50-G52 VanDerWaalsContact C-N 3.32Å; A50-K83 WeakPolarHBondContact O-CD 3.45Å; A50-K83 PolarHBondContact O-NZ 2.84Å
51F92.3Very high92.1Very high102 Ų10230.8 Ų30.845%0.44716%0.157SC..THydrogen-bonded Turntrans-87.65177.8-54.4-78.5000113D49 R53 K83D49-F51 PolarHBondContact O-N 3.04Å; D49-F51 VanDerWaalsContact OD1-C 3.26Å; D49-F51 WeakPolarHBondContact OD1-CA 3.27Å; D49-F51 WeakPolarHBondContact OD1-CB 3.43Å; D49-F51 PolarHBondContact OD1-N 3.49Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 HydrophobicContact CB-CG 4.17Å; F51-R53 PolarHBondContact O-N 3.33Å; F51-K83 WeakPolarHBondContact O-CB 3.43Å; F51-K83 PolarHBondContact O-N 3.29Å
52G92.5Very high92.5Very high6 Ų633 Ų336%0.06217%0.172CC..SBendtrans75.311.8179.700000114.7D49 A50D49-G52 PolarHBondContact O-N 3.41Å; D49-G52 PolarHBondContact OD1-N 3.29Å; A50-G52 VanDerWaalsContact C-N 3.32Å
53R93.8Very high92.9Very high62 Ų6227.5 Ų27.523%0.23416%0.159CC..  trans-83.9138.8179.2-55.9174.9-60.5-171.35.1110L22 K48 D49 F51 H57 L58 D82L22-R53 HydrophobicContact CD1-CB 4.26Å; K48-R53 WeakPolarHBondContact CB-O 3.21Å; D49-R53 PolarHBondContact N-O 3.03Å; D49-R53 WeakPolarHBondContact OD1-CB 3.19Å; D49-R53 PolarHBondContact OD1-N 3.23Å; D49-R53 IonicContact OD1-NE 3.41Å; D49-R53 IonicContact OD2-CZ 3.82Å; D49-R53 IonicContact OD2-NE 2.98Å; D49-R53 PolarHBondContact OD2-NE 3.31Å; D49-R53 IonicContact OD2-NH2 3.34Å; D49-R53 PolarHBondContact OD2-NH2 3.44Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 HydrophobicContact CB-CG 4.17Å; F51-R53 PolarHBondContact O-N 3.33Å; R53-H57 HydrophobicContact CB-CB 4.33Å; R53-L58 HydrophobicContact CB-CD2 3.93Å; R53-D82 HydrophobicContact CG-CB 3.82Å
54N94.4Very high93.3Very high4 Ų427.9 Ų27.92%0.02116%0.159CC..  trans-114.8175.4175.270.612.2000111.1G56 H57 L58N54-G56 PolarHBondContact O-N 2.77Å; N54-G56 VanDerWaalsContact O-N 3.13Å; N54-G56 WeakPolarHBondContact OD1-CA 3.49Å; N54-G56 PolarHBondContact OD1-N 3.23Å; N54-H57 PolarHBondContact N-ND1 2.96Å; N54-H57 WeakPolarHBondContact O-CB 3.46Å; N54-H57 PolarHBondContact O-N 2.85Å; N54-H57 PolarHBondContact OD1-N 2.82Å; N54-H57 VanDerWaalsContact OD1-N 3.09Å; N54-H57 PolarHBondContact OD1-ND1 2.84Å; N54-L58 WeakPolarHBondContact O-CD2 3.37Å; N54-L58 PolarHBondContact O-N 2.84Å
55A94.8Very high93.6Very high0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-54-34.2179.900000113.1V21 V25 L37 L58 A59 L71V21-A55 HydrophobicContact CG1-CB 4.12Å; V25-A55 HydrophobicContact CG2-CB 4.15Å; L37-A55 HydrophobicContact CD2-CB 4.06Å; A55-L58 PolarHBondContact O-N 3.33Å; A55-A59 WeakPolarHBondContact O-CB 3.44Å; A55-A59 PolarHBondContact O-N 2.87Å; A55-L71 HydrophobicContact CB-CD1 3.71Å; A55-L71 HydrophobicContact CB-CD2 4.08Å
56G95.1Very high94.2Very high1 Ų131.3 Ų31.31%0.0118%0.175CC..Hα-helixtrans-64-38.617700000113.7N54 L58 S60N54-G56 PolarHBondContact O-N 2.77Å; N54-G56 VanDerWaalsContact O-N 3.13Å; N54-G56 WeakPolarHBondContact OD1-CA 3.49Å; N54-G56 PolarHBondContact OD1-N 3.23Å; G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 3.06Å; G56-S60 WeakPolarHBondContact O-CB 3.43Å; G56-S60 PolarHBondContact O-N 2.94Å; G56-S60 PolarHBondContact O-OG 2.8Å
57H95.6Very high94.6Very high2 Ų228.3 Ų28.31%0.00916%0.157CC..Hα-helixtrans-62.9-41.4175.3-67.882.2000111.5R53 N54 S61 V80 W87R53-H57 HydrophobicContact CB-CB 4.33Å; N54-H57 PolarHBondContact N-ND1 2.96Å; N54-H57 WeakPolarHBondContact O-CB 3.46Å; N54-H57 PolarHBondContact O-N 2.85Å; N54-H57 PolarHBondContact OD1-N 2.82Å; N54-H57 VanDerWaalsContact OD1-N 3.09Å; N54-H57 PolarHBondContact OD1-ND1 2.84Å; H57-S61 WeakPolarHBondContact O-CB 3.31Å; H57-S61 PolarHBondContact O-N 3.24Å; H57-S61 PolarHBondContact O-OG 2.84Å; H57-V80 PolarHBondContact CE1-O 2.98Å; H57-V80 PolarHBondContact NE2-O 3.45Å; H57-V80 VanDerWaalsContact NE2-O 3.13Å; H57-W87 PolarHBondContact NE2-O 2.68Å
58L95.3Very high94.8Very high19 Ų1928 Ų2810%0.09916%0.155CC..Hα-helixtrans-77.7-41.5-176.4-78.6-63.7000111L22 V25 T26 R53 N54 A55 G56 S60 S61 C62L22-L58 HydrophobicContact CB-CG 4.28Å; L22-L58 HydrophobicContact CD1-CD2 3.94Å; L22-L58 HydrophobicContact CD1-CG 4.49Å; L22-L58 HydrophobicContact CD2-CB 4.47Å; L22-L58 HydrophobicContact CD2-CD2 3.75Å; L22-L58 HydrophobicContact CD2-CG 3.99Å; L22-L58 HydrophobicContact CG-CD2 4.29Å; L22-L58 HydrophobicContact CG-CG 4.47Å; V25-L58 HydrophobicContact CB-CB 4.3Å; V25-L58 HydrophobicContact CG1-CB 3.75Å; T26-L58 HydrophobicContact CG2-CD1 3.86Å; T26-L58 HydrophobicContact CG2-CG 4.49Å; R53-L58 HydrophobicContact CB-CD2 3.93Å; N54-L58 WeakPolarHBondContact O-CD2 3.37Å; N54-L58 PolarHBondContact O-N 2.84Å; A55-L58 PolarHBondContact O-N 3.33Å; G56-L58 VanDerWaalsContact C-N 3.33Å; G56-L58 PolarHBondContact O-N 3.06Å; L58-S60 PolarHBondContact O-N 3.49Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.11Å; L58-C62 WeakPolarHBondContact O-CB 3.39Å; L58-C62 PolarHBondContact O-N 3.34Å; L58-C62 PolarHBondContact O-SG 2.92Å; L58-C62 VanDerWaalsContact O-SG 3.37Å
59A96.2Very high94.9Very high0 Ų025.6 Ų25.60%015%0.147CC..Hα-helixtrans-56.8-42172.300000111V25 A55 C62 G63 K64 V67 L68 L71V25-A59 HydrophobicContact CG1-CB 4.1Å; A55-A59 WeakPolarHBondContact O-CB 3.44Å; A55-A59 PolarHBondContact O-N 2.87Å; A59-C62 PolarHBondContact O-N 2.76Å; A59-G63 PolarHBondContact O-N 3.18Å; A59-K64 HydrophobicContact CB-CB 4.43Å; A59-K64 PolarHBondContact O-N 2.9Å; A59-V67 HydrophobicContact CB-CB 4.43Å; A59-V67 HydrophobicContact CB-CG1 4.12Å; A59-L68 HydrophobicContact CB-CB 4.22Å; A59-L71 HydrophobicContact CB-CD1 4.26Å
60S96.4Very high95Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-65.8-39.5174.5-64.80000113.7G56 L58 C62 A89 S93 H98G56-S60 WeakPolarHBondContact O-CB 3.43Å; G56-S60 PolarHBondContact O-N 2.94Å; G56-S60 PolarHBondContact O-OG 2.8Å; L58-S60 PolarHBondContact O-N 3.49Å; S60-C62 VanDerWaalsContact C-N 3.28Å; S60-C62 PolarHBondContact O-N 3.03Å; S60-A89 WeakPolarHBondContact CB-O 3.32Å; S60-A89 WeakPolarHBondContact OG-CB 3.1Å; S60-A89 PolarHBondContact OG-O 2.9Å; S60-S93 WeakPolarHBondContact CB-OG 3.34Å; S60-S93 PolarHBondContact OG-OG 2.82Å; S60-H98 PolarHBondContact O-CD2 3.31Å
61S95.2Very high95.1Very high16 Ų1624.5 Ų24.511%0.11213%0.129CC..Hα-helixtrans-73.2-21179.1-53.10000113.1H57 L58 R92 H98H57-S61 WeakPolarHBondContact O-CB 3.31Å; H57-S61 PolarHBondContact O-N 3.24Å; H57-S61 PolarHBondContact O-OG 2.84Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.11Å; S61-R92 WeakPolarHBondContact OG-CD 3.49Å; S61-R92 PolarHBondContact OG-NH1 2.78Å; S61-H98 PolarHBondContact O-NE2 2.84Å; S61-H98 VanDerWaalsContact O-NE2 3.16Å
62C95.4Very high95.1Very high49 Ų4920.8 Ų20.833%0.33111%0.114SC..THydrogen-bonded Turntrans-106.25.6-178.9-61.20000113.1L58 A59 S60 K64L58-C62 WeakPolarHBondContact O-CB 3.39Å; L58-C62 PolarHBondContact O-N 3.34Å; L58-C62 PolarHBondContact O-SG 2.92Å; L58-C62 VanDerWaalsContact O-SG 3.37Å; A59-C62 PolarHBondContact O-N 2.76Å; S60-C62 VanDerWaalsContact C-N 3.28Å; S60-C62 PolarHBondContact O-N 3.03Å; C62-K64 VanDerWaalsContact C-N 3.27Å; C62-K64 HydrophobicContact CB-CD 4.29Å; C62-K64 HydrophobicContact CB-CG 3.97Å; C62-K64 PolarHBondContact O-N 2.94Å
63G95.4Very high95.1Very high29 Ų2927.7 Ų27.730%0.29915%0.145SC..THydrogen-bonded Turntrans66.722.4-179.900000114.9A59 K65 H98A59-G63 PolarHBondContact O-N 3.18Å; G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 2.87Å; G63-H98 PolarHBondContact N-CD2 3.49Å; G63-H98 VanDerWaalsContact N-CD2 3.26Å; G63-H98 PolarHBondContact N-NE2 2.99Å
64K95.5Very high94.8Very high42 Ų4231 Ų3118%0.18316%0.161CC..  trans-85.167.8-175.4-59.9-168.8-177.4-172.20111.4V25 T26 G28 I33 A59 C62 G66 V67 L68V25-K64 VanDerWaalsContact O-CD 3.28Å; V25-K64 WeakPolarHBondContact O-CD 3.38Å; V25-K64 WeakPolarHBondContact O-CE 3.17Å; V25-K64 PolarHBondContact O-NZ 2.97Å; T26-K64 VanDerWaalsContact C-NZ 3.34Å; T26-K64 PolarHBondContact O-NZ 3.02Å; G28-K64 PolarHBondContact O-NZ 3.45Å; I33-K64 HydrophobicContact CD1-CD 3.66Å; A59-K64 HydrophobicContact CB-CB 4.43Å; A59-K64 PolarHBondContact O-N 2.9Å; C62-K64 VanDerWaalsContact C-N 3.27Å; C62-K64 HydrophobicContact CB-CD 4.29Å; C62-K64 HydrophobicContact CB-CG 3.97Å; C62-K64 PolarHBondContact O-N 2.94Å; K64-G66 PolarHBondContact O-N 2.79Å; K64-V67 HydrophobicContact CB-CB 4.06Å; K64-V67 HydrophobicContact CB-CG2 4.12Å; K64-V67 WeakPolarHBondContact O-CB 3.27Å; K64-V67 PolarHBondContact O-N 2.81Å; K64-V67 VanDerWaalsContact O-N 3.12Å; K64-L68 PolarHBondContact O-N 3.44Å
65K96.1Very high94.5Very high76 Ų7633.5 Ų33.533%0.3319%0.187SC..Hα-helixtrans-48.9-52-178.2-174.6-159.8-167.1158.20113.5G63 V67 L68 D69 D100G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 2.87Å; K65-V67 VanDerWaalsContact C-N 3.26Å; K65-V67 PolarHBondContact O-N 3.03Å; K65-L68 WeakPolarHBondContact O-CA 3.37Å; K65-L68 WeakPolarHBondContact O-CB 3.35Å; K65-L68 PolarHBondContact O-N 3.21Å; K65-D69 PolarHBondContact O-N 2.88Å; K65-D100 HydrophobicContact CB-CB 4.22Å; K65-D100 HydrophobicContact CD-CB 3.9Å; K65-D100 HydrophobicContact CG-CB 4.23Å; K65-D100 IonicContact NZ-OD1 2.82Å; K65-D100 PolarHBondContact NZ-OD1 3.05Å
66G95.8Very high94.3Very high16 Ų1634 Ų3417%0.16519%0.191CC..Hα-helixtrans-66.2-25.6-17700000114.2E30 K34 K64 W70E30-G66 WeakPolarHBondContact OE2-CA 3.07Å; K34-G66 WeakPolarHBondContact CE-O 2.99Å; K34-G66 PolarHBondContact NZ-O 3.12Å; K64-G66 PolarHBondContact O-N 2.79Å; G66-W70 WeakPolarHBondContact O-CB 3.37Å; G66-W70 PolarHBondContact O-N 2.95Å
67V95.8Very high94.1Very high1 Ų138.2 Ų38.21%0.00621%0.213CC..Hα-helixtrans-74.8-43.2169.3176.30000110.4E30 I33 A59 K64 K65 W70 L71E30-V67 HydrophobicContact CB-CG2 4.25Å; E30-V67 HydrophobicContact CG-CG2 3.92Å; I33-V67 HydrophobicContact CB-CG2 4.16Å; I33-V67 HydrophobicContact CD1-CG2 4.03Å; I33-V67 HydrophobicContact CG2-CB 4.48Å; I33-V67 HydrophobicContact CG2-CG1 3.65Å; I33-V67 HydrophobicContact CG2-CG2 3.92Å; A59-V67 HydrophobicContact CB-CB 4.43Å; A59-V67 HydrophobicContact CB-CG1 4.12Å; K64-V67 HydrophobicContact CB-CB 4.06Å; K64-V67 HydrophobicContact CB-CG2 4.12Å; K64-V67 WeakPolarHBondContact O-CB 3.27Å; K64-V67 PolarHBondContact O-N 2.81Å; K64-V67 VanDerWaalsContact O-N 3.12Å; K65-V67 VanDerWaalsContact C-N 3.26Å; K65-V67 PolarHBondContact O-N 3.03Å; V67-W70 PolarHBondContact O-N 3Å; V67-L71 HydrophobicContact CG1-CD1 4Å; V67-L71 HydrophobicContact CG1-CG 4.36Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.31Å; V67-L71 PolarHBondContact O-N 2.95Å
68L96.3Very high93.9Very high0 Ų039.1 Ų39.10%022%0.218CC..Hα-helixtrans-61.1-47.3178.8-177.661.3000111.8A59 K64 K65 W70 L71 I72 C101 L105A59-L68 HydrophobicContact CB-CB 4.22Å; K64-L68 PolarHBondContact O-N 3.44Å; K65-L68 WeakPolarHBondContact O-CA 3.37Å; K65-L68 WeakPolarHBondContact O-CB 3.35Å; K65-L68 PolarHBondContact O-N 3.21Å; L68-W70 VanDerWaalsContact C-N 3.31Å; L68-W70 PolarHBondContact O-N 2.92Å; L68-L71 WeakPolarHBondContact O-CB 3.36Å; L68-L71 PolarHBondContact O-N 2.86Å; L68-L71 VanDerWaalsContact O-N 3.11Å; L68-I72 HydrophobicContact CG-CD1 4.2Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 2.85Å; L68-C101 HydrophobicContact CD2-CB 3.74Å; L68-L105 HydrophobicContact CD1-CD2 4.33Å; L68-L105 HydrophobicContact CD2-CD1 4.15Å; L68-L105 HydrophobicContact CD2-CD2 4.16Å; L68-L105 HydrophobicContact CD2-CG 3.94Å
69D95.8Very high93.8Very high46 Ų4642.6 Ų42.625%0.24624%0.236CC..Hα-helixtrans-58-45.1176.8-68.1-10.6000110.9K65 L71 I72 E73 S104K65-D69 PolarHBondContact O-N 2.88Å; D69-L71 PolarHBondContact O-N 3.23Å; D69-I72 WeakPolarHBondContact O-CB 3.45Å; D69-I72 PolarHBondContact O-N 3.27Å; D69-E73 WeakPolarHBondContact O-CG 3.39Å; D69-E73 PolarHBondContact O-N 3.1Å; D69-S104 WeakPolarHBondContact OD1-CB 3.19Å; D69-S104 PolarHBondContact OD1-OG 3.41Å
70W94.9Very high93.6Very high43 Ų4343 Ų4316%0.16324%0.239CC..Hα-helixtrans-64.2-38175.9179.181.5000113K34 L37 G66 V67 L68 I72 E73 K74K34-W70 HydrophobicContact CD-CB 4.34Å; K34-W70 HydrophobicContact CD-CD2 4.45Å; K34-W70 HydrophobicContact CD-CG 4.07Å; K34-W70 VanDerWaalsContact CE-CB 3.49Å; K34-W70 HydrophobicContact CG-CD2 3.93Å; K34-W70 HydrophobicContact CG-CE3 4.23Å; K34-W70 HydrophobicContact CG-CG 4.06Å; L37-W70 HydrophobicContact CB-CH2 3.98Å; L37-W70 HydrophobicContact CB-CZ3 4.03Å; L37-W70 HydrophobicContact CD2-CZ3 4.2Å; G66-W70 WeakPolarHBondContact O-CB 3.37Å; G66-W70 PolarHBondContact O-N 2.95Å; V67-W70 PolarHBondContact O-N 3Å; L68-W70 VanDerWaalsContact C-N 3.31Å; L68-W70 PolarHBondContact O-N 2.92Å; W70-I72 VanDerWaalsContact C-N 3.31Å; W70-I72 PolarHBondContact O-N 2.86Å; W70-E73 PolarHBondContact O-N 3.1Å; W70-K74 HydrophobicContact CD2-CG 4.25Å; W70-K74 HydrophobicContact CE3-CG 4.46Å; W70-K74 HydrophobicContact CH2-CG 4.27Å; W70-K74 HydrophobicContact CZ2-CD 4.43Å; W70-K74 HydrophobicContact CZ2-CG 4.04Å; W70-K74 HydrophobicContact CZ3-CG 4.47Å; W70-K74 WeakPolarHBondContact O-CG 3.45Å; W70-K74 PolarHBondContact O-N 3.23Å
71L94.1Very high93.6Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-66-34.8174.7-72.2169.7000111.9L37 A45 A55 A59 V67 L68 D69 K74 G75 V76L37-L71 HydrophobicContact CD2-CD2 3.97Å; A45-L71 HydrophobicContact CB-CD2 3.98Å; A55-L71 HydrophobicContact CB-CD1 3.71Å; A55-L71 HydrophobicContact CB-CD2 4.08Å; A59-L71 HydrophobicContact CB-CD1 4.26Å; V67-L71 HydrophobicContact CG1-CD1 4Å; V67-L71 HydrophobicContact CG1-CG 4.36Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.31Å; V67-L71 PolarHBondContact O-N 2.95Å; L68-L71 WeakPolarHBondContact O-CB 3.36Å; L68-L71 PolarHBondContact O-N 2.86Å; L68-L71 VanDerWaalsContact O-N 3.11Å; D69-L71 PolarHBondContact O-N 3.23Å; L71-K74 CarbonylContact O-C 3.52Å; L71-K74 PolarHBondContact O-N 2.82Å; L71-G75 PolarHBondContact O-N 2.87Å; L71-V76 HydrophobicContact CB-CB 4.41Å; L71-V76 HydrophobicContact CB-CG1 4Å; L71-V76 WeakPolarHBondContact O-CB 3.42Å; L71-V76 VanDerWaalsContact O-CG1 3.32Å; L71-V76 WeakPolarHBondContact O-CG1 3.37Å; L71-V76 PolarHBondContact O-N 2.66Å; L71-V76 VanDerWaalsContact O-N 3.1Å
72I93.4Very high93.5Very high24 Ų2446.8 Ų46.812%0.12325%0.253CS..Hα-helixtrans-63.9-46.1174.1-67.5165.1000110.4L68 D69 W70 K74 G75 V76 L78 L105L68-I72 HydrophobicContact CG-CD1 4.2Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 2.85Å; D69-I72 WeakPolarHBondContact O-CB 3.45Å; D69-I72 PolarHBondContact O-N 3.27Å; W70-I72 VanDerWaalsContact C-N 3.31Å; W70-I72 PolarHBondContact O-N 2.86Å; I72-K74 PolarHBondContact O-N 3.28Å; I72-G75 PolarHBondContact O-N 2.97Å; I72-V76 HydrophobicContact CG1-CG1 4.32Å; I72-L78 HydrophobicContact CD1-CD1 4.25Å; I72-L78 HydrophobicContact CD1-CD2 4.4Å; I72-L78 HydrophobicContact CG1-CD1 4.12Å; I72-L78 HydrophobicContact CG1-CD2 3.9Å; I72-L78 HydrophobicContact CG1-CG 4.45Å; I72-L105 HydrophobicContact CD1-CD2 4.37Å
73E91.5Very high93.4Very high152 Ų15250.9 Ų50.971%0.7127%0.265SS*.Hα-helixtrans-59.3-31.7173.6-68.5171.8178.900112.5D69 W70 G75D69-E73 WeakPolarHBondContact O-CG 3.39Å; D69-E73 PolarHBondContact O-N 3.1Å; W70-E73 PolarHBondContact O-N 3.1Å; E73-G75 PolarHBondContact O-N 2.89Å
74K89Confident93.2Very high131 Ų13155.7 Ų55.757%0.5728%0.28SS*.THydrogen-bonded Turntrans-80.95.3174.4-64.8-62.3178.9-1720114.2A45 W70 L71 I72A45-K74 HydrophobicContact CB-CB 4.44Å; W70-K74 HydrophobicContact CD2-CG 4.25Å; W70-K74 HydrophobicContact CE3-CG 4.46Å; W70-K74 HydrophobicContact CH2-CG 4.27Å; W70-K74 HydrophobicContact CZ2-CD 4.43Å; W70-K74 HydrophobicContact CZ2-CG 4.04Å; W70-K74 HydrophobicContact CZ3-CG 4.47Å; W70-K74 WeakPolarHBondContact O-CG 3.45Å; W70-K74 PolarHBondContact O-N 3.23Å; L71-K74 CarbonylContact O-C 3.52Å; L71-K74 PolarHBondContact O-N 2.82Å; I72-K74 PolarHBondContact O-N 3.28Å
75G87.6Confident93Very high56 Ų5655.1 Ų55.158%0.57728%0.281SS*.THydrogen-bonded Turntrans78.431.517300000114.4L71 I72 E73 D77L71-G75 PolarHBondContact O-N 2.87Å; I72-G75 PolarHBondContact O-N 2.97Å; E73-G75 PolarHBondContact O-N 2.89Å; G75-D77 PolarHBondContact O-N 2.79Å
76V90.1Very high92.9Very high11 Ų1151.6 Ų51.67%0.06727%0.267CS..  trans-62.8134171.372.60000110.6A45 L71 I72 L78A45-V76 HydrophobicContact CB-CB 4.45Å; A45-V76 VanDerWaalsContact O-CG2 3.3Å; A45-V76 WeakPolarHBondContact O-CG2 3.32Å; L71-V76 HydrophobicContact CB-CB 4.41Å; L71-V76 HydrophobicContact CB-CG1 4Å; L71-V76 WeakPolarHBondContact O-CB 3.42Å; L71-V76 VanDerWaalsContact O-CG1 3.32Å; L71-V76 WeakPolarHBondContact O-CG1 3.37Å; L71-V76 PolarHBondContact O-N 2.66Å; L71-V76 VanDerWaalsContact O-N 3.1Å; I72-V76 HydrophobicContact CG1-CG1 4.32Å; V76-L78 HydrophobicContact CG1-CD2 3.75Å; V76-L78 PolarHBondContact O-N 3.07Å
77D90.3Very high92.8Very high89 Ų8952.6 Ų52.648%0.47627%0.265SS..  trans-73.4114.2171.71779.6000110G75 L79 V80G75-D77 PolarHBondContact O-N 2.79Å; D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 WeakPolarHBondContact OD1-CB 3.3Å; D77-L79 PolarHBondContact OD1-N 3.18Å; D77-V80 HydrophobicContact CB-CG2 3.77Å; D77-V80 WeakPolarHBondContact O-CG2 3.25Å; D77-V80 WeakPolarHBondContact OD2-CG2 3.06Å
78L91.6Very high92.8Very high22 Ų2252.5 Ų52.512%0.11527%0.265CS..THydrogen-bonded Turntrans-79.7-11-178.6-60.6180000113.6I72 V76 L105 H108 V110I72-L78 HydrophobicContact CD1-CD1 4.25Å; I72-L78 HydrophobicContact CD1-CD2 4.4Å; I72-L78 HydrophobicContact CG1-CD1 4.12Å; I72-L78 HydrophobicContact CG1-CD2 3.9Å; I72-L78 HydrophobicContact CG1-CG 4.45Å; V76-L78 HydrophobicContact CG1-CD2 3.75Å; V76-L78 PolarHBondContact O-N 3.07Å; L78-L105 HydrophobicContact CD1-CD2 3.97Å; L78-L105 HydrophobicContact CD2-CD2 3.59Å; L78-L105 HydrophobicContact CG-CD2 4.27Å; L78-H108 HydrophobicContact CD1-CB 4.06Å; L78-V110 HydrophobicContact CB-CG2 3.61Å; L78-V110 HydrophobicContact CD1-CG2 3.56Å; L78-V110 HydrophobicContact CG-CG2 4.22Å
79L92.9Very high92.8Very high91 Ų9152.7 Ų52.748%0.47627%0.266SS..THydrogen-bonded Turntrans-93.9-1.8-179-49.5-174.8000112.3D77 K81 M114D77-L79 VanDerWaalsContact C-N 3.3Å; D77-L79 WeakPolarHBondContact OD1-CB 3.3Å; D77-L79 PolarHBondContact OD1-N 3.18Å; L79-K81 PolarHBondContact O-N 2.78Å; L79-M114 HydrophobicContact CB-CE 4.3Å; L79-M114 HydrophobicContact CD2-CE 3.8Å; L79-M114 HydrophobicContact CG-CE 4.45Å
80V93.4Very high92.8Very high10 Ų1050.5 Ų50.56%0.06126%0.255CS..  trans-60.4132.1174.91780000109.6K48 H57 D77 T88K48-V80 HydrophobicContact CD-CG1 4.06Å; H57-V80 PolarHBondContact CE1-O 2.98Å; H57-V80 PolarHBondContact NE2-O 3.45Å; H57-V80 VanDerWaalsContact NE2-O 3.13Å; D77-V80 HydrophobicContact CB-CG2 3.77Å; D77-V80 WeakPolarHBondContact O-CG2 3.25Å; D77-V80 WeakPolarHBondContact OD2-CG2 3.06Å; V80-T88 WeakPolarHBondContact O-CA 3.28Å
81K95.1Very high92.8Very high91 Ų9148.5 Ų48.540%0.39625%0.247SC..  trans-106.5139.6174.6-65.2-177178.7-176.60110.6L79 G86 W87 T88 M114 Q115L79-K81 PolarHBondContact O-N 2.78Å; K81-G86 WeakPolarHBondContact CB-O 3.46Å; K81-G86 VanDerWaalsContact CD-O 3.28Å; K81-G86 WeakPolarHBondContact CD-O 3.44Å; K81-G86 VanDerWaalsContact CG-O 3.23Å; K81-G86 WeakPolarHBondContact CG-O 3.34Å; K81-W87 WeakPolarHBondContact CA-O 3.31Å; K81-T88 HydrophobicContact CG-CG2 3.91Å; K81-M114 VanDerWaalsContact CE-SD 3.55Å; K81-Q115 PolarHBondContact NZ-O 3.1Å
82D94.4Very high92.8Very high4 Ų449.4 Ų49.42%0.02125%0.251CS..  trans-68.8158.9169.173.847.2000112.1R53 E84 S85 G86 W87 R92R53-D82 HydrophobicContact CG-CB 3.82Å; D82-E84 VanDerWaalsContact C-N 3.34Å; D82-E84 PolarHBondContact OD1-N 2.77Å; D82-E84 VanDerWaalsContact OD1-N 3.14Å; D82-S85 VanDerWaalsContact CG-OG 3.27Å; D82-S85 PolarHBondContact OD1-N 2.86Å; D82-S85 PolarHBondContact OD1-OG 3.1Å; D82-S85 PolarHBondContact OD2-OG 2.81Å; D82-S85 VanDerWaalsContact OD2-OG 3.11Å; D82-G86 WeakPolarHBondContact O-CA 3.49Å; D82-G86 PolarHBondContact O-N 3.14Å; D82-G86 PolarHBondContact OD1-N 2.84Å; D82-G86 VanDerWaalsContact OD1-N 3.09Å; D82-W87 PolarHBondContact N-O 3.12Å; D82-R92 IonicContact OD2-CZ 2.78Å; D82-R92 IonicContact OD2-NE 2.7Å; D82-R92 PolarHBondContact OD2-NE 2.82Å; D82-R92 IonicContact OD2-NH2 3.27Å; D82-R92 PolarHBondContact OD2-NH2 2.93Å
83K93.6Very high92.9Very high135 Ų13548.3 Ų48.359%0.58725%0.245SC*.SBendtrans-82.1-10.7-176.8-66.4-175-168.8165.70113.3A50 F51 K117A50-K83 WeakPolarHBondContact O-CD 3.45Å; A50-K83 PolarHBondContact O-NZ 2.84Å; F51-K83 WeakPolarHBondContact O-CB 3.43Å; F51-K83 PolarHBondContact O-N 3.29Å; K83-K117 WeakPolarHBondContact O-CE 3.33Å; K83-K117 PolarHBondContact O-NZ 2.86Å
84E90.4Very high92.9Very high130 Ų13041.4 Ų41.461%0.60721%0.213SC*.SBendtrans-88.3-67.8-177.2-177.4175.9-168.700108.8D82 K117D82-E84 VanDerWaalsContact C-N 3.34Å; D82-E84 PolarHBondContact OD1-N 2.77Å; D82-E84 VanDerWaalsContact OD1-N 3.14Å; E84-K117 WeakPolarHBondContact O-CD 3.43Å; E84-K117 WeakPolarHBondContact O-CE 3.44Å; E84-K117 PolarHBondContact O-NZ 2.74Å
85S90.8Very high93Very high29 Ų2940.2 Ų40.220%0.20321%0.208CC..SBendtrans-93.8-24.7-175.563.10000113.1D82 W87 K117D82-S85 VanDerWaalsContact CG-OG 3.27Å; D82-S85 PolarHBondContact OD1-N 2.86Å; D82-S85 PolarHBondContact OD1-OG 3.1Å; D82-S85 PolarHBondContact OD2-OG 2.81Å; D82-S85 VanDerWaalsContact OD2-OG 3.11Å; S85-W87 VanDerWaalsContact C-N 3.33Å; S85-W87 WeakPolarHBondContact OG-CB 3.34Å; S85-W87 VanDerWaalsContact OG-CD1 3.29Å; S85-W87 PolarHBondContact OG-N 3.4Å; S85-W87 VanDerWaalsContact OG-N 3.08Å; S85-K117 VanDerWaalsContact O-CB 3.3Å; S85-K117 WeakPolarHBondContact O-CB 3.4Å; S85-K117 WeakPolarHBondContact O-CG 3.22Å; S85-K117 PolarHBondContact O-N 2.82Å
86G94Very high93.1Very high3 Ų343 Ų433%0.03120%0.202CC..  trans81.515.1-167.400000113.3K81 D82K81-G86 WeakPolarHBondContact CB-O 3.46Å; K81-G86 VanDerWaalsContact CD-O 3.28Å; K81-G86 WeakPolarHBondContact CD-O 3.44Å; K81-G86 VanDerWaalsContact CG-O 3.23Å; K81-G86 WeakPolarHBondContact CG-O 3.34Å; D82-G86 WeakPolarHBondContact O-CA 3.49Å; D82-G86 PolarHBondContact O-N 3.14Å; D82-G86 PolarHBondContact OD1-N 2.84Å; D82-G86 VanDerWaalsContact OD1-N 3.09Å
87W94.9Very high93.2Very high36 Ų3645 Ų4514%0.13623%0.225CC..  trans-74.8142.2-179.4-74.57.8000112.4H57 K81 D82 S85 H91 R92 F95 D116 L125H57-W87 PolarHBondContact NE2-O 2.68Å; K81-W87 WeakPolarHBondContact CA-O 3.31Å; D82-W87 PolarHBondContact N-O 3.12Å; S85-W87 VanDerWaalsContact C-N 3.33Å; S85-W87 WeakPolarHBondContact OG-CB 3.34Å; S85-W87 VanDerWaalsContact OG-CD1 3.29Å; S85-W87 PolarHBondContact OG-N 3.4Å; S85-W87 VanDerWaalsContact OG-N 3.08Å; W87-H91 HydrophobicContact CB-CB 3.63Å; W87-H91 AromaticContact CD1-CD2 3.8Å; W87-H91 HydrophobicContact CD2-CB 3.91Å; W87-H91 HydrophobicContact CE3-CB 4.36Å; W87-H91 HydrophobicContact CG-CB 3.56Å; W87-H91 AromaticContact CG-CG 3.99Å; W87-R92 HydrophobicContact CB-CG 4.46Å; W87-R92 HydrophobicContact CE3-CG 3.84Å; W87-F95 HydrophobicContact CH2-CB 3.99Å; W87-F95 HydrophobicContact CH2-CD1 4.01Å; W87-F95 AromaticContact CH2-CD2 3.47Å; W87-F95 HydrophobicContact CH2-CD2 3.47Å; W87-F95 VanDerWaalsContact CH2-CD2 3.47Å; W87-F95 HydrophobicContact CH2-CE1 4.38Å; W87-F95 AromaticContact CH2-CE2 3.88Å; W87-F95 HydrophobicContact CH2-CE2 3.88Å; W87-F95 AromaticContact CH2-CG 3.53Å; W87-F95 HydrophobicContact CH2-CG 3.53Å; W87-F95 HydrophobicContact CH2-CZ 4.32Å; W87-F95 HydrophobicContact CZ2-CD2 4.34Å; W87-F95 HydrophobicContact CZ3-CB 3.83Å; W87-F95 AromaticContact CZ3-CD1 3.89Å; W87-F95 HydrophobicContact CZ3-CD1 3.89Å; W87-F95 HydrophobicContact CZ3-CD2 4.11Å; W87-F95 HydrophobicContact CZ3-CE1 4.5Å; W87-F95 AromaticContact CZ3-CG 3.66Å; W87-F95 HydrophobicContact CZ3-CG 3.66Å; W87-D116 PolarHBondContact NE1-OD2 3.03Å; W87-L125 HydrophobicContact CD2-CD1 4.38Å; W87-L125 HydrophobicContact CH2-CD1 4.29Å; W87-L125 HydrophobicContact CZ2-CD1 3.75Å; W87-L125 HydrophobicContact CZ2-CD2 3.94Å
88T95.6Very high93.4Very high0 Ų043.5 Ų43.50%022%0.215CC..  trans-89.9174.116765.10000111V80 K81 L90 H91 R92 M114V80-T88 WeakPolarHBondContact O-CA 3.28Å; K81-T88 HydrophobicContact CG-CG2 3.91Å; T88-L90 PolarHBondContact O-N 3.33Å; T88-L90 PolarHBondContact OG1-N 3.18Å; T88-H91 PolarHBondContact N-ND1 3.23Å; T88-H91 VanDerWaalsContact N-ND1 3.2Å; T88-H91 PolarHBondContact O-N 3.27Å; T88-H91 PolarHBondContact OG1-ND1 2.87Å; T88-R92 PolarHBondContact O-N 2.94Å; T88-M114 HydrophobicContact CG2-SD 3.54Å; T88-M114 VanDerWaalsContact CG2-SD 3.54Å
89A95.7Very high93.4Very high3 Ų348.9 Ų48.93%0.02524%0.242CC..Hα-helixtrans-49.2-37.4167.300000112.8S60 R92 S93 L105S60-A89 WeakPolarHBondContact CB-O 3.32Å; S60-A89 WeakPolarHBondContact OG-CB 3.1Å; S60-A89 PolarHBondContact OG-O 2.9Å; A89-R92 PolarHBondContact O-N 3.2Å; A89-S93 PolarHBondContact O-N 3.11Å; A89-S93 PolarHBondContact O-OG 3.49Å; A89-L105 HydrophobicContact CB-CD1 4.05Å; A89-L105 HydrophobicContact CB-CD2 4.2Å
90L96.1Very high93.6Very high1 Ų149 Ų491%0.00524%0.243CC..Hα-helixtrans-70-43.7-179.9-176.458.3000112.4T88 R92 S93 V94 V102 L105 L106 V110 L112 P122T88-L90 PolarHBondContact O-N 3.33Å; T88-L90 PolarHBondContact OG1-N 3.18Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3Å; L90-S93 PolarHBondContact O-N 2.9Å; L90-V94 HydrophobicContact CD1-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CB 3.47Å; L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 2.69Å; L90-V102 HydrophobicContact CD1-CB 4.36Å; L90-V102 HydrophobicContact CD1-CG1 3.96Å; L90-V102 HydrophobicContact CD1-CG2 4.39Å; L90-L105 HydrophobicContact CB-CD1 4.02Å; L90-L105 HydrophobicContact CD1-CB 4.12Å; L90-L105 HydrophobicContact CD1-CD1 4.14Å; L90-L106 HydrophobicContact CD1-CD2 4.28Å; L90-L106 HydrophobicContact CD2-CD2 3.9Å; L90-V110 HydrophobicContact CB-CG1 4.02Å; L90-V110 HydrophobicContact CD2-CB 4.2Å; L90-V110 HydrophobicContact CD2-CG1 3.6Å; L90-V110 HydrophobicContact CG-CG1 4.46Å; L90-L112 HydrophobicContact CD2-CD2 4.08Å; L90-P122 HydrophobicContact CB-CG 4.27Å; L90-P122 HydrophobicContact CD2-CB 4.3Å; L90-P122 HydrophobicContact CD2-CG 3.92Å; L90-P122 HydrophobicContact CG-CB 3.93Å; L90-P122 HydrophobicContact CG-CG 3.8Å
91H94.8Very high93.7Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-56.8-44.8175.5-69.681.3000111.3W87 T88 V94 F95 M114 L120 P122 L125W87-H91 HydrophobicContact CB-CB 3.63Å; W87-H91 AromaticContact CD1-CD2 3.8Å; W87-H91 HydrophobicContact CD2-CB 3.91Å; W87-H91 HydrophobicContact CE3-CB 4.36Å; W87-H91 HydrophobicContact CG-CB 3.56Å; W87-H91 AromaticContact CG-CG 3.99Å; T88-H91 PolarHBondContact N-ND1 3.23Å; T88-H91 VanDerWaalsContact N-ND1 3.2Å; T88-H91 PolarHBondContact O-N 3.27Å; T88-H91 PolarHBondContact OG1-ND1 2.87Å; H91-V94 PolarHBondContact O-N 2.71Å; H91-F95 WeakPolarHBondContact O-CB 3.36Å; H91-F95 PolarHBondContact O-N 2.85Å; H91-M114 PolarHBondContact CE1-O 3.11Å; H91-M114 PolarHBondContact NE2-O 3.09Å; H91-L120 PolarHBondContact NE2-O 3.34Å; H91-P122 WeakPolarHBondContact NE2-CD 3.44Å; H91-L125 HydrophobicContact CB-CD1 3.99Å
92R94.4Very high93.7Very high20 Ų2045.3 Ų45.38%0.07523%0.229CC..Hα-helixtrans-66-46.9178.8-72.6170.3170.7-79.6-8.9112.1S61 D82 W87 T88 A89 L90 V94 F95 Y96S61-R92 WeakPolarHBondContact OG-CD 3.49Å; S61-R92 PolarHBondContact OG-NH1 2.78Å; D82-R92 IonicContact OD2-CZ 2.78Å; D82-R92 IonicContact OD2-NE 2.7Å; D82-R92 PolarHBondContact OD2-NE 2.82Å; D82-R92 IonicContact OD2-NH2 3.27Å; D82-R92 PolarHBondContact OD2-NH2 2.93Å; W87-R92 HydrophobicContact CB-CG 4.46Å; W87-R92 HydrophobicContact CE3-CG 3.84Å; T88-R92 PolarHBondContact O-N 2.94Å; A89-R92 PolarHBondContact O-N 3.2Å; L90-R92 VanDerWaalsContact C-N 3.28Å; L90-R92 PolarHBondContact O-N 3Å; R92-V94 PolarHBondContact O-N 3.27Å; R92-F95 PolarHBondContact O-N 2.87Å; R92-Y96 VanDerWaalsContact O-CD2 3.24Å; R92-Y96 WeakPolarHBondContact O-CD2 3.3Å; R92-Y96 PolarHBondContact O-N 2.76Å
93S94.9Very high93.7Very high0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-56.2-41.8177.2-57.80000111.3S60 A89 L90 G97 H98 C101 L105S60-S93 WeakPolarHBondContact CB-OG 3.34Å; S60-S93 PolarHBondContact OG-OG 2.82Å; A89-S93 PolarHBondContact O-N 3.11Å; A89-S93 PolarHBondContact O-OG 3.49Å; L90-S93 PolarHBondContact O-N 2.9Å; S93-G97 PolarHBondContact O-N 3.36Å; S93-H98 PolarHBondContact O-N 2.79Å; S93-C101 WeakPolarHBondContact OG-CB 3.37Å; S93-L105 WeakPolarHBondContact OG-CD1 3.4Å
94V92.3Very high93.9Very high8 Ų847.5 Ų47.55%0.04823%0.234CC..Hα-helixtrans-67.8-52177.91650000111.8L90 H91 R92 Y96 G97 V102 P122 L125 L126L90-V94 HydrophobicContact CD1-CG2 4.27Å; L90-V94 WeakPolarHBondContact O-CB 3.47Å; L90-V94 WeakPolarHBondContact O-CG2 3.48Å; L90-V94 PolarHBondContact O-N 2.69Å; H91-V94 PolarHBondContact O-N 2.71Å; R92-V94 PolarHBondContact O-N 3.27Å; V94-Y96 VanDerWaalsContact C-N 3.28Å; V94-Y96 PolarHBondContact O-N 2.89Å; V94-G97 PolarHBondContact O-N 2.81Å; V94-V102 HydrophobicContact CB-CG2 4.46Å; V94-V102 HydrophobicContact CG2-CG1 4.31Å; V94-V102 HydrophobicContact CG2-CG2 3.62Å; V94-P122 HydrophobicContact CB-CB 4.45Å; V94-P122 VanDerWaalsContact CG1-O 3.26Å; V94-P122 WeakPolarHBondContact CG1-O 3.41Å; V94-P122 HydrophobicContact CG2-CB 3.99Å; V94-L125 HydrophobicContact CG1-CB 4.34Å; V94-L126 HydrophobicContact CG1-CD1 4.24Å; V94-L126 HydrophobicContact CG1-CD2 3.55Å; V94-L126 HydrophobicContact CG1-CG 3.43Å; V94-L126 VanDerWaalsContact CG1-CG 3.43Å
95F90.4Very high94.1Very high105 Ų10541.3 Ų41.346%0.46121%0.205SC..Hα-helixtrans-59.2-37.5-176.6-179.3-96.2000112.8W87 H91 R92W87-F95 HydrophobicContact CH2-CB 3.99Å; W87-F95 HydrophobicContact CH2-CD1 4.01Å; W87-F95 AromaticContact CH2-CD2 3.47Å; W87-F95 HydrophobicContact CH2-CD2 3.47Å; W87-F95 VanDerWaalsContact CH2-CD2 3.47Å; W87-F95 HydrophobicContact CH2-CE1 4.38Å; W87-F95 AromaticContact CH2-CE2 3.88Å; W87-F95 HydrophobicContact CH2-CE2 3.88Å; W87-F95 AromaticContact CH2-CG 3.53Å; W87-F95 HydrophobicContact CH2-CG 3.53Å; W87-F95 HydrophobicContact CH2-CZ 4.32Å; W87-F95 HydrophobicContact CZ2-CD2 4.34Å; W87-F95 HydrophobicContact CZ3-CB 3.83Å; W87-F95 AromaticContact CZ3-CD1 3.89Å; W87-F95 HydrophobicContact CZ3-CD1 3.89Å; W87-F95 HydrophobicContact CZ3-CD2 4.11Å; W87-F95 HydrophobicContact CZ3-CE1 4.5Å; W87-F95 AromaticContact CZ3-CG 3.66Å; W87-F95 HydrophobicContact CZ3-CG 3.66Å; H91-F95 WeakPolarHBondContact O-CB 3.36Å; H91-F95 PolarHBondContact O-N 2.85Å; R92-F95 PolarHBondContact O-N 2.87Å
96Y90.6Very high94.3Very high116 Ų11642.6 Ų42.646%0.45521%0.209SC..THydrogen-bonded Turntrans-89.44.4177.8-67.8-71.8000113.9R92 V94 H98R92-Y96 VanDerWaalsContact O-CD2 3.24Å; R92-Y96 WeakPolarHBondContact O-CD2 3.3Å; R92-Y96 PolarHBondContact O-N 2.76Å; V94-Y96 VanDerWaalsContact C-N 3.28Å; V94-Y96 PolarHBondContact O-N 2.89Å; Y96-H98 VanDerWaalsContact CB-CD2 3.48Å; Y96-H98 WeakPolarHBondContact CB-CD2 3.42Å; Y96-H98 PolarHBondContact O-N 3.33Å
97G90.2Very high94.4Very high53 Ų5350.6 Ų50.655%0.54624%0.243SC..THydrogen-bonded Turntrans73.321.3175.900000115.3S93 V94 I99S93-G97 PolarHBondContact O-N 3.36Å; V94-G97 PolarHBondContact O-N 2.81Å; G97-I99 PolarHBondContact O-N 3.44Å; G97-I99 VanDerWaalsContact O-N 3.1Å
98H94.8Very high94.3Very high56 Ų5653.5 Ų53.526%0.25926%0.258SS..  trans-86.375.1-178.7-61.4-48.8000112.2S60 S61 G63 S93 Y96 D100 C101 V102S60-H98 PolarHBondContact O-CD2 3.31Å; S61-H98 PolarHBondContact O-NE2 2.84Å; S61-H98 VanDerWaalsContact O-NE2 3.16Å; G63-H98 PolarHBondContact N-CD2 3.49Å; G63-H98 VanDerWaalsContact N-CD2 3.26Å; G63-H98 PolarHBondContact N-NE2 2.99Å; S93-H98 PolarHBondContact O-N 2.79Å; Y96-H98 VanDerWaalsContact CB-CD2 3.48Å; Y96-H98 WeakPolarHBondContact CB-CD2 3.42Å; Y96-H98 PolarHBondContact O-N 3.33Å; H98-D100 PolarHBondContact O-N 2.85Å; H98-C101 HydrophobicContact CB-CB 4.23Å; H98-C101 PolarHBondContact O-N 3.12Å; H98-V102 WeakPolarHBondContact O-CG2 3.33Å; H98-V102 PolarHBondContact O-N 3.24Å; H98-V102 VanDerWaalsContact O-N 3.08Å
99I92.9Very high94.1Very high136 Ų13656.7 Ų56.770%0.69729%0.291SS*.Hα-helixtrans-54.6-37.8-175.3-60.7174.3000112.6G97 C101 V102 W103G97-I99 PolarHBondContact O-N 3.44Å; G97-I99 VanDerWaalsContact O-N 3.1Å; I99-C101 PolarHBondContact O-N 3.17Å; I99-V102 WeakPolarHBondContact O-CB 3.48Å; I99-V102 PolarHBondContact O-N 3.15Å; I99-W103 WeakPolarHBondContact O-CB 3.43Å; I99-W103 PolarHBondContact O-N 3.34Å
100D95.8Very high93.9Very high93 Ų9357 Ų5750%0.49729%0.292SS..Hα-helixtrans-60-42.5177.2-91.4-55.9000113.6K65 H98 S104K65-D100 HydrophobicContact CB-CB 4.22Å; K65-D100 HydrophobicContact CD-CB 3.9Å; K65-D100 HydrophobicContact CG-CB 4.23Å; K65-D100 IonicContact NZ-OD1 2.82Å; K65-D100 PolarHBondContact NZ-OD1 3.05Å; H98-D100 PolarHBondContact O-N 2.85Å; D100-S104 PolarHBondContact O-N 3.37Å; D100-S104 VanDerWaalsContact O-N 3.16Å
101C96.2Very high93.6Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-70.5-39.9175.6-68.40000111L68 S93 H98 I99 W103 S104 L105L68-C101 HydrophobicContact CD2-CB 3.74Å; S93-C101 WeakPolarHBondContact OG-CB 3.37Å; H98-C101 HydrophobicContact CB-CB 4.23Å; H98-C101 PolarHBondContact O-N 3.12Å; I99-C101 PolarHBondContact O-N 3.17Å; C101-W103 PolarHBondContact O-N 3.39Å; C101-S104 PolarHBondContact O-N 3.04Å; C101-L105 VanDerWaalsContact O-CG 3.26Å; C101-L105 WeakPolarHBondContact O-CG 3.21Å; C101-L105 PolarHBondContact O-N 2.94Å
102V95.1Very high93.3Very high24 Ų2461.9 Ų61.915%0.14532%0.323CS..Hα-helixtrans-55.4-53.4173.4175.20000110L90 V94 H98 I99 S104 L105 L106L90-V102 HydrophobicContact CD1-CB 4.36Å; L90-V102 HydrophobicContact CD1-CG1 3.96Å; L90-V102 HydrophobicContact CD1-CG2 4.39Å; V94-V102 HydrophobicContact CB-CG2 4.46Å; V94-V102 HydrophobicContact CG2-CG1 4.31Å; V94-V102 HydrophobicContact CG2-CG2 3.62Å; H98-V102 WeakPolarHBondContact O-CG2 3.33Å; H98-V102 PolarHBondContact O-N 3.24Å; H98-V102 VanDerWaalsContact O-N 3.08Å; I99-V102 WeakPolarHBondContact O-CB 3.48Å; I99-V102 PolarHBondContact O-N 3.15Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 3.49Å; V102-L105 PolarHBondContact O-N 3.37Å; V102-L106 HydrophobicContact CG1-CD1 3.89Å; V102-L106 HydrophobicContact CG1-CG 4.27Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 2.64Å
103W95.2Very high92.9Very high179 Ų17968.1 Ų68.168%0.67835%0.347SS*.Hα-helixtrans-58.7-43.2-178.5-172-93.8000112.5I99 C101 L106 K107I99-W103 WeakPolarHBondContact O-CB 3.43Å; I99-W103 PolarHBondContact O-N 3.34Å; C101-W103 PolarHBondContact O-N 3.39Å; W103-L106 PolarHBondContact O-N 3.15Å; W103-K107 WeakPolarHBondContact O-CB 3.16Å; W103-K107 PolarHBondContact O-N 2.83Å
104S95.9Very high92.4Very high6 Ų670.2 Ų70.24%0.04236%0.358CS..Hα-helixtrans-61.2-45.9176.7177.70000112.6D69 D100 C101 V102 L106 K107 H108D69-S104 WeakPolarHBondContact OD1-CB 3.19Å; D69-S104 PolarHBondContact OD1-OG 3.41Å; D100-S104 PolarHBondContact O-N 3.37Å; D100-S104 VanDerWaalsContact O-N 3.16Å; C101-S104 PolarHBondContact O-N 3.04Å; V102-S104 VanDerWaalsContact C-N 3.33Å; V102-S104 PolarHBondContact O-N 3.49Å; S104-L106 PolarHBondContact O-N 2.81Å; S104-K107 WeakPolarHBondContact O-CB 3.42Å; S104-K107 PolarHBondContact O-N 2.83Å; S104-H108 PolarHBondContact O-N 2.96Å; S104-H108 PolarHBondContact O-ND1 3.47Å
105L95.8Very high92.2Very high0 Ų074.4 Ų74.40%038%0.377CS..Hα-helixtrans-64-40.3179.3-69167.6000112L68 I72 L78 A89 L90 S93 C101 V102 H108 V110L68-L105 HydrophobicContact CD1-CD2 4.33Å; L68-L105 HydrophobicContact CD2-CD1 4.15Å; L68-L105 HydrophobicContact CD2-CD2 4.16Å; L68-L105 HydrophobicContact CD2-CG 3.94Å; I72-L105 HydrophobicContact CD1-CD2 4.37Å; L78-L105 HydrophobicContact CD1-CD2 3.97Å; L78-L105 HydrophobicContact CD2-CD2 3.59Å; L78-L105 HydrophobicContact CG-CD2 4.27Å; A89-L105 HydrophobicContact CB-CD1 4.05Å; A89-L105 HydrophobicContact CB-CD2 4.2Å; L90-L105 HydrophobicContact CB-CD1 4.02Å; L90-L105 HydrophobicContact CD1-CB 4.12Å; L90-L105 HydrophobicContact CD1-CD1 4.14Å; S93-L105 WeakPolarHBondContact OG-CD1 3.4Å; C101-L105 VanDerWaalsContact O-CG 3.26Å; C101-L105 WeakPolarHBondContact O-CG 3.21Å; C101-L105 PolarHBondContact O-N 2.94Å; V102-L105 PolarHBondContact O-N 3.37Å; L105-H108 PolarHBondContact O-N 3.02Å; L105-V110 HydrophobicContact CB-CB 4.44Å; L105-V110 HydrophobicContact CB-CG2 4.28Å; L105-V110 HydrophobicContact CD2-CG2 4.45Å; L105-V110 WeakPolarHBondContact O-CB 3.32Å; L105-V110 VanDerWaalsContact O-CG2 3.31Å; L105-V110 WeakPolarHBondContact O-CG2 3.29Å; L105-V110 PolarHBondContact O-N 2.76Å
106L94.9Very high92.1Very high56 Ų5670.1 Ų70.129%0.29336%0.359SS..Hα-helixtrans-65.9-39.7176.6-64.5-178.5000112.2L90 V102 W103 S104 H108 G109 V110 L112L90-L106 HydrophobicContact CD1-CD2 4.28Å; L90-L106 HydrophobicContact CD2-CD2 3.9Å; V102-L106 HydrophobicContact CG1-CD1 3.89Å; V102-L106 HydrophobicContact CG1-CG 4.27Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 2.64Å; W103-L106 PolarHBondContact O-N 3.15Å; S104-L106 PolarHBondContact O-N 2.81Å; L106-H108 PolarHBondContact O-N 3.5Å; L106-G109 PolarHBondContact O-N 3.43Å; L106-V110 WeakPolarHBondContact CD2-O 3.3Å; L106-L112 HydrophobicContact CD1-CD1 4.18Å; L106-L112 HydrophobicContact CD1-CD2 4.36Å; L106-L112 HydrophobicContact CD1-CG 4.38Å; L106-L112 HydrophobicContact CD2-CD1 4.14Å; L106-L112 HydrophobicContact CD2-CD2 3.81Å; L106-L112 HydrophobicContact CD2-CG 3.56Å
107K95.4Very high92Very high170 Ų17070.9 Ų70.974%0.73936%0.364SS*.Hα-helixtrans-57.8-30.4175.3-171.8-178.6178.1-173.90112.2W103 S104 G109W103-K107 WeakPolarHBondContact O-CB 3.16Å; W103-K107 PolarHBondContact O-N 2.83Å; S104-K107 WeakPolarHBondContact O-CB 3.42Å; S104-K107 PolarHBondContact O-N 2.83Å; K107-G109 VanDerWaalsContact C-N 3.33Å
108H93.9Very high91.6Very high98 Ų9873.9 Ų73.945%0.45436%0.364SS..THydrogen-bonded Turntrans-92.917.3177.3-64.992.8000113.7L78 S104 L105 L106L78-H108 HydrophobicContact CD1-CB 4.06Å; S104-H108 PolarHBondContact O-N 2.96Å; S104-H108 PolarHBondContact O-ND1 3.47Å; L105-H108 PolarHBondContact O-N 3.02Å; L106-H108 PolarHBondContact O-N 3.5Å
109G90.6Very high90.9Very high66 Ų6671.4 Ų71.468%0.6835%0.353SS*.THydrogen-bonded Turntrans82.512.4169.300000115.6L106 K107 S111L106-G109 PolarHBondContact O-N 3.43Å; K107-G109 VanDerWaalsContact C-N 3.33Å; G109-S111 PolarHBondContact O-N 3.33Å
110V92.6Very high90.4Very high10 Ų1065.1 Ų65.16%0.06132%0.321CS..  trans-68.4126.5174.4-1740000109.6L78 L90 L105 L106L78-V110 HydrophobicContact CB-CG2 3.61Å; L78-V110 HydrophobicContact CD1-CG2 3.56Å; L78-V110 HydrophobicContact CG-CG2 4.22Å; L90-V110 HydrophobicContact CB-CG1 4.02Å; L90-V110 HydrophobicContact CD2-CB 4.2Å; L90-V110 HydrophobicContact CD2-CG1 3.6Å; L90-V110 HydrophobicContact CG-CG1 4.46Å; L105-V110 HydrophobicContact CB-CB 4.44Å; L105-V110 HydrophobicContact CB-CG2 4.28Å; L105-V110 HydrophobicContact CD2-CG2 4.45Å; L105-V110 WeakPolarHBondContact O-CB 3.32Å; L105-V110 VanDerWaalsContact O-CG2 3.31Å; L105-V110 WeakPolarHBondContact O-CG2 3.29Å; L105-V110 PolarHBondContact O-N 2.76Å; L106-V110 WeakPolarHBondContact CD2-O 3.3Å
111S88.8Confident90Very high57 Ų5760.9 Ų60.940%0.39930%0.299SS..  trans-75.6131.9-178.5179.70000112.3G109 Y113G109-S111 PolarHBondContact O-N 3.33Å; S111-Y113 PolarHBondContact O-N 3.03Å; S111-Y113 PolarHBondContact OG-N 3Å; S111-Y113 VanDerWaalsContact OG-N 3.15Å
112L88.3Confident89.6Confident47 Ų4760.9 Ų60.925%0.24630%0.299CS..THydrogen-bonded Turntrans-67.4-8169.5-76.2168.6000113.9L90 L106 S121 P122L90-L112 HydrophobicContact CD2-CD2 4.08Å; L106-L112 HydrophobicContact CD1-CD1 4.18Å; L106-L112 HydrophobicContact CD1-CD2 4.36Å; L106-L112 HydrophobicContact CD1-CG 4.38Å; L106-L112 HydrophobicContact CD2-CD1 4.14Å; L106-L112 HydrophobicContact CD2-CD2 3.81Å; L106-L112 HydrophobicContact CD2-CG 3.56Å; L112-S121 WeakPolarHBondContact O-CB 3.21Å; L112-S121 PolarHBondContact O-OG 3.01Å; L112-P122 HydrophobicContact CD2-CB 4.35Å; L112-P122 WeakPolarHBondContact O-CD 3.33Å
113Y85.7Confident89.1Confident150 Ų15062 Ų6259%0.58830%0.303SS*.THydrogen-bonded Turntrans-106.78.2-175.1-55.9-73.8000113.1S111 Q115 L123S111-Y113 PolarHBondContact O-N 3.03Å; S111-Y113 PolarHBondContact OG-N 3Å; S111-Y113 VanDerWaalsContact OG-N 3.15Å; Y113-Q115 PolarHBondContact O-N 3.43Å; Y113-L123 HydrophobicContact CE1-CD2 4.24Å
114M85.8Confident88.3Confident45 Ų4554.2 Ų54.222%0.22228%0.275CS..  trans-69.8122.2176.9-179.9166.5-65.700110.2L79 K81 T88 H91 S121 P122L79-M114 HydrophobicContact CB-CE 4.3Å; L79-M114 HydrophobicContact CD2-CE 3.8Å; L79-M114 HydrophobicContact CG-CE 4.45Å; K81-M114 VanDerWaalsContact CE-SD 3.55Å; T88-M114 HydrophobicContact CG2-SD 3.54Å; T88-M114 VanDerWaalsContact CG2-SD 3.54Å; H91-M114 PolarHBondContact CE1-O 3.11Å; H91-M114 PolarHBondContact NE2-O 3.09Å; M114-S121 WeakPolarHBondContact O-CA 3.47Å; M114-P122 VanDerWaalsContact O-CD 3.3Å; M114-P122 WeakPolarHBondContact O-CD 3.35Å
115Q87Confident87.6Confident96 Ų9654.5 Ų54.545%0.44928%0.276SS..  trans-84.6138.6-176.9-66-178.9-34.300112.8K81 Y113 G119 L120K81-Q115 PolarHBondContact NZ-O 3.1Å; Y113-Q115 PolarHBondContact O-N 3.43Å; Q115-G119 WeakPolarHBondContact CG-O 3.36Å; Q115-G119 PolarHBondContact NE2-O 3.33Å; Q115-L120 CarbonylContact C-O 3.59Å; Q115-L120 WeakPolarHBondContact CA-O 3.41Å
116D89.1Confident86.6Confident15 Ų1558.9 Ų58.98%0.0830%0.299CS..  trans-76.5-166.1168.273.75.3000112.4W87 E118 G119 L120W87-D116 PolarHBondContact NE1-OD2 3.03Å; D116-E118 VanDerWaalsContact C-N 3.31Å; D116-E118 WeakPolarHBondContact OD1-CA 3.49Å; D116-E118 WeakPolarHBondContact OD1-CB 3.47Å; D116-E118 PolarHBondContact OD1-N 2.84Å; D116-G119 PolarHBondContact O-N 2.84Å; D116-G119 PolarHBondContact OD1-N 2.86Å; D116-L120 PolarHBondContact N-O 3.4Å; D116-L120 PolarHBondContact OD1-N 2.87Å
117K87.8Confident85.3Confident131 Ų13158.2 Ų58.257%0.5730%0.295SS*.THydrogen-bonded Turntrans-71.1-24.6177.7-71.4-178.7-178.3-179.20114K83 E84 S85 G119K83-K117 WeakPolarHBondContact O-CE 3.33Å; K83-K117 PolarHBondContact O-NZ 2.86Å; E84-K117 WeakPolarHBondContact O-CD 3.43Å; E84-K117 WeakPolarHBondContact O-CE 3.44Å; E84-K117 PolarHBondContact O-NZ 2.74Å; S85-K117 VanDerWaalsContact O-CB 3.3Å; S85-K117 WeakPolarHBondContact O-CB 3.4Å; S85-K117 WeakPolarHBondContact O-CG 3.22Å; S85-K117 PolarHBondContact O-N 2.82Å; K117-G119 VanDerWaalsContact C-N 3.26Å
118E81.6Confident83.9Confident117 Ų11755.9 Ų55.955%0.54729%0.285SS..THydrogen-bonded Turntrans-84-6.4174.7-62.4-171.1-179.900111.9D116 L120 K128D116-E118 VanDerWaalsContact C-N 3.31Å; D116-E118 WeakPolarHBondContact OD1-CA 3.49Å; D116-E118 WeakPolarHBondContact OD1-CB 3.47Å; D116-E118 PolarHBondContact OD1-N 2.84Å; E118-L120 HydrophobicContact CB-CD1 4.35Å; E118-L120 HydrophobicContact CB-CG 4.25Å; E118-K128 IonicContact OE2-NZ 3.42Å
119G80.7Confident82.4Confident3 Ų357.9 Ų57.93%0.03130%0.299CS..SBendtrans87.69.4-177.300000113.6Q115 D116 K117Q115-G119 WeakPolarHBondContact CG-O 3.36Å; Q115-G119 PolarHBondContact NE2-O 3.33Å; D116-G119 PolarHBondContact O-N 2.84Å; D116-G119 PolarHBondContact OD1-N 2.86Å; K117-G119 VanDerWaalsContact C-N 3.26Å
120L82.5Confident80.8Confident4 Ų459.9 Ų59.92%0.02129%0.286CS..  trans-88.2134.8-178.6-60.9175.2000110.8H91 Q115 D116 E118 D124 L125 K128H91-L120 PolarHBondContact NE2-O 3.34Å; Q115-L120 CarbonylContact C-O 3.59Å; Q115-L120 WeakPolarHBondContact CA-O 3.41Å; D116-L120 PolarHBondContact N-O 3.4Å; D116-L120 PolarHBondContact OD1-N 2.87Å; E118-L120 HydrophobicContact CB-CD1 4.35Å; E118-L120 HydrophobicContact CB-CG 4.25Å; L120-D124 WeakPolarHBondContact CA-OD2 3.3Å; L120-D124 HydrophobicContact CB-CB 4.18Å; L120-D124 HydrophobicContact CD2-CB 3.96Å; L120-L125 HydrophobicContact CB-CD2 4.46Å; L120-L125 HydrophobicContact CD1-CD2 4.02Å; L120-K128 HydrophobicContact CD1-CD 4.36Å
121S87.5Confident79Confident4 Ų463.8 Ų63.83%0.02831%0.312CS..  trans-84.6163.8169.786.60000111.8L112 M114 L123 D124 L125L112-S121 WeakPolarHBondContact O-CB 3.21Å; L112-S121 PolarHBondContact O-OG 3.01Å; M114-S121 WeakPolarHBondContact O-CA 3.47Å; S121-L123 PolarHBondContact O-N 2.83Å; S121-L123 WeakPolarHBondContact OG-CB 3.19Å; S121-L123 PolarHBondContact OG-N 3.05Å; S121-D124 VanDerWaalsContact N-CG 3.31Å; S121-D124 PolarHBondContact N-OD2 2.88Å; S121-D124 WeakPolarHBondContact O-CB 3.37Å; S121-D124 PolarHBondContact O-N 2.96Å; S121-D124 PolarHBondContact OG-N 2.79Å; S121-D124 PolarHBondContact OG-OD1 3.04Å; S121-L125 PolarHBondContact O-N 3.5Å
122P88.1Confident77.3Confident0 Ų067.5 Ų67.50%033%0.332CS..Hα-helixtrans-52.1-40169.3-25.832.4000112.1L90 H91 V94 L112 M114 D124 L125 L126L90-P122 HydrophobicContact CB-CG 4.27Å; L90-P122 HydrophobicContact CD2-CB 4.3Å; L90-P122 HydrophobicContact CD2-CG 3.92Å; L90-P122 HydrophobicContact CG-CB 3.93Å; L90-P122 HydrophobicContact CG-CG 3.8Å; H91-P122 WeakPolarHBondContact NE2-CD 3.44Å; V94-P122 HydrophobicContact CB-CB 4.45Å; V94-P122 VanDerWaalsContact CG1-O 3.26Å; V94-P122 WeakPolarHBondContact CG1-O 3.41Å; V94-P122 HydrophobicContact CG2-CB 3.99Å; L112-P122 HydrophobicContact CD2-CB 4.35Å; L112-P122 WeakPolarHBondContact O-CD 3.33Å; M114-P122 VanDerWaalsContact O-CD 3.3Å; M114-P122 WeakPolarHBondContact O-CD 3.35Å; P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.33Å; P122-L125 PolarHBondContact O-N 2.89Å; P122-L126 PolarHBondContact O-N 2.77Å
123L83.9Confident75.4Confident47 Ų4773 Ų7325%0.24636%0.356CS..Hα-helixtrans-63.7-34.3177.3-174.963000112.3Y113 S121 L125 L126Y113-L123 HydrophobicContact CE1-CD2 4.24Å; S121-L123 PolarHBondContact O-N 2.83Å; S121-L123 WeakPolarHBondContact OG-CB 3.19Å; S121-L123 PolarHBondContact OG-N 3.05Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L126 HydrophobicContact CD1-CD1 4.17Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 3.39Å
124D79.1Confident73.9Confident16 Ų1669 Ų699%0.08635%0.347CS..Hα-helixtrans-69.6-34179.6-50.9-4000110.8L120 S121 P122 L126 M127 L482L120-D124 WeakPolarHBondContact CA-OD2 3.3Å; L120-D124 HydrophobicContact CB-CB 4.18Å; L120-D124 HydrophobicContact CD2-CB 3.96Å; S121-D124 VanDerWaalsContact N-CG 3.31Å; S121-D124 PolarHBondContact N-OD2 2.88Å; S121-D124 WeakPolarHBondContact O-CB 3.37Å; S121-D124 PolarHBondContact O-N 2.96Å; S121-D124 PolarHBondContact OG-N 2.79Å; S121-D124 PolarHBondContact OG-OD1 3.04Å; P122-D124 VanDerWaalsContact C-N 3.28Å; P122-D124 PolarHBondContact O-N 3.33Å; D124-L126 VanDerWaalsContact C-N 3.34Å; D124-L126 PolarHBondContact O-N 2.65Å; D124-M127 PolarHBondContact O-N 2.92Å; D124-M127 VanDerWaalsContact O-N 3.15Å; D124-L482 HydrophobicContact CB-CD2 4.29Å; D124-L482 VanDerWaalsContact CG-CD2 3.42Å; D124-L482 WeakPolarHBondContact OD1-CD2 3.32Å
125L80.8Confident72.3Confident12 Ų1272.8 Ų72.86%0.06337%0.372CS..Hα-helixtrans-64.8-35.1176.9-66.9177.7000112.6W87 H91 V94 L120 S121 P122 L123 M127 K128W87-L125 HydrophobicContact CD2-CD1 4.38Å; W87-L125 HydrophobicContact CH2-CD1 4.29Å; W87-L125 HydrophobicContact CZ2-CD1 3.75Å; W87-L125 HydrophobicContact CZ2-CD2 3.94Å; H91-L125 HydrophobicContact CB-CD1 3.99Å; V94-L125 HydrophobicContact CG1-CB 4.34Å; L120-L125 HydrophobicContact CB-CD2 4.46Å; L120-L125 HydrophobicContact CD1-CD2 4.02Å; S121-L125 PolarHBondContact O-N 3.5Å; P122-L125 PolarHBondContact O-N 2.89Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L125-M127 PolarHBondContact O-N 3.48Å; L125-K128 PolarHBondContact O-N 2.74Å
126L75.3Confident70.7Confident93 Ų9371.3 Ų71.349%0.48737%0.365SS..Hα-helixtrans-58.6-28.4174.1-74.1170.9000112.5V94 P122 L123 D124V94-L126 HydrophobicContact CG1-CD1 4.24Å; V94-L126 HydrophobicContact CG1-CD2 3.55Å; V94-L126 HydrophobicContact CG1-CG 3.43Å; V94-L126 VanDerWaalsContact CG1-CG 3.43Å; P122-L126 PolarHBondContact O-N 2.77Å; L123-L126 HydrophobicContact CD1-CD1 4.17Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 3.39Å; D124-L126 VanDerWaalsContact C-N 3.34Å; D124-L126 PolarHBondContact O-N 2.65Å
127M66.9Low69.2Low41 Ų4178.2 Ų78.220%0.20239%0.394CS..Hα-helixtrans-84.7-23.7-175.2-63.1-62.6-56.500113D124 L125 L484 F488D124-M127 PolarHBondContact O-N 2.92Å; D124-M127 VanDerWaalsContact O-N 3.15Å; L125-M127 PolarHBondContact O-N 3.48Å; M127-L484 HydrophobicContact CB-CD1 4.45Å; M127-L484 HydrophobicContact CB-CD2 4.39Å; M127-L484 HydrophobicContact CE-CD2 3.59Å; M127-L484 HydrophobicContact CG-CD1 3.63Å; M127-L484 HydrophobicContact CG-CD2 3.52Å; M127-L484 HydrophobicContact CG-CG 4.23Å; M127-L484 HydrophobicContact SD-CD2 3.86Å; M127-F488 HydrophobicContact CE-CZ 4.44Å
128K66.9Low67.7Low122 Ų12278.3 Ų78.353%0.5340%0.401SS..Hα-helixtrans-71.2-30.6177.9-82.2-168.3170.3-175.30113.3E118 L120 L125 R130E118-K128 IonicContact OE2-NZ 3.42Å; L120-K128 HydrophobicContact CD1-CD 4.36Å; L125-K128 PolarHBondContact O-N 2.74Å; K128-R130 VanDerWaalsContact C-N 3.26Å; K128-R130 PolarHBondContact O-N 2.86Å
129D60.7Low66.7Low140 Ų14077 Ų7775%0.74940%0.401SS*.THydrogen-bonded Turntrans-87.54.4-178-151.933.7000112.8
130R58.6Low66.1Low108 Ų10880.4 Ų80.441%0.40842%0.418SS..SBendtrans-70.6128.9176-167.1172.2-179.7171.41.9108.6K128 T132 F488K128-R130 VanDerWaalsContact C-N 3.26Å; K128-R130 PolarHBondContact O-N 2.86Å; R130-T132 PolarHBondContact O-N 3.06Å; R130-F488 VanDerWaalsContact CZ-CE2 3.45Å
131P53.8Low66Low92 Ų9282.3 Ų82.360%0.59743%0.431SS*.  trans-55.6140.9175.320.4-30.4000109.8H133P131-H133 HydrophobicContact CB-CB 4.38Å; P131-H133 PolarHBondContact O-N 3.35Å
132T53.6Low65.6Low134 Ų13483.7 Ų83.782%0.82244%0.439SS*.SBendtrans-59.814.3177.648.50000114.3R130 V134R130-T132 PolarHBondContact O-N 3.06Å; T132-V134 PolarHBondContact O-N 3Å
133H48.5Very low65.6Low164 Ų16489.1 Ų89.176%0.75946%0.464SS*.  trans-70.4-1.7-167.2-112.8-68.1000115.3P131 V135P131-H133 HydrophobicContact CB-CB 4.38Å; P131-H133 PolarHBondContact O-N 3.35Å; H133-V135 PolarHBondContact O-N 3.28Å
134V53Low65.8Low65 Ų6587.4 Ų87.439%0.39446%0.456SS..  trans-97.876.4168.2-1570000108.7T132 F136 F488T132-V134 PolarHBondContact O-N 3Å; V134-F136 HydrophobicContact CB-CE1 4.38Å; V134-F136 HydrophobicContact CB-CE2 3.86Å; V134-F136 HydrophobicContact CB-CZ 3.67Å; V134-F136 HydrophobicContact CG1-CD1 3.96Å; V134-F136 HydrophobicContact CG1-CD2 4.26Å; V134-F136 HydrophobicContact CG1-CE1 3.34Å; V134-F136 HydrophobicContact CG1-CE2 3.68Å; V134-F136 HydrophobicContact CG1-CG 4.32Å; V134-F136 HydrophobicContact CG1-CZ 3.09Å; V134-F136 VanDerWaalsContact O-CD2 3.24Å; V134-F136 WeakPolarHBondContact O-CD2 3.47Å; V134-F136 VanDerWaalsContact O-CE2 3.29Å; V134-F136 WeakPolarHBondContact O-CE2 3.17Å; V134-F136 PolarHBondContact O-N 3.4Å; V134-F136 VanDerWaalsContact O-N 3.1Å; V134-F488 HydrophobicContact CG2-CD2 4.31Å; V134-F488 HydrophobicContact CG2-CE2 4.01Å
135V51.8Low66.3Low124 Ų12489.8 Ų89.875%0.75246%0.464SS*.  trans-75.696167.1-179.30000107H133 K137H133-V135 PolarHBondContact O-N 3.28Å; V135-K137 PolarHBondContact O-N 2.99Å
136F54.9Low66.8Low66 Ų6689.4 Ų89.429%0.28946%0.462SS..  trans-71.1113.9174.4-57.8-84.5000109.5V134 F488 K490V134-F136 HydrophobicContact CB-CE1 4.38Å; V134-F136 HydrophobicContact CB-CE2 3.86Å; V134-F136 HydrophobicContact CB-CZ 3.67Å; V134-F136 HydrophobicContact CG1-CD1 3.96Å; V134-F136 HydrophobicContact CG1-CD2 4.26Å; V134-F136 HydrophobicContact CG1-CE1 3.34Å; V134-F136 HydrophobicContact CG1-CE2 3.68Å; V134-F136 HydrophobicContact CG1-CG 4.32Å; V134-F136 HydrophobicContact CG1-CZ 3.09Å; V134-F136 VanDerWaalsContact O-CD2 3.24Å; V134-F136 WeakPolarHBondContact O-CD2 3.47Å; V134-F136 VanDerWaalsContact O-CE2 3.29Å; V134-F136 WeakPolarHBondContact O-CE2 3.17Å; V134-F136 PolarHBondContact O-N 3.4Å; V134-F136 VanDerWaalsContact O-N 3.1Å; F136-F488 HydrophobicContact CE1-CB 3.68Å; F136-F488 HydrophobicContact CE2-CB 3.79Å; F136-F488 HydrophobicContact CE2-CD1 4.43Å; F136-F488 HydrophobicContact CE2-CG 4.06Å; F136-F488 HydrophobicContact CZ-CB 3.03Å; F136-F488 HydrophobicContact CZ-CD1 4.29Å; F136-F488 AromaticContact CZ-CD2 3.8Å; F136-F488 HydrophobicContact CZ-CD2 3.8Å; F136-F488 AromaticContact CZ-CG 3.5Å; F136-F488 HydrophobicContact CZ-CG 3.5Å; F136-K490 HydrophobicContact CB-CD 3.9Å; F136-K490 HydrophobicContact CG-CD 4.31Å; F136-K490 PolarHBondContact O-NZ 3.06Å
137K56.2Low67.6Low159 Ų15988.3 Ų88.369%0.69145%0.452SS*.  trans-69.4134167.9-64-178.7-178.9177.80108.7V135V135-K137 PolarHBondContact O-N 2.99Å
138D57.5Low68.6Low134 Ų13487.8 Ų87.872%0.71746%0.457SS*.SBendtrans-77.4-12.5169.3-72.1-36000111.7K490D138-K490 IonicContact OD1-NZ 3.57Å; D138-K490 PolarHBondContact OD1-NZ 3.35Å
139T61.1Low69.6Low88 Ų8886.4 Ų86.454%0.5446%0.455SS..SBendtrans-84.8135172.8590000109
140D68.1Low71.1Confident76 Ų7679.8 Ų79.841%0.40642%0.42SS..  trans64.550.6165-54.2-37.5000116.9T142 Y178D140-T142 PolarHBondContact O-N 2.84Å; D140-Y178 HydrophobicContact CB-CD1 3.46Å; D140-Y178 VanDerWaalsContact CB-CD1 3.46Å; D140-Y178 HydrophobicContact CB-CE1 3.36Å; D140-Y178 HydrophobicContact CB-CE2 4.41Å; D140-Y178 HydrophobicContact CB-CG 4.05Å; D140-Y178 VanDerWaalsContact O-CD1 3.28Å; D140-Y178 WeakPolarHBondContact O-CD1 3.49Å
141P78.9Confident72.6Confident43 Ų4377.9 Ų77.928%0.27942%0.42SS..  trans-71.199.517831.8-34.8000111.3Y178 V179P141-Y178 CarbonylContact O-C 3.55Å; P141-Y178 WeakPolarHBondContact O-CA 3.43Å; P141-V179 VanDerWaalsContact CG-O 3.25Å; P141-V179 WeakPolarHBondContact CG-O 3.13Å; P141-V179 PolarHBondContact O-N 3.18Å
142T80.9Confident74.2Confident34 Ų3475.1 Ų75.121%0.20940%0.401CS..  trans-88.1-16172.953.90000113.6D140 S173 Y178D140-T142 PolarHBondContact O-N 2.84Å; T142-S173 PolarHBondContact O-N 2.9Å; T142-Y178 HydrophobicContact CG2-CD1 3.31Å; T142-Y178 HydrophobicContact CG2-CE1 3.31Å
143E86.5Confident76.1Confident113 Ų11370.5 Ų70.553%0.52837%0.369SS..  trans-89114.9-175.9-62.2-173.8-178.700110.6Y145 L168E143-Y145 HydrophobicContact CB-CE2 3.74Å; E143-Y145 PolarHBondContact OE2-OH 2.89Å; E143-L168 HydrophobicContact CB-CD1 4.01Å; E143-L168 HydrophobicContact CG-CD1 4.21Å
144V89.5Confident78.2Confident12 Ų1263.2 Ų63.27%0.07334%0.336CS..  trans-116.1126.4172177.90000107.6T146 L169 F172 V179 V182 F191V144-T146 HydrophobicContact CG1-CG2 4.14Å; V144-L169 HydrophobicContact CB-CB 4.32Å; V144-L169 HydrophobicContact CG1-CB 4.45Å; V144-L169 HydrophobicContact CG1-CD2 4.28Å; V144-L169 WeakPolarHBondContact O-CB 2.97Å; V144-L169 PolarHBondContact O-N 3.21Å; V144-F172 HydrophobicContact CB-CD2 4.04Å; V144-F172 HydrophobicContact CB-CE2 4.49Å; V144-F172 HydrophobicContact CG2-CD2 3.75Å; V144-F172 HydrophobicContact CG2-CE2 4.25Å; V144-F172 HydrophobicContact CG2-CG 4.48Å; V144-V179 HydrophobicContact CG2-CB 3.75Å; V144-V179 HydrophobicContact CG2-CG1 4.01Å; V144-V179 HydrophobicContact CG2-CG2 3.77Å; V144-V182 HydrophobicContact CG1-CG2 4.38Å; V144-F191 HydrophobicContact CG1-CD1 4.22Å; V144-F191 HydrophobicContact CG1-CE1 3.89Å
145Y89.8Confident80.1Confident66 Ų6660.3 Ų60.326%0.25932%0.318SS..EExtended strand (participates in β ladder)trans-110.1130.1175.4-61.4-93.7000109.6E143 W147 E167 L168 L487E143-Y145 HydrophobicContact CB-CE2 3.74Å; E143-Y145 PolarHBondContact OE2-OH 2.89Å; Y145-W147 WeakPolarHBondContact O-CZ3 3.24Å; Y145-E167 VanDerWaalsContact CA-O 3.27Å; Y145-E167 WeakPolarHBondContact CA-O 3.29Å; Y145-L168 HydrophobicContact CD1-CB 4.08Å; Y145-L168 HydrophobicContact CE1-CB 3.78Å; Y145-L168 HydrophobicContact CE1-CD1 4.09Å; Y145-L168 HydrophobicContact CE1-CG 4.5Å; Y145-L168 HydrophobicContact CE2-CD1 4.39Å; Y145-L487 HydrophobicContact CD1-CD2 3.24Å; Y145-L487 HydrophobicContact CD2-CD2 4.46Å; Y145-L487 HydrophobicContact CE1-CD2 3.26Å; Y145-L487 HydrophobicContact CE2-CD2 4.48Å; Y145-L487 HydrophobicContact CG-CD2 3.89Å
146T91.1Very high82Confident3 Ų354.5 Ų54.52%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-128.1140.1176.862.30000110V144 L155 H157 E167 L169 F191V144-T146 HydrophobicContact CG1-CG2 4.14Å; T146-L155 PolarHBondContact OG1-O 3.13Å; T146-H157 PolarHBondContact O-NE2 3.37Å; T146-H157 PolarHBondContact OG1-CD2 3.38Å; T146-H157 PolarHBondContact OG1-NE2 3.37Å; T146-E167 PolarHBondContact N-O 3.02Å; T146-E167 PolarHBondContact O-N 3.49Å; T146-L169 HydrophobicContact CG2-CD2 4.29Å; T146-F191 HydrophobicContact CG2-CE1 4.44Å
147W90.9Very high83.8Confident71 Ų7153 Ų5327%0.26928%0.277SS..EExtended strand (participates in β ladder)trans-157.4173.6178.268102.7000111.9Y145 L155 K163 H165 P166 L489Y145-W147 WeakPolarHBondContact O-CZ3 3.24Å; W147-L155 WeakPolarHBondContact O-CD2 3.41Å; W147-K163 HydrophobicContact CB-CB 4.07Å; W147-H165 WeakPolarHBondContact CB-O 3.38Å; W147-P166 HydrophobicContact CD2-CB 3.91Å; W147-P166 HydrophobicContact CD2-CG 3.61Å; W147-P166 HydrophobicContact CE3-CB 3.54Å; W147-P166 HydrophobicContact CE3-CG 3.68Å; W147-P166 HydrophobicContact CG-CB 4.39Å; W147-P166 HydrophobicContact CG-CG 4.07Å; W147-P166 HydrophobicContact CH2-CG 4.38Å; W147-P166 HydrophobicContact CZ2-CG 4.29Å; W147-P166 HydrophobicContact CZ3-CB 4.03Å; W147-P166 HydrophobicContact CZ3-CG 4.08Å; W147-L489 HydrophobicContact CH2-CD1 3.51Å; W147-L489 HydrophobicContact CH2-CD2 4.19Å; W147-L489 HydrophobicContact CZ2-CD1 4.13Å; W147-L489 HydrophobicContact CZ3-CD1 4.26Å; W147-L489 HydrophobicContact CZ3-CD2 4.14Å
148G88.3Confident85.6Confident29 Ų2947.2 Ų47.230%0.29926%0.263SS..EExtended strand (participates in β ladder)trans111.2-154.9-178.600000112S162 K163G148-S162 WeakPolarHBondContact O-CA 3.26Å; G148-S162 WeakPolarHBondContact O-CB 3.43Å; G148-K163 WeakPolarHBondContact CA-O 3.46Å; G148-K163 PolarHBondContact N-O 3.37Å; G148-K163 PolarHBondContact O-N 2.63Å
149D87.8Confident87.1Confident94 Ų9442.5 Ų42.550%0.50324%0.241SC..  trans-72.1130.9177.9-173.460.7000111.2T151 S162D149-T151 WeakPolarHBondContact OD1-CG2 3.37Å; D149-T151 WeakPolarHBondContact OD2-CB 3.45Å; D149-T151 WeakPolarHBondContact OD2-CG2 3.29Å; D149-T151 PolarHBondContact OD2-N 2.92Å; D149-T151 PolarHBondContact OD2-OG1 2.76Å; D149-S162 PolarHBondContact OD1-OG 3.04Å
150N92Very high88.5Confident0 Ų043.3 Ų43.30%024%0.238CC..  trans-122.121.9-177.4-161.926.6000112.6N152 F153 T154 L155 S159 N161 S162N150-N152 PolarHBondContact O-N 3.37Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N150-F153 PolarHBondContact O-N 3.04Å; N150-F153 VanDerWaalsContact OD1-C 3.23Å; N150-F153 WeakPolarHBondContact OD1-CA 3.37Å; N150-T154 PolarHBondContact OD1-N 3.01Å; N150-L155 HydrophobicContact CB-CB 4.48Å; N150-L155 HydrophobicContact CB-CD1 3.61Å; N150-L155 HydrophobicContact CB-CG 3.74Å; N150-L155 WeakPolarHBondContact OD1-CG 3.17Å; N150-L155 PolarHBondContact OD1-N 3.31Å; N150-L155 VanDerWaalsContact OD1-N 3.09Å; N150-S159 PolarHBondContact ND2-O 2.8Å; N150-N161 WeakPolarHBondContact CB-O 3.44Å; N150-N161 PolarHBondContact ND2-O 2.9Å; N150-N161 VanDerWaalsContact ND2-O 3.12Å; N150-S162 PolarHBondContact N-OG 3.05Å
151T90.1Very high89.6Confident68 Ų6844.9 Ų44.942%0.41725%0.247SC..THydrogen-bonded Turntrans-56.8-26.7176.356.90000112.7D149 Q160D149-T151 WeakPolarHBondContact OD1-CG2 3.37Å; D149-T151 WeakPolarHBondContact OD2-CB 3.45Å; D149-T151 WeakPolarHBondContact OD2-CG2 3.29Å; D149-T151 PolarHBondContact OD2-N 2.92Å; D149-T151 PolarHBondContact OD2-OG1 2.76Å; T151-Q160 PolarHBondContact O-NE2 3.28Å
152N88.8Confident90.2Very high35 Ų3545 Ų4519%0.18725%0.248CC..THydrogen-bonded Turntrans-104.714.4-179.7-61.3-67.4000114N150 T154 K186 F187 H203N150-N152 PolarHBondContact O-N 3.37Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N152-T154 HydrophobicContact CB-CG2 4.08Å; N152-T154 PolarHBondContact O-N 2.96Å; N152-K186 VanDerWaalsContact CB-O 3.27Å; N152-K186 WeakPolarHBondContact CB-O 3.49Å; N152-K186 PolarHBondContact ND2-O 3.21Å; N152-F187 HydrophobicContact CB-CD1 4.13Å; N152-F187 WeakPolarHBondContact OD1-CD1 3.32Å; N152-F187 VanDerWaalsContact OD1-CE1 3.31Å; N152-F187 WeakPolarHBondContact OD1-CE1 3.21Å; N152-H203 PolarHBondContact O-CD2 2.63Å
153F92.3Very high90.6Very high36 Ų3645.1 Ų45.116%0.15825%0.246CC..SBendtrans60.127176.1-47.7-81.2000115.2N150 Q160 G202 H203 T216 L218N150-F153 PolarHBondContact O-N 3.04Å; N150-F153 VanDerWaalsContact OD1-C 3.23Å; N150-F153 WeakPolarHBondContact OD1-CA 3.37Å; F153-Q160 HydrophobicContact CD1-CB 4Å; F153-Q160 HydrophobicContact CD1-CG 3.91Å; F153-Q160 HydrophobicContact CE1-CB 3.46Å; F153-Q160 VanDerWaalsContact CE1-CB 3.46Å; F153-Q160 HydrophobicContact CE1-CG 3.34Å; F153-Q160 HydrophobicContact CZ-CB 4.25Å; F153-Q160 VanDerWaalsContact CZ-CD 3.42Å; F153-Q160 HydrophobicContact CZ-CG 3.7Å; F153-G202 VanDerWaalsContact O-CA 3.31Å; F153-G202 WeakPolarHBondContact O-CA 3.42Å; F153-G202 PolarHBondContact O-N 2.88Å; F153-H203 AromaticContact CD2-CE1 3.44Å; F153-H203 VanDerWaalsContact CD2-CE1 3.44Å; F153-H203 WeakPolarHBondContact CD2-CE1 3.49Å; F153-H203 AromaticContact CD2-NE2 3.56Å; F153-H203 AromaticContact CE2-CE1 3.46Å; F153-H203 VanDerWaalsContact CE2-CE1 3.46Å; F153-H203 WeakPolarHBondContact CE2-CE1 3.47Å; F153-H203 AromaticContact CE2-NE2 3.81Å; F153-T216 HydrophobicContact CB-CG2 4.17Å; F153-T216 HydrophobicContact CD2-CG2 3.78Å; F153-T216 HydrophobicContact CE2-CG2 4.37Å; F153-T216 HydrophobicContact CG-CG2 4.01Å; F153-L218 HydrophobicContact CB-CD2 3.84Å; F153-L218 HydrophobicContact CD1-CD2 3.23Å; F153-L218 HydrophobicContact CE1-CD2 3.79Å; F153-L218 HydrophobicContact CG-CD2 3.62Å
154T92.4Very high90.5Very high11 Ų1147.7 Ų47.77%0.06726%0.258CS..THydrogen-bonded Turntrans-81.7-13.1-173.651.40000113.4N150 N152 C185 S189N150-T154 PolarHBondContact OD1-N 3.01Å; N152-T154 HydrophobicContact CB-CG2 4.08Å; N152-T154 PolarHBondContact O-N 2.96Å; T154-C185 WeakPolarHBondContact CG2-O 3.26Å; T154-S189 WeakPolarHBondContact O-CB 3.38Å; T154-S189 PolarHBondContact O-OG 2.74Å
155L93Very high90.1Very high4 Ų452.4 Ų52.42%0.02128%0.279CS..THydrogen-bonded Turntrans-81.1-21.8-174.5-58.5-171000114.4T146 W147 N150 K163T146-L155 PolarHBondContact OG1-O 3.13Å; W147-L155 WeakPolarHBondContact O-CD2 3.41Å; N150-L155 HydrophobicContact CB-CB 4.48Å; N150-L155 HydrophobicContact CB-CD1 3.61Å; N150-L155 HydrophobicContact CB-CG 3.74Å; N150-L155 WeakPolarHBondContact OD1-CG 3.17Å; N150-L155 PolarHBondContact OD1-N 3.31Å; N150-L155 VanDerWaalsContact OD1-N 3.09Å; L155-K163 HydrophobicContact CD1-CB 4.1Å; L155-K163 HydrophobicContact CD1-CG 3.73Å
156G93.1Very high89.9Confident2 Ų249.6 Ų49.62%0.02127%0.268CS..  trans81.77.4175.900000116G158 L169 L218 V219G156-G158 VanDerWaalsContact C-N 3.27Å; G156-G158 PolarHBondContact O-N 2.79Å; G156-L169 WeakPolarHBondContact O-CD1 3.39Å; G156-L218 CarbonylContact C-O 3.54Å; G156-L218 VanDerWaalsContact CA-O 3.26Å; G156-L218 WeakPolarHBondContact CA-O 3.26Å; G156-V219 WeakPolarHBondContact O-CA 3.24Å
157H92.6Very high89.7Confident34 Ų3452.2 Ų52.216%0.15728%0.28CS..SBendtrans-83.815-176.7-67.4-60.8000114.9T146 S159 E167T146-H157 PolarHBondContact O-NE2 3.37Å; T146-H157 PolarHBondContact OG1-CD2 3.38Å; T146-H157 PolarHBondContact OG1-NE2 3.37Å; H157-S159 PolarHBondContact O-N 3.15Å; H157-S159 VanDerWaalsContact O-N 3.15Å; H157-E167 PolarHBondContact CE1-O 3.1Å
158G92.8Very high89.7Confident39 Ų3951.8 Ų51.840%0.40228%0.283SS..SBendtrans69.710.6179.900000114.9G156 L218G156-G158 VanDerWaalsContact C-N 3.27Å; G156-G158 PolarHBondContact O-N 2.79Å; G158-L218 WeakPolarHBondContact CA-O 3.29Å; G158-L218 PolarHBondContact N-O 3.17Å
159S90.1Very high89.8Confident34 Ų3450.5 Ų50.524%0.23827%0.27CS..SBendtrans-142.2166.6179.967.70000111.6N150 H157 N161N150-S159 PolarHBondContact ND2-O 2.8Å; H157-S159 PolarHBondContact O-N 3.15Å; H157-S159 VanDerWaalsContact O-N 3.15Å; S159-N161 VanDerWaalsContact C-N 3.32Å
160Q89.6Confident89.9Confident105 Ų10549.1 Ų49.149%0.49126%0.262SS..  trans-86.1-4.4172.5-156.8170.7-1.800113T151 F153 S162T151-Q160 PolarHBondContact O-NE2 3.28Å; F153-Q160 HydrophobicContact CD1-CB 4Å; F153-Q160 HydrophobicContact CD1-CG 3.91Å; F153-Q160 HydrophobicContact CE1-CB 3.46Å; F153-Q160 VanDerWaalsContact CE1-CB 3.46Å; F153-Q160 HydrophobicContact CE1-CG 3.34Å; F153-Q160 HydrophobicContact CZ-CB 4.25Å; F153-Q160 VanDerWaalsContact CZ-CD 3.42Å; F153-Q160 HydrophobicContact CZ-CG 3.7Å; Q160-S162 PolarHBondContact O-N 3.16Å
161N91.3Very high90Very high110 Ų11051.6 Ų51.659%0.58828%0.275SS*.  trans-69.3125-171.2-67.7-20.2000110N150 S159N150-N161 WeakPolarHBondContact CB-O 3.44Å; N150-N161 PolarHBondContact ND2-O 2.9Å; N150-N161 VanDerWaalsContact ND2-O 3.12Å; S159-N161 VanDerWaalsContact C-N 3.32Å
162S91.6Very high90.2Very high44 Ų4448.3 Ų48.331%0.30826%0.255SS..  trans-64.3146.2170.5-63.70000109.9G148 D149 N150 Q160G148-S162 WeakPolarHBondContact O-CA 3.26Å; G148-S162 WeakPolarHBondContact O-CB 3.43Å; D149-S162 PolarHBondContact OD1-OG 3.04Å; N150-S162 PolarHBondContact N-OG 3.05Å; Q160-S162 PolarHBondContact O-N 3.16Å
163K89.2Confident90.2Very high37 Ų3748.8 Ų48.816%0.16126%0.261CS..EExtended strand (participates in β ladder)trans-115122.7-179.4-53.8-56.7-166.3147.20109.2W147 G148 L155 H165 E167W147-K163 HydrophobicContact CB-CB 4.07Å; G148-K163 WeakPolarHBondContact CA-O 3.46Å; G148-K163 PolarHBondContact N-O 3.37Å; G148-K163 PolarHBondContact O-N 2.63Å; L155-K163 HydrophobicContact CD1-CB 4.1Å; L155-K163 HydrophobicContact CD1-CG 3.73Å; K163-H165 VanDerWaalsContact C-N 3.34Å; K163-E167 WeakPolarHBondContact CD-OE2 3.39Å; K163-E167 WeakPolarHBondContact CE-OE2 3.23Å; K163-E167 IonicContact NZ-OE1 3.75Å; K163-E167 PolarHBondContact NZ-OE1 3.17Å; K163-E167 IonicContact NZ-OE2 2.99Å; K163-E167 PolarHBondContact NZ-OE2 3.13Å
164H85.1Confident90.2Very high168 Ų16855.6 Ų55.678%0.77829%0.286SS*.EExtended strand (participates in β ladder)trans-86.3-9.7-177.6-61.5-64.3000113.4
165H81Confident90.2Very high111 Ų11158.3 Ų58.351%0.51431%0.305SS..EExtended strand (participates in β ladder)trans-134154.2173.854.276.3000109.3W147 K163 E167W147-H165 WeakPolarHBondContact CB-O 3.38Å; K163-H165 VanDerWaalsContact C-N 3.34Å; H165-E167 PolarHBondContact O-N 3.42Å
166P84.6Confident90.2Very high6 Ų659.8 Ų59.84%0.03932%0.321CS..EExtended strand (participates in β ladder)trans-51132.5171.5-24.232.2000111.4W147 H485 L487W147-P166 HydrophobicContact CD2-CB 3.91Å; W147-P166 HydrophobicContact CD2-CG 3.61Å; W147-P166 HydrophobicContact CE3-CB 3.54Å; W147-P166 HydrophobicContact CE3-CG 3.68Å; W147-P166 HydrophobicContact CG-CB 4.39Å; W147-P166 HydrophobicContact CG-CG 4.07Å; W147-P166 HydrophobicContact CH2-CG 4.38Å; W147-P166 HydrophobicContact CZ2-CG 4.29Å; W147-P166 HydrophobicContact CZ3-CB 4.03Å; W147-P166 HydrophobicContact CZ3-CG 4.08Å; P166-H485 VanDerWaalsContact CD-CD2 3.42Å; P166-H485 WeakPolarHBondContact CD-CD2 3.3Å; P166-H485 HydrophobicContact CG-CB 4.24Å; P166-L487 HydrophobicContact CB-CB 4.26Å; P166-L487 HydrophobicContact CB-CD1 3.48Å; P166-L487 VanDerWaalsContact CB-CD1 3.48Å; P166-L487 HydrophobicContact CB-CD2 3.78Å; P166-L487 HydrophobicContact CB-CG 3.98Å; P166-L487 HydrophobicContact CG-CB 4.35Å; P166-L487 HydrophobicContact CG-CD1 3.62Å; P166-L487 HydrophobicContact CG-CG 4.38Å
167E87.2Confident90.2Very high58 Ų5860.3 Ų60.327%0.27132%0.324SS..EExtended strand (participates in β ladder)trans-130.3135.6-179.2-175.1166.8153.400109.7Y145 T146 H157 K163 H165 L169Y145-E167 VanDerWaalsContact CA-O 3.27Å; Y145-E167 WeakPolarHBondContact CA-O 3.29Å; T146-E167 PolarHBondContact N-O 3.02Å; T146-E167 PolarHBondContact O-N 3.49Å; H157-E167 PolarHBondContact CE1-O 3.1Å; K163-E167 WeakPolarHBondContact CD-OE2 3.39Å; K163-E167 WeakPolarHBondContact CE-OE2 3.23Å; K163-E167 IonicContact NZ-OE1 3.75Å; K163-E167 PolarHBondContact NZ-OE1 3.17Å; K163-E167 IonicContact NZ-OE2 2.99Å; K163-E167 PolarHBondContact NZ-OE2 3.13Å; H165-E167 PolarHBondContact O-N 3.42Å; E167-L169 PolarHBondContact O-N 2.92Å
168L89.9Confident90.2Very high62 Ų6262.3 Ų62.333%0.32533%0.33SS..EExtended strand (participates in β ladder)trans-68122.3-177.5178.764.3000110E143 Y145 D170E143-L168 HydrophobicContact CB-CD1 4.01Å; E143-L168 HydrophobicContact CG-CD1 4.21Å; Y145-L168 HydrophobicContact CD1-CB 4.08Å; Y145-L168 HydrophobicContact CE1-CB 3.78Å; Y145-L168 HydrophobicContact CE1-CD1 4.09Å; Y145-L168 HydrophobicContact CE1-CG 4.5Å; Y145-L168 HydrophobicContact CE2-CD1 4.39Å; L168-D170 PolarHBondContact O-N 3.06Å
169L91.6Very high90.2Very high3 Ų360.9 Ų60.92%0.01631%0.314CS..  trans-82.985.6169.1-17656.4000108.5V144 T146 G156 E167 L171 F172 F191 P220V144-L169 HydrophobicContact CB-CB 4.32Å; V144-L169 HydrophobicContact CG1-CB 4.45Å; V144-L169 HydrophobicContact CG1-CD2 4.28Å; V144-L169 WeakPolarHBondContact O-CB 2.97Å; V144-L169 PolarHBondContact O-N 3.21Å; T146-L169 HydrophobicContact CG2-CD2 4.29Å; G156-L169 WeakPolarHBondContact O-CD1 3.39Å; E167-L169 PolarHBondContact O-N 2.92Å; L169-L171 PolarHBondContact O-N 2.72Å; L169-L171 VanDerWaalsContact O-N 3.1Å; L169-F172 HydrophobicContact CD2-CD2 4.15Å; L169-F172 HydrophobicContact CD2-CE2 3.67Å; L169-F172 HydrophobicContact CG-CD2 4.23Å; L169-F172 HydrophobicContact CG-CE2 4.2Å; L169-F191 HydrophobicContact CD2-CE1 3.86Å; L169-F191 HydrophobicContact CD2-CZ 3.85Å; L169-P220 HydrophobicContact CD1-CG 4.44Å; L169-P220 HydrophobicContact CD2-CG 3.81Å; L169-P220 HydrophobicContact CG-CG 4.45Å
170D89.6Confident90.3Very high65 Ų6562.9 Ų62.935%0.34832%0.318SS..Hα-helixtrans-67.3-8.3-168.872-9.1000115.2L168 F172 S173 R174L168-D170 PolarHBondContact O-N 3.06Å; D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.88Å; D170-S173 PolarHBondContact O-OG 3.03Å; D170-R174 VanDerWaalsContact CG-CZ 3.44Å; D170-R174 VanDerWaalsContact CG-NE 3.31Å; D170-R174 VanDerWaalsContact O-CB 3.31Å; D170-R174 WeakPolarHBondContact O-CB 3.09Å; D170-R174 VanDerWaalsContact O-CG 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.4Å; D170-R174 PolarHBondContact O-N 3.11Å; D170-R174 PolarHBondContact O-NE 3.4Å; D170-R174 IonicContact OD1-CZ 2.88Å; D170-R174 IonicContact OD1-NE 3.11Å; D170-R174 PolarHBondContact OD1-NE 2.84Å; D170-R174 IonicContact OD1-NH2 3.05Å; D170-R174 PolarHBondContact OD1-NH2 2.88Å; D170-R174 IonicContact OD2-CZ 3.19Å; D170-R174 IonicContact OD2-NE 3.95Å; D170-R174 PolarHBondContact OD2-NE 3.32Å; D170-R174 VanDerWaalsContact OD2-NE 3.13Å; D170-R174 IonicContact OD2-NH1 2.66Å; D170-R174 IonicContact OD2-NH2 2.65Å; D170-R174 PolarHBondContact OD2-NH2 3.4Å
171L93.8Very high90.5Very high51 Ų5160.4 Ų60.427%0.26731%0.307SS..Hα-helixtrans-55.7-48.9177.5178.374.2000111.1L169 S175 P220L169-L171 PolarHBondContact O-N 2.72Å; L169-L171 VanDerWaalsContact O-N 3.1Å; L171-S175 WeakPolarHBondContact O-CB 3.32Å; L171-S175 PolarHBondContact O-N 2.6Å; L171-S175 PolarHBondContact O-OG 2.8Å; L171-P220 HydrophobicContact CD2-CB 3.67Å; L171-P220 HydrophobicContact CD2-CG 3.85Å; L171-P220 VanDerWaalsContact CD2-O 3.23Å; L171-P220 WeakPolarHBondContact CD2-O 3.42Å
172F93.8Very high90.6Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-71.9-37.7-173.6-63.2-61.8000112V144 L169 D170 S175 G176 V177 V179 F191 Y199 P220V144-F172 HydrophobicContact CB-CD2 4.04Å; V144-F172 HydrophobicContact CB-CE2 4.49Å; V144-F172 HydrophobicContact CG2-CD2 3.75Å; V144-F172 HydrophobicContact CG2-CE2 4.25Å; V144-F172 HydrophobicContact CG2-CG 4.48Å; L169-F172 HydrophobicContact CD2-CD2 4.15Å; L169-F172 HydrophobicContact CD2-CE2 3.67Å; L169-F172 HydrophobicContact CG-CD2 4.23Å; L169-F172 HydrophobicContact CG-CE2 4.2Å; D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.88Å; F172-S175 PolarHBondContact O-N 2.91Å; F172-S175 PolarHBondContact O-OG 2.99Å; F172-G176 PolarHBondContact O-N 2.86Å; F172-V177 HydrophobicContact CB-CB 4.47Å; F172-V177 HydrophobicContact CD1-CB 3.95Å; F172-V177 HydrophobicContact CD1-CG1 3.78Å; F172-V177 HydrophobicContact CE1-CG1 4.35Å; F172-V177 PolarHBondContact O-N 3.45Å; F172-V179 HydrophobicContact CB-CG2 4.17Å; F172-V179 HydrophobicContact CD1-CG2 3.73Å; F172-V179 HydrophobicContact CD2-CG2 3.93Å; F172-V179 HydrophobicContact CE1-CG2 4.04Å; F172-V179 HydrophobicContact CE2-CG2 4.21Å; F172-V179 HydrophobicContact CG-CG2 3.67Å; F172-V179 HydrophobicContact CZ-CG2 4.27Å; F172-F191 HydrophobicContact CE1-CB 4.37Å; F172-F191 HydrophobicContact CE2-CB 4.28Å; F172-F191 AromaticContact CE2-CD1 3.63Å; F172-F191 HydrophobicContact CE2-CD1 3.63Å; F172-F191 HydrophobicContact CE2-CD2 4.44Å; F172-F191 HydrophobicContact CE2-CE1 4.05Å; F172-F191 AromaticContact CE2-CG 3.87Å; F172-F191 HydrophobicContact CE2-CG 3.87Å; F172-F191 HydrophobicContact CZ-CB 3.65Å; F172-F191 AromaticContact CZ-CD1 3.85Å; F172-F191 HydrophobicContact CZ-CD1 3.85Å; F172-F191 HydrophobicContact CZ-CD2 4.02Å; F172-F191 AromaticContact CZ-CG 3.57Å; F172-F191 HydrophobicContact CZ-CG 3.57Å; F172-Y199 HydrophobicContact CE1-CD1 4.32Å; F172-Y199 HydrophobicContact CE1-CD2 4.05Å; F172-Y199 HydrophobicContact CE1-CE2 4.46Å; F172-Y199 AromaticContact CE1-CG 4Å; F172-Y199 HydrophobicContact CE1-CG 4Å; F172-P220 HydrophobicContact CE1-CB 4.42Å; F172-P220 HydrophobicContact CE2-CB 4.42Å; F172-P220 HydrophobicContact CE2-CG 4.03Å; F172-P220 HydrophobicContact CZ-CB 3.74Å; F172-P220 HydrophobicContact CZ-CG 3.86Å
173S89.9Confident90.8Very high44 Ų4456.2 Ų56.231%0.30828%0.283SS..Hα-helixtrans-67.4-43.9174.159.80000112.4T142 D170 S175 G176T142-S173 PolarHBondContact O-N 2.9Å; D170-S173 PolarHBondContact O-OG 3.03Å; S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.74Å; S173-G176 PolarHBondContact O-N 2.84Å
174R92.7Very high91Very high180 Ų18055.8 Ų55.868%0.67928%0.283SS*.Hα-helixtrans-65-31.5177.2-72.5-173.4-70.5173.8-7.1113.3D170D170-R174 VanDerWaalsContact CG-CZ 3.44Å; D170-R174 VanDerWaalsContact CG-NE 3.31Å; D170-R174 VanDerWaalsContact O-CB 3.31Å; D170-R174 WeakPolarHBondContact O-CB 3.09Å; D170-R174 VanDerWaalsContact O-CG 3.24Å; D170-R174 WeakPolarHBondContact O-CG 3.4Å; D170-R174 PolarHBondContact O-N 3.11Å; D170-R174 PolarHBondContact O-NE 3.4Å; D170-R174 IonicContact OD1-CZ 2.88Å; D170-R174 IonicContact OD1-NE 3.11Å; D170-R174 PolarHBondContact OD1-NE 2.84Å; D170-R174 IonicContact OD1-NH2 3.05Å; D170-R174 PolarHBondContact OD1-NH2 2.88Å; D170-R174 IonicContact OD2-CZ 3.19Å; D170-R174 IonicContact OD2-NE 3.95Å; D170-R174 PolarHBondContact OD2-NE 3.32Å; D170-R174 VanDerWaalsContact OD2-NE 3.13Å; D170-R174 IonicContact OD2-NH1 2.66Å; D170-R174 IonicContact OD2-NH2 2.65Å; D170-R174 PolarHBondContact OD2-NH2 3.4Å
175S92.5Very high91.3Very high67 Ų6748.3 Ų48.347%0.46925%0.249SC..Hα-helixtrans-93.9-2.1-179.556.70000114.3L171 F172 S173 V177L171-S175 WeakPolarHBondContact O-CB 3.32Å; L171-S175 PolarHBondContact O-N 2.6Å; L171-S175 PolarHBondContact O-OG 2.8Å; F172-S175 PolarHBondContact O-N 2.91Å; F172-S175 PolarHBondContact O-OG 2.99Å; S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 2.74Å; S175-V177 VanDerWaalsContact C-N 3.27Å; S175-V177 PolarHBondContact O-N 3.17Å; S175-V177 WeakPolarHBondContact OG-CG2 3.19Å
176G91.7Very high91.8Very high35 Ų3548.6 Ų48.636%0.36125%0.249SC..THydrogen-bonded Turntrans63.133.1-177.200000113.1F172 S173F172-G176 PolarHBondContact O-N 2.86Å; S173-G176 PolarHBondContact O-N 2.84Å
177V93.6Very high92.3Very high14 Ų1450.4 Ų50.49%0.08526%0.256CS..PPolyproline II helixtrans-97.5117.7-179.9175.30000109.5F172 S175 V179 Y199F172-V177 HydrophobicContact CB-CB 4.47Å; F172-V177 HydrophobicContact CD1-CB 3.95Å; F172-V177 HydrophobicContact CD1-CG1 3.78Å; F172-V177 HydrophobicContact CE1-CG1 4.35Å; F172-V177 PolarHBondContact O-N 3.45Å; S175-V177 VanDerWaalsContact C-N 3.27Å; S175-V177 PolarHBondContact O-N 3.17Å; S175-V177 WeakPolarHBondContact OG-CG2 3.19Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V177-Y199 HydrophobicContact CG1-CE2 3.93Å
178Y93.1Very high92.8Very high75 Ų7547.6 Ų47.629%0.29424%0.243SC..PPolyproline II helixtrans-87117.7179.7-51-61000110.7D140 P141 T142 S193 Q194D140-Y178 HydrophobicContact CB-CD1 3.46Å; D140-Y178 VanDerWaalsContact CB-CD1 3.46Å; D140-Y178 HydrophobicContact CB-CE1 3.36Å; D140-Y178 HydrophobicContact CB-CE2 4.41Å; D140-Y178 HydrophobicContact CB-CG 4.05Å; D140-Y178 VanDerWaalsContact O-CD1 3.28Å; D140-Y178 WeakPolarHBondContact O-CD1 3.49Å; P141-Y178 CarbonylContact O-C 3.55Å; P141-Y178 WeakPolarHBondContact O-CA 3.43Å; T142-Y178 HydrophobicContact CG2-CD1 3.31Å; T142-Y178 HydrophobicContact CG2-CE1 3.31Å; Y178-S193 CarbonylContact O-C 3.57Å; Y178-S193 WeakPolarHBondContact O-CA 3.14Å; Y178-S193 VanDerWaalsContact O-CB 3.3Å; Y178-S193 WeakPolarHBondContact O-CB 3.42Å; Y178-Q194 PolarHBondContact O-N 3.39Å
179V92.9Very high93.2Very high9 Ų944.7 Ų44.76%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-97.3117.3-174.3179.50000110.8P141 V144 F172 V177 V182 F191P141-V179 VanDerWaalsContact CG-O 3.25Å; P141-V179 WeakPolarHBondContact CG-O 3.13Å; P141-V179 PolarHBondContact O-N 3.18Å; V144-V179 HydrophobicContact CG2-CB 3.75Å; V144-V179 HydrophobicContact CG2-CG1 4.01Å; V144-V179 HydrophobicContact CG2-CG2 3.77Å; F172-V179 HydrophobicContact CB-CG2 4.17Å; F172-V179 HydrophobicContact CD1-CG2 3.73Å; F172-V179 HydrophobicContact CD2-CG2 3.93Å; F172-V179 HydrophobicContact CE1-CG2 4.04Å; F172-V179 HydrophobicContact CE2-CG2 4.21Å; F172-V179 HydrophobicContact CG-CG2 3.67Å; F172-V179 HydrophobicContact CZ-CG2 4.27Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V179-V182 HydrophobicContact CG1-CG2 3.7Å; V179-F191 HydrophobicContact CG1-CB 4.34Å
180K91.3Very high93.5Very high76 Ų7644.5 Ų44.533%0.3323%0.227SC..EExtended strand (participates in β ladder)trans-94.1-24.9179.668.1175174.8-170.80114.2L192 S193 Q194 C231 S232K180-L192 HydrophobicContact CD-CD2 4.38Å; K180-L192 HydrophobicContact CD-CG 4.45Å; K180-L192 VanDerWaalsContact CE-CG 3.47Å; K180-L192 HydrophobicContact CG-CD2 4.3Å; K180-L192 HydrophobicContact CG-CG 4.1Å; K180-L192 WeakPolarHBondContact CG-O 3.49Å; K180-L192 PolarHBondContact N-O 3.03Å; K180-S193 VanDerWaalsContact CE-O 3.27Å; K180-S193 WeakPolarHBondContact CE-O 3.44Å; K180-Q194 HydrophobicContact CB-CG 3.96Å; K180-C231 PolarHBondContact NZ-O 3.27Å; K180-S232 PolarHBondContact NZ-O 3.33Å
181Q93.3Very high93.9Very high54 Ų5441.4 Ų41.425%0.25221%0.21SC..EExtended strand (participates in β ladder)trans-146.3139.7-179.1-168.7-172.1-1.400110.7L192 V234Q181-L192 HydrophobicContact CB-CB 4.13Å; Q181-L192 HydrophobicContact CB-CD2 4.35Å; Q181-L192 PolarHBondContact N-O 2.87Å; Q181-L192 PolarHBondContact O-N 2.98Å; Q181-V234 HydrophobicContact CB-CG2 4.47Å; Q181-V234 HydrophobicContact CG-CG2 4.16Å; Q181-V234 PolarHBondContact NE2-O 3.39Å
182V95Very high94Very high41 Ų4139 Ų3925%0.24820%0.198CC..EExtended strand (participates in β ladder)trans-127134.9173.4-176.30000108.6V144 V179 L184 V190 F191 A493V144-V182 HydrophobicContact CG1-CG2 4.38Å; V179-V182 HydrophobicContact CG1-CG2 3.7Å; V182-L184 HydrophobicContact CG1-CD2 4.05Å; V182-L184 HydrophobicContact CG1-CG 4.28Å; V182-V190 CarbonylContact C-O 3.56Å; V182-V190 WeakPolarHBondContact CA-O 3.4Å; V182-F191 HydrophobicContact CB-CD1 4.41Å; V182-F191 HydrophobicContact CG1-CD1 3.86Å; V182-F191 HydrophobicContact CG1-CE1 3.76Å; V182-F191 HydrophobicContact CG2-CD1 3.82Å; V182-F191 HydrophobicContact CG2-CE1 4.34Å; V182-A493 HydrophobicContact CB-CB 4.21Å; V182-A493 HydrophobicContact CG1-CB 4.14Å; V182-A493 WeakPolarHBondContact O-CB 3.24Å
183V95.3Very high94.1Very high25 Ų2539 Ų3915%0.15220%0.198CC..EExtended strand (participates in β ladder)trans-125117.1172.8-178.80000107.8S189 V190 V234 A236V183-S189 CarbonylContact O-C 3.59Å; V183-S189 VanDerWaalsContact O-CA 3.32Å; V183-S189 WeakPolarHBondContact O-CA 3.39Å; V183-V190 HydrophobicContact CB-CB 4.39Å; V183-V190 PolarHBondContact N-O 3.06Å; V183-V190 PolarHBondContact O-N 3.34Å; V183-V234 HydrophobicContact CG2-CG2 3.9Å; V183-A236 HydrophobicContact CG1-CB 3.9Å
184L93.2Very high94.3Very high28 Ų2840.7 Ų40.715%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-100.5132.4174.2-59.2179.7000108.7V182 S189 A493V182-L184 HydrophobicContact CG1-CD2 4.05Å; V182-L184 HydrophobicContact CG1-CG 4.28Å; L184-S189 WeakPolarHBondContact CD2-OG 3.37Å; L184-A493 HydrophobicContact CB-CB 4.47Å; L184-A493 HydrophobicContact CD1-CB 4.2Å; L184-A493 HydrophobicContact CG-CB 3.9Å
185C92.3Very high94.3Very high11 Ų1139.2 Ų39.27%0.07420%0.199CC..  trans-128.8172.3177.4-72.70000110T154 F187 H188 A236T154-C185 WeakPolarHBondContact CG2-O 3.26Å; C185-F187 PolarHBondContact O-N 2.67Å; C185-F187 VanDerWaalsContact O-N 3.13Å; C185-H188 WeakPolarHBondContact CA-O 3.39Å; C185-H188 VanDerWaalsContact CB-O 3.3Å; C185-H188 WeakPolarHBondContact CB-O 3.37Å; C185-H188 PolarHBondContact N-O 2.75Å; C185-A236 PolarHBondContact SG-O 3.28Å; C185-A236 VanDerWaalsContact SG-O 3.33Å
186K91.2Very high94.5Very high116 Ų11636 Ų3650%0.50418%0.177SC..SBendtrans-53.8-36.5-178.1-179.9168.3179.9168.30114N152N152-K186 VanDerWaalsContact CB-O 3.27Å; N152-K186 WeakPolarHBondContact CB-O 3.49Å; N152-K186 PolarHBondContact ND2-O 3.21Å
187F95.4Very high94.8Very high44 Ų4437.5 Ų37.519%0.19318%0.175CC..SBendtrans-123-11.7-170.7-68.2-56000114.8N152 C185 H203 K238N152-F187 HydrophobicContact CB-CD1 4.13Å; N152-F187 WeakPolarHBondContact OD1-CD1 3.32Å; N152-F187 VanDerWaalsContact OD1-CE1 3.31Å; N152-F187 WeakPolarHBondContact OD1-CE1 3.21Å; C185-F187 PolarHBondContact O-N 2.67Å; C185-F187 VanDerWaalsContact O-N 3.13Å; F187-H203 HydrophobicContact CB-CB 4.4Å; F187-H203 PolarHBondContact O-N 2.91Å; F187-K238 HydrophobicContact CD2-CG 3.75Å; F187-K238 HydrophobicContact CE2-CD 4.26Å; F187-K238 HydrophobicContact CE2-CG 3.84Å
188H97Very high95.1Very high0 Ų036.9 Ų36.90%017%0.171CC..EExtended strand (participates in β ladder)trans-155.2167.9178.774.3-76000111C185 C201 R208 L209 A236 A237 T241C185-H188 WeakPolarHBondContact CA-O 3.39Å; C185-H188 VanDerWaalsContact CB-O 3.3Å; C185-H188 WeakPolarHBondContact CB-O 3.37Å; C185-H188 PolarHBondContact N-O 2.75Å; H188-C201 CarbonylContact C-O 3.55Å; H188-C201 WeakPolarHBondContact CA-O 3.31Å; H188-C201 VanDerWaalsContact CB-O 3.28Å; H188-C201 WeakPolarHBondContact CB-O 3.23Å; H188-R208 HydrophobicContact CB-CG 4.22Å; H188-L209 HydrophobicContact CB-CD2 3.61Å; H188-A236 WeakPolarHBondContact NE2-CB 3.15Å; H188-A237 PolarHBondContact CE1-O 3.49Å; H188-T241 PolarHBondContact NE2-OG1 2.7Å
189S97.1Very high95.3Very high0 Ų034.5 Ų34.50%016%0.162CC..EExtended strand (participates in β ladder)trans-130.5145.9177.9-60.80000109.7T154 V183 L184 T200 C201T154-S189 WeakPolarHBondContact O-CB 3.38Å; T154-S189 PolarHBondContact O-OG 2.74Å; V183-S189 CarbonylContact O-C 3.59Å; V183-S189 VanDerWaalsContact O-CA 3.32Å; V183-S189 WeakPolarHBondContact O-CA 3.39Å; L184-S189 WeakPolarHBondContact CD2-OG 3.37Å; S189-T200 VanDerWaalsContact O-CA 3.3Å; S189-T200 WeakPolarHBondContact O-CA 3.39Å; S189-C201 PolarHBondContact N-O 2.91Å; S189-C201 PolarHBondContact O-N 3.44Å; S189-C201 VanDerWaalsContact O-N 3.11Å
190V98.4Very high95.6Very high0 Ų034.1 Ų34.10%016%0.159CC..EExtended strand (participates in β ladder)trans-127129.4-178.9-169.40000108.9V182 V183 V198 Y199 T200 V234 A236 T241V182-V190 CarbonylContact C-O 3.56Å; V182-V190 WeakPolarHBondContact CA-O 3.4Å; V183-V190 HydrophobicContact CB-CB 4.39Å; V183-V190 PolarHBondContact N-O 3.06Å; V183-V190 PolarHBondContact O-N 3.34Å; V190-V198 HydrophobicContact CG1-CG1 3.76Å; V190-Y199 CarbonylContact C-O 3.41Å; V190-Y199 WeakPolarHBondContact CA-O 3.33Å; V190-T200 HydrophobicContact CG1-CG2 4.16Å; V190-T200 HydrophobicContact CG2-CG2 4.17Å; V190-V234 HydrophobicContact CG1-CB 3.99Å; V190-V234 HydrophobicContact CG1-CG1 3.93Å; V190-V234 HydrophobicContact CG1-CG2 4.07Å; V190-A236 HydrophobicContact CG2-CB 3.91Å; V190-T241 HydrophobicContact CG1-CG2 4.4Å; V190-T241 HydrophobicContact CG2-CG2 3.98Å
191F97.7Very high95.9Very high0 Ų030.5 Ų30.50%014%0.143CC..EExtended strand (participates in β ladder)trans-120.7129.7179-49.7-99.4000108.4V144 T146 L169 F172 V179 V182 V198 Y199 P220V144-F191 HydrophobicContact CG1-CD1 4.22Å; V144-F191 HydrophobicContact CG1-CE1 3.89Å; T146-F191 HydrophobicContact CG2-CE1 4.44Å; L169-F191 HydrophobicContact CD2-CE1 3.86Å; L169-F191 HydrophobicContact CD2-CZ 3.85Å; F172-F191 HydrophobicContact CE1-CB 4.37Å; F172-F191 HydrophobicContact CE2-CB 4.28Å; F172-F191 AromaticContact CE2-CD1 3.63Å; F172-F191 HydrophobicContact CE2-CD1 3.63Å; F172-F191 HydrophobicContact CE2-CD2 4.44Å; F172-F191 HydrophobicContact CE2-CE1 4.05Å; F172-F191 AromaticContact CE2-CG 3.87Å; F172-F191 HydrophobicContact CE2-CG 3.87Å; F172-F191 HydrophobicContact CZ-CB 3.65Å; F172-F191 AromaticContact CZ-CD1 3.85Å; F172-F191 HydrophobicContact CZ-CD1 3.85Å; F172-F191 HydrophobicContact CZ-CD2 4.02Å; F172-F191 AromaticContact CZ-CG 3.57Å; F172-F191 HydrophobicContact CZ-CG 3.57Å; V179-F191 HydrophobicContact CG1-CB 4.34Å; V182-F191 HydrophobicContact CB-CD1 4.41Å; V182-F191 HydrophobicContact CG1-CD1 3.86Å; V182-F191 HydrophobicContact CG1-CE1 3.76Å; V182-F191 HydrophobicContact CG2-CD1 3.82Å; V182-F191 HydrophobicContact CG2-CE1 4.34Å; F191-V198 WeakPolarHBondContact O-CA 3.12Å; F191-Y199 PolarHBondContact N-O 2.81Å; F191-Y199 PolarHBondContact O-N 2.81Å; F191-P220 HydrophobicContact CD2-CB 4.06Å; F191-P220 HydrophobicContact CD2-CG 4.15Å; F191-P220 HydrophobicContact CE2-CB 4.14Å; F191-P220 HydrophobicContact CE2-CG 3.8Å; F191-P220 HydrophobicContact CZ-CG 4.25Å
192L97.5Very high96.1Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-115.1123.8178.9173.964.3000109.3K180 Q181 V198 C231 V234K180-L192 HydrophobicContact CD-CD2 4.38Å; K180-L192 HydrophobicContact CD-CG 4.45Å; K180-L192 VanDerWaalsContact CE-CG 3.47Å; K180-L192 HydrophobicContact CG-CD2 4.3Å; K180-L192 HydrophobicContact CG-CG 4.1Å; K180-L192 WeakPolarHBondContact CG-O 3.49Å; K180-L192 PolarHBondContact N-O 3.03Å; Q181-L192 HydrophobicContact CB-CB 4.13Å; Q181-L192 HydrophobicContact CB-CD2 4.35Å; Q181-L192 PolarHBondContact N-O 2.87Å; Q181-L192 PolarHBondContact O-N 2.98Å; L192-V198 HydrophobicContact CD1-CG2 3.85Å; L192-C231 HydrophobicContact CD1-CB 3.58Å; L192-V234 HydrophobicContact CB-CG1 4.07Å; L192-V234 HydrophobicContact CB-CG2 3.94Å; L192-V234 HydrophobicContact CD1-CG1 4.43Å; L192-V234 HydrophobicContact CD2-CG1 4.23Å; L192-V234 HydrophobicContact CD2-CG2 4.42Å; L192-V234 HydrophobicContact CG-CG1 4.48Å
193S95.7Very high96.2Very high1 Ų128.1 Ų28.11%0.00713%0.13CC..EExtended strand (participates in β ladder)trans-81.3161.2177.8860000112.7Y178 K180 K195 G196 Q197Y178-S193 CarbonylContact O-C 3.57Å; Y178-S193 WeakPolarHBondContact O-CA 3.14Å; Y178-S193 VanDerWaalsContact O-CB 3.3Å; Y178-S193 WeakPolarHBondContact O-CB 3.42Å; K180-S193 VanDerWaalsContact CE-O 3.27Å; K180-S193 WeakPolarHBondContact CE-O 3.44Å; S193-K195 PolarHBondContact O-N 3.13Å; S193-K195 PolarHBondContact OG-N 3.46Å; S193-G196 PolarHBondContact O-N 3.47Å; S193-G196 PolarHBondContact OG-N 3.44Å; S193-Q197 PolarHBondContact N-O 3.41Å; S193-Q197 WeakPolarHBondContact OG-CB 3.3Å; S193-Q197 PolarHBondContact OG-N 2.89Å
194Q93.1Very high96.2Very high78 Ų7827 Ų2736%0.36412%0.123SC..THydrogen-bonded Turntrans-60.6-30.1172.2-71.5-169.44.300112.5Y178 K180 G196Y178-Q194 PolarHBondContact O-N 3.39Å; K180-Q194 HydrophobicContact CB-CG 3.96Å; Q194-G196 PolarHBondContact O-N 2.88Å
195K93.9Very high96.4Very high149 Ų14934.8 Ų34.865%0.64815%0.15SC*.THydrogen-bonded Turntrans-79.67.8174.7-64.7-176177.1176.10113.6S193 Q197 N230S193-K195 PolarHBondContact O-N 3.13Å; S193-K195 PolarHBondContact OG-N 3.46Å; K195-Q197 VanDerWaalsContact C-N 3.33Å; K195-Q197 PolarHBondContact O-N 2.78Å; K195-N230 PolarHBondContact O-OD1 2.75Å
196G96.5Very high96.6Very high1 Ų134.4 Ų34.41%0.0115%0.148CC..SBendtrans76.215.7178.600000115S193 Q194 N230 C231S193-G196 PolarHBondContact O-N 3.47Å; S193-G196 PolarHBondContact OG-N 3.44Å; Q194-G196 PolarHBondContact O-N 2.88Å; G196-N230 WeakPolarHBondContact CA-OD1 3.39Å; G196-C231 WeakPolarHBondContact CA-O 3.14Å; G196-C231 WeakPolarHBondContact O-CB 3.44Å; G196-C231 PolarHBondContact O-N 3.21Å; G196-C231 PolarHBondContact O-SG 3.13Å; G196-C231 VanDerWaalsContact O-SG 3.41Å
197Q97.9Very high96.9Very high66 Ų6628.9 Ų28.931%0.30812%0.124SC..  trans-85.8135.9176.8-60.2170.6-67.500110.5S193 K195 Y199 L222S193-Q197 PolarHBondContact N-O 3.41Å; S193-Q197 WeakPolarHBondContact OG-CB 3.3Å; S193-Q197 PolarHBondContact OG-N 2.89Å; K195-Q197 VanDerWaalsContact C-N 3.33Å; K195-Q197 PolarHBondContact O-N 2.78Å; Q197-Y199 HydrophobicContact CB-CE2 3.73Å; Q197-L222 HydrophobicContact CB-CD1 3.87Å; Q197-L222 HydrophobicContact CG-CD1 4.44Å
198V98.6Very high97Very high1 Ų127.3 Ų27.31%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-106.2128.1-179.8179.10000110.2V190 F191 L192 T200 V223 L226 C231 V234 V243V190-V198 HydrophobicContact CG1-CG1 3.76Å; F191-V198 WeakPolarHBondContact O-CA 3.12Å; L192-V198 HydrophobicContact CD1-CG2 3.85Å; V198-T200 HydrophobicContact CG1-CG2 4.38Å; V198-V223 HydrophobicContact CG1-CG2 4.09Å; V198-V223 PolarHBondContact O-N 3.45Å; V198-L226 HydrophobicContact CB-CD1 3.96Å; V198-L226 HydrophobicContact CG1-CD1 4.36Å; V198-L226 HydrophobicContact CG2-CD1 3.99Å; V198-C231 HydrophobicContact CG2-CB 3.91Å; V198-V234 HydrophobicContact CG1-CG1 4.37Å; V198-V234 HydrophobicContact CG2-CG1 4Å; V198-V243 HydrophobicContact CG2-CG1 4.03Å
199Y98.6Very high97.1Very high25 Ų2527.3 Ų27.310%0.09812%0.117CC..EExtended strand (participates in β ladder)trans-118.1143.1174.9-58.2-105.8000110.2F172 V177 V190 F191 Q197 R221 L222F172-Y199 HydrophobicContact CE1-CD1 4.32Å; F172-Y199 HydrophobicContact CE1-CD2 4.05Å; F172-Y199 HydrophobicContact CE1-CE2 4.46Å; F172-Y199 AromaticContact CE1-CG 4Å; F172-Y199 HydrophobicContact CE1-CG 4Å; V177-Y199 HydrophobicContact CG1-CE2 3.93Å; V190-Y199 CarbonylContact C-O 3.41Å; V190-Y199 WeakPolarHBondContact CA-O 3.33Å; F191-Y199 PolarHBondContact N-O 2.81Å; F191-Y199 PolarHBondContact O-N 2.81Å; Q197-Y199 HydrophobicContact CB-CE2 3.73Å; Y199-R221 CarbonylContact C-O 3.58Å; Y199-R221 WeakPolarHBondContact CA-O 3.39Å; Y199-L222 HydrophobicContact CD1-CB 4.07Å; Y199-L222 HydrophobicContact CD1-CD1 4.5Å; Y199-L222 HydrophobicContact CE1-CB 3.85Å; Y199-L222 HydrophobicContact CE1-CD1 4.09Å; Y199-L222 HydrophobicContact CE2-CD1 4.15Å
200T98.6Very high97.2Very high0 Ų027.4 Ų27.40%012%0.118CC..EExtended strand (participates in β ladder)trans-133.3148.8179.456.30000111.6S189 V190 V198 L209 H211 P220 R221 V223S189-T200 VanDerWaalsContact O-CA 3.3Å; S189-T200 WeakPolarHBondContact O-CA 3.39Å; V190-T200 HydrophobicContact CG1-CG2 4.16Å; V190-T200 HydrophobicContact CG2-CG2 4.17Å; V198-T200 HydrophobicContact CG1-CG2 4.38Å; T200-L209 PolarHBondContact OG1-O 2.96Å; T200-H211 PolarHBondContact OG1-CE1 3.22Å; T200-H211 PolarHBondContact OG1-NE2 3.09Å; T200-P220 WeakPolarHBondContact O-CA 3.47Å; T200-R221 PolarHBondContact N-O 3.36Å; T200-R221 PolarHBondContact O-N 2.83Å; T200-V223 HydrophobicContact CG2-CG2 3.76Å
201C97.6Very high97.2Very high0 Ų028.7 Ų28.70%012%0.124CC..EExtended strand (participates in β ladder)trans-149165.7170.268.60000111.2H188 S189 C217H188-C201 CarbonylContact C-O 3.55Å; H188-C201 WeakPolarHBondContact CA-O 3.31Å; H188-C201 VanDerWaalsContact CB-O 3.28Å; H188-C201 WeakPolarHBondContact CB-O 3.23Å; S189-C201 PolarHBondContact N-O 2.91Å; S189-C201 PolarHBondContact O-N 3.44Å; S189-C201 VanDerWaalsContact O-N 3.11Å; C201-C217 CarbonylContact C-O 3.52Å; C201-C217 WeakPolarHBondContact CA-O 3.44Å; C201-C217 WeakPolarHBondContact CB-O 3.24Å
202G96.9Very high97.2Very high0 Ų030.7 Ų30.70%015%0.145CC..EExtended strand (participates in β ladder)trans113.5-154.4-175.200000112.3F153 T216 C217F153-G202 VanDerWaalsContact O-CA 3.31Å; F153-G202 WeakPolarHBondContact O-CA 3.42Å; F153-G202 PolarHBondContact O-N 2.88Å; G202-T216 CarbonylContact O-C 3.59Å; G202-T216 VanDerWaalsContact O-CA 3.31Å; G202-T216 WeakPolarHBondContact O-CA 3.16Å; G202-T216 WeakPolarHBondContact O-CG2 3.37Å; G202-C217 PolarHBondContact N-O 3.3Å; G202-C217 PolarHBondContact O-N 3.34Å
203H97Very high97.2Very high46 Ų4632.8 Ų32.821%0.21316%0.156CC..  trans-75.3130179.2-75.9-64.4000112.9N152 F153 F187 R208 T216N152-H203 PolarHBondContact O-CD2 2.63Å; F153-H203 AromaticContact CD2-CE1 3.44Å; F153-H203 VanDerWaalsContact CD2-CE1 3.44Å; F153-H203 WeakPolarHBondContact CD2-CE1 3.49Å; F153-H203 AromaticContact CD2-NE2 3.56Å; F153-H203 AromaticContact CE2-CE1 3.46Å; F153-H203 VanDerWaalsContact CE2-CE1 3.46Å; F153-H203 WeakPolarHBondContact CE2-CE1 3.47Å; F153-H203 AromaticContact CE2-NE2 3.81Å; F187-H203 HydrophobicContact CB-CB 4.4Å; F187-H203 PolarHBondContact O-N 2.91Å; H203-R208 WeakPolarHBondContact O-CD 3.35Å; H203-R208 WeakPolarHBondContact O-CG 3.19Å; H203-T216 PolarHBondContact ND1-OG1 2.7Å
204G97Very high97.3Very high0 Ų037.1 Ų37.10%018%0.176CC..  trans-82.5-13179.900000116.5G206 G207 E214 Q215G204-G206 PolarHBondContact O-N 3.35Å; G204-G207 WeakPolarHBondContact O-CA 3.36Å; G204-G207 PolarHBondContact O-N 3.1Å; G204-E214 CarbonylContact C-O 3.56Å; G204-E214 VanDerWaalsContact C-O 3.22Å; G204-E214 VanDerWaalsContact CA-O 3.26Å; G204-E214 WeakPolarHBondContact CA-O 3.37Å; G204-E214 WeakPolarHBondContact O-CA 3.27Å; G204-Q215 VanDerWaalsContact CA-O 3.26Å; G204-Q215 WeakPolarHBondContact CA-O 3.45Å; G204-Q215 PolarHBondContact N-O 2.98Å
205R97.3Very high97.5Very high192 Ų19239.9 Ų39.973%0.72519%0.189SC*.G310 helixtrans-47.4129.2-171.6-173.1176.4178.4-177.4-0.2113G207 R208 E214R205-G207 VanDerWaalsContact C-N 3.25Å; R205-G207 PolarHBondContact O-N 2.75Å; R205-R208 VanDerWaalsContact O-CZ 3.23Å; R205-R208 PolarHBondContact O-NE 2.8Å; R205-R208 PolarHBondContact O-NH2 2.92Å; R205-E214 PolarHBondContact N-O 3.14Å
206G95.9Very high97.7Very high4 Ų435.8 Ų35.84%0.04118%0.176CC..G310 helixtrans71.112.4-176.700000114.9G204 E214 G254 L255G204-G206 PolarHBondContact O-N 3.35Å; G206-E214 PolarHBondContact N-OE2 2.91Å; G206-G254 CarbonylContact O-C 3.57Å; G206-G254 WeakPolarHBondContact O-CA 3.17Å; G206-G254 VanDerWaalsContact O-O 3.12Å; G206-L255 PolarHBondContact O-N 3.44Å
207G97.9Very high97.7Very high0 Ų036.6 Ų36.60%018%0.182CC..G310 helixtrans85.911171.500000116.3G204 R205 L209 G210 N271G204-G207 WeakPolarHBondContact O-CA 3.36Å; G204-G207 PolarHBondContact O-N 3.1Å; R205-G207 VanDerWaalsContact C-N 3.25Å; R205-G207 PolarHBondContact O-N 2.75Å; G207-L209 PolarHBondContact O-N 3.38Å; G207-G210 PolarHBondContact O-N 2.96Å; G207-N271 WeakPolarHBondContact CA-OD1 3.45Å; G207-N271 PolarHBondContact N-OD1 2.97Å
208R97.8Very high97.6Very high10 Ų1036.7 Ų36.74%0.03818%0.184CC..THydrogen-bonded Turntrans-62.4-15-170.974.1-167.172.8-153-8.7114.8H188 H203 R205 K238 D239 T241 F253H188-R208 HydrophobicContact CB-CG 4.22Å; H203-R208 WeakPolarHBondContact O-CD 3.35Å; H203-R208 WeakPolarHBondContact O-CG 3.19Å; R205-R208 VanDerWaalsContact O-CZ 3.23Å; R205-R208 PolarHBondContact O-NE 2.8Å; R205-R208 PolarHBondContact O-NH2 2.92Å; R208-K238 PolarHBondContact NH1-O 3.05Å; R208-D239 IonicContact CZ-OD1 2.69Å; R208-D239 VanDerWaalsContact CZ-OD1 3.28Å; R208-D239 IonicContact NH1-OD1 2.62Å; R208-D239 PolarHBondContact NH1-OD1 2.76Å; R208-D239 IonicContact NH2-OD1 2.71Å; R208-D239 PolarHBondContact NH2-OD1 2.82Å; R208-T241 PolarHBondContact O-OG1 2.94Å; R208-F253 WeakPolarHBondContact O-CD2 3.28Å; R208-F253 VanDerWaalsContact O-CE2 3.26Å; R208-F253 WeakPolarHBondContact O-CE2 3.27Å
209L98.5Very high97.5Very high1 Ų140 Ų401%0.00521%0.205CC..THydrogen-bonded Turntrans-89.6-21.1177.7-56.8-179.7000113.6H188 T200 G207 Q215 C217 V223 F253H188-L209 HydrophobicContact CB-CD2 3.61Å; T200-L209 PolarHBondContact OG1-O 2.96Å; G207-L209 PolarHBondContact O-N 3.38Å; L209-Q215 WeakPolarHBondContact CD1-O 3.49Å; L209-C217 HydrophobicContact CD1-CB 3.8Å; L209-V223 WeakPolarHBondContact O-CG2 3.5Å; L209-F253 VanDerWaalsContact C-CE2 3.47Å
210G98.4Very high97.5Very high2 Ų239.2 Ų39.22%0.02120%0.202CC..  trans80.812.8174.800000115.9G207 G212 F253 N271 P273G207-G210 PolarHBondContact O-N 2.96Å; G210-G212 VanDerWaalsContact C-N 3.35Å; G210-G212 PolarHBondContact O-N 3.06Å; G210-F253 VanDerWaalsContact CA-CD2 3.4Å; G210-N271 CarbonylContact C-O 3.35Å; G210-N271 WeakPolarHBondContact CA-O 3.26Å; G210-P273 WeakPolarHBondContact O-CD 3.47Å
211H98.5Very high97.4Very high26 Ų2644.5 Ų44.512%0.1222%0.222CC..SBendtrans-86.73.3-176.2-58.2-47.5000115.2T200 D213 R221 N271T200-H211 PolarHBondContact OG1-CE1 3.22Å; T200-H211 PolarHBondContact OG1-NE2 3.09Å; H211-D213 VanDerWaalsContact C-N 3.33Å; H211-R221 PolarHBondContact CE1-O 3.31Å; H211-N271 PolarHBondContact N-O 3.25Å
212G98Very high97.5Very high42 Ų4246.2 Ų46.243%0.43323%0.231SC..SBendtrans88.1-2-175.500000114.6G210 N271G210-G212 VanDerWaalsContact C-N 3.35Å; G210-G212 PolarHBondContact O-N 3.06Å; G212-N271 WeakPolarHBondContact CA-O 3.37Å; G212-N271 PolarHBondContact N-O 3.08Å
213D97.6Very high97.5Very high45 Ų4546.2 Ų46.224%0.24123%0.231CC..SBendtrans-135.2-175.517962.557.5000111.3H211 Q215H211-D213 VanDerWaalsContact C-N 3.33Å; D213-Q215 HydrophobicContact CB-CG 4.38Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.26Å; D213-Q215 PolarHBondContact OD1-N 3.35Å
214E97.8Very high97.6Very high92 Ų9249.6 Ų49.643%0.4325%0.247SC..  trans-11317.5176.6-63.2-165-162.800113.1G204 R205 G206G204-E214 CarbonylContact C-O 3.56Å; G204-E214 VanDerWaalsContact C-O 3.22Å; G204-E214 VanDerWaalsContact CA-O 3.26Å; G204-E214 WeakPolarHBondContact CA-O 3.37Å; G204-E214 WeakPolarHBondContact O-CA 3.27Å; R205-E214 PolarHBondContact N-O 3.14Å; G206-E214 PolarHBondContact N-OE2 2.91Å
215Q97.8Very high97.6Very high135 Ų13551.8 Ų51.863%0.63127%0.27SS*.  trans-72.6144.3-174.5-63.5-170.9-10.600112G204 L209 D213 C217G204-Q215 VanDerWaalsContact CA-O 3.26Å; G204-Q215 WeakPolarHBondContact CA-O 3.45Å; G204-Q215 PolarHBondContact N-O 2.98Å; L209-Q215 WeakPolarHBondContact CD1-O 3.49Å; D213-Q215 HydrophobicContact CB-CG 4.38Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.26Å; D213-Q215 PolarHBondContact OD1-N 3.35Å; Q215-C217 PolarHBondContact O-N 2.78Å
216T97.3Very high97.7Very high63 Ų6342.9 Ų42.939%0.38724%0.236SC..  trans-68.1131170.1-60.50000109.4F153 G202 H203 L218F153-T216 HydrophobicContact CB-CG2 4.17Å; F153-T216 HydrophobicContact CD2-CG2 3.78Å; F153-T216 HydrophobicContact CE2-CG2 4.37Å; F153-T216 HydrophobicContact CG-CG2 4.01Å; G202-T216 CarbonylContact O-C 3.59Å; G202-T216 VanDerWaalsContact O-CA 3.31Å; G202-T216 WeakPolarHBondContact O-CA 3.16Å; G202-T216 WeakPolarHBondContact O-CG2 3.37Å; H203-T216 PolarHBondContact ND1-OG1 2.7Å; T216-L218 HydrophobicContact CG2-CD2 3.83Å
217C96.9Very high97.5Very high19 Ų1946.8 Ų46.813%0.12826%0.263CS..EExtended strand (participates in β ladder)trans-113.4113.4178-162.80000109.6C201 G202 L209 Q215 V219 R221C201-C217 CarbonylContact C-O 3.52Å; C201-C217 WeakPolarHBondContact CA-O 3.44Å; C201-C217 WeakPolarHBondContact CB-O 3.24Å; G202-C217 PolarHBondContact N-O 3.3Å; G202-C217 PolarHBondContact O-N 3.34Å; L209-C217 HydrophobicContact CD1-CB 3.8Å; Q215-C217 PolarHBondContact O-N 2.78Å; C217-V219 PolarHBondContact SG-O 2.97Å; C217-R221 VanDerWaalsContact SG-CB 3.59Å
218L96.3Very high97.3Very high68 Ų6850.2 Ų50.236%0.35630%0.299SS..EExtended strand (participates in β ladder)trans-83.2-13.9-171.6-57.2-179000114.1F153 G156 G158 T216F153-L218 HydrophobicContact CB-CD2 3.84Å; F153-L218 HydrophobicContact CD1-CD2 3.23Å; F153-L218 HydrophobicContact CE1-CD2 3.79Å; F153-L218 HydrophobicContact CG-CD2 3.62Å; G156-L218 CarbonylContact C-O 3.54Å; G156-L218 VanDerWaalsContact CA-O 3.26Å; G156-L218 WeakPolarHBondContact CA-O 3.26Å; G158-L218 WeakPolarHBondContact CA-O 3.29Å; G158-L218 PolarHBondContact N-O 3.17Å; T216-L218 HydrophobicContact CG2-CD2 3.83Å
219V95.9Very high97.2Very high71 Ų7152.9 Ų52.943%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-132149.2179.3-64.20000108.5G156 C217 R221G156-V219 WeakPolarHBondContact O-CA 3.24Å; C217-V219 PolarHBondContact SG-O 2.97Å; V219-R221 PolarHBondContact O-N 3.49Å
220P97.6Very high97.1Very high7 Ų756.6 Ų56.65%0.04533%0.331CS..EExtended strand (participates in β ladder)trans-56.3125.1177.9-19.727.5000111.9L169 L171 F172 F191 T200L169-P220 HydrophobicContact CD1-CG 4.44Å; L169-P220 HydrophobicContact CD2-CG 3.81Å; L169-P220 HydrophobicContact CG-CG 4.45Å; L171-P220 HydrophobicContact CD2-CB 3.67Å; L171-P220 HydrophobicContact CD2-CG 3.85Å; L171-P220 VanDerWaalsContact CD2-O 3.23Å; L171-P220 WeakPolarHBondContact CD2-O 3.42Å; F172-P220 HydrophobicContact CE1-CB 4.42Å; F172-P220 HydrophobicContact CE2-CB 4.42Å; F172-P220 HydrophobicContact CE2-CG 4.03Å; F172-P220 HydrophobicContact CZ-CB 3.74Å; F172-P220 HydrophobicContact CZ-CG 3.86Å; F191-P220 HydrophobicContact CD2-CB 4.06Å; F191-P220 HydrophobicContact CD2-CG 4.15Å; F191-P220 HydrophobicContact CE2-CB 4.14Å; F191-P220 HydrophobicContact CE2-CG 3.8Å; F191-P220 HydrophobicContact CZ-CG 4.25Å; T200-P220 WeakPolarHBondContact O-CA 3.47Å
221R97.9Very high97.1Very high112 Ų11256.5 Ų56.542%0.42333%0.33SS..EExtended strand (participates in β ladder)trans-116.2140176.9177.9179.7178.3-168.8-1.4109.8Y199 T200 H211 C217 V219Y199-R221 CarbonylContact C-O 3.58Å; Y199-R221 WeakPolarHBondContact CA-O 3.39Å; T200-R221 PolarHBondContact N-O 3.36Å; T200-R221 PolarHBondContact O-N 2.83Å; H211-R221 PolarHBondContact CE1-O 3.31Å; C217-R221 VanDerWaalsContact SG-CB 3.59Å; V219-R221 PolarHBondContact O-N 3.49Å
222L98.3Very high97.1Very high35 Ų3556.9 Ų56.918%0.18334%0.336CS..EExtended strand (participates in β ladder)trans-62.2134.6176.2-177.964.7000110.6Q197 Y199 E224Q197-L222 HydrophobicContact CB-CD1 3.87Å; Q197-L222 HydrophobicContact CG-CD1 4.44Å; Y199-L222 HydrophobicContact CD1-CB 4.07Å; Y199-L222 HydrophobicContact CD1-CD1 4.5Å; Y199-L222 HydrophobicContact CE1-CB 3.85Å; Y199-L222 HydrophobicContact CE1-CD1 4.09Å; Y199-L222 HydrophobicContact CE2-CD1 4.15Å; L222-E224 PolarHBondContact O-N 2.83Å
223V98.6Very high97.1Very high1 Ų157.2 Ų57.21%0.00633%0.326CS..  trans-85.289173.4-175.50000108.7V198 T200 L209 G225 L226 P273V198-V223 HydrophobicContact CG1-CG2 4.09Å; V198-V223 PolarHBondContact O-N 3.45Å; T200-V223 HydrophobicContact CG2-CG2 3.76Å; L209-V223 WeakPolarHBondContact O-CG2 3.5Å; V223-G225 PolarHBondContact O-N 3.49Å; V223-G225 VanDerWaalsContact O-N 3.1Å; V223-L226 HydrophobicContact CB-CD1 4.28Å; V223-L226 HydrophobicContact CG1-CD1 3.97Å; V223-L226 HydrophobicContact CG1-CG 4.26Å; V223-L226 PolarHBondContact O-N 3.01Å; V223-P273 HydrophobicContact CG1-CG 3.53Å
224E98.1Very high97.1Very high117 Ų11755.1 Ų55.155%0.54732%0.315SS..G310 helixtrans-55.2-32-173.5-63.8-63.9170.800114.1L222 L226 S227L222-E224 PolarHBondContact O-N 2.83Å; E224-L226 PolarHBondContact O-N 3.32Å; E224-S227 WeakPolarHBondContact O-CB 3.1Å; E224-S227 PolarHBondContact O-N 2.75Å; E224-S227 PolarHBondContact O-OG 3.09Å
225G97.6Very high97.2Very high46 Ų4651.2 Ų51.247%0.47430%0.298SS..G310 helixtrans-63.3-7.9176.100000114.9V223V223-G225 PolarHBondContact O-N 3.49Å; V223-G225 VanDerWaalsContact O-N 3.1Å
226L98Very high97.2Very high4 Ų445.3 Ų45.32%0.02127%0.273CS..G310 helixtrans-112.60.8175.4-66.6167.4000113.3V198 V223 E224 G228 H229 V243 Y251 F253 P273V198-L226 HydrophobicContact CB-CD1 3.96Å; V198-L226 HydrophobicContact CG1-CD1 4.36Å; V198-L226 HydrophobicContact CG2-CD1 3.99Å; V223-L226 HydrophobicContact CB-CD1 4.28Å; V223-L226 HydrophobicContact CG1-CD1 3.97Å; V223-L226 HydrophobicContact CG1-CG 4.26Å; V223-L226 PolarHBondContact O-N 3.01Å; E224-L226 PolarHBondContact O-N 3.32Å; L226-G228 PolarHBondContact O-N 3.49Å; L226-G228 VanDerWaalsContact O-N 3.12Å; L226-H229 PolarHBondContact O-N 2.76Å; L226-V243 HydrophobicContact CD1-CB 4.33Å; L226-V243 HydrophobicContact CD1-CG1 4.15Å; L226-V243 HydrophobicContact CD1-CG2 3.92Å; L226-Y251 HydrophobicContact CD2-CD1 4.12Å; L226-Y251 HydrophobicContact CD2-CD2 4.25Å; L226-Y251 HydrophobicContact CD2-CG 3.87Å; L226-F253 HydrophobicContact CD1-CE1 4.28Å; L226-P273 HydrophobicContact CD1-CB 4.4Å; L226-P273 HydrophobicContact CD1-CG 4.04Å; L226-P273 HydrophobicContact CD2-CB 3.84Å; L226-P273 HydrophobicContact CD2-CG 4.24Å; L226-P273 HydrophobicContact CG-CB 3.95Å; L226-P273 HydrophobicContact CG-CG 3.76Å
227S93.1Very high97.1Very high87 Ų8742.8 Ų42.861%0.60826%0.258SS*.THydrogen-bonded Turntrans-58.2-28.2-173.655.90000114.6E224E224-S227 WeakPolarHBondContact O-CB 3.1Å; E224-S227 PolarHBondContact O-N 2.75Å; E224-S227 PolarHBondContact O-OG 3.09Å
228G92.7Very high97Very high72 Ų7244.2 Ų44.274%0.74226%0.262SS*.THydrogen-bonded Turntrans-873.7176.200000115.2L226L226-G228 PolarHBondContact O-N 3.49Å; L226-G228 VanDerWaalsContact O-N 3.12Å
229H96.3Very high97Very high65 Ų6541.9 Ų41.930%0.30125%0.25SS..SBendtrans-120.6135.9-174.1-63.6-69000111.3L226 C231 T245 Y251L226-H229 PolarHBondContact O-N 2.76Å; H229-C231 PolarHBondContact O-N 3.36Å; H229-T245 HydrophobicContact CB-CG2 3.78Å; H229-Y251 AromaticContact CE1-CZ 3.73Å; H229-Y251 PolarHBondContact CE1-OH 3.27Å; H229-Y251 PolarHBondContact ND1-OH 2.8Å; H229-Y251 AromaticContact NE2-CZ 3.66Å; H229-Y251 PolarHBondContact NE2-OH 3.42Å
230N96.6Very high97.2Very high79 Ų7938.5 Ų38.542%0.42223%0.23SC..  trans-85.499.7173.6-159.518000109.9K195 G196 T245 D246K195-N230 PolarHBondContact O-OD1 2.75Å; G196-N230 WeakPolarHBondContact CA-OD1 3.39Å; N230-T245 CarbonylContact O-C 3.6Å; N230-T245 VanDerWaalsContact O-CA 3.27Å; N230-T245 WeakPolarHBondContact O-CA 3.15Å; N230-T245 WeakPolarHBondContact O-CB 3.18Å; N230-D246 VanDerWaalsContact CG-OD2 3.23Å; N230-D246 PolarHBondContact ND2-OD2 3.48Å; N230-D246 PolarHBondContact O-N 3.08Å
231C98.3Very high97.2Very high0 Ų038.2 Ų38.20%023%0.227CC..EExtended strand (participates in β ladder)trans-78.1130.2-178-56.50000112.5K180 L192 G196 V198 H229 V243 L244K180-C231 PolarHBondContact NZ-O 3.27Å; L192-C231 HydrophobicContact CD1-CB 3.58Å; G196-C231 WeakPolarHBondContact CA-O 3.14Å; G196-C231 WeakPolarHBondContact O-CB 3.44Å; G196-C231 PolarHBondContact O-N 3.21Å; G196-C231 PolarHBondContact O-SG 3.13Å; G196-C231 VanDerWaalsContact O-SG 3.41Å; V198-C231 HydrophobicContact CG2-CB 3.91Å; H229-C231 PolarHBondContact O-N 3.36Å; C231-V243 HydrophobicContact CB-CG1 3.78Å; C231-V243 WeakPolarHBondContact SG-CG1 3.32Å; C231-L244 CarbonylContact C-O 3.4Å; C231-L244 WeakPolarHBondContact CA-O 3.44Å
232S98Very high97.3Very high34 Ų3432.9 Ų32.924%0.23821%0.207CC..EExtended strand (participates in β ladder)trans-98.5-38.4-175.269.90000112.1K180 L244 T245 D246K180-S232 PolarHBondContact NZ-O 3.33Å; S232-L244 PolarHBondContact N-O 3.13Å; S232-L244 WeakPolarHBondContact OG-CG 3.3Å; S232-L244 PolarHBondContact OG-O 3.5Å; S232-T245 PolarHBondContact OG-O 2.94Å; S232-D246 WeakPolarHBondContact CB-OD1 3.26Å
233Q98.4Very high97.3Very high49 Ų4931.2 Ų31.223%0.22920%0.199CC..EExtended strand (participates in β ladder)trans-148.5146.9-177.5-169.6-173.47.700111.3L244 V289Q233-L244 HydrophobicContact CB-CB 4.11Å; Q233-L244 HydrophobicContact CB-CD2 4.3Å; Q233-L244 PolarHBondContact N-O 3.47Å; Q233-L244 PolarHBondContact O-N 3.33Å; Q233-V289 HydrophobicContact CB-CG2 4.42Å; Q233-V289 HydrophobicContact CG-CG2 4.19Å; Q233-V289 PolarHBondContact NE2-O 2.98Å; Q233-V289 VanDerWaalsContact NE2-O 3.14Å
234V98.6Very high97.3Very high1 Ų131.3 Ų31.31%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-118.4147.4168.2-67.30000111.3Q181 V183 V190 L192 V198 V243Q181-V234 HydrophobicContact CB-CG2 4.47Å; Q181-V234 HydrophobicContact CG-CG2 4.16Å; Q181-V234 PolarHBondContact NE2-O 3.39Å; V183-V234 HydrophobicContact CG2-CG2 3.9Å; V190-V234 HydrophobicContact CG1-CB 3.99Å; V190-V234 HydrophobicContact CG1-CG1 3.93Å; V190-V234 HydrophobicContact CG1-CG2 4.07Å; L192-V234 HydrophobicContact CB-CG1 4.07Å; L192-V234 HydrophobicContact CB-CG2 3.94Å; L192-V234 HydrophobicContact CD1-CG1 4.43Å; L192-V234 HydrophobicContact CD2-CG1 4.23Å; L192-V234 HydrophobicContact CD2-CG2 4.42Å; L192-V234 HydrophobicContact CG-CG1 4.48Å; V198-V234 HydrophobicContact CG1-CG1 4.37Å; V198-V234 HydrophobicContact CG2-CG1 4Å; V234-V243 HydrophobicContact CG1-CG1 4.29Å; V234-V243 HydrophobicContact CG1-CG2 4.19Å
235A98.4Very high97.3Very high10 Ų1025.9 Ų25.98%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-137.8145.7166.900000108.7V242 V289 A291A235-V242 HydrophobicContact CB-CB 4.41Å; A235-V242 PolarHBondContact N-O 2.98Å; A235-V242 PolarHBondContact O-N 3.27Å; A235-V289 HydrophobicContact CB-CG2 4.02Å; A235-A291 HydrophobicContact CB-CB 4.15Å
236A97.9Very high97.2Very high12 Ų1228.3 Ų28.310%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-147.9155.5178.300000109.9V183 C185 H188 V190V183-A236 HydrophobicContact CG1-CB 3.9Å; C185-A236 PolarHBondContact SG-O 3.28Å; C185-A236 VanDerWaalsContact SG-O 3.33Å; H188-A236 WeakPolarHBondContact NE2-CB 3.15Å; V190-A236 HydrophobicContact CG2-CB 3.91Å
237A95.5Very high97.1Very high9 Ų933 Ų337%0.07420%0.201CC..  trans-133.7-162.3172.600000109.5H188 D239 H240 A291 G292H188-A237 PolarHBondContact CE1-O 3.49Å; A237-D239 VanDerWaalsContact C-N 3.31Å; A237-D239 PolarHBondContact O-N 2.75Å; A237-H240 PolarHBondContact N-O 3.28Å; A237-A291 HydrophobicContact CB-CB 3.98Å; A237-G292 WeakPolarHBondContact CB-O 3.19Å
238K95.1Very high97.2Very high50 Ų5029.2 Ų29.222%0.21718%0.176CC..SBendtrans-50.4-49.4-174.8-171.6-175.8168.2-166.60112.9F187 R208 R293F187-K238 HydrophobicContact CD2-CG 3.75Å; F187-K238 HydrophobicContact CE2-CD 4.26Å; F187-K238 HydrophobicContact CE2-CG 3.84Å; R208-K238 PolarHBondContact NH1-O 3.05Å; K238-R293 HydrophobicContact CB-CB 4.38Å; K238-R293 HydrophobicContact CB-CG 3.97Å; K238-R293 HydrophobicContact CD-CG 4.07Å; K238-R293 VanDerWaalsContact NZ-NH2 3.19Å
239D96.8Very high97.4Very high19 Ų1927 Ų2710%0.10215%0.149CC..SBendtrans-122.7-1.2-164.3-61.4-57.7000115.3R208 A237 L255R208-D239 IonicContact CZ-OD1 2.69Å; R208-D239 VanDerWaalsContact CZ-OD1 3.28Å; R208-D239 IonicContact NH1-OD1 2.62Å; R208-D239 PolarHBondContact NH1-OD1 2.76Å; R208-D239 IonicContact NH2-OD1 2.71Å; R208-D239 PolarHBondContact NH2-OD1 2.82Å; A237-D239 VanDerWaalsContact C-N 3.31Å; A237-D239 PolarHBondContact O-N 2.75Å; D239-L255 HydrophobicContact CB-CB 3.87Å; D239-L255 HydrophobicContact CB-CD2 4.23Å; D239-L255 PolarHBondContact O-N 3.07Å
240H98.4Very high97.5Very high0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-149.8162.7-179.174.7-75.3000112.9A237 F253 Q260 L261 G292 T296A237-H240 PolarHBondContact N-O 3.28Å; H240-F253 WeakPolarHBondContact CA-O 3.4Å; H240-F253 WeakPolarHBondContact CB-O 3.34Å; H240-Q260 HydrophobicContact CB-CG 4.45Å; H240-L261 HydrophobicContact CB-CD2 3.67Å; H240-G292 PolarHBondContact CE1-O 3.14Å; H240-G292 VanDerWaalsContact CE1-O 3.28Å; H240-T296 PolarHBondContact NE2-OG1 3.1Å; H240-T296 VanDerWaalsContact NE2-OG1 3.12Å
241T98.8Very high97.6Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-126.4140.8-179.8-55.60000109.6H188 V190 R208 V243 T252 F253H188-T241 PolarHBondContact NE2-OG1 2.7Å; V190-T241 HydrophobicContact CG1-CG2 4.4Å; V190-T241 HydrophobicContact CG2-CG2 3.98Å; R208-T241 PolarHBondContact O-OG1 2.94Å; T241-V243 HydrophobicContact CG2-CG2 4.2Å; T241-T252 WeakPolarHBondContact O-CA 3.33Å; T241-F253 VanDerWaalsContact CB-CE2 3.4Å; T241-F253 HydrophobicContact CG2-CE1 3.93Å; T241-F253 HydrophobicContact CG2-CE2 3.73Å; T241-F253 HydrophobicContact CG2-CZ 3.36Å; T241-F253 PolarHBondContact N-O 2.78Å; T241-F253 PolarHBondContact O-N 3.12Å; T241-F253 VanDerWaalsContact O-N 3.07Å
242V98.8Very high97.6Very high0 Ų021.3 Ų21.30%012%0.119CC..EExtended strand (participates in β ladder)trans-126.9130.3179.7-173.80000108.2A235 V250 Y251 T252 V289 A291 T296 L298A235-V242 HydrophobicContact CB-CB 4.41Å; A235-V242 PolarHBondContact N-O 2.98Å; A235-V242 PolarHBondContact O-N 3.27Å; V242-V250 HydrophobicContact CG1-CG1 3.69Å; V242-Y251 CarbonylContact C-O 3.55Å; V242-Y251 WeakPolarHBondContact CA-O 3.49Å; V242-T252 HydrophobicContact CB-CG2 4.42Å; V242-T252 HydrophobicContact CG1-CG2 4.09Å; V242-T252 HydrophobicContact CG2-CG2 4.1Å; V242-V289 HydrophobicContact CG1-CB 3.87Å; V242-V289 HydrophobicContact CG1-CG1 3.97Å; V242-V289 HydrophobicContact CG1-CG2 4.21Å; V242-A291 HydrophobicContact CG2-CB 4.34Å; V242-T296 HydrophobicContact CG1-CG2 4.2Å; V242-T296 HydrophobicContact CG2-CG2 3.89Å; V242-L298 HydrophobicContact CG1-CD2 4.49Å
243V98.8Very high97.6Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-127.1129.9-177.7-1750000108.9V198 L226 C231 V234 T241 V250 Y251 F253V198-V243 HydrophobicContact CG2-CG1 4.03Å; L226-V243 HydrophobicContact CD1-CB 4.33Å; L226-V243 HydrophobicContact CD1-CG1 4.15Å; L226-V243 HydrophobicContact CD1-CG2 3.92Å; C231-V243 HydrophobicContact CB-CG1 3.78Å; C231-V243 WeakPolarHBondContact SG-CG1 3.32Å; V234-V243 HydrophobicContact CG1-CG1 4.29Å; V234-V243 HydrophobicContact CG1-CG2 4.19Å; T241-V243 HydrophobicContact CG2-CG2 4.2Å; V243-V250 CarbonylContact O-C 3.56Å; V243-V250 WeakPolarHBondContact O-CA 3.42Å; V243-Y251 PolarHBondContact N-O 3.15Å; V243-Y251 PolarHBondContact O-N 2.67Å; V243-F253 HydrophobicContact CG2-CE1 3.8Å; V243-F253 HydrophobicContact CG2-CZ 4.29Å
244L98.7Very high97.6Very high4 Ų417.3 Ų17.32%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-104.1138.2172.6-178.664.9000109.2C231 S232 Q233 V250 I286 V289C231-L244 CarbonylContact C-O 3.4Å; C231-L244 WeakPolarHBondContact CA-O 3.44Å; S232-L244 PolarHBondContact N-O 3.13Å; S232-L244 WeakPolarHBondContact OG-CG 3.3Å; S232-L244 PolarHBondContact OG-O 3.5Å; Q233-L244 HydrophobicContact CB-CB 4.11Å; Q233-L244 HydrophobicContact CB-CD2 4.3Å; Q233-L244 PolarHBondContact N-O 3.47Å; Q233-L244 PolarHBondContact O-N 3.33Å; L244-V250 HydrophobicContact CD1-CG2 3.9Å; L244-I286 HydrophobicContact CD1-CB 3.86Å; L244-I286 HydrophobicContact CD1-CG2 3.68Å; L244-I286 HydrophobicContact CD2-CG2 4.43Å; L244-V289 HydrophobicContact CB-CG1 3.95Å; L244-V289 HydrophobicContact CB-CG2 4.01Å; L244-V289 HydrophobicContact CD1-CG1 4.39Å
245T98.1Very high97.6Very high2 Ų219.2 Ų19.21%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-102.2163.9173.453.30000111.4H229 N230 S232 D247 G248 C249 Y251H229-T245 HydrophobicContact CB-CG2 3.78Å; N230-T245 CarbonylContact O-C 3.6Å; N230-T245 VanDerWaalsContact O-CA 3.27Å; N230-T245 WeakPolarHBondContact O-CA 3.15Å; N230-T245 WeakPolarHBondContact O-CB 3.18Å; S232-T245 PolarHBondContact OG-O 2.94Å; T245-D247 WeakPolarHBondContact CB-OD1 2.92Å; T245-D247 PolarHBondContact O-N 3.08Å; T245-D247 PolarHBondContact OG1-OD1 3.29Å; T245-G248 PolarHBondContact O-N 3.23Å; T245-C249 PolarHBondContact N-O 2.86Å; T245-C249 WeakPolarHBondContact OG1-CA 3.36Å; T245-C249 VanDerWaalsContact OG1-CB 3.25Å; T245-C249 WeakPolarHBondContact OG1-CB 3.48Å; T245-C249 PolarHBondContact OG1-N 3.18Å; T245-C249 VanDerWaalsContact OG1-N 3.12Å; T245-C249 PolarHBondContact OG1-O 3.5Å; T245-Y251 HydrophobicContact CG2-CD2 4.06Å; T245-Y251 HydrophobicContact CG2-CE2 3.91Å
246D96.7Very high97.6Very high98 Ų9818.9 Ų18.952%0.52410%0.103SC..THydrogen-bonded Turntrans-63.7-28.6-179.4-74.8-27.1000113.5N230 S232 G248N230-D246 VanDerWaalsContact CG-OD2 3.23Å; N230-D246 PolarHBondContact ND2-OD2 3.48Å; N230-D246 PolarHBondContact O-N 3.08Å; S232-D246 WeakPolarHBondContact CB-OD1 3.26Å; D246-G248 PolarHBondContact O-N 3.08Å
247D94.8Very high97.5Very high103 Ų10322.8 Ų22.855%0.55112%0.121SC*.THydrogen-bonded Turntrans-79.31.8174.367.7-20.8000113.1T245 C249T245-D247 WeakPolarHBondContact CB-OD1 2.92Å; T245-D247 PolarHBondContact O-N 3.08Å; T245-D247 PolarHBondContact OG1-OD1 3.29Å; D247-C249 PolarHBondContact OD1-N 3.46Å; D247-C249 PolarHBondContact OD2-SG 3.17Å
248G95.9Very high97.5Very high7 Ų723.3 Ų23.37%0.07212%0.121CC..SBendtrans80.314.4176.300000114.8T245 D246 I286T245-G248 PolarHBondContact O-N 3.23Å; D246-G248 PolarHBondContact O-N 3.08Å; G248-I286 WeakPolarHBondContact CA-O 3.38Å
249C96.2Very high97.6Very high26 Ų2623.4 Ų23.418%0.17612%0.122CC..  trans-75.6143.9169.9-62.60000110.8T245 D247 Y251 Q275T245-C249 PolarHBondContact N-O 2.86Å; T245-C249 WeakPolarHBondContact OG1-CA 3.36Å; T245-C249 VanDerWaalsContact OG1-CB 3.25Å; T245-C249 WeakPolarHBondContact OG1-CB 3.48Å; T245-C249 PolarHBondContact OG1-N 3.18Å; T245-C249 VanDerWaalsContact OG1-N 3.12Å; T245-C249 PolarHBondContact OG1-O 3.5Å; D247-C249 PolarHBondContact OD1-N 3.46Å; D247-C249 PolarHBondContact OD2-SG 3.17Å; C249-Y251 HydrophobicContact CB-CE2 3.78Å; C249-Q275 HydrophobicContact CB-CG 4.43Å; C249-Q275 PolarHBondContact SG-NE2 2.75Å
250V98.2Very high97.7Very high1 Ų122.6 Ų22.61%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-116.6124.4179.7-177.90000109.3V242 V243 L244 T252 Q275 I276 I286 V289 L298V242-V250 HydrophobicContact CG1-CG1 3.69Å; V243-V250 CarbonylContact O-C 3.56Å; V243-V250 WeakPolarHBondContact O-CA 3.42Å; L244-V250 HydrophobicContact CD1-CG2 3.9Å; V250-T252 HydrophobicContact CG1-CG2 4.28Å; V250-Q275 CarbonylContact O-C 3.58Å; V250-Q275 VanDerWaalsContact O-CA 3.32Å; V250-Q275 WeakPolarHBondContact O-CA 3.31Å; V250-I276 HydrophobicContact CB-CD1 4.31Å; V250-I276 HydrophobicContact CG1-CD1 3.85Å; V250-I276 HydrophobicContact CG1-CG1 4.4Å; V250-I276 PolarHBondContact O-N 2.77Å; V250-I286 HydrophobicContact CG2-CB 3.98Å; V250-I286 HydrophobicContact CG2-CG1 3.89Å; V250-I286 HydrophobicContact CG2-CG2 3.93Å; V250-V289 HydrophobicContact CG1-CG1 4.27Å; V250-V289 HydrophobicContact CG2-CG1 4.14Å; V250-L298 HydrophobicContact CG1-CD2 3.87Å; V250-L298 HydrophobicContact CG2-CD2 4.18Å
251Y98.5Very high97.7Very high22 Ų2222.6 Ų22.69%0.08612%0.118CC..EExtended strand (participates in β ladder)trans-110.6137.5175.7-66.7-101.8000110.1L226 H229 V242 V243 T245 C249 P273 R274 Q275L226-Y251 HydrophobicContact CD2-CD1 4.12Å; L226-Y251 HydrophobicContact CD2-CD2 4.25Å; L226-Y251 HydrophobicContact CD2-CG 3.87Å; H229-Y251 AromaticContact CE1-CZ 3.73Å; H229-Y251 PolarHBondContact CE1-OH 3.27Å; H229-Y251 PolarHBondContact ND1-OH 2.8Å; H229-Y251 AromaticContact NE2-CZ 3.66Å; H229-Y251 PolarHBondContact NE2-OH 3.42Å; V242-Y251 CarbonylContact C-O 3.55Å; V242-Y251 WeakPolarHBondContact CA-O 3.49Å; V243-Y251 PolarHBondContact N-O 3.15Å; V243-Y251 PolarHBondContact O-N 2.67Å; T245-Y251 HydrophobicContact CG2-CD2 4.06Å; T245-Y251 HydrophobicContact CG2-CE2 3.91Å; C249-Y251 HydrophobicContact CB-CE2 3.78Å; Y251-P273 HydrophobicContact CD1-CB 4.27Å; Y251-R274 CarbonylContact C-O 3.38Å; Y251-R274 VanDerWaalsContact CA-O 3.29Å; Y251-R274 WeakPolarHBondContact CA-O 3.26Å; Y251-Q275 HydrophobicContact CD1-CB 4.08Å; Y251-Q275 HydrophobicContact CE1-CB 3.78Å; Y251-Q275 HydrophobicContact CE1-CG 4.29Å; Y251-Q275 HydrophobicContact CE2-CG 4.3Å
252T98.7Very high97.6Very high0 Ų022.6 Ų22.60%012%0.118CC..EExtended strand (participates in β ladder)trans-131.6147.7179.559.90000110.9T241 V242 V250 L261 R274 I276T241-T252 WeakPolarHBondContact O-CA 3.33Å; V242-T252 HydrophobicContact CB-CG2 4.42Å; V242-T252 HydrophobicContact CG1-CG2 4.09Å; V242-T252 HydrophobicContact CG2-CG2 4.1Å; V250-T252 HydrophobicContact CG1-CG2 4.28Å; T252-L261 PolarHBondContact OG1-O 3.47Å; T252-R274 PolarHBondContact N-O 2.82Å; T252-R274 PolarHBondContact O-N 3.23Å; T252-I276 HydrophobicContact CG2-CD1 3.84Å; T252-I276 HydrophobicContact CG2-CG1 4.12Å
253F98.8Very high97.4Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-156.5157.1175.749.9-85000110.7R208 L209 G210 L226 H240 T241 V243 C270 P273R208-F253 WeakPolarHBondContact O-CD2 3.28Å; R208-F253 VanDerWaalsContact O-CE2 3.26Å; R208-F253 WeakPolarHBondContact O-CE2 3.27Å; L209-F253 VanDerWaalsContact C-CE2 3.47Å; G210-F253 VanDerWaalsContact CA-CD2 3.4Å; L226-F253 HydrophobicContact CD1-CE1 4.28Å; H240-F253 WeakPolarHBondContact CA-O 3.4Å; H240-F253 WeakPolarHBondContact CB-O 3.34Å; T241-F253 VanDerWaalsContact CB-CE2 3.4Å; T241-F253 HydrophobicContact CG2-CE1 3.93Å; T241-F253 HydrophobicContact CG2-CE2 3.73Å; T241-F253 HydrophobicContact CG2-CZ 3.36Å; T241-F253 PolarHBondContact N-O 2.78Å; T241-F253 PolarHBondContact O-N 3.12Å; T241-F253 VanDerWaalsContact O-N 3.07Å; V243-F253 HydrophobicContact CG2-CE1 3.8Å; V243-F253 HydrophobicContact CG2-CZ 4.29Å; F253-C270 CarbonylContact C-O 3.23Å; F253-C270 WeakPolarHBondContact CA-O 3.13Å; F253-C270 WeakPolarHBondContact CB-O 3.33Å; F253-P273 HydrophobicContact CD1-CB 3.8Å; F253-P273 HydrophobicContact CD1-CG 3.73Å; F253-P273 HydrophobicContact CE1-CB 4.17Å; F253-P273 HydrophobicContact CE1-CG 3.85Å; F253-P273 HydrophobicContact CG-CG 4.39Å
254G98.6Very high97.2Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans118-159.8-172.600000113.8G206 S269 C270G206-G254 CarbonylContact O-C 3.57Å; G206-G254 WeakPolarHBondContact O-CA 3.17Å; G206-G254 VanDerWaalsContact O-O 3.12Å; G254-S269 CarbonylContact O-C 3.5Å; G254-S269 VanDerWaalsContact O-CA 3.29Å; G254-S269 WeakPolarHBondContact O-CA 3.41Å; G254-C270 PolarHBondContact N-O 3.02Å; G254-C270 PolarHBondContact O-N 3.18Å
255L97.9Very high97Very high40 Ų4030.6 Ų30.621%0.20917%0.167CC..EExtended strand (participates in β ladder)trans-77.5143-178.3-16267.3000110.5G206 D239 M257 Q260G206-L255 PolarHBondContact O-N 3.44Å; D239-L255 HydrophobicContact CB-CB 3.87Å; D239-L255 HydrophobicContact CB-CD2 4.23Å; D239-L255 PolarHBondContact O-N 3.07Å; L255-M257 HydrophobicContact CD1-CG 4.35Å; L255-M257 HydrophobicContact CD2-CG 4.05Å; L255-M257 HydrophobicContact CD2-SD 3.76Å; L255-M257 HydrophobicContact CG-CG 3.99Å; L255-M257 HydrophobicContact CG-SD 4.34Å; L255-Q260 PolarHBondContact O-NE2 3.08Å
256N97.8Very high96.8Very high3 Ų333.5 Ų33.52%0.01619%0.186CC..  trans-129.627.2-173.6-163.341.2000113.6F258 H259 Q260 L261 P267 A268N256-F258 PolarHBondContact O-N 3.45Å; N256-H259 PolarHBondContact O-N 3.15Å; N256-H259 WeakPolarHBondContact OD1-CA 3.42Å; N256-Q260 VanDerWaalsContact C-OE1 3.25Å; N256-Q260 PolarHBondContact OD1-N 3Å; N256-Q260 VanDerWaalsContact OD1-N 3.1Å; N256-L261 HydrophobicContact CB-CB 4.37Å; N256-L261 HydrophobicContact CB-CD1 3.65Å; N256-L261 HydrophobicContact CB-CG 3.7Å; N256-L261 VanDerWaalsContact OD1-CB 3.28Å; N256-L261 WeakPolarHBondContact OD1-CB 3.39Å; N256-L261 VanDerWaalsContact OD1-CG 3.31Å; N256-L261 WeakPolarHBondContact OD1-CG 3.4Å; N256-L261 PolarHBondContact OD1-N 2.6Å; N256-P267 VanDerWaalsContact CB-O 3.26Å; N256-P267 WeakPolarHBondContact CB-O 3.14Å; N256-P267 PolarHBondContact ND2-O 2.97Å; N256-A268 WeakPolarHBondContact CA-O 3.28Å; N256-A268 WeakPolarHBondContact CB-O 3.44Å; N256-A268 PolarHBondContact N-O 2.81Å
257M96.2Very high96.8Very high95 Ų9530.8 Ų30.847%0.46817%0.173SC..THydrogen-bonded Turntrans-55.6-25.8-179.7-74.5-179.756.700114.1L255 H397L255-M257 HydrophobicContact CD1-CG 4.35Å; L255-M257 HydrophobicContact CD2-CG 4.05Å; L255-M257 HydrophobicContact CD2-SD 3.76Å; L255-M257 HydrophobicContact CG-CG 3.99Å; L255-M257 HydrophobicContact CG-SD 4.34Å; M257-H397 VanDerWaalsContact CE-NE2 3.33Å; M257-H397 WeakPolarHBondContact CE-NE2 3.39Å
258F96.6Very high96.8Very high19 Ų1929.7 Ų29.78%0.08318%0.178CC..THydrogen-bonded Turntrans-112.213.9-178.6-57.1-68.2000112.2N256 Q260 F294 G308 L309 D394 H397N256-F258 PolarHBondContact O-N 3.45Å; F258-Q260 VanDerWaalsContact C-OE1 3.3Å; F258-Q260 VanDerWaalsContact CA-OE1 3.31Å; F258-Q260 PolarHBondContact O-N 3.39Å; F258-F294 HydrophobicContact CD1-CD1 4.47Å; F258-F294 AromaticContact CD2-CD1 3.58Å; F258-F294 HydrophobicContact CD2-CD1 3.58Å; F258-F294 HydrophobicContact CD2-CE1 4.27Å; F258-F294 HydrophobicContact CE1-CD1 4.37Å; F258-F294 AromaticContact CE2-CD1 3.47Å; F258-F294 HydrophobicContact CE2-CD1 3.47Å; F258-F294 VanDerWaalsContact CE2-CD1 3.47Å; F258-F294 AromaticContact CE2-CE1 3.67Å; F258-F294 HydrophobicContact CE2-CE1 3.67Å; F258-F294 HydrophobicContact CG-CD1 4.09Å; F258-F294 AromaticContact CZ-CD1 3.89Å; F258-F294 HydrophobicContact CZ-CD1 3.89Å; F258-F294 AromaticContact CZ-CE1 3.85Å; F258-F294 HydrophobicContact CZ-CE1 3.85Å; F258-G308 CarbonylContact O-C 3.57Å; F258-G308 WeakPolarHBondContact O-CA 3.34Å; F258-L309 HydrophobicContact CB-CB 4Å; F258-L309 HydrophobicContact CD1-CB 3.96Å; F258-L309 HydrophobicContact CD1-CD1 4.14Å; F258-L309 HydrophobicContact CD1-CD2 3.92Å; F258-L309 HydrophobicContact CD1-CG 4.24Å; F258-L309 HydrophobicContact CE1-CD2 4.02Å; F258-L309 HydrophobicContact CG-CB 4.15Å; F258-L309 PolarHBondContact O-N 3.18Å; F258-D394 VanDerWaalsContact CE1-OD2 3.27Å; F258-D394 WeakPolarHBondContact CE1-OD2 3.22Å; F258-H397 HydrophobicContact CZ-CB 4.12Å; F258-H397 AromaticContact CZ-CG 3.82Å; F258-H397 AromaticContact CZ-ND1 3.88Å
259H97.1Very high96.9Very high53 Ų5331.3 Ų31.325%0.24519%0.189CC..SBendtrans61.322.9-176.4-49.3-76.5000114.9N256 L261 G262 P266 T327N256-H259 PolarHBondContact O-N 3.15Å; N256-H259 WeakPolarHBondContact OD1-CA 3.42Å; H259-L261 PolarHBondContact O-N 3.46Å; H259-G262 PolarHBondContact O-N 2.86Å; H259-P266 WeakPolarHBondContact ND1-CB 3.29Å; H259-T327 HydrophobicContact CB-CG2 4.04Å
260Q97.6Very high97Very high1 Ų130.3 Ų30.31%0.00518%0.182CC..THydrogen-bonded Turntrans-66.3-14-178.861.4-94.864.500114.4H240 L255 N256 F258 T296H240-Q260 HydrophobicContact CB-CG 4.45Å; L255-Q260 PolarHBondContact O-NE2 3.08Å; N256-Q260 VanDerWaalsContact C-OE1 3.25Å; N256-Q260 PolarHBondContact OD1-N 3Å; N256-Q260 VanDerWaalsContact OD1-N 3.1Å; F258-Q260 VanDerWaalsContact C-OE1 3.3Å; F258-Q260 VanDerWaalsContact CA-OE1 3.31Å; F258-Q260 PolarHBondContact O-N 3.39Å; Q260-T296 WeakPolarHBondContact O-CB 3.46Å; Q260-T296 PolarHBondContact O-OG1 3.18Å
261L98.2Very high97Very high0 Ų032.2 Ų32.20%019%0.192CC..THydrogen-bonded Turntrans-82.2-23.2178-58.1-171.4000113.7H240 T252 N256 H259 I263 C270 I276H240-L261 HydrophobicContact CB-CD2 3.67Å; T252-L261 PolarHBondContact OG1-O 3.47Å; N256-L261 HydrophobicContact CB-CB 4.37Å; N256-L261 HydrophobicContact CB-CD1 3.65Å; N256-L261 HydrophobicContact CB-CG 3.7Å; N256-L261 VanDerWaalsContact OD1-CB 3.28Å; N256-L261 WeakPolarHBondContact OD1-CB 3.39Å; N256-L261 VanDerWaalsContact OD1-CG 3.31Å; N256-L261 WeakPolarHBondContact OD1-CG 3.4Å; N256-L261 PolarHBondContact OD1-N 2.6Å; H259-L261 PolarHBondContact O-N 3.46Å; L261-I263 VanDerWaalsContact C-N 3.26Å; L261-I263 HydrophobicContact CB-CG1 4.01Å; L261-I263 PolarHBondContact O-N 3.12Å; L261-C270 HydrophobicContact CD1-CB 3.66Å; L261-I276 WeakPolarHBondContact O-CG1 3.49Å
262G96.6Very high96.9Very high1 Ų134.1 Ų34.11%0.0121%0.206CC..  trans67.920.4-179.900000115.6H259 L307H259-G262 PolarHBondContact O-N 2.86Å; G262-L307 VanDerWaalsContact N-CD1 3.27Å
263I96.3Very high96.9Very high17 Ų1734.9 Ų34.99%0.08721%0.211CC..  trans-88.3139.7178.4-55.9-56.5000109.9L261 P265 P266 P267 R274 Q275 I276L261-I263 VanDerWaalsContact C-N 3.26Å; L261-I263 HydrophobicContact CB-CG1 4.01Å; L261-I263 PolarHBondContact O-N 3.12Å; I263-P265 CarbonylContact O-C 3.59Å; I263-P266 WeakPolarHBondContact O-CA 3.37Å; I263-P267 HydrophobicContact CB-CG 4.39Å; I263-P267 HydrophobicContact CG2-CG 4.34Å; I263-R274 HydrophobicContact CD1-CB 3.77Å; I263-R274 HydrophobicContact CG1-CB 4.23Å; I263-Q275 WeakPolarHBondContact CD1-O 3.42Å; I263-I276 HydrophobicContact CD1-CG1 4.36Å
264I93.8Very high96.9Very high43 Ų4341.4 Ų41.422%0.22124%0.235CC..SBendtrans-126.5132.3-178.9-58.2-64.9000110.8Q277 Y280 T328I264-Q277 PolarHBondContact O-NE2 3.11Å; I264-Y280 HydrophobicContact CB-CE2 4.02Å; I264-Y280 HydrophobicContact CG1-CD2 4.45Å; I264-Y280 HydrophobicContact CG1-CE2 3.67Å; I264-T328 HydrophobicContact CD1-CG2 3.57Å; I264-T328 HydrophobicContact CG1-CG2 3.69Å
265P93.8Very high96.8Very high112 Ų11245.3 Ų45.373%0.72725%0.254SS*.SBendcis-60.4150.6-10.728.2-35.2000111.4I263 P267I263-P265 CarbonylContact O-C 3.59Å; P265-P267 WeakPolarHBondContact O-CD 3.14Å
266P94.4Very high96.7Very high63 Ų6343.5 Ų43.541%0.40924%0.244SC..  trans-69.9114.2-172.626.4-32.8000111.5H259 I263H259-P266 WeakPolarHBondContact ND1-CB 3.29Å; I263-P266 WeakPolarHBondContact O-CA 3.37Å
267P96.1Very high96.4Very high40 Ų4046.8 Ų46.826%0.2626%0.259SS..  trans-77.8162.1172.735.8-35.9000110.1N256 I263 P265 S269N256-P267 VanDerWaalsContact CB-O 3.26Å; N256-P267 WeakPolarHBondContact CB-O 3.14Å; N256-P267 PolarHBondContact ND2-O 2.97Å; I263-P267 HydrophobicContact CB-CG 4.39Å; I263-P267 HydrophobicContact CG2-CG 4.34Å; P265-P267 WeakPolarHBondContact O-CD 3.14Å; P267-S269 WeakPolarHBondContact CB-O 3.38Å
268A96.2Very high96Very high80 Ų8045.1 Ų45.166%0.66126%0.26SS*.SBendtrans-70.8-34.9173.200000112.6N256N256-A268 WeakPolarHBondContact CA-O 3.28Å; N256-A268 WeakPolarHBondContact CB-O 3.44Å; N256-A268 PolarHBondContact N-O 2.81Å
269S97.6Very high95.6Very high42 Ų4250.4 Ų50.429%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-150.9165.317459.70000110.1G254 P267G254-S269 CarbonylContact O-C 3.5Å; G254-S269 VanDerWaalsContact O-CA 3.29Å; G254-S269 WeakPolarHBondContact O-CA 3.41Å; P267-S269 WeakPolarHBondContact CB-O 3.38Å
270C97.7Very high95.1Very high4 Ų450.9 Ų50.93%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-140.3110175.9-166.30000110.5F253 G254 L261 V272 R274F253-C270 CarbonylContact C-O 3.23Å; F253-C270 WeakPolarHBondContact CA-O 3.13Å; F253-C270 WeakPolarHBondContact CB-O 3.33Å; G254-C270 PolarHBondContact N-O 3.02Å; G254-C270 PolarHBondContact O-N 3.18Å; L261-C270 HydrophobicContact CD1-CB 3.66Å; C270-V272 PolarHBondContact SG-O 3.38Å; C270-R274 WeakPolarHBondContact SG-CD 3.39Å; C270-R274 WeakPolarHBondContact SG-CG 3.31Å; C270-R274 PolarHBondContact SG-NE 2.68Å
271N97.8Very high94.5Very high42 Ų4251.1 Ų51.123%0.22529%0.285CS..EExtended strand (participates in β ladder)trans-86.6-8.4-173.2-56.9-10.4000113.6G207 G210 H211 G212G207-N271 WeakPolarHBondContact CA-OD1 3.45Å; G207-N271 PolarHBondContact N-OD1 2.97Å; G210-N271 CarbonylContact C-O 3.35Å; G210-N271 WeakPolarHBondContact CA-O 3.26Å; H211-N271 PolarHBondContact N-O 3.25Å; G212-N271 WeakPolarHBondContact CA-O 3.37Å; G212-N271 PolarHBondContact N-O 3.08Å
272V98Very high93.6Very high61 Ų6158.4 Ų58.437%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-122.3150172.9-64.70000109.5C270 R274C270-V272 PolarHBondContact SG-O 3.38Å; V272-R274 PolarHBondContact O-N 3.2Å
273P98.5Very high92.6Very high16 Ų1661.6 Ų61.610%0.10435%0.349CS..EExtended strand (participates in β ladder)trans-53.8126.5173.3-23.932.3000111.9G210 V223 L226 Y251 F253G210-P273 WeakPolarHBondContact O-CD 3.47Å; V223-P273 HydrophobicContact CG1-CG 3.53Å; L226-P273 HydrophobicContact CD1-CB 4.4Å; L226-P273 HydrophobicContact CD1-CG 4.04Å; L226-P273 HydrophobicContact CD2-CB 3.84Å; L226-P273 HydrophobicContact CD2-CG 4.24Å; L226-P273 HydrophobicContact CG-CB 3.95Å; L226-P273 HydrophobicContact CG-CG 3.76Å; Y251-P273 HydrophobicContact CD1-CB 4.27Å; F253-P273 HydrophobicContact CD1-CB 3.8Å; F253-P273 HydrophobicContact CD1-CG 3.73Å; F253-P273 HydrophobicContact CE1-CB 4.17Å; F253-P273 HydrophobicContact CE1-CG 3.85Å; F253-P273 HydrophobicContact CG-CG 4.39Å
274R97.9Very high92.2Very high137 Ų13764.2 Ų64.252%0.51736%0.358SS..EExtended strand (participates in β ladder)trans-125.3139.2172.9-74.3-173.3-163.8-112.50.2111Y251 T252 I263 C270 V272Y251-R274 CarbonylContact C-O 3.38Å; Y251-R274 VanDerWaalsContact CA-O 3.29Å; Y251-R274 WeakPolarHBondContact CA-O 3.26Å; T252-R274 PolarHBondContact N-O 2.82Å; T252-R274 PolarHBondContact O-N 3.23Å; I263-R274 HydrophobicContact CD1-CB 3.77Å; I263-R274 HydrophobicContact CG1-CB 4.23Å; C270-R274 WeakPolarHBondContact SG-CD 3.39Å; C270-R274 WeakPolarHBondContact SG-CG 3.31Å; C270-R274 PolarHBondContact SG-NE 2.68Å; V272-R274 PolarHBondContact O-N 3.2Å
275Q96.4Very high92.1Very high83 Ų8366.4 Ų66.439%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-75.9135.1-179-163.6-173.32.200111.3C249 V250 Y251 I263 Q277C249-Q275 HydrophobicContact CB-CG 4.43Å; C249-Q275 PolarHBondContact SG-NE2 2.75Å; V250-Q275 CarbonylContact O-C 3.58Å; V250-Q275 VanDerWaalsContact O-CA 3.32Å; V250-Q275 WeakPolarHBondContact O-CA 3.31Å; Y251-Q275 HydrophobicContact CD1-CB 4.08Å; Y251-Q275 HydrophobicContact CE1-CB 3.78Å; Y251-Q275 HydrophobicContact CE1-CG 4.29Å; Y251-Q275 HydrophobicContact CE2-CG 4.3Å; I263-Q275 WeakPolarHBondContact CD1-O 3.42Å; Q275-Q277 PolarHBondContact O-N 3.22Å
276I96.1Very high92.2Very high2 Ų261.3 Ų61.31%0.0134%0.34CS..PPolyproline II helixtrans-69.2124.6164-61.6-179.3000108.1V250 T252 L261 I263 A278 L298 P329V250-I276 HydrophobicContact CB-CD1 4.31Å; V250-I276 HydrophobicContact CG1-CD1 3.85Å; V250-I276 HydrophobicContact CG1-CG1 4.4Å; V250-I276 PolarHBondContact O-N 2.77Å; T252-I276 HydrophobicContact CG2-CD1 3.84Å; T252-I276 HydrophobicContact CG2-CG1 4.12Å; L261-I276 WeakPolarHBondContact O-CG1 3.49Å; I263-I276 HydrophobicContact CD1-CG1 4.36Å; I276-A278 PolarHBondContact O-N 2.76Å; I276-L298 HydrophobicContact CD1-CD1 3.98Å; I276-P329 HydrophobicContact CG2-CG 3.87Å
277Q92.5Very high92.4Very high72 Ų7261.6 Ų61.634%0.33634%0.337SS..PPolyproline II helixtrans-64.2127.2-174.7-61.2176.913.300111.7I264 Q275 K279 Y280I264-Q277 PolarHBondContact O-NE2 3.11Å; Q275-Q277 PolarHBondContact O-N 3.22Å; Q277-K279 HydrophobicContact CB-CG 4.28Å; Q277-K279 PolarHBondContact O-N 2.82Å; Q277-Y280 HydrophobicContact CB-CD2 3.86Å; Q277-Y280 HydrophobicContact CB-CE2 4.02Å; Q277-Y280 PolarHBondContact O-N 2.62Å
278A86.8Confident92.5Very high59 Ų5959.7 Ų59.749%0.48833%0.325SS..G310 helixtrans-57.3-26.5-175.800000114.6I276 Y280 L281 K282 G283I276-A278 PolarHBondContact O-N 2.76Å; A278-Y280 PolarHBondContact O-N 3.08Å; A278-L281 CarbonylContact O-C 3.54Å; A278-L281 WeakPolarHBondContact O-CA 3.48Å; A278-L281 PolarHBondContact O-N 2.9Å; A278-K282 PolarHBondContact O-N 2.84Å; A278-G283 PolarHBondContact O-N 3.38Å
279K89.1Confident92.6Very high130 Ų13055.9 Ų55.957%0.56529%0.294SS*.G310 helixtrans-58-33.5176.974.2-171.2-169-161.60112.7Q277 L281 K282Q277-K279 HydrophobicContact CB-CG 4.28Å; Q277-K279 PolarHBondContact O-N 2.82Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 2.91Å; K279-K282 PolarHBondContact O-N 2.81Å
280Y86.7Confident92.6Very high63 Ų6354.3 Ų54.325%0.24728%0.283CS..G310 helixtrans-78.3-12.7177.9-59.6-61.9000113.1I264 Q277 A278 T328I264-Y280 HydrophobicContact CB-CE2 4.02Å; I264-Y280 HydrophobicContact CG1-CD2 4.45Å; I264-Y280 HydrophobicContact CG1-CE2 3.67Å; Q277-Y280 HydrophobicContact CB-CD2 3.86Å; Q277-Y280 HydrophobicContact CB-CE2 4.02Å; Q277-Y280 PolarHBondContact O-N 2.62Å; A278-Y280 PolarHBondContact O-N 3.08Å; Y280-T328 HydrophobicContact CD1-CG2 3.81Å; Y280-T328 HydrophobicContact CD2-CG2 4.32Å; Y280-T328 HydrophobicContact CE1-CG2 3.83Å; Y280-T328 HydrophobicContact CE2-CG2 4.34Å; Y280-T328 HydrophobicContact CG-CG2 4.07Å
281L84.1Confident92.7Very high7 Ų754.7 Ų54.74%0.03729%0.287CS..G310 helixtrans-97.47.1173.3-58.4176.4000112A278 K279 G283 R284 I286 L298 P329A278-L281 CarbonylContact O-C 3.54Å; A278-L281 WeakPolarHBondContact O-CA 3.48Å; A278-L281 PolarHBondContact O-N 2.9Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 2.91Å; L281-G283 PolarHBondContact O-N 2.95Å; L281-R284 WeakPolarHBondContact O-CB 3.35Å; L281-R284 WeakPolarHBondContact O-CG 3.41Å; L281-R284 PolarHBondContact O-N 2.87Å; L281-I286 HydrophobicContact CD1-CD1 4.1Å; L281-I286 HydrophobicContact CD1-CG1 3.75Å; L281-I286 HydrophobicContact CD2-CD1 4.13Å; L281-L298 HydrophobicContact CD2-CD1 3.95Å; L281-P329 HydrophobicContact CD2-CB 3.69Å; L281-P329 HydrophobicContact CD2-CG 3.84Å
282K80.1Confident92.6Very high152 Ų15252.8 Ų52.866%0.66128%0.277SS*.THydrogen-bonded Turntrans51.436.8-178.7-57.5-178.6179.4178.60112.7A278 K279 R284A278-K282 PolarHBondContact O-N 2.84Å; K279-K282 PolarHBondContact O-N 2.81Å; K282-R284 VanDerWaalsContact C-N 3.25Å; K282-R284 PolarHBondContact O-N 3.26Å
283G75.5Confident92.5Very high68 Ų6852.4 Ų52.470%0.70127%0.269SS*.THydrogen-bonded Turntrans70.513.2179.900000115.2A278 L281A278-G283 PolarHBondContact O-N 3.38Å; L281-G283 PolarHBondContact O-N 2.95Å
284R86.6Confident92.4Very high73 Ų7351.9 Ų51.928%0.27527%0.265SS..PPolyproline II helixtrans-86.3137178.1-56.7-169.2-175.7-142.4-12.7111.7L281 K282 I286 T300 E302 Y305L281-R284 WeakPolarHBondContact O-CB 3.35Å; L281-R284 WeakPolarHBondContact O-CG 3.41Å; L281-R284 PolarHBondContact O-N 2.87Å; K282-R284 VanDerWaalsContact C-N 3.25Å; K282-R284 PolarHBondContact O-N 3.26Å; R284-I286 PolarHBondContact O-N 2.83Å; R284-T300 HydrophobicContact CB-CG2 3.81Å; R284-E302 IonicContact CZ-OE2 3.87Å; R284-E302 IonicContact NH1-OE2 3.92Å; R284-E302 PolarHBondContact NH1-OE2 3.2Å; R284-E302 IonicContact NH2-OE2 3.47Å; R284-Y305 VanDerWaalsContact CD-OH 3.27Å; R284-Y305 WeakPolarHBondContact CD-OH 3.44Å; R284-Y305 PolarHBondContact NE-OH 3.06Å
285T91.8Very high92.4Very high89 Ų8945.3 Ų45.355%0.54624%0.24SC..PPolyproline II helixtrans-74.8120.3174.3-49.30000110.6T300T285-T300 WeakPolarHBondContact O-CG2 3.28Å
286I97.3Very high92.5Very high4 Ų441.4 Ų41.42%0.02122%0.222CC..PPolyproline II helixtrans-72.8135.6175.1-59.8-54.3000109.3L244 G248 V250 L281 R284 G288 V289 L298 T300L244-I286 HydrophobicContact CD1-CB 3.86Å; L244-I286 HydrophobicContact CD1-CG2 3.68Å; L244-I286 HydrophobicContact CD2-CG2 4.43Å; G248-I286 WeakPolarHBondContact CA-O 3.38Å; V250-I286 HydrophobicContact CG2-CB 3.98Å; V250-I286 HydrophobicContact CG2-CG1 3.89Å; V250-I286 HydrophobicContact CG2-CG2 3.93Å; L281-I286 HydrophobicContact CD1-CD1 4.1Å; L281-I286 HydrophobicContact CD1-CG1 3.75Å; L281-I286 HydrophobicContact CD2-CD1 4.13Å; R284-I286 PolarHBondContact O-N 2.83Å; I286-G288 WeakPolarHBondContact CG2-O 3.42Å; I286-V289 HydrophobicContact CG2-CG1 4.16Å; I286-L298 HydrophobicContact CD1-CB 4.03Å; I286-L298 HydrophobicContact CG2-CB 4.35Å; I286-T300 HydrophobicContact CD1-CG2 3.87Å
287I97.2Very high92.6Very high69 Ų6941.3 Ų41.335%0.35422%0.221SC..  trans-111.5-7.2178.971.4174.5000112.4W299 R301I287-W299 PolarHBondContact N-O 3.41Å; I287-R301 HydrophobicContact CD1-CB 4.46Å; I287-R301 HydrophobicContact CD1-CG 3.64Å
288G98.2Very high92.9Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-169.7158.3174.500000114.7I286 W299I286-G288 WeakPolarHBondContact CG2-O 3.42Å; G288-W299 VanDerWaalsContact C-CH2 3.45Å; G288-W299 VanDerWaalsContact CA-CE2 3.48Å; G288-W299 VanDerWaalsContact CA-CZ2 3.43Å; G288-W299 PolarHBondContact N-O 3.46Å; G288-W299 WeakPolarHBondContact O-CZ3 3.05Å; G288-W299 PolarHBondContact O-N 2.89Å
289V98.7Very high93.4Very high1 Ų135.5 Ų35.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-133.4147-177.7-62.30000112.4Q233 A235 V242 L244 V250 I286 V297 L298 W299Q233-V289 HydrophobicContact CB-CG2 4.42Å; Q233-V289 HydrophobicContact CG-CG2 4.19Å; Q233-V289 PolarHBondContact NE2-O 2.98Å; Q233-V289 VanDerWaalsContact NE2-O 3.14Å; A235-V289 HydrophobicContact CB-CG2 4.02Å; V242-V289 HydrophobicContact CG1-CB 3.87Å; V242-V289 HydrophobicContact CG1-CG1 3.97Å; V242-V289 HydrophobicContact CG1-CG2 4.21Å; L244-V289 HydrophobicContact CB-CG1 3.95Å; L244-V289 HydrophobicContact CB-CG2 4.01Å; L244-V289 HydrophobicContact CD1-CG1 4.39Å; V250-V289 HydrophobicContact CG1-CG1 4.27Å; V250-V289 HydrophobicContact CG2-CG1 4.14Å; I286-V289 HydrophobicContact CG2-CG1 4.16Å; V289-V297 WeakPolarHBondContact CA-O 3.46Å; V289-L298 HydrophobicContact CB-CD2 4.39Å; V289-L298 HydrophobicContact CG1-CD2 3.69Å; V289-W299 VanDerWaalsContact N-CH2 3.26Å; V289-W299 WeakPolarHBondContact O-CH2 3.01Å; V289-W299 WeakPolarHBondContact O-CZ3 3.41Å
290A98.6Very high93.7Very high8 Ų829.7 Ų29.77%0.06616%0.159CC..EExtended strand (participates in β ladder)trans-145.1153.4172.900000109.9V297 W299 A347A290-V297 HydrophobicContact CB-CB 4.3Å; A290-V297 PolarHBondContact N-O 2.78Å; A290-V297 PolarHBondContact O-N 3.16Å; A290-W299 HydrophobicContact CB-CZ3 3.94Å; A290-A347 HydrophobicContact CB-CB 4.16Å
291A98.1Very high94.1Very high13 Ų1334.6 Ų34.611%0.10718%0.177CC..EExtended strand (participates in β ladder)trans-133.1130.6-176.900000110.5A235 A237 V242A235-A291 HydrophobicContact CB-CB 4.15Å; A237-A291 HydrophobicContact CB-CB 3.98Å; V242-A291 HydrophobicContact CG2-CB 4.34Å
292G96.4Very high94.5Very high1 Ų139.8 Ų39.81%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-106.2167.8164.100000109.6A237 H240 F294 H295 S348A237-G292 WeakPolarHBondContact CB-O 3.19Å; H240-G292 PolarHBondContact CE1-O 3.14Å; H240-G292 VanDerWaalsContact CE1-O 3.28Å; G292-F294 PolarHBondContact O-N 2.99Å; G292-H295 PolarHBondContact N-O 2.9Å; G292-H295 PolarHBondContact O-N 3.28Å; G292-S348 WeakPolarHBondContact CA-O 3.41Å
293R95.2Very high95.2Very high54 Ų5432.5 Ų32.520%0.20417%0.169CC..THydrogen-bonded Turntrans-52.2-37.1-178171.4174.5174.8-164.9-7113.8K238 D349K238-R293 HydrophobicContact CB-CB 4.38Å; K238-R293 HydrophobicContact CB-CG 3.97Å; K238-R293 HydrophobicContact CD-CG 4.07Å; K238-R293 VanDerWaalsContact NZ-NH2 3.19Å; R293-D349 HydrophobicContact CB-CB 4.39Å; R293-D349 WeakPolarHBondContact CB-OD1 3.34Å
294F96.9Very high96.2Very high4 Ų429.3 Ų29.32%0.01814%0.136CC..THydrogen-bonded Turntrans-112.50-171.6-57.5-80.6000114F258 G292 G308 L309 M389 H397 L398F258-F294 HydrophobicContact CD1-CD1 4.47Å; F258-F294 AromaticContact CD2-CD1 3.58Å; F258-F294 HydrophobicContact CD2-CD1 3.58Å; F258-F294 HydrophobicContact CD2-CE1 4.27Å; F258-F294 HydrophobicContact CE1-CD1 4.37Å; F258-F294 AromaticContact CE2-CD1 3.47Å; F258-F294 HydrophobicContact CE2-CD1 3.47Å; F258-F294 VanDerWaalsContact CE2-CD1 3.47Å; F258-F294 AromaticContact CE2-CE1 3.67Å; F258-F294 HydrophobicContact CE2-CE1 3.67Å; F258-F294 HydrophobicContact CG-CD1 4.09Å; F258-F294 AromaticContact CZ-CD1 3.89Å; F258-F294 HydrophobicContact CZ-CD1 3.89Å; F258-F294 AromaticContact CZ-CE1 3.85Å; F258-F294 HydrophobicContact CZ-CE1 3.85Å; G292-F294 PolarHBondContact O-N 2.99Å; F294-G308 VanDerWaalsContact O-CA 3.32Å; F294-G308 WeakPolarHBondContact O-CA 3.34Å; F294-L309 HydrophobicContact CB-CB 3.96Å; F294-L309 HydrophobicContact CB-CD2 4.48Å; F294-L309 HydrophobicContact CD1-CD2 4.12Å; F294-L309 HydrophobicContact CG-CD2 4.38Å; F294-L309 PolarHBondContact O-N 3.06Å; F294-M389 HydrophobicContact CB-CE 4.27Å; F294-M389 HydrophobicContact CD2-CE 4.04Å; F294-M389 HydrophobicContact CD2-SD 3.34Å; F294-M389 WeakPolarHBondContact CD2-SD 3.44Å; F294-M389 HydrophobicContact CE2-SD 3.67Å; F294-M389 HydrophobicContact CG-CE 4.26Å; F294-M389 HydrophobicContact CG-SD 4.15Å; F294-H397 HydrophobicContact CE1-CB 4.47Å; F294-L398 HydrophobicContact CE1-CD2 4.4Å; F294-L398 HydrophobicContact CE2-CD2 3.94Å; F294-L398 HydrophobicContact CZ-CD2 3.73Å
295H98.3Very high96.7Very high0 Ų026 Ų260%012%0.124CC..EExtended strand (participates in β ladder)trans-155.1157.7-170.573.3-80.7000113.6G292 L307 Q313 L314 S348 T352G292-H295 PolarHBondContact N-O 2.9Å; G292-H295 PolarHBondContact O-N 3.28Å; H295-L307 CarbonylContact C-O 3.22Å; H295-L307 WeakPolarHBondContact CA-O 3.36Å; H295-L307 WeakPolarHBondContact CB-O 3.4Å; H295-Q313 WeakPolarHBondContact CE1-CG 3.26Å; H295-Q313 PolarHBondContact ND1-NE2 3.34Å; H295-L314 HydrophobicContact CB-CD2 3.44Å; H295-L314 VanDerWaalsContact CB-CD2 3.44Å; H295-S348 PolarHBondContact CE1-O 3.37Å; H295-T352 PolarHBondContact NE2-OG1 2.58Å
296T98.7Very high97Very high0 Ų021.8 Ų21.80%010%0.098CC..EExtended strand (participates in β ladder)trans-116.3144.2172.6-65.50000109.1H240 V242 Q260 L298 L307H240-T296 PolarHBondContact NE2-OG1 3.1Å; H240-T296 VanDerWaalsContact NE2-OG1 3.12Å; V242-T296 HydrophobicContact CG1-CG2 4.2Å; V242-T296 HydrophobicContact CG2-CG2 3.89Å; Q260-T296 WeakPolarHBondContact O-CB 3.46Å; Q260-T296 PolarHBondContact O-OG1 3.18Å; T296-L298 HydrophobicContact CG2-CD2 3.66Å; T296-L298 HydrophobicContact CG2-CG 4.23Å; T296-L307 HydrophobicContact CG2-CD2 4.03Å; T296-L307 PolarHBondContact N-O 2.65Å; T296-L307 WeakPolarHBondContact O-CD2 3.31Å; T296-L307 PolarHBondContact O-N 3.29Å; T296-L307 VanDerWaalsContact O-N 3.11Å
297V98.7Very high97.1Very high0 Ų021.6 Ų21.60%010%0.097CC..EExtended strand (participates in β ladder)trans-123.6128.6175.7-164.90000109.1V289 A290 V304 Y305 T306 V345 A347 T352V289-V297 WeakPolarHBondContact CA-O 3.46Å; A290-V297 HydrophobicContact CB-CB 4.3Å; A290-V297 PolarHBondContact N-O 2.78Å; A290-V297 PolarHBondContact O-N 3.16Å; V297-V304 HydrophobicContact CG1-CG1 3.65Å; V297-Y305 WeakPolarHBondContact CA-O 3.46Å; V297-T306 HydrophobicContact CB-CG2 4.49Å; V297-T306 HydrophobicContact CG1-CG2 3.95Å; V297-T306 HydrophobicContact CG2-CG2 4.16Å; V297-V345 HydrophobicContact CB-CG1 4.37Å; V297-V345 HydrophobicContact CG1-CG1 3.73Å; V297-A347 HydrophobicContact CG2-CB 4.02Å; V297-T352 HydrophobicContact CG1-CG2 4.13Å; V297-T352 HydrophobicContact CG2-CG2 3.87Å
298L98.4Very high97.1Very high0 Ų018.3 Ų18.30%08%0.08CC..EExtended strand (participates in β ladder)trans-121.4143.6177.1-44.8174.8000107.6V242 V250 I276 L281 I286 V289 T296 Y305 L307 P329V242-L298 HydrophobicContact CG1-CD2 4.49Å; V250-L298 HydrophobicContact CG1-CD2 3.87Å; V250-L298 HydrophobicContact CG2-CD2 4.18Å; I276-L298 HydrophobicContact CD1-CD1 3.98Å; L281-L298 HydrophobicContact CD2-CD1 3.95Å; I286-L298 HydrophobicContact CD1-CB 4.03Å; I286-L298 HydrophobicContact CG2-CB 4.35Å; V289-L298 HydrophobicContact CB-CD2 4.39Å; V289-L298 HydrophobicContact CG1-CD2 3.69Å; T296-L298 HydrophobicContact CG2-CD2 3.66Å; T296-L298 HydrophobicContact CG2-CG 4.23Å; L298-Y305 PolarHBondContact N-O 3.27Å; L298-Y305 PolarHBondContact O-N 3.01Å; L298-L307 HydrophobicContact CD1-CD2 4.27Å; L298-L307 HydrophobicContact CG-CD2 4.3Å; L298-P329 HydrophobicContact CD1-CB 4.29Å; L298-P329 HydrophobicContact CD1-CG 4.02Å
299W97.6Very high97Very high10 Ų1018.5 Ų18.54%0.0388%0.081CC..EExtended strand (participates in β ladder)trans-141.9156.7174.368.696.6000113.6I287 G288 V289 A290 A303 V304 V342 V345I287-W299 PolarHBondContact N-O 3.41Å; G288-W299 VanDerWaalsContact C-CH2 3.45Å; G288-W299 VanDerWaalsContact CA-CE2 3.48Å; G288-W299 VanDerWaalsContact CA-CZ2 3.43Å; G288-W299 PolarHBondContact N-O 3.46Å; G288-W299 WeakPolarHBondContact O-CZ3 3.05Å; G288-W299 PolarHBondContact O-N 2.89Å; V289-W299 VanDerWaalsContact N-CH2 3.26Å; V289-W299 WeakPolarHBondContact O-CH2 3.01Å; V289-W299 WeakPolarHBondContact O-CZ3 3.41Å; A290-W299 HydrophobicContact CB-CZ3 3.94Å; W299-A303 WeakPolarHBondContact CA-O 3.24Å; W299-V304 HydrophobicContact CB-CG2 4.2Å; W299-V342 HydrophobicContact CB-CG1 4.23Å; W299-V342 HydrophobicContact CG-CG1 4.06Å; W299-V345 HydrophobicContact CB-CG2 4.18Å; W299-V345 HydrophobicContact CD2-CB 3.85Å; W299-V345 HydrophobicContact CD2-CG2 3.54Å; W299-V345 HydrophobicContact CE3-CB 3.53Å; W299-V345 HydrophobicContact CE3-CG1 4.24Å; W299-V345 HydrophobicContact CE3-CG2 3.69Å; W299-V345 HydrophobicContact CG-CG2 3.77Å; W299-V345 HydrophobicContact CH2-CB 3.95Å; W299-V345 HydrophobicContact CZ2-CB 4.25Å; W299-V345 HydrophobicContact CZ3-CB 3.56Å; W299-V345 HydrophobicContact CZ3-CG1 4.31Å; W299-V345 HydrophobicContact CZ3-CG2 4.22Å
300T95.9Very high96.9Very high8 Ų818.7 Ų18.75%0.0498%0.082CC..  trans-116.1-178.7170.568.10000107.1R284 T285 I286 E302 A303 Y305R284-T300 HydrophobicContact CB-CG2 3.81Å; T285-T300 WeakPolarHBondContact O-CG2 3.28Å; I286-T300 HydrophobicContact CD1-CG2 3.87Å; T300-E302 PolarHBondContact O-N 3.29Å; T300-E302 PolarHBondContact OG1-N 3.26Å; T300-A303 PolarHBondContact N-O 2.83Å; T300-A303 PolarHBondContact OG1-N 3.1Å; T300-A303 PolarHBondContact OG1-O 3.26Å; T300-Y305 HydrophobicContact CG2-CE2 4.06Å
301R93.9Very high96.8Very high166 Ų16618.4 Ų18.463%0.6268%0.08SC*.SBendtrans-63.4-23.4171.5-66.1-169.4-177-84.90.6113I287 A341 V342I287-R301 HydrophobicContact CD1-CB 4.46Å; I287-R301 HydrophobicContact CD1-CG 3.64Å; R301-A341 CarbonylContact O-C 3.56Å; R301-A341 WeakPolarHBondContact O-CA 3.47Å; R301-V342 PolarHBondContact O-N 3.16Å
302E92.9Very high96.6Very high115 Ų11517.8 Ų17.854%0.5377%0.074SC..SBendtrans-114.2-11.8-168.7-63.4175.9-175.100114.4R284 T300R284-E302 IonicContact CZ-OE2 3.87Å; R284-E302 IonicContact NH1-OE2 3.92Å; R284-E302 PolarHBondContact NH1-OE2 3.2Å; R284-E302 IonicContact NH2-OE2 3.47Å; T300-E302 PolarHBondContact O-N 3.29Å; T300-E302 PolarHBondContact OG1-N 3.26Å
303A94.1Very high96.6Very high0 Ų017.7 Ų17.70%07%0.074CC..  trans-153.8141.4-168.500000111.7W299 T300 Y305 Q331W299-A303 WeakPolarHBondContact CA-O 3.24Å; T300-A303 PolarHBondContact N-O 2.83Å; T300-A303 PolarHBondContact OG1-N 3.1Å; T300-A303 PolarHBondContact OG1-O 3.26Å; A303-Y305 HydrophobicContact CB-CD2 4.43Å; A303-Y305 HydrophobicContact CB-CE2 3.63Å; A303-Q331 HydrophobicContact CB-CG 4.22Å
304V97.3Very high96.7Very high1 Ų115.1 Ų15.11%0.0066%0.064CC..EExtended strand (participates in β ladder)trans-105.4135.2166.8179.10000108.2V297 W299 T306 Q331 V332 L335 V342 V345V297-V304 HydrophobicContact CG1-CG1 3.65Å; W299-V304 HydrophobicContact CB-CG2 4.2Å; V304-T306 HydrophobicContact CG1-CG2 4.43Å; V304-Q331 WeakPolarHBondContact O-CA 3.18Å; V304-V332 HydrophobicContact CB-CB 4.44Å; V304-V332 HydrophobicContact CB-CG2 4.3Å; V304-V332 HydrophobicContact CG1-CG2 4.07Å; V304-V332 PolarHBondContact O-N 3.32Å; V304-L335 HydrophobicContact CB-CD1 4.18Å; V304-L335 HydrophobicContact CG2-CD1 3.89Å; V304-V342 HydrophobicContact CG2-CG1 4.12Å; V304-V342 HydrophobicContact CG2-CG2 3.88Å; V304-V345 HydrophobicContact CG2-CG2 4.4Å
305Y97.6Very high96.6Very high3 Ų315.5 Ų15.51%0.0127%0.069CC..EExtended strand (participates in β ladder)trans-119136.1175.7-58.8-93.7000109.6R284 V297 L298 T300 A303 P329 R330 Q331R284-Y305 VanDerWaalsContact CD-OH 3.27Å; R284-Y305 WeakPolarHBondContact CD-OH 3.44Å; R284-Y305 PolarHBondContact NE-OH 3.06Å; V297-Y305 WeakPolarHBondContact CA-O 3.46Å; L298-Y305 PolarHBondContact N-O 3.27Å; L298-Y305 PolarHBondContact O-N 3.01Å; T300-Y305 HydrophobicContact CG2-CE2 4.06Å; A303-Y305 HydrophobicContact CB-CD2 4.43Å; A303-Y305 HydrophobicContact CB-CE2 3.63Å; Y305-P329 HydrophobicContact CD1-CB 4.35Å; Y305-P329 HydrophobicContact CG-CB 4.45Å; Y305-R330 CarbonylContact C-O 3.51Å; Y305-R330 VanDerWaalsContact CA-O 3.27Å; Y305-R330 WeakPolarHBondContact CA-O 3.44Å; Y305-Q331 HydrophobicContact CD1-CB 4.01Å; Y305-Q331 HydrophobicContact CE1-CB 3.81Å; Y305-Q331 HydrophobicContact CE1-CG 4.23Å
306T98.2Very high96.5Very high0 Ų016.1 Ų16.10%07%0.072CC..EExtended strand (participates in β ladder)trans-129143.8-179.640.90000110.1V297 V304 L314 H316 V326 R330 V332V297-T306 HydrophobicContact CB-CG2 4.49Å; V297-T306 HydrophobicContact CG1-CG2 3.95Å; V297-T306 HydrophobicContact CG2-CG2 4.16Å; V304-T306 HydrophobicContact CG1-CG2 4.43Å; T306-L314 HydrophobicContact CG2-CB 4.49Å; T306-L314 PolarHBondContact OG1-O 3.3Å; T306-H316 PolarHBondContact OG1-CE1 3.49Å; T306-H316 PolarHBondContact OG1-NE2 3.24Å; T306-V326 WeakPolarHBondContact O-CG1 3.42Å; T306-R330 PolarHBondContact N-O 3.29Å; T306-R330 PolarHBondContact O-N 3.23Å; T306-V332 HydrophobicContact CG2-CG2 3.94Å; T306-V332 WeakPolarHBondContact OG1-CG2 3.38Å
307L97.9Very high96.2Very high0 Ų022.7 Ų22.70%011%0.106CC..EExtended strand (participates in β ladder)trans-148.4153.1177.460.8151.7000109.9G262 H295 T296 L298 V326 P329G262-L307 VanDerWaalsContact N-CD1 3.27Å; H295-L307 CarbonylContact C-O 3.22Å; H295-L307 WeakPolarHBondContact CA-O 3.36Å; H295-L307 WeakPolarHBondContact CB-O 3.4Å; T296-L307 HydrophobicContact CG2-CD2 4.03Å; T296-L307 PolarHBondContact N-O 2.65Å; T296-L307 WeakPolarHBondContact O-CD2 3.31Å; T296-L307 PolarHBondContact O-N 3.29Å; T296-L307 VanDerWaalsContact O-N 3.11Å; L298-L307 HydrophobicContact CD1-CD2 4.27Å; L298-L307 HydrophobicContact CG-CD2 4.3Å; L307-V326 WeakPolarHBondContact CA-O 3.21Å; L307-V326 HydrophobicContact CB-CG1 4.37Å; L307-V326 WeakPolarHBondContact CB-O 3.43Å; L307-P329 HydrophobicContact CD2-CB 4.37Å; L307-P329 HydrophobicContact CD2-CG 4.19Å
308G97.8Very high95.7Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans124.3-164.2-173.700000113.7F258 F294 N310 C325 V326F258-G308 CarbonylContact O-C 3.57Å; F258-G308 WeakPolarHBondContact O-CA 3.34Å; F294-G308 VanDerWaalsContact O-CA 3.32Å; F294-G308 WeakPolarHBondContact O-CA 3.34Å; G308-N310 PolarHBondContact O-N 2.88Å; G308-C325 CarbonylContact O-C 3.53Å; G308-C325 VanDerWaalsContact O-CA 3.3Å; G308-C325 WeakPolarHBondContact O-CA 3.17Å; G308-V326 PolarHBondContact N-O 3.33Å; G308-V326 PolarHBondContact O-N 2.77Å
309L96.9Very high95.2Very high4 Ų428.9 Ų28.92%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-68.2126.9173.3-174.564.1000110.6F258 F294 G311 Q313 K324 M389 V393 D394 L398F258-L309 HydrophobicContact CB-CB 4Å; F258-L309 HydrophobicContact CD1-CB 3.96Å; F258-L309 HydrophobicContact CD1-CD1 4.14Å; F258-L309 HydrophobicContact CD1-CD2 3.92Å; F258-L309 HydrophobicContact CD1-CG 4.24Å; F258-L309 HydrophobicContact CE1-CD2 4.02Å; F258-L309 HydrophobicContact CG-CB 4.15Å; F258-L309 PolarHBondContact O-N 3.18Å; F294-L309 HydrophobicContact CB-CB 3.96Å; F294-L309 HydrophobicContact CB-CD2 4.48Å; F294-L309 HydrophobicContact CD1-CD2 4.12Å; F294-L309 HydrophobicContact CG-CD2 4.38Å; F294-L309 PolarHBondContact O-N 3.06Å; L309-G311 PolarHBondContact O-N 2.98Å; L309-Q313 PolarHBondContact O-NE2 3.25Å; L309-Q313 PolarHBondContact O-OE1 2.97Å; L309-K324 HydrophobicContact CD1-CB 4.25Å; L309-M389 HydrophobicContact CB-CE 4.42Å; L309-M389 HydrophobicContact CD2-CE 3.77Å; L309-M389 HydrophobicContact CG-CE 4.08Å; L309-V393 HydrophobicContact CD1-CG1 3.65Å; L309-V393 HydrophobicContact CG-CG1 4.27Å; L309-D394 HydrophobicContact CD2-CB 4.12Å; L309-L398 HydrophobicContact CD2-CD1 4.32Å
310N96.6Very high94.6Very high6 Ų634.5 Ų34.53%0.03218%0.176CC..  trans-9288.9175.3-168.318.3000111.3G308 G312 L314 H316 L317 K324G308-N310 PolarHBondContact O-N 2.88Å; N310-G312 PolarHBondContact OD1-N 3.41Å; N310-L314 HydrophobicContact CB-CD1 3.74Å; N310-L314 HydrophobicContact CB-CG 4.29Å; N310-H316 PolarHBondContact ND2-O 3.31Å; N310-L317 PolarHBondContact ND2-O 3.36Å; N310-K324 WeakPolarHBondContact CB-O 3.16Å; N310-K324 PolarHBondContact N-O 2.8Å
311G95.1Very high94.1Very high1 Ų140.9 Ų40.91%0.0121%0.21CC..SBendtrans-99.717.8169.800000113.3L309 M389 E390L309-G311 PolarHBondContact O-N 2.98Å; G311-M389 WeakPolarHBondContact O-CA 3.17Å; G311-E390 PolarHBondContact O-N 3.38Å; G311-E390 VanDerWaalsContact O-N 3.09Å
312G94.2Very high93.7Very high0 Ų035.5 Ų35.50%021%0.206CC..SBendtrans106.6-6.5-178.600000115.5N310 A365 D366 Y367N310-G312 PolarHBondContact OD1-N 3.41Å; G312-A365 CarbonylContact O-C 3.58Å; G312-A365 VanDerWaalsContact O-C 3.23Å; G312-A365 VanDerWaalsContact O-CA 3.3Å; G312-A365 WeakPolarHBondContact O-CA 3.34Å; G312-D366 PolarHBondContact O-N 3.47Å; G312-Y367 PolarHBondContact O-N 2.72Å
313Q96.3Very high93.4Very high0 Ų035.5 Ų35.50%021%0.206CC..  trans-93.2-7.5-175.983.3-68.915.900114.9H295 L309 G350 T352H295-Q313 WeakPolarHBondContact CE1-CG 3.26Å; H295-Q313 PolarHBondContact ND1-NE2 3.34Å; L309-Q313 PolarHBondContact O-NE2 3.25Å; L309-Q313 PolarHBondContact O-OE1 2.97Å; Q313-G350 WeakPolarHBondContact CB-O 3.27Å; Q313-T352 WeakPolarHBondContact O-CB 3.46Å; Q313-T352 PolarHBondContact O-OG1 3.47Å
314L97.4Very high93.4Very high0 Ų040.5 Ų40.50%023%0.228CC..SBendtrans-86.8-15-178.2-53.7-170.4000113.2H295 T306 N310 H316 V326 V332H295-L314 HydrophobicContact CB-CD2 3.44Å; H295-L314 VanDerWaalsContact CB-CD2 3.44Å; T306-L314 HydrophobicContact CG2-CB 4.49Å; T306-L314 PolarHBondContact OG1-O 3.3Å; N310-L314 HydrophobicContact CB-CD1 3.74Å; N310-L314 HydrophobicContact CB-CG 4.29Å; L314-H316 VanDerWaalsContact C-N 3.31Å; L314-V326 HydrophobicContact CD1-CB 4.22Å; L314-V326 HydrophobicContact CD1-CG2 3.94Å; L314-V332 WeakPolarHBondContact O-CG2 3.45Å
315G95.3Very high93.3Very high11 Ų1141.6 Ų41.611%0.11324%0.236CC..SBendtrans74.423-172.900000113.7
316H95.1Very high93.2Very high14 Ų1441.6 Ų41.67%0.06524%0.236CC..  trans-112.7143.8169.4-54.3-47.9000109.4T306 N310 L314 Q331 Y367T306-H316 PolarHBondContact OG1-CE1 3.49Å; T306-H316 PolarHBondContact OG1-NE2 3.24Å; N310-H316 PolarHBondContact ND2-O 3.31Å; L314-H316 VanDerWaalsContact C-N 3.31Å; H316-Q331 PolarHBondContact CE1-O 3.18Å; H316-Y367 WeakPolarHBondContact O-CD1 3.5Å
317L92.8Very high93.1Very high137 Ų13744.3 Ų44.372%0.71725%0.252SS*.PPolyproline II helixtrans-64.7162.4168.4-61.9176.6000110.3N310 D319N310-L317 PolarHBondContact ND2-O 3.36Å; L317-D319 PolarHBondContact O-N 3.2Å
318L89.3Confident92.9Very high96 Ų9646.2 Ų46.250%0.50326%0.264SS..PPolyproline II helixtrans-56.6136.8169.6-78.9169.5000110.1P320 Y367L318-P320 WeakPolarHBondContact O-CD 3.32Å; L318-Y367 HydrophobicContact CD2-CE1 3.64Å; L318-Y367 WeakPolarHBondContact CD2-OH 3.36Å; L318-Y367 HydrophobicContact CG-CD1 4.15Å; L318-Y367 HydrophobicContact CG-CE1 3.64Å; L318-Y367 HydrophobicContact CG-CE2 4.42Å
319D86.3Confident92.8Very high35 Ų3546.7 Ų46.719%0.18727%0.267CS..PPolyproline II helixtrans-72127175.7-162.8-77000109.4L317 N321 G322 E323L317-D319 PolarHBondContact O-N 3.2Å; D319-N321 PolarHBondContact O-N 3.23Å; D319-N321 WeakPolarHBondContact OD1-CA 3.41Å; D319-N321 WeakPolarHBondContact OD1-CB 3.18Å; D319-N321 PolarHBondContact OD1-N 3.15Å; D319-N321 PolarHBondContact OD1-ND2 3.23Å; D319-N321 VanDerWaalsContact OD1-ND2 3.1Å; D319-G322 PolarHBondContact O-N 3.16Å; D319-E323 HydrophobicContact CB-CB 3.91Å; D319-E323 WeakPolarHBondContact CB-O 3.41Å
320P85.3Confident92.8Very high127 Ų12750.7 Ų50.783%0.82528%0.282SS*.THydrogen-bonded Turntrans-59.6-25177.8-24.234.4000113.9L318 G322L318-P320 WeakPolarHBondContact O-CD 3.32Å; P320-G322 VanDerWaalsContact C-N 3.27Å
321N86.8Confident92.7Very high143 Ų14352.4 Ų52.477%0.76529%0.29SS*.THydrogen-bonded Turntrans-86.50.9178.9-49.5-57.5000112.4D319D319-N321 PolarHBondContact O-N 3.23Å; D319-N321 WeakPolarHBondContact OD1-CA 3.41Å; D319-N321 WeakPolarHBondContact OD1-CB 3.18Å; D319-N321 PolarHBondContact OD1-N 3.15Å; D319-N321 PolarHBondContact OD1-ND2 3.23Å; D319-N321 VanDerWaalsContact OD1-ND2 3.1Å
322G83.8Confident92.8Very high52 Ų5252.4 Ų52.454%0.53629%0.289SS..  trans79.913.3179.500000114.4D319 P320 K324D319-G322 PolarHBondContact O-N 3.16Å; P320-G322 VanDerWaalsContact C-N 3.27Å; G322-K324 PolarHBondContact O-N 2.7Å; G322-K324 VanDerWaalsContact O-N 3.17Å
323E87.9Confident92.8Very high116 Ų11656.9 Ų56.954%0.54232%0.321SS..  trans-64.4114.6169.7-72.2-168.1171.100110.6D319D319-E323 HydrophobicContact CB-CB 3.91Å; D319-E323 WeakPolarHBondContact CB-O 3.41Å
324K92.9Very high92.7Very high104 Ų10459.5 Ų59.545%0.45234%0.343SS..  trans-87.4-24.1-176.9-64.1168.5170-165.60112.8L309 N310 G322 V393L309-K324 HydrophobicContact CD1-CB 4.25Å; N310-K324 WeakPolarHBondContact CB-O 3.16Å; N310-K324 PolarHBondContact N-O 2.8Å; G322-K324 PolarHBondContact O-N 2.7Å; G322-K324 VanDerWaalsContact O-N 3.17Å; K324-V393 HydrophobicContact CB-CG1 3.74Å; K324-V393 HydrophobicContact CD-CG1 4.17Å; K324-V393 WeakPolarHBondContact CD-O 3.07Å; K324-V393 WeakPolarHBondContact CE-O 3.33Å; K324-V393 HydrophobicContact CG-CG1 3.82Å; K324-V393 PolarHBondContact NZ-O 2.8Å
325C95.6Very high92.5Very high25 Ų2559.6 Ų59.617%0.16934%0.343CS..EExtended strand (participates in β ladder)trans-120.1139.1-173.5-64.70000111.6G308G308-C325 CarbonylContact O-C 3.53Å; G308-C325 VanDerWaalsContact O-CA 3.3Å; G308-C325 WeakPolarHBondContact O-CA 3.17Å
326V96.4Very high92.3Very high3 Ų363.8 Ų63.82%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-94.4105.2171.3176.20000108.1T306 L307 G308 L314 T328 R330T306-V326 WeakPolarHBondContact O-CG1 3.42Å; L307-V326 WeakPolarHBondContact CA-O 3.21Å; L307-V326 HydrophobicContact CB-CG1 4.37Å; L307-V326 WeakPolarHBondContact CB-O 3.43Å; G308-V326 PolarHBondContact N-O 3.33Å; G308-V326 PolarHBondContact O-N 2.77Å; L314-V326 HydrophobicContact CD1-CB 4.22Å; L314-V326 HydrophobicContact CD1-CG2 3.94Å; V326-T328 WeakPolarHBondContact CG1-O 3.33Å; V326-R330 HydrophobicContact CG1-CB 3.46Å; V326-R330 VanDerWaalsContact CG1-CB 3.46Å; V326-R330 HydrophobicContact CG1-CG 4.48Å
327T94.8Very high91.9Very high56 Ų5668.3 Ų68.334%0.34438%0.381SS..EExtended strand (participates in β ladder)trans-82-24.4-170.256.70000114.6H259H259-T327 HydrophobicContact CB-CG2 4.04Å
328T94.4Very high91.5Very high41 Ų4171.8 Ų71.825%0.25239%0.39SS..EExtended strand (participates in β ladder)trans-123.7150.5176.754.10000109.5I264 Y280 V326 R330I264-T328 HydrophobicContact CD1-CG2 3.57Å; I264-T328 HydrophobicContact CG1-CG2 3.69Å; Y280-T328 HydrophobicContact CD1-CG2 3.81Å; Y280-T328 HydrophobicContact CD2-CG2 4.32Å; Y280-T328 HydrophobicContact CE1-CG2 3.83Å; Y280-T328 HydrophobicContact CE2-CG2 4.34Å; Y280-T328 HydrophobicContact CG-CG2 4.07Å; V326-T328 WeakPolarHBondContact CG1-O 3.33Å; T328-R330 PolarHBondContact O-N 2.95Å
329P96.4Very high91.2Very high9 Ų971.3 Ų71.36%0.05839%0.388CS..EExtended strand (participates in β ladder)trans-49.1110.3178.2-26.932.5000112.4I276 L281 L298 Y305 L307I276-P329 HydrophobicContact CG2-CG 3.87Å; L281-P329 HydrophobicContact CD2-CB 3.69Å; L281-P329 HydrophobicContact CD2-CG 3.84Å; L298-P329 HydrophobicContact CD1-CB 4.29Å; L298-P329 HydrophobicContact CD1-CG 4.02Å; Y305-P329 HydrophobicContact CD1-CB 4.35Å; Y305-P329 HydrophobicContact CG-CB 4.45Å; L307-P329 HydrophobicContact CD2-CB 4.37Å; L307-P329 HydrophobicContact CD2-CG 4.19Å
330R95.6Very high91.4Very high89 Ų8970.3 Ų70.334%0.33638%0.382SS..EExtended strand (participates in β ladder)trans-105.1131.2-179.6-173.1-174.6-67.5-168.6-0.4109.5Y305 T306 V326 T328Y305-R330 CarbonylContact C-O 3.51Å; Y305-R330 VanDerWaalsContact CA-O 3.27Å; Y305-R330 WeakPolarHBondContact CA-O 3.44Å; T306-R330 PolarHBondContact N-O 3.29Å; T306-R330 PolarHBondContact O-N 3.23Å; V326-R330 HydrophobicContact CG1-CB 3.46Å; V326-R330 VanDerWaalsContact CG1-CB 3.46Å; V326-R330 HydrophobicContact CG1-CG 4.48Å; T328-R330 PolarHBondContact O-N 2.95Å
331Q95.4Very high91.9Very high41 Ų4166 Ų6619%0.19236%0.357CS..EExtended strand (participates in β ladder)trans-70.4133.3-179.3-170.6176.311.900111.2A303 V304 Y305 H316 S333 H336A303-Q331 HydrophobicContact CB-CG 4.22Å; V304-Q331 WeakPolarHBondContact O-CA 3.18Å; Y305-Q331 HydrophobicContact CD1-CB 4.01Å; Y305-Q331 HydrophobicContact CE1-CB 3.81Å; Y305-Q331 HydrophobicContact CE1-CG 4.23Å; H316-Q331 PolarHBondContact CE1-O 3.18Å; Q331-S333 PolarHBondContact O-N 3.17Å; Q331-H336 PolarHBondContact NE2-CE1 2.75Å; Q331-H336 VanDerWaalsContact NE2-CG 3.33Å; Q331-H336 PolarHBondContact NE2-ND1 3.42Å
332V96.3Very high92.3Very high1 Ų159.3 Ų59.31%0.00632%0.321CS..  trans-77.9100.7175.2-176.80000109.3V304 T306 L314 A334 L335 H336 L364V304-V332 HydrophobicContact CB-CB 4.44Å; V304-V332 HydrophobicContact CB-CG2 4.3Å; V304-V332 HydrophobicContact CG1-CG2 4.07Å; V304-V332 PolarHBondContact O-N 3.32Å; T306-V332 HydrophobicContact CG2-CG2 3.94Å; T306-V332 WeakPolarHBondContact OG1-CG2 3.38Å; L314-V332 WeakPolarHBondContact O-CG2 3.45Å; V332-A334 VanDerWaalsContact C-N 3.29Å; V332-A334 HydrophobicContact CG1-CB 4.48Å; V332-A334 PolarHBondContact O-N 3.2Å; V332-L335 HydrophobicContact CG1-CB 4.4Å; V332-L335 HydrophobicContact CG1-CD1 4.17Å; V332-L335 HydrophobicContact CG1-CG 4.11Å; V332-L335 PolarHBondContact O-N 2.89Å; V332-L335 VanDerWaalsContact O-N 3.12Å; V332-H336 PolarHBondContact O-N 2.99Å; V332-L364 HydrophobicContact CG1-CD1 4.16Å; V332-L364 HydrophobicContact CG1-CD2 4.36Å; V332-L364 HydrophobicContact CG2-CD1 4.28Å
333S94.7Very high92.9Very high95 Ų9558.6 Ų58.666%0.66431%0.309SS*.G310 helixtrans-59-36.8-175.5540000113.3Q331 L335 H336Q331-S333 PolarHBondContact O-N 3.17Å; S333-L335 PolarHBondContact O-N 3.35Å; S333-L335 VanDerWaalsContact O-N 3.12Å; S333-H336 PolarHBondContact O-N 2.94Å
334A94Very high93.4Very high55 Ų5554.9 Ų54.946%0.45529%0.292SS..G310 helixtrans-63-18.3179.400000114.1V332 C369V332-A334 VanDerWaalsContact C-N 3.29Å; V332-A334 HydrophobicContact CG1-CB 4.48Å; V332-A334 PolarHBondContact O-N 3.2Å; A334-C369 HydrophobicContact CB-CB 3.52Å
335L94Very high93.7Very high2 Ų250.5 Ų50.51%0.0127%0.274CS..G310 helixtrans-106.63.2176.7-63.4177.6000112.6V304 V332 S333 H337 C354 Y362 L364V304-L335 HydrophobicContact CB-CD1 4.18Å; V304-L335 HydrophobicContact CG2-CD1 3.89Å; V332-L335 HydrophobicContact CG1-CB 4.4Å; V332-L335 HydrophobicContact CG1-CD1 4.17Å; V332-L335 HydrophobicContact CG1-CG 4.11Å; V332-L335 PolarHBondContact O-N 2.89Å; V332-L335 VanDerWaalsContact O-N 3.12Å; S333-L335 PolarHBondContact O-N 3.35Å; S333-L335 VanDerWaalsContact O-N 3.12Å; L335-H337 PolarHBondContact O-N 2.96Å; L335-C354 HydrophobicContact CD1-CB 3.86Å; L335-C354 VanDerWaalsContact CD1-SG 3.59Å; L335-Y362 HydrophobicContact CD2-CD1 3.6Å; L335-Y362 HydrophobicContact CD2-CD2 4.09Å; L335-Y362 HydrophobicContact CD2-CE1 4.01Å; L335-Y362 HydrophobicContact CD2-CE2 4.49Å; L335-Y362 HydrophobicContact CD2-CG 3.61Å; L335-L364 HydrophobicContact CD1-CD1 4.35Å; L335-L364 HydrophobicContact CD1-CD2 4.28Å
336H89.6Confident93.8Very high99 Ų9949.8 Ų49.846%0.45827%0.27SS..  trans-92.483.8179.4-171.450.3000110.8Q331 V332 S333Q331-H336 PolarHBondContact NE2-CE1 2.75Å; Q331-H336 VanDerWaalsContact NE2-CG 3.33Å; Q331-H336 PolarHBondContact NE2-ND1 3.42Å; V332-H336 PolarHBondContact O-N 2.99Å; S333-H336 PolarHBondContact O-N 2.94Å
337H87.7Confident93.9Very high109 Ų10950.6 Ų50.651%0.50528%0.277SS..  trans-136.3147.4174.4-163.7-92.3000110L335 D339 I340L335-H337 PolarHBondContact O-N 2.96Å; H337-D339 IonicContact CE1-OD2 3.98Å; H337-D339 PolarHBondContact CE1-OD2 2.91Å; H337-D339 PolarHBondContact ND1-N 3.09Å; H337-D339 IonicContact ND1-OD2 3.8Å; H337-D339 PolarHBondContact ND1-OD2 2.62Å; H337-D339 PolarHBondContact O-N 3.18Å; H337-I340 HydrophobicContact CB-CD1 3.88Å; H337-I340 HydrophobicContact CB-CG1 4.05Å; H337-I340 PolarHBondContact O-N 3.05Å
338K83.4Confident93.9Very high210 Ų21048.3 Ų48.391%0.91326%0.263SS*.THydrogen-bonded Turntrans-56-26.8-179-69.7-175.9178-177.90113.5
339D84.4Confident93.8Very high85 Ų8548.7 Ų48.746%0.45526%0.264SS..THydrogen-bonded Turntrans-89.3-4.5-178.7-66.4-52.1000114.6H337 R358H337-D339 IonicContact CE1-OD2 3.98Å; H337-D339 PolarHBondContact CE1-OD2 2.91Å; H337-D339 PolarHBondContact ND1-N 3.09Å; H337-D339 IonicContact ND1-OD2 3.8Å; H337-D339 PolarHBondContact ND1-OD2 2.62Å; H337-D339 PolarHBondContact O-N 3.18Å; D339-R358 PolarHBondContact O-NH1 3.27Å; D339-R358 PolarHBondContact O-NH2 3.17Å; D339-R358 IonicContact OD1-NH1 3.45Å
340I89.9Confident93.7Very high15 Ų1548.3 Ų48.38%0.07726%0.262CS..  trans-100103.7-178.8-65.4175.6000108H337 V342 T356H337-I340 HydrophobicContact CB-CD1 3.88Å; H337-I340 HydrophobicContact CB-CG1 4.05Å; H337-I340 PolarHBondContact O-N 3.05Å; I340-V342 HydrophobicContact CG2-CG2 4.14Å; I340-T356 HydrophobicContact CG2-CG2 3.88Å
341A95.3Very high93.7Very high36 Ų3644.1 Ų44.130%0.29825%0.246SC..  trans-103.2110.7168.300000109.3R301 T356 T357R301-A341 CarbonylContact O-C 3.56Å; R301-A341 WeakPolarHBondContact O-CA 3.47Å; A341-T356 CarbonylContact O-C 3.03Å; A341-T356 WeakPolarHBondContact O-CA 3.42Å; A341-T356 VanDerWaalsContact O-CB 3.27Å; A341-T356 WeakPolarHBondContact O-CB 3.44Å; A341-T357 HydrophobicContact CB-CG2 4.08Å; A341-T357 WeakPolarHBondContact CB-OG1 3.38Å; A341-T357 PolarHBondContact O-N 3.41Å
342V96.6Very high93.9Very high2 Ų242.1 Ų42.11%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-77.7141.1-176.1-174.60000110.4W299 R301 V304 I340 V345W299-V342 HydrophobicContact CB-CG1 4.23Å; W299-V342 HydrophobicContact CG-CG1 4.06Å; R301-V342 PolarHBondContact O-N 3.16Å; V304-V342 HydrophobicContact CG2-CG1 4.12Å; V304-V342 HydrophobicContact CG2-CG2 3.88Å; I340-V342 HydrophobicContact CG2-CG2 4.14Å; V342-V345 HydrophobicContact CG1-CG2 3.74Å
343S96.4Very high93.9Very high38 Ų3842.1 Ų42.127%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-124.8-48.1-177.560.60000112.9V355 T356S343-V355 PolarHBondContact N-O 3.04Å; S343-V355 PolarHBondContact OG-O 3.08Å; S343-T356 PolarHBondContact OG-O 3.18Å
344L97.8Very high94.1Very high38 Ų3837.7 Ų37.720%0.19921%0.205CC..EExtended strand (participates in β ladder)trans-136.6145.1-178-56.6167.6000109.4V355 L379 V382L344-V355 HydrophobicContact CB-CB 4.08Å; L344-V355 HydrophobicContact CB-CG2 4.34Å; L344-V355 PolarHBondContact N-O 2.85Å; L344-V355 PolarHBondContact O-N 3.24Å; L344-L379 HydrophobicContact CD1-CB 4.13Å; L344-V382 HydrophobicContact CB-CG1 3.66Å
345V98.4Very high94.3Very high12 Ų1235.1 Ų35.17%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-139.4142172.6-177.40000109V297 W299 V304 V342 T352 V353 C354V297-V345 HydrophobicContact CB-CG1 4.37Å; V297-V345 HydrophobicContact CG1-CG1 3.73Å; W299-V345 HydrophobicContact CB-CG2 4.18Å; W299-V345 HydrophobicContact CD2-CB 3.85Å; W299-V345 HydrophobicContact CD2-CG2 3.54Å; W299-V345 HydrophobicContact CE3-CB 3.53Å; W299-V345 HydrophobicContact CE3-CG1 4.24Å; W299-V345 HydrophobicContact CE3-CG2 3.69Å; W299-V345 HydrophobicContact CG-CG2 3.77Å; W299-V345 HydrophobicContact CH2-CB 3.95Å; W299-V345 HydrophobicContact CZ2-CB 4.25Å; W299-V345 HydrophobicContact CZ3-CB 3.56Å; W299-V345 HydrophobicContact CZ3-CG1 4.31Å; W299-V345 HydrophobicContact CZ3-CG2 4.22Å; V304-V345 HydrophobicContact CG2-CG2 4.4Å; V342-V345 HydrophobicContact CG1-CG2 3.74Å; V345-T352 HydrophobicContact CG1-CG2 3.77Å; V345-V353 CarbonylContact C-O 3.22Å; V345-V353 WeakPolarHBondContact CA-O 3.43Å; V345-V353 WeakPolarHBondContact CG1-O 3.3Å; V345-C354 HydrophobicContact CG2-CB 4.31Å
346A98.1Very high94.4Very high10 Ų1035.2 Ų35.28%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-133150.9172.700000110.2T352 V353 V382 V384A346-T352 CarbonylContact O-C 3.5Å; A346-T352 WeakPolarHBondContact O-CA 3.2Å; A346-V353 PolarHBondContact N-O 3.45Å; A346-V353 PolarHBondContact O-N 3.27Å; A346-V382 HydrophobicContact CB-CG1 3.98Å; A346-V382 WeakPolarHBondContact CB-O 3.49Å; A346-V384 HydrophobicContact CB-CG1 3.89Å; A346-V384 WeakPolarHBondContact O-CG1 3.46Å
347A97.8Very high94.6Very high19 Ų1934.1 Ų34.116%0.15719%0.185CC..EExtended strand (participates in β ladder)trans-130.1143.6-179.400000110.7A290 V297 V384A290-A347 HydrophobicContact CB-CB 4.16Å; V297-A347 HydrophobicContact CG2-CB 4.02Å; A347-V384 VanDerWaalsContact C-CG1 3.49Å
348S95.4Very high94.9Very high9 Ų934.5 Ų34.56%0.06318%0.182CC..  trans-120.8-172168.765.10000109.3G292 H295 G350 A351 G386G292-S348 WeakPolarHBondContact CA-O 3.41Å; H295-S348 PolarHBondContact CE1-O 3.37Å; S348-G350 VanDerWaalsContact C-N 3.31Å; S348-G350 PolarHBondContact O-N 2.98Å; S348-A351 PolarHBondContact N-O 3.34Å; S348-A351 PolarHBondContact OG-N 3.17Å; S348-A351 VanDerWaalsContact OG-N 3.15Å; S348-A351 PolarHBondContact OG-O 3.29Å; S348-G386 WeakPolarHBondContact CB-O 3.46Å; S348-G386 PolarHBondContact OG-O 3.15Å
349D92.3Very high95.4Very high49 Ų4924.6 Ų24.626%0.26214%0.14SC..SBendtrans-59.8-40.3177.8-67.5-3000112.6R293 R447R293-D349 HydrophobicContact CB-CB 4.39Å; R293-D349 WeakPolarHBondContact CB-OD1 3.34Å; D349-R447 IonicContact OD2-CZ 3.49Å; D349-R447 IonicContact OD2-NH2 3.28Å; D349-R447 PolarHBondContact OD2-NH2 2.91Å
350G94.3Very high95.9Very high1 Ų121.3 Ų21.31%0.0112%0.122CC..BIsolated β-bridgetrans-128.116.7-173.200000115.2Q313 S348 G386Q313-G350 WeakPolarHBondContact CB-O 3.27Å; S348-G350 VanDerWaalsContact C-N 3.31Å; S348-G350 PolarHBondContact O-N 2.98Å; G350-G386 PolarHBondContact N-O 3.24Å
351A96.2Very high96.3Very high0 Ų020.6 Ų20.60%012%0.118CC..  trans-150.5153.8176.100000112.2S348 L363 L364 A365 V384 I406S348-A351 PolarHBondContact N-O 3.34Å; S348-A351 PolarHBondContact OG-N 3.17Å; S348-A351 VanDerWaalsContact OG-N 3.15Å; S348-A351 PolarHBondContact OG-O 3.29Å; A351-L363 HydrophobicContact CB-CD1 3.95Å; A351-L364 WeakPolarHBondContact CA-O 3.47Å; A351-A365 HydrophobicContact CB-CB 4.38Å; A351-V384 HydrophobicContact CB-CG2 3.98Å; A351-I406 HydrophobicContact CB-CD1 4.24Å; A351-I406 HydrophobicContact CB-CG1 4.45Å
352T98.4Very high96.4Very high0 Ų020 Ų200%011%0.108CC..EExtended strand (participates in β ladder)trans-128.4131.9168.9-55.30000109H295 V297 Q313 V345 A346 L364H295-T352 PolarHBondContact NE2-OG1 2.58Å; V297-T352 HydrophobicContact CG1-CG2 4.13Å; V297-T352 HydrophobicContact CG2-CG2 3.87Å; Q313-T352 WeakPolarHBondContact O-CB 3.46Å; Q313-T352 PolarHBondContact O-OG1 3.47Å; V345-T352 HydrophobicContact CG1-CG2 3.77Å; A346-T352 CarbonylContact O-C 3.5Å; A346-T352 WeakPolarHBondContact O-CA 3.2Å; T352-L364 HydrophobicContact CG2-CD1 4.18Å; T352-L364 PolarHBondContact N-O 3.44Å; T352-L364 PolarHBondContact O-N 2.97Å
353V98.3Very high96.4Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans-113.3129.6177.7173.10000109.5V345 A346 V355 I361 Y362 L363 V382 V384 V408V345-V353 CarbonylContact C-O 3.22Å; V345-V353 WeakPolarHBondContact CA-O 3.43Å; V345-V353 WeakPolarHBondContact CG1-O 3.3Å; A346-V353 PolarHBondContact N-O 3.45Å; A346-V353 PolarHBondContact O-N 3.27Å; V353-V355 HydrophobicContact CG1-CG2 4.49Å; V353-I361 HydrophobicContact CG1-CG2 3.61Å; V353-Y362 CarbonylContact C-O 3.56Å; V353-Y362 VanDerWaalsContact CA-O 3.29Å; V353-Y362 WeakPolarHBondContact CA-O 3.45Å; V353-L363 HydrophobicContact CG2-CD1 3.78Å; V353-V382 HydrophobicContact CG1-CG2 3.71Å; V353-V384 HydrophobicContact CB-CB 4.42Å; V353-V384 HydrophobicContact CG2-CB 3.8Å; V353-V384 HydrophobicContact CG2-CG1 4.27Å; V353-V384 HydrophobicContact CG2-CG2 3.85Å; V353-V408 HydrophobicContact CG1-CG1 4.07Å; V353-V408 HydrophobicContact CG2-CG1 4.09Å; V353-V408 HydrophobicContact CG2-CG2 3.73Å
354C98.1Very high96.4Very high3 Ų318.7 Ų18.72%0.0210%0.099CC..EExtended strand (participates in β ladder)trans-120.4132.9179.7-55.20000110.2L335 V345 Y362L335-C354 HydrophobicContact CD1-CB 3.86Å; L335-C354 VanDerWaalsContact CD1-SG 3.59Å; V345-C354 HydrophobicContact CG2-CB 4.31Å; C354-Y362 PolarHBondContact N-O 2.88Å; C354-Y362 PolarHBondContact O-N 2.85Å
355V97.8Very high96.3Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-117.6132.1-178.2-177.60000109.8S343 L344 V353 D360 I361 L379 V382S343-V355 PolarHBondContact N-O 3.04Å; S343-V355 PolarHBondContact OG-O 3.08Å; L344-V355 HydrophobicContact CB-CB 4.08Å; L344-V355 HydrophobicContact CB-CG2 4.34Å; L344-V355 PolarHBondContact N-O 2.85Å; L344-V355 PolarHBondContact O-N 3.24Å; V353-V355 HydrophobicContact CG1-CG2 4.49Å; V355-D360 CarbonylContact C-O 2.86Å; V355-D360 WeakPolarHBondContact CA-O 3.35Å; V355-I361 HydrophobicContact CG2-CG1 4.33Å; V355-I361 HydrophobicContact CG2-CG2 4.37Å; V355-L379 HydrophobicContact CG1-CB 4.34Å; V355-L379 HydrophobicContact CG1-CD1 3.57Å; V355-L379 HydrophobicContact CG2-CD1 4.48Å; V355-V382 HydrophobicContact CG2-CB 3.96Å; V355-V382 HydrophobicContact CG2-CG1 3.97Å; V355-V382 HydrophobicContact CG2-CG2 3.87Å
356T96.8Very high96Very high5 Ų520.4 Ų20.43%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-91.5159.5175.975.30000112.2I340 A341 S343 R358 G359 D360 Y362I340-T356 HydrophobicContact CG2-CG2 3.88Å; A341-T356 CarbonylContact O-C 3.03Å; A341-T356 WeakPolarHBondContact O-CA 3.42Å; A341-T356 VanDerWaalsContact O-CB 3.27Å; A341-T356 WeakPolarHBondContact O-CB 3.44Å; S343-T356 PolarHBondContact OG-O 3.18Å; T356-R358 PolarHBondContact O-N 3.12Å; T356-R358 PolarHBondContact OG1-N 3.17Å; T356-G359 PolarHBondContact O-N 3.28Å; T356-D360 HydrophobicContact CG2-CB 4.09Å; T356-D360 PolarHBondContact N-O 3.36Å; T356-D360 WeakPolarHBondContact OG1-CB 3.48Å; T356-D360 PolarHBondContact OG1-N 2.7Å; T356-D360 VanDerWaalsContact OG1-N 3.07Å; T356-Y362 HydrophobicContact CG2-CD2 4.13Å; T356-Y362 HydrophobicContact CG2-CE2 3.67Å
357T94.1Very high95.8Very high75 Ų7521.9 Ų21.946%0.4611%0.112SC..THydrogen-bonded Turntrans-61-22174.257.10000113A341 G359A341-T357 HydrophobicContact CB-CG2 4.08Å; A341-T357 WeakPolarHBondContact CB-OG1 3.38Å; A341-T357 PolarHBondContact O-N 3.41Å; T357-G359 VanDerWaalsContact C-N 3.27Å
358R93.3Very high95.6Very high118 Ų11825.7 Ų25.745%0.44513%0.126SC..THydrogen-bonded Turntrans-83.90.4173.4-59.1-164.8-57.9-148.61.6113.5D339 T356 L377D339-R358 PolarHBondContact O-NH1 3.27Å; D339-R358 PolarHBondContact O-NH2 3.17Å; D339-R358 IonicContact OD1-NH1 3.45Å; T356-R358 PolarHBondContact O-N 3.12Å; T356-R358 PolarHBondContact OG1-N 3.17Å; R358-L377 WeakPolarHBondContact O-CD2 3.28Å
359G93.7Very high95.6Very high2 Ų227.2 Ų27.22%0.02114%0.137CC..  trans79.122.7179.600000114.6T356 T357 T374 K375 Q376T356-G359 PolarHBondContact O-N 3.28Å; T357-G359 VanDerWaalsContact C-N 3.27Å; G359-T374 CarbonylContact O-C 3.52Å; G359-K375 PolarHBondContact O-N 3.48Å; G359-Q376 WeakPolarHBondContact CA-O 3.34Å; G359-Q376 PolarHBondContact O-N 3.43Å
360D95.8Very high95.7Very high16 Ų1629.4 Ų29.49%0.08614%0.144CC..  trans-82.4132.9167.7-69.4-15.1000109.1V355 T356 Y362 K371 A373 T374V355-D360 CarbonylContact C-O 2.86Å; V355-D360 WeakPolarHBondContact CA-O 3.35Å; T356-D360 HydrophobicContact CG2-CB 4.09Å; T356-D360 PolarHBondContact N-O 3.36Å; T356-D360 WeakPolarHBondContact OG1-CB 3.48Å; T356-D360 PolarHBondContact OG1-N 2.7Å; T356-D360 VanDerWaalsContact OG1-N 3.07Å; D360-Y362 HydrophobicContact CB-CD2 4.26Å; D360-Y362 HydrophobicContact CB-CE2 3.62Å; D360-K371 IonicContact OD2-NZ 2.7Å; D360-K371 PolarHBondContact OD2-NZ 3.11Å; D360-A373 WeakPolarHBondContact CA-O 3.45Å; D360-T374 WeakPolarHBondContact OD1-CA 3.24Å; D360-T374 VanDerWaalsContact OD1-CB 3.31Å; D360-T374 WeakPolarHBondContact OD1-CB 3.32Å; D360-T374 WeakPolarHBondContact OD1-CG2 3.26Å
361I96.9Very high95.7Very high0 Ų034.2 Ų34.20%016%0.164CC..EExtended strand (participates in β ladder)trans-111.1124.2177.6-50.7-177000108.3V353 V355 K371 M372 A373 Q376 L379 A410 W420V353-I361 HydrophobicContact CG1-CG2 3.61Å; V355-I361 HydrophobicContact CG2-CG1 4.33Å; V355-I361 HydrophobicContact CG2-CG2 4.37Å; I361-K371 CarbonylContact O-C 3.56Å; I361-M372 HydrophobicContact CB-CG 3.84Å; I361-M372 HydrophobicContact CB-SD 4.4Å; I361-M372 HydrophobicContact CG2-CE 4.18Å; I361-M372 HydrophobicContact CG2-CG 3.64Å; I361-M372 HydrophobicContact CG2-SD 3.58Å; I361-M372 VanDerWaalsContact CG2-SD 3.58Å; I361-M372 WeakPolarHBondContact O-CG 3.34Å; I361-M372 PolarHBondContact O-N 2.94Å; I361-A373 HydrophobicContact CB-CB 4.19Å; I361-A373 HydrophobicContact CD1-CB 4.13Å; I361-A373 HydrophobicContact CG1-CB 4.23Å; I361-A373 PolarHBondContact N-O 2.86Å; I361-A373 PolarHBondContact O-N 3.32Å; I361-Q376 HydrophobicContact CD1-CB 4.39Å; I361-Q376 HydrophobicContact CD1-CG 4.14Å; I361-L379 HydrophobicContact CD1-CD1 3.96Å; I361-L379 HydrophobicContact CG1-CD1 4.22Å; I361-A410 HydrophobicContact CD1-CB 4.24Å; I361-W420 HydrophobicContact CD1-CH2 3.53Å; I361-W420 HydrophobicContact CD1-CZ2 4.27Å; I361-W420 HydrophobicContact CD1-CZ3 3.84Å
362Y97.1Very high95.6Very high22 Ų2236.2 Ų36.29%0.08617%0.174CC..EExtended strand (participates in β ladder)trans-113140.4178.5-66.4-100.6000110.1L335 V353 C354 T356 D360 K370 K371L335-Y362 HydrophobicContact CD2-CD1 3.6Å; L335-Y362 HydrophobicContact CD2-CD2 4.09Å; L335-Y362 HydrophobicContact CD2-CE1 4.01Å; L335-Y362 HydrophobicContact CD2-CE2 4.49Å; L335-Y362 HydrophobicContact CD2-CG 3.61Å; V353-Y362 CarbonylContact C-O 3.56Å; V353-Y362 VanDerWaalsContact CA-O 3.29Å; V353-Y362 WeakPolarHBondContact CA-O 3.45Å; C354-Y362 PolarHBondContact N-O 2.88Å; C354-Y362 PolarHBondContact O-N 2.85Å; T356-Y362 HydrophobicContact CG2-CD2 4.13Å; T356-Y362 HydrophobicContact CG2-CE2 3.67Å; D360-Y362 HydrophobicContact CB-CD2 4.26Å; D360-Y362 HydrophobicContact CB-CE2 3.62Å; Y362-K370 CarbonylContact C-O 3.58Å; Y362-K370 WeakPolarHBondContact CA-O 3.41Å; Y362-K371 HydrophobicContact CD1-CB 4.05Å; Y362-K371 HydrophobicContact CE1-CB 3.98Å; Y362-K371 HydrophobicContact CE1-CG 4.34Å; Y362-K371 WeakPolarHBondContact OH-CE 3.5Å; Y362-K371 PolarHBondContact OH-NZ 3.02Å; Y362-K371 VanDerWaalsContact OH-NZ 3.13Å
363L97.4Very high95.3Very high14 Ų1436.9 Ų36.97%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-116123176.2175.565.5000109.1A351 V353 A365 C369 K370 M372 I406 L427A351-L363 HydrophobicContact CB-CD1 3.95Å; V353-L363 HydrophobicContact CG2-CD1 3.78Å; L363-A365 HydrophobicContact CD1-CB 4.39Å; L363-A365 HydrophobicContact CG-CB 4.21Å; L363-C369 WeakPolarHBondContact O-CA 3.36Å; L363-K370 PolarHBondContact N-O 3.19Å; L363-K370 PolarHBondContact O-N 2.86Å; L363-M372 HydrophobicContact CB-SD 4.22Å; L363-I406 HydrophobicContact CD1-CD1 4.49Å; L363-I406 HydrophobicContact CD1-CG2 4.34Å; L363-I406 HydrophobicContact CD2-CD1 4.13Å; L363-I406 HydrophobicContact CD2-CG2 4.48Å; L363-L427 HydrophobicContact CD2-CD2 4.36Å
364L97.5Very high95.1Very high0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-98.7108.6168.8-46.1-179.2000108.1V332 L335 A351 T352 Q368 C369V332-L364 HydrophobicContact CG1-CD1 4.16Å; V332-L364 HydrophobicContact CG1-CD2 4.36Å; V332-L364 HydrophobicContact CG2-CD1 4.28Å; L335-L364 HydrophobicContact CD1-CD1 4.35Å; L335-L364 HydrophobicContact CD1-CD2 4.28Å; A351-L364 WeakPolarHBondContact CA-O 3.47Å; T352-L364 HydrophobicContact CG2-CD1 4.18Å; T352-L364 PolarHBondContact N-O 3.44Å; T352-L364 PolarHBondContact O-N 2.97Å; L364-Q368 WeakPolarHBondContact CA-O 3.38Å; L364-C369 HydrophobicContact CD2-CB 3.55Å; L364-C369 VanDerWaalsContact CD2-SG 3.52Å
365A95.1Very high94.8Very high5 Ų548 Ų484%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-161.1156.3176.800000108.9G312 A351 L363 Y367 Q368 I406G312-A365 CarbonylContact O-C 3.58Å; G312-A365 VanDerWaalsContact O-C 3.23Å; G312-A365 VanDerWaalsContact O-CA 3.3Å; G312-A365 WeakPolarHBondContact O-CA 3.34Å; A351-A365 HydrophobicContact CB-CB 4.38Å; L363-A365 HydrophobicContact CD1-CB 4.39Å; L363-A365 HydrophobicContact CG-CB 4.21Å; A365-Y367 PolarHBondContact O-N 3.3Å; A365-Y367 VanDerWaalsContact O-N 3.16Å; A365-Q368 PolarHBondContact N-O 3.31Å; A365-Q368 VanDerWaalsContact N-O 3.12Å; A365-Q368 PolarHBondContact O-N 3.44Å; A365-Q368 VanDerWaalsContact O-O 3.1Å; A365-I406 HydrophobicContact CB-CD1 3.91Å
366D91.9Very high94.5Very high81 Ų8149.8 Ų49.843%0.43324%0.241SC..THydrogen-bonded Turntrans52.237.7177.3-49.1-45.3000113.3G312 Q368G312-D366 PolarHBondContact O-N 3.47Å; D366-Q368 PolarHBondContact O-N 2.75Å; D366-Q368 VanDerWaalsContact O-N 3.15Å
367Y93.9Very high94.3Very high41 Ų4154.1 Ų54.116%0.16126%0.264CS..THydrogen-bonded Turntrans60.318.8-175.8-53-84.1000114.7G312 H316 L318 A365 E390 V393G312-Y367 PolarHBondContact O-N 2.72Å; H316-Y367 WeakPolarHBondContact O-CD1 3.5Å; L318-Y367 HydrophobicContact CD2-CE1 3.64Å; L318-Y367 WeakPolarHBondContact CD2-OH 3.36Å; L318-Y367 HydrophobicContact CG-CD1 4.15Å; L318-Y367 HydrophobicContact CG-CE1 3.64Å; L318-Y367 HydrophobicContact CG-CE2 4.42Å; A365-Y367 PolarHBondContact O-N 3.3Å; A365-Y367 VanDerWaalsContact O-N 3.16Å; Y367-E390 HydrophobicContact CE2-CB 4.02Å; Y367-E390 WeakPolarHBondContact CE2-OE2 3.3Å; Y367-E390 WeakPolarHBondContact OH-CB 3.21Å; Y367-E390 PolarHBondContact OH-OE2 3.36Å; Y367-V393 WeakPolarHBondContact OH-CG2 3.41Å
368Q93.4Very high94.2Very high99 Ų9956.7 Ų56.746%0.46328%0.275SS..EExtended strand (participates in β ladder)trans-122145.7-177.7-68.1-179.6-12.300111L364 A365 D366 K370L364-Q368 WeakPolarHBondContact CA-O 3.38Å; A365-Q368 PolarHBondContact N-O 3.31Å; A365-Q368 VanDerWaalsContact N-O 3.12Å; A365-Q368 PolarHBondContact O-N 3.44Å; A365-Q368 VanDerWaalsContact O-O 3.1Å; D366-Q368 PolarHBondContact O-N 2.75Å; D366-Q368 VanDerWaalsContact O-N 3.15Å; Q368-K370 HydrophobicContact CB-CG 4.36Å
369C95.3Very high94.4Very high41 Ų4152 Ų5228%0.27726%0.259SS..EExtended strand (participates in β ladder)trans-106.9101.7169175.60000108.9A334 L363 L364A334-C369 HydrophobicContact CB-CB 3.52Å; L363-C369 WeakPolarHBondContact O-CA 3.36Å; L364-C369 HydrophobicContact CD2-CB 3.55Å; L364-C369 VanDerWaalsContact CD2-SG 3.52Å
370K94.4Very high94.4Very high94 Ų9458.9 Ų58.941%0.40929%0.288SS..EExtended strand (participates in β ladder)trans-105127-177.4-68178.2-178.3159.30110.9Y362 L363 Q368 M372Y362-K370 CarbonylContact C-O 3.58Å; Y362-K370 WeakPolarHBondContact CA-O 3.41Å; L363-K370 PolarHBondContact N-O 3.19Å; L363-K370 PolarHBondContact O-N 2.86Å; Q368-K370 HydrophobicContact CB-CG 4.36Å; K370-M372 PolarHBondContact O-N 3.38Å
371K94.2Very high94.5Very high103 Ų10360.4 Ų60.445%0.44829%0.294SS..EExtended strand (participates in β ladder)trans-75.5111166.2-175.6179-68.7-155.90108.8D360 I361 Y362 T374D360-K371 IonicContact OD2-NZ 2.7Å; D360-K371 PolarHBondContact OD2-NZ 3.11Å; I361-K371 CarbonylContact O-C 3.56Å; Y362-K371 HydrophobicContact CD1-CB 4.05Å; Y362-K371 HydrophobicContact CE1-CB 3.98Å; Y362-K371 HydrophobicContact CE1-CG 4.34Å; Y362-K371 WeakPolarHBondContact OH-CE 3.5Å; Y362-K371 PolarHBondContact OH-NZ 3.02Å; Y362-K371 VanDerWaalsContact OH-NZ 3.13Å; K371-T374 HydrophobicContact CD-CG2 3.64Å; K371-T374 HydrophobicContact CG-CG2 4.1Å
372M93.3Very high94.5Very high42 Ų4260.9 Ų60.921%0.20730%0.297CS..EExtended strand (participates in β ladder)trans-97.3-27.7-172.758171.7-80.600114.1I361 L363 K370 V408 W420 L427I361-M372 HydrophobicContact CB-CG 3.84Å; I361-M372 HydrophobicContact CB-SD 4.4Å; I361-M372 HydrophobicContact CG2-CE 4.18Å; I361-M372 HydrophobicContact CG2-CG 3.64Å; I361-M372 HydrophobicContact CG2-SD 3.58Å; I361-M372 VanDerWaalsContact CG2-SD 3.58Å; I361-M372 WeakPolarHBondContact O-CG 3.34Å; I361-M372 PolarHBondContact O-N 2.94Å; L363-M372 HydrophobicContact CB-SD 4.22Å; K370-M372 PolarHBondContact O-N 3.38Å; M372-V408 HydrophobicContact CE-CB 4.05Å; M372-V408 HydrophobicContact CE-CG1 4.08Å; M372-V408 HydrophobicContact CE-CG2 4.24Å; M372-V408 HydrophobicContact SD-CB 4.48Å; M372-V408 HydrophobicContact SD-CG1 4.34Å; M372-V408 HydrophobicContact SD-CG2 4.12Å; M372-W420 HydrophobicContact CE-CB 3.65Å; M372-W420 HydrophobicContact CE-CD2 3.27Å; M372-W420 HydrophobicContact CE-CE3 3.56Å; M372-W420 HydrophobicContact CE-CG 3.31Å; M372-W420 HydrophobicContact CE-CZ3 4.31Å; M372-L427 HydrophobicContact CB-CD2 4.21Å; M372-L427 HydrophobicContact CE-CD2 3.37Å; M372-L427 HydrophobicContact SD-CD2 3.58Å; M372-L427 VanDerWaalsContact SD-CD2 3.58Å
373A93.2Very high94.5Very high13 Ų1361.7 Ų61.711%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-150.5156.3177.700000110.2D360 I361 Q376 W420D360-A373 WeakPolarHBondContact CA-O 3.45Å; I361-A373 HydrophobicContact CB-CB 4.19Å; I361-A373 HydrophobicContact CD1-CB 4.13Å; I361-A373 HydrophobicContact CG1-CB 4.23Å; I361-A373 PolarHBondContact N-O 2.86Å; I361-A373 PolarHBondContact O-N 3.32Å; A373-Q376 HydrophobicContact CB-CG 4.18Å; A373-W420 HydrophobicContact CB-CH2 4.33Å; A373-W420 HydrophobicContact CB-CZ2 3.62Å
374T94.1Very high94.4Very high66 Ų6661.7 Ų61.741%0.40530%0.303SS..  trans-134.1161.9177.462.50000110.6G359 D360 K371 Q376G359-T374 CarbonylContact O-C 3.52Å; D360-T374 WeakPolarHBondContact OD1-CA 3.24Å; D360-T374 VanDerWaalsContact OD1-CB 3.31Å; D360-T374 WeakPolarHBondContact OD1-CB 3.32Å; D360-T374 WeakPolarHBondContact OD1-CG2 3.26Å; K371-T374 HydrophobicContact CD-CG2 3.64Å; K371-T374 HydrophobicContact CG-CG2 4.1Å; T374-Q376 PolarHBondContact O-N 3.02Å; T374-Q376 VanDerWaalsContact O-N 3.12Å; T374-Q376 PolarHBondContact O-NE2 3.38Å
375K90.6Very high94.2Very high171 Ų17162.3 Ų62.374%0.74331%0.307SS*.  trans56.728174.6-55.5-179.1178.2-178.70114G359 L377G359-K375 PolarHBondContact O-N 3.48Å; K375-L377 PolarHBondContact O-N 3.09Å
376Q92.7Very high94Very high37 Ų3762.4 Ų62.417%0.17331%0.309CS..  trans-84.980.1170.3-56.3-51.3-52.500108.8G359 I361 A373 T374 L379 F418 W420G359-Q376 WeakPolarHBondContact CA-O 3.34Å; G359-Q376 PolarHBondContact O-N 3.43Å; I361-Q376 HydrophobicContact CD1-CB 4.39Å; I361-Q376 HydrophobicContact CD1-CG 4.14Å; A373-Q376 HydrophobicContact CB-CG 4.18Å; T374-Q376 PolarHBondContact O-N 3.02Å; T374-Q376 VanDerWaalsContact O-N 3.12Å; T374-Q376 PolarHBondContact O-NE2 3.38Å; Q376-L379 HydrophobicContact CB-CD1 3.79Å; Q376-L379 HydrophobicContact CB-CD2 4.43Å; Q376-L379 HydrophobicContact CB-CG 4.18Å; Q376-L379 WeakPolarHBondContact O-CG 3.21Å; Q376-F418 VanDerWaalsContact OE1-CZ 3.29Å; Q376-W420 HydrophobicContact CG-CH2 4.38Å
377L92.1Very high94Very high97 Ų9758.9 Ų58.951%0.50829%0.292SS..THydrogen-bonded Turntrans-74.5156.3-172.7-57.9178.8000112.1R358 K375 L379R358-L377 WeakPolarHBondContact O-CD2 3.28Å; K375-L377 PolarHBondContact O-N 3.09Å; L377-L379 VanDerWaalsContact C-N 3.25Å; L377-L379 PolarHBondContact O-N 3.13Å
378N93.4Very high93.9Very high128 Ų12859.5 Ų59.568%0.68430%0.302SS*.THydrogen-bonded Turntrans57.631.9173.2-58.9-25.5000114.8K380 D412 G413N378-K380 PolarHBondContact O-N 3.27Å; N378-D412 CarbonylContact O-C 3.54Å; N378-D412 VanDerWaalsContact O-CA 3.31Å; N378-D412 WeakPolarHBondContact O-CA 3.44Å; N378-D412 WeakPolarHBondContact O-CB 3.23Å; N378-G413 PolarHBondContact O-N 3.24Å
379L95.9Very high93.8Very high21 Ų2155.9 Ų55.911%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-62.3133.8172.5-68.8177.2000110.9L344 V355 I361 Q376 L377 A410 D412 F418L344-L379 HydrophobicContact CD1-CB 4.13Å; V355-L379 HydrophobicContact CG1-CB 4.34Å; V355-L379 HydrophobicContact CG1-CD1 3.57Å; V355-L379 HydrophobicContact CG2-CD1 4.48Å; I361-L379 HydrophobicContact CD1-CD1 3.96Å; I361-L379 HydrophobicContact CG1-CD1 4.22Å; Q376-L379 HydrophobicContact CB-CD1 3.79Å; Q376-L379 HydrophobicContact CB-CD2 4.43Å; Q376-L379 HydrophobicContact CB-CG 4.18Å; Q376-L379 WeakPolarHBondContact O-CG 3.21Å; L377-L379 VanDerWaalsContact C-N 3.25Å; L377-L379 PolarHBondContact O-N 3.13Å; L379-A410 HydrophobicContact CD1-CB 4.13Å; L379-A410 HydrophobicContact CD2-CB 3.77Å; L379-D412 HydrophobicContact CD2-CB 4.2Å; L379-F418 HydrophobicContact CD2-CD2 4.27Å; L379-F418 HydrophobicContact CD2-CE2 4.41Å
380K95.1Very high93.6Very high145 Ų14557.3 Ų57.363%0.6329%0.287SS*.EExtended strand (participates in β ladder)trans-112.6-29.9-179.1-66.8-62.9-174.7176.10112.9N378 M411N378-K380 PolarHBondContact O-N 3.27Å; K380-M411 PolarHBondContact N-O 3.13Å
381K96.1Very high93.4Very high49 Ų4956.7 Ų56.721%0.21328%0.283CS..EExtended strand (participates in β ladder)trans-142139.4178.8-161.2168.7-171.2-1780110.2L383 A410 M411 D442 I443K381-L383 HydrophobicContact CG-CG 4.49Å; K381-A410 CarbonylContact O-C 3.53Å; K381-A410 WeakPolarHBondContact O-CA 3.43Å; K381-M411 HydrophobicContact CB-CB 4.44Å; K381-M411 HydrophobicContact CB-CE 4.22Å; K381-M411 PolarHBondContact N-O 3.08Å; K381-M411 PolarHBondContact O-N 3.4Å; K381-D442 WeakPolarHBondContact CD-OD1 3.4Å; K381-D442 WeakPolarHBondContact CE-OD1 3.26Å; K381-D442 IonicContact NZ-OD1 2.77Å; K381-D442 PolarHBondContact NZ-OD1 3.25Å; K381-D442 IonicContact NZ-OD2 2.67Å; K381-D442 PolarHBondContact NZ-OD2 2.94Å; K381-I443 HydrophobicContact CB-CG1 4.43Å; K381-I443 HydrophobicContact CD-CG1 3.84Å; K381-I443 WeakPolarHBondContact CE-O 3.41Å; K381-I443 HydrophobicContact CG-CG1 4.25Å; K381-I443 PolarHBondContact NZ-O 3.41Å
382V97.4Very high93.2Very high10 Ų1058.1 Ų58.16%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-131.9138.5170.969.40000108.6L344 A346 V353 V355 V408 L409 A410L344-V382 HydrophobicContact CB-CG1 3.66Å; A346-V382 HydrophobicContact CB-CG1 3.98Å; A346-V382 WeakPolarHBondContact CB-O 3.49Å; V353-V382 HydrophobicContact CG1-CG2 3.71Å; V355-V382 HydrophobicContact CG2-CB 3.96Å; V355-V382 HydrophobicContact CG2-CG1 3.97Å; V355-V382 HydrophobicContact CG2-CG2 3.87Å; V382-V408 HydrophobicContact CG2-CG1 4.29Å; V382-L409 CarbonylContact C-O 3.57Å; V382-L409 VanDerWaalsContact CA-O 3.3Å; V382-L409 WeakPolarHBondContact CA-O 3.49Å; V382-L409 WeakPolarHBondContact CG2-O 3.31Å; V382-A410 HydrophobicContact CG2-CB 4.48Å
383L96.9Very high93.1Very high38 Ų3856.5 Ų56.520%0.19928%0.282CS..EExtended strand (participates in β ladder)trans-134.9147.2179.2-60.6174.1000109K381 V408 L409 I443 L445K381-L383 HydrophobicContact CG-CG 4.49Å; L383-V408 WeakPolarHBondContact O-CA 3.41Å; L383-L409 HydrophobicContact CB-CB 4.43Å; L383-L409 PolarHBondContact N-O 3.02Å; L383-L409 PolarHBondContact O-N 3.43Å; L383-I443 HydrophobicContact CD1-CB 4.43Å; L383-I443 HydrophobicContact CD1-CD1 4.01Å; L383-I443 HydrophobicContact CD1-CG1 3.87Å; L383-I443 HydrophobicContact CG-CD1 4.39Å; L383-L445 HydrophobicContact CB-CB 4.04Å; L383-L445 HydrophobicContact CB-CD2 4.07Å; L383-L445 HydrophobicContact CD1-CB 3.91Å
384V95.9Very high93Very high14 Ų1457 Ų579%0.08528%0.283CS..EExtended strand (participates in β ladder)trans-135.5141.4174.360.50000110.2A346 A347 A351 V353 I406 C407 V408A346-V384 HydrophobicContact CB-CG1 3.89Å; A346-V384 WeakPolarHBondContact O-CG1 3.46Å; A347-V384 VanDerWaalsContact C-CG1 3.49Å; A351-V384 HydrophobicContact CB-CG2 3.98Å; V353-V384 HydrophobicContact CB-CB 4.42Å; V353-V384 HydrophobicContact CG2-CB 3.8Å; V353-V384 HydrophobicContact CG2-CG1 4.27Å; V353-V384 HydrophobicContact CG2-CG2 3.85Å; V384-I406 HydrophobicContact CG2-CG2 4.27Å; V384-C407 CarbonylContact C-O 3.58Å; V384-C407 VanDerWaalsContact CA-O 3.24Å; V384-C407 WeakPolarHBondContact CA-O 3.45Å; V384-V408 HydrophobicContact CG2-CG2 4.2Å
385S93.7Very high92.8Very high13 Ų1357.9 Ų57.99%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-134.9158.4169.471.60000111I406 C407 N446S385-I406 CarbonylContact O-C 3.55Å; S385-I406 WeakPolarHBondContact O-CA 3.4Å; S385-C407 PolarHBondContact N-O 2.75Å; S385-C407 PolarHBondContact O-N 2.96Å; S385-N446 PolarHBondContact OG-O 2.96Å
386G91.4Very high92.8Very high8 Ų857.7 Ų57.78%0.08229%0.291CS..EExtended strand (participates in β ladder)trans77.7-149.8-178.600000113.9S348 G350S348-G386 WeakPolarHBondContact CB-O 3.46Å; S348-G386 PolarHBondContact OG-O 3.15Å; G350-G386 PolarHBondContact N-O 3.24Å
387G90.9Very high92.7Very high7 Ų759.1 Ų59.17%0.07230%0.298CS..EExtended strand (participates in β ladder)trans109.7159.1-17000000112.3G403 Q404 I406G387-G403 WeakPolarHBondContact O-CA 3.47Å; G387-Q404 CarbonylContact C-O 3.49Å; G387-Q404 PolarHBondContact N-O 3.05Å; G387-Q404 PolarHBondContact O-N 2.98Å; G387-I406 VanDerWaalsContact CA-CG1 3.48Å
388C91.2Very high92.6Very high54 Ų5455.3 Ų55.337%0.36528%0.278SS..  trans-113.9135.4172.4-164.20000108
389M92.1Very high92.3Very high22 Ų2254.2 Ų54.211%0.10828%0.276CS..  trans-109.6143.6169.6-67.1-173.57100108.7F294 L309 G311 Y391 L398F294-M389 HydrophobicContact CB-CE 4.27Å; F294-M389 HydrophobicContact CD2-CE 4.04Å; F294-M389 HydrophobicContact CD2-SD 3.34Å; F294-M389 WeakPolarHBondContact CD2-SD 3.44Å; F294-M389 HydrophobicContact CE2-SD 3.67Å; F294-M389 HydrophobicContact CG-CE 4.26Å; F294-M389 HydrophobicContact CG-SD 4.15Å; L309-M389 HydrophobicContact CB-CE 4.42Å; L309-M389 HydrophobicContact CD2-CE 3.77Å; L309-M389 HydrophobicContact CG-CE 4.08Å; G311-M389 WeakPolarHBondContact O-CA 3.17Å; M389-Y391 PolarHBondContact O-N 2.83Å; M389-L398 HydrophobicContact CB-CD1 4.04Å; M389-L398 HydrophobicContact CB-CD2 4.16Å; M389-L398 HydrophobicContact CE-CD1 4.5Å; M389-L398 HydrophobicContact CE-CD2 4.46Å; M389-L398 HydrophobicContact SD-CD2 4.01Å
390E91.2Very high91.7Very high71 Ų7159.4 Ų59.433%0.33230%0.3SS..  trans-66.6108.2176.9-178162.7-139.300111.3G311 Y367 K392 V393 L398G311-E390 PolarHBondContact O-N 3.38Å; G311-E390 VanDerWaalsContact O-N 3.09Å; Y367-E390 HydrophobicContact CE2-CB 4.02Å; Y367-E390 WeakPolarHBondContact CE2-OE2 3.3Å; Y367-E390 WeakPolarHBondContact OH-CB 3.21Å; Y367-E390 PolarHBondContact OH-OE2 3.36Å; E390-K392 HydrophobicContact CG-CB 4.32Å; E390-K392 PolarHBondContact O-N 3Å; E390-K392 VanDerWaalsContact O-N 3.14Å; E390-V393 HydrophobicContact CB-CG2 3.96Å; E390-V393 HydrophobicContact CG-CG2 4.1Å; E390-V393 WeakPolarHBondContact O-CB 3.46Å; E390-V393 WeakPolarHBondContact O-CG2 3.29Å; E390-V393 PolarHBondContact O-N 3.16Å; E390-V393 VanDerWaalsContact O-N 3.08Å; E390-L398 WeakPolarHBondContact O-CD1 3.37Å
391Y89.9Confident90.8Very high82 Ų8259.5 Ų59.532%0.32231%0.307SS..G310 helixtrans-58.4-32.6-173.288.8-89.4000113.1M389 V393 D394 E400M389-Y391 PolarHBondContact O-N 2.83Å; Y391-V393 PolarHBondContact O-N 2.82Å; Y391-D394 CarbonylContact O-C 3.52Å; Y391-D394 VanDerWaalsContact O-C 3.28Å; Y391-D394 PolarHBondContact O-N 2.87Å; Y391-D394 VanDerWaalsContact O-N 3.1Å; Y391-E400 HydrophobicContact CD1-CB 4.48Å; Y391-E400 HydrophobicContact CD1-CG 4.15Å; Y391-E400 HydrophobicContact CD2-CB 4.41Å; Y391-E400 HydrophobicContact CE1-CG 4.2Å; Y391-E400 HydrophobicContact CG-CB 4.28Å; Y391-E400 HydrophobicContact CG-CG 4.44Å
392K90Very high89.8Confident133 Ų13359 Ų5958%0.57832%0.315SS*.G310 helixtrans-63.3-22.3-178.5-64.6-178.3-179.3175.90113E390 D394E390-K392 HydrophobicContact CG-CB 4.32Å; E390-K392 PolarHBondContact O-N 3Å; E390-K392 VanDerWaalsContact O-N 3.14Å; K392-D394 VanDerWaalsContact C-N 3.33Å
393V90.9Very high89.1Confident8 Ų860.3 Ų60.35%0.04833%0.331CS..G310 helixtrans-66.1-39.9176.8-177.70000109.8L309 K324 Y367 E390 Y391L309-V393 HydrophobicContact CD1-CG1 3.65Å; L309-V393 HydrophobicContact CG-CG1 4.27Å; K324-V393 HydrophobicContact CB-CG1 3.74Å; K324-V393 HydrophobicContact CD-CG1 4.17Å; K324-V393 WeakPolarHBondContact CD-O 3.07Å; K324-V393 WeakPolarHBondContact CE-O 3.33Å; K324-V393 HydrophobicContact CG-CG1 3.82Å; K324-V393 PolarHBondContact NZ-O 2.8Å; Y367-V393 WeakPolarHBondContact OH-CG2 3.41Å; E390-V393 HydrophobicContact CB-CG2 3.96Å; E390-V393 HydrophobicContact CG-CG2 4.1Å; E390-V393 WeakPolarHBondContact O-CB 3.46Å; E390-V393 WeakPolarHBondContact O-CG2 3.29Å; E390-V393 PolarHBondContact O-N 3.16Å; E390-V393 VanDerWaalsContact O-N 3.08Å; Y391-V393 PolarHBondContact O-N 2.82Å
394D91.1Very high88.6Confident23 Ų2362 Ų6212%0.12334%0.338CS..  trans-150.880.8179.5-177.833.4000112.4F258 L309 Y391 K392 E396 H397 L398F258-D394 VanDerWaalsContact CE1-OD2 3.27Å; F258-D394 WeakPolarHBondContact CE1-OD2 3.22Å; L309-D394 HydrophobicContact CD2-CB 4.12Å; Y391-D394 CarbonylContact O-C 3.52Å; Y391-D394 VanDerWaalsContact O-C 3.28Å; Y391-D394 PolarHBondContact O-N 2.87Å; Y391-D394 VanDerWaalsContact O-N 3.1Å; K392-D394 VanDerWaalsContact C-N 3.33Å; D394-E396 PolarHBondContact O-N 3.12Å; D394-E396 VanDerWaalsContact O-N 3.13Å; D394-H397 PolarHBondContact O-N 3.34Å; D394-H397 IonicContact OD1-ND1 3.52Å; D394-H397 PolarHBondContact OD1-ND1 2.68Å; D394-H397 WeakPolarHBondContact OD2-CB 3.36Å; D394-H397 IonicContact OD2-CE1 3.13Å; D394-H397 IonicContact OD2-CG 2.7Å; D394-H397 VanDerWaalsContact OD2-CG 3.27Å; D394-H397 IonicContact OD2-ND1 3.16Å; D394-H397 PolarHBondContact OD2-ND1 2.95Å; D394-L398 HydrophobicContact CB-CD1 4.18Å; D394-L398 HydrophobicContact CB-CG 4.25Å; D394-L398 VanDerWaalsContact O-CB 3.26Å; D394-L398 WeakPolarHBondContact O-CB 3.21Å; D394-L398 WeakPolarHBondContact O-CG 3.21Å; D394-L398 PolarHBondContact O-N 3.2Å
395P91Very high88.2Confident84 Ų8465.8 Ų65.855%0.54535%0.353SS..THydrogen-bonded Turntrans-63.5-17.8-175.5-23.334.7000114.8
396E90.9Very high88.1Confident168 Ų16865.8 Ų65.879%0.78535%0.352SS*.THydrogen-bonded Turntrans-75.1-34.8179.7-66-175.9177.700112.2D394D394-E396 PolarHBondContact O-N 3.12Å; D394-E396 VanDerWaalsContact O-N 3.13Å
397H90.1Very high88.2Confident66 Ų6665.6 Ų65.631%0.30635%0.349SS..THydrogen-bonded Turntrans-115-12.8-176-49.784.3000114.1M257 F258 F294 D394M257-H397 VanDerWaalsContact CE-NE2 3.33Å; M257-H397 WeakPolarHBondContact CE-NE2 3.39Å; F258-H397 HydrophobicContact CZ-CB 4.12Å; F258-H397 AromaticContact CZ-CG 3.82Å; F258-H397 AromaticContact CZ-ND1 3.88Å; F294-H397 HydrophobicContact CE1-CB 4.47Å; D394-H397 PolarHBondContact O-N 3.34Å; D394-H397 IonicContact OD1-ND1 3.52Å; D394-H397 PolarHBondContact OD1-ND1 2.68Å; D394-H397 WeakPolarHBondContact OD2-CB 3.36Å; D394-H397 IonicContact OD2-CE1 3.13Å; D394-H397 IonicContact OD2-CG 2.7Å; D394-H397 VanDerWaalsContact OD2-CG 3.27Å; D394-H397 IonicContact OD2-ND1 3.16Å; D394-H397 PolarHBondContact OD2-ND1 2.95Å
398L89.9Confident88.4Confident18 Ų1865.2 Ų65.29%0.09435%0.346CS..SBendtrans-106.8133.1176.2-57179.6000110.5F294 L309 M389 E390 D394F294-L398 HydrophobicContact CE1-CD2 4.4Å; F294-L398 HydrophobicContact CE2-CD2 3.94Å; F294-L398 HydrophobicContact CZ-CD2 3.73Å; L309-L398 HydrophobicContact CD2-CD1 4.32Å; M389-L398 HydrophobicContact CB-CD1 4.04Å; M389-L398 HydrophobicContact CB-CD2 4.16Å; M389-L398 HydrophobicContact CE-CD1 4.5Å; M389-L398 HydrophobicContact CE-CD2 4.46Å; M389-L398 HydrophobicContact SD-CD2 4.01Å; E390-L398 WeakPolarHBondContact O-CD1 3.37Å; D394-L398 HydrophobicContact CB-CD1 4.18Å; D394-L398 HydrophobicContact CB-CG 4.25Å; D394-L398 VanDerWaalsContact O-CB 3.26Å; D394-L398 WeakPolarHBondContact O-CB 3.21Å; D394-L398 WeakPolarHBondContact O-CG 3.21Å; D394-L398 PolarHBondContact O-N 3.2Å
399T85.9Confident88.5Confident104 Ų10462.7 Ų62.764%0.63833%0.328SS*.  trans-91.7136.6176.251.70000110.6N401 G402T399-N401 PolarHBondContact O-N 3.04Å; T399-G402 WeakPolarHBondContact O-CA 3.25Å; T399-G402 PolarHBondContact O-N 3.35Å; T399-G402 WeakPolarHBondContact OG1-CA 3.48Å
400E83.6Confident88.7Confident131 Ų13161.6 Ų61.661%0.61232%0.323SS*.THydrogen-bonded Turntrans-56.9130.5171.1-171.5177.8-155.400109.5Y391 G402Y391-E400 HydrophobicContact CD1-CB 4.48Å; Y391-E400 HydrophobicContact CD1-CG 4.15Å; Y391-E400 HydrophobicContact CD2-CB 4.41Å; Y391-E400 HydrophobicContact CE1-CG 4.2Å; Y391-E400 HydrophobicContact CG-CB 4.28Å; Y391-E400 HydrophobicContact CG-CG 4.44Å; E400-G402 PolarHBondContact O-N 3.36Å; E400-G402 VanDerWaalsContact O-N 3.1Å
401N77Confident88.9Confident147 Ų14758.8 Ų58.879%0.78631%0.31SS*.THydrogen-bonded Turntrans55.522.2-172.5-58-49.6000114.8T399 G403T399-N401 PolarHBondContact O-N 3.04Å; N401-G403 PolarHBondContact O-N 3.5Å
402G75.5Confident89.1Confident38 Ų3855 Ų5539%0.39230%0.295SS..  trans-72.8-2.417800000115.9T399 E400T399-G402 WeakPolarHBondContact O-CA 3.25Å; T399-G402 PolarHBondContact O-N 3.35Å; T399-G402 WeakPolarHBondContact OG1-CA 3.48Å; E400-G402 PolarHBondContact O-N 3.36Å; E400-G402 VanDerWaalsContact O-N 3.1Å
403G81.1Confident89.2Confident37 Ų3751.1 Ų51.138%0.38129%0.293SS..  trans-62.1146.8-178.500000112.7G387 N401G387-G403 WeakPolarHBondContact O-CA 3.47Å; N401-G403 PolarHBondContact O-N 3.5Å
404Q86.7Confident89.2Confident73 Ų7353.7 Ų53.734%0.34132%0.315SS..EExtended strand (participates in β ladder)trans-109.8152.4174.4-66.8-176.5-1.700110.2G387 I406G387-Q404 CarbonylContact C-O 3.49Å; G387-Q404 PolarHBondContact N-O 3.05Å; G387-Q404 PolarHBondContact O-N 2.98Å; Q404-I406 PolarHBondContact O-N 2.98Å
405K88.5Confident89.2Confident94 Ų9452.8 Ų52.841%0.40931%0.311SS..EExtended strand (participates in β ladder)trans-55.7127.7174-71.1177.8178.2167.10109.4C407 S422 E466K405-C407 PolarHBondContact O-N 3.19Å; K405-S422 VanDerWaalsContact CA-OG 3.24Å; K405-S422 WeakPolarHBondContact CA-OG 3.31Å; K405-S422 WeakPolarHBondContact CB-OG 3.46Å; K405-E466 IonicContact NZ-OE1 2.77Å; K405-E466 PolarHBondContact NZ-OE1 3.37Å
406I91.9Very high89.1Confident13 Ų1355.4 Ų55.47%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-67.7130.3174.8-65.5173.2000107.9A351 L363 A365 V384 S385 G387 Q404 V408 R421 S422 L427A351-I406 HydrophobicContact CB-CD1 4.24Å; A351-I406 HydrophobicContact CB-CG1 4.45Å; L363-I406 HydrophobicContact CD1-CD1 4.49Å; L363-I406 HydrophobicContact CD1-CG2 4.34Å; L363-I406 HydrophobicContact CD2-CD1 4.13Å; L363-I406 HydrophobicContact CD2-CG2 4.48Å; A365-I406 HydrophobicContact CB-CD1 3.91Å; V384-I406 HydrophobicContact CG2-CG2 4.27Å; S385-I406 CarbonylContact O-C 3.55Å; S385-I406 WeakPolarHBondContact O-CA 3.4Å; G387-I406 VanDerWaalsContact CA-CG1 3.48Å; Q404-I406 PolarHBondContact O-N 2.98Å; I406-V408 HydrophobicContact CG2-CG2 3.96Å; I406-R421 CarbonylContact O-C 3.53Å; I406-R421 VanDerWaalsContact O-CA 3.26Å; I406-R421 WeakPolarHBondContact O-CA 3.32Å; I406-S422 PolarHBondContact N-OG 3.3Å; I406-S422 PolarHBondContact O-N 3.46Å; I406-L427 HydrophobicContact CB-CD1 4.05Å; I406-L427 HydrophobicContact CG2-CD1 3.86Å
407C92.9Very high89.1Confident4 Ų447.9 Ų47.93%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-123.1129.4167.71770000108.7V384 S385 K405 W420 L445 W464V384-C407 CarbonylContact C-O 3.58Å; V384-C407 VanDerWaalsContact CA-O 3.24Å; V384-C407 WeakPolarHBondContact CA-O 3.45Å; S385-C407 PolarHBondContact N-O 2.75Å; S385-C407 PolarHBondContact O-N 2.96Å; K405-C407 PolarHBondContact O-N 3.19Å; C407-W420 CarbonylContact C-O 3.59Å; C407-W420 WeakPolarHBondContact CA-O 3.48Å; C407-L445 HydrophobicContact CB-CD2 4.43Å; C407-W464 HydrophobicContact CB-CZ2 4.22Å; C407-W464 WeakPolarHBondContact SG-CZ2 3.48Å
408V94.5Very high89.2Confident0 Ų046.4 Ų46.40%027%0.268CS..EExtended strand (participates in β ladder)trans-119.1128.7174.5-175.70000108.3V353 M372 V382 L383 V384 I406 C419 W420 L427V353-V408 HydrophobicContact CG1-CG1 4.07Å; V353-V408 HydrophobicContact CG2-CG1 4.09Å; V353-V408 HydrophobicContact CG2-CG2 3.73Å; M372-V408 HydrophobicContact CE-CB 4.05Å; M372-V408 HydrophobicContact CE-CG1 4.08Å; M372-V408 HydrophobicContact CE-CG2 4.24Å; M372-V408 HydrophobicContact SD-CB 4.48Å; M372-V408 HydrophobicContact SD-CG1 4.34Å; M372-V408 HydrophobicContact SD-CG2 4.12Å; V382-V408 HydrophobicContact CG2-CG1 4.29Å; L383-V408 WeakPolarHBondContact O-CA 3.41Å; V384-V408 HydrophobicContact CG2-CG2 4.2Å; I406-V408 HydrophobicContact CG2-CG2 3.96Å; V408-C419 WeakPolarHBondContact O-CA 3.36Å; V408-W420 HydrophobicContact CB-CB 4.45Å; V408-W420 HydrophobicContact CB-CE3 4.31Å; V408-W420 HydrophobicContact CG1-CE3 4.24Å; V408-W420 PolarHBondContact N-O 3.41Å; V408-W420 PolarHBondContact O-N 3.46Å; V408-L427 HydrophobicContact CG2-CD2 4.34Å
409L94.9Very high89.3Confident0 Ų045.6 Ų45.60%026%0.264CS..EExtended strand (participates in β ladder)trans-116.6138.7170.4-62.2176.5000109.5V382 L383 F418 C419 I443 L445 I450 M478V382-L409 CarbonylContact C-O 3.57Å; V382-L409 VanDerWaalsContact CA-O 3.3Å; V382-L409 WeakPolarHBondContact CA-O 3.49Å; V382-L409 WeakPolarHBondContact CG2-O 3.31Å; L383-L409 HydrophobicContact CB-CB 4.43Å; L383-L409 PolarHBondContact N-O 3.02Å; L383-L409 PolarHBondContact O-N 3.43Å; L409-F418 WeakPolarHBondContact CA-O 3.21Å; L409-C419 HydrophobicContact CD2-CB 3.53Å; L409-C419 VanDerWaalsContact CD2-SG 3.53Å; L409-I443 HydrophobicContact CB-CD1 3.83Å; L409-L445 HydrophobicContact CD1-CB 4.02Å; L409-L445 HydrophobicContact CD1-CD1 4.06Å; L409-L445 HydrophobicContact CD1-CD2 4.29Å; L409-L445 HydrophobicContact CD1-CG 4.35Å; L409-L445 HydrophobicContact CG-CD2 4.33Å; L409-I450 HydrophobicContact CD1-CB 4.37Å; L409-I450 HydrophobicContact CD1-CD1 4.13Å; L409-I450 HydrophobicContact CD1-CG1 4.22Å; L409-I450 HydrophobicContact CD1-CG2 3.26Å; L409-I450 HydrophobicContact CD2-CD1 4.18Å; L409-M478 HydrophobicContact CD2-CE 4.19Å
410A95.6Very high89.5Confident0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-134.4134.917200000109.3I361 L379 K381 V382 V417 F418 W420I361-A410 HydrophobicContact CD1-CB 4.24Å; L379-A410 HydrophobicContact CD1-CB 4.13Å; L379-A410 HydrophobicContact CD2-CB 3.77Å; K381-A410 CarbonylContact O-C 3.53Å; K381-A410 WeakPolarHBondContact O-CA 3.43Å; V382-A410 HydrophobicContact CG2-CB 4.48Å; A410-V417 CarbonylContact O-C 3.56Å; A410-V417 WeakPolarHBondContact O-CA 3.48Å; A410-F418 PolarHBondContact N-O 3.3Å; A410-F418 PolarHBondContact O-N 3.41Å; A410-W420 HydrophobicContact CB-CH2 4.43Å; A410-W420 HydrophobicContact CB-CZ3 3.91Å
411M95.3Very high89.8Confident11 Ų1136.7 Ų36.75%0.05421%0.213CC..EExtended strand (participates in β ladder)trans-119.5135.4177.9-177.4-178.973.800109.6K380 K381 R416 V417 I440 S441 I443K380-M411 PolarHBondContact N-O 3.13Å; K381-M411 HydrophobicContact CB-CB 4.44Å; K381-M411 HydrophobicContact CB-CE 4.22Å; K381-M411 PolarHBondContact N-O 3.08Å; K381-M411 PolarHBondContact O-N 3.4Å; M411-R416 WeakPolarHBondContact CA-O 3.39Å; M411-V417 HydrophobicContact CB-CG2 4.07Å; M411-V417 HydrophobicContact CG-CG2 3.87Å; M411-V417 HydrophobicContact SD-CG2 4.37Å; M411-I440 HydrophobicContact SD-CB 4.2Å; M411-I440 HydrophobicContact SD-CG2 3.71Å; M411-S441 VanDerWaalsContact CE-O 3.32Å; M411-S441 WeakPolarHBondContact CE-O 3.16Å; M411-I443 HydrophobicContact CB-CD1 3.88Å; M411-I443 HydrophobicContact CB-CG1 4.24Å; M411-I443 HydrophobicContact SD-CG2 4.02Å
412D94.6Very high90.2Very high3 Ų330.6 Ų30.62%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-96171.4174.976.68.8000113.3N378 L379 A414 G415 R416 F418N378-D412 CarbonylContact O-C 3.54Å; N378-D412 VanDerWaalsContact O-CA 3.31Å; N378-D412 WeakPolarHBondContact O-CA 3.44Å; N378-D412 WeakPolarHBondContact O-CB 3.23Å; L379-D412 HydrophobicContact CD2-CB 4.2Å; D412-A414 PolarHBondContact O-N 2.98Å; D412-A414 WeakPolarHBondContact OD1-CA 3.28Å; D412-A414 WeakPolarHBondContact OD1-CB 3.2Å; D412-A414 PolarHBondContact OD1-N 3.36Å; D412-G415 PolarHBondContact O-N 2.92Å; D412-G415 VanDerWaalsContact O-N 3.09Å; D412-G415 PolarHBondContact OD1-N 3.02Å; D412-G415 VanDerWaalsContact OD1-N 3.11Å; D412-R416 PolarHBondContact N-O 3.26Å; D412-R416 WeakPolarHBondContact OD1-CB 3.15Å; D412-R416 PolarHBondContact OD1-N 2.88Å; D412-R416 IonicContact OD1-NE 2.75Å; D412-R416 IonicContact OD2-CZ 2.77Å; D412-R416 IonicContact OD2-NE 3.05Å; D412-R416 PolarHBondContact OD2-NE 3.28Å; D412-R416 IonicContact OD2-NH2 3.79Å; D412-R416 PolarHBondContact OD2-NH2 2.97Å; D412-F418 HydrophobicContact CB-CE2 4.46Å
413G91.7Very high90.1Very high51 Ų5130 Ų3053%0.52617%0.17SC..THydrogen-bonded Turntrans-67.5-8.9178.700000115.4N378N378-G413 PolarHBondContact O-N 3.24Å
414A91.1Very high89.5Confident63 Ų6333.3 Ų33.352%0.52119%0.187SC..THydrogen-bonded Turntrans-93.30.2173.700000112.2D412 S439D412-A414 PolarHBondContact O-N 2.98Å; D412-A414 WeakPolarHBondContact OD1-CA 3.28Å; D412-A414 WeakPolarHBondContact OD1-CB 3.2Å; D412-A414 PolarHBondContact OD1-N 3.36Å; A414-S439 PolarHBondContact O-OG 3.49Å
415G89.6Confident88.5Confident3 Ų335.4 Ų35.43%0.03121%0.21CC..SBendtrans78.318.4-177.800000114.2D412 I440D412-G415 PolarHBondContact O-N 2.92Å; D412-G415 VanDerWaalsContact O-N 3.09Å; D412-G415 PolarHBondContact OD1-N 3.02Å; D412-G415 VanDerWaalsContact OD1-N 3.11Å; G415-I440 WeakPolarHBondContact CA-O 3.15Å; G415-I440 WeakPolarHBondContact O-CB 3.47Å; G415-I440 PolarHBondContact O-N 3.3Å
416R90.3Very high87.8Confident140 Ų14033.1 Ų33.153%0.52821%0.206SC..  trans-82135.5170.2-60.3-179.4-63.7-175.30.6108.8M411 D412 F418M411-R416 WeakPolarHBondContact CA-O 3.39Å; D412-R416 PolarHBondContact N-O 3.26Å; D412-R416 WeakPolarHBondContact OD1-CB 3.15Å; D412-R416 PolarHBondContact OD1-N 2.88Å; D412-R416 IonicContact OD1-NE 2.75Å; D412-R416 IonicContact OD2-CZ 2.77Å; D412-R416 IonicContact OD2-NE 3.05Å; D412-R416 PolarHBondContact OD2-NE 3.28Å; D412-R416 IonicContact OD2-NH2 3.79Å; D412-R416 PolarHBondContact OD2-NH2 2.97Å; R416-F418 HydrophobicContact CB-CE2 4.32Å; R416-F418 HydrophobicContact CB-CZ 4.33Å
417V91.2Very high87.4Confident10 Ų1034.8 Ų34.86%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-113.6129.6176.4-1760000110.4A410 M411 W432 I440 I443 F452A410-V417 CarbonylContact O-C 3.56Å; A410-V417 WeakPolarHBondContact O-CA 3.48Å; M411-V417 HydrophobicContact CB-CG2 4.07Å; M411-V417 HydrophobicContact CG-CG2 3.87Å; M411-V417 HydrophobicContact SD-CG2 4.37Å; V417-W432 HydrophobicContact CB-CH2 3.66Å; V417-W432 HydrophobicContact CB-CZ2 3.48Å; V417-W432 VanDerWaalsContact CB-CZ2 3.48Å; V417-W432 HydrophobicContact CG1-CH2 4.04Å; V417-W432 HydrophobicContact CG1-CZ2 3.79Å; V417-W432 HydrophobicContact CG2-CH2 4.43Å; V417-W432 WeakPolarHBondContact O-CZ2 3.38Å; V417-W432 PolarHBondContact O-NE1 2.96Å; V417-I440 HydrophobicContact CG2-CB 3.8Å; V417-I440 HydrophobicContact CG2-CG1 3.75Å; V417-I440 HydrophobicContact CG2-CG2 3.89Å; V417-I443 HydrophobicContact CG1-CG2 4.32Å; V417-I443 HydrophobicContact CG2-CG2 3.74Å; V417-F452 HydrophobicContact CB-CE1 4.46Å; V417-F452 HydrophobicContact CG1-CE1 3.98Å; V417-F452 HydrophobicContact CG2-CD1 4.33Å; V417-F452 HydrophobicContact CG2-CE1 4.48Å
418F91.6Very high87.1Confident34 Ų3438.7 Ų38.715%0.14923%0.231CC..EExtended strand (participates in β ladder)trans-104.9140.8174.1-52.8-85.8000108.9Q376 L379 L409 A410 D412 R416 W420Q376-F418 VanDerWaalsContact OE1-CZ 3.29Å; L379-F418 HydrophobicContact CD2-CD2 4.27Å; L379-F418 HydrophobicContact CD2-CE2 4.41Å; L409-F418 WeakPolarHBondContact CA-O 3.21Å; A410-F418 PolarHBondContact N-O 3.3Å; A410-F418 PolarHBondContact O-N 3.41Å; D412-F418 HydrophobicContact CB-CE2 4.46Å; R416-F418 HydrophobicContact CB-CE2 4.32Å; R416-F418 HydrophobicContact CB-CZ 4.33Å; F418-W420 HydrophobicContact CB-CE3 4.34Å; F418-W420 HydrophobicContact CB-CH2 3.23Å; F418-W420 HydrophobicContact CB-CZ2 4Å; F418-W420 HydrophobicContact CB-CZ3 3.44Å; F418-W420 VanDerWaalsContact CB-CZ3 3.44Å; F418-W420 HydrophobicContact CG-CH2 4.04Å
419C91Very high86.7Confident1 Ų144.2 Ų44.21%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-134.9135-178.8177.10000110.4V408 L409 Q429 C430 W464 M478V408-C419 WeakPolarHBondContact O-CA 3.36Å; L409-C419 HydrophobicContact CD2-CB 3.53Å; L409-C419 VanDerWaalsContact CD2-SG 3.53Å; C419-Q429 CarbonylContact O-C 3.54Å; C419-Q429 WeakPolarHBondContact O-CA 3.26Å; C419-Q429 WeakPolarHBondContact O-CG 3.44Å; C419-C430 HydrophobicContact CB-CB 4.12Å; C419-C430 PolarHBondContact O-N 3.3Å; C419-W464 WeakPolarHBondContact SG-CH2 3.46Å; C419-M478 HydrophobicContact CB-CE 3.55Å; C419-M478 WeakPolarHBondContact SG-CE 3.2Å
420W91.8Very high86.2Confident9 Ų944.6 Ų44.63%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-127.4140.3169.8-58.3-102.1000109.9I361 M372 A373 Q376 C407 V408 A410 F418 L427 K428 Q429I361-W420 HydrophobicContact CD1-CH2 3.53Å; I361-W420 HydrophobicContact CD1-CZ2 4.27Å; I361-W420 HydrophobicContact CD1-CZ3 3.84Å; M372-W420 HydrophobicContact CE-CB 3.65Å; M372-W420 HydrophobicContact CE-CD2 3.27Å; M372-W420 HydrophobicContact CE-CE3 3.56Å; M372-W420 HydrophobicContact CE-CG 3.31Å; M372-W420 HydrophobicContact CE-CZ3 4.31Å; A373-W420 HydrophobicContact CB-CH2 4.33Å; A373-W420 HydrophobicContact CB-CZ2 3.62Å; Q376-W420 HydrophobicContact CG-CH2 4.38Å; C407-W420 CarbonylContact C-O 3.59Å; C407-W420 WeakPolarHBondContact CA-O 3.48Å; V408-W420 HydrophobicContact CB-CB 4.45Å; V408-W420 HydrophobicContact CB-CE3 4.31Å; V408-W420 HydrophobicContact CG1-CE3 4.24Å; V408-W420 PolarHBondContact N-O 3.41Å; V408-W420 PolarHBondContact O-N 3.46Å; A410-W420 HydrophobicContact CB-CH2 4.43Å; A410-W420 HydrophobicContact CB-CZ3 3.91Å; F418-W420 HydrophobicContact CB-CE3 4.34Å; F418-W420 HydrophobicContact CB-CH2 3.23Å; F418-W420 HydrophobicContact CB-CZ2 4Å; F418-W420 HydrophobicContact CB-CZ3 3.44Å; F418-W420 VanDerWaalsContact CB-CZ3 3.44Å; F418-W420 HydrophobicContact CG-CH2 4.04Å; W420-L427 HydrophobicContact CB-CD2 3.58Å; W420-L427 HydrophobicContact CB-CG 3.82Å; W420-L427 HydrophobicContact CG-CD2 4.27Å; W420-K428 CarbonylContact C-O 3.13Å; W420-K428 VanDerWaalsContact CA-O 3.29Å; W420-K428 WeakPolarHBondContact CA-O 3.39Å; W420-Q429 HydrophobicContact CG-CB 4.45Å
421R89.3Confident85.4Confident39 Ų3952.9 Ų52.915%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-136.3143.8177.8-166.3178-173.5-160.96110.9I406 I423 K428 W464I406-R421 CarbonylContact O-C 3.53Å; I406-R421 VanDerWaalsContact O-CA 3.26Å; I406-R421 WeakPolarHBondContact O-CA 3.32Å; R421-I423 PolarHBondContact O-N 3.29Å; R421-K428 PolarHBondContact N-O 3.04Å; R421-K428 PolarHBondContact O-N 3.29Å; R421-W464 HydrophobicContact CB-CH2 4.23Å; R421-W464 HydrophobicContact CB-CZ3 4.32Å; R421-W464 HydrophobicContact CG-CH2 4.36Å
422S85.9Confident84.5Confident19 Ų1957.1 Ų57.113%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-71.4125.1174.469.50000110.5K405 I406 S426K405-S422 VanDerWaalsContact CA-OG 3.24Å; K405-S422 WeakPolarHBondContact CA-OG 3.31Å; K405-S422 WeakPolarHBondContact CB-OG 3.46Å; I406-S422 PolarHBondContact N-OG 3.3Å; I406-S422 PolarHBondContact O-N 3.46Å; S422-S426 WeakPolarHBondContact CA-O 3.34Å
423I72.8Confident83.5Confident26 Ų2659.1 Ų59.113%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-118.5108.7169.4-51.5178.1000104.1R421 S425 S426 K428 A476R421-I423 PolarHBondContact O-N 3.29Å; I423-S425 PolarHBondContact O-N 2.92Å; I423-S426 PolarHBondContact N-O 3.31Å; I423-S426 PolarHBondContact O-N 3.43Å; I423-S426 VanDerWaalsContact O-O 3.09Å; I423-S426 PolarHBondContact O-OG 3.44Å; I423-K428 HydrophobicContact CD1-CB 4.1Å; I423-K428 HydrophobicContact CD1-CD 4.13Å; I423-K428 HydrophobicContact CD1-CG 4.32Å; I423-A476 HydrophobicContact CD1-CB 3.44Å; I423-A476 VanDerWaalsContact CD1-CB 3.44Å; I423-A476 HydrophobicContact CG1-CB 4.09Å
424S69.1Low82.5Confident107 Ų10758 Ų5875%0.74830%0.303SS*.THydrogen-bonded Turntrans53.6-126-165.667.10000112.5
425S66Low81.3Confident117 Ų11759.8 Ų59.882%0.81831%0.309SS*.THydrogen-bonded Turntrans-87.3-1.9-176.155.60000114.1I423I423-S425 PolarHBondContact O-N 2.92Å
426S73.3Confident80.5Confident46 Ų4662.6 Ų62.632%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-117.8141.1-176.469.20000111.8S422 I423S422-S426 WeakPolarHBondContact CA-O 3.34Å; I423-S426 PolarHBondContact N-O 3.31Å; I423-S426 PolarHBondContact O-N 3.43Å; I423-S426 VanDerWaalsContact O-O 3.09Å; I423-S426 PolarHBondContact O-OG 3.44Å
427L83.7Confident79.8Confident47 Ų4764.7 Ų64.725%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-87.1121.9171.6-15782.1000108.7L363 M372 I406 V408 W420L363-L427 HydrophobicContact CD2-CD2 4.36Å; M372-L427 HydrophobicContact CB-CD2 4.21Å; M372-L427 HydrophobicContact CE-CD2 3.37Å; M372-L427 HydrophobicContact SD-CD2 3.58Å; M372-L427 VanDerWaalsContact SD-CD2 3.58Å; I406-L427 HydrophobicContact CB-CD1 4.05Å; I406-L427 HydrophobicContact CG2-CD1 3.86Å; V408-L427 HydrophobicContact CG2-CD2 4.34Å; W420-L427 HydrophobicContact CB-CD2 3.58Å; W420-L427 HydrophobicContact CB-CG 3.82Å; W420-L427 HydrophobicContact CG-CD2 4.27Å
428K85.4Confident79.1Confident86 Ų8665.6 Ų65.637%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-116.3142.3179-62-159.1-174.4-178.20110.9W420 R421 I423 C430W420-K428 CarbonylContact C-O 3.13Å; W420-K428 VanDerWaalsContact CA-O 3.29Å; W420-K428 WeakPolarHBondContact CA-O 3.39Å; R421-K428 PolarHBondContact N-O 3.04Å; R421-K428 PolarHBondContact O-N 3.29Å; I423-K428 HydrophobicContact CD1-CB 4.1Å; I423-K428 HydrophobicContact CD1-CD 4.13Å; I423-K428 HydrophobicContact CD1-CG 4.32Å; K428-C430 PolarHBondContact O-N 3.18Å
429Q87.4Confident78.8Confident116 Ų11666.2 Ų66.254%0.54235%0.349SS..EExtended strand (participates in β ladder)trans-69.6126.7173.3-165.6175.81.900110C419 W420C419-Q429 CarbonylContact O-C 3.54Å; C419-Q429 WeakPolarHBondContact O-CA 3.26Å; C419-Q429 WeakPolarHBondContact O-CG 3.44Å; W420-Q429 HydrophobicContact CG-CB 4.45Å
430C84.4Confident78.8Confident9 Ų966.7 Ų66.76%0.06135%0.351CS..PPolyproline II helixtrans-81150.4178.8-64.40000111C419 K428C419-C430 HydrophobicContact CB-CB 4.12Å; C419-C430 PolarHBondContact O-N 3.3Å; K428-C430 PolarHBondContact O-N 3.18Å
431R78.4Confident78.7Confident173 Ų17368.3 Ų68.365%0.65336%0.364SS*.EExtended strand (participates in β ladder)trans-102.3142.8171.7-66.6-174.4-177.6-172.2-1.5110.7A433 F477 M478R431-A433 PolarHBondContact O-N 3.46Å; R431-F477 HydrophobicContact CB-CD1 3.99Å; R431-F477 HydrophobicContact CB-CE1 4.19Å; R431-M478 PolarHBondContact O-N 3.4Å; R431-M478 VanDerWaalsContact O-N 3.08Å
432W77.1Confident78.7Confident101 Ų10166.9 Ų66.938%0.38336%0.359SS..EExtended strand (participates in β ladder)trans-72.1122.5173-62.780.6000109.1V417 Y434 F452 F480V417-W432 HydrophobicContact CB-CH2 3.66Å; V417-W432 HydrophobicContact CB-CZ2 3.48Å; V417-W432 VanDerWaalsContact CB-CZ2 3.48Å; V417-W432 HydrophobicContact CG1-CH2 4.04Å; V417-W432 HydrophobicContact CG1-CZ2 3.79Å; V417-W432 HydrophobicContact CG2-CH2 4.43Å; V417-W432 WeakPolarHBondContact O-CZ2 3.38Å; V417-W432 PolarHBondContact O-NE1 2.96Å; W432-Y434 VanDerWaalsContact C-N 3.31Å; W432-F452 HydrophobicContact CH2-CD1 4.16Å; W432-F452 AromaticContact CH2-CE1 3.58Å; W432-F452 HydrophobicContact CH2-CE1 3.58Å; W432-F452 HydrophobicContact CH2-CZ 4.03Å; W432-F452 HydrophobicContact CZ3-CE1 4.34Å; W432-F480 AromaticContact CD2-CE2 3.9Å; W432-F480 HydrophobicContact CD2-CE2 3.9Å; W432-F480 AromaticContact CD2-CZ 3.91Å; W432-F480 HydrophobicContact CD2-CZ 3.91Å; W432-F480 HydrophobicContact CE3-CD2 4Å; W432-F480 AromaticContact CE3-CE1 3.83Å; W432-F480 HydrophobicContact CE3-CE1 3.83Å; W432-F480 AromaticContact CE3-CE2 3.13Å; W432-F480 HydrophobicContact CE3-CE2 3.13Å; W432-F480 AromaticContact CE3-CZ 3.05Å; W432-F480 HydrophobicContact CE3-CZ 3.05Å; W432-F480 AromaticContact CH2-CE1 3.85Å; W432-F480 HydrophobicContact CH2-CE1 3.85Å; W432-F480 HydrophobicContact CH2-CE2 4.38Å; W432-F480 AromaticContact CH2-CZ 3.46Å; W432-F480 HydrophobicContact CH2-CZ 3.46Å; W432-F480 VanDerWaalsContact CH2-CZ 3.46Å; W432-F480 HydrophobicContact CZ2-CZ 4.23Å; W432-F480 HydrophobicContact CZ3-CD1 4.2Å; W432-F480 HydrophobicContact CZ3-CD2 4.35Å; W432-F480 AromaticContact CZ3-CE1 3.22Å; W432-F480 HydrophobicContact CZ3-CE1 3.22Å; W432-F480 AromaticContact CZ3-CE2 3.49Å; W432-F480 HydrophobicContact CZ3-CE2 3.49Å; W432-F480 VanDerWaalsContact CZ3-CE2 3.49Å; W432-F480 AromaticContact CZ3-CZ 2.84Å; W432-F480 HydrophobicContact CZ3-CZ 2.84Å
433A71.8Confident79.1Confident44 Ų4466 Ų6636%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-10252.2169.300000109.3R431 F477 M478 R479R431-A433 PolarHBondContact O-N 3.46Å; A433-F477 HydrophobicContact CB-CB 4.48Å; A433-M478 WeakPolarHBondContact CB-O 3.28Å; A433-M478 PolarHBondContact N-O 2.92Å; A433-R479 HydrophobicContact CB-CG 3.62Å
434Y70.4Confident80Confident29 Ų2965 Ų6511%0.11435%0.348CS..  trans-133.2122.8174-167.4-114.7000107.7W432 R436 V438 F460 F480W432-Y434 VanDerWaalsContact C-N 3.31Å; Y434-R436 VanDerWaalsContact C-N 3.34Å; Y434-R436 HydrophobicContact CD1-CB 4.12Å; Y434-R436 VanDerWaalsContact CD1-O 3.28Å; Y434-R436 WeakPolarHBondContact CD1-O 3.32Å; Y434-R436 HydrophobicContact CE1-CB 3.63Å; Y434-R436 PolarHBondContact O-N 2.65Å; Y434-V438 HydrophobicContact CD1-CG2 4Å; Y434-V438 HydrophobicContact CE1-CG2 3.5Å; Y434-F460 HydrophobicContact CE1-CE1 4.11Å; Y434-F460 HydrophobicContact CE2-CE1 4.47Å; Y434-F460 AromaticContact CZ-CE1 3.86Å; Y434-F480 HydrophobicContact CD2-CB 4.17Å; Y434-F480 HydrophobicContact CG-CB 4.39Å
435P67.6Low80.9Confident99 Ų9960.8 Ų60.864%0.64332%0.317SS*.SBendtrans-74.8-24.5-169.128.7-34.4000113.1
436R72.6Confident81.6Confident63 Ų6356.8 Ų56.824%0.23829%0.287CS..SBendtrans-86.6134.9-178.7-171.6179.179.4159.311110.3Y434 V438 E458Y434-R436 VanDerWaalsContact C-N 3.34Å; Y434-R436 HydrophobicContact CD1-CB 4.12Å; Y434-R436 VanDerWaalsContact CD1-O 3.28Å; Y434-R436 WeakPolarHBondContact CD1-O 3.32Å; Y434-R436 HydrophobicContact CE1-CB 3.63Å; Y434-R436 PolarHBondContact O-N 2.65Å; R436-V438 HydrophobicContact CB-CG2 4.46Å; R436-V438 HydrophobicContact CG-CG2 4.29Å; R436-V438 PolarHBondContact O-N 3.23Å; R436-E458 IonicContact CZ-OE1 2.8Å; R436-E458 IonicContact CZ-OE2 3.18Å; R436-E458 IonicContact NH1-OE1 3.81Å; R436-E458 PolarHBondContact NH1-OE1 2.9Å; R436-E458 IonicContact NH2-OE1 2.96Å; R436-E458 PolarHBondContact NH2-OE1 3.47Å; R436-E458 IonicContact NH2-OE2 2.65Å; R436-E458 PolarHBondContact NH2-OE2 3.44Å
437Q74.4Confident81.6Confident183 Ų18360.5 Ų60.586%0.85529%0.294SS*.  trans-74.8123.3166.1-174.6172.7-2.900108.5
438V77.9Confident81.1Confident30 Ų3064.2 Ų64.218%0.18231%0.314CS..  trans-121131.1-179.9-172.50000108.4Y434 R436 I440 T454 F460Y434-V438 HydrophobicContact CD1-CG2 4Å; Y434-V438 HydrophobicContact CE1-CG2 3.5Å; R436-V438 HydrophobicContact CB-CG2 4.46Å; R436-V438 HydrophobicContact CG-CG2 4.29Å; R436-V438 PolarHBondContact O-N 3.23Å; V438-I440 HydrophobicContact CB-CD1 4.22Å; V438-I440 HydrophobicContact CG1-CD1 3.86Å; V438-T454 HydrophobicContact CG1-CG2 3.16Å; V438-F460 HydrophobicContact CG1-CE2 4.21Å; V438-F460 HydrophobicContact CG1-CZ 4.4Å; V438-F460 HydrophobicContact CG2-CZ 4.41Å
439S85.3Confident80.9Confident47 Ų4763.2 Ų63.233%0.32931%0.311SS..  trans-84.9113.7172.1-171.50000109.2A414 T454 Q455A414-S439 PolarHBondContact O-OG 3.49Å; S439-T454 WeakPolarHBondContact O-CA 3.43Å; S439-T454 WeakPolarHBondContact O-CB 3.4Å; S439-Q455 PolarHBondContact O-N 3.49Å; S439-Q455 PolarHBondContact OG-NE2 3.04Å
440I89.3Confident80.9Confident10 Ų1057.7 Ų57.75%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-86.9131.4-178.3-54.8-53.5000109.6M411 G415 V417 V438 D442 I443 F452 V453 T454M411-I440 HydrophobicContact SD-CB 4.2Å; M411-I440 HydrophobicContact SD-CG2 3.71Å; G415-I440 WeakPolarHBondContact CA-O 3.15Å; G415-I440 WeakPolarHBondContact O-CB 3.47Å; G415-I440 PolarHBondContact O-N 3.3Å; V417-I440 HydrophobicContact CG2-CB 3.8Å; V417-I440 HydrophobicContact CG2-CG1 3.75Å; V417-I440 HydrophobicContact CG2-CG2 3.89Å; V438-I440 HydrophobicContact CB-CD1 4.22Å; V438-I440 HydrophobicContact CG1-CD1 3.86Å; I440-D442 VanDerWaalsContact CG2-O 3.23Å; I440-D442 WeakPolarHBondContact CG2-O 3.31Å; I440-I443 HydrophobicContact CG2-CG2 3.68Å; I440-F452 HydrophobicContact CD1-CB 4.04Å; I440-F452 HydrophobicContact CG2-CB 4.15Å; I440-F452 HydrophobicContact CG2-CD1 4.33Å; I440-V453 CarbonylContact C-O 3.57Å; I440-V453 WeakPolarHBondContact CA-O 3.44Å; I440-V453 VanDerWaalsContact CG2-O 3.3Å; I440-V453 WeakPolarHBondContact CG2-O 3.47Å; I440-T454 HydrophobicContact CD1-CG2 4.3Å
441S89.8Confident81.1Confident44 Ų4458.8 Ų58.831%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-92-36.3174.556.80000112.2M411 V453 T454M411-S441 VanDerWaalsContact CE-O 3.32Å; M411-S441 WeakPolarHBondContact CE-O 3.16Å; S441-V453 PolarHBondContact N-O 3.45Å; S441-V453 PolarHBondContact OG-O 3Å; S441-V453 VanDerWaalsContact OG-O 3.05Å; S441-T454 PolarHBondContact OG-O 3.18Å
442D90.6Very high81.5Confident9 Ų950.6 Ų50.65%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-150.9157.9174.7-16124.4000114.2K381 I440 F452 V453 K490 N491 L492K381-D442 WeakPolarHBondContact CD-OD1 3.4Å; K381-D442 WeakPolarHBondContact CE-OD1 3.26Å; K381-D442 IonicContact NZ-OD1 2.77Å; K381-D442 PolarHBondContact NZ-OD1 3.25Å; K381-D442 IonicContact NZ-OD2 2.67Å; K381-D442 PolarHBondContact NZ-OD2 2.94Å; I440-D442 VanDerWaalsContact CG2-O 3.23Å; I440-D442 WeakPolarHBondContact CG2-O 3.31Å; D442-F452 WeakPolarHBondContact O-CA 3.42Å; D442-V453 PolarHBondContact N-O 3.11Å; D442-V453 PolarHBondContact O-N 3.01Å; D442-K490 WeakPolarHBondContact CB-O 3.45Å; D442-N491 WeakPolarHBondContact OD2-CA 3.32Å; D442-L492 PolarHBondContact OD2-N 3.41Å
443I92.9Very high81.9Confident0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-130.2146.8179.158.4168.8000112.1K381 L383 L409 M411 V417 I440 L451 F452K381-I443 HydrophobicContact CB-CG1 4.43Å; K381-I443 HydrophobicContact CD-CG1 3.84Å; K381-I443 WeakPolarHBondContact CE-O 3.41Å; K381-I443 HydrophobicContact CG-CG1 4.25Å; K381-I443 PolarHBondContact NZ-O 3.41Å; L383-I443 HydrophobicContact CD1-CB 4.43Å; L383-I443 HydrophobicContact CD1-CD1 4.01Å; L383-I443 HydrophobicContact CD1-CG1 3.87Å; L383-I443 HydrophobicContact CG-CD1 4.39Å; L409-I443 HydrophobicContact CB-CD1 3.83Å; M411-I443 HydrophobicContact CB-CD1 3.88Å; M411-I443 HydrophobicContact CB-CG1 4.24Å; M411-I443 HydrophobicContact SD-CG2 4.02Å; V417-I443 HydrophobicContact CG1-CG2 4.32Å; V417-I443 HydrophobicContact CG2-CG2 3.74Å; I440-I443 HydrophobicContact CG2-CG2 3.68Å; I443-L451 CarbonylContact C-O 3.55Å; I443-L451 WeakPolarHBondContact CA-O 3.46Å; I443-F452 HydrophobicContact CB-CD1 4.49Å; I443-F452 HydrophobicContact CG2-CD1 3.52Å; I443-F452 HydrophobicContact CG2-CE1 4.02Å; I443-F452 HydrophobicContact CG2-CG 4.42Å
444A91.6Very high82.5Confident4 Ų443.9 Ų43.93%0.03322%0.224CC..EExtended strand (participates in β ladder)trans-136.2152.9165.200000111.3I450 L451 L492A444-I450 WeakPolarHBondContact O-CA 3.42Å; A444-I450 WeakPolarHBondContact O-CG2 3.3Å; A444-L451 HydrophobicContact CB-CB 4.32Å; A444-L451 PolarHBondContact N-O 3.22Å; A444-L451 PolarHBondContact O-N 3.35Å; A444-L492 HydrophobicContact CB-CB 3.44Å; A444-L492 VanDerWaalsContact CB-CB 3.44Å; A444-L492 HydrophobicContact CB-CD1 4.25Å
445L89.4Confident82.7Confident20 Ų2048.8 Ų48.811%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-138.4124.2-174.317764.8000108.6L383 C407 L409 I450 S494L383-L445 HydrophobicContact CB-CB 4.04Å; L383-L445 HydrophobicContact CB-CD2 4.07Å; L383-L445 HydrophobicContact CD1-CB 3.91Å; C407-L445 HydrophobicContact CB-CD2 4.43Å; L409-L445 HydrophobicContact CD1-CB 4.02Å; L409-L445 HydrophobicContact CD1-CD1 4.06Å; L409-L445 HydrophobicContact CD1-CD2 4.29Å; L409-L445 HydrophobicContact CD1-CG 4.35Å; L409-L445 HydrophobicContact CG-CD2 4.33Å; L445-I450 HydrophobicContact CD1-CD1 4.41Å; L445-I450 HydrophobicContact CD1-CG1 3.73Å; L445-S494 PolarHBondContact N-OG 2.48Å; L445-S494 PolarHBondContact O-OG 2.89Å; L445-S494 VanDerWaalsContact O-OG 3.13Å
446N80.5Confident82.9Confident32 Ų3249.8 Ų49.817%0.17125%0.248CC..  trans-114.8-168.5162.971.725.2000110.1S385 N448 E449 S494 S495S385-N446 PolarHBondContact OG-O 2.96Å; N446-N448 PolarHBondContact O-N 3.46Å; N446-N448 PolarHBondContact OD1-N 2.83Å; N446-E449 PolarHBondContact N-O 2.84Å; N446-E449 WeakPolarHBondContact OD1-CA 3.49Å; N446-E449 WeakPolarHBondContact OD1-CB 3.09Å; N446-E449 PolarHBondContact OD1-N 3.31Å; N446-E449 PolarHBondContact OD1-O 2.91Å; N446-S494 PolarHBondContact N-OG 3.04Å; N446-S495 VanDerWaalsContact CB-O 3.28Å; N446-S495 WeakPolarHBondContact CB-O 3.31Å
447R73.8Confident82.8Confident125 Ų12547 Ų4747%0.47224%0.239SC..SBendtrans-60.5-32.3-176.7-70.2178.5170.8-163.2-5.8113.7D349D349-R447 IonicContact OD2-CZ 3.49Å; D349-R447 IonicContact OD2-NH2 3.28Å; D349-R447 PolarHBondContact OD2-NH2 2.91Å
448N72.8Confident82.9Confident124 Ų12439.9 Ų39.966%0.66321%0.206SC*.SBendtrans-122.3-20.9-167.8-67.2-15.8000113.6N446N446-N448 PolarHBondContact O-N 3.46Å; N446-N448 PolarHBondContact OD1-N 2.83Å
449E81.7Confident82.9Confident66 Ų6639.2 Ų39.231%0.30821%0.205SC..  trans-133.8148-164.6-48.3-169151.900110N446 K461N446-E449 PolarHBondContact N-O 2.84Å; N446-E449 WeakPolarHBondContact OD1-CA 3.49Å; N446-E449 WeakPolarHBondContact OD1-CB 3.09Å; N446-E449 PolarHBondContact OD1-N 3.31Å; N446-E449 PolarHBondContact OD1-O 2.91Å; E449-K461 WeakPolarHBondContact OE1-CE 3.39Å; E449-K461 IonicContact OE1-NZ 2.74Å; E449-K461 PolarHBondContact OE1-NZ 3.46Å; E449-K461 WeakPolarHBondContact OE2-CE 3.48Å; E449-K461 IonicContact OE2-NZ 2.75Å; E449-K461 PolarHBondContact OE2-NZ 3.05Å
450I86.6Confident82.7Confident0 Ų037.3 Ų37.30%019%0.191CC..EExtended strand (participates in β ladder)trans-121133.2172.1-48.3173.1000107.2L409 A444 L445 F452 K461 G462 W464 M478L409-I450 HydrophobicContact CD1-CB 4.37Å; L409-I450 HydrophobicContact CD1-CD1 4.13Å; L409-I450 HydrophobicContact CD1-CG1 4.22Å; L409-I450 HydrophobicContact CD1-CG2 3.26Å; L409-I450 HydrophobicContact CD2-CD1 4.18Å; A444-I450 WeakPolarHBondContact O-CA 3.42Å; A444-I450 WeakPolarHBondContact O-CG2 3.3Å; L445-I450 HydrophobicContact CD1-CD1 4.41Å; L445-I450 HydrophobicContact CD1-CG1 3.73Å; I450-F452 HydrophobicContact CB-CE2 3.58Å; I450-F452 HydrophobicContact CB-CZ 3.8Å; I450-F452 HydrophobicContact CD1-CZ 4.45Å; I450-F452 HydrophobicContact CG2-CD2 4.1Å; I450-F452 HydrophobicContact CG2-CE1 3.81Å; I450-F452 HydrophobicContact CG2-CE2 3.23Å; I450-F452 HydrophobicContact CG2-CZ 3.08Å; I450-K461 CarbonylContact O-C 3.28Å; I450-K461 WeakPolarHBondContact O-CA 3.31Å; I450-G462 PolarHBondContact O-N 2.8Å; I450-W464 HydrophobicContact CD1-CH2 3.73Å; I450-W464 HydrophobicContact CD1-CZ2 3.32Å; I450-W464 HydrophobicContact CG1-CZ2 4.18Å; I450-M478 HydrophobicContact CD1-CE 3.36Å; I450-M478 HydrophobicContact CD1-SD 3.52Å; I450-M478 VanDerWaalsContact CD1-SD 3.52Å
451L88.1Confident82.3Confident32 Ų3239 Ų3917%0.16820%0.198CC..EExtended strand (participates in β ladder)trans-113.9140.6176.6-58.6175.8000108.6I443 A444 F460 K461 L492I443-L451 CarbonylContact C-O 3.55Å; I443-L451 WeakPolarHBondContact CA-O 3.46Å; A444-L451 HydrophobicContact CB-CB 4.32Å; A444-L451 PolarHBondContact N-O 3.22Å; A444-L451 PolarHBondContact O-N 3.35Å; L451-F460 WeakPolarHBondContact CA-O 3.46Å; L451-K461 HydrophobicContact CD2-CB 4.21Å; L451-K461 HydrophobicContact CD2-CG 4.17Å; L451-L492 VanDerWaalsContact C-CD1 3.44Å; L451-L492 HydrophobicContact CB-CD1 3.52Å; L451-L492 HydrophobicContact CB-CD2 4.46Å; L451-L492 WeakPolarHBondContact O-CD1 3.32Å
452F87.1Confident81.8Confident1 Ų137 Ų370%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-135148.1176-45.5-105.4000108.5V417 W432 I440 D442 I443 I450 G459 F460 M478 F480V417-F452 HydrophobicContact CB-CE1 4.46Å; V417-F452 HydrophobicContact CG1-CE1 3.98Å; V417-F452 HydrophobicContact CG2-CD1 4.33Å; V417-F452 HydrophobicContact CG2-CE1 4.48Å; W432-F452 HydrophobicContact CH2-CD1 4.16Å; W432-F452 AromaticContact CH2-CE1 3.58Å; W432-F452 HydrophobicContact CH2-CE1 3.58Å; W432-F452 HydrophobicContact CH2-CZ 4.03Å; W432-F452 HydrophobicContact CZ3-CE1 4.34Å; I440-F452 HydrophobicContact CD1-CB 4.04Å; I440-F452 HydrophobicContact CG2-CB 4.15Å; I440-F452 HydrophobicContact CG2-CD1 4.33Å; D442-F452 WeakPolarHBondContact O-CA 3.42Å; I443-F452 HydrophobicContact CB-CD1 4.49Å; I443-F452 HydrophobicContact CG2-CD1 3.52Å; I443-F452 HydrophobicContact CG2-CE1 4.02Å; I443-F452 HydrophobicContact CG2-CG 4.42Å; I450-F452 HydrophobicContact CB-CE2 3.58Å; I450-F452 HydrophobicContact CB-CZ 3.8Å; I450-F452 HydrophobicContact CD1-CZ 4.45Å; I450-F452 HydrophobicContact CG2-CD2 4.1Å; I450-F452 HydrophobicContact CG2-CE1 3.81Å; I450-F452 HydrophobicContact CG2-CE2 3.23Å; I450-F452 HydrophobicContact CG2-CZ 3.08Å; F452-G459 WeakPolarHBondContact O-CA 3.29Å; F452-F460 HydrophobicContact CB-CB 4.15Å; F452-F460 HydrophobicContact CD2-CB 4.18Å; F452-F460 PolarHBondContact N-O 3.32Å; F452-F460 PolarHBondContact O-N 2.91Å; F452-M478 HydrophobicContact CE2-SD 4.43Å; F452-M478 HydrophobicContact CZ-SD 3.91Å; F452-F480 HydrophobicContact CD2-CD1 4.1Å; F452-F480 AromaticContact CD2-CE1 3.7Å; F452-F480 HydrophobicContact CD2-CE1 3.7Å; F452-F480 HydrophobicContact CE1-CE1 4.14Å; F452-F480 AromaticContact CE2-CD1 3.9Å; F452-F480 HydrophobicContact CE2-CD1 3.9Å; F452-F480 AromaticContact CE2-CE1 3.2Å; F452-F480 HydrophobicContact CE2-CE1 3.2Å; F452-F480 HydrophobicContact CE2-CZ 4.14Å; F452-F480 HydrophobicContact CG-CE1 4.37Å; F452-F480 AromaticContact CZ-CE1 3.43Å; F452-F480 HydrophobicContact CZ-CE1 3.43Å; F452-F480 VanDerWaalsContact CZ-CE1 3.43Å; F452-F480 AromaticContact CZ-CZ 3.97Å; F452-F480 HydrophobicContact CZ-CZ 3.97Å
453V86.4Confident81.1Confident1 Ų140.9 Ų40.91%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-127.4148.3168.9-169.30000109.9I440 S441 D442 E458 L489 L492I440-V453 CarbonylContact C-O 3.57Å; I440-V453 WeakPolarHBondContact CA-O 3.44Å; I440-V453 VanDerWaalsContact CG2-O 3.3Å; I440-V453 WeakPolarHBondContact CG2-O 3.47Å; S441-V453 PolarHBondContact N-O 3.45Å; S441-V453 PolarHBondContact OG-O 3Å; S441-V453 VanDerWaalsContact OG-O 3.05Å; D442-V453 PolarHBondContact N-O 3.11Å; D442-V453 PolarHBondContact O-N 3.01Å; V453-E458 VanDerWaalsContact CA-O 3.26Å; V453-E458 WeakPolarHBondContact CA-O 2.99Å; V453-L489 HydrophobicContact CG1-CB 4.27Å; V453-L489 WeakPolarHBondContact CG1-O 3.33Å; V453-L489 HydrophobicContact CG2-CB 3.76Å; V453-L492 HydrophobicContact CG2-CD1 3.55Å; V453-L492 HydrophobicContact CG2-CD2 3.7Å; V453-L492 HydrophobicContact CG2-CG 3.54Å
454T82.7Confident80.3Confident2 Ų243.1 Ų43.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-97.4170.4178.870.50000111.7V438 S439 I440 S441 D456 G457 E458 F460V438-T454 HydrophobicContact CG1-CG2 3.16Å; S439-T454 WeakPolarHBondContact O-CA 3.43Å; S439-T454 WeakPolarHBondContact O-CB 3.4Å; I440-T454 HydrophobicContact CD1-CG2 4.3Å; S441-T454 PolarHBondContact OG-O 3.18Å; T454-D456 PolarHBondContact O-N 3.1Å; T454-D456 PolarHBondContact OG1-N 3.3Å; T454-G457 WeakPolarHBondContact O-CA 3.47Å; T454-G457 PolarHBondContact O-N 2.94Å; T454-G457 PolarHBondContact OG1-N 3.24Å; T454-E458 HydrophobicContact CG2-CB 3.97Å; T454-E458 PolarHBondContact N-O 3.07Å; T454-E458 WeakPolarHBondContact OG1-CB 3.3Å; T454-E458 PolarHBondContact OG1-N 3.48Å; T454-E458 PolarHBondContact OG1-OE2 2.94Å; T454-F460 HydrophobicContact CG2-CD2 3.99Å; T454-F460 HydrophobicContact CG2-CE2 3.43Å; T454-F460 VanDerWaalsContact CG2-CE2 3.43Å; T454-F460 HydrophobicContact CG2-CZ 4.45Å
455Q74.9Confident79.2Confident132 Ų13247.3 Ų47.362%0.61723%0.226SC*.THydrogen-bonded Turntrans-62.5-27.7172.4-64.4-176.5-5.200112.3S439 G457S439-Q455 PolarHBondContact O-N 3.49Å; S439-Q455 PolarHBondContact OG-NE2 3.04Å; Q455-G457 PolarHBondContact O-N 3.01Å
456D72.1Confident78Confident120 Ų12051.1 Ų51.164%0.64224%0.243SC*.THydrogen-bonded Turntrans-82.41.6175.1-50.8-49000112.5T454 F488T454-D456 PolarHBondContact O-N 3.1Å; T454-D456 PolarHBondContact OG1-N 3.3Å; D456-F488 VanDerWaalsContact O-CD1 3.24Å; D456-F488 WeakPolarHBondContact O-CD1 3.5Å; D456-F488 VanDerWaalsContact O-CE1 3.29Å; D456-F488 WeakPolarHBondContact O-CE1 3.45Å
457G71.4Confident76.9Confident4 Ų452.9 Ų52.94%0.04125%0.253CS..  trans75.116.5179.200000114.9T454 Q455 F488T454-G457 WeakPolarHBondContact O-CA 3.47Å; T454-G457 PolarHBondContact O-N 2.94Å; T454-G457 PolarHBondContact OG1-N 3.24Å; Q455-G457 PolarHBondContact O-N 3.01Å; G457-F488 WeakPolarHBondContact O-CA 3.46Å; G457-F488 WeakPolarHBondContact O-CD1 3.37Å
458E75.9Confident75.9Confident35 Ų3555.5 Ų55.516%0.16427%0.268CS..  trans-70.5130173.6-58171.4128.800110.6R436 V453 T454 F460R436-E458 IonicContact CZ-OE1 2.8Å; R436-E458 IonicContact CZ-OE2 3.18Å; R436-E458 IonicContact NH1-OE1 3.81Å; R436-E458 PolarHBondContact NH1-OE1 2.9Å; R436-E458 IonicContact NH2-OE1 2.96Å; R436-E458 PolarHBondContact NH2-OE1 3.47Å; R436-E458 IonicContact NH2-OE2 2.65Å; R436-E458 PolarHBondContact NH2-OE2 3.44Å; V453-E458 VanDerWaalsContact CA-O 3.26Å; V453-E458 WeakPolarHBondContact CA-O 2.99Å; T454-E458 HydrophobicContact CG2-CB 3.97Å; T454-E458 PolarHBondContact N-O 3.07Å; T454-E458 WeakPolarHBondContact OG1-CB 3.3Å; T454-E458 PolarHBondContact OG1-N 3.48Å; T454-E458 PolarHBondContact OG1-OE2 2.94Å; E458-F460 HydrophobicContact CB-CD2 4.5Å; E458-F460 HydrophobicContact CB-CE2 3.77Å; E458-F460 HydrophobicContact CB-CZ 4.49Å
459G78.9Confident74.9Confident16 Ų1658 Ų5817%0.16527%0.268CS..EExtended strand (participates in β ladder)trans-93.9129.1175.400000113.7F452 C483F452-G459 WeakPolarHBondContact O-CA 3.29Å; G459-C483 CarbonylContact O-C 3.51Å; G459-C483 PolarHBondContact O-N 3.46Å
460F79.3Confident73.1Confident7 Ų765 Ų653%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-115.8142.8175.8-66.6-100000111.6Y434 V438 L451 F452 T454 E458 F480 L482Y434-F460 HydrophobicContact CE1-CE1 4.11Å; Y434-F460 HydrophobicContact CE2-CE1 4.47Å; Y434-F460 AromaticContact CZ-CE1 3.86Å; V438-F460 HydrophobicContact CG1-CE2 4.21Å; V438-F460 HydrophobicContact CG1-CZ 4.4Å; V438-F460 HydrophobicContact CG2-CZ 4.41Å; L451-F460 WeakPolarHBondContact CA-O 3.46Å; F452-F460 HydrophobicContact CB-CB 4.15Å; F452-F460 HydrophobicContact CD2-CB 4.18Å; F452-F460 PolarHBondContact N-O 3.32Å; F452-F460 PolarHBondContact O-N 2.91Å; T454-F460 HydrophobicContact CG2-CD2 3.99Å; T454-F460 HydrophobicContact CG2-CE2 3.43Å; T454-F460 VanDerWaalsContact CG2-CE2 3.43Å; T454-F460 HydrophobicContact CG2-CZ 4.45Å; E458-F460 HydrophobicContact CB-CD2 4.5Å; E458-F460 HydrophobicContact CB-CE2 3.77Å; E458-F460 HydrophobicContact CB-CZ 4.49Å; F460-F480 HydrophobicContact CB-CD1 4.48Å; F460-F480 HydrophobicContact CD1-CB 4.47Å; F460-L482 HydrophobicContact CD1-CB 4.47Å; F460-L482 HydrophobicContact CD1-CD1 3.54Å; F460-L482 HydrophobicContact CD2-CD1 4.09Å; F460-L482 HydrophobicContact CE1-CB 4.42Å; F460-L482 HydrophobicContact CE1-CD1 3.24Å; F460-L482 HydrophobicContact CE1-CG 4.37Å; F460-L482 HydrophobicContact CE2-CD1 3.78Å; F460-L482 HydrophobicContact CG-CD1 3.96Å; F460-L482 HydrophobicContact CZ-CD1 3.35Å
461K81.7Confident71Confident46 Ų4671.7 Ų71.720%0.233%0.333CS..EExtended strand (participates in β ladder)trans-115.2112.4170.2-176.3168.5173.3158.90110.1E449 I450 L451 Q481 C483E449-K461 WeakPolarHBondContact OE1-CE 3.39Å; E449-K461 IonicContact OE1-NZ 2.74Å; E449-K461 PolarHBondContact OE1-NZ 3.46Å; E449-K461 WeakPolarHBondContact OE2-CE 3.48Å; E449-K461 IonicContact OE2-NZ 2.75Å; E449-K461 PolarHBondContact OE2-NZ 3.05Å; I450-K461 CarbonylContact O-C 3.28Å; I450-K461 WeakPolarHBondContact O-CA 3.31Å; L451-K461 HydrophobicContact CD2-CB 4.21Å; L451-K461 HydrophobicContact CD2-CG 4.17Å; K461-Q481 CarbonylContact C-O 3.41Å; K461-Q481 PolarHBondContact N-O 3.33Å; K461-Q481 PolarHBondContact O-N 2.84Å; K461-C483 HydrophobicContact CB-CB 3.96Å
462G79.4Confident69.2Low0 Ų076.3 Ų76.30%037%0.368CS..EExtended strand (participates in β ladder)trans-75.7135.3174.700000111.6I450I450-G462 PolarHBondContact O-N 2.8Å
463K76.3Confident67.6Low91 Ų9181.8 Ų81.840%0.39639%0.393SS..EExtended strand (participates in β ladder)trans-123.4142.9169.2-74.4178.7179.7167.40110.1F465 R479K463-F465 HydrophobicContact CB-CE2 3.87Å; K463-R479 PolarHBondContact N-O 3Å; K463-R479 PolarHBondContact O-N 3.25Å
464W75.1Confident66.2Low47 Ų4787.9 Ų87.918%0.17842%0.42CS..EExtended strand (participates in β ladder)trans-82.7136.1179.2-60.7108000112.3C407 C419 R421 I450 M478C407-W464 HydrophobicContact CB-CZ2 4.22Å; C407-W464 WeakPolarHBondContact SG-CZ2 3.48Å; C419-W464 WeakPolarHBondContact SG-CH2 3.46Å; R421-W464 HydrophobicContact CB-CH2 4.23Å; R421-W464 HydrophobicContact CB-CZ3 4.32Å; R421-W464 HydrophobicContact CG-CH2 4.36Å; I450-W464 HydrophobicContact CD1-CH2 3.73Å; I450-W464 HydrophobicContact CD1-CZ2 3.32Å; I450-W464 HydrophobicContact CG1-CZ2 4.18Å; W464-M478 HydrophobicContact CE3-CB 4.37Å; W464-M478 HydrophobicContact CE3-CE 4.43Å; W464-M478 HydrophobicContact CE3-CG 4.24Å; W464-M478 HydrophobicContact CH2-CE 3.53Å; W464-M478 HydrophobicContact CZ2-CE 4.32Å; W464-M478 HydrophobicContact CZ3-CB 4.27Å; W464-M478 HydrophobicContact CZ3-CE 3.56Å; W464-M478 HydrophobicContact CZ3-CG 4.23Å
465F68.9Low65.1Low92 Ų9292.6 Ų92.640%0.40444%0.44SS..EExtended strand (participates in β ladder)trans-128.7130.3171.7-71.9-95.7000110.5K463 F477 R479K463-F465 HydrophobicContact CB-CE2 3.87Å; F465-F477 PolarHBondContact N-O 3.32Å; F465-F477 VanDerWaalsContact N-O 3.08Å; F465-F477 PolarHBondContact O-N 3.38Å; F465-F477 VanDerWaalsContact O-N 3.08Å; F465-R479 HydrophobicContact CD2-CB 3.51Å; F465-R479 HydrophobicContact CD2-CG 3.73Å; F465-R479 HydrophobicContact CE2-CB 3.62Å; F465-R479 HydrophobicContact CE2-CG 4.16Å; F465-R479 HydrophobicContact CG-CG 4.29Å
466E65Low64.5Low101 Ų10186.9 Ų86.947%0.47242%0.416SS..EExtended strand (participates in β ladder)trans-102.2118.2171.5-65.5-172-179.700108.5K405K405-E466 IonicContact NZ-OE1 2.77Å; K405-E466 PolarHBondContact NZ-OE1 3.37Å
467D55.8Low64.2Low69 Ų6983.3 Ų83.337%0.36940%0.395SS..EExtended strand (participates in β ladder)trans-89.2118.6174.6-167.14.7000109.2R469 F477D467-R469 VanDerWaalsContact C-N 3.3Å; D467-R469 PolarHBondContact O-N 3.15Å; D467-R469 VanDerWaalsContact O-N 3.16Å; D467-R469 WeakPolarHBondContact OD2-CG 3.2Å; D467-R469 IonicContact OD2-NE 3.33Å; D467-R469 PolarHBondContact OD2-NE 3.06Å; D467-F477 HydrophobicContact CB-CD2 4.2Å; D467-F477 HydrophobicContact CB-CE2 4.12Å
468K54Low63.8Low180 Ų18083.2 Ų83.278%0.78339%0.393SS*.  trans-8473.2171.8-70.5-174.1-177.9178.40108.7
469R50.7Low63.3Low175 Ų17588.2 Ų88.266%0.6641%0.41SS*.  trans-69.5137.8169.7-74-171.2-178.8-164.3-4.3110.4D467 N471D467-R469 VanDerWaalsContact C-N 3.3Å; D467-R469 PolarHBondContact O-N 3.15Å; D467-R469 VanDerWaalsContact O-N 3.16Å; D467-R469 WeakPolarHBondContact OD2-CG 3.2Å; D467-R469 IonicContact OD2-NE 3.33Å; D467-R469 PolarHBondContact OD2-NE 3.06Å; R469-N471 PolarHBondContact O-N 3.37Å
470K44.7Very low62.4Low213 Ų21388.4 Ų88.493%0.92641%0.407SS*.SBendtrans-64.2-3-173.6-88.3-176.6174-179.10116.3
471N43Very low61.5Low141 Ų14192 Ų9275%0.75442%0.424SS*.SBendtrans-124.1103.8175.1-80.4-7.4000110.9R469 E473R469-N471 PolarHBondContact O-N 3.37Å; N471-E473 VanDerWaalsContact C-N 3.29Å; N471-E473 PolarHBondContact O-N 2.86Å
472S49.7Very low60.3Low129 Ų12991.3 Ų91.390%0.90242%0.422SS*.SBendtrans42.1-4.4155.756.40000123.7
473E54.3Low59Low116 Ų11693 Ų9354%0.54243%0.433SS..  trans-131.3109.1172-70.4-165.8151.400112.9N471 K475N471-E473 VanDerWaalsContact C-N 3.29Å; N471-E473 PolarHBondContact O-N 2.86Å; E473-K475 PolarHBondContact O-N 3.14Å
474K57.1Low57.6Low129 Ų12990.6 Ų90.656%0.56143%0.425SS*.  trans-65.2114.1167-68-177.8-177.91770108.9
475K58.7Low56.3Low101 Ų10191.9 Ų91.944%0.43943%0.433SS..EExtended strand (participates in β ladder)trans-99.9124.4170.8-69.8-179-179.7175.60108.7E473 F477E473-K475 PolarHBondContact O-N 3.14Å; K475-F477 HydrophobicContact CB-CD2 4.44Å; K475-F477 HydrophobicContact CB-CE2 3.65Å; K475-F477 HydrophobicContact CB-CZ 3.92Å; K475-F477 WeakPolarHBondContact O-CD2 3.37Å
476A61.4Low55.1Low12 Ų1294.8 Ų94.810%0.09945%0.447CS..EExtended strand (participates in β ladder)trans-85.7130.7173.100000109.8I423I423-A476 HydrophobicContact CD1-CB 3.44Å; I423-A476 VanDerWaalsContact CD1-CB 3.44Å; I423-A476 HydrophobicContact CG1-CB 4.09Å
477F66.1Low54.3Low46 Ų4691.9 Ų91.920%0.20244%0.435CS..EExtended strand (participates in β ladder)trans-117.4147.9174.7-62.7-87.4000109.4R431 A433 F465 D467 K475R431-F477 HydrophobicContact CB-CD1 3.99Å; R431-F477 HydrophobicContact CB-CE1 4.19Å; A433-F477 HydrophobicContact CB-CB 4.48Å; F465-F477 PolarHBondContact N-O 3.32Å; F465-F477 VanDerWaalsContact N-O 3.08Å; F465-F477 PolarHBondContact O-N 3.38Å; F465-F477 VanDerWaalsContact O-N 3.08Å; D467-F477 HydrophobicContact CB-CD2 4.2Å; D467-F477 HydrophobicContact CB-CE2 4.12Å; K475-F477 HydrophobicContact CB-CD2 4.44Å; K475-F477 HydrophobicContact CB-CE2 3.65Å; K475-F477 HydrophobicContact CB-CZ 3.92Å; K475-F477 WeakPolarHBondContact O-CD2 3.37Å
478M63.2Low53.9Low1 Ų191 Ų911%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-102.4119.7168.6-162.3-173.5-55.200107.9L409 C419 R431 A433 I450 F452 W464 F480L409-M478 HydrophobicContact CD2-CE 4.19Å; C419-M478 HydrophobicContact CB-CE 3.55Å; C419-M478 WeakPolarHBondContact SG-CE 3.2Å; R431-M478 PolarHBondContact O-N 3.4Å; R431-M478 VanDerWaalsContact O-N 3.08Å; A433-M478 WeakPolarHBondContact CB-O 3.28Å; A433-M478 PolarHBondContact N-O 2.92Å; I450-M478 HydrophobicContact CD1-CE 3.36Å; I450-M478 HydrophobicContact CD1-SD 3.52Å; I450-M478 VanDerWaalsContact CD1-SD 3.52Å; F452-M478 HydrophobicContact CE2-SD 4.43Å; F452-M478 HydrophobicContact CZ-SD 3.91Å; W464-M478 HydrophobicContact CE3-CB 4.37Å; W464-M478 HydrophobicContact CE3-CE 4.43Å; W464-M478 HydrophobicContact CE3-CG 4.24Å; W464-M478 HydrophobicContact CH2-CE 3.53Å; W464-M478 HydrophobicContact CZ2-CE 4.32Å; W464-M478 HydrophobicContact CZ3-CB 4.27Å; W464-M478 HydrophobicContact CZ3-CE 3.56Å; W464-M478 HydrophobicContact CZ3-CG 4.23Å; M478-F480 HydrophobicContact CB-CE2 4.03Å; M478-F480 HydrophobicContact CB-CZ 4.29Å; M478-F480 HydrophobicContact CG-CE2 3.87Å; M478-F480 HydrophobicContact CG-CZ 3.77Å; M478-F480 HydrophobicContact SD-CE1 3.87Å; M478-F480 HydrophobicContact SD-CE2 3.9Å; M478-F480 HydrophobicContact SD-CZ 3.19Å; M478-F480 WeakPolarHBondContact SD-CZ 3.3Å
479R65.4Low53.9Low141 Ų14183.4 Ų83.453%0.53240%0.395SS..EExtended strand (participates in β ladder)trans-101.8147.6169-71.7-178.3173.8-178.7-1.5108.9A433 K463 F465A433-R479 HydrophobicContact CB-CG 3.62Å; K463-R479 PolarHBondContact N-O 3Å; K463-R479 PolarHBondContact O-N 3.25Å; F465-R479 HydrophobicContact CD2-CB 3.51Å; F465-R479 HydrophobicContact CD2-CG 3.73Å; F465-R479 HydrophobicContact CE2-CB 3.62Å; F465-R479 HydrophobicContact CE2-CG 4.16Å; F465-R479 HydrophobicContact CG-CG 4.29Å
480F60.1Low54Low20 Ų2078.1 Ų78.19%0.08838%0.377CS..EExtended strand (participates in β ladder)trans-107.8128.8-179.1-65.6-98000107.6W432 Y434 F452 F460 M478W432-F480 AromaticContact CD2-CE2 3.9Å; W432-F480 HydrophobicContact CD2-CE2 3.9Å; W432-F480 AromaticContact CD2-CZ 3.91Å; W432-F480 HydrophobicContact CD2-CZ 3.91Å; W432-F480 HydrophobicContact CE3-CD2 4Å; W432-F480 AromaticContact CE3-CE1 3.83Å; W432-F480 HydrophobicContact CE3-CE1 3.83Å; W432-F480 AromaticContact CE3-CE2 3.13Å; W432-F480 HydrophobicContact CE3-CE2 3.13Å; W432-F480 AromaticContact CE3-CZ 3.05Å; W432-F480 HydrophobicContact CE3-CZ 3.05Å; W432-F480 AromaticContact CH2-CE1 3.85Å; W432-F480 HydrophobicContact CH2-CE1 3.85Å; W432-F480 HydrophobicContact CH2-CE2 4.38Å; W432-F480 AromaticContact CH2-CZ 3.46Å; W432-F480 HydrophobicContact CH2-CZ 3.46Å; W432-F480 VanDerWaalsContact CH2-CZ 3.46Å; W432-F480 HydrophobicContact CZ2-CZ 4.23Å; W432-F480 HydrophobicContact CZ3-CD1 4.2Å; W432-F480 HydrophobicContact CZ3-CD2 4.35Å; W432-F480 AromaticContact CZ3-CE1 3.22Å; W432-F480 HydrophobicContact CZ3-CE1 3.22Å; W432-F480 AromaticContact CZ3-CE2 3.49Å; W432-F480 HydrophobicContact CZ3-CE2 3.49Å; W432-F480 VanDerWaalsContact CZ3-CE2 3.49Å; W432-F480 AromaticContact CZ3-CZ 2.84Å; W432-F480 HydrophobicContact CZ3-CZ 2.84Å; Y434-F480 HydrophobicContact CD2-CB 4.17Å; Y434-F480 HydrophobicContact CG-CB 4.39Å; F452-F480 HydrophobicContact CD2-CD1 4.1Å; F452-F480 AromaticContact CD2-CE1 3.7Å; F452-F480 HydrophobicContact CD2-CE1 3.7Å; F452-F480 HydrophobicContact CE1-CE1 4.14Å; F452-F480 AromaticContact CE2-CD1 3.9Å; F452-F480 HydrophobicContact CE2-CD1 3.9Å; F452-F480 AromaticContact CE2-CE1 3.2Å; F452-F480 HydrophobicContact CE2-CE1 3.2Å; F452-F480 HydrophobicContact CE2-CZ 4.14Å; F452-F480 HydrophobicContact CG-CE1 4.37Å; F452-F480 AromaticContact CZ-CE1 3.43Å; F452-F480 HydrophobicContact CZ-CE1 3.43Å; F452-F480 VanDerWaalsContact CZ-CE1 3.43Å; F452-F480 AromaticContact CZ-CZ 3.97Å; F452-F480 HydrophobicContact CZ-CZ 3.97Å; F460-F480 HydrophobicContact CB-CD1 4.48Å; F460-F480 HydrophobicContact CD1-CB 4.47Å; M478-F480 HydrophobicContact CB-CE2 4.03Å; M478-F480 HydrophobicContact CB-CZ 4.29Å; M478-F480 HydrophobicContact CG-CE2 3.87Å; M478-F480 HydrophobicContact CG-CZ 3.77Å; M478-F480 HydrophobicContact SD-CE1 3.87Å; M478-F480 HydrophobicContact SD-CE2 3.9Å; M478-F480 HydrophobicContact SD-CZ 3.19Å; M478-F480 WeakPolarHBondContact SD-CZ 3.3Å
481Q60.7Low54.6Low83 Ų8373.3 Ų73.339%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-102122.1161.7-172.4172.6-3.300105.9K461 C483K461-Q481 CarbonylContact C-O 3.41Å; K461-Q481 PolarHBondContact N-O 3.33Å; K461-Q481 PolarHBondContact O-N 2.84Å; Q481-C483 PolarHBondContact O-N 3.24Å
482L55.5Low55.7Low30 Ų3067.3 Ų67.316%0.15733%0.329CS..EExtended strand (participates in β ladder)trans-64.6122.6170.4-171.370.7000107.2D124 F460 L484D124-L482 HydrophobicContact CB-CD2 4.29Å; D124-L482 VanDerWaalsContact CG-CD2 3.42Å; D124-L482 WeakPolarHBondContact OD1-CD2 3.32Å; F460-L482 HydrophobicContact CD1-CB 4.47Å; F460-L482 HydrophobicContact CD1-CD1 3.54Å; F460-L482 HydrophobicContact CD2-CD1 4.09Å; F460-L482 HydrophobicContact CE1-CB 4.42Å; F460-L482 HydrophobicContact CE1-CD1 3.24Å; F460-L482 HydrophobicContact CE1-CG 4.37Å; F460-L482 HydrophobicContact CE2-CD1 3.78Å; F460-L482 HydrophobicContact CG-CD1 3.96Å; F460-L482 HydrophobicContact CZ-CD1 3.35Å; L482-L484 HydrophobicContact CD2-CD1 3.37Å; L482-L484 HydrophobicContact CD2-CG 3.91Å; L482-L484 HydrophobicContact CG-CD1 4.07Å; L482-L484 HydrophobicContact CG-CG 4.07Å
483C53.6Low56.2Low36 Ų3662.4 Ų62.424%0.24330%0.297CS..  trans-112.675.4173.1-88.10000106.4G459 K461 Q481 H485G459-C483 CarbonylContact O-C 3.51Å; G459-C483 PolarHBondContact O-N 3.46Å; K461-C483 HydrophobicContact CB-CB 3.96Å; Q481-C483 PolarHBondContact O-N 3.24Å; C483-H485 VanDerWaalsContact C-N 3.31Å; C483-H485 PolarHBondContact O-N 3Å; C483-H485 PolarHBondContact O-ND1 3.27Å; C483-H485 VanDerWaalsContact O-ND1 3.12Å
484L46.3Very low56.6Low41 Ų4158.1 Ų58.122%0.21528%0.28CS..  trans-63.194.7172.2-102157.9000108.9M127 L482M127-L484 HydrophobicContact CB-CD1 4.45Å; M127-L484 HydrophobicContact CB-CD2 4.39Å; M127-L484 HydrophobicContact CE-CD2 3.59Å; M127-L484 HydrophobicContact CG-CD1 3.63Å; M127-L484 HydrophobicContact CG-CD2 3.52Å; M127-L484 HydrophobicContact CG-CG 4.23Å; M127-L484 HydrophobicContact SD-CD2 3.86Å; L482-L484 HydrophobicContact CD2-CD1 3.37Å; L482-L484 HydrophobicContact CD2-CG 3.91Å; L482-L484 HydrophobicContact CG-CD1 4.07Å; L482-L484 HydrophobicContact CG-CG 4.07Å
485H46.9Very low56.3Low74 Ų7456.1 Ų56.134%0.34328%0.282SS..  trans-85.3142.6157.7-66.668000105.6P166 C483 L487P166-H485 VanDerWaalsContact CD-CD2 3.42Å; P166-H485 WeakPolarHBondContact CD-CD2 3.3Å; P166-H485 HydrophobicContact CG-CB 4.24Å; C483-H485 VanDerWaalsContact C-N 3.31Å; C483-H485 PolarHBondContact O-N 3Å; C483-H485 PolarHBondContact O-ND1 3.27Å; C483-H485 VanDerWaalsContact O-ND1 3.12Å; H485-L487 HydrophobicContact CB-CD1 4.41Å; H485-L487 PolarHBondContact O-N 3.43Å
486H44.2Very low56.2Low153 Ų15353.9 Ų53.971%0.70827%0.274SS*.SBendtrans-62.211177.5-66.9-69.9000114.3
487L47.9Very low55.9Low40 Ų4056.1 Ų56.121%0.20928%0.283CS..SBendtrans-111.2125.4-179.8-65.9106.6000109.7Y145 P166 H485Y145-L487 HydrophobicContact CD1-CD2 3.24Å; Y145-L487 HydrophobicContact CD2-CD2 4.46Å; Y145-L487 HydrophobicContact CE1-CD2 3.26Å; Y145-L487 HydrophobicContact CE2-CD2 4.48Å; Y145-L487 HydrophobicContact CG-CD2 3.89Å; P166-L487 HydrophobicContact CB-CB 4.26Å; P166-L487 HydrophobicContact CB-CD1 3.48Å; P166-L487 VanDerWaalsContact CB-CD1 3.48Å; P166-L487 HydrophobicContact CB-CD2 3.78Å; P166-L487 HydrophobicContact CB-CG 3.98Å; P166-L487 HydrophobicContact CG-CB 4.35Å; P166-L487 HydrophobicContact CG-CD1 3.62Å; P166-L487 HydrophobicContact CG-CG 4.38Å; H485-L487 HydrophobicContact CB-CD1 4.41Å; H485-L487 PolarHBondContact O-N 3.43Å
488F47.2Very low55.3Low49 Ų4956.7 Ų56.722%0.21529%0.288CS..  trans-83.8114.6170.8-63.8-81.9000108.3M127 R130 V134 F136 D456 G457M127-F488 HydrophobicContact CE-CZ 4.44Å; R130-F488 VanDerWaalsContact CZ-CE2 3.45Å; V134-F488 HydrophobicContact CG2-CD2 4.31Å; V134-F488 HydrophobicContact CG2-CE2 4.01Å; F136-F488 HydrophobicContact CE1-CB 3.68Å; F136-F488 HydrophobicContact CE2-CB 3.79Å; F136-F488 HydrophobicContact CE2-CD1 4.43Å; F136-F488 HydrophobicContact CE2-CG 4.06Å; F136-F488 HydrophobicContact CZ-CB 3.03Å; F136-F488 HydrophobicContact CZ-CD1 4.29Å; F136-F488 AromaticContact CZ-CD2 3.8Å; F136-F488 HydrophobicContact CZ-CD2 3.8Å; F136-F488 AromaticContact CZ-CG 3.5Å; F136-F488 HydrophobicContact CZ-CG 3.5Å; D456-F488 VanDerWaalsContact O-CD1 3.24Å; D456-F488 WeakPolarHBondContact O-CD1 3.5Å; D456-F488 VanDerWaalsContact O-CE1 3.29Å; D456-F488 WeakPolarHBondContact O-CE1 3.45Å; G457-F488 WeakPolarHBondContact O-CA 3.46Å; G457-F488 WeakPolarHBondContact O-CD1 3.37Å
489L54.9Low54.9Low21 Ų2159.9 Ų59.911%0.1130%0.304CS..  trans-96.6156.6179.9-63.1167.9000108.4W147 V453 L492W147-L489 HydrophobicContact CH2-CD1 3.51Å; W147-L489 HydrophobicContact CH2-CD2 4.19Å; W147-L489 HydrophobicContact CZ2-CD1 4.13Å; W147-L489 HydrophobicContact CZ3-CD1 4.26Å; W147-L489 HydrophobicContact CZ3-CD2 4.14Å; V453-L489 HydrophobicContact CG1-CB 4.27Å; V453-L489 WeakPolarHBondContact CG1-O 3.33Å; V453-L489 HydrophobicContact CG2-CB 3.76Å; L489-L492 HydrophobicContact CB-CD2 4.36Å; L489-L492 HydrophobicContact CD1-CD2 3.87Å
490K52.3Low54.2Low64 Ų6454.9 Ų54.928%0.27829%0.29SS..SBendtrans-121.9-41.4173.6-89.8-170.3159.8-177.80111.9F136 D138 D442F136-K490 HydrophobicContact CB-CD 3.9Å; F136-K490 HydrophobicContact CG-CD 4.31Å; F136-K490 PolarHBondContact O-NZ 3.06Å; D138-K490 IonicContact OD1-NZ 3.57Å; D138-K490 PolarHBondContact OD1-NZ 3.35Å; D442-K490 WeakPolarHBondContact CB-O 3.45Å
491N57.7Low53.8Low112 Ų11257.2 Ų57.260%0.59930%0.304SS*.SBendtrans-118.7142.9176.3-64.2-51.7000109D442D442-N491 WeakPolarHBondContact OD2-CA 3.32Å
492L66.5Low53.3Low16 Ų1655.4 Ų55.48%0.08430%0.298CS..  trans-118.7138.2177.4-66.7173.3000110.9D442 A444 L451 V453 L489D442-L492 PolarHBondContact OD2-N 3.41Å; A444-L492 HydrophobicContact CB-CB 3.44Å; A444-L492 VanDerWaalsContact CB-CB 3.44Å; A444-L492 HydrophobicContact CB-CD1 4.25Å; L451-L492 VanDerWaalsContact C-CD1 3.44Å; L451-L492 HydrophobicContact CB-CD1 3.52Å; L451-L492 HydrophobicContact CB-CD2 4.46Å; L451-L492 WeakPolarHBondContact O-CD1 3.32Å; V453-L492 HydrophobicContact CG2-CD1 3.55Å; V453-L492 HydrophobicContact CG2-CD2 3.7Å; V453-L492 HydrophobicContact CG2-CG 3.54Å; L489-L492 HydrophobicContact CB-CD2 4.36Å; L489-L492 HydrophobicContact CD1-CD2 3.87Å
493A59.3Low53.2Low26 Ų2657.3 Ų57.322%0.21531%0.308CS..  trans-129.4146.1164.700000108.4V182 L184V182-A493 HydrophobicContact CB-CB 4.21Å; V182-A493 HydrophobicContact CG1-CB 4.14Å; V182-A493 WeakPolarHBondContact O-CB 3.24Å; L184-A493 HydrophobicContact CB-CB 4.47Å; L184-A493 HydrophobicContact CD1-CB 4.2Å; L184-A493 HydrophobicContact CG-CB 3.9Å
494S64.3Low53.1Low26 Ų2659.1 Ų59.118%0.18231%0.314CS..  trans-146.5136.6177.961.80000110.3L445 N446L445-S494 PolarHBondContact N-OG 2.48Å; L445-S494 PolarHBondContact O-OG 2.89Å; L445-S494 VanDerWaalsContact O-OG 3.13Å; N446-S494 PolarHBondContact N-OG 3.04Å
495S49.9Very low53.7Low87 Ų8760.7 Ų60.761%0.60832%0.323SS*.  trans-88.20174.463.40000113.3N446N446-S495 VanDerWaalsContact CB-O 3.28Å; N446-S495 WeakPolarHBondContact CB-O 3.31Å

Retrieved 495 of 495 residues in 140.5 ms (Link to these results)

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