A0A077ZIK8_TRITR Loading...

BBS1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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
1M84.2Confident92.4Very high137 Ų13735 Ų3568%0.67520%0.197SC*.  01390179.7-170.8-69.600107.7D24 I25M1-D24 PolarHBondContact N-OD1 3.37Å; M1-I25 PolarHBondContact N-O 3.13Å; M1-I25 VanDerWaalsContact O-CB 3.29Å; M1-I25 WeakPolarHBondContact O-CB 3.49Å; M1-I25 PolarHBondContact O-N 3.32Å
2T87.9Confident92Very high17 Ų1733 Ų3310%0.10419%0.186CC..  trans-126.3131.4-179.6-65.20000109.7V7 V22 C23 A345T2-V7 HydrophobicContact CG2-CG2 3.27Å; T2-V22 HydrophobicContact CG2-CG1 3.75Å; T2-V22 WeakPolarHBondContact OG1-CG1 3.35Å; T2-C23 WeakPolarHBondContact CB-O 3.48Å; T2-C23 PolarHBondContact OG1-O 2.93Å; T2-A345 HydrophobicContact CG2-CB 4.08Å
3T92.1Very high91.4Very high51 Ų5137.1 Ų37.131%0.31321%0.207SC..  trans-94.6161.117461.30000110.5S5 G6 I25T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 2.92Å; T3-S5 PolarHBondContact OG1-OG 2.91Å; T3-G6 PolarHBondContact O-N 3.05Å; T3-G6 PolarHBondContact OG1-N 2.82Å; T3-I25 HydrophobicContact CG2-CD1 4.4Å
4N94Very high90.7Very high51 Ų5137.9 Ų37.927%0.27323%0.227SC..G310 helixtrans-61.9-32.5178-161.662.6000113.5G6 A302 M303 A345 L346N4-G6 PolarHBondContact O-N 2.84Å; N4-A302 HydrophobicContact CB-CB 4.08Å; N4-M303 PolarHBondContact ND2-O 2.81Å; N4-A345 HydrophobicContact CB-CB 4.42Å; N4-L346 PolarHBondContact OD1-N 3.12Å; N4-L346 PolarHBondContact OD1-O 2.87Å; N4-L346 VanDerWaalsContact OD1-O 3.06Å
5S94.2Very high90.3Very high53 Ų5341.3 Ų41.337%0.37124%0.244SC..G310 helixtrans-72.1-17173.757.10000113.6T3 S53 A54 V55T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 2.92Å; T3-S5 PolarHBondContact OG1-OG 2.91Å; S5-S53 PolarHBondContact OG-O 2.93Å; S5-A54 CarbonylContact O-C 3.47Å; S5-A54 WeakPolarHBondContact O-CA 3.44Å; S5-V55 PolarHBondContact O-N 3.45Å
6G94.6Very high90Very high0 Ų040.8 Ų40.80%025%0.25CC..G310 helixtrans-89.26.8179.700000114.5T3 N4 C23T3-G6 PolarHBondContact O-N 3.05Å; T3-G6 PolarHBondContact OG1-N 2.82Å; N4-G6 PolarHBondContact O-N 2.84Å; G6-C23 WeakPolarHBondContact O-CB 3.37Å; G6-C23 PolarHBondContact O-N 3.16Å; G6-C23 PolarHBondContact O-SG 3.27Å; G6-C23 VanDerWaalsContact O-SG 3.42Å
7V95.2Very high90.1Very high15 Ų1540.9 Ų40.99%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-124.1131-178-176.70000110.7T2 L20 V21 V22 A345T2-V7 HydrophobicContact CG2-CG2 3.27Å; V7-L20 HydrophobicContact CG1-CD1 3.61Å; V7-V21 WeakPolarHBondContact CA-O 3.36Å; V7-V22 HydrophobicContact CG2-CG1 4.49Å; V7-A345 HydrophobicContact CB-CB 4.44Å; V7-A345 HydrophobicContact CG2-CB 3.63Å
8T95.3Very high90.3Very high24 Ų2443.3 Ų43.315%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-149.2160.8174.1-1640000112.1V21 V55 L70T8-V21 HydrophobicContact CG2-CB 3.97Å; T8-V21 HydrophobicContact CG2-CG2 4.36Å; T8-V21 PolarHBondContact N-O 3.2Å; T8-V21 VanDerWaalsContact N-O 3.1Å; T8-V21 PolarHBondContact O-N 3.24Å; T8-V55 HydrophobicContact CG2-CB 4.33Å; T8-V55 HydrophobicContact CG2-CG2 3.83Å; T8-L70 HydrophobicContact CG2-CD1 3.77Å
9L94.8Very high90.5Very high18 Ų1841.7 Ų41.79%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-108.4130.9174.5-69.5166.2000108.4W18 K19 L20 S57 F351 V359L9-W18 HydrophobicContact CB-CE3 4.2Å; L9-K19 WeakPolarHBondContact CA-O 3.43Å; L9-L20 HydrophobicContact CD2-CB 4.21Å; L9-L20 HydrophobicContact CD2-CD1 3.99Å; L9-S57 WeakPolarHBondContact O-CB 3.42Å; L9-F351 HydrophobicContact CD2-CB 4.2Å; L9-F351 HydrophobicContact CD2-CD2 3.86Å; L9-F351 HydrophobicContact CD2-CG 4.48Å; L9-V359 HydrophobicContact CD2-CG2 4.23Å
10I93.4Very high90.7Very high0 Ų039.7 Ų39.70%023%0.231CC..EExtended strand (participates in β ladder)trans-143.5134.8-177.6-174.6166.2000111L12 K19 V21 S57 P68 L70I10-L12 HydrophobicContact CD1-CD2 4.01Å; I10-L12 HydrophobicContact CG1-CD2 4.2Å; I10-L12 HydrophobicContact CG2-CD2 3.79Å; I10-L12 HydrophobicContact CG2-CG 3.97Å; I10-L12 PolarHBondContact O-N 3.17Å; I10-K19 PolarHBondContact N-O 3.45Å; I10-K19 PolarHBondContact O-N 2.87Å; I10-V21 HydrophobicContact CG2-CG2 3.54Å; I10-S57 WeakPolarHBondContact CB-OG 3.38Å; I10-S57 WeakPolarHBondContact CG1-OG 3.34Å; I10-P68 HydrophobicContact CD1-CB 4.4Å; I10-P68 HydrophobicContact CG1-CB 4.13Å; I10-L70 HydrophobicContact CD1-CB 3.97Å
11D91.1Very high91Very high19 Ų1937.8 Ų37.810%0.10222%0.22CC..  trans-84.276.3170.2179.18.7000109.7N13 G14 N15 G16 W18 P68D11-N13 PolarHBondContact O-N 3.13Å; D11-G14 PolarHBondContact O-N 3.24Å; D11-G14 PolarHBondContact OD1-N 3.05Å; D11-G14 VanDerWaalsContact OD1-N 3.14Å; D11-G14 VanDerWaalsContact OD2-CA 3.23Å; D11-G14 WeakPolarHBondContact OD2-CA 3.39Å; D11-N15 PolarHBondContact OD1-N 3.12Å; D11-N15 VanDerWaalsContact OD1-N 3.16Å; D11-N15 PolarHBondContact OD1-OD1 3.2Å; D11-N15 PolarHBondContact OD2-N 3.37Å; D11-G16 PolarHBondContact OD1-N 3.34Å; D11-G16 VanDerWaalsContact OD2-CA 3.31Å; D11-G16 WeakPolarHBondContact OD2-CA 3.47Å; D11-G16 PolarHBondContact OD2-N 3.42Å; D11-W18 HydrophobicContact CB-CD2 3.87Å; D11-W18 HydrophobicContact CB-CE3 4.24Å; D11-W18 HydrophobicContact CB-CG 4.21Å; D11-W18 HydrophobicContact CB-CZ2 4.19Å; D11-P68 WeakPolarHBondContact O-CB 3.37Å; D11-P68 WeakPolarHBondContact O-CG 3.12Å
12L87.2Confident91.5Very high11 Ų1131.8 Ų31.86%0.05819%0.191CC..THydrogen-bonded Turntrans-49.2-27.4-171.6-72.5179.3000115.7I10 K19 V36 M84I10-L12 HydrophobicContact CD1-CD2 4.01Å; I10-L12 HydrophobicContact CG1-CD2 4.2Å; I10-L12 HydrophobicContact CG2-CD2 3.79Å; I10-L12 HydrophobicContact CG2-CG 3.97Å; I10-L12 PolarHBondContact O-N 3.17Å; L12-K19 HydrophobicContact CB-CD 4.24Å; L12-K19 HydrophobicContact CD1-CD 3.75Å; L12-K19 HydrophobicContact CG-CD 4.15Å; L12-V36 HydrophobicContact CD1-CG1 3.65Å; L12-V36 HydrophobicContact CD1-CG2 4.27Å; L12-M84 HydrophobicContact CD1-CG 3.89Å; L12-M84 HydrophobicContact CD1-SD 4.48Å; L12-M84 HydrophobicContact CD2-CG 4.49Å; L12-M84 HydrophobicContact CD2-SD 4.38Å
13N83.8Confident91.8Very high86 Ų8631.1 Ų31.146%0.4619%0.187SC..THydrogen-bonded Turntrans-108.1-5-173.5-62-4.2000113D11 N15 N83D11-N13 PolarHBondContact O-N 3.13Å; N13-N15 HydrophobicContact CB-CB 4.43Å; N13-N15 PolarHBondContact O-N 3.09Å; N13-N83 PolarHBondContact OD1-OD1 2.53Å
14G82.3Confident91.9Very high48 Ų4830.5 Ų30.550%0.49518%0.182SC..SBendtrans65.321-174.300000114D11D11-G14 PolarHBondContact O-N 3.24Å; D11-G14 PolarHBondContact OD1-N 3.05Å; D11-G14 VanDerWaalsContact OD1-N 3.14Å; D11-G14 VanDerWaalsContact OD2-CA 3.23Å; D11-G14 WeakPolarHBondContact OD2-CA 3.39Å
15N85.1Confident91.9Very high89 Ų8929.1 Ų29.148%0.47617%0.174SC..SBendtrans-103.38.8-175.168.7-15.1000113.1D11 N13 D17D11-N15 PolarHBondContact OD1-N 3.12Å; D11-N15 VanDerWaalsContact OD1-N 3.16Å; D11-N15 PolarHBondContact OD1-OD1 3.2Å; D11-N15 PolarHBondContact OD2-N 3.37Å; N13-N15 HydrophobicContact CB-CB 4.43Å; N13-N15 PolarHBondContact O-N 3.09Å; N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 2.89Å; N15-D17 VanDerWaalsContact OD1-CB 3.29Å; N15-D17 WeakPolarHBondContact OD1-CB 3.46Å; N15-D17 PolarHBondContact OD1-N 3.04Å; N15-D17 VanDerWaalsContact OD1-N 3.13Å
16G85.2Confident91.8Very high33 Ų3328.9 Ų28.934%0.3417%0.167SC..SBendtrans76.59.2-175.900000114.3D11 G352D11-G16 PolarHBondContact OD1-N 3.34Å; D11-G16 VanDerWaalsContact OD2-CA 3.31Å; D11-G16 WeakPolarHBondContact OD2-CA 3.47Å; D11-G16 PolarHBondContact OD2-N 3.42Å; G16-G352 VanDerWaalsContact O-O 3.04Å
17D90.9Very high91.5Very high44 Ų4435 Ų3524%0.23521%0.209CC..  trans-99.784.8175.3179.552.5000110.3N15 K19 G352N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 2.89Å; N15-D17 VanDerWaalsContact OD1-CB 3.29Å; N15-D17 WeakPolarHBondContact OD1-CB 3.46Å; N15-D17 PolarHBondContact OD1-N 3.04Å; N15-D17 VanDerWaalsContact OD1-N 3.13Å; D17-K19 PolarHBondContact O-NZ 3.14Å; D17-K19 IonicContact OD2-NZ 3.56Å; D17-K19 PolarHBondContact OD2-NZ 3.46Å; D17-G352 WeakPolarHBondContact OD1-CA 3.4Å
18W93.3Very high91.2Very high84 Ų8438.4 Ų38.432%0.31823%0.227SC..BIsolated β-bridgetrans-69.1133.4-175.2-70.377.1000111.7L9 D11 C350 G352L9-W18 HydrophobicContact CB-CE3 4.2Å; D11-W18 HydrophobicContact CB-CD2 3.87Å; D11-W18 HydrophobicContact CB-CE3 4.24Å; D11-W18 HydrophobicContact CB-CG 4.21Å; D11-W18 HydrophobicContact CB-CZ2 4.19Å; W18-C350 HydrophobicContact CB-CB 4.19Å; W18-C350 WeakPolarHBondContact CB-O 3.43Å; W18-C350 VanDerWaalsContact CD1-CB 3.48Å; W18-C350 HydrophobicContact CD2-CB 3.89Å; W18-C350 HydrophobicContact CG-CB 3.58Å; W18-G352 PolarHBondContact N-O 3.06Å; W18-G352 WeakPolarHBondContact O-CA 2.93Å; W18-G352 PolarHBondContact O-N 2.96Å
19K94.6Very high90.8Very high12 Ų1242.3 Ų42.35%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-113.7153-179.4-65168.9-178.465.20109.4L9 I10 L12 D17 V36 T38 I43L9-K19 WeakPolarHBondContact CA-O 3.43Å; I10-K19 PolarHBondContact N-O 3.45Å; I10-K19 PolarHBondContact O-N 2.87Å; L12-K19 HydrophobicContact CB-CD 4.24Å; L12-K19 HydrophobicContact CD1-CD 3.75Å; L12-K19 HydrophobicContact CG-CD 4.15Å; D17-K19 PolarHBondContact O-NZ 3.14Å; D17-K19 IonicContact OD2-NZ 3.56Å; D17-K19 PolarHBondContact OD2-NZ 3.46Å; K19-V36 HydrophobicContact CB-CG1 3.79Å; K19-V36 HydrophobicContact CD-CG1 4.01Å; K19-V36 HydrophobicContact CG-CG1 4.37Å; K19-T38 HydrophobicContact CD-CG2 4.41Å; K19-T38 HydrophobicContact CG-CG2 3.87Å; K19-I43 HydrophobicContact CD-CD1 4.14Å
20L95.4Very high90.6Very high2 Ų246.7 Ų46.71%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-94.1129176174.668.9000108.6V7 L9 V22 V36 C37 F351 V359 V367V7-L20 HydrophobicContact CG1-CD1 3.61Å; L9-L20 HydrophobicContact CD2-CB 4.21Å; L9-L20 HydrophobicContact CD2-CD1 3.99Å; L20-V22 HydrophobicContact CD1-CG2 4.25Å; L20-V22 HydrophobicContact CD2-CG2 3.58Å; L20-V22 HydrophobicContact CG-CG2 3.62Å; L20-V36 CarbonylContact O-C 3.42Å; L20-V36 WeakPolarHBondContact O-CA 3.35Å; L20-C37 HydrophobicContact CB-CB 4.24Å; L20-C37 HydrophobicContact CD2-CB 4.39Å; L20-C37 PolarHBondContact N-O 3.34Å; L20-C37 PolarHBondContact O-N 2.68Å; L20-F351 HydrophobicContact CB-CD2 3.97Å; L20-F351 HydrophobicContact CB-CE2 3.51Å; L20-F351 HydrophobicContact CB-CZ 4.48Å; L20-V359 HydrophobicContact CD1-CB 4.43Å; L20-V359 HydrophobicContact CD1-CG1 3.8Å; L20-V359 HydrophobicContact CD1-CG2 4.39Å; L20-V359 HydrophobicContact CD2-CG1 3.59Å; L20-V359 HydrophobicContact CG-CG1 4.32Å; L20-V367 HydrophobicContact CD2-CG1 3.82Å
21V95.6Very high90.5Very high0 Ų047.5 Ų47.50%028%0.277CS..EExtended strand (participates in β ladder)trans-103.5126.8168.8-178.70000108V7 T8 I10 V34 K35 V36 L70V7-V21 WeakPolarHBondContact CA-O 3.36Å; T8-V21 HydrophobicContact CG2-CB 3.97Å; T8-V21 HydrophobicContact CG2-CG2 4.36Å; T8-V21 PolarHBondContact N-O 3.2Å; T8-V21 VanDerWaalsContact N-O 3.1Å; T8-V21 PolarHBondContact O-N 3.24Å; I10-V21 HydrophobicContact CG2-CG2 3.54Å; V21-V34 HydrophobicContact CG1-CG1 3.8Å; V21-K35 WeakPolarHBondContact CA-O 3.29Å; V21-V36 HydrophobicContact CG2-CG2 4.32Å; V21-L70 HydrophobicContact CB-CD1 4.47Å; V21-L70 HydrophobicContact CG1-CD1 4.22Å; V21-L70 HydrophobicContact CG1-CD2 3.9Å; V21-L70 HydrophobicContact CG2-CD1 4.19Å; V21-L70 HydrophobicContact CG2-CD2 4.17Å
22V95.5Very high90.7Very high11 Ų1146.6 Ų46.67%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-125.6121.2177.2-1750000109.1T2 V7 L20 K35T2-V22 HydrophobicContact CG2-CG1 3.75Å; T2-V22 WeakPolarHBondContact OG1-CG1 3.35Å; V7-V22 HydrophobicContact CG2-CG1 4.49Å; L20-V22 HydrophobicContact CD1-CG2 4.25Å; L20-V22 HydrophobicContact CD2-CG2 3.58Å; L20-V22 HydrophobicContact CG-CG2 3.62Å; V22-K35 PolarHBondContact N-O 3.47Å; V22-K35 PolarHBondContact O-N 3.37Å
23C95.1Very high91Very high3 Ų349.1 Ų49.12%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-85.9110.4169-62.10000109.1T2 G6 T32 V52 V55T2-C23 WeakPolarHBondContact CB-O 3.48Å; T2-C23 PolarHBondContact OG1-O 2.93Å; G6-C23 WeakPolarHBondContact O-CB 3.37Å; G6-C23 PolarHBondContact O-N 3.16Å; G6-C23 PolarHBondContact O-SG 3.27Å; G6-C23 VanDerWaalsContact O-SG 3.42Å; C23-T32 HydrophobicContact CB-CG2 3.75Å; C23-V52 HydrophobicContact CB-CG1 4.49Å; C23-V55 WeakPolarHBondContact SG-CG1 3.4Å
24D94.2Very high91.6Very high38 Ų3845 Ų4520%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-101.698177.2-17925.7000110.1M1 Q26 K33 K35M1-D24 PolarHBondContact N-OD1 3.37Å; D24-Q26 PolarHBondContact O-N 3.04Å; D24-Q26 PolarHBondContact O-NE2 2.87Å; D24-Q26 PolarHBondContact OD2-NE2 2.92Å; D24-K33 HydrophobicContact CB-CB 4.42Å; D24-K33 PolarHBondContact N-O 3.08Å; D24-K33 PolarHBondContact O-N 3.4Å; D24-K35 HydrophobicContact CB-CD 4.47Å; D24-K35 IonicContact OD2-NZ 3.17Å; D24-K35 PolarHBondContact OD2-NZ 3.41Å
25I93.3Very high92.1Very high21 Ų2144.7 Ų44.711%0.10825%0.246CC..EExtended strand (participates in β ladder)trans-66.5120.2174.8-59.6169.5000108.1M1 T3 L29 T32 L51M1-I25 PolarHBondContact N-O 3.13Å; M1-I25 VanDerWaalsContact O-CB 3.29Å; M1-I25 WeakPolarHBondContact O-CB 3.49Å; M1-I25 PolarHBondContact O-N 3.32Å; T3-I25 HydrophobicContact CG2-CD1 4.4Å; I25-L29 HydrophobicContact CG2-CD2 3.81Å; I25-T32 HydrophobicContact CG1-CG2 4.17Å; I25-L51 HydrophobicContact CG2-CD2 3.47Å; I25-L51 VanDerWaalsContact CG2-CD2 3.47Å
26Q91.9Very high92.6Very high48 Ų4840.5 Ų40.522%0.22422%0.223CC..  trans-67.3156.7-179.2-60.4-55.4-78.900111D24 D28 L29 A31 K33D24-Q26 PolarHBondContact O-N 3.04Å; D24-Q26 PolarHBondContact O-NE2 2.87Å; D24-Q26 PolarHBondContact OD2-NE2 2.92Å; Q26-D28 WeakPolarHBondContact CB-OD1 3.41Å; Q26-D28 PolarHBondContact O-N 3.45Å; Q26-L29 PolarHBondContact O-N 3.06Å; Q26-A31 WeakPolarHBondContact CB-O 3.35Å; Q26-A31 HydrophobicContact CG-CB 4.38Å; Q26-A31 WeakPolarHBondContact CG-O 3.37Å; Q26-A31 PolarHBondContact N-O 2.91Å; Q26-K33 HydrophobicContact CG-CG 4.35Å
27S88.2Confident93Very high128 Ų12839.9 Ų39.990%0.89521%0.214SC*.THydrogen-bonded Turntrans-63.7-22-174.851.30000114.1L29S27-L29 VanDerWaalsContact C-N 3.28Å
28D88.4Confident93.1Very high88 Ų8839.1 Ų39.147%0.47121%0.211SC..THydrogen-bonded Turntrans-81.9-4.9176.868.6-21.4000113.4Q26 N30Q26-D28 WeakPolarHBondContact CB-OD1 3.41Å; Q26-D28 PolarHBondContact O-N 3.45Å; D28-N30 PolarHBondContact O-N 3.42Å; D28-N30 VanDerWaalsContact O-N 3.14Å; D28-N30 PolarHBondContact O-ND2 3.5Å; D28-N30 PolarHBondContact OD1-N 3.46Å; D28-N30 PolarHBondContact OD2-ND2 3.33Å
29L88.2Confident92.7Very high105 Ų10540.3 Ų40.355%0.5523%0.231SC..SBendtrans57.819.9-179.2-57.6173.5000114.7I25 Q26 S27 L51I25-L29 HydrophobicContact CG2-CD2 3.81Å; Q26-L29 PolarHBondContact O-N 3.06Å; S27-L29 VanDerWaalsContact C-N 3.28Å; L29-L51 WeakPolarHBondContact O-CD2 3.47Å; L29-L51 WeakPolarHBondContact O-CG 3.47Å
30N88.7Confident92.4Very high110 Ų11044.4 Ų44.459%0.58827%0.268SS*.SBendtrans-104.9-18.6-179.2-62.2-41.6000113.3D28 T49 D50D28-N30 PolarHBondContact O-N 3.42Å; D28-N30 VanDerWaalsContact O-N 3.14Å; D28-N30 PolarHBondContact O-ND2 3.5Å; D28-N30 PolarHBondContact OD1-N 3.46Å; D28-N30 PolarHBondContact OD2-ND2 3.33Å; N30-T49 CarbonylContact O-C 3.59Å; N30-D50 PolarHBondContact O-N 2.89Å
31A92.9Very high92.1Very high17 Ų1746 Ų4614%0.1428%0.284CS..  trans-143.1153.1-17700000111.9Q26 T47 I48Q26-A31 WeakPolarHBondContact CB-O 3.35Å; Q26-A31 HydrophobicContact CG-CB 4.38Å; Q26-A31 WeakPolarHBondContact CG-O 3.37Å; Q26-A31 PolarHBondContact N-O 2.91Å; A31-T47 HydrophobicContact CB-CG2 4.24Å; A31-I48 WeakPolarHBondContact CA-O 3.49Å
32T94.6Very high92Very high0 Ų050.7 Ų50.70%031%0.308CS..EExtended strand (participates in β ladder)trans-122.3126.7173.6-49.80000109.8C23 I25 I48 D50 L51 V52C23-T32 HydrophobicContact CB-CG2 3.75Å; I25-T32 HydrophobicContact CG1-CG2 4.17Å; T32-I48 PolarHBondContact N-O 3.42Å; T32-I48 PolarHBondContact O-N 3.37Å; T32-D50 WeakPolarHBondContact CB-O 3.41Å; T32-D50 PolarHBondContact N-O 2.82Å; T32-D50 PolarHBondContact OG1-O 3.43Å; T32-L51 WeakPolarHBondContact OG1-CA 3.25Å; T32-V52 HydrophobicContact CG2-CB 3.99Å; T32-V52 HydrophobicContact CG2-CG2 3.83Å; T32-V52 PolarHBondContact OG1-N 3.16Å; T32-V52 VanDerWaalsContact OG1-N 3.12Å
33K94.5Very high91.7Very high65 Ų6554.7 Ų54.728%0.28333%0.328SS..EExtended strand (participates in β ladder)trans-90.9114.8172.9-73.4-172.8-178.5-179.20109.8D24 Q26 K35 D45D24-K33 HydrophobicContact CB-CB 4.42Å; D24-K33 PolarHBondContact N-O 3.08Å; D24-K33 PolarHBondContact O-N 3.4Å; Q26-K33 HydrophobicContact CG-CG 4.35Å; K33-K35 HydrophobicContact CB-CG 4.48Å; K33-K35 PolarHBondContact O-N 3Å; K33-D45 WeakPolarHBondContact CB-OD1 3.29Å
34V94.6Very high91.5Very high0 Ų056.5 Ų56.50%034%0.34CS..EExtended strand (participates in β ladder)trans-89.8100.6177.2-176.30000108V21 E46 I48 L70 I72 M84V21-V34 HydrophobicContact CG1-CG1 3.8Å; V34-E46 HydrophobicContact CB-CB 4.45Å; V34-E46 PolarHBondContact N-O 2.86Å; V34-E46 PolarHBondContact O-N 3.44Å; V34-I48 HydrophobicContact CG2-CD1 3.66Å; V34-I48 HydrophobicContact CG2-CG1 4.15Å; V34-L70 HydrophobicContact CG1-CD2 4.4Å; V34-I72 HydrophobicContact CG1-CD1 4.05Å; V34-I72 HydrophobicContact CG2-CD1 4.14Å; V34-M84 HydrophobicContact CG1-CE 4.25Å
35K94.6Very high91.4Very high41 Ų4158.1 Ų58.118%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-98.6129-176.6-62.8174.2-171.3169.40110.1V21 V22 D24 K33 I42 T44 D45V21-K35 WeakPolarHBondContact CA-O 3.29Å; V22-K35 PolarHBondContact N-O 3.47Å; V22-K35 PolarHBondContact O-N 3.37Å; D24-K35 HydrophobicContact CB-CD 4.47Å; D24-K35 IonicContact OD2-NZ 3.17Å; D24-K35 PolarHBondContact OD2-NZ 3.41Å; K33-K35 HydrophobicContact CB-CG 4.48Å; K33-K35 PolarHBondContact O-N 3Å; K35-I42 HydrophobicContact CB-CG2 4.26Å; K35-I42 HydrophobicContact CD-CD1 4.06Å; K35-T44 WeakPolarHBondContact CA-O 3.27Å; K35-D45 HydrophobicContact CG-CB 4.45Å
36V94.6Very high91.3Very high1 Ų161.1 Ų61.11%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-100.8119.9169.6-178.20000108.6L12 K19 L20 V21 I42 I43 T44 M84L12-V36 HydrophobicContact CD1-CG1 3.65Å; L12-V36 HydrophobicContact CD1-CG2 4.27Å; K19-V36 HydrophobicContact CB-CG1 3.79Å; K19-V36 HydrophobicContact CD-CG1 4.01Å; K19-V36 HydrophobicContact CG-CG1 4.37Å; L20-V36 CarbonylContact O-C 3.42Å; L20-V36 WeakPolarHBondContact O-CA 3.35Å; V21-V36 HydrophobicContact CG2-CG2 4.32Å; V36-I42 CarbonylContact O-C 3.58Å; V36-I43 PolarHBondContact O-N 3.11Å; V36-T44 VanDerWaalsContact CB-OG1 3.25Å; V36-T44 WeakPolarHBondContact CB-OG1 3.43Å; V36-T44 WeakPolarHBondContact CG2-OG1 3.37Å; V36-T44 PolarHBondContact N-O 2.93Å; V36-M84 HydrophobicContact CG2-CE 3.8Å; V36-M84 HydrophobicContact CG2-CG 3.74Å; V36-M84 HydrophobicContact CG2-SD 3.48Å; V36-M84 WeakPolarHBondContact CG2-SD 3.33Å
37C93.3Very high91.4Very high20 Ų2062.6 Ų62.614%0.13537%0.374CS..EExtended strand (participates in β ladder)trans-114.8143.5-174.1-55.50000111.3L20 G41L20-C37 HydrophobicContact CB-CB 4.24Å; L20-C37 HydrophobicContact CD2-CB 4.39Å; L20-C37 PolarHBondContact N-O 3.34Å; L20-C37 PolarHBondContact O-N 2.68Å; C37-G41 WeakPolarHBondContact CA-O 3.44Å
38T92.6Very high91.5Very high28 Ų2857.1 Ų57.117%0.17233%0.334CS..EExtended strand (participates in β ladder)trans-116178162.152.80000109.9K19 A40 G41 I43 F351K19-T38 HydrophobicContact CD-CG2 4.41Å; K19-T38 HydrophobicContact CG-CG2 3.87Å; T38-A40 PolarHBondContact O-N 3.37Å; T38-G41 PolarHBondContact N-O 3.17Å; T38-G41 PolarHBondContact O-N 2.79Å; T38-G41 VanDerWaalsContact O-N 3.15Å; T38-G41 PolarHBondContact OG1-O 3.03Å; T38-I43 HydrophobicContact CG2-CD1 3.31Å; T38-I43 HydrophobicContact CG2-CG1 4.12Å; T38-F351 VanDerWaalsContact C-CZ 3.46Å
39S86.1Confident91.6Very high108 Ų10858.3 Ų58.376%0.75535%0.345SS*.THydrogen-bonded Turntrans-59-22.7171.952.80000113.4
40A87.6Confident91.8Very high99 Ų9955.9 Ų55.982%0.81833%0.333SS*.THydrogen-bonded Turntrans-85.3-14.2178.600000114T38T38-A40 PolarHBondContact O-N 3.37Å
41G90.6Very high92Very high34 Ų3454 Ų5435%0.35132%0.322SS..EExtended strand (participates in β ladder)trans135.3-167.2-176.500000113.3C37 T38C37-G41 WeakPolarHBondContact CA-O 3.44Å; T38-G41 PolarHBondContact N-O 3.17Å; T38-G41 PolarHBondContact O-N 2.79Å; T38-G41 VanDerWaalsContact O-N 3.15Å; T38-G41 PolarHBondContact OG1-O 3.03Å
42I91.9Very high92.1Very high99 Ų9953.5 Ų53.551%0.50832%0.317SS..EExtended strand (participates in β ladder)trans-78.6127.3178.6-59.1161000108.7K35 V36 T44K35-I42 HydrophobicContact CB-CG2 4.26Å; K35-I42 HydrophobicContact CD-CD1 4.06Å; V36-I42 CarbonylContact O-C 3.58Å; I42-T44 WeakPolarHBondContact CG2-O 3.24Å
43I90.9Very high92Very high95 Ų9555 Ų5549%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-90.6-48.7176.6-58.2-179.8000110.4K19 V36 T38K19-I43 HydrophobicContact CD-CD1 4.14Å; V36-I43 PolarHBondContact O-N 3.11Å; T38-I43 HydrophobicContact CG2-CD1 3.31Å; T38-I43 HydrophobicContact CG2-CG1 4.12Å
44T90.3Very high92.1Very high42 Ų4252.1 Ų52.126%0.25832%0.316SS..EExtended strand (participates in β ladder)trans-133.8145.4-177.462.90000110K35 V36 I42K35-T44 WeakPolarHBondContact CA-O 3.27Å; V36-T44 VanDerWaalsContact CB-OG1 3.25Å; V36-T44 WeakPolarHBondContact CB-OG1 3.43Å; V36-T44 WeakPolarHBondContact CG2-OG1 3.37Å; V36-T44 PolarHBondContact N-O 2.93Å; I42-T44 WeakPolarHBondContact CG2-O 3.24Å
45D91.5Very high92.2Very high71 Ų7152.7 Ų52.738%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-133.5105.6174.4-169-15.7000107.3K33 K35K33-D45 WeakPolarHBondContact CB-OD1 3.29Å; K35-D45 HydrophobicContact CG-CB 4.45Å
46E91.8Very high92.2Very high84 Ų8451.1 Ų51.139%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-104.5126178.1-74.8-69.7169.600109V34 M84V34-E46 HydrophobicContact CB-CB 4.45Å; V34-E46 PolarHBondContact N-O 2.86Å; V34-E46 PolarHBondContact O-N 3.44Å; E46-M84 HydrophobicContact CB-CE 4.45Å; E46-M84 HydrophobicContact CG-CE 4.01Å
47T92.8Very high92.1Very high79 Ų7952.6 Ų52.649%0.48533%0.325SS..EExtended strand (participates in β ladder)trans-95.6118.7-179.7-58.90000110.4A31A31-T47 HydrophobicContact CB-CG2 4.24Å
48I91.8Very high92Very high13 Ų1351.7 Ų51.77%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-96.3124.6169.8-61.1178.7000107.4A31 T32 V34 D50 V52 I72 Y74A31-I48 WeakPolarHBondContact CA-O 3.49Å; T32-I48 PolarHBondContact N-O 3.42Å; T32-I48 PolarHBondContact O-N 3.37Å; V34-I48 HydrophobicContact CG2-CD1 3.66Å; V34-I48 HydrophobicContact CG2-CG1 4.15Å; I48-D50 HydrophobicContact CG2-CB 4.26Å; I48-D50 PolarHBondContact O-N 3.1Å; I48-V52 HydrophobicContact CB-CG2 4.46Å; I48-V52 HydrophobicContact CD1-CG2 3.82Å; I48-V52 HydrophobicContact CG2-CG2 4.47Å; I48-I72 HydrophobicContact CD1-CD1 4.1Å; I48-I72 HydrophobicContact CD1-CG2 3.71Å; I48-Y74 HydrophobicContact CD1-CD1 4.4Å; I48-Y74 HydrophobicContact CG2-CD1 4.09Å; I48-Y74 HydrophobicContact CG2-CD2 4.31Å; I48-Y74 HydrophobicContact CG2-CE1 4.31Å; I48-Y74 HydrophobicContact CG2-CG 4.09Å
49T90.4Very high91.8Very high114 Ų11452.1 Ų52.170%0.69932%0.321SS*.SBendtrans-77.242179.658.70000112.3N30N30-T49 CarbonylContact O-C 3.59Å
50D91.3Very high91.7Very high53 Ų5347.3 Ų47.328%0.28329%0.287SS..SBendtrans-163.2170.1178.8-99.2-53.8000109.8N30 T32 I48 Y74 L75N30-D50 PolarHBondContact O-N 2.89Å; T32-D50 WeakPolarHBondContact CB-O 3.41Å; T32-D50 PolarHBondContact N-O 2.82Å; T32-D50 PolarHBondContact OG1-O 3.43Å; I48-D50 HydrophobicContact CG2-CB 4.26Å; I48-D50 PolarHBondContact O-N 3.1Å; D50-Y74 HydrophobicContact CB-CD2 4.03Å; D50-L75 WeakPolarHBondContact OD2-CD1 3.4Å
51L93.1Very high91.1Very high71 Ų7143.8 Ų43.837%0.37226%0.261SS..  trans-79.8122.9173.5-63.1-179.7000110.9I25 L29 T32 Y74I25-L51 HydrophobicContact CG2-CD2 3.47Å; I25-L51 VanDerWaalsContact CG2-CD2 3.47Å; L29-L51 WeakPolarHBondContact O-CD2 3.47Å; L29-L51 WeakPolarHBondContact O-CG 3.47Å; T32-L51 WeakPolarHBondContact OG1-CA 3.25Å; L51-Y74 WeakPolarHBondContact O-CB 3.26Å
52V94.6Very high89.9Confident6 Ų649.5 Ų49.54%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-80.6121.1173.11750000109.4C23 T32 I48 V55 I72 A73C23-V52 HydrophobicContact CB-CG1 4.49Å; T32-V52 HydrophobicContact CG2-CB 3.99Å; T32-V52 HydrophobicContact CG2-CG2 3.83Å; T32-V52 PolarHBondContact OG1-N 3.16Å; T32-V52 VanDerWaalsContact OG1-N 3.12Å; I48-V52 HydrophobicContact CB-CG2 4.46Å; I48-V52 HydrophobicContact CD1-CG2 3.82Å; I48-V52 HydrophobicContact CG2-CG2 4.47Å; V52-V55 HydrophobicContact CG1-CG1 3.97Å; V52-I72 HydrophobicContact CB-CG2 4.4Å; V52-I72 HydrophobicContact CG1-CG2 3.65Å; V52-I72 HydrophobicContact CG2-CG2 3.79Å; V52-A73 CarbonylContact C-O 3.51Å; V52-A73 WeakPolarHBondContact CA-O 3.17Å; V52-A73 WeakPolarHBondContact CG1-O 3.07Å
53S94.2Very high88.3Confident33 Ų3349.8 Ų49.823%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-75.5-44.2178.6-56.10000111.9S5 A73 I168S5-S53 PolarHBondContact OG-O 2.93Å; S53-A73 PolarHBondContact N-O 3.45Å; S53-I168 WeakPolarHBondContact CB-O 3.36Å; S53-I168 PolarHBondContact OG-O 3.32Å
54A95.7Very high86.7Confident3 Ų352.4 Ų52.43%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-161.2156.2-177.400000112S5 A73 L171S5-A54 CarbonylContact O-C 3.47Å; S5-A54 WeakPolarHBondContact O-CA 3.44Å; A54-A73 PolarHBondContact O-N 3.5Å; A54-L171 HydrophobicContact CB-CB 4.03Å; A54-L171 HydrophobicContact CB-CD1 3.96Å; A54-L171 HydrophobicContact CB-CG 3.81Å
55V96Very high85.5Confident13 Ų1355.4 Ų55.48%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-124.6147.5170.1-66.70000111S5 T8 C23 V52 L70 A71 I72S5-V55 PolarHBondContact O-N 3.45Å; T8-V55 HydrophobicContact CG2-CB 4.33Å; T8-V55 HydrophobicContact CG2-CG2 3.83Å; C23-V55 WeakPolarHBondContact SG-CG1 3.4Å; V52-V55 HydrophobicContact CG1-CG1 3.97Å; V55-L70 HydrophobicContact CB-CD1 4.24Å; V55-A71 CarbonylContact C-O 3.55Å; V55-A71 VanDerWaalsContact CA-O 3.29Å; V55-A71 WeakPolarHBondContact CA-O 3.5Å; V55-I72 HydrophobicContact CG1-CB 4.4Å; V55-I72 HydrophobicContact CG1-CG1 4.11Å; V55-I72 HydrophobicContact CG1-CG2 4.14Å
56A94.7Very high84.5Confident8 Ų858.1 Ų58.17%0.06632%0.322CS..EExtended strand (participates in β ladder)trans-136.7137174.800000110.6A71 L171 T173 L187A56-A71 HydrophobicContact CB-CB 4.45Å; A56-A71 PolarHBondContact N-O 3.06Å; A56-A71 PolarHBondContact O-N 2.96Å; A56-L171 HydrophobicContact CB-CD1 4.31Å; A56-T173 HydrophobicContact CB-CG2 3.98Å; A56-L187 HydrophobicContact CB-CD1 3.86Å
57S93.2Very high84Confident31 Ų3155.6 Ų55.622%0.21731%0.31CS..EExtended strand (participates in β ladder)trans-87.4121.7166.9178.30000108.4L9 I10L9-S57 WeakPolarHBondContact O-CB 3.42Å; I10-S57 WeakPolarHBondContact CB-OG 3.38Å; I10-S57 WeakPolarHBondContact CG1-OG 3.34Å
58I91.5Very high83.8Confident1 Ų152.8 Ų52.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-127157.5178.153.5165.8000110T60 T69 A71 F80 T173 D185 L187 C201I58-T60 HydrophobicContact CD1-CG2 3.9Å; I58-T60 HydrophobicContact CG1-CG2 4.4Å; I58-T69 HydrophobicContact CD1-CG2 4.43Å; I58-T69 HydrophobicContact CG1-CG2 4.47Å; I58-T69 WeakPolarHBondContact CG1-O 3.27Å; I58-T69 PolarHBondContact N-O 2.99Å; I58-T69 PolarHBondContact O-N 3Å; I58-T69 VanDerWaalsContact O-O 3.08Å; I58-A71 HydrophobicContact CD1-CB 4.29Å; I58-F80 HydrophobicContact CD1-CD1 3.81Å; I58-F80 HydrophobicContact CD1-CE1 3.69Å; I58-T173 HydrophobicContact CG2-CG2 3.62Å; I58-D185 HydrophobicContact CB-CB 4.17Å; I58-D185 HydrophobicContact CG2-CB 4.16Å; I58-L187 HydrophobicContact CG2-CD1 4.3Å; I58-C201 HydrophobicContact CD1-CB 3.8Å; I58-C201 VanDerWaalsContact CD1-SG 3.55Å
59V87.7Confident83.8Confident38 Ų3852.1 Ų52.123%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-99.8128168.7-1760000109.1R66 V184 D185V59-R66 HydrophobicContact CG1-CB 4.17Å; V59-R66 HydrophobicContact CG1-CG 4.27Å; V59-V184 WeakPolarHBondContact O-CA 3.44Å; V59-V184 WeakPolarHBondContact O-CG1 3.43Å; V59-D185 PolarHBondContact N-OD2 3.38Å; V59-D185 VanDerWaalsContact N-OD2 3.08Å; V59-D185 PolarHBondContact O-N 2.91Å; V59-D185 VanDerWaalsContact O-N 3.17Å
60T84.3Confident84Confident7 Ų746.7 Ų46.74%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-119.9165.1171.568.30000110.6I58 M67 T69 C201 F204I58-T60 HydrophobicContact CD1-CG2 3.9Å; I58-T60 HydrophobicContact CG1-CG2 4.4Å; T60-M67 PolarHBondContact N-O 3.5Å; T60-M67 WeakPolarHBondContact O-CA 3.38Å; T60-M67 VanDerWaalsContact O-CB 3.24Å; T60-M67 WeakPolarHBondContact O-CB 3.49Å; T60-M67 PolarHBondContact O-N 2.84Å; T60-M67 PolarHBondContact OG1-O 2.84Å; T60-T69 HydrophobicContact CG2-CG2 4.25Å; T60-T69 PolarHBondContact OG1-OG1 3.1Å; T60-C201 HydrophobicContact CG2-CB 3.89Å; T60-C201 WeakPolarHBondContact CG2-O 3.37Å; T60-F204 HydrophobicContact CG2-CZ 4.4Å
61G74Confident84.2Confident25 Ų2544.2 Ų44.226%0.25824%0.244SC..SBendtrans112.7164.5175.500000113.9V184G61-V184 WeakPolarHBondContact O-CG2 3.29Å
62E65.1Low84.3Confident154 Ų15440.9 Ų40.972%0.7223%0.226SC*.  trans-70.4158.4173.7-66.1178176.300110.5D64 I65E62-D64 PolarHBondContact O-N 2.83Å; E62-I65 CarbonylContact O-C 3.45Å; E62-I65 PolarHBondContact O-N 2.97Å
63S59.2Low84.4Confident104 Ų10440.6 Ų40.673%0.72722%0.224SC*.THydrogen-bonded Turntrans-48.8-29.6-169.748.20000115.5
64D57.4Low84.4Confident151 Ų15140.1 Ų40.181%0.80722%0.218SC*.THydrogen-bonded Turntrans-88.2-19.4-174.9-67.2-6.4000113.3E62E62-D64 PolarHBondContact O-N 2.83Å
65I65.2Low84.1Confident105 Ų10543.3 Ų43.354%0.53823%0.234SC..SBendtrans-13491.8-177.8-39.2176.1000110E62 M67E62-I65 CarbonylContact O-C 3.45Å; E62-I65 PolarHBondContact O-N 2.97Å; I65-M67 HydrophobicContact CB-CE 3.64Å; I65-M67 HydrophobicContact CB-SD 4.35Å; I65-M67 HydrophobicContact CD1-CE 4.46Å; I65-M67 HydrophobicContact CG2-CE 3.18Å; I65-M67 HydrophobicContact CG2-SD 3.53Å; I65-M67 VanDerWaalsContact CG2-SD 3.53Å; I65-M67 WeakPolarHBondContact O-CG 3.27Å; I65-M67 PolarHBondContact O-N 2.89Å
66R70.7Confident83.9Confident127 Ų12744.6 Ų44.648%0.47924%0.24SC..  trans-72.8120.9176.3-71.8175.6-103.9-176.8-15.7110.6V59 P68 E182V59-R66 HydrophobicContact CG1-CB 4.17Å; V59-R66 HydrophobicContact CG1-CG 4.27Å; R66-P68 WeakPolarHBondContact O-CD 3.48Å; R66-E182 IonicContact CZ-OE1 2.69Å; R66-E182 IonicContact CZ-OE2 3.07Å; R66-E182 VanDerWaalsContact CZ-OE2 3.27Å; R66-E182 IonicContact NH1-OE1 2.6Å; R66-E182 PolarHBondContact NH1-OE1 3.09Å; R66-E182 IonicContact NH1-OE2 3.52Å; R66-E182 IonicContact NH2-OE1 2.98Å; R66-E182 PolarHBondContact NH2-OE1 3.26Å; R66-E182 IonicContact NH2-OE2 3.11Å; R66-E182 PolarHBondContact NH2-OE2 2.8Å
67M81.3Confident83.8Confident31 Ų3144.4 Ų44.415%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-115.797.5-177.4-44.2-68.2-163.500109.6T60 I65 T69 R82T60-M67 PolarHBondContact N-O 3.5Å; T60-M67 WeakPolarHBondContact O-CA 3.38Å; T60-M67 VanDerWaalsContact O-CB 3.24Å; T60-M67 WeakPolarHBondContact O-CB 3.49Å; T60-M67 PolarHBondContact O-N 2.84Å; T60-M67 PolarHBondContact OG1-O 2.84Å; I65-M67 HydrophobicContact CB-CE 3.64Å; I65-M67 HydrophobicContact CB-SD 4.35Å; I65-M67 HydrophobicContact CD1-CE 4.46Å; I65-M67 HydrophobicContact CG2-CE 3.18Å; I65-M67 HydrophobicContact CG2-SD 3.53Å; I65-M67 VanDerWaalsContact CG2-SD 3.53Å; I65-M67 WeakPolarHBondContact O-CG 3.27Å; I65-M67 PolarHBondContact O-N 2.89Å; M67-T69 PolarHBondContact O-N 2.81Å; M67-T69 PolarHBondContact O-OG1 2.79Å; M67-R82 VanDerWaalsContact CE-CZ 3.42Å; M67-R82 VanDerWaalsContact CG-CZ 3.42Å; M67-R82 PolarHBondContact SD-NH2 2.53Å
68P88.2Confident83.9Confident20 Ų2042.9 Ų42.913%0.1323%0.228CC..EExtended strand (participates in β ladder)trans-60.1124.8172.119.6-24000109.1I10 D11 R66I10-P68 HydrophobicContact CD1-CB 4.4Å; I10-P68 HydrophobicContact CG1-CB 4.13Å; D11-P68 WeakPolarHBondContact O-CB 3.37Å; D11-P68 WeakPolarHBondContact O-CG 3.12Å; R66-P68 WeakPolarHBondContact O-CD 3.48Å
69T92Very high84.1Confident0 Ų043.2 Ų43.20%023%0.231CC..EExtended strand (participates in β ladder)trans-129.2131.8-172.6-57.20000108.7I58 T60 M67 F80 Y81I58-T69 HydrophobicContact CD1-CG2 4.43Å; I58-T69 HydrophobicContact CG1-CG2 4.47Å; I58-T69 WeakPolarHBondContact CG1-O 3.27Å; I58-T69 PolarHBondContact N-O 2.99Å; I58-T69 PolarHBondContact O-N 3Å; I58-T69 VanDerWaalsContact O-O 3.08Å; T60-T69 HydrophobicContact CG2-CG2 4.25Å; T60-T69 PolarHBondContact OG1-OG1 3.1Å; M67-T69 PolarHBondContact O-N 2.81Å; M67-T69 PolarHBondContact O-OG1 2.79Å; T69-F80 HydrophobicContact CG2-CB 3.93Å; T69-F80 HydrophobicContact CG2-CD1 4.23Å; T69-Y81 CarbonylContact C-O 3.53Å; T69-Y81 WeakPolarHBondContact CA-O 3.28Å; T69-Y81 WeakPolarHBondContact CG2-O 3.38Å
70L94.6Very high84.4Confident0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-90.6118.8175.2178.668.5000108.6T8 I10 V21 V34 V55 I72 F80 Y81 M84T8-L70 HydrophobicContact CG2-CD1 3.77Å; I10-L70 HydrophobicContact CD1-CB 3.97Å; V21-L70 HydrophobicContact CB-CD1 4.47Å; V21-L70 HydrophobicContact CG1-CD1 4.22Å; V21-L70 HydrophobicContact CG1-CD2 3.9Å; V21-L70 HydrophobicContact CG2-CD1 4.19Å; V21-L70 HydrophobicContact CG2-CD2 4.17Å; V34-L70 HydrophobicContact CG1-CD2 4.4Å; V55-L70 HydrophobicContact CB-CD1 4.24Å; L70-I72 HydrophobicContact CD2-CD1 3.83Å; L70-I72 HydrophobicContact CD2-CG1 3.98Å; L70-I72 HydrophobicContact CG-CD1 4.31Å; L70-I72 HydrophobicContact CG-CG1 3.89Å; L70-F80 CarbonylContact O-C 3.56Å; L70-F80 WeakPolarHBondContact O-CA 3.41Å; L70-Y81 PolarHBondContact N-O 3.09Å; L70-Y81 PolarHBondContact O-N 3.27Å; L70-M84 HydrophobicContact CD2-CE 4.47Å; L70-M84 HydrophobicContact CD2-SD 3.97Å
71A95.5Very high84.7Confident0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-93.2127.2169.600000109.4V55 A56 I58 F80 L187V55-A71 CarbonylContact C-O 3.55Å; V55-A71 VanDerWaalsContact CA-O 3.29Å; V55-A71 WeakPolarHBondContact CA-O 3.5Å; A56-A71 HydrophobicContact CB-CB 4.45Å; A56-A71 PolarHBondContact N-O 3.06Å; A56-A71 PolarHBondContact O-N 2.96Å; I58-A71 HydrophobicContact CD1-CB 4.29Å; A71-F80 HydrophobicContact CB-CD1 3.95Å; A71-F80 HydrophobicContact CB-CE1 3.87Å; A71-L187 HydrophobicContact CB-CD2 3.92Å
72I96.2Very high85.4Confident1 Ų146 Ų461%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-119.8120.7178.7-51.5-175.5000108.4V34 I48 V52 V55 L70 Y74 C79 Y81V34-I72 HydrophobicContact CG1-CD1 4.05Å; V34-I72 HydrophobicContact CG2-CD1 4.14Å; I48-I72 HydrophobicContact CD1-CD1 4.1Å; I48-I72 HydrophobicContact CD1-CG2 3.71Å; V52-I72 HydrophobicContact CB-CG2 4.4Å; V52-I72 HydrophobicContact CG1-CG2 3.65Å; V52-I72 HydrophobicContact CG2-CG2 3.79Å; V55-I72 HydrophobicContact CG1-CB 4.4Å; V55-I72 HydrophobicContact CG1-CG1 4.11Å; V55-I72 HydrophobicContact CG1-CG2 4.14Å; L70-I72 HydrophobicContact CD2-CD1 3.83Å; L70-I72 HydrophobicContact CD2-CG1 3.98Å; L70-I72 HydrophobicContact CG-CD1 4.31Å; L70-I72 HydrophobicContact CG-CG1 3.89Å; I72-Y74 HydrophobicContact CG2-CD1 4.38Å; I72-C79 PolarHBondContact N-O 3.49Å; I72-C79 PolarHBondContact O-N 3.5Å; I72-Y81 HydrophobicContact CD1-CD2 3.7Å; I72-Y81 HydrophobicContact CD1-CE2 3.67Å; I72-Y81 HydrophobicContact CD1-CG 4.48Å; I72-Y81 HydrophobicContact CG1-CD2 4.06Å; I72-Y81 HydrophobicContact CG1-CE2 4.25Å
73A96Very high86.4Confident0 Ų042.8 Ų42.80%022%0.216CC..EExtended strand (participates in β ladder)trans-97.3124.4174.200000110.9V52 S53 A54 L78 I168 L171V52-A73 CarbonylContact C-O 3.51Å; V52-A73 WeakPolarHBondContact CA-O 3.17Å; V52-A73 WeakPolarHBondContact CG1-O 3.07Å; S53-A73 PolarHBondContact N-O 3.45Å; A54-A73 PolarHBondContact O-N 3.5Å; A73-L78 HydrophobicContact CB-CD2 3.89Å; A73-I168 HydrophobicContact CB-CB 4.07Å; A73-I168 HydrophobicContact CB-CD1 3.93Å; A73-I168 HydrophobicContact CB-CG2 3.65Å; A73-L171 HydrophobicContact CB-CD1 3.73Å; A73-L171 HydrophobicContact CB-CD2 4.16Å; A73-L171 HydrophobicContact CB-CG 4Å
74Y93.2Very high87.8Confident24 Ų2438.4 Ų38.49%0.09419%0.185CC..EExtended strand (participates in β ladder)trans-145139.5167.763.3-88.2000108.6I48 D50 L51 I72 D76 C77 C79I48-Y74 HydrophobicContact CD1-CD1 4.4Å; I48-Y74 HydrophobicContact CG2-CD1 4.09Å; I48-Y74 HydrophobicContact CG2-CD2 4.31Å; I48-Y74 HydrophobicContact CG2-CE1 4.31Å; I48-Y74 HydrophobicContact CG2-CG 4.09Å; D50-Y74 HydrophobicContact CB-CD2 4.03Å; L51-Y74 WeakPolarHBondContact O-CB 3.26Å; I72-Y74 HydrophobicContact CG2-CD1 4.38Å; Y74-D76 PolarHBondContact O-N 2.86Å; Y74-C77 HydrophobicContact CE2-CB 4.44Å; Y74-C77 PolarHBondContact N-O 2.9Å; Y74-C77 PolarHBondContact O-N 3.47Å; Y74-C77 VanDerWaalsContact O-O 3.1Å; Y74-C79 HydrophobicContact CE1-CB 3.98Å; Y74-C79 WeakPolarHBondContact CE1-SG 3.49Å; Y74-C79 PolarHBondContact OH-SG 3.29Å
75L90.5Very high89.3Confident70 Ų7038.4 Ų38.437%0.36618%0.177SC..THydrogen-bonded Turntrans47.6-130.1-172.5-58.5-179.4000111.7D50 C77 T167 I168D50-L75 WeakPolarHBondContact OD2-CD1 3.4Å; L75-C77 VanDerWaalsContact C-N 3.35Å; L75-T167 CarbonylContact O-C 3.56Å; L75-T167 WeakPolarHBondContact O-CA 3.47Å; L75-I168 PolarHBondContact O-N 2.91Å
76D91.6Very high90.5Very high39 Ų3938.2 Ų38.221%0.20918%0.183CC..THydrogen-bonded Turntrans-90.811.6178.461.8-5.3000114Y74 L92 S165 A166Y74-D76 PolarHBondContact O-N 2.86Å; D76-L92 PolarHBondContact O-N 3.41Å; D76-S165 WeakPolarHBondContact CB-OG 3.48Å; D76-A166 WeakPolarHBondContact CA-O 3.5Å; D76-A166 HydrophobicContact CB-CB 4.48Å
77C93.3Very high91.4Very high4 Ų435.9 Ų35.93%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-120.2136.3-171-72.20000112.7Y74 L75 R89Y74-C77 HydrophobicContact CE2-CB 4.44Å; Y74-C77 PolarHBondContact N-O 2.9Å; Y74-C77 PolarHBondContact O-N 3.47Å; Y74-C77 VanDerWaalsContact O-O 3.1Å; L75-C77 VanDerWaalsContact C-N 3.35Å; C77-R89 HydrophobicContact CB-CG 4.38Å; C77-R89 PolarHBondContact SG-NE 3.35Å; C77-R89 PolarHBondContact SG-NH2 3.36Å
78L94.7Very high91.9Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-100.5116.3164.6-72.6169.6000109.5A73 F80 R89 L90 L92 I168 L171 L187 A189 I199A73-L78 HydrophobicContact CB-CD2 3.89Å; L78-F80 HydrophobicContact CB-CE2 3.95Å; L78-F80 HydrophobicContact CB-CZ 4.14Å; L78-R89 WeakPolarHBondContact O-CA 3.46Å; L78-L90 HydrophobicContact CB-CB 4.29Å; L78-L90 HydrophobicContact CD1-CD2 4.47Å; L78-L90 PolarHBondContact N-O 2.87Å; L78-L90 PolarHBondContact O-N 3.39Å; L78-L92 HydrophobicContact CD1-CD2 4.12Å; L78-I168 HydrophobicContact CD2-CD1 3.79Å; L78-I168 HydrophobicContact CG-CD1 3.68Å; L78-L171 HydrophobicContact CD2-CD1 4.3Å; L78-L171 HydrophobicContact CD2-CD2 3.79Å; L78-L187 HydrophobicContact CD1-CD2 3.97Å; L78-L187 HydrophobicContact CD2-CD2 3.96Å; L78-A189 HydrophobicContact CD1-CB 4.33Å; L78-I199 HydrophobicContact CD1-CD1 3.54Å; L78-I199 HydrophobicContact CD1-CG1 3.94Å
79C94.5Very high92.1Very high8 Ų844.6 Ų44.65%0.05421%0.211CC..EExtended strand (participates in β ladder)trans-103.4127.5173.4-69.60000110.6I72 Y74 Y81I72-C79 PolarHBondContact N-O 3.49Å; I72-C79 PolarHBondContact O-N 3.5Å; Y74-C79 HydrophobicContact CE1-CB 3.98Å; Y74-C79 WeakPolarHBondContact CE1-SG 3.49Å; Y74-C79 PolarHBondContact OH-SG 3.29Å; C79-Y81 HydrophobicContact CB-CD2 4.28Å; C79-Y81 HydrophobicContact CB-CE2 3.64Å
80F94Very high92.2Very high0 Ų045.3 Ų45.30%022%0.215CC..EExtended strand (participates in β ladder)trans-102.1126.9178.6-61-85.2000109I58 T69 L70 A71 L78 L87 F88 L90 L187 I199 F204I58-F80 HydrophobicContact CD1-CD1 3.81Å; I58-F80 HydrophobicContact CD1-CE1 3.69Å; T69-F80 HydrophobicContact CG2-CB 3.93Å; T69-F80 HydrophobicContact CG2-CD1 4.23Å; L70-F80 CarbonylContact O-C 3.56Å; L70-F80 WeakPolarHBondContact O-CA 3.41Å; A71-F80 HydrophobicContact CB-CD1 3.95Å; A71-F80 HydrophobicContact CB-CE1 3.87Å; L78-F80 HydrophobicContact CB-CE2 3.95Å; L78-F80 HydrophobicContact CB-CZ 4.14Å; F80-L87 HydrophobicContact CB-CB 4.49Å; F80-L87 WeakPolarHBondContact O-CA 3.42Å; F80-L87 WeakPolarHBondContact O-CB 3.16Å; F80-L87 PolarHBondContact O-N 3.15Å; F80-F88 HydrophobicContact CD2-CB 4.28Å; F80-F88 HydrophobicContact CD2-CD1 4.32Å; F80-F88 PolarHBondContact N-O 3.23Å; F80-F88 PolarHBondContact O-N 3.37Å; F80-L90 HydrophobicContact CE2-CB 4.05Å; F80-L187 HydrophobicContact CE1-CD2 4.26Å; F80-L187 HydrophobicContact CZ-CD2 4.37Å; F80-I199 HydrophobicContact CZ-CG2 4.48Å; F80-F204 HydrophobicContact CB-CE1 3.93Å; F80-F204 HydrophobicContact CD1-CD1 4.17Å; F80-F204 AromaticContact CD1-CE1 3.74Å; F80-F204 HydrophobicContact CD1-CE1 3.74Å; F80-F204 AromaticContact CD2-CD1 3.55Å; F80-F204 HydrophobicContact CD2-CD1 3.55Å; F80-F204 AromaticContact CD2-CE1 3.76Å; F80-F204 HydrophobicContact CD2-CE1 3.76Å; F80-F204 HydrophobicContact CE1-CD1 4.22Å; F80-F204 HydrophobicContact CE1-CE1 4.14Å; F80-F204 AromaticContact CE2-CD1 3.62Å; F80-F204 HydrophobicContact CE2-CD1 3.62Å; F80-F204 HydrophobicContact CE2-CE1 4.17Å; F80-F204 AromaticContact CG-CD1 3.83Å; F80-F204 HydrophobicContact CG-CD1 3.83Å; F80-F204 AromaticContact CG-CE1 3.51Å; F80-F204 HydrophobicContact CG-CE1 3.51Å; F80-F204 AromaticContact CZ-CD1 3.96Å; F80-F204 HydrophobicContact CZ-CD1 3.96Å; F80-F204 HydrophobicContact CZ-CE1 4.34Å
81Y92.2Very high92.1Very high27 Ų2749 Ų4911%0.10624%0.239CC..EExtended strand (participates in β ladder)trans-118.2132.9179.4-73-104.5000109.7T69 L70 I72 C79 K85 P86T69-Y81 CarbonylContact C-O 3.53Å; T69-Y81 WeakPolarHBondContact CA-O 3.28Å; T69-Y81 WeakPolarHBondContact CG2-O 3.38Å; L70-Y81 PolarHBondContact N-O 3.09Å; L70-Y81 PolarHBondContact O-N 3.27Å; I72-Y81 HydrophobicContact CD1-CD2 3.7Å; I72-Y81 HydrophobicContact CD1-CE2 3.67Å; I72-Y81 HydrophobicContact CD1-CG 4.48Å; I72-Y81 HydrophobicContact CG1-CD2 4.06Å; I72-Y81 HydrophobicContact CG1-CE2 4.25Å; C79-Y81 HydrophobicContact CB-CD2 4.28Å; C79-Y81 HydrophobicContact CB-CE2 3.64Å; Y81-K85 CarbonylContact C-O 3.57Å; Y81-K85 WeakPolarHBondContact CA-O 2.96Å; Y81-P86 HydrophobicContact CD1-CG 4.19Å; Y81-P86 HydrophobicContact CE1-CB 4.23Å; Y81-P86 HydrophobicContact CE1-CG 3.68Å
82R88.9Confident91.9Very high100 Ų10049.3 Ų49.338%0.37724%0.24SC..EExtended strand (participates in β ladder)trans-122.2121.3176.9-176.3168.9159.7-159-20109.2M67 M84 K85 L87M67-R82 VanDerWaalsContact CE-CZ 3.42Å; M67-R82 VanDerWaalsContact CG-CZ 3.42Å; M67-R82 PolarHBondContact SD-NH2 2.53Å; R82-M84 PolarHBondContact O-N 3.23Å; R82-K85 PolarHBondContact N-O 3.34Å; R82-K85 WeakPolarHBondContact O-CB 3.44Å; R82-K85 PolarHBondContact O-N 3.13Å; R82-L87 HydrophobicContact CB-CB 4.44Å; R82-L87 HydrophobicContact CB-CD2 4.43Å
83N86.1Confident91.5Very high87 Ų8752.6 Ų52.647%0.46526%0.262SS..THydrogen-bonded Turntrans48.544-168.6-170.122.9000111.8N13 K85N13-N83 PolarHBondContact OD1-OD1 2.53Å; N83-K85 PolarHBondContact O-N 2.94Å
84M86.9Confident90.7Very high13 Ų1354.2 Ų54.26%0.06428%0.278CS..THydrogen-bonded Turntrans56.111.7-174.1-62.1-55.4-64.100116.5L12 V34 V36 E46 L70 R82L12-M84 HydrophobicContact CD1-CG 3.89Å; L12-M84 HydrophobicContact CD1-SD 4.48Å; L12-M84 HydrophobicContact CD2-CG 4.49Å; L12-M84 HydrophobicContact CD2-SD 4.38Å; V34-M84 HydrophobicContact CG1-CE 4.25Å; V36-M84 HydrophobicContact CG2-CE 3.8Å; V36-M84 HydrophobicContact CG2-CG 3.74Å; V36-M84 HydrophobicContact CG2-SD 3.48Å; V36-M84 WeakPolarHBondContact CG2-SD 3.33Å; E46-M84 HydrophobicContact CB-CE 4.45Å; E46-M84 HydrophobicContact CG-CE 4.01Å; L70-M84 HydrophobicContact CD2-CE 4.47Å; L70-M84 HydrophobicContact CD2-SD 3.97Å; R82-M84 PolarHBondContact O-N 3.23Å
85K89.2Confident90Very high150 Ų15057 Ų5765%0.65230%0.295SS*.EExtended strand (participates in β ladder)trans-92.3132.3168.6-63.7-177.4179.2-177.40109.6Y81 R82 N83 L87Y81-K85 CarbonylContact C-O 3.57Å; Y81-K85 WeakPolarHBondContact CA-O 2.96Å; R82-K85 PolarHBondContact N-O 3.34Å; R82-K85 WeakPolarHBondContact O-CB 3.44Å; R82-K85 PolarHBondContact O-N 3.13Å; N83-K85 PolarHBondContact O-N 2.94Å; K85-L87 PolarHBondContact O-N 2.9Å
86P91.2Very high89.4Confident102 Ų10262.4 Ų62.466%0.66232%0.318SS*.EExtended strand (participates in β ladder)trans-55.4125.1173-22.230.2000110.9Y81Y81-P86 HydrophobicContact CD1-CG 4.19Å; Y81-P86 HydrophobicContact CE1-CB 4.23Å; Y81-P86 HydrophobicContact CE1-CG 3.68Å
87L90Very high88.9Confident78 Ų7861.5 Ų61.541%0.40831%0.313SS..EExtended strand (participates in β ladder)trans-102.9-55.5179.4176.866.8000111F80 R82 K85 F204F80-L87 HydrophobicContact CB-CB 4.49Å; F80-L87 WeakPolarHBondContact O-CA 3.42Å; F80-L87 WeakPolarHBondContact O-CB 3.16Å; F80-L87 PolarHBondContact O-N 3.15Å; R82-L87 HydrophobicContact CB-CB 4.44Å; R82-L87 HydrophobicContact CB-CD2 4.43Å; K85-L87 PolarHBondContact O-N 2.9Å; L87-F204 HydrophobicContact CD2-CE1 4.43Å; L87-F204 HydrophobicContact CD2-CE2 4.11Å; L87-F204 HydrophobicContact CD2-CZ 3.56Å; L87-F204 HydrophobicContact CG-CZ 4.41Å
88F91.2Very high88.6Confident92 Ų9263.5 Ų63.540%0.40433%0.326SS..EExtended strand (participates in β ladder)trans-150.4147.6-175.1-166.7-100.2000110.7F80 L90 F204F80-F88 HydrophobicContact CD2-CB 4.28Å; F80-F88 HydrophobicContact CD2-CD1 4.32Å; F80-F88 PolarHBondContact N-O 3.23Å; F80-F88 PolarHBondContact O-N 3.37Å; F88-L90 HydrophobicContact CD1-CB 4.08Å; F88-L90 HydrophobicContact CE1-CB 3.85Å; F88-L90 HydrophobicContact CE1-CD1 4.25Å; F88-F204 HydrophobicContact CB-CD1 4.33Å; F88-F204 HydrophobicContact CB-CD2 4.36Å; F88-F204 HydrophobicContact CB-CG 4.23Å; F88-F204 HydrophobicContact CD1-CB 3.51Å; F88-F204 HydrophobicContact CD1-CD1 4.2Å; F88-F204 AromaticContact CD1-CG 3.84Å; F88-F204 HydrophobicContact CD1-CG 3.84Å; F88-F204 HydrophobicContact CE1-CB 3.59Å; F88-F204 HydrophobicContact CE1-CG 4.4Å; F88-F204 HydrophobicContact CG-CB 4.1Å; F88-F204 HydrophobicContact CG-CD1 4.5Å; F88-F204 HydrophobicContact CG-CD2 4.3Å; F88-F204 HydrophobicContact CG-CG 4.05Å; F88-F204 HydrophobicContact CZ-CB 4.25Å
89R93.3Very high88.3Confident141 Ų14168.4 Ų68.453%0.53235%0.348SS..EExtended strand (participates in β ladder)trans-121.1114.2172.3178.5173.1179.9-179.93.4108.4C77 L78 P91C77-R89 HydrophobicContact CB-CG 4.38Å; C77-R89 PolarHBondContact SG-NE 3.35Å; C77-R89 PolarHBondContact SG-NH2 3.36Å; L78-R89 WeakPolarHBondContact O-CA 3.46Å; R89-P91 WeakPolarHBondContact O-CD 3.34Å
90L93.7Very high88.1Confident15 Ų1571 Ų718%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-102.4103.4177.4178.360.9000109.4L78 F80 F88 I199 F204 V206L78-L90 HydrophobicContact CB-CB 4.29Å; L78-L90 HydrophobicContact CD1-CD2 4.47Å; L78-L90 PolarHBondContact N-O 2.87Å; L78-L90 PolarHBondContact O-N 3.39Å; F80-L90 HydrophobicContact CE2-CB 4.05Å; F88-L90 HydrophobicContact CD1-CB 4.08Å; F88-L90 HydrophobicContact CE1-CB 3.85Å; F88-L90 HydrophobicContact CE1-CD1 4.25Å; L90-I199 HydrophobicContact CD2-CB 4.45Å; L90-I199 HydrophobicContact CD2-CG1 3.95Å; L90-I199 HydrophobicContact CD2-CG2 3.6Å; L90-F204 WeakPolarHBondContact CD1-O 3.21Å; L90-V206 HydrophobicContact CD2-CG2 4.47Å
91P92.6Very high87.9Confident78 Ų7871 Ų7151%0.50636%0.361SS..EExtended strand (participates in β ladder)trans-70.8128.7166.529.6-31.9000109.3R89R89-P91 WeakPolarHBondContact O-CD 3.34Å
92L91.9Very high87.8Confident6 Ų674.6 Ų74.63%0.03137%0.374CS..PPolyproline II helixtrans-75138.6174.4-66.1-175.6000110D76 L78 G94 A166 I168 A189 T191 F197 I199 V206D76-L92 PolarHBondContact O-N 3.41Å; L78-L92 HydrophobicContact CD1-CD2 4.12Å; L92-G94 PolarHBondContact O-N 2.95Å; L92-A166 HydrophobicContact CB-CB 3.94Å; L92-I168 HydrophobicContact CD1-CD1 3.65Å; L92-I168 HydrophobicContact CD1-CG1 3.46Å; L92-I168 VanDerWaalsContact CD1-CG1 3.46Å; L92-I168 HydrophobicContact CG-CD1 4.25Å; L92-I168 HydrophobicContact CG-CG1 4.46Å; L92-A189 HydrophobicContact CD1-CB 4.01Å; L92-T191 HydrophobicContact CD1-CG2 3.91Å; L92-F197 HydrophobicContact CD1-CD2 3.84Å; L92-F197 HydrophobicContact CD1-CE2 4.32Å; L92-F197 HydrophobicContact CD1-CG 4.33Å; L92-F197 HydrophobicContact CD2-CB 4.29Å; L92-F197 HydrophobicContact CD2-CG 4.26Å; L92-I199 HydrophobicContact CD2-CD1 4.38Å; L92-I199 HydrophobicContact CD2-CG1 4.44Å; L92-V206 HydrophobicContact CD2-CG2 4.03Å
93P86.7Confident87.9Confident70 Ų7075.1 Ų75.146%0.45538%0.381SS..PPolyproline II helixtrans-68.8124.418028.3-32.4000109.8F197P93-F197 HydrophobicContact CG-CD1 4.42Å; P93-F197 HydrophobicContact CG-CE1 3.77Å; P93-F197 HydrophobicContact CG-CZ 4.49Å; P93-F197 WeakPolarHBondContact O-CZ 3.43Å
94G80.1Confident88.1Confident34 Ų3471.6 Ų71.635%0.35136%0.362SS..PPolyproline II helixtrans-79.1163.3168.700000112.8L92 F164L92-G94 PolarHBondContact O-N 2.95Å; G94-F164 WeakPolarHBondContact CA-O 3.24Å
95D77Confident88.3Confident84 Ų8471.3 Ų71.345%0.44936%0.36SS..PPolyproline II helixtrans-64.6160.5169.9-74-34000112.8I97 F164D95-I97 PolarHBondContact O-N 2.91Å; D95-F164 HydrophobicContact CB-CD1 3.62Å; D95-F164 HydrophobicContact CB-CE1 3.68Å; D95-F164 WeakPolarHBondContact O-CB 3.38Å
96Q77.9Confident88.3Confident182 Ų18268.7 Ų68.785%0.8535%0.353SS*.PPolyproline II helixtrans-71131.4174-62.8-1731100110.5T98Q96-T98 PolarHBondContact O-N 3.24Å
97I82.7Confident88.2Confident21 Ų2165.7 Ų65.711%0.10834%0.335CS..PPolyproline II helixtrans-61.7135.8172.8-67.4147.8000109.6D95 E99 E101 L162 F164D95-I97 PolarHBondContact O-N 2.91Å; I97-E99 PolarHBondContact O-N 3.17Å; I97-E101 HydrophobicContact CG2-CB 3.96Å; I97-E101 HydrophobicContact CG2-CG 3.98Å; I97-L162 HydrophobicContact CD1-CB 3.36Å; I97-L162 WeakPolarHBondContact CD1-O 3.38Å; I97-L162 HydrophobicContact CG1-CB 4.39Å; I97-L162 HydrophobicContact CG2-CD1 4.09Å; I97-F164 HydrophobicContact CG1-CB 4.25Å
98T86.1Confident88Confident46 Ų4662.6 Ų62.628%0.28232%0.32SS..PPolyproline II helixtrans-57.7135.3178.6-52.90000110.1Q96 I100 E101 R102 V129Q96-T98 PolarHBondContact O-N 3.24Å; T98-I100 HydrophobicContact CG2-CB 4.22Å; T98-I100 HydrophobicContact CG2-CG1 4.18Å; T98-I100 PolarHBondContact O-N 3.3Å; T98-I100 VanDerWaalsContact O-N 3.15Å; T98-E101 WeakPolarHBondContact O-CB 3.34Å; T98-E101 PolarHBondContact O-N 3.47Å; T98-R102 PolarHBondContact O-N 3.03Å; T98-R102 VanDerWaalsContact O-N 3.09Å; T98-V129 HydrophobicContact CG2-CG2 3.91Å
99E88.5Confident87.8Confident103 Ų10362 Ų6248%0.48132%0.322SS..Hα-helixtrans-57.8-34-176.7-172.755-152.300112.6I97 E101 R102 Q103I97-E99 PolarHBondContact O-N 3.17Å; E99-E101 PolarHBondContact O-N 3.13Å; E99-R102 WeakPolarHBondContact O-CB 3.13Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 IonicContact OE2-NE 3.34Å; E99-Q103 WeakPolarHBondContact O-CB 3.32Å; E99-Q103 VanDerWaalsContact O-CG 3.27Å; E99-Q103 WeakPolarHBondContact O-CG 3.5Å; E99-Q103 PolarHBondContact O-N 3.38Å; E99-Q103 PolarHBondContact OE1-NE2 3.09Å
100I90Very high87.5Confident61 Ų6158.7 Ų58.731%0.31331%0.314SS..Hα-helixtrans-61.2-45.8176.3-52.1179.9000111T98 Q103 I104 L125T98-I100 HydrophobicContact CG2-CB 4.22Å; T98-I100 HydrophobicContact CG2-CG1 4.18Å; T98-I100 PolarHBondContact O-N 3.3Å; T98-I100 VanDerWaalsContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 3.14Å; I100-I104 HydrophobicContact CG2-CD1 4.17Å; I100-I104 WeakPolarHBondContact O-CD1 3.32Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.4Å; I100-I104 VanDerWaalsContact O-N 3.13Å; I100-L125 HydrophobicContact CB-CD1 4.25Å; I100-L125 HydrophobicContact CG2-CD1 4Å
101E90.6Very high86.9Confident0 Ų063.9 Ų63.90%035%0.349CS..Hα-helixtrans-63.9-44.3177179.5175.6-171.800111I97 T98 E99 Q103 I104 W105 L125 S135 S138 L162I97-E101 HydrophobicContact CG2-CB 3.96Å; I97-E101 HydrophobicContact CG2-CG 3.98Å; T98-E101 WeakPolarHBondContact O-CB 3.34Å; T98-E101 PolarHBondContact O-N 3.47Å; E99-E101 PolarHBondContact O-N 3.13Å; E101-Q103 VanDerWaalsContact C-N 3.3Å; E101-Q103 PolarHBondContact O-N 3.21Å; E101-I104 PolarHBondContact O-N 3.26Å; E101-W105 PolarHBondContact O-N 2.86Å; E101-W105 VanDerWaalsContact O-N 3.1Å; E101-L125 HydrophobicContact CB-CD1 3.93Å; E101-L125 HydrophobicContact CB-CD2 3.89Å; E101-L125 HydrophobicContact CG-CD2 3.85Å; E101-S135 WeakPolarHBondContact OE1-CB 3.48Å; E101-S135 PolarHBondContact OE1-N 3.07Å; E101-S135 PolarHBondContact OE1-OG 3.35Å; E101-S135 PolarHBondContact OE2-N 3.32Å; E101-S138 WeakPolarHBondContact OE1-CB 3.42Å; E101-S138 PolarHBondContact OE1-OG 3.06Å; E101-L162 HydrophobicContact CG-CD1 4.24Å
102R89.8Confident86.5Confident104 Ų10466.7 Ų66.739%0.39236%0.36SS..Hα-helixtrans-58.5-43.3177.1-172.1-171.2-61-111.4-2.5111.5T98 E99 W105 N106T98-R102 PolarHBondContact O-N 3.03Å; T98-R102 VanDerWaalsContact O-N 3.09Å; E99-R102 WeakPolarHBondContact O-CB 3.13Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 IonicContact OE2-NE 3.34Å; R102-W105 PolarHBondContact O-N 3.3Å; R102-N106 VanDerWaalsContact O-CB 3.29Å; R102-N106 WeakPolarHBondContact O-CB 3.31Å; R102-N106 PolarHBondContact O-N 3.33Å; R102-N106 PolarHBondContact O-ND2 2.99Å
103Q91Very high86.1Confident111 Ų11168.4 Ų68.452%0.51937%0.37SS..Hα-helixtrans-64.2-39.7178.4-74.1173.73.400112.6E99 I100 E101 N106 S107E99-Q103 WeakPolarHBondContact O-CB 3.32Å; E99-Q103 VanDerWaalsContact O-CG 3.27Å; E99-Q103 WeakPolarHBondContact O-CG 3.5Å; E99-Q103 PolarHBondContact O-N 3.38Å; E99-Q103 PolarHBondContact OE1-NE2 3.09Å; I100-Q103 PolarHBondContact O-N 3.14Å; E101-Q103 VanDerWaalsContact C-N 3.3Å; E101-Q103 PolarHBondContact O-N 3.21Å; Q103-N106 PolarHBondContact O-N 2.83Å; Q103-S107 WeakPolarHBondContact O-CB 3.25Å; Q103-S107 PolarHBondContact O-N 2.83Å; Q103-S107 PolarHBondContact O-OG 2.8Å
104I90.2Very high86.2Confident13 Ų1367.6 Ų67.67%0.06737%0.367CS..Hα-helixtrans-66-43.3178.6-65.4164.4000111.3I100 E101 S107 A108 V118 A121 M122 L125I100-I104 HydrophobicContact CG2-CD1 4.17Å; I100-I104 WeakPolarHBondContact O-CD1 3.32Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.4Å; I100-I104 VanDerWaalsContact O-N 3.13Å; E101-I104 PolarHBondContact O-N 3.26Å; I104-S107 PolarHBondContact O-N 2.87Å; I104-S107 PolarHBondContact O-OG 2.95Å; I104-A108 PolarHBondContact O-N 3.4Å; I104-A108 VanDerWaalsContact O-N 3.12Å; I104-V118 HydrophobicContact CG2-CG1 4.16Å; I104-A121 HydrophobicContact CD1-CB 4.26Å; I104-A121 WeakPolarHBondContact CD1-O 3.43Å; I104-A121 HydrophobicContact CG1-CB 3.99Å; I104-A121 HydrophobicContact CG2-CB 3.98Å; I104-M122 HydrophobicContact CG2-CG 3.95Å; I104-M122 HydrophobicContact CG2-SD 3.71Å; I104-L125 HydrophobicContact CD1-CB 3.74Å; I104-L125 HydrophobicContact CD1-CD1 4.26Å; I104-L125 HydrophobicContact CD1-CD2 4.38Å; I104-L125 HydrophobicContact CD1-CG 4.34Å
105W90.5Very high86.5Confident6 Ų667.8 Ų67.82%0.02336%0.361CS..Hα-helixtrans-73.4-32177.6-76.7104.7000112.8E101 R102 A108 M122 I137 S138 F153 N157 L162E101-W105 PolarHBondContact O-N 2.86Å; E101-W105 VanDerWaalsContact O-N 3.1Å; R102-W105 PolarHBondContact O-N 3.3Å; W105-A108 WeakPolarHBondContact O-CB 3.42Å; W105-A108 PolarHBondContact O-N 3.2Å; W105-M122 HydrophobicContact CZ2-CE 3.86Å; W105-M122 HydrophobicContact CZ2-SD 4.41Å; W105-I137 HydrophobicContact CH2-CG2 3.56Å; W105-I137 HydrophobicContact CZ2-CB 4.47Å; W105-I137 HydrophobicContact CZ2-CG2 3.47Å; W105-I137 VanDerWaalsContact CZ2-CG2 3.47Å; W105-I137 HydrophobicContact CZ3-CG2 4.29Å; W105-S138 PolarHBondContact NE1-OG 2.88Å; W105-F153 HydrophobicContact CH2-CE1 4.35Å; W105-N157 HydrophobicContact CH2-CB 4.2Å; W105-N157 HydrophobicContact CZ3-CB 4.1Å; W105-L162 HydrophobicContact CB-CD1 3.87Å; W105-L162 HydrophobicContact CB-CD2 4.27Å; W105-L162 HydrophobicContact CB-CG 4.31Å; W105-L162 HydrophobicContact CD2-CD2 4.04Å; W105-L162 HydrophobicContact CG-CD1 3.89Å; W105-L162 HydrophobicContact CG-CD2 3.7Å; W105-L162 HydrophobicContact CG-CG 4.22Å
106N89.1Confident87.1Confident95 Ų9568.9 Ų68.951%0.50837%0.367SS..Hα-helixtrans-66.1-39.5171.6-74-13.7000111.7R102 Q103 A108 N109R102-N106 VanDerWaalsContact O-CB 3.29Å; R102-N106 WeakPolarHBondContact O-CB 3.31Å; R102-N106 PolarHBondContact O-N 3.33Å; R102-N106 PolarHBondContact O-ND2 2.99Å; Q103-N106 PolarHBondContact O-N 2.83Å; N106-A108 VanDerWaalsContact C-N 3.28Å; N106-A108 PolarHBondContact O-N 2.8Å; N106-N109 PolarHBondContact O-N 2.8Å; N106-N109 VanDerWaalsContact O-N 3.17Å
107S89.4Confident87.6Confident40 Ų4065.4 Ų65.428%0.2835%0.35SS..Hα-helixtrans-69-26.9176.770.40000112.5Q103 I104 N109 D110 V113Q103-S107 WeakPolarHBondContact O-CB 3.25Å; Q103-S107 PolarHBondContact O-N 2.83Å; Q103-S107 PolarHBondContact O-OG 2.8Å; I104-S107 PolarHBondContact O-N 2.87Å; I104-S107 PolarHBondContact O-OG 2.95Å; S107-N109 PolarHBondContact O-N 3.21Å; S107-D110 WeakPolarHBondContact O-CB 3.43Å; S107-D110 PolarHBondContact O-N 3.15Å; S107-V113 WeakPolarHBondContact O-CB 3.36Å
108A86.8Confident87.9Confident12 Ų1264.5 Ų64.510%0.09935%0.346CS..THydrogen-bonded Turntrans-65.4-17.117200000114.1I104 W105 N106 V118 I154 K158I104-A108 PolarHBondContact O-N 3.4Å; I104-A108 VanDerWaalsContact O-N 3.12Å; W105-A108 WeakPolarHBondContact O-CB 3.42Å; W105-A108 PolarHBondContact O-N 3.2Å; N106-A108 VanDerWaalsContact C-N 3.28Å; N106-A108 PolarHBondContact O-N 2.8Å; A108-V118 HydrophobicContact CB-CG1 3.95Å; A108-V118 HydrophobicContact CB-CG2 3.84Å; A108-I154 HydrophobicContact CB-CG2 4.25Å; A108-K158 HydrophobicContact CB-CB 4.22Å
109N86.6Confident88.2Confident81 Ų8163.3 Ų63.343%0.43334%0.338SS..THydrogen-bonded Turntrans-87.4-13.3172.4-73.8-46.6000113.3N106 S107 P111 K158N106-N109 PolarHBondContact O-N 2.8Å; N106-N109 VanDerWaalsContact O-N 3.17Å; S107-N109 PolarHBondContact O-N 3.21Å; N109-P111 WeakPolarHBondContact O-CD 3.46Å; N109-K158 PolarHBondContact ND2-O 3.31Å; N109-K158 VanDerWaalsContact OD1-C 3.31Å; N109-K158 WeakPolarHBondContact OD1-CB 3.06Å; N109-K158 PolarHBondContact OD1-O 2.87Å; N109-K158 VanDerWaalsContact OD1-O 3.09Å
110D86.2Confident88.3Confident70 Ų7065.4 Ų65.437%0.37435%0.345SS..SBendtrans-75.3121.4176.9-172.4-22.1000109.4S107 N112 V113S107-D110 WeakPolarHBondContact O-CB 3.43Å; S107-D110 PolarHBondContact O-N 3.15Å; D110-N112 PolarHBondContact O-N 3.11Å; D110-N112 WeakPolarHBondContact OD1-CB 3.33Å; D110-N112 PolarHBondContact OD1-N 3.29Å; D110-N112 PolarHBondContact OD1-ND2 3.28Å; D110-V113 HydrophobicContact CB-CG2 3.94Å; D110-V113 PolarHBondContact O-N 3.18Å; D110-V113 VanDerWaalsContact O-N 3.12Å
111P80.9Confident88.3Confident124 Ų12464 Ų6481%0.80534%0.342SS*.THydrogen-bonded Turntrans-60.5-15.8178.825.3-35.1000114N109N109-P111 WeakPolarHBondContact O-CD 3.46Å
112N84.2Confident88.3Confident138 Ų13864 Ų6474%0.73834%0.342SS*.THydrogen-bonded Turntrans-84.8-12.4178.9-58.1-57.9000114D110D110-N112 PolarHBondContact O-N 3.11Å; D110-N112 WeakPolarHBondContact OD1-CB 3.33Å; D110-N112 PolarHBondContact OD1-N 3.29Å; D110-N112 PolarHBondContact OD1-ND2 3.28Å
113V84.2Confident88.4Confident41 Ų4163.7 Ų63.725%0.24835%0.345CS..SBendtrans-95.6122.2-176.3179.90000109.4S107 D110 Q117 V118S107-V113 WeakPolarHBondContact O-CB 3.36Å; D110-V113 HydrophobicContact CB-CG2 3.94Å; D110-V113 PolarHBondContact O-N 3.18Å; D110-V113 VanDerWaalsContact O-N 3.12Å; V113-Q117 HydrophobicContact CG1-CB 3.99Å; V113-V118 HydrophobicContact CG1-CG2 3.76Å
114S87.6Confident88.4Confident54 Ų5463.5 Ų63.538%0.37834%0.344SS..  trans-74.2149.3177.974.80000111.2D116 Q117 V118S114-D116 PolarHBondContact O-N 3.44Å; S114-D116 VanDerWaalsContact O-N 3.16Å; S114-Q117 VanDerWaalsContact N-OE1 3.15Å; S114-Q117 WeakPolarHBondContact O-CB 3.48Å; S114-Q117 PolarHBondContact O-N 3.5Å; S114-Q117 WeakPolarHBondContact OG-CG 3.45Å; S114-Q117 PolarHBondContact OG-N 2.77Å; S114-V118 PolarHBondContact O-N 2.87Å
115V88.1Confident88.5Confident38 Ų3862.9 Ų62.923%0.2334%0.341CS..Hα-helixtrans-56.9-34.3178.9-177.20000111.5Q117 V118 I119 I154 E155V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.43Å; V115-V118 WeakPolarHBondContact O-CB 3.42Å; V115-V118 PolarHBondContact O-N 2.89Å; V115-I119 HydrophobicContact CG1-CD1 4.21Å; V115-I119 HydrophobicContact CG1-CG1 4.5Å; V115-I119 WeakPolarHBondContact O-CG1 3.34Å; V115-I119 PolarHBondContact O-N 3.18Å; V115-I154 HydrophobicContact CG1-CB 4.27Å; V115-I154 HydrophobicContact CG1-CD1 3.93Å; V115-I154 HydrophobicContact CG1-CG2 4.39Å; V115-E155 HydrophobicContact CG2-CG 4.37Å
116D88Confident88.4Confident107 Ų10769.2 Ų69.257%0.57237%0.369SS*.Hα-helixtrans-64.6-33.4175.5-64.8-35.9000113.3S114 I119 K120S114-D116 PolarHBondContact O-N 3.44Å; S114-D116 VanDerWaalsContact O-N 3.16Å; D116-I119 PolarHBondContact O-N 3.01Å; D116-K120 WeakPolarHBondContact O-CG 3.41Å; D116-K120 PolarHBondContact O-N 3.15Å
117Q89.4Confident88.4Confident108 Ų10870 Ų7051%0.50538%0.38SS..Hα-helixtrans-68.2-40.4174.2-71170-15.300110.7V113 S114 V115 K120 A121V113-Q117 HydrophobicContact CG1-CB 3.99Å; S114-Q117 VanDerWaalsContact N-OE1 3.15Å; S114-Q117 WeakPolarHBondContact O-CB 3.48Å; S114-Q117 PolarHBondContact O-N 3.5Å; S114-Q117 WeakPolarHBondContact OG-CG 3.45Å; S114-Q117 PolarHBondContact OG-N 2.77Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.43Å; Q117-K120 PolarHBondContact O-N 3.02Å; Q117-A121 WeakPolarHBondContact O-CB 2.98Å; Q117-A121 PolarHBondContact O-N 2.97Å
118V89.7Confident88.4Confident2 Ų272.6 Ų72.61%0.01239%0.388CS..Hα-helixtrans-63.3-43.7174.6-1760000110.5I104 A108 V113 S114 V115 K120 A121 M122 I154I104-V118 HydrophobicContact CG2-CG1 4.16Å; A108-V118 HydrophobicContact CB-CG1 3.95Å; A108-V118 HydrophobicContact CB-CG2 3.84Å; V113-V118 HydrophobicContact CG1-CG2 3.76Å; S114-V118 PolarHBondContact O-N 2.87Å; V115-V118 WeakPolarHBondContact O-CB 3.42Å; V115-V118 PolarHBondContact O-N 2.89Å; V118-K120 PolarHBondContact O-N 3.37Å; V118-A121 PolarHBondContact O-N 2.89Å; V118-A121 VanDerWaalsContact O-N 3.16Å; V118-M122 HydrophobicContact CG1-CG 4.35Å; V118-M122 VanDerWaalsContact O-CG 3.29Å; V118-M122 WeakPolarHBondContact O-CG 3.33Å; V118-M122 PolarHBondContact O-N 2.94Å; V118-I154 HydrophobicContact CB-CD1 4.22Å; V118-I154 HydrophobicContact CG1-CD1 3.95Å; V118-I154 HydrophobicContact CG1-CG1 4.45Å; V118-I154 HydrophobicContact CG1-CG2 4.08Å
119I90.4Very high88.4Confident22 Ų2272.6 Ų72.611%0.11339%0.387CS..Hα-helixtrans-59.1-46.4176.9-68169.9000110.9V115 D116 A121 M122 E123 F141 R150 I154V115-I119 HydrophobicContact CG1-CD1 4.21Å; V115-I119 HydrophobicContact CG1-CG1 4.5Å; V115-I119 WeakPolarHBondContact O-CG1 3.34Å; V115-I119 PolarHBondContact O-N 3.18Å; D116-I119 PolarHBondContact O-N 3.01Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 3.21Å; I119-M122 WeakPolarHBondContact O-CB 3.17Å; I119-M122 PolarHBondContact O-N 2.94Å; I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.27Å; I119-F141 HydrophobicContact CG1-CE2 4.34Å; I119-F141 HydrophobicContact CG1-CZ 4.13Å; I119-F141 HydrophobicContact CG2-CZ 4.39Å; I119-R150 HydrophobicContact CD1-CB 4.38Å; I119-I154 HydrophobicContact CD1-CD1 4.29Å; I119-I154 HydrophobicContact CG1-CD1 3.45Å; I119-I154 VanDerWaalsContact CG1-CD1 3.45Å
120K90.6Very high88.3Confident147 Ų14772.1 Ų72.164%0.63939%0.388SS*.Hα-helixtrans-62.7-38.6176-73.1175.2-178.4178.20112.4D116 Q117 V118 E123 H124D116-K120 WeakPolarHBondContact O-CG 3.41Å; D116-K120 PolarHBondContact O-N 3.15Å; Q117-K120 PolarHBondContact O-N 3.02Å; V118-K120 PolarHBondContact O-N 3.37Å; K120-E123 PolarHBondContact O-N 2.9Å; K120-H124 PolarHBondContact O-N 3.21Å
121A91.9Very high88.3Confident30 Ų3074.2 Ų74.225%0.24839%0.394CS..Hα-helixtrans-67.4-37.7176.100000111.7I104 Q117 V118 I119 H124 L125I104-A121 HydrophobicContact CD1-CB 4.26Å; I104-A121 WeakPolarHBondContact CD1-O 3.43Å; I104-A121 HydrophobicContact CG1-CB 3.99Å; I104-A121 HydrophobicContact CG2-CB 3.98Å; Q117-A121 WeakPolarHBondContact O-CB 2.98Å; Q117-A121 PolarHBondContact O-N 2.97Å; V118-A121 PolarHBondContact O-N 2.89Å; V118-A121 VanDerWaalsContact O-N 3.16Å; I119-A121 VanDerWaalsContact C-N 3.33Å; I119-A121 PolarHBondContact O-N 3.21Å; A121-H124 WeakPolarHBondContact O-CB 3.37Å; A121-H124 PolarHBondContact O-N 3.07Å; A121-H124 VanDerWaalsContact O-N 3.17Å; A121-L125 PolarHBondContact O-N 3.14Å
122M90.5Very high88.1Confident0 Ų071.7 Ų71.70%038%0.379CS..Hα-helixtrans-64.1-41.5171.9-69.9-68.1-76.800111.5I104 W105 V118 I119 H124 L125 K126 F141 F142I104-M122 HydrophobicContact CG2-CG 3.95Å; I104-M122 HydrophobicContact CG2-SD 3.71Å; W105-M122 HydrophobicContact CZ2-CE 3.86Å; W105-M122 HydrophobicContact CZ2-SD 4.41Å; V118-M122 HydrophobicContact CG1-CG 4.35Å; V118-M122 VanDerWaalsContact O-CG 3.29Å; V118-M122 WeakPolarHBondContact O-CG 3.33Å; V118-M122 PolarHBondContact O-N 2.94Å; I119-M122 WeakPolarHBondContact O-CB 3.17Å; I119-M122 PolarHBondContact O-N 2.94Å; M122-H124 PolarHBondContact O-N 3.1Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.48Å; M122-L125 VanDerWaalsContact O-N 3.14Å; M122-L125 HydrophobicContact SD-CD2 4.17Å; M122-K126 PolarHBondContact O-N 3.32Å; M122-F141 HydrophobicContact CB-CD1 4.11Å; M122-F141 HydrophobicContact CB-CE1 3.48Å; M122-F141 VanDerWaalsContact CB-CE1 3.48Å; M122-F141 HydrophobicContact CB-CZ 4.02Å; M122-F141 HydrophobicContact CE-CB 4.03Å; M122-F141 HydrophobicContact CE-CD1 3.43Å; M122-F141 VanDerWaalsContact CE-CD1 3.43Å; M122-F141 HydrophobicContact CE-CE1 4.05Å; M122-F141 HydrophobicContact CE-CG 3.79Å; M122-F141 HydrophobicContact CG-CD1 4.29Å; M122-F141 HydrophobicContact CG-CE1 3.95Å; M122-F141 HydrophobicContact CG-CZ 4.26Å; M122-F142 HydrophobicContact CB-CE1 4.28Å; M122-F142 HydrophobicContact CB-CZ 4.19Å; M122-F142 HydrophobicContact CE-CE2 4.18Å; M122-F142 HydrophobicContact CE-CZ 4.08Å; M122-F142 WeakPolarHBondContact O-CE1 3.4Å; M122-F142 WeakPolarHBondContact O-CZ 3.24Å
123E90.8Very high88.1Confident98 Ų9870.7 Ų70.746%0.45837%0.368SS..Hα-helixtrans-60.3-34.5172.4-71.9177.6168.500112.1I119 K120 K126I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.27Å; K120-E123 PolarHBondContact O-N 2.9Å; E123-K126 WeakPolarHBondContact O-CB 3.32Å; E123-K126 PolarHBondContact O-N 3.05Å
124H91.7Very high88.2Confident107 Ų10768.8 Ų68.850%0.49536%0.357SS..Hα-helixtrans-68.4-41.4172.6-167.168.1000112.7K120 A121 M122 K126 C127 Q128K120-H124 PolarHBondContact O-N 3.21Å; A121-H124 WeakPolarHBondContact O-CB 3.37Å; A121-H124 PolarHBondContact O-N 3.07Å; A121-H124 VanDerWaalsContact O-N 3.17Å; M122-H124 PolarHBondContact O-N 3.1Å; H124-K126 PolarHBondContact O-N 2.82Å; H124-C127 PolarHBondContact O-N 2.94Å; H124-C127 VanDerWaalsContact O-N 3.1Å; H124-Q128 PolarHBondContact NE2-NE2 3.19Å
125L91.4Very high88.2Confident0 Ų066.2 Ų66.20%034%0.339CS..Hα-helixtrans-56.6-40.5175.1-177.268.6000111.4I100 E101 I104 A121 M122 C127 Q128 V129 M134I100-L125 HydrophobicContact CB-CD1 4.25Å; I100-L125 HydrophobicContact CG2-CD1 4Å; E101-L125 HydrophobicContact CB-CD1 3.93Å; E101-L125 HydrophobicContact CB-CD2 3.89Å; E101-L125 HydrophobicContact CG-CD2 3.85Å; I104-L125 HydrophobicContact CD1-CB 3.74Å; I104-L125 HydrophobicContact CD1-CD1 4.26Å; I104-L125 HydrophobicContact CD1-CD2 4.38Å; I104-L125 HydrophobicContact CD1-CG 4.34Å; A121-L125 PolarHBondContact O-N 3.14Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.48Å; M122-L125 VanDerWaalsContact O-N 3.14Å; M122-L125 HydrophobicContact SD-CD2 4.17Å; L125-C127 PolarHBondContact O-N 3.38Å; L125-Q128 PolarHBondContact O-N 3.03Å; L125-V129 HydrophobicContact CD1-CB 4.2Å; L125-V129 HydrophobicContact CD1-CG2 3.7Å; L125-V129 PolarHBondContact O-N 3.18Å; L125-M134 HydrophobicContact CG-CE 4.08Å
126K89.1Confident88Confident139 Ų13968.7 Ų68.760%0.60435%0.35SS*.Hα-helixtrans-56.7-32.8177.9-169.9179.8177.3-179.80113.3M122 E123 H124 F142M122-K126 PolarHBondContact O-N 3.32Å; E123-K126 WeakPolarHBondContact O-CB 3.32Å; E123-K126 PolarHBondContact O-N 3.05Å; H124-K126 PolarHBondContact O-N 2.82Å; K126-F142 HydrophobicContact CB-CE1 3.95Å; K126-F142 HydrophobicContact CB-CZ 3.95Å; K126-F142 HydrophobicContact CD-CD1 4.26Å; K126-F142 HydrophobicContact CD-CE1 4.26Å; K126-F142 HydrophobicContact CG-CE1 4.43Å
127C89.2Confident88.1Confident112 Ų11264.5 Ų64.576%0.75733%0.328SS*.Hα-helixtrans-80.3-22.6179.8-66.10000113.2H124 L125H124-C127 PolarHBondContact O-N 2.94Å; H124-C127 VanDerWaalsContact O-N 3.1Å; L125-C127 PolarHBondContact O-N 3.38Å
128Q89.3Confident88.1Confident94 Ų9459.3 Ų59.344%0.43930%0.304SS..Hα-helixtrans-102.3-38.2-172.5-68.1-173.9-18.200113.5H124 L125H124-Q128 PolarHBondContact NE2-NE2 3.19Å; L125-Q128 PolarHBondContact O-N 3.03Å
129V86.5Confident88.1Confident12 Ų1261.6 Ų61.67%0.07331%0.314CS..SBendtrans-110127.9-175.2-177.90000108.7T98 L125 K133 M134T98-V129 HydrophobicContact CG2-CG2 3.91Å; L125-V129 HydrophobicContact CD1-CB 4.2Å; L125-V129 HydrophobicContact CD1-CG2 3.7Å; L125-V129 PolarHBondContact O-N 3.18Å; V129-K133 HydrophobicContact CG1-CB 3.87Å; V129-M134 HydrophobicContact CB-CE 4.09Å; V129-M134 HydrophobicContact CB-CG 4.37Å; V129-M134 HydrophobicContact CG1-CG 3.92Å; V129-M134 WeakPolarHBondContact O-CE 3.44Å
130P85.4Confident88Confident72 Ų7264.6 Ų64.647%0.46833%0.328SS..  trans-57.7142172.5-23.933.7000110.9S132 K133P130-S132 PolarHBondContact O-N 2.98Å; P130-S132 VanDerWaalsContact O-N 3.07Å; P130-K133 PolarHBondContact O-N 2.86Å
131F84.3Confident88.1Confident114 Ų11457.6 Ų57.650%0.530%0.297SS..G310 helixtrans-51.2-37.2-179.5-174.3-95.9000113.2K133 M134 Q139 F142F131-K133 PolarHBondContact O-N 2.81Å; F131-M134 HydrophobicContact CD2-SD 4.4Å; F131-M134 PolarHBondContact O-N 3.46Å; F131-Q139 HydrophobicContact CD1-CG 4.26Å; F131-Q139 HydrophobicContact CD2-CG 4.3Å; F131-Q139 HydrophobicContact CE1-CB 4.18Å; F131-Q139 HydrophobicContact CE1-CG 3.84Å; F131-Q139 HydrophobicContact CE2-CB 3.92Å; F131-Q139 HydrophobicContact CE2-CG 3.89Å; F131-Q139 HydrophobicContact CG-CG 4.49Å; F131-Q139 HydrophobicContact CZ-CB 3.57Å; F131-Q139 HydrophobicContact CZ-CG 3.64Å; F131-Q139 PolarHBondContact O-NE2 3.41Å; F131-F142 HydrophobicContact CE2-CB 4.09Å; F131-F142 HydrophobicContact CE2-CD2 4.47Å
132S78.6Confident88Confident70 Ų7057.5 Ų57.549%0.4929%0.291SS..G310 helixtrans-66.1-18.417855.50000114.8P130 F164P130-S132 PolarHBondContact O-N 2.98Å; P130-S132 VanDerWaalsContact O-N 3.07Å; S132-F164 WeakPolarHBondContact O-CE2 3.36Å; S132-F164 VanDerWaalsContact O-CZ 3.26Å; S132-F164 WeakPolarHBondContact O-CZ 3.37Å
133K82.3Confident88Confident117 Ų11761 Ų6151%0.50932%0.32SS..G310 helixtrans-103.95.8-179.5-65.7-166.9175.3-170.20113.9V129 P130 F131 F164V129-K133 HydrophobicContact CG1-CB 3.87Å; P130-K133 PolarHBondContact O-N 2.86Å; F131-K133 PolarHBondContact O-N 2.81Å; K133-F164 VanDerWaalsContact C-CE2 3.42Å
134M86.3Confident88Confident2 Ų258.7 Ų58.71%0.0131%0.311CS..SBendtrans-89.8155.2175.4-63.6173.917400111.4L125 V129 F131 Q139 F142 F164L125-M134 HydrophobicContact CG-CE 4.08Å; V129-M134 HydrophobicContact CB-CE 4.09Å; V129-M134 HydrophobicContact CB-CG 4.37Å; V129-M134 HydrophobicContact CG1-CG 3.92Å; V129-M134 WeakPolarHBondContact O-CE 3.44Å; F131-M134 HydrophobicContact CD2-SD 4.4Å; F131-M134 PolarHBondContact O-N 3.46Å; M134-Q139 HydrophobicContact CB-CG 4.17Å; M134-Q139 PolarHBondContact O-NE2 2.84Å; M134-F142 HydrophobicContact CE-CE2 3.92Å; M134-F142 HydrophobicContact CE-CZ 4.5Å; M134-F142 HydrophobicContact SD-CD2 3.81Å; M134-F142 HydrophobicContact SD-CE2 3.43Å; M134-F142 WeakPolarHBondContact SD-CE2 3.45Å; M134-F142 HydrophobicContact SD-CZ 4.5Å; M134-F164 WeakPolarHBondContact O-CD2 3.44Å; M134-F164 VanDerWaalsContact O-CE2 3.26Å; M134-F164 WeakPolarHBondContact O-CE2 3.5Å
135S88.1Confident87.7Confident0 Ų060.9 Ų60.90%033%0.326CS..  trans-62.6159171.775.20000112.3E101 I137 S138 Q139 R163E101-S135 WeakPolarHBondContact OE1-CB 3.48Å; E101-S135 PolarHBondContact OE1-N 3.07Å; E101-S135 PolarHBondContact OE1-OG 3.35Å; E101-S135 PolarHBondContact OE2-N 3.32Å; S135-I137 PolarHBondContact O-N 3.33Å; S135-S138 PolarHBondContact O-N 2.82Å; S135-S138 VanDerWaalsContact O-N 3.15Å; S135-S138 PolarHBondContact OG-N 2.88Å; S135-S138 PolarHBondContact OG-OG 2.86Å; S135-Q139 WeakPolarHBondContact O-CG 3.45Å; S135-Q139 PolarHBondContact O-N 2.8Å; S135-R163 WeakPolarHBondContact CB-O 3.35Å
136L84.8Confident87.5Confident89 Ų8965.3 Ų65.347%0.46635%0.35SS..Hα-helixtrans-57.2-36.8177.9-177.963.8000112.1Q139 Q140L136-Q139 PolarHBondContact O-N 2.85Å; L136-Q140 HydrophobicContact CD1-CG 4.5Å; L136-Q140 HydrophobicContact CG-CG 4.5Å; L136-Q140 WeakPolarHBondContact O-CB 3.44Å; L136-Q140 VanDerWaalsContact O-CG 3.28Å; L136-Q140 WeakPolarHBondContact O-CG 3.42Å; L136-Q140 PolarHBondContact O-N 2.85Å
137I89.1Confident87.2Confident19 Ų1960.9 Ų60.910%0.09734%0.343CS..Hα-helixtrans-66.2-44.6-179.9-62.6170.5000110W105 S135 Q140 F141 F153 N157 N160 L162W105-I137 HydrophobicContact CH2-CG2 3.56Å; W105-I137 HydrophobicContact CZ2-CB 4.47Å; W105-I137 HydrophobicContact CZ2-CG2 3.47Å; W105-I137 VanDerWaalsContact CZ2-CG2 3.47Å; W105-I137 HydrophobicContact CZ3-CG2 4.29Å; S135-I137 PolarHBondContact O-N 3.33Å; I137-Q140 PolarHBondContact O-N 3.25Å; I137-F141 WeakPolarHBondContact O-CB 3.45Å; I137-F141 PolarHBondContact O-N 2.98Å; I137-F153 HydrophobicContact CG2-CE1 3.83Å; I137-F153 HydrophobicContact CG2-CZ 4.13Å; I137-F153 WeakPolarHBondContact O-CE1 3.45Å; I137-N157 HydrophobicContact CG2-CB 3.78Å; I137-N160 HydrophobicContact CD1-CB 3.65Å; I137-L162 HydrophobicContact CB-CD2 4.33Å; I137-L162 HydrophobicContact CD1-CD2 4.04Å
138S90.2Very high87.1Confident0 Ų063.2 Ų63.20%034%0.341CS..Hα-helixtrans-65-40.6175.5-65.20000111.9E101 W105 S135 F141 F142E101-S138 WeakPolarHBondContact OE1-CB 3.42Å; E101-S138 PolarHBondContact OE1-OG 3.06Å; W105-S138 PolarHBondContact NE1-OG 2.88Å; S135-S138 PolarHBondContact O-N 2.82Å; S135-S138 VanDerWaalsContact O-N 3.15Å; S135-S138 PolarHBondContact OG-N 2.88Å; S135-S138 PolarHBondContact OG-OG 2.86Å; S138-F141 WeakPolarHBondContact O-CB 3.45Å; S138-F141 PolarHBondContact O-N 2.81Å; S138-F142 WeakPolarHBondContact O-CD2 3.33Å; S138-F142 PolarHBondContact O-N 3.45Å; S138-F142 VanDerWaalsContact O-N 3.07Å
139Q88.8Confident87.1Confident49 Ų4960.3 Ų60.323%0.22933%0.333CS..Hα-helixtrans-61.2-44.6174.8-70.5178.72.400112F131 M134 S135 L136 F142 A143F131-Q139 HydrophobicContact CD1-CG 4.26Å; F131-Q139 HydrophobicContact CD2-CG 4.3Å; F131-Q139 HydrophobicContact CE1-CB 4.18Å; F131-Q139 HydrophobicContact CE1-CG 3.84Å; F131-Q139 HydrophobicContact CE2-CB 3.92Å; F131-Q139 HydrophobicContact CE2-CG 3.89Å; F131-Q139 HydrophobicContact CG-CG 4.49Å; F131-Q139 HydrophobicContact CZ-CB 3.57Å; F131-Q139 HydrophobicContact CZ-CG 3.64Å; F131-Q139 PolarHBondContact O-NE2 3.41Å; M134-Q139 HydrophobicContact CB-CG 4.17Å; M134-Q139 PolarHBondContact O-NE2 2.84Å; S135-Q139 WeakPolarHBondContact O-CG 3.45Å; S135-Q139 PolarHBondContact O-N 2.8Å; L136-Q139 PolarHBondContact O-N 2.85Å; Q139-F142 PolarHBondContact O-N 3.34Å; Q139-A143 PolarHBondContact O-N 2.92Å; Q139-A143 VanDerWaalsContact O-N 3.09Å
140Q90Very high87.2Confident85 Ų8562.1 Ų62.140%0.39734%0.339SS..Hα-helixtrans-61.9-41.9175.1-76175.7-7.700111.8L136 I137 F142 A143 L144 F153L136-Q140 HydrophobicContact CD1-CG 4.5Å; L136-Q140 HydrophobicContact CG-CG 4.5Å; L136-Q140 WeakPolarHBondContact O-CB 3.44Å; L136-Q140 VanDerWaalsContact O-CG 3.28Å; L136-Q140 WeakPolarHBondContact O-CG 3.42Å; L136-Q140 PolarHBondContact O-N 2.85Å; I137-Q140 PolarHBondContact O-N 3.25Å; Q140-F142 VanDerWaalsContact C-N 3.32Å; Q140-F142 PolarHBondContact O-N 3.1Å; Q140-A143 WeakPolarHBondContact O-CB 3.2Å; Q140-A143 PolarHBondContact O-N 2.89Å; Q140-A143 VanDerWaalsContact O-N 3.13Å; Q140-L144 PolarHBondContact O-N 2.75Å; Q140-F153 HydrophobicContact CB-CE1 4.46Å; Q140-F153 HydrophobicContact CB-CE2 4.02Å; Q140-F153 HydrophobicContact CB-CZ 3.58Å
141F91.3Very high87.4Confident1 Ų160.4 Ų60.40%0.00433%0.328CS..Hα-helixtrans-56.5-45.5174.3171.5-94.4000111.8I119 M122 I137 S138 A143 L144 R150 F153 I154I119-F141 HydrophobicContact CG1-CE2 4.34Å; I119-F141 HydrophobicContact CG1-CZ 4.13Å; I119-F141 HydrophobicContact CG2-CZ 4.39Å; M122-F141 HydrophobicContact CB-CD1 4.11Å; M122-F141 HydrophobicContact CB-CE1 3.48Å; M122-F141 VanDerWaalsContact CB-CE1 3.48Å; M122-F141 HydrophobicContact CB-CZ 4.02Å; M122-F141 HydrophobicContact CE-CB 4.03Å; M122-F141 HydrophobicContact CE-CD1 3.43Å; M122-F141 VanDerWaalsContact CE-CD1 3.43Å; M122-F141 HydrophobicContact CE-CE1 4.05Å; M122-F141 HydrophobicContact CE-CG 3.79Å; M122-F141 HydrophobicContact CG-CD1 4.29Å; M122-F141 HydrophobicContact CG-CE1 3.95Å; M122-F141 HydrophobicContact CG-CZ 4.26Å; I137-F141 WeakPolarHBondContact O-CB 3.45Å; I137-F141 PolarHBondContact O-N 2.98Å; S138-F141 WeakPolarHBondContact O-CB 3.45Å; S138-F141 PolarHBondContact O-N 2.81Å; F141-A143 VanDerWaalsContact C-N 3.28Å; F141-A143 PolarHBondContact O-N 2.95Å; F141-L144 WeakPolarHBondContact O-CB 3.47Å; F141-L144 PolarHBondContact O-N 2.87Å; F141-R150 HydrophobicContact CD2-CB 4.39Å; F141-R150 HydrophobicContact CD2-CG 4.28Å; F141-R150 HydrophobicContact CE2-CB 3.67Å; F141-R150 HydrophobicContact CE2-CG 3.77Å; F141-R150 HydrophobicContact CZ-CB 4.25Å; F141-R150 HydrophobicContact CZ-CG 4.12Å; F141-F153 HydrophobicContact CB-CD1 3.93Å; F141-F153 HydrophobicContact CB-CE1 3.77Å; F141-F153 HydrophobicContact CD2-CD1 4.05Å; F141-I154 HydrophobicContact CD2-CD1 4.31Å; F141-I154 HydrophobicContact CD2-CG1 4.01Å; F141-I154 HydrophobicContact CE2-CD1 3.57Å; F141-I154 HydrophobicContact CE2-CG1 3.77Å; F141-I154 HydrophobicContact CZ-CD1 4.23Å
142F90.4Very high87.6Confident27 Ų2758.4 Ų58.412%0.11833%0.328CS..Hα-helixtrans-72.3-18.9179-67.4-57.3000114.1M122 K126 F131 M134 S138 Q139 Q140M122-F142 HydrophobicContact CB-CE1 4.28Å; M122-F142 HydrophobicContact CB-CZ 4.19Å; M122-F142 HydrophobicContact CE-CE2 4.18Å; M122-F142 HydrophobicContact CE-CZ 4.08Å; M122-F142 WeakPolarHBondContact O-CE1 3.4Å; M122-F142 WeakPolarHBondContact O-CZ 3.24Å; K126-F142 HydrophobicContact CB-CE1 3.95Å; K126-F142 HydrophobicContact CB-CZ 3.95Å; K126-F142 HydrophobicContact CD-CD1 4.26Å; K126-F142 HydrophobicContact CD-CE1 4.26Å; K126-F142 HydrophobicContact CG-CE1 4.43Å; F131-F142 HydrophobicContact CE2-CB 4.09Å; F131-F142 HydrophobicContact CE2-CD2 4.47Å; M134-F142 HydrophobicContact CE-CE2 3.92Å; M134-F142 HydrophobicContact CE-CZ 4.5Å; M134-F142 HydrophobicContact SD-CD2 3.81Å; M134-F142 HydrophobicContact SD-CE2 3.43Å; M134-F142 WeakPolarHBondContact SD-CE2 3.45Å; M134-F142 HydrophobicContact SD-CZ 4.5Å; S138-F142 WeakPolarHBondContact O-CD2 3.33Å; S138-F142 PolarHBondContact O-N 3.45Å; S138-F142 VanDerWaalsContact O-N 3.07Å; Q139-F142 PolarHBondContact O-N 3.34Å; Q140-F142 VanDerWaalsContact C-N 3.32Å; Q140-F142 PolarHBondContact O-N 3.1Å
143A89.7Confident88.2Confident74 Ų7456.6 Ų56.661%0.61231%0.312SS*.Hα-helixtrans-74.4-15.6172.600000112.8Q139 Q140 F141Q139-A143 PolarHBondContact O-N 2.92Å; Q139-A143 VanDerWaalsContact O-N 3.09Å; Q140-A143 WeakPolarHBondContact O-CB 3.2Å; Q140-A143 PolarHBondContact O-N 2.89Å; Q140-A143 VanDerWaalsContact O-N 3.13Å; F141-A143 VanDerWaalsContact C-N 3.28Å; F141-A143 PolarHBondContact O-N 2.95Å
144L91.2Very high88.6Confident50 Ų5051.2 Ų51.226%0.26229%0.288SS..  trans-82.5128.2175.9-59.3171.9000110.6Q140 F141 R150 F153Q140-L144 PolarHBondContact O-N 2.75Å; F141-L144 WeakPolarHBondContact O-CB 3.47Å; F141-L144 PolarHBondContact O-N 2.87Å; L144-R150 HydrophobicContact CB-CG 3.96Å; L144-R150 VanDerWaalsContact O-CZ 3.28Å; L144-R150 PolarHBondContact O-NE 2.99Å; L144-R150 PolarHBondContact O-NH2 2.87Å; L144-F153 HydrophobicContact CD1-CB 3.53Å; L144-F153 HydrophobicContact CD1-CD1 4.36Å; L144-F153 HydrophobicContact CD1-CD2 3.75Å; L144-F153 HydrophobicContact CD1-CG 3.62Å
145N86Confident88.6Confident152 Ų15256.8 Ų56.881%0.81331%0.314SS*.  trans-92.4-30179-68-29.3000113.4
146D86Confident88.7Confident94 Ų9459.9 Ų59.950%0.50334%0.34SS..  trans-85.5135.2-175.2-178.122.1000112K148 A149 R150D146-K148 PolarHBondContact O-N 3.34Å; D146-K148 PolarHBondContact OD1-N 3.39Å; D146-A149 HydrophobicContact CB-CB 3.99Å; D146-A149 PolarHBondContact O-N 2.79Å; D146-R150 WeakPolarHBondContact O-CG 3.46Å; D146-R150 PolarHBondContact O-N 3.26Å
147G84.3Confident88.9Confident45 Ų4556.7 Ų56.746%0.46432%0.324SS..Hα-helixtrans-63.5-38.1179.500000112.9R150 S151G147-R150 PolarHBondContact O-N 3.37Å; G147-S151 PolarHBondContact O-N 2.94Å; G147-S151 VanDerWaalsContact O-N 3.08Å; G147-S151 PolarHBondContact O-OG 3.27Å
148K86.3Confident88.6Confident161 Ų16159.9 Ų59.970%0.734%0.337SS*.Hα-helixtrans-69.9-36.4177.1-68.6-177.8179.1179.40112.5D146 S151 S152D146-K148 PolarHBondContact O-N 3.34Å; D146-K148 PolarHBondContact OD1-N 3.39Å; K148-S151 PolarHBondContact O-OG 2.8Å; K148-S152 WeakPolarHBondContact O-CB 3.37Å; K148-S152 PolarHBondContact O-N 2.84Å; K148-S152 VanDerWaalsContact O-N 3.13Å; K148-S152 PolarHBondContact O-OG 2.87Å
149A89.1Confident88.3Confident34 Ų3464.3 Ų64.328%0.28137%0.368SS..Hα-helixtrans-66-40.9174.400000111D146 S152 F153D146-A149 HydrophobicContact CB-CB 3.99Å; D146-A149 PolarHBondContact O-N 2.79Å; A149-S152 PolarHBondContact O-N 2.81Å; A149-F153 VanDerWaalsContact O-CB 3.25Å; A149-F153 WeakPolarHBondContact O-CB 3.4Å; A149-F153 PolarHBondContact O-N 2.82Å
150R89.9Confident88.1Confident50 Ų5065.5 Ų65.519%0.18938%0.376CS..Hα-helixtrans-61.1-45.2175.8-78.2-179.5-176.7176.95.2112.8I119 F141 L144 D146 G147 F153 I154I119-R150 HydrophobicContact CD1-CB 4.38Å; F141-R150 HydrophobicContact CD2-CB 4.39Å; F141-R150 HydrophobicContact CD2-CG 4.28Å; F141-R150 HydrophobicContact CE2-CB 3.67Å; F141-R150 HydrophobicContact CE2-CG 3.77Å; F141-R150 HydrophobicContact CZ-CB 4.25Å; F141-R150 HydrophobicContact CZ-CG 4.12Å; L144-R150 HydrophobicContact CB-CG 3.96Å; L144-R150 VanDerWaalsContact O-CZ 3.28Å; L144-R150 PolarHBondContact O-NE 2.99Å; L144-R150 PolarHBondContact O-NH2 2.87Å; D146-R150 WeakPolarHBondContact O-CG 3.46Å; D146-R150 PolarHBondContact O-N 3.26Å; G147-R150 PolarHBondContact O-N 3.37Å; R150-F153 PolarHBondContact O-N 2.89Å; R150-I154 WeakPolarHBondContact O-CG1 3.25Å; R150-I154 PolarHBondContact O-N 3.49Å
151S88Confident87.7Confident35 Ų3566.7 Ų66.725%0.24539%0.389CS..Hα-helixtrans-64.1-45.7178.354.80000111.8G147 K148 F153 I154 E155G147-S151 PolarHBondContact O-N 2.94Å; G147-S151 VanDerWaalsContact O-N 3.08Å; G147-S151 PolarHBondContact O-OG 3.27Å; K148-S151 PolarHBondContact O-OG 2.8Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.3Å; S151-I154 PolarHBondContact O-N 3.18Å; S151-E155 PolarHBondContact O-N 3.03Å; S151-E155 VanDerWaalsContact O-N 3.14Å
152S89.7Confident87.3Confident72 Ų7267.9 Ų67.950%0.50340%0.395SS..Hα-helixtrans-61.4-37.5175.9-52.20000112.1K148 A149 E155 A156K148-S152 WeakPolarHBondContact O-CB 3.37Å; K148-S152 PolarHBondContact O-N 2.84Å; K148-S152 VanDerWaalsContact O-N 3.13Å; K148-S152 PolarHBondContact O-OG 2.87Å; A149-S152 PolarHBondContact O-N 2.81Å; S152-E155 PolarHBondContact O-N 3.35Å; S152-A156 WeakPolarHBondContact O-CB 3.3Å; S152-A156 PolarHBondContact O-N 2.85Å
153F91.1Very high86.7Confident33 Ų3375.1 Ų75.115%0.14542%0.421CS..Hα-helixtrans-67.1-40.2178.1-175-89000112.4W105 I137 Q140 F141 L144 A149 R150 S151 A156 N157W105-F153 HydrophobicContact CH2-CE1 4.35Å; I137-F153 HydrophobicContact CG2-CE1 3.83Å; I137-F153 HydrophobicContact CG2-CZ 4.13Å; I137-F153 WeakPolarHBondContact O-CE1 3.45Å; Q140-F153 HydrophobicContact CB-CE1 4.46Å; Q140-F153 HydrophobicContact CB-CE2 4.02Å; Q140-F153 HydrophobicContact CB-CZ 3.58Å; F141-F153 HydrophobicContact CB-CD1 3.93Å; F141-F153 HydrophobicContact CB-CE1 3.77Å; F141-F153 HydrophobicContact CD2-CD1 4.05Å; L144-F153 HydrophobicContact CD1-CB 3.53Å; L144-F153 HydrophobicContact CD1-CD1 4.36Å; L144-F153 HydrophobicContact CD1-CD2 3.75Å; L144-F153 HydrophobicContact CD1-CG 3.62Å; A149-F153 VanDerWaalsContact O-CB 3.25Å; A149-F153 WeakPolarHBondContact O-CB 3.4Å; A149-F153 PolarHBondContact O-N 2.82Å; R150-F153 PolarHBondContact O-N 2.89Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.3Å; F153-A156 PolarHBondContact O-N 3.17Å; F153-N157 WeakPolarHBondContact CD2-ND2 3.38Å; F153-N157 HydrophobicContact CE1-CB 4.33Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.46Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.47Å; F153-N157 VanDerWaalsContact CZ-ND2 3.27Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.37Å; F153-N157 WeakPolarHBondContact O-CB 3.15Å; F153-N157 PolarHBondContact O-N 2.65Å; F153-N157 PolarHBondContact O-ND2 2.81Å
154I89.5Confident86.1Confident4 Ų472.6 Ų72.62%0.02140%0.396CS..Hα-helixtrans-62.6-47.2175.3-69.6165.7000109.9A108 V115 V118 I119 F141 R150 S151 A156 N157 K158A108-I154 HydrophobicContact CB-CG2 4.25Å; V115-I154 HydrophobicContact CG1-CB 4.27Å; V115-I154 HydrophobicContact CG1-CD1 3.93Å; V115-I154 HydrophobicContact CG1-CG2 4.39Å; V118-I154 HydrophobicContact CB-CD1 4.22Å; V118-I154 HydrophobicContact CG1-CD1 3.95Å; V118-I154 HydrophobicContact CG1-CG1 4.45Å; V118-I154 HydrophobicContact CG1-CG2 4.08Å; I119-I154 HydrophobicContact CD1-CD1 4.29Å; I119-I154 HydrophobicContact CG1-CD1 3.45Å; I119-I154 VanDerWaalsContact CG1-CD1 3.45Å; F141-I154 HydrophobicContact CD2-CD1 4.31Å; F141-I154 HydrophobicContact CD2-CG1 4.01Å; F141-I154 HydrophobicContact CE2-CD1 3.57Å; F141-I154 HydrophobicContact CE2-CG1 3.77Å; F141-I154 HydrophobicContact CZ-CD1 4.23Å; R150-I154 WeakPolarHBondContact O-CG1 3.25Å; R150-I154 PolarHBondContact O-N 3.49Å; S151-I154 PolarHBondContact O-N 3.18Å; I154-A156 VanDerWaalsContact C-N 3.28Å; I154-A156 PolarHBondContact O-N 2.76Å; I154-N157 PolarHBondContact O-N 2.77Å; I154-K158 WeakPolarHBondContact O-CB 3.35Å; I154-K158 PolarHBondContact O-N 2.9Å
155E87.5Confident85.5Confident118 Ų11871.4 Ų71.455%0.55139%0.393SS*.Hα-helixtrans-61-37.6179.4-72.6-173.517000112.9V115 S151 S152V115-E155 HydrophobicContact CG2-CG 4.37Å; S151-E155 PolarHBondContact O-N 3.03Å; S151-E155 VanDerWaalsContact O-N 3.14Å; S152-E155 PolarHBondContact O-N 3.35Å
156A90.1Very high85.6Confident66 Ų6664.2 Ų64.255%0.54535%0.354SS..Hα-helixtrans-73.6-28.617800000113.6S152 F153 I154S152-A156 WeakPolarHBondContact O-CB 3.3Å; S152-A156 PolarHBondContact O-N 2.85Å; F153-A156 PolarHBondContact O-N 3.17Å; I154-A156 VanDerWaalsContact C-N 3.28Å; I154-A156 PolarHBondContact O-N 2.76Å
157N88.1Confident85.9Confident22 Ų2261.9 Ų61.912%0.11834%0.344CS..Hα-helixtrans-110-5.5-172.2-69.9-76.6000115.1W105 I137 F153 I154 S159 N160W105-N157 HydrophobicContact CH2-CB 4.2Å; W105-N157 HydrophobicContact CZ3-CB 4.1Å; I137-N157 HydrophobicContact CG2-CB 3.78Å; F153-N157 WeakPolarHBondContact CD2-ND2 3.38Å; F153-N157 HydrophobicContact CE1-CB 4.33Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.46Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.47Å; F153-N157 VanDerWaalsContact CZ-ND2 3.27Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.37Å; F153-N157 WeakPolarHBondContact O-CB 3.15Å; F153-N157 PolarHBondContact O-N 2.65Å; F153-N157 PolarHBondContact O-ND2 2.81Å; I154-N157 PolarHBondContact O-N 2.77Å; N157-S159 PolarHBondContact O-N 2.88Å; N157-S159 VanDerWaalsContact O-N 3.13Å; N157-N160 WeakPolarHBondContact O-CB 3.5Å; N157-N160 PolarHBondContact O-N 3.44Å; N157-N160 PolarHBondContact OD1-ND2 2.87Å
158K84.3Confident86.4Confident86 Ų8659.8 Ų59.837%0.37432%0.322SS..THydrogen-bonded Turntrans-55.9-31.8-177.761.9-176.6176-178.30114.4A108 N109 I154A108-K158 HydrophobicContact CB-CB 4.22Å; N109-K158 PolarHBondContact ND2-O 3.31Å; N109-K158 VanDerWaalsContact OD1-C 3.31Å; N109-K158 WeakPolarHBondContact OD1-CB 3.06Å; N109-K158 PolarHBondContact OD1-O 2.87Å; N109-K158 VanDerWaalsContact OD1-O 3.09Å; I154-K158 WeakPolarHBondContact O-CB 3.35Å; I154-K158 PolarHBondContact O-N 2.9Å
159S83.1Confident86.9Confident93 Ų9353.5 Ų53.565%0.6530%0.297SS*.THydrogen-bonded Turntrans-88.4-4.9177.955.50000114.2N157N157-S159 PolarHBondContact O-N 2.88Å; N157-S159 VanDerWaalsContact O-N 3.13Å
160N84.6Confident87.2Confident74 Ų7452.3 Ų52.340%0.39629%0.286SS..SBendtrans-77.1138.1-174.8-71.7-15.3000110.7I137 N157 L162I137-N160 HydrophobicContact CD1-CB 3.65Å; N157-N160 WeakPolarHBondContact O-CB 3.5Å; N157-N160 PolarHBondContact O-N 3.44Å; N157-N160 PolarHBondContact OD1-ND2 2.87Å; N160-L162 PolarHBondContact O-N 2.85Å; N160-L162 VanDerWaalsContact O-N 3.11Å
161V82.3Confident87.5Confident110 Ų11051.2 Ų51.267%0.66728%0.284SS*.  trans-67.8114.8174.2-179.70000107.7R163V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 3.07Å
162L82.8Confident87.8Confident26 Ų2650.2 Ų50.214%0.13628%0.278CS..  trans-57.7128.5172.4-61.1-179.1000108.8I97 E101 W105 I137 N160I97-L162 HydrophobicContact CD1-CB 3.36Å; I97-L162 WeakPolarHBondContact CD1-O 3.38Å; I97-L162 HydrophobicContact CG1-CB 4.39Å; I97-L162 HydrophobicContact CG2-CD1 4.09Å; E101-L162 HydrophobicContact CG-CD1 4.24Å; W105-L162 HydrophobicContact CB-CD1 3.87Å; W105-L162 HydrophobicContact CB-CD2 4.27Å; W105-L162 HydrophobicContact CB-CG 4.31Å; W105-L162 HydrophobicContact CD2-CD2 4.04Å; W105-L162 HydrophobicContact CG-CD1 3.89Å; W105-L162 HydrophobicContact CG-CD2 3.7Å; W105-L162 HydrophobicContact CG-CG 4.22Å; I137-L162 HydrophobicContact CB-CD2 4.33Å; I137-L162 HydrophobicContact CD1-CD2 4.04Å; N160-L162 PolarHBondContact O-N 2.85Å; N160-L162 VanDerWaalsContact O-N 3.11Å
163R77.8Confident88Confident178 Ų17849.8 Ų49.867%0.67227%0.272SS*.  trans-129.1139.4174.4-66.5-178.2-173.7178.12.1109.6S135 V161S135-R163 WeakPolarHBondContact CB-O 3.35Å; V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 3.07Å
164F76.9Confident88.1Confident21 Ų2148.3 Ų48.39%0.09227%0.266CS..  trans-102.3106.6168.1-163.9-103.5000107G94 D95 I97 S132 K133 M134 Q193G94-F164 WeakPolarHBondContact CA-O 3.24Å; D95-F164 HydrophobicContact CB-CD1 3.62Å; D95-F164 HydrophobicContact CB-CE1 3.68Å; D95-F164 WeakPolarHBondContact O-CB 3.38Å; I97-F164 HydrophobicContact CG1-CB 4.25Å; S132-F164 WeakPolarHBondContact O-CE2 3.36Å; S132-F164 VanDerWaalsContact O-CZ 3.26Å; S132-F164 WeakPolarHBondContact O-CZ 3.37Å; K133-F164 VanDerWaalsContact C-CE2 3.42Å; M134-F164 WeakPolarHBondContact O-CD2 3.44Å; M134-F164 VanDerWaalsContact O-CE2 3.26Å; M134-F164 WeakPolarHBondContact O-CE2 3.5Å; F164-Q193 HydrophobicContact CD1-CG 4.04Å; F164-Q193 HydrophobicContact CE1-CB 4.22Å; F164-Q193 HydrophobicContact CE1-CG 3.24Å; F164-Q193 HydrophobicContact CZ-CG 3.8Å
165S78.9Confident88Confident26 Ų2652.5 Ų52.518%0.18228%0.284CS..  trans-87.4118.1-169.8167.20000110.6D76 T167 Q193D76-S165 WeakPolarHBondContact CB-OG 3.48Å; S165-T167 PolarHBondContact O-N 2.83Å; S165-T167 PolarHBondContact OG-OG1 3.26Å; S165-Q193 VanDerWaalsContact O-CD 3.32Å; S165-Q193 PolarHBondContact O-NE2 3.32Å
166A86.7Confident87.9Confident1 Ų150.4 Ų50.41%0.00827%0.273CS..  trans-74.361.1179.600000113.4D76 L92 I168 T191 Q193D76-A166 WeakPolarHBondContact CA-O 3.5Å; D76-A166 HydrophobicContact CB-CB 4.48Å; L92-A166 HydrophobicContact CB-CB 3.94Å; A166-I168 PolarHBondContact O-N 2.87Å; A166-I168 VanDerWaalsContact O-N 3.17Å; A166-T191 HydrophobicContact CB-CG2 4.34Å; A166-T191 WeakPolarHBondContact O-CG2 3.4Å; A166-Q193 VanDerWaalsContact C-OE1 3.25Å
167T92.2Very high87.6Confident45 Ų4548 Ų4828%0.27625%0.253SS..  trans-56.6117-171.5-56.60000112.5L75 S165 T191 E192 Q193L75-T167 CarbonylContact O-C 3.56Å; L75-T167 WeakPolarHBondContact O-CA 3.47Å; S165-T167 PolarHBondContact O-N 2.83Å; S165-T167 PolarHBondContact OG-OG1 3.26Å; T167-T191 CarbonylContact O-C 3.58Å; T167-T191 WeakPolarHBondContact O-CA 3.32Å; T167-T191 WeakPolarHBondContact O-CB 3.45Å; T167-E192 PolarHBondContact O-N 2.99Å; T167-Q193 VanDerWaalsContact N-OE1 3.16Å
168I95.7Very high87.2Confident1 Ų151.4 Ų51.41%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-74.3128.1-177.5-57.4164.9000109.9S53 A73 L75 L78 L92 A166 L171 A189 G190 T191S53-I168 WeakPolarHBondContact CB-O 3.36Å; S53-I168 PolarHBondContact OG-O 3.32Å; A73-I168 HydrophobicContact CB-CB 4.07Å; A73-I168 HydrophobicContact CB-CD1 3.93Å; A73-I168 HydrophobicContact CB-CG2 3.65Å; L75-I168 PolarHBondContact O-N 2.91Å; L78-I168 HydrophobicContact CD2-CD1 3.79Å; L78-I168 HydrophobicContact CG-CD1 3.68Å; L92-I168 HydrophobicContact CD1-CD1 3.65Å; L92-I168 HydrophobicContact CD1-CG1 3.46Å; L92-I168 VanDerWaalsContact CD1-CG1 3.46Å; L92-I168 HydrophobicContact CG-CD1 4.25Å; L92-I168 HydrophobicContact CG-CG1 4.46Å; A166-I168 PolarHBondContact O-N 2.87Å; A166-I168 VanDerWaalsContact O-N 3.17Å; I168-L171 HydrophobicContact CG2-CD2 3.99Å; I168-A189 HydrophobicContact CG2-CB 4.27Å; I168-G190 CarbonylContact C-O 3.57Å; I168-G190 WeakPolarHBondContact CA-O 3.39Å; I168-T191 HydrophobicContact CG1-CG2 4.34Å
169T95.8Very high86.8Confident28 Ų2854 Ų5417%0.17229%0.288CS..EExtended strand (participates in β ladder)trans-103-34.6179.661.20000112.5G190 E192 V215 P216T169-G190 PolarHBondContact N-O 2.91Å; T169-G190 PolarHBondContact OG1-O 2.78Å; T169-E192 HydrophobicContact CG2-CB 4.24Å; T169-E192 WeakPolarHBondContact CG2-OE2 3.43Å; T169-V215 HydrophobicContact CG2-CG1 4.1Å; T169-P216 WeakPolarHBondContact CB-O 3.26Å; T169-P216 PolarHBondContact OG1-O 2.75Å
170C95.9Very high86.2Confident9 Ų951.1 Ų51.16%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-153.5153.6-17556.10000112G190 C217C170-G190 PolarHBondContact N-O 2.9Å; C170-G190 PolarHBondContact O-N 3.12Å; C170-C217 VanDerWaalsContact CB-O 3.22Å; C170-C217 WeakPolarHBondContact CB-O 3.26Å
171L96.5Very high85.5Confident27 Ų2751.1 Ų51.114%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-123.2151175.2-64.7179.6000111.1A54 A56 A73 L78 I168 L187 L188 A189A54-L171 HydrophobicContact CB-CB 4.03Å; A54-L171 HydrophobicContact CB-CD1 3.96Å; A54-L171 HydrophobicContact CB-CG 3.81Å; A56-L171 HydrophobicContact CB-CD1 4.31Å; A73-L171 HydrophobicContact CB-CD1 3.73Å; A73-L171 HydrophobicContact CB-CD2 4.16Å; A73-L171 HydrophobicContact CB-CG 4Å; L78-L171 HydrophobicContact CD2-CD1 4.3Å; L78-L171 HydrophobicContact CD2-CD2 3.79Å; I168-L171 HydrophobicContact CG2-CD2 3.99Å; L171-L187 HydrophobicContact CB-CD1 4.46Å; L171-L187 HydrophobicContact CD2-CD2 4.29Å; L171-L187 HydrophobicContact CD2-CG 4.37Å; L171-L188 CarbonylContact C-O 3.59Å; L171-L188 VanDerWaalsContact CA-O 3.3Å; L171-L188 WeakPolarHBondContact CA-O 3.28Å; L171-A189 HydrophobicContact CD2-CB 3.74Å
172A95Very high84.7Confident15 Ų1551 Ų5112%0.12426%0.264CS..EExtended strand (participates in β ladder)trans-147.1152.4164.800000110.4L188 I219 V221A172-L188 HydrophobicContact CB-CB 4.41Å; A172-L188 PolarHBondContact N-O 2.84Å; A172-L188 PolarHBondContact O-N 2.9Å; A172-I219 HydrophobicContact CB-CB 3.73Å; A172-I219 HydrophobicContact CB-CG2 3.64Å; A172-V221 HydrophobicContact CB-CG2 4.44Å
173T93.5Very high84Confident63 Ų6353 Ų5339%0.38727%0.273SS..EExtended strand (participates in β ladder)trans-101.6141.617755.60000110.5A56 I58 W186 L187A56-T173 HydrophobicContact CB-CG2 3.98Å; I58-T173 HydrophobicContact CG2-CG2 3.62Å; T173-W186 WeakPolarHBondContact CA-O 3.34Å; T173-L187 HydrophobicContact CG2-CD1 4.15Å
174I92.1Very high83.9Confident2 Ų245 Ų451%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-125.8124.2170.3-179.1175.2000109.3W186 L188 L198 V221 H225 H229I174-W186 HydrophobicContact CG2-CB 3.49Å; I174-W186 VanDerWaalsContact CG2-CB 3.49Å; I174-W186 HydrophobicContact CG2-CG 4.45Å; I174-W186 PolarHBondContact N-O 2.92Å; I174-W186 WeakPolarHBondContact O-CB 3.46Å; I174-W186 PolarHBondContact O-N 2.79Å; I174-L188 HydrophobicContact CG2-CD1 4.38Å; I174-L188 HydrophobicContact CG2-CG 4.37Å; I174-L198 HydrophobicContact CG2-CD1 3.89Å; I174-V221 HydrophobicContact CB-CG1 4.01Å; I174-V221 HydrophobicContact CB-CG2 4.44Å; I174-V221 HydrophobicContact CD1-CG1 3.69Å; I174-V221 HydrophobicContact CG1-CG1 3.73Å; I174-H225 HydrophobicContact CD1-CB 4.01Å; I174-H225 HydrophobicContact CG1-CB 4.3Å; I174-H229 HydrophobicContact CD1-CB 3.94Å
175K88Confident84.3Confident91 Ų9144.8 Ų44.840%0.39624%0.243SC..EExtended strand (participates in β ladder)trans-66.9145.6177.3-64.1-169.7172.8-174.20110.3A224 H225K175-A224 HydrophobicContact CB-CB 4.41Å; K175-A224 CarbonylContact O-C 3.59Å; K175-A224 WeakPolarHBondContact O-CA 3.18Å; K175-A224 WeakPolarHBondContact O-CB 3.39Å; K175-H225 PolarHBondContact O-N 2.74Å
176K85.4Confident84.9Confident74 Ų7445 Ų4532%0.32224%0.24SC..SBendtrans-65.4-41.6172.1-171.6174.8-175.3170.50111.5E183 V184 E202 G226K176-E183 HydrophobicContact CB-CB 4.04Å; K176-E183 WeakPolarHBondContact CB-OE2 3.36Å; K176-E183 HydrophobicContact CD-CB 4.27Å; K176-E183 WeakPolarHBondContact CD-OE2 3.36Å; K176-E183 WeakPolarHBondContact CG-OE2 3.41Å; K176-V184 VanDerWaalsContact CB-O 3.26Å; K176-V184 WeakPolarHBondContact CB-O 3.14Å; K176-E202 IonicContact NZ-OE2 3.64Å; K176-G226 WeakPolarHBondContact O-CA 3.25Å; K176-G226 PolarHBondContact O-N 2.7Å
177S83Confident85.3Confident17 Ų1744.9 Ų44.912%0.11924%0.24CC..  trans-143.1145176.4171.10000111.3N179 S180 E183S177-N179 PolarHBondContact OG-N 2.82Å; S177-S180 WeakPolarHBondContact CB-OG 3.42Å; S177-S180 PolarHBondContact OG-OG 2.9Å; S177-E183 VanDerWaalsContact CB-OE2 3.25Å; S177-E183 WeakPolarHBondContact CB-OE2 3.45Å
178L79.6Confident85.4Confident93 Ų9342.8 Ų42.849%0.48723%0.227SC..SBendtrans-77.6-27.7174.7-69.3176.1000112.6S180 A224L178-S180 VanDerWaalsContact C-N 3.35Å; L178-A224 HydrophobicContact CD2-CB 4.22Å; L178-A224 HydrophobicContact CG-CB 3.78Å
179N76.3Confident85.5Confident140 Ų14042.7 Ų42.775%0.74923%0.226SC*.SBendtrans-81.2-23.4-175.5-63.7-18000112.1S177 P181S177-N179 PolarHBondContact OG-N 2.82Å; N179-P181 VanDerWaalsContact C-CD 3.48Å; N179-P181 WeakPolarHBondContact O-CD 3.36Å
180S71.7Confident85.5Confident33 Ų3341.4 Ų41.423%0.23122%0.218CC..  trans-123.174.5-178.531.30000107.3S177 L178 E182 E183S177-S180 WeakPolarHBondContact CB-OG 3.42Å; S177-S180 PolarHBondContact OG-OG 2.9Å; L178-S180 VanDerWaalsContact C-N 3.35Å; S180-E182 PolarHBondContact O-N 3.28Å; S180-E183 VanDerWaalsContact CB-OE1 3.29Å; S180-E183 WeakPolarHBondContact CB-OE1 3.48Å; S180-E183 WeakPolarHBondContact O-CB 3.38Å; S180-E183 PolarHBondContact O-N 2.78Å; S180-E183 PolarHBondContact OG-OE1 3.15Å
181P68.9Low85.5Confident73 Ų7341 Ų4147%0.47422%0.215SC..THydrogen-bonded Turntrans-63.9-2.1177.430.6-37.7000113N179N179-P181 VanDerWaalsContact C-CD 3.48Å; N179-P181 WeakPolarHBondContact O-CD 3.36Å
182E65.8Low85.3Confident108 Ų10843.1 Ų43.151%0.50523%0.225SC..THydrogen-bonded Turntrans-90.3-10.1177.1-50.7-166146.900112.6R66 S180R66-E182 IonicContact CZ-OE1 2.69Å; R66-E182 IonicContact CZ-OE2 3.07Å; R66-E182 VanDerWaalsContact CZ-OE2 3.27Å; R66-E182 IonicContact NH1-OE1 2.6Å; R66-E182 PolarHBondContact NH1-OE1 3.09Å; R66-E182 IonicContact NH1-OE2 3.52Å; R66-E182 IonicContact NH2-OE1 2.98Å; R66-E182 PolarHBondContact NH2-OE1 3.26Å; R66-E182 IonicContact NH2-OE2 3.11Å; R66-E182 PolarHBondContact NH2-OE2 2.8Å; S180-E182 PolarHBondContact O-N 3.28Å
183E69.2Low85Confident69 Ų6943.8 Ų43.832%0.32223%0.225SC..SBendtrans-71.2156.6175.5-78.8174.9-156.100112.3K176 S177 S180 D185K176-E183 HydrophobicContact CB-CB 4.04Å; K176-E183 WeakPolarHBondContact CB-OE2 3.36Å; K176-E183 HydrophobicContact CD-CB 4.27Å; K176-E183 WeakPolarHBondContact CD-OE2 3.36Å; K176-E183 WeakPolarHBondContact CG-OE2 3.41Å; S177-E183 VanDerWaalsContact CB-OE2 3.25Å; S177-E183 WeakPolarHBondContact CB-OE2 3.45Å; S180-E183 VanDerWaalsContact CB-OE1 3.29Å; S180-E183 WeakPolarHBondContact CB-OE1 3.48Å; S180-E183 WeakPolarHBondContact O-CB 3.38Å; S180-E183 PolarHBondContact O-N 2.78Å; S180-E183 PolarHBondContact OG-OE1 3.15Å; E183-D185 PolarHBondContact O-N 3.35Å
184V74.4Confident85Confident9 Ų943.8 Ų43.86%0.05522%0.221CC..PPolyproline II helixtrans-55.2131.1176.7179.60000110.8V59 G61 K176 C201 E202V59-V184 WeakPolarHBondContact O-CA 3.44Å; V59-V184 WeakPolarHBondContact O-CG1 3.43Å; G61-V184 WeakPolarHBondContact O-CG2 3.29Å; K176-V184 VanDerWaalsContact CB-O 3.26Å; K176-V184 WeakPolarHBondContact CB-O 3.14Å; V184-C201 HydrophobicContact CG1-CB 4.08Å; V184-E202 HydrophobicContact CG1-CB 4.07Å
185D85.5Confident85.1Confident16 Ų1643.9 Ų43.99%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-78.5152.7175-66.6-49.5000110.6I58 V59 E183 C201I58-D185 HydrophobicContact CB-CB 4.17Å; I58-D185 HydrophobicContact CG2-CB 4.16Å; V59-D185 PolarHBondContact N-OD2 3.38Å; V59-D185 VanDerWaalsContact N-OD2 3.08Å; V59-D185 PolarHBondContact O-N 2.91Å; V59-D185 VanDerWaalsContact O-N 3.17Å; E183-D185 PolarHBondContact O-N 3.35Å; D185-C201 WeakPolarHBondContact O-CB 3.36Å; D185-C201 PolarHBondContact O-SG 2.83Å
186W91.5Very high85.4Confident30 Ų3039.5 Ų39.511%0.11420%0.203CC..EExtended strand (participates in β ladder)trans-103.2151.9168.6-66.955.1000108.6T173 I174 L198 D200 Q207 H225T173-W186 WeakPolarHBondContact CA-O 3.34Å; I174-W186 HydrophobicContact CG2-CB 3.49Å; I174-W186 VanDerWaalsContact CG2-CB 3.49Å; I174-W186 HydrophobicContact CG2-CG 4.45Å; I174-W186 PolarHBondContact N-O 2.92Å; I174-W186 WeakPolarHBondContact O-CB 3.46Å; I174-W186 PolarHBondContact O-N 2.79Å; W186-L198 HydrophobicContact CB-CD1 3.99Å; W186-L198 HydrophobicContact CD2-CD1 4.39Å; W186-L198 HydrophobicContact CE3-CD1 3.65Å; W186-L198 HydrophobicContact CE3-CD2 3.61Å; W186-L198 HydrophobicContact CE3-CG 3.47Å; W186-L198 VanDerWaalsContact CE3-CG 3.47Å; W186-L198 HydrophobicContact CZ3-CD1 4.45Å; W186-L198 HydrophobicContact CZ3-CD2 3.57Å; W186-L198 HydrophobicContact CZ3-CG 3.83Å; W186-D200 HydrophobicContact CE3-CB 4.35Å; W186-D200 HydrophobicContact CZ3-CB 4.34Å; W186-Q207 HydrophobicContact CH2-CB 4.4Å; W186-Q207 HydrophobicContact CH2-CG 4.08Å; W186-Q207 HydrophobicContact CZ3-CB 3.77Å; W186-Q207 HydrophobicContact CZ3-CG 3.7Å; W186-H225 HydrophobicContact CD2-CB 4.48Å; W186-H225 AromaticContact CD2-CD2 3.97Å; W186-H225 AromaticContact CE2-CD2 3.55Å; W186-H225 AromaticContact CH2-CD2 3.49Å; W186-H225 VanDerWaalsContact CH2-CD2 3.49Å; W186-H225 WeakPolarHBondContact CH2-CD2 3.26Å; W186-H225 AromaticContact CH2-NE2 3.33Å; W186-H225 VanDerWaalsContact CH2-NE2 3.33Å; W186-H225 WeakPolarHBondContact CH2-NE2 3.47Å; W186-H225 AromaticContact CZ2-CD2 3.31Å; W186-H225 WeakPolarHBondContact CZ2-CD2 3.22Å; W186-H225 AromaticContact CZ2-NE2 3.7Å; W186-H225 AromaticContact CZ3-CD2 3.91Å; W186-H225 AromaticContact CZ3-NE2 3.63Å
187L94.7Very high85.8Confident0 Ų036.4 Ų36.40%019%0.189CC..EExtended strand (participates in β ladder)trans-115.3133.1-178.5-170.770.4000110.1A56 I58 A71 L78 F80 L171 T173 I199A56-L187 HydrophobicContact CB-CD1 3.86Å; I58-L187 HydrophobicContact CG2-CD1 4.3Å; A71-L187 HydrophobicContact CB-CD2 3.92Å; L78-L187 HydrophobicContact CD1-CD2 3.97Å; L78-L187 HydrophobicContact CD2-CD2 3.96Å; F80-L187 HydrophobicContact CE1-CD2 4.26Å; F80-L187 HydrophobicContact CZ-CD2 4.37Å; L171-L187 HydrophobicContact CB-CD1 4.46Å; L171-L187 HydrophobicContact CD2-CD2 4.29Å; L171-L187 HydrophobicContact CD2-CG 4.37Å; T173-L187 HydrophobicContact CG2-CD1 4.15Å; L187-I199 HydrophobicContact CB-CB 4.34Å; L187-I199 PolarHBondContact N-O 3.18Å; L187-I199 WeakPolarHBondContact O-CD1 3.4Å; L187-I199 PolarHBondContact O-N 2.86Å
188L95.5Very high86.4Confident0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-103.5126.7170.7-71.6166000108.7L171 A172 I174 I196 F197 L198 W208 I219 V221 I231L171-L188 CarbonylContact C-O 3.59Å; L171-L188 VanDerWaalsContact CA-O 3.3Å; L171-L188 WeakPolarHBondContact CA-O 3.28Å; A172-L188 HydrophobicContact CB-CB 4.41Å; A172-L188 PolarHBondContact N-O 2.84Å; A172-L188 PolarHBondContact O-N 2.9Å; I174-L188 HydrophobicContact CG2-CD1 4.38Å; I174-L188 HydrophobicContact CG2-CG 4.37Å; L188-I196 HydrophobicContact CD2-CG2 3.82Å; L188-F197 CarbonylContact C-O 3.58Å; L188-F197 VanDerWaalsContact CA-O 3.31Å; L188-F197 WeakPolarHBondContact CA-O 3.13Å; L188-L198 HydrophobicContact CD2-CB 3.92Å; L188-L198 HydrophobicContact CD2-CD1 3.63Å; L188-L198 HydrophobicContact CD2-CG 4.37Å; L188-L198 HydrophobicContact CG-CD1 4.06Å; L188-W208 HydrophobicContact CD2-CZ3 4.34Å; L188-I219 HydrophobicContact CB-CD1 4.37Å; L188-I219 HydrophobicContact CB-CG2 4.41Å; L188-I219 HydrophobicContact CD1-CG2 3.99Å; L188-V221 HydrophobicContact CD1-CG2 3.52Å; L188-I231 HydrophobicContact CD1-CD1 3.73Å; L188-I231 HydrophobicContact CD1-CG1 3.92Å; L188-I231 HydrophobicContact CD1-CG2 3.95Å; L188-I231 HydrophobicContact CD2-CD1 3.9Å; L188-I231 HydrophobicContact CG-CD1 4.48Å
189A97Very high87Confident0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-118.6120.117400000110L78 L92 I168 L171 I196 F197 I199L78-A189 HydrophobicContact CD1-CB 4.33Å; L92-A189 HydrophobicContact CD1-CB 4.01Å; I168-A189 HydrophobicContact CG2-CB 4.27Å; L171-A189 HydrophobicContact CD2-CB 3.74Å; A189-I196 CarbonylContact O-C 3.35Å; A189-I196 WeakPolarHBondContact O-CA 3.38Å; A189-F197 PolarHBondContact N-O 3.31Å; A189-F197 PolarHBondContact O-N 3Å; A189-I199 HydrophobicContact CB-CD1 3.9Å
190G96.5Very high87.8Confident0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-91.3142.1170.100000110.7I168 T169 C170 A195I168-G190 CarbonylContact C-O 3.57Å; I168-G190 WeakPolarHBondContact CA-O 3.39Å; T169-G190 PolarHBondContact N-O 2.91Å; T169-G190 PolarHBondContact OG1-O 2.78Å; C170-G190 PolarHBondContact N-O 2.9Å; C170-G190 PolarHBondContact O-N 3.12Å; G190-A195 WeakPolarHBondContact CA-O 3.24Å
191T95.3Very high88.6Confident0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-125.1160.1-176.368.40000113.6L92 A166 T167 I168 Q193 E194 A195 F197 P216L92-T191 HydrophobicContact CD1-CG2 3.91Å; A166-T191 HydrophobicContact CB-CG2 4.34Å; A166-T191 WeakPolarHBondContact O-CG2 3.4Å; T167-T191 CarbonylContact O-C 3.58Å; T167-T191 WeakPolarHBondContact O-CA 3.32Å; T167-T191 WeakPolarHBondContact O-CB 3.45Å; I168-T191 HydrophobicContact CG1-CG2 4.34Å; T191-Q193 PolarHBondContact O-N 3.27Å; T191-Q193 VanDerWaalsContact O-N 3.12Å; T191-Q193 PolarHBondContact OG1-OE1 2.6Å; T191-E194 PolarHBondContact O-N 3.32Å; T191-E194 VanDerWaalsContact O-N 3.17Å; T191-A195 PolarHBondContact N-O 2.9Å; T191-A195 PolarHBondContact OG1-O 3.11Å; T191-F197 HydrophobicContact CG2-CD2 3.72Å; T191-F197 HydrophobicContact CG2-CE2 3.5Å; T191-P216 WeakPolarHBondContact O-CD 3.39Å
192E92.6Very high89.4Confident73 Ų7324.9 Ų24.934%0.34112%0.118SC..THydrogen-bonded Turntrans-60-20.3177.8-167.464.3-16000112.7T167 T169 E194 V215 R236T167-E192 PolarHBondContact O-N 2.99Å; T169-E192 HydrophobicContact CG2-CB 4.24Å; T169-E192 WeakPolarHBondContact CG2-OE2 3.43Å; E192-E194 PolarHBondContact O-N 2.98Å; E192-V215 VanDerWaalsContact O-CG2 3.26Å; E192-V215 WeakPolarHBondContact O-CG2 3.48Å; E192-R236 IonicContact OE1-CZ 2.73Å; E192-R236 IonicContact OE1-NH1 3.14Å; E192-R236 PolarHBondContact OE1-NH1 3.17Å; E192-R236 IonicContact OE1-NH2 2.74Å; E192-R236 IonicContact OE2-CZ 2.83Å; E192-R236 IonicContact OE2-NH1 3.98Å; E192-R236 PolarHBondContact OE2-NH1 2.73Å; E192-R236 IonicContact OE2-NH2 3.94Å; E192-R236 PolarHBondContact OE2-NH2 2.86Å
193Q88.9Confident90.5Very high29 Ų2922.1 Ų22.114%0.13611%0.11CC..THydrogen-bonded Turntrans-81.516.2178.4-66.566.932.100112.8F164 S165 A166 T167 T191 A195 Q211F164-Q193 HydrophobicContact CD1-CG 4.04Å; F164-Q193 HydrophobicContact CE1-CB 4.22Å; F164-Q193 HydrophobicContact CE1-CG 3.24Å; F164-Q193 HydrophobicContact CZ-CG 3.8Å; S165-Q193 VanDerWaalsContact O-CD 3.32Å; S165-Q193 PolarHBondContact O-NE2 3.32Å; A166-Q193 VanDerWaalsContact C-OE1 3.25Å; T167-Q193 VanDerWaalsContact N-OE1 3.16Å; T191-Q193 PolarHBondContact O-N 3.27Å; T191-Q193 VanDerWaalsContact O-N 3.12Å; T191-Q193 PolarHBondContact OG1-OE1 2.6Å; Q193-A195 PolarHBondContact O-N 3.36Å; Q193-Q211 PolarHBondContact O-NE2 3.42Å
194E93.3Very high91.4Very high62 Ų6220.2 Ų20.229%0.2910%0.101SC..THydrogen-bonded Turntrans60.634.8-178.4-39.6175.6147.500111.2T191 E192 Q211 L212 V215T191-E194 PolarHBondContact O-N 3.32Å; T191-E194 VanDerWaalsContact O-N 3.17Å; E192-E194 PolarHBondContact O-N 2.98Å; E194-Q211 PolarHBondContact O-NE2 2.75Å; E194-L212 HydrophobicContact CB-CB 4.49Å; E194-L212 WeakPolarHBondContact CB-O 3.29Å; E194-L212 WeakPolarHBondContact O-CA 3.27Å; E194-L212 VanDerWaalsContact O-CB 3.25Å; E194-L212 WeakPolarHBondContact O-CB 3.44Å; E194-L212 PolarHBondContact O-N 3.28Å; E194-V215 HydrophobicContact CG-CG2 3.95Å
195A93.2Very high92.3Very high4 Ų424 Ų243%0.03312%0.121CC..EExtended strand (participates in β ladder)trans-119.7154.6178.900000111.8G190 T191 Q193 F197 C210G190-A195 WeakPolarHBondContact CA-O 3.24Å; T191-A195 PolarHBondContact N-O 2.9Å; T191-A195 PolarHBondContact OG1-O 3.11Å; Q193-A195 PolarHBondContact O-N 3.36Å; A195-F197 HydrophobicContact CB-CE2 3.88Å; A195-F197 HydrophobicContact CB-CZ 4.16Å; A195-C210 CarbonylContact C-O 3.52Å; A195-C210 WeakPolarHBondContact CA-O 3.16Å
196I95.2Very high92.6Very high0 Ų025.2 Ų25.20%013%0.129CC..EExtended strand (participates in β ladder)trans-121.3132.8165.5-73.3176.1000109.4L188 A189 W208 T209 C210 L212 P216 I219 V233 L243L188-I196 HydrophobicContact CD2-CG2 3.82Å; A189-I196 CarbonylContact O-C 3.35Å; A189-I196 WeakPolarHBondContact O-CA 3.38Å; I196-W208 HydrophobicContact CG2-CH2 4.47Å; I196-W208 HydrophobicContact CG2-CZ3 3.8Å; I196-T209 CarbonylContact O-C 3.59Å; I196-T209 WeakPolarHBondContact O-CA 3.33Å; I196-C210 PolarHBondContact N-O 3.31Å; I196-C210 PolarHBondContact O-N 2.84Å; I196-L212 HydrophobicContact CD1-CD1 3.68Å; I196-L212 HydrophobicContact CD1-CD2 4.35Å; I196-L212 HydrophobicContact CD1-CG 4.38Å; I196-L212 HydrophobicContact CG1-CD1 3.72Å; I196-L212 HydrophobicContact CG1-CG 4.39Å; I196-P216 HydrophobicContact CG1-CG 4.47Å; I196-I219 HydrophobicContact CD1-CD1 4.02Å; I196-I219 HydrophobicContact CD1-CG1 4.26Å; I196-I219 HydrophobicContact CG1-CD1 4.24Å; I196-V233 HydrophobicContact CD1-CB 4.21Å; I196-V233 HydrophobicContact CD1-CG1 3.83Å; I196-V233 HydrophobicContact CD1-CG2 3.3Å; I196-L243 HydrophobicContact CD1-CD1 3.88Å
197F94.6Very high92.6Very high9 Ų928.4 Ų28.44%0.03915%0.145CC..EExtended strand (participates in β ladder)trans-108.8133174.5-60.4-86.6000109.6L92 P93 L188 A189 T191 A195 I199 V206 W208 T209L92-F197 HydrophobicContact CD1-CD2 3.84Å; L92-F197 HydrophobicContact CD1-CE2 4.32Å; L92-F197 HydrophobicContact CD1-CG 4.33Å; L92-F197 HydrophobicContact CD2-CB 4.29Å; L92-F197 HydrophobicContact CD2-CG 4.26Å; P93-F197 HydrophobicContact CG-CD1 4.42Å; P93-F197 HydrophobicContact CG-CE1 3.77Å; P93-F197 HydrophobicContact CG-CZ 4.49Å; P93-F197 WeakPolarHBondContact O-CZ 3.43Å; L188-F197 CarbonylContact C-O 3.58Å; L188-F197 VanDerWaalsContact CA-O 3.31Å; L188-F197 WeakPolarHBondContact CA-O 3.13Å; A189-F197 PolarHBondContact N-O 3.31Å; A189-F197 PolarHBondContact O-N 3Å; T191-F197 HydrophobicContact CG2-CD2 3.72Å; T191-F197 HydrophobicContact CG2-CE2 3.5Å; A195-F197 HydrophobicContact CB-CE2 3.88Å; A195-F197 HydrophobicContact CB-CZ 4.16Å; F197-I199 HydrophobicContact CB-CD1 4.08Å; F197-V206 HydrophobicContact CB-CG1 4.42Å; F197-V206 HydrophobicContact CD1-CG1 3.8Å; F197-V206 HydrophobicContact CD1-CG2 4.41Å; F197-W208 WeakPolarHBondContact CA-O 3.46Å; F197-T209 HydrophobicContact CD1-CG2 3.83Å; F197-T209 WeakPolarHBondContact CD1-OG1 3.41Å; F197-T209 HydrophobicContact CE1-CG2 3.47Å; F197-T209 VanDerWaalsContact CE1-CG2 3.47Å; F197-T209 WeakPolarHBondContact CE1-OG1 3.41Å; F197-T209 HydrophobicContact CZ-CG2 4.04Å
198L94.1Very high92.3Very high4 Ų429.7 Ų29.72%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-102.9114.6168.5175.770.9000108I174 W186 L188 Q207 W208 H225I174-L198 HydrophobicContact CG2-CD1 3.89Å; W186-L198 HydrophobicContact CB-CD1 3.99Å; W186-L198 HydrophobicContact CD2-CD1 4.39Å; W186-L198 HydrophobicContact CE3-CD1 3.65Å; W186-L198 HydrophobicContact CE3-CD2 3.61Å; W186-L198 HydrophobicContact CE3-CG 3.47Å; W186-L198 VanDerWaalsContact CE3-CG 3.47Å; W186-L198 HydrophobicContact CZ3-CD1 4.45Å; W186-L198 HydrophobicContact CZ3-CD2 3.57Å; W186-L198 HydrophobicContact CZ3-CG 3.83Å; L188-L198 HydrophobicContact CD2-CB 3.92Å; L188-L198 HydrophobicContact CD2-CD1 3.63Å; L188-L198 HydrophobicContact CD2-CG 4.37Å; L188-L198 HydrophobicContact CG-CD1 4.06Å; L198-Q207 PolarHBondContact O-N 3.49Å; L198-W208 HydrophobicContact CB-CB 4.13Å; L198-W208 HydrophobicContact CB-CD2 4.35Å; L198-W208 HydrophobicContact CB-CE3 3.49Å; L198-W208 VanDerWaalsContact CB-CE3 3.49Å; L198-W208 HydrophobicContact CB-CZ3 4.25Å; L198-W208 HydrophobicContact CD2-CB 4.3Å; L198-W208 HydrophobicContact CD2-CE3 4.49Å; L198-W208 PolarHBondContact N-O 3.47Å; L198-W208 PolarHBondContact O-N 3.41Å; L198-H225 VanDerWaalsContact CD2-CE1 3.5Å; L198-H225 WeakPolarHBondContact CD2-CE1 3.45Å
199I93.9Very high92.2Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-102.2129-179-5797000108.6L78 F80 L90 L92 L187 A189 F197 N205 V206L78-I199 HydrophobicContact CD1-CD1 3.54Å; L78-I199 HydrophobicContact CD1-CG1 3.94Å; F80-I199 HydrophobicContact CZ-CG2 4.48Å; L90-I199 HydrophobicContact CD2-CB 4.45Å; L90-I199 HydrophobicContact CD2-CG1 3.95Å; L90-I199 HydrophobicContact CD2-CG2 3.6Å; L92-I199 HydrophobicContact CD2-CD1 4.38Å; L92-I199 HydrophobicContact CD2-CG1 4.44Å; L187-I199 HydrophobicContact CB-CB 4.34Å; L187-I199 PolarHBondContact N-O 3.18Å; L187-I199 WeakPolarHBondContact O-CD1 3.4Å; L187-I199 PolarHBondContact O-N 2.86Å; A189-I199 HydrophobicContact CB-CD1 3.9Å; F197-I199 HydrophobicContact CB-CD1 4.08Å; I199-N205 WeakPolarHBondContact CA-O 3.48Å; I199-V206 HydrophobicContact CG1-CG2 4.34Å
200D91.2Very high92Very high20 Ų2033.6 Ų33.611%0.10717%0.174CC..EExtended strand (participates in β ladder)trans-81.3115.9165.3169.226000108.8W186 E202 S203 F204 N205 Q207W186-D200 HydrophobicContact CE3-CB 4.35Å; W186-D200 HydrophobicContact CZ3-CB 4.34Å; D200-E202 PolarHBondContact O-N 2.83Å; D200-E202 VanDerWaalsContact OD1-CB 3.3Å; D200-E202 WeakPolarHBondContact OD1-CB 3.24Å; D200-E202 PolarHBondContact OD1-N 2.96Å; D200-S203 WeakPolarHBondContact OD2-CB 3.49Å; D200-S203 PolarHBondContact OD2-N 2.83Å; D200-S203 PolarHBondContact OD2-OG 2.85Å; D200-F204 VanDerWaalsContact O-CA 3.28Å; D200-F204 WeakPolarHBondContact O-CA 3.28Å; D200-F204 PolarHBondContact O-N 2.92Å; D200-N205 PolarHBondContact N-O 3.18Å; D200-N205 PolarHBondContact O-N 2.9Å; D200-Q207 HydrophobicContact CB-CG 3.49Å; D200-Q207 VanDerWaalsContact CB-CG 3.49Å
201C89.4Confident91.8Very high0 Ų037.9 Ų37.90%019%0.194CC..THydrogen-bonded Turntrans-77.9-8.2-177-51.90000113I58 T60 V184 D185I58-C201 HydrophobicContact CD1-CB 3.8Å; I58-C201 VanDerWaalsContact CD1-SG 3.55Å; T60-C201 HydrophobicContact CG2-CB 3.89Å; T60-C201 WeakPolarHBondContact CG2-O 3.37Å; V184-C201 HydrophobicContact CG1-CB 4.08Å; D185-C201 WeakPolarHBondContact O-CB 3.36Å; D185-C201 PolarHBondContact O-SG 2.83Å
202E86.6Confident91.7Very high90 Ų9038.1 Ų38.142%0.42120%0.195SC..THydrogen-bonded Turntrans-77-51.3172.8-163.8174.4165.400110.2K176 V184 D200K176-E202 IonicContact NZ-OE2 3.64Å; V184-E202 HydrophobicContact CG1-CB 4.07Å; D200-E202 PolarHBondContact O-N 2.83Å; D200-E202 VanDerWaalsContact OD1-CB 3.3Å; D200-E202 WeakPolarHBondContact OD1-CB 3.24Å; D200-E202 PolarHBondContact OD1-N 2.96Å
203S87.7Confident91.8Very high49 Ų4938.1 Ų38.134%0.34320%0.201SC..THydrogen-bonded Turntrans-91.5-6.5-17963.60000114.8D200 N205D200-S203 WeakPolarHBondContact OD2-CB 3.49Å; D200-S203 PolarHBondContact OD2-N 2.83Å; D200-S203 PolarHBondContact OD2-OG 2.85Å; S203-N205 PolarHBondContact O-N 2.95Å; S203-N205 PolarHBondContact O-ND2 2.91Å; S203-N205 VanDerWaalsContact O-ND2 3.11Å
204F88.7Confident92.1Very high29 Ų2937.1 Ų37.113%0.12720%0.198CC..THydrogen-bonded Turntrans50.538.2-172-59.3-73.4000113.6T60 F80 L87 F88 L90 D200T60-F204 HydrophobicContact CG2-CZ 4.4Å; F80-F204 HydrophobicContact CB-CE1 3.93Å; F80-F204 HydrophobicContact CD1-CD1 4.17Å; F80-F204 AromaticContact CD1-CE1 3.74Å; F80-F204 HydrophobicContact CD1-CE1 3.74Å; F80-F204 AromaticContact CD2-CD1 3.55Å; F80-F204 HydrophobicContact CD2-CD1 3.55Å; F80-F204 AromaticContact CD2-CE1 3.76Å; F80-F204 HydrophobicContact CD2-CE1 3.76Å; F80-F204 HydrophobicContact CE1-CD1 4.22Å; F80-F204 HydrophobicContact CE1-CE1 4.14Å; F80-F204 AromaticContact CE2-CD1 3.62Å; F80-F204 HydrophobicContact CE2-CD1 3.62Å; F80-F204 HydrophobicContact CE2-CE1 4.17Å; F80-F204 AromaticContact CG-CD1 3.83Å; F80-F204 HydrophobicContact CG-CD1 3.83Å; F80-F204 AromaticContact CG-CE1 3.51Å; F80-F204 HydrophobicContact CG-CE1 3.51Å; F80-F204 AromaticContact CZ-CD1 3.96Å; F80-F204 HydrophobicContact CZ-CD1 3.96Å; F80-F204 HydrophobicContact CZ-CE1 4.34Å; L87-F204 HydrophobicContact CD2-CE1 4.43Å; L87-F204 HydrophobicContact CD2-CE2 4.11Å; L87-F204 HydrophobicContact CD2-CZ 3.56Å; L87-F204 HydrophobicContact CG-CZ 4.41Å; F88-F204 HydrophobicContact CB-CD1 4.33Å; F88-F204 HydrophobicContact CB-CD2 4.36Å; F88-F204 HydrophobicContact CB-CG 4.23Å; F88-F204 HydrophobicContact CD1-CB 3.51Å; F88-F204 HydrophobicContact CD1-CD1 4.2Å; F88-F204 AromaticContact CD1-CG 3.84Å; F88-F204 HydrophobicContact CD1-CG 3.84Å; F88-F204 HydrophobicContact CE1-CB 3.59Å; F88-F204 HydrophobicContact CE1-CG 4.4Å; F88-F204 HydrophobicContact CG-CB 4.1Å; F88-F204 HydrophobicContact CG-CD1 4.5Å; F88-F204 HydrophobicContact CG-CD2 4.3Å; F88-F204 HydrophobicContact CG-CG 4.05Å; F88-F204 HydrophobicContact CZ-CB 4.25Å; L90-F204 WeakPolarHBondContact CD1-O 3.21Å; D200-F204 VanDerWaalsContact O-CA 3.28Å; D200-F204 WeakPolarHBondContact O-CA 3.28Å; D200-F204 PolarHBondContact O-N 2.92Å
205N92Very high92.2Very high89 Ų8935 Ų3548%0.47619%0.189SC..EExtended strand (participates in β ladder)trans-122.4148.2-178.9-73.2-48.8000111.9I199 D200 S203 Q207I199-N205 WeakPolarHBondContact CA-O 3.48Å; D200-N205 PolarHBondContact N-O 3.18Å; D200-N205 PolarHBondContact O-N 2.9Å; S203-N205 PolarHBondContact O-N 2.95Å; S203-N205 PolarHBondContact O-ND2 2.91Å; S203-N205 VanDerWaalsContact O-ND2 3.11Å; N205-Q207 PolarHBondContact O-N 2.8Å
206V92.5Very high92.3Very high42 Ų4234.8 Ų34.826%0.25519%0.188SC..EExtended strand (participates in β ladder)trans-71.3116.3170.4177.90000108.6L90 L92 F197 I199L90-V206 HydrophobicContact CD2-CG2 4.47Å; L92-V206 HydrophobicContact CD2-CG2 4.03Å; F197-V206 HydrophobicContact CB-CG1 4.42Å; F197-V206 HydrophobicContact CD1-CG1 3.8Å; F197-V206 HydrophobicContact CD1-CG2 4.41Å; I199-V206 HydrophobicContact CG1-CG2 4.34Å
207Q91.1Very high92.4Very high96 Ų9636.7 Ų36.745%0.44920%0.2SC..EExtended strand (participates in β ladder)trans-92.6-26.8179.8-68.2-63.6-26.300112.7W186 L198 D200 N205W186-Q207 HydrophobicContact CH2-CB 4.4Å; W186-Q207 HydrophobicContact CH2-CG 4.08Å; W186-Q207 HydrophobicContact CZ3-CB 3.77Å; W186-Q207 HydrophobicContact CZ3-CG 3.7Å; L198-Q207 PolarHBondContact O-N 3.49Å; D200-Q207 HydrophobicContact CB-CG 3.49Å; D200-Q207 VanDerWaalsContact CB-CG 3.49Å; N205-Q207 PolarHBondContact O-N 2.8Å
208W89.9Confident92.5Very high28 Ų2839.4 Ų39.411%0.10621%0.212CC..EExtended strand (participates in β ladder)trans-157.1142.4-175.7166.787000111.1L188 I196 F197 L198 C210 L243 T250L188-W208 HydrophobicContact CD2-CZ3 4.34Å; I196-W208 HydrophobicContact CG2-CH2 4.47Å; I196-W208 HydrophobicContact CG2-CZ3 3.8Å; F197-W208 WeakPolarHBondContact CA-O 3.46Å; L198-W208 HydrophobicContact CB-CB 4.13Å; L198-W208 HydrophobicContact CB-CD2 4.35Å; L198-W208 HydrophobicContact CB-CE3 3.49Å; L198-W208 VanDerWaalsContact CB-CE3 3.49Å; L198-W208 HydrophobicContact CB-CZ3 4.25Å; L198-W208 HydrophobicContact CD2-CB 4.3Å; L198-W208 HydrophobicContact CD2-CE3 4.49Å; L198-W208 PolarHBondContact N-O 3.47Å; L198-W208 PolarHBondContact O-N 3.41Å; W208-C210 HydrophobicContact CD2-CB 4.48Å; W208-C210 HydrophobicContact CH2-CB 3.39Å; W208-C210 HydrophobicContact CZ2-CB 3.18Å; W208-C210 HydrophobicContact CZ3-CB 4.1Å; W208-L243 HydrophobicContact CH2-CD1 4.36Å; W208-T250 HydrophobicContact CH2-CG2 4.39Å; W208-T250 HydrophobicContact CZ2-CG2 3.6Å; W208-T250 VanDerWaalsContact CZ2-OG1 3.24Å; W208-T250 WeakPolarHBondContact CZ2-OG1 3.3Å; W208-T250 PolarHBondContact NE1-OG1 3.17Å
209T92.3Very high92.6Very high72 Ų7240 Ų4044%0.44222%0.215SC..EExtended strand (participates in β ladder)trans-128.6140.3176.6-54.70000108.9I196 F197I196-T209 CarbonylContact O-C 3.59Å; I196-T209 WeakPolarHBondContact O-CA 3.33Å; F197-T209 HydrophobicContact CD1-CG2 3.83Å; F197-T209 WeakPolarHBondContact CD1-OG1 3.41Å; F197-T209 HydrophobicContact CE1-CG2 3.47Å; F197-T209 VanDerWaalsContact CE1-CG2 3.47Å; F197-T209 WeakPolarHBondContact CE1-OG1 3.41Å; F197-T209 HydrophobicContact CZ-CG2 4.04Å
210C92.4Very high92.6Very high10 Ų1040.4 Ų40.47%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-137.5127.8175.6177.30000111.4A195 I196 W208 I252A195-C210 CarbonylContact C-O 3.52Å; A195-C210 WeakPolarHBondContact CA-O 3.16Å; I196-C210 PolarHBondContact N-O 3.31Å; I196-C210 PolarHBondContact O-N 2.84Å; W208-C210 HydrophobicContact CD2-CB 4.48Å; W208-C210 HydrophobicContact CH2-CB 3.39Å; W208-C210 HydrophobicContact CZ2-CB 3.18Å; W208-C210 HydrophobicContact CZ3-CB 4.1Å; C210-I252 VanDerWaalsContact SG-CD1 3.55Å
211Q92.6Very high92.7Very high90 Ų9040.9 Ų40.942%0.42122%0.222SC..EExtended strand (participates in β ladder)trans-81.1123.1174.4-165.66523.400110.4Q193 E194 I252Q193-Q211 PolarHBondContact O-NE2 3.42Å; E194-Q211 PolarHBondContact O-NE2 2.75Å; Q211-I252 WeakPolarHBondContact O-CD1 3.4Å
212L94Very high92.7Very high5 Ų545 Ų453%0.02624%0.24CC..  trans-92.8160.2175.9-60.5173.4000111.4E194 I196 A214 P216 V233 L243E194-L212 HydrophobicContact CB-CB 4.49Å; E194-L212 WeakPolarHBondContact CB-O 3.29Å; E194-L212 WeakPolarHBondContact O-CA 3.27Å; E194-L212 VanDerWaalsContact O-CB 3.25Å; E194-L212 WeakPolarHBondContact O-CB 3.44Å; E194-L212 PolarHBondContact O-N 3.28Å; I196-L212 HydrophobicContact CD1-CD1 3.68Å; I196-L212 HydrophobicContact CD1-CD2 4.35Å; I196-L212 HydrophobicContact CD1-CG 4.38Å; I196-L212 HydrophobicContact CG1-CD1 3.72Å; I196-L212 HydrophobicContact CG1-CG 4.39Å; L212-A214 WeakPolarHBondContact CB-O 3.45Å; L212-A214 PolarHBondContact O-N 3.3Å; L212-P216 HydrophobicContact CD1-CB 3.94Å; L212-P216 HydrophobicContact CD1-CG 3.99Å; L212-V233 HydrophobicContact CD1-CG1 3.83Å; L212-L243 HydrophobicContact CD2-CD1 4.26Å; L212-L243 HydrophobicContact CD2-CD2 3.97Å; L212-L243 HydrophobicContact CD2-CG 4.46Å
213P93.7Very high92.6Very high72 Ų7241.9 Ų41.947%0.46823%0.232SC..SBendtrans-74.4-8173.7-18.834000115.1Y241P213-Y241 HydrophobicContact CB-CE1 4.23Å; P213-Y241 HydrophobicContact CG-CD1 4.22Å; P213-Y241 HydrophobicContact CG-CE1 3.69Å; P213-Y241 HydrophobicContact CG-CE2 4.49Å
214A94.9Very high92.6Very high8 Ų839.5 Ų39.57%0.06622%0.216CC..SBendtrans-165.4163.1-178.600000111.5L212 C235 N237L212-A214 WeakPolarHBondContact CB-O 3.45Å; L212-A214 PolarHBondContact O-N 3.3Å; A214-C235 HydrophobicContact CB-CB 3.73Å; A214-C235 PolarHBondContact O-SG 2.84Å; A214-N237 HydrophobicContact CB-CB 3.9Å; A214-N237 VanDerWaalsContact CB-ND2 3.33Å; A214-N237 WeakPolarHBondContact CB-ND2 3.36Å
215V95.6Very high92.4Very high18 Ų1839.9 Ų39.911%0.10922%0.218CC..  trans-61.5123.2-177.9-176.60000112.2T169 E192 E194 C235 R236T169-V215 HydrophobicContact CG2-CG1 4.1Å; E192-V215 VanDerWaalsContact O-CG2 3.26Å; E192-V215 WeakPolarHBondContact O-CG2 3.48Å; E194-V215 HydrophobicContact CG-CG2 3.95Å; V215-C235 CarbonylContact O-C 3.52Å; V215-C235 WeakPolarHBondContact O-CA 3.16Å; V215-C235 VanDerWaalsContact O-CB 3.31Å; V215-C235 WeakPolarHBondContact O-CB 3.42Å; V215-R236 HydrophobicContact CB-CB 4.49Å; V215-R236 HydrophobicContact CB-CG 4.24Å; V215-R236 HydrophobicContact CG1-CG 4.46Å; V215-R236 PolarHBondContact O-N 2.96Å
216P97Very high91.8Very high0 Ų038.8 Ų38.80%023%0.228CC..EExtended strand (participates in β ladder)trans-70.6139.1175.730.2-34.6000112.2T169 T191 I196 L212 V233T169-P216 WeakPolarHBondContact CB-O 3.26Å; T169-P216 PolarHBondContact OG1-O 2.75Å; T191-P216 WeakPolarHBondContact O-CD 3.39Å; I196-P216 HydrophobicContact CG1-CG 4.47Å; L212-P216 HydrophobicContact CD1-CB 3.94Å; L212-P216 HydrophobicContact CD1-CG 3.99Å; P216-V233 HydrophobicContact CB-CG1 3.58Å
217C95.7Very high91.4Very high39 Ų3940.4 Ų40.426%0.26423%0.232SC..EExtended strand (participates in β ladder)trans-111.8-40.3171.4-70.60000112.7C170 C234 R236C170-C217 VanDerWaalsContact CB-O 3.22Å; C170-C217 WeakPolarHBondContact CB-O 3.26Å; C217-C234 PolarHBondContact N-O 3.1Å; C217-R236 WeakPolarHBondContact SG-CG 3.47Å
218F96.7Very high91Very high66 Ų6641.4 Ų41.429%0.28924%0.241SC..EExtended strand (participates in β ladder)trans-136137.1-178.6-57-79.5000109.4V233 C234 A262 A263 M265F218-V233 WeakPolarHBondContact O-CA 3.34Å; F218-C234 HydrophobicContact CB-CB 4.19Å; F218-C234 HydrophobicContact CD2-CB 4.34Å; F218-C234 PolarHBondContact N-O 3.43Å; F218-C234 PolarHBondContact O-N 3.38Å; F218-A262 HydrophobicContact CD2-CB 4.26Å; F218-A262 HydrophobicContact CE2-CB 4.21Å; F218-A262 WeakPolarHBondContact CE2-O 3.36Å; F218-A263 VanDerWaalsContact CZ-O 3.27Å; F218-A263 WeakPolarHBondContact CZ-O 3.34Å; F218-M265 HydrophobicContact CB-CB 3.94Å; F218-M265 HydrophobicContact CB-CE 4.09Å; F218-M265 HydrophobicContact CG-CB 4.41Å; F218-M265 VanDerWaalsContact O-CE 3.27Å; F218-M265 WeakPolarHBondContact O-CE 3.38Å
219I96.4Very high90.9Very high17 Ų1741.2 Ų41.29%0.08724%0.241CC..EExtended strand (participates in β ladder)trans-119.3129.1175-58.9169.9000106.9A172 L188 I196 V221 I231 L232A172-I219 HydrophobicContact CB-CB 3.73Å; A172-I219 HydrophobicContact CB-CG2 3.64Å; L188-I219 HydrophobicContact CB-CD1 4.37Å; L188-I219 HydrophobicContact CB-CG2 4.41Å; L188-I219 HydrophobicContact CD1-CG2 3.99Å; I196-I219 HydrophobicContact CD1-CD1 4.02Å; I196-I219 HydrophobicContact CD1-CG1 4.26Å; I196-I219 HydrophobicContact CG1-CD1 4.24Å; I219-V221 HydrophobicContact CG2-CG2 4.36Å; I219-I231 HydrophobicContact CG2-CG2 3.66Å; I219-L232 WeakPolarHBondContact CA-O 3.5Å
220A94.1Very high90.8Very high8 Ų840.9 Ų40.97%0.06623%0.232CC..EExtended strand (participates in β ladder)trans-129.9136.5173.400000109.3L232 M265 V267A220-L232 PolarHBondContact N-O 2.85Å; A220-L232 PolarHBondContact O-N 2.85Å; A220-M265 HydrophobicContact CB-CE 3.8Å; A220-M265 HydrophobicContact CB-CG 4.3Å; A220-V267 HydrophobicContact CB-CB 4.27Å; A220-V267 HydrophobicContact CB-CG2 3.48Å; A220-V267 VanDerWaalsContact CB-CG2 3.48Å
221V92.6Very high90.9Very high31 Ų3140.6 Ų40.619%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-116.5136.4-172.6-175.30000109.7A172 I174 L188 I219 I231A172-V221 HydrophobicContact CB-CG2 4.44Å; I174-V221 HydrophobicContact CB-CG1 4.01Å; I174-V221 HydrophobicContact CB-CG2 4.44Å; I174-V221 HydrophobicContact CD1-CG1 3.69Å; I174-V221 HydrophobicContact CG1-CG1 3.73Å; L188-V221 HydrophobicContact CD1-CG2 3.52Å; I219-V221 HydrophobicContact CG2-CG2 4.36Å; V221-I231 HydrophobicContact CG2-CG1 4.38Å; V221-I231 HydrophobicContact CG2-CG2 4.5Å
222K89.3Confident91.1Very high85 Ų8536.3 Ų36.337%0.3721%0.21SC..EExtended strand (participates in β ladder)trans-113.9130165.4-179.9178179.1176.90109.2H229 R230 V267 G270 T286K222-H229 CarbonylContact O-C 3.57Å; K222-H229 WeakPolarHBondContact O-CA 3.39Å; K222-H229 WeakPolarHBondContact O-CB 3.44Å; K222-R230 PolarHBondContact N-O 3.15Å; K222-R230 PolarHBondContact O-N 3.42Å; K222-V267 HydrophobicContact CB-CG1 4.34Å; K222-G270 PolarHBondContact NZ-O 2.79Å; K222-T286 HydrophobicContact CD-CG2 3.71Å
223G86.6Confident91.2Very high25 Ų2536.1 Ų36.126%0.25821%0.208SC..SBendtrans94.8-167.9178.400000113.1
224A86.9Confident91.4Very high0 Ų032.8 Ų32.80%019%0.187CC..  trans-126.3154.4178.300000110.3K175 L178 G226 Q227 H229K175-A224 HydrophobicContact CB-CB 4.41Å; K175-A224 CarbonylContact O-C 3.59Å; K175-A224 WeakPolarHBondContact O-CA 3.18Å; K175-A224 WeakPolarHBondContact O-CB 3.39Å; L178-A224 HydrophobicContact CD2-CB 4.22Å; L178-A224 HydrophobicContact CG-CB 3.78Å; A224-G226 VanDerWaalsContact C-N 3.35Å; A224-G226 PolarHBondContact O-N 2.88Å; A224-Q227 CarbonylContact O-C 3.57Å; A224-Q227 WeakPolarHBondContact O-CA 3.49Å; A224-Q227 PolarHBondContact O-N 2.8Å; A224-H229 PolarHBondContact O-ND1 3.17Å
225H83.9Confident91.5Very high37 Ų3732.5 Ų32.517%0.17118%0.184CC..THydrogen-bonded Turntrans-60.5-41.1-173.2-172.565.7000113.1I174 K175 W186 L198 Q227 H229I174-H225 HydrophobicContact CD1-CB 4.01Å; I174-H225 HydrophobicContact CG1-CB 4.3Å; K175-H225 PolarHBondContact O-N 2.74Å; W186-H225 HydrophobicContact CD2-CB 4.48Å; W186-H225 AromaticContact CD2-CD2 3.97Å; W186-H225 AromaticContact CE2-CD2 3.55Å; W186-H225 AromaticContact CH2-CD2 3.49Å; W186-H225 VanDerWaalsContact CH2-CD2 3.49Å; W186-H225 WeakPolarHBondContact CH2-CD2 3.26Å; W186-H225 AromaticContact CH2-NE2 3.33Å; W186-H225 VanDerWaalsContact CH2-NE2 3.33Å; W186-H225 WeakPolarHBondContact CH2-NE2 3.47Å; W186-H225 AromaticContact CZ2-CD2 3.31Å; W186-H225 WeakPolarHBondContact CZ2-CD2 3.22Å; W186-H225 AromaticContact CZ2-NE2 3.7Å; W186-H225 AromaticContact CZ3-CD2 3.91Å; W186-H225 AromaticContact CZ3-NE2 3.63Å; L198-H225 VanDerWaalsContact CD2-CE1 3.5Å; L198-H225 WeakPolarHBondContact CD2-CE1 3.45Å; H225-Q227 PolarHBondContact O-N 2.71Å; H225-H229 AromaticContact ND1-CE1 3.63Å; H225-H229 AromaticContact ND1-NE2 3.91Å; H225-H229 PolarHBondContact O-ND1 3.12Å
226G79.7Confident91.5Very high66 Ų6636.6 Ų36.668%0.6820%0.198SC*.THydrogen-bonded Turntrans-74.7-0.817600000114.7K176 A224K176-G226 WeakPolarHBondContact O-CA 3.25Å; K176-G226 PolarHBondContact O-N 2.7Å; A224-G226 VanDerWaalsContact C-N 3.35Å; A224-G226 PolarHBondContact O-N 2.88Å
227Q83.3Confident91.4Very high76 Ų7639.6 Ų39.636%0.35521%0.214SC..SBendtrans-125.2-176.8178.4-58.5-179.115.100109.8A224 H225 H229A224-Q227 CarbonylContact O-C 3.57Å; A224-Q227 WeakPolarHBondContact O-CA 3.49Å; A224-Q227 PolarHBondContact O-N 2.8Å; H225-Q227 PolarHBondContact O-N 2.71Å; Q227-H229 PolarHBondContact O-N 3.19Å; Q227-H229 VanDerWaalsContact O-N 3.11Å; Q227-H229 PolarHBondContact O-ND1 3.19Å
228D84.2Confident91.4Very high117 Ų11738.4 Ų38.463%0.62621%0.206SC*.  trans-66.7113.1172.4-167.738.4000108.9R244D228-R244 IonicContact OD1-CZ 2.78Å; D228-R244 IonicContact OD1-NE 2.65Å; D228-R244 IonicContact OD1-NH2 3.14Å; D228-R244 PolarHBondContact OD1-NH2 2.8Å; D228-R244 IonicContact OD2-NH2 3.27Å; D228-R244 PolarHBondContact OD2-NH2 3.46Å; D228-R244 VanDerWaalsContact OD2-NH2 3.14Å
229H87.2Confident91.4Very high23 Ų2336.6 Ų36.611%0.10620%0.2CC..  trans-120.1153.4177.561.1-82.6000111I174 K222 A224 H225 Q227I174-H229 HydrophobicContact CD1-CB 3.94Å; K222-H229 CarbonylContact O-C 3.57Å; K222-H229 WeakPolarHBondContact O-CA 3.39Å; K222-H229 WeakPolarHBondContact O-CB 3.44Å; A224-H229 PolarHBondContact O-ND1 3.17Å; H225-H229 AromaticContact ND1-CE1 3.63Å; H225-H229 AromaticContact ND1-NE2 3.91Å; H225-H229 PolarHBondContact O-ND1 3.12Å; Q227-H229 PolarHBondContact O-N 3.19Å; Q227-H229 VanDerWaalsContact O-N 3.11Å; Q227-H229 PolarHBondContact O-ND1 3.19Å
230R90.2Very high91.4Very high65 Ų6535.9 Ų35.925%0.24520%0.196CC..EExtended strand (participates in β ladder)trans-132.9119.8175.7-171.5174.3-177.4156.35.3108.4K222 L232 A242 T286K222-R230 PolarHBondContact N-O 3.15Å; K222-R230 PolarHBondContact O-N 3.42Å; R230-L232 HydrophobicContact CG-CD2 4.04Å; R230-A242 HydrophobicContact CG-CB 4.46Å; R230-A242 VanDerWaalsContact NH2-CB 3.3Å; R230-T286 PolarHBondContact NE-O 2.96Å; R230-T286 PolarHBondContact NH1-O 2.67Å; R230-T286 PolarHBondContact NH2-O 3.3Å
231I94.3Very high91.5Very high5 Ų536.2 Ų36.23%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-96.3122.9176-55.6163.5000106.7L188 I219 V221 V233 A242 L243L188-I231 HydrophobicContact CD1-CD1 3.73Å; L188-I231 HydrophobicContact CD1-CG1 3.92Å; L188-I231 HydrophobicContact CD1-CG2 3.95Å; L188-I231 HydrophobicContact CD2-CD1 3.9Å; L188-I231 HydrophobicContact CG-CD1 4.48Å; I219-I231 HydrophobicContact CG2-CG2 3.66Å; V221-I231 HydrophobicContact CG2-CG1 4.38Å; V221-I231 HydrophobicContact CG2-CG2 4.5Å; I231-V233 HydrophobicContact CG2-CG2 4Å; I231-A242 WeakPolarHBondContact O-CA 3.14Å; I231-L243 HydrophobicContact CB-CB 4.12Å; I231-L243 HydrophobicContact CB-CD1 4.12Å; I231-L243 HydrophobicContact CG2-CD1 3.93Å; I231-L243 PolarHBondContact N-O 2.89Å; I231-L243 PolarHBondContact O-N 2.83Å
232L96.1Very high91.7Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-103132.5174.3-58-177.3000108.3I219 A220 R230 Y241 A242 I255 M265 V267 V272 T286I219-L232 WeakPolarHBondContact CA-O 3.5Å; A220-L232 PolarHBondContact N-O 2.85Å; A220-L232 PolarHBondContact O-N 2.85Å; R230-L232 HydrophobicContact CG-CD2 4.04Å; L232-Y241 CarbonylContact C-O 3.51Å; L232-Y241 WeakPolarHBondContact CA-O 3.31Å; L232-A242 HydrophobicContact CD2-CB 3.75Å; L232-I255 HydrophobicContact CD2-CD1 3.73Å; L232-M265 HydrophobicContact CB-CE 4.25Å; L232-M265 HydrophobicContact CB-SD 4.41Å; L232-M265 VanDerWaalsContact O-CE 3.29Å; L232-M265 WeakPolarHBondContact O-CE 3.22Å; L232-V267 HydrophobicContact CD1-CG2 4.04Å; L232-V272 HydrophobicContact CD1-CB 4.4Å; L232-V272 HydrophobicContact CD1-CG1 4.18Å; L232-V272 HydrophobicContact CD1-CG2 3.31Å; L232-T286 HydrophobicContact CD1-CG2 4.25Å
233V97.2Very high91.9Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-129117.2-175.2-172.90000108.6I196 L212 P216 F218 I231 V240 Y241 L243I196-V233 HydrophobicContact CD1-CB 4.21Å; I196-V233 HydrophobicContact CD1-CG1 3.83Å; I196-V233 HydrophobicContact CD1-CG2 3.3Å; L212-V233 HydrophobicContact CD1-CG1 3.83Å; P216-V233 HydrophobicContact CB-CG1 3.58Å; F218-V233 WeakPolarHBondContact O-CA 3.34Å; I231-V233 HydrophobicContact CG2-CG2 4Å; V233-V240 CarbonylContact O-C 3.59Å; V233-V240 VanDerWaalsContact O-CA 3.28Å; V233-V240 WeakPolarHBondContact O-CA 3.41Å; V233-Y241 PolarHBondContact N-O 2.77Å; V233-Y241 PolarHBondContact O-N 2.79Å; V233-L243 HydrophobicContact CG2-CD1 3.42Å; V233-L243 VanDerWaalsContact CG2-CD1 3.42Å; V233-L243 HydrophobicContact CG2-CG 4.27Å
234C97.3Very high92Very high2 Ų235.8 Ų35.81%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-90.9121.8170.7-171.60000108.8C217 F218 V240 A262 M265C217-C234 PolarHBondContact N-O 3.1Å; F218-C234 HydrophobicContact CB-CB 4.19Å; F218-C234 HydrophobicContact CD2-CB 4.34Å; F218-C234 PolarHBondContact N-O 3.43Å; F218-C234 PolarHBondContact O-N 3.38Å; C234-V240 HydrophobicContact CB-CG2 4.3Å; C234-A262 WeakPolarHBondContact SG-CB 3.42Å; C234-M265 HydrophobicContact CB-CE 3.96Å; C234-M265 HydrophobicContact CB-SD 3.92Å
235C97.4Very high91.8Very high2 Ų240.5 Ų40.51%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-103.3163.8-178.2-66.20000112.3A214 V215 N237 A238 N239 Y241A214-C235 HydrophobicContact CB-CB 3.73Å; A214-C235 PolarHBondContact O-SG 2.84Å; V215-C235 CarbonylContact O-C 3.52Å; V215-C235 WeakPolarHBondContact O-CA 3.16Å; V215-C235 VanDerWaalsContact O-CB 3.31Å; V215-C235 WeakPolarHBondContact O-CB 3.42Å; C235-N237 VanDerWaalsContact CB-OD1 3.28Å; C235-N237 WeakPolarHBondContact CB-OD1 3.29Å; C235-N237 PolarHBondContact O-N 2.66Å; C235-A238 PolarHBondContact O-N 3.21Å; C235-A238 VanDerWaalsContact O-N 3.16Å; C235-N239 PolarHBondContact N-O 2.99Å; C235-Y241 HydrophobicContact CB-CD2 4.31Å; C235-Y241 HydrophobicContact CB-CE2 3.98Å; C235-Y241 VanDerWaalsContact SG-CD2 3.57Å
236R95.4Very high91.6Very high105 Ų10542.1 Ų42.140%0.39621%0.212SC..THydrogen-bonded Turntrans-61.8-23.5177.7-71.6-172.8-172.1155.312.4113.4E192 V215 C217 A238 H261E192-R236 IonicContact OE1-CZ 2.73Å; E192-R236 IonicContact OE1-NH1 3.14Å; E192-R236 PolarHBondContact OE1-NH1 3.17Å; E192-R236 IonicContact OE1-NH2 2.74Å; E192-R236 IonicContact OE2-CZ 2.83Å; E192-R236 IonicContact OE2-NH1 3.98Å; E192-R236 PolarHBondContact OE2-NH1 2.73Å; E192-R236 IonicContact OE2-NH2 3.94Å; E192-R236 PolarHBondContact OE2-NH2 2.86Å; V215-R236 HydrophobicContact CB-CB 4.49Å; V215-R236 HydrophobicContact CB-CG 4.24Å; V215-R236 HydrophobicContact CG1-CG 4.46Å; V215-R236 PolarHBondContact O-N 2.96Å; C217-R236 WeakPolarHBondContact SG-CG 3.47Å; R236-A238 PolarHBondContact O-N 2.99Å; R236-H261 PolarHBondContact O-CE1 3.02Å; R236-H261 PolarHBondContact O-ND1 3.08Å
237N94.9Very high91.3Very high63 Ų6343.4 Ų43.434%0.33722%0.216SC..THydrogen-bonded Turntrans-75.916.5174.770.3-12000114.3A214 C235 N239 Y241A214-N237 HydrophobicContact CB-CB 3.9Å; A214-N237 VanDerWaalsContact CB-ND2 3.33Å; A214-N237 WeakPolarHBondContact CB-ND2 3.36Å; C235-N237 VanDerWaalsContact CB-OD1 3.28Å; C235-N237 WeakPolarHBondContact CB-OD1 3.29Å; C235-N237 PolarHBondContact O-N 2.66Å; N237-N239 PolarHBondContact ND2-ND2 3.26Å; N237-N239 VanDerWaalsContact ND2-ND2 3.17Å; N237-N239 PolarHBondContact O-N 2.95Å; N237-N239 VanDerWaalsContact O-N 3.17Å; N237-N239 WeakPolarHBondContact OD1-CB 3.27Å; N237-N239 PolarHBondContact OD1-N 2.84Å; N237-N239 VanDerWaalsContact OD1-N 3.17Å; N237-Y241 PolarHBondContact ND2-OH 3.01Å
238A95.4Very high91Very high13 Ų1349 Ų4911%0.10724%0.24CC..SBendtrans61.417.7-17800000114.5C235 R236 L258C235-A238 PolarHBondContact O-N 3.21Å; C235-A238 VanDerWaalsContact O-N 3.16Å; R236-A238 PolarHBondContact O-N 2.99Å; A238-L258 HydrophobicContact CB-CB 4.2Å; A238-L258 VanDerWaalsContact O-CB 3.28Å; A238-L258 WeakPolarHBondContact O-CB 3.48Å; A238-L258 WeakPolarHBondContact O-CG 3.35Å; A238-L258 PolarHBondContact O-N 3.18Å
239N96.7Very high91Very high29 Ų2950.7 Ų50.716%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-102.3146.6172.8-67.3-49.6000111.6C235 N237 Y241 L256 T257C235-N239 PolarHBondContact N-O 2.99Å; N237-N239 PolarHBondContact ND2-ND2 3.26Å; N237-N239 VanDerWaalsContact ND2-ND2 3.17Å; N237-N239 PolarHBondContact O-N 2.95Å; N237-N239 VanDerWaalsContact O-N 3.17Å; N237-N239 WeakPolarHBondContact OD1-CB 3.27Å; N237-N239 PolarHBondContact OD1-N 2.84Å; N237-N239 VanDerWaalsContact OD1-N 3.17Å; N239-Y241 HydrophobicContact CB-CD2 4.43Å; N239-Y241 HydrophobicContact CB-CE1 4.42Å; N239-Y241 HydrophobicContact CB-CE2 3.65Å; N239-Y241 PolarHBondContact ND2-OH 3.46Å; N239-L256 WeakPolarHBondContact CA-O 2.88Å; N239-T257 WeakPolarHBondContact OD1-CA 3.49Å; N239-T257 WeakPolarHBondContact OD1-CB 3.24Å; N239-T257 WeakPolarHBondContact OD1-CG2 3.37Å; N239-T257 PolarHBondContact OD1-OG1 3.36Å
240V96.9Very high91Very high1 Ų151.2 Ų51.21%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-107.4122.8168.6-171.20000108.9V233 C234 I255 L256 L258 M265 I274V233-V240 CarbonylContact O-C 3.59Å; V233-V240 VanDerWaalsContact O-CA 3.28Å; V233-V240 WeakPolarHBondContact O-CA 3.41Å; C234-V240 HydrophobicContact CB-CG2 4.3Å; V240-I255 HydrophobicContact CB-CG1 4.14Å; V240-I255 HydrophobicContact CG1-CD1 3.97Å; V240-I255 HydrophobicContact CG1-CG1 4.06Å; V240-I255 WeakPolarHBondContact O-CG1 3.05Å; V240-I255 PolarHBondContact O-N 3.01Å; V240-L256 HydrophobicContact CB-CB 4.13Å; V240-L256 HydrophobicContact CG2-CB 4.31Å; V240-L256 HydrophobicContact CG2-CD2 4.19Å; V240-L256 PolarHBondContact N-O 2.51Å; V240-L256 PolarHBondContact O-N 3.08Å; V240-L258 HydrophobicContact CG2-CD1 4.22Å; V240-L258 HydrophobicContact CG2-CG 4.4Å; V240-M265 HydrophobicContact CG1-SD 4.04Å; V240-I274 HydrophobicContact CG2-CD1 3.87Å
241Y96.9Very high91Very high16 Ų1652.7 Ų52.76%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-103.8137.8177.6-59.3-82.6000110P213 L232 V233 C235 N237 N239 I252 K253 P254P213-Y241 HydrophobicContact CB-CE1 4.23Å; P213-Y241 HydrophobicContact CG-CD1 4.22Å; P213-Y241 HydrophobicContact CG-CE1 3.69Å; P213-Y241 HydrophobicContact CG-CE2 4.49Å; L232-Y241 CarbonylContact C-O 3.51Å; L232-Y241 WeakPolarHBondContact CA-O 3.31Å; V233-Y241 PolarHBondContact N-O 2.77Å; V233-Y241 PolarHBondContact O-N 2.79Å; C235-Y241 HydrophobicContact CB-CD2 4.31Å; C235-Y241 HydrophobicContact CB-CE2 3.98Å; C235-Y241 VanDerWaalsContact SG-CD2 3.57Å; N237-Y241 PolarHBondContact ND2-OH 3.01Å; N239-Y241 HydrophobicContact CB-CD2 4.43Å; N239-Y241 HydrophobicContact CB-CE1 4.42Å; N239-Y241 HydrophobicContact CB-CE2 3.65Å; N239-Y241 PolarHBondContact ND2-OH 3.46Å; Y241-I252 HydrophobicContact CD1-CG2 4Å; Y241-I252 HydrophobicContact CG-CG2 4.25Å; Y241-K253 WeakPolarHBondContact CA-O 3.37Å; Y241-P254 HydrophobicContact CD1-CB 4.01Å; Y241-P254 HydrophobicContact CE1-CB 3.89Å
242A95.4Very high91Very high4 Ų455 Ų553%0.03327%0.272CS..EExtended strand (participates in β ladder)trans-100.3123167.200000109.3R230 I231 L232 K253 I255R230-A242 HydrophobicContact CG-CB 4.46Å; R230-A242 VanDerWaalsContact NH2-CB 3.3Å; I231-A242 WeakPolarHBondContact O-CA 3.14Å; L232-A242 HydrophobicContact CD2-CB 3.75Å; A242-K253 PolarHBondContact N-O 2.9Å; A242-K253 PolarHBondContact O-N 3.42Å; A242-I255 HydrophobicContact CB-CD1 4.34Å; A242-I255 HydrophobicContact CB-CG1 4.46Å; A242-I255 HydrophobicContact CB-CG2 3.59Å
243L94.3Very high90.9Very high3 Ų361.4 Ų61.42%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-97.2126.5172.3-61.3157.7000108.4I196 W208 L212 I231 V233 T250 I252I196-L243 HydrophobicContact CD1-CD1 3.88Å; W208-L243 HydrophobicContact CH2-CD1 4.36Å; L212-L243 HydrophobicContact CD2-CD1 4.26Å; L212-L243 HydrophobicContact CD2-CD2 3.97Å; L212-L243 HydrophobicContact CD2-CG 4.46Å; I231-L243 HydrophobicContact CB-CB 4.12Å; I231-L243 HydrophobicContact CB-CD1 4.12Å; I231-L243 HydrophobicContact CG2-CD1 3.93Å; I231-L243 PolarHBondContact N-O 2.89Å; I231-L243 PolarHBondContact O-N 2.83Å; V233-L243 HydrophobicContact CG2-CD1 3.42Å; V233-L243 VanDerWaalsContact CG2-CD1 3.42Å; V233-L243 HydrophobicContact CG2-CG 4.27Å; L243-T250 HydrophobicContact CB-CG2 4.21Å; L243-T250 HydrophobicContact CD2-CG2 3.74Å; L243-I252 HydrophobicContact CD2-CB 4.33Å; L243-I252 HydrophobicContact CD2-CD1 4.23Å; L243-I252 HydrophobicContact CD2-CG1 3.75Å; L243-I252 HydrophobicContact CD2-CG2 4.15Å
244R89.5Confident90.8Very high125 Ų12565.2 Ų65.247%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-127.9125.1169.3-168.4-179.4-166.5173.27.9108.7D228 V246 I251D228-R244 IonicContact OD1-CZ 2.78Å; D228-R244 IonicContact OD1-NE 2.65Å; D228-R244 IonicContact OD1-NH2 3.14Å; D228-R244 PolarHBondContact OD1-NH2 2.8Å; D228-R244 IonicContact OD2-NH2 3.27Å; D228-R244 PolarHBondContact OD2-NH2 3.46Å; D228-R244 VanDerWaalsContact OD2-NH2 3.14Å; R244-V246 HydrophobicContact CG-CG2 4.31Å; R244-I251 PolarHBondContact N-O 2.77Å; R244-I251 VanDerWaalsContact N-O 3.08Å; R244-I251 PolarHBondContact O-N 2.86Å
245R82.2Confident90.7Very high98 Ų9866.5 Ų66.537%0.3733%0.331SS..EExtended strand (participates in β ladder)trans-81.5121.6173.4-168.8171.1177.9168.5-0.3108.9
246V78.8Confident90.5Very high72 Ų7267.6 Ų67.644%0.43634%0.337SS..EExtended strand (participates in β ladder)trans-122106.8174.8-177.70000106.7R244 K248 E249 I251R244-V246 HydrophobicContact CG-CG2 4.31Å; V246-K248 PolarHBondContact O-N 2.93Å; V246-E249 PolarHBondContact N-O 3.18Å; V246-E249 PolarHBondContact O-N 2.93Å; V246-E249 VanDerWaalsContact O-N 3.13Å; V246-E249 VanDerWaalsContact O-O 3.1Å; V246-I251 HydrophobicContact CB-CD1 4.21Å; V246-I251 HydrophobicContact CG2-CD1 3.68Å; V246-I251 HydrophobicContact CG2-CG1 4.31Å
247A74.8Confident90.5Very high93 Ų9367.5 Ų67.577%0.76935%0.348SS*.THydrogen-bonded Turntrans55.2-114.6-170.500000112.6
248K77Confident90.5Very high194 Ų19465 Ų6584%0.84334%0.335SS*.THydrogen-bonded Turntrans-95.6-13179.9-67.3-172.9178.7-177.40113.5V246V246-K248 PolarHBondContact O-N 2.93Å
249E82.8Confident90.3Very high152 Ų15275.2 Ų75.271%0.7137%0.37SS*.EExtended strand (participates in β ladder)trans-100.3151.6-178.7-67.4-176.7-179.700111.2V246V246-E249 PolarHBondContact N-O 3.18Å; V246-E249 PolarHBondContact O-N 2.93Å; V246-E249 VanDerWaalsContact O-N 3.13Å; V246-E249 VanDerWaalsContact O-O 3.1Å
250T87.9Confident90.2Very high34 Ų3475.4 Ų75.421%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-110.1119.2173.2-54.80000109.2W208 L243 I252W208-T250 HydrophobicContact CH2-CG2 4.39Å; W208-T250 HydrophobicContact CZ2-CG2 3.6Å; W208-T250 VanDerWaalsContact CZ2-OG1 3.24Å; W208-T250 WeakPolarHBondContact CZ2-OG1 3.3Å; W208-T250 PolarHBondContact NE1-OG1 3.17Å; L243-T250 HydrophobicContact CB-CG2 4.21Å; L243-T250 HydrophobicContact CD2-CG2 3.74Å; T250-I252 PolarHBondContact O-N 2.67Å
251I90.7Very high90.1Very high95 Ų9580.7 Ų80.749%0.48740%0.398SS..EExtended strand (participates in β ladder)trans-84.7117.1173.9-56.4176.3000107.5R244 V246R244-I251 PolarHBondContact N-O 2.77Å; R244-I251 VanDerWaalsContact N-O 3.08Å; R244-I251 PolarHBondContact O-N 2.86Å; V246-I251 HydrophobicContact CB-CD1 4.21Å; V246-I251 HydrophobicContact CG2-CD1 3.68Å; V246-I251 HydrophobicContact CG2-CG1 4.31Å
252I93.7Very high90.1Very high54 Ų5480.7 Ų80.728%0.27740%0.401SS..EExtended strand (participates in β ladder)trans-99.7114.5173.9-42.7-175.4000107.7C210 Q211 Y241 L243 T250C210-I252 VanDerWaalsContact SG-CD1 3.55Å; Q211-I252 WeakPolarHBondContact O-CD1 3.4Å; Y241-I252 HydrophobicContact CD1-CG2 4Å; Y241-I252 HydrophobicContact CG-CG2 4.25Å; L243-I252 HydrophobicContact CD2-CB 4.33Å; L243-I252 HydrophobicContact CD2-CD1 4.23Å; L243-I252 HydrophobicContact CD2-CG1 3.75Å; L243-I252 HydrophobicContact CD2-CG2 4.15Å; T250-I252 PolarHBondContact O-N 2.67Å
253K93.7Very high90.1Very high134 Ų13481.6 Ų81.658%0.58341%0.409SS*.EExtended strand (participates in β ladder)trans-118.6122.2178.6-175.7172.7179.1174.20110.3Y241 A242 I255Y241-K253 WeakPolarHBondContact CA-O 3.37Å; A242-K253 PolarHBondContact N-O 2.9Å; A242-K253 PolarHBondContact O-N 3.42Å; K253-I255 PolarHBondContact O-N 3.29Å
254P94.4Very high90.2Very high80 Ų8081.6 Ų81.652%0.51941%0.41SS..EExtended strand (participates in β ladder)trans-64.5124.6166.727.5-32000108.5Y241Y241-P254 HydrophobicContact CD1-CB 4.01Å; Y241-P254 HydrophobicContact CE1-CB 3.89Å
255I95Very high90.5Very high29 Ų2976.3 Ų76.315%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-108.6-25.8-179.156.6161.3000112.7L232 V240 A242 K253 G288L232-I255 HydrophobicContact CD2-CD1 3.73Å; V240-I255 HydrophobicContact CB-CG1 4.14Å; V240-I255 HydrophobicContact CG1-CD1 3.97Å; V240-I255 HydrophobicContact CG1-CG1 4.06Å; V240-I255 WeakPolarHBondContact O-CG1 3.05Å; V240-I255 PolarHBondContact O-N 3.01Å; A242-I255 HydrophobicContact CB-CD1 4.34Å; A242-I255 HydrophobicContact CB-CG1 4.46Å; A242-I255 HydrophobicContact CB-CG2 3.59Å; K253-I255 PolarHBondContact O-N 3.29Å; I255-G288 WeakPolarHBondContact O-CA 3.48Å
256L94.1Very high91.1Very high25 Ų2572.5 Ų72.513%0.13138%0.377CS..EExtended strand (participates in β ladder)trans-153138-175-179.967.7000109.8N239 V240 L258 I274 Y284N239-L256 WeakPolarHBondContact CA-O 2.88Å; V240-L256 HydrophobicContact CB-CB 4.13Å; V240-L256 HydrophobicContact CG2-CB 4.31Å; V240-L256 HydrophobicContact CG2-CD2 4.19Å; V240-L256 PolarHBondContact N-O 2.51Å; V240-L256 PolarHBondContact O-N 3.08Å; L256-L258 HydrophobicContact CD2-CD2 3.48Å; L256-L258 VanDerWaalsContact CD2-CD2 3.48Å; L256-L258 HydrophobicContact CD2-CG 4.39Å; L256-L258 HydrophobicContact CG-CD2 3.97Å; L256-I274 HydrophobicContact CD2-CD1 3.48Å; L256-I274 VanDerWaalsContact CD2-CD1 3.48Å; L256-Y284 HydrophobicContact CD1-CD1 3.86Å; L256-Y284 HydrophobicContact CD1-CE1 3.43Å; L256-Y284 VanDerWaalsContact CD1-CE1 3.43Å; L256-Y284 HydrophobicContact CD2-CD1 3.78Å; L256-Y284 HydrophobicContact CD2-CD2 4.02Å; L256-Y284 HydrophobicContact CD2-CE1 3.62Å; L256-Y284 HydrophobicContact CD2-CE2 3.85Å; L256-Y284 HydrophobicContact CD2-CG 3.99Å; L256-Y284 HydrophobicContact CG-CD1 4.46Å; L256-Y284 HydrophobicContact CG-CE1 4.18Å
257T95.4Very high91.8Very high104 Ų10470 Ų7064%0.63836%0.362SS*.EExtended strand (participates in β ladder)trans-111.5120.2166.4-59.50000107.7N239N239-T257 WeakPolarHBondContact OD1-CA 3.49Å; N239-T257 WeakPolarHBondContact OD1-CB 3.24Å; N239-T257 WeakPolarHBondContact OD1-CG2 3.37Å; N239-T257 PolarHBondContact OD1-OG1 3.36Å
258L94.5Very high92.6Very high11 Ų1166 Ų666%0.05833%0.328CS..  trans-83.4155177.9-55.6170.9000109.7A238 V240 L256 C260 A262 I274 T276A238-L258 HydrophobicContact CB-CB 4.2Å; A238-L258 VanDerWaalsContact O-CB 3.28Å; A238-L258 WeakPolarHBondContact O-CB 3.48Å; A238-L258 WeakPolarHBondContact O-CG 3.35Å; A238-L258 PolarHBondContact O-N 3.18Å; V240-L258 HydrophobicContact CG2-CD1 4.22Å; V240-L258 HydrophobicContact CG2-CG 4.4Å; L256-L258 HydrophobicContact CD2-CD2 3.48Å; L256-L258 VanDerWaalsContact CD2-CD2 3.48Å; L256-L258 HydrophobicContact CD2-CG 4.39Å; L256-L258 HydrophobicContact CG-CD2 3.97Å; L258-C260 VanDerWaalsContact C-N 3.34Å; L258-C260 VanDerWaalsContact CB-O 3.25Å; L258-C260 WeakPolarHBondContact CB-O 3.44Å; L258-A262 HydrophobicContact CD1-CB 3.94Å; L258-I274 HydrophobicContact CD1-CG2 3.89Å; L258-I274 HydrophobicContact CD2-CD1 4.27Å; L258-I274 HydrophobicContact CD2-CG2 3.93Å; L258-T276 HydrophobicContact CB-CG2 4.35Å; L258-T276 HydrophobicContact CD1-CG2 4.28Å; L258-T276 HydrophobicContact CD2-CG2 4.12Å; L258-T276 HydrophobicContact CG-CG2 4.5Å
259R92.3Very high93Very high226 Ų22661.3 Ų61.385%0.85331%0.309SS*.SBendtrans-73.9-28.3177.8-68.9-179.7176.9174.7-4.6112.7
260C93.7Very high93.2Very high34 Ų3454.8 Ų54.823%0.2328%0.283CS..SBendtrans-148.6179.9176.566.10000109.4L258 M277 D278L258-C260 VanDerWaalsContact C-N 3.34Å; L258-C260 VanDerWaalsContact CB-O 3.25Å; L258-C260 WeakPolarHBondContact CB-O 3.44Å; C260-M277 PolarHBondContact SG-N 2.84Å; C260-M277 VanDerWaalsContact SG-N 3.45Å; C260-D278 VanDerWaalsContact SG-CG 3.56Å; C260-D278 PolarHBondContact SG-N 3.45Å; C260-D278 VanDerWaalsContact SG-N 3.41Å; C260-D278 PolarHBondContact SG-OD1 3.17Å
261H95.6Very high93.4Very high111 Ų11156.2 Ų56.251%0.51429%0.286SS..  trans-61.2146.3-179.6-59.5-73.6000112R236 T276 M277R236-H261 PolarHBondContact O-CE1 3.02Å; R236-H261 PolarHBondContact O-ND1 3.08Å; H261-T276 WeakPolarHBondContact O-CA 3.19Å; H261-M277 HydrophobicContact CB-CG 4.16Å; H261-M277 WeakPolarHBondContact O-CG 3.47Å; H261-M277 PolarHBondContact O-N 3.01Å
262A96.3Very high93.6Very high16 Ų1651.9 Ų51.913%0.13226%0.264CS..EExtended strand (participates in β ladder)trans-74.4137.5170.600000110.4F218 C234 L258 I274 G275F218-A262 HydrophobicContact CD2-CB 4.26Å; F218-A262 HydrophobicContact CE2-CB 4.21Å; F218-A262 WeakPolarHBondContact CE2-O 3.36Å; C234-A262 WeakPolarHBondContact SG-CB 3.42Å; L258-A262 HydrophobicContact CD1-CB 3.94Å; A262-I274 HydrophobicContact CB-CG2 4Å; A262-G275 CarbonylContact C-O 3.56Å; A262-G275 VanDerWaalsContact CA-O 3.29Å; A262-G275 WeakPolarHBondContact CA-O 3.37Å
263A95.9Very high93.7Very high23 Ų2349.4 Ų49.419%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-88.9-19.2166.300000111.9F218 G275 M277 I300F218-A263 VanDerWaalsContact CZ-O 3.27Å; F218-A263 WeakPolarHBondContact CZ-O 3.34Å; A263-G275 PolarHBondContact N-O 3.46Å; A263-M277 HydrophobicContact CB-SD 4.01Å; A263-I300 HydrophobicContact CB-CB 3.98Å; A263-I300 HydrophobicContact CB-CG2 4.02Å
264G95.6Very high93.9Very high4 Ų443.2 Ų43.24%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-174.2155.6174.800000112.6I274 G275G264-I274 WeakPolarHBondContact O-CA 3.29Å; G264-G275 PolarHBondContact N-O 2.74Å; G264-G275 PolarHBondContact O-N 3.01Å
265M96.2Very high94Very high13 Ų1339.4 Ų39.46%0.06420%0.2CC..EExtended strand (participates in β ladder)trans-141126.4177179.3175.270.300110F218 A220 L232 C234 V240 V272 F273 I274F218-M265 HydrophobicContact CB-CB 3.94Å; F218-M265 HydrophobicContact CB-CE 4.09Å; F218-M265 HydrophobicContact CG-CB 4.41Å; F218-M265 VanDerWaalsContact O-CE 3.27Å; F218-M265 WeakPolarHBondContact O-CE 3.38Å; A220-M265 HydrophobicContact CB-CE 3.8Å; A220-M265 HydrophobicContact CB-CG 4.3Å; L232-M265 HydrophobicContact CB-CE 4.25Å; L232-M265 HydrophobicContact CB-SD 4.41Å; L232-M265 VanDerWaalsContact O-CE 3.29Å; L232-M265 WeakPolarHBondContact O-CE 3.22Å; C234-M265 HydrophobicContact CB-CE 3.96Å; C234-M265 HydrophobicContact CB-SD 3.92Å; V240-M265 HydrophobicContact CG1-SD 4.04Å; M265-V272 HydrophobicContact CG-CG1 3.83Å; M265-V272 HydrophobicContact SD-CG1 4.21Å; M265-F273 WeakPolarHBondContact CA-O 2.76Å; M265-I274 HydrophobicContact CB-CG1 4.43Å; M265-I274 HydrophobicContact CG-CG1 3.99Å; M265-I274 HydrophobicContact SD-CG1 4.43Å
266I95.3Very high94.1Very high18 Ų1838.5 Ų38.59%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-136.7139.1-178.8-59.6161000109.2V268 F273 M303 E305 V316I266-V268 HydrophobicContact CG2-CG2 3.82Å; I266-F273 PolarHBondContact N-O 2.95Å; I266-F273 PolarHBondContact O-N 3.43Å; I266-M303 HydrophobicContact CD1-CB 3.52Å; I266-M303 HydrophobicContact CD1-CE 4.27Å; I266-M303 HydrophobicContact CG1-CB 4.45Å; I266-E305 HydrophobicContact CG2-CB 3.89Å; I266-E305 HydrophobicContact CG2-CG 4.48Å; I266-V316 HydrophobicContact CB-CG2 4.26Å; I266-V316 HydrophobicContact CD1-CG1 3.7Å; I266-V316 HydrophobicContact CD1-CG2 4.45Å; I266-V316 HydrophobicContact CG2-CG2 4.13Å
267V93.6Very high94.2Very high20 Ų2042.9 Ų42.912%0.12122%0.217CC..EExtended strand (participates in β ladder)trans-101.4126172.61720000108.7A220 K222 L232 K271 V272A220-V267 HydrophobicContact CB-CB 4.27Å; A220-V267 HydrophobicContact CB-CG2 3.48Å; A220-V267 VanDerWaalsContact CB-CG2 3.48Å; K222-V267 HydrophobicContact CB-CG1 4.34Å; L232-V267 HydrophobicContact CD1-CG2 4.04Å; V267-K271 CarbonylContact C-O 3.56Å; V267-K271 VanDerWaalsContact CA-O 3.28Å; V267-K271 WeakPolarHBondContact CA-O 3.23Å; V267-V272 HydrophobicContact CG2-CG1 4.25Å; V267-V272 HydrophobicContact CG2-CG2 4.21Å
268V91Very high94.2Very high8 Ų840.6 Ų40.65%0.04820%0.201CC..EExtended strand (participates in β ladder)trans-134.5131.9177.4176.60000108.6I266 G270 K271 F273 E305 E314 V316I266-V268 HydrophobicContact CG2-CG2 3.82Å; V268-G270 PolarHBondContact O-N 2.93Å; V268-K271 PolarHBondContact N-O 3Å; V268-K271 PolarHBondContact O-N 3.39Å; V268-K271 VanDerWaalsContact O-O 3.1Å; V268-F273 HydrophobicContact CB-CD2 4.39Å; V268-F273 HydrophobicContact CB-CE2 4.21Å; V268-F273 HydrophobicContact CG2-CD2 4.49Å; V268-E305 HydrophobicContact CG2-CG 4.18Å; V268-E314 HydrophobicContact CG1-CB 3.43Å; V268-E314 VanDerWaalsContact CG1-CB 3.43Å; V268-V316 HydrophobicContact CB-CG2 4.46Å; V268-V316 HydrophobicContact CG2-CG2 3.52Å
269E85.7Confident94.3Very high96 Ų9641.8 Ų41.845%0.44921%0.207SC..THydrogen-bonded Turntrans46.435-177.1-61.8-172.1178.800114.3K271 E314E269-K271 PolarHBondContact O-N 3.19Å; E269-E314 HydrophobicContact CG-CB 4.18Å; E269-E314 HydrophobicContact CG-CG 4.42Å; E269-E314 WeakPolarHBondContact CG-OE2 3.39Å; E269-E314 PolarHBondContact N-OE2 2.94Å
270G86.7Confident94.4Very high15 Ų1531.8 Ų31.816%0.15517%0.172CC..THydrogen-bonded Turntrans69.216-179.200000115.6K222 V268 T286K222-G270 PolarHBondContact NZ-O 2.79Å; V268-G270 PolarHBondContact O-N 2.93Å; G270-T286 WeakPolarHBondContact O-CG2 3.34Å
271K92.8Very high94.6Very high65 Ų6530.1 Ų30.128%0.28316%0.161SC..EExtended strand (participates in β ladder)trans-112.6161.5167.4-56.7170.7-165.1161.70108.7V267 V268 E269 F283 L291 D330V267-K271 CarbonylContact C-O 3.56Å; V267-K271 VanDerWaalsContact CA-O 3.28Å; V267-K271 WeakPolarHBondContact CA-O 3.23Å; V268-K271 PolarHBondContact N-O 3Å; V268-K271 PolarHBondContact O-N 3.39Å; V268-K271 VanDerWaalsContact O-O 3.1Å; E269-K271 PolarHBondContact O-N 3.19Å; K271-F283 HydrophobicContact CB-CD2 4.3Å; K271-F283 HydrophobicContact CB-CE2 3.44Å; K271-F283 VanDerWaalsContact CB-CE2 3.44Å; K271-F283 HydrophobicContact CB-CZ 3.73Å; K271-F283 HydrophobicContact CD-CE1 3.66Å; K271-F283 HydrophobicContact CD-CE2 3.76Å; K271-F283 HydrophobicContact CD-CZ 3.08Å; K271-F283 HydrophobicContact CG-CE2 4.25Å; K271-F283 HydrophobicContact CG-CZ 4.02Å; K271-L291 HydrophobicContact CD-CD1 4.15Å; K271-L291 HydrophobicContact CG-CD1 4.49Å; K271-D330 IonicContact NZ-OD1 3.17Å; K271-D330 PolarHBondContact NZ-OD1 3.17Å
272V94.8Very high94.5Very high4 Ų425 Ų252%0.02414%0.137CC..EExtended strand (participates in β ladder)trans-119.2124-171.4-162.50000109.1L232 M265 V267 I274 Y284 T286L232-V272 HydrophobicContact CD1-CB 4.4Å; L232-V272 HydrophobicContact CD1-CG1 4.18Å; L232-V272 HydrophobicContact CD1-CG2 3.31Å; M265-V272 HydrophobicContact CG-CG1 3.83Å; M265-V272 HydrophobicContact SD-CG1 4.21Å; V267-V272 HydrophobicContact CG2-CG1 4.25Å; V267-V272 HydrophobicContact CG2-CG2 4.21Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; V272-Y284 PolarHBondContact N-O 2.92Å; V272-Y284 PolarHBondContact O-N 3.09Å; V272-T286 HydrophobicContact CG2-CG2 4.04Å
273F96Very high94.5Very high2 Ų224.5 Ų24.51%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-97.1129.9166.8-71.1-94.4000108.8M265 I266 V268 L281 G282 F283 W292 M303 V316M265-F273 WeakPolarHBondContact CA-O 2.76Å; I266-F273 PolarHBondContact N-O 2.95Å; I266-F273 PolarHBondContact O-N 3.43Å; V268-F273 HydrophobicContact CB-CD2 4.39Å; V268-F273 HydrophobicContact CB-CE2 4.21Å; V268-F273 HydrophobicContact CG2-CD2 4.49Å; F273-L281 HydrophobicContact CB-CD1 4.43Å; F273-L281 HydrophobicContact CD1-CD1 4.33Å; F273-L281 HydrophobicContact CD1-CD2 4.29Å; F273-L281 HydrophobicContact CD1-CG 4.36Å; F273-G282 WeakPolarHBondContact CA-O 3.31Å; F273-F283 HydrophobicContact CD1-CB 4.49Å; F273-F283 AromaticContact CD1-CD2 3.76Å; F273-F283 HydrophobicContact CD1-CD2 3.76Å; F273-F283 HydrophobicContact CD1-CE2 4.37Å; F273-F283 AromaticContact CD2-CD2 3.82Å; F273-F283 HydrophobicContact CD2-CD2 3.82Å; F273-F283 AromaticContact CD2-CE2 3.79Å; F273-F283 HydrophobicContact CD2-CE2 3.79Å; F273-F283 HydrophobicContact CE1-CB 4.42Å; F273-F283 AromaticContact CE1-CD2 3.52Å; F273-F283 HydrophobicContact CE1-CD2 3.52Å; F273-F283 AromaticContact CE1-CE2 3.85Å; F273-F283 HydrophobicContact CE1-CE2 3.85Å; F273-F283 HydrophobicContact CE1-CG 4.18Å; F273-F283 AromaticContact CE2-CD2 3.6Å; F273-F283 HydrophobicContact CE2-CD2 3.6Å; F273-F283 AromaticContact CE2-CE2 3.2Å; F273-F283 HydrophobicContact CE2-CE2 3.2Å; F273-F283 HydrophobicContact CE2-CZ 4.17Å; F273-F283 AromaticContact CG-CD2 3.92Å; F273-F283 HydrophobicContact CG-CD2 3.92Å; F273-F283 HydrophobicContact CG-CE2 4.36Å; F273-F283 AromaticContact CZ-CD2 3.43Å; F273-F283 HydrophobicContact CZ-CD2 3.43Å; F273-F283 VanDerWaalsContact CZ-CD2 3.43Å; F273-F283 AromaticContact CZ-CE2 3.22Å; F273-F283 HydrophobicContact CZ-CE2 3.22Å; F273-F283 HydrophobicContact CZ-CG 4.34Å; F273-F283 AromaticContact CZ-CZ 3.95Å; F273-F283 HydrophobicContact CZ-CZ 3.95Å; F273-W292 HydrophobicContact CD1-CH2 4.34Å; F273-W292 HydrophobicContact CD1-CZ2 4.41Å; F273-W292 AromaticContact CE1-CH2 3.91Å; F273-W292 HydrophobicContact CE1-CH2 3.91Å; F273-W292 AromaticContact CE1-CZ2 3.65Å; F273-W292 HydrophobicContact CE1-CZ2 3.65Å; F273-W292 HydrophobicContact CZ-CZ2 4.47Å; F273-M303 HydrophobicContact CB-CE 4.32Å; F273-V316 HydrophobicContact CB-CG1 4.43Å; F273-V316 HydrophobicContact CB-CG2 3.93Å; F273-V316 HydrophobicContact CD1-CB 4.48Å; F273-V316 HydrophobicContact CD1-CG2 4.32Å; F273-V316 HydrophobicContact CD2-CB 4.29Å; F273-V316 HydrophobicContact CD2-CG2 3.32Å; F273-V316 HydrophobicContact CE2-CG2 3.78Å; F273-V316 HydrophobicContact CG-CB 4.2Å; F273-V316 HydrophobicContact CG-CG2 3.61Å; F273-V316 HydrophobicContact CZ-CG2 4.46Å
274I96.8Very high94.4Very high3 Ų324.5 Ų24.52%0.01513%0.128CC..EExtended strand (participates in β ladder)trans-127.5118175.6-60.3166.2000107.5V240 L256 L258 A262 G264 M265 V272 T276 G282 Y284V240-I274 HydrophobicContact CG2-CD1 3.87Å; L256-I274 HydrophobicContact CD2-CD1 3.48Å; L256-I274 VanDerWaalsContact CD2-CD1 3.48Å; L258-I274 HydrophobicContact CD1-CG2 3.89Å; L258-I274 HydrophobicContact CD2-CD1 4.27Å; L258-I274 HydrophobicContact CD2-CG2 3.93Å; A262-I274 HydrophobicContact CB-CG2 4Å; G264-I274 WeakPolarHBondContact O-CA 3.29Å; M265-I274 HydrophobicContact CB-CG1 4.43Å; M265-I274 HydrophobicContact CG-CG1 3.99Å; M265-I274 HydrophobicContact SD-CG1 4.43Å; V272-I274 HydrophobicContact CG1-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; I274-T276 HydrophobicContact CG2-CG2 4.17Å; I274-G282 PolarHBondContact N-O 2.97Å; I274-G282 PolarHBondContact O-N 2.89Å; I274-Y284 HydrophobicContact CB-CD2 4.43Å; I274-Y284 HydrophobicContact CB-CE2 4.17Å; I274-Y284 HydrophobicContact CD1-CD2 3.89Å; I274-Y284 HydrophobicContact CD1-CE2 4.08Å; I274-Y284 HydrophobicContact CG1-CD2 4.31Å; I274-Y284 HydrophobicContact CG1-CE2 4.48Å
275G96.8Very high94.3Very high0 Ų026.1 Ų26.10%014%0.137CC..EExtended strand (participates in β ladder)trans-90.3129.916900000109.5A262 A263 G264 C280A262-G275 CarbonylContact C-O 3.56Å; A262-G275 VanDerWaalsContact CA-O 3.29Å; A262-G275 WeakPolarHBondContact CA-O 3.37Å; A263-G275 PolarHBondContact N-O 3.46Å; G264-G275 PolarHBondContact N-O 2.74Å; G264-G275 PolarHBondContact O-N 3.01Å; G275-C280 WeakPolarHBondContact CA-O 3.18Å
276T97.2Very high94.1Very high11 Ų1126.4 Ų26.47%0.06714%0.139CC..EExtended strand (participates in β ladder)trans-109.4158.1178.949.60000111.4L258 H261 I274 D278 D279 C280L258-T276 HydrophobicContact CB-CG2 4.35Å; L258-T276 HydrophobicContact CD1-CG2 4.28Å; L258-T276 HydrophobicContact CD2-CG2 4.12Å; L258-T276 HydrophobicContact CG-CG2 4.5Å; H261-T276 WeakPolarHBondContact O-CA 3.19Å; I274-T276 HydrophobicContact CG2-CG2 4.17Å; T276-D278 WeakPolarHBondContact CB-OD1 3.31Å; T276-D278 PolarHBondContact O-N 2.84Å; T276-D278 PolarHBondContact OG1-OD1 3.48Å; T276-D279 PolarHBondContact O-N 3.18Å; T276-C280 PolarHBondContact N-O 2.78Å; T276-C280 WeakPolarHBondContact OG1-CB 3.37Å; T276-C280 PolarHBondContact OG1-O 3.43Å; T276-C280 VanDerWaalsContact OG1-O 3.09Å
277M96.1Very high93.9Very high116 Ų11628.7 Ų28.757%0.57116%0.161SC*.THydrogen-bonded Turntrans-67.7-9.7-176.6-69.8-68.5-69.600114.5C260 H261 A263 D279C260-M277 PolarHBondContact SG-N 2.84Å; C260-M277 VanDerWaalsContact SG-N 3.45Å; H261-M277 HydrophobicContact CB-CG 4.16Å; H261-M277 WeakPolarHBondContact O-CG 3.47Å; H261-M277 PolarHBondContact O-N 3.01Å; A263-M277 HydrophobicContact CB-SD 4.01Å; M277-D279 PolarHBondContact O-N 2.77Å
278D95.1Very high93.8Very high57 Ų5728.3 Ų28.331%0.30516%0.161SC..THydrogen-bonded Turntrans-90.629172.965.2-22.6000112.6C260 T276 C280 Q295C260-D278 VanDerWaalsContact SG-CG 3.56Å; C260-D278 PolarHBondContact SG-N 3.45Å; C260-D278 VanDerWaalsContact SG-N 3.41Å; C260-D278 PolarHBondContact SG-OD1 3.17Å; T276-D278 WeakPolarHBondContact CB-OD1 3.31Å; T276-D278 PolarHBondContact O-N 2.84Å; T276-D278 PolarHBondContact OG1-OD1 3.48Å; D278-C280 PolarHBondContact O-N 3.02Å; D278-C280 WeakPolarHBondContact OD1-CB 3.42Å; D278-Q295 PolarHBondContact O-NE2 3.13Å
279D96Very high93.9Very high35 Ų3535.1 Ų35.119%0.18719%0.19CC..THydrogen-bonded Turntrans55.934.6179.2-41.7-30.2000113.1T276 M277 Q295 L296 N299T276-D279 PolarHBondContact O-N 3.18Å; M277-D279 PolarHBondContact O-N 2.77Å; D279-Q295 PolarHBondContact O-NE2 3.16Å; D279-L296 HydrophobicContact CB-CB 4.44Å; D279-L296 WeakPolarHBondContact O-CA 3.13Å; D279-L296 VanDerWaalsContact O-CB 3.23Å; D279-L296 WeakPolarHBondContact O-CB 3.25Å; D279-L296 WeakPolarHBondContact O-CG 3.37Å; D279-L296 PolarHBondContact O-N 3.14Å; D279-N299 WeakPolarHBondContact OD1-CA 3.47Å; D279-N299 WeakPolarHBondContact OD1-CB 3.44Å; D279-N299 VanDerWaalsContact OD1-CG 3.24Å; D279-N299 PolarHBondContact OD1-N 2.79Å; D279-N299 PolarHBondContact OD1-OD1 3.36Å; D279-N299 VanDerWaalsContact OD1-OD1 3.09Å; D279-N299 PolarHBondContact OD2-OD1 2.82Å
280C96Very high94.3Very high16 Ų1635.4 Ų35.411%0.10819%0.19CC..EExtended strand (participates in β ladder)trans-115.1130.7-177.3-174.60000111G275 T276 D278 S293G275-C280 WeakPolarHBondContact CA-O 3.18Å; T276-C280 PolarHBondContact N-O 2.78Å; T276-C280 WeakPolarHBondContact OG1-CB 3.37Å; T276-C280 PolarHBondContact OG1-O 3.43Å; T276-C280 VanDerWaalsContact OG1-O 3.09Å; D278-C280 PolarHBondContact O-N 3.02Å; D278-C280 WeakPolarHBondContact OD1-CB 3.42Å; C280-S293 PolarHBondContact SG-OG 3.08Å
281L96.2Very high94.6Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-100.3113.3169.9-174.365000108.8F273 W292 S293 K294 L296 M303 V318 Y328F273-L281 HydrophobicContact CB-CD1 4.43Å; F273-L281 HydrophobicContact CD1-CD1 4.33Å; F273-L281 HydrophobicContact CD1-CD2 4.29Å; F273-L281 HydrophobicContact CD1-CG 4.36Å; L281-W292 HydrophobicContact CB-CZ3 4.46Å; L281-W292 HydrophobicContact CD2-CH2 3.88Å; L281-W292 HydrophobicContact CD2-CZ3 4.29Å; L281-W292 HydrophobicContact CG-CH2 4.16Å; L281-W292 HydrophobicContact CG-CZ3 4.25Å; L281-W292 WeakPolarHBondContact O-CZ3 3.33Å; L281-S293 CarbonylContact O-C 3.54Å; L281-S293 VanDerWaalsContact O-CA 3.27Å; L281-S293 WeakPolarHBondContact O-CA 3.5Å; L281-K294 PolarHBondContact N-O 3.32Å; L281-K294 PolarHBondContact O-N 2.77Å; L281-L296 HydrophobicContact CB-CD1 4.11Å; L281-L296 HydrophobicContact CB-CD2 4.15Å; L281-L296 HydrophobicContact CB-CG 4.23Å; L281-M303 HydrophobicContact CD1-CE 3.76Å; L281-V318 HydrophobicContact CD1-CG2 4.3Å; L281-V318 HydrophobicContact CD2-CG2 4.17Å; L281-Y328 HydrophobicContact CD2-CD1 3.98Å; L281-Y328 HydrophobicContact CD2-CD2 3.37Å; L281-Y328 HydrophobicContact CD2-CE1 4.17Å; L281-Y328 HydrophobicContact CD2-CE2 3.56Å; L281-Y328 HydrophobicContact CD2-CG 3.59Å
282G94.7Very high94.7Very high2 Ų237.8 Ų37.82%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-98.6140.9173.500000111.9F273 I274 Y284F273-G282 WeakPolarHBondContact CA-O 3.31Å; I274-G282 PolarHBondContact N-O 2.97Å; I274-G282 PolarHBondContact O-N 2.89Å; G282-Y284 VanDerWaalsContact C-CE2 3.45Å
283F95.2Very high94.6Very high7 Ų740 Ų403%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-117.4124.6174.1-175-128.8000109.9K271 F273 L291 W292 D330K271-F283 HydrophobicContact CB-CD2 4.3Å; K271-F283 HydrophobicContact CB-CE2 3.44Å; K271-F283 VanDerWaalsContact CB-CE2 3.44Å; K271-F283 HydrophobicContact CB-CZ 3.73Å; K271-F283 HydrophobicContact CD-CE1 3.66Å; K271-F283 HydrophobicContact CD-CE2 3.76Å; K271-F283 HydrophobicContact CD-CZ 3.08Å; K271-F283 HydrophobicContact CG-CE2 4.25Å; K271-F283 HydrophobicContact CG-CZ 4.02Å; F273-F283 HydrophobicContact CD1-CB 4.49Å; F273-F283 AromaticContact CD1-CD2 3.76Å; F273-F283 HydrophobicContact CD1-CD2 3.76Å; F273-F283 HydrophobicContact CD1-CE2 4.37Å; F273-F283 AromaticContact CD2-CD2 3.82Å; F273-F283 HydrophobicContact CD2-CD2 3.82Å; F273-F283 AromaticContact CD2-CE2 3.79Å; F273-F283 HydrophobicContact CD2-CE2 3.79Å; F273-F283 HydrophobicContact CE1-CB 4.42Å; F273-F283 AromaticContact CE1-CD2 3.52Å; F273-F283 HydrophobicContact CE1-CD2 3.52Å; F273-F283 AromaticContact CE1-CE2 3.85Å; F273-F283 HydrophobicContact CE1-CE2 3.85Å; F273-F283 HydrophobicContact CE1-CG 4.18Å; F273-F283 AromaticContact CE2-CD2 3.6Å; F273-F283 HydrophobicContact CE2-CD2 3.6Å; F273-F283 AromaticContact CE2-CE2 3.2Å; F273-F283 HydrophobicContact CE2-CE2 3.2Å; F273-F283 HydrophobicContact CE2-CZ 4.17Å; F273-F283 AromaticContact CG-CD2 3.92Å; F273-F283 HydrophobicContact CG-CD2 3.92Å; F273-F283 HydrophobicContact CG-CE2 4.36Å; F273-F283 AromaticContact CZ-CD2 3.43Å; F273-F283 HydrophobicContact CZ-CD2 3.43Å; F273-F283 VanDerWaalsContact CZ-CD2 3.43Å; F273-F283 AromaticContact CZ-CE2 3.22Å; F273-F283 HydrophobicContact CZ-CE2 3.22Å; F273-F283 HydrophobicContact CZ-CG 4.34Å; F273-F283 AromaticContact CZ-CZ 3.95Å; F273-F283 HydrophobicContact CZ-CZ 3.95Å; F283-L291 HydrophobicContact CD1-CB 3.57Å; F283-L291 HydrophobicContact CD1-CD1 3.41Å; F283-L291 VanDerWaalsContact CD1-CD1 3.41Å; F283-L291 HydrophobicContact CD1-CG 4.09Å; F283-L291 HydrophobicContact CE1-CB 4.31Å; F283-L291 HydrophobicContact CE1-CD1 3.43Å; F283-L291 VanDerWaalsContact CE1-CD1 3.43Å; F283-L291 HydrophobicContact CG-CB 4.35Å; F283-L291 HydrophobicContact CG-CD1 4.25Å; F283-L291 HydrophobicContact CZ-CD1 4.24Å; F283-L291 WeakPolarHBondContact O-CB 3.42Å; F283-L291 PolarHBondContact O-N 2.85Å; F283-W292 HydrophobicContact CB-CD2 3.62Å; F283-W292 HydrophobicContact CB-CE3 4.19Å; F283-W292 HydrophobicContact CB-CG 4.03Å; F283-W292 HydrophobicContact CB-CH2 4.1Å; F283-W292 HydrophobicContact CB-CZ2 3.56Å; F283-W292 HydrophobicContact CB-CZ3 4.38Å; F283-W292 AromaticContact CD1-CD1 3.46Å; F283-W292 VanDerWaalsContact CD1-CD1 3.46Å; F283-W292 HydrophobicContact CD1-CD2 4.46Å; F283-W292 AromaticContact CD1-CE2 3.68Å; F283-W292 HydrophobicContact CD1-CG 4.33Å; F283-W292 HydrophobicContact CD1-CZ2 4.26Å; F283-W292 AromaticContact CD1-NE1 2.94Å; F283-W292 AromaticContact CE1-NE1 3.6Å; F283-W292 HydrophobicContact CG-CD2 4.44Å; F283-W292 AromaticContact CG-CE2 3.69Å; F283-W292 AromaticContact CG-CZ2 3.94Å; F283-W292 HydrophobicContact CG-CZ2 3.94Å; F283-W292 AromaticContact CG-NE1 3.46Å; F283-W292 PolarHBondContact N-O 3.23Å; F283-W292 PolarHBondContact O-N 2.9Å; F283-D330 VanDerWaalsContact CE1-O 3.23Å; F283-D330 WeakPolarHBondContact CE1-O 3.42Å; F283-D330 WeakPolarHBondContact CZ-O 3.04Å
284Y94.8Very high94.5Very high23 Ų2342.4 Ų42.49%0.0922%0.224CC..EExtended strand (participates in β ladder)trans-131.4152.4-170.4-56.7-93.5000110.7L256 V272 I274 G282 K289 K290L256-Y284 HydrophobicContact CD1-CD1 3.86Å; L256-Y284 HydrophobicContact CD1-CE1 3.43Å; L256-Y284 VanDerWaalsContact CD1-CE1 3.43Å; L256-Y284 HydrophobicContact CD2-CD1 3.78Å; L256-Y284 HydrophobicContact CD2-CD2 4.02Å; L256-Y284 HydrophobicContact CD2-CE1 3.62Å; L256-Y284 HydrophobicContact CD2-CE2 3.85Å; L256-Y284 HydrophobicContact CD2-CG 3.99Å; L256-Y284 HydrophobicContact CG-CD1 4.46Å; L256-Y284 HydrophobicContact CG-CE1 4.18Å; V272-Y284 PolarHBondContact N-O 2.92Å; V272-Y284 PolarHBondContact O-N 3.09Å; I274-Y284 HydrophobicContact CB-CD2 4.43Å; I274-Y284 HydrophobicContact CB-CE2 4.17Å; I274-Y284 HydrophobicContact CD1-CD2 3.89Å; I274-Y284 HydrophobicContact CD1-CE2 4.08Å; I274-Y284 HydrophobicContact CG1-CD2 4.31Å; I274-Y284 HydrophobicContact CG1-CE2 4.48Å; G282-Y284 VanDerWaalsContact C-CE2 3.45Å; Y284-K289 CarbonylContact C-O 3.56Å; Y284-K289 WeakPolarHBondContact CA-O 3.41Å; Y284-K290 VanDerWaalsContact CD1-CA 3.49Å; Y284-K290 HydrophobicContact CD1-CB 3.8Å; Y284-K290 HydrophobicContact CD1-CG 4.15Å; Y284-K290 HydrophobicContact CE1-CB 3.65Å; Y284-K290 HydrophobicContact CE1-CD 4.18Å; Y284-K290 HydrophobicContact CE1-CG 3.7Å
285T93.9Very high94.4Very high37 Ų3747.9 Ų47.923%0.22725%0.25CC..EExtended strand (participates in β ladder)trans-71.8158.6162.264.30000109.9A287 G288 K289 L291T285-A287 PolarHBondContact O-N 3.36Å; T285-A287 PolarHBondContact OG1-N 2.76Å; T285-G288 PolarHBondContact O-N 2.8Å; T285-K289 HydrophobicContact CG2-CB 4.24Å; T285-K289 PolarHBondContact N-O 2.94Å; T285-K289 WeakPolarHBondContact OG1-CB 3.3Å; T285-K289 PolarHBondContact OG1-N 2.93Å; T285-K289 VanDerWaalsContact OG1-N 3.08Å; T285-K289 PolarHBondContact OG1-O 2.96Å; T285-L291 HydrophobicContact CG2-CD1 4.06Å; T285-L291 HydrophobicContact CG2-CD2 3.8Å; T285-L291 HydrophobicContact CG2-CG 3.97Å
286T91.5Very high94.3Very high20 Ų2048.3 Ų48.312%0.12325%0.252CS..THydrogen-bonded Turntrans-60.1-17.5172.951.40000113.6K222 R230 L232 G270 V272 G288K222-T286 HydrophobicContact CD-CG2 3.71Å; R230-T286 PolarHBondContact NE-O 2.96Å; R230-T286 PolarHBondContact NH1-O 2.67Å; R230-T286 PolarHBondContact NH2-O 3.3Å; L232-T286 HydrophobicContact CD1-CG2 4.25Å; G270-T286 WeakPolarHBondContact O-CG2 3.34Å; V272-T286 HydrophobicContact CG2-CG2 4.04Å; T286-G288 VanDerWaalsContact C-N 3.33Å
287A91.1Very high94.1Very high65 Ų6551.8 Ų51.854%0.53727%0.274SS..THydrogen-bonded Turntrans-82.8-6.1175.200000113.9T285T285-A287 PolarHBondContact O-N 3.36Å; T285-A287 PolarHBondContact OG1-N 2.76Å
288G91.1Very high94.2Very high13 Ų1347.2 Ų47.213%0.13425%0.254CS..SBendtrans97.3-5-179.600000115.2I255 T285 T286 K290I255-G288 WeakPolarHBondContact O-CA 3.48Å; T285-G288 PolarHBondContact O-N 2.8Å; T286-G288 VanDerWaalsContact C-N 3.33Å; G288-K290 PolarHBondContact O-N 2.71Å
289K93.7Very high94.3Very high151 Ų15148.5 Ų48.566%0.65726%0.261SS*.  trans-68.2121.6175.8-175.9179.8178.4179.70110.2Y284 T285 L291Y284-K289 CarbonylContact C-O 3.56Å; Y284-K289 WeakPolarHBondContact CA-O 3.41Å; T285-K289 HydrophobicContact CG2-CB 4.24Å; T285-K289 PolarHBondContact N-O 2.94Å; T285-K289 WeakPolarHBondContact OG1-CB 3.3Å; T285-K289 PolarHBondContact OG1-N 2.93Å; T285-K289 VanDerWaalsContact OG1-N 3.08Å; T285-K289 PolarHBondContact OG1-O 2.96Å; K289-L291 PolarHBondContact O-N 2.81Å
290K94.2Very high94.3Very high102 Ų10247.5 Ų47.544%0.44326%0.255SS..EExtended strand (participates in β ladder)trans-66.8124.5172.4-170.5175.9-176.6174.70110.2Y284 G288 S293Y284-K290 VanDerWaalsContact CD1-CA 3.49Å; Y284-K290 HydrophobicContact CD1-CB 3.8Å; Y284-K290 HydrophobicContact CD1-CG 4.15Å; Y284-K290 HydrophobicContact CE1-CB 3.65Å; Y284-K290 HydrophobicContact CE1-CD 4.18Å; Y284-K290 HydrophobicContact CE1-CG 3.7Å; G288-K290 PolarHBondContact O-N 2.71Å; K290-S293 PolarHBondContact NZ-OG 2.81Å
291L93.7Very high94.4Very high79 Ų7949.3 Ų49.341%0.41426%0.264SS..EExtended strand (participates in β ladder)trans-91.3-52.1175.5-65175.3000110.1K271 F283 T285 K289K271-L291 HydrophobicContact CD-CD1 4.15Å; K271-L291 HydrophobicContact CG-CD1 4.49Å; F283-L291 HydrophobicContact CD1-CB 3.57Å; F283-L291 HydrophobicContact CD1-CD1 3.41Å; F283-L291 VanDerWaalsContact CD1-CD1 3.41Å; F283-L291 HydrophobicContact CD1-CG 4.09Å; F283-L291 HydrophobicContact CE1-CB 4.31Å; F283-L291 HydrophobicContact CE1-CD1 3.43Å; F283-L291 VanDerWaalsContact CE1-CD1 3.43Å; F283-L291 HydrophobicContact CG-CB 4.35Å; F283-L291 HydrophobicContact CG-CD1 4.25Å; F283-L291 HydrophobicContact CZ-CD1 4.24Å; F283-L291 WeakPolarHBondContact O-CB 3.42Å; F283-L291 PolarHBondContact O-N 2.85Å; T285-L291 HydrophobicContact CG2-CD1 4.06Å; T285-L291 HydrophobicContact CG2-CD2 3.8Å; T285-L291 HydrophobicContact CG2-CG 3.97Å; K289-L291 PolarHBondContact O-N 2.81Å
292W93.9Very high94.4Very high51 Ų5149.4 Ų49.419%0.19326%0.264CS..EExtended strand (participates in β ladder)trans-154.8174.317257-100.2000110.7F273 L281 F283 K294 Y328 D330F273-W292 HydrophobicContact CD1-CH2 4.34Å; F273-W292 HydrophobicContact CD1-CZ2 4.41Å; F273-W292 AromaticContact CE1-CH2 3.91Å; F273-W292 HydrophobicContact CE1-CH2 3.91Å; F273-W292 AromaticContact CE1-CZ2 3.65Å; F273-W292 HydrophobicContact CE1-CZ2 3.65Å; F273-W292 HydrophobicContact CZ-CZ2 4.47Å; L281-W292 HydrophobicContact CB-CZ3 4.46Å; L281-W292 HydrophobicContact CD2-CH2 3.88Å; L281-W292 HydrophobicContact CD2-CZ3 4.29Å; L281-W292 HydrophobicContact CG-CH2 4.16Å; L281-W292 HydrophobicContact CG-CZ3 4.25Å; L281-W292 WeakPolarHBondContact O-CZ3 3.33Å; F283-W292 HydrophobicContact CB-CD2 3.62Å; F283-W292 HydrophobicContact CB-CE3 4.19Å; F283-W292 HydrophobicContact CB-CG 4.03Å; F283-W292 HydrophobicContact CB-CH2 4.1Å; F283-W292 HydrophobicContact CB-CZ2 3.56Å; F283-W292 HydrophobicContact CB-CZ3 4.38Å; F283-W292 AromaticContact CD1-CD1 3.46Å; F283-W292 VanDerWaalsContact CD1-CD1 3.46Å; F283-W292 HydrophobicContact CD1-CD2 4.46Å; F283-W292 AromaticContact CD1-CE2 3.68Å; F283-W292 HydrophobicContact CD1-CG 4.33Å; F283-W292 HydrophobicContact CD1-CZ2 4.26Å; F283-W292 AromaticContact CD1-NE1 2.94Å; F283-W292 AromaticContact CE1-NE1 3.6Å; F283-W292 HydrophobicContact CG-CD2 4.44Å; F283-W292 AromaticContact CG-CE2 3.69Å; F283-W292 AromaticContact CG-CZ2 3.94Å; F283-W292 HydrophobicContact CG-CZ2 3.94Å; F283-W292 AromaticContact CG-NE1 3.46Å; F283-W292 PolarHBondContact N-O 3.23Å; F283-W292 PolarHBondContact O-N 2.9Å; W292-K294 HydrophobicContact CE3-CB 4.06Å; W292-K294 HydrophobicContact CZ3-CB 3.78Å; W292-Y328 HydrophobicContact CH2-CD1 4.25Å; W292-D330 VanDerWaalsContact CZ2-O 3.26Å; W292-D330 WeakPolarHBondContact CZ2-O 3.41Å; W292-D330 PolarHBondContact NE1-O 3.46Å
293S93.4Very high94.5Very high50 Ų5049.7 Ų49.735%0.3527%0.265SS..EExtended strand (participates in β ladder)trans-152138.6173.1149.90000108.8C280 L281 K290C280-S293 PolarHBondContact SG-OG 3.08Å; L281-S293 CarbonylContact O-C 3.54Å; L281-S293 VanDerWaalsContact O-CA 3.27Å; L281-S293 WeakPolarHBondContact O-CA 3.5Å; K290-S293 PolarHBondContact NZ-OG 2.81Å
294K92.9Very high94.5Very high52 Ų5250.3 Ų50.323%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-129.4128.8-175.1-171.8166.5-177.2170.10109.4L281 W292 Y328L281-K294 PolarHBondContact N-O 3.32Å; L281-K294 PolarHBondContact O-N 2.77Å; W292-K294 HydrophobicContact CE3-CB 4.06Å; W292-K294 HydrophobicContact CZ3-CB 3.78Å; K294-Y328 HydrophobicContact CD-CE1 4.08Å
295Q94.7Very high94.5Very high119 Ų11952.8 Ų52.856%0.55628%0.283SS*.EExtended strand (participates in β ladder)trans-70.2130.7168.7-166.166.127.300108.4D278 D279D278-Q295 PolarHBondContact O-NE2 3.13Å; D279-Q295 PolarHBondContact O-NE2 3.16Å
296L94.8Very high94.5Very high8 Ų851.7 Ų51.74%0.04228%0.275CS..  trans-91.9153.1176.4-58.4170.6000109D279 L281 S298 I300 V318 L320 Y328D279-L296 HydrophobicContact CB-CB 4.44Å; D279-L296 WeakPolarHBondContact O-CA 3.13Å; D279-L296 VanDerWaalsContact O-CB 3.23Å; D279-L296 WeakPolarHBondContact O-CB 3.25Å; D279-L296 WeakPolarHBondContact O-CG 3.37Å; D279-L296 PolarHBondContact O-N 3.14Å; L281-L296 HydrophobicContact CB-CD1 4.11Å; L281-L296 HydrophobicContact CB-CD2 4.15Å; L281-L296 HydrophobicContact CB-CG 4.23Å; L296-S298 PolarHBondContact O-N 2.85Å; L296-I300 HydrophobicContact CD1-CD1 3.46Å; L296-I300 VanDerWaalsContact CD1-CD1 3.46Å; L296-I300 HydrophobicContact CD1-CG1 3.37Å; L296-V318 HydrophobicContact CD1-CG1 4.17Å; L296-L320 HydrophobicContact CB-CD1 4.48Å; L296-L320 HydrophobicContact CB-CD2 4.29Å; L296-L320 HydrophobicContact CD1-CD2 3.86Å; L296-Y328 HydrophobicContact CD2-CE2 4Å; L296-Y328 WeakPolarHBondContact CD2-OH 3.11Å
297P94Very high94.6Very high84 Ų8453.5 Ų53.555%0.54528%0.284SS..SBendtrans-71.3-11.3-179.329-36.7000114L320P297-L320 HydrophobicContact CG-CD1 3.74Å
298S96.7Very high94.6Very high21 Ų2150.7 Ų50.715%0.14726%0.26CS..SBendtrans-164.6171.1-177.8-164.60000111.1L296 N322L296-S298 PolarHBondContact O-N 2.85Å; S298-N322 PolarHBondContact OG-N 2.89Å
299N97Very high94.4Very high84 Ų8454.4 Ų54.445%0.44928%0.282SS..  trans-63.1139.9-175.5-51.125.1000113.3D279 L301 L320 A321D279-N299 WeakPolarHBondContact OD1-CA 3.47Å; D279-N299 WeakPolarHBondContact OD1-CB 3.44Å; D279-N299 VanDerWaalsContact OD1-CG 3.24Å; D279-N299 PolarHBondContact OD1-N 2.79Å; D279-N299 PolarHBondContact OD1-OD1 3.36Å; D279-N299 VanDerWaalsContact OD1-OD1 3.09Å; D279-N299 PolarHBondContact OD2-OD1 2.82Å; N299-L301 PolarHBondContact O-N 3.21Å; N299-L320 CarbonylContact O-C 3.5Å; N299-L320 VanDerWaalsContact O-CA 3.25Å; N299-L320 WeakPolarHBondContact O-CA 3.42Å; N299-A321 HydrophobicContact CB-CB 4.19Å; N299-A321 PolarHBondContact O-N 2.85Å
300I97.5Very high94.1Very high13 Ų1352.4 Ų52.47%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-75.3121.8176-56.2175000109.3A263 L296 M303 V318 L320A263-I300 HydrophobicContact CB-CB 3.98Å; A263-I300 HydrophobicContact CB-CG2 4.02Å; L296-I300 HydrophobicContact CD1-CD1 3.46Å; L296-I300 VanDerWaalsContact CD1-CD1 3.46Å; L296-I300 HydrophobicContact CD1-CG1 3.37Å; I300-M303 HydrophobicContact CG2-CG 3.66Å; I300-M303 HydrophobicContact CG2-SD 4.07Å; I300-V318 HydrophobicContact CB-CG1 4.44Å; I300-V318 HydrophobicContact CD1-CG1 4.3Å; I300-V318 HydrophobicContact CG1-CG1 3.95Å; I300-V318 HydrophobicContact CG2-CG1 3.88Å; I300-L320 HydrophobicContact CG1-CD2 4.19Å
301L96.7Very high93.7Very high54 Ų5451.5 Ų51.528%0.28327%0.271SS..EExtended strand (participates in β ladder)trans-97.4-39.5177-64180000112.6N299 S319 A321 N342 V343 M344N299-L301 PolarHBondContact O-N 3.21Å; L301-S319 PolarHBondContact N-O 3.02Å; L301-A321 HydrophobicContact CD1-CB 4.14Å; L301-A321 HydrophobicContact CD2-CB 4.15Å; L301-A321 HydrophobicContact CG-CB 4.11Å; L301-N342 HydrophobicContact CD1-CB 3.7Å; L301-V343 WeakPolarHBondContact CB-O 3.46Å; L301-M344 HydrophobicContact CD1-SD 4.15Å; L301-M344 HydrophobicContact CD2-SD 4.46Å
302A96.7Very high93.4Very high2 Ų254.2 Ų54.22%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-155.2150.7-179.400000110.5N4 S319 L346N4-A302 HydrophobicContact CB-CB 4.08Å; A302-S319 PolarHBondContact O-N 2.89Å; A302-L346 HydrophobicContact CB-CD2 3.83Å; A302-L346 HydrophobicContact CB-CG 4.41Å
303M97Very high93.2Very high8 Ų851.9 Ų51.94%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-131.4137.6173.8-61.3176.461.300109.9N4 I266 F273 L281 I300 V316 L317 V318N4-M303 PolarHBondContact ND2-O 2.81Å; I266-M303 HydrophobicContact CD1-CB 3.52Å; I266-M303 HydrophobicContact CD1-CE 4.27Å; I266-M303 HydrophobicContact CG1-CB 4.45Å; F273-M303 HydrophobicContact CB-CE 4.32Å; L281-M303 HydrophobicContact CD1-CE 3.76Å; I300-M303 HydrophobicContact CG2-CG 3.66Å; I300-M303 HydrophobicContact CG2-SD 4.07Å; M303-V316 HydrophobicContact CE-CG1 3.84Å; M303-L317 CarbonylContact C-O 3.56Å; M303-L317 VanDerWaalsContact CA-O 3.22Å; M303-L317 WeakPolarHBondContact CA-O 3.23Å; M303-V318 HydrophobicContact CE-CG2 4.32Å; M303-V318 HydrophobicContact CG-CG1 4.28Å; M303-V318 HydrophobicContact CG-CG2 4.37Å
304S95.9Very high93.1Very high20 Ų2052 Ų5214%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-139.2151.6171.8-175.40000111.5L317 L346S304-L317 PolarHBondContact N-O 2.69Å; S304-L317 PolarHBondContact O-N 2.87Å; S304-L346 VanDerWaalsContact CB-O 3.3Å; S304-L346 WeakPolarHBondContact CB-O 3.46Å
305E94.7Very high93.2Very high75 Ų7549.6 Ų49.635%0.3526%0.262SS..EExtended strand (participates in β ladder)trans-65.1139.5165-173.1-177.4168.400109.6I266 V268 N307I266-E305 HydrophobicContact CG2-CB 3.89Å; I266-E305 HydrophobicContact CG2-CG 4.48Å; V268-E305 HydrophobicContact CG2-CG 4.18Å; E305-N307 HydrophobicContact CG-CB 4.28Å; E305-N307 WeakPolarHBondContact OE1-CB 3.31Å; E305-N307 PolarHBondContact OE1-ND2 2.6Å
306M94.2Very high93.2Very high14 Ų1444 Ų447%0.06924%0.235CC..EExtended strand (participates in β ladder)trans-11594.4166.3173.8171.9-17900108F313 E314 A315 L317 V327 F348 L372M306-F313 HydrophobicContact CE-CD1 4.21Å; M306-F313 HydrophobicContact CE-CE1 3.95Å; M306-F313 HydrophobicContact CG-CD1 4.43Å; M306-F313 HydrophobicContact CG-CE1 4.26Å; M306-F313 HydrophobicContact SD-CE1 3.92Å; M306-E314 CarbonylContact O-C 3.45Å; M306-E314 WeakPolarHBondContact O-CA 3.22Å; M306-A315 HydrophobicContact CB-CB 4.33Å; M306-A315 PolarHBondContact N-O 3.11Å; M306-A315 PolarHBondContact O-N 2.98Å; M306-L317 HydrophobicContact CB-CD1 3.85Å; M306-L317 HydrophobicContact CB-CD2 4.35Å; M306-L317 HydrophobicContact CB-CG 3.79Å; M306-L317 HydrophobicContact SD-CD2 3.89Å; M306-L317 HydrophobicContact SD-CG 4.36Å; M306-V327 HydrophobicContact SD-CG1 3.96Å; M306-F348 HydrophobicContact CB-CB 4.4Å; M306-F348 HydrophobicContact CB-CD1 4.28Å; M306-F348 HydrophobicContact CB-CG 4.26Å; M306-F348 HydrophobicContact CE-CD2 4.38Å; M306-F348 HydrophobicContact CE-CE1 4.37Å; M306-F348 HydrophobicContact CE-CE2 3.76Å; M306-F348 HydrophobicContact CE-CZ 3.73Å; M306-F348 HydrophobicContact CG-CD1 3.74Å; M306-F348 HydrophobicContact CG-CD2 4.13Å; M306-F348 HydrophobicContact CG-CE1 3.88Å; M306-F348 HydrophobicContact CG-CE2 4.26Å; M306-F348 HydrophobicContact CG-CG 3.85Å; M306-F348 HydrophobicContact CG-CZ 4.13Å; M306-F348 HydrophobicContact SD-CD2 4.47Å; M306-F348 HydrophobicContact SD-CE2 4.41Å; M306-L372 HydrophobicContact CE-CD2 4.26Å
307N92Very high93.3Very high58 Ų5843.6 Ų43.631%0.3123%0.233SC..EExtended strand (participates in β ladder)trans-102.7116.1175.2-167.2-24.3000109.9E305 P309 F348E305-N307 HydrophobicContact CG-CB 4.28Å; E305-N307 WeakPolarHBondContact OE1-CB 3.31Å; E305-N307 PolarHBondContact OE1-ND2 2.6Å; N307-P309 WeakPolarHBondContact OD1-CD 3.11Å; N307-F348 WeakPolarHBondContact O-CE1 3.5Å
308Y92.2Very high93.5Very high6 Ų639.6 Ų39.62%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-12487.1176.9-169.7-119.5000110.6Q310 K311 N312 F313 F348 L372 L378Y308-Q310 HydrophobicContact CD1-CB 4.37Å; Y308-Q310 HydrophobicContact CE1-CB 3.88Å; Y308-Q310 HydrophobicContact CE2-CB 4.24Å; Y308-Q310 HydrophobicContact CE2-CG 4.35Å; Y308-Q310 VanDerWaalsContact CZ-OE1 3.23Å; Y308-Q310 PolarHBondContact O-N 3.12Å; Y308-Q310 VanDerWaalsContact O-N 3.11Å; Y308-Q310 PolarHBondContact OH-OE1 3.4Å; Y308-K311 HydrophobicContact CD1-CB 3.99Å; Y308-K311 HydrophobicContact CD1-CD 4.44Å; Y308-K311 HydrophobicContact CD1-CG 4.07Å; Y308-K311 HydrophobicContact CE1-CB 4.24Å; Y308-K311 HydrophobicContact CE1-CD 4.05Å; Y308-K311 HydrophobicContact CE1-CG 3.79Å; Y308-K311 PolarHBondContact O-N 3.15Å; Y308-N312 PolarHBondContact O-N 3.26Å; Y308-F313 PolarHBondContact N-O 3.27Å; Y308-F313 PolarHBondContact O-N 3.47Å; Y308-F348 HydrophobicContact CD2-CE1 4.14Å; Y308-F348 HydrophobicContact CD2-CZ 4.11Å; Y308-F348 HydrophobicContact CG-CE1 4.42Å; Y308-F348 HydrophobicContact CG-CZ 4.43Å; Y308-L372 HydrophobicContact CD1-CD2 3.87Å; Y308-L372 HydrophobicContact CD2-CD2 4.31Å; Y308-L372 HydrophobicContact CE1-CD2 3.79Å; Y308-L372 HydrophobicContact CE2-CD2 4.28Å; Y308-L372 HydrophobicContact CG-CD2 4.11Å; Y308-L378 HydrophobicContact CD1-CD1 4.21Å
309P87.2Confident93.5Very high92 Ų9238.7 Ų38.760%0.59720%0.201SC*.G310 helixtrans-58.8-29.3-174.1-27.635.1000114N307 K311 N312N307-P309 WeakPolarHBondContact OD1-CD 3.11Å; P309-K311 PolarHBondContact O-N 2.75Å; P309-N312 PolarHBondContact O-N 3.07Å; P309-N312 PolarHBondContact O-OD1 3.4Å
310Q86Confident93.6Very high108 Ų10834.7 Ų34.751%0.50518%0.179SC..G310 helixtrans-60.9-20.8-178.5-65.1-173.7-26.100113.8Y308 K355Y308-Q310 HydrophobicContact CD1-CB 4.37Å; Y308-Q310 HydrophobicContact CE1-CB 3.88Å; Y308-Q310 HydrophobicContact CE2-CB 4.24Å; Y308-Q310 HydrophobicContact CE2-CG 4.35Å; Y308-Q310 VanDerWaalsContact CZ-OE1 3.23Å; Y308-Q310 PolarHBondContact O-N 3.12Å; Y308-Q310 VanDerWaalsContact O-N 3.11Å; Y308-Q310 PolarHBondContact OH-OE1 3.4Å; Q310-K355 VanDerWaalsContact NE2-CD 3.3Å
311K86.7Confident93.5Very high84 Ų8435.5 Ų35.537%0.36519%0.188SC..G310 helixtrans-12614.4177-66.3-169.7-180-162.50113.4Y308 P309 F313 R374 A376 L378Y308-K311 HydrophobicContact CD1-CB 3.99Å; Y308-K311 HydrophobicContact CD1-CD 4.44Å; Y308-K311 HydrophobicContact CD1-CG 4.07Å; Y308-K311 HydrophobicContact CE1-CB 4.24Å; Y308-K311 HydrophobicContact CE1-CD 4.05Å; Y308-K311 HydrophobicContact CE1-CG 3.79Å; Y308-K311 PolarHBondContact O-N 3.15Å; P309-K311 PolarHBondContact O-N 2.75Å; K311-F313 HydrophobicContact CB-CB 4.42Å; K311-F313 PolarHBondContact O-N 3.43Å; K311-R374 WeakPolarHBondContact CE-O 3.17Å; K311-R374 PolarHBondContact NZ-O 3.19Å; K311-A376 PolarHBondContact NZ-O 2.91Å; K311-L378 HydrophobicContact CD-CD1 4.33Å
312N87.1Confident93.5Very high135 Ų13536.1 Ų36.172%0.72219%0.192SC*.THydrogen-bonded Turntrans45.349.4-171.3-63.6-22.8000111.2Y308 P309Y308-N312 PolarHBondContact O-N 3.26Å; P309-N312 PolarHBondContact O-N 3.07Å; P309-N312 PolarHBondContact O-OD1 3.4Å
313F89.9Confident93.5Very high3 Ų342.6 Ų42.61%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-113.5109-177.9-176-91.9000109.3M306 Y308 K311 A315 V327 K329 L378M306-F313 HydrophobicContact CE-CD1 4.21Å; M306-F313 HydrophobicContact CE-CE1 3.95Å; M306-F313 HydrophobicContact CG-CD1 4.43Å; M306-F313 HydrophobicContact CG-CE1 4.26Å; M306-F313 HydrophobicContact SD-CE1 3.92Å; Y308-F313 PolarHBondContact N-O 3.27Å; Y308-F313 PolarHBondContact O-N 3.47Å; K311-F313 HydrophobicContact CB-CB 4.42Å; K311-F313 PolarHBondContact O-N 3.43Å; F313-A315 HydrophobicContact CD1-CB 4.23Å; F313-A315 HydrophobicContact CE1-CB 3.4Å; F313-A315 HydrophobicContact CZ-CB 3.65Å; F313-V327 HydrophobicContact CE1-CG1 4.39Å; F313-V327 HydrophobicContact CZ-CG1 4.32Å; F313-K329 HydrophobicContact CD2-CD 3.72Å; F313-K329 HydrophobicContact CE2-CB 4.26Å; F313-K329 HydrophobicContact CE2-CD 3.42Å; F313-K329 VanDerWaalsContact CE2-CD 3.42Å; F313-K329 HydrophobicContact CE2-CG 4.39Å; F313-K329 HydrophobicContact CZ-CB 4.37Å; F313-K329 HydrophobicContact CZ-CD 4.27Å; F313-L378 HydrophobicContact CB-CD1 3.83Å; F313-L378 HydrophobicContact CD1-CD1 3.73Å; F313-L378 HydrophobicContact CD2-CB 3.53Å; F313-L378 HydrophobicContact CD2-CD1 3.97Å; F313-L378 HydrophobicContact CD2-CG 4.39Å; F313-L378 HydrophobicContact CE1-CD1 4.25Å; F313-L378 HydrophobicContact CE2-CB 3.57Å; F313-L378 HydrophobicContact CE2-CD1 4.48Å; F313-L378 VanDerWaalsContact CE2-O 3.23Å; F313-L378 WeakPolarHBondContact CE2-O 3.45Å; F313-L378 HydrophobicContact CG-CB 4.03Å; F313-L378 HydrophobicContact CG-CD1 3.56Å; F313-L378 HydrophobicContact CG-CG 4.43Å; F313-L378 HydrophobicContact CZ-CB 4.09Å
314E91.9Very high93.4Very high53 Ų5342.4 Ų42.425%0.24822%0.215CC..EExtended strand (participates in β ladder)trans-113.9132.8169.3-52.3-174.7176.600109.2V268 E269 M306V268-E314 HydrophobicContact CG1-CB 3.43Å; V268-E314 VanDerWaalsContact CG1-CB 3.43Å; E269-E314 HydrophobicContact CG-CB 4.18Å; E269-E314 HydrophobicContact CG-CG 4.42Å; E269-E314 WeakPolarHBondContact CG-OE2 3.39Å; E269-E314 PolarHBondContact N-OE2 2.94Å; M306-E314 CarbonylContact O-C 3.45Å; M306-E314 WeakPolarHBondContact O-CA 3.22Å
315A93.9Very high93.5Very high1 Ų141.4 Ų41.41%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-150.8171-177.800000110.5M306 F313 V327 Y328 K329M306-A315 HydrophobicContact CB-CB 4.33Å; M306-A315 PolarHBondContact N-O 3.11Å; M306-A315 PolarHBondContact O-N 2.98Å; F313-A315 HydrophobicContact CD1-CB 4.23Å; F313-A315 HydrophobicContact CE1-CB 3.4Å; F313-A315 HydrophobicContact CZ-CB 3.65Å; A315-V327 HydrophobicContact CB-CG1 3.87Å; A315-Y328 CarbonylContact C-O 3.56Å; A315-Y328 VanDerWaalsContact CA-O 3.29Å; A315-Y328 WeakPolarHBondContact CA-O 3.5Å; A315-Y328 VanDerWaalsContact CB-O 3.25Å; A315-Y328 WeakPolarHBondContact CB-O 3.45Å; A315-K329 HydrophobicContact CB-CB 4.28Å
316V96Very high93.5Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-111.6127.6171.5175.70000109.8I266 V268 F273 M303 V318 Y328I266-V316 HydrophobicContact CB-CG2 4.26Å; I266-V316 HydrophobicContact CD1-CG1 3.7Å; I266-V316 HydrophobicContact CD1-CG2 4.45Å; I266-V316 HydrophobicContact CG2-CG2 4.13Å; V268-V316 HydrophobicContact CB-CG2 4.46Å; V268-V316 HydrophobicContact CG2-CG2 3.52Å; F273-V316 HydrophobicContact CB-CG1 4.43Å; F273-V316 HydrophobicContact CB-CG2 3.93Å; F273-V316 HydrophobicContact CD1-CB 4.48Å; F273-V316 HydrophobicContact CD1-CG2 4.32Å; F273-V316 HydrophobicContact CD2-CB 4.29Å; F273-V316 HydrophobicContact CD2-CG2 3.32Å; F273-V316 HydrophobicContact CE2-CG2 3.78Å; F273-V316 HydrophobicContact CG-CB 4.2Å; F273-V316 HydrophobicContact CG-CG2 3.61Å; F273-V316 HydrophobicContact CZ-CG2 4.46Å; M303-V316 HydrophobicContact CE-CG1 3.84Å; V316-V318 HydrophobicContact CG1-CG2 3.9Å; V316-Y328 PolarHBondContact N-O 3.09Å; V316-Y328 PolarHBondContact O-N 3.17Å
317L96.9Very high93.6Very high1 Ų138.1 Ų38.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-88.4129.7169.9-63.4166.3000108.5M303 S304 M306 I325 V327 L346 F348 L358M303-L317 CarbonylContact C-O 3.56Å; M303-L317 VanDerWaalsContact CA-O 3.22Å; M303-L317 WeakPolarHBondContact CA-O 3.23Å; S304-L317 PolarHBondContact N-O 2.69Å; S304-L317 PolarHBondContact O-N 2.87Å; M306-L317 HydrophobicContact CB-CD1 3.85Å; M306-L317 HydrophobicContact CB-CD2 4.35Å; M306-L317 HydrophobicContact CB-CG 3.79Å; M306-L317 HydrophobicContact SD-CD2 3.89Å; M306-L317 HydrophobicContact SD-CG 4.36Å; L317-I325 HydrophobicContact CB-CG2 4.23Å; L317-I325 HydrophobicContact CD2-CG2 4.06Å; L317-V327 HydrophobicContact CD2-CB 4.34Å; L317-V327 HydrophobicContact CD2-CG1 4.14Å; L317-V327 HydrophobicContact CD2-CG2 3.69Å; L317-L346 HydrophobicContact CB-CD1 3.41Å; L317-L346 VanDerWaalsContact CB-CD1 3.41Å; L317-L346 HydrophobicContact CD1-CD1 3.61Å; L317-L346 HydrophobicContact CG-CD1 4.14Å; L317-F348 HydrophobicContact CD1-CB 3.94Å; L317-L358 HydrophobicContact CD1-CD1 3.58Å
318V97.4Very high93.6Very high0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-125.4110.1176.8-172.50000108.1L281 L296 I300 M303 V316 L320 I325 H326 Y328L281-V318 HydrophobicContact CD1-CG2 4.3Å; L281-V318 HydrophobicContact CD2-CG2 4.17Å; L296-V318 HydrophobicContact CD1-CG1 4.17Å; I300-V318 HydrophobicContact CB-CG1 4.44Å; I300-V318 HydrophobicContact CD1-CG1 4.3Å; I300-V318 HydrophobicContact CG1-CG1 3.95Å; I300-V318 HydrophobicContact CG2-CG1 3.88Å; M303-V318 HydrophobicContact CE-CG2 4.32Å; M303-V318 HydrophobicContact CG-CG1 4.28Å; M303-V318 HydrophobicContact CG-CG2 4.37Å; V316-V318 HydrophobicContact CG1-CG2 3.9Å; V318-L320 HydrophobicContact CG1-CD2 3.68Å; V318-I325 CarbonylContact O-C 3.54Å; V318-I325 WeakPolarHBondContact O-CA 3.18Å; V318-H326 PolarHBondContact N-O 3.46Å; V318-H326 PolarHBondContact O-N 3.31Å; V318-Y328 HydrophobicContact CB-CE2 4.43Å; V318-Y328 HydrophobicContact CG2-CD2 3.89Å; V318-Y328 HydrophobicContact CG2-CE2 4.18Å
319S97.5Very high93.6Very high1 Ų137.4 Ų37.41%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-80.7132.2172.1175.90000109.9L301 A302 V343 L346L301-S319 PolarHBondContact N-O 3.02Å; A302-S319 PolarHBondContact O-N 2.89Å; S319-V343 WeakPolarHBondContact CB-O 3.5Å; S319-V343 WeakPolarHBondContact OG-CB 3.49Å; S319-V343 PolarHBondContact OG-O 3.17Å; S319-L346 VanDerWaalsContact CB-CD2 3.43Å
320L97.6Very high93.4Very high0 Ų035.1 Ų35.10%017%0.17CC..EExtended strand (participates in β ladder)trans-117.1150.7-176.8-56-176000111.4L296 P297 N299 I300 V318 N322 R323 S324L296-L320 HydrophobicContact CB-CD1 4.48Å; L296-L320 HydrophobicContact CB-CD2 4.29Å; L296-L320 HydrophobicContact CD1-CD2 3.86Å; P297-L320 HydrophobicContact CG-CD1 3.74Å; N299-L320 CarbonylContact O-C 3.5Å; N299-L320 VanDerWaalsContact O-CA 3.25Å; N299-L320 WeakPolarHBondContact O-CA 3.42Å; I300-L320 HydrophobicContact CG1-CD2 4.19Å; V318-L320 HydrophobicContact CG1-CD2 3.68Å; L320-N322 WeakPolarHBondContact CB-OD1 3.22Å; L320-N322 PolarHBondContact O-N 2.83Å; L320-N322 VanDerWaalsContact O-N 3.14Å; L320-R323 PolarHBondContact O-N 2.94Å; L320-S324 PolarHBondContact N-O 2.69Å
321A96.8Very high93.1Very high31 Ų3134.7 Ų34.726%0.25617%0.172SC..THydrogen-bonded Turntrans-70.9-2.9-179.700000114.8N299 L301 R323 N342N299-A321 HydrophobicContact CB-CB 4.19Å; N299-A321 PolarHBondContact O-N 2.85Å; L301-A321 HydrophobicContact CD1-CB 4.14Å; L301-A321 HydrophobicContact CD2-CB 4.15Å; L301-A321 HydrophobicContact CG-CB 4.11Å; A321-R323 VanDerWaalsContact C-N 3.28Å; A321-N342 PolarHBondContact O-ND2 2.93Å; A321-N342 PolarHBondContact O-OD1 3.17Å; A321-N342 VanDerWaalsContact O-OD1 3.04Å
322N95.6Very high92.9Very high67 Ų6731 Ų3136%0.35816%0.158SC..THydrogen-bonded Turntrans-91.920.9169.768.5-13.6000112.8S298 L320 S324S298-N322 PolarHBondContact OG-N 2.89Å; L320-N322 WeakPolarHBondContact CB-OD1 3.22Å; L320-N322 PolarHBondContact O-N 2.83Å; L320-N322 VanDerWaalsContact O-N 3.14Å; N322-S324 VanDerWaalsContact C-N 3.33Å; N322-S324 PolarHBondContact O-N 3.01Å; N322-S324 PolarHBondContact OD1-OG 3.39Å
323R96.3Very high93.1Very high137 Ų13725.3 Ų25.352%0.51713%0.127SC..THydrogen-bonded Turntrans63.235.7176.6-51.3171.6-118.8-177-3.7113.2L320 A321 L339 D340 N342L320-R323 PolarHBondContact O-N 2.94Å; A321-R323 VanDerWaalsContact C-N 3.28Å; R323-L339 WeakPolarHBondContact CB-O 3.36Å; R323-L339 WeakPolarHBondContact O-CA 3.26Å; R323-L339 PolarHBondContact O-N 3.22Å; R323-D340 WeakPolarHBondContact CD-O 3.33Å; R323-N342 WeakPolarHBondContact CG-OD1 3.31Å; R323-N342 PolarHBondContact N-OD1 3.17Å
324S96.5Very high93Very high4 Ų426 Ų263%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-126.8151.8171.677.40000111.6L320 N322 H326 I337L320-S324 PolarHBondContact N-O 2.69Å; N322-S324 VanDerWaalsContact C-N 3.33Å; N322-S324 PolarHBondContact O-N 3.01Å; N322-S324 PolarHBondContact OD1-OG 3.39Å; S324-H326 PolarHBondContact OG-CD2 2.93Å; S324-H326 PolarHBondContact OG-NE2 2.82Å; S324-H326 VanDerWaalsContact OG-NE2 3.14Å; S324-I337 CarbonylContact C-O 3.57Å; S324-I337 VanDerWaalsContact CA-O 3.3Å; S324-I337 WeakPolarHBondContact CA-O 3.41Å
325I96.8Very high92.9Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-113.4120.3167.4-57.2174000107.6L317 V318 I336 I337 L339 V343 L358 M360L317-I325 HydrophobicContact CB-CG2 4.23Å; L317-I325 HydrophobicContact CD2-CG2 4.06Å; V318-I325 CarbonylContact O-C 3.54Å; V318-I325 WeakPolarHBondContact O-CA 3.18Å; I325-I336 WeakPolarHBondContact O-CA 3.46Å; I325-I337 HydrophobicContact CB-CB 4.21Å; I325-I337 PolarHBondContact N-O 3.05Å; I325-I337 PolarHBondContact O-N 3.16Å; I325-L339 HydrophobicContact CD1-CD1 3.76Å; I325-L339 HydrophobicContact CG1-CD1 3.92Å; I325-V343 HydrophobicContact CD1-CB 4.45Å; I325-V343 HydrophobicContact CD1-CG1 4.43Å; I325-V343 HydrophobicContact CD1-CG2 4.26Å; I325-L358 HydrophobicContact CD1-CD2 4.36Å; I325-M360 HydrophobicContact CD1-CG 3.91Å; I325-M360 HydrophobicContact CD1-SD 3.43Å; I325-M360 WeakPolarHBondContact CD1-SD 3.41Å
326H95.4Very high92.9Very high12 Ų1230.5 Ų30.56%0.05616%0.157CC..EExtended strand (participates in β ladder)trans-94.1135.3176-72.9-156.1000109.6V318 S324 Y328 L333V318-H326 PolarHBondContact N-O 3.46Å; V318-H326 PolarHBondContact O-N 3.31Å; S324-H326 PolarHBondContact OG-CD2 2.93Å; S324-H326 PolarHBondContact OG-NE2 2.82Å; S324-H326 VanDerWaalsContact OG-NE2 3.14Å; H326-Y328 HydrophobicContact CB-CD2 4.07Å; H326-Y328 HydrophobicContact CB-CE2 3.38Å; H326-Y328 AromaticContact ND1-CZ 3.97Å; H326-Y328 PolarHBondContact ND1-OH 2.87Å; H326-Y328 VanDerWaalsContact ND1-OH 3.17Å; H326-L333 HydrophobicContact CB-CD1 3.73Å
327V95.1Very high92.8Very high7 Ų732 Ų324%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-108.1110.8178-1680000108.6M306 F313 A315 L317 S334 N335 I337M306-V327 HydrophobicContact SD-CG1 3.96Å; F313-V327 HydrophobicContact CE1-CG1 4.39Å; F313-V327 HydrophobicContact CZ-CG1 4.32Å; A315-V327 HydrophobicContact CB-CG1 3.87Å; L317-V327 HydrophobicContact CD2-CB 4.34Å; L317-V327 HydrophobicContact CD2-CG1 4.14Å; L317-V327 HydrophobicContact CD2-CG2 3.69Å; V327-S334 WeakPolarHBondContact CB-OG 3.19Å; V327-S334 VanDerWaalsContact CG1-OG 3.29Å; V327-S334 WeakPolarHBondContact CG1-OG 2.86Å; V327-S334 PolarHBondContact O-N 3.06Å; V327-S334 PolarHBondContact O-OG 2.76Å; V327-N335 HydrophobicContact CB-CB 4.13Å; V327-N335 HydrophobicContact CG2-CB 3.97Å; V327-N335 PolarHBondContact N-O 3.33Å; V327-N335 PolarHBondContact O-N 3.11Å; V327-I337 HydrophobicContact CG2-CD1 4.48Å
328Y93.8Very high92.7Very high3 Ų337.8 Ų37.81%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-103.6126.3-179.7-70.6-84.5000111.1L281 W292 K294 L296 A315 V316 V318 H326 G332 L333L281-Y328 HydrophobicContact CD2-CD1 3.98Å; L281-Y328 HydrophobicContact CD2-CD2 3.37Å; L281-Y328 HydrophobicContact CD2-CE1 4.17Å; L281-Y328 HydrophobicContact CD2-CE2 3.56Å; L281-Y328 HydrophobicContact CD2-CG 3.59Å; W292-Y328 HydrophobicContact CH2-CD1 4.25Å; K294-Y328 HydrophobicContact CD-CE1 4.08Å; L296-Y328 HydrophobicContact CD2-CE2 4Å; L296-Y328 WeakPolarHBondContact CD2-OH 3.11Å; A315-Y328 CarbonylContact C-O 3.56Å; A315-Y328 VanDerWaalsContact CA-O 3.29Å; A315-Y328 WeakPolarHBondContact CA-O 3.5Å; A315-Y328 VanDerWaalsContact CB-O 3.25Å; A315-Y328 WeakPolarHBondContact CB-O 3.45Å; V316-Y328 PolarHBondContact N-O 3.09Å; V316-Y328 PolarHBondContact O-N 3.17Å; V318-Y328 HydrophobicContact CB-CE2 4.43Å; V318-Y328 HydrophobicContact CG2-CD2 3.89Å; V318-Y328 HydrophobicContact CG2-CE2 4.18Å; H326-Y328 HydrophobicContact CB-CD2 4.07Å; H326-Y328 HydrophobicContact CB-CE2 3.38Å; H326-Y328 AromaticContact ND1-CZ 3.97Å; H326-Y328 PolarHBondContact ND1-OH 2.87Å; H326-Y328 VanDerWaalsContact ND1-OH 3.17Å; Y328-G332 WeakPolarHBondContact CA-O 3.43Å; Y328-L333 HydrophobicContact CD1-CB 4.3Å; Y328-L333 HydrophobicContact CD1-CD1 4.27Å; Y328-L333 HydrophobicContact CD2-CD1 4.49Å; Y328-L333 HydrophobicContact CE1-CB 3.95Å; Y328-L333 HydrophobicContact CE1-CD1 3.86Å; Y328-L333 HydrophobicContact CE1-CG 4.48Å; Y328-L333 HydrophobicContact CE2-CD1 4.13Å
329K90.9Very high92.6Very high46 Ų4639.2 Ų39.220%0.220%0.203CC..EExtended strand (participates in β ladder)trans-121.3126.3171.2177.1169.3179.1173.40108.9F313 A315 D331 G332F313-K329 HydrophobicContact CD2-CD 3.72Å; F313-K329 HydrophobicContact CE2-CB 4.26Å; F313-K329 HydrophobicContact CE2-CD 3.42Å; F313-K329 VanDerWaalsContact CE2-CD 3.42Å; F313-K329 HydrophobicContact CE2-CG 4.39Å; F313-K329 HydrophobicContact CZ-CB 4.37Å; F313-K329 HydrophobicContact CZ-CD 4.27Å; A315-K329 HydrophobicContact CB-CB 4.28Å; K329-D331 PolarHBondContact O-N 3.26Å; K329-G332 PolarHBondContact N-O 2.86Å; K329-G332 PolarHBondContact O-N 2.88Å
330D83.9Confident92.4Very high44 Ų4443.5 Ų43.524%0.23523%0.226CC..THydrogen-bonded Turntrans51.1-98.2-178.2-71.8-61.3000114.2K271 F283 W292K271-D330 IonicContact NZ-OD1 3.17Å; K271-D330 PolarHBondContact NZ-OD1 3.17Å; F283-D330 VanDerWaalsContact CE1-O 3.23Å; F283-D330 WeakPolarHBondContact CE1-O 3.42Å; F283-D330 WeakPolarHBondContact CZ-O 3.04Å; W292-D330 VanDerWaalsContact CZ2-O 3.26Å; W292-D330 WeakPolarHBondContact CZ2-O 3.41Å; W292-D330 PolarHBondContact NE1-O 3.46Å
331D79.8Confident92.3Very high100 Ų10045.1 Ų45.154%0.53524%0.235SC..THydrogen-bonded Turntrans-109.5-3-174.565.9-32.3000113.5K329 K381K329-D331 PolarHBondContact O-N 3.26Å; D331-K381 WeakPolarHBondContact OD1-CE 3.5Å; D331-K381 IonicContact OD1-NZ 2.99Å; D331-K381 PolarHBondContact OD1-NZ 2.88Å; D331-K381 IonicContact OD2-NZ 2.83Å; D331-K381 PolarHBondContact OD2-NZ 3.08Å
332G82.7Confident92.3Very high7 Ų745.6 Ų45.67%0.07223%0.233CC..EExtended strand (participates in β ladder)trans-129.6152.1-168.600000114.2Y328 K329 S334Y328-G332 WeakPolarHBondContact CA-O 3.43Å; K329-G332 PolarHBondContact N-O 2.86Å; K329-G332 PolarHBondContact O-N 2.88Å; G332-S334 PolarHBondContact O-N 2.97Å
333L89.9Confident92.3Very high15 Ų1542.4 Ų42.48%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-75.2116.3161.7-179.666000108H326 Y328 N335 I336 V382H326-L333 HydrophobicContact CB-CD1 3.73Å; Y328-L333 HydrophobicContact CD1-CB 4.3Å; Y328-L333 HydrophobicContact CD1-CD1 4.27Å; Y328-L333 HydrophobicContact CD2-CD1 4.49Å; Y328-L333 HydrophobicContact CE1-CB 3.95Å; Y328-L333 HydrophobicContact CE1-CD1 3.86Å; Y328-L333 HydrophobicContact CE1-CG 4.48Å; Y328-L333 HydrophobicContact CE2-CD1 4.13Å; L333-N335 WeakPolarHBondContact CD1-O 3.43Å; L333-I336 HydrophobicContact CD1-CG1 4.32Å; L333-I336 HydrophobicContact CD2-CD1 3.84Å; L333-I336 HydrophobicContact CD2-CG1 3.81Å; L333-I336 HydrophobicContact CG-CG1 4.34Å; L333-V382 HydrophobicContact CD2-CB 4.22Å; L333-V382 HydrophobicContact CD2-CG1 4.4Å; L333-V382 HydrophobicContact CD2-CG2 4.3Å; L333-V382 HydrophobicContact CG-CB 4.24Å; L333-V382 HydrophobicContact CG-CG2 4.08Å; L333-V382 PolarHBondContact O-N 3.06Å
334S88.9Confident92.3Very high17 Ų1738.9 Ų38.912%0.11921%0.206CC..EExtended strand (participates in β ladder)trans-89.3-36.1179.9640000112.5V327 G332V327-S334 WeakPolarHBondContact CB-OG 3.19Å; V327-S334 VanDerWaalsContact CG1-OG 3.29Å; V327-S334 WeakPolarHBondContact CG1-OG 2.86Å; V327-S334 PolarHBondContact O-N 3.06Å; V327-S334 PolarHBondContact O-OG 2.76Å; G332-S334 PolarHBondContact O-N 2.97Å
335N90.3Very high92.3Very high85 Ų8538.8 Ų38.846%0.45521%0.205SC..EExtended strand (participates in β ladder)trans-158.6158.7-178.4-153.1-11.8000112.3V327 L333V327-N335 HydrophobicContact CB-CB 4.13Å; V327-N335 HydrophobicContact CG2-CB 3.97Å; V327-N335 PolarHBondContact N-O 3.33Å; V327-N335 PolarHBondContact O-N 3.11Å; L333-N335 WeakPolarHBondContact CD1-O 3.43Å
336I93.1Very high92.3Very high63 Ų6338.9 Ų38.932%0.32321%0.206SC..EExtended strand (participates in β ladder)trans-127.1125.1172-57.7176000108.2I325 L333 N338I325-I336 WeakPolarHBondContact O-CA 3.46Å; L333-I336 HydrophobicContact CD1-CG1 4.32Å; L333-I336 HydrophobicContact CD2-CD1 3.84Å; L333-I336 HydrophobicContact CD2-CG1 3.81Å; L333-I336 HydrophobicContact CG-CG1 4.34Å; I336-N338 WeakPolarHBondContact CG2-OD1 3.22Å
337I94.4Very high92.3Very high32 Ų3239 Ų3916%0.16421%0.208CC..EExtended strand (participates in β ladder)trans-106.2106.3175.3-53.3174.5000108S324 I325 V327 L339 L358 K370S324-I337 CarbonylContact C-O 3.57Å; S324-I337 VanDerWaalsContact CA-O 3.3Å; S324-I337 WeakPolarHBondContact CA-O 3.41Å; I325-I337 HydrophobicContact CB-CB 4.21Å; I325-I337 PolarHBondContact N-O 3.05Å; I325-I337 PolarHBondContact O-N 3.16Å; V327-I337 HydrophobicContact CG2-CD1 4.48Å; I337-L339 HydrophobicContact CG2-CD2 4.19Å; I337-L339 HydrophobicContact CG2-CG 4.48Å; I337-L358 HydrophobicContact CD1-CD2 3.72Å; I337-K370 HydrophobicContact CG2-CD 4.1Å
338N94.9Very high92.3Very high122 Ų12239.9 Ų39.965%0.65221%0.211SC*.EExtended strand (participates in β ladder)trans-79.5142.4173.9-62.8-35.1000110.9I336I336-N338 WeakPolarHBondContact CG2-OD1 3.22Å
339L94.2Very high92.3Very high31 Ų3140.6 Ų40.616%0.16222%0.219CC..  trans-134.3167.5-178-58.6170.4000109.2R323 I325 I337 V343 M360R323-L339 WeakPolarHBondContact CB-O 3.36Å; R323-L339 WeakPolarHBondContact O-CA 3.26Å; R323-L339 PolarHBondContact O-N 3.22Å; I325-L339 HydrophobicContact CD1-CD1 3.76Å; I325-L339 HydrophobicContact CG1-CD1 3.92Å; I337-L339 HydrophobicContact CG2-CD2 4.19Å; I337-L339 HydrophobicContact CG2-CG 4.48Å; L339-V343 HydrophobicContact CD1-CB 4.47Å; L339-V343 HydrophobicContact CD1-CG2 3.3Å; L339-M360 HydrophobicContact CD1-SD 3.85Å; L339-M360 HydrophobicContact CD2-CE 4.3Å; L339-M360 HydrophobicContact CD2-SD 4.1Å
340D94.4Very high92.4Very high90 Ų9040 Ų4048%0.48122%0.221SC..SBendtrans-92.9-19.7177.354.1-10.9000113R323 R368R323-D340 WeakPolarHBondContact CD-O 3.33Å; D340-R368 VanDerWaalsContact CG-NH2 3.27Å; D340-R368 IonicContact OD1-CZ 2.86Å; D340-R368 IonicContact OD1-NH1 3.26Å; D340-R368 PolarHBondContact OD1-NH1 2.55Å; D340-R368 IonicContact OD1-NH2 2.74Å; D340-R368 PolarHBondContact OD1-NH2 2.87Å; D340-R368 VanDerWaalsContact OD1-NH2 3.11Å; D340-R368 IonicContact OD2-CZ 3.69Å; D340-R368 VanDerWaalsContact OD2-CZ 3.26Å; D340-R368 IonicContact OD2-NH1 3.62Å; D340-R368 PolarHBondContact OD2-NH1 2.89Å; D340-R368 IonicContact OD2-NH2 2.66Å; D340-R368 PolarHBondContact OD2-NH2 3.35Å
341D95.3Very high92.9Very high34 Ų3438.6 Ų38.618%0.18221%0.213CC..SBendtrans-135.8158.1-179.4-166.614.3000111.6T362 S364D341-T362 HydrophobicContact CB-CG2 4.33Å; D341-T362 WeakPolarHBondContact OD2-CB 3.42Å; D341-T362 PolarHBondContact OD2-OG1 3.17Å; D341-S364 WeakPolarHBondContact OD2-CB 3.42Å; D341-S364 PolarHBondContact OD2-N 3.37Å; D341-S364 PolarHBondContact OD2-OG 3.09Å
342N96.1Very high93.5Very high41 Ų4134.5 Ų34.522%0.21919%0.194CC..  trans-72.7133.6179.5-78.6-18.2000111L301 A321 R323 T362 A363L301-N342 HydrophobicContact CD1-CB 3.7Å; A321-N342 PolarHBondContact O-ND2 2.93Å; A321-N342 PolarHBondContact O-OD1 3.17Å; A321-N342 VanDerWaalsContact O-OD1 3.04Å; R323-N342 WeakPolarHBondContact CG-OD1 3.31Å; R323-N342 PolarHBondContact N-OD1 3.17Å; N342-T362 CarbonylContact O-C 3.59Å; N342-T362 WeakPolarHBondContact O-CA 3.4Å; N342-A363 HydrophobicContact CB-CB 4.24Å; N342-A363 PolarHBondContact O-N 3.28Å
343V96.6Very high93.9Very high1 Ų144 Ų441%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-96.8114.3179175.10000109.9L301 S319 I325 L339 A345 L346 M360 A361 T362L301-V343 WeakPolarHBondContact CB-O 3.46Å; S319-V343 WeakPolarHBondContact CB-O 3.5Å; S319-V343 WeakPolarHBondContact OG-CB 3.49Å; S319-V343 PolarHBondContact OG-O 3.17Å; I325-V343 HydrophobicContact CD1-CB 4.45Å; I325-V343 HydrophobicContact CD1-CG1 4.43Å; I325-V343 HydrophobicContact CD1-CG2 4.26Å; L339-V343 HydrophobicContact CD1-CB 4.47Å; L339-V343 HydrophobicContact CD1-CG2 3.3Å; V343-A345 VanDerWaalsContact CG1-O 3.23Å; V343-A345 WeakPolarHBondContact CG1-O 3.24Å; V343-L346 HydrophobicContact CG1-CB 3.98Å; V343-L346 HydrophobicContact CG1-CD2 4.08Å; V343-M360 HydrophobicContact CG1-CB 3.81Å; V343-M360 HydrophobicContact CG1-CG 4.17Å; V343-M360 HydrophobicContact CG2-CB 3.93Å; V343-M360 HydrophobicContact CG2-CG 4.33Å; V343-M360 HydrophobicContact CG2-SD 4.36Å; V343-A361 CarbonylContact C-O 3.57Å; V343-A361 WeakPolarHBondContact CA-O 3.27Å; V343-T362 HydrophobicContact CG2-CG2 4.33Å
344M95.7Very high94Very high63 Ų6347.3 Ų47.331%0.3125%0.246SC..EExtended strand (participates in β ladder)trans-90.2-24.4-175.7-60.2-57.7-64.200112.9L301 A361 A363L301-M344 HydrophobicContact CD1-SD 4.15Å; L301-M344 HydrophobicContact CD2-SD 4.46Å; M344-A361 PolarHBondContact N-O 3.45Å; M344-A363 HydrophobicContact CG-CB 3.86Å; M344-A363 HydrophobicContact SD-CB 4.16Å
345A96.3Very high94.1Very high1 Ų152.5 Ų52.51%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-145.9143.2174.600000109.6T2 N4 V7 V343 A361T2-A345 HydrophobicContact CG2-CB 4.08Å; N4-A345 HydrophobicContact CB-CB 4.42Å; V7-A345 HydrophobicContact CB-CB 4.44Å; V7-A345 HydrophobicContact CG2-CB 3.63Å; V343-A345 VanDerWaalsContact CG1-O 3.23Å; V343-A345 WeakPolarHBondContact CG1-O 3.24Å; A345-A361 HydrophobicContact CB-CB 4.15Å; A345-A361 PolarHBondContact N-O 3.34Å; A345-A361 PolarHBondContact O-N 2.86Å
346L96.3Very high94.2Very high2 Ų248.6 Ų48.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-148.9145.4177.363.6108.9000111N4 A302 S304 L317 S319 V343 L358 V359N4-L346 PolarHBondContact OD1-N 3.12Å; N4-L346 PolarHBondContact OD1-O 2.87Å; N4-L346 VanDerWaalsContact OD1-O 3.06Å; A302-L346 HydrophobicContact CB-CD2 3.83Å; A302-L346 HydrophobicContact CB-CG 4.41Å; S304-L346 VanDerWaalsContact CB-O 3.3Å; S304-L346 WeakPolarHBondContact CB-O 3.46Å; L317-L346 HydrophobicContact CB-CD1 3.41Å; L317-L346 VanDerWaalsContact CB-CD1 3.41Å; L317-L346 HydrophobicContact CD1-CD1 3.61Å; L317-L346 HydrophobicContact CG-CD1 4.14Å; S319-L346 VanDerWaalsContact CB-CD2 3.43Å; V343-L346 HydrophobicContact CG1-CB 3.98Å; V343-L346 HydrophobicContact CG1-CD2 4.08Å; L346-L358 HydrophobicContact CD1-CD1 4.37Å; L346-V359 WeakPolarHBondContact CA-O 3.28Å; L346-V359 WeakPolarHBondContact CB-O 3.33Å
347C95.4Very high94.3Very high14 Ų1445.7 Ų45.710%0.09523%0.231CC..EExtended strand (participates in β ladder)trans-143.2152.4172.5650000109.6V359C347-V359 PolarHBondContact N-O 2.85Å; C347-V359 PolarHBondContact O-N 3.47Å
348F95.7Very high94.4Very high26 Ų2644.6 Ų44.611%0.11423%0.225CC..EExtended strand (participates in β ladder)trans-126129.5-179.7-176.6-90.5000109.7M306 N307 Y308 L317 V357 L358 L372M306-F348 HydrophobicContact CB-CB 4.4Å; M306-F348 HydrophobicContact CB-CD1 4.28Å; M306-F348 HydrophobicContact CB-CG 4.26Å; M306-F348 HydrophobicContact CE-CD2 4.38Å; M306-F348 HydrophobicContact CE-CE1 4.37Å; M306-F348 HydrophobicContact CE-CE2 3.76Å; M306-F348 HydrophobicContact CE-CZ 3.73Å; M306-F348 HydrophobicContact CG-CD1 3.74Å; M306-F348 HydrophobicContact CG-CD2 4.13Å; M306-F348 HydrophobicContact CG-CE1 3.88Å; M306-F348 HydrophobicContact CG-CE2 4.26Å; M306-F348 HydrophobicContact CG-CG 3.85Å; M306-F348 HydrophobicContact CG-CZ 4.13Å; M306-F348 HydrophobicContact SD-CD2 4.47Å; M306-F348 HydrophobicContact SD-CE2 4.41Å; N307-F348 WeakPolarHBondContact O-CE1 3.5Å; Y308-F348 HydrophobicContact CD2-CE1 4.14Å; Y308-F348 HydrophobicContact CD2-CZ 4.11Å; Y308-F348 HydrophobicContact CG-CE1 4.42Å; Y308-F348 HydrophobicContact CG-CZ 4.43Å; L317-F348 HydrophobicContact CD1-CB 3.94Å; F348-V357 WeakPolarHBondContact CA-O 3.27Å; F348-L358 HydrophobicContact CD2-CB 4Å; F348-L358 HydrophobicContact CD2-CD1 4.5Å; F348-L372 HydrophobicContact CZ-CD2 4.3Å
349G93.9Very high94.4Very high18 Ų1839 Ų3919%0.18620%0.195CC..EExtended strand (participates in β ladder)trans177.3-146.1-178.700000113.8G356 V357G349-G356 PolarHBondContact O-N 2.85Å; G349-V357 PolarHBondContact N-O 3.38Å; G349-V357 VanDerWaalsContact N-O 3.07Å; G349-V357 PolarHBondContact O-N 2.75Å
350C93Very high94.5Very high35 Ų3537.5 Ų37.524%0.23619%0.188CC..EExtended strand (participates in β ladder)trans-92.8132.8172.9-590000109.2W18 D354W18-C350 HydrophobicContact CB-CB 4.19Å; W18-C350 WeakPolarHBondContact CB-O 3.43Å; W18-C350 VanDerWaalsContact CD1-CB 3.48Å; W18-C350 HydrophobicContact CD2-CB 3.89Å; W18-C350 HydrophobicContact CG-CB 3.58Å; C350-D354 WeakPolarHBondContact CA-O 3.37Å
351F94.2Very high94.6Very high13 Ų1333.8 Ų33.86%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-137.9129.2173.1179.6-105.3000109L9 L20 T38 R353 D354 V357 L369L9-F351 HydrophobicContact CD2-CB 4.2Å; L9-F351 HydrophobicContact CD2-CD2 3.86Å; L9-F351 HydrophobicContact CD2-CG 4.48Å; L20-F351 HydrophobicContact CB-CD2 3.97Å; L20-F351 HydrophobicContact CB-CE2 3.51Å; L20-F351 HydrophobicContact CB-CZ 4.48Å; T38-F351 VanDerWaalsContact C-CZ 3.46Å; F351-R353 PolarHBondContact O-N 2.85Å; F351-D354 PolarHBondContact N-O 2.66Å; F351-D354 VanDerWaalsContact N-O 3.11Å; F351-D354 PolarHBondContact O-N 2.84Å; F351-D354 VanDerWaalsContact O-N 3.17Å; F351-V357 HydrophobicContact CB-CB 3.91Å; F351-V357 HydrophobicContact CB-CG1 4Å; F351-V357 HydrophobicContact CB-CG2 4.03Å; F351-V357 HydrophobicContact CD1-CG1 4.48Å; F351-L369 HydrophobicContact CD1-CD1 3.87Å; F351-L369 HydrophobicContact CD1-CD2 4.31Å; F351-L369 HydrophobicContact CE1-CD1 3.39Å; F351-L369 HydrophobicContact CE1-CD2 4.29Å; F351-L369 HydrophobicContact CZ-CD1 4.2Å
352G92.2Very high94.6Very high14 Ų1432.6 Ų32.614%0.14416%0.163CC..BIsolated β-bridgetrans56.7-124.1-158.800000109.9G16 D17 W18G16-G352 VanDerWaalsContact O-O 3.04Å; D17-G352 WeakPolarHBondContact OD1-CA 3.4Å; W18-G352 PolarHBondContact N-O 3.06Å; W18-G352 WeakPolarHBondContact O-CA 2.93Å; W18-G352 PolarHBondContact O-N 2.96Å
353R91.8Very high94.4Very high206 Ų20633.5 Ų33.578%0.77718%0.176SC*.THydrogen-bonded Turntrans-103.2-4174.2-63.5-175.8179.6175.50.2113.7F351F351-R353 PolarHBondContact O-N 2.85Å
354D91.8Very high94.2Very high86 Ų8636.9 Ų36.946%0.4620%0.2SC..EExtended strand (participates in β ladder)trans-82.6128.6-178.1-74.1-54.8000110.5C350 F351 V357 L371C350-D354 WeakPolarHBondContact CA-O 3.37Å; F351-D354 PolarHBondContact N-O 2.66Å; F351-D354 VanDerWaalsContact N-O 3.11Å; F351-D354 PolarHBondContact O-N 2.84Å; F351-D354 VanDerWaalsContact O-N 3.17Å; D354-V357 HydrophobicContact CB-CG2 3.82Å; D354-L371 HydrophobicContact CB-CD2 4.15Å
355K90.4Very high93.9Very high126 Ų12637 Ų3755%0.54822%0.218SC..EExtended strand (participates in β ladder)trans-89.9134.8174.3-63.1-177.1172.8-1770109Q310Q310-K355 VanDerWaalsContact NE2-CD 3.3Å
356G92.5Very high93.7Very high2 Ų241 Ų412%0.02124%0.239CC..EExtended strand (participates in β ladder)trans8548.2176.800000113.2G349 L372G349-G356 PolarHBondContact O-N 2.85Å; G356-L372 VanDerWaalsContact O-CB 3.24Å; G356-L372 WeakPolarHBondContact O-CB 3.45Å; G356-L372 PolarHBondContact O-N 2.92Å
357V95.4Very high93.5Very high3 Ų344.1 Ų44.12%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-99.8124.1175.1-174.20000108.9F348 G349 F351 D354 V359 L369 L371F348-V357 WeakPolarHBondContact CA-O 3.27Å; G349-V357 PolarHBondContact N-O 3.38Å; G349-V357 VanDerWaalsContact N-O 3.07Å; G349-V357 PolarHBondContact O-N 2.75Å; F351-V357 HydrophobicContact CB-CB 3.91Å; F351-V357 HydrophobicContact CB-CG1 4Å; F351-V357 HydrophobicContact CB-CG2 4.03Å; F351-V357 HydrophobicContact CD1-CG1 4.48Å; D354-V357 HydrophobicContact CB-CG2 3.82Å; V357-V359 HydrophobicContact CG1-CG2 4.37Å; V357-L369 HydrophobicContact CG1-CB 4.32Å; V357-L369 HydrophobicContact CG1-CD2 4.22Å; V357-L371 HydrophobicContact CG2-CG 4.29Å
358L96.3Very high93.4Very high9 Ų947.6 Ų47.65%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-88.7114.1167.9176.760.4000108.7L317 I325 I337 L346 F348 M360 L369 K370L317-L358 HydrophobicContact CD1-CD1 3.58Å; I325-L358 HydrophobicContact CD1-CD2 4.36Å; I337-L358 HydrophobicContact CD1-CD2 3.72Å; L346-L358 HydrophobicContact CD1-CD1 4.37Å; F348-L358 HydrophobicContact CD2-CB 4Å; F348-L358 HydrophobicContact CD2-CD1 4.5Å; L358-M360 HydrophobicContact CD1-CG 4.39Å; L358-M360 HydrophobicContact CD2-CG 4.25Å; L358-M360 HydrophobicContact CD2-SD 3.93Å; L358-M360 HydrophobicContact CG-CG 3.93Å; L358-M360 HydrophobicContact CG-SD 4.22Å; L358-L369 CarbonylContact O-C 3.53Å; L358-L369 WeakPolarHBondContact O-CA 3.19Å; L358-K370 HydrophobicContact CB-CB 4.29Å; L358-K370 PolarHBondContact N-O 3.13Å; L358-K370 PolarHBondContact O-N 3.18Å
359V95.8Very high93.3Very high3 Ų349.5 Ų49.52%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-95.7134172.4-173.30000108.8L9 L20 L346 C347 V357 V367 L369L9-V359 HydrophobicContact CD2-CG2 4.23Å; L20-V359 HydrophobicContact CD1-CB 4.43Å; L20-V359 HydrophobicContact CD1-CG1 3.8Å; L20-V359 HydrophobicContact CD1-CG2 4.39Å; L20-V359 HydrophobicContact CD2-CG1 3.59Å; L20-V359 HydrophobicContact CG-CG1 4.32Å; L346-V359 WeakPolarHBondContact CA-O 3.28Å; L346-V359 WeakPolarHBondContact CB-O 3.33Å; C347-V359 PolarHBondContact N-O 2.85Å; C347-V359 PolarHBondContact O-N 3.47Å; V357-V359 HydrophobicContact CG1-CG2 4.37Å; V359-V367 HydrophobicContact CG1-CG1 3.9Å; V359-L369 HydrophobicContact CB-CD2 4.07Å; V359-L369 HydrophobicContact CG1-CD2 3.88Å; V359-L369 HydrophobicContact CG2-CD2 3.65Å
360M96.2Very high93.3Very high1 Ų152.8 Ų52.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-132.8123.4-179.6-60.3169.3-68.300109.2I325 L339 V343 L358 V367 R368 K370I325-M360 HydrophobicContact CD1-CG 3.91Å; I325-M360 HydrophobicContact CD1-SD 3.43Å; I325-M360 WeakPolarHBondContact CD1-SD 3.41Å; L339-M360 HydrophobicContact CD1-SD 3.85Å; L339-M360 HydrophobicContact CD2-CE 4.3Å; L339-M360 HydrophobicContact CD2-SD 4.1Å; V343-M360 HydrophobicContact CG1-CB 3.81Å; V343-M360 HydrophobicContact CG1-CG 4.17Å; V343-M360 HydrophobicContact CG2-CB 3.93Å; V343-M360 HydrophobicContact CG2-CG 4.33Å; V343-M360 HydrophobicContact CG2-SD 4.36Å; L358-M360 HydrophobicContact CD1-CG 4.39Å; L358-M360 HydrophobicContact CD2-CG 4.25Å; L358-M360 HydrophobicContact CD2-SD 3.93Å; L358-M360 HydrophobicContact CG-CG 3.93Å; L358-M360 HydrophobicContact CG-SD 4.22Å; M360-V367 CarbonylContact O-C 3.53Å; M360-V367 WeakPolarHBondContact O-CA 3.47Å; M360-R368 HydrophobicContact CE-CB 3.92Å; M360-R368 PolarHBondContact N-O 2.83Å; M360-R368 PolarHBondContact O-N 3.33Å; M360-K370 HydrophobicContact CE-CB 4.4Å; M360-K370 HydrophobicContact CE-CD 3.97Å; M360-K370 HydrophobicContact CE-CG 3.78Å
361A95.3Very high93.4Very high11 Ų1156.2 Ų56.29%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-99.1122.7168.200000109V343 M344 A345 N366V343-A361 CarbonylContact C-O 3.57Å; V343-A361 WeakPolarHBondContact CA-O 3.27Å; M344-A361 PolarHBondContact N-O 3.45Å; A345-A361 HydrophobicContact CB-CB 4.15Å; A345-A361 PolarHBondContact N-O 3.34Å; A345-A361 PolarHBondContact O-N 2.86Å; A361-N366 WeakPolarHBondContact CA-O 3.3Å
362T94.9Very high93.3Very high10 Ų1057.4 Ų57.46%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-91.3162.3-175.969.10000112.2D341 N342 V343 S364 G365 N366D341-T362 HydrophobicContact CB-CG2 4.33Å; D341-T362 WeakPolarHBondContact OD2-CB 3.42Å; D341-T362 PolarHBondContact OD2-OG1 3.17Å; N342-T362 CarbonylContact O-C 3.59Å; N342-T362 WeakPolarHBondContact O-CA 3.4Å; V343-T362 HydrophobicContact CG2-CG2 4.33Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.04Å; T362-S364 PolarHBondContact OG1-OG 3.14Å; T362-G365 PolarHBondContact O-N 3.22Å; T362-N366 PolarHBondContact N-O 3.5Å; T362-N366 WeakPolarHBondContact OG1-CB 3.43Å; T362-N366 PolarHBondContact OG1-N 2.97Å; T362-N366 PolarHBondContact OG1-O 3.16Å
363A93.3Very high93.2Very high59 Ų5966 Ų6649%0.48834%0.34SS..THydrogen-bonded Turntrans-62.1-32.117700000112.6N342 M344 G365N342-A363 HydrophobicContact CB-CB 4.24Å; N342-A363 PolarHBondContact O-N 3.28Å; M344-A363 HydrophobicContact CG-CB 3.86Å; M344-A363 HydrophobicContact SD-CB 4.16Å; A363-G365 PolarHBondContact O-N 3.35Å
364S92Very high92.9Very high73 Ų7366.3 Ų66.351%0.5134%0.341SS..THydrogen-bonded Turntrans-67.8-3.9171.454.20000115D341 T362 N366D341-S364 WeakPolarHBondContact OD2-CB 3.42Å; D341-S364 PolarHBondContact OD2-N 3.37Å; D341-S364 PolarHBondContact OD2-OG 3.09Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.04Å; T362-S364 PolarHBondContact OG1-OG 3.14Å; S364-N366 PolarHBondContact OG-ND2 2.91Å
365G89.6Confident92.6Very high66 Ų6668.3 Ų68.368%0.6835%0.351SS*.SBendtrans87.37.8-179.300000114.7T362 A363T362-G365 PolarHBondContact O-N 3.22Å; A363-G365 PolarHBondContact O-N 3.35Å
366N92Very high92.3Very high83 Ų8363.5 Ų63.544%0.44434%0.335SS..  trans-84.7146.2177.2-65.5-63.3000111.4A361 T362 S364A361-N366 WeakPolarHBondContact CA-O 3.3Å; T362-N366 PolarHBondContact N-O 3.5Å; T362-N366 WeakPolarHBondContact OG1-CB 3.43Å; T362-N366 PolarHBondContact OG1-N 2.97Å; T362-N366 PolarHBondContact OG1-O 3.16Å; S364-N366 PolarHBondContact OG-ND2 2.91Å
367V92.1Very high91.8Very high69 Ų6971.1 Ų71.142%0.41837%0.368SS..EExtended strand (participates in β ladder)trans-105.7126.3168.9179.60000108.9L20 V359 M360L20-V367 HydrophobicContact CD2-CG1 3.82Å; V359-V367 HydrophobicContact CG1-CG1 3.9Å; M360-V367 CarbonylContact O-C 3.53Å; M360-V367 WeakPolarHBondContact O-CA 3.47Å
368R93.3Very high91.1Very high86 Ų8672.1 Ų72.133%0.32537%0.373SS..EExtended strand (participates in β ladder)trans-120.7141.3179.8-64.2-173.3-179.4-160.63.5110.6D340 M360D340-R368 VanDerWaalsContact CG-NH2 3.27Å; D340-R368 IonicContact OD1-CZ 2.86Å; D340-R368 IonicContact OD1-NH1 3.26Å; D340-R368 PolarHBondContact OD1-NH1 2.55Å; D340-R368 IonicContact OD1-NH2 2.74Å; D340-R368 PolarHBondContact OD1-NH2 2.87Å; D340-R368 VanDerWaalsContact OD1-NH2 3.11Å; D340-R368 IonicContact OD2-CZ 3.69Å; D340-R368 VanDerWaalsContact OD2-CZ 3.26Å; D340-R368 IonicContact OD2-NH1 3.62Å; D340-R368 PolarHBondContact OD2-NH1 2.89Å; D340-R368 IonicContact OD2-NH2 2.66Å; D340-R368 PolarHBondContact OD2-NH2 3.35Å; M360-R368 HydrophobicContact CE-CB 3.92Å; M360-R368 PolarHBondContact N-O 2.83Å; M360-R368 PolarHBondContact O-N 3.33Å
369L93.6Very high89.9Confident66 Ų6677.1 Ų77.135%0.34640%0.404SS..EExtended strand (participates in β ladder)trans-117.7133.9-179-55.8173.6000109.4F351 V357 L358 V359F351-L369 HydrophobicContact CD1-CD1 3.87Å; F351-L369 HydrophobicContact CD1-CD2 4.31Å; F351-L369 HydrophobicContact CE1-CD1 3.39Å; F351-L369 HydrophobicContact CE1-CD2 4.29Å; F351-L369 HydrophobicContact CZ-CD1 4.2Å; V357-L369 HydrophobicContact CG1-CB 4.32Å; V357-L369 HydrophobicContact CG1-CD2 4.22Å; L358-L369 CarbonylContact O-C 3.53Å; L358-L369 WeakPolarHBondContact O-CA 3.19Å; V359-L369 HydrophobicContact CB-CD2 4.07Å; V359-L369 HydrophobicContact CG1-CD2 3.88Å; V359-L369 HydrophobicContact CG2-CD2 3.65Å
370K94.1Very high88.7Confident88 Ų8882.7 Ų82.738%0.38343%0.43SS..EExtended strand (participates in β ladder)trans-123.2121168.8-76.7-170.6176.4-170.90109.8I337 L358 M360I337-K370 HydrophobicContact CG2-CD 4.1Å; L358-K370 HydrophobicContact CB-CB 4.29Å; L358-K370 PolarHBondContact N-O 3.13Å; L358-K370 PolarHBondContact O-N 3.18Å; M360-K370 HydrophobicContact CE-CB 4.4Å; M360-K370 HydrophobicContact CE-CD 3.97Å; M360-K370 HydrophobicContact CE-CG 3.78Å
371L93.7Very high87.6Confident106 Ų10688.3 Ų88.356%0.55545%0.454SS*.EExtended strand (participates in β ladder)trans-88.4128.3176.9-69.781.1000109.8D354 V357 R373D354-L371 HydrophobicContact CB-CD2 4.15Å; V357-L371 HydrophobicContact CG2-CG 4.29Å; L371-R373 PolarHBondContact O-N 2.82Å
372L92.6Very high86.4Confident39 Ų3990.2 Ų90.220%0.20447%0.465CS..PPolyproline II helixtrans-75.5119.1173.3-176.965.4000110.2M306 Y308 F348 G356 A376 L378M306-L372 HydrophobicContact CE-CD2 4.26Å; Y308-L372 HydrophobicContact CD1-CD2 3.87Å; Y308-L372 HydrophobicContact CD2-CD2 4.31Å; Y308-L372 HydrophobicContact CE1-CD2 3.79Å; Y308-L372 HydrophobicContact CE2-CD2 4.28Å; Y308-L372 HydrophobicContact CG-CD2 4.11Å; F348-L372 HydrophobicContact CZ-CD2 4.3Å; G356-L372 VanDerWaalsContact O-CB 3.24Å; G356-L372 WeakPolarHBondContact O-CB 3.45Å; G356-L372 PolarHBondContact O-N 2.92Å; L372-A376 HydrophobicContact CD1-CB 3.67Å; L372-A376 HydrophobicContact CG-CB 4.33Å; L372-L378 HydrophobicContact CD1-CD2 4Å; L372-L378 HydrophobicContact CD2-CD1 4.05Å; L372-L378 HydrophobicContact CD2-CD2 4.43Å
373R91Very high84.9Confident195 Ų19593.9 Ų93.974%0.73649%0.488SS*.PPolyproline II helixtrans-65.5137.8176.8-64.5-176.4174.5175-1.9110.6L371 N375 A376L371-R373 PolarHBondContact O-N 2.82Å; R373-N375 VanDerWaalsContact CB-OD1 3.3Å; R373-N375 WeakPolarHBondContact CB-OD1 3.29Å; R373-N375 PolarHBondContact O-N 3.44Å; R373-N375 VanDerWaalsContact O-N 3.1Å; R373-A376 WeakPolarHBondContact O-CB 3.46Å; R373-A376 PolarHBondContact O-N 3.48Å
374R84.8Confident83.4Confident212 Ų21295.5 Ų95.580%0.849%0.489SS*.THydrogen-bonded Turntrans-55.8-31.4-179.9-63.3-177.7-175.4177.42.1113.4K311K311-R374 WeakPolarHBondContact CE-O 3.17Å; K311-R374 PolarHBondContact NZ-O 3.19Å
375N86.3Confident81.8Confident127 Ų12798.7 Ų98.768%0.67950%0.496SS*.THydrogen-bonded Turntrans-87.43.7178.764.8-14.4000114.5R373 K377R373-N375 VanDerWaalsContact CB-OD1 3.3Å; R373-N375 WeakPolarHBondContact CB-OD1 3.29Å; R373-N375 PolarHBondContact O-N 3.44Å; R373-N375 VanDerWaalsContact O-N 3.1Å; N375-K377 PolarHBondContact O-N 2.92Å
376A83.9Confident80.1Confident25 Ų25103.3 Ų103.321%0.20750%0.497CS..  trans-64126.9-178.300000112.2K311 L372 R373K311-A376 PolarHBondContact NZ-O 2.91Å; L372-A376 HydrophobicContact CD1-CB 3.67Å; L372-A376 HydrophobicContact CG-CB 4.33Å; R373-A376 WeakPolarHBondContact O-CB 3.46Å; R373-A376 PolarHBondContact O-N 3.48Å
377K81.7Confident78.4Confident163 Ų163104.6 Ų104.671%0.70950%0.503SS*.  trans-84.1115.6171.9-64.1-178.5-178.3179.50108.5N375 E380N375-K377 PolarHBondContact O-N 2.92Å; K377-E380 WeakPolarHBondContact CD-OE1 3.36Å
378L79.7Confident76.8Confident23 Ų23106.1 Ų106.112%0.1251%0.507CS..  trans-101.2-7.1-175.4-63.4175000113.6Y308 K311 F313 L372Y308-L378 HydrophobicContact CD1-CD1 4.21Å; K311-L378 HydrophobicContact CD-CD1 4.33Å; F313-L378 HydrophobicContact CB-CD1 3.83Å; F313-L378 HydrophobicContact CD1-CD1 3.73Å; F313-L378 HydrophobicContact CD2-CB 3.53Å; F313-L378 HydrophobicContact CD2-CD1 3.97Å; F313-L378 HydrophobicContact CD2-CG 4.39Å; F313-L378 HydrophobicContact CE1-CD1 4.25Å; F313-L378 HydrophobicContact CE2-CB 3.57Å; F313-L378 HydrophobicContact CE2-CD1 4.48Å; F313-L378 VanDerWaalsContact CE2-O 3.23Å; F313-L378 WeakPolarHBondContact CE2-O 3.45Å; F313-L378 HydrophobicContact CG-CB 4.03Å; F313-L378 HydrophobicContact CG-CD1 3.56Å; F313-L378 HydrophobicContact CG-CG 4.43Å; F313-L378 HydrophobicContact CZ-CB 4.09Å; L372-L378 HydrophobicContact CD1-CD2 4Å; L372-L378 HydrophobicContact CD2-CD1 4.05Å; L372-L378 HydrophobicContact CD2-CD2 4.43Å
379T72.7Confident75.2Confident114 Ų114104 Ų10470%0.69951%0.509SS*.  trans-92.9-6.2-172.649.90000113.6K381T379-K381 PolarHBondContact O-N 3.21Å
380E70.4Confident73.7Confident120 Ų120105.5 Ų105.556%0.56152%0.516SS*.PPolyproline II helixtrans-72.3124.5176.5-68176-167.400108.5K377K377-E380 WeakPolarHBondContact CD-OE1 3.36Å
381K73.5Confident72.2Confident119 Ų119103.2 Ų103.252%0.51752%0.517SS..PPolyproline II helixtrans-83.1137.8172.7-69-177.8173.5-176.20108.3D331 T379D331-K381 WeakPolarHBondContact OD1-CE 3.5Å; D331-K381 IonicContact OD1-NZ 2.99Å; D331-K381 PolarHBondContact OD1-NZ 2.88Å; D331-K381 IonicContact OD2-NZ 2.83Å; D331-K381 PolarHBondContact OD2-NZ 3.08Å; T379-K381 PolarHBondContact O-N 3.21Å
382V70.2Confident70.8Confident52 Ų52103.8 Ų103.832%0.31552%0.517SS..PPolyproline II helixtrans-61.2130.4166.8-179.10000107.1L333 D384L333-V382 HydrophobicContact CD2-CB 4.22Å; L333-V382 HydrophobicContact CD2-CG1 4.4Å; L333-V382 HydrophobicContact CD2-CG2 4.3Å; L333-V382 HydrophobicContact CG-CB 4.24Å; L333-V382 HydrophobicContact CG-CG2 4.08Å; L333-V382 PolarHBondContact O-N 3.06Å; V382-D384 PolarHBondContact O-N 3.49Å
383P62.8Low69.5Low86 Ų86109.9 Ų109.956%0.55855%0.545SS*.PPolyproline II helixtrans-52.5127.4-180-24.331.9000110.4E385 I387P383-E385 PolarHBondContact O-N 2.87Å; P383-I387 HydrophobicContact CB-CD1 4.23Å
384D60.9Low68.4Low94 Ų94107.9 Ų107.950%0.50354%0.544SS..PPolyproline II helixtrans-55.4141.7177.4-89.5-26.4000110.3V382 K386 I387V382-D384 PolarHBondContact O-N 3.49Å; D384-K386 PolarHBondContact O-N 2.93Å; D384-I387 WeakPolarHBondContact O-CB 3.43Å; D384-I387 PolarHBondContact O-N 2.78Å
385E58.1Low67.6Low140 Ų140107 Ų10765%0.65454%0.54SS*.Hα-helixtrans-50-26.8176.8-70.5168.5-17200112.9P383 I387 I388 A389P383-E385 PolarHBondContact O-N 2.87Å; E385-I387 PolarHBondContact O-N 2.83Å; E385-I388 WeakPolarHBondContact O-CB 3.2Å; E385-I388 PolarHBondContact O-N 2.81Å; E385-I388 VanDerWaalsContact O-N 3.07Å; E385-A389 WeakPolarHBondContact O-CB 3.25Å; E385-A389 PolarHBondContact O-N 2.97Å
386K54.4Low67.1Low162 Ų162112.5 Ų112.570%0.70455%0.552SS**Hα-helixtrans-56.3-37.1173.7-70.3-177.9179.1177.10112.8D384 A389 I390D384-K386 PolarHBondContact O-N 2.93Å; K386-A389 PolarHBondContact O-N 2.88Å; K386-I390 WeakPolarHBondContact O-CD1 3.5Å; K386-I390 VanDerWaalsContact O-CG1 3.25Å; K386-I390 WeakPolarHBondContact O-CG1 3.38Å; K386-I390 PolarHBondContact O-N 3.07Å
387I56.9Low66.9Low111 Ų111118.5 Ų118.557%0.56958%0.579SS**Hα-helixtrans-69.8-38.5178.3-58.5174.9000109.8P383 D384 E385 I390 G391P383-I387 HydrophobicContact CB-CD1 4.23Å; D384-I387 WeakPolarHBondContact O-CB 3.43Å; D384-I387 PolarHBondContact O-N 2.78Å; E385-I387 PolarHBondContact O-N 2.83Å; I387-I390 PolarHBondContact O-N 2.84Å; I387-G391 PolarHBondContact O-N 3.04Å
388I58.8Low66.9Low100 Ų100116.6 Ų116.651%0.51358%0.584SS.*Hα-helixtrans-66-45.1175.5-55.5175.3000110.1E385 I390 G391 E392E385-I388 WeakPolarHBondContact O-CB 3.2Å; E385-I388 PolarHBondContact O-N 2.81Å; E385-I388 VanDerWaalsContact O-N 3.07Å; I388-I390 VanDerWaalsContact C-N 3.33Å; I388-I390 PolarHBondContact O-N 2.82Å; I388-G391 CarbonylContact O-C 3.59Å; I388-G391 WeakPolarHBondContact O-CA 3.49Å; I388-G391 PolarHBondContact O-N 3.45Å; I388-E392 PolarHBondContact O-N 2.92Å
389A59.7Low67Low43 Ų43122.6 Ų122.636%0.35562%0.615SS.*Hα-helixtrans-61.6-37.7178.700000112.7E385 K386 G391 E392 Q393E385-A389 WeakPolarHBondContact O-CB 3.25Å; E385-A389 PolarHBondContact O-N 2.97Å; K386-A389 PolarHBondContact O-N 2.88Å; A389-G391 VanDerWaalsContact C-N 3.31Å; A389-E392 PolarHBondContact O-N 2.85Å; A389-Q393 WeakPolarHBondContact O-CB 3.08Å; A389-Q393 WeakPolarHBondContact O-CG 3.41Å; A389-Q393 PolarHBondContact O-N 2.84Å
390I61.1Low67.7Low96 Ų96122.7 Ų122.749%0.49262%0.618SS.*Hα-helixtrans-62.6-41.2172.2-67.7163000110.3K386 I387 I388 Q393 Q394K386-I390 WeakPolarHBondContact O-CD1 3.5Å; K386-I390 VanDerWaalsContact O-CG1 3.25Å; K386-I390 WeakPolarHBondContact O-CG1 3.38Å; K386-I390 PolarHBondContact O-N 3.07Å; I387-I390 PolarHBondContact O-N 2.84Å; I388-I390 VanDerWaalsContact C-N 3.33Å; I388-I390 PolarHBondContact O-N 2.82Å; I390-Q393 PolarHBondContact O-N 2.81Å; I390-Q394 WeakPolarHBondContact O-CG 3.24Å; I390-Q394 PolarHBondContact O-N 3.03Å
391G63.6Low68.5Low40 Ų40126.4 Ų126.441%0.41263%0.632SS.*Hα-helixtrans-63.4-37.9175.100000113.4I387 I388 A389 Q394I387-G391 PolarHBondContact O-N 3.04Å; I388-G391 CarbonylContact O-C 3.59Å; I388-G391 WeakPolarHBondContact O-CA 3.49Å; I388-G391 PolarHBondContact O-N 3.45Å; A389-G391 VanDerWaalsContact C-N 3.31Å; G391-Q394 PolarHBondContact O-N 2.91Å
392E63.6Low69.3Low119 Ų119128.1 Ų128.156%0.55664%0.64SS**Hα-helixtrans-73-38.6176.6-70-168.6155.500112.8I388 A389 Q394 R395I388-E392 PolarHBondContact O-N 2.92Å; A389-E392 PolarHBondContact O-N 2.85Å; E392-Q394 PolarHBondContact O-N 2.96Å; E392-R395 WeakPolarHBondContact O-CB 3.45Å; E392-R395 PolarHBondContact O-N 2.83Å
393Q65.5Low70.4Confident166 Ų166129.8 Ų129.878%0.77665%0.65SS**Hα-helixtrans-63.5-23.3174.9-76.7-177.6-8.200113A389 I390 R395A389-Q393 WeakPolarHBondContact O-CB 3.08Å; A389-Q393 WeakPolarHBondContact O-CG 3.41Å; A389-Q393 PolarHBondContact O-N 2.84Å; I390-Q393 PolarHBondContact O-N 2.81Å; Q393-R395 PolarHBondContact O-N 2.76Å
394Q67.7Low71.8Confident154 Ų154133.3 Ų133.372%0.7266%0.657SS**THydrogen-bonded Turntrans-75.7-8.5173.2-71.9-178.60.100113.5I390 G391 E392 R396I390-Q394 WeakPolarHBondContact O-CG 3.24Å; I390-Q394 PolarHBondContact O-N 3.03Å; G391-Q394 PolarHBondContact O-N 2.91Å; E392-Q394 PolarHBondContact O-N 2.96Å; Q394-R396 PolarHBondContact O-N 2.99Å
395R69Low73.3Confident193 Ų193135.3 Ų135.373%0.72867%0.667SS**SBendtrans-72.8116170.9-70.7-175.7174.6171.70.3109.9E392 Q393 L397E392-R395 WeakPolarHBondContact O-CB 3.45Å; E392-R395 PolarHBondContact O-N 2.83Å; Q393-R395 PolarHBondContact O-N 2.76Å; R395-L397 PolarHBondContact O-N 2.73Å
396R74Confident75.1Confident242 Ų242133.6 Ų133.691%0.91366%0.657SS**  trans-60.1132.6172.8-69.5-172176.7-168.8-0.5110.4Q394Q394-R396 PolarHBondContact O-N 2.99Å
397L80.4Confident77Confident151 Ų151129.2 Ų129.279%0.79164%0.644SS**  trans-58.5133.7176.9-70.7166.2000111.2R395 L399R395-L397 PolarHBondContact O-N 2.73Å; L397-L399 PolarHBondContact O-N 2.86Å
398P81.4Confident78.8Confident124 Ų124127.7 Ų127.781%0.80564%0.637SS**  trans-7887.8177.331.6-33.4000110.5
399L83Confident80.5Confident148 Ų148126.4 Ų126.478%0.77563%0.629SS**PPolyproline II helixtrans-77.9125.1173-72166.7000110.4L397 K401L397-L399 PolarHBondContact O-N 2.86Å; L399-K401 PolarHBondContact O-N 2.85Å
400P86.6Confident82.2Confident117 Ų117126 Ų12676%0.7663%0.626SS**PPolyproline II helixtrans-64.3133.6178.425.5-32.2000110.2K402P400-K402 PolarHBondContact O-N 2.89Å
401K86.6Confident83.8Confident197 Ų197124.3 Ų124.386%0.85762%0.617SS**PPolyproline II helixtrans-74.3128.3178.2-66.6-176.6-179.6179.10109.6L399 T403L399-K401 PolarHBondContact O-N 2.85Å; K401-T403 PolarHBondContact O-N 2.88Å
402K90.7Very high85.3Confident155 Ų155129.2 Ų129.267%0.67462%0.623SS**PPolyproline II helixtrans-66.5119.4171.8-71.4178.9170.7-173.30109.2P400 F406P400-K402 PolarHBondContact O-N 2.89Å; K402-F406 HydrophobicContact CB-CD1 4.06Å; K402-F406 HydrophobicContact CB-CG 4.41Å; K402-F406 HydrophobicContact CD-CD1 3.68Å; K402-F406 HydrophobicContact CD-CE1 3.56Å; K402-F406 HydrophobicContact CD-CG 4.46Å; K402-F406 HydrophobicContact CD-CZ 4.22Å; K402-F406 HydrophobicContact CG-CD1 3.99Å; K402-F406 HydrophobicContact CG-CE1 4.3Å; K402-F406 HydrophobicContact CG-CG 4.35Å
403T93.1Very high86.8Confident87 Ų87128 Ų12853%0.53462%0.617SS.*PPolyproline II helixtrans-75.8163.6178.758.10000110.8K401 L405 F406 V407K401-T403 PolarHBondContact O-N 2.88Å; T403-L405 PolarHBondContact O-N 2.84Å; T403-F406 WeakPolarHBondContact O-CB 3.25Å; T403-F406 PolarHBondContact O-N 2.52Å; T403-V407 PolarHBondContact O-N 3.45Å
404K93.4Very high88.2Confident161 Ų161128.4 Ų128.470%0.761%0.612SS**Hα-helixtrans-54.7-36.6172.8-170.9-177.3172.4-176.40111.9F406 V407 D408K404-F406 VanDerWaalsContact C-N 3.3Å; K404-F406 PolarHBondContact O-N 3.32Å; K404-V407 CarbonylContact O-C 3.49Å; K404-V407 WeakPolarHBondContact O-CA 3.29Å; K404-V407 WeakPolarHBondContact O-CB 3.09Å; K404-V407 PolarHBondContact O-N 3.09Å; K404-D408 VanDerWaalsContact O-CG 3.3Å; K404-D408 PolarHBondContact O-N 3.14Å
405L92.7Very high89.5Confident136 Ų136128.2 Ų128.271%0.71261%0.611SS**Hα-helixtrans-56-41.7175.8-165.585.1000112.8T403 V407 D408 Q409T403-L405 PolarHBondContact O-N 2.84Å; L405-V407 VanDerWaalsContact C-N 3.32Å; L405-V407 PolarHBondContact O-N 2.82Å; L405-D408 PolarHBondContact O-N 3.32Å; L405-Q409 WeakPolarHBondContact O-CB 3.3Å; L405-Q409 PolarHBondContact O-N 3.21Å
406F95.1Very high90.7Very high104 Ų104122.5 Ų122.546%0.45660%0.595SS.*Hα-helixtrans-63.5-41176.1176.8-87.5000111.3K402 T403 K404 A410K402-F406 HydrophobicContact CB-CD1 4.06Å; K402-F406 HydrophobicContact CB-CG 4.41Å; K402-F406 HydrophobicContact CD-CD1 3.68Å; K402-F406 HydrophobicContact CD-CE1 3.56Å; K402-F406 HydrophobicContact CD-CG 4.46Å; K402-F406 HydrophobicContact CD-CZ 4.22Å; K402-F406 HydrophobicContact CG-CD1 3.99Å; K402-F406 HydrophobicContact CG-CE1 4.3Å; K402-F406 HydrophobicContact CG-CG 4.35Å; T403-F406 WeakPolarHBondContact O-CB 3.25Å; T403-F406 PolarHBondContact O-N 2.52Å; K404-F406 VanDerWaalsContact C-N 3.3Å; K404-F406 PolarHBondContact O-N 3.32Å; F406-A410 WeakPolarHBondContact O-CB 3.21Å; F406-A410 PolarHBondContact O-N 3.41Å
407V93.7Very high91.7Very high70 Ų70117.4 Ų117.442%0.42458%0.577SS.*Hα-helixtrans-67-43.5178.3-178.10000110.8T403 K404 L405 A410 N411T403-V407 PolarHBondContact O-N 3.45Å; K404-V407 CarbonylContact O-C 3.49Å; K404-V407 WeakPolarHBondContact O-CA 3.29Å; K404-V407 WeakPolarHBondContact O-CB 3.09Å; K404-V407 PolarHBondContact O-N 3.09Å; L405-V407 VanDerWaalsContact C-N 3.32Å; L405-V407 PolarHBondContact O-N 2.82Å; V407-A410 PolarHBondContact O-N 2.93Å; V407-N411 PolarHBondContact O-N 2.89Å; V407-N411 PolarHBondContact O-ND2 3.02Å
408D95Very high92.5Very high78 Ų78118.2 Ų118.242%0.41757%0.569SS.*Hα-helixtrans-64.2-42.5179.5-66.4-16.7000111.3K404 L405 N411 R412K404-D408 VanDerWaalsContact O-CG 3.3Å; K404-D408 PolarHBondContact O-N 3.14Å; L405-D408 PolarHBondContact O-N 3.32Å; D408-N411 PolarHBondContact O-N 3.48Å; D408-R412 PolarHBondContact O-N 3.44Å
409Q95Very high93.2Very high74 Ų74115.4 Ų115.435%0.34655%0.552SS.*Hα-helixtrans-62.9-41.8174.2179.864.420.900112L405 N411 R412 E413L405-Q409 WeakPolarHBondContact O-CB 3.3Å; L405-Q409 PolarHBondContact O-N 3.21Å; Q409-N411 VanDerWaalsContact C-N 3.32Å; Q409-N411 PolarHBondContact O-N 2.83Å; Q409-R412 WeakPolarHBondContact O-CB 3.46Å; Q409-R412 PolarHBondContact O-N 3.48Å; Q409-E413 PolarHBondContact NE2-OE1 2.96Å; Q409-E413 PolarHBondContact O-N 3.26Å
410A95.1Very high93.7Very high35 Ų35111.8 Ų111.829%0.28953%0.532SS..Hα-helixtrans-65-35.617700000112.4F406 V407 R414F406-A410 WeakPolarHBondContact O-CB 3.21Å; F406-A410 PolarHBondContact O-N 3.41Å; V407-A410 PolarHBondContact O-N 2.93Å; A410-R414 WeakPolarHBondContact O-CB 3.18Å; A410-R414 PolarHBondContact O-N 3.42Å
411N94.3Very high94.2Very high60 Ų60111.5 Ų111.532%0.32152%0.521SS..Hα-helixtrans-68-43.9173.7-71.3-25.7000111.4V407 D408 Q409 E413 R414 E415V407-N411 PolarHBondContact O-N 2.89Å; V407-N411 PolarHBondContact O-ND2 3.02Å; D408-N411 PolarHBondContact O-N 3.48Å; Q409-N411 VanDerWaalsContact C-N 3.32Å; Q409-N411 PolarHBondContact O-N 2.83Å; N411-E413 VanDerWaalsContact C-N 3.32Å; N411-E413 PolarHBondContact O-N 2.94Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 2.89Å; N411-R414 VanDerWaalsContact O-N 3.15Å; N411-R414 PolarHBondContact OD1-NH1 3.45Å; N411-E415 PolarHBondContact O-N 3.28Å
412R95.1Very high94.7Very high143 Ų143108.5 Ų108.554%0.5451%0.51SS..Hα-helixtrans-56.5-44.7174.3177.3-171.6172.4-166.91.1112.3D408 Q409 E415 N416D408-R412 PolarHBondContact O-N 3.44Å; Q409-R412 WeakPolarHBondContact O-CB 3.46Å; Q409-R412 PolarHBondContact O-N 3.48Å; R412-E415 PolarHBondContact O-N 3.36Å; R412-N416 WeakPolarHBondContact O-CB 3.49Å; R412-N416 PolarHBondContact O-N 3.27Å; R412-N416 PolarHBondContact O-ND2 3.21Å
413E95.6Very high95Very high92 Ų92111.2 Ų111.243%0.4352%0.516SS..Hα-helixtrans-65.1-39.4177.2-77.2175.8-161.500111.8Q409 N411 E415 N416 Y417 M420Q409-E413 PolarHBondContact NE2-OE1 2.96Å; Q409-E413 PolarHBondContact O-N 3.26Å; N411-E413 VanDerWaalsContact C-N 3.32Å; N411-E413 PolarHBondContact O-N 2.94Å; E413-E415 VanDerWaalsContact C-N 3.35Å; E413-E415 PolarHBondContact O-N 3Å; E413-N416 PolarHBondContact O-N 2.98Å; E413-Y417 WeakPolarHBondContact O-CA 3.29Å; E413-Y417 WeakPolarHBondContact O-CB 3.45Å; E413-Y417 PolarHBondContact O-N 2.85Å; E413-M420 HydrophobicContact CG-CE 3.84Å; E413-M420 HydrophobicContact CG-SD 3.96Å
414R94.9Very high95.2Very high175 Ų175114 Ų11466%0.6652%0.517SS*.Hα-helixtrans-63.9-37.4176.2-171.7-175.4-68.5128.5-0.7112.7A410 N411 Y417A410-R414 WeakPolarHBondContact O-CB 3.18Å; A410-R414 PolarHBondContact O-N 3.42Å; N411-R414 WeakPolarHBondContact O-CB 3.46Å; N411-R414 PolarHBondContact O-N 2.89Å; N411-R414 VanDerWaalsContact O-N 3.15Å; N411-R414 PolarHBondContact OD1-NH1 3.45Å; R414-Y417 VanDerWaalsContact O-CD1 3.31Å; R414-Y417 WeakPolarHBondContact O-CD1 3.4Å
415E95.4Very high95.4Very high151 Ų151110.3 Ų110.371%0.70650%0.503SS*.Hα-helixtrans-78.4-33.7-179.8-70173-176.500112.6N411 R412 E413N411-E415 PolarHBondContact O-N 3.28Å; R412-E415 PolarHBondContact O-N 3.36Å; E413-E415 VanDerWaalsContact C-N 3.35Å; E413-E415 PolarHBondContact O-N 3Å
416N94.4Very high95.6Very high72 Ų72110.3 Ų110.339%0.38550%0.497SS..Hα-helixtrans-118.420.9-169.4-62.4-69.2000114.8R412 E413 R418 S419 M420R412-N416 WeakPolarHBondContact O-CB 3.49Å; R412-N416 PolarHBondContact O-N 3.27Å; R412-N416 PolarHBondContact O-ND2 3.21Å; E413-N416 PolarHBondContact O-N 2.98Å; N416-R418 VanDerWaalsContact C-N 3.3Å; N416-R418 PolarHBondContact O-N 3.11Å; N416-S419 PolarHBondContact O-N 3.11Å; N416-S419 PolarHBondContact O-OG 2.9Å; N416-S419 VanDerWaalsContact O-OG 3.06Å; N416-M420 WeakPolarHBondContact O-CG 3.4Å; N416-M420 PolarHBondContact O-N 3.21Å; N416-M420 VanDerWaalsContact O-N 3.12Å
417Y95.2Very high95.7Very high135 Ų135107 Ų10753%0.52949%0.492SS..Hα-helixtrans-54.6-39.6-174.164-82.6000114.1E413 R414 H421E413-Y417 WeakPolarHBondContact O-CA 3.29Å; E413-Y417 WeakPolarHBondContact O-CB 3.45Å; E413-Y417 PolarHBondContact O-N 2.85Å; R414-Y417 VanDerWaalsContact O-CD1 3.31Å; R414-Y417 WeakPolarHBondContact O-CD1 3.4Å; Y417-H421 WeakPolarHBondContact O-CB 3.18Å; Y417-H421 PolarHBondContact O-N 2.97Å
418R95.8Very high95.9Very high169 Ų169105.6 Ų105.664%0.63848%0.482SS*.Hα-helixtrans-65.2-50.4-178.3-64.1-170-175.6-176.5-2112.1N416 M420 H421 E422N416-R418 VanDerWaalsContact C-N 3.3Å; N416-R418 PolarHBondContact O-N 3.11Å; R418-M420 VanDerWaalsContact C-N 3.32Å; R418-M420 PolarHBondContact O-N 3.29Å; R418-H421 PolarHBondContact O-N 3.3Å; R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.82Å
419S95.8Very high95.9Very high64 Ų64106.7 Ų106.745%0.44849%0.488SS..Hα-helixtrans-66.3-36.3-178.864.40000111.8N416 R423N416-S419 PolarHBondContact O-N 3.11Å; N416-S419 PolarHBondContact O-OG 2.9Å; N416-S419 VanDerWaalsContact O-OG 3.06Å; S419-R423 VanDerWaalsContact O-CB 3.29Å; S419-R423 WeakPolarHBondContact O-CB 3.28Å; S419-R423 PolarHBondContact O-N 3.33Å
420M95.4Very high96Very high72 Ų72108.5 Ų108.536%0.35550%0.496SS..Hα-helixtrans-63.3-44173.2-70.8-177.264.200111.7E413 N416 R418 Y424E413-M420 HydrophobicContact CG-CE 3.84Å; E413-M420 HydrophobicContact CG-SD 3.96Å; N416-M420 WeakPolarHBondContact O-CG 3.4Å; N416-M420 PolarHBondContact O-N 3.21Å; N416-M420 VanDerWaalsContact O-N 3.12Å; R418-M420 VanDerWaalsContact C-N 3.32Å; R418-M420 PolarHBondContact O-N 3.29Å; M420-Y424 VanDerWaalsContact O-CB 3.32Å; M420-Y424 WeakPolarHBondContact O-CB 3.24Å; M420-Y424 PolarHBondContact O-N 2.95Å
421H96.6Very high96.1Very high112 Ų112111.7 Ų111.752%0.51951%0.508SS..Hα-helixtrans-63.8-47.4177.4-178.779.5000112.3Y417 R418 R423 Y424 Q425Y417-H421 WeakPolarHBondContact O-CB 3.18Å; Y417-H421 PolarHBondContact O-N 2.97Å; R418-H421 PolarHBondContact O-N 3.3Å; H421-R423 PolarHBondContact O-N 2.66Å; H421-Y424 WeakPolarHBondContact O-CB 3.38Å; H421-Y424 PolarHBondContact O-N 2.91Å; H421-Q425 PolarHBondContact CE1-NE2 2.85Å; H421-Q425 WeakPolarHBondContact O-CG 3.47Å; H421-Q425 PolarHBondContact O-N 3.1Å
422E96.8Very high96.3Very high133 Ų133116 Ų11662%0.62152%0.519SS*.Hα-helixtrans-61.2-44.3178.4-72.5172.3176.400111.9R418 Y424 Q425 K426R418-E422 WeakPolarHBondContact O-CG 3.49Å; R418-E422 PolarHBondContact O-N 2.82Å; E422-Y424 VanDerWaalsContact C-N 3.32Å; E422-Y424 PolarHBondContact O-N 2.83Å; E422-Q425 PolarHBondContact O-N 3.42Å; E422-K426 PolarHBondContact O-N 2.9Å
423R96.6Very high96.3Very high212 Ų212112.9 Ų112.980%0.851%0.513SS*.Hα-helixtrans-63-39.9176.2-171.9173.4-1751641.5111.9S419 H421 G427S419-R423 VanDerWaalsContact O-CB 3.29Å; S419-R423 WeakPolarHBondContact O-CB 3.28Å; S419-R423 PolarHBondContact O-N 3.33Å; H421-R423 PolarHBondContact O-N 2.66Å; R423-G427 PolarHBondContact O-N 2.82Å
424Y97Very high96.4Very high145 Ų145112.1 Ų112.157%0.56952%0.517SS*.Hα-helixtrans-63.6-46.8175.6175.9-98.9000111.8M420 H421 E422 K426 G427 L428M420-Y424 VanDerWaalsContact O-CB 3.32Å; M420-Y424 WeakPolarHBondContact O-CB 3.24Å; M420-Y424 PolarHBondContact O-N 2.95Å; H421-Y424 WeakPolarHBondContact O-CB 3.38Å; H421-Y424 PolarHBondContact O-N 2.91Å; E422-Y424 VanDerWaalsContact C-N 3.32Å; E422-Y424 PolarHBondContact O-N 2.83Å; Y424-K426 PolarHBondContact O-N 2.93Å; Y424-G427 PolarHBondContact O-N 2.85Å; Y424-L428 HydrophobicContact CE1-CD2 4.19Å; Y424-L428 WeakPolarHBondContact O-CB 3.42Å; Y424-L428 PolarHBondContact O-N 2.82Å
425Q97.4Very high96.4Very high85 Ų85107.5 Ų107.540%0.39751%0.509SS..Hα-helixtrans-61.9-42.9178.3-69.5-61.2-24.500112H421 E422 L428 L429H421-Q425 PolarHBondContact CE1-NE2 2.85Å; H421-Q425 WeakPolarHBondContact O-CG 3.47Å; H421-Q425 PolarHBondContact O-N 3.1Å; E422-Q425 PolarHBondContact O-N 3.42Å; Q425-L428 PolarHBondContact O-N 2.89Å; Q425-L429 PolarHBondContact O-N 3.17Å
426K97Very high96.3Very high135 Ų135104.1 Ų104.159%0.58750%0.498SS*.Hα-helixtrans-60.2-49.3174.7-177.2178.3174.3-1800111.6E422 Y424 L428 L429 E430E422-K426 PolarHBondContact O-N 2.9Å; Y424-K426 PolarHBondContact O-N 2.93Å; K426-L428 VanDerWaalsContact C-N 3.32Å; K426-L428 PolarHBondContact O-N 2.81Å; K426-L429 PolarHBondContact O-N 3.22Å; K426-E430 WeakPolarHBondContact CE-OE1 3.28Å; K426-E430 WeakPolarHBondContact O-CG 3.48Å; K426-E430 PolarHBondContact O-N 2.9Å
427G97.3Very high96.3Very high34 Ų34109.5 Ų109.535%0.35151%0.513SS..Hα-helixtrans-62.5-37.8178.300000113R423 Y424 E430 L431R423-G427 PolarHBondContact O-N 2.82Å; Y424-G427 PolarHBondContact O-N 2.85Å; G427-E430 PolarHBondContact O-N 2.87Å; G427-L431 WeakPolarHBondContact O-CB 3.32Å; G427-L431 PolarHBondContact O-N 3.23Å
428L97.4Very high96.1Very high41 Ų41105.9 Ų105.922%0.21551%0.512CS..Hα-helixtrans-66-38.2176-177.162.3000112.1Y424 Q425 K426 R432Y424-L428 HydrophobicContact CE1-CD2 4.19Å; Y424-L428 WeakPolarHBondContact O-CB 3.42Å; Y424-L428 PolarHBondContact O-N 2.82Å; Q425-L428 PolarHBondContact O-N 2.89Å; K426-L428 VanDerWaalsContact C-N 3.32Å; K426-L428 PolarHBondContact O-N 2.81Å; L428-R432 WeakPolarHBondContact O-CG 3.32Å; L428-R432 PolarHBondContact O-N 3.34Å
429L96.8Very high95.8Very high102 Ų102103.3 Ų103.353%0.53450%0.503SS..Hα-helixtrans-66.5-46.2176-17766.8000111.5Q425 K426 L431 R432 I433Q425-L429 PolarHBondContact O-N 3.17Å; K426-L429 PolarHBondContact O-N 3.22Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.73Å; L429-R432 PolarHBondContact O-N 2.98Å; L429-I433 HydrophobicContact CD1-CD1 4.45Å; L429-I433 HydrophobicContact CG-CD1 4.13Å; L429-I433 WeakPolarHBondContact O-CG1 3.44Å; L429-I433 PolarHBondContact O-N 3.36Å
430E96.8Very high95.4Very high112 Ų112104 Ų10452%0.52350%0.501SS..Hα-helixtrans-58.3-43.8175.3-73.1172.4-176.600111.2K426 G427 I433 S434K426-E430 WeakPolarHBondContact CE-OE1 3.28Å; K426-E430 WeakPolarHBondContact O-CG 3.48Å; K426-E430 PolarHBondContact O-N 2.9Å; G427-E430 PolarHBondContact O-N 2.87Å; E430-I433 PolarHBondContact O-N 3.37Å; E430-S434 WeakPolarHBondContact O-CB 3.22Å; E430-S434 PolarHBondContact O-N 3.22Å
431L97.3Very high95Very high102 Ų102104.2 Ų104.253%0.53450%0.503SS..Hα-helixtrans-59.4-49.8174.5-178.663.7000111.2G427 L429 I433 S434 T435G427-L431 WeakPolarHBondContact O-CB 3.32Å; G427-L431 PolarHBondContact O-N 3.23Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.73Å; L431-I433 VanDerWaalsContact C-N 3.33Å; L431-I433 PolarHBondContact O-N 2.98Å; L431-S434 PolarHBondContact O-N 2.96Å; L431-T435 WeakPolarHBondContact O-CB 3.49Å; L431-T435 PolarHBondContact O-N 2.95Å; L431-T435 PolarHBondContact O-OG1 3.06Å
432R97.3Very high94.5Very high151 Ų151101.9 Ų101.957%0.5749%0.493SS*.Hα-helixtrans-57.6-44.1178.5-76.5173.6178.7171.30.3112.2L428 L429 T435 T436L428-R432 WeakPolarHBondContact O-CG 3.32Å; L428-R432 PolarHBondContact O-N 3.34Å; L429-R432 PolarHBondContact O-N 2.98Å; R432-T435 PolarHBondContact O-N 3.14Å; R432-T436 WeakPolarHBondContact O-CB 3.17Å; R432-T436 PolarHBondContact O-N 3.34Å; R432-T436 PolarHBondContact O-OG1 3Å
433I96.3Very high93.8Very high77 Ų7797.8 Ų97.840%0.39548%0.475SS..Hα-helixtrans-63.9-46178.3-68.3166.2000110.7L429 E430 L431 T436 R437L429-I433 HydrophobicContact CD1-CD1 4.45Å; L429-I433 HydrophobicContact CG-CD1 4.13Å; L429-I433 WeakPolarHBondContact O-CG1 3.44Å; L429-I433 PolarHBondContact O-N 3.36Å; E430-I433 PolarHBondContact O-N 3.37Å; L431-I433 VanDerWaalsContact C-N 3.33Å; L431-I433 PolarHBondContact O-N 2.98Å; I433-T436 PolarHBondContact O-N 3.21Å; I433-R437 WeakPolarHBondContact O-CG 3.47Å; I433-R437 PolarHBondContact O-N 3.27Å
434S96.9Very high93.2Very high75 Ų7594.8 Ų94.852%0.52447%0.471SS..Hα-helixtrans-59.7-47.4177.2-176.40000111.3E430 L431 R437 A438E430-S434 WeakPolarHBondContact O-CB 3.22Å; E430-S434 PolarHBondContact O-N 3.22Å; L431-S434 PolarHBondContact O-N 2.96Å; S434-R437 PolarHBondContact O-N 3.43Å; S434-A438 WeakPolarHBondContact O-CB 3.25Å; S434-A438 PolarHBondContact O-N 3.46Å
435T95.2Very high92.4Very high79 Ų7993.6 Ų93.649%0.48547%0.468SS..Hα-helixtrans-62.6-44.7177.7-52.40000111.9L431 R432 R437 A438 Y439L431-T435 WeakPolarHBondContact O-CB 3.49Å; L431-T435 PolarHBondContact O-N 2.95Å; L431-T435 PolarHBondContact O-OG1 3.06Å; R432-T435 PolarHBondContact O-N 3.14Å; T435-R437 PolarHBondContact O-N 3.19Å; T435-A438 PolarHBondContact O-N 3.43Å; T435-Y439 VanDerWaalsContact O-CB 3.24Å; T435-Y439 WeakPolarHBondContact O-CB 3.3Å; T435-Y439 PolarHBondContact O-N 3.23Å
436T93.7Very high91.5Very high80 Ų8091.9 Ų91.949%0.49146%0.459SS..Hα-helixtrans-63-42.6178.2-61.70000111.6R432 I433 Y439 I440R432-T436 WeakPolarHBondContact O-CB 3.17Å; R432-T436 PolarHBondContact O-N 3.34Å; R432-T436 PolarHBondContact O-OG1 3Å; I433-T436 PolarHBondContact O-N 3.21Å; T436-Y439 PolarHBondContact O-N 3.18Å; T436-I440 HydrophobicContact CG2-CD1 3.86Å; T436-I440 HydrophobicContact CG2-CG1 4.42Å; T436-I440 VanDerWaalsContact O-CG1 3.3Å; T436-I440 WeakPolarHBondContact O-CG1 3.44Å; T436-I440 PolarHBondContact O-N 2.87Å
437R94.8Very high90.5Very high184 Ų18489 Ų8969%0.69445%0.449SS*.Hα-helixtrans-63.1-44.6176.3-73.8175.9177.5176-0.2111.9I433 S434 T435 Y439 N441I433-R437 WeakPolarHBondContact O-CG 3.47Å; I433-R437 PolarHBondContact O-N 3.27Å; S434-R437 PolarHBondContact O-N 3.43Å; T435-R437 PolarHBondContact O-N 3.19Å; R437-Y439 VanDerWaalsContact C-N 3.33Å; R437-N441 PolarHBondContact O-N 2.79Å; R437-N441 VanDerWaalsContact O-N 3.16Å
438A90.9Very high89.1Confident60 Ų6088.7 Ų88.750%0.49644%0.439SS..Hα-helixtrans-63-40.4175.900000111.7S434 T435 N441 M442S434-A438 WeakPolarHBondContact O-CB 3.25Å; S434-A438 PolarHBondContact O-N 3.46Å; T435-A438 PolarHBondContact O-N 3.43Å; A438-N441 PolarHBondContact O-N 3.49Å; A438-M442 WeakPolarHBondContact O-CB 3.5Å; A438-M442 PolarHBondContact O-N 3.03Å
439Y88.1Confident87.3Confident114 Ų11489.6 Ų89.645%0.44745%0.448SS..Hα-helixtrans-67.6-42.7179.1-172.5-108000112.8T435 T436 R437 M442 L443T435-Y439 VanDerWaalsContact O-CB 3.24Å; T435-Y439 WeakPolarHBondContact O-CB 3.3Å; T435-Y439 PolarHBondContact O-N 3.23Å; T436-Y439 PolarHBondContact O-N 3.18Å; R437-Y439 VanDerWaalsContact C-N 3.33Å; Y439-M442 WeakPolarHBondContact O-CB 3.1Å; Y439-M442 PolarHBondContact O-N 3.25Å; Y439-L443 HydrophobicContact CD1-CD1 3.79Å; Y439-L443 HydrophobicContact CD1-CG 4.28Å; Y439-L443 HydrophobicContact CE1-CD1 3.42Å; Y439-L443 VanDerWaalsContact CE1-CD1 3.42Å; Y439-L443 HydrophobicContact CE1-CD2 4.32Å; Y439-L443 HydrophobicContact CE1-CG 3.98Å; Y439-L443 WeakPolarHBondContact O-CG 3.35Å; Y439-L443 PolarHBondContact O-N 3.08Å
440I88.1Confident85.4Confident80 Ų8088.8 Ų88.841%0.4145%0.447SS..Hα-helixtrans-60.6-47.6175.3-69.9167.2000110.5T436 M442 L443 E444T436-I440 HydrophobicContact CG2-CD1 3.86Å; T436-I440 HydrophobicContact CG2-CG1 4.42Å; T436-I440 VanDerWaalsContact O-CG1 3.3Å; T436-I440 WeakPolarHBondContact O-CG1 3.44Å; T436-I440 PolarHBondContact O-N 2.87Å; I440-M442 VanDerWaalsContact C-N 3.26Å; I440-M442 PolarHBondContact O-N 3.36Å; I440-L443 PolarHBondContact O-N 2.92Å; I440-L443 VanDerWaalsContact O-N 3.09Å; I440-E444 HydrophobicContact CG2-CG 4.31Å; I440-E444 WeakPolarHBondContact O-CG 3.48Å; I440-E444 PolarHBondContact O-N 2.64Å
441N87.7Confident83.4Confident76 Ų7684.8 Ų84.841%0.40643%0.433SS..Hα-helixtrans-58.4-39176.4-172.51.7000111.8R437 A438 K445R437-N441 PolarHBondContact O-N 2.79Å; R437-N441 VanDerWaalsContact O-N 3.16Å; A438-N441 PolarHBondContact O-N 3.49Å; N441-K445 WeakPolarHBondContact O-CB 3.4Å; N441-K445 WeakPolarHBondContact O-CG 3.41Å; N441-K445 PolarHBondContact O-N 3.37Å; N441-K445 VanDerWaalsContact OD1-CE 3.24Å; N441-K445 WeakPolarHBondContact OD1-CE 3.35Å
442M84.8Confident81.5Confident63 Ų6384.4 Ų84.431%0.3143%0.428SS..Hα-helixtrans-66.3-37.8175.8-170-171.1174.600112.9A438 Y439 I440 K446 M447 N448A438-M442 WeakPolarHBondContact O-CB 3.5Å; A438-M442 PolarHBondContact O-N 3.03Å; Y439-M442 WeakPolarHBondContact O-CB 3.1Å; Y439-M442 PolarHBondContact O-N 3.25Å; I440-M442 VanDerWaalsContact C-N 3.26Å; I440-M442 PolarHBondContact O-N 3.36Å; M442-K446 PolarHBondContact O-N 2.77Å; M442-K446 VanDerWaalsContact O-N 3.08Å; M442-M447 WeakPolarHBondContact CE-O 3.19Å; M442-M447 HydrophobicContact CG-CB 3.96Å; M442-M447 PolarHBondContact O-N 3.39Å; M442-N448 HydrophobicContact CE-CB 3.67Å; M442-N448 WeakPolarHBondContact CE-OD1 3.45Å; M442-N448 HydrophobicContact CG-CB 4.5Å; M442-N448 HydrophobicContact SD-CB 4.44Å
443L82.4Confident79.3Confident47 Ų4781.7 Ų81.725%0.24643%0.433CS..Hα-helixtrans-70.4-42.7175.3-69.1174.5000112Y439 I440 K445 K446Y439-L443 HydrophobicContact CD1-CD1 3.79Å; Y439-L443 HydrophobicContact CD1-CG 4.28Å; Y439-L443 HydrophobicContact CE1-CD1 3.42Å; Y439-L443 VanDerWaalsContact CE1-CD1 3.42Å; Y439-L443 HydrophobicContact CE1-CD2 4.32Å; Y439-L443 HydrophobicContact CE1-CG 3.98Å; Y439-L443 WeakPolarHBondContact O-CG 3.35Å; Y439-L443 PolarHBondContact O-N 3.08Å; I440-L443 PolarHBondContact O-N 2.92Å; I440-L443 VanDerWaalsContact O-N 3.09Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 2.85Å; L443-K446 WeakPolarHBondContact O-CG 3.38Å; L443-K446 PolarHBondContact O-N 3.06Å
444E83.8Confident77.1Confident149 Ų14981.4 Ų81.470%0.69643%0.434SS*.Hα-helixtrans-61-40.5176-73.8176.1170.300111.4I440 K446I440-E444 HydrophobicContact CG2-CG 4.31Å; I440-E444 WeakPolarHBondContact O-CG 3.48Å; I440-E444 PolarHBondContact O-N 2.64Å; E444-K446 VanDerWaalsContact C-N 3.27Å; E444-K446 PolarHBondContact O-N 3.28Å
445K81.4Confident74.7Confident120 Ų12085.5 Ų85.552%0.52245%0.45SS..THydrogen-bonded Turntrans-78.8-5.9174.1-67.8-177.2176.3-1720114.1N441 L443 M447 T554N441-K445 WeakPolarHBondContact O-CB 3.4Å; N441-K445 WeakPolarHBondContact O-CG 3.41Å; N441-K445 PolarHBondContact O-N 3.37Å; N441-K445 VanDerWaalsContact OD1-CE 3.24Å; N441-K445 WeakPolarHBondContact OD1-CE 3.35Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 2.85Å; K445-M447 HydrophobicContact CB-CG 3.71Å; K445-M447 HydrophobicContact CB-SD 3.92Å; K445-M447 HydrophobicContact CD-SD 3.89Å; K445-M447 PolarHBondContact O-N 2.72Å; K445-T554 PolarHBondContact O-OG1 3.39Å
446K77.9Confident72.3Confident48 Ų4885.3 Ų85.321%0.20946%0.464CS..THydrogen-bonded Turntrans53.334.2-175.8-56.5-165.9-175.3-167.30114.9M442 L443 E444 N448 E550 P551 T554M442-K446 PolarHBondContact O-N 2.77Å; M442-K446 VanDerWaalsContact O-N 3.08Å; L443-K446 WeakPolarHBondContact O-CG 3.38Å; L443-K446 PolarHBondContact O-N 3.06Å; E444-K446 VanDerWaalsContact C-N 3.27Å; E444-K446 PolarHBondContact O-N 3.28Å; K446-N448 PolarHBondContact O-N 3.49Å; K446-E550 VanDerWaalsContact NZ-CB 3.26Å; K446-E550 IonicContact NZ-OE2 2.9Å; K446-E550 PolarHBondContact NZ-OE2 2.97Å; K446-P551 HydrophobicContact CD-CG 4.21Å; K446-P551 WeakPolarHBondContact CD-O 3.41Å; K446-P551 WeakPolarHBondContact CE-O 3.41Å; K446-P551 PolarHBondContact NZ-O 3.42Å; K446-T554 VanDerWaalsContact C-OG1 3.28Å; K446-T554 HydrophobicContact CB-CG2 4.45Å; K446-T554 PolarHBondContact O-N 3.49Å; K446-T554 PolarHBondContact O-OG1 2.78Å
447M76.1Confident70.2Confident76 Ų7685 Ų8537%0.37447%0.465SS..  trans-79.98.7-177.7-63178.576.700113.7M442 K445 T554M442-M447 WeakPolarHBondContact CE-O 3.19Å; M442-M447 HydrophobicContact CG-CB 3.96Å; M442-M447 PolarHBondContact O-N 3.39Å; K445-M447 HydrophobicContact CB-CG 3.71Å; K445-M447 HydrophobicContact CB-SD 3.92Å; K445-M447 HydrophobicContact CD-SD 3.89Å; K445-M447 PolarHBondContact O-N 2.72Å; M447-T554 WeakPolarHBondContact CA-O 3.49Å
448N67.4Low68.2Low26 Ų2683.4 Ų83.414%0.13947%0.469CS..  trans-106.6130.2-168-143.5-1.6000111.1M442 K446 V450M442-N448 HydrophobicContact CE-CB 3.67Å; M442-N448 WeakPolarHBondContact CE-OD1 3.45Å; M442-N448 HydrophobicContact CG-CB 4.5Å; M442-N448 HydrophobicContact SD-CB 4.44Å; K446-N448 PolarHBondContact O-N 3.49Å; N448-V450 PolarHBondContact O-N 3.44Å
449P59.4Low66.6Low61 Ų6183.9 Ų83.940%0.39646%0.462SS..  trans-729.717229.8-36.1000113.6
450V57.1Low65.3Low84 Ų8480.7 Ų80.751%0.50945%0.451SS..SBendtrans-97.7117.9-173.4-173.30000109.9N448 Q452N448-V450 PolarHBondContact O-N 3.44Å; V450-Q452 PolarHBondContact O-N 2.77Å
451A54.7Low64.3Low28 Ų2880.1 Ų80.123%0.23145%0.447CS..PPolyproline II helixtrans-55.7131.5176.700000112.4M459 Q461A451-M459 WeakPolarHBondContact CB-O 3.47Å; A451-Q461 HydrophobicContact CB-CG 3.33Å
452Q56.5Low63.9Low95 Ų9576.8 Ų76.844%0.44443%0.428SS..PPolyproline II helixtrans-93.7141167.9-63.6-178.29.400109.3V450 V454 M459V450-Q452 PolarHBondContact O-N 2.77Å; Q452-V454 PolarHBondContact O-N 2.99Å; Q452-M459 VanDerWaalsContact O-CB 3.27Å; Q452-M459 WeakPolarHBondContact O-CB 3.43Å; Q452-M459 VanDerWaalsContact O-CG 3.29Å; Q452-M459 WeakPolarHBondContact O-CG 3.47Å
453S51.7Low63.8Low94 Ų9478 Ų7866%0.65744%0.436SS*.EExtended strand (participates in β ladder)trans-78.7111.5167.6148.20000108.1
454V51.2Low64.1Low70 Ų7076.7 Ų76.742%0.42443%0.429SS..EExtended strand (participates in β ladder)trans-106.1121.8163.5-175.10000107Q452 G456 S457 M459Q452-V454 PolarHBondContact O-N 2.99Å; V454-G456 PolarHBondContact O-N 3.42Å; V454-S457 PolarHBondContact O-N 2.97Å; V454-S457 PolarHBondContact O-OG 2.88Å; V454-M459 HydrophobicContact CB-SD 4.39Å; V454-M459 HydrophobicContact CG2-CG 4.42Å; V454-M459 HydrophobicContact CG2-SD 4.02Å
455N44.8Very low64.2Low161 Ų16172.1 Ų72.186%0.86141%0.414SS*.THydrogen-bonded Turntrans55.736.1174.3-59.9-18.2000116.7S457N455-S457 PolarHBondContact O-N 3.33Å
456G46.1Very low64.6Low76 Ų7667.9 Ų67.978%0.78440%0.401SS*.THydrogen-bonded Turntrans78.6-1.1173.200000115.6V454V454-G456 PolarHBondContact O-N 3.42Å
457S49.8Very low65.2Low74 Ų7470.7 Ų70.752%0.51742%0.415SS..EExtended strand (participates in β ladder)trans-98.7127.4167.554.50000110.1V454 N455 M459V454-S457 PolarHBondContact O-N 2.97Å; V454-S457 PolarHBondContact O-OG 2.88Å; N455-S457 PolarHBondContact O-N 3.33Å; S457-M459 PolarHBondContact O-N 2.85Å; S457-M459 VanDerWaalsContact O-N 3.12Å
458I52.2Low65.9Low150 Ų15069.3 Ų69.377%0.76941%0.409SS*.EExtended strand (participates in β ladder)trans-65.2110.9176.2-60168.7000107.1
459M57.9Low67.1Low69 Ų6971.9 Ų71.934%0.3442%0.422SS..PPolyproline II helixtrans-65142.3176-69.1-143.389.500110.3A451 Q452 V454 S457 Q461 L552A451-M459 WeakPolarHBondContact CB-O 3.47Å; Q452-M459 VanDerWaalsContact O-CB 3.27Å; Q452-M459 WeakPolarHBondContact O-CB 3.43Å; Q452-M459 VanDerWaalsContact O-CG 3.29Å; Q452-M459 WeakPolarHBondContact O-CG 3.47Å; V454-M459 HydrophobicContact CB-SD 4.39Å; V454-M459 HydrophobicContact CG2-CG 4.42Å; V454-M459 HydrophobicContact CG2-SD 4.02Å; S457-M459 PolarHBondContact O-N 2.85Å; S457-M459 VanDerWaalsContact O-N 3.12Å; M459-Q461 PolarHBondContact O-N 3.39Å; M459-L552 HydrophobicContact CE-CD2 3.48Å; M459-L552 VanDerWaalsContact CE-CD2 3.48Å; M459-L552 HydrophobicContact SD-CD2 3.75Å
460Q60.1Low68.4Low47 Ų4770.7 Ų70.722%0.2242%0.421CS..PPolyproline II helixtrans-52132.9-179.4-151.8112.141.700111F462 S485 Q487 P489 F492Q460-F462 HydrophobicContact CB-CE2 4.05Å; Q460-F462 HydrophobicContact CB-CZ 4.26Å; Q460-F462 HydrophobicContact CG-CE1 4.25Å; Q460-F462 HydrophobicContact CG-CE2 3.99Å; Q460-F462 HydrophobicContact CG-CZ 3.7Å; Q460-S485 PolarHBondContact NE2-OG 3.5Å; Q460-Q487 PolarHBondContact NE2-O 2.92Å; Q460-P489 VanDerWaalsContact CD-CA 3.44Å; Q460-P489 VanDerWaalsContact CD-CG 3.4Å; Q460-P489 HydrophobicContact CG-CB 3.76Å; Q460-P489 HydrophobicContact CG-CG 3.68Å; Q460-F492 HydrophobicContact CB-CE1 4.47Å; Q460-F492 HydrophobicContact CB-CZ 4Å; Q460-F492 HydrophobicContact CG-CE2 4.44Å; Q460-F492 HydrophobicContact CG-CZ 4.06Å
461Q67.8Low69.6Low69 Ų6973.9 Ų73.932%0.32243%0.428SS..PPolyproline II helixtrans-99.6132.3178-68.3175.3-4.900109.6A451 M459 A483 T484A451-Q461 HydrophobicContact CB-CG 3.33Å; M459-Q461 PolarHBondContact O-N 3.39Å; Q461-A483 CarbonylContact O-C 3.48Å; Q461-A483 WeakPolarHBondContact O-CA 3.48Å; Q461-T484 WeakPolarHBondContact CB-OG1 3.45Å; Q461-T484 PolarHBondContact O-N 3.42Å; Q461-T484 PolarHBondContact OE1-OG1 3.21Å
462F77.9Confident70.8Confident5 Ų573.7 Ų73.72%0.02243%0.429CS..EExtended strand (participates in β ladder)trans-121.3134.4170.4-60.7-72.6000109.5Q460 L481 T482 A483 P489 F492 L515 I543 Q553Q460-F462 HydrophobicContact CB-CE2 4.05Å; Q460-F462 HydrophobicContact CB-CZ 4.26Å; Q460-F462 HydrophobicContact CG-CE1 4.25Å; Q460-F462 HydrophobicContact CG-CE2 3.99Å; Q460-F462 HydrophobicContact CG-CZ 3.7Å; F462-L481 HydrophobicContact CB-CD1 3.74Å; F462-L481 HydrophobicContact CB-CG 4.47Å; F462-L481 HydrophobicContact CD1-CD1 4Å; F462-L481 HydrophobicContact CD1-CD2 3.92Å; F462-L481 HydrophobicContact CD1-CG 3.92Å; F462-L481 HydrophobicContact CE1-CD2 4.19Å; F462-L481 HydrophobicContact CG-CD1 4.04Å; F462-L481 HydrophobicContact CG-CG 4.47Å; F462-T482 WeakPolarHBondContact CA-O 3.27Å; F462-A483 HydrophobicContact CD1-CB 4.16Å; F462-A483 HydrophobicContact CE1-CB 4.07Å; F462-P489 HydrophobicContact CE1-CB 3.99Å; F462-P489 HydrophobicContact CE1-CG 3.67Å; F462-P489 HydrophobicContact CZ-CB 3.82Å; F462-P489 HydrophobicContact CZ-CG 3.97Å; F462-F492 AromaticContact CE2-CD1 3.78Å; F462-F492 HydrophobicContact CE2-CD1 3.78Å; F462-F492 AromaticContact CE2-CE1 3.75Å; F462-F492 HydrophobicContact CE2-CE1 3.75Å; F462-F492 HydrophobicContact CE2-CG 4.25Å; F462-F492 HydrophobicContact CE2-CZ 4.21Å; F462-F492 AromaticContact CZ-CD1 3.83Å; F462-F492 HydrophobicContact CZ-CD1 3.83Å; F462-F492 AromaticContact CZ-CD2 3.9Å; F462-F492 HydrophobicContact CZ-CD2 3.9Å; F462-F492 AromaticContact CZ-CE1 3.89Å; F462-F492 HydrophobicContact CZ-CE1 3.89Å; F462-F492 HydrophobicContact CZ-CE2 4.02Å; F462-F492 AromaticContact CZ-CG 3.82Å; F462-F492 HydrophobicContact CZ-CG 3.82Å; F462-F492 AromaticContact CZ-CZ 3.99Å; F462-F492 HydrophobicContact CZ-CZ 3.99Å; F462-L515 HydrophobicContact CD1-CD1 4.24Å; F462-L515 HydrophobicContact CE1-CD1 3.5Å; F462-L515 VanDerWaalsContact CE1-CD1 3.5Å; F462-L515 HydrophobicContact CZ-CD1 4.33Å; F462-I543 HydrophobicContact CB-CD1 3.99Å; F462-I543 HydrophobicContact CD2-CD1 4.17Å; F462-I543 HydrophobicContact CD2-CG2 4.28Å; F462-I543 HydrophobicContact CE2-CG2 4.18Å; F462-I543 HydrophobicContact CG-CD1 4.16Å; F462-Q553 PolarHBondContact O-OE1 3.06Å
463N84.7Confident72.1Confident88 Ų8873 Ų7347%0.47143%0.433SS..EExtended strand (participates in β ladder)trans-93.4113.6158-166.5-14.8000106.5L481 T482N463-L481 WeakPolarHBondContact O-CA 3.36Å; N463-T482 WeakPolarHBondContact CB-OG1 3.42Å; N463-T482 PolarHBondContact N-O 2.93Å; N463-T482 PolarHBondContact O-N 2.97Å
464L86.7Confident73.9Confident20 Ų2074 Ų7411%0.10542%0.422CS..EExtended strand (participates in β ladder)trans-106.4122.8176.4178.4145000107.9I479 H480 L481 I541 I543 A555L464-I479 HydrophobicContact CD1-CG2 4.26Å; L464-I479 HydrophobicContact CG-CG2 4.36Å; L464-H480 WeakPolarHBondContact CA-O 3.29Å; L464-L481 HydrophobicContact CB-CD1 4.1Å; L464-L481 HydrophobicContact CD1-CD1 4.27Å; L464-I541 HydrophobicContact CD1-CG2 3.96Å; L464-I543 HydrophobicContact CB-CD1 4.34Å; L464-I543 HydrophobicContact CD1-CD1 3.68Å; L464-I543 HydrophobicContact CD1-CG1 3.9Å; L464-A555 HydrophobicContact CD2-CB 3.52Å
465S87.9Confident75.8Confident54 Ų5470.8 Ų70.838%0.37840%0.403SS..EExtended strand (participates in β ladder)trans-123.5143.1164.770.90000108.7H480S465-H480 PolarHBondContact N-O 2.78Å; S465-H480 PolarHBondContact O-N 3.03Å; S465-H480 WeakPolarHBondContact OG-CB 3.44Å
466A88.9Confident78.1Confident31 Ų3163.8 Ų63.826%0.25637%0.366SS..EExtended strand (participates in β ladder)trans-135.9138.4-178.300000109.2L477 E478 I479 I541 I557A466-L477 HydrophobicContact CB-CD1 4.38Å; A466-E478 CarbonylContact C-O 3.53Å; A466-E478 VanDerWaalsContact CA-O 3.24Å; A466-E478 WeakPolarHBondContact CA-O 3.25Å; A466-I479 HydrophobicContact CB-CG1 4.27Å; A466-I541 HydrophobicContact CB-CD1 3.54Å; A466-I557 HydrophobicContact CB-CD1 3.52Å
467Q91.2Very high80.4Confident107 Ų10760.2 Ų60.250%0.533%0.329SS..EExtended strand (participates in β ladder)trans-127.4136.4-176.8-62.4-172.610.200108.7E478Q467-E478 PolarHBondContact N-O 3.23Å; Q467-E478 PolarHBondContact O-N 3.42Å
468L90.7Very high82.5Confident46 Ų4658.9 Ų58.924%0.24132%0.315CS..EExtended strand (participates in β ladder)trans-106.5127.3177.4-169.177.9000109.1F475 L477 L527 M559 P560L468-F475 HydrophobicContact CD1-CB 3.69Å; L468-F475 HydrophobicContact CD1-CG 4.33Å; L468-F475 HydrophobicContact CD2-CB 4.45Å; L468-F475 HydrophobicContact CD2-CD1 3.84Å; L468-F475 HydrophobicContact CD2-CE1 4.32Å; L468-F475 HydrophobicContact CD2-CG 4.21Å; L468-F475 HydrophobicContact CG-CB 4.09Å; L468-F475 HydrophobicContact CG-CD1 4.05Å; L468-F475 HydrophobicContact CG-CG 4.33Å; L468-L477 HydrophobicContact CD1-CB 4.22Å; L468-L477 HydrophobicContact CD1-CD1 4.11Å; L468-L527 HydrophobicContact CD1-CD2 3.96Å; L468-M559 HydrophobicContact CD1-CE 3.84Å; L468-M559 HydrophobicContact CD1-SD 4.23Å; L468-M559 HydrophobicContact CD2-CE 3.5Å; L468-M559 HydrophobicContact CD2-SD 3.93Å; L468-M559 HydrophobicContact CG-CE 4.33Å; L468-P560 HydrophobicContact CD2-CG 3.57Å
469I91.1Very high84.3Confident80 Ų8051.8 Ų51.841%0.4128%0.278SS..EExtended strand (participates in β ladder)trans-121.7126.9-177.4-55.9176.1000109.1F475 C476 E478I469-F475 WeakPolarHBondContact O-CA 3.17Å; I469-C476 HydrophobicContact CB-CB 4.28Å; I469-C476 PolarHBondContact N-O 3Å; I469-C476 PolarHBondContact O-N 2.98Å; I469-E478 HydrophobicContact CD1-CG 4Å; I469-E478 WeakPolarHBondContact CD1-OE1 3.29Å
470G86.5Confident85.9Confident37 Ų3751 Ų5138%0.38127%0.274SS..  trans131.2165176.900000112.4F475G470-F475 WeakPolarHBondContact O-CD1 3.34Å; G470-F475 WeakPolarHBondContact O-CE1 3.28Å
471F83.3Confident87.3Confident150 Ų15048.8 Ų48.866%0.65826%0.264SS*.SBendtrans-109.91.3177.9-61.1-82.6000112.6E563F471-E563 WeakPolarHBondContact CD1-OE2 3.4Å; F471-E563 PolarHBondContact O-N 3.01Å
472G79.4Confident88.2Confident25 Ų2547.1 Ų47.126%0.25826%0.258SS..SBendtrans93.1170.5-176.100000113.6
473P84.2Confident88.5Confident80 Ų8046.9 Ų46.952%0.51926%0.257SS..SBendcis-73.2-8.5-6.532-35.6000113T528 V529P473-T528 CarbonylContact O-C 3.57Å; P473-T528 WeakPolarHBondContact O-CA 3.47Å; P473-V529 PolarHBondContact O-N 3.47Å
474R90.4Very high88.2Confident115 Ų11545.1 Ų45.143%0.43425%0.249SC..EExtended strand (participates in β ladder)trans-109126.4176.8-173.2172.9170.9101.4-3110.1D506 Y526 L527R474-D506 IonicContact CZ-OD1 3.97Å; R474-D506 IonicContact CZ-OD2 3.43Å; R474-D506 IonicContact NH1-OD1 2.69Å; R474-D506 PolarHBondContact NH1-OD1 3.47Å; R474-D506 IonicContact NH1-OD2 2.94Å; R474-D506 PolarHBondContact NH1-OD2 3.2Å; R474-D506 IonicContact NH2-OD1 3.92Å; R474-D506 IonicContact NH2-OD2 2.68Å; R474-D506 PolarHBondContact NH2-OD2 3.47Å; R474-Y526 VanDerWaalsContact NH2-CB 3.31Å; R474-Y526 VanDerWaalsContact NH2-CG 3.33Å; R474-L527 CarbonylContact C-O 3.59Å; R474-L527 WeakPolarHBondContact CA-O 3.29Å
475F90.8Very high87.6Confident2 Ų245 Ų451%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-113.9147.4176.9-60.8-92.8000110.4L468 I469 G470 Y526 L527 V529 M559 P560 V562L468-F475 HydrophobicContact CD1-CB 3.69Å; L468-F475 HydrophobicContact CD1-CG 4.33Å; L468-F475 HydrophobicContact CD2-CB 4.45Å; L468-F475 HydrophobicContact CD2-CD1 3.84Å; L468-F475 HydrophobicContact CD2-CE1 4.32Å; L468-F475 HydrophobicContact CD2-CG 4.21Å; L468-F475 HydrophobicContact CG-CB 4.09Å; L468-F475 HydrophobicContact CG-CD1 4.05Å; L468-F475 HydrophobicContact CG-CG 4.33Å; I469-F475 WeakPolarHBondContact O-CA 3.17Å; G470-F475 WeakPolarHBondContact O-CD1 3.34Å; G470-F475 WeakPolarHBondContact O-CE1 3.28Å; F475-Y526 WeakPolarHBondContact O-CA 3.3Å; F475-L527 HydrophobicContact CB-CD1 4.13Å; F475-L527 HydrophobicContact CB-CG 4.09Å; F475-L527 HydrophobicContact CD2-CD1 3.97Å; F475-L527 HydrophobicContact CG-CD1 4.47Å; F475-L527 PolarHBondContact N-O 2.9Å; F475-L527 PolarHBondContact O-N 3.3Å; F475-V529 HydrophobicContact CD2-CG2 4.08Å; F475-V529 HydrophobicContact CE2-CG2 3.68Å; F475-M559 HydrophobicContact CD2-CE 4.28Å; F475-M559 HydrophobicContact CG-CE 4.47Å; F475-P560 HydrophobicContact CD1-CG 4.43Å; F475-P560 HydrophobicContact CE1-CG 3.68Å; F475-P560 HydrophobicContact CZ-CG 4Å; F475-V562 HydrophobicContact CE2-CG2 4.26Å
476C93.4Very high86.8Confident15 Ų1553.5 Ų53.510%0.10128%0.276CS..EExtended strand (participates in β ladder)trans-95.9125.2166.9-170.90000108.4I469 Y526I469-C476 HydrophobicContact CB-CB 4.28Å; I469-C476 PolarHBondContact N-O 3Å; I469-C476 PolarHBondContact O-N 2.98Å; C476-Y526 HydrophobicContact CB-CD1 3.94Å; C476-Y526 HydrophobicContact CB-CE1 3.7Å
477L93Very high86Confident1 Ų159.6 Ų59.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-103.7105.8173.5179.665.1000108.4A466 L468 I479 F496 F505 Q524 T525 L527 I541 I557A466-L477 HydrophobicContact CB-CD1 4.38Å; L468-L477 HydrophobicContact CD1-CB 4.22Å; L468-L477 HydrophobicContact CD1-CD1 4.11Å; L477-I479 HydrophobicContact CD2-CD1 4.43Å; L477-I479 HydrophobicContact CG-CD1 4.45Å; L477-I479 HydrophobicContact CG-CG1 4.25Å; L477-F496 HydrophobicContact CD2-CD1 3.85Å; L477-F496 HydrophobicContact CD2-CE1 3.55Å; L477-F496 HydrophobicContact CD2-CZ 4.39Å; L477-F505 HydrophobicContact CD2-CE1 4.1Å; L477-Q524 VanDerWaalsContact O-CA 3.32Å; L477-Q524 WeakPolarHBondContact O-CA 3.32Å; L477-T525 HydrophobicContact CB-CG2 3.94Å; L477-T525 HydrophobicContact CD2-CG2 4Å; L477-T525 HydrophobicContact CG-CG2 4.36Å; L477-T525 PolarHBondContact N-O 3.3Å; L477-T525 PolarHBondContact O-N 3.06Å; L477-L527 HydrophobicContact CB-CD2 4.19Å; L477-I541 HydrophobicContact CD1-CD1 4.47Å; L477-I541 HydrophobicContact CD2-CD1 4.15Å; L477-I557 HydrophobicContact CD1-CD1 3.52Å
478E93.5Very high85.1Confident46 Ų4656.4 Ų56.422%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-90.7134.1174.8-69.3-171.1173.400110.1A466 Q467 I469 H522A466-E478 CarbonylContact C-O 3.53Å; A466-E478 VanDerWaalsContact CA-O 3.24Å; A466-E478 WeakPolarHBondContact CA-O 3.25Å; Q467-E478 PolarHBondContact N-O 3.23Å; Q467-E478 PolarHBondContact O-N 3.42Å; I469-E478 HydrophobicContact CD1-CG 4Å; I469-E478 WeakPolarHBondContact CD1-OE1 3.29Å; E478-H522 IonicContact OE2-NE2 3.54Å
479I91.5Very high84.2Confident0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-128.9123.2-176.5-56.6163.7000108.2L464 A466 L477 I494 F496 H522 C523 I541L464-I479 HydrophobicContact CD1-CG2 4.26Å; L464-I479 HydrophobicContact CG-CG2 4.36Å; A466-I479 HydrophobicContact CB-CG1 4.27Å; L477-I479 HydrophobicContact CD2-CD1 4.43Å; L477-I479 HydrophobicContact CG-CD1 4.45Å; L477-I479 HydrophobicContact CG-CG1 4.25Å; I479-I494 HydrophobicContact CD1-CG2 4.31Å; I479-I494 HydrophobicContact CG2-CD1 4.12Å; I479-F496 HydrophobicContact CD1-CE1 3.35Å; I479-F496 HydrophobicContact CD1-CZ 3.24Å; I479-H522 WeakPolarHBondContact O-CA 3.48Å; I479-C523 PolarHBondContact N-O 3.28Å; I479-C523 PolarHBondContact O-N 3.5Å; I479-I541 HydrophobicContact CG1-CD1 4.47Å
480H91.2Very high83.6Confident54 Ų5454.3 Ų54.325%0.2528%0.282CS..EExtended strand (participates in β ladder)trans-107.1123.8172.9-51.3-88.4000109.1L464 S465 H521 H522L464-H480 WeakPolarHBondContact CA-O 3.29Å; S465-H480 PolarHBondContact N-O 2.78Å; S465-H480 PolarHBondContact O-N 3.03Å; S465-H480 WeakPolarHBondContact OG-CB 3.44Å; H480-H521 WeakPolarHBondContact CA-O 3.49Å; H480-H522 AromaticContact CE1-CD2 3.46Å; H480-H522 PolarHBondContact CE1-CD2 3.42Å; H480-H522 VanDerWaalsContact CE1-CD2 3.46Å; H480-H522 AromaticContact ND1-CD2 3.65Å
481L88.7Confident83.4Confident0 Ų053.3 Ų53.30%027%0.271CS..EExtended strand (participates in β ladder)trans-122.7122.8-179-169.778.7000109F462 N463 L464 L512 L515 H521 I543F462-L481 HydrophobicContact CB-CD1 3.74Å; F462-L481 HydrophobicContact CB-CG 4.47Å; F462-L481 HydrophobicContact CD1-CD1 4Å; F462-L481 HydrophobicContact CD1-CD2 3.92Å; F462-L481 HydrophobicContact CD1-CG 3.92Å; F462-L481 HydrophobicContact CE1-CD2 4.19Å; F462-L481 HydrophobicContact CG-CD1 4.04Å; F462-L481 HydrophobicContact CG-CG 4.47Å; N463-L481 WeakPolarHBondContact O-CA 3.36Å; L464-L481 HydrophobicContact CB-CD1 4.1Å; L464-L481 HydrophobicContact CD1-CD1 4.27Å; L481-L512 HydrophobicContact CD2-CD1 3.46Å; L481-L512 VanDerWaalsContact CD2-CD1 3.46Å; L481-L512 HydrophobicContact CD2-CD2 3.71Å; L481-L512 HydrophobicContact CD2-CG 4.22Å; L481-L515 HydrophobicContact CD2-CD1 3.48Å; L481-L515 VanDerWaalsContact CD2-CD1 3.48Å; L481-L515 HydrophobicContact CD2-CD2 4.4Å; L481-H521 PolarHBondContact N-O 3.01Å; L481-H521 PolarHBondContact O-N 2.98Å; L481-I543 HydrophobicContact CD1-CD1 3.49Å; L481-I543 VanDerWaalsContact CD1-CD1 3.49Å
482T88.2Confident83.6Confident34 Ų3446.5 Ų46.521%0.20924%0.241CC..EExtended strand (participates in β ladder)trans-118.3122169.661.70000109.6F462 N463 T484 P520F462-T482 WeakPolarHBondContact CA-O 3.27Å; N463-T482 WeakPolarHBondContact CB-OG1 3.42Å; N463-T482 PolarHBondContact N-O 2.93Å; N463-T482 PolarHBondContact O-N 2.97Å; T482-T484 PolarHBondContact O-N 2.65Å; T482-P520 HydrophobicContact CG2-CB 3.74Å
483A83.3Confident84.1Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-74.9118.7170.500000109.5Q461 F462 P489 L515 N518Q461-A483 CarbonylContact O-C 3.48Å; Q461-A483 WeakPolarHBondContact O-CA 3.48Å; F462-A483 HydrophobicContact CD1-CB 4.16Å; F462-A483 HydrophobicContact CE1-CB 4.07Å; A483-P489 HydrophobicContact CB-CG 3.43Å; A483-P489 VanDerWaalsContact CB-CG 3.43Å; A483-L515 HydrophobicContact CB-CB 4.32Å; A483-N518 WeakPolarHBondContact O-CA 3.46Å; A483-N518 PolarHBondContact O-N 3.43Å
484T79.4Confident84.4Confident50 Ų5043.1 Ų43.131%0.30721%0.213SC..  trans-95.88.3178.159.50000112.7Q461 T482Q461-T484 WeakPolarHBondContact CB-OG1 3.45Å; Q461-T484 PolarHBondContact O-N 3.42Å; Q461-T484 PolarHBondContact OE1-OG1 3.21Å; T482-T484 PolarHBondContact O-N 2.65Å
485S73.3Confident84.5Confident19 Ų1939 Ų3913%0.13320%0.2CC..SBendtrans-80.2149.3173.856.90000112.6Q460 Q487 P517Q460-S485 PolarHBondContact NE2-OG 3.5Å; S485-Q487 VanDerWaalsContact C-N 3.31Å; S485-Q487 PolarHBondContact O-N 2.84Å; S485-Q487 PolarHBondContact OG-O 2.83Å; S485-P517 VanDerWaalsContact O-CB 3.31Å; S485-P517 WeakPolarHBondContact O-CB 3.35Å
486Y70.9Confident84.6Confident231 Ų23139.2 Ų39.291%0.90620%0.201SC*.SBendtrans-68.3-27.8173.8-73.7-80.8000113.8
487Q72.3Confident84.5Confident159 Ų15943.1 Ų43.174%0.74322%0.22SC*.SBendtrans-95143175.7-67.8-178.5-13.200110.2Q460 S485 P489Q460-Q487 PolarHBondContact NE2-O 2.92Å; S485-Q487 VanDerWaalsContact C-N 3.31Å; S485-Q487 PolarHBondContact O-N 2.84Å; S485-Q487 PolarHBondContact OG-O 2.83Å; Q487-P489 VanDerWaalsContact O-CD 3.32Å; Q487-P489 WeakPolarHBondContact O-CD 3.08Å
488S71.2Confident84.4Confident40 Ų4045.2 Ų45.228%0.2823%0.23SC..PPolyproline II helixtrans-70.4118.6178.3-60.90000111.3F514 L515 P517S488-F514 WeakPolarHBondContact OG-CZ 3.43Å; S488-L515 WeakPolarHBondContact CA-O 3.44Å; S488-L515 VanDerWaalsContact CB-O 3.24Å; S488-L515 WeakPolarHBondContact CB-O 3.34Å; S488-P517 WeakPolarHBondContact OG-CD 3.41Å
489P71.7Confident84.2Confident0 Ų046.6 Ų46.60%024%0.239CC..PPolyproline II helixtrans-63.8137.2174.8-6.512000112.4Q460 F462 A483 Q487 F492 L515Q460-P489 VanDerWaalsContact CD-CA 3.44Å; Q460-P489 VanDerWaalsContact CD-CG 3.4Å; Q460-P489 HydrophobicContact CG-CB 3.76Å; Q460-P489 HydrophobicContact CG-CG 3.68Å; F462-P489 HydrophobicContact CE1-CB 3.99Å; F462-P489 HydrophobicContact CE1-CG 3.67Å; F462-P489 HydrophobicContact CZ-CB 3.82Å; F462-P489 HydrophobicContact CZ-CG 3.97Å; A483-P489 HydrophobicContact CB-CG 3.43Å; A483-P489 VanDerWaalsContact CB-CG 3.43Å; Q487-P489 VanDerWaalsContact O-CD 3.32Å; Q487-P489 WeakPolarHBondContact O-CD 3.08Å; P489-F492 HydrophobicContact CB-CD2 3.54Å; P489-F492 HydrophobicContact CB-CE2 3.2Å; P489-F492 HydrophobicContact CB-CZ 4.11Å; P489-L515 HydrophobicContact CB-CB 4.28Å; P489-L515 HydrophobicContact CB-CD1 4.3Å; P489-L515 VanDerWaalsContact CD-O 3.28Å; P489-L515 WeakPolarHBondContact CD-O 3.09Å; P489-L515 HydrophobicContact CG-CB 3.75Å; P489-L515 HydrophobicContact CG-CD1 4.11Å; P489-L515 PolarHBondContact O-N 3.31Å
490T79.4Confident84Confident83 Ų8351.1 Ų51.151%0.50927%0.268SS..  trans-131.6151.8166.453.50000111.1F492 F514T490-F492 WeakPolarHBondContact O-CD2 3.47Å; T490-F492 WeakPolarHBondContact O-CE2 3.23Å; T490-F514 HydrophobicContact CG2-CD2 3.41Å; T490-F514 VanDerWaalsContact CG2-CD2 3.41Å; T490-F514 HydrophobicContact CG2-CE2 4.03Å; T490-F514 HydrophobicContact CG2-CG 4.41Å
491G82.4Confident83.8Confident15 Ų1551.4 Ų51.416%0.15528%0.28CS..SBendtrans77.640.4173.200000113.5H545 E546G491-H545 CarbonylContact O-C 3.58Å; G491-H545 WeakPolarHBondContact O-CA 3.43Å; G491-H545 PolarHBondContact O-CD2 3.07Å; G491-E546 WeakPolarHBondContact CA-OE1 3.42Å; G491-E546 WeakPolarHBondContact O-CG 3.35Å; G491-E546 PolarHBondContact O-N 3.27Å
492F86.7Confident83.7Confident7 Ų752.2 Ų52.23%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-112.3150.2176.6-62.7-87.6000110.8Q460 F462 P489 T490 L512 I543 H544 H545 L552Q460-F492 HydrophobicContact CB-CE1 4.47Å; Q460-F492 HydrophobicContact CB-CZ 4Å; Q460-F492 HydrophobicContact CG-CE2 4.44Å; Q460-F492 HydrophobicContact CG-CZ 4.06Å; F462-F492 AromaticContact CE2-CD1 3.78Å; F462-F492 HydrophobicContact CE2-CD1 3.78Å; F462-F492 AromaticContact CE2-CE1 3.75Å; F462-F492 HydrophobicContact CE2-CE1 3.75Å; F462-F492 HydrophobicContact CE2-CG 4.25Å; F462-F492 HydrophobicContact CE2-CZ 4.21Å; F462-F492 AromaticContact CZ-CD1 3.83Å; F462-F492 HydrophobicContact CZ-CD1 3.83Å; F462-F492 AromaticContact CZ-CD2 3.9Å; F462-F492 HydrophobicContact CZ-CD2 3.9Å; F462-F492 AromaticContact CZ-CE1 3.89Å; F462-F492 HydrophobicContact CZ-CE1 3.89Å; F462-F492 HydrophobicContact CZ-CE2 4.02Å; F462-F492 AromaticContact CZ-CG 3.82Å; F462-F492 HydrophobicContact CZ-CG 3.82Å; F462-F492 AromaticContact CZ-CZ 3.99Å; F462-F492 HydrophobicContact CZ-CZ 3.99Å; P489-F492 HydrophobicContact CB-CD2 3.54Å; P489-F492 HydrophobicContact CB-CE2 3.2Å; P489-F492 HydrophobicContact CB-CZ 4.11Å; T490-F492 WeakPolarHBondContact O-CD2 3.47Å; T490-F492 WeakPolarHBondContact O-CE2 3.23Å; F492-L512 HydrophobicContact CB-CB 4.22Å; F492-L512 HydrophobicContact CB-CD1 3.71Å; F492-L512 WeakPolarHBondContact O-CB 3.26Å; F492-L512 PolarHBondContact O-N 2.91Å; F492-I543 HydrophobicContact CB-CG2 4.46Å; F492-I543 HydrophobicContact CD1-CG2 4.25Å; F492-H544 CarbonylContact C-O 3.37Å; F492-H544 VanDerWaalsContact CA-O 3.25Å; F492-H544 WeakPolarHBondContact CA-O 3.42Å; F492-H545 HydrophobicContact CD1-CB 4.17Å; F492-H545 HydrophobicContact CE1-CB 4.03Å; F492-H545 AromaticContact CE1-CD2 3.78Å; F492-H545 AromaticContact CZ-CD2 3.74Å; F492-L552 HydrophobicContact CD1-CD1 3.67Å; F492-L552 HydrophobicContact CE1-CD1 3.33Å
493L90.6Very high83.8Confident35 Ų3550.9 Ų50.918%0.18328%0.275CS..EExtended strand (participates in β ladder)trans-138.2139.7178.337.5114.9000110.6V495 V509 I510 I543 H544 E546L493-V495 HydrophobicContact CD1-CG2 3.79Å; L493-V509 HydrophobicContact CB-CG1 4.25Å; L493-I510 CarbonylContact C-O 3.55Å; L493-I510 WeakPolarHBondContact CA-O 3.32Å; L493-I543 WeakPolarHBondContact O-CA 3.48Å; L493-H544 HydrophobicContact CD1-CB 3.75Å; L493-H544 HydrophobicContact CG-CB 4.24Å; L493-H544 PolarHBondContact N-O 2.83Å; L493-H544 PolarHBondContact O-N 3.44Å; L493-E546 HydrophobicContact CD2-CB 4.33Å; L493-E546 HydrophobicContact CD2-CG 3.47Å; L493-E546 VanDerWaalsContact CD2-CG 3.47Å
494I91.1Very high84.1Confident0 Ų057.3 Ų57.30%030%0.304CS..EExtended strand (participates in β ladder)trans-94.8125.7172.4-59.9176.9000107.7I479 F496 V509 I510 L512 I541 S542 I543I479-I494 HydrophobicContact CD1-CG2 4.31Å; I479-I494 HydrophobicContact CG2-CD1 4.12Å; I494-F496 HydrophobicContact CG2-CE1 3.89Å; I494-F496 HydrophobicContact CG2-CE2 4.13Å; I494-F496 HydrophobicContact CG2-CZ 3.6Å; I494-V509 CarbonylContact O-C 3.59Å; I494-V509 VanDerWaalsContact O-CA 3.31Å; I494-V509 WeakPolarHBondContact O-CA 3.23Å; I494-I510 HydrophobicContact CB-CB 4.37Å; I494-I510 PolarHBondContact N-O 3.39Å; I494-I510 PolarHBondContact O-N 3.04Å; I494-L512 HydrophobicContact CD1-CD1 4.2Å; I494-L512 HydrophobicContact CD1-CD2 3.77Å; I494-L512 HydrophobicContact CD1-CG 4.18Å; I494-L512 HydrophobicContact CG1-CD1 3.8Å; I494-L512 HydrophobicContact CG1-CD2 4.17Å; I494-L512 HydrophobicContact CG1-CG 4Å; I494-I541 HydrophobicContact CG2-CG2 3.59Å; I494-S542 WeakPolarHBondContact CA-O 3.33Å; I494-I543 HydrophobicContact CG1-CG1 4.47Å
495V92.3Very high84.8Confident28 Ų2855.7 Ų55.717%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-115.7133.5177.7-177.90000109L493 L497 V509 S542L493-V495 HydrophobicContact CD1-CG2 3.79Å; V495-L497 HydrophobicContact CG1-CD2 4.2Å; V495-V509 HydrophobicContact CG2-CG1 4.44Å; V495-V509 HydrophobicContact CG2-CG2 4.4Å; V495-S542 PolarHBondContact N-O 3.07Å; V495-S542 PolarHBondContact O-N 3.24Å; V495-S542 PolarHBondContact O-OG 2.92Å
496F92.6Very high85.7Confident7 Ų758.9 Ų58.93%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-101.8109.9174.7-56.1-75000109.7L477 I479 I494 F505 K507 T508 I510 T525 I541L477-F496 HydrophobicContact CD2-CD1 3.85Å; L477-F496 HydrophobicContact CD2-CE1 3.55Å; L477-F496 HydrophobicContact CD2-CZ 4.39Å; I479-F496 HydrophobicContact CD1-CE1 3.35Å; I479-F496 HydrophobicContact CD1-CZ 3.24Å; I494-F496 HydrophobicContact CG2-CE1 3.89Å; I494-F496 HydrophobicContact CG2-CE2 4.13Å; I494-F496 HydrophobicContact CG2-CZ 3.6Å; F496-F505 HydrophobicContact CB-CD1 4.11Å; F496-F505 HydrophobicContact CB-CE1 3.92Å; F496-F505 HydrophobicContact CB-CZ 4.15Å; F496-F505 HydrophobicContact CD1-CE1 4.03Å; F496-F505 HydrophobicContact CD2-CD1 4.14Å; F496-F505 HydrophobicContact CD2-CE1 4.29Å; F496-F505 HydrophobicContact CG-CD1 4.04Å; F496-F505 AromaticContact CG-CE1 3.8Å; F496-F505 HydrophobicContact CG-CE1 3.8Å; F496-F505 HydrophobicContact CG-CZ 4.44Å; F496-K507 WeakPolarHBondContact CD2-O 3.36Å; F496-T508 WeakPolarHBondContact CD2-O 3.37Å; F496-T508 PolarHBondContact N-O 3.49Å; F496-I510 HydrophobicContact CE2-CD1 3.7Å; F496-I510 HydrophobicContact CE2-CG1 4.01Å; F496-I510 HydrophobicContact CZ-CD1 3.9Å; F496-T525 HydrophobicContact CD2-CG2 4.29Å; F496-T525 HydrophobicContact CE1-CG2 4.19Å; F496-T525 HydrophobicContact CE2-CG2 3.76Å; F496-T525 HydrophobicContact CZ-CG2 3.7Å; F496-I541 HydrophobicContact CD1-CG1 3.98Å; F496-I541 HydrophobicContact CD1-CG2 4.37Å; F496-I541 HydrophobicContact CE1-CD1 4.3Å; F496-I541 HydrophobicContact CE1-CG1 4.01Å; F496-I541 HydrophobicContact CE1-CG2 4Å
497L91.3Very high86.6Confident96 Ų9654.2 Ų54.250%0.50329%0.292SS..EExtended strand (participates in β ladder)trans-89.5120.1171.9-55.9172.1000108.6V495 V540V495-L497 HydrophobicContact CG1-CD2 4.2Å; L497-V540 HydrophobicContact CB-CB 4.16Å; L497-V540 HydrophobicContact CD1-CG1 4.42Å; L497-V540 PolarHBondContact N-O 3Å; L497-V540 PolarHBondContact O-N 3.38Å
498H90.3Very high87.5Confident46 Ų4649.9 Ų49.921%0.21328%0.277CS..  trans-146.2162-178.368.887000110.1P500 Y503 F505 V539H498-P500 WeakPolarHBondContact O-CD 3.41Å; H498-Y503 HydrophobicContact CB-CD2 4.31Å; H498-Y503 PolarHBondContact CE1-O 3.33Å; H498-Y503 PolarHBondContact ND1-O 2.99Å; H498-F505 HydrophobicContact CB-CD2 4.31Å; H498-F505 HydrophobicContact CB-CE2 3.8Å; H498-F505 AromaticContact CD2-CD2 3.25Å; H498-F505 WeakPolarHBondContact CD2-CD2 3.16Å; H498-F505 AromaticContact CD2-CE2 3.61Å; H498-F505 AromaticContact CG-CD2 3.67Å; H498-F505 AromaticContact CG-CE2 3.69Å; H498-F505 AromaticContact NE2-CD2 3.53Å; H498-V539 HydrophobicContact CB-CG2 4.33Å
499D89.6Confident88.5Confident74 Ų7451.4 Ų51.440%0.39628%0.284SS..  trans-77117168.8-170.1-28.7000109.6A501 I502 Y503D499-A501 PolarHBondContact O-N 3.46Å; D499-A501 VanDerWaalsContact OD1-CB 3.27Å; D499-A501 WeakPolarHBondContact OD1-CB 3.17Å; D499-A501 PolarHBondContact OD1-N 2.97Å; D499-I502 HydrophobicContact CB-CB 4.42Å; D499-I502 HydrophobicContact CB-CD1 3.7Å; D499-I502 HydrophobicContact CB-CG1 4.49Å; D499-I502 PolarHBondContact O-N 3.23Å; D499-I502 VanDerWaalsContact O-N 3.15Å; D499-I502 WeakPolarHBondContact OD2-CD1 3.09Å; D499-Y503 PolarHBondContact O-N 2.98Å
500P87.4Confident89.5Confident95 Ų9552.5 Ų52.562%0.61729%0.29SS*.THydrogen-bonded Turntrans-70-15-178.930.3-36.3000113.4H498 I502H498-P500 WeakPolarHBondContact O-CD 3.41Å; P500-I502 PolarHBondContact O-N 3.46Å
501A87.1Confident90Very high60 Ų6055.9 Ų55.950%0.49630%0.3SS..THydrogen-bonded Turntrans-75.1-15.9173.300000112.6D499 K531D499-A501 PolarHBondContact O-N 3.46Å; D499-A501 VanDerWaalsContact OD1-CB 3.27Å; D499-A501 WeakPolarHBondContact OD1-CB 3.17Å; D499-A501 PolarHBondContact OD1-N 2.97Å; A501-K531 WeakPolarHBondContact O-CB 3.38Å
502I86.7Confident90.3Very high18 Ų1855.8 Ų55.89%0.09230%0.295CS..THydrogen-bonded Turntrans-116.1-47.6-173.8-66.2145.9000111.3D499 P500 I530 Q533D499-I502 HydrophobicContact CB-CB 4.42Å; D499-I502 HydrophobicContact CB-CD1 3.7Å; D499-I502 HydrophobicContact CB-CG1 4.49Å; D499-I502 PolarHBondContact O-N 3.23Å; D499-I502 VanDerWaalsContact O-N 3.15Å; D499-I502 WeakPolarHBondContact OD2-CD1 3.09Å; P500-I502 PolarHBondContact O-N 3.46Å; I502-I530 PolarHBondContact O-N 3.21Å; I502-Q533 HydrophobicContact CG1-CG 4.42Å; I502-Q533 VanDerWaalsContact CG2-CD 3.41Å; I502-Q533 HydrophobicContact CG2-CG 3.84Å
503Y89.4Confident90.2Very high5 Ų558.7 Ų58.72%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-116.4137.5-174-57.8-67.7000111.4H498 D499 L527 V529 Q533 V539 M559H498-Y503 HydrophobicContact CB-CD2 4.31Å; H498-Y503 PolarHBondContact CE1-O 3.33Å; H498-Y503 PolarHBondContact ND1-O 2.99Å; D499-Y503 PolarHBondContact O-N 2.98Å; Y503-L527 HydrophobicContact CD1-CD1 3.92Å; Y503-L527 HydrophobicContact CE1-CD1 4.44Å; Y503-V529 HydrophobicContact CD1-CG2 4.01Å; Y503-V529 HydrophobicContact CE1-CG2 3.84Å; Y503-Q533 PolarHBondContact OH-OE1 3.28Å; Y503-V539 HydrophobicContact CD2-CG2 4.13Å; Y503-V539 HydrophobicContact CE2-CG2 4.19Å; Y503-M559 HydrophobicContact CE1-CB 4.26Å; Y503-M559 HydrophobicContact CE1-CE 4.31Å; Y503-M559 HydrophobicContact CE1-CG 4.11Å; Y503-M559 HydrophobicContact CE2-CG 4.2Å; Y503-M559 WeakPolarHBondContact OH-CB 3.46Å
504K91.5Very high90Very high136 Ų13663 Ų6359%0.59133%0.332SS*.EExtended strand (participates in β ladder)trans-114.2113.1169.1-175.2176178.8-177.70109.6L527 T528 I530K504-L527 CarbonylContact O-C 3.59Å; K504-L527 WeakPolarHBondContact O-CA 3.4Å; K504-T528 PolarHBondContact N-O 3.44Å; K504-T528 PolarHBondContact O-N 3.12Å; K504-I530 HydrophobicContact CB-CD1 3.66Å; K504-I530 HydrophobicContact CB-CG1 3.84Å
505F92.9Very high89.7Confident16 Ų1663.2 Ų63.27%0.0733%0.334CS..EExtended strand (participates in β ladder)trans-86.7140.4172.7-81.6-103.3000111.1L477 F496 H498 K507 T508 T525 L527 V539L477-F505 HydrophobicContact CD2-CE1 4.1Å; F496-F505 HydrophobicContact CB-CD1 4.11Å; F496-F505 HydrophobicContact CB-CE1 3.92Å; F496-F505 HydrophobicContact CB-CZ 4.15Å; F496-F505 HydrophobicContact CD1-CE1 4.03Å; F496-F505 HydrophobicContact CD2-CD1 4.14Å; F496-F505 HydrophobicContact CD2-CE1 4.29Å; F496-F505 HydrophobicContact CG-CD1 4.04Å; F496-F505 AromaticContact CG-CE1 3.8Å; F496-F505 HydrophobicContact CG-CE1 3.8Å; F496-F505 HydrophobicContact CG-CZ 4.44Å; H498-F505 HydrophobicContact CB-CD2 4.31Å; H498-F505 HydrophobicContact CB-CE2 3.8Å; H498-F505 AromaticContact CD2-CD2 3.25Å; H498-F505 WeakPolarHBondContact CD2-CD2 3.16Å; H498-F505 AromaticContact CD2-CE2 3.61Å; H498-F505 AromaticContact CG-CD2 3.67Å; H498-F505 AromaticContact CG-CE2 3.69Å; H498-F505 AromaticContact NE2-CD2 3.53Å; F505-K507 VanDerWaalsContact C-N 3.33Å; F505-T508 HydrophobicContact CB-CG2 3.83Å; F505-T525 HydrophobicContact CD1-CG2 3.84Å; F505-T525 HydrophobicContact CE1-CG2 3.87Å; F505-L527 HydrophobicContact CD1-CB 3.95Å; F505-L527 HydrophobicContact CD2-CB 4.02Å; F505-L527 HydrophobicContact CE1-CB 3.8Å; F505-L527 HydrophobicContact CE1-CD2 3.8Å; F505-L527 HydrophobicContact CE1-CG 4.45Å; F505-L527 HydrophobicContact CE2-CB 3.86Å; F505-L527 HydrophobicContact CE2-CD2 4.32Å; F505-L527 HydrophobicContact CG-CB 4.05Å; F505-L527 HydrophobicContact CZ-CB 3.74Å; F505-L527 HydrophobicContact CZ-CD2 3.55Å; F505-L527 HydrophobicContact CZ-CG 4.22Å; F505-V539 HydrophobicContact CE2-CG1 4.32Å; F505-V539 HydrophobicContact CE2-CG2 4.34Å; F505-V539 HydrophobicContact CZ-CG1 3.71Å; F505-V539 HydrophobicContact CZ-CG2 4.22Å
506D91.7Very high89.4Confident85 Ų8566.6 Ų66.646%0.45535%0.35SS..SBendtrans-67.6-37.8170.5-77.58.4000110.8R474 Y526R474-D506 IonicContact CZ-OD1 3.97Å; R474-D506 IonicContact CZ-OD2 3.43Å; R474-D506 IonicContact NH1-OD1 2.69Å; R474-D506 PolarHBondContact NH1-OD1 3.47Å; R474-D506 IonicContact NH1-OD2 2.94Å; R474-D506 PolarHBondContact NH1-OD2 3.2Å; R474-D506 IonicContact NH2-OD1 3.92Å; R474-D506 IonicContact NH2-OD2 2.68Å; R474-D506 PolarHBondContact NH2-OD2 3.47Å; D506-Y526 PolarHBondContact N-O 2.97Å
507K90.8Very high89Confident134 Ų13468.3 Ų68.358%0.58336%0.362SS*.  trans-136114.8172.2-65.1-178-179.3-179.50109.2F496 F505 T525F496-K507 WeakPolarHBondContact CD2-O 3.36Å; F505-K507 VanDerWaalsContact C-N 3.33Å; K507-T525 PolarHBondContact O-OG1 3.43Å; K507-T525 VanDerWaalsContact O-OG1 3.09Å
508T90.5Very high88.6Confident68 Ų6869.3 Ų69.342%0.41737%0.368SS..SBendtrans-82.7-19175.948.80000112.9F496 F505F496-T508 WeakPolarHBondContact CD2-O 3.37Å; F496-T508 PolarHBondContact N-O 3.49Å; F505-T508 HydrophobicContact CB-CG2 3.83Å
509V92.4Very high88.5Confident71 Ų7170 Ų7043%0.4338%0.377SS..EExtended strand (participates in β ladder)trans-133133.5177.4-174.50000109.5L493 I494 V495L493-V509 HydrophobicContact CB-CG1 4.25Å; I494-V509 CarbonylContact O-C 3.59Å; I494-V509 VanDerWaalsContact O-CA 3.31Å; I494-V509 WeakPolarHBondContact O-CA 3.23Å; V495-V509 HydrophobicContact CG2-CG1 4.44Å; V495-V509 HydrophobicContact CG2-CG2 4.4Å
510I92.2Very high88.5Confident24 Ų2470.7 Ų70.712%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-123.5117174.1-60.6172.6000108.2L493 I494 F496 C523L493-I510 CarbonylContact C-O 3.55Å; L493-I510 WeakPolarHBondContact CA-O 3.32Å; I494-I510 HydrophobicContact CB-CB 4.37Å; I494-I510 PolarHBondContact N-O 3.39Å; I494-I510 PolarHBondContact O-N 3.04Å; F496-I510 HydrophobicContact CE2-CD1 3.7Å; F496-I510 HydrophobicContact CE2-CG1 4.01Å; F496-I510 HydrophobicContact CZ-CD1 3.9Å; I510-C523 HydrophobicContact CD1-CB 4.49Å; I510-C523 HydrophobicContact CG2-CB 4.44Å
511E90.8Very high88.6Confident154 Ų15468.8 Ų68.872%0.7237%0.368SS*.EExtended strand (participates in β ladder)trans-71.7126.4170.1-67.6174.3-174.300109.4
512L87.6Confident88.8Confident12 Ų1269.7 Ų69.76%0.06336%0.363CS..EExtended strand (participates in β ladder)trans-83129177.2-71.1164.3000109.2L481 F492 I494 L515L481-L512 HydrophobicContact CD2-CD1 3.46Å; L481-L512 VanDerWaalsContact CD2-CD1 3.46Å; L481-L512 HydrophobicContact CD2-CD2 3.71Å; L481-L512 HydrophobicContact CD2-CG 4.22Å; F492-L512 HydrophobicContact CB-CB 4.22Å; F492-L512 HydrophobicContact CB-CD1 3.71Å; F492-L512 WeakPolarHBondContact O-CB 3.26Å; F492-L512 PolarHBondContact O-N 2.91Å; I494-L512 HydrophobicContact CD1-CD1 4.2Å; I494-L512 HydrophobicContact CD1-CD2 3.77Å; I494-L512 HydrophobicContact CD1-CG 4.18Å; I494-L512 HydrophobicContact CG1-CD1 3.8Å; I494-L512 HydrophobicContact CG1-CD2 4.17Å; I494-L512 HydrophobicContact CG1-CG 4Å; L512-L515 HydrophobicContact CB-CD1 4.5Å; L512-L515 HydrophobicContact CD1-CD1 4.38Å
513P85.4Confident89Confident69 Ų6969.5 Ų69.545%0.44836%0.363SS..  trans-66.3176.6172.931.6-35.5000110.3L515 H521P513-L515 WeakPolarHBondContact O-CG 3.49Å; P513-L515 PolarHBondContact O-N 3.48Å; P513-H521 WeakPolarHBondContact CD-NE2 3.34Å; P513-H521 VanDerWaalsContact CG-NE2 3.34Å; P513-H521 WeakPolarHBondContact CG-NE2 3.23Å
514F85.9Confident89.2Confident124 Ų12474 Ų7454%0.54438%0.384SS..  trans-51.6115.5168.2-179.3-91.2000110.7S488 T490 L516S488-F514 WeakPolarHBondContact OG-CZ 3.43Å; T490-F514 HydrophobicContact CG2-CD2 3.41Å; T490-F514 VanDerWaalsContact CG2-CD2 3.41Å; T490-F514 HydrophobicContact CG2-CE2 4.03Å; T490-F514 HydrophobicContact CG2-CG 4.41Å; F514-L516 HydrophobicContact CD1-CD2 4.4Å; F514-L516 HydrophobicContact CE1-CD2 3.77Å; F514-L516 HydrophobicContact CE1-CG 4.43Å
515L85.3Confident89.3Confident5 Ų567.6 Ų67.63%0.02636%0.356CS..PPolyproline II helixtrans-92130.2-177.5-67.5171.5000110F462 L481 A483 S488 P489 L512 P513 H521F462-L515 HydrophobicContact CD1-CD1 4.24Å; F462-L515 HydrophobicContact CE1-CD1 3.5Å; F462-L515 VanDerWaalsContact CE1-CD1 3.5Å; F462-L515 HydrophobicContact CZ-CD1 4.33Å; L481-L515 HydrophobicContact CD2-CD1 3.48Å; L481-L515 VanDerWaalsContact CD2-CD1 3.48Å; L481-L515 HydrophobicContact CD2-CD2 4.4Å; A483-L515 HydrophobicContact CB-CB 4.32Å; S488-L515 WeakPolarHBondContact CA-O 3.44Å; S488-L515 VanDerWaalsContact CB-O 3.24Å; S488-L515 WeakPolarHBondContact CB-O 3.34Å; P489-L515 HydrophobicContact CB-CB 4.28Å; P489-L515 HydrophobicContact CB-CD1 4.3Å; P489-L515 VanDerWaalsContact CD-O 3.28Å; P489-L515 WeakPolarHBondContact CD-O 3.09Å; P489-L515 HydrophobicContact CG-CB 3.75Å; P489-L515 HydrophobicContact CG-CD1 4.11Å; P489-L515 PolarHBondContact O-N 3.31Å; L512-L515 HydrophobicContact CB-CD1 4.5Å; L512-L515 HydrophobicContact CD1-CD1 4.38Å; P513-L515 WeakPolarHBondContact O-CG 3.49Å; P513-L515 PolarHBondContact O-N 3.48Å; L515-H521 HydrophobicContact CD2-CB 3.43Å; L515-H521 VanDerWaalsContact CD2-CB 3.43Å
516L85.1Confident89.3Confident99 Ų9971 Ų7152%0.51837%0.369SS..PPolyproline II helixtrans-82.1137.1173.3-71.5168.4000110.1F514 N518 C519F514-L516 HydrophobicContact CD1-CD2 4.4Å; F514-L516 HydrophobicContact CE1-CD2 3.77Å; F514-L516 HydrophobicContact CE1-CG 4.43Å; L516-N518 PolarHBondContact O-N 3Å; L516-C519 HydrophobicContact CB-CB 3.72Å; L516-C519 WeakPolarHBondContact O-CB 3.45Å; L516-C519 PolarHBondContact O-N 2.9Å; L516-C519 VanDerWaalsContact O-N 3.15Å
517P84.9Confident89.3Confident44 Ų4467 Ų6729%0.28635%0.347SS..THydrogen-bonded Turntrans-50.7130.6173.4-31.937.8000112.6S485 S488 C519S485-P517 VanDerWaalsContact O-CB 3.31Å; S485-P517 WeakPolarHBondContact O-CB 3.35Å; S488-P517 WeakPolarHBondContact OG-CD 3.41Å; P517-C519 PolarHBondContact O-N 3.45Å; P517-C519 VanDerWaalsContact O-N 3.08Å
518N83.4Confident89.3Confident117 Ų11762.4 Ų62.463%0.62633%0.331SS*.THydrogen-bonded Turntrans56.717179.4-57.3-45.4000115.2A483 L516A483-N518 WeakPolarHBondContact O-CA 3.46Å; A483-N518 PolarHBondContact O-N 3.43Å; L516-N518 PolarHBondContact O-N 3Å
519C87.9Confident89.1Confident59 Ų5960.1 Ų60.140%0.39932%0.317SS..PPolyproline II helixtrans-98.7125.9174.2-167.40000109.7L516 P517 H521L516-C519 HydrophobicContact CB-CB 3.72Å; L516-C519 WeakPolarHBondContact O-CB 3.45Å; L516-C519 PolarHBondContact O-N 2.9Å; L516-C519 VanDerWaalsContact O-N 3.15Å; P517-C519 PolarHBondContact O-N 3.45Å; P517-C519 VanDerWaalsContact O-N 3.08Å; C519-H521 PolarHBondContact O-N 3.44Å
520P89.7Confident88.9Confident89 Ų8961.7 Ų61.758%0.57832%0.322SS*.EExtended strand (participates in β ladder)trans-69.7118.9175.528.3-32.4000110.2T482T482-P520 HydrophobicContact CG2-CB 3.74Å
521H88.8Confident88.3Confident55 Ų5566.8 Ų66.826%0.25534%0.343SS..EExtended strand (participates in β ladder)trans-95.9133168.7-17243.4000109.8H480 L481 P513 L515 C519H480-H521 WeakPolarHBondContact CA-O 3.49Å; L481-H521 PolarHBondContact N-O 3.01Å; L481-H521 PolarHBondContact O-N 2.98Å; P513-H521 WeakPolarHBondContact CD-NE2 3.34Å; P513-H521 VanDerWaalsContact CG-NE2 3.34Å; P513-H521 WeakPolarHBondContact CG-NE2 3.23Å; L515-H521 HydrophobicContact CD2-CB 3.43Å; L515-H521 VanDerWaalsContact CD2-CB 3.43Å; C519-H521 PolarHBondContact O-N 3.44Å
522H92Very high87.5Confident80 Ų8066.7 Ų66.737%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-112.8128.8-179.5176.8-104.4000109.9E478 I479 H480E478-H522 IonicContact OE2-NE2 3.54Å; I479-H522 WeakPolarHBondContact O-CA 3.48Å; H480-H522 AromaticContact CE1-CD2 3.46Å; H480-H522 PolarHBondContact CE1-CD2 3.42Å; H480-H522 VanDerWaalsContact CE1-CD2 3.46Å; H480-H522 AromaticContact ND1-CD2 3.65Å
523C91.6Very high86.9Confident14 Ų1468.5 Ų68.510%0.09535%0.351CS..EExtended strand (participates in β ladder)trans-134.9151.6170.361.90000109.8I479 I510I479-C523 PolarHBondContact N-O 3.28Å; I479-C523 PolarHBondContact O-N 3.5Å; I510-C523 HydrophobicContact CD1-CB 4.49Å; I510-C523 HydrophobicContact CG2-CB 4.44Å
524Q92.8Very high86.3Confident98 Ų9871.8 Ų71.846%0.45837%0.37SS..EExtended strand (participates in β ladder)trans-133143.5-178.960.5-176.5-19.200109.9L477L477-Q524 VanDerWaalsContact O-CA 3.32Å; L477-Q524 WeakPolarHBondContact O-CA 3.32Å
525T93.7Very high86Confident3 Ų370.7 Ų70.72%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-133.8152.8169.2-167.90000109.1L477 F496 F505 K507L477-T525 HydrophobicContact CB-CG2 3.94Å; L477-T525 HydrophobicContact CD2-CG2 4Å; L477-T525 HydrophobicContact CG-CG2 4.36Å; L477-T525 PolarHBondContact N-O 3.3Å; L477-T525 PolarHBondContact O-N 3.06Å; F496-T525 HydrophobicContact CD2-CG2 4.29Å; F496-T525 HydrophobicContact CE1-CG2 4.19Å; F496-T525 HydrophobicContact CE2-CG2 3.76Å; F496-T525 HydrophobicContact CZ-CG2 3.7Å; F505-T525 HydrophobicContact CD1-CG2 3.84Å; F505-T525 HydrophobicContact CE1-CG2 3.87Å; K507-T525 PolarHBondContact O-OG1 3.43Å; K507-T525 VanDerWaalsContact O-OG1 3.09Å
526Y93.5Very high85.8Confident87 Ų8772.8 Ų72.834%0.34139%0.387SS..EExtended strand (participates in β ladder)trans-104.6141.8174.4-63.2-85.1000109.4R474 F475 C476 D506R474-Y526 VanDerWaalsContact NH2-CB 3.31Å; R474-Y526 VanDerWaalsContact NH2-CG 3.33Å; F475-Y526 WeakPolarHBondContact O-CA 3.3Å; C476-Y526 HydrophobicContact CB-CD1 3.94Å; C476-Y526 HydrophobicContact CB-CE1 3.7Å; D506-Y526 PolarHBondContact N-O 2.97Å
527L92.1Very high85.8Confident0 Ų069.5 Ų69.50%037%0.372CS..EExtended strand (participates in β ladder)trans-127.8141.6173.369.195.9000109.4L468 R474 F475 L477 Y503 K504 F505 M559L468-L527 HydrophobicContact CD1-CD2 3.96Å; R474-L527 CarbonylContact C-O 3.59Å; R474-L527 WeakPolarHBondContact CA-O 3.29Å; F475-L527 HydrophobicContact CB-CD1 4.13Å; F475-L527 HydrophobicContact CB-CG 4.09Å; F475-L527 HydrophobicContact CD2-CD1 3.97Å; F475-L527 HydrophobicContact CG-CD1 4.47Å; F475-L527 PolarHBondContact N-O 2.9Å; F475-L527 PolarHBondContact O-N 3.3Å; L477-L527 HydrophobicContact CB-CD2 4.19Å; Y503-L527 HydrophobicContact CD1-CD1 3.92Å; Y503-L527 HydrophobicContact CE1-CD1 4.44Å; K504-L527 CarbonylContact O-C 3.59Å; K504-L527 WeakPolarHBondContact O-CA 3.4Å; F505-L527 HydrophobicContact CD1-CB 3.95Å; F505-L527 HydrophobicContact CD2-CB 4.02Å; F505-L527 HydrophobicContact CE1-CB 3.8Å; F505-L527 HydrophobicContact CE1-CD2 3.8Å; F505-L527 HydrophobicContact CE1-CG 4.45Å; F505-L527 HydrophobicContact CE2-CB 3.86Å; F505-L527 HydrophobicContact CE2-CD2 4.32Å; F505-L527 HydrophobicContact CG-CB 4.05Å; F505-L527 HydrophobicContact CZ-CB 3.74Å; F505-L527 HydrophobicContact CZ-CD2 3.55Å; F505-L527 HydrophobicContact CZ-CG 4.22Å; L527-M559 HydrophobicContact CD1-CE 3.4Å; L527-M559 HydrophobicContact CD2-CE 3.8Å; L527-M559 HydrophobicContact CD2-SD 4.34Å; L527-M559 HydrophobicContact CG-CE 4.19Å
528T89.5Confident86Confident38 Ų3872.6 Ų72.623%0.23338%0.383CS..EExtended strand (participates in β ladder)trans-118.8131.8179-50.10000109.3P473 K504 I530P473-T528 CarbonylContact O-C 3.57Å; P473-T528 WeakPolarHBondContact O-CA 3.47Å; K504-T528 PolarHBondContact N-O 3.44Å; K504-T528 PolarHBondContact O-N 3.12Å; T528-I530 PolarHBondContact O-N 2.94Å
529V87.5Confident86.3Confident20 Ų2067.1 Ų67.112%0.12135%0.354CS..EExtended strand (participates in β ladder)trans-78.8117.4174.3-1730000108.5P473 F475 Y503 K531 V562P473-V529 PolarHBondContact O-N 3.47Å; F475-V529 HydrophobicContact CD2-CG2 4.08Å; F475-V529 HydrophobicContact CE2-CG2 3.68Å; Y503-V529 HydrophobicContact CD1-CG2 4.01Å; Y503-V529 HydrophobicContact CE1-CG2 3.84Å; V529-K531 WeakPolarHBondContact CG1-O 3.25Å; V529-V562 HydrophobicContact CB-CG2 3.81Å; V529-V562 HydrophobicContact CG1-CG2 3.91Å; V529-V562 HydrophobicContact CG2-CG2 3.7Å
530I86.6Confident86.4Confident105 Ų10566.3 Ų66.354%0.53835%0.347SS..  trans-89.8-31.8-178-45.6172.3000110.9I502 K504 T528I502-I530 PolarHBondContact O-N 3.21Å; K504-I530 HydrophobicContact CB-CD1 3.66Å; K504-I530 HydrophobicContact CB-CG1 3.84Å; T528-I530 PolarHBondContact O-N 2.94Å
531K80.8Confident86.5Confident131 Ų13162 Ų6257%0.5732%0.319SS*.SBendtrans-131.5125-174.8-173.6178.8179-178.10109.9A501 V529 Q533A501-K531 WeakPolarHBondContact O-CB 3.38Å; V529-K531 WeakPolarHBondContact CG1-O 3.25Å; K531-Q533 PolarHBondContact O-N 2.97Å
532E74.4Confident86.5Confident151 Ų15159.5 Ų59.571%0.70631%0.307SS*.  trans-58.8133.8173.6-73.4177.4-177.700110.7
533Q74.2Confident86.3Confident50 Ų5055.7 Ų55.723%0.23429%0.29CS..  trans-113.4144.1178.8-58.5-162.4-47.800110.1I502 Y503 K531 V535 S537 L561I502-Q533 HydrophobicContact CG1-CG 4.42Å; I502-Q533 VanDerWaalsContact CG2-CD 3.41Å; I502-Q533 HydrophobicContact CG2-CG 3.84Å; Y503-Q533 PolarHBondContact OH-OE1 3.28Å; K531-Q533 PolarHBondContact O-N 2.97Å; Q533-V535 WeakPolarHBondContact CB-O 3.37Å; Q533-V535 PolarHBondContact OE1-O 3.01Å; Q533-V535 VanDerWaalsContact OE1-O 3.11Å; Q533-S537 VanDerWaalsContact OE1-N 3.15Å; Q533-L561 HydrophobicContact CB-CD2 4.49Å; Q533-L561 WeakPolarHBondContact O-CD2 3.31Å
534T72.4Confident86.1Confident139 Ų13956.5 Ų56.585%0.85329%0.292SS*.SBendtrans-88.6-16.5167.648.60000112.5
535V79.3Confident85.7Confident100 Ų10054.6 Ų54.661%0.60628%0.283SS*.SBendtrans-129.4130-178.6-177.90000108.4Q533 S537Q533-V535 WeakPolarHBondContact CB-O 3.37Å; Q533-V535 PolarHBondContact OE1-O 3.01Å; Q533-V535 VanDerWaalsContact OE1-O 3.11Å; V535-S537 PolarHBondContact O-N 3.25Å
536P81.7Confident85.1Confident49 Ų4959.5 Ų59.532%0.31831%0.306SS..PPolyproline II helixtrans-63127.6178.426.9-35000110.8L558 M559P536-L558 HydrophobicContact CB-CD1 3.88Å; P536-L558 HydrophobicContact CB-CD2 4.34Å; P536-L558 HydrophobicContact CB-CG 3.92Å; P536-L558 HydrophobicContact CG-CD1 4.08Å; P536-L558 HydrophobicContact CG-CD2 4.13Å; P536-L558 HydrophobicContact CG-CG 4.21Å; P536-M559 WeakPolarHBondContact CB-O 3.38Å
537S85.5Confident84.3Confident31 Ų3163 Ų6322%0.21733%0.325CS..PPolyproline II helixtrans-96.6147.4175.8178.30000111.2Q533 V535 M559Q533-S537 VanDerWaalsContact OE1-N 3.15Å; V535-S537 PolarHBondContact O-N 3.25Å; S537-M559 VanDerWaalsContact O-CB 3.3Å; S537-M559 WeakPolarHBondContact O-CB 3.34Å; S537-M559 WeakPolarHBondContact O-CG 3.49Å; S537-M559 PolarHBondContact O-N 3.28Å; S537-M559 VanDerWaalsContact O-N 3.1Å
538E88.6Confident83.6Confident109 Ų10964.9 Ų64.951%0.50934%0.341SS..EExtended strand (participates in β ladder)trans-85.5138.7179.5-65.1-176.6179.400111.7I557 L558E538-I557 WeakPolarHBondContact CA-O 3.46Å; E538-L558 HydrophobicContact CG-CD1 3.76Å
539V89.8Confident82.9Confident1 Ų169 Ų691%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-103.1127.6164.2170.90000107.7H498 Y503 F505 S556 I557 M559H498-V539 HydrophobicContact CB-CG2 4.33Å; Y503-V539 HydrophobicContact CD2-CG2 4.13Å; Y503-V539 HydrophobicContact CE2-CG2 4.19Å; F505-V539 HydrophobicContact CE2-CG1 4.32Å; F505-V539 HydrophobicContact CE2-CG2 4.34Å; F505-V539 HydrophobicContact CZ-CG1 3.71Å; F505-V539 HydrophobicContact CZ-CG2 4.22Å; V539-S556 WeakPolarHBondContact O-CA 3.47Å; V539-I557 PolarHBondContact N-O 3.24Å; V539-I557 PolarHBondContact O-N 3.29Å; V539-M559 HydrophobicContact CB-CG 4.34Å; V539-M559 HydrophobicContact CB-SD 4.27Å; V539-M559 HydrophobicContact CG2-CG 3.59Å; V539-M559 HydrophobicContact CG2-SD 3.78Å
540V90.6Very high82.6Confident42 Ų4274.1 Ų74.126%0.25539%0.393SS..EExtended strand (participates in β ladder)trans-102.1122.2178.1-178.30000109.5L497 A555L497-V540 HydrophobicContact CB-CB 4.16Å; L497-V540 HydrophobicContact CD1-CG1 4.42Å; L497-V540 PolarHBondContact N-O 3Å; L497-V540 PolarHBondContact O-N 3.38Å; V540-A555 CarbonylContact C-O 3.43Å; V540-A555 WeakPolarHBondContact CA-O 3.33Å
541I91Very high82.4Confident0 Ų070.8 Ų70.80%038%0.378CS..EExtended strand (participates in β ladder)trans-94.6120.3173.2-51.3178000107.5L464 A466 L477 I479 I494 F496 T554 A555 I557L464-I541 HydrophobicContact CD1-CG2 3.96Å; A466-I541 HydrophobicContact CB-CD1 3.54Å; L477-I541 HydrophobicContact CD1-CD1 4.47Å; L477-I541 HydrophobicContact CD2-CD1 4.15Å; I479-I541 HydrophobicContact CG1-CD1 4.47Å; I494-I541 HydrophobicContact CG2-CG2 3.59Å; F496-I541 HydrophobicContact CD1-CG1 3.98Å; F496-I541 HydrophobicContact CD1-CG2 4.37Å; F496-I541 HydrophobicContact CE1-CD1 4.3Å; F496-I541 HydrophobicContact CE1-CG1 4.01Å; F496-I541 HydrophobicContact CE1-CG2 4Å; I541-T554 CarbonylContact O-C 3.59Å; I541-T554 VanDerWaalsContact O-CA 3.27Å; I541-T554 WeakPolarHBondContact O-CA 3.44Å; I541-A555 PolarHBondContact N-O 3.5Å; I541-A555 PolarHBondContact O-N 3.43Å; I541-I557 HydrophobicContact CD1-CD1 3.57Å; I541-I557 HydrophobicContact CD1-CG1 4.27Å; I541-I557 HydrophobicContact CG1-CD1 4.47Å
542S89.1Confident82.4Confident1 Ų166.5 Ų66.51%0.00736%0.362CS..EExtended strand (participates in β ladder)trans-121.3133.7176.760.40000111.8I494 V495 H544 Q553I494-S542 WeakPolarHBondContact CA-O 3.33Å; V495-S542 PolarHBondContact N-O 3.07Å; V495-S542 PolarHBondContact O-N 3.24Å; V495-S542 PolarHBondContact O-OG 2.92Å; S542-H544 WeakPolarHBondContact CB-NE2 3.41Å; S542-H544 PolarHBondContact OG-CD2 3.45Å; S542-H544 PolarHBondContact OG-NE2 3.31Å; S542-Q553 WeakPolarHBondContact CA-O 3.47Å
543I88Confident82.8Confident0 Ų060 Ų600%033%0.331CS..EExtended strand (participates in β ladder)trans-95.1125.7172.1-57.7169.5000108F462 L464 L481 F492 L493 I494 L552 Q553F462-I543 HydrophobicContact CB-CD1 3.99Å; F462-I543 HydrophobicContact CD2-CD1 4.17Å; F462-I543 HydrophobicContact CD2-CG2 4.28Å; F462-I543 HydrophobicContact CE2-CG2 4.18Å; F462-I543 HydrophobicContact CG-CD1 4.16Å; L464-I543 HydrophobicContact CB-CD1 4.34Å; L464-I543 HydrophobicContact CD1-CD1 3.68Å; L464-I543 HydrophobicContact CD1-CG1 3.9Å; L481-I543 HydrophobicContact CD1-CD1 3.49Å; L481-I543 VanDerWaalsContact CD1-CD1 3.49Å; F492-I543 HydrophobicContact CB-CG2 4.46Å; F492-I543 HydrophobicContact CD1-CG2 4.25Å; L493-I543 WeakPolarHBondContact O-CA 3.48Å; I494-I543 HydrophobicContact CG1-CG1 4.47Å; I543-L552 PolarHBondContact O-N 3.05Å; I543-Q553 HydrophobicContact CD1-CB 4.38Å; I543-Q553 PolarHBondContact N-O 3.15Å
544H86.4Confident83.4Confident32 Ų3258.6 Ų58.615%0.14833%0.326CS..EExtended strand (participates in β ladder)trans-119152.2175.6-66.6-103.5000110.1F492 L493 S542F492-H544 CarbonylContact C-O 3.37Å; F492-H544 VanDerWaalsContact CA-O 3.25Å; F492-H544 WeakPolarHBondContact CA-O 3.42Å; L493-H544 HydrophobicContact CD1-CB 3.75Å; L493-H544 HydrophobicContact CG-CB 4.24Å; L493-H544 PolarHBondContact N-O 2.83Å; L493-H544 PolarHBondContact O-N 3.44Å; S542-H544 WeakPolarHBondContact CB-NE2 3.41Å; S542-H544 PolarHBondContact OG-CD2 3.45Å; S542-H544 PolarHBondContact OG-NE2 3.31Å
545H85.2Confident84Confident57 Ų5753.2 Ų53.226%0.26430%0.295SS..EExtended strand (participates in β ladder)trans-89.4144.9161.7-176.6-91.9000108.2G491 F492 H547 A548 L552G491-H545 CarbonylContact O-C 3.58Å; G491-H545 WeakPolarHBondContact O-CA 3.43Å; G491-H545 PolarHBondContact O-CD2 3.07Å; F492-H545 HydrophobicContact CD1-CB 4.17Å; F492-H545 HydrophobicContact CE1-CB 4.03Å; F492-H545 AromaticContact CE1-CD2 3.78Å; F492-H545 AromaticContact CZ-CD2 3.74Å; H545-H547 AromaticContact CE1-CD2 3.65Å; H545-H547 PolarHBondContact ND1-N 2.98Å; H545-H547 PolarHBondContact O-N 3.3Å; H545-A548 HydrophobicContact CB-CB 3.92Å; H545-A548 PolarHBondContact O-N 2.97Å; H545-L552 HydrophobicContact CB-CD1 4.12Å
546E80.8Confident84.4Confident106 Ų10650.8 Ų50.850%0.49528%0.283SS..THydrogen-bonded Turntrans-52.6-29.3-177-77.2173.4-16400114.1G491 L493G491-E546 WeakPolarHBondContact CA-OE1 3.42Å; G491-E546 WeakPolarHBondContact O-CG 3.35Å; G491-E546 PolarHBondContact O-N 3.27Å; L493-E546 HydrophobicContact CD2-CB 4.33Å; L493-E546 HydrophobicContact CD2-CG 3.47Å; L493-E546 VanDerWaalsContact CD2-CG 3.47Å
547H77.6Confident84.7Confident162 Ų16250 Ų5075%0.7528%0.276SS*.THydrogen-bonded Turntrans-103.51.1-179.1-53.6-36.7000114.4H545H545-H547 AromaticContact CE1-CD2 3.65Å; H545-H547 PolarHBondContact ND1-N 2.98Å; H545-H547 PolarHBondContact O-N 3.3Å
548A76.8Confident84.9Confident39 Ų3953.3 Ų53.332%0.32229%0.291SS..  trans-106.7126.6-177.900000111.2H545H545-A548 HydrophobicContact CB-CB 3.92Å; H545-A548 PolarHBondContact O-N 2.97Å
549S75.5Confident84.9Confident124 Ų12448.2 Ų48.287%0.86727%0.267SS*.SBendtrans-72.1-31.2176.4-173.10000112.3
550E79.8Confident84.7Confident127 Ų12751.2 Ų51.259%0.59329%0.286SS*.SBendtrans-92.6145.2-179.4-57.4-171.4171.100112.1K446K446-E550 VanDerWaalsContact NZ-CB 3.26Å; K446-E550 IonicContact NZ-OE2 2.9Å; K446-E550 PolarHBondContact NZ-OE2 2.97Å
551P82.8Confident84.3Confident35 Ų3553.4 Ų53.423%0.22730%0.296CS..  trans-64.4149.6173.823.7-28.3000110.6K446 T554K446-P551 HydrophobicContact CD-CG 4.21Å; K446-P551 WeakPolarHBondContact CD-O 3.41Å; K446-P551 WeakPolarHBondContact CE-O 3.41Å; K446-P551 PolarHBondContact NZ-O 3.42Å; P551-T554 HydrophobicContact CB-CG2 3.89Å; P551-T554 HydrophobicContact CG-CG2 3.97Å
552L80.6Confident83.8Confident41 Ų4155.2 Ų55.222%0.21531%0.307CS..SBendtrans-86.3-41173.5-70.7164.1000111.4M459 F492 I543 H545M459-L552 HydrophobicContact CE-CD2 3.48Å; M459-L552 VanDerWaalsContact CE-CD2 3.48Å; M459-L552 HydrophobicContact SD-CD2 3.75Å; F492-L552 HydrophobicContact CD1-CD1 3.67Å; F492-L552 HydrophobicContact CE1-CD1 3.33Å; I543-L552 PolarHBondContact O-N 3.05Å; H545-L552 HydrophobicContact CB-CD1 4.12Å
553Q83.2Confident82.8Confident16 Ų1661.6 Ų61.68%0.07534%0.337CS..EExtended strand (participates in β ladder)trans-147.8141.3178.6-176.3177.14.800109F462 S542 I543F462-Q553 PolarHBondContact O-OE1 3.06Å; S542-Q553 WeakPolarHBondContact CA-O 3.47Å; I543-Q553 HydrophobicContact CD1-CB 4.38Å; I543-Q553 PolarHBondContact N-O 3.15Å
554T86.3Confident81.5Confident20 Ų2065.4 Ų65.412%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-122.8146.6174.661.20000110K445 K446 M447 I541 P551K445-T554 PolarHBondContact O-OG1 3.39Å; K446-T554 VanDerWaalsContact C-OG1 3.28Å; K446-T554 HydrophobicContact CB-CG2 4.45Å; K446-T554 PolarHBondContact O-N 3.49Å; K446-T554 PolarHBondContact O-OG1 2.78Å; M447-T554 WeakPolarHBondContact CA-O 3.49Å; I541-T554 CarbonylContact O-C 3.59Å; I541-T554 VanDerWaalsContact O-CA 3.27Å; I541-T554 WeakPolarHBondContact O-CA 3.44Å; P551-T554 HydrophobicContact CB-CG2 3.89Å; P551-T554 HydrophobicContact CG-CG2 3.97Å
555A86.6Confident79.7Confident25 Ų2571.6 Ų71.621%0.20739%0.393CS..EExtended strand (participates in β ladder)trans-136.1135.4168.500000108.5L464 V540 I541L464-A555 HydrophobicContact CD2-CB 3.52Å; V540-A555 CarbonylContact C-O 3.43Å; V540-A555 WeakPolarHBondContact CA-O 3.33Å; I541-A555 PolarHBondContact N-O 3.5Å; I541-A555 PolarHBondContact O-N 3.43Å
556S87Confident77.6Confident50 Ų5076.3 Ų76.335%0.3542%0.421SS..EExtended strand (participates in β ladder)trans-103.3136.517354.40000110V539V539-S556 WeakPolarHBondContact O-CA 3.47Å
557I88Confident75.5Confident31 Ų3181 Ų8116%0.15946%0.456CS..EExtended strand (participates in β ladder)trans-115.7122.4171.8-59.5176.5000107.1A466 L477 E538 V539 I541 M559A466-I557 HydrophobicContact CB-CD1 3.52Å; L477-I557 HydrophobicContact CD1-CD1 3.52Å; E538-I557 WeakPolarHBondContact CA-O 3.46Å; V539-I557 PolarHBondContact N-O 3.24Å; V539-I557 PolarHBondContact O-N 3.29Å; I541-I557 HydrophobicContact CD1-CD1 3.57Å; I541-I557 HydrophobicContact CD1-CG1 4.27Å; I541-I557 HydrophobicContact CG1-CD1 4.47Å; I557-M559 HydrophobicContact CG2-SD 4.42Å; I557-M559 PolarHBondContact O-N 3.19Å
558L88.9Confident75.4Confident102 Ų10277 Ų7753%0.53444%0.442SS..EExtended strand (participates in β ladder)trans-75.4117.8169.6-17170.9000108.4P536 E538P536-L558 HydrophobicContact CB-CD1 3.88Å; P536-L558 HydrophobicContact CB-CD2 4.34Å; P536-L558 HydrophobicContact CB-CG 3.92Å; P536-L558 HydrophobicContact CG-CD1 4.08Å; P536-L558 HydrophobicContact CG-CD2 4.13Å; P536-L558 HydrophobicContact CG-CG 4.21Å; E538-L558 HydrophobicContact CG-CD1 3.76Å
559M88.3Confident75.3Confident2 Ų279 Ų791%0.0145%0.448CS..PPolyproline II helixtrans-75.8135.2-177.3-65.1-61.8-6100110.9L468 F475 Y503 L527 P536 S537 V539 I557L468-M559 HydrophobicContact CD1-CE 3.84Å; L468-M559 HydrophobicContact CD1-SD 4.23Å; L468-M559 HydrophobicContact CD2-CE 3.5Å; L468-M559 HydrophobicContact CD2-SD 3.93Å; L468-M559 HydrophobicContact CG-CE 4.33Å; F475-M559 HydrophobicContact CD2-CE 4.28Å; F475-M559 HydrophobicContact CG-CE 4.47Å; Y503-M559 HydrophobicContact CE1-CB 4.26Å; Y503-M559 HydrophobicContact CE1-CE 4.31Å; Y503-M559 HydrophobicContact CE1-CG 4.11Å; Y503-M559 HydrophobicContact CE2-CG 4.2Å; Y503-M559 WeakPolarHBondContact OH-CB 3.46Å; L527-M559 HydrophobicContact CD1-CE 3.4Å; L527-M559 HydrophobicContact CD2-CE 3.8Å; L527-M559 HydrophobicContact CD2-SD 4.34Å; L527-M559 HydrophobicContact CG-CE 4.19Å; P536-M559 WeakPolarHBondContact CB-O 3.38Å; S537-M559 VanDerWaalsContact O-CB 3.3Å; S537-M559 WeakPolarHBondContact O-CB 3.34Å; S537-M559 WeakPolarHBondContact O-CG 3.49Å; S537-M559 PolarHBondContact O-N 3.28Å; S537-M559 VanDerWaalsContact O-N 3.1Å; V539-M559 HydrophobicContact CB-CG 4.34Å; V539-M559 HydrophobicContact CB-SD 4.27Å; V539-M559 HydrophobicContact CG2-CG 3.59Å; V539-M559 HydrophobicContact CG2-SD 3.78Å; I557-M559 HydrophobicContact CG2-SD 4.42Å; I557-M559 PolarHBondContact O-N 3.19Å
560P85.8Confident75.3Confident63 Ų6376.5 Ų76.541%0.40943%0.425SS..PPolyproline II helixtrans-67.6153.1173.230.8-34.3000110.6L468 F475L468-P560 HydrophobicContact CD2-CG 3.57Å; F475-P560 HydrophobicContact CD1-CG 4.43Å; F475-P560 HydrophobicContact CE1-CG 3.68Å; F475-P560 HydrophobicContact CZ-CG 4Å
561L82.7Confident75.1Confident88 Ų8873.5 Ų73.546%0.46142%0.415SS..PPolyproline II helixtrans-67.4146.1171.7-63.1172000109.6Q533 E563Q533-L561 HydrophobicContact CB-CD2 4.49Å; Q533-L561 WeakPolarHBondContact O-CD2 3.31Å; L561-E563 PolarHBondContact O-N 3.33Å
562V80.2Confident74.6Confident38 Ų3875.9 Ų75.923%0.2343%0.426CS..PPolyproline II helixtrans-68.8125.6175.7176.60000108.4F475 V529 T564F475-V562 HydrophobicContact CE2-CG2 4.26Å; V529-V562 HydrophobicContact CB-CG2 3.81Å; V529-V562 HydrophobicContact CG1-CG2 3.91Å; V529-V562 HydrophobicContact CG2-CG2 3.7Å; V562-T564 PolarHBondContact O-N 3.47Å; V562-T564 VanDerWaalsContact O-N 3.1Å
563E68.9Low74.2Confident135 Ų13578.3 Ų78.363%0.63144%0.441SS*.  trans-75.697.2170.8-71.1-177.4173.900108.2F471 L561 L565F471-E563 WeakPolarHBondContact CD1-OE2 3.4Å; F471-E563 PolarHBondContact O-N 3.01Å; L561-E563 PolarHBondContact O-N 3.33Å; E563-L565 PolarHBondContact O-N 3.06Å
564T60.1Low73.5Confident80 Ų8082.7 Ų82.749%0.49147%0.467SS..  trans-71.7112.1166.649.20000107.8V562 D566V562-T564 PolarHBondContact O-N 3.47Å; V562-T564 VanDerWaalsContact O-N 3.1Å; T564-D566 VanDerWaalsContact C-N 3.34Å; T564-D566 PolarHBondContact O-N 3.01Å
565L49Very low72.6Confident162 Ų16287.5 Ų87.585%0.84849%0.493SS*.  trans-65.699.1163.5-77.6158.7000107E563 V567E563-L565 PolarHBondContact O-N 3.06Å; L565-V567 PolarHBondContact O-N 3.02Å
566D41.8Very low71.4Confident156 Ų15692.8 Ų92.883%0.83452%0.517SS*.  trans-58.2106.5159.9-76.2-27000107T564T564-D566 VanDerWaalsContact C-N 3.34Å; T564-D566 PolarHBondContact O-N 3.01Å
567V36.1Very low70Confident206 Ų20696.6 Ų96.6100%1.24853%0.532SS*.  trans-91.10163.1176.30000108.6L565L565-V567 PolarHBondContact O-N 3.02Å

Retrieved 567 of 567 residues in 752.2 ms (Link to these results)

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