A0A096MRY5_PAPAN Loading...

Chromosome 5 open reading frame 34

AlphaFold DB , UniProt , Accession A0A096MRY5, Species PAPAN (Papio anubis, Olive baboon), Gene C5orf34, Length 637 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.8Low86.8Confident171 Ų17139.4 Ų39.484%0.84221%0.213SC*.  0132.40-74.7-171.3-80.100108.1A3 E66M1-A3 PolarHBondContact O-N 2.77Å; M1-E66 WeakPolarHBondContact CE-OE2 3.26Å; M1-E66 HydrophobicContact SD-CB 4.36Å
2A74.2Confident86.7Confident18 Ų1837 Ų3715%0.14920%0.2CC..PPolyproline II helixtrans-73129.9-178.200000110.1Y19 D21A2-Y19 HydrophobicContact CB-CD1 4.18Å; A2-Y19 HydrophobicContact CB-CG 4.18Å; A2-Y19 WeakPolarHBondContact O-CD1 3.34Å; A2-D21 HydrophobicContact CB-CB 4.06Å; A2-D21 VanDerWaalsContact CB-CG 3.45Å; A2-D21 WeakPolarHBondContact CB-OD2 3.41Å
3A86.3Confident86.9Confident55 Ų5534.2 Ų34.246%0.45519%0.185SC..PPolyproline II helixtrans-71.2149.9173.300000110M1 Y19 V20M1-A3 PolarHBondContact O-N 2.77Å; A3-Y19 WeakPolarHBondContact O-CA 3.48Å; A3-V20 HydrophobicContact CB-CG2 4.16Å; A3-V20 WeakPolarHBondContact O-CG2 3.27Å; A3-V20 PolarHBondContact O-N 3.43Å
4E91.2Very high87.2Confident33 Ų3333 Ų3315%0.15418%0.18CC..EExtended strand (participates in β ladder)trans-75.7126.6176.5-58.794161.700110.3M7 V17 Y19 R70 W336E4-M7 HydrophobicContact CB-CE 3.72Å; E4-M7 HydrophobicContact CG-CE 3.39Å; E4-V17 HydrophobicContact CB-CG1 4.33Å; E4-V17 HydrophobicContact CG-CG1 3.87Å; E4-Y19 HydrophobicContact CG-CD1 3.95Å; E4-Y19 HydrophobicContact CG-CE1 3.64Å; E4-R70 VanDerWaalsContact OE1-CD 3.22Å; E4-R70 WeakPolarHBondContact OE1-CD 3.19Å; E4-R70 IonicContact OE1-CZ 2.75Å; E4-R70 IonicContact OE1-NE 3.34Å; E4-R70 IonicContact OE1-NH1 2.79Å; E4-R70 PolarHBondContact OE1-NH1 2.98Å; E4-R70 IonicContact OE2-NH1 2.79Å; E4-R70 PolarHBondContact OE2-NH1 3.2Å; E4-W336 HydrophobicContact CB-CZ3 4.1Å; E4-W336 WeakPolarHBondContact O-CZ3 3.28Å
5L90.2Very high87.7Confident47 Ų4730.9 Ų30.925%0.24617%0.169CC..EExtended strand (participates in β ladder)trans-89.4-42174.6-179.764.2000110.4Q18 V20 Y337 K338L5-Q18 WeakPolarHBondContact CB-O 3.5Å; L5-Q18 PolarHBondContact N-O 3.36Å; L5-V20 HydrophobicContact CB-CG2 4.16Å; L5-Y337 HydrophobicContact CG-CE2 4.48Å; L5-K338 HydrophobicContact CD1-CG 4.24Å; L5-K338 PolarHBondContact O-N 3.32Å
6R92.3Very high88.1Confident26 Ų2630.6 Ų30.610%0.09817%0.166CC..EExtended strand (participates in β ladder)trans-151.1141.3-175.4-171.3-177.8-178.4174.93.8110.8V8 V17 Q18 E325 Y328 V335 W336 Y337R6-V8 HydrophobicContact CG-CG2 4.26Å; R6-V17 CarbonylContact O-C 3.47Å; R6-V17 WeakPolarHBondContact O-CA 3.33Å; R6-Q18 HydrophobicContact CB-CB 4.21Å; R6-Q18 PolarHBondContact N-O 2.87Å; R6-Q18 VanDerWaalsContact N-O 3.16Å; R6-Q18 PolarHBondContact O-N 3.4Å; R6-E325 PolarHBondContact NH1-O 3.28Å; R6-E325 PolarHBondContact NH2-O 3.31Å; R6-Y328 PolarHBondContact NH2-OH 3.2Å; R6-V335 HydrophobicContact CG-CG1 4.29Å; R6-W336 CarbonylContact C-O 3.34Å; R6-W336 VanDerWaalsContact CA-O 3.26Å; R6-W336 WeakPolarHBondContact CA-O 3.18Å; R6-Y337 HydrophobicContact CB-CD2 4.05Å; R6-Y337 HydrophobicContact CG-CD2 4.1Å
7M95Very high88.5Confident18 Ų1828.8 Ų28.89%0.08916%0.156CC..EExtended strand (participates in β ladder)trans-127.1140.1167.5-55.8178.5177.100109.2E4 Q16 V17 F74 V335 W336E4-M7 HydrophobicContact CB-CE 3.72Å; E4-M7 HydrophobicContact CG-CE 3.39Å; M7-Q16 CarbonylContact C-O 3.51Å; M7-Q16 WeakPolarHBondContact CA-O 3.27Å; M7-V17 HydrophobicContact CG-CG1 4.06Å; M7-V17 HydrophobicContact CG-CG2 4.05Å; M7-F74 HydrophobicContact CB-CD1 3.8Å; M7-F74 HydrophobicContact CB-CD2 4.41Å; M7-F74 HydrophobicContact CB-CE1 3.6Å; M7-F74 HydrophobicContact CB-CE2 4.25Å; M7-F74 HydrophobicContact CB-CG 4.2Å; M7-F74 HydrophobicContact CB-CZ 3.84Å; M7-F74 HydrophobicContact SD-CB 3.72Å; M7-F74 HydrophobicContact SD-CD1 4.06Å; M7-F74 HydrophobicContact SD-CD2 3.9Å; M7-F74 HydrophobicContact SD-CG 3.62Å; M7-V335 CarbonylContact O-C 3.59Å; M7-V335 WeakPolarHBondContact O-CA 3.3Å; M7-W336 HydrophobicContact CB-CB 4.26Å; M7-W336 HydrophobicContact CG-CE3 4.25Å; M7-W336 PolarHBondContact N-O 3.15Å; M7-W336 PolarHBondContact O-N 2.75Å
8V93.9Very high88.7Confident5 Ų530.9 Ų30.93%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-128.5126.3178.3-173.70000107.7R6 Y10 V15 Q16 Y328 V332 M334 V335R6-V8 HydrophobicContact CG-CG2 4.26Å; V8-Y10 HydrophobicContact CB-CE2 4.4Å; V8-Y10 HydrophobicContact CG1-CD1 4.12Å; V8-Y10 HydrophobicContact CG1-CE1 3.54Å; V8-Y10 HydrophobicContact CG1-CE2 4.08Å; V8-V15 CarbonylContact O-C 3.53Å; V8-V15 VanDerWaalsContact O-CA 3.26Å; V8-V15 WeakPolarHBondContact O-CA 3.17Å; V8-Q16 HydrophobicContact CB-CB 4.5Å; V8-Q16 PolarHBondContact N-O 2.68Å; V8-Q16 PolarHBondContact O-N 3.04Å; V8-Y328 HydrophobicContact CG1-CD1 3.92Å; V8-Y328 HydrophobicContact CG1-CE1 3.93Å; V8-Y328 HydrophobicContact CG2-CD1 4.3Å; V8-Y328 HydrophobicContact CG2-CE1 3.81Å; V8-V332 HydrophobicContact CG1-CG1 4.09Å; V8-V332 HydrophobicContact CG1-CG2 4.23Å; V8-M334 CarbonylContact C-O 3.59Å; V8-M334 WeakPolarHBondContact CA-O 3.31Å; V8-V335 HydrophobicContact CG1-CG2 4.36Å; V8-V335 HydrophobicContact CG2-CG1 4.39Å
9L93.4Very high88.8Confident0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-106.8127.1170.4176.568.2000107.5D13 V15 F74 R75 K333 M334L9-D13 HydrophobicContact CD1-CB 4.49Å; L9-V15 HydrophobicContact CB-CG2 4.44Å; L9-V15 HydrophobicContact CD1-CG2 3.5Å; L9-V15 VanDerWaalsContact CD1-CG2 3.5Å; L9-F74 HydrophobicContact CB-CE1 3.69Å; L9-F74 HydrophobicContact CB-CZ 4.18Å; L9-R75 HydrophobicContact CD1-CG 4.24Å; L9-K333 HydrophobicContact CD2-CD 4Å; L9-K333 HydrophobicContact CD2-CG 4.26Å; L9-K333 HydrophobicContact CG-CB 4.35Å; L9-K333 HydrophobicContact CG-CD 4.28Å; L9-K333 WeakPolarHBondContact O-CA 3.45Å; L9-K333 WeakPolarHBondContact O-CB 3.46Å; L9-K333 PolarHBondContact O-N 3.44Å; L9-M334 HydrophobicContact CB-CB 4.1Å; L9-M334 HydrophobicContact CD2-CB 4.42Å; L9-M334 PolarHBondContact N-O 3.35Å; L9-M334 PolarHBondContact O-N 3.22Å
10Y89.8Confident88.8Confident5 Ų532.8 Ų32.82%0.0218%0.178CC..EExtended strand (participates in β ladder)trans-94.8165.7177.9-59.8-72.9000111.4V8 D12 D13 S14 Q16 Y328 P329 E330 Q331 V332V8-Y10 HydrophobicContact CB-CE2 4.4Å; V8-Y10 HydrophobicContact CG1-CD1 4.12Å; V8-Y10 HydrophobicContact CG1-CE1 3.54Å; V8-Y10 HydrophobicContact CG1-CE2 4.08Å; Y10-D12 WeakPolarHBondContact CB-OD1 3.36Å; Y10-D12 PolarHBondContact O-N 3.5Å; Y10-D13 WeakPolarHBondContact O-CA 3.42Å; Y10-D13 PolarHBondContact O-N 2.89Å; Y10-S14 VanDerWaalsContact CD2-OG 3.25Å; Y10-S14 WeakPolarHBondContact CD2-OG 3.2Å; Y10-S14 PolarHBondContact N-O 3.42Å; Y10-Q16 HydrophobicContact CE2-CB 3.96Å; Y10-Q16 PolarHBondContact OH-OE1 2.89Å; Y10-Y328 HydrophobicContact CE1-CD1 4.26Å; Y10-P329 HydrophobicContact CE1-CG 4.11Å; Y10-P329 HydrophobicContact CE2-CG 4.33Å; Y10-P329 WeakPolarHBondContact OH-CD 3.22Å; Y10-E330 HydrophobicContact CD1-CB 3.79Å; Y10-E330 HydrophobicContact CE1-CB 4.39Å; Y10-E330 HydrophobicContact CG-CB 4.1Å; Y10-Q331 CarbonylContact C-O 3.55Å; Y10-Q331 VanDerWaalsContact CA-O 3.3Å; Y10-Q331 WeakPolarHBondContact CA-O 3.37Å; Y10-V332 HydrophobicContact CD1-CG2 4.28Å; Y10-V332 HydrophobicContact CE1-CG2 4.09Å
11E86.2Confident88.7Confident55 Ų5535 Ų3526%0.25719%0.19SC..THydrogen-bonded Turntrans-64.6-19.9-179.2-83.6-63.6138.200114.7Q331 K333 H346 K437E11-Q331 HydrophobicContact CB-CB 4.27Å; E11-Q331 HydrophobicContact CG-CB 4Å; E11-Q331 PolarHBondContact N-O 3.29Å; E11-K333 HydrophobicContact CG-CB 4.32Å; E11-K333 WeakPolarHBondContact OE1-CB 3.46Å; E11-K333 WeakPolarHBondContact OE1-CG 3.37Å; E11-H346 IonicContact OE1-CD2 2.87Å; E11-H346 PolarHBondContact OE1-CD2 2.95Å; E11-K437 PolarHBondContact O-NZ 2.68Å
12D84.8Confident89.8Confident11 Ų1128.6 Ų28.66%0.05917%0.167CC..THydrogen-bonded Turntrans-82.8-1.917373.3-18.8000113.1Y10 S14 P29 C434 W436Y10-D12 WeakPolarHBondContact CB-OD1 3.36Å; Y10-D12 PolarHBondContact O-N 3.5Å; D12-S14 VanDerWaalsContact C-N 3.31Å; D12-S14 VanDerWaalsContact OD1-CB 3.22Å; D12-S14 WeakPolarHBondContact OD1-CB 3.41Å; D12-S14 PolarHBondContact OD1-N 3.43Å; D12-S14 PolarHBondContact OD1-OG 3.26Å; D12-S14 PolarHBondContact OD2-OG 3.2Å; D12-P29 HydrophobicContact CB-CB 4.44Å; D12-P29 VanDerWaalsContact O-CB 3.32Å; D12-P29 WeakPolarHBondContact O-CB 3.19Å; D12-P29 WeakPolarHBondContact OD2-CG 3.49Å; D12-C434 HydrophobicContact CB-CB 3.82Å; D12-W436 PolarHBondContact O-NE1 3.35Å
13D90Very high90.5Very high1 Ų128.1 Ų28.11%0.00516%0.163CC..SBendtrans68.718.7-171.1-62.8-32.9000114.7L9 Y10 R75 K333 W436L9-D13 HydrophobicContact CD1-CB 4.49Å; Y10-D13 WeakPolarHBondContact O-CA 3.42Å; Y10-D13 PolarHBondContact O-N 2.89Å; D13-R75 WeakPolarHBondContact O-CD 3.5Å; D13-R75 PolarHBondContact O-NE 2.85Å; D13-K333 IonicContact OD1-NZ 2.78Å; D13-K333 PolarHBondContact OD1-NZ 2.75Å; D13-W436 HydrophobicContact CB-CZ2 4.37Å; D13-W436 VanDerWaalsContact OD2-CZ2 3.22Å; D13-W436 WeakPolarHBondContact OD2-CZ2 3.39Å
14S91.4Very high90.8Very high17 Ų1725.8 Ų25.812%0.11914%0.143CC..  trans-73150.9163.566.90000110.5Y10 D12 L27Y10-S14 VanDerWaalsContact CD2-OG 3.25Å; Y10-S14 WeakPolarHBondContact CD2-OG 3.2Å; Y10-S14 PolarHBondContact N-O 3.42Å; D12-S14 VanDerWaalsContact C-N 3.31Å; D12-S14 VanDerWaalsContact OD1-CB 3.22Å; D12-S14 WeakPolarHBondContact OD1-CB 3.41Å; D12-S14 PolarHBondContact OD1-N 3.43Å; D12-S14 PolarHBondContact OD1-OG 3.26Å; D12-S14 PolarHBondContact OD2-OG 3.2Å; S14-L27 WeakPolarHBondContact CA-O 3.36Å; S14-L27 VanDerWaalsContact CB-O 3.3Å; S14-L27 WeakPolarHBondContact CB-O 3.37Å
15V94.3Very high90.9Very high2 Ų224.2 Ų24.21%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-126.6141.7-178.3171.50000110.2V8 L9 V17 Q26 L27 F74 R75V8-V15 CarbonylContact O-C 3.53Å; V8-V15 VanDerWaalsContact O-CA 3.26Å; V8-V15 WeakPolarHBondContact O-CA 3.17Å; L9-V15 HydrophobicContact CB-CG2 4.44Å; L9-V15 HydrophobicContact CD1-CG2 3.5Å; L9-V15 VanDerWaalsContact CD1-CG2 3.5Å; V15-V17 HydrophobicContact CG1-CG2 3.87Å; V15-Q26 CarbonylContact O-C 3.53Å; V15-Q26 VanDerWaalsContact O-CA 3.23Å; V15-Q26 WeakPolarHBondContact O-CA 3.33Å; V15-L27 HydrophobicContact CB-CB 4.1Å; V15-L27 HydrophobicContact CB-CD1 4.09Å; V15-L27 HydrophobicContact CB-CG 4.36Å; V15-L27 HydrophobicContact CG1-CD1 4.46Å; V15-L27 PolarHBondContact N-O 3.48Å; V15-L27 PolarHBondContact O-N 2.9Å; V15-F74 HydrophobicContact CG1-CD1 4.01Å; V15-F74 HydrophobicContact CG1-CE1 4.47Å; V15-F74 HydrophobicContact CG2-CD1 4.29Å; V15-R75 HydrophobicContact CG2-CB 3.71Å; V15-R75 HydrophobicContact CG2-CG 3.98Å
16Q94.2Very high91.2Very high26 Ų2622.5 Ų22.512%0.12113%0.127CC..EExtended strand (participates in β ladder)trans-124.3129.7168.5-176.1176.811.300109.7M7 V8 Y10 L25 Q26M7-Q16 CarbonylContact C-O 3.51Å; M7-Q16 WeakPolarHBondContact CA-O 3.27Å; V8-Q16 HydrophobicContact CB-CB 4.5Å; V8-Q16 PolarHBondContact N-O 2.68Å; V8-Q16 PolarHBondContact O-N 3.04Å; Y10-Q16 HydrophobicContact CE2-CB 3.96Å; Y10-Q16 PolarHBondContact OH-OE1 2.89Å; Q16-L25 CarbonylContact C-O 3.57Å; Q16-L25 WeakPolarHBondContact CA-O 3.32Å; Q16-Q26 HydrophobicContact CB-CG 4.37Å; Q16-Q26 HydrophobicContact CG-CG 4.09Å
17V94.4Very high91.3Very high0 Ų021.4 Ų21.40%012%0.123CC..EExtended strand (participates in β ladder)trans-118.4131177.7-175.10000108.3E4 R6 M7 V15 Y19 T24 L25 A71E4-V17 HydrophobicContact CB-CG1 4.33Å; E4-V17 HydrophobicContact CG-CG1 3.87Å; R6-V17 CarbonylContact O-C 3.47Å; R6-V17 WeakPolarHBondContact O-CA 3.33Å; M7-V17 HydrophobicContact CG-CG1 4.06Å; M7-V17 HydrophobicContact CG-CG2 4.05Å; V15-V17 HydrophobicContact CG1-CG2 3.87Å; V17-Y19 HydrophobicContact CB-CE2 4.33Å; V17-Y19 HydrophobicContact CG1-CD1 4.34Å; V17-Y19 HydrophobicContact CG1-CD2 4.45Å; V17-Y19 HydrophobicContact CG1-CE1 3.85Å; V17-Y19 HydrophobicContact CG1-CE2 3.97Å; V17-T24 CarbonylContact O-C 3.54Å; V17-T24 WeakPolarHBondContact O-CA 3.41Å; V17-L25 HydrophobicContact CB-CB 4.32Å; V17-L25 HydrophobicContact CG2-CD2 4.15Å; V17-L25 PolarHBondContact N-O 3.44Å; V17-L25 PolarHBondContact O-N 2.86Å; V17-A71 HydrophobicContact CG2-CB 3.87Å
18Q92.2Very high91.2Very high66 Ų6620.6 Ų20.631%0.30812%0.119SC..EExtended strand (participates in β ladder)trans-109.9128.9170.3-172.5178.721.100108.5L5 R6 T24L5-Q18 WeakPolarHBondContact CB-O 3.5Å; L5-Q18 PolarHBondContact N-O 3.36Å; R6-Q18 HydrophobicContact CB-CB 4.21Å; R6-Q18 PolarHBondContact N-O 2.87Å; R6-Q18 VanDerWaalsContact N-O 3.16Å; R6-Q18 PolarHBondContact O-N 3.4Å; Q18-T24 HydrophobicContact CG-CG2 4.39Å
19Y91.4Very high91Very high2 Ų220.7 Ų20.71%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-99.1160.4179.2-63.1-79.1000111.3A2 A3 E4 V17 D21 G22 S23 L25 L36 Q67A2-Y19 HydrophobicContact CB-CD1 4.18Å; A2-Y19 HydrophobicContact CB-CG 4.18Å; A2-Y19 WeakPolarHBondContact O-CD1 3.34Å; A3-Y19 WeakPolarHBondContact O-CA 3.48Å; E4-Y19 HydrophobicContact CG-CD1 3.95Å; E4-Y19 HydrophobicContact CG-CE1 3.64Å; V17-Y19 HydrophobicContact CB-CE2 4.33Å; V17-Y19 HydrophobicContact CG1-CD1 4.34Å; V17-Y19 HydrophobicContact CG1-CD2 4.45Å; V17-Y19 HydrophobicContact CG1-CE1 3.85Å; V17-Y19 HydrophobicContact CG1-CE2 3.97Å; Y19-D21 WeakPolarHBondContact CB-OD1 3.25Å; Y19-D21 PolarHBondContact O-N 3.27Å; Y19-G22 PolarHBondContact O-N 3.16Å; Y19-S23 WeakPolarHBondContact CD2-O 3.31Å; Y19-S23 PolarHBondContact N-O 3.06Å; Y19-L25 HydrophobicContact CE2-CB 3.69Å; Y19-L36 HydrophobicContact CE2-CD1 4.47Å; Y19-Q67 HydrophobicContact CE1-CB 4.44Å; Y19-Q67 HydrophobicContact CE1-CG 3.9Å; Y19-Q67 WeakPolarHBondContact OH-CB 3.4Å
20V88.6Confident90.9Very high97 Ų9721 Ų2159%0.58812%0.122SC*.THydrogen-bonded Turntrans-63.7-26.5-179.8173.90000112.8A3 L5 G22A3-V20 HydrophobicContact CB-CG2 4.16Å; A3-V20 WeakPolarHBondContact O-CG2 3.27Å; A3-V20 PolarHBondContact O-N 3.43Å; L5-V20 HydrophobicContact CB-CG2 4.16Å; V20-G22 PolarHBondContact O-N 3.38Å
21D86.7Confident91.1Very high80 Ų8020.8 Ų20.843%0.42812%0.121SC..THydrogen-bonded Turntrans-76.5-2.4175.667.2-13.5000113.3A2 Y19 S23 S39A2-D21 HydrophobicContact CB-CB 4.06Å; A2-D21 VanDerWaalsContact CB-CG 3.45Å; A2-D21 WeakPolarHBondContact CB-OD2 3.41Å; Y19-D21 WeakPolarHBondContact CB-OD1 3.25Å; Y19-D21 PolarHBondContact O-N 3.27Å; D21-S23 VanDerWaalsContact C-N 3.32Å; D21-S23 VanDerWaalsContact CG-OG 3.27Å; D21-S23 VanDerWaalsContact OD1-CB 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.44Å; D21-S23 PolarHBondContact OD1-N 3.47Å; D21-S23 PolarHBondContact OD1-OG 3.46Å; D21-S23 PolarHBondContact OD2-OG 2.82Å; D21-S39 WeakPolarHBondContact O-CB 3.42Å; D21-S39 PolarHBondContact O-OG 3.33Å; D21-S39 VanDerWaalsContact O-OG 3.11Å
22G84.9Confident91.4Very high36 Ų3618.3 Ų18.337%0.37111%0.11SC..SBendtrans87.9-7.2-176.500000114.1Y19 V20Y19-G22 PolarHBondContact O-N 3.16Å; V20-G22 PolarHBondContact O-N 3.38Å
23S89.4Confident91.9Very high9 Ų919 Ų196%0.06311%0.112CC..  trans-67153175.8-56.40000110.4Y19 D21 E37 S39Y19-S23 WeakPolarHBondContact CD2-O 3.31Å; Y19-S23 PolarHBondContact N-O 3.06Å; D21-S23 VanDerWaalsContact C-N 3.32Å; D21-S23 VanDerWaalsContact CG-OG 3.27Å; D21-S23 VanDerWaalsContact OD1-CB 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.44Å; D21-S23 PolarHBondContact OD1-N 3.47Å; D21-S23 PolarHBondContact OD1-OG 3.46Å; D21-S23 PolarHBondContact OD2-OG 2.82Å; S23-E37 CarbonylContact C-O 3.56Å; S23-E37 VanDerWaalsContact CA-O 3.3Å; S23-E37 WeakPolarHBondContact CA-O 3.41Å; S23-S39 PolarHBondContact OG-N 2.85Å
24T91.9Very high92.2Very high6 Ų618.9 Ų18.94%0.03711%0.112CC..EExtended strand (participates in β ladder)trans-129.7141.2176.571.70000112.1V17 Q18 L36 E37V17-T24 CarbonylContact O-C 3.54Å; V17-T24 WeakPolarHBondContact O-CA 3.41Å; Q18-T24 HydrophobicContact CG-CG2 4.39Å; T24-L36 CarbonylContact O-C 3.4Å; T24-L36 WeakPolarHBondContact O-CA 3.23Å; T24-E37 PolarHBondContact N-O 2.83Å; T24-E37 PolarHBondContact O-N 3.34Å
25L94.7Very high92.3Very high0 Ų018.3 Ų18.30%011%0.107CC..EExtended strand (participates in β ladder)trans-120131.4174.8175.8149.7000109.3Q16 V17 Y19 L27 L35 L36 L68 A71Q16-L25 CarbonylContact C-O 3.57Å; Q16-L25 WeakPolarHBondContact CA-O 3.32Å; V17-L25 HydrophobicContact CB-CB 4.32Å; V17-L25 HydrophobicContact CG2-CD2 4.15Å; V17-L25 PolarHBondContact N-O 3.44Å; V17-L25 PolarHBondContact O-N 2.86Å; Y19-L25 HydrophobicContact CE2-CB 3.69Å; L25-L27 HydrophobicContact CD2-CD2 4.18Å; L25-L27 HydrophobicContact CD2-CG 3.96Å; L25-L35 CarbonylContact C-O 3.56Å; L25-L35 WeakPolarHBondContact CA-O 3.43Å; L25-L36 HydrophobicContact CB-CD1 3.99Å; L25-L36 HydrophobicContact CD1-CD1 4.43Å; L25-L68 HydrophobicContact CD1-CD1 4.47Å; L25-A71 HydrophobicContact CD2-CB 3.67Å
26Q94.9Very high92.2Very high10 Ų1018.4 Ų18.45%0.04711%0.108CC..EExtended strand (participates in β ladder)trans-116.9139.6174.9-69.9171.648.700109.8V15 Q16 F34 L35 W312 N313V15-Q26 CarbonylContact O-C 3.53Å; V15-Q26 VanDerWaalsContact O-CA 3.23Å; V15-Q26 WeakPolarHBondContact O-CA 3.33Å; Q16-Q26 HydrophobicContact CB-CG 4.37Å; Q16-Q26 HydrophobicContact CG-CG 4.09Å; Q26-F34 CarbonylContact O-C 3.59Å; Q26-F34 WeakPolarHBondContact O-CA 3.29Å; Q26-F34 WeakPolarHBondContact O-CB 3.43Å; Q26-L35 HydrophobicContact CB-CB 4.38Å; Q26-L35 PolarHBondContact N-O 3.18Å; Q26-L35 PolarHBondContact O-N 2.94Å; Q26-W312 HydrophobicContact CB-CE3 3.88Å; Q26-W312 HydrophobicContact CB-CZ3 3.82Å; Q26-N313 PolarHBondContact NE2-O 3.46Å
27L95Very high92.1Very high4 Ų417.5 Ų17.52%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-111.7134.3170.8-64.2174.2000110.1S14 V15 L25 F34 L68 A71 L72S14-L27 WeakPolarHBondContact CA-O 3.36Å; S14-L27 VanDerWaalsContact CB-O 3.3Å; S14-L27 WeakPolarHBondContact CB-O 3.37Å; V15-L27 HydrophobicContact CB-CB 4.1Å; V15-L27 HydrophobicContact CB-CD1 4.09Å; V15-L27 HydrophobicContact CB-CG 4.36Å; V15-L27 HydrophobicContact CG1-CD1 4.46Å; V15-L27 PolarHBondContact N-O 3.48Å; V15-L27 PolarHBondContact O-N 2.9Å; L25-L27 HydrophobicContact CD2-CD2 4.18Å; L25-L27 HydrophobicContact CD2-CG 3.96Å; L27-F34 HydrophobicContact CD2-CB 3.61Å; L27-L68 HydrophobicContact CD2-CD1 3.26Å; L27-L68 HydrophobicContact CG-CD1 4.45Å; L27-A71 HydrophobicContact CD1-CB 3.62Å; L27-A71 HydrophobicContact CG-CB 4.36Å; L27-L72 HydrophobicContact CD1-CD2 4.09Å; L27-L72 HydrophobicContact CD1-CG 4.32Å
28S93.4Very high91.9Very high1 Ų120.1 Ų20.11%0.00712%0.115CC..  trans-57.7156.4169.456.50000111.5C30 G31 S32 E33S28-C30 PolarHBondContact O-N 2.81Å; S28-C30 VanDerWaalsContact O-N 3.11Å; S28-G31 PolarHBondContact O-N 3.29Å; S28-S32 PolarHBondContact OG-N 2.83Å; S28-E33 WeakPolarHBondContact CB-O 3.44Å; S28-E33 PolarHBondContact N-O 3.23Å; S28-E33 PolarHBondContact OG-N 3.06Å; S28-E33 PolarHBondContact OG-O 2.89Å
29P90.6Very high91.5Very high6 Ų619.6 Ų19.64%0.03912%0.119CC..THydrogen-bonded Turntrans-56.4-33.4-177.3-25.634.2000113.8D12 R75 C434 W436D12-P29 HydrophobicContact CB-CB 4.44Å; D12-P29 VanDerWaalsContact O-CB 3.32Å; D12-P29 WeakPolarHBondContact O-CB 3.19Å; D12-P29 WeakPolarHBondContact OD2-CG 3.49Å; P29-R75 PolarHBondContact O-NE 3.46Å; P29-R75 PolarHBondContact O-NH2 3.42Å; P29-C434 HydrophobicContact CB-CB 4.07Å; P29-W436 PolarHBondContact O-NE1 3.04Å; P29-W436 VanDerWaalsContact O-NE1 3.16Å
30C91.3Very high91Very high7 Ų722.2 Ų22.25%0.04714%0.136CC..THydrogen-bonded Turntrans-89-4.4177.362.40000114.2S28 S32 F83 L300 H310 C435 W436S28-C30 PolarHBondContact O-N 2.81Å; S28-C30 VanDerWaalsContact O-N 3.11Å; C30-S32 PolarHBondContact O-N 2.98Å; C30-S32 PolarHBondContact SG-OG 3.43Å; C30-F83 WeakPolarHBondContact O-CD2 3.36Å; C30-L300 HydrophobicContact CB-CD1 4.1Å; C30-L300 WeakPolarHBondContact O-CD1 3.32Å; C30-H310 PolarHBondContact SG-NE2 3.49Å; C30-H310 VanDerWaalsContact SG-NE2 3.36Å; C30-C435 WeakPolarHBondContact CB-SG 3.3Å; C30-W436 HydrophobicContact CB-CB 4.3Å; C30-W436 HydrophobicContact CB-CG 4.45Å
31G93Very high90.6Very high0 Ų021.4 Ų21.40%013%0.133CC..SBendtrans73.6-2.4-175.700000115.4S28 E33 T57S28-G31 PolarHBondContact O-N 3.29Å; G31-E33 PolarHBondContact O-N 2.87Å; G31-T57 WeakPolarHBondContact O-CB 3.28Å; G31-T57 VanDerWaalsContact O-CG2 3.28Å; G31-T57 WeakPolarHBondContact O-CG2 3.29Å; G31-T57 PolarHBondContact O-OG1 3.29Å
32S92.8Very high90.1Very high3 Ų325.3 Ų25.32%0.02116%0.159CC..SBendtrans-75.1-21.2-174.3720000114.9S28 C30 R56 T57 C304S28-S32 PolarHBondContact OG-N 2.83Å; C30-S32 PolarHBondContact O-N 2.98Å; C30-S32 PolarHBondContact SG-OG 3.43Å; S32-R56 CarbonylContact O-C 3.55Å; S32-R56 VanDerWaalsContact O-CA 3.3Å; S32-R56 WeakPolarHBondContact O-CA 3.17Å; S32-T57 VanDerWaalsContact C-OG1 3.25Å; S32-T57 WeakPolarHBondContact O-CB 3.47Å; S32-T57 PolarHBondContact O-N 3.29Å; S32-T57 PolarHBondContact O-OG1 3.05Å; S32-C304 WeakPolarHBondContact OG-CB 2.92Å
33E94.9Very high89.8Confident25 Ų2529 Ų2912%0.11718%0.179CC..EExtended strand (participates in β ladder)trans-128.9151.7175.7-60.8-170.6137.700111.3S28 G31 R54 Q55 R56 T57 H310 W312S28-E33 WeakPolarHBondContact CB-O 3.44Å; S28-E33 PolarHBondContact N-O 3.23Å; S28-E33 PolarHBondContact OG-N 3.06Å; S28-E33 PolarHBondContact OG-O 2.89Å; G31-E33 PolarHBondContact O-N 2.87Å; E33-R54 IonicContact OE1-NH2 2.61Å; E33-R54 IonicContact OE2-CZ 3.22Å; E33-R54 IonicContact OE2-NE 3.72Å; E33-R54 IonicContact OE2-NH2 3.92Å; E33-R54 PolarHBondContact OE2-NH2 3.22Å; E33-Q55 WeakPolarHBondContact CA-O 3.47Å; E33-R56 HydrophobicContact CG-CG 4.31Å; E33-T57 PolarHBondContact N-OG1 3.07Å; E33-H310 IonicContact OE2-CE1 3.31Å; E33-H310 IonicContact OE2-CG 2.83Å; E33-H310 IonicContact OE2-ND1 2.92Å; E33-H310 PolarHBondContact OE2-ND1 2.97Å; E33-W312 HydrophobicContact CB-CH2 4.07Å; E33-W312 HydrophobicContact CB-CZ2 3.94Å
34F95.3Very high89.3Confident0 Ų029.6 Ų29.60%019%0.185CC..EExtended strand (participates in β ladder)trans-132.9156.1170.675.9-85000111.5Q26 L27 L36 R54 Q55 V60 L68Q26-F34 CarbonylContact O-C 3.59Å; Q26-F34 WeakPolarHBondContact O-CA 3.29Å; Q26-F34 WeakPolarHBondContact O-CB 3.43Å; L27-F34 HydrophobicContact CD2-CB 3.61Å; F34-L36 HydrophobicContact CD2-CB 4.46Å; F34-L36 HydrophobicContact CE2-CB 4.34Å; F34-R54 WeakPolarHBondContact O-CA 3.37Å; F34-Q55 HydrophobicContact CD1-CB 4.46Å; F34-Q55 WeakPolarHBondContact CD1-O 3.38Å; F34-Q55 HydrophobicContact CE1-CB 3.71Å; F34-Q55 HydrophobicContact CZ-CB 3.86Å; F34-Q55 PolarHBondContact N-O 3.45Å; F34-Q55 PolarHBondContact O-N 3.04Å; F34-V60 HydrophobicContact CE1-CB 4.18Å; F34-V60 HydrophobicContact CE1-CG2 4.09Å; F34-V60 HydrophobicContact CZ-CG2 4.06Å; F34-L68 HydrophobicContact CB-CD1 3.98Å; F34-L68 HydrophobicContact CD1-CD1 4.23Å; F34-L68 HydrophobicContact CD1-CD2 3.73Å; F34-L68 HydrophobicContact CE1-CD2 3.84Å; F34-L68 HydrophobicContact CG-CD1 4.08Å; F34-L68 HydrophobicContact CG-CD2 4.32Å
35L94.5Very high88.6Confident4 Ų434.9 Ų34.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-124.5124.7170.617268.4000108L25 Q26 R52 I53 R54 W312 F314L25-L35 CarbonylContact C-O 3.56Å; L25-L35 WeakPolarHBondContact CA-O 3.43Å; Q26-L35 HydrophobicContact CB-CB 4.38Å; Q26-L35 PolarHBondContact N-O 3.18Å; Q26-L35 PolarHBondContact O-N 2.94Å; L35-R52 HydrophobicContact CD1-CB 4.29Å; L35-I53 CarbonylContact C-O 3.57Å; L35-I53 WeakPolarHBondContact CA-O 3.37Å; L35-R54 HydrophobicContact CD1-CB 4.06Å; L35-W312 HydrophobicContact CB-CD2 4.14Å; L35-W312 HydrophobicContact CB-CE3 3.46Å; L35-W312 VanDerWaalsContact CB-CE3 3.46Å; L35-W312 HydrophobicContact CB-CH2 4.38Å; L35-W312 HydrophobicContact CB-CZ3 3.61Å; L35-W312 HydrophobicContact CD2-CB 3.93Å; L35-W312 HydrophobicContact CD2-CD2 4.3Å; L35-W312 HydrophobicContact CD2-CE3 4.01Å; L35-W312 HydrophobicContact CD2-CG 4.3Å; L35-W312 HydrophobicContact CG-CE3 4.4Å; L35-F314 HydrophobicContact CD1-CE1 4.37Å; L35-F314 HydrophobicContact CD2-CD1 4.02Å; L35-F314 HydrophobicContact CD2-CE1 3.57Å; L35-F314 HydrophobicContact CD2-CZ 4.32Å
36L93.2Very high87.5Confident4 Ų439.4 Ų39.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-110.3126170.8-179.773.9000108.7Y19 T24 L25 F34 R52 I53 Y64Y19-L36 HydrophobicContact CE2-CD1 4.47Å; T24-L36 CarbonylContact O-C 3.4Å; T24-L36 WeakPolarHBondContact O-CA 3.23Å; L25-L36 HydrophobicContact CB-CD1 3.99Å; L25-L36 HydrophobicContact CD1-CD1 4.43Å; F34-L36 HydrophobicContact CD2-CB 4.46Å; F34-L36 HydrophobicContact CE2-CB 4.34Å; L36-R52 CarbonylContact O-C 3.58Å; L36-R52 WeakPolarHBondContact O-CA 3.37Å; L36-I53 HydrophobicContact CB-CB 4.43Å; L36-I53 PolarHBondContact N-O 2.93Å; L36-I53 PolarHBondContact O-N 3.49Å; L36-Y64 HydrophobicContact CD2-CD1 3.48Å; L36-Y64 VanDerWaalsContact CD2-CD1 3.48Å; L36-Y64 HydrophobicContact CD2-CD2 4.43Å; L36-Y64 HydrophobicContact CD2-CE1 3.31Å; L36-Y64 HydrophobicContact CD2-CE2 4.29Å; L36-Y64 HydrophobicContact CD2-CG 4.07Å
37E91.6Very high86.5Confident7 Ų744.9 Ų44.93%0.03327%0.267CS..EExtended strand (participates in β ladder)trans-114.2113.3174.2-172.8162.9-148.400107.9S23 T24 P50 R52 W315S23-E37 CarbonylContact C-O 3.56Å; S23-E37 VanDerWaalsContact CA-O 3.3Å; S23-E37 WeakPolarHBondContact CA-O 3.41Å; T24-E37 PolarHBondContact N-O 2.83Å; T24-E37 PolarHBondContact O-N 3.34Å; E37-P50 HydrophobicContact CG-CB 3.81Å; E37-P50 HydrophobicContact CG-CG 3.69Å; E37-P50 WeakPolarHBondContact OE1-CG 3.31Å; E37-R52 HydrophobicContact CB-CG 4.38Å; E37-R52 HydrophobicContact CG-CG 4.03Å; E37-R52 IonicContact OE1-CZ 2.83Å; E37-R52 VanDerWaalsContact OE1-CZ 3.31Å; E37-R52 IonicContact OE1-NE 3.31Å; E37-R52 PolarHBondContact OE1-NE 2.72Å; E37-R52 IonicContact OE1-NH2 3.73Å; E37-R52 PolarHBondContact OE1-NH2 2.97Å; E37-W315 VanDerWaalsContact OE2-CD1 3.29Å; E37-W315 PolarHBondContact OE2-N 3.38Å
38K89.4Confident85.6Confident56 Ų5649.6 Ų49.624%0.24329%0.289CS..PPolyproline II helixtrans-79.8143.1-179-63.4-175.8-167.6162.50110.2P50 E51 Y64K38-P50 VanDerWaalsContact O-CB 3.3Å; K38-P50 WeakPolarHBondContact O-CB 3.33Å; K38-E51 HydrophobicContact CB-CB 4.35Å; K38-E51 HydrophobicContact CD-CB 4.33Å; K38-E51 WeakPolarHBondContact CD-OE2 3.37Å; K38-E51 PolarHBondContact N-O 2.9Å; K38-E51 IonicContact NZ-OE1 3.46Å; K38-E51 PolarHBondContact NZ-OE1 3.42Å; K38-E51 IonicContact NZ-OE2 3.58Å; K38-E51 PolarHBondContact NZ-OE2 3.45Å; K38-Y64 VanDerWaalsContact CE-OH 3.26Å; K38-Y64 WeakPolarHBondContact CE-OH 3.31Å; K38-Y64 PolarHBondContact NZ-OH 3.44Å
39S84.6Confident84.7Confident54 Ų5456.8 Ų56.838%0.37832%0.322SS..PPolyproline II helixtrans-60.4127.9171.5-167.30000110D21 S23D21-S39 WeakPolarHBondContact O-CB 3.42Å; D21-S39 PolarHBondContact O-OG 3.33Å; D21-S39 VanDerWaalsContact O-OG 3.11Å; S23-S39 PolarHBondContact OG-N 2.85Å
40P80.9Confident84.3Confident58 Ų5857.2 Ų57.238%0.37733%0.325SS..PPolyproline II helixtrans-63145.1174.825.4-30.9000109.7A44P40-A44 HydrophobicContact CB-CB 3.82Å
41P79.6Confident84.1Confident80 Ų8062 Ų6252%0.51935%0.347SS..PPolyproline II helixtrans-59.9153.5177.721.1-28.5000110.8S43 A44P41-S43 PolarHBondContact O-N 2.84Å; P41-A44 HydrophobicContact CG-CB 3.97Å; P41-A44 WeakPolarHBondContact O-CB 3.43Å; P41-A44 PolarHBondContact O-N 3.03Å
42V76.3Confident84Confident161 Ų16165.8 Ų65.898%0.97636%0.361SS*.THydrogen-bonded Turntrans-57.8-24.4-178.8-176.70000112.4
43S79.1Confident84Confident113 Ų11367.4 Ų67.479%0.7937%0.369SS*.THydrogen-bonded Turntrans-87.2-3.1176.358.20000114.7P41P41-S43 PolarHBondContact O-N 2.84Å
44A77.6Confident83.9Confident23 Ų2372.3 Ų72.319%0.1939%0.387CS..SBendtrans-68.3147.1-178.500000111.4P40 P41 E48P40-A44 HydrophobicContact CB-CB 3.82Å; P41-A44 HydrophobicContact CG-CB 3.97Å; P41-A44 WeakPolarHBondContact O-CB 3.43Å; P41-A44 PolarHBondContact O-N 3.03Å; A44-E48 WeakPolarHBondContact CA-OE2 3.27Å; A44-E48 WeakPolarHBondContact CB-OE2 3.32Å
45H77.1Confident83.7Confident116 Ų11675 Ų7554%0.53740%0.4SS..  trans-71.1143176.1-172.2-91.9000110.1L47 E48H45-L47 WeakPolarHBondContact ND1-CB 3.26Å; H45-L47 PolarHBondContact ND1-N 3.02Å; H45-L47 VanDerWaalsContact ND1-N 3.19Å; H45-L47 PolarHBondContact O-N 3.2Å; H45-E48 HydrophobicContact CB-CB 4.33Å; H45-E48 PolarHBondContact N-OE2 3.4Å; H45-E48 WeakPolarHBondContact O-CB 3.31Å; H45-E48 PolarHBondContact O-N 3.49Å
46P72.3Confident83.7Confident95 Ų9581.4 Ų81.462%0.61742%0.423SS*.THydrogen-bonded Turntrans-58.7-19.3-179.3-28.135.8000116.1S317P46-S317 VanDerWaalsContact O-CB 3.26Å; P46-S317 WeakPolarHBondContact O-CB 3.21Å
47L74.5Confident83.7Confident126 Ų12681.2 Ų81.266%0.6642%0.422SS*.THydrogen-bonded Turntrans-94.9-5.3175.2-58.6177.2000113.4H45 Q49H45-L47 WeakPolarHBondContact ND1-CB 3.26Å; H45-L47 PolarHBondContact ND1-N 3.02Å; H45-L47 VanDerWaalsContact ND1-N 3.19Å; H45-L47 PolarHBondContact O-N 3.2Å; L47-Q49 PolarHBondContact O-N 3.49Å
48E74.9Confident83.6Confident103 Ų10381.7 Ų81.748%0.48143%0.425SS..SBendtrans-69.7125.5176.8-167.4172.9174.200108.9A44 H45A44-E48 WeakPolarHBondContact CA-OE2 3.27Å; A44-E48 WeakPolarHBondContact CB-OE2 3.32Å; H45-E48 HydrophobicContact CB-CB 4.33Å; H45-E48 PolarHBondContact N-OE2 3.4Å; H45-E48 WeakPolarHBondContact O-CB 3.31Å; H45-E48 PolarHBondContact O-N 3.49Å
49Q76.1Confident83.7Confident151 Ų15184.1 Ų84.171%0.70644%0.435SS*.PPolyproline II helixtrans-73.7135.9179.3-68.4-173-4.500109.6L47L47-Q49 PolarHBondContact O-N 3.49Å
50P81.3Confident84.1Confident15 Ų1582.4 Ų82.410%0.09742%0.423CS..PPolyproline II helixtrans-62.9148.9176.426.8-34.9000110.9E37 K38 R52E37-P50 HydrophobicContact CG-CB 3.81Å; E37-P50 HydrophobicContact CG-CG 3.69Å; E37-P50 WeakPolarHBondContact OE1-CG 3.31Å; K38-P50 VanDerWaalsContact O-CB 3.3Å; K38-P50 WeakPolarHBondContact O-CB 3.33Å; P50-R52 PolarHBondContact O-N 3.03Å
51E87.9Confident84.6Confident108 Ų10883.6 Ų83.651%0.50543%0.425SS..PPolyproline II helixtrans-66121.1175.8-169.1-166.7150.700109.5K38K38-E51 HydrophobicContact CB-CB 4.35Å; K38-E51 HydrophobicContact CD-CB 4.33Å; K38-E51 WeakPolarHBondContact CD-OE2 3.37Å; K38-E51 PolarHBondContact N-O 2.9Å; K38-E51 IonicContact NZ-OE1 3.46Å; K38-E51 PolarHBondContact NZ-OE1 3.42Å; K38-E51 IonicContact NZ-OE2 3.58Å; K38-E51 PolarHBondContact NZ-OE2 3.45Å
52R90.7Very high85Confident79 Ų7984.7 Ų84.730%0.29843%0.434SS..EExtended strand (participates in β ladder)trans-115.3131.1-177.1-70.4166.6-176.4165.14.5110.6L35 L36 E37 P50L35-R52 HydrophobicContact CD1-CB 4.29Å; L36-R52 CarbonylContact O-C 3.58Å; L36-R52 WeakPolarHBondContact O-CA 3.37Å; E37-R52 HydrophobicContact CB-CG 4.38Å; E37-R52 HydrophobicContact CG-CG 4.03Å; E37-R52 IonicContact OE1-CZ 2.83Å; E37-R52 VanDerWaalsContact OE1-CZ 3.31Å; E37-R52 IonicContact OE1-NE 3.31Å; E37-R52 PolarHBondContact OE1-NE 2.72Å; E37-R52 IonicContact OE1-NH2 3.73Å; E37-R52 PolarHBondContact OE1-NH2 2.97Å; P50-R52 PolarHBondContact O-N 3.03Å
53I91.4Very high85.6Confident37 Ų3781.4 Ų81.419%0.1942%0.415CS..EExtended strand (participates in β ladder)trans-122.9112.1177.4-58.2172.2000107.7L35 L36 Y64L35-I53 CarbonylContact C-O 3.57Å; L35-I53 WeakPolarHBondContact CA-O 3.37Å; L36-I53 HydrophobicContact CB-CB 4.43Å; L36-I53 PolarHBondContact N-O 2.93Å; L36-I53 PolarHBondContact O-N 3.49Å; I53-Y64 HydrophobicContact CD1-CE2 3.66Å; I53-Y64 VanDerWaalsContact CD1-OH 3.24Å; I53-Y64 WeakPolarHBondContact CD1-OH 3.15Å
54R92.7Very high86.1Confident129 Ų12977.3 Ų77.349%0.48738%0.382SS..EExtended strand (participates in β ladder)trans-109.9124.9172-174178.6172.3-173.6-1.4109.3E33 F34 L35E33-R54 IonicContact OE1-NH2 2.61Å; E33-R54 IonicContact OE2-CZ 3.22Å; E33-R54 IonicContact OE2-NE 3.72Å; E33-R54 IonicContact OE2-NH2 3.92Å; E33-R54 PolarHBondContact OE2-NH2 3.22Å; F34-R54 WeakPolarHBondContact O-CA 3.37Å; L35-R54 HydrophobicContact CD1-CB 4.06Å
55Q92.8Very high86.8Confident57 Ų5781.4 Ų81.427%0.26639%0.393SS..EExtended strand (participates in β ladder)trans-148.9157.1-178.7-160.6-173.86.500111.1E33 F34 T57 F59E33-Q55 WeakPolarHBondContact CA-O 3.47Å; F34-Q55 HydrophobicContact CD1-CB 4.46Å; F34-Q55 WeakPolarHBondContact CD1-O 3.38Å; F34-Q55 HydrophobicContact CE1-CB 3.71Å; F34-Q55 HydrophobicContact CZ-CB 3.86Å; F34-Q55 PolarHBondContact N-O 3.45Å; F34-Q55 PolarHBondContact O-N 3.04Å; Q55-T57 PolarHBondContact O-N 3.48Å; Q55-F59 PolarHBondContact NE2-O 2.99Å
56R93.1Very high87.4Confident137 Ų13780.8 Ų80.852%0.51739%0.39SS..EExtended strand (participates in β ladder)trans-66.9129.5165.1-69.9-178.3-176-176.52.9110.1S32 E33 H58 F59S32-R56 CarbonylContact O-C 3.55Å; S32-R56 VanDerWaalsContact O-CA 3.3Å; S32-R56 WeakPolarHBondContact O-CA 3.17Å; E33-R56 HydrophobicContact CG-CG 4.31Å; R56-H58 VanDerWaalsContact C-N 3.28Å; R56-H58 PolarHBondContact O-N 2.75Å; R56-F59 HydrophobicContact CB-CD2 3.92Å; R56-F59 PolarHBondContact O-N 3.48Å
57T93.1Very high88.4Confident0 Ų077.3 Ų77.30%037%0.365CS..G310 helixtrans-53.3-41.9-177.2-59.80000112.5G31 S32 E33 Q55 F59 V60 L68 L72 F83 I88G31-T57 WeakPolarHBondContact O-CB 3.28Å; G31-T57 VanDerWaalsContact O-CG2 3.28Å; G31-T57 WeakPolarHBondContact O-CG2 3.29Å; G31-T57 PolarHBondContact O-OG1 3.29Å; S32-T57 VanDerWaalsContact C-OG1 3.25Å; S32-T57 WeakPolarHBondContact O-CB 3.47Å; S32-T57 PolarHBondContact O-N 3.29Å; S32-T57 PolarHBondContact O-OG1 3.05Å; E33-T57 PolarHBondContact N-OG1 3.07Å; Q55-T57 PolarHBondContact O-N 3.48Å; T57-F59 PolarHBondContact O-N 2.71Å; T57-F59 VanDerWaalsContact O-N 3.17Å; T57-V60 WeakPolarHBondContact O-CB 3.42Å; T57-V60 WeakPolarHBondContact O-CG1 3.38Å; T57-V60 PolarHBondContact O-N 3.18Å; T57-L68 HydrophobicContact CG2-CD1 4.25Å; T57-L68 HydrophobicContact CG2-CD2 3.77Å; T57-L68 HydrophobicContact CG2-CG 4.12Å; T57-L72 HydrophobicContact CG2-CD1 3.83Å; T57-L72 HydrophobicContact CG2-CD2 4.44Å; T57-F83 HydrophobicContact CG2-CD1 4.05Å; T57-F83 HydrophobicContact CG2-CE1 3.42Å; T57-F83 VanDerWaalsContact CG2-CE1 3.42Å; T57-F83 HydrophobicContact CG2-CZ 4.14Å; T57-I88 HydrophobicContact CG2-CD1 3.47Å; T57-I88 VanDerWaalsContact CG2-CD1 3.47Å; T57-I88 VanDerWaalsContact O-CD1 3.31Å; T57-I88 WeakPolarHBondContact O-CD1 3.5Å
58H90.9Very high89.3Confident18 Ų1871.3 Ų71.38%0.08333%0.334CS..G310 helixtrans-60.7-26179176.484.4000114.3R56 S85 T87 K154 L302R56-H58 VanDerWaalsContact C-N 3.28Å; R56-H58 PolarHBondContact O-N 2.75Å; H58-S85 PolarHBondContact ND1-OG 2.68Å; H58-T87 WeakPolarHBondContact CE1-CG2 3.43Å; H58-T87 PolarHBondContact CE1-OG1 3Å; H58-T87 PolarHBondContact ND1-OG1 3.44Å; H58-T87 PolarHBondContact O-OG1 2.8Å; H58-K154 WeakPolarHBondContact NE2-CE 3.12Å; H58-K154 PolarHBondContact NE2-NZ 3.26Å; H58-K154 VanDerWaalsContact NE2-NZ 3.18Å; H58-L302 HydrophobicContact CB-CD2 4.45Å
59F91.9Very high90.2Very high106 Ų10667.8 Ų67.847%0.46532%0.318SS..G310 helixtrans-100.312.3-177.8-65-67.7000113.3Q55 R56 T57 I61Q55-F59 PolarHBondContact NE2-O 2.99Å; R56-F59 HydrophobicContact CB-CD2 3.92Å; R56-F59 PolarHBondContact O-N 3.48Å; T57-F59 PolarHBondContact O-N 2.71Å; T57-F59 VanDerWaalsContact O-N 3.17Å; F59-I61 PolarHBondContact O-N 2.85Å
60V92.4Very high91Very high19 Ų1964.5 Ų64.512%0.11530%0.299CS..  trans-52135.4-179.768.70000111.9F34 T57 R65 L68 I88F34-V60 HydrophobicContact CE1-CB 4.18Å; F34-V60 HydrophobicContact CE1-CG2 4.09Å; F34-V60 HydrophobicContact CZ-CG2 4.06Å; T57-V60 WeakPolarHBondContact O-CB 3.42Å; T57-V60 WeakPolarHBondContact O-CG1 3.38Å; T57-V60 PolarHBondContact O-N 3.18Å; V60-R65 HydrophobicContact CG1-CB 4.37Å; V60-R65 HydrophobicContact CG1-CG 4.15Å; V60-L68 HydrophobicContact CB-CD2 3.54Å; V60-L68 HydrophobicContact CG1-CD2 3.88Å; V60-L68 HydrophobicContact CG2-CB 4.44Å; V60-L68 HydrophobicContact CG2-CD2 3.49Å; V60-L68 VanDerWaalsContact CG2-CD2 3.49Å; V60-I88 HydrophobicContact CG1-CD1 4.32Å; V60-I88 HydrophobicContact CG1-CG1 4.14Å
61I90.6Very high91.7Very high83 Ų8363.8 Ų63.843%0.42629%0.294SS..  trans-78.1158.9173.862.9171.8000111.3F59 T63 Y64 R65F59-I61 PolarHBondContact O-N 2.85Å; I61-T63 PolarHBondContact O-N 2.91Å; I61-T63 VanDerWaalsContact O-N 3.08Å; I61-Y64 HydrophobicContact CD1-CD2 3.99Å; I61-Y64 HydrophobicContact CD1-CE2 3.76Å; I61-Y64 HydrophobicContact CG1-CD2 3.71Å; I61-Y64 HydrophobicContact CG1-CE2 4.04Å; I61-Y64 PolarHBondContact O-N 3.09Å; I61-Y64 VanDerWaalsContact O-N 3.14Å; I61-R65 PolarHBondContact O-N 3.37Å
62S87.9Confident92Very high102 Ų10258.8 Ų58.871%0.71327%0.271SS*.Hα-helixtrans-52.3-35.5-178.450.90000113.5Y64 R65S62-Y64 VanDerWaalsContact C-N 3.27Å; S62-Y64 PolarHBondContact O-N 3.09Å; S62-R65 PolarHBondContact O-N 3.43Å
63T89.7Confident92.2Very high92 Ų9258 Ų5856%0.56427%0.273SS*.Hα-helixtrans-54-38.7180-45.20000113.8I61I61-T63 PolarHBondContact O-N 2.91Å; I61-T63 VanDerWaalsContact O-N 3.08Å
64Y89.4Confident92.4Very high27 Ų2757.3 Ų57.311%0.10627%0.268CS..Hα-helixtrans-110.8-1.1-174.2-51.5-54.8000113.1L36 K38 I53 I61 S62 E66 Q67 L68L36-Y64 HydrophobicContact CD2-CD1 3.48Å; L36-Y64 VanDerWaalsContact CD2-CD1 3.48Å; L36-Y64 HydrophobicContact CD2-CD2 4.43Å; L36-Y64 HydrophobicContact CD2-CE1 3.31Å; L36-Y64 HydrophobicContact CD2-CE2 4.29Å; L36-Y64 HydrophobicContact CD2-CG 4.07Å; K38-Y64 VanDerWaalsContact CE-OH 3.26Å; K38-Y64 WeakPolarHBondContact CE-OH 3.31Å; K38-Y64 PolarHBondContact NZ-OH 3.44Å; I53-Y64 HydrophobicContact CD1-CE2 3.66Å; I53-Y64 VanDerWaalsContact CD1-OH 3.24Å; I53-Y64 WeakPolarHBondContact CD1-OH 3.15Å; I61-Y64 HydrophobicContact CD1-CD2 3.99Å; I61-Y64 HydrophobicContact CD1-CE2 3.76Å; I61-Y64 HydrophobicContact CG1-CD2 3.71Å; I61-Y64 HydrophobicContact CG1-CE2 4.04Å; I61-Y64 PolarHBondContact O-N 3.09Å; I61-Y64 VanDerWaalsContact O-N 3.14Å; S62-Y64 VanDerWaalsContact C-N 3.27Å; S62-Y64 PolarHBondContact O-N 3.09Å; Y64-E66 PolarHBondContact O-N 3.36Å; Y64-Q67 PolarHBondContact O-N 3Å; Y64-L68 VanDerWaalsContact O-CB 3.29Å; Y64-L68 WeakPolarHBondContact O-CB 3.49Å; Y64-L68 PolarHBondContact O-N 3.36Å
65R91.1Very high92.4Very high110 Ų11051.2 Ų51.242%0.41525%0.245SC..Hα-helixtrans-61-42.1-171-167.6179.9-164.8-174.90.8112.8V60 I61 S62 Q69 T87 I88V60-R65 HydrophobicContact CG1-CB 4.37Å; V60-R65 HydrophobicContact CG1-CG 4.15Å; I61-R65 PolarHBondContact O-N 3.37Å; S62-R65 PolarHBondContact O-N 3.43Å; R65-Q69 WeakPolarHBondContact O-CB 3.36Å; R65-Q69 PolarHBondContact O-N 3.44Å; R65-T87 VanDerWaalsContact CZ-O 3.32Å; R65-T87 PolarHBondContact NE-O 3.05Å; R65-T87 PolarHBondContact NH2-O 2.79Å; R65-I88 HydrophobicContact CG-CG2 4.38Å
66E91.3Very high92.5Very high102 Ų10248.9 Ų48.948%0.47724%0.235SC..Hα-helixtrans-69.8-44-180-69-169.8-163.400112.9M1 Y64 L68 Q69 R70M1-E66 WeakPolarHBondContact CE-OE2 3.26Å; M1-E66 HydrophobicContact SD-CB 4.36Å; Y64-E66 PolarHBondContact O-N 3.36Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 2.93Å; E66-Q69 PolarHBondContact O-N 3.27Å; E66-R70 PolarHBondContact O-N 3Å; E66-R70 IonicContact OE2-NH2 3.99Å
67Q92.4Very high92.5Very high22 Ų2243.4 Ų43.410%0.10322%0.218CC..Hα-helixtrans-58.9-44.2175.6-79178.3-3700110.7Y19 Y64 R70 A71Y19-Q67 HydrophobicContact CE1-CB 4.44Å; Y19-Q67 HydrophobicContact CE1-CG 3.9Å; Y19-Q67 WeakPolarHBondContact OH-CB 3.4Å; Y64-Q67 PolarHBondContact O-N 3Å; Q67-R70 PolarHBondContact O-N 3.04Å; Q67-A71 PolarHBondContact O-N 3.44Å
68L93.9Very high92.2Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-67.2-40.5177.4-170.855.5000112.2L25 L27 F34 T57 V60 Y64 E66 A71 L72 I88L25-L68 HydrophobicContact CD1-CD1 4.47Å; L27-L68 HydrophobicContact CD2-CD1 3.26Å; L27-L68 HydrophobicContact CG-CD1 4.45Å; F34-L68 HydrophobicContact CB-CD1 3.98Å; F34-L68 HydrophobicContact CD1-CD1 4.23Å; F34-L68 HydrophobicContact CD1-CD2 3.73Å; F34-L68 HydrophobicContact CE1-CD2 3.84Å; F34-L68 HydrophobicContact CG-CD1 4.08Å; F34-L68 HydrophobicContact CG-CD2 4.32Å; T57-L68 HydrophobicContact CG2-CD1 4.25Å; T57-L68 HydrophobicContact CG2-CD2 3.77Å; T57-L68 HydrophobicContact CG2-CG 4.12Å; V60-L68 HydrophobicContact CB-CD2 3.54Å; V60-L68 HydrophobicContact CG1-CD2 3.88Å; V60-L68 HydrophobicContact CG2-CB 4.44Å; V60-L68 HydrophobicContact CG2-CD2 3.49Å; V60-L68 VanDerWaalsContact CG2-CD2 3.49Å; Y64-L68 VanDerWaalsContact O-CB 3.29Å; Y64-L68 WeakPolarHBondContact O-CB 3.49Å; Y64-L68 PolarHBondContact O-N 3.36Å; E66-L68 VanDerWaalsContact C-N 3.28Å; E66-L68 PolarHBondContact O-N 2.93Å; L68-A71 PolarHBondContact O-N 3.45Å; L68-L72 HydrophobicContact CG-CD1 4.23Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 3.47Å; L68-I88 HydrophobicContact CD2-CD1 4.49Å
69Q93.5Very high92Very high29 Ų2942.8 Ų42.814%0.13622%0.215CC..Hα-helixtrans-61.3-43.8174.8-177.9675500111.3R65 E66 L72 D73 I88R65-Q69 WeakPolarHBondContact O-CB 3.36Å; R65-Q69 PolarHBondContact O-N 3.44Å; E66-Q69 PolarHBondContact O-N 3.27Å; Q69-L72 PolarHBondContact O-N 2.92Å; Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.29Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.33Å; Q69-I88 HydrophobicContact CB-CG2 4.36Å; Q69-I88 VanDerWaalsContact OE1-CG2 3.22Å; Q69-I88 PolarHBondContact OE1-O 3.48Å
70R93.6Very high91.5Very high82 Ų8240.8 Ų40.831%0.30921%0.212SC..Hα-helixtrans-64.5-41.2177.5-73.6-173.5-108154.4-15112.1E4 E66 Q67 D73 F74E4-R70 VanDerWaalsContact OE1-CD 3.22Å; E4-R70 WeakPolarHBondContact OE1-CD 3.19Å; E4-R70 IonicContact OE1-CZ 2.75Å; E4-R70 IonicContact OE1-NE 3.34Å; E4-R70 IonicContact OE1-NH1 2.79Å; E4-R70 PolarHBondContact OE1-NH1 2.98Å; E4-R70 IonicContact OE2-NH1 2.79Å; E4-R70 PolarHBondContact OE2-NH1 3.2Å; E66-R70 PolarHBondContact O-N 3Å; E66-R70 IonicContact OE2-NH2 3.99Å; Q67-R70 PolarHBondContact O-N 3.04Å; R70-D73 PolarHBondContact O-N 3.43Å; R70-F74 PolarHBondContact O-N 3.16Å
71A95.3Very high91.3Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-64.8-39.5174.400000112.6V17 L25 L27 Q67 L68 F74 R75V17-A71 HydrophobicContact CG2-CB 3.87Å; L25-A71 HydrophobicContact CD2-CB 3.67Å; L27-A71 HydrophobicContact CD1-CB 3.62Å; L27-A71 HydrophobicContact CG-CB 4.36Å; Q67-A71 PolarHBondContact O-N 3.44Å; L68-A71 PolarHBondContact O-N 3.45Å; A71-F74 PolarHBondContact O-N 2.72Å; A71-R75 PolarHBondContact O-N 2.95Å
72L95.2Very high91.4Very high4 Ų440.7 Ų40.72%0.02121%0.205CC..Hα-helixtrans-68.6-39.6174.8-74.9171.5000112.4L27 T57 L68 Q69 F74 R75 N76 F83 I88L27-L72 HydrophobicContact CD1-CD2 4.09Å; L27-L72 HydrophobicContact CD1-CG 4.32Å; T57-L72 HydrophobicContact CG2-CD1 3.83Å; T57-L72 HydrophobicContact CG2-CD2 4.44Å; L68-L72 HydrophobicContact CG-CD1 4.23Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.42Å; L68-L72 PolarHBondContact O-N 3.47Å; Q69-L72 PolarHBondContact O-N 2.92Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-R75 PolarHBondContact O-N 3.09Å; L72-N76 WeakPolarHBondContact O-CB 3.3Å; L72-N76 PolarHBondContact O-N 3.47Å; L72-N76 PolarHBondContact O-ND2 2.9Å; L72-F83 HydrophobicContact CD1-CD1 4.21Å; L72-F83 HydrophobicContact CD2-CB 4.19Å; L72-F83 HydrophobicContact CD2-CD1 3.76Å; L72-F83 HydrophobicContact CD2-CG 4.35Å; L72-I88 HydrophobicContact CD1-CD1 3.93Å; L72-I88 HydrophobicContact CD1-CG2 4.43Å
73D94Very high91.7Very high62 Ų6236 Ų3633%0.33217%0.171SC..Hα-helixtrans-62.6-42.8175.2-74.7-11.5000110.1Q69 R70 N76 S77 R93Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.29Å; Q69-D73 VanDerWaalsContact O-CG 3.26Å; Q69-D73 PolarHBondContact O-N 3.33Å; R70-D73 PolarHBondContact O-N 3.43Å; D73-N76 PolarHBondContact O-N 2.89Å; D73-S77 WeakPolarHBondContact O-CB 3.35Å; D73-S77 PolarHBondContact O-N 2.89Å; D73-R93 IonicContact OD2-NH1 2.95Å; D73-R93 PolarHBondContact OD2-NH1 3.13Å
74F94.9Very high91.9Very high23 Ų2332.1 Ų32.110%0.10115%0.147CC..Hα-helixtrans-60.5-48.7172.9-179.9-108.3000112M7 L9 V15 R70 A71 L72 S77 M334 W336M7-F74 HydrophobicContact CB-CD1 3.8Å; M7-F74 HydrophobicContact CB-CD2 4.41Å; M7-F74 HydrophobicContact CB-CE1 3.6Å; M7-F74 HydrophobicContact CB-CE2 4.25Å; M7-F74 HydrophobicContact CB-CG 4.2Å; M7-F74 HydrophobicContact CB-CZ 3.84Å; M7-F74 HydrophobicContact SD-CB 3.72Å; M7-F74 HydrophobicContact SD-CD1 4.06Å; M7-F74 HydrophobicContact SD-CD2 3.9Å; M7-F74 HydrophobicContact SD-CG 3.62Å; L9-F74 HydrophobicContact CB-CE1 3.69Å; L9-F74 HydrophobicContact CB-CZ 4.18Å; V15-F74 HydrophobicContact CG1-CD1 4.01Å; V15-F74 HydrophobicContact CG1-CE1 4.47Å; V15-F74 HydrophobicContact CG2-CD1 4.29Å; R70-F74 PolarHBondContact O-N 3.16Å; A71-F74 PolarHBondContact O-N 2.72Å; L72-F74 VanDerWaalsContact C-N 3.33Å; F74-S77 WeakPolarHBondContact O-CB 3.49Å; F74-S77 PolarHBondContact O-N 2.84Å; F74-S77 PolarHBondContact O-OG 3.44Å; F74-M334 HydrophobicContact CE2-CG 4.34Å; F74-M334 HydrophobicContact CE2-SD 3.86Å; F74-M334 HydrophobicContact CZ-CB 4.38Å; F74-M334 HydrophobicContact CZ-CG 4.15Å; F74-M334 HydrophobicContact CZ-SD 4.17Å; F74-W336 HydrophobicContact CE2-CB 3.85Å; F74-W336 HydrophobicContact CZ-CB 4.24Å
75R94.3Very high92Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-56.3-54.7175-173.5-174.1170.2-78.2-4.8111.7L9 D13 V15 P29 A71 L72 S77 S78 A79 Y81L9-R75 HydrophobicContact CD1-CG 4.24Å; D13-R75 WeakPolarHBondContact O-CD 3.5Å; D13-R75 PolarHBondContact O-NE 2.85Å; V15-R75 HydrophobicContact CG2-CB 3.71Å; V15-R75 HydrophobicContact CG2-CG 3.98Å; P29-R75 PolarHBondContact O-NE 3.46Å; P29-R75 PolarHBondContact O-NH2 3.42Å; A71-R75 PolarHBondContact O-N 2.95Å; L72-R75 PolarHBondContact O-N 3.09Å; R75-S77 PolarHBondContact O-N 2.82Å; R75-S78 PolarHBondContact O-N 3.13Å; R75-A79 HydrophobicContact CG-CB 4.4Å; R75-A79 VanDerWaalsContact O-CB 3.3Å; R75-A79 WeakPolarHBondContact O-CB 3.43Å; R75-A79 PolarHBondContact O-N 2.87Å; R75-Y81 PolarHBondContact NH1-O 2.83Å; R75-Y81 VanDerWaalsContact NH1-O 3.09Å
76N94.6Very high92Very high8 Ų828.3 Ų28.34%0.04314%0.135CC..Hα-helixtrans-67.6-19.5-172.5-68.6-17000112.4L72 D73 S78 P82 F83 Q240L72-N76 WeakPolarHBondContact O-CB 3.3Å; L72-N76 PolarHBondContact O-N 3.47Å; L72-N76 PolarHBondContact O-ND2 2.9Å; D73-N76 PolarHBondContact O-N 2.89Å; N76-S78 PolarHBondContact O-N 2.93Å; N76-P82 HydrophobicContact CB-CB 4.05Å; N76-P82 VanDerWaalsContact OD1-CA 3.27Å; N76-P82 WeakPolarHBondContact OD1-CA 3.48Å; N76-F83 PolarHBondContact ND2-O 2.89Å; N76-F83 PolarHBondContact OD1-N 2.66Å; N76-Q240 WeakPolarHBondContact O-CG 3.49Å
77S92.1Very high91.8Very high23 Ų2326.1 Ų26.116%0.16113%0.129CC..THydrogen-bonded Turntrans-61.5-25.217578.40000113.9D73 F74 R75 K239 Q240 C241D73-S77 WeakPolarHBondContact O-CB 3.35Å; D73-S77 PolarHBondContact O-N 2.89Å; F74-S77 WeakPolarHBondContact O-CB 3.49Å; F74-S77 PolarHBondContact O-N 2.84Å; F74-S77 PolarHBondContact O-OG 3.44Å; R75-S77 PolarHBondContact O-N 2.82Å; S77-K239 WeakPolarHBondContact CA-O 3.38Å; S77-Q240 CarbonylContact O-C 3.53Å; S77-Q240 WeakPolarHBondContact O-CA 3.17Å; S77-C241 PolarHBondContact O-N 3.48Å
78S87.3Confident91.7Very high4 Ų425.3 Ų25.33%0.02813%0.125CC..THydrogen-bonded Turntrans-136.21.3-174.8-55.40000113.3R75 N76 W242 K333 M334R75-S78 PolarHBondContact O-N 3.13Å; N76-S78 PolarHBondContact O-N 2.93Å; S78-W242 WeakPolarHBondContact O-CH2 3.44Å; S78-K333 VanDerWaalsContact O-CE 3.29Å; S78-K333 WeakPolarHBondContact O-CE 3.25Å; S78-K333 PolarHBondContact O-NZ 2.79Å; S78-M334 WeakPolarHBondContact OG-CE 3.35Å
79A86.1Confident91.5Very high0 Ų025.7 Ų25.70%013%0.127CC..  trans-78.1142.717800000111.5R75 Q240R75-A79 HydrophobicContact CG-CB 4.4Å; R75-A79 VanDerWaalsContact O-CB 3.3Å; R75-A79 WeakPolarHBondContact O-CB 3.43Å; R75-A79 PolarHBondContact O-N 2.87Å; A79-Q240 PolarHBondContact O-NE2 3.3Å
80T81.9Confident91.3Very high65 Ų6526.4 Ų26.440%0.39913%0.134SC..SBendtrans-65.3-42.3173.4-540000110.9
81Y88.4Confident91Very high100 Ų10026.7 Ų26.739%0.39215%0.149SC..SBendtrans-120.2114.3176.2-59.2-79.9000109.9R75 R298 L300 W436R75-Y81 PolarHBondContact NH1-O 2.83Å; R75-Y81 VanDerWaalsContact NH1-O 3.09Å; Y81-R298 WeakPolarHBondContact CD1-O 3.35Å; Y81-L300 HydrophobicContact CG-CD2 4.33Å; Y81-W436 AromaticContact CD2-CE3 3.77Å; Y81-W436 HydrophobicContact CD2-CE3 3.77Å; Y81-W436 HydrophobicContact CD2-CH2 4.15Å; Y81-W436 AromaticContact CD2-CZ3 3.43Å; Y81-W436 HydrophobicContact CD2-CZ3 3.43Å; Y81-W436 VanDerWaalsContact CD2-CZ3 3.43Å; Y81-W436 HydrophobicContact CE2-CE3 4.21Å; Y81-W436 AromaticContact CE2-CZ3 3.71Å; Y81-W436 HydrophobicContact CE2-CZ3 3.71Å
82P93Very high90.7Very high0 Ų034.7 Ų34.70%019%0.186CC..  trans-71.6149.7-179.530.1-35.6000111N76 L84 R298 A299 L300N76-P82 HydrophobicContact CB-CB 4.05Å; N76-P82 VanDerWaalsContact OD1-CA 3.27Å; N76-P82 WeakPolarHBondContact OD1-CA 3.48Å; P82-L84 HydrophobicContact CB-CD1 4.31Å; P82-L84 HydrophobicContact CB-CD2 4.24Å; P82-L84 HydrophobicContact CB-CG 4Å; P82-L84 HydrophobicContact CG-CD1 4.05Å; P82-L84 HydrophobicContact CG-CG 4.22Å; P82-R298 WeakPolarHBondContact CD-O 3.08Å; P82-A299 CarbonylContact O-C 3.6Å; P82-A299 WeakPolarHBondContact O-CA 3.34Å; P82-L300 PolarHBondContact O-N 2.78Å
83F94.4Very high90.4Very high2 Ų240.5 Ų40.51%0.00921%0.208CC..  trans-96.3113.5167.1-178.6-91.4000108.7C30 T57 L72 N76 I88 L300 L302C30-F83 WeakPolarHBondContact O-CD2 3.36Å; T57-F83 HydrophobicContact CG2-CD1 4.05Å; T57-F83 HydrophobicContact CG2-CE1 3.42Å; T57-F83 VanDerWaalsContact CG2-CE1 3.42Å; T57-F83 HydrophobicContact CG2-CZ 4.14Å; L72-F83 HydrophobicContact CD1-CD1 4.21Å; L72-F83 HydrophobicContact CD2-CB 4.19Å; L72-F83 HydrophobicContact CD2-CD1 3.76Å; L72-F83 HydrophobicContact CD2-CG 4.35Å; N76-F83 PolarHBondContact ND2-O 2.89Å; N76-F83 PolarHBondContact OD1-N 2.66Å; F83-I88 HydrophobicContact CE1-CD1 4.46Å; F83-L300 HydrophobicContact CD2-CB 4.34Å; F83-L302 HydrophobicContact CZ-CD2 4.27Å
84L93.3Very high90.3Very high11 Ų1139.7 Ų39.76%0.05820%0.202CC..  trans-127.193.9-173.5-61.1179.3000109.9P82 I89 C149 V151 S152 T236 V238 A299P82-L84 HydrophobicContact CB-CD1 4.31Å; P82-L84 HydrophobicContact CB-CD2 4.24Å; P82-L84 HydrophobicContact CB-CG 4Å; P82-L84 HydrophobicContact CG-CD1 4.05Å; P82-L84 HydrophobicContact CG-CG 4.22Å; L84-I89 HydrophobicContact CB-CD1 4Å; L84-I89 HydrophobicContact CD2-CD1 4.37Å; L84-C149 HydrophobicContact CD1-CB 3.55Å; L84-C149 WeakPolarHBondContact CD1-SG 3.41Å; L84-V151 WeakPolarHBondContact O-CG1 3.14Å; L84-S152 VanDerWaalsContact O-CB 3.32Å; L84-S152 WeakPolarHBondContact O-CB 3.38Å; L84-S152 PolarHBondContact O-N 3.25Å; L84-T236 HydrophobicContact CD1-CG2 3.9Å; L84-T236 HydrophobicContact CD2-CG2 4.09Å; L84-T236 HydrophobicContact CG-CG2 4.49Å; L84-V238 HydrophobicContact CD1-CG2 3.69Å; L84-V238 HydrophobicContact CD2-CG2 4.15Å; L84-A299 HydrophobicContact CB-CB 3.93Å; L84-A299 HydrophobicContact CD1-CB 4.08Å; L84-A299 HydrophobicContact CG-CB 4.15Å
85S92.3Very high90.1Very high2 Ų242.9 Ų42.91%0.01422%0.215CC..BIsolated β-bridgetrans-92.4128.6176.1179.30000111.4H58 T87 I88 I89H58-S85 PolarHBondContact ND1-OG 2.68Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 PolarHBondContact OG-OG1 2.86Å; S85-I88 PolarHBondContact O-N 3.09Å; S85-I89 WeakPolarHBondContact O-CG1 3.33Å; S85-I89 PolarHBondContact O-N 3.04Å; S85-I89 VanDerWaalsContact O-N 3.13Å
86E89.9Confident89.9Confident55 Ų5548.5 Ų48.526%0.25724%0.242SC..THydrogen-bonded Turntrans-58.5-32.1177.8-175.3172.8-170.800113.3I88 K94 V151 Q153E86-I88 PolarHBondContact O-N 3.06Å; E86-K94 VanDerWaalsContact CG-NZ 3.34Å; E86-K94 VanDerWaalsContact O-CE 3.27Å; E86-K94 WeakPolarHBondContact O-CE 3.42Å; E86-K94 PolarHBondContact O-NZ 3.46Å; E86-K94 IonicContact OE1-NZ 3.05Å; E86-V151 VanDerWaalsContact CA-CG1 3.46Å; E86-V151 HydrophobicContact CB-CG1 3.63Å; E86-V151 HydrophobicContact CG-CG1 4.48Å; E86-Q153 WeakPolarHBondContact OE2-CG 3.3Å; E86-Q153 PolarHBondContact OE2-NE2 3.36Å
87T88.1Confident89.6Confident56 Ų5649.9 Ų49.934%0.34425%0.249SC..THydrogen-bonded Turntrans-74-12.7178.753.80000113.5H58 R65 S85H58-T87 WeakPolarHBondContact CE1-CG2 3.43Å; H58-T87 PolarHBondContact CE1-OG1 3Å; H58-T87 PolarHBondContact ND1-OG1 3.44Å; H58-T87 PolarHBondContact O-OG1 2.8Å; R65-T87 VanDerWaalsContact CZ-O 3.32Å; R65-T87 PolarHBondContact NE-O 3.05Å; R65-T87 PolarHBondContact NH2-O 2.79Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 PolarHBondContact OG-OG1 2.86Å
88I89.9Confident89.3Confident5 Ų555.5 Ų55.53%0.02627%0.27CS..THydrogen-bonded Turntrans-105.9-39.7-177.9-50.1177.1000109.5T57 V60 R65 L68 Q69 L72 F83 S85 E86 P90T57-I88 HydrophobicContact CG2-CD1 3.47Å; T57-I88 VanDerWaalsContact CG2-CD1 3.47Å; T57-I88 VanDerWaalsContact O-CD1 3.31Å; T57-I88 WeakPolarHBondContact O-CD1 3.5Å; V60-I88 HydrophobicContact CG1-CD1 4.32Å; V60-I88 HydrophobicContact CG1-CG1 4.14Å; R65-I88 HydrophobicContact CG-CG2 4.38Å; L68-I88 HydrophobicContact CD2-CD1 4.49Å; Q69-I88 HydrophobicContact CB-CG2 4.36Å; Q69-I88 VanDerWaalsContact OE1-CG2 3.22Å; Q69-I88 PolarHBondContact OE1-O 3.48Å; L72-I88 HydrophobicContact CD1-CD1 3.93Å; L72-I88 HydrophobicContact CD1-CG2 4.43Å; F83-I88 HydrophobicContact CE1-CD1 4.46Å; S85-I88 PolarHBondContact O-N 3.09Å; E86-I88 PolarHBondContact O-N 3.06Å; I88-P90 WeakPolarHBondContact O-CD 3.26Å
89I90.1Very high89.1Confident8 Ų861.4 Ų61.44%0.04130%0.3CS..SBendtrans-60.1123.9177.9-63.9164.9000109.8L84 S85 R93 K94 V151 T236L84-I89 HydrophobicContact CB-CD1 4Å; L84-I89 HydrophobicContact CD2-CD1 4.37Å; S85-I89 WeakPolarHBondContact O-CG1 3.33Å; S85-I89 PolarHBondContact O-N 3.04Å; S85-I89 VanDerWaalsContact O-N 3.13Å; I89-R93 HydrophobicContact CG2-CB 3.93Å; I89-K94 HydrophobicContact CG2-CG 3.96Å; I89-K94 WeakPolarHBondContact O-CE 3.15Å; I89-V151 HydrophobicContact CD1-CB 4.39Å; I89-V151 HydrophobicContact CD1-CG1 3.82Å; I89-V151 HydrophobicContact CD1-CG2 3.63Å; I89-T236 HydrophobicContact CD1-CG2 3.73Å
90P88.2Confident89.2Confident44 Ų4465.1 Ų65.129%0.28632%0.32SS..  trans-59.2146.3174.8-2332.5000112.1I88 E92 R93I88-P90 WeakPolarHBondContact O-CD 3.26Å; P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 2.88Å; P90-E92 VanDerWaalsContact O-N 3.17Å; P90-R93 PolarHBondContact O-N 3.16Å
91S87.1Confident89.5Confident89 Ų8962.9 Ų62.962%0.62231%0.305SS*.G310 helixtrans-59.2-30.4-177-62.50000112.8R93 K94S91-R93 PolarHBondContact O-N 3.26Å; S91-K94 PolarHBondContact O-N 2.9Å
92E90.3Very high89.4Confident167 Ų16760.5 Ų60.578%0.7830%0.301SS*.G310 helixtrans-68.3-23.9179.6-52.673.3-156.700112.5P90P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 2.88Å; P90-E92 VanDerWaalsContact O-N 3.17Å
93R88.8Confident89.4Confident126 Ų12665.6 Ų65.648%0.47533%0.325SS..G310 helixtrans-89.8-10.2178.1-63.9-171.9-178.2178.4-0.8112.7D73 I89 P90 S91 T236D73-R93 IonicContact OD2-NH1 2.95Å; D73-R93 PolarHBondContact OD2-NH1 3.13Å; I89-R93 HydrophobicContact CG2-CB 3.93Å; P90-R93 PolarHBondContact O-N 3.16Å; S91-R93 PolarHBondContact O-N 3.26Å; R93-T236 PolarHBondContact O-OG1 3.45Å
94K92.4Very high89.3Confident46 Ų4665.6 Ų65.620%0.233%0.325CS..EExtended strand (participates in β ladder)trans-81.5134.8-177.1-63.3-179.6-173.1-178.50111.2E86 I89 S91 V234 Y235E86-K94 VanDerWaalsContact CG-NZ 3.34Å; E86-K94 VanDerWaalsContact O-CE 3.27Å; E86-K94 WeakPolarHBondContact O-CE 3.42Å; E86-K94 PolarHBondContact O-NZ 3.46Å; E86-K94 IonicContact OE1-NZ 3.05Å; I89-K94 HydrophobicContact CG2-CG 3.96Å; I89-K94 WeakPolarHBondContact O-CE 3.15Å; S91-K94 PolarHBondContact O-N 2.9Å; K94-V234 HydrophobicContact CB-CG1 4.09Å; K94-V234 HydrophobicContact CD-CG1 4.17Å; K94-V234 HydrophobicContact CG-CG1 4.1Å; K94-Y235 CarbonylContact C-O 3.51Å; K94-Y235 WeakPolarHBondContact CA-O 3.29Å
95K90.6Very high89.2Confident90 Ų9072.1 Ų72.139%0.39135%0.349SS..EExtended strand (participates in β ladder)trans-119.2129.4171.8-68.7-168.7172.1-171.20109.5L148 V234 Y235 W237K95-L148 HydrophobicContact CD-CD1 3.89Å; K95-V234 CarbonylContact O-C 3.52Å; K95-V234 WeakPolarHBondContact O-CA 3.2Å; K95-Y235 PolarHBondContact N-O 2.83Å; K95-Y235 PolarHBondContact O-N 3.19Å; K95-W237 VanDerWaalsContact CE-NE1 3.34Å
96H89.8Confident89.1Confident118 Ų11872 Ų7255%0.54635%0.348SS..EExtended strand (participates in β ladder)trans-97.9117.7178-71.4-85.8000109.2T232H96-T232 HydrophobicContact CB-CG2 3.55Å
97I88.1Confident89.1Confident37 Ų3769.5 Ų69.519%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-129.6138.6-176.7-55-174.2000109I99 I101 L148 C233 Y235I97-I99 WeakPolarHBondContact CG2-O 3.34Å; I97-I101 HydrophobicContact CD1-CD1 3.65Å; I97-I101 HydrophobicContact CG2-CD1 4.18Å; I97-L148 HydrophobicContact CD1-CD2 3.23Å; I97-C233 PolarHBondContact N-O 3.39Å; I97-C233 WeakPolarHBondContact O-CA 3.35Å; I97-C233 WeakPolarHBondContact O-CB 3.35Å; I97-C233 PolarHBondContact O-N 3.11Å; I97-Y235 HydrophobicContact CB-CD2 3.9Å; I97-Y235 HydrophobicContact CB-CE2 4.05Å; I97-Y235 HydrophobicContact CD1-CD2 4.04Å; I97-Y235 HydrophobicContact CD1-CG 4.35Å; I97-Y235 HydrophobicContact CG1-CD2 4.05Å
98F85Confident88.9Confident140 Ų14068.6 Ų68.661%0.61433%0.333SS*.SBendtrans-84.6-11.5-175.7-64-74.8000114.3K230F98-K230 HydrophobicContact CD1-CB 4.26Å
99I84.3Confident88.3Confident129 Ų12972.3 Ų72.366%0.66235%0.352SS*.SBendtrans-121.4136.3-175.9-56.9173.7000107.8I97 I101I97-I99 WeakPolarHBondContact CG2-O 3.34Å; I99-I101 PolarHBondContact O-N 3.05Å
100D87.2Confident87.3Confident77 Ų7779.1 Ų79.141%0.41239%0.389SS..  trans-73.4121.6174.5-156.1-22.5000110.1K150 Y235D100-K150 IonicContact OD2-NZ 3.88Å; D100-K150 PolarHBondContact OD2-NZ 3.44Å; D100-Y235 VanDerWaalsContact CA-OH 3.25Å; D100-Y235 WeakPolarHBondContact CA-OH 3.38Å; D100-Y235 PolarHBondContact OD1-OH 3.28Å
101I87.6Confident86.3Confident18 Ų1879.3 Ų79.39%0.09239%0.389CS..  trans-97.6106.8178.2-57.3156.4000108.1I97 I99 H131 L148 Y235 L296I97-I101 HydrophobicContact CD1-CD1 3.65Å; I97-I101 HydrophobicContact CG2-CD1 4.18Å; I99-I101 PolarHBondContact O-N 3.05Å; I101-H131 HydrophobicContact CG2-CB 4.15Å; I101-L148 HydrophobicContact CD1-CD2 3.76Å; I101-Y235 HydrophobicContact CB-CE1 4.32Å; I101-Y235 PolarHBondContact N-OH 3.31Å; I101-L296 HydrophobicContact CG2-CD1 3.79Å
102T87.4Confident84.7Confident50 Ų5081.5 Ų81.531%0.30739%0.394SS..  trans-106.8-2017856.10000113.3L296T102-L296 PolarHBondContact O-N 2.77Å
103E92.8Very high83.2Confident108 Ų10876 Ų7651%0.50538%0.383SS..EExtended strand (participates in β ladder)trans-143.4149.4-172.5-63.2179.8-171.400110.1V293 S294 V295E103-V293 HydrophobicContact CB-CG1 3.86Å; E103-V293 HydrophobicContact CG-CG1 4.32Å; E103-V293 WeakPolarHBondContact OE2-CG1 3.32Å; E103-S294 CarbonylContact C-O 3.45Å; E103-S294 VanDerWaalsContact CA-O 3.29Å; E103-S294 WeakPolarHBondContact CA-O 3.5Å; E103-V295 HydrophobicContact CG-CG2 4.22Å
104V91.7Very high81.8Confident2 Ų276 Ų761%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-126.9146.8175.6-64.40000110.3W106 H131 A132 V293 S294 L296V104-W106 HydrophobicContact CG2-CZ2 4.26Å; V104-H131 HydrophobicContact CG1-CB 3.88Å; V104-A132 HydrophobicContact CB-CB 4.39Å; V104-A132 HydrophobicContact CG1-CB 4.09Å; V104-A132 HydrophobicContact CG2-CB 4.01Å; V104-V293 VanDerWaalsContact O-CA 3.3Å; V104-V293 WeakPolarHBondContact O-CA 3.16Å; V104-S294 PolarHBondContact N-O 3.09Å; V104-S294 PolarHBondContact O-N 2.86Å; V104-L296 HydrophobicContact CB-CD2 4.43Å; V104-L296 HydrophobicContact CG1-CD1 3.77Å; V104-L296 HydrophobicContact CG1-CD2 3.79Å; V104-L296 HydrophobicContact CG1-CG 3.91Å; V104-L296 HydrophobicContact CG2-CD2 3.79Å; V104-L296 HydrophobicContact CG2-CG 4.5Å
105R91.5Very high80.2Confident147 Ų14777 Ų7756%0.55540%0.403SS*.EExtended strand (participates in β ladder)trans-107.2128.1176.9-167-177-63.2150.41.5110.5S127 L128 M292 V293R105-S127 CarbonylContact O-C 3.52Å; R105-S127 WeakPolarHBondContact O-CA 3.42Å; R105-S127 WeakPolarHBondContact O-CB 3.4Å; R105-L128 HydrophobicContact CB-CD1 4.33Å; R105-L128 HydrophobicContact CG-CD1 3.95Å; R105-L128 PolarHBondContact O-N 2.84Å; R105-M292 WeakPolarHBondContact CA-O 3.03Å; R105-M292 HydrophobicContact CG-CE 4.32Å; R105-M292 HydrophobicContact CG-CG 4.05Å; R105-M292 HydrophobicContact CG-SD 4.39Å; R105-V293 HydrophobicContact CG-CG2 4.38Å
106W91.3Very high79.4Confident0 Ų074 Ų740%039%0.391CS..PPolyproline II helixtrans-88.1156.8178-64.8106.7000111.6V104 I125 A132 L134 W251 Y253 P254 L257 M292 S294V104-W106 HydrophobicContact CG2-CZ2 4.26Å; W106-I125 HydrophobicContact CE3-CG2 3.91Å; W106-I125 HydrophobicContact CZ3-CG2 4.15Å; W106-I125 WeakPolarHBondContact CZ3-O 3.21Å; W106-A132 HydrophobicContact CH2-CB 3.94Å; W106-A132 HydrophobicContact CZ2-CB 4.15Å; W106-L134 HydrophobicContact CH2-CB 4.41Å; W106-W251 AromaticContact CZ2-CE3 3.95Å; W106-W251 HydrophobicContact CZ2-CE3 3.95Å; W106-W251 AromaticContact CZ2-CZ3 3.76Å; W106-W251 HydrophobicContact CZ2-CZ3 3.76Å; W106-Y253 HydrophobicContact CB-CD1 3.69Å; W106-Y253 HydrophobicContact CB-CE1 3.6Å; W106-Y253 HydrophobicContact CG-CD1 4.09Å; W106-Y253 HydrophobicContact CG-CE1 4.48Å; W106-P254 HydrophobicContact CD2-CB 3.59Å; W106-P254 HydrophobicContact CD2-CG 4.04Å; W106-P254 HydrophobicContact CE3-CB 3.81Å; W106-P254 HydrophobicContact CG-CB 4.12Å; W106-P254 HydrophobicContact CG-CG 4.44Å; W106-P254 HydrophobicContact CH2-CB 3.96Å; W106-P254 HydrophobicContact CH2-CG 4.28Å; W106-P254 HydrophobicContact CZ2-CB 3.76Å; W106-P254 HydrophobicContact CZ2-CG 3.64Å; W106-P254 HydrophobicContact CZ3-CB 3.99Å; W106-L257 HydrophobicContact CB-CD1 4.43Å; W106-M292 PolarHBondContact N-O 3.46Å; W106-M292 WeakPolarHBondContact O-CE 3.4Å; W106-M292 WeakPolarHBondContact O-CG 3.47Å; W106-S294 PolarHBondContact NE1-OG 2.72Å
107P88.8Confident78.4Confident3 Ų371.5 Ų71.52%0.01939%0.386CS..PPolyproline II helixtrans-65.3154.5175.326.9-33.4000111.4T111 M115 I125 T126 L128 Y253 L257P107-T111 HydrophobicContact CB-CG2 4.3Å; P107-M115 HydrophobicContact CB-CB 4.48Å; P107-M115 HydrophobicContact CG-CB 4.45Å; P107-I125 HydrophobicContact CG-CG2 3.86Å; P107-T126 WeakPolarHBondContact CD-O 3.48Å; P107-L128 HydrophobicContact CB-CD2 4.24Å; P107-Y253 PolarHBondContact O-OH 3.47Å; P107-L257 HydrophobicContact CG-CD1 4.33Å; P107-L257 VanDerWaalsContact O-CD1 3.23Å; P107-L257 WeakPolarHBondContact O-CD1 3.43Å
108S84.3Confident77.4Confident36 Ų3673.4 Ų73.425%0.25240%0.395SS..PPolyproline II helixtrans-82.2165.4171.870.10000110.4D110 T111S108-D110 PolarHBondContact O-N 3.18Å; S108-T111 PolarHBondContact N-OG1 3.13Å; S108-T111 VanDerWaalsContact N-OG1 3.07Å; S108-T111 WeakPolarHBondContact O-CB 3.43Å; S108-T111 PolarHBondContact O-N 2.89Å; S108-T111 VanDerWaalsContact O-N 3.12Å; S108-T111 PolarHBondContact O-OG1 3.32Å; S108-T111 PolarHBondContact OG-N 3.41Å; S108-T111 PolarHBondContact OG-OG1 3.48Å
109L76.5Confident76.6Confident84 Ų8473.6 Ų73.644%0.4440%0.398SS..THydrogen-bonded Turntrans-59.2-28.1177.1-151.475.3000112.7L257 H260L109-L257 HydrophobicContact CD1-CD2 3.62Å; L109-H260 HydrophobicContact CD1-CB 4.43Å
110D70.8Confident75.8Confident150 Ų15072.1 Ų72.180%0.80240%0.399SS*.THydrogen-bonded Turntrans-92-1.4-177.5-49.1-52.9000113.4S108S108-D110 PolarHBondContact O-N 3.18Å
111T65.3Low75.2Confident48 Ų4869 Ų6929%0.29439%0.385SS..SBendtrans-77.6130.4-178.2-54.60000110.5P107 S108P107-T111 HydrophobicContact CB-CG2 4.3Å; S108-T111 PolarHBondContact N-OG1 3.13Å; S108-T111 VanDerWaalsContact N-OG1 3.07Å; S108-T111 WeakPolarHBondContact O-CB 3.43Å; S108-T111 PolarHBondContact O-N 2.89Å; S108-T111 VanDerWaalsContact O-N 3.12Å; S108-T111 PolarHBondContact O-OG1 3.32Å; S108-T111 PolarHBondContact OG-N 3.41Å; S108-T111 PolarHBondContact OG-OG1 3.48Å
112D55.1Low75.1Confident135 Ų13571.7 Ų71.772%0.72240%0.399SS*.  trans-54.2148.3-179.7-73.5-37.5000113.5T114D112-T114 PolarHBondContact O-N 2.83Å
113G58.9Low75.2Confident53 Ų5369.3 Ų69.355%0.54639%0.385SS..G310 helixtrans-61.49.1-166.700000118M115 I116G113-M115 VanDerWaalsContact C-N 3.28Å; G113-M115 PolarHBondContact O-N 2.98Å; G113-I116 PolarHBondContact O-N 3.06Å
114T57.8Low75.1Confident126 Ų12667.6 Ų67.677%0.77338%0.375SS*.G310 helixtrans-65.6-29.8177.9-41.20000112.7D112 I116D112-T114 PolarHBondContact O-N 2.83Å; T114-I116 VanDerWaalsContact C-N 3.34Å
115M60.8Low75.1Confident67 Ų6767.5 Ų67.533%0.3338%0.375SS..G310 helixtrans-92.32-179.1-60-60.5168.900113.5P107 G113 T126 L128P107-M115 HydrophobicContact CB-CB 4.48Å; P107-M115 HydrophobicContact CG-CB 4.45Å; G113-M115 VanDerWaalsContact C-N 3.28Å; G113-M115 PolarHBondContact O-N 2.98Å; M115-T126 PolarHBondContact O-N 2.83Å; M115-L128 HydrophobicContact CG-CD2 4.41Å
116I73.4Confident75.2Confident25 Ų2562 Ų6213%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-122.3101.6-176.8-56.4161000107.4G113 T114 V123 K124 I125 F261G113-I116 PolarHBondContact O-N 3.06Å; T114-I116 VanDerWaalsContact C-N 3.34Å; I116-V123 HydrophobicContact CG2-CG1 4.38Å; I116-K124 VanDerWaalsContact CA-O 3.31Å; I116-K124 WeakPolarHBondContact CA-O 3.17Å; I116-I125 HydrophobicContact CB-CD1 4.47Å; I116-I125 HydrophobicContact CG1-CD1 3.86Å; I116-I125 HydrophobicContact CG2-CD1 4.07Å; I116-F261 HydrophobicContact CD1-CD1 3.87Å; I116-F261 HydrophobicContact CD1-CD2 3.67Å; I116-F261 HydrophobicContact CD1-CE1 3.47Å; I116-F261 VanDerWaalsContact CD1-CE1 3.47Å; I116-F261 HydrophobicContact CD1-CE2 3.27Å; I116-F261 HydrophobicContact CD1-CG 3.99Å; I116-F261 HydrophobicContact CD1-CZ 3.17Å; I116-F261 HydrophobicContact CG1-CD2 4.36Å; I116-F261 HydrophobicContact CG1-CE2 4.24Å; I116-F261 HydrophobicContact CG2-CG 4.39Å
117C68.6Low75.2Confident67 Ų6762 Ų6245%0.45336%0.358SS..EExtended strand (participates in β ladder)trans-99.5134176.8-175.60000109.3K124C117-K124 HydrophobicContact CB-CB 4.35Å; C117-K124 PolarHBondContact N-O 2.8Å; C117-K124 WeakPolarHBondContact O-CB 3.45Å; C117-K124 PolarHBondContact O-N 2.63Å
118M67.7Low75.3Confident77 Ų7765.4 Ų65.438%0.37938%0.375SS..EExtended strand (participates in β ladder)trans-111.6120.7166.3-67.3-160.881.300109.5I122 V123 I265M118-I122 WeakPolarHBondContact CA-O 3.15Å; M118-V123 HydrophobicContact CE-CG2 3.52Å; M118-V123 HydrophobicContact CG-CG2 4.43Å; M118-V123 HydrophobicContact SD-CG2 4.29Å; M118-I265 HydrophobicContact CE-CD1 4.48Å; M118-I265 HydrophobicContact CG-CD1 4.45Å; M118-I265 HydrophobicContact SD-CD1 3.22Å; M118-I265 WeakPolarHBondContact SD-CD1 3.24Å; M118-I265 HydrophobicContact SD-CG1 4.42Å; M118-I265 HydrophobicContact SD-CG2 4.2Å
119E67.5Low75.4Confident144 Ų14466.7 Ų66.767%0.67338%0.379SS*.EExtended strand (participates in β ladder)trans-130120.3172.9-167.6171.1-164.900106.9G121 I122E119-G121 PolarHBondContact O-N 2.83Å; E119-I122 PolarHBondContact N-O 2.81Å; E119-I122 PolarHBondContact O-N 3.45Å
120S67.4Low76Confident97 Ų9764.4 Ų64.468%0.67838%0.376SS*.THydrogen-bonded Turntrans53.432.3176.7-55.40000114.3I122 R138S120-I122 VanDerWaalsContact C-N 3.34Å; S120-I122 PolarHBondContact O-N 2.98Å; S120-R138 VanDerWaalsContact C-NH2 3.28Å; S120-R138 PolarHBondContact O-NE 3.46Å; S120-R138 PolarHBondContact O-NH2 2.85Å
121G73.6Confident77.1Confident13 Ų1359.8 Ų59.813%0.13435%0.349CS..THydrogen-bonded Turntrans72.415.4-178.800000116.5E119 R138E119-G121 PolarHBondContact O-N 2.83Å; G121-R138 WeakPolarHBondContact O-CG 3.27Å; G121-R138 PolarHBondContact O-N 2.79Å
122I85.3Confident78.5Confident74 Ų7457.5 Ų57.538%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-85125.7162.3-57.3173.5000107.4M118 E119 S120 C135 L136M118-I122 WeakPolarHBondContact CA-O 3.15Å; E119-I122 PolarHBondContact N-O 2.81Å; E119-I122 PolarHBondContact O-N 3.45Å; S120-I122 VanDerWaalsContact C-N 3.34Å; S120-I122 PolarHBondContact O-N 2.98Å; I122-C135 HydrophobicContact CG2-CB 3.99Å; I122-L136 CarbonylContact C-O 3.51Å; I122-L136 WeakPolarHBondContact CA-O 3.39Å
123V89.4Confident80.3Confident0 Ų053.4 Ų53.40%031%0.31CS..EExtended strand (participates in β ladder)trans-88117.5171.1178.20000108.4I116 M118 I125 C135 L136 A258 F261 H262I116-V123 HydrophobicContact CG2-CG1 4.38Å; M118-V123 HydrophobicContact CE-CG2 3.52Å; M118-V123 HydrophobicContact CG-CG2 4.43Å; M118-V123 HydrophobicContact SD-CG2 4.29Å; V123-I125 HydrophobicContact CG1-CD1 3.96Å; V123-I125 HydrophobicContact CG1-CG1 4.43Å; V123-C135 WeakPolarHBondContact O-CA 3.46Å; V123-L136 HydrophobicContact CB-CB 4.43Å; V123-L136 PolarHBondContact N-O 3.41Å; V123-L136 PolarHBondContact O-N 3.48Å; V123-A258 HydrophobicContact CG1-CB 4.22Å; V123-F261 HydrophobicContact CG1-CB 4.28Å; V123-H262 HydrophobicContact CG2-CB 4.07Å
124K92.2Very high82Confident72 Ų7250.9 Ų50.931%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-108.2117.5176.2-178.9179.9175.2-178.70110.7I116 C117 Y133 L134I116-K124 VanDerWaalsContact CA-O 3.31Å; I116-K124 WeakPolarHBondContact CA-O 3.17Å; C117-K124 HydrophobicContact CB-CB 4.35Å; C117-K124 PolarHBondContact N-O 2.8Å; C117-K124 WeakPolarHBondContact O-CB 3.45Å; C117-K124 PolarHBondContact O-N 2.63Å; K124-Y133 HydrophobicContact CD-CD2 4.24Å; K124-Y133 VanDerWaalsContact CE-CD2 3.48Å; K124-Y133 HydrophobicContact CG-CD2 4.22Å; K124-L134 CarbonylContact C-O 3.6Å; K124-L134 VanDerWaalsContact CA-O 3.28Å; K124-L134 WeakPolarHBondContact CA-O 3.16Å
125I91.3Very high83.7Confident0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-101121.2172.7-52.3-58.3000108.3W106 P107 I116 V123 Y133 L134 L257 A258 F261W106-I125 HydrophobicContact CE3-CG2 3.91Å; W106-I125 HydrophobicContact CZ3-CG2 4.15Å; W106-I125 WeakPolarHBondContact CZ3-O 3.21Å; P107-I125 HydrophobicContact CG-CG2 3.86Å; I116-I125 HydrophobicContact CB-CD1 4.47Å; I116-I125 HydrophobicContact CG1-CD1 3.86Å; I116-I125 HydrophobicContact CG2-CD1 4.07Å; V123-I125 HydrophobicContact CG1-CD1 3.96Å; V123-I125 HydrophobicContact CG1-CG1 4.43Å; I125-Y133 CarbonylContact O-C 3.52Å; I125-Y133 WeakPolarHBondContact O-CA 3.37Å; I125-Y133 WeakPolarHBondContact O-CB 3.29Å; I125-L134 PolarHBondContact N-O 2.99Å; I125-L134 PolarHBondContact O-N 2.9Å; I125-L257 HydrophobicContact CG2-CD1 4.46Å; I125-A258 HydrophobicContact CD1-CB 4.46Å; I125-A258 HydrophobicContact CG1-CB 3.77Å; I125-F261 HydrophobicContact CD1-CD2 3.93Å
126T92.5Very high85.2Confident31 Ų3142.8 Ų42.819%0.1924%0.239CC..EExtended strand (participates in β ladder)trans-106.2140.8178.3-50.80000110.1P107 M115P107-T126 WeakPolarHBondContact CD-O 3.48Å; M115-T126 PolarHBondContact O-N 2.83Å
127S92.9Very high85.9Confident1 Ų143.2 Ų43.21%0.00724%0.244CC..  trans-66.1151.4173.671.90000110.7R105 D129 G130 H131 A132R105-S127 CarbonylContact O-C 3.52Å; R105-S127 WeakPolarHBondContact O-CA 3.42Å; R105-S127 WeakPolarHBondContact O-CB 3.4Å; S127-D129 WeakPolarHBondContact CB-OD1 3.37Å; S127-D129 PolarHBondContact O-N 2.9Å; S127-D129 PolarHBondContact OG-OD1 2.88Å; S127-G130 PolarHBondContact O-N 2.88Å; S127-G130 PolarHBondContact OG-N 2.77Å; S127-H131 PolarHBondContact OG-N 3.42Å; S127-A132 WeakPolarHBondContact CB-O 3.29Å; S127-A132 PolarHBondContact N-O 2.84Å; S127-A132 PolarHBondContact OG-N 3.27Å; S127-A132 PolarHBondContact OG-O 2.89Å; S127-A132 VanDerWaalsContact OG-O 3.12Å
128L89.2Confident86.6Confident74 Ų7447 Ų4739%0.38725%0.248SC..THydrogen-bonded Turntrans-62.6-26.6-175.7-65.1174.8000113R105 P107 M115 M292R105-L128 HydrophobicContact CB-CD1 4.33Å; R105-L128 HydrophobicContact CG-CD1 3.95Å; R105-L128 PolarHBondContact O-N 2.84Å; P107-L128 HydrophobicContact CB-CD2 4.24Å; M115-L128 HydrophobicContact CG-CD2 4.41Å; L128-M292 HydrophobicContact CD1-CE 4.23Å
129D88.1Confident87.2Confident62 Ų6244.3 Ų44.333%0.33224%0.237SC..THydrogen-bonded Turntrans-92.9-4.6176.961.2-17.5000113.3S127 H131S127-D129 WeakPolarHBondContact CB-OD1 3.37Å; S127-D129 PolarHBondContact O-N 2.9Å; S127-D129 PolarHBondContact OG-OD1 2.88Å; D129-H131 PolarHBondContact O-N 2.59Å; D129-H131 IonicContact OD2-CE1 2.78Å; D129-H131 IonicContact OD2-CG 2.77Å; D129-H131 IonicContact OD2-ND1 2.61Å; D129-H131 PolarHBondContact OD2-ND1 2.93Å
130G89.4Confident88.1Confident36 Ų3640.1 Ų40.137%0.37122%0.218SC..SBendtrans70.711.3177.300000115.2S127S127-G130 PolarHBondContact O-N 2.88Å; S127-G130 PolarHBondContact OG-N 2.77Å
131H92.1Very high88.9Confident53 Ų5336.1 Ų36.125%0.24519%0.188CC..SBendtrans-89.6-9.5-179.5-56.7132.6000113.8I101 V104 S127 D129 F147 L148 W237I101-H131 HydrophobicContact CG2-CB 4.15Å; V104-H131 HydrophobicContact CG1-CB 3.88Å; S127-H131 PolarHBondContact OG-N 3.42Å; D129-H131 PolarHBondContact O-N 2.59Å; D129-H131 IonicContact OD2-CE1 2.78Å; D129-H131 IonicContact OD2-CG 2.77Å; D129-H131 IonicContact OD2-ND1 2.61Å; D129-H131 PolarHBondContact OD2-ND1 2.93Å; H131-F147 WeakPolarHBondContact O-CA 3.25Å; H131-L148 HydrophobicContact CB-CB 4.42Å; H131-L148 WeakPolarHBondContact O-CB 3.01Å; H131-L148 PolarHBondContact O-N 2.92Å; H131-W237 WeakPolarHBondContact O-CZ3 3.4Å
132A94.7Very high89.7Confident0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-145.6154.2172.100000111.9V104 W106 S127 H146 F147 L296V104-A132 HydrophobicContact CB-CB 4.39Å; V104-A132 HydrophobicContact CG1-CB 4.09Å; V104-A132 HydrophobicContact CG2-CB 4.01Å; W106-A132 HydrophobicContact CH2-CB 3.94Å; W106-A132 HydrophobicContact CZ2-CB 4.15Å; S127-A132 WeakPolarHBondContact CB-O 3.29Å; S127-A132 PolarHBondContact N-O 2.84Å; S127-A132 PolarHBondContact OG-N 3.27Å; S127-A132 PolarHBondContact OG-O 2.89Å; S127-A132 VanDerWaalsContact OG-O 3.12Å; A132-H146 CarbonylContact C-O 3.54Å; A132-H146 WeakPolarHBondContact CA-O 3.31Å; A132-F147 HydrophobicContact CB-CB 3.92Å; A132-L296 HydrophobicContact CB-CD2 4.47Å
133Y94.4Very high90.1Very high49 Ų4934.3 Ų34.319%0.19218%0.175CC..EExtended strand (participates in β ladder)trans-149.9147.8167.663.3-92.2000111.4K124 I125 H146 W237K124-Y133 HydrophobicContact CD-CD2 4.24Å; K124-Y133 VanDerWaalsContact CE-CD2 3.48Å; K124-Y133 HydrophobicContact CG-CD2 4.22Å; I125-Y133 CarbonylContact O-C 3.52Å; I125-Y133 WeakPolarHBondContact O-CA 3.37Å; I125-Y133 WeakPolarHBondContact O-CB 3.29Å; Y133-H146 HydrophobicContact CD1-CB 3.87Å; Y133-H146 HydrophobicContact CD2-CB 4.02Å; Y133-H146 HydrophobicContact CE1-CB 3.4Å; Y133-H146 VanDerWaalsContact CE1-CB 3.4Å; Y133-H146 AromaticContact CE1-CG 3.98Å; Y133-H146 HydrophobicContact CE2-CB 3.58Å; Y133-H146 AromaticContact CE2-CD2 3.22Å; Y133-H146 WeakPolarHBondContact CE2-CD2 3.36Å; Y133-H146 AromaticContact CE2-CG 3.48Å; Y133-H146 VanDerWaalsContact CE2-CG 3.48Å; Y133-H146 AromaticContact CE2-NE2 3.99Å; Y133-H146 HydrophobicContact CG-CB 4.16Å; Y133-H146 AromaticContact CZ-CD2 3.52Å; Y133-H146 AromaticContact CZ-CG 3.27Å; Y133-H146 AromaticContact CZ-ND1 3.85Å; Y133-H146 PolarHBondContact N-O 2.95Å; Y133-H146 PolarHBondContact O-N 3.36Å; Y133-H146 PolarHBondContact OH-CD2 3.5Å; Y133-H146 PolarHBondContact OH-ND1 3.14Å; Y133-W237 HydrophobicContact CD1-CH2 4.09Å; Y133-W237 HydrophobicContact CD1-CZ3 4.02Å; Y133-W237 HydrophobicContact CE1-CE3 4.39Å; Y133-W237 HydrophobicContact CE1-CH2 4.09Å; Y133-W237 AromaticContact CE1-CZ3 3.93Å; Y133-W237 HydrophobicContact CE1-CZ3 3.93Å
134L94.9Very high90.3Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-110.9133.6175.9-176.6151.9000109.1W106 K124 I125 L136 F143 T144 V145 P254 L255 A258W106-L134 HydrophobicContact CH2-CB 4.41Å; K124-L134 CarbonylContact C-O 3.6Å; K124-L134 VanDerWaalsContact CA-O 3.28Å; K124-L134 WeakPolarHBondContact CA-O 3.16Å; I125-L134 PolarHBondContact N-O 2.99Å; I125-L134 PolarHBondContact O-N 2.9Å; L134-L136 HydrophobicContact CD2-CB 4.2Å; L134-F143 HydrophobicContact CD1-CD2 3.57Å; L134-F143 HydrophobicContact CD1-CE2 3.84Å; L134-F143 HydrophobicContact CD1-CG 4.46Å; L134-F143 HydrophobicContact CD2-CB 4.43Å; L134-F143 HydrophobicContact CD2-CD2 4.44Å; L134-F143 HydrophobicContact CG-CD2 3.89Å; L134-T144 CarbonylContact C-O 3.25Å; L134-T144 WeakPolarHBondContact CA-O 3.42Å; L134-V145 HydrophobicContact CB-CG2 4.44Å; L134-V145 HydrophobicContact CD1-CG2 3.97Å; L134-V145 HydrophobicContact CG-CG2 4.13Å; L134-P254 HydrophobicContact CB-CB 4.39Å; L134-P254 HydrophobicContact CD1-CB 4.04Å; L134-P254 HydrophobicContact CD1-CG 4.15Å; L134-L255 HydrophobicContact CD1-CB 4.12Å; L134-A258 HydrophobicContact CD2-CB 3.74Å
135C93.2Very high90.4Very high23 Ų2331.8 Ų31.816%0.15517%0.166CC..EExtended strand (participates in β ladder)trans-114.6121.5174.2-63.60000109.6I122 V123 F143 T144I122-C135 HydrophobicContact CG2-CB 3.99Å; V123-C135 WeakPolarHBondContact O-CA 3.46Å; C135-F143 WeakPolarHBondContact O-CA 3.33Å; C135-T144 PolarHBondContact N-O 3.33Å; C135-T144 PolarHBondContact O-N 2.78Å
136L91.6Very high90.6Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-110.5110.2174.7-17867.5000109.4I122 V123 L134 Q140 F143 V244 L255 A258 L259I122-L136 CarbonylContact C-O 3.51Å; I122-L136 WeakPolarHBondContact CA-O 3.39Å; V123-L136 HydrophobicContact CB-CB 4.43Å; V123-L136 PolarHBondContact N-O 3.41Å; V123-L136 PolarHBondContact O-N 3.48Å; L134-L136 HydrophobicContact CD2-CB 4.2Å; L136-Q140 HydrophobicContact CD2-CG 4.39Å; L136-F143 HydrophobicContact CD1-CB 3.99Å; L136-V244 HydrophobicContact CD1-CG2 4.15Å; L136-L255 HydrophobicContact CD1-CD1 4.18Å; L136-A258 HydrophobicContact CB-CB 3.94Å; L136-A258 HydrophobicContact CD2-CB 3.84Å; L136-L259 HydrophobicContact CD2-CD2 3.77Å; L136-L259 HydrophobicContact CD2-CG 4.04Å
137P88.2Confident90.8Very high35 Ų3532 Ų3223%0.22716%0.164CC..  trans-66.6162.4174-17.731.9000112.9S139 Q140 E142P137-S139 PolarHBondContact O-N 3.46Å; P137-S139 VanDerWaalsContact O-N 3.08Å; P137-Q140 PolarHBondContact O-N 3.18Å; P137-E142 WeakPolarHBondContact CD-O 3.37Å
138R82.4Confident90.8Very high145 Ų14532 Ų3255%0.54716%0.164SC..THydrogen-bonded Turntrans-50.9-33.2176.2-68.3-175.4168.6149.37.1114.1S120 G121 Q140 I378S120-R138 VanDerWaalsContact C-NH2 3.28Å; S120-R138 PolarHBondContact O-NE 3.46Å; S120-R138 PolarHBondContact O-NH2 2.85Å; G121-R138 WeakPolarHBondContact O-CG 3.27Å; G121-R138 PolarHBondContact O-N 2.79Å; R138-Q140 VanDerWaalsContact C-N 3.25Å; R138-Q140 PolarHBondContact O-N 2.78Å; R138-I378 HydrophobicContact CB-CD1 3.7Å
139S80.4Confident91.1Very high22 Ų2228.6 Ų28.615%0.15415%0.146CC..THydrogen-bonded Turntrans-69.1-20.9-177.3650000113.9P137 H141P137-S139 PolarHBondContact O-N 3.46Å; P137-S139 VanDerWaalsContact O-N 3.08Å; S139-H141 PolarHBondContact O-CD2 3.46Å; S139-H141 PolarHBondContact O-N 3.11Å
140Q86.3Confident91.3Very high56 Ų5629.2 Ų29.226%0.26215%0.146SC..  trans51.724.1180-57.4174.53300114.3L136 P137 R138 V244 L259 H262L136-Q140 HydrophobicContact CD2-CG 4.39Å; P137-Q140 PolarHBondContact O-N 3.18Å; R138-Q140 VanDerWaalsContact C-N 3.25Å; R138-Q140 PolarHBondContact O-N 2.78Å; Q140-V244 WeakPolarHBondContact O-CG2 3.28Å; Q140-L259 HydrophobicContact CG-CD2 4.49Å; Q140-H262 PolarHBondContact NE2-CD2 2.92Å; Q140-H262 VanDerWaalsContact NE2-CD2 3.3Å; Q140-H262 PolarHBondContact NE2-CE1 3.41Å; Q140-H262 VanDerWaalsContact NE2-CG 3.29Å; Q140-H262 PolarHBondContact NE2-ND1 3.08Å; Q140-H262 VanDerWaalsContact NE2-ND1 3.1Å; Q140-H262 PolarHBondContact NE2-NE2 2.93Å
141H84.8Confident91.5Very high12 Ų1227.8 Ų27.86%0.05613%0.13CC..SBendtrans-98.5-36-179.3-72.6-60.2000112.7S139 V244 V361 K363 Y376 R385S139-H141 PolarHBondContact O-CD2 3.46Å; S139-H141 PolarHBondContact O-N 3.11Å; H141-V244 PolarHBondContact O-N 3.13Å; H141-V361 HydrophobicContact CB-CG1 3.95Å; H141-V361 WeakPolarHBondContact CD2-CG1 3.35Å; H141-V361 WeakPolarHBondContact NE2-CG1 3.22Å; H141-K363 WeakPolarHBondContact ND1-CE 3.29Å; H141-K363 PolarHBondContact ND1-NZ 2.95Å; H141-Y376 AromaticContact CE1-CD2 3.56Å; H141-Y376 AromaticContact CE1-CG 3.53Å; H141-Y376 WeakPolarHBondContact NE2-CB 3.5Å; H141-Y376 AromaticContact NE2-CD1 3.89Å; H141-Y376 AromaticContact NE2-CD2 3.71Å; H141-Y376 AromaticContact NE2-CG 3.3Å; H141-Y376 VanDerWaalsContact NE2-CG 3.3Å; H141-R385 PolarHBondContact CE1-NH2 2.77Å; H141-R385 PolarHBondContact NE2-NH2 2.86Å
142E90.9Very high91.4Very high49 Ų4926 Ų2623%0.22912%0.124CC..EExtended strand (participates in β ladder)trans-131.6159.217162.3175.1-163.900109.9P137 C241 W242 R343 Y355P137-E142 WeakPolarHBondContact CD-O 3.37Å; E142-C241 PolarHBondContact OE2-SG 3.31Å; E142-C241 VanDerWaalsContact OE2-SG 3.33Å; E142-W242 CarbonylContact C-O 3.58Å; E142-W242 VanDerWaalsContact CA-O 3.22Å; E142-W242 WeakPolarHBondContact CA-O 3.5Å; E142-W242 WeakPolarHBondContact CB-O 3.27Å; E142-R343 IonicContact OE2-CZ 2.75Å; E142-R343 IonicContact OE2-NH1 3.51Å; E142-R343 PolarHBondContact OE2-NH1 2.77Å; E142-R343 IonicContact OE2-NH2 3.95Å; E142-R343 PolarHBondContact OE2-NH2 3Å; E142-Y355 HydrophobicContact CB-CE1 4.38Å; E142-Y355 HydrophobicContact CG-CE1 4.1Å
143F92.6Very high90.9Very high0 Ų029.7 Ų29.70%014%0.141CC..EExtended strand (participates in β ladder)trans-133.8152.3172.967.4-82.6000109.2L134 C135 L136 V145 W242 V244 C247 W251 L255L134-F143 HydrophobicContact CD1-CD2 3.57Å; L134-F143 HydrophobicContact CD1-CE2 3.84Å; L134-F143 HydrophobicContact CD1-CG 4.46Å; L134-F143 HydrophobicContact CD2-CB 4.43Å; L134-F143 HydrophobicContact CD2-CD2 4.44Å; L134-F143 HydrophobicContact CG-CD2 3.89Å; C135-F143 WeakPolarHBondContact O-CA 3.33Å; L136-F143 HydrophobicContact CD1-CB 3.99Å; F143-V145 HydrophobicContact CD2-CG2 3.66Å; F143-V145 HydrophobicContact CE2-CG2 3.49Å; F143-V145 VanDerWaalsContact CE2-CG2 3.49Å; F143-W242 HydrophobicContact CD1-CB 4.18Å; F143-W242 WeakPolarHBondContact CD1-O 3.31Å; F143-W242 HydrophobicContact CE1-CB 3.52Å; F143-W242 HydrophobicContact CE2-CB 4.04Å; F143-W242 HydrophobicContact CE2-CG 4.45Å; F143-W242 HydrophobicContact CZ-CB 3.45Å; F143-W242 VanDerWaalsContact CZ-CB 3.45Å; F143-W242 HydrophobicContact CZ-CG 4.08Å; F143-W242 PolarHBondContact N-O 3.42Å; F143-W242 PolarHBondContact O-N 2.67Å; F143-V244 HydrophobicContact CD1-CG2 3.9Å; F143-C247 HydrophobicContact CE1-CB 4.02Å; F143-C247 HydrophobicContact CZ-CB 4.04Å; F143-C247 WeakPolarHBondContact CZ-SG 3.47Å; F143-W251 HydrophobicContact CE2-CB 4.02Å; F143-W251 HydrophobicContact CZ-CB 4.29Å; F143-L255 HydrophobicContact CB-CD1 4.26Å; F143-L255 HydrophobicContact CD1-CD1 3.88Å; F143-L255 HydrophobicContact CD1-CD2 4.08Å; F143-L255 HydrophobicContact CE1-CD1 4.34Å; F143-L255 HydrophobicContact CE1-CD2 3.74Å; F143-L255 HydrophobicContact CG-CD1 3.98Å; F143-L255 HydrophobicContact CZ-CD2 4.2Å
144T94.3Very high90.2Very high20 Ų2033.1 Ų33.112%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-109.7135.1176.1-59.80000109.2L134 C135 H146 K239 Q240L134-T144 CarbonylContact C-O 3.25Å; L134-T144 WeakPolarHBondContact CA-O 3.42Å; C135-T144 PolarHBondContact N-O 3.33Å; C135-T144 PolarHBondContact O-N 2.78Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; T144-K239 HydrophobicContact CG2-CD 4.02Å; T144-K239 VanDerWaalsContact CG2-CE 3.42Å; T144-K239 HydrophobicContact CG2-CG 3.51Å; T144-Q240 CarbonylContact C-O 3.51Å; T144-Q240 WeakPolarHBondContact CA-O 3.18Å; T144-Q240 WeakPolarHBondContact CG2-O 3.39Å
145V94.9Very high88.5Confident0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-112.9134169.3-173.30000109.1L134 F143 F147 K239 Q240 W251L134-V145 HydrophobicContact CB-CG2 4.44Å; L134-V145 HydrophobicContact CD1-CG2 3.97Å; L134-V145 HydrophobicContact CG-CG2 4.13Å; F143-V145 HydrophobicContact CD2-CG2 3.66Å; F143-V145 HydrophobicContact CE2-CG2 3.49Å; F143-V145 VanDerWaalsContact CE2-CG2 3.49Å; V145-F147 HydrophobicContact CG1-CD1 4.25Å; V145-K239 WeakPolarHBondContact O-CA 2.98Å; V145-Q240 PolarHBondContact N-O 3.09Å; V145-Q240 PolarHBondContact O-N 3.33Å; V145-W251 HydrophobicContact CB-CD2 4.39Å; V145-W251 HydrophobicContact CG1-CD2 3.9Å; V145-W251 HydrophobicContact CG1-CE3 3.86Å; V145-W251 HydrophobicContact CG1-CH2 3.72Å; V145-W251 HydrophobicContact CG1-CZ2 3.75Å; V145-W251 HydrophobicContact CG1-CZ3 3.79Å; V145-W251 HydrophobicContact CG2-CB 4.42Å; V145-W251 HydrophobicContact CG2-CD2 4Å; V145-W251 HydrophobicContact CG2-CE3 4.48Å; V145-W251 HydrophobicContact CG2-CG 3.97Å
146H95.6Very high86Confident34 Ų3443.7 Ų43.716%0.15722%0.221CC..EExtended strand (participates in β ladder)trans-113.9127.3168.9-69.1-103.6000108.6A132 Y133 T144 W237 V238A132-H146 CarbonylContact C-O 3.54Å; A132-H146 WeakPolarHBondContact CA-O 3.31Å; Y133-H146 HydrophobicContact CD1-CB 3.87Å; Y133-H146 HydrophobicContact CD2-CB 4.02Å; Y133-H146 HydrophobicContact CE1-CB 3.4Å; Y133-H146 VanDerWaalsContact CE1-CB 3.4Å; Y133-H146 AromaticContact CE1-CG 3.98Å; Y133-H146 HydrophobicContact CE2-CB 3.58Å; Y133-H146 AromaticContact CE2-CD2 3.22Å; Y133-H146 WeakPolarHBondContact CE2-CD2 3.36Å; Y133-H146 AromaticContact CE2-CG 3.48Å; Y133-H146 VanDerWaalsContact CE2-CG 3.48Å; Y133-H146 AromaticContact CE2-NE2 3.99Å; Y133-H146 HydrophobicContact CG-CB 4.16Å; Y133-H146 AromaticContact CZ-CD2 3.52Å; Y133-H146 AromaticContact CZ-CG 3.27Å; Y133-H146 AromaticContact CZ-ND1 3.85Å; Y133-H146 PolarHBondContact N-O 2.95Å; Y133-H146 PolarHBondContact O-N 3.36Å; Y133-H146 PolarHBondContact OH-CD2 3.5Å; Y133-H146 PolarHBondContact OH-ND1 3.14Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; H146-W237 HydrophobicContact CB-CE3 4.1Å; H146-W237 HydrophobicContact CB-CZ3 4.26Å; H146-V238 VanDerWaalsContact CA-O 3.29Å; H146-V238 WeakPolarHBondContact CA-O 2.97Å
147F94.9Very high83.5Confident0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-142.4156.2177.263.6-84.4000110.7H131 A132 V145 C149 V238 Q240 W251 L296 P297H131-F147 WeakPolarHBondContact O-CA 3.25Å; A132-F147 HydrophobicContact CB-CB 3.92Å; V145-F147 HydrophobicContact CG1-CD1 4.25Å; F147-C149 HydrophobicContact CD2-CB 4.15Å; F147-C149 HydrophobicContact CE2-CB 3.78Å; F147-V238 HydrophobicContact CE1-CB 4.03Å; F147-V238 HydrophobicContact CE1-CG1 3.98Å; F147-V238 HydrophobicContact CE2-CB 4.11Å; F147-V238 HydrophobicContact CE2-CG2 4.42Å; F147-V238 HydrophobicContact CZ-CB 3.8Å; F147-V238 HydrophobicContact CZ-CG1 3.78Å; F147-V238 HydrophobicContact CZ-CG2 4.45Å; F147-V238 PolarHBondContact N-O 3.01Å; F147-V238 VanDerWaalsContact N-O 3.08Å; F147-V238 PolarHBondContact O-N 3.49Å; F147-Q240 HydrophobicContact CE1-CG 3.93Å; F147-W251 HydrophobicContact CB-CH2 4.06Å; F147-W251 AromaticContact CD1-CH2 3.99Å; F147-W251 HydrophobicContact CD1-CH2 3.99Å; F147-W251 AromaticContact CD1-CZ2 3.74Å; F147-W251 HydrophobicContact CD1-CZ2 3.74Å; F147-W251 HydrophobicContact CE1-CZ2 4.08Å; F147-W251 HydrophobicContact CG-CH2 4.08Å; F147-W251 HydrophobicContact CG-CZ2 4.22Å; F147-L296 HydrophobicContact CB-CD2 3.89Å; F147-L296 HydrophobicContact CD2-CD2 4.32Å; F147-L296 HydrophobicContact CG-CD2 4.35Å; F147-P297 HydrophobicContact CE1-CG 4.26Å; F147-P297 HydrophobicContact CE2-CB 3.86Å; F147-P297 HydrophobicContact CE2-CG 3.86Å; F147-P297 HydrophobicContact CZ-CB 3.83Å; F147-P297 HydrophobicContact CZ-CG 3.66Å
148L94.4Very high80.8Confident2 Ų253.4 Ų53.41%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-84.9121.3177.8-160.475.3000110.1K95 I97 I101 H131 Y235 W237 L296K95-L148 HydrophobicContact CD-CD1 3.89Å; I97-L148 HydrophobicContact CD1-CD2 3.23Å; I101-L148 HydrophobicContact CD1-CD2 3.76Å; H131-L148 HydrophobicContact CB-CB 4.42Å; H131-L148 WeakPolarHBondContact O-CB 3.01Å; H131-L148 PolarHBondContact O-N 2.92Å; L148-Y235 HydrophobicContact CB-CD1 4.48Å; L148-Y235 HydrophobicContact CD2-CD1 3.72Å; L148-Y235 HydrophobicContact CD2-CD2 4.43Å; L148-Y235 HydrophobicContact CD2-CG 3.69Å; L148-Y235 HydrophobicContact CG-CD1 3.66Å; L148-Y235 HydrophobicContact CG-CG 3.89Å; L148-W237 HydrophobicContact CD1-CD2 4.23Å; L148-W237 HydrophobicContact CD1-CG 4.35Å; L148-L296 WeakPolarHBondContact O-CD1 3.3Å
149C94.1Very high78.4Confident2 Ų251.2 Ų51.21%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-119.1135.9-178.4-168.80000110.9L84 F147 V151 Y235 T236 V238 P297L84-C149 HydrophobicContact CD1-CB 3.55Å; L84-C149 WeakPolarHBondContact CD1-SG 3.41Å; F147-C149 HydrophobicContact CD2-CB 4.15Å; F147-C149 HydrophobicContact CE2-CB 3.78Å; C149-V151 PolarHBondContact O-N 3.15Å; C149-Y235 WeakPolarHBondContact O-CA 3.45Å; C149-Y235 WeakPolarHBondContact O-CD1 3.22Å; C149-T236 PolarHBondContact N-O 3.37Å; C149-T236 PolarHBondContact O-N 2.99Å; C149-V238 HydrophobicContact CB-CG2 3.55Å; C149-P297 PolarHBondContact SG-O 3Å
150K93.7Very high75.8Confident76 Ų7653.3 Ų53.333%0.3333%0.327SS..EExtended strand (participates in β ladder)trans-67129.4178.2-167.9178.6-172172.20109.2D100 C233 Y235 A299D100-K150 IonicContact OD2-NZ 3.88Å; D100-K150 PolarHBondContact OD2-NZ 3.44Å; K150-C233 VanDerWaalsContact CE-SG 3.58Å; K150-Y235 HydrophobicContact CB-CD1 4.13Å; K150-Y235 HydrophobicContact CB-CE1 3.59Å; K150-Y235 HydrophobicContact CG-CE1 4.26Å; K150-Y235 VanDerWaalsContact N-CD1 3.29Å; K150-A299 WeakPolarHBondContact O-CB 3.22Å
151V92.3Very high73.2Confident5 Ų559.4 Ų59.43%0.0336%0.361CS..PPolyproline II helixtrans-75.9140.3179179.60000109.4L84 E86 I89 C149 Q153 V234 T236L84-V151 WeakPolarHBondContact O-CG1 3.14Å; E86-V151 VanDerWaalsContact CA-CG1 3.46Å; E86-V151 HydrophobicContact CB-CG1 3.63Å; E86-V151 HydrophobicContact CG-CG1 4.48Å; I89-V151 HydrophobicContact CD1-CB 4.39Å; I89-V151 HydrophobicContact CD1-CG1 3.82Å; I89-V151 HydrophobicContact CD1-CG2 3.63Å; C149-V151 PolarHBondContact O-N 3.15Å; V151-Q153 PolarHBondContact O-N 2.8Å; V151-V234 HydrophobicContact CB-CB 4.37Å; V151-V234 HydrophobicContact CB-CG1 4.23Å; V151-V234 WeakPolarHBondContact CB-O 3.28Å; V151-V234 HydrophobicContact CG2-CG1 4.04Å; V151-V234 PolarHBondContact N-O 3.22Å; V151-T236 HydrophobicContact CG2-CG2 4.01Å
152S90.9Very high70.5Confident17 Ų1763.6 Ų63.612%0.11939%0.391CS..BIsolated β-bridgetrans-73.6116.4173.8-58.60000109.3L84 A299 L300L84-S152 VanDerWaalsContact O-CB 3.32Å; L84-S152 WeakPolarHBondContact O-CB 3.38Å; L84-S152 PolarHBondContact O-N 3.25Å; S152-A299 WeakPolarHBondContact OG-CB 3.32Å; S152-L300 WeakPolarHBondContact CB-O 2.95Å; S152-L300 PolarHBondContact OG-O 3.31Å
153Q84.9Confident67.7Low77 Ų7765 Ų6536%0.3642%0.419SS..  trans-107.1158.4179.2-56.8-173-7300110E86 V151 S155E86-Q153 WeakPolarHBondContact OE2-CG 3.3Å; E86-Q153 PolarHBondContact OE2-NE2 3.36Å; V151-Q153 PolarHBondContact O-N 2.8Å; Q153-S155 PolarHBondContact O-N 3.07Å
154K77.9Confident64.5Low120 Ų12069.9 Ų69.952%0.52245%0.449SS..  trans-67.4129.8165.7-75.9178.7173.6158.80107.4H58 D156 L302H58-K154 WeakPolarHBondContact NE2-CE 3.12Å; H58-K154 PolarHBondContact NE2-NZ 3.26Å; H58-K154 VanDerWaalsContact NE2-NZ 3.18Å; K154-D156 PolarHBondContact O-N 3.05Å; K154-D156 VanDerWaalsContact O-N 3.13Å; K154-L302 HydrophobicContact CG-CD1 3.96Å
155S59.7Low61.3Low107 Ų10776.5 Ų76.575%0.74848%0.483SS*.  trans-66110.116430.80000107.5Q153 S157Q153-S155 PolarHBondContact O-N 3.07Å; S155-S157 PolarHBondContact O-N 2.93Å
156D40.2Very low58Low139 Ų13983.3 Ų83.374%0.74352%0.52SS*.  trans-58.5112.1164.5-70.2-32.3000106.5K154 S158K154-D156 PolarHBondContact O-N 3.05Å; K154-D156 VanDerWaalsContact O-N 3.13Å; D156-S158 PolarHBondContact O-N 3.33Å
157S39Very low54.8Low131 Ų13191.1 Ų91.192%0.91655%0.553SS**THydrogen-bonded Turntrans-74.274.8-179.7-6.40000107.7S155S155-S157 PolarHBondContact O-N 2.93Å
158S33.4Very low51.4Low108 Ų10895.6 Ų95.676%0.75559%0.59SS**THydrogen-bonded Turntrans-134.9-1168.276.20000113.9D156 G160D156-S158 PolarHBondContact O-N 3.33Å; S158-G160 PolarHBondContact O-N 2.8Å; S158-G160 VanDerWaalsContact O-N 3.12Å
159A31.1Very low48.2Very low99 Ų99101.5 Ų101.582%0.81863%0.628SS**SBendtrans-80.791.9161.700000108.3
160G25.9Very low44.9Very low66 Ų66110.6 Ų110.668%0.6867%0.668SS**  trans-51.7153.7179.100000113.3S158 S162S158-G160 PolarHBondContact O-N 2.8Å; S158-G160 VanDerWaalsContact O-N 3.12Å; G160-S162 PolarHBondContact O-N 3.28Å
161L31.8Very low41.7Very low184 Ų184113 Ų11396%0.96368%0.684SS**  trans-34.9100162.7-67.3155.5000111.4
162S27.7Very low38.5Very low100 Ų100121.3 Ų121.370%0.69972%0.72SS**  trans-110.384.215090.70000106.8G160 T164G160-S162 PolarHBondContact O-N 3.28Å; S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.45Å
163G31.5Very low35.5Very low78 Ų78128.7 Ų128.780%0.80476%0.757SS**  trans-64.399.6158.900000107.4
164T25.5Very low32.6Very low102 Ų102131.3 Ų131.363%0.62678%0.778SS**  trans-119.899.3162-44.70000107.2S162 N166S162-T164 VanDerWaalsContact C-N 3.31Å; S162-T164 PolarHBondContact O-N 3.45Å; T164-N166 PolarHBondContact O-N 2.87Å
165N28.3Very low30.2Very low160 Ų160133.9 Ų133.986%0.85679%0.792SS**  trans-51.6105.1165.7-74.2-43.6000109.4
166N25.8Very low28.7Very low142 Ų142138.7 Ų138.776%0.75980%0.8SS**  trans-115.798.9162.8-76.5-24.2000108.6T164 A168T164-N166 PolarHBondContact O-N 2.87Å; N166-A168 PolarHBondContact O-N 3.15Å
167K27Very low28Very low199 Ų199137.2 Ų137.287%0.86581%0.807SS**PPolyproline II helixtrans-51126.8164.2-70.8178.3175.8179.10108.6P169K167-P169 WeakPolarHBondContact O-CD 3.44Å
168A24.7Very low27.2Very low94 Ų94134.7 Ų134.778%0.77780%0.801SS**PPolyproline II helixtrans-59.3131.1165.100000109.8N166N166-A168 PolarHBondContact O-N 3.15Å
169P27.3Very low26.9Very low125 Ų125139.1 Ų139.181%0.81281%0.807SS**PPolyproline II helixtrans-85.2118.5160-1.420.6000108.6K167K167-P169 WeakPolarHBondContact O-CD 3.44Å
170K25.3Very low26.6Very low193 Ų193141.8 Ų141.884%0.83981%0.806SS**PPolyproline II helixtrans-61130.2154.4-72179.4174.2-179.20108.1
171D26Very low26.5Very low126 Ų126143.6 Ų143.667%0.67481%0.806SS**  153.7145.6108.5-108.44.8000113.8
172K25.7Very low26.1Very low180 Ų180142.8 Ų142.878%0.78380%0.801SS**  trans85.999.9147.5-69.6165.3-170.4-177.20120.3V174K172-V174 PolarHBondContact O-N 2.8Å
173L26.3Very low26Very low172 Ų172146.9 Ų146.990%0.90181%0.809SS**  trans-37.4116.2142.8-164.1127.7000112.9
174V24.3Very low25.5Very low132 Ų132146 Ų14680%0.880%0.799SS**  trans-149.7123.9153.3177.80000109.2K172K172-V174 PolarHBondContact O-N 2.8Å
175E27.9Very low25.5Very low174 Ų174149.5 Ų149.581%0.81381%0.814SS**  trans-56.8138.7166.2-64.3172.6137.100111.7
176K27.4Very low25.5Very low209 Ų209150.2 Ų150.291%0.90982%0.817SS**  trans-174.3139.7130.3-103.8162.6-174.3-178.90113.1
177A25.6Very low25.6Very low108 Ų108149.3 Ų149.389%0.89382%0.822SS**  trans-60147.6172.100000113
178G23.7Very low25.4Very low77 Ų77143 Ų14379%0.79481%0.814SS**  trans-160.4109.3169.900000111.1
179K26.7Very low25.5Very low201 Ų201148.4 Ų148.487%0.87482%0.823SS**  trans-63.5174.3169.4-76.2172.2169.3174.70111.5
180I23.7Very low25.4Very low156 Ų156152.1 Ų152.180%0.882%0.821SS**  trans103.3136.8154.8-58.6166.6000112.8
181C23.8Very low25.4Very low103 Ų103151.4 Ų151.470%0.69683%0.825SS**  cis-163.4154.6-16.6-99.40000106.6
182I24.7Very low25.4Very low167 Ų167152.4 Ų152.486%0.85682%0.823SS**  trans-78.1125.6166.3-64.1172000107.4
183H24.1Very low25.4Very low187 Ų187150.6 Ų150.687%0.86682%0.822SS**  trans-99115.5165.5-109.552.8000108.8
184G22.5Very low25.5Very low58 Ų58152 Ų15260%0.59882%0.821SS**  trans-82.8160.517200000112
185N24.6Very low25.7Very low176 Ų176153.9 Ų153.994%0.94182%0.821SS**  trans-121.4120.4151.5-87.8-20.6000108.3
186L27.8Very low25.5Very low175 Ų175152.2 Ų152.292%0.91682%0.818SS**  trans-81.9140.4172-93133.8000110
187S27.9Very low25.4Very low124 Ų124150.4 Ų150.487%0.86781%0.813SS**  trans-166.7108133.4174.50000108
188G24.1Very low25.4Very low66 Ų66153.1 Ų153.168%0.6881%0.811SS**  trans-106145169.600000110
189Q26.5Very low25.4Very low207 Ų207157.2 Ų157.297%0.96781%0.809SS**  trans-144.5137.5143.4-124174.727.400112
190R25.2Very low25.3Very low204 Ų204153 Ų15377%0.7780%0.804SS**  trans-79.4145.3-165.3-179.2-170-158.4-173.26.8112.2
191L24.8Very low25.3Very low177 Ų177153.7 Ų153.793%0.92780%0.804SS**  trans-159.1133.9140-106.7148.9000111.2
192K26.6Very low25.4Very low148 Ų148155.9 Ų155.964%0.64381%0.807SS**  trans-87.2149.2-177.1-62.3174.7167.7-175.20110.6
193N25Very low25.4Very low142 Ų142155.4 Ų155.476%0.75980%0.803SS**  160.1143.9111.7-87.9-17.7000114.4
194K29.6Very low25.6Very low201 Ų201155.5 Ų155.587%0.87480%0.801SS**  trans92.2134.6147.3-79.9-178.1176.9-171.30121.6
195E26.9Very low25.8Very low172 Ų172158.6 Ų158.680%0.80481%0.814SS**  trans-74.1149-176.2-58.3151.3143.100112.4
196N24.7Very low25.9Very low138 Ų138160 Ų16074%0.73881%0.811SS**  161.3141.6115.2-94.1-6.2000113.2
197E25.4Very low25.8Very low171 Ų171160.4 Ų160.480%0.79981%0.808SS**  trans62.3120.8146.3-75.4177.6142.100123.6
198L25.6Very low25.6Very low166 Ų166160.7 Ų160.787%0.86981%0.805SS**  trans-14130.4145.9-65153.6000117.2
199H22.5Very low25.7Very low162 Ų162166 Ų16675%0.7582%0.817SS**  -162.9125.6126.3-148.1-64.6000111.8
200C25.4Very low25.7Very low112 Ų112165.6 Ų165.676%0.75781%0.812SS**  trans-67.9128.3163.9-61.50000109.8
201Q24.4Very low25.6Very low171 Ų171165.9 Ų165.980%0.79982%0.819SS**  trans-155.1118.9153.3-114.2165.43700113.1
202I25.9Very low25.6Very low149 Ų149166.4 Ų166.476%0.76482%0.819SS**  trans-40.1130.3155.5-67.1156.9000110.4
203M24.6Very low25.4Very low157 Ų157164.1 Ų164.177%0.77382%0.822SS**  trans-168145.3132.3-104.3-62.7135.600113
204K28.7Very low25.3Very low189 Ų189163.1 Ų163.182%0.82282%0.824SS**  trans-63.2142.9177.3-62.7161.2173.5173.10110.6
205S25.5Very low25.1Very low124 Ų124159.8 Ų159.887%0.86782%0.82SS**  trans-116.2107.2159.448.50000110.4
206K27.6Very low25.1Very low204 Ų204159.2 Ų159.289%0.88782%0.823SS**  trans-80.9141.3148.1-91.5179.1169.7179.70106.6
207E25.7Very low25.1Very low184 Ų184155.9 Ų155.986%0.8682%0.821SS**  trans-172104.6139.3-102-176.1157.200107.6
208T23.4Very low25.1Very low130 Ų130153.7 Ų153.780%0.79882%0.82SS**  65.4105.4100.443.70000114.7
209L25.9Very low25.2Very low179 Ų179154.6 Ų154.694%0.93782%0.819SS**  trans-118.8125.8152.3-156.981.8000109.4
210K26Very low25.5Very low197 Ų197150.5 Ų150.586%0.85782%0.821SS**  trans-49.9133.3-177-88.7166.7164.5172.20113.5
211K23.7Very low25.7Very low211 Ų211156.6 Ų156.692%0.91783%0.829SS**  trans-78.9124.7157.5-157177.3-171.2-179.20107.4
212M23.7Very low26.3Very low188 Ų188157.8 Ų157.893%0.92683%0.834SS**  trans-130111.9164.3-150.4165.3175.700107.6
213S22.3Very low26.4Very low100 Ų100159.8 Ų159.870%0.69984%0.84SS**  trans-84.6144.2170.651.20000109.7
214C23.3Very low26.7Very low120 Ų120160 Ų16081%0.81184%0.844SS**  -177.8114.2124.9-90.10000111.8
215V25.9Very low26.8Very low131 Ų131156.8 Ų156.879%0.79484%0.842SS**  trans53.2115.2133.3-168.60000121.9
216N26.2Very low27.1Very low160 Ų160158.9 Ų158.986%0.85684%0.843SS**  trans14.5131.1144.1-58.7-11.9000122
217G24.8Very low27.7Very low68 Ų68155.5 Ų155.570%0.70184%0.842SS**  126.4112.211600000118.1
218T25.5Very low28.5Very low126 Ų126149.7 Ų149.777%0.77383%0.831SS**  trans109.8120.2141.7-26.30000118.5
219E28.1Very low29.4Very low184 Ų184149.5 Ų149.586%0.8683%0.83SS**  trans70.7106.4150.3-78.7166.3-173.500122.3
220G28.6Very low30.6Very low77 Ų77149 Ų14979%0.79482%0.82SS**  79.687.2113.800000118.3
221R29.6Very low32.3Very low240 Ų240147.2 Ų147.291%0.90681%0.814SS**  trans-162.2131.3138-155.3173-85.1-103.93.3110.8E223R221-E223 PolarHBondContact O-N 3.27Å
222E36.7Very low35Very low196 Ų196139.7 Ų139.792%0.91679%0.786SS**  trans-55.9123.5169.6-72.1174.4141.200110.4
223E27.8Very low37.9Very low191 Ų191131.4 Ų131.489%0.89375%0.746SS**  trans-113.8115.2169.3-138173.6-161.400107.9R221R221-E223 PolarHBondContact O-N 3.27Å
224L31.4Very low41.2Very low161 Ų161126.8 Ų126.884%0.84371%0.714SS**PPolyproline II helixtrans-58.2141.6179.7-71.4160.1000110.8L226L224-L226 PolarHBondContact O-N 3.24Å
225P31.6Very low44.6Very low122 Ų122121 Ų12179%0.79268%0.675SS**PPolyproline II helixtrans-69.6124.2177.127.1-30.4000110.5
226L31.7Very low47.8Very low168 Ų168115.2 Ų115.288%0.8864%0.64SS**PPolyproline II helixtrans-53.1135.1171.5-78.1147.2000111.3L224 G228L224-L226 PolarHBondContact O-N 3.24Å; L226-G228 PolarHBondContact O-N 2.79Å
227P39.9Very low51.1Low133 Ų133111.6 Ų111.686%0.86461%0.614SS**SBendtrans-79.5113.8-179.930.7-30.7000110.1
228G41.7Very low54.5Low61 Ų61108.7 Ų108.763%0.62958%0.583SS**  trans161.847.8173.600000115.1L226 K230L226-G228 PolarHBondContact O-N 2.79Å; G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 2.94Å
229T43.1Very low57.7Low127 Ų127108.6 Ų108.678%0.77957%0.572SS**  trans-65.990.916690000108.5H231T229-H231 PolarHBondContact O-N 3.44Å
230K51.6Low60.9Low168 Ų168100 Ų10073%0.7353%0.532SS*.  trans-57.6112.3162.2-67.6-178.3-179.6178.70106.1F98 G228 T232F98-K230 HydrophobicContact CD1-CB 4.26Å; G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 2.94Å; K230-T232 VanDerWaalsContact C-N 3.31Å; K230-T232 PolarHBondContact O-N 3.12Å
231H60.7Low63.9Low159 Ų15997.2 Ų97.274%0.73650%0.5SS*.  trans-64.393.6179.2-68-68.6000109.4T229 C233T229-H231 PolarHBondContact O-N 3.44Å; H231-C233 PolarHBondContact O-N 3.46Å
232T80.4Confident66.8Low54 Ų5487.6 Ų87.633%0.33146%0.464SS..  trans-68.4113.2172.7-54.80000108H96 K230H96-T232 HydrophobicContact CB-CG2 3.55Å; K230-T232 VanDerWaalsContact C-N 3.31Å; K230-T232 PolarHBondContact O-N 3.12Å
233C85.4Confident69.3Low13 Ų1378.3 Ų78.39%0.08842%0.421CS..EExtended strand (participates in β ladder)trans-80.7134.5174.7-66.60000109.4I97 K150 H231 Y235I97-C233 PolarHBondContact N-O 3.39Å; I97-C233 WeakPolarHBondContact O-CA 3.35Å; I97-C233 WeakPolarHBondContact O-CB 3.35Å; I97-C233 PolarHBondContact O-N 3.11Å; K150-C233 VanDerWaalsContact CE-SG 3.58Å; H231-C233 PolarHBondContact O-N 3.46Å; C233-Y235 HydrophobicContact CB-CD2 4.1Å; C233-Y235 HydrophobicContact CB-CE2 3.43Å; C233-Y235 VanDerWaalsContact CB-CE2 3.43Å
234V91.8Very high72.1Confident3 Ų371 Ų712%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-93.8131.9175.2-177.50000109.3K94 K95 V151K94-V234 HydrophobicContact CB-CG1 4.09Å; K94-V234 HydrophobicContact CD-CG1 4.17Å; K94-V234 HydrophobicContact CG-CG1 4.1Å; K95-V234 CarbonylContact O-C 3.52Å; K95-V234 WeakPolarHBondContact O-CA 3.2Å; V151-V234 HydrophobicContact CB-CB 4.37Å; V151-V234 HydrophobicContact CB-CG1 4.23Å; V151-V234 WeakPolarHBondContact CB-O 3.28Å; V151-V234 HydrophobicContact CG2-CG1 4.04Å; V151-V234 PolarHBondContact N-O 3.22Å
235Y93.4Very high74.6Confident0 Ų067.1 Ų67.10%038%0.38CS..EExtended strand (participates in β ladder)trans-126.8157-178.8-77.1-92.5000111.4K94 K95 I97 D100 I101 L148 C149 K150 C233K94-Y235 CarbonylContact C-O 3.51Å; K94-Y235 WeakPolarHBondContact CA-O 3.29Å; K95-Y235 PolarHBondContact N-O 2.83Å; K95-Y235 PolarHBondContact O-N 3.19Å; I97-Y235 HydrophobicContact CB-CD2 3.9Å; I97-Y235 HydrophobicContact CB-CE2 4.05Å; I97-Y235 HydrophobicContact CD1-CD2 4.04Å; I97-Y235 HydrophobicContact CD1-CG 4.35Å; I97-Y235 HydrophobicContact CG1-CD2 4.05Å; D100-Y235 VanDerWaalsContact CA-OH 3.25Å; D100-Y235 WeakPolarHBondContact CA-OH 3.38Å; D100-Y235 PolarHBondContact OD1-OH 3.28Å; I101-Y235 HydrophobicContact CB-CE1 4.32Å; I101-Y235 PolarHBondContact N-OH 3.31Å; L148-Y235 HydrophobicContact CB-CD1 4.48Å; L148-Y235 HydrophobicContact CD2-CD1 3.72Å; L148-Y235 HydrophobicContact CD2-CD2 4.43Å; L148-Y235 HydrophobicContact CD2-CG 3.69Å; L148-Y235 HydrophobicContact CG-CD1 3.66Å; L148-Y235 HydrophobicContact CG-CG 3.89Å; C149-Y235 WeakPolarHBondContact O-CA 3.45Å; C149-Y235 WeakPolarHBondContact O-CD1 3.22Å; K150-Y235 HydrophobicContact CB-CD1 4.13Å; K150-Y235 HydrophobicContact CB-CE1 3.59Å; K150-Y235 HydrophobicContact CG-CE1 4.26Å; K150-Y235 VanDerWaalsContact N-CD1 3.29Å; C233-Y235 HydrophobicContact CB-CD2 4.1Å; C233-Y235 HydrophobicContact CB-CE2 3.43Å; C233-Y235 VanDerWaalsContact CB-CE2 3.43Å
236T94.7Very high77.1Confident8 Ų862.7 Ų62.75%0.04935%0.354CS..EExtended strand (participates in β ladder)trans-136.6155.6166.3-1770000109.9L84 I89 R93 C149 V151 V238L84-T236 HydrophobicContact CD1-CG2 3.9Å; L84-T236 HydrophobicContact CD2-CG2 4.09Å; L84-T236 HydrophobicContact CG-CG2 4.49Å; I89-T236 HydrophobicContact CD1-CG2 3.73Å; R93-T236 PolarHBondContact O-OG1 3.45Å; C149-T236 PolarHBondContact N-O 3.37Å; C149-T236 PolarHBondContact O-N 2.99Å; V151-T236 HydrophobicContact CG2-CG2 4.01Å; T236-V238 HydrophobicContact CG2-CG2 4.42Å
237W94.9Very high79.8Confident84 Ų8455.7 Ų55.732%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-71.1133.3165.8-73.8107.2000110K95 H131 Y133 H146 L148K95-W237 VanDerWaalsContact CE-NE1 3.34Å; H131-W237 WeakPolarHBondContact O-CZ3 3.4Å; Y133-W237 HydrophobicContact CD1-CH2 4.09Å; Y133-W237 HydrophobicContact CD1-CZ3 4.02Å; Y133-W237 HydrophobicContact CE1-CE3 4.39Å; Y133-W237 HydrophobicContact CE1-CH2 4.09Å; Y133-W237 AromaticContact CE1-CZ3 3.93Å; Y133-W237 HydrophobicContact CE1-CZ3 3.93Å; H146-W237 HydrophobicContact CB-CE3 4.1Å; H146-W237 HydrophobicContact CB-CZ3 4.26Å; L148-W237 HydrophobicContact CD1-CD2 4.23Å; L148-W237 HydrophobicContact CD1-CG 4.35Å
238V94.9Very high82.1Confident8 Ų850.6 Ų50.65%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-112.5133.4170.5-179.60000107.7L84 H146 F147 C149 T236 Q240L84-V238 HydrophobicContact CD1-CG2 3.69Å; L84-V238 HydrophobicContact CD2-CG2 4.15Å; H146-V238 VanDerWaalsContact CA-O 3.29Å; H146-V238 WeakPolarHBondContact CA-O 2.97Å; F147-V238 HydrophobicContact CE1-CB 4.03Å; F147-V238 HydrophobicContact CE1-CG1 3.98Å; F147-V238 HydrophobicContact CE2-CB 4.11Å; F147-V238 HydrophobicContact CE2-CG2 4.42Å; F147-V238 HydrophobicContact CZ-CB 3.8Å; F147-V238 HydrophobicContact CZ-CG1 3.78Å; F147-V238 HydrophobicContact CZ-CG2 4.45Å; F147-V238 PolarHBondContact N-O 3.01Å; F147-V238 VanDerWaalsContact N-O 3.08Å; F147-V238 PolarHBondContact O-N 3.49Å; C149-V238 HydrophobicContact CB-CG2 3.55Å; T236-V238 HydrophobicContact CG2-CG2 4.42Å; V238-Q240 HydrophobicContact CG1-CG 4.32Å
239K94.8Very high84.3Confident123 Ų12354 Ų5454%0.53529%0.285SS..EExtended strand (participates in β ladder)trans-104.5121.8172.8179.8-175.9175.4-177.90108.2S77 T144 V145S77-K239 WeakPolarHBondContact CA-O 3.38Å; T144-K239 HydrophobicContact CG2-CD 4.02Å; T144-K239 VanDerWaalsContact CG2-CE 3.42Å; T144-K239 HydrophobicContact CG2-CG 3.51Å; V145-K239 WeakPolarHBondContact O-CA 2.98Å
240Q94.3Very high86.5Confident3 Ų351.6 Ų51.61%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-114.6146.6169.9-73.9179.1-17.400110.6N76 S77 A79 T144 V145 F147 V238N76-Q240 WeakPolarHBondContact O-CG 3.49Å; S77-Q240 CarbonylContact O-C 3.53Å; S77-Q240 WeakPolarHBondContact O-CA 3.17Å; A79-Q240 PolarHBondContact O-NE2 3.3Å; T144-Q240 CarbonylContact C-O 3.51Å; T144-Q240 WeakPolarHBondContact CA-O 3.18Å; T144-Q240 WeakPolarHBondContact CG2-O 3.39Å; V145-Q240 PolarHBondContact N-O 3.09Å; V145-Q240 PolarHBondContact O-N 3.33Å; F147-Q240 HydrophobicContact CE1-CG 3.93Å; V238-Q240 HydrophobicContact CG1-CG 4.32Å
241C91.6Very high88.4Confident19 Ų1943.7 Ų43.713%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-124.4126.3177.3-168.20000110S77 E142 R343S77-C241 PolarHBondContact O-N 3.48Å; E142-C241 PolarHBondContact OE2-SG 3.31Å; E142-C241 VanDerWaalsContact OE2-SG 3.33Å; C241-R343 PolarHBondContact SG-NH2 3.13Å; C241-R343 VanDerWaalsContact SG-NH2 3.43Å
242W90.1Very high89.9Confident38 Ų3840.2 Ų40.214%0.14421%0.213CC..EExtended strand (participates in β ladder)trans-130.6145.9-173.5-64.8106.5000110.8S78 E142 F143 P248S78-W242 WeakPolarHBondContact O-CH2 3.44Å; E142-W242 CarbonylContact C-O 3.58Å; E142-W242 VanDerWaalsContact CA-O 3.22Å; E142-W242 WeakPolarHBondContact CA-O 3.5Å; E142-W242 WeakPolarHBondContact CB-O 3.27Å; F143-W242 HydrophobicContact CD1-CB 4.18Å; F143-W242 WeakPolarHBondContact CD1-O 3.31Å; F143-W242 HydrophobicContact CE1-CB 3.52Å; F143-W242 HydrophobicContact CE2-CB 4.04Å; F143-W242 HydrophobicContact CE2-CG 4.45Å; F143-W242 HydrophobicContact CZ-CB 3.45Å; F143-W242 VanDerWaalsContact CZ-CB 3.45Å; F143-W242 HydrophobicContact CZ-CG 4.08Å; F143-W242 PolarHBondContact N-O 3.42Å; F143-W242 PolarHBondContact O-N 2.67Å; W242-P248 HydrophobicContact CD2-CG 3.65Å; W242-P248 HydrophobicContact CE3-CG 3.94Å; W242-P248 HydrophobicContact CG-CG 4.17Å; W242-P248 HydrophobicContact CH2-CG 4.14Å; W242-P248 HydrophobicContact CZ2-CG 3.85Å; W242-P248 HydrophobicContact CZ3-CG 4.17Å
243S88.4Confident90.5Very high2 Ų239.5 Ų39.51%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-70.2140.5166.7-175.50000109.4A245 A246 C247 E353S243-A245 PolarHBondContact O-N 3.13Å; S243-A246 CarbonylContact O-C 3.57Å; S243-A246 PolarHBondContact O-N 3.37Å; S243-A246 VanDerWaalsContact O-N 3.07Å; S243-C247 PolarHBondContact O-N 3.26Å; S243-E353 WeakPolarHBondContact CB-OE2 3.35Å; S243-E353 PolarHBondContact OG-OE1 3.26Å; S243-E353 VanDerWaalsContact OG-OE1 3.09Å; S243-E353 PolarHBondContact OG-OE2 3.27Å
244V88.4Confident90.8Very high36 Ų3638.9 Ų38.922%0.21820%0.201CC..G310 helixtrans-59.5-31.6176.3170.50000111.3L136 Q140 H141 F143 A246 L255 L259L136-V244 HydrophobicContact CD1-CG2 4.15Å; Q140-V244 WeakPolarHBondContact O-CG2 3.28Å; H141-V244 PolarHBondContact O-N 3.13Å; F143-V244 HydrophobicContact CD1-CG2 3.9Å; V244-A246 VanDerWaalsContact C-N 3.35Å; V244-L255 HydrophobicContact CG1-CD2 4.31Å; V244-L255 HydrophobicContact CG2-CD1 4.33Å; V244-L259 HydrophobicContact CG1-CD1 4.49Å
245A83.4Confident90.8Very high81 Ų8139.2 Ų39.267%0.66920%0.202SC*.G310 helixtrans-75.1-21.4178.500000113.9S243S243-A245 PolarHBondContact O-N 3.13Å
246A83.9Confident90.7Very high28 Ų2841.7 Ų41.723%0.23122%0.22CC..G310 helixtrans-121.745.7-176.900000110.9S243 V244 P248S243-A246 CarbonylContact O-C 3.57Å; S243-A246 PolarHBondContact O-N 3.37Å; S243-A246 VanDerWaalsContact O-N 3.07Å; V244-A246 VanDerWaalsContact C-N 3.35Å; A246-P248 WeakPolarHBondContact O-CD 3.45Å
247C88.1Confident90.4Very high22 Ų2241.5 Ų41.515%0.14922%0.218CC..  trans-70.9126.2-178.9-176.40000111.6F143 S243 W251 L255F143-C247 HydrophobicContact CE1-CB 4.02Å; F143-C247 HydrophobicContact CZ-CB 4.04Å; F143-C247 WeakPolarHBondContact CZ-SG 3.47Å; S243-C247 PolarHBondContact O-N 3.26Å; C247-W251 VanDerWaalsContact SG-C 3.53Å; C247-L255 HydrophobicContact CB-CD2 3.67Å; C247-L255 VanDerWaalsContact SG-CD2 3.55Å
248P87.8Confident90.2Very high26 Ų2637.5 Ų37.517%0.16920%0.203CC..  trans-59.9150.9170.7-22.733.5000112.6W242 A246 E250 W251 K252W242-P248 HydrophobicContact CD2-CG 3.65Å; W242-P248 HydrophobicContact CE3-CG 3.94Å; W242-P248 HydrophobicContact CG-CG 4.17Å; W242-P248 HydrophobicContact CH2-CG 4.14Å; W242-P248 HydrophobicContact CZ2-CG 3.85Å; W242-P248 HydrophobicContact CZ3-CG 4.17Å; A246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-E250 VanDerWaalsContact CB-OE2 3.23Å; P248-E250 WeakPolarHBondContact CB-OE2 3.16Å; P248-E250 PolarHBondContact O-N 3.23Å; P248-E250 VanDerWaalsContact O-N 3.17Å; P248-W251 PolarHBondContact O-N 3.04Å; P248-K252 PolarHBondContact O-N 3.1Å
249E87.9Confident90Very high131 Ų13138.8 Ų38.861%0.61221%0.21SC*.G310 helixtrans-54.8-37.8-177.7-64.3-57.214100112.7W251 K252E249-W251 PolarHBondContact O-N 3.13Å; E249-K252 PolarHBondContact O-N 3.08Å; E249-K252 WeakPolarHBondContact OE1-CE 3.46Å; E249-K252 IonicContact OE1-NZ 3.62Å; E249-K252 PolarHBondContact OE1-NZ 2.88Å; E249-K252 WeakPolarHBondContact OE2-CD 3.2Å; E249-K252 WeakPolarHBondContact OE2-CE 3.26Å; E249-K252 IonicContact OE2-NZ 3.5Å; E249-K252 PolarHBondContact OE2-NZ 3.39Å
250E89.7Confident89.6Confident78 Ų7836.6 Ų36.636%0.36420%0.201SC..G310 helixtrans-62.6-27.1-179.2-57.380-177.100112.2P248 S294P248-E250 VanDerWaalsContact CB-OE2 3.23Å; P248-E250 WeakPolarHBondContact CB-OE2 3.16Å; P248-E250 PolarHBondContact O-N 3.23Å; P248-E250 VanDerWaalsContact O-N 3.17Å; E250-S294 VanDerWaalsContact O-CB 3.27Å; E250-S294 WeakPolarHBondContact O-CB 3.4Å; E250-S294 PolarHBondContact O-OG 3.39Å
251W92.4Very high89.1Confident1 Ų137.2 Ų37.20%0.00420%0.204CC..G310 helixtrans-109.20.6-173.6-49.7125.7000113.7W106 F143 V145 F147 C247 P248 E249 Y253 P254 L255 L296 P297W106-W251 AromaticContact CZ2-CE3 3.95Å; W106-W251 HydrophobicContact CZ2-CE3 3.95Å; W106-W251 AromaticContact CZ2-CZ3 3.76Å; W106-W251 HydrophobicContact CZ2-CZ3 3.76Å; F143-W251 HydrophobicContact CE2-CB 4.02Å; F143-W251 HydrophobicContact CZ-CB 4.29Å; V145-W251 HydrophobicContact CB-CD2 4.39Å; V145-W251 HydrophobicContact CG1-CD2 3.9Å; V145-W251 HydrophobicContact CG1-CE3 3.86Å; V145-W251 HydrophobicContact CG1-CH2 3.72Å; V145-W251 HydrophobicContact CG1-CZ2 3.75Å; V145-W251 HydrophobicContact CG1-CZ3 3.79Å; V145-W251 HydrophobicContact CG2-CB 4.42Å; V145-W251 HydrophobicContact CG2-CD2 4Å; V145-W251 HydrophobicContact CG2-CE3 4.48Å; V145-W251 HydrophobicContact CG2-CG 3.97Å; F147-W251 HydrophobicContact CB-CH2 4.06Å; F147-W251 AromaticContact CD1-CH2 3.99Å; F147-W251 HydrophobicContact CD1-CH2 3.99Å; F147-W251 AromaticContact CD1-CZ2 3.74Å; F147-W251 HydrophobicContact CD1-CZ2 3.74Å; F147-W251 HydrophobicContact CE1-CZ2 4.08Å; F147-W251 HydrophobicContact CG-CH2 4.08Å; F147-W251 HydrophobicContact CG-CZ2 4.22Å; C247-W251 VanDerWaalsContact SG-C 3.53Å; P248-W251 PolarHBondContact O-N 3.04Å; E249-W251 PolarHBondContact O-N 3.13Å; W251-Y253 PolarHBondContact O-N 3.18Å; W251-P254 HydrophobicContact CB-CG 4.42Å; W251-P254 HydrophobicContact CE3-CG 4.29Å; W251-P254 VanDerWaalsContact O-CD 3.31Å; W251-P254 WeakPolarHBondContact O-CD 3.48Å; W251-P254 VanDerWaalsContact O-CG 3.31Å; W251-P254 WeakPolarHBondContact O-CG 3.43Å; W251-L255 WeakPolarHBondContact O-CB 3.48Å; W251-L255 PolarHBondContact O-N 2.81Å; W251-L296 HydrophobicContact CH2-CD2 3.91Å; W251-L296 HydrophobicContact CZ3-CD2 4.47Å; W251-P297 HydrophobicContact CZ2-CG 4.22Å
252K92.3Very high88.7Confident87 Ų8736.9 Ų36.938%0.37820%0.2SC..Hα-helixtrans-59.1-46.3179.7-75.9-174.1178.1174.30113.2P248 E249 L255 S256P248-K252 PolarHBondContact O-N 3.1Å; E249-K252 PolarHBondContact O-N 3.08Å; E249-K252 WeakPolarHBondContact OE1-CE 3.46Å; E249-K252 IonicContact OE1-NZ 3.62Å; E249-K252 PolarHBondContact OE1-NZ 2.88Å; E249-K252 WeakPolarHBondContact OE2-CD 3.2Å; E249-K252 WeakPolarHBondContact OE2-CE 3.26Å; E249-K252 IonicContact OE2-NZ 3.5Å; E249-K252 PolarHBondContact OE2-NZ 3.39Å; K252-L255 PolarHBondContact O-N 2.8Å; K252-S256 PolarHBondContact O-N 3.07Å
253Y91.3Very high88.4Confident39 Ų3940 Ų4015%0.15322%0.215CC..Hα-helixtrans-64.1-53.8179.6-177.7-102.5000113.3W106 P107 W251 L255 S256 L257 M292W106-Y253 HydrophobicContact CB-CD1 3.69Å; W106-Y253 HydrophobicContact CB-CE1 3.6Å; W106-Y253 HydrophobicContact CG-CD1 4.09Å; W106-Y253 HydrophobicContact CG-CE1 4.48Å; P107-Y253 PolarHBondContact O-OH 3.47Å; W251-Y253 PolarHBondContact O-N 3.18Å; Y253-L255 PolarHBondContact O-N 3.42Å; Y253-S256 PolarHBondContact O-N 2.96Å; Y253-S256 PolarHBondContact O-OG 2.79Å; Y253-L257 HydrophobicContact CD1-CD1 4.04Å; Y253-L257 HydrophobicContact CE1-CD1 3.5Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.5Å; Y253-L257 HydrophobicContact CE1-CG 4.17Å; Y253-L257 PolarHBondContact O-N 2.84Å; Y253-L257 VanDerWaalsContact O-N 3.1Å; Y253-M292 HydrophobicContact CE1-CB 4.18Å; Y253-M292 HydrophobicContact CE1-CG 4Å
254P91.9Very high88Confident0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-63.8-29.7177.624.5-34.8000113.2W106 L134 W251 A258W106-P254 HydrophobicContact CD2-CB 3.59Å; W106-P254 HydrophobicContact CD2-CG 4.04Å; W106-P254 HydrophobicContact CE3-CB 3.81Å; W106-P254 HydrophobicContact CG-CB 4.12Å; W106-P254 HydrophobicContact CG-CG 4.44Å; W106-P254 HydrophobicContact CH2-CB 3.96Å; W106-P254 HydrophobicContact CH2-CG 4.28Å; W106-P254 HydrophobicContact CZ2-CB 3.76Å; W106-P254 HydrophobicContact CZ2-CG 3.64Å; W106-P254 HydrophobicContact CZ3-CB 3.99Å; L134-P254 HydrophobicContact CB-CB 4.39Å; L134-P254 HydrophobicContact CD1-CB 4.04Å; L134-P254 HydrophobicContact CD1-CG 4.15Å; W251-P254 HydrophobicContact CB-CG 4.42Å; W251-P254 HydrophobicContact CE3-CG 4.29Å; W251-P254 VanDerWaalsContact O-CD 3.31Å; W251-P254 WeakPolarHBondContact O-CD 3.48Å; W251-P254 VanDerWaalsContact O-CG 3.31Å; W251-P254 WeakPolarHBondContact O-CG 3.43Å; P254-A258 PolarHBondContact O-N 3.09Å
255L92.8Very high87.1Confident9 Ų946.5 Ų46.55%0.04724%0.242CC..Hα-helixtrans-67.9-43.2174179.162.2000111.8L134 L136 F143 V244 C247 W251 K252 Y253 L257 A258 L259L134-L255 HydrophobicContact CD1-CB 4.12Å; L136-L255 HydrophobicContact CD1-CD1 4.18Å; F143-L255 HydrophobicContact CB-CD1 4.26Å; F143-L255 HydrophobicContact CD1-CD1 3.88Å; F143-L255 HydrophobicContact CD1-CD2 4.08Å; F143-L255 HydrophobicContact CE1-CD1 4.34Å; F143-L255 HydrophobicContact CE1-CD2 3.74Å; F143-L255 HydrophobicContact CG-CD1 3.98Å; F143-L255 HydrophobicContact CZ-CD2 4.2Å; V244-L255 HydrophobicContact CG1-CD2 4.31Å; V244-L255 HydrophobicContact CG2-CD1 4.33Å; C247-L255 HydrophobicContact CB-CD2 3.67Å; C247-L255 VanDerWaalsContact SG-CD2 3.55Å; W251-L255 WeakPolarHBondContact O-CB 3.48Å; W251-L255 PolarHBondContact O-N 2.81Å; K252-L255 PolarHBondContact O-N 2.8Å; Y253-L255 PolarHBondContact O-N 3.42Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 2.83Å; L255-A258 PolarHBondContact O-N 3.33Å; L255-L259 HydrophobicContact CD1-CD1 4.3Å; L255-L259 HydrophobicContact CD1-CG 4.31Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 3.02Å
256S90.9Very high86.5Confident52 Ų5245 Ų4536%0.36422%0.223SC..Hα-helixtrans-63.2-38.4177.671.70000111.6K252 Y253 L259 H260K252-S256 PolarHBondContact O-N 3.07Å; Y253-S256 PolarHBondContact O-N 2.96Å; Y253-S256 PolarHBondContact O-OG 2.79Å; S256-L259 PolarHBondContact O-N 2.76Å; S256-H260 WeakPolarHBondContact O-CB 3.35Å; S256-H260 PolarHBondContact O-N 3.22Å
257L89.3Confident85.6Confident4 Ų448.8 Ų48.82%0.02124%0.24CC..Hα-helixtrans-59.1-51.3170.4-69.3176.6000111.4W106 P107 L109 I125 Y253 L255 L259 H260 F261W106-L257 HydrophobicContact CB-CD1 4.43Å; P107-L257 HydrophobicContact CG-CD1 4.33Å; P107-L257 VanDerWaalsContact O-CD1 3.23Å; P107-L257 WeakPolarHBondContact O-CD1 3.43Å; L109-L257 HydrophobicContact CD1-CD2 3.62Å; I125-L257 HydrophobicContact CG2-CD1 4.46Å; Y253-L257 HydrophobicContact CD1-CD1 4.04Å; Y253-L257 HydrophobicContact CE1-CD1 3.5Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.5Å; Y253-L257 HydrophobicContact CE1-CG 4.17Å; Y253-L257 PolarHBondContact O-N 2.84Å; Y253-L257 VanDerWaalsContact O-N 3.1Å; L255-L257 VanDerWaalsContact C-N 3.3Å; L255-L257 PolarHBondContact O-N 2.83Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.31Å; L257-H260 WeakPolarHBondContact O-CB 3.19Å; L257-H260 PolarHBondContact O-N 3.3Å; L257-H260 VanDerWaalsContact O-N 3.16Å; L257-F261 HydrophobicContact CB-CD2 4.49Å; L257-F261 HydrophobicContact CB-CE2 4.42Å; L257-F261 HydrophobicContact CD2-CE2 4.44Å; L257-F261 WeakPolarHBondContact O-CD2 3.36Å; L257-F261 PolarHBondContact O-N 3.24Å
258A90.2Very high84.3Confident0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-58.7-43.4-179.400000112.3V123 I125 L134 L136 P254 L255 F261 H262V123-A258 HydrophobicContact CG1-CB 4.22Å; I125-A258 HydrophobicContact CD1-CB 4.46Å; I125-A258 HydrophobicContact CG1-CB 3.77Å; L134-A258 HydrophobicContact CD2-CB 3.74Å; L136-A258 HydrophobicContact CB-CB 3.94Å; L136-A258 HydrophobicContact CD2-CB 3.84Å; P254-A258 PolarHBondContact O-N 3.09Å; L255-A258 PolarHBondContact O-N 3.33Å; A258-F261 PolarHBondContact O-N 2.92Å; A258-H262 WeakPolarHBondContact O-CB 3.46Å; A258-H262 PolarHBondContact O-N 3.22Å
259L89.8Confident82.7Confident36 Ų3655.6 Ų55.619%0.18828%0.275CS..Hα-helixtrans-64.4-41.5175.7-72.2167.6000112L136 Q140 V244 L255 S256 L257 H262 K263L136-L259 HydrophobicContact CD2-CD2 3.77Å; L136-L259 HydrophobicContact CD2-CG 4.04Å; Q140-L259 HydrophobicContact CG-CD2 4.49Å; V244-L259 HydrophobicContact CG1-CD1 4.49Å; L255-L259 HydrophobicContact CD1-CD1 4.3Å; L255-L259 HydrophobicContact CD1-CG 4.31Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 3.02Å; S256-L259 PolarHBondContact O-N 2.76Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.31Å; L259-H262 PolarHBondContact O-N 2.72Å; L259-K263 WeakPolarHBondContact O-CG 3.15Å; L259-K263 PolarHBondContact O-N 2.82Å
260H87.3Confident81Confident76 Ų7655.3 Ų55.335%0.35227%0.272SS..Hα-helixtrans-61.6-48.1176.5174.6-91.1000111.6L109 S256 L257 H262 K263 K264L109-H260 HydrophobicContact CD1-CB 4.43Å; S256-H260 WeakPolarHBondContact O-CB 3.35Å; S256-H260 PolarHBondContact O-N 3.22Å; L257-H260 WeakPolarHBondContact O-CB 3.19Å; L257-H260 PolarHBondContact O-N 3.3Å; L257-H260 VanDerWaalsContact O-N 3.16Å; H260-H262 VanDerWaalsContact C-N 3.34Å; H260-H262 PolarHBondContact O-N 2.83Å; H260-K263 PolarHBondContact O-N 2.83Å; H260-K264 WeakPolarHBondContact O-CB 3.35Å; H260-K264 PolarHBondContact O-N 3.01Å
261F84.3Confident79.2Confident17 Ų1758.4 Ų58.48%0.07529%0.29CS..Hα-helixtrans-64.4-39178-75.3-66.2000112.2I116 V123 I125 L257 A258 K263 K264 I265I116-F261 HydrophobicContact CD1-CD1 3.87Å; I116-F261 HydrophobicContact CD1-CD2 3.67Å; I116-F261 HydrophobicContact CD1-CE1 3.47Å; I116-F261 VanDerWaalsContact CD1-CE1 3.47Å; I116-F261 HydrophobicContact CD1-CE2 3.27Å; I116-F261 HydrophobicContact CD1-CG 3.99Å; I116-F261 HydrophobicContact CD1-CZ 3.17Å; I116-F261 HydrophobicContact CG1-CD2 4.36Å; I116-F261 HydrophobicContact CG1-CE2 4.24Å; I116-F261 HydrophobicContact CG2-CG 4.39Å; V123-F261 HydrophobicContact CG1-CB 4.28Å; I125-F261 HydrophobicContact CD1-CD2 3.93Å; L257-F261 HydrophobicContact CB-CD2 4.49Å; L257-F261 HydrophobicContact CB-CE2 4.42Å; L257-F261 HydrophobicContact CD2-CE2 4.44Å; L257-F261 WeakPolarHBondContact O-CD2 3.36Å; L257-F261 PolarHBondContact O-N 3.24Å; A258-F261 PolarHBondContact O-N 2.92Å; F261-K263 VanDerWaalsContact C-N 3.32Å; F261-K263 PolarHBondContact O-N 3.01Å; F261-K264 PolarHBondContact O-N 3.03Å; F261-I265 WeakPolarHBondContact O-CB 3.26Å; F261-I265 WeakPolarHBondContact O-CD1 3.44Å; F261-I265 VanDerWaalsContact O-CG1 3.26Å; F261-I265 WeakPolarHBondContact O-CG1 3.18Å; F261-I265 PolarHBondContact O-N 3.02Å; F261-I265 VanDerWaalsContact O-N 3.14Å
262H83.1Confident76.8Confident12 Ų1266.1 Ų66.16%0.05633%0.331CS..Hα-helixtrans-59.3-42.8173.3-165.7-46.4000111.9V123 Q140 A258 L259 H260 N266V123-H262 HydrophobicContact CG2-CB 4.07Å; Q140-H262 PolarHBondContact NE2-CD2 2.92Å; Q140-H262 VanDerWaalsContact NE2-CD2 3.3Å; Q140-H262 PolarHBondContact NE2-CE1 3.41Å; Q140-H262 VanDerWaalsContact NE2-CG 3.29Å; Q140-H262 PolarHBondContact NE2-ND1 3.08Å; Q140-H262 VanDerWaalsContact NE2-ND1 3.1Å; Q140-H262 PolarHBondContact NE2-NE2 2.93Å; A258-H262 WeakPolarHBondContact O-CB 3.46Å; A258-H262 PolarHBondContact O-N 3.22Å; L259-H262 PolarHBondContact O-N 2.72Å; H260-H262 VanDerWaalsContact C-N 3.34Å; H260-H262 PolarHBondContact O-N 2.83Å; H262-N266 PolarHBondContact CE1-ND2 3.14Å; H262-N266 PolarHBondContact O-N 3.28Å; H262-N266 VanDerWaalsContact O-N 3.14Å; H262-N266 PolarHBondContact O-OD1 3.11Å
263K83Confident74.2Confident104 Ų10465.6 Ų65.645%0.45234%0.343SS..Hα-helixtrans-68.2-46.2177.6-73.7178.2-179.7-1790112.6L259 H260 F261 I265 N266 N267L259-K263 WeakPolarHBondContact O-CG 3.15Å; L259-K263 PolarHBondContact O-N 2.82Å; H260-K263 PolarHBondContact O-N 2.83Å; F261-K263 VanDerWaalsContact C-N 3.32Å; F261-K263 PolarHBondContact O-N 3.01Å; K263-I265 PolarHBondContact O-N 2.89Å; K263-N266 PolarHBondContact O-N 3.37Å; K263-N267 WeakPolarHBondContact O-CB 3.36Å; K263-N267 VanDerWaalsContact O-CG 3.29Å; K263-N267 PolarHBondContact O-N 2.94Å
264K79.8Confident71.5Confident110 Ų11072.6 Ų72.648%0.47838%0.377SS..Hα-helixtrans-54-41.5178.9-177177.5179.2179.20111.1H260 F261 N267 M268H260-K264 WeakPolarHBondContact O-CB 3.35Å; H260-K264 PolarHBondContact O-N 3.01Å; F261-K264 PolarHBondContact O-N 3.03Å; K264-N267 PolarHBondContact O-N 3.16Å; K264-M268 HydrophobicContact CG-SD 4.49Å; K264-M268 WeakPolarHBondContact O-CG 3.35Å; K264-M268 PolarHBondContact O-N 3.3Å
265I70.7Confident69.2Low63 Ų6380.7 Ų80.732%0.32342%0.418SS..Hα-helixtrans-79.8-39.9-174.7-64.3169.2000111.5M118 F261 K263 N267 M268 S269M118-I265 HydrophobicContact CE-CD1 4.48Å; M118-I265 HydrophobicContact CG-CD1 4.45Å; M118-I265 HydrophobicContact SD-CD1 3.22Å; M118-I265 WeakPolarHBondContact SD-CD1 3.24Å; M118-I265 HydrophobicContact SD-CG1 4.42Å; M118-I265 HydrophobicContact SD-CG2 4.2Å; F261-I265 WeakPolarHBondContact O-CB 3.26Å; F261-I265 WeakPolarHBondContact O-CD1 3.44Å; F261-I265 VanDerWaalsContact O-CG1 3.26Å; F261-I265 WeakPolarHBondContact O-CG1 3.18Å; F261-I265 PolarHBondContact O-N 3.02Å; F261-I265 VanDerWaalsContact O-N 3.14Å; K263-I265 PolarHBondContact O-N 2.89Å; I265-N267 PolarHBondContact O-N 3.12Å; I265-M268 PolarHBondContact O-N 3.21Å; I265-S269 PolarHBondContact O-N 3.38Å
266N69.8Low66.4Low50 Ų5086.5 Ų86.527%0.26745%0.454SS..Hα-helixtrans-59.5-31.3169.9-79.714.1000112.6H262 K263 S269 K270H262-N266 PolarHBondContact CE1-ND2 3.14Å; H262-N266 PolarHBondContact O-N 3.28Å; H262-N266 VanDerWaalsContact O-N 3.14Å; H262-N266 PolarHBondContact O-OD1 3.11Å; K263-N266 PolarHBondContact O-N 3.37Å; N266-S269 PolarHBondContact O-OG 3.41Å; N266-K270 WeakPolarHBondContact O-CG 3.3Å; N266-K270 PolarHBondContact O-N 3.03Å
267N65.8Low64Low108 Ų10893 Ų9358%0.57848%0.479SS*.Hα-helixtrans-77.1-32.5175.5-70.3-10.5000111.9K263 K264 I265 I271K263-N267 WeakPolarHBondContact O-CB 3.36Å; K263-N267 VanDerWaalsContact O-CG 3.29Å; K263-N267 PolarHBondContact O-N 2.94Å; K264-N267 PolarHBondContact O-N 3.16Å; I265-N267 PolarHBondContact O-N 3.12Å; N267-I271 WeakPolarHBondContact O-CG1 3.26Å
268M60.9Low61.3Low127 Ų12797.6 Ų97.663%0.62651%0.511SS*.Hα-helixtrans-70.6-33.4173.4-74.1176.968.500112.6K264 I265 K270K264-M268 HydrophobicContact CG-SD 4.49Å; K264-M268 WeakPolarHBondContact O-CG 3.35Å; K264-M268 PolarHBondContact O-N 3.3Å; I265-M268 PolarHBondContact O-N 3.21Å; M268-K270 VanDerWaalsContact C-N 3.33Å
269S53.5Low58.8Low63 Ų63109.5 Ų109.544%0.44156%0.556SS.*Hα-helixtrans-72.4-23.4176.363.30000113.6I265 N266I265-S269 PolarHBondContact O-N 3.38Å; N266-S269 PolarHBondContact O-OG 3.41Å
270K53Low56Low125 Ų125113 Ų11354%0.54358%0.583SS.*G310 helixtrans-88.4-1.4-178.3-75.1-179.2179.9-174.20115.7N266 M268 D272 A273N266-K270 WeakPolarHBondContact O-CG 3.3Å; N266-K270 PolarHBondContact O-N 3.03Å; M268-K270 VanDerWaalsContact C-N 3.33Å; K270-D272 PolarHBondContact O-N 2.78Å; K270-A273 PolarHBondContact O-N 2.81Å
271I50.9Low53.3Low144 Ų144117.7 Ų117.774%0.73861%0.609SS**G310 helixtrans-72.2-8.4-179.3-67.8165.9000112.2N267N267-I271 WeakPolarHBondContact O-CG1 3.26Å
272D42Very low50.8Low163 Ų163123.2 Ų123.287%0.87264%0.644SS**G310 helixtrans-106.413.3177.8-146.118.8000114.9K270K270-D272 PolarHBondContact O-N 2.78Å
273A38.2Very low48.3Very low76 Ų76127.3 Ų127.363%0.62868%0.675SS**SBendtrans-139.9125.617200000111.5K270K270-A273 PolarHBondContact O-N 2.81Å
274H34.8Very low45.9Very low186 Ų186130 Ų13086%0.86169%0.694SS**  trans-32.8131.2-174.5-92.3-91.6000116.3T276H274-T276 PolarHBondContact O-N 3.39Å
275I44.2Very low44Very low169 Ų169130 Ų13087%0.86770%0.698SS**  trans-46.3105.8171.4-60.2166.3000110.3
276T33.2Very low42.3Very low131 Ų131131.2 Ų131.280%0.80471%0.712SS**  trans-128.6122.9155.7-48.50000108.5H274 S278H274-T276 PolarHBondContact O-N 3.39Å; T276-S278 PolarHBondContact O-N 3.03Å
277Q41.3Very low41Very low190 Ų190137.8 Ų137.889%0.88874%0.741SS**  trans-70.390.9-166.8-158.6170.314.100110.9R279Q277-R279 PolarHBondContact O-N 3.04Å
278S32.2Very low39.8Very low100 Ų100139.9 Ų139.970%0.69975%0.748SS**  trans-80.5102.2169.1172.50000109.5T276 C280T276-S278 PolarHBondContact O-N 3.03Å; S278-C280 PolarHBondContact O-N 3.45Å
279R36.6Very low39.4Very low249 Ų249145.8 Ų145.894%0.9476%0.763SS**  trans-71.289172.7-172.2179.2-176.6176.30.5108.6Q277Q277-R279 PolarHBondContact O-N 3.04Å
280C30.6Very low39.5Very low111 Ų111144.1 Ų144.175%0.7576%0.756SS**  trans-103.9132.2172.8-131.60000110.2S278 T282S278-C280 PolarHBondContact O-N 3.45Å; C280-T282 PolarHBondContact O-N 3.24Å
281L31.7Very low40.3Very low174 Ų174146.6 Ų146.691%0.91177%0.766SS**  trans-50.3113.2-167.5-69.5150.2000112.9S283L281-S283 PolarHBondContact O-N 3.36Å
282T31.1Very low41.8Very low132 Ų132142.7 Ų142.781%0.8175%0.746SS**  trans-66.3103.416042.20000108.6C280C280-T282 PolarHBondContact O-N 3.24Å
283S31.9Very low44Very low99 Ų99137.7 Ų137.769%0.69272%0.721SS**  trans-87.1122.1148.267.10000106.6L281 I285L281-S283 PolarHBondContact O-N 3.36Å; S283-I285 PolarHBondContact O-N 2.84Å
284D31.3Very low46.5Very low159 Ų159134.3 Ų134.385%0.8569%0.693SS**  trans-46.399.7175.4-66.7-46.2000111.2S286D284-S286 PolarHBondContact O-N 3.48Å; D284-S286 VanDerWaalsContact O-N 3.1Å
285I39.3Very low49.1Very low110 Ų110129.1 Ų129.156%0.56467%0.674SS**  trans-79.789.5161.3-59.1174.2000103.8S283 E287S283-I285 PolarHBondContact O-N 2.84Å; I285-E287 PolarHBondContact O-N 3.45Å
286S36.7Very low51.4Low90 Ų90121.5 Ų121.563%0.62964%0.635SS**  trans-47.7125.3157.3179.10000106.7D284 E288D284-S286 PolarHBondContact O-N 3.48Å; D284-S286 VanDerWaalsContact O-N 3.1Å; S286-E288 PolarHBondContact O-N 3.45Å
287E41.2Very low54.1Low188 Ų188116 Ų11688%0.87960%0.602SS**  trans-66.665167-67.2-173.8173.300108.4I285 R289I285-E287 PolarHBondContact O-N 3.45Å; E287-R289 PolarHBondContact O-N 2.94Å
288E42.3Very low56.4Low152 Ų152114.8 Ų114.871%0.7159%0.589SS**  trans-61110.3162.7-90.7-169.1154.700105.3S286 G290S286-E288 PolarHBondContact O-N 3.45Å; E288-G290 PolarHBondContact O-N 2.89Å
289R50.7Low59.3Low250 Ų250111.1 Ų111.194%0.94356%0.564SS**  trans-63.172.6166.6-155.2-172.2-59.4-1151.5106.9E287E287-R289 PolarHBondContact O-N 2.94Å
290G57.5Low62Low28 Ų28100 Ų10029%0.28952%0.523SS..  trans-58152.2-176.100000109.5E288 M292E288-G290 PolarHBondContact O-N 2.89Å; G290-M292 PolarHBondContact O-N 3.21Å
291K68.2Low64.7Low177 Ų17798.3 Ų98.377%0.7751%0.511SS*.  trans-60.8116.6175.8-68.3179.7-178.4176.60108V293K291-V293 PolarHBondContact O-N 2.85Å
292M82.6Confident67.6Low63 Ų6391.2 Ų91.231%0.3147%0.474SS..SBendtrans-63-5.9174.2-169-179.4-17900112.5R105 W106 L128 Y253 G290R105-M292 WeakPolarHBondContact CA-O 3.03Å; R105-M292 HydrophobicContact CG-CE 4.32Å; R105-M292 HydrophobicContact CG-CG 4.05Å; R105-M292 HydrophobicContact CG-SD 4.39Å; W106-M292 PolarHBondContact N-O 3.46Å; W106-M292 WeakPolarHBondContact O-CE 3.4Å; W106-M292 WeakPolarHBondContact O-CG 3.47Å; L128-M292 HydrophobicContact CD1-CE 4.23Å; Y253-M292 HydrophobicContact CE1-CB 4.18Å; Y253-M292 HydrophobicContact CE1-CG 4Å; G290-M292 PolarHBondContact O-N 3.21Å
293V88.1Confident70.3Confident58 Ų5888.2 Ų88.235%0.35246%0.459SS..EExtended strand (participates in β ladder)trans-115127.8-179.9-178.30000109.2E103 V104 R105 K291E103-V293 HydrophobicContact CB-CG1 3.86Å; E103-V293 HydrophobicContact CG-CG1 4.32Å; E103-V293 WeakPolarHBondContact OE2-CG1 3.32Å; V104-V293 VanDerWaalsContact O-CA 3.3Å; V104-V293 WeakPolarHBondContact O-CA 3.16Å; R105-V293 HydrophobicContact CG-CG2 4.38Å; K291-V293 PolarHBondContact O-N 2.85Å
294S90.5Very high73.1Confident5 Ų584.5 Ų84.54%0.03543%0.432CS..EExtended strand (participates in β ladder)trans-109133172.9-60.20000109.9E103 V104 W106 E250E103-S294 CarbonylContact C-O 3.45Å; E103-S294 VanDerWaalsContact CA-O 3.29Å; E103-S294 WeakPolarHBondContact CA-O 3.5Å; V104-S294 PolarHBondContact N-O 3.09Å; V104-S294 PolarHBondContact O-N 2.86Å; W106-S294 PolarHBondContact NE1-OG 2.72Å; E250-S294 VanDerWaalsContact O-CB 3.27Å; E250-S294 WeakPolarHBondContact O-CB 3.4Å; E250-S294 PolarHBondContact O-OG 3.39Å
295V90.9Very high75.6Confident77 Ų7781.6 Ų81.647%0.46742%0.422SS..EExtended strand (participates in β ladder)trans-77.4129.3169.7-177.50000108.2E103E103-V295 HydrophobicContact CG-CG2 4.22Å
296L91.1Very high78Confident8 Ų877.8 Ų77.84%0.04240%0.404CS..PPolyproline II helixtrans-78.2137.9-179.6-65.8-173.7000111.4I101 T102 V104 A132 F147 L148 W251 R298I101-L296 HydrophobicContact CG2-CD1 3.79Å; T102-L296 PolarHBondContact O-N 2.77Å; V104-L296 HydrophobicContact CB-CD2 4.43Å; V104-L296 HydrophobicContact CG1-CD1 3.77Å; V104-L296 HydrophobicContact CG1-CD2 3.79Å; V104-L296 HydrophobicContact CG1-CG 3.91Å; V104-L296 HydrophobicContact CG2-CD2 3.79Å; V104-L296 HydrophobicContact CG2-CG 4.5Å; A132-L296 HydrophobicContact CB-CD2 4.47Å; F147-L296 HydrophobicContact CB-CD2 3.89Å; F147-L296 HydrophobicContact CD2-CD2 4.32Å; F147-L296 HydrophobicContact CG-CD2 4.35Å; L148-L296 WeakPolarHBondContact O-CD1 3.3Å; W251-L296 HydrophobicContact CH2-CD2 3.91Å; W251-L296 HydrophobicContact CZ3-CD2 4.47Å; L296-R298 PolarHBondContact O-N 3.36Å
297P90.1Very high80.3Confident17 Ų1776 Ų7611%0.1139%0.391CS..PPolyproline II helixtrans-56.1134.8172.5-26.334.4000112.1F147 C149 W251F147-P297 HydrophobicContact CE1-CG 4.26Å; F147-P297 HydrophobicContact CE2-CB 3.86Å; F147-P297 HydrophobicContact CE2-CG 3.86Å; F147-P297 HydrophobicContact CZ-CB 3.83Å; F147-P297 HydrophobicContact CZ-CG 3.66Å; C149-P297 PolarHBondContact SG-O 3Å; W251-P297 HydrophobicContact CZ2-CG 4.22Å
298R90.8Very high82.4Confident164 Ų16474.1 Ų74.162%0.61938%0.381SS*.PPolyproline II helixtrans-93.9145.9178.4-64.4-175.9-179.1-173-0.3111.1Y81 P82 L296Y81-R298 WeakPolarHBondContact CD1-O 3.35Å; P82-R298 WeakPolarHBondContact CD-O 3.08Å; L296-R298 PolarHBondContact O-N 3.36Å
299A92.5Very high84.3Confident22 Ų2268.7 Ų68.718%0.18236%0.357CS..PPolyproline II helixtrans-70.2145.3174.400000112P82 L84 K150 S152P82-A299 CarbonylContact O-C 3.6Å; P82-A299 WeakPolarHBondContact O-CA 3.34Å; L84-A299 HydrophobicContact CB-CB 3.93Å; L84-A299 HydrophobicContact CD1-CB 4.08Å; L84-A299 HydrophobicContact CG-CB 4.15Å; K150-A299 WeakPolarHBondContact O-CB 3.22Å; S152-A299 WeakPolarHBondContact OG-CB 3.32Å
300L92.1Very high86.1Confident15 Ų1557.4 Ų57.48%0.07932%0.315CS..PPolyproline II helixtrans-68.5150.3173.3-71.6175000111.6C30 Y81 P82 F83 S152 W436C30-L300 HydrophobicContact CB-CD1 4.1Å; C30-L300 WeakPolarHBondContact O-CD1 3.32Å; Y81-L300 HydrophobicContact CG-CD2 4.33Å; P82-L300 PolarHBondContact O-N 2.78Å; F83-L300 HydrophobicContact CD2-CB 4.34Å; S152-L300 WeakPolarHBondContact CB-O 2.95Å; S152-L300 PolarHBondContact OG-O 3.31Å; L300-W436 HydrophobicContact CD1-CG 4.29Å; L300-W436 HydrophobicContact CD2-CB 3.86Å; L300-W436 HydrophobicContact CD2-CG 4.24Å
301P89.4Confident87.3Confident76 Ų7660.3 Ų60.349%0.49432%0.317SS..PPolyproline II helixtrans-62.6152.8178.427.3-35.2000112S303P301-S303 PolarHBondContact O-N 2.84Å
302L90.6Very high88.1Confident26 Ų2653.3 Ų53.314%0.13629%0.286CS..SBendtrans-64-24.6179.1-67.3179.7000113.4H58 F83 K154H58-L302 HydrophobicContact CB-CD2 4.45Å; F83-L302 HydrophobicContact CZ-CD2 4.27Å; K154-L302 HydrophobicContact CG-CD1 3.96Å
303S89.2Confident88Confident69 Ų6953.3 Ų53.348%0.48329%0.287SS..SBendtrans-118133.9177.754.60000110.8P301P301-S303 PolarHBondContact O-N 2.84Å
304C89.8Confident87.4Confident20 Ų2055.5 Ų55.514%0.13529%0.292CS..  trans-75.1133171.2-174.60000110.9S32 V306 P307 H310 C435S32-C304 WeakPolarHBondContact OG-CB 2.92Å; C304-V306 VanDerWaalsContact C-N 3.33Å; C304-V306 VanDerWaalsContact SG-C 3.53Å; C304-V306 PolarHBondContact SG-N 3.35Å; C304-V306 VanDerWaalsContact SG-N 3.37Å; C304-P307 HydrophobicContact CB-CB 4.41Å; C304-H310 PolarHBondContact SG-NE2 2.98Å; C304-H310 VanDerWaalsContact SG-NE2 3.36Å; C304-C435 WeakPolarHBondContact SG-CB 3.38Å
305P85.5Confident86Confident98 Ų9860.7 Ų60.764%0.63631%0.311SS*.SBendtrans-73.3-23.9174.228.5-33.3000113.2
306V87.7Confident84.3Confident31 Ų3161.8 Ų61.819%0.18831%0.314CS..  trans-132.861-175.4-67.60000111.9C304 H308 L309 C435 M438C304-V306 VanDerWaalsContact C-N 3.33Å; C304-V306 VanDerWaalsContact SG-C 3.53Å; C304-V306 PolarHBondContact SG-N 3.35Å; C304-V306 VanDerWaalsContact SG-N 3.37Å; V306-H308 PolarHBondContact O-N 3.36Å; V306-H308 VanDerWaalsContact O-N 3.13Å; V306-L309 HydrophobicContact CB-CD1 4.03Å; V306-L309 HydrophobicContact CB-CG 4.36Å; V306-L309 HydrophobicContact CG2-CD1 3.72Å; V306-L309 HydrophobicContact CG2-CG 4.43Å; V306-L309 PolarHBondContact O-N 3.47Å; V306-L309 VanDerWaalsContact O-N 3.13Å; V306-C435 HydrophobicContact CG2-CB 3.69Å; V306-C435 WeakPolarHBondContact CG2-O 3.26Å; V306-M438 HydrophobicContact CG2-CB 4.5Å; V306-M438 HydrophobicContact CG2-CG 4.46Å
307P86.7Confident82Confident53 Ų5363.7 Ų63.734%0.34433%0.329SS..G310 helixtrans-66.4-16-175.828.8-36.3000113.6C304 L309 H310C304-P307 HydrophobicContact CB-CB 4.41Å; P307-L309 PolarHBondContact O-N 3.17Å; P307-H310 VanDerWaalsContact O-CB 3.31Å; P307-H310 WeakPolarHBondContact O-CB 3.45Å; P307-H310 PolarHBondContact O-N 2.88Å; P307-H310 VanDerWaalsContact O-N 3.09Å
308H84Confident79.7Confident148 Ų14870 Ų7069%0.68536%0.36SS*.G310 helixtrans-66-16.6174.563.6-93.1000113V306 H310V306-H308 PolarHBondContact O-N 3.36Å; V306-H308 VanDerWaalsContact O-N 3.13Å; H308-H310 VanDerWaalsContact C-N 3.33Å
309L83.4Confident77.4Confident38 Ų3868.2 Ų68.220%0.19936%0.363CS..G310 helixtrans-85.7-4.8173.8-60.7177.1000113.1V306 P307 R311 I433 C435 M438V306-L309 HydrophobicContact CB-CD1 4.03Å; V306-L309 HydrophobicContact CB-CG 4.36Å; V306-L309 HydrophobicContact CG2-CD1 3.72Å; V306-L309 HydrophobicContact CG2-CG 4.43Å; V306-L309 PolarHBondContact O-N 3.47Å; V306-L309 VanDerWaalsContact O-N 3.13Å; P307-L309 PolarHBondContact O-N 3.17Å; L309-R311 PolarHBondContact O-N 2.94Å; L309-I433 HydrophobicContact CD1-CG2 4.08Å; L309-I433 HydrophobicContact CD2-CG2 4.34Å; L309-C435 HydrophobicContact CB-CB 4.39Å; L309-M438 HydrophobicContact CD1-CE 3.62Å; L309-M438 HydrophobicContact CD1-CG 3.85Å
310H87.3Confident75Confident13 Ų1375.1 Ų75.16%0.0639%0.391CS..  trans-71.5120.5175.5-62170.5000109.9C30 E33 C304 P307 H308 W312 C435C30-H310 PolarHBondContact SG-NE2 3.49Å; C30-H310 VanDerWaalsContact SG-NE2 3.36Å; E33-H310 IonicContact OE2-CE1 3.31Å; E33-H310 IonicContact OE2-CG 2.83Å; E33-H310 IonicContact OE2-ND1 2.92Å; E33-H310 PolarHBondContact OE2-ND1 2.97Å; C304-H310 PolarHBondContact SG-NE2 2.98Å; C304-H310 VanDerWaalsContact SG-NE2 3.36Å; P307-H310 VanDerWaalsContact O-CB 3.31Å; P307-H310 WeakPolarHBondContact O-CB 3.45Å; P307-H310 PolarHBondContact O-N 2.88Å; P307-H310 VanDerWaalsContact O-N 3.09Å; H308-H310 VanDerWaalsContact C-N 3.33Å; H310-W312 HydrophobicContact CB-CZ2 4.04Å; H310-C435 VanDerWaalsContact CD2-SG 3.6Å; H310-C435 PolarHBondContact NE2-SG 3.29Å
311R82.6Confident72.2Confident89 Ų8986 Ų8634%0.33643%0.431SS..  trans-96.6142.9174.1-59.7-167.3-170.1115.511.2110.7L309 E330 N430L309-R311 PolarHBondContact O-N 2.94Å; R311-E330 IonicContact NH1-OE1 2.8Å; R311-E330 PolarHBondContact NH1-OE1 3.31Å; R311-N430 VanDerWaalsContact CZ-CB 3.44Å; R311-N430 PolarHBondContact NH1-O 3.16Å; R311-N430 PolarHBondContact NH2-O 2.79Å; R311-N430 VanDerWaalsContact NH2-O 3.08Å; R311-N430 PolarHBondContact NH2-OD1 2.94Å; R311-N430 VanDerWaalsContact NH2-OD1 3.1Å
312W86.1Confident69.5Low29 Ų2991.4 Ų91.411%0.1145%0.449CS..  trans-132.5130.8-179.8-55.4101.9000108.4Q26 E33 L35 H310 F314Q26-W312 HydrophobicContact CB-CE3 3.88Å; Q26-W312 HydrophobicContact CB-CZ3 3.82Å; E33-W312 HydrophobicContact CB-CH2 4.07Å; E33-W312 HydrophobicContact CB-CZ2 3.94Å; L35-W312 HydrophobicContact CB-CD2 4.14Å; L35-W312 HydrophobicContact CB-CE3 3.46Å; L35-W312 VanDerWaalsContact CB-CE3 3.46Å; L35-W312 HydrophobicContact CB-CH2 4.38Å; L35-W312 HydrophobicContact CB-CZ3 3.61Å; L35-W312 HydrophobicContact CD2-CB 3.93Å; L35-W312 HydrophobicContact CD2-CD2 4.3Å; L35-W312 HydrophobicContact CD2-CE3 4.01Å; L35-W312 HydrophobicContact CD2-CG 4.3Å; L35-W312 HydrophobicContact CG-CE3 4.4Å; H310-W312 HydrophobicContact CB-CZ2 4.04Å; W312-F314 HydrophobicContact CB-CE1 4.33Å; W312-F314 HydrophobicContact CB-CE2 3.98Å; W312-F314 HydrophobicContact CB-CZ 3.75Å
313N79.9Confident66.9Low64 Ų6493.3 Ų93.334%0.34246%0.464SS..  trans-97.5119175.6-60.3-59.3000108.2Q26 P329Q26-N313 PolarHBondContact NE2-O 3.46Å; N313-P329 VanDerWaalsContact ND2-CB 3.26Å; N313-P329 WeakPolarHBondContact ND2-CB 3.38Å; N313-P329 WeakPolarHBondContact ND2-CG 3.11Å
314F75.1Confident65Low103 Ų10396.5 Ų96.545%0.45248%0.476SS..  trans-96.8131.2177.7-59.7-74000108.6L35 W312 D316L35-F314 HydrophobicContact CD1-CE1 4.37Å; L35-F314 HydrophobicContact CD2-CD1 4.02Å; L35-F314 HydrophobicContact CD2-CE1 3.57Å; L35-F314 HydrophobicContact CD2-CZ 4.32Å; W312-F314 HydrophobicContact CB-CE1 4.33Å; W312-F314 HydrophobicContact CB-CE2 3.98Å; W312-F314 HydrophobicContact CB-CZ 3.75Å; F314-D316 PolarHBondContact O-N 3.33Å
315W60.9Low63.2Low114 Ų114100.6 Ų100.643%0.43249%0.493SS..  trans-76.3107.2174.3-6996.7000109E37E37-W315 VanDerWaalsContact OE2-CD1 3.29Å; E37-W315 PolarHBondContact OE2-N 3.38Å
316D55Low61.8Low100 Ų10097.4 Ų97.454%0.53547%0.469SS..  trans-87.8120168.8-82-22.2000109.8F314 L318 L319F314-D316 PolarHBondContact O-N 3.33Å; D316-L318 PolarHBondContact O-N 2.96Å; D316-L319 PolarHBondContact O-N 3.04Å; D316-L319 VanDerWaalsContact O-N 3.11Å
317S43.7Very low60.8Low49 Ų4999 Ų9934%0.34348%0.481SS..G310 helixtrans-53.2-19.7-177.2-470000114.3P46P46-S317 VanDerWaalsContact O-CB 3.26Å; P46-S317 WeakPolarHBondContact O-CB 3.21Å
318L41.6Very low60.2Low149 Ų14997 Ų9778%0.7847%0.467SS*.G310 helixtrans-76.2-22.9-178.5-69167.5000113.9D316D316-L318 PolarHBondContact O-N 2.96Å
319L42.9Very low59.7Low127 Ų12792 Ų9267%0.66545%0.447SS*.G310 helixtrans-90.1-0.4-178-72166000113.7D316 R321 Q322D316-L319 PolarHBondContact O-N 3.04Å; D316-L319 VanDerWaalsContact O-N 3.11Å; L319-R321 PolarHBondContact O-N 3.29Å; L319-R321 VanDerWaalsContact O-N 3.08Å; L319-Q322 PolarHBondContact O-N 3.27Å
320Q42.3Very low59.5Low166 Ų16691.1 Ų91.178%0.77644%0.442SS*.THydrogen-bonded Turntrans-63.9-17.6-173.1-164.2165.713.900114.1
321R32.3Very low59.2Low245 Ų24591.2 Ų91.293%0.92544%0.443SS*.THydrogen-bonded Turntrans-86.4-11.3-175.3-117.2-179.4-131.1-174.33.1115.5L319L319-R321 PolarHBondContact O-N 3.29Å; L319-R321 VanDerWaalsContact O-N 3.08Å
322Q33.6Very low59.5Low188 Ų18887 Ų8788%0.87943%0.427SS*.THydrogen-bonded Turntrans-138.44.7-174.1-102.5175.2-300114.7L319 D324L319-Q322 PolarHBondContact O-N 3.27Å; Q322-D324 PolarHBondContact O-N 2.78Å; Q322-D324 VanDerWaalsContact O-N 3.14Å
323C35.4Very low59.7Low66 Ų6686.9 Ų86.945%0.44643%0.427SS..  trans-74.8106.9174.2-113.80000109.6E325 S327C323-E325 PolarHBondContact O-N 3.06Å; C323-S327 PolarHBondContact SG-OG 2.77Å
324D48.7Very low60.3Low136 Ų13684.3 Ų84.373%0.72741%0.413SS*.  trans-48.1138.4158.4-76.7-34.3000108.6Q322 Y326 S327Q322-D324 PolarHBondContact O-N 2.78Å; Q322-D324 VanDerWaalsContact O-N 3.14Å; D324-Y326 PolarHBondContact O-N 2.82Å; D324-S327 PolarHBondContact O-N 2.9Å
325E53.3Low61.2Low107 Ų10779.4 Ų79.450%0.539%0.392SS..THydrogen-bonded Turntrans-55.20.4-178-174.3-176.9-156.600114.2R6 C323R6-E325 PolarHBondContact NH1-O 3.28Å; R6-E325 PolarHBondContact NH2-O 3.31Å; C323-E325 PolarHBondContact O-N 3.06Å
326Y56.3Low62.8Low30 Ų3077.1 Ų77.112%0.11838%0.383CS..THydrogen-bonded Turntrans-135.829.5-170.5-51.9-82000114.3D324 Y328 Q412D324-Y326 PolarHBondContact O-N 2.82Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.3Å; Y326-Y328 PolarHBondContact O-N 3.3Å; Y326-Q412 HydrophobicContact CE1-CG 3.95Å
327S65.1Low64.5Low65 Ų6574.1 Ų74.146%0.45536%0.364SS..  trans-75.7105.7166.455.30000109.9C323 D324C323-S327 PolarHBondContact SG-OG 2.77Å; D324-S327 PolarHBondContact O-N 2.9Å
328Y74.8Confident66.6Low12 Ų1278.3 Ų78.35%0.04738%0.376CS..  trans-97.1139170.9-53.1-85.1000110.3R6 V8 Y10 Y326 E330 V332 V335 I416 H419R6-Y328 PolarHBondContact NH2-OH 3.2Å; V8-Y328 HydrophobicContact CG1-CD1 3.92Å; V8-Y328 HydrophobicContact CG1-CE1 3.93Å; V8-Y328 HydrophobicContact CG2-CD1 4.3Å; V8-Y328 HydrophobicContact CG2-CE1 3.81Å; Y10-Y328 HydrophobicContact CE1-CD1 4.26Å; Y326-Y328 WeakPolarHBondContact O-CD2 3.3Å; Y326-Y328 PolarHBondContact O-N 3.3Å; Y328-E330 VanDerWaalsContact C-N 3.34Å; Y328-V332 HydrophobicContact CD1-CG2 3.59Å; Y328-V332 HydrophobicContact CD2-CG2 3.76Å; Y328-V332 HydrophobicContact CE1-CG2 3.98Å; Y328-V332 HydrophobicContact CE2-CG2 4.15Å; Y328-V332 HydrophobicContact CG-CG2 3.43Å; Y328-V332 VanDerWaalsContact CG-CG2 3.43Å; Y328-V335 HydrophobicContact CE1-CG2 4.24Å; Y328-I416 HydrophobicContact CE2-CB 4.35Å; Y328-I416 HydrophobicContact CE2-CG1 3.97Å; Y328-I416 HydrophobicContact CE2-CG2 3.85Å; Y328-I416 WeakPolarHBondContact OH-CD1 3.46Å; Y328-I416 WeakPolarHBondContact OH-CG1 3.48Å; Y328-H419 WeakPolarHBondContact CB-NE2 3.32Å; Y328-H419 HydrophobicContact CD2-CB 4.29Å; Y328-H419 AromaticContact CD2-CD2 3.55Å; Y328-H419 AromaticContact CD2-CG 3.74Å; Y328-H419 PolarHBondContact N-CE1 3.31Å; Y328-H419 VanDerWaalsContact N-CE1 3.29Å; Y328-H419 PolarHBondContact O-CE1 2.87Å; Y328-H419 PolarHBondContact O-NE2 2.94Å
329P73.5Confident68.8Low41 Ų4172.9 Ų72.927%0.26636%0.356SS..SBendtrans-73.3-27.917830.5-36.3000112.2Y10 N313 M423Y10-P329 HydrophobicContact CE1-CG 4.11Å; Y10-P329 HydrophobicContact CE2-CG 4.33Å; Y10-P329 WeakPolarHBondContact OH-CD 3.22Å; N313-P329 VanDerWaalsContact ND2-CB 3.26Å; N313-P329 WeakPolarHBondContact ND2-CB 3.38Å; N313-P329 WeakPolarHBondContact ND2-CG 3.11Å; P329-M423 VanDerWaalsContact O-CE 3.26Å; P329-M423 WeakPolarHBondContact O-CE 3.47Å
330E78.6Confident71.1Confident21 Ų2167.6 Ų67.610%0.09833%0.329CS..SBendtrans-139.9172.9-173.5-58.7-159170.100112.2Y10 R311 Y328 V332Y10-E330 HydrophobicContact CD1-CB 3.79Å; Y10-E330 HydrophobicContact CE1-CB 4.39Å; Y10-E330 HydrophobicContact CG-CB 4.1Å; R311-E330 IonicContact NH1-OE1 2.8Å; R311-E330 PolarHBondContact NH1-OE1 3.31Å; Y328-E330 VanDerWaalsContact C-N 3.34Å; E330-V332 PolarHBondContact O-N 2.84Å
331Q82.8Confident73.6Confident15 Ų1561.1 Ų61.17%0.0730%0.301CS..  trans-64.8127.7177.4-72.8-178.319.500110.6Y10 E11 M423Y10-Q331 CarbonylContact C-O 3.55Å; Y10-Q331 VanDerWaalsContact CA-O 3.3Å; Y10-Q331 WeakPolarHBondContact CA-O 3.37Å; E11-Q331 HydrophobicContact CB-CB 4.27Å; E11-Q331 HydrophobicContact CG-CB 4Å; E11-Q331 PolarHBondContact N-O 3.29Å; Q331-M423 HydrophobicContact CG-CB 4.32Å
332V88.6Confident76.5Confident0 Ų049.5 Ų49.50%026%0.258CS..EExtended strand (participates in β ladder)trans-89.3122.8-172.61780000110.4V8 Y10 Y328 E330 V335 F344 H346 I416V8-V332 HydrophobicContact CG1-CG1 4.09Å; V8-V332 HydrophobicContact CG1-CG2 4.23Å; Y10-V332 HydrophobicContact CD1-CG2 4.28Å; Y10-V332 HydrophobicContact CE1-CG2 4.09Å; Y328-V332 HydrophobicContact CD1-CG2 3.59Å; Y328-V332 HydrophobicContact CD2-CG2 3.76Å; Y328-V332 HydrophobicContact CE1-CG2 3.98Å; Y328-V332 HydrophobicContact CE2-CG2 4.15Å; Y328-V332 HydrophobicContact CG-CG2 3.43Å; Y328-V332 VanDerWaalsContact CG-CG2 3.43Å; E330-V332 PolarHBondContact O-N 2.84Å; V332-V335 HydrophobicContact CG1-CG2 3.34Å; V332-F344 HydrophobicContact CG1-CD2 3.89Å; V332-F344 HydrophobicContact CG1-CE2 3.98Å; V332-F344 VanDerWaalsContact O-CB 3.24Å; V332-F344 WeakPolarHBondContact O-CB 3.38Å; V332-H346 PolarHBondContact O-NE2 2.82Å; V332-I416 HydrophobicContact CB-CG2 4.3Å; V332-I416 HydrophobicContact CG1-CG2 4.31Å; V332-I416 HydrophobicContact CG2-CG2 4.45Å
333K89.6Confident79.3Confident27 Ų2741.6 Ų41.612%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-90.3-41.7174.6179.5171.1170.6-178.90111.9L9 E11 D13 S78 F344L9-K333 HydrophobicContact CD2-CD 4Å; L9-K333 HydrophobicContact CD2-CG 4.26Å; L9-K333 HydrophobicContact CG-CB 4.35Å; L9-K333 HydrophobicContact CG-CD 4.28Å; L9-K333 WeakPolarHBondContact O-CA 3.45Å; L9-K333 WeakPolarHBondContact O-CB 3.46Å; L9-K333 PolarHBondContact O-N 3.44Å; E11-K333 HydrophobicContact CG-CB 4.32Å; E11-K333 WeakPolarHBondContact OE1-CB 3.46Å; E11-K333 WeakPolarHBondContact OE1-CG 3.37Å; D13-K333 IonicContact OD1-NZ 2.78Å; D13-K333 PolarHBondContact OD1-NZ 2.75Å; S78-K333 VanDerWaalsContact O-CE 3.29Å; S78-K333 WeakPolarHBondContact O-CE 3.25Å; S78-K333 PolarHBondContact O-NZ 2.79Å; K333-F344 PolarHBondContact O-N 3.38Å
334M93Very high81.8Confident9 Ų938.9 Ų38.94%0.04420%0.2CC..EExtended strand (participates in β ladder)trans-149.8142.9177.8-170.7178.2-70.400111.5V8 L9 F74 S78 T341 Y342 R343V8-M334 CarbonylContact C-O 3.59Å; V8-M334 WeakPolarHBondContact CA-O 3.31Å; L9-M334 HydrophobicContact CB-CB 4.1Å; L9-M334 HydrophobicContact CD2-CB 4.42Å; L9-M334 PolarHBondContact N-O 3.35Å; L9-M334 PolarHBondContact O-N 3.22Å; F74-M334 HydrophobicContact CE2-CG 4.34Å; F74-M334 HydrophobicContact CE2-SD 3.86Å; F74-M334 HydrophobicContact CZ-CB 4.38Å; F74-M334 HydrophobicContact CZ-CG 4.15Å; F74-M334 HydrophobicContact CZ-SD 4.17Å; S78-M334 WeakPolarHBondContact OG-CE 3.35Å; M334-T341 HydrophobicContact CE-CG2 4.4Å; M334-T341 HydrophobicContact CG-CG2 3.77Å; M334-T341 HydrophobicContact SD-CG2 3.69Å; M334-Y342 CarbonylContact C-O 3.51Å; M334-Y342 VanDerWaalsContact CA-O 3.27Å; M334-Y342 WeakPolarHBondContact CA-O 3.39Å; M334-Y342 WeakPolarHBondContact CG-O 3.12Å; M334-R343 HydrophobicContact CE-CB 4.41Å; M334-R343 HydrophobicContact CE-CG 4.1Å
335V94.2Very high83.3Confident0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-124.9129.5169.3-174.70000108.7R6 M7 V8 Y328 V332 T341 Y342 F344 I416R6-V335 HydrophobicContact CG-CG1 4.29Å; M7-V335 CarbonylContact O-C 3.59Å; M7-V335 WeakPolarHBondContact O-CA 3.3Å; V8-V335 HydrophobicContact CG1-CG2 4.36Å; V8-V335 HydrophobicContact CG2-CG1 4.39Å; Y328-V335 HydrophobicContact CE1-CG2 4.24Å; V332-V335 HydrophobicContact CG1-CG2 3.34Å; V335-T341 CarbonylContact O-C 3.49Å; V335-T341 WeakPolarHBondContact O-CA 3.37Å; V335-Y342 HydrophobicContact CB-CD2 4.33Å; V335-Y342 PolarHBondContact N-O 2.8Å; V335-Y342 PolarHBondContact O-N 3.05Å; V335-F344 HydrophobicContact CG2-CE2 4.15Å; V335-I416 HydrophobicContact CB-CD1 4.49Å; V335-I416 HydrophobicContact CG2-CD1 4.11Å
336W94.4Very high84.3Confident67 Ų6730 Ų3025%0.25416%0.156SC..EExtended strand (participates in β ladder)trans-107.2127.1164.8-178.590.7000108.6E4 R6 M7 F74 G339 V340E4-W336 HydrophobicContact CB-CZ3 4.1Å; E4-W336 WeakPolarHBondContact O-CZ3 3.28Å; R6-W336 CarbonylContact C-O 3.34Å; R6-W336 VanDerWaalsContact CA-O 3.26Å; R6-W336 WeakPolarHBondContact CA-O 3.18Å; M7-W336 HydrophobicContact CB-CB 4.26Å; M7-W336 HydrophobicContact CG-CE3 4.25Å; M7-W336 PolarHBondContact N-O 3.15Å; M7-W336 PolarHBondContact O-N 2.75Å; F74-W336 HydrophobicContact CE2-CB 3.85Å; F74-W336 HydrophobicContact CZ-CB 4.24Å; W336-G339 VanDerWaalsContact CZ2-N 3.28Å; W336-V340 CarbonylContact C-O 3.54Å; W336-V340 WeakPolarHBondContact CA-O 3.31Å
337Y90.9Very high84.8Confident37 Ų3734 Ų3415%0.14518%0.176CC..EExtended strand (participates in β ladder)trans-142.4118.5179.7-179.8-105.6000110L5 R6 G339 V340L5-Y337 HydrophobicContact CG-CE2 4.48Å; R6-Y337 HydrophobicContact CB-CD2 4.05Å; R6-Y337 HydrophobicContact CG-CD2 4.1Å; Y337-G339 PolarHBondContact O-N 3.11Å; Y337-G339 VanDerWaalsContact O-N 3.15Å; Y337-V340 PolarHBondContact N-O 3.25Å; Y337-V340 PolarHBondContact O-N 3.28Å
338K86.2Confident84.5Confident136 Ų13636.9 Ų36.959%0.59119%0.186SC*.THydrogen-bonded Turntrans46.944.4177.2-64-179.3175.6165.60113.7L5 V340L5-K338 HydrophobicContact CD1-CG 4.24Å; L5-K338 PolarHBondContact O-N 3.32Å; K338-V340 VanDerWaalsContact C-N 3.34Å; K338-V340 PolarHBondContact O-N 2.78Å
339G87.5Confident84Confident35 Ų3539.9 Ų39.936%0.36120%0.201SC..THydrogen-bonded Turntrans89.3-14.2179.200000115.5W336 Y337W336-G339 VanDerWaalsContact CZ2-N 3.28Å; Y337-G339 PolarHBondContact O-N 3.11Å; Y337-G339 VanDerWaalsContact O-N 3.15Å
340V93Very high84.2Confident16 Ų1638.4 Ų38.410%0.09719%0.191CC..EExtended strand (participates in β ladder)trans-92.8132.3178.1-175.90000110.4W336 Y337 K338 Y342 I354 Y355 L409W336-V340 CarbonylContact C-O 3.54Å; W336-V340 WeakPolarHBondContact CA-O 3.31Å; Y337-V340 PolarHBondContact N-O 3.25Å; Y337-V340 PolarHBondContact O-N 3.28Å; K338-V340 VanDerWaalsContact C-N 3.34Å; K338-V340 PolarHBondContact O-N 2.78Å; V340-Y342 HydrophobicContact CB-CE2 4.06Å; V340-Y342 HydrophobicContact CG1-CD2 4.23Å; V340-Y342 HydrophobicContact CG1-CE1 4.41Å; V340-Y342 HydrophobicContact CG1-CE2 3.67Å; V340-I354 HydrophobicContact CG1-CG2 3.59Å; V340-Y355 WeakPolarHBondContact CA-O 3.48Å; V340-L409 HydrophobicContact CG1-CD2 4.06Å; V340-L409 HydrophobicContact CG2-CD2 3.98Å
341T94Very high84.5Confident31 Ų3139.3 Ų39.319%0.1920%0.2CC..EExtended strand (participates in β ladder)trans-104.4126.2174.9-53.20000110.8M334 V335 I354 Y355M334-T341 HydrophobicContact CE-CG2 4.4Å; M334-T341 HydrophobicContact CG-CG2 3.77Å; M334-T341 HydrophobicContact SD-CG2 3.69Å; V335-T341 CarbonylContact O-C 3.49Å; V335-T341 WeakPolarHBondContact O-CA 3.37Å; T341-I354 CarbonylContact O-C 3.58Å; T341-I354 WeakPolarHBondContact O-CA 3.38Å; T341-Y355 PolarHBondContact N-O 2.85Å; T341-Y355 PolarHBondContact O-N 3.25Å
342Y93.5Very high84.8Confident1 Ų138.7 Ų38.70%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-107.7113.9172.8-60.9-91.2000108M334 V335 V340 I352 E353 I354 L409 Q412 A413 I416M334-Y342 CarbonylContact C-O 3.51Å; M334-Y342 VanDerWaalsContact CA-O 3.27Å; M334-Y342 WeakPolarHBondContact CA-O 3.39Å; M334-Y342 WeakPolarHBondContact CG-O 3.12Å; V335-Y342 HydrophobicContact CB-CD2 4.33Å; V335-Y342 PolarHBondContact N-O 2.8Å; V335-Y342 PolarHBondContact O-N 3.05Å; V340-Y342 HydrophobicContact CB-CE2 4.06Å; V340-Y342 HydrophobicContact CG1-CD2 4.23Å; V340-Y342 HydrophobicContact CG1-CE1 4.41Å; V340-Y342 HydrophobicContact CG1-CE2 3.67Å; Y342-I352 HydrophobicContact CD1-CD1 3.83Å; Y342-I352 HydrophobicContact CG-CD1 4.44Å; Y342-E353 CarbonylContact C-O 3.46Å; Y342-E353 WeakPolarHBondContact CA-O 3.41Å; Y342-I354 HydrophobicContact CD1-CB 4.33Å; Y342-I354 HydrophobicContact CD1-CD1 4.42Å; Y342-I354 HydrophobicContact CD1-CG1 3.92Å; Y342-I354 HydrophobicContact CD1-CG2 3.84Å; Y342-I354 HydrophobicContact CE1-CB 4.4Å; Y342-I354 HydrophobicContact CE1-CD1 4.13Å; Y342-I354 HydrophobicContact CE1-CG1 4.07Å; Y342-I354 HydrophobicContact CE1-CG2 3.58Å; Y342-L409 VanDerWaalsContact OH-CD2 3.3Å; Y342-L409 WeakPolarHBondContact OH-CD2 3.23Å; Y342-Q412 HydrophobicContact CE1-CB 4.32Å; Y342-Q412 HydrophobicContact CE1-CG 4.25Å; Y342-Q412 HydrophobicContact CE2-CG 4.27Å; Y342-Q412 VanDerWaalsContact OH-CD 3.25Å; Y342-Q412 PolarHBondContact OH-OE1 3.4Å; Y342-A413 HydrophobicContact CD1-CB 4.25Å; Y342-A413 HydrophobicContact CE1-CB 4.22Å; Y342-I416 HydrophobicContact CG-CD1 4.4Å
343R91.6Very high85Confident22 Ų2239.2 Ų39.28%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-107.8127.3-179.6-175.1-178.4-66.5135.92.1109.3E142 C241 M334 I352 E353 Y355E142-R343 IonicContact OE2-CZ 2.75Å; E142-R343 IonicContact OE2-NH1 3.51Å; E142-R343 PolarHBondContact OE2-NH1 2.77Å; E142-R343 IonicContact OE2-NH2 3.95Å; E142-R343 PolarHBondContact OE2-NH2 3Å; C241-R343 PolarHBondContact SG-NH2 3.13Å; C241-R343 VanDerWaalsContact SG-NH2 3.43Å; M334-R343 HydrophobicContact CE-CB 4.41Å; M334-R343 HydrophobicContact CE-CG 4.1Å; R343-I352 CarbonylContact O-C 3.56Å; R343-I352 VanDerWaalsContact O-CA 3.3Å; R343-I352 WeakPolarHBondContact O-CA 3.26Å; R343-I352 WeakPolarHBondContact O-CG1 3.34Å; R343-E353 PolarHBondContact N-O 3.44Å; R343-E353 IonicContact NH1-OE2 3.51Å; R343-E353 PolarHBondContact O-N 3.43Å; R343-Y355 HydrophobicContact CB-CE2 4.25Å; R343-Y355 PolarHBondContact NH1-OH 3.02Å
344F87.7Confident85.2Confident8 Ų837.9 Ų37.94%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-106.3145.2-178.5-65.1-93.2000110.5V332 K333 V335 S351 I352 I416 L417V332-F344 HydrophobicContact CG1-CD2 3.89Å; V332-F344 HydrophobicContact CG1-CE2 3.98Å; V332-F344 VanDerWaalsContact O-CB 3.24Å; V332-F344 WeakPolarHBondContact O-CB 3.38Å; K333-F344 PolarHBondContact O-N 3.38Å; V335-F344 HydrophobicContact CG2-CE2 4.15Å; F344-S351 WeakPolarHBondContact CA-O 3.39Å; F344-I352 HydrophobicContact CD1-CB 3.92Å; F344-I352 HydrophobicContact CD1-CD1 4.16Å; F344-I352 HydrophobicContact CD1-CG1 3.79Å; F344-I352 HydrophobicContact CD2-CG1 4.39Å; F344-I352 HydrophobicContact CE1-CB 3.8Å; F344-I352 HydrophobicContact CE1-CD1 3.28Å; F344-I352 HydrophobicContact CE1-CG1 3.43Å; F344-I352 VanDerWaalsContact CE1-CG1 3.43Å; F344-I352 HydrophobicContact CE2-CD1 3.93Å; F344-I352 HydrophobicContact CE2-CG1 4.06Å; F344-I352 HydrophobicContact CG-CG1 4.24Å; F344-I352 HydrophobicContact CZ-CB 4.4Å; F344-I352 HydrophobicContact CZ-CD1 3.1Å; F344-I352 HydrophobicContact CZ-CG1 3.54Å; F344-I416 HydrophobicContact CD1-CG2 4.38Å; F344-I416 HydrophobicContact CE1-CB 3.76Å; F344-I416 HydrophobicContact CE1-CG2 3.45Å; F344-I416 VanDerWaalsContact CE1-CG2 3.45Å; F344-I416 HydrophobicContact CE2-CB 4.34Å; F344-I416 HydrophobicContact CE2-CD1 4.24Å; F344-I416 HydrophobicContact CE2-CG2 3.65Å; F344-I416 HydrophobicContact CZ-CB 3.37Å; F344-I416 HydrophobicContact CZ-CD1 3.77Å; F344-I416 HydrophobicContact CZ-CG1 4.16Å; F344-I416 HydrophobicContact CZ-CG2 3.04Å; F344-L417 HydrophobicContact CD1-CD2 4.11Å; F344-L417 HydrophobicContact CE1-CD2 4.12Å; F344-L417 HydrophobicContact CE1-CG 4.26Å
345T80.7Confident85.2Confident21 Ų2138.4 Ų38.413%0.12920%0.195CC..EExtended strand (participates in β ladder)trans-125.8120.6173.3-57.70000108.8Q347 N350 S351T345-Q347 HydrophobicContact CG2-CB 4.21Å; T345-Q347 HydrophobicContact CG2-CG 3.65Å; T345-N350 WeakPolarHBondContact O-CA 3.47Å; T345-S351 PolarHBondContact N-O 3.42Å; T345-S351 PolarHBondContact O-N 3.24Å; T345-S351 VanDerWaalsContact O-N 3.11Å
346H74.4Confident85Confident35 Ų3539.3 Ų39.316%0.16220%0.201CC..EExtended strand (participates in β ladder)trans-10232.9-175.9-67.3-57.5000114.1E11 V332 N350E11-H346 IonicContact OE1-CD2 2.87Å; E11-H346 PolarHBondContact OE1-CD2 2.95Å; V332-H346 PolarHBondContact O-NE2 2.82Å; H346-N350 PolarHBondContact ND1-OD1 3.45Å
347Q66.6Low84.5Confident116 Ų11639.5 Ų39.554%0.54222%0.223SC..SBendtrans-70-139.3178.6-67.6179.26.300111.5T345 M349 R424T345-Q347 HydrophobicContact CG2-CB 4.21Å; T345-Q347 HydrophobicContact CG2-CG 3.65Å; Q347-M349 PolarHBondContact O-N 3.31Å; Q347-R424 PolarHBondContact O-NH1 2.62Å
348N58.3Low84.2Confident125 Ų12541.8 Ų41.867%0.66824%0.238SC*.SBendtrans-59.8-31.8179.5-68.3-2.6000112
349M65.9Low83.9Confident74 Ų7437.9 Ų37.937%0.36524%0.237SC..SBendtrans-134.8136.1178.9-60170.571.100108.5Q347 S351 A367 Y368Q347-M349 PolarHBondContact O-N 3.31Å; M349-S351 PolarHBondContact O-N 3.16Å; M349-A367 HydrophobicContact CE-CB 3.41Å; M349-A367 VanDerWaalsContact CE-CB 3.41Å; M349-Y368 HydrophobicContact CE-CE1 4.31Å; M349-Y368 HydrophobicContact CG-CE1 4.42Å
350N76.6Confident84Confident11 Ų1136.4 Ų36.46%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-68.4121.2174-72.6-15.2000108.7T345 H346 L417 R424T345-N350 WeakPolarHBondContact O-CA 3.47Å; H346-N350 PolarHBondContact ND1-OD1 3.45Å; N350-L417 HydrophobicContact CB-CD2 4.28Å; N350-R424 PolarHBondContact OD1-NH1 2.88Å
351S84.6Confident83.9Confident40 Ų4035.7 Ų35.728%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-126.8158.4172.164.30000110.5F344 T345 M349 S364F344-S351 WeakPolarHBondContact CA-O 3.39Å; T345-S351 PolarHBondContact N-O 3.42Å; T345-S351 PolarHBondContact O-N 3.24Å; T345-S351 VanDerWaalsContact O-N 3.11Å; M349-S351 PolarHBondContact O-N 3.16Å; S351-S364 WeakPolarHBondContact CA-OG 3.34Å
352I89.9Confident83.8Confident1 Ų134.2 Ų34.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-133.9137.7177.5-168.6-167.2000110Y342 R343 F344 S364 F373 A413 L417Y342-I352 HydrophobicContact CD1-CD1 3.83Å; Y342-I352 HydrophobicContact CG-CD1 4.44Å; R343-I352 CarbonylContact O-C 3.56Å; R343-I352 VanDerWaalsContact O-CA 3.3Å; R343-I352 WeakPolarHBondContact O-CA 3.26Å; R343-I352 WeakPolarHBondContact O-CG1 3.34Å; F344-I352 HydrophobicContact CD1-CB 3.92Å; F344-I352 HydrophobicContact CD1-CD1 4.16Å; F344-I352 HydrophobicContact CD1-CG1 3.79Å; F344-I352 HydrophobicContact CD2-CG1 4.39Å; F344-I352 HydrophobicContact CE1-CB 3.8Å; F344-I352 HydrophobicContact CE1-CD1 3.28Å; F344-I352 HydrophobicContact CE1-CG1 3.43Å; F344-I352 VanDerWaalsContact CE1-CG1 3.43Å; F344-I352 HydrophobicContact CE2-CD1 3.93Å; F344-I352 HydrophobicContact CE2-CG1 4.06Å; F344-I352 HydrophobicContact CG-CG1 4.24Å; F344-I352 HydrophobicContact CZ-CB 4.4Å; F344-I352 HydrophobicContact CZ-CD1 3.1Å; F344-I352 HydrophobicContact CZ-CG1 3.54Å; I352-S364 PolarHBondContact N-OG 3.37Å; I352-S364 PolarHBondContact O-N 3.43Å; I352-S364 PolarHBondContact O-OG 3.4Å; I352-F373 HydrophobicContact CG2-CE1 3.73Å; I352-F373 HydrophobicContact CG2-CZ 3.98Å; I352-A413 HydrophobicContact CD1-CB 3.45Å; I352-A413 VanDerWaalsContact CD1-CB 3.45Å; I352-A413 HydrophobicContact CG2-CB 4.19Å; I352-L417 HydrophobicContact CB-CD1 4.44Å; I352-L417 HydrophobicContact CB-CD2 4.07Å; I352-L417 HydrophobicContact CB-CG 4.25Å; I352-L417 HydrophobicContact CG2-CD1 3.63Å; I352-L417 HydrophobicContact CG2-CD2 4.16Å; I352-L417 HydrophobicContact CG2-CG 3.91Å
353E92.4Very high83.7Confident11 Ų1136 Ų365%0.05122%0.216CC..EExtended strand (participates in β ladder)trans-112.3132.7170.5-59.9-177.8142.700109S243 Y342 R343 Y355 V361 F362 K363S243-E353 WeakPolarHBondContact CB-OE2 3.35Å; S243-E353 PolarHBondContact OG-OE1 3.26Å; S243-E353 VanDerWaalsContact OG-OE1 3.09Å; S243-E353 PolarHBondContact OG-OE2 3.27Å; Y342-E353 CarbonylContact C-O 3.46Å; Y342-E353 WeakPolarHBondContact CA-O 3.41Å; R343-E353 PolarHBondContact N-O 3.44Å; R343-E353 IonicContact NH1-OE2 3.51Å; R343-E353 PolarHBondContact O-N 3.43Å; E353-Y355 HydrophobicContact CB-CD2 4.39Å; E353-Y355 HydrophobicContact CB-CE2 3.54Å; E353-Y355 PolarHBondContact OE2-OH 2.79Å; E353-V361 HydrophobicContact CB-CG2 4.26Å; E353-F362 CarbonylContact C-O 3.6Å; E353-F362 VanDerWaalsContact CA-O 3.27Å; E353-F362 WeakPolarHBondContact CA-O 3.41Å; E353-K363 HydrophobicContact CG-CG 4.27Å; E353-K363 VanDerWaalsContact OE1-CE 3.23Å; E353-K363 WeakPolarHBondContact OE1-CE 3.22Å; E353-K363 IonicContact OE1-NZ 3.75Å; E353-K363 PolarHBondContact OE1-NZ 2.97Å
354I94Very high83.6Confident0 Ų035.9 Ų35.90%022%0.218CC..EExtended strand (participates in β ladder)trans-112125.6179.1-41.5173.5000108.6V340 T341 Y342 V361 F362 F373 L409 A413V340-I354 HydrophobicContact CG1-CG2 3.59Å; T341-I354 CarbonylContact O-C 3.58Å; T341-I354 WeakPolarHBondContact O-CA 3.38Å; Y342-I354 HydrophobicContact CD1-CB 4.33Å; Y342-I354 HydrophobicContact CD1-CD1 4.42Å; Y342-I354 HydrophobicContact CD1-CG1 3.92Å; Y342-I354 HydrophobicContact CD1-CG2 3.84Å; Y342-I354 HydrophobicContact CE1-CB 4.4Å; Y342-I354 HydrophobicContact CE1-CD1 4.13Å; Y342-I354 HydrophobicContact CE1-CG1 4.07Å; Y342-I354 HydrophobicContact CE1-CG2 3.58Å; I354-V361 CarbonylContact O-C 3.54Å; I354-V361 VanDerWaalsContact O-CA 3.31Å; I354-V361 WeakPolarHBondContact O-CA 3.25Å; I354-V361 WeakPolarHBondContact O-CG2 3.21Å; I354-F362 HydrophobicContact CB-CB 3.95Å; I354-F362 HydrophobicContact CB-CD2 4.24Å; I354-F362 HydrophobicContact CB-CG 4.48Å; I354-F362 HydrophobicContact CD1-CB 3.97Å; I354-F362 HydrophobicContact CD1-CG 4.42Å; I354-F362 HydrophobicContact CG1-CB 4.06Å; I354-F362 PolarHBondContact N-O 3.24Å; I354-F362 PolarHBondContact O-N 3.31Å; I354-F373 HydrophobicContact CD1-CD1 4.21Å; I354-F373 HydrophobicContact CD1-CE1 3.98Å; I354-F373 HydrophobicContact CG1-CE1 4.49Å; I354-L409 HydrophobicContact CD1-CB 4.32Å; I354-L409 HydrophobicContact CG2-CB 4.46Å; I354-L409 HydrophobicContact CG2-CD1 4.4Å; I354-A413 HydrophobicContact CD1-CB 3.55Å; I354-A413 HydrophobicContact CG1-CB 4.1Å
355Y92.1Very high83.1Confident20 Ų2039 Ų398%0.07823%0.233CC..EExtended strand (participates in β ladder)trans-117.1101.9179.4-62.6-88.3000109.3E142 V340 T341 R343 E353 G357 V361E142-Y355 HydrophobicContact CB-CE1 4.38Å; E142-Y355 HydrophobicContact CG-CE1 4.1Å; V340-Y355 WeakPolarHBondContact CA-O 3.48Å; T341-Y355 PolarHBondContact N-O 2.85Å; T341-Y355 PolarHBondContact O-N 3.25Å; R343-Y355 HydrophobicContact CB-CE2 4.25Å; R343-Y355 PolarHBondContact NH1-OH 3.02Å; E353-Y355 HydrophobicContact CB-CD2 4.39Å; E353-Y355 HydrophobicContact CB-CE2 3.54Å; E353-Y355 PolarHBondContact OE2-OH 2.79Å; Y355-G357 PolarHBondContact O-N 3.11Å; Y355-V361 HydrophobicContact CD1-CB 4.11Å; Y355-V361 HydrophobicContact CD1-CG2 3.93Å; Y355-V361 HydrophobicContact CE1-CB 3.91Å; Y355-V361 HydrophobicContact CE1-CG2 3.53Å; Y355-V361 HydrophobicContact CE2-CG2 4.24Å; Y355-V361 HydrophobicContact CG-CG2 4.45Å
356P90.4Very high82.3Confident19 Ų1940.7 Ų40.712%0.12325%0.254CS..  trans-70.3-18.9-179.7-19.733.8000114.2S360 F362 F404 L409P356-S360 WeakPolarHBondContact CD-O 3.32Å; P356-F362 HydrophobicContact CG-CD2 4.23Å; P356-F362 HydrophobicContact CG-CE2 3.93Å; P356-F404 HydrophobicContact CB-CD1 3.56Å; P356-F404 HydrophobicContact CB-CE1 3.51Å; P356-F404 HydrophobicContact CB-CG 4.23Å; P356-F404 HydrophobicContact CB-CZ 4.14Å; P356-F404 HydrophobicContact CG-CD1 4.18Å; P356-F404 HydrophobicContact CG-CE1 3.8Å; P356-F404 HydrophobicContact CG-CE2 4.36Å; P356-F404 HydrophobicContact CG-CZ 3.9Å; P356-L409 HydrophobicContact CG-CD1 4.08Å
357G85.3Confident81.4Confident70 Ų7040.2 Ų40.272%0.72226%0.256SS*.SBendtrans104.2-2.7179.100000115Y355Y355-G357 PolarHBondContact O-N 3.11Å
358D84.1Confident80.9Confident85 Ų8535.7 Ų35.746%0.45523%0.234SC..SBendtrans-93.26.7176.465.8-17.7000113.4S360 F404D358-S360 VanDerWaalsContact C-N 3.28Å; D358-S360 VanDerWaalsContact CG-OG 3.29Å; D358-S360 VanDerWaalsContact OD1-CB 3.26Å; D358-S360 WeakPolarHBondContact OD1-CB 3.4Å; D358-S360 PolarHBondContact OD1-N 2.7Å; D358-S360 PolarHBondContact OD1-OG 3.31Å; D358-S360 PolarHBondContact OD2-OG 2.86Å; D358-F404 WeakPolarHBondContact OD2-CE1 3.36Å
359G80.4Confident81.2Confident55 Ų5530.7 Ų30.757%0.56721%0.206SC*.SBendtrans85.1-5.6-175.200000114.5
360S88.5Confident81.1Confident4 Ų427.2 Ų27.23%0.02819%0.19CC..  trans-77.5160.5169.176.60000111.6P356 D358 Y375 Y376P356-S360 WeakPolarHBondContact CD-O 3.32Å; D358-S360 VanDerWaalsContact C-N 3.28Å; D358-S360 VanDerWaalsContact CG-OG 3.29Å; D358-S360 VanDerWaalsContact OD1-CB 3.26Å; D358-S360 WeakPolarHBondContact OD1-CB 3.4Å; D358-S360 PolarHBondContact OD1-N 2.7Å; D358-S360 PolarHBondContact OD1-OG 3.31Å; D358-S360 PolarHBondContact OD2-OG 2.86Å; S360-Y375 VanDerWaalsContact CB-CE2 3.41Å; S360-Y375 WeakPolarHBondContact CB-OH 3.49Å; S360-Y375 WeakPolarHBondContact OG-CE2 3.47Å; S360-Y376 CarbonylContact C-O 3.58Å; S360-Y376 VanDerWaalsContact CA-O 3.25Å; S360-Y376 WeakPolarHBondContact CA-O 3.08Å; S360-Y376 WeakPolarHBondContact CB-O 3.39Å
361V91.4Very high81.2Confident1 Ų131.3 Ų31.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-142.2138.8174.264.20000111.1H141 E353 I354 Y355 K363 Y375 Y376H141-V361 HydrophobicContact CB-CG1 3.95Å; H141-V361 WeakPolarHBondContact CD2-CG1 3.35Å; H141-V361 WeakPolarHBondContact NE2-CG1 3.22Å; E353-V361 HydrophobicContact CB-CG2 4.26Å; I354-V361 CarbonylContact O-C 3.54Å; I354-V361 VanDerWaalsContact O-CA 3.31Å; I354-V361 WeakPolarHBondContact O-CA 3.25Å; I354-V361 WeakPolarHBondContact O-CG2 3.21Å; Y355-V361 HydrophobicContact CD1-CB 4.11Å; Y355-V361 HydrophobicContact CD1-CG2 3.93Å; Y355-V361 HydrophobicContact CE1-CB 3.91Å; Y355-V361 HydrophobicContact CE1-CG2 3.53Å; Y355-V361 HydrophobicContact CE2-CG2 4.24Å; Y355-V361 HydrophobicContact CG-CG2 4.45Å; V361-K363 HydrophobicContact CG2-CG 4.22Å; V361-Y375 WeakPolarHBondContact O-CA 3.45Å; V361-Y376 HydrophobicContact CG1-CD2 4.03Å; V361-Y376 HydrophobicContact CG1-CG 4.38Å; V361-Y376 PolarHBondContact N-O 3.02Å; V361-Y376 PolarHBondContact O-N 2.63Å
362F91.9Very high81.3Confident0 Ų035 Ų350%022%0.215CC..EExtended strand (participates in β ladder)trans-99.7132.2164.6-61.3-102000109E353 I354 P356 F373 T374 Y375 Y390 F404 V406 L409 I410E353-F362 CarbonylContact C-O 3.6Å; E353-F362 VanDerWaalsContact CA-O 3.27Å; E353-F362 WeakPolarHBondContact CA-O 3.41Å; I354-F362 HydrophobicContact CB-CB 3.95Å; I354-F362 HydrophobicContact CB-CD2 4.24Å; I354-F362 HydrophobicContact CB-CG 4.48Å; I354-F362 HydrophobicContact CD1-CB 3.97Å; I354-F362 HydrophobicContact CD1-CG 4.42Å; I354-F362 HydrophobicContact CG1-CB 4.06Å; I354-F362 PolarHBondContact N-O 3.24Å; I354-F362 PolarHBondContact O-N 3.31Å; P356-F362 HydrophobicContact CG-CD2 4.23Å; P356-F362 HydrophobicContact CG-CE2 3.93Å; F362-F373 HydrophobicContact CB-CD1 4.23Å; F362-T374 CarbonylContact C-O 3.46Å; F362-T374 WeakPolarHBondContact CA-O 3.27Å; F362-Y375 AromaticContact CD1-CD2 3.9Å; F362-Y375 HydrophobicContact CD1-CD2 3.9Å; F362-Y375 HydrophobicContact CD1-CG 4.35Å; F362-Y375 AromaticContact CD2-CD2 3.91Å; F362-Y375 HydrophobicContact CD2-CD2 3.91Å; F362-Y375 HydrophobicContact CD2-CE2 4.45Å; F362-Y375 AromaticContact CE1-CD2 3.44Å; F362-Y375 HydrophobicContact CE1-CD2 3.44Å; F362-Y375 VanDerWaalsContact CE1-CD2 3.44Å; F362-Y375 HydrophobicContact CE1-CE2 4.33Å; F362-Y375 AromaticContact CE1-CG 3.9Å; F362-Y375 HydrophobicContact CE1-CG 3.9Å; F362-Y375 AromaticContact CE2-CD2 3.43Å; F362-Y375 HydrophobicContact CE2-CD2 3.43Å; F362-Y375 VanDerWaalsContact CE2-CD2 3.43Å; F362-Y375 AromaticContact CE2-CE2 3.71Å; F362-Y375 HydrophobicContact CE2-CE2 3.71Å; F362-Y375 HydrophobicContact CG-CD2 4.11Å; F362-Y375 AromaticContact CZ-CD2 3.17Å; F362-Y375 HydrophobicContact CZ-CD2 3.17Å; F362-Y375 AromaticContact CZ-CE2 3.63Å; F362-Y375 HydrophobicContact CZ-CE2 3.63Å; F362-Y375 HydrophobicContact CZ-CG 4.02Å; F362-Y390 HydrophobicContact CD1-CD2 4.36Å; F362-Y390 AromaticContact CE1-CD2 3.94Å; F362-Y390 HydrophobicContact CE1-CD2 3.94Å; F362-Y390 AromaticContact CE1-CE2 3.84Å; F362-Y390 HydrophobicContact CE1-CE2 3.84Å; F362-F404 AromaticContact CE2-CE2 3.77Å; F362-F404 HydrophobicContact CE2-CE2 3.77Å; F362-F404 HydrophobicContact CE2-CZ 4.13Å; F362-F404 AromaticContact CZ-CE2 3.77Å; F362-F404 HydrophobicContact CZ-CE2 3.77Å; F362-F404 HydrophobicContact CZ-CZ 4.38Å; F362-V406 HydrophobicContact CE1-CG1 3.84Å; F362-V406 HydrophobicContact CE1-CG2 4.43Å; F362-V406 HydrophobicContact CZ-CG1 4.25Å; F362-V406 HydrophobicContact CZ-CG2 4.09Å; F362-L409 HydrophobicContact CE2-CD1 4.15Å; F362-I410 HydrophobicContact CD1-CD1 4.4Å
363K90.4Very high81.3Confident39 Ų3934.9 Ų34.917%0.1722%0.215CC..EExtended strand (participates in β ladder)trans-115.9128.6173.2-59.3-160.4176.4-147.60109.7H141 E353 V361 E365 F373 T374 Y376H141-K363 WeakPolarHBondContact ND1-CE 3.29Å; H141-K363 PolarHBondContact ND1-NZ 2.95Å; E353-K363 HydrophobicContact CG-CG 4.27Å; E353-K363 VanDerWaalsContact OE1-CE 3.23Å; E353-K363 WeakPolarHBondContact OE1-CE 3.22Å; E353-K363 IonicContact OE1-NZ 3.75Å; E353-K363 PolarHBondContact OE1-NZ 2.97Å; V361-K363 HydrophobicContact CG2-CG 4.22Å; K363-E365 PolarHBondContact O-N 2.95Å; K363-F373 CarbonylContact O-C 3.6Å; K363-F373 VanDerWaalsContact O-CA 3.3Å; K363-F373 WeakPolarHBondContact O-CA 3.3Å; K363-T374 PolarHBondContact N-O 2.99Å; K363-T374 PolarHBondContact O-N 3.37Å; K363-Y376 HydrophobicContact CB-CE2 4.15Å; K363-Y376 HydrophobicContact CD-CD2 4.38Å; K363-Y376 HydrophobicContact CD-CE2 3.94Å; K363-Y376 HydrophobicContact CG-CD2 4.1Å; K363-Y376 HydrophobicContact CG-CE2 3.89Å
364S89.3Confident81.2Confident19 Ų1934.4 Ų34.413%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-67.5130.7171.663.10000110.4S351 I352S351-S364 WeakPolarHBondContact CA-OG 3.34Å; I352-S364 PolarHBondContact N-OG 3.37Å; I352-S364 PolarHBondContact O-N 3.43Å; I352-S364 PolarHBondContact O-OG 3.4Å
365E77.8Confident81.1Confident74 Ų7435.8 Ų35.835%0.34622%0.218SC..EExtended strand (participates in β ladder)trans-114.4152.1175.4-71.8-170.1-174.100112.2K363 G370 K371 Y372 T374K363-E365 PolarHBondContact O-N 2.95Å; E365-G370 WeakPolarHBondContact O-CA 3.35Å; E365-K371 PolarHBondContact O-N 2.95Å; E365-Y372 PolarHBondContact N-O 3Å; E365-T374 WeakPolarHBondContact OE1-CB 3.44Å; E365-T374 PolarHBondContact OE1-OG1 3.27Å; E365-T374 PolarHBondContact OE2-OG1 2.9Å
366G63.8Low80.9Confident55 Ų5536.1 Ų36.157%0.56722%0.219SC*.SBendtrans88.8167.3174.200000113.8Y368G366-Y368 PolarHBondContact O-N 3.18Å
367A56Low80.7Confident25 Ų2536 Ų3621%0.20722%0.219CC..THydrogen-bonded Turntrans-75.5117.1-172.100000111.3M349 F369M349-A367 HydrophobicContact CE-CB 3.41Å; M349-A367 VanDerWaalsContact CE-CB 3.41Å; A367-F369 PolarHBondContact O-N 3.46Å
368Y56.9Low80.3Confident22 Ų2236.2 Ų36.29%0.08620%0.203CC..THydrogen-bonded Turntrans86.1-10.8156.2-40.7-64.6000119.4M349 G366 N501 L502 W504M349-Y368 HydrophobicContact CE-CE1 4.31Å; M349-Y368 HydrophobicContact CG-CE1 4.42Å; G366-Y368 PolarHBondContact O-N 3.18Å; Y368-N501 WeakPolarHBondContact CE1-O 3.07Å; Y368-N501 PolarHBondContact OH-O 2.85Å; Y368-L502 WeakPolarHBondContact CD1-O 3.3Å; Y368-L502 VanDerWaalsContact CE1-C 3.4Å; Y368-W504 VanDerWaalsContact CB-NE1 3.32Å
369F63.2Low79.5Confident20 Ų2037.7 Ų37.79%0.08821%0.207CC..THydrogen-bonded Turntrans-148.58.8172.8-88.7-50.8000117.4A367 K371 L417 Q418 V421 W504 L516A367-F369 PolarHBondContact O-N 3.46Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 3.38Å; F369-L417 HydrophobicContact CD1-CB 4.44Å; F369-Q418 HydrophobicContact CD1-CG 3.97Å; F369-Q418 HydrophobicContact CE1-CB 4.18Å; F369-Q418 HydrophobicContact CE1-CG 3.5Å; F369-Q418 HydrophobicContact CZ-CG 4.08Å; F369-V421 HydrophobicContact CE1-CB 4.38Å; F369-V421 HydrophobicContact CE1-CG2 4.02Å; F369-V421 HydrophobicContact CZ-CB 4.35Å; F369-V421 HydrophobicContact CZ-CG1 4.35Å; F369-V421 HydrophobicContact CZ-CG2 4.28Å; F369-W504 HydrophobicContact CD2-CD2 4.05Å; F369-W504 AromaticContact CD2-CE2 3.31Å; F369-W504 AromaticContact CD2-CH2 3.89Å; F369-W504 HydrophobicContact CD2-CH2 3.89Å; F369-W504 AromaticContact CD2-CZ2 3.26Å; F369-W504 HydrophobicContact CD2-CZ2 3.26Å; F369-W504 HydrophobicContact CD2-CZ3 4.49Å; F369-W504 AromaticContact CD2-NE1 3.49Å; F369-W504 AromaticContact CE2-CD2 3.36Å; F369-W504 HydrophobicContact CE2-CD2 3.36Å; F369-W504 AromaticContact CE2-CE2 3.13Å; F369-W504 AromaticContact CE2-CE3 3.67Å; F369-W504 HydrophobicContact CE2-CE3 3.67Å; F369-W504 AromaticContact CE2-CG 3.97Å; F369-W504 HydrophobicContact CE2-CG 3.97Å; F369-W504 AromaticContact CE2-CH2 3.65Å; F369-W504 HydrophobicContact CE2-CH2 3.65Å; F369-W504 AromaticContact CE2-CZ2 3.33Å; F369-W504 HydrophobicContact CE2-CZ2 3.33Å; F369-W504 AromaticContact CE2-CZ3 3.8Å; F369-W504 HydrophobicContact CE2-CZ3 3.8Å; F369-W504 AromaticContact CE2-NE1 3.53Å; F369-W504 HydrophobicContact CZ-CD2 4.25Å; F369-W504 HydrophobicContact CZ-CE3 4.47Å; F369-L516 HydrophobicContact CZ-CD1 4.16Å
370G64.1Low78.5Confident1 Ų144.8 Ų44.81%0.0123%0.225CC..  trans57.348.6-172.600000110.6E365 Y372 F373 V392E365-G370 WeakPolarHBondContact O-CA 3.35Å; G370-Y372 CarbonylContact C-O 3.59Å; G370-Y372 PolarHBondContact O-N 3.17Å; G370-F373 WeakPolarHBondContact O-CD2 3.4Å; G370-F373 WeakPolarHBondContact O-CE2 3.4Å; G370-V392 WeakPolarHBondContact O-CG2 3.41Å
371K78.8Confident76.9Confident97 Ų9749 Ų4942%0.42227%0.27SS..SBendtrans-51.9-28.8177.8-72.1-173.5178-178.80111.1E365 F369 V392E365-K371 PolarHBondContact O-N 2.95Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 3.38Å; K371-V392 PolarHBondContact O-N 2.74Å
372Y86.9Confident75.3Confident116 Ų11651 Ų5146%0.45528%0.283SS..EExtended strand (participates in β ladder)trans-123.5150.8172.9-53.2-80.7000110.1E365 G370 T389 Y390E365-Y372 PolarHBondContact N-O 3Å; G370-Y372 CarbonylContact C-O 3.59Å; G370-Y372 PolarHBondContact O-N 3.17Å; Y372-T389 HydrophobicContact CD1-CG2 4.31Å; Y372-T389 HydrophobicContact CG-CG2 4.38Å; Y372-Y390 CarbonylContact C-O 3.55Å; Y372-Y390 WeakPolarHBondContact CA-O 3.46Å
373F90.8Very high73.8Confident0 Ų057.4 Ų57.40%031%0.313CS..EExtended strand (participates in β ladder)trans-126.2122.2171.3-79.2-100.2000108.4I352 I354 F362 K363 G370 T389 Y390 V392 I410 A413I352-F373 HydrophobicContact CG2-CE1 3.73Å; I352-F373 HydrophobicContact CG2-CZ 3.98Å; I354-F373 HydrophobicContact CD1-CD1 4.21Å; I354-F373 HydrophobicContact CD1-CE1 3.98Å; I354-F373 HydrophobicContact CG1-CE1 4.49Å; F362-F373 HydrophobicContact CB-CD1 4.23Å; K363-F373 CarbonylContact O-C 3.6Å; K363-F373 VanDerWaalsContact O-CA 3.3Å; K363-F373 WeakPolarHBondContact O-CA 3.3Å; G370-F373 WeakPolarHBondContact O-CD2 3.4Å; G370-F373 WeakPolarHBondContact O-CE2 3.4Å; F373-T389 CarbonylContact O-C 3.53Å; F373-T389 WeakPolarHBondContact O-CA 3.24Å; F373-Y390 PolarHBondContact N-O 3.06Å; F373-Y390 PolarHBondContact O-N 2.81Å; F373-V392 HydrophobicContact CD2-CG2 3.91Å; F373-V392 HydrophobicContact CE2-CG2 3.78Å; F373-I410 HydrophobicContact CB-CD1 3.84Å; F373-I410 HydrophobicContact CB-CG1 4.17Å; F373-I410 HydrophobicContact CD1-CG1 4.34Å; F373-I410 HydrophobicContact CD2-CB 4.43Å; F373-I410 HydrophobicContact CD2-CD1 4.36Å; F373-I410 HydrophobicContact CD2-CG1 4.16Å; F373-I410 HydrophobicContact CD2-CG2 3.54Å; F373-I410 HydrophobicContact CE2-CG2 3.6Å; F373-I410 HydrophobicContact CG-CD1 4.15Å; F373-I410 HydrophobicContact CG-CG1 3.97Å; F373-I410 HydrophobicContact CG-CG2 4.23Å; F373-I410 HydrophobicContact CZ-CG2 4.33Å; F373-A413 HydrophobicContact CE1-CB 3.96Å; F373-A413 HydrophobicContact CZ-CB 3.86Å
374T90.1Very high72.5Confident0 Ų062.4 Ų62.40%034%0.337CS..EExtended strand (participates in β ladder)trans-94.7120.1174.3-61.30000109.5F362 K363 E365 Y376 E387 K388 T389F362-T374 CarbonylContact C-O 3.46Å; F362-T374 WeakPolarHBondContact CA-O 3.27Å; K363-T374 PolarHBondContact N-O 2.99Å; K363-T374 PolarHBondContact O-N 3.37Å; E365-T374 WeakPolarHBondContact OE1-CB 3.44Å; E365-T374 PolarHBondContact OE1-OG1 3.27Å; E365-T374 PolarHBondContact OE2-OG1 2.9Å; T374-Y376 HydrophobicContact CG2-CD2 4.33Å; T374-Y376 HydrophobicContact CG2-CE1 3.88Å; T374-Y376 HydrophobicContact CG2-CE2 3.67Å; T374-Y376 WeakPolarHBondContact CG2-OH 3.48Å; T374-E387 HydrophobicContact CG2-CG 3.43Å; T374-E387 VanDerWaalsContact CG2-CG 3.43Å; T374-E387 WeakPolarHBondContact CG2-OE1 3.37Å; T374-K388 WeakPolarHBondContact CA-O 3.41Å; T374-T389 PolarHBondContact OG1-OG1 2.82Å
375Y90.8Very high71.7Confident29 Ų2967.7 Ų67.711%0.11435%0.354CS..EExtended strand (participates in β ladder)trans-90.2127.7176.4173.4-105.4000109.5S360 V361 F362 S377 E387 K388 Y390 F404S360-Y375 VanDerWaalsContact CB-CE2 3.41Å; S360-Y375 WeakPolarHBondContact CB-OH 3.49Å; S360-Y375 WeakPolarHBondContact OG-CE2 3.47Å; V361-Y375 WeakPolarHBondContact O-CA 3.45Å; F362-Y375 AromaticContact CD1-CD2 3.9Å; F362-Y375 HydrophobicContact CD1-CD2 3.9Å; F362-Y375 HydrophobicContact CD1-CG 4.35Å; F362-Y375 AromaticContact CD2-CD2 3.91Å; F362-Y375 HydrophobicContact CD2-CD2 3.91Å; F362-Y375 HydrophobicContact CD2-CE2 4.45Å; F362-Y375 AromaticContact CE1-CD2 3.44Å; F362-Y375 HydrophobicContact CE1-CD2 3.44Å; F362-Y375 VanDerWaalsContact CE1-CD2 3.44Å; F362-Y375 HydrophobicContact CE1-CE2 4.33Å; F362-Y375 AromaticContact CE1-CG 3.9Å; F362-Y375 HydrophobicContact CE1-CG 3.9Å; F362-Y375 AromaticContact CE2-CD2 3.43Å; F362-Y375 HydrophobicContact CE2-CD2 3.43Å; F362-Y375 VanDerWaalsContact CE2-CD2 3.43Å; F362-Y375 AromaticContact CE2-CE2 3.71Å; F362-Y375 HydrophobicContact CE2-CE2 3.71Å; F362-Y375 HydrophobicContact CG-CD2 4.11Å; F362-Y375 AromaticContact CZ-CD2 3.17Å; F362-Y375 HydrophobicContact CZ-CD2 3.17Å; F362-Y375 AromaticContact CZ-CE2 3.63Å; F362-Y375 HydrophobicContact CZ-CE2 3.63Å; F362-Y375 HydrophobicContact CZ-CG 4.02Å; Y375-S377 WeakPolarHBondContact CE1-OG 3.31Å; Y375-S377 WeakPolarHBondContact OH-CB 3.37Å; Y375-E387 WeakPolarHBondContact O-CA 3.38Å; Y375-K388 WeakPolarHBondContact CB-O 3.29Å; Y375-K388 HydrophobicContact CD1-CB 4.34Å; Y375-K388 HydrophobicContact CD1-CD 4.45Å; Y375-K388 PolarHBondContact N-O 3.42Å; Y375-K388 PolarHBondContact O-N 3.45Å; Y375-Y390 HydrophobicContact CG-CE2 4.24Å; Y375-F404 HydrophobicContact CE2-CZ 4.31Å
376Y88.3Confident71.9Confident28 Ų2867.9 Ų67.911%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-117.1123.5175.3-60.1-81.5000109H141 S360 V361 K363 T374 E387H141-Y376 AromaticContact CE1-CD2 3.56Å; H141-Y376 AromaticContact CE1-CG 3.53Å; H141-Y376 WeakPolarHBondContact NE2-CB 3.5Å; H141-Y376 AromaticContact NE2-CD1 3.89Å; H141-Y376 AromaticContact NE2-CD2 3.71Å; H141-Y376 AromaticContact NE2-CG 3.3Å; H141-Y376 VanDerWaalsContact NE2-CG 3.3Å; S360-Y376 CarbonylContact C-O 3.58Å; S360-Y376 VanDerWaalsContact CA-O 3.25Å; S360-Y376 WeakPolarHBondContact CA-O 3.08Å; S360-Y376 WeakPolarHBondContact CB-O 3.39Å; V361-Y376 HydrophobicContact CG1-CD2 4.03Å; V361-Y376 HydrophobicContact CG1-CG 4.38Å; V361-Y376 PolarHBondContact N-O 3.02Å; V361-Y376 PolarHBondContact O-N 2.63Å; K363-Y376 HydrophobicContact CB-CE2 4.15Å; K363-Y376 HydrophobicContact CD-CD2 4.38Å; K363-Y376 HydrophobicContact CD-CE2 3.94Å; K363-Y376 HydrophobicContact CG-CD2 4.1Å; K363-Y376 HydrophobicContact CG-CE2 3.89Å; T374-Y376 HydrophobicContact CG2-CD2 4.33Å; T374-Y376 HydrophobicContact CG2-CE1 3.88Å; T374-Y376 HydrophobicContact CG2-CE2 3.67Å; T374-Y376 WeakPolarHBondContact CG2-OH 3.48Å; Y376-E387 HydrophobicContact CD1-CG 4.2Å; Y376-E387 HydrophobicContact CE1-CB 4.49Å; Y376-E387 VanDerWaalsContact CE1-CD 3.5Å; Y376-E387 HydrophobicContact CE1-CG 3.79Å; Y376-E387 VanDerWaalsContact CE1-OE1 3.27Å; Y376-E387 WeakPolarHBondContact CE1-OE1 3.38Å; Y376-E387 PolarHBondContact OH-OE1 3.23Å; Y376-E387 VanDerWaalsContact OH-OE1 3.07Å
377S85.9Confident73.1Confident17 Ų1770.6 Ų70.612%0.11935%0.353CS..EExtended strand (participates in β ladder)trans-133.9151.7168.955.70000111.3Y375 E386Y375-S377 WeakPolarHBondContact CE1-OG 3.31Å; Y375-S377 WeakPolarHBondContact OH-CB 3.37Å; S377-E386 PolarHBondContact N-O 3Å; S377-E386 VanDerWaalsContact N-O 3.1Å; S377-E386 PolarHBondContact O-N 2.74Å
378I77.3Confident74.6Confident73 Ų7372.8 Ų72.837%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-102.4123169.5-62.7169.8000106.4R138R138-I378 HydrophobicContact CB-CD1 3.7Å
379Q66.7Low76.3Confident117 Ų11775.8 Ų75.855%0.54738%0.379SS..  trans-73.3130.9179-17017018.700109.9G381 S382Q379-G381 PolarHBondContact O-N 2.69Å; Q379-S382 PolarHBondContact O-N 3.18Å; Q379-S382 VanDerWaalsContact O-O 3.07Å
380E59Low77.5Confident204 Ų20476.9 Ų76.995%0.95338%0.382SS*.THydrogen-bonded Turntrans-61.9112.3176.9-99.8179.7158.900110
381G56Low78.7Confident93 Ų9378.1 Ų78.196%0.95939%0.391SS*.THydrogen-bonded Turntrans107.1-12.5176.500000115.9Q379Q379-G381 PolarHBondContact O-N 2.69Å
382S58.3Low79.1Confident42 Ų4275.2 Ų75.229%0.29438%0.382SS..SBendtrans-123149.5172.368.30000111.3Q379 E384Q379-S382 PolarHBondContact O-N 3.18Å; Q379-S382 VanDerWaalsContact O-O 3.07Å; S382-E384 PolarHBondContact O-N 2.95Å
383E59Low79Confident135 Ų13576.6 Ų76.663%0.63140%0.397SS*.  trans-76.66170.6-68.2-168.1168.800112.3R385E383-R385 PolarHBondContact O-N 3.19Å
384E62.8Low78.8Confident144 Ų14483 Ų8367%0.67343%0.431SS*.  trans-79.5119.8-177.1-70.7-171162.600110.7S382 E386S382-E384 PolarHBondContact O-N 2.95Å; E384-E386 PolarHBondContact O-N 3.23Å
385R73.7Confident78.7Confident129 Ų12984.8 Ų84.849%0.48744%0.44SS..EExtended strand (participates in β ladder)trans-80.2115.9173.4-170.4-173.2-159176.517.3108.1H141 E383H141-R385 PolarHBondContact CE1-NH2 2.77Å; H141-R385 PolarHBondContact NE2-NH2 2.86Å; E383-R385 PolarHBondContact O-N 3.19Å
386E81.6Confident78.5Confident79 Ų7985.2 Ų85.237%0.36945%0.447SS..EExtended strand (participates in β ladder)trans-83.6125.4172.3-166178-147.700109.1S377 E384 K388S377-E386 PolarHBondContact N-O 3Å; S377-E386 VanDerWaalsContact N-O 3.1Å; S377-E386 PolarHBondContact O-N 2.74Å; E384-E386 PolarHBondContact O-N 3.23Å; E386-K388 HydrophobicContact CG-CG 4.43Å; E386-K388 WeakPolarHBondContact OE1-CE 3.35Å; E386-K388 IonicContact OE1-NZ 3.61Å; E386-K388 PolarHBondContact OE1-NZ 2.95Å; E386-K388 IonicContact OE2-NZ 2.75Å; E386-K388 PolarHBondContact OE2-NZ 3.41Å
387E88.3Confident78.4Confident111 Ų11189.4 Ų89.452%0.51948%0.477SS..EExtended strand (participates in β ladder)trans-119.3122.3177.6-173.6168.7-165.500109.3T374 Y375 Y376T374-E387 HydrophobicContact CG2-CG 3.43Å; T374-E387 VanDerWaalsContact CG2-CG 3.43Å; T374-E387 WeakPolarHBondContact CG2-OE1 3.37Å; Y375-E387 WeakPolarHBondContact O-CA 3.38Å; Y376-E387 HydrophobicContact CD1-CG 4.2Å; Y376-E387 HydrophobicContact CE1-CB 4.49Å; Y376-E387 VanDerWaalsContact CE1-CD 3.5Å; Y376-E387 HydrophobicContact CE1-CG 3.79Å; Y376-E387 VanDerWaalsContact CE1-OE1 3.27Å; Y376-E387 WeakPolarHBondContact CE1-OE1 3.38Å; Y376-E387 PolarHBondContact OH-OE1 3.23Å; Y376-E387 VanDerWaalsContact OH-OE1 3.07Å
388K89.4Confident78.5Confident72 Ų7293.8 Ų93.831%0.31350%0.499SS..EExtended strand (participates in β ladder)trans-132.5127.8179.2-73.2172.5175.71460110.4T374 Y375 E386 Y390T374-K388 WeakPolarHBondContact CA-O 3.41Å; Y375-K388 WeakPolarHBondContact CB-O 3.29Å; Y375-K388 HydrophobicContact CD1-CB 4.34Å; Y375-K388 HydrophobicContact CD1-CD 4.45Å; Y375-K388 PolarHBondContact N-O 3.42Å; Y375-K388 PolarHBondContact O-N 3.45Å; E386-K388 HydrophobicContact CG-CG 4.43Å; E386-K388 WeakPolarHBondContact OE1-CE 3.35Å; E386-K388 IonicContact OE1-NZ 3.61Å; E386-K388 PolarHBondContact OE1-NZ 2.95Å; E386-K388 IonicContact OE2-NZ 2.75Å; E386-K388 PolarHBondContact OE2-NZ 3.41Å; K388-Y390 HydrophobicContact CB-CE2 4.12Å
389T90.9Very high78.7Confident84 Ų8499.1 Ų99.152%0.51552%0.515SS..EExtended strand (participates in β ladder)trans-99.5127.9176.4-50.70000111.1Y372 F373 T374Y372-T389 HydrophobicContact CD1-CG2 4.31Å; Y372-T389 HydrophobicContact CG-CG2 4.38Å; F373-T389 CarbonylContact O-C 3.53Å; F373-T389 WeakPolarHBondContact O-CA 3.24Å; T374-T389 PolarHBondContact OG1-OG1 2.82Å
390Y89.8Confident79.2Confident43 Ų43100 Ų10017%0.16953%0.531CS..EExtended strand (participates in β ladder)trans-107.9136.5176.2-63.7-75.5000110.5F362 Y372 F373 Y375 K388 P396 V406 I410F362-Y390 HydrophobicContact CD1-CD2 4.36Å; F362-Y390 AromaticContact CE1-CD2 3.94Å; F362-Y390 HydrophobicContact CE1-CD2 3.94Å; F362-Y390 AromaticContact CE1-CE2 3.84Å; F362-Y390 HydrophobicContact CE1-CE2 3.84Å; Y372-Y390 CarbonylContact C-O 3.55Å; Y372-Y390 WeakPolarHBondContact CA-O 3.46Å; F373-Y390 PolarHBondContact N-O 3.06Å; F373-Y390 PolarHBondContact O-N 2.81Å; Y375-Y390 HydrophobicContact CG-CE2 4.24Å; K388-Y390 HydrophobicContact CB-CE2 4.12Å; Y390-P396 HydrophobicContact CD1-CG 3.97Å; Y390-P396 HydrophobicContact CE1-CG 3.8Å; Y390-V406 HydrophobicContact CD1-CG1 4.15Å; Y390-V406 HydrophobicContact CD2-CG1 4.05Å; Y390-V406 HydrophobicContact CE1-CG1 4.17Å; Y390-V406 HydrophobicContact CE2-CG1 4.06Å; Y390-V406 HydrophobicContact CG-CG1 4.08Å; Y390-I410 HydrophobicContact CD2-CD1 4.35Å; Y390-I410 HydrophobicContact CG-CD1 4.17Å
391S88.9Confident80Confident28 Ų2894.5 Ų94.520%0.19653%0.529CS..EExtended strand (participates in β ladder)trans-92.7135170.7173.80000110.2N393 N394 L395S391-N393 PolarHBondContact O-N 2.69Å; S391-N393 PolarHBondContact OG-N 2.73Å; S391-N394 CarbonylContact O-C 3.56Å; S391-N394 PolarHBondContact O-N 3.44Å; S391-N394 VanDerWaalsContact O-N 3.15Å; S391-L395 PolarHBondContact O-N 3.08Å
392V86Confident81.2Confident36 Ų3692.5 Ų92.522%0.21850%0.5CS..THydrogen-bonded Turntrans-60.1-31.5177.5176.50000112.1G370 K371 F373 I410 T414G370-V392 WeakPolarHBondContact O-CG2 3.41Å; K371-V392 PolarHBondContact O-N 2.74Å; F373-V392 HydrophobicContact CD2-CG2 3.91Å; F373-V392 HydrophobicContact CE2-CG2 3.78Å; V392-I410 HydrophobicContact CG2-CG2 3.83Å; V392-T414 HydrophobicContact CG1-CG2 4.33Å
393N85.6Confident82.3Confident144 Ų14496 Ų9677%0.7752%0.521SS*.THydrogen-bonded Turntrans-77-25.8-179.2-66.2-17.9000112.7S391S391-N393 PolarHBondContact O-N 2.69Å; S391-N393 PolarHBondContact OG-N 2.73Å
394N85.6Confident83.6Confident135 Ų13591.3 Ų91.372%0.72250%0.499SS*.SBendtrans-128.361.8-173.7-68.1-22000110.2S391S391-N394 CarbonylContact O-C 3.56Å; S391-N394 PolarHBondContact O-N 3.44Å; S391-N394 VanDerWaalsContact O-N 3.15Å
395L89.3Confident84.9Confident37 Ų3785.5 Ų85.519%0.19448%0.475CS..PPolyproline II helixtrans-74139-179.9-69.1167.7000111.1S391 I410 K411S391-L395 PolarHBondContact O-N 3.08Å; L395-I410 HydrophobicContact CD1-CB 4.44Å; L395-I410 HydrophobicContact CD1-CG2 4.28Å; L395-I410 HydrophobicContact CD2-CB 3.88Å; L395-I410 HydrophobicContact CD2-CD1 3.6Å; L395-I410 HydrophobicContact CD2-CG1 4.33Å; L395-I410 HydrophobicContact CD2-CG2 3.8Å; L395-K411 HydrophobicContact CD1-CD 4.37Å; L395-K411 HydrophobicContact CD1-CG 3.8Å
396P87.1Confident85.7Confident38 Ų3880.5 Ų80.525%0.24746%0.458CS..PPolyproline II helixtrans-66.4151.2178.930-36.6000111.2Y390 V406Y390-P396 HydrophobicContact CD1-CG 3.97Å; Y390-P396 HydrophobicContact CE1-CG 3.8Å; P396-V406 HydrophobicContact CG-CB 4.25Å; P396-V406 HydrophobicContact CG-CG1 4.22Å
397P86.1Confident86.1Confident116 Ų11677 Ų7775%0.75344%0.444SS*.PPolyproline II helixtrans-67.9157.7170.630.4-34.9000111.2R399P397-R399 PolarHBondContact O-N 3.27Å
398D87.8Confident86.2Confident109 Ų10974.4 Ų74.458%0.58344%0.438SS*.PPolyproline II helixtrans-66.4133.5179.4-65.1-21.4000111S405D398-S405 VanDerWaalsContact CG-OG 3.31Å; D398-S405 WeakPolarHBondContact OD1-CB 3.31Å; D398-S405 PolarHBondContact OD1-OG 3.24Å; D398-S405 PolarHBondContact OD2-OG 2.96Å
399R81.3Confident86.3Confident185 Ų18571.3 Ų71.370%0.69842%0.424SS*.PPolyproline II helixtrans-95.8127.9178.3-65.6-176.3-176.1176.8-0.6109.9P397 G401 S402P397-R399 PolarHBondContact O-N 3.27Å; R399-G401 PolarHBondContact O-N 3.14Å; R399-S402 WeakPolarHBondContact O-CB 3.42Å; R399-S402 PolarHBondContact O-N 3.23Å; R399-S402 VanDerWaalsContact O-N 3.16Å; R399-S402 PolarHBondContact O-OG 2.86Å
400P76.7Confident86.4Confident136 Ų13667.3 Ų67.388%0.88340%0.4SS*.THydrogen-bonded Turntrans-56.2132.1173.2-21.431.3000110.9S402P400-S402 VanDerWaalsContact C-N 3.34Å
401G76.9Confident86.4Confident88 Ų8870.8 Ų70.891%0.90742%0.416SS*.THydrogen-bonded Turntrans82.9-0.3-179.600000115.7R399R399-G401 PolarHBondContact O-N 3.14Å
402S79.9Confident86.4Confident52 Ų5270.2 Ų70.236%0.36441%0.41SS..  trans-72143.5170.559.90000111.5R399 P400 F404R399-S402 WeakPolarHBondContact O-CB 3.42Å; R399-S402 PolarHBondContact O-N 3.23Å; R399-S402 VanDerWaalsContact O-N 3.16Å; R399-S402 PolarHBondContact O-OG 2.86Å; P400-S402 VanDerWaalsContact C-N 3.34Å; S402-F404 PolarHBondContact O-N 2.94Å; S402-F404 PolarHBondContact OG-O 2.83Å
403P81.6Confident86.6Confident114 Ų11468.5 Ų68.574%0.7440%0.4SS*.SBendtrans-68.9-21-178.626.1-33.1000112.9
404F86.8Confident86.7Confident37 Ų3762.3 Ų62.316%0.16237%0.367CS..SBendtrans-154.5155.8178.652.3-98.2000111.5P356 D358 F362 Y375 S402 V406 L409P356-F404 HydrophobicContact CB-CD1 3.56Å; P356-F404 HydrophobicContact CB-CE1 3.51Å; P356-F404 HydrophobicContact CB-CG 4.23Å; P356-F404 HydrophobicContact CB-CZ 4.14Å; P356-F404 HydrophobicContact CG-CD1 4.18Å; P356-F404 HydrophobicContact CG-CE1 3.8Å; P356-F404 HydrophobicContact CG-CE2 4.36Å; P356-F404 HydrophobicContact CG-CZ 3.9Å; D358-F404 WeakPolarHBondContact OD2-CE1 3.36Å; F362-F404 AromaticContact CE2-CE2 3.77Å; F362-F404 HydrophobicContact CE2-CE2 3.77Å; F362-F404 HydrophobicContact CE2-CZ 4.13Å; F362-F404 AromaticContact CZ-CE2 3.77Å; F362-F404 HydrophobicContact CZ-CE2 3.77Å; F362-F404 HydrophobicContact CZ-CZ 4.38Å; Y375-F404 HydrophobicContact CE2-CZ 4.31Å; S402-F404 PolarHBondContact O-N 2.94Å; S402-F404 PolarHBondContact OG-O 2.83Å; F404-V406 HydrophobicContact CD2-CG2 4.43Å; F404-V406 HydrophobicContact CE2-CG2 4.12Å; F404-L409 HydrophobicContact CB-CD1 4.12Å; F404-L409 HydrophobicContact CD2-CD1 3.45Å; F404-L409 VanDerWaalsContact CD2-CD1 3.45Å; F404-L409 HydrophobicContact CD2-CG 4.4Å; F404-L409 HydrophobicContact CE2-CD1 4.05Å; F404-L409 HydrophobicContact CG-CD1 3.86Å
405S90.8Very high86.7Confident23 Ų2361.8 Ų61.816%0.16136%0.355CS..  trans-85.3110.5172161.60000110.6D398 G407 S408 L409D398-S405 VanDerWaalsContact CG-OG 3.31Å; D398-S405 WeakPolarHBondContact OD1-CB 3.31Å; D398-S405 PolarHBondContact OD1-OG 3.24Å; D398-S405 PolarHBondContact OD2-OG 2.96Å; S405-G407 PolarHBondContact O-N 2.8Å; S405-S408 VanDerWaalsContact CB-OG 3.25Å; S405-S408 WeakPolarHBondContact CB-OG 3.46Å; S405-S408 PolarHBondContact O-N 2.94Å; S405-S408 VanDerWaalsContact O-N 3.11Å; S405-S408 PolarHBondContact O-OG 3.47Å; S405-S408 WeakPolarHBondContact OG-CB 3.42Å; S405-S408 PolarHBondContact OG-N 3.34Å; S405-S408 PolarHBondContact OG-OG 2.86Å; S405-L409 WeakPolarHBondContact O-CG 3.44Å; S405-L409 PolarHBondContact O-N 3.21Å; S405-L409 VanDerWaalsContact O-N 3.1Å
406V90.6Very high86.6Confident23 Ų2360 Ų6014%0.13935%0.346CS..Hα-helixtrans-53.7-42.2175177.10000111.2F362 Y390 P396 F404 S408 L409 I410F362-V406 HydrophobicContact CE1-CG1 3.84Å; F362-V406 HydrophobicContact CE1-CG2 4.43Å; F362-V406 HydrophobicContact CZ-CG1 4.25Å; F362-V406 HydrophobicContact CZ-CG2 4.09Å; Y390-V406 HydrophobicContact CD1-CG1 4.15Å; Y390-V406 HydrophobicContact CD2-CG1 4.05Å; Y390-V406 HydrophobicContact CE1-CG1 4.17Å; Y390-V406 HydrophobicContact CE2-CG1 4.06Å; Y390-V406 HydrophobicContact CG-CG1 4.08Å; P396-V406 HydrophobicContact CG-CB 4.25Å; P396-V406 HydrophobicContact CG-CG1 4.22Å; F404-V406 HydrophobicContact CD2-CG2 4.43Å; F404-V406 HydrophobicContact CE2-CG2 4.12Å; V406-S408 PolarHBondContact O-N 3.06Å; V406-L409 PolarHBondContact O-N 3.33Å; V406-I410 HydrophobicContact CG1-CD1 3.68Å; V406-I410 HydrophobicContact CG1-CG1 4.44Å; V406-I410 WeakPolarHBondContact O-CG1 3.42Å; V406-I410 PolarHBondContact O-N 3.21Å
407G89.4Confident86.5Confident6 Ų658.3 Ų58.36%0.06234%0.335CS..Hα-helixtrans-62.6-41.5179.100000112.8S405 K411S405-G407 PolarHBondContact O-N 2.8Å; G407-K411 VanDerWaalsContact O-CB 3.29Å; G407-K411 WeakPolarHBondContact O-CB 3.4Å; G407-K411 WeakPolarHBondContact O-CD 3.48Å; G407-K411 WeakPolarHBondContact O-CG 3.49Å; G407-K411 PolarHBondContact O-N 3.37Å
408S90Very high86.3Confident56 Ų5657.1 Ų57.139%0.39232%0.319SS..Hα-helixtrans-65.9-44.2177.874.70000112.2S405 V406 K411 Q412S405-S408 VanDerWaalsContact CB-OG 3.25Å; S405-S408 WeakPolarHBondContact CB-OG 3.46Å; S405-S408 PolarHBondContact O-N 2.94Å; S405-S408 VanDerWaalsContact O-N 3.11Å; S405-S408 PolarHBondContact O-OG 3.47Å; S405-S408 WeakPolarHBondContact OG-CB 3.42Å; S405-S408 PolarHBondContact OG-N 3.34Å; S405-S408 PolarHBondContact OG-OG 2.86Å; V406-S408 PolarHBondContact O-N 3.06Å; S408-K411 PolarHBondContact O-N 3.31Å; S408-Q412 WeakPolarHBondContact O-CB 3.27Å; S408-Q412 PolarHBondContact O-N 2.84Å
409L91.9Very high86.1Confident7 Ų753.4 Ų53.44%0.03730%0.298CS..Hα-helixtrans-63.4-48.3-179.3-63.1-172.6000111.2V340 Y342 I354 P356 F362 F404 S405 V406 Q412 A413V340-L409 HydrophobicContact CG1-CD2 4.06Å; V340-L409 HydrophobicContact CG2-CD2 3.98Å; Y342-L409 VanDerWaalsContact OH-CD2 3.3Å; Y342-L409 WeakPolarHBondContact OH-CD2 3.23Å; I354-L409 HydrophobicContact CD1-CB 4.32Å; I354-L409 HydrophobicContact CG2-CB 4.46Å; I354-L409 HydrophobicContact CG2-CD1 4.4Å; P356-L409 HydrophobicContact CG-CD1 4.08Å; F362-L409 HydrophobicContact CE2-CD1 4.15Å; F404-L409 HydrophobicContact CB-CD1 4.12Å; F404-L409 HydrophobicContact CD2-CD1 3.45Å; F404-L409 VanDerWaalsContact CD2-CD1 3.45Å; F404-L409 HydrophobicContact CD2-CG 4.4Å; F404-L409 HydrophobicContact CE2-CD1 4.05Å; F404-L409 HydrophobicContact CG-CD1 3.86Å; S405-L409 WeakPolarHBondContact O-CG 3.44Å; S405-L409 PolarHBondContact O-N 3.21Å; S405-L409 VanDerWaalsContact O-N 3.1Å; V406-L409 PolarHBondContact O-N 3.33Å; L409-Q412 PolarHBondContact O-N 2.62Å; L409-A413 WeakPolarHBondContact O-CB 3.33Å; L409-A413 PolarHBondContact O-N 3.09Å
410I91.8Very high86.1Confident0 Ų044.6 Ų44.60%027%0.265CS..Hα-helixtrans-67.2-39.9-179.5-68.7173.1000111.1F362 F373 Y390 V392 L395 V406 Q412 A413 T414F362-I410 HydrophobicContact CD1-CD1 4.4Å; F373-I410 HydrophobicContact CB-CD1 3.84Å; F373-I410 HydrophobicContact CB-CG1 4.17Å; F373-I410 HydrophobicContact CD1-CG1 4.34Å; F373-I410 HydrophobicContact CD2-CB 4.43Å; F373-I410 HydrophobicContact CD2-CD1 4.36Å; F373-I410 HydrophobicContact CD2-CG1 4.16Å; F373-I410 HydrophobicContact CD2-CG2 3.54Å; F373-I410 HydrophobicContact CE2-CG2 3.6Å; F373-I410 HydrophobicContact CG-CD1 4.15Å; F373-I410 HydrophobicContact CG-CG1 3.97Å; F373-I410 HydrophobicContact CG-CG2 4.23Å; F373-I410 HydrophobicContact CZ-CG2 4.33Å; Y390-I410 HydrophobicContact CD2-CD1 4.35Å; Y390-I410 HydrophobicContact CG-CD1 4.17Å; V392-I410 HydrophobicContact CG2-CG2 3.83Å; L395-I410 HydrophobicContact CD1-CB 4.44Å; L395-I410 HydrophobicContact CD1-CG2 4.28Å; L395-I410 HydrophobicContact CD2-CB 3.88Å; L395-I410 HydrophobicContact CD2-CD1 3.6Å; L395-I410 HydrophobicContact CD2-CG1 4.33Å; L395-I410 HydrophobicContact CD2-CG2 3.8Å; V406-I410 HydrophobicContact CG1-CD1 3.68Å; V406-I410 HydrophobicContact CG1-CG1 4.44Å; V406-I410 WeakPolarHBondContact O-CG1 3.42Å; V406-I410 PolarHBondContact O-N 3.21Å; I410-Q412 PolarHBondContact O-N 2.85Å; I410-A413 PolarHBondContact O-N 2.79Å; I410-T414 WeakPolarHBondContact O-CB 3.42Å; I410-T414 PolarHBondContact O-N 2.75Å; I410-T414 PolarHBondContact O-OG1 3.11Å
411K89.9Confident86.2Confident117 Ų11738.3 Ų38.351%0.50922%0.224SC..Hα-helixtrans-61.7-43.8174.6-76.8173.5-177.5178.40111.5L395 G407 S408 T414 R415L395-K411 HydrophobicContact CD1-CD 4.37Å; L395-K411 HydrophobicContact CD1-CG 3.8Å; G407-K411 VanDerWaalsContact O-CB 3.29Å; G407-K411 WeakPolarHBondContact O-CB 3.4Å; G407-K411 WeakPolarHBondContact O-CD 3.48Å; G407-K411 WeakPolarHBondContact O-CG 3.49Å; G407-K411 PolarHBondContact O-N 3.37Å; S408-K411 PolarHBondContact O-N 3.31Å; K411-T414 PolarHBondContact O-N 3.34Å; K411-R415 VanDerWaalsContact O-CG 3.31Å; K411-R415 WeakPolarHBondContact O-CG 3.19Å; K411-R415 PolarHBondContact O-N 3.25Å
412Q89.2Confident86.4Confident15 Ų1538.1 Ų38.17%0.0720%0.198CC..Hα-helixtrans-62.5-48.6176.7-176.1169.52.100111.1Y326 Y342 S408 L409 I410 T414 R415 I416Y326-Q412 HydrophobicContact CE1-CG 3.95Å; Y342-Q412 HydrophobicContact CE1-CB 4.32Å; Y342-Q412 HydrophobicContact CE1-CG 4.25Å; Y342-Q412 HydrophobicContact CE2-CG 4.27Å; Y342-Q412 VanDerWaalsContact OH-CD 3.25Å; Y342-Q412 PolarHBondContact OH-OE1 3.4Å; S408-Q412 WeakPolarHBondContact O-CB 3.27Å; S408-Q412 PolarHBondContact O-N 2.84Å; L409-Q412 PolarHBondContact O-N 2.62Å; I410-Q412 PolarHBondContact O-N 2.85Å; Q412-T414 VanDerWaalsContact C-N 3.34Å; Q412-T414 PolarHBondContact O-N 3.02Å; Q412-R415 PolarHBondContact O-N 3.39Å; Q412-I416 HydrophobicContact CG-CD1 4.18Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.18Å; Q412-I416 PolarHBondContact O-N 2.75Å; Q412-I416 VanDerWaalsContact O-N 3.15Å
413A90.2Very high86.4Confident0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-54.7-47175.400000112.9Y342 I352 I354 F373 L409 I410 R415 I416 L417Y342-A413 HydrophobicContact CD1-CB 4.25Å; Y342-A413 HydrophobicContact CE1-CB 4.22Å; I352-A413 HydrophobicContact CD1-CB 3.45Å; I352-A413 VanDerWaalsContact CD1-CB 3.45Å; I352-A413 HydrophobicContact CG2-CB 4.19Å; I354-A413 HydrophobicContact CD1-CB 3.55Å; I354-A413 HydrophobicContact CG1-CB 4.1Å; F373-A413 HydrophobicContact CE1-CB 3.96Å; F373-A413 HydrophobicContact CZ-CB 3.86Å; L409-A413 WeakPolarHBondContact O-CB 3.33Å; L409-A413 PolarHBondContact O-N 3.09Å; I410-A413 PolarHBondContact O-N 2.79Å; A413-R415 PolarHBondContact O-N 3.47Å; A413-I416 PolarHBondContact O-N 2.97Å; A413-L417 PolarHBondContact O-N 3.01Å
414T87.9Confident86.3Confident15 Ų1534.2 Ų34.29%0.09216%0.163CC..Hα-helixtrans-63.3-41.8-179.5-54.50000111.7V392 I410 K411 Q412 I416 L417 Q418V392-T414 HydrophobicContact CG1-CG2 4.33Å; I410-T414 WeakPolarHBondContact O-CB 3.42Å; I410-T414 PolarHBondContact O-N 2.75Å; I410-T414 PolarHBondContact O-OG1 3.11Å; K411-T414 PolarHBondContact O-N 3.34Å; Q412-T414 VanDerWaalsContact C-N 3.34Å; Q412-T414 PolarHBondContact O-N 3.02Å; T414-I416 VanDerWaalsContact C-N 3.34Å; T414-I416 PolarHBondContact O-N 2.92Å; T414-L417 PolarHBondContact O-N 2.83Å; T414-Q418 WeakPolarHBondContact O-CG 3.48Å; T414-Q418 PolarHBondContact O-N 3.01Å
415R86.5Confident86Confident123 Ų12332.4 Ų32.446%0.46416%0.155SC..Hα-helixtrans-61.2-41.9176.4-73.8170.8179.3177.9-2.7112K411 Q412 A413 Q418 H419K411-R415 VanDerWaalsContact O-CG 3.31Å; K411-R415 WeakPolarHBondContact O-CG 3.19Å; K411-R415 PolarHBondContact O-N 3.25Å; Q412-R415 PolarHBondContact O-N 3.39Å; A413-R415 PolarHBondContact O-N 3.47Å; R415-Q418 PolarHBondContact O-N 3.38Å; R415-H419 PolarHBondContact O-N 3.2Å
416I86.5Confident85.5Confident0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-69.1-40.4178.6-53.6165.2000110.6Y328 V332 V335 Y342 F344 Q412 A413 T414 Q418 H419 C420Y328-I416 HydrophobicContact CE2-CB 4.35Å; Y328-I416 HydrophobicContact CE2-CG1 3.97Å; Y328-I416 HydrophobicContact CE2-CG2 3.85Å; Y328-I416 WeakPolarHBondContact OH-CD1 3.46Å; Y328-I416 WeakPolarHBondContact OH-CG1 3.48Å; V332-I416 HydrophobicContact CB-CG2 4.3Å; V332-I416 HydrophobicContact CG1-CG2 4.31Å; V332-I416 HydrophobicContact CG2-CG2 4.45Å; V335-I416 HydrophobicContact CB-CD1 4.49Å; V335-I416 HydrophobicContact CG2-CD1 4.11Å; Y342-I416 HydrophobicContact CG-CD1 4.4Å; F344-I416 HydrophobicContact CD1-CG2 4.38Å; F344-I416 HydrophobicContact CE1-CB 3.76Å; F344-I416 HydrophobicContact CE1-CG2 3.45Å; F344-I416 VanDerWaalsContact CE1-CG2 3.45Å; F344-I416 HydrophobicContact CE2-CB 4.34Å; F344-I416 HydrophobicContact CE2-CD1 4.24Å; F344-I416 HydrophobicContact CE2-CG2 3.65Å; F344-I416 HydrophobicContact CZ-CB 3.37Å; F344-I416 HydrophobicContact CZ-CD1 3.77Å; F344-I416 HydrophobicContact CZ-CG1 4.16Å; F344-I416 HydrophobicContact CZ-CG2 3.04Å; Q412-I416 HydrophobicContact CG-CD1 4.18Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.18Å; Q412-I416 PolarHBondContact O-N 2.75Å; Q412-I416 VanDerWaalsContact O-N 3.15Å; A413-I416 PolarHBondContact O-N 2.97Å; T414-I416 VanDerWaalsContact C-N 3.34Å; T414-I416 PolarHBondContact O-N 2.92Å; I416-Q418 PolarHBondContact O-N 2.87Å; I416-H419 WeakPolarHBondContact O-CB 3.3Å; I416-H419 PolarHBondContact O-N 3.13Å; I416-C420 PolarHBondContact O-N 3.48Å; I416-C420 PolarHBondContact O-SG 3.3Å
417L85.4Confident84.8Confident2 Ų233.4 Ų33.41%0.0116%0.159CC..Hα-helixtrans-57.7-46.5173.2-77175.5000112F344 N350 I352 F369 A413 T414 H419 C420 V421F344-L417 HydrophobicContact CD1-CD2 4.11Å; F344-L417 HydrophobicContact CE1-CD2 4.12Å; F344-L417 HydrophobicContact CE1-CG 4.26Å; N350-L417 HydrophobicContact CB-CD2 4.28Å; I352-L417 HydrophobicContact CB-CD1 4.44Å; I352-L417 HydrophobicContact CB-CD2 4.07Å; I352-L417 HydrophobicContact CB-CG 4.25Å; I352-L417 HydrophobicContact CG2-CD1 3.63Å; I352-L417 HydrophobicContact CG2-CD2 4.16Å; I352-L417 HydrophobicContact CG2-CG 3.91Å; F369-L417 HydrophobicContact CD1-CB 4.44Å; A413-L417 PolarHBondContact O-N 3.01Å; T414-L417 PolarHBondContact O-N 2.83Å; L417-H419 VanDerWaalsContact C-N 3.33Å; L417-H419 PolarHBondContact O-N 2.95Å; L417-C420 PolarHBondContact O-N 2.81Å; L417-V421 WeakPolarHBondContact O-CG2 3.07Å; L417-V421 PolarHBondContact O-N 2.98Å
418Q82.3Confident83.6Confident91 Ų9135.6 Ų35.643%0.42517%0.173SC..Hα-helixtrans-57.3-45.8174.8-73.9173.7-1600112.1F369 T414 R415 I416 V421 K422F369-Q418 HydrophobicContact CD1-CG 3.97Å; F369-Q418 HydrophobicContact CE1-CB 4.18Å; F369-Q418 HydrophobicContact CE1-CG 3.5Å; F369-Q418 HydrophobicContact CZ-CG 4.08Å; T414-Q418 WeakPolarHBondContact O-CG 3.48Å; T414-Q418 PolarHBondContact O-N 3.01Å; R415-Q418 PolarHBondContact O-N 3.38Å; I416-Q418 PolarHBondContact O-N 2.87Å; Q418-V421 PolarHBondContact O-N 3.45Å; Q418-K422 WeakPolarHBondContact O-CB 3.04Å; Q418-K422 PolarHBondContact O-N 3.15Å
419H82.1Confident81.9Confident32 Ų3236.1 Ų36.115%0.14817%0.169CC..Hα-helixtrans-59.9-49.1175.9-177.285.5000111.7Y328 R415 I416 L417 V421 K422 M423Y328-H419 WeakPolarHBondContact CB-NE2 3.32Å; Y328-H419 HydrophobicContact CD2-CB 4.29Å; Y328-H419 AromaticContact CD2-CD2 3.55Å; Y328-H419 AromaticContact CD2-CG 3.74Å; Y328-H419 PolarHBondContact N-CE1 3.31Å; Y328-H419 VanDerWaalsContact N-CE1 3.29Å; Y328-H419 PolarHBondContact O-CE1 2.87Å; Y328-H419 PolarHBondContact O-NE2 2.94Å; R415-H419 PolarHBondContact O-N 3.2Å; I416-H419 WeakPolarHBondContact O-CB 3.3Å; I416-H419 PolarHBondContact O-N 3.13Å; L417-H419 VanDerWaalsContact C-N 3.33Å; L417-H419 PolarHBondContact O-N 2.95Å; H419-V421 VanDerWaalsContact C-N 3.33Å; H419-V421 PolarHBondContact O-N 3.28Å; H419-K422 WeakPolarHBondContact O-CB 3.35Å; H419-K422 PolarHBondContact O-N 3.48Å; H419-K422 VanDerWaalsContact O-N 3.17Å; H419-M423 WeakPolarHBondContact NE2-CG 3.4Å; H419-M423 WeakPolarHBondContact O-CG 3.27Å; H419-M423 PolarHBondContact O-N 3.27Å
420C81.4Confident80.1Confident0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-62.7-37.1-179.9-710000113I416 L417 M423 R424I416-C420 PolarHBondContact O-N 3.48Å; I416-C420 PolarHBondContact O-SG 3.3Å; L417-C420 PolarHBondContact O-N 2.81Å; C420-M423 PolarHBondContact O-N 3.06Å; C420-R424 WeakPolarHBondContact O-CB 3.27Å; C420-R424 PolarHBondContact O-N 2.9Å
421V80.1Confident78.4Confident3 Ų340.9 Ų40.92%0.01819%0.193CC..Hα-helixtrans-64.5-47.1173.5172.40000110.5F369 L417 Q418 H419 M423 R424 L425 W504 L516F369-V421 HydrophobicContact CE1-CB 4.38Å; F369-V421 HydrophobicContact CE1-CG2 4.02Å; F369-V421 HydrophobicContact CZ-CB 4.35Å; F369-V421 HydrophobicContact CZ-CG1 4.35Å; F369-V421 HydrophobicContact CZ-CG2 4.28Å; L417-V421 WeakPolarHBondContact O-CG2 3.07Å; L417-V421 PolarHBondContact O-N 2.98Å; Q418-V421 PolarHBondContact O-N 3.45Å; H419-V421 VanDerWaalsContact C-N 3.33Å; H419-V421 PolarHBondContact O-N 3.28Å; V421-M423 VanDerWaalsContact C-N 3.29Å; V421-M423 PolarHBondContact O-N 3.38Å; V421-R424 PolarHBondContact O-N 3.35Å; V421-L425 HydrophobicContact CG1-CD1 3.76Å; V421-L425 HydrophobicContact CG1-CG 4.39Å; V421-L425 WeakPolarHBondContact O-CB 3.46Å; V421-L425 WeakPolarHBondContact O-CG 3.36Å; V421-L425 PolarHBondContact O-N 3.38Å; V421-W504 HydrophobicContact CG1-CB 4.4Å; V421-L516 HydrophobicContact CB-CD1 4.47Å; V421-L516 HydrophobicContact CG1-CD1 4.21Å; V421-L516 HydrophobicContact CG1-CD2 4.19Å
422K81Confident76.7Confident84 Ų8444 Ų4437%0.36520%0.201SC..Hα-helixtrans-57.8-42.5176.6-172.3174.8177.4174.70111.7Q418 H419 L425 S426 D514 L516Q418-K422 WeakPolarHBondContact O-CB 3.04Å; Q418-K422 PolarHBondContact O-N 3.15Å; H419-K422 WeakPolarHBondContact O-CB 3.35Å; H419-K422 PolarHBondContact O-N 3.48Å; H419-K422 VanDerWaalsContact O-N 3.17Å; K422-L425 CarbonylContact O-C 3.56Å; K422-L425 PolarHBondContact O-N 3.04Å; K422-S426 PolarHBondContact O-N 3.27Å; K422-D514 WeakPolarHBondContact CE-OD2 3.22Å; K422-D514 IonicContact NZ-OD2 2.7Å; K422-D514 PolarHBondContact NZ-OD2 2.77Å; K422-L516 HydrophobicContact CB-CD1 4.3Å
423M79.2Confident75.6Confident36 Ų3644.5 Ų44.518%0.17720%0.204CC..Hα-helixtrans-68.1-40.2177.1-72.7-56.2-68.400112.9P329 Q331 H419 C420 V421 L425 S426P329-M423 VanDerWaalsContact O-CE 3.26Å; P329-M423 WeakPolarHBondContact O-CE 3.47Å; Q331-M423 HydrophobicContact CG-CB 4.32Å; H419-M423 WeakPolarHBondContact NE2-CG 3.4Å; H419-M423 WeakPolarHBondContact O-CG 3.27Å; H419-M423 PolarHBondContact O-N 3.27Å; C420-M423 PolarHBondContact O-N 3.06Å; V421-M423 VanDerWaalsContact C-N 3.29Å; V421-M423 PolarHBondContact O-N 3.38Å; M423-L425 VanDerWaalsContact C-N 3.3Å; M423-L425 PolarHBondContact O-N 3.43Å; M423-S426 VanDerWaalsContact O-CB 3.27Å; M423-S426 WeakPolarHBondContact O-CB 3.06Å; M423-S426 PolarHBondContact O-N 3.45Å; M423-S426 VanDerWaalsContact O-N 3.13Å
424R78.9Confident74.8Confident48 Ų4844.6 Ų44.618%0.18120%0.204CC..Hα-helixtrans-65.5-34.1176.3-174.6172.5170.6165.5-1.9112.3Q347 N350 C420 V421 S426 K470 L502Q347-R424 PolarHBondContact O-NH1 2.62Å; N350-R424 PolarHBondContact OD1-NH1 2.88Å; C420-R424 WeakPolarHBondContact O-CB 3.27Å; C420-R424 PolarHBondContact O-N 2.9Å; V421-R424 PolarHBondContact O-N 3.35Å; R424-S426 VanDerWaalsContact C-N 3.3Å; R424-K470 WeakPolarHBondContact O-CE 3.25Å; R424-L502 HydrophobicContact CG-CD1 4.08Å
425L80.5Confident74.6Confident0 Ų043.9 Ų43.90%020%0.2CC..THydrogen-bonded Turntrans-84.6-1.7174.9-65.5174.5000113.3V421 K422 M423 T482 L502 K506 L516V421-L425 HydrophobicContact CG1-CD1 3.76Å; V421-L425 HydrophobicContact CG1-CG 4.39Å; V421-L425 WeakPolarHBondContact O-CB 3.46Å; V421-L425 WeakPolarHBondContact O-CG 3.36Å; V421-L425 PolarHBondContact O-N 3.38Å; K422-L425 CarbonylContact O-C 3.56Å; K422-L425 PolarHBondContact O-N 3.04Å; M423-L425 VanDerWaalsContact C-N 3.3Å; M423-L425 PolarHBondContact O-N 3.43Å; L425-T482 WeakPolarHBondContact O-CB 3.44Å; L425-T482 WeakPolarHBondContact O-CG2 3.18Å; L425-L502 HydrophobicContact CD2-CD1 3.73Å; L425-L502 HydrophobicContact CG-CD1 4.25Å; L425-K506 HydrophobicContact CB-CB 3.8Å; L425-K506 HydrophobicContact CB-CD 4.45Å; L425-K506 HydrophobicContact CD1-CB 4.01Å; L425-L516 HydrophobicContact CD1-CD2 3.74Å
426S80.8Confident74.3Confident24 Ų2440.2 Ų40.217%0.16819%0.186CC..SBendtrans-77.5143.6174.7-173.20000110.6K422 M423 R424 S428 K470K422-S426 PolarHBondContact O-N 3.27Å; M423-S426 VanDerWaalsContact O-CB 3.27Å; M423-S426 WeakPolarHBondContact O-CB 3.06Å; M423-S426 PolarHBondContact O-N 3.45Å; M423-S426 VanDerWaalsContact O-N 3.13Å; R424-S426 VanDerWaalsContact C-N 3.3Å; S426-S428 WeakPolarHBondContact CB-OG 3.42Å; S426-S428 PolarHBondContact O-N 3.41Å; S426-S428 PolarHBondContact OG-N 2.77Å; S426-S428 PolarHBondContact OG-OG 2.86Å; S426-K470 PolarHBondContact O-NZ 2.74Å
427L75Confident73.8Confident42 Ų4245 Ų4522%0.2221%0.207CC..  trans-76.9-0.9170.5-64.8180000112.6H429 Y466 K470 H472 T482L427-H429 PolarHBondContact O-CE1 3.34Å; L427-H429 PolarHBondContact O-N 2.95Å; L427-H429 PolarHBondContact O-ND1 2.79Å; L427-H429 PolarHBondContact O-NE2 3.36Å; L427-Y466 HydrophobicContact CD2-CE2 3.93Å; L427-K470 HydrophobicContact CD2-CD 4.42Å; L427-H472 HydrophobicContact CD1-CB 4.42Å; L427-H472 HydrophobicContact CD2-CB 4.28Å; L427-T482 HydrophobicContact CD2-CG2 4.11Å
428S65.8Low72.9Confident52 Ų5247.5 Ų47.536%0.36422%0.22SC..  trans-60.1102.7173.152.90000110.7S426 N430S426-S428 WeakPolarHBondContact CB-OG 3.42Å; S426-S428 PolarHBondContact O-N 3.41Å; S426-S428 PolarHBondContact OG-N 2.77Å; S426-S428 PolarHBondContact OG-OG 2.86Å; S428-N430 PolarHBondContact O-N 3.37Å
429H53.9Low71.5Confident67 Ų6747.8 Ų47.831%0.3123%0.228SC..THydrogen-bonded Turntrans-74.228.2-158.9-70.9102.5000117L427 L448L427-H429 PolarHBondContact O-CE1 3.34Å; L427-H429 PolarHBondContact O-N 2.95Å; L427-H429 PolarHBondContact O-ND1 2.79Å; L427-H429 PolarHBondContact O-NE2 3.36Å; H429-L448 HydrophobicContact CB-CD2 4.21Å
430N53.4Low69.7Low70 Ų7052.1 Ų52.137%0.37426%0.258SS..THydrogen-bonded Turntrans-131.5-2.5-144.3-96.1-14.2000116.9R311 S428 R432R311-N430 VanDerWaalsContact CZ-CB 3.44Å; R311-N430 PolarHBondContact NH1-O 3.16Å; R311-N430 PolarHBondContact NH2-O 2.79Å; R311-N430 VanDerWaalsContact NH2-O 3.08Å; R311-N430 PolarHBondContact NH2-OD1 2.94Å; R311-N430 VanDerWaalsContact NH2-OD1 3.1Å; S428-N430 PolarHBondContact O-N 3.37Å; N430-R432 PolarHBondContact O-N 2.84Å
431Y55.5Low68Low38 Ų3855.9 Ų55.915%0.14930%0.297CS..THydrogen-bonded Turntrans-81.2-8.2-176.557.8-92.4000115.1K470Y431-K470 PolarHBondContact OH-NZ 3.25Å
432R55Low66.4Low183 Ų18360 Ų6069%0.69132%0.318SS*.THydrogen-bonded Turntrans-101.6-11.6-179.8-66.5-164.5175.4-172.33114.5N430 C434N430-R432 PolarHBondContact O-N 2.84Å; R432-C434 PolarHBondContact O-N 3.3Å
433I65.6Low64.6Low24 Ų2461.9 Ų61.912%0.12333%0.332CS..  trans-96.596-175.8-45.7-177.2000108L309 M438 I447 L448L309-I433 HydrophobicContact CD1-CG2 4.08Å; L309-I433 HydrophobicContact CD2-CG2 4.34Å; I433-M438 HydrophobicContact CG2-CE 3.42Å; I433-M438 VanDerWaalsContact CG2-CE 3.42Å; I433-M438 HydrophobicContact CG2-SD 4.16Å; I433-I447 HydrophobicContact CB-CG2 4.41Å; I433-I447 HydrophobicContact CD1-CG2 3.44Å; I433-I447 VanDerWaalsContact CD1-CG2 3.44Å; I433-I447 HydrophobicContact CG1-CG2 3.46Å; I433-I447 VanDerWaalsContact CG1-CG2 3.46Å; I433-I447 HydrophobicContact CG2-CG2 4.24Å; I433-L448 HydrophobicContact CD1-CD2 4.49Å
434C73.5Confident63.1Low2 Ų266.5 Ų66.51%0.01436%0.358CS..  trans-120.6148173.786.20000111.3D12 P29 R432 W436 K437 M438D12-C434 HydrophobicContact CB-CB 3.82Å; P29-C434 HydrophobicContact CB-CB 4.07Å; R432-C434 PolarHBondContact O-N 3.3Å; C434-W436 PolarHBondContact O-N 2.93Å; C434-W436 VanDerWaalsContact SG-CE2 3.53Å; C434-W436 PolarHBondContact SG-NE1 2.75Å; C434-K437 PolarHBondContact O-N 2.87Å; C434-K437 VanDerWaalsContact SG-CB 3.58Å; C434-K437 WeakPolarHBondContact SG-CD 3.29Å; C434-K437 WeakPolarHBondContact SG-CG 3.17Å; C434-M438 PolarHBondContact O-N 3.42Å
435C84.7Confident61.4Low1 Ų167.6 Ų67.61%0.00737%0.373CS..THydrogen-bonded Turntrans-62.5-20.2-164.157.80000115.6C30 C304 V306 L309 H310C30-C435 WeakPolarHBondContact CB-SG 3.3Å; C304-C435 WeakPolarHBondContact SG-CB 3.38Å; V306-C435 HydrophobicContact CG2-CB 3.69Å; V306-C435 WeakPolarHBondContact CG2-O 3.26Å; L309-C435 HydrophobicContact CB-CB 4.39Å; H310-C435 VanDerWaalsContact CD2-SG 3.6Å; H310-C435 PolarHBondContact NE2-SG 3.29Å
436W79.3Confident59.8Low45 Ų4573.4 Ų73.417%0.1740%0.404CS..THydrogen-bonded Turntrans-103.6-12.1178.160.4-94.1000113.6D12 D13 P29 C30 Y81 L300 C434D12-W436 PolarHBondContact O-NE1 3.35Å; D13-W436 HydrophobicContact CB-CZ2 4.37Å; D13-W436 VanDerWaalsContact OD2-CZ2 3.22Å; D13-W436 WeakPolarHBondContact OD2-CZ2 3.39Å; P29-W436 PolarHBondContact O-NE1 3.04Å; P29-W436 VanDerWaalsContact O-NE1 3.16Å; C30-W436 HydrophobicContact CB-CB 4.3Å; C30-W436 HydrophobicContact CB-CG 4.45Å; Y81-W436 AromaticContact CD2-CE3 3.77Å; Y81-W436 HydrophobicContact CD2-CE3 3.77Å; Y81-W436 HydrophobicContact CD2-CH2 4.15Å; Y81-W436 AromaticContact CD2-CZ3 3.43Å; Y81-W436 HydrophobicContact CD2-CZ3 3.43Å; Y81-W436 VanDerWaalsContact CD2-CZ3 3.43Å; Y81-W436 HydrophobicContact CE2-CE3 4.21Å; Y81-W436 AromaticContact CE2-CZ3 3.71Å; Y81-W436 HydrophobicContact CE2-CZ3 3.71Å; L300-W436 HydrophobicContact CD1-CG 4.29Å; L300-W436 HydrophobicContact CD2-CB 3.86Å; L300-W436 HydrophobicContact CD2-CG 4.24Å; C434-W436 PolarHBondContact O-N 2.93Å; C434-W436 VanDerWaalsContact SG-CE2 3.53Å; C434-W436 PolarHBondContact SG-NE1 2.75Å
437K75.4Confident58.7Low101 Ų10174.7 Ų74.744%0.43941%0.408SS..THydrogen-bonded Turntrans-84.6-12.3171.2-72.5176.1-163.7170.90112.2E11 C434 V439E11-K437 PolarHBondContact O-NZ 2.68Å; C434-K437 PolarHBondContact O-N 2.87Å; C434-K437 VanDerWaalsContact SG-CB 3.58Å; C434-K437 WeakPolarHBondContact SG-CD 3.29Å; C434-K437 WeakPolarHBondContact SG-CG 3.17Å; K437-V439 PolarHBondContact O-N 3.12Å
438M67.1Low58Low54 Ų5477.3 Ų77.327%0.26642%0.422SS..  trans-70.3113.7174.4-69.4-64.8-134.900110.5V306 L309 I433 C434 I447V306-M438 HydrophobicContact CG2-CB 4.5Å; V306-M438 HydrophobicContact CG2-CG 4.46Å; L309-M438 HydrophobicContact CD1-CE 3.62Å; L309-M438 HydrophobicContact CD1-CG 3.85Å; I433-M438 HydrophobicContact CG2-CE 3.42Å; I433-M438 VanDerWaalsContact CG2-CE 3.42Å; I433-M438 HydrophobicContact CG2-SD 4.16Å; C434-M438 PolarHBondContact O-N 3.42Å; M438-I447 HydrophobicContact CE-CD1 3.6Å; M438-I447 HydrophobicContact SD-CD1 3.65Å
439V53.3Low58.2Low98 Ų9876.1 Ų76.159%0.59441%0.413SS*.  trans-81.3121.9168-178.10000107.9K437 G441 I442K437-V439 PolarHBondContact O-N 3.12Å; V439-G441 PolarHBondContact O-N 2.83Å; V439-G441 VanDerWaalsContact O-N 3.15Å; V439-I442 HydrophobicContact CB-CD1 4.04Å
440P43.9Very low59.3Low122 Ų12277.5 Ų77.579%0.79242%0.422SS*.THydrogen-bonded Turntrans-59.5119.4176-20.131000110.5
441G46.6Very low60.7Low79 Ų7977.6 Ų77.681%0.81443%0.425SS*.THydrogen-bonded Turntrans118.1-0.7173.700000116.8V439V439-G441 PolarHBondContact O-N 2.83Å; V439-G441 VanDerWaalsContact O-N 3.15Å
442I46.9Very low62Low90 Ų9081.3 Ų81.346%0.46245%0.447SS..SBendtrans-89.7120.3170.2-58.6174.5000108V439 D444 N446V439-I442 HydrophobicContact CB-CD1 4.04Å; I442-D444 PolarHBondContact O-N 2.9Å; I442-N446 HydrophobicContact CG2-CB 4.08Å
443N42.1Very low63.5Low123 Ų12377.7 Ų77.766%0.65844%0.436SS*.  trans-48.9137.3176-82.6-9.3000111.4S445 N446N443-S445 PolarHBondContact O-N 2.83Å; N443-N446 PolarHBondContact O-N 3.46Å
444D47.3Very low64.7Low134 Ų13480.8 Ų80.872%0.71745%0.45SS*.G310 helixtrans-52.6-19.2179.7-64.9-42.5000113.8I442 N446I442-D444 PolarHBondContact O-N 2.9Å; D444-N446 VanDerWaalsContact C-N 3.29Å; D444-N446 PolarHBondContact O-N 2.92Å
445S44.5Very low65.5Low71 Ų7182 Ų8250%0.49746%0.459SS..G310 helixtrans-68.2-16179.960.50000115.4N443N443-S445 PolarHBondContact O-N 2.83Å
446N46.4Very low65.8Low121 Ų12188.4 Ų88.465%0.64749%0.492SS*.G310 helixtrans-96.25.3-176.4-71.2-13.2000114.2I442 N443 D444I442-N446 HydrophobicContact CG2-CB 4.08Å; N443-N446 PolarHBondContact O-N 3.46Å; D444-N446 VanDerWaalsContact C-N 3.29Å; D444-N446 PolarHBondContact O-N 2.92Å
447I56.7Low66.2Low52 Ų5288.2 Ų88.227%0.26749%0.494SS..THydrogen-bonded Turntrans-109.1-29.3-166-52.3-178.1000112.2I433 M438I433-I447 HydrophobicContact CB-CG2 4.41Å; I433-I447 HydrophobicContact CD1-CG2 3.44Å; I433-I447 VanDerWaalsContact CD1-CG2 3.44Å; I433-I447 HydrophobicContact CG1-CG2 3.46Å; I433-I447 VanDerWaalsContact CG1-CG2 3.46Å; I433-I447 HydrophobicContact CG2-CG2 4.24Å; M438-I447 HydrophobicContact CE-CD1 3.6Å; M438-I447 HydrophobicContact SD-CD1 3.65Å
448L62.3Low66.8Low97 Ų9788.5 Ų88.551%0.50851%0.506SS..SBendtrans-87141.7176.1-68.8170.4000110.8H429 I433 L450H429-L448 HydrophobicContact CB-CD2 4.21Å; I433-L448 HydrophobicContact CD1-CD2 4.49Å; L448-L450 PolarHBondContact O-N 3.3Å
449P68.2Low67.6Low26 Ų2690.8 Ų90.817%0.16953%0.527CS..  trans-56.6115.5171.8-2838.6000110.8Y466 S467 D468P449-Y466 HydrophobicContact CB-CD1 4.22Å; P449-S467 WeakPolarHBondContact CA-OG 3.19Å; P449-D468 HydrophobicContact CB-CB 4.16Å; P449-D468 HydrophobicContact CG-CB 4.01Å
450L76.9Confident69.3Low96 Ų9687.6 Ų87.650%0.50351%0.508SS..  trans-83.8140178.3-65.4170.2000108.7L448 L452 Y466 S467L448-L450 PolarHBondContact O-N 3.3Å; L450-L452 PolarHBondContact O-N 3.26Å; L450-L452 VanDerWaalsContact O-N 3.09Å; L450-Y466 CarbonylContact O-C 3.47Å; L450-Y466 VanDerWaalsContact O-CA 3.29Å; L450-Y466 WeakPolarHBondContact O-CA 3.15Å; L450-S467 PolarHBondContact N-OG 3.32Å; L450-S467 PolarHBondContact O-N 3.01Å
451V83.2Confident71.6Confident72 Ų7282 Ų8244%0.43647%0.472SS..EExtended strand (participates in β ladder)trans-69.1108.6170179.80000107.7E454 L464 A465 Y466V451-E454 HydrophobicContact CG1-CB 4.44Å; V451-L464 HydrophobicContact CG1-CD2 3.86Å; V451-A465 CarbonylContact C-O 3.5Å; V451-Y466 HydrophobicContact CG2-CD1 3.92Å; V451-Y466 HydrophobicContact CG2-CE1 3.59Å
452L84.2Confident73.9Confident116 Ų11683.2 Ų83.261%0.60745%0.452SS*.EExtended strand (participates in β ladder)trans-77.9-37.2177.5-65.4-177.5000111.6L450 A465L450-L452 PolarHBondContact O-N 3.26Å; L450-L452 VanDerWaalsContact O-N 3.09Å; L452-A465 PolarHBondContact N-O 3.21Å
453K84.8Confident76.1Confident107 Ų10779 Ų7947%0.46543%0.43SS..EExtended strand (participates in β ladder)trans-145.9136.8-179.6-169.167.1176.3-176.20111.1L464 A465 W535 L539K453-L464 CarbonylContact O-C 3.54Å; K453-L464 WeakPolarHBondContact O-CA 3.22Å; K453-A465 HydrophobicContact CB-CB 4.27Å; K453-A465 PolarHBondContact N-O 2.64Å; K453-A465 PolarHBondContact O-N 2.81Å; K453-W535 HydrophobicContact CG-CZ2 4.46Å; K453-L539 HydrophobicContact CB-CD1 4.48Å; K453-L539 HydrophobicContact CD-CD2 4.46Å; K453-L539 HydrophobicContact CG-CD1 4.22Å; K453-L539 HydrophobicContact CG-CD2 3.82Å
454E91.5Very high78.5Confident90 Ų9073.6 Ų73.642%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-119.1143.3168.8-177.9171.3166.200109.7V451 R462 F463 L464V451-E454 HydrophobicContact CG1-CB 4.44Å; E454-R462 IonicContact OE1-CZ 3.09Å; E454-R462 IonicContact OE1-NE 3.84Å; E454-R462 PolarHBondContact OE1-NE 2.99Å; E454-R462 IonicContact OE1-NH2 2.82Å; E454-R462 PolarHBondContact OE1-NH2 3.46Å; E454-R462 IonicContact OE2-CZ 3.76Å; E454-R462 IonicContact OE2-NE 2.72Å; E454-R462 IonicContact OE2-NH2 2.84Å; E454-R462 PolarHBondContact OE2-NH2 3.45Å; E454-F463 CarbonylContact C-O 3.59Å; E454-F463 WeakPolarHBondContact CA-O 3.44Å; E454-L464 HydrophobicContact CB-CD2 3.95Å; E454-L464 HydrophobicContact CG-CD2 3.7Å
455S90.7Very high80.5Confident28 Ų2867.4 Ų67.420%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-142.8127.2171.9-62.60000110.1F463 W535S455-F463 PolarHBondContact N-O 3.2Å; S455-F463 PolarHBondContact O-N 2.81Å; S455-W535 VanDerWaalsContact CB-NE1 3.27Å; S455-W535 PolarHBondContact OG-NE1 3.39Å; S455-W535 VanDerWaalsContact OG-NE1 3.13Å
456L90.4Very high82.4Confident134 Ų13465.2 Ų65.270%0.70235%0.35SS*.EExtended strand (participates in β ladder)trans-97.9115169.2-16780.6000108.1R462L456-R462 HydrophobicContact CD1-CB 4.14Å; L456-R462 HydrophobicContact CD1-CG 4.43Å
457I89.1Confident83.9Confident42 Ų4262.1 Ų62.122%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-102114.7178.3-56.9177.6000107.7S459 V460 G461 F463I457-S459 PolarHBondContact O-N 2.89Å; I457-V460 HydrophobicContact CB-CB 3.98Å; I457-V460 HydrophobicContact CB-CG2 4.46Å; I457-V460 HydrophobicContact CG2-CB 3.76Å; I457-V460 HydrophobicContact CG2-CG2 3.67Å; I457-V460 PolarHBondContact O-N 3.03Å; I457-V460 VanDerWaalsContact O-N 3.12Å; I457-G461 PolarHBondContact N-O 2.91Å; I457-G461 PolarHBondContact O-N 3.49Å; I457-F463 HydrophobicContact CD1-CD2 3.96Å; I457-F463 HydrophobicContact CD1-CE2 3.94Å; I457-F463 HydrophobicContact CD1-CG 4.4Å; I457-F463 HydrophobicContact CD1-CZ 4.27Å; I457-F463 HydrophobicContact CG1-CD2 4.27Å; I457-F463 HydrophobicContact CG1-CE2 4.43Å
458P85.9Confident84.7Confident106 Ų10660.6 Ų60.669%0.68833%0.331SS*.THydrogen-bonded Turntrans-53.1140.6178.7-25.333.9000111.2V460P458-V460 PolarHBondContact O-N 2.8Å
459S83.9Confident85.5Confident103 Ų10358.7 Ų58.772%0.7232%0.321SS*.THydrogen-bonded Turntrans61.23-178.371.80000116.9I457I457-S459 PolarHBondContact O-N 2.89Å
460V90.6Very high86.4Confident31 Ų3157.5 Ų57.519%0.18831%0.313CS..THydrogen-bonded Turntrans-118.2-57.1179.6-179.60000111.2I457 P458 F463 F475 L476 T531I457-V460 HydrophobicContact CB-CB 3.98Å; I457-V460 HydrophobicContact CB-CG2 4.46Å; I457-V460 HydrophobicContact CG2-CB 3.76Å; I457-V460 HydrophobicContact CG2-CG2 3.67Å; I457-V460 PolarHBondContact O-N 3.03Å; I457-V460 VanDerWaalsContact O-N 3.12Å; P458-V460 PolarHBondContact O-N 2.8Å; V460-F463 HydrophobicContact CG1-CE2 3.75Å; V460-F463 HydrophobicContact CG1-CZ 3.76Å; V460-F475 HydrophobicContact CG1-CD1 3.95Å; V460-F475 HydrophobicContact CG1-CE1 3.87Å; V460-F475 WeakPolarHBondContact O-CA 3.39Å; V460-L476 PolarHBondContact O-N 2.84Å; V460-L476 VanDerWaalsContact O-N 3.09Å; V460-T531 HydrophobicContact CG1-CG2 3.75Å
461G92.1Very high87Confident4 Ų453 Ų534%0.04129%0.289CS..EExtended strand (participates in β ladder)trans148.9-166.1-176.400000115.1I457 I474I457-G461 PolarHBondContact N-O 2.91Å; I457-G461 PolarHBondContact O-N 3.49Å; G461-I474 CarbonylContact C-O 3.55Å; G461-I474 WeakPolarHBondContact CA-O 3.43Å
462R93.9Very high87.4Confident105 Ų10550.4 Ų50.440%0.39627%0.272SS..EExtended strand (participates in β ladder)trans-106.6131.7-178.4-172.7-177.8-173.5-170.10.4110.6E454 L456 A473 I474E454-R462 IonicContact OE1-CZ 3.09Å; E454-R462 IonicContact OE1-NE 3.84Å; E454-R462 PolarHBondContact OE1-NE 2.99Å; E454-R462 IonicContact OE1-NH2 2.82Å; E454-R462 PolarHBondContact OE1-NH2 3.46Å; E454-R462 IonicContact OE2-CZ 3.76Å; E454-R462 IonicContact OE2-NE 2.72Å; E454-R462 IonicContact OE2-NH2 2.84Å; E454-R462 PolarHBondContact OE2-NH2 3.45Å; L456-R462 HydrophobicContact CD1-CB 4.14Å; L456-R462 HydrophobicContact CD1-CG 4.43Å; R462-A473 CarbonylContact O-C 3.55Å; R462-A473 WeakPolarHBondContact O-CA 3.48Å; R462-I474 PolarHBondContact N-O 2.89Å; R462-I474 PolarHBondContact O-N 3.25Å
463F94.6Very high87.9Confident0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-123.3131.9-175.7-68.4-118.9000109.1E454 S455 I457 V460 A473 F475 T531 V532 W535E454-F463 CarbonylContact C-O 3.59Å; E454-F463 WeakPolarHBondContact CA-O 3.44Å; S455-F463 PolarHBondContact N-O 3.2Å; S455-F463 PolarHBondContact O-N 2.81Å; I457-F463 HydrophobicContact CD1-CD2 3.96Å; I457-F463 HydrophobicContact CD1-CE2 3.94Å; I457-F463 HydrophobicContact CD1-CG 4.4Å; I457-F463 HydrophobicContact CD1-CZ 4.27Å; I457-F463 HydrophobicContact CG1-CD2 4.27Å; I457-F463 HydrophobicContact CG1-CE2 4.43Å; V460-F463 HydrophobicContact CG1-CE2 3.75Å; V460-F463 HydrophobicContact CG1-CZ 3.76Å; F463-A473 HydrophobicContact CD1-CB 3.73Å; F463-A473 HydrophobicContact CD2-CB 4.49Å; F463-A473 HydrophobicContact CE1-CB 3.73Å; F463-A473 HydrophobicContact CE2-CB 4.43Å; F463-A473 HydrophobicContact CG-CB 4.11Å; F463-A473 HydrophobicContact CZ-CB 4.06Å; F463-F475 AromaticContact CZ-CE1 3.89Å; F463-F475 HydrophobicContact CZ-CE1 3.89Å; F463-F475 HydrophobicContact CZ-CZ 4.04Å; F463-T531 HydrophobicContact CE1-CG2 4.15Å; F463-T531 HydrophobicContact CZ-CG2 3.78Å; F463-V532 HydrophobicContact CD1-CG2 4.28Å; F463-V532 HydrophobicContact CE1-CB 4.24Å; F463-V532 HydrophobicContact CE1-CG2 3.62Å; F463-V532 HydrophobicContact CZ-CG2 4.43Å; F463-W535 HydrophobicContact CB-CD2 3.99Å; F463-W535 HydrophobicContact CB-CE3 4.26Å; F463-W535 HydrophobicContact CB-CH2 3.95Å; F463-W535 HydrophobicContact CB-CZ2 3.64Å; F463-W535 HydrophobicContact CB-CZ3 4.28Å; F463-W535 HydrophobicContact CD1-CB 4.25Å; F463-W535 AromaticContact CD1-CD2 3.94Å; F463-W535 HydrophobicContact CD1-CD2 3.94Å; F463-W535 HydrophobicContact CD1-CE3 4.09Å; F463-W535 HydrophobicContact CD1-CG 4.05Å; F463-W535 HydrophobicContact CE1-CB 4.49Å; F463-W535 HydrophobicContact CG-CD2 4.31Å
464L91.2Very high88.3Confident11 Ų1142.8 Ų42.86%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-129.2130.7-174.9-62.4164.5000108.7V451 K453 E454 Y466 V471 H472V451-L464 HydrophobicContact CG1-CD2 3.86Å; K453-L464 CarbonylContact O-C 3.54Å; K453-L464 WeakPolarHBondContact O-CA 3.22Å; E454-L464 HydrophobicContact CB-CD2 3.95Å; E454-L464 HydrophobicContact CG-CD2 3.7Å; L464-Y466 HydrophobicContact CB-CE2 4.11Å; L464-V471 CarbonylContact O-C 3.45Å; L464-V471 VanDerWaalsContact O-CA 3.31Å; L464-V471 WeakPolarHBondContact O-CA 3.44Å; L464-H472 HydrophobicContact CB-CB 4.5Å; L464-H472 PolarHBondContact N-O 3.4Å; L464-H472 PolarHBondContact O-N 2.78Å
465A88.7Confident88.5Confident4 Ų438.9 Ų38.93%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-113.1128.1168.600000108.9V451 L452 K453 V471 F487 W535V451-A465 CarbonylContact C-O 3.5Å; L452-A465 PolarHBondContact N-O 3.21Å; K453-A465 HydrophobicContact CB-CB 4.27Å; K453-A465 PolarHBondContact N-O 2.64Å; K453-A465 PolarHBondContact O-N 2.81Å; A465-V471 HydrophobicContact CB-CG2 4.32Å; A465-F487 HydrophobicContact CB-CE2 4.24Å; A465-F487 HydrophobicContact CB-CZ 4.17Å; A465-W535 HydrophobicContact CB-CH2 3.86Å; A465-W535 HydrophobicContact CB-CZ3 4.23Å
466Y84.9Confident88.5Confident25 Ų2543.8 Ų43.810%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-100.9160.4-178.8-64-88000111.4L427 P449 L450 V451 L464 D468 D469 K470 H472L427-Y466 HydrophobicContact CD2-CE2 3.93Å; P449-Y466 HydrophobicContact CB-CD1 4.22Å; L450-Y466 CarbonylContact O-C 3.47Å; L450-Y466 VanDerWaalsContact O-CA 3.29Å; L450-Y466 WeakPolarHBondContact O-CA 3.15Å; V451-Y466 HydrophobicContact CG2-CD1 3.92Å; V451-Y466 HydrophobicContact CG2-CE1 3.59Å; L464-Y466 HydrophobicContact CB-CE2 4.11Å; Y466-D468 WeakPolarHBondContact CB-OD1 3.35Å; Y466-D468 PolarHBondContact O-N 3.33Å; Y466-D469 PolarHBondContact O-N 3.41Å; Y466-K470 HydrophobicContact CD2-CB 4.04Å; Y466-K470 WeakPolarHBondContact CD2-O 3.48Å; Y466-K470 PolarHBondContact N-O 2.82Å; Y466-H472 HydrophobicContact CE2-CB 3.78Å
467S77.7Confident88.5Confident56 Ų5640.6 Ų40.639%0.39223%0.226SC..THydrogen-bonded Turntrans-70.7-8.9179.167.20000114.7P449 L450 D469P449-S467 WeakPolarHBondContact CA-OG 3.19Å; L450-S467 PolarHBondContact N-OG 3.32Å; L450-S467 PolarHBondContact O-N 3.01Å; S467-D469 VanDerWaalsContact C-N 3.33Å
468D74.8Confident88.4Confident20 Ų2040.4 Ų40.411%0.10723%0.234CC..THydrogen-bonded Turntrans-97.425.2175.171.3-22000112.9P449 Y466 K470P449-D468 HydrophobicContact CB-CB 4.16Å; P449-D468 HydrophobicContact CG-CB 4.01Å; Y466-D468 WeakPolarHBondContact CB-OD1 3.35Å; Y466-D468 PolarHBondContact O-N 3.33Å; D468-K470 PolarHBondContact O-N 2.98Å; D468-K470 WeakPolarHBondContact OD1-CB 3.29Å; D468-K470 WeakPolarHBondContact OD1-CG 3.23Å; D468-K470 PolarHBondContact OD1-N 2.74Å; D468-K470 VanDerWaalsContact OD2-CD 3.27Å; D468-K470 WeakPolarHBondContact OD2-CD 3.14Å; D468-K470 WeakPolarHBondContact OD2-CE 3.42Å; D468-K470 IonicContact OD2-NZ 2.66Å; D468-K470 PolarHBondContact OD2-NZ 3.42Å
469D79.3Confident88.7Confident57 Ų5736.1 Ų36.131%0.30521%0.205SC..SBendtrans63.311.3-176.5-60.8-47.9000114.3Y466 S467 N484 W485Y466-D469 PolarHBondContact O-N 3.41Å; S467-D469 VanDerWaalsContact C-N 3.33Å; D469-N484 CarbonylContact O-C 3.59Å; D469-N484 VanDerWaalsContact O-CA 3.29Å; D469-N484 WeakPolarHBondContact O-CA 3.42Å; D469-W485 WeakPolarHBondContact CB-O 3.31Å; D469-W485 PolarHBondContact O-N 2.82Å
470K86Confident89.2Confident1 Ų132.5 Ų32.50%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-81.4139.3174.4-69179.4-171.4145.30111.3R424 S426 L427 Y431 Y466 D468R424-K470 WeakPolarHBondContact O-CE 3.25Å; S426-K470 PolarHBondContact O-NZ 2.74Å; L427-K470 HydrophobicContact CD2-CD 4.42Å; Y431-K470 PolarHBondContact OH-NZ 3.25Å; Y466-K470 HydrophobicContact CD2-CB 4.04Å; Y466-K470 WeakPolarHBondContact CD2-O 3.48Å; Y466-K470 PolarHBondContact N-O 2.82Å; D468-K470 PolarHBondContact O-N 2.98Å; D468-K470 WeakPolarHBondContact OD1-CB 3.29Å; D468-K470 WeakPolarHBondContact OD1-CG 3.23Å; D468-K470 PolarHBondContact OD1-N 2.74Å; D468-K470 VanDerWaalsContact OD2-CD 3.27Å; D468-K470 WeakPolarHBondContact OD2-CD 3.14Å; D468-K470 WeakPolarHBondContact OD2-CE 3.42Å; D468-K470 IonicContact OD2-NZ 2.66Å; D468-K470 PolarHBondContact OD2-NZ 3.42Å
471V89.2Confident89.3Confident0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-117.8127.5168.9173.30000107.8L464 A465 T482 L483 W485 F487 V532 W535L464-V471 CarbonylContact O-C 3.45Å; L464-V471 VanDerWaalsContact O-CA 3.31Å; L464-V471 WeakPolarHBondContact O-CA 3.44Å; A465-V471 HydrophobicContact CB-CG2 4.32Å; V471-T482 CarbonylContact O-C 3.55Å; V471-T482 VanDerWaalsContact O-CA 3.29Å; V471-T482 WeakPolarHBondContact O-CA 3.33Å; V471-L483 HydrophobicContact CB-CD1 3.89Å; V471-L483 HydrophobicContact CB-CG 4.33Å; V471-L483 HydrophobicContact CG2-CD1 4.3Å; V471-L483 PolarHBondContact N-O 3.04Å; V471-L483 PolarHBondContact O-N 3.38Å; V471-W485 HydrophobicContact CG2-CB 3.88Å; V471-F487 HydrophobicContact CG2-CE2 3.97Å; V471-F487 HydrophobicContact CG2-CZ 3.75Å; V471-V532 HydrophobicContact CG1-CG1 3.62Å; V471-W535 HydrophobicContact CG1-CE3 4.08Å; V471-W535 HydrophobicContact CG1-CZ3 3.57Å; V471-W535 HydrophobicContact CG2-CZ3 4.26Å
472H92.5Very high89.2Confident18 Ų1831 Ų318%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-122.5125.8177.2-173.366000109.9L427 L464 Y466 I474 L481 T482L427-H472 HydrophobicContact CD1-CB 4.42Å; L427-H472 HydrophobicContact CD2-CB 4.28Å; L464-H472 HydrophobicContact CB-CB 4.5Å; L464-H472 PolarHBondContact N-O 3.4Å; L464-H472 PolarHBondContact O-N 2.78Å; Y466-H472 HydrophobicContact CE2-CB 3.78Å; H472-I474 WeakPolarHBondContact NE2-CG1 3.33Å; H472-L481 CarbonylContact C-O 3.49Å; H472-L481 WeakPolarHBondContact CA-O 3.48Å; H472-T482 PolarHBondContact ND1-OG1 2.95Å
473A93.6Very high89Confident0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-118.6135.1176.100000109.9R462 F463 F475 T480 L481 V532R462-A473 CarbonylContact O-C 3.55Å; R462-A473 WeakPolarHBondContact O-CA 3.48Å; F463-A473 HydrophobicContact CD1-CB 3.73Å; F463-A473 HydrophobicContact CD2-CB 4.49Å; F463-A473 HydrophobicContact CE1-CB 3.73Å; F463-A473 HydrophobicContact CE2-CB 4.43Å; F463-A473 HydrophobicContact CG-CB 4.11Å; F463-A473 HydrophobicContact CZ-CB 4.06Å; A473-F475 HydrophobicContact CB-CD2 4.49Å; A473-F475 HydrophobicContact CB-CE2 3.89Å; A473-F475 HydrophobicContact CB-CZ 4.29Å; A473-T480 CarbonylContact O-C 3.59Å; A473-T480 WeakPolarHBondContact O-CA 3.49Å; A473-T480 WeakPolarHBondContact O-CB 3.43Å; A473-L481 PolarHBondContact N-O 2.88Å; A473-L481 PolarHBondContact O-N 2.79Å; A473-V532 HydrophobicContact CB-CG2 3.57Å
474I94.4Very high88.5Confident64 Ų6426.7 Ų26.733%0.32815%0.153SC..EExtended strand (participates in β ladder)trans-115.5108.2177-57169.9000106.4G461 R462 H472 T480G461-I474 CarbonylContact C-O 3.55Å; G461-I474 WeakPolarHBondContact CA-O 3.43Å; R462-I474 PolarHBondContact N-O 2.89Å; R462-I474 PolarHBondContact O-N 3.25Å; H472-I474 WeakPolarHBondContact NE2-CG1 3.33Å; I474-T480 HydrophobicContact CB-CG2 4.39Å; I474-T480 HydrophobicContact CG1-CG2 4.1Å; I474-T480 HydrophobicContact CG2-CG2 4.21Å
475F94.1Very high88Confident8 Ų827.2 Ų27.24%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-85.1156.5-179.8-66.6-90.5000111.3V460 F463 A473 D477 G478 I479 L481 Y528 T531 V532V460-F475 HydrophobicContact CG1-CD1 3.95Å; V460-F475 HydrophobicContact CG1-CE1 3.87Å; V460-F475 WeakPolarHBondContact O-CA 3.39Å; F463-F475 AromaticContact CZ-CE1 3.89Å; F463-F475 HydrophobicContact CZ-CE1 3.89Å; F463-F475 HydrophobicContact CZ-CZ 4.04Å; A473-F475 HydrophobicContact CB-CD2 4.49Å; A473-F475 HydrophobicContact CB-CE2 3.89Å; A473-F475 HydrophobicContact CB-CZ 4.29Å; F475-D477 WeakPolarHBondContact CB-OD1 3.46Å; F475-D477 PolarHBondContact O-N 3.32Å; F475-G478 PolarHBondContact O-N 3.05Å; F475-I479 WeakPolarHBondContact CB-O 3.19Å; F475-I479 WeakPolarHBondContact CD2-O 3.2Å; F475-I479 PolarHBondContact N-O 3.4Å; F475-L481 HydrophobicContact CE2-CB 3.98Å; F475-Y528 HydrophobicContact CB-CD1 4.39Å; F475-Y528 HydrophobicContact CB-CE1 4.25Å; F475-Y528 AromaticContact CD1-CD1 3.73Å; F475-Y528 HydrophobicContact CD1-CD1 3.73Å; F475-Y528 HydrophobicContact CD1-CE1 4.15Å; F475-Y528 AromaticContact CD2-CD1 3.6Å; F475-Y528 HydrophobicContact CD2-CD1 3.6Å; F475-Y528 HydrophobicContact CD2-CE1 4.27Å; F475-Y528 HydrophobicContact CD2-CG 4.5Å; F475-Y528 AromaticContact CE1-CD1 3.77Å; F475-Y528 HydrophobicContact CE1-CD1 3.77Å; F475-Y528 AromaticContact CE2-CD1 3.65Å; F475-Y528 HydrophobicContact CE2-CD1 3.65Å; F475-Y528 HydrophobicContact CE2-CG 4.22Å; F475-Y528 AromaticContact CG-CD1 3.64Å; F475-Y528 HydrophobicContact CG-CD1 3.64Å; F475-Y528 AromaticContact CG-CE1 3.97Å; F475-Y528 HydrophobicContact CG-CE1 3.97Å; F475-Y528 AromaticContact CZ-CD1 3.72Å; F475-Y528 HydrophobicContact CZ-CD1 3.72Å; F475-Y528 HydrophobicContact CZ-CG 4.29Å; F475-T531 HydrophobicContact CE1-CG2 4.26Å; F475-V532 HydrophobicContact CE2-CG2 4.19Å; F475-V532 HydrophobicContact CZ-CG2 3.82Å
476L91.7Very high87.3Confident130 Ų13029 Ų2968%0.68116%0.164SC*.THydrogen-bonded Turntrans-66.3-20.3-177.6-66.3178.6000114.1V460 G478V460-L476 PolarHBondContact O-N 2.84Å; V460-L476 VanDerWaalsContact O-N 3.09Å; L476-G478 PolarHBondContact O-N 2.93Å
477D89.9Confident86.5Confident68 Ų6830.4 Ų30.436%0.36417%0.17SC..THydrogen-bonded Turntrans-81.54.2173.948.430.3000113.2F475 I479 P510 Y528F475-D477 WeakPolarHBondContact CB-OD1 3.46Å; F475-D477 PolarHBondContact O-N 3.32Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 3.42Å; D477-I479 WeakPolarHBondContact OD1-CB 3.23Å; D477-I479 PolarHBondContact OD1-N 3.49Å; D477-I479 VanDerWaalsContact OD1-N 3.16Å; D477-P510 WeakPolarHBondContact O-CG 3.29Å; D477-Y528 VanDerWaalsContact OD2-CE1 3.28Å; D477-Y528 WeakPolarHBondContact OD2-CE1 3.43Å; D477-Y528 PolarHBondContact OD2-OH 3.05Å
478G87.7Confident85.5Confident38 Ų3832.2 Ų32.239%0.39218%0.183SC..SBendtrans83.5-2.8178.900000114.1F475 L476F475-G478 PolarHBondContact O-N 3.05Å; L476-G478 PolarHBondContact O-N 2.93Å
479I92.5Very high84.2Confident16 Ų1633.1 Ų33.18%0.08219%0.191CC..  trans-73.5135.6172.3-68.2166.2000108.6F475 D477 L507 T508 F509 P510 Y528F475-I479 WeakPolarHBondContact CB-O 3.19Å; F475-I479 WeakPolarHBondContact CD2-O 3.2Å; F475-I479 PolarHBondContact N-O 3.4Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 3.42Å; D477-I479 WeakPolarHBondContact OD1-CB 3.23Å; D477-I479 PolarHBondContact OD1-N 3.49Å; D477-I479 VanDerWaalsContact OD1-N 3.16Å; I479-L507 HydrophobicContact CG2-CD2 3.34Å; I479-T508 WeakPolarHBondContact CA-O 3.43Å; I479-F509 HydrophobicContact CD1-CD1 4.16Å; I479-F509 HydrophobicContact CD1-CE1 4.31Å; I479-F509 HydrophobicContact CG1-CD1 4.05Å; I479-P510 HydrophobicContact CG1-CG 4.4Å; I479-Y528 HydrophobicContact CB-CE1 4.32Å; I479-Y528 HydrophobicContact CD1-CE1 4.14Å; I479-Y528 HydrophobicContact CD1-CE2 3.83Å; I479-Y528 VanDerWaalsContact CD1-CZ 3.48Å; I479-Y528 VanDerWaalsContact CD1-OH 3.29Å; I479-Y528 WeakPolarHBondContact CD1-OH 3.5Å; I479-Y528 HydrophobicContact CG2-CD1 4.4Å; I479-Y528 HydrophobicContact CG2-CE1 4.4Å
480T92.9Very high82.4Confident26 Ų2635.3 Ų35.316%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-116144.2171.672.60000110.7A473 I474 L507 T508A473-T480 CarbonylContact O-C 3.59Å; A473-T480 WeakPolarHBondContact O-CA 3.49Å; A473-T480 WeakPolarHBondContact O-CB 3.43Å; I474-T480 HydrophobicContact CB-CG2 4.39Å; I474-T480 HydrophobicContact CG1-CG2 4.1Å; I474-T480 HydrophobicContact CG2-CG2 4.21Å; T480-L507 CarbonylContact O-C 3.55Å; T480-L507 VanDerWaalsContact O-CA 3.31Å; T480-L507 WeakPolarHBondContact O-CA 3.48Å; T480-T508 PolarHBondContact N-O 3.15Å; T480-T508 PolarHBondContact O-N 2.95Å; T480-T508 WeakPolarHBondContact OG1-CB 3.27Å
481L92.9Very high80.3Confident0 Ų042.4 Ų42.40%025%0.245CC..EExtended strand (participates in β ladder)trans-125.1127.8179.8-177.1158000109.2H472 A473 F475 L483 C505 K506 L507 V529 V532H472-L481 CarbonylContact C-O 3.49Å; H472-L481 WeakPolarHBondContact CA-O 3.48Å; A473-L481 PolarHBondContact N-O 2.88Å; A473-L481 PolarHBondContact O-N 2.79Å; F475-L481 HydrophobicContact CE2-CB 3.98Å; L481-L483 HydrophobicContact CD2-CB 4.22Å; L481-L483 HydrophobicContact CD2-CD2 3.74Å; L481-L483 HydrophobicContact CD2-CG 3.93Å; L481-C505 HydrophobicContact CD1-CB 4.48Å; L481-C505 HydrophobicContact CD2-CB 4.11Å; L481-C505 HydrophobicContact CG-CB 4.18Å; L481-K506 CarbonylContact C-O 3.49Å; L481-K506 WeakPolarHBondContact CA-O 3.31Å; L481-L507 HydrophobicContact CB-CD2 3.86Å; L481-L507 HydrophobicContact CB-CG 4.46Å; L481-L507 HydrophobicContact CD1-CD2 4.09Å; L481-L507 HydrophobicContact CD1-CG 4.34Å; L481-L507 HydrophobicContact CG-CD2 4.2Å; L481-L507 HydrophobicContact CG-CG 4.37Å; L481-V529 HydrophobicContact CD1-CG2 4Å; L481-V532 HydrophobicContact CB-CG2 4.45Å; L481-V532 HydrophobicContact CD1-CG2 4.1Å; L481-V532 HydrophobicContact CD2-CB 4.19Å; L481-V532 HydrophobicContact CD2-CG1 4.04Å; L481-V532 HydrophobicContact CD2-CG2 3.86Å; L481-V532 HydrophobicContact CG-CG2 4.35Å
482T91Very high77.7Confident4 Ų450.1 Ų50.13%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-121.1129.1174.1-46.50000110.1L425 L427 V471 H472 C505 K506L425-T482 WeakPolarHBondContact O-CB 3.44Å; L425-T482 WeakPolarHBondContact O-CG2 3.18Å; L427-T482 HydrophobicContact CD2-CG2 4.11Å; V471-T482 CarbonylContact O-C 3.55Å; V471-T482 VanDerWaalsContact O-CA 3.29Å; V471-T482 WeakPolarHBondContact O-CA 3.33Å; H472-T482 PolarHBondContact ND1-OG1 2.95Å; T482-C505 CarbonylContact O-C 3.55Å; T482-C505 WeakPolarHBondContact O-CA 3.3Å; T482-K506 PolarHBondContact N-O 2.94Å; T482-K506 PolarHBondContact O-N 2.75Å
483L89.6Confident74.8Confident0 Ų057.7 Ų57.70%031%0.313CS..EExtended strand (participates in β ladder)trans-140.7161.9174.863.477.6000110.7V471 L481 W485 C505 I519 V532 T533V471-L483 HydrophobicContact CB-CD1 3.89Å; V471-L483 HydrophobicContact CB-CG 4.33Å; V471-L483 HydrophobicContact CG2-CD1 4.3Å; V471-L483 PolarHBondContact N-O 3.04Å; V471-L483 PolarHBondContact O-N 3.38Å; L481-L483 HydrophobicContact CD2-CB 4.22Å; L481-L483 HydrophobicContact CD2-CD2 3.74Å; L481-L483 HydrophobicContact CD2-CG 3.93Å; L483-W485 HydrophobicContact CD1-CB 3.72Å; L483-W485 HydrophobicContact CD1-CE3 4.1Å; L483-C505 HydrophobicContact CB-CB 3.83Å; L483-C505 HydrophobicContact CD2-CB 4.45Å; L483-I519 HydrophobicContact CD2-CD1 4.42Å; L483-V532 HydrophobicContact CD2-CB 4.42Å; L483-V532 HydrophobicContact CD2-CG1 3.8Å; L483-V532 HydrophobicContact CG-CG1 4.24Å; L483-T533 HydrophobicContact CD2-CG2 4.32Å
484N83.8Confident71.9Confident14 Ų1469.8 Ų69.88%0.07536%0.359CS..EExtended strand (participates in β ladder)trans-97.2130.4167.8-68.821.8000109.3D469 N501 L502D469-N484 CarbonylContact O-C 3.59Å; D469-N484 VanDerWaalsContact O-CA 3.29Å; D469-N484 WeakPolarHBondContact O-CA 3.42Å; N484-N501 PolarHBondContact O-OD1 2.81Å; N484-L502 HydrophobicContact CB-CD1 3.68Å; N484-L502 HydrophobicContact CB-CG 4.22Å; N484-L502 VanDerWaalsContact CG-CD1 3.45Å
485W80.9Confident68.7Low22 Ų2274.7 Ų74.78%0.08338%0.381CS..EExtended strand (participates in β ladder)trans-131.3114.7177.9-166.7-84.1000109.5D469 V471 L483 F487 N501 T533 C536 R537D469-W485 WeakPolarHBondContact CB-O 3.31Å; D469-W485 PolarHBondContact O-N 2.82Å; V471-W485 HydrophobicContact CG2-CB 3.88Å; L483-W485 HydrophobicContact CD1-CB 3.72Å; L483-W485 HydrophobicContact CD1-CE3 4.1Å; W485-F487 HydrophobicContact CB-CE2 4.16Å; W485-F487 HydrophobicContact CB-CZ 4.13Å; W485-F487 AromaticContact CD1-CD1 3.71Å; W485-F487 AromaticContact CD1-CE1 3.43Å; W485-F487 VanDerWaalsContact CD1-CE1 3.43Å; W485-F487 AromaticContact CD1-CZ 3.62Å; W485-F487 HydrophobicContact CG-CE1 4.31Å; W485-F487 HydrophobicContact CG-CE2 4.49Å; W485-F487 HydrophobicContact CG-CZ 4.12Å; W485-F487 WeakPolarHBondContact O-CD2 3.46Å; W485-F487 VanDerWaalsContact O-CE2 3.32Å; W485-F487 WeakPolarHBondContact O-CE2 3.4Å; W485-F487 PolarHBondContact O-N 3.15Å; W485-N501 VanDerWaalsContact CE3-OD1 3.31Å; W485-N501 WeakPolarHBondContact CZ3-ND2 3.5Å; W485-T533 HydrophobicContact CZ3-CG2 3.88Å; W485-C536 HydrophobicContact CD2-CB 3.47Å; W485-C536 VanDerWaalsContact CD2-CB 3.47Å; W485-C536 VanDerWaalsContact CE2-CB 3.43Å; W485-C536 HydrophobicContact CE3-CB 4.02Å; W485-C536 HydrophobicContact CG-CB 3.72Å; W485-C536 HydrophobicContact CH2-CB 4.41Å; W485-C536 HydrophobicContact CZ2-CB 3.93Å; W485-C536 HydrophobicContact CZ3-CB 4.45Å; W485-R537 HydrophobicContact CH2-CG 4.01Å; W485-R537 HydrophobicContact CZ2-CG 3.82Å
486N73.8Confident65.7Low42 Ų4281.2 Ų81.223%0.22542%0.421CS..  trans-78.2117.1178.1-171.9-15.4000110.3S488 L500N486-S488 WeakPolarHBondContact OD1-CA 3.46Å; N486-S488 WeakPolarHBondContact OD1-CB 3.25Å; N486-S488 PolarHBondContact OD1-N 3.49Å; N486-S488 PolarHBondContact OD1-OG 2.72Å; N486-L500 HydrophobicContact CB-CB 4.14Å
487F69Low62.7Low54 Ų5481.1 Ų81.124%0.23742%0.421CS..  trans-89.80.6177.2-62.4-81.5000113.6A465 V471 W485 C536 L539 F540A465-F487 HydrophobicContact CB-CE2 4.24Å; A465-F487 HydrophobicContact CB-CZ 4.17Å; V471-F487 HydrophobicContact CG2-CE2 3.97Å; V471-F487 HydrophobicContact CG2-CZ 3.75Å; W485-F487 HydrophobicContact CB-CE2 4.16Å; W485-F487 HydrophobicContact CB-CZ 4.13Å; W485-F487 AromaticContact CD1-CD1 3.71Å; W485-F487 AromaticContact CD1-CE1 3.43Å; W485-F487 VanDerWaalsContact CD1-CE1 3.43Å; W485-F487 AromaticContact CD1-CZ 3.62Å; W485-F487 HydrophobicContact CG-CE1 4.31Å; W485-F487 HydrophobicContact CG-CE2 4.49Å; W485-F487 HydrophobicContact CG-CZ 4.12Å; W485-F487 WeakPolarHBondContact O-CD2 3.46Å; W485-F487 VanDerWaalsContact O-CE2 3.32Å; W485-F487 WeakPolarHBondContact O-CE2 3.4Å; W485-F487 PolarHBondContact O-N 3.15Å; F487-C536 HydrophobicContact CE1-CB 4.41Å; F487-L539 HydrophobicContact CE1-CB 4.42Å; F487-L539 HydrophobicContact CE1-CD1 4.43Å; F487-F540 WeakPolarHBondContact O-CE2 3.09Å
488S56.9Low60.3Low95 Ų9584.3 Ų84.366%0.66443%0.434SS*.SBendtrans-101.3-8.3-165.3-47.10000115.8N486N486-S488 WeakPolarHBondContact OD1-CA 3.46Å; N486-S488 WeakPolarHBondContact OD1-CB 3.25Å; N486-S488 PolarHBondContact OD1-N 3.49Å; N486-S488 PolarHBondContact OD1-OG 2.72Å
489S46.2Very low57.6Low38 Ų3885.3 Ų85.327%0.26644%0.444SS..  trans-108.6119.5-178.470.20000113.1I491 F540S489-I491 PolarHBondContact O-N 2.86Å; S489-F540 WeakPolarHBondContact O-CZ 3.42Å
490P41.3Very low55.5Low103 Ų10388 Ų8867%0.66946%0.458SS*.  trans-68.3121.8164.428.7-29.5000108.3E492P490-E492 VanDerWaalsContact C-N 3.27Å; P490-E492 PolarHBondContact O-N 3.22Å
491I42.9Very low53.6Low150 Ų15088.6 Ų88.677%0.76946%0.46SS*.  trans-66.890.3171.4-63.1165.4000107.1S489 K493S489-I491 PolarHBondContact O-N 2.86Å; I491-K493 PolarHBondContact O-N 2.99Å
492E33.4Very low51.8Low163 Ų16389 Ų8976%0.76246%0.462SS*.  trans-69.8112.2164-85.2-162.6138.900109P490P490-E492 VanDerWaalsContact C-N 3.27Å; P490-E492 PolarHBondContact O-N 3.22Å
493K31.8Very low50.7Low176 Ų17689 Ų8977%0.76546%0.463SS*.SBendtrans56105.1148.3-63.4175.4-177.6167.60117.3I491 Q495I491-K493 PolarHBondContact O-N 2.99Å; K493-Q495 PolarHBondContact O-N 3.17Å
494R33.4Very low50.2Low254 Ų25490.8 Ų90.896%0.95847%0.47SS*.  trans23.768.7139.8-75.6-175.3179.4174.6-0.2115.6
495Q27.1Very low50.3Low168 Ų16890.1 Ų90.179%0.78547%0.466SS*.  trans-135.4132.1140.2-81.7-172.5-700106.8K493 N497K493-Q495 PolarHBondContact O-N 3.17Å; Q495-N497 VanDerWaalsContact C-N 3.3Å; Q495-N497 PolarHBondContact O-N 2.61Å
496V31.7Very low50.8Low144 Ų14490.1 Ų90.187%0.87347%0.467SS*.  trans-61.892.3172.4175.10000107
497N27.8Very low51.6Low129 Ų12988.1 Ų88.169%0.6946%0.456SS*.  trans-163.5101.2166.8-84.4-35.1000110.9Q495 G499Q495-N497 VanDerWaalsContact C-N 3.3Å; Q495-N497 PolarHBondContact O-N 2.61Å; N497-G499 PolarHBondContact O-N 3.42Å
498Q38.9Very low52.7Low135 Ų13586.9 Ų86.963%0.63145%0.453SS*.  trans36.671.3138.1-63.9175-100118.8
499G32.6Very low54.3Low58 Ų5884.3 Ų84.360%0.59843%0.43SS*.  trans-90110.2167.300000113.7N497 N501N497-G499 PolarHBondContact O-N 3.42Å; G499-N501 PolarHBondContact O-N 3.3Å
500L47.5Very low56.2Low74 Ų7486.9 Ų86.939%0.38745%0.446SS..SBendtrans57.720140.2-65.5163.5000121.2N486N486-L500 HydrophobicContact CB-CB 4.14Å
501N53.1Low58.3Low37 Ų3786.8 Ų86.820%0.19844%0.44CS..EExtended strand (participates in β ladder)trans-100.9144.8162-72.6-42000109Y368 N484 W485 G499 G503Y368-N501 WeakPolarHBondContact CE1-O 3.07Å; Y368-N501 PolarHBondContact OH-O 2.85Å; N484-N501 PolarHBondContact O-OD1 2.81Å; W485-N501 VanDerWaalsContact CE3-OD1 3.31Å; W485-N501 WeakPolarHBondContact CZ3-ND2 3.5Å; G499-N501 PolarHBondContact O-N 3.3Å; N501-G503 PolarHBondContact O-N 3.42Å
502L54.8Low60.2Low10 Ų1082.1 Ų82.15%0.05243%0.428CS..EExtended strand (participates in β ladder)trans-56.1-2.4173.4-89.5168.4000113.8Y368 R424 L425 N484 W504Y368-L502 WeakPolarHBondContact CD1-O 3.3Å; Y368-L502 VanDerWaalsContact CE1-C 3.4Å; R424-L502 HydrophobicContact CG-CD1 4.08Å; L425-L502 HydrophobicContact CD2-CD1 3.73Å; L425-L502 HydrophobicContact CG-CD1 4.25Å; N484-L502 HydrophobicContact CB-CD1 3.68Å; N484-L502 HydrophobicContact CB-CG 4.22Å; N484-L502 VanDerWaalsContact CG-CD1 3.45Å; L502-W504 VanDerWaalsContact O-CD1 3.27Å; L502-W504 PolarHBondContact O-N 3.2Å
503G68.9Low62.7Low4 Ų480.6 Ų80.64%0.04142%0.421CS..EExtended strand (participates in β ladder)trans68.2-6.2-17600000113.8N501 Q518 I519N501-G503 PolarHBondContact O-N 3.42Å; G503-Q518 CarbonylContact O-C 3.48Å; G503-Q518 WeakPolarHBondContact O-CA 3.18Å; G503-Q518 WeakPolarHBondContact O-CG 3.43Å; G503-I519 PolarHBondContact O-N 2.87Å
504W78.2Confident65.2Low36 Ų3675 Ų7514%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-136.1148.8-171.9-68.282.1000111.6Y368 F369 V421 L502 L516 I517 Q518Y368-W504 VanDerWaalsContact CB-NE1 3.32Å; F369-W504 HydrophobicContact CD2-CD2 4.05Å; F369-W504 AromaticContact CD2-CE2 3.31Å; F369-W504 AromaticContact CD2-CH2 3.89Å; F369-W504 HydrophobicContact CD2-CH2 3.89Å; F369-W504 AromaticContact CD2-CZ2 3.26Å; F369-W504 HydrophobicContact CD2-CZ2 3.26Å; F369-W504 HydrophobicContact CD2-CZ3 4.49Å; F369-W504 AromaticContact CD2-NE1 3.49Å; F369-W504 AromaticContact CE2-CD2 3.36Å; F369-W504 HydrophobicContact CE2-CD2 3.36Å; F369-W504 AromaticContact CE2-CE2 3.13Å; F369-W504 AromaticContact CE2-CE3 3.67Å; F369-W504 HydrophobicContact CE2-CE3 3.67Å; F369-W504 AromaticContact CE2-CG 3.97Å; F369-W504 HydrophobicContact CE2-CG 3.97Å; F369-W504 AromaticContact CE2-CH2 3.65Å; F369-W504 HydrophobicContact CE2-CH2 3.65Å; F369-W504 AromaticContact CE2-CZ2 3.33Å; F369-W504 HydrophobicContact CE2-CZ2 3.33Å; F369-W504 AromaticContact CE2-CZ3 3.8Å; F369-W504 HydrophobicContact CE2-CZ3 3.8Å; F369-W504 AromaticContact CE2-NE1 3.53Å; F369-W504 HydrophobicContact CZ-CD2 4.25Å; F369-W504 HydrophobicContact CZ-CE3 4.47Å; V421-W504 HydrophobicContact CG1-CB 4.4Å; L502-W504 VanDerWaalsContact O-CD1 3.27Å; L502-W504 PolarHBondContact O-N 3.2Å; W504-L516 HydrophobicContact CE3-CB 4.06Å; W504-L516 HydrophobicContact CZ3-CB 4.42Å; W504-I517 CarbonylContact C-O 3.56Å; W504-I517 VanDerWaalsContact CA-O 3.28Å; W504-I517 WeakPolarHBondContact CA-O 3.39Å; W504-Q518 HydrophobicContact CD2-CB 4.11Å; W504-Q518 HydrophobicContact CD2-CG 4.42Å; W504-Q518 HydrophobicContact CE3-CB 4.16Å; W504-Q518 HydrophobicContact CH2-CB 3.72Å; W504-Q518 HydrophobicContact CH2-CG 4.42Å; W504-Q518 HydrophobicContact CZ2-CB 3.63Å; W504-Q518 HydrophobicContact CZ2-CG 3.82Å; W504-Q518 HydrophobicContact CZ3-CB 3.98Å; W504-Q518 VanDerWaalsContact CZ3-N 3.28Å
505C86.6Confident67.8Low0 Ų066.9 Ų66.90%037%0.373CS..EExtended strand (participates in β ladder)trans-124.7152.6169.964.40000109.5L481 T482 L483 L516 I517 I519L481-C505 HydrophobicContact CD1-CB 4.48Å; L481-C505 HydrophobicContact CD2-CB 4.11Å; L481-C505 HydrophobicContact CG-CB 4.18Å; T482-C505 CarbonylContact O-C 3.55Å; T482-C505 WeakPolarHBondContact O-CA 3.3Å; L483-C505 HydrophobicContact CB-CB 3.83Å; L483-C505 HydrophobicContact CD2-CB 4.45Å; C505-L516 WeakPolarHBondContact O-CA 3.27Å; C505-I517 PolarHBondContact N-O 3.45Å; C505-I517 PolarHBondContact O-N 2.8Å; C505-I517 PolarHBondContact SG-O 2.9Å; C505-I519 HydrophobicContact CB-CG1 4.38Å
506K90.4Very high70.6Confident22 Ų2261 Ų6110%0.09635%0.346CS..EExtended strand (participates in β ladder)trans-100.9118.4173.4-179.6-170.7176.2-171.60107.4L425 L481 T482 D514 L516L425-K506 HydrophobicContact CB-CB 3.8Å; L425-K506 HydrophobicContact CB-CD 4.45Å; L425-K506 HydrophobicContact CD1-CB 4.01Å; L481-K506 CarbonylContact C-O 3.49Å; L481-K506 WeakPolarHBondContact CA-O 3.31Å; T482-K506 PolarHBondContact N-O 2.94Å; T482-K506 PolarHBondContact O-N 2.75Å; K506-D514 WeakPolarHBondContact CE-OD1 3.37Å; K506-D514 WeakPolarHBondContact CE-OD2 3.2Å; K506-D514 IonicContact NZ-OD1 2.76Å; K506-D514 PolarHBondContact NZ-OD1 3.44Å; K506-D514 IonicContact NZ-OD2 3.02Å; K506-D514 PolarHBondContact NZ-OD2 3.07Å; K506-L516 HydrophobicContact CB-CD2 4.1Å; K506-L516 HydrophobicContact CG-CD2 4.46Å
507L91.1Very high73.1Confident0 Ų054.7 Ų54.70%031%0.307CS..EExtended strand (participates in β ladder)trans-99.7129170.3-84.3154.7000108.8I479 T480 L481 D514 Q515 I517 Y525 Y528I479-L507 HydrophobicContact CG2-CD2 3.34Å; T480-L507 CarbonylContact O-C 3.55Å; T480-L507 VanDerWaalsContact O-CA 3.31Å; T480-L507 WeakPolarHBondContact O-CA 3.48Å; L481-L507 HydrophobicContact CB-CD2 3.86Å; L481-L507 HydrophobicContact CB-CG 4.46Å; L481-L507 HydrophobicContact CD1-CD2 4.09Å; L481-L507 HydrophobicContact CD1-CG 4.34Å; L481-L507 HydrophobicContact CG-CD2 4.2Å; L481-L507 HydrophobicContact CG-CG 4.37Å; L507-D514 CarbonylContact O-C 3.6Å; L507-D514 WeakPolarHBondContact O-CA 3.31Å; L507-Q515 PolarHBondContact N-O 2.89Å; L507-Q515 PolarHBondContact O-N 2.77Å; L507-I517 HydrophobicContact CB-CD1 4.47Å; L507-I517 HydrophobicContact CD1-CB 4.3Å; L507-I517 HydrophobicContact CD1-CD1 3.25Å; L507-I517 HydrophobicContact CD1-CG1 3.78Å; L507-I517 HydrophobicContact CG-CD1 4.42Å; L507-Y525 HydrophobicContact CD1-CD2 4.48Å; L507-Y525 HydrophobicContact CD1-CG 4.01Å; L507-Y528 HydrophobicContact CD2-CG 4.45Å
508T91.5Very high75.7Confident29 Ų2949.7 Ų49.718%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-113.3120.2172.7-55.60000107.7I479 T480 Q513 D514I479-T508 WeakPolarHBondContact CA-O 3.43Å; T480-T508 PolarHBondContact N-O 3.15Å; T480-T508 PolarHBondContact O-N 2.95Å; T480-T508 WeakPolarHBondContact OG1-CB 3.27Å; T508-Q513 CarbonylContact C-O 3.53Å; T508-Q513 WeakPolarHBondContact CA-O 3.2Å; T508-D514 WeakPolarHBondContact CB-OD1 3.45Å; T508-D514 VanDerWaalsContact CG2-OD1 3.3Å; T508-D514 WeakPolarHBondContact CG2-OD1 3.48Å; T508-D514 PolarHBondContact OG1-OD1 3.01Å
509F90.4Very high77.6Confident41 Ų4144.8 Ų44.818%0.1826%0.258CS..  trans-80.9164-179-66.9-74.6000111.5I479 D511 G512 Q513 Q515 Y525I479-F509 HydrophobicContact CD1-CD1 4.16Å; I479-F509 HydrophobicContact CD1-CE1 4.31Å; I479-F509 HydrophobicContact CG1-CD1 4.05Å; F509-D511 WeakPolarHBondContact CB-OD1 3.46Å; F509-D511 PolarHBondContact O-N 2.98Å; F509-D511 VanDerWaalsContact O-N 3.13Å; F509-G512 WeakPolarHBondContact O-CA 3.46Å; F509-G512 PolarHBondContact O-N 3.09Å; F509-Q513 HydrophobicContact CD2-CB 4.46Å; F509-Q513 WeakPolarHBondContact CD2-O 3.45Å; F509-Q513 PolarHBondContact N-O 2.91Å; F509-Q515 HydrophobicContact CE2-CB 3.79Å; F509-Y525 HydrophobicContact CE1-CD1 4.34Å; F509-Y525 AromaticContact CE1-CE1 3.53Å; F509-Y525 HydrophobicContact CE1-CE1 3.53Å; F509-Y525 AromaticContact CE1-CZ 3.9Å; F509-Y525 HydrophobicContact CZ-CD1 4.43Å; F509-Y525 AromaticContact CZ-CE1 3.59Å; F509-Y525 HydrophobicContact CZ-CE1 3.59Å; F509-Y525 HydrophobicContact CZ-CE2 4.31Å; F509-Y525 AromaticContact CZ-CZ 3.47Å; F509-Y525 VanDerWaalsContact CZ-CZ 3.47Å; F509-Y525 VanDerWaalsContact CZ-OH 3.24Å; F509-Y525 WeakPolarHBondContact CZ-OH 3.48Å
510P86.7Confident79.7Confident91 Ų9147 Ų4759%0.59125%0.253SS*.THydrogen-bonded Turntrans-60.3-21.7179.7-24.734.9000114.5D477 I479 G512D477-P510 WeakPolarHBondContact O-CG 3.29Å; I479-P510 HydrophobicContact CG1-CG 4.4Å; P510-G512 PolarHBondContact O-N 2.87Å
511D86.1Confident81.1Confident102 Ų10249.7 Ų49.755%0.54526%0.263SS..THydrogen-bonded Turntrans-80-0.9174.269.1-12.9000113.3F509 Q513F509-D511 WeakPolarHBondContact CB-OD1 3.46Å; F509-D511 PolarHBondContact O-N 2.98Å; F509-D511 VanDerWaalsContact O-N 3.13Å; D511-Q513 VanDerWaalsContact C-N 3.33Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.43Å; D511-Q513 PolarHBondContact OD1-N 2.7Å; D511-Q513 VanDerWaalsContact OD2-CD 3.27Å; D511-Q513 WeakPolarHBondContact OD2-CG 3.33Å; D511-Q513 PolarHBondContact OD2-NE2 2.81Å
512G82.1Confident82.3Confident51 Ų5148.6 Ų48.653%0.52626%0.258SS..SBendtrans83.21.5-177.800000114.4F509 P510F509-G512 WeakPolarHBondContact O-CA 3.46Å; F509-G512 PolarHBondContact O-N 3.09Å; P510-G512 PolarHBondContact O-N 2.87Å
513Q85.1Confident83.6Confident132 Ų13255.7 Ų55.762%0.61729%0.291SS*.  trans-73.6137.9176.2-68.1-172.449.600111.3T508 F509 D511T508-Q513 CarbonylContact C-O 3.53Å; T508-Q513 WeakPolarHBondContact CA-O 3.2Å; F509-Q513 HydrophobicContact CD2-CB 4.46Å; F509-Q513 WeakPolarHBondContact CD2-O 3.45Å; F509-Q513 PolarHBondContact N-O 2.91Å; D511-Q513 VanDerWaalsContact C-N 3.33Å; D511-Q513 WeakPolarHBondContact OD1-CB 3.43Å; D511-Q513 PolarHBondContact OD1-N 2.7Å; D511-Q513 VanDerWaalsContact OD2-CD 3.27Å; D511-Q513 WeakPolarHBondContact OD2-CG 3.33Å; D511-Q513 PolarHBondContact OD2-NE2 2.81Å
514D86.1Confident84.2Confident57 Ų5760.7 Ų60.731%0.30532%0.323SS..EExtended strand (participates in β ladder)trans-104.1130.8178.1-68.9-33.4000111K422 K506 L507 T508K422-D514 WeakPolarHBondContact CE-OD2 3.22Å; K422-D514 IonicContact NZ-OD2 2.7Å; K422-D514 PolarHBondContact NZ-OD2 2.77Å; K506-D514 WeakPolarHBondContact CE-OD1 3.37Å; K506-D514 WeakPolarHBondContact CE-OD2 3.2Å; K506-D514 IonicContact NZ-OD1 2.76Å; K506-D514 PolarHBondContact NZ-OD1 3.44Å; K506-D514 IonicContact NZ-OD2 3.02Å; K506-D514 PolarHBondContact NZ-OD2 3.07Å; L507-D514 CarbonylContact O-C 3.6Å; L507-D514 WeakPolarHBondContact O-CA 3.31Å; T508-D514 WeakPolarHBondContact CB-OD1 3.45Å; T508-D514 VanDerWaalsContact CG2-OD1 3.3Å; T508-D514 WeakPolarHBondContact CG2-OD1 3.48Å; T508-D514 PolarHBondContact OG1-OD1 3.01Å
515Q86.6Confident84.7Confident85 Ų8561.6 Ų61.640%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-124.5134.4172-168.8173.416.700111.2L507 F509 I517 Y525L507-Q515 PolarHBondContact N-O 2.89Å; L507-Q515 PolarHBondContact O-N 2.77Å; F509-Q515 HydrophobicContact CE2-CB 3.79Å; Q515-I517 HydrophobicContact CG-CD1 4.3Å; Q515-I517 HydrophobicContact CG-CG1 4.13Å; Q515-Y525 PolarHBondContact OE1-OH 2.82Å
516L85.7Confident84.7Confident43 Ų4366.4 Ų66.423%0.22535%0.349CS..EExtended strand (participates in β ladder)trans-89.7127.9172.2-69.3176.6000109.5F369 V421 K422 L425 W504 C505 K506F369-L516 HydrophobicContact CZ-CD1 4.16Å; V421-L516 HydrophobicContact CB-CD1 4.47Å; V421-L516 HydrophobicContact CG1-CD1 4.21Å; V421-L516 HydrophobicContact CG1-CD2 4.19Å; K422-L516 HydrophobicContact CB-CD1 4.3Å; L425-L516 HydrophobicContact CD1-CD2 3.74Å; W504-L516 HydrophobicContact CE3-CB 4.06Å; W504-L516 HydrophobicContact CZ3-CB 4.42Å; C505-L516 WeakPolarHBondContact O-CA 3.27Å; K506-L516 HydrophobicContact CB-CD2 4.1Å; K506-L516 HydrophobicContact CG-CD2 4.46Å
517I85.1Confident84.7Confident12 Ų1272.5 Ų72.56%0.06237%0.371CS..EExtended strand (participates in β ladder)trans-128.8134.1-175.4-49.1-153.4000110.8W504 C505 L507 Q515 P522 Y525W504-I517 CarbonylContact C-O 3.56Å; W504-I517 VanDerWaalsContact CA-O 3.28Å; W504-I517 WeakPolarHBondContact CA-O 3.39Å; C505-I517 PolarHBondContact N-O 3.45Å; C505-I517 PolarHBondContact O-N 2.8Å; C505-I517 PolarHBondContact SG-O 2.9Å; L507-I517 HydrophobicContact CB-CD1 4.47Å; L507-I517 HydrophobicContact CD1-CB 4.3Å; L507-I517 HydrophobicContact CD1-CD1 3.25Å; L507-I517 HydrophobicContact CD1-CG1 3.78Å; L507-I517 HydrophobicContact CG-CD1 4.42Å; Q515-I517 HydrophobicContact CG-CD1 4.3Å; Q515-I517 HydrophobicContact CG-CG1 4.13Å; I517-P522 HydrophobicContact CG2-CB 4.44Å; I517-Y525 HydrophobicContact CD1-CD2 2.99Å; I517-Y525 HydrophobicContact CD1-CE2 3.43Å; I517-Y525 VanDerWaalsContact CD1-CE2 3.43Å; I517-Y525 HydrophobicContact CD1-CG 3.67Å; I517-Y525 HydrophobicContact CG1-CD2 4.47Å
518Q81.3Confident84.7Confident24 Ų2473.9 Ų73.911%0.11238%0.377CS..EExtended strand (participates in β ladder)trans-73.7128.4178-162.5175.8-27.100109.3G503 W504 E520 H521 P522G503-Q518 CarbonylContact O-C 3.48Å; G503-Q518 WeakPolarHBondContact O-CA 3.18Å; G503-Q518 WeakPolarHBondContact O-CG 3.43Å; W504-Q518 HydrophobicContact CD2-CB 4.11Å; W504-Q518 HydrophobicContact CD2-CG 4.42Å; W504-Q518 HydrophobicContact CE3-CB 4.16Å; W504-Q518 HydrophobicContact CH2-CB 3.72Å; W504-Q518 HydrophobicContact CH2-CG 4.42Å; W504-Q518 HydrophobicContact CZ2-CB 3.63Å; W504-Q518 HydrophobicContact CZ2-CG 3.82Å; W504-Q518 HydrophobicContact CZ3-CB 3.98Å; W504-Q518 VanDerWaalsContact CZ3-N 3.28Å; Q518-E520 HydrophobicContact CG-CB 4.31Å; Q518-E520 PolarHBondContact NE2-OE2 2.93Å; Q518-E520 PolarHBondContact O-N 3.43Å; Q518-H521 PolarHBondContact NE2-ND1 2.89Å; Q518-H521 CarbonylContact O-C 3.58Å; Q518-H521 VanDerWaalsContact O-C 3.25Å; Q518-H521 PolarHBondContact O-N 3.05Å; Q518-P522 WeakPolarHBondContact O-CA 3.33Å
519I80.3Confident84.5Confident32 Ų3272.7 Ų72.716%0.16437%0.369CS..THydrogen-bonded Turntrans-63.8-32.4-178.9-64171.9000111.2L483 G503 C505 V529 T533L483-I519 HydrophobicContact CD2-CD1 4.42Å; G503-I519 PolarHBondContact O-N 2.87Å; C505-I519 HydrophobicContact CB-CG1 4.38Å; I519-V529 HydrophobicContact CB-CG1 4.33Å; I519-V529 HydrophobicContact CG1-CG1 4.37Å; I519-V529 HydrophobicContact CG2-CG1 3.92Å; I519-T533 HydrophobicContact CG2-CG2 4.07Å
520E76.3Confident84.4Confident106 Ų10673.6 Ų73.650%0.49538%0.378SS..THydrogen-bonded Turntrans-73.7-28.6179.7-64.4171173.500113.3Q518Q518-E520 HydrophobicContact CG-CB 4.31Å; Q518-E520 PolarHBondContact NE2-OE2 2.93Å; Q518-E520 PolarHBondContact O-N 3.43Å
521H76.5Confident84.6Confident129 Ų12970.8 Ų70.860%0.59736%0.359SS*.SBendtrans-133.468.5-177.9-55.889.1000109.1Q518 E523Q518-H521 PolarHBondContact NE2-ND1 2.89Å; Q518-H521 CarbonylContact O-C 3.58Å; Q518-H521 VanDerWaalsContact O-C 3.25Å; Q518-H521 PolarHBondContact O-N 3.05Å; H521-E523 VanDerWaalsContact C-N 3.3Å; H521-E523 PolarHBondContact O-N 2.86Å
522P79.4Confident84.8Confident14 Ų1465.9 Ų65.99%0.09133%0.333CS..  trans-81.8-4.3-167.933.9-37.2000114I517 Q518 Y525 E526 V529I517-P522 HydrophobicContact CG2-CB 4.44Å; Q518-P522 WeakPolarHBondContact O-CA 3.33Å; P522-Y525 CarbonylContact O-C 3.44Å; P522-Y525 WeakPolarHBondContact O-CA 3.4Å; P522-Y525 WeakPolarHBondContact O-CB 3.22Å; P522-Y525 PolarHBondContact O-N 2.99Å; P522-E526 HydrophobicContact CG-CB 3.91Å; P522-E526 HydrophobicContact CG-CG 3.91Å; P522-E526 PolarHBondContact O-N 2.81Å; P522-V529 HydrophobicContact CB-CB 3.84Å; P522-V529 HydrophobicContact CB-CG1 4.14Å; P522-V529 HydrophobicContact CB-CG2 3.69Å; P522-V529 HydrophobicContact CG-CB 4.49Å
523E80.4Confident85.1Confident159 Ų15964 Ų6474%0.74331%0.311SS*.THydrogen-bonded Turntrans-55.5130.8-176.5-65.4-177.1-178.600111.6H521H521-E523 VanDerWaalsContact C-N 3.3Å; H521-E523 PolarHBondContact O-N 2.86Å
524P82.4Confident85.2Confident110 Ų11059.4 Ų59.471%0.71429%0.294SS*.THydrogen-bonded Turncis-89.54.97.735.5-37.5000116E526P524-E526 VanDerWaalsContact C-N 3.33Å; P524-E526 PolarHBondContact O-N 3.21Å
525Y88.1Confident85.4Confident54 Ų5457.2 Ų57.221%0.21228%0.281CS..  trans-95.621.7-171-55-75.3000114L507 F509 Q515 I517 P522 R527 Y528 V529L507-Y525 HydrophobicContact CD1-CD2 4.48Å; L507-Y525 HydrophobicContact CD1-CG 4.01Å; F509-Y525 HydrophobicContact CE1-CD1 4.34Å; F509-Y525 AromaticContact CE1-CE1 3.53Å; F509-Y525 HydrophobicContact CE1-CE1 3.53Å; F509-Y525 AromaticContact CE1-CZ 3.9Å; F509-Y525 HydrophobicContact CZ-CD1 4.43Å; F509-Y525 AromaticContact CZ-CE1 3.59Å; F509-Y525 HydrophobicContact CZ-CE1 3.59Å; F509-Y525 HydrophobicContact CZ-CE2 4.31Å; F509-Y525 AromaticContact CZ-CZ 3.47Å; F509-Y525 VanDerWaalsContact CZ-CZ 3.47Å; F509-Y525 VanDerWaalsContact CZ-OH 3.24Å; F509-Y525 WeakPolarHBondContact CZ-OH 3.48Å; Q515-Y525 PolarHBondContact OE1-OH 2.82Å; I517-Y525 HydrophobicContact CD1-CD2 2.99Å; I517-Y525 HydrophobicContact CD1-CE2 3.43Å; I517-Y525 VanDerWaalsContact CD1-CE2 3.43Å; I517-Y525 HydrophobicContact CD1-CG 3.67Å; I517-Y525 HydrophobicContact CG1-CD2 4.47Å; P522-Y525 CarbonylContact O-C 3.44Å; P522-Y525 WeakPolarHBondContact O-CA 3.4Å; P522-Y525 WeakPolarHBondContact O-CB 3.22Å; P522-Y525 PolarHBondContact O-N 2.99Å; Y525-R527 PolarHBondContact O-N 3.45Å; Y525-Y528 HydrophobicContact CD1-CD2 4.16Å; Y525-Y528 HydrophobicContact CD1-CE2 4.12Å; Y525-Y528 PolarHBondContact O-N 3.17Å; Y525-V529 PolarHBondContact O-N 3.5Å
526E87.6Confident85.4Confident101 Ų10153.1 Ų53.147%0.47226%0.262SS..Hα-helixtrans-53.2-40.3-176.7-173.9178.3-171.200112.4P522 P524 Y528 V529 T530P522-E526 HydrophobicContact CG-CB 3.91Å; P522-E526 HydrophobicContact CG-CG 3.91Å; P522-E526 PolarHBondContact O-N 2.81Å; P524-E526 VanDerWaalsContact C-N 3.33Å; P524-E526 PolarHBondContact O-N 3.21Å; E526-Y528 VanDerWaalsContact C-N 3.3Å; E526-Y528 PolarHBondContact O-N 3.33Å; E526-V529 PolarHBondContact O-N 2.78Å; E526-T530 HydrophobicContact CG-CG2 3.53Å; E526-T530 VanDerWaalsContact O-CB 3.31Å; E526-T530 WeakPolarHBondContact O-CB 3.18Å; E526-T530 VanDerWaalsContact O-CG2 3.29Å; E526-T530 WeakPolarHBondContact O-CG2 3.17Å; E526-T530 PolarHBondContact O-N 2.92Å; E526-T530 PolarHBondContact O-OG1 2.82Å
527R89.8Confident85.5Confident150 Ų15058 Ų5857%0.56628%0.278SS*.Hα-helixtrans-52.3-46.6177.6-178.5-176.2176.1-155.6-1.6112.3Y525 T530 T531Y525-R527 PolarHBondContact O-N 3.45Å; R527-T530 PolarHBondContact O-OG1 3.04Å; R527-T531 VanDerWaalsContact O-CB 3.26Å; R527-T531 WeakPolarHBondContact O-CB 3.39Å; R527-T531 PolarHBondContact O-N 2.91Å; R527-T531 PolarHBondContact O-OG1 2.94Å
528Y90.4Very high85.4Confident30 Ų3062.9 Ų62.912%0.11830%0.295CS..Hα-helixtrans-70.4-48.8-177.6-55.7-70.4000110.8F475 D477 I479 L507 Y525 E526 T531 V532F475-Y528 HydrophobicContact CB-CD1 4.39Å; F475-Y528 HydrophobicContact CB-CE1 4.25Å; F475-Y528 AromaticContact CD1-CD1 3.73Å; F475-Y528 HydrophobicContact CD1-CD1 3.73Å; F475-Y528 HydrophobicContact CD1-CE1 4.15Å; F475-Y528 AromaticContact CD2-CD1 3.6Å; F475-Y528 HydrophobicContact CD2-CD1 3.6Å; F475-Y528 HydrophobicContact CD2-CE1 4.27Å; F475-Y528 HydrophobicContact CD2-CG 4.5Å; F475-Y528 AromaticContact CE1-CD1 3.77Å; F475-Y528 HydrophobicContact CE1-CD1 3.77Å; F475-Y528 AromaticContact CE2-CD1 3.65Å; F475-Y528 HydrophobicContact CE2-CD1 3.65Å; F475-Y528 HydrophobicContact CE2-CG 4.22Å; F475-Y528 AromaticContact CG-CD1 3.64Å; F475-Y528 HydrophobicContact CG-CD1 3.64Å; F475-Y528 AromaticContact CG-CE1 3.97Å; F475-Y528 HydrophobicContact CG-CE1 3.97Å; F475-Y528 AromaticContact CZ-CD1 3.72Å; F475-Y528 HydrophobicContact CZ-CD1 3.72Å; F475-Y528 HydrophobicContact CZ-CG 4.29Å; D477-Y528 VanDerWaalsContact OD2-CE1 3.28Å; D477-Y528 WeakPolarHBondContact OD2-CE1 3.43Å; D477-Y528 PolarHBondContact OD2-OH 3.05Å; I479-Y528 HydrophobicContact CB-CE1 4.32Å; I479-Y528 HydrophobicContact CD1-CE1 4.14Å; I479-Y528 HydrophobicContact CD1-CE2 3.83Å; I479-Y528 VanDerWaalsContact CD1-CZ 3.48Å; I479-Y528 VanDerWaalsContact CD1-OH 3.29Å; I479-Y528 WeakPolarHBondContact CD1-OH 3.5Å; I479-Y528 HydrophobicContact CG2-CD1 4.4Å; I479-Y528 HydrophobicContact CG2-CE1 4.4Å; L507-Y528 HydrophobicContact CD2-CG 4.45Å; Y525-Y528 HydrophobicContact CD1-CD2 4.16Å; Y525-Y528 HydrophobicContact CD1-CE2 4.12Å; Y525-Y528 PolarHBondContact O-N 3.17Å; E526-Y528 VanDerWaalsContact C-N 3.3Å; E526-Y528 PolarHBondContact O-N 3.33Å; Y528-T531 PolarHBondContact O-N 3.39Å; Y528-V532 WeakPolarHBondContact O-CG2 3.33Å; Y528-V532 PolarHBondContact O-N 3.1Å; Y528-V532 VanDerWaalsContact O-N 3.12Å
529V88.8Confident85.4Confident3 Ų363.3 Ų63.32%0.01830%0.298CS..Hα-helixtrans-65.1-46.6-176.2-178.70000111.5L481 I519 P522 Y525 E526 T531 V532 T533L481-V529 HydrophobicContact CD1-CG2 4Å; I519-V529 HydrophobicContact CB-CG1 4.33Å; I519-V529 HydrophobicContact CG1-CG1 4.37Å; I519-V529 HydrophobicContact CG2-CG1 3.92Å; P522-V529 HydrophobicContact CB-CB 3.84Å; P522-V529 HydrophobicContact CB-CG1 4.14Å; P522-V529 HydrophobicContact CB-CG2 3.69Å; P522-V529 HydrophobicContact CG-CB 4.49Å; Y525-V529 PolarHBondContact O-N 3.5Å; E526-V529 PolarHBondContact O-N 2.78Å; V529-T531 VanDerWaalsContact C-N 3.34Å; V529-T531 PolarHBondContact O-N 3.48Å; V529-V532 PolarHBondContact O-N 3.41Å; V529-T533 HydrophobicContact CG1-CG2 4.22Å; V529-T533 WeakPolarHBondContact O-CB 3.49Å; V529-T533 VanDerWaalsContact O-CG2 3.25Å; V529-T533 WeakPolarHBondContact O-CG2 3.48Å; V529-T533 PolarHBondContact O-N 3.5Å; V529-T533 PolarHBondContact O-OG1 2.72Å
530T88.6Confident84.9Confident60 Ų6064.9 Ų64.937%0.36830%0.304SS..Hα-helixtrans-64.1-39.4178.754.90000111.8E526 R527 T533 S534E526-T530 HydrophobicContact CG-CG2 3.53Å; E526-T530 VanDerWaalsContact O-CB 3.31Å; E526-T530 WeakPolarHBondContact O-CB 3.18Å; E526-T530 VanDerWaalsContact O-CG2 3.29Å; E526-T530 WeakPolarHBondContact O-CG2 3.17Å; E526-T530 PolarHBondContact O-N 2.92Å; E526-T530 PolarHBondContact O-OG1 2.82Å; R527-T530 PolarHBondContact O-OG1 3.04Å; T530-T533 WeakPolarHBondContact CA-OG1 3.36Å; T530-T533 PolarHBondContact O-OG1 2.84Å; T530-S534 WeakPolarHBondContact O-CB 3.46Å; T530-S534 PolarHBondContact O-N 3.36Å; T530-S534 PolarHBondContact O-OG 3.02Å
531T90Very high84.4Confident32 Ų3266.8 Ų66.820%0.19631%0.313CS..Hα-helixtrans-61.6-50.4177.5-59.80000111.2V460 F463 F475 R527 Y528 V529 S534 W535V460-T531 HydrophobicContact CG1-CG2 3.75Å; F463-T531 HydrophobicContact CE1-CG2 4.15Å; F463-T531 HydrophobicContact CZ-CG2 3.78Å; F475-T531 HydrophobicContact CE1-CG2 4.26Å; R527-T531 VanDerWaalsContact O-CB 3.26Å; R527-T531 WeakPolarHBondContact O-CB 3.39Å; R527-T531 PolarHBondContact O-N 2.91Å; R527-T531 PolarHBondContact O-OG1 2.94Å; Y528-T531 PolarHBondContact O-N 3.39Å; V529-T531 VanDerWaalsContact C-N 3.34Å; V529-T531 PolarHBondContact O-N 3.48Å; T531-S534 PolarHBondContact O-N 3.11Å; T531-S534 PolarHBondContact O-OG 3.49Å; T531-W535 PolarHBondContact O-N 2.51Å
532V89.8Confident83.6Confident0 Ų066.1 Ų66.10%032%0.318CS..Hα-helixtrans-64.4-49.3179-178.50000111.5F463 V471 A473 F475 L481 L483 Y528 V529 S534 W535 C536F463-V532 HydrophobicContact CD1-CG2 4.28Å; F463-V532 HydrophobicContact CE1-CB 4.24Å; F463-V532 HydrophobicContact CE1-CG2 3.62Å; F463-V532 HydrophobicContact CZ-CG2 4.43Å; V471-V532 HydrophobicContact CG1-CG1 3.62Å; A473-V532 HydrophobicContact CB-CG2 3.57Å; F475-V532 HydrophobicContact CE2-CG2 4.19Å; F475-V532 HydrophobicContact CZ-CG2 3.82Å; L481-V532 HydrophobicContact CB-CG2 4.45Å; L481-V532 HydrophobicContact CD1-CG2 4.1Å; L481-V532 HydrophobicContact CD2-CB 4.19Å; L481-V532 HydrophobicContact CD2-CG1 4.04Å; L481-V532 HydrophobicContact CD2-CG2 3.86Å; L481-V532 HydrophobicContact CG-CG2 4.35Å; L483-V532 HydrophobicContact CD2-CB 4.42Å; L483-V532 HydrophobicContact CD2-CG1 3.8Å; L483-V532 HydrophobicContact CG-CG1 4.24Å; Y528-V532 WeakPolarHBondContact O-CG2 3.33Å; Y528-V532 PolarHBondContact O-N 3.1Å; Y528-V532 VanDerWaalsContact O-N 3.12Å; V529-V532 PolarHBondContact O-N 3.41Å; V532-S534 VanDerWaalsContact C-N 3.29Å; V532-S534 PolarHBondContact O-N 3.47Å; V532-W535 WeakPolarHBondContact O-CB 3.42Å; V532-W535 PolarHBondContact O-N 3Å; V532-W535 VanDerWaalsContact O-N 3.07Å; V532-C536 PolarHBondContact O-N 2.77Å; V532-C536 PolarHBondContact O-SG 2.95Å
533T88.4Confident82.3Confident11 Ų1169.1 Ų69.17%0.06734%0.339CS..Hα-helixtrans-62.9-35.8-179.6550000112.1L483 W485 I519 V529 T530 C536 R537L483-T533 HydrophobicContact CD2-CG2 4.32Å; W485-T533 HydrophobicContact CZ3-CG2 3.88Å; I519-T533 HydrophobicContact CG2-CG2 4.07Å; V529-T533 HydrophobicContact CG1-CG2 4.22Å; V529-T533 WeakPolarHBondContact O-CB 3.49Å; V529-T533 VanDerWaalsContact O-CG2 3.25Å; V529-T533 WeakPolarHBondContact O-CG2 3.48Å; V529-T533 PolarHBondContact O-N 3.5Å; V529-T533 PolarHBondContact O-OG1 2.72Å; T530-T533 WeakPolarHBondContact CA-OG1 3.36Å; T530-T533 PolarHBondContact O-OG1 2.84Å; T533-C536 PolarHBondContact O-N 2.93Å; T533-R537 VanDerWaalsContact O-CG 3.28Å; T533-R537 WeakPolarHBondContact O-CG 3.47Å; T533-R537 PolarHBondContact O-N 2.57Å
534S87.6Confident80.6Confident36 Ų3666.5 Ų66.525%0.25234%0.336SS..Hα-helixtrans-65.2-39.4173.280.60000112.2T530 T531 V532 R537 R538T530-S534 WeakPolarHBondContact O-CB 3.46Å; T530-S534 PolarHBondContact O-N 3.36Å; T530-S534 PolarHBondContact O-OG 3.02Å; T531-S534 PolarHBondContact O-N 3.11Å; T531-S534 PolarHBondContact O-OG 3.49Å; V532-S534 VanDerWaalsContact C-N 3.29Å; V532-S534 PolarHBondContact O-N 3.47Å; S534-R537 PolarHBondContact O-N 3.27Å; S534-R538 WeakPolarHBondContact O-CG 3.39Å; S534-R538 PolarHBondContact O-N 2.79Å; S534-R538 PolarHBondContact OG-NH1 3.03Å; S534-R538 PolarHBondContact OG-NH2 3.04Å
535W89.9Confident78.9Confident10 Ų1072.6 Ų72.64%0.03835%0.345CS..Hα-helixtrans-64.8-46.7176.1175.482.1000111.3K453 S455 F463 A465 V471 T531 V532 R537 R538 L539K453-W535 HydrophobicContact CG-CZ2 4.46Å; S455-W535 VanDerWaalsContact CB-NE1 3.27Å; S455-W535 PolarHBondContact OG-NE1 3.39Å; S455-W535 VanDerWaalsContact OG-NE1 3.13Å; F463-W535 HydrophobicContact CB-CD2 3.99Å; F463-W535 HydrophobicContact CB-CE3 4.26Å; F463-W535 HydrophobicContact CB-CH2 3.95Å; F463-W535 HydrophobicContact CB-CZ2 3.64Å; F463-W535 HydrophobicContact CB-CZ3 4.28Å; F463-W535 HydrophobicContact CD1-CB 4.25Å; F463-W535 AromaticContact CD1-CD2 3.94Å; F463-W535 HydrophobicContact CD1-CD2 3.94Å; F463-W535 HydrophobicContact CD1-CE3 4.09Å; F463-W535 HydrophobicContact CD1-CG 4.05Å; F463-W535 HydrophobicContact CE1-CB 4.49Å; F463-W535 HydrophobicContact CG-CD2 4.31Å; A465-W535 HydrophobicContact CB-CH2 3.86Å; A465-W535 HydrophobicContact CB-CZ3 4.23Å; V471-W535 HydrophobicContact CG1-CE3 4.08Å; V471-W535 HydrophobicContact CG1-CZ3 3.57Å; V471-W535 HydrophobicContact CG2-CZ3 4.26Å; T531-W535 PolarHBondContact O-N 2.51Å; V532-W535 WeakPolarHBondContact O-CB 3.42Å; V532-W535 PolarHBondContact O-N 3Å; V532-W535 VanDerWaalsContact O-N 3.07Å; W535-R537 VanDerWaalsContact C-N 3.32Å; W535-R537 PolarHBondContact O-N 3.04Å; W535-R538 PolarHBondContact O-N 3.44Å; W535-R538 VanDerWaalsContact O-N 3.14Å; W535-L539 HydrophobicContact CD2-CD1 3.88Å; W535-L539 HydrophobicContact CD2-CG 4.29Å; W535-L539 HydrophobicContact CE3-CD1 3.86Å; W535-L539 HydrophobicContact CH2-CD1 3.42Å; W535-L539 VanDerWaalsContact CH2-CD1 3.42Å; W535-L539 HydrophobicContact CZ2-CD1 3.43Å; W535-L539 VanDerWaalsContact CZ2-CD1 3.43Å; W535-L539 HydrophobicContact CZ2-CG 4.28Å; W535-L539 HydrophobicContact CZ3-CD1 3.61Å; W535-L539 PolarHBondContact O-N 3.23Å
536C87.1Confident76.2Confident0 Ų078.9 Ų78.90%038%0.376CS..Hα-helixtrans-58.8-42.6175.8-59.40000112.3W485 F487 V532 T533 R538 L539 F540W485-C536 HydrophobicContact CD2-CB 3.47Å; W485-C536 VanDerWaalsContact CD2-CB 3.47Å; W485-C536 VanDerWaalsContact CE2-CB 3.43Å; W485-C536 HydrophobicContact CE3-CB 4.02Å; W485-C536 HydrophobicContact CG-CB 3.72Å; W485-C536 HydrophobicContact CH2-CB 4.41Å; W485-C536 HydrophobicContact CZ2-CB 3.93Å; W485-C536 HydrophobicContact CZ3-CB 4.45Å; F487-C536 HydrophobicContact CE1-CB 4.41Å; V532-C536 PolarHBondContact O-N 2.77Å; V532-C536 PolarHBondContact O-SG 2.95Å; T533-C536 PolarHBondContact O-N 2.93Å; C536-R538 PolarHBondContact O-N 2.96Å; C536-L539 PolarHBondContact O-N 2.9Å; C536-F540 PolarHBondContact O-N 2.83Å; C536-F540 VanDerWaalsContact O-N 3.09Å
537R86.8Confident73.4Confident144 Ų14481.9 Ų81.954%0.54339%0.392SS..Hα-helixtrans-62.7-40.7175.9-72.7173.5-173.1162.44.6112.3W485 T533 S534 W535 F540 Q541W485-R537 HydrophobicContact CH2-CG 4.01Å; W485-R537 HydrophobicContact CZ2-CG 3.82Å; T533-R537 VanDerWaalsContact O-CG 3.28Å; T533-R537 WeakPolarHBondContact O-CG 3.47Å; T533-R537 PolarHBondContact O-N 2.57Å; S534-R537 PolarHBondContact O-N 3.27Å; W535-R537 VanDerWaalsContact C-N 3.32Å; W535-R537 PolarHBondContact O-N 3.04Å; R537-F540 PolarHBondContact O-N 2.85Å; R537-Q541 WeakPolarHBondContact O-CG 3.43Å; R537-Q541 PolarHBondContact O-N 2.79Å
538R84.7Confident70.5Confident116 Ų11679.9 Ų79.944%0.43840%0.399SS..Hα-helixtrans-65.5-40.9176.2-75.2-171-62.8-85.9-0.2112.1S534 W535 C536 F540 Q541 T542S534-R538 WeakPolarHBondContact O-CG 3.39Å; S534-R538 PolarHBondContact O-N 2.79Å; S534-R538 PolarHBondContact OG-NH1 3.03Å; S534-R538 PolarHBondContact OG-NH2 3.04Å; W535-R538 PolarHBondContact O-N 3.44Å; W535-R538 VanDerWaalsContact O-N 3.14Å; C536-R538 PolarHBondContact O-N 2.96Å; R538-F540 VanDerWaalsContact C-N 3.28Å; R538-F540 PolarHBondContact O-N 2.88Å; R538-Q541 PolarHBondContact O-N 3.48Å; R538-T542 WeakPolarHBondContact O-CG2 3.2Å; R538-T542 PolarHBondContact O-N 2.89Å; R538-T542 VanDerWaalsContact O-N 3.11Å; R538-T542 PolarHBondContact O-OG1 3.42Å
539L80.6Confident67.6Low32 Ų3284.2 Ų84.217%0.16843%0.428CS..Hα-helixtrans-58.7-42.1174.3-73.5-177.9000111.7K453 F487 W535 C536 T542 S543K453-L539 HydrophobicContact CB-CD1 4.48Å; K453-L539 HydrophobicContact CD-CD2 4.46Å; K453-L539 HydrophobicContact CG-CD1 4.22Å; K453-L539 HydrophobicContact CG-CD2 3.82Å; F487-L539 HydrophobicContact CE1-CB 4.42Å; F487-L539 HydrophobicContact CE1-CD1 4.43Å; W535-L539 HydrophobicContact CD2-CD1 3.88Å; W535-L539 HydrophobicContact CD2-CG 4.29Å; W535-L539 HydrophobicContact CE3-CD1 3.86Å; W535-L539 HydrophobicContact CH2-CD1 3.42Å; W535-L539 VanDerWaalsContact CH2-CD1 3.42Å; W535-L539 HydrophobicContact CZ2-CD1 3.43Å; W535-L539 VanDerWaalsContact CZ2-CD1 3.43Å; W535-L539 HydrophobicContact CZ2-CG 4.28Å; W535-L539 HydrophobicContact CZ3-CD1 3.61Å; W535-L539 PolarHBondContact O-N 3.23Å; C536-L539 PolarHBondContact O-N 2.9Å; L539-T542 PolarHBondContact O-OG1 3.08Å; L539-S543 PolarHBondContact O-N 3.07Å; L539-S543 PolarHBondContact O-OG 2.8Å
540F69.6Low65.3Low66 Ų6693.1 Ų93.129%0.28947%0.47SS..Hα-helixtrans-68.3-39.4178.3-170.9-94.6000113.2F487 S489 C536 R537 R538 T542 S543F487-F540 WeakPolarHBondContact O-CE2 3.09Å; S489-F540 WeakPolarHBondContact O-CZ 3.42Å; C536-F540 PolarHBondContact O-N 2.83Å; C536-F540 VanDerWaalsContact O-N 3.09Å; R537-F540 PolarHBondContact O-N 2.85Å; R538-F540 VanDerWaalsContact C-N 3.28Å; R538-F540 PolarHBondContact O-N 2.88Å; F540-T542 VanDerWaalsContact C-N 3.31Å; F540-T542 PolarHBondContact O-N 3.06Å; F540-S543 PolarHBondContact O-N 3.36Å; F540-S543 PolarHBondContact O-OG 2.6Å
541Q66.1Low62.3Low146 Ų14694.8 Ų94.868%0.68248%0.483SS*.Hα-helixtrans-71.3-25.3179.7-73.3173.85.700113.6R537 R538R537-Q541 WeakPolarHBondContact O-CG 3.43Å; R537-Q541 PolarHBondContact O-N 2.79Å; R538-Q541 PolarHBondContact O-N 3.48Å
542T58.9Low59.9Low114 Ų11499.5 Ų99.570%0.69952%0.518SS*.THydrogen-bonded Turntrans-90-2.717948.70000113.2R538 L539 F540 P544R538-T542 WeakPolarHBondContact O-CG2 3.2Å; R538-T542 PolarHBondContact O-N 2.89Å; R538-T542 VanDerWaalsContact O-N 3.11Å; R538-T542 PolarHBondContact O-OG1 3.42Å; L539-T542 PolarHBondContact O-OG1 3.08Å; F540-T542 VanDerWaalsContact C-N 3.31Å; F540-T542 PolarHBondContact O-N 3.06Å; T542-P544 WeakPolarHBondContact O-CD 3.46Å
543S53.5Low57Low77 Ų77104.2 Ų104.254%0.53855%0.551SS.*  trans-109.140.6179.574.70000115.9L539 F540 R545L539-S543 PolarHBondContact O-N 3.07Å; L539-S543 PolarHBondContact O-OG 2.8Å; F540-S543 PolarHBondContact O-N 3.36Å; F540-S543 PolarHBondContact O-OG 2.6Å; S543-R545 PolarHBondContact O-N 3.21Å
544P43.5Very low54.5Low105 Ų105109.7 Ų109.768%0.68259%0.59SS**SBendtrans-74.594.7172.331-28.6000109.5T542 E546T542-P544 WeakPolarHBondContact O-CD 3.46Å; P544-E546 PolarHBondContact O-N 3.46Å
545R46.8Very low51.7Low238 Ų238114 Ų11490%0.89861%0.614SS**  trans51.964.8154.9-155.5-174.8-165.6-172.84.1115.6S543S543-R545 PolarHBondContact O-N 3.21Å
546E30.9Very low48.9Very low186 Ų186120.6 Ų120.687%0.86965%0.649SS**  trans-99.897.1145-79.4-175.7167.600107.8P544 P548P544-E546 PolarHBondContact O-N 3.46Å; E546-P548 WeakPolarHBondContact O-CD 3.45Å
547M28.8Very low46.1Very low163 Ų163127.9 Ų127.980%0.80368%0.683SS**  trans-60.7120.4148.6-96.2-86.2179.200105.5T549M547-T549 PolarHBondContact O-N 3.33Å
548P28.8Very low43.7Very low109 Ų109128.8 Ų128.871%0.70869%0.693SS**  trans-72.884.8170.528.8-28.6000107.5E546 H550E546-P548 WeakPolarHBondContact O-CD 3.45Å; P548-H550 VanDerWaalsContact C-N 3.26Å; P548-H550 PolarHBondContact O-N 2.95Å
549T29.5Very low41.3Very low120 Ų120128.4 Ų128.474%0.73670%0.7SS**  trans-64.698.7150.7-18.50000104.9M547 S551M547-T549 PolarHBondContact O-N 3.33Å; T549-S551 PolarHBondContact O-N 3.33Å; T549-S551 VanDerWaalsContact O-N 3.11Å
550H40.7Very low39.6Very low191 Ų191136.8 Ų136.888%0.88473%0.73SS**SBendtrans19.381.5166.5-62.7-71.9000115.5P548P548-H550 VanDerWaalsContact C-N 3.26Å; P548-H550 PolarHBondContact O-N 2.95Å
551S25.3Very low38.5Very low94 Ų94136.5 Ų136.566%0.65774%0.736SS**  trans-116.1102.1159.547.80000107.6T549 S553T549-S551 PolarHBondContact O-N 3.33Å; T549-S551 VanDerWaalsContact O-N 3.11Å; S551-S553 PolarHBondContact O-N 2.83Å
552S40.2Very low37.8Very low131 Ų131134.9 Ų134.992%0.91674%0.736SS**  trans-56.696168.848.30000109.6
553S28.3Very low37.6Very low99 Ų99132.4 Ų132.469%0.69273%0.727SS**  trans-109.5119.5157.171.10000107.7S551 V555S551-S553 PolarHBondContact O-N 2.83Å; S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 2.76Å
554S35.9Very low37.7Very low127 Ų127130.9 Ų130.989%0.88872%0.717SS**  trans-67.184.8-179.254.10000110.1
555V30.1Very low38.6Very low125 Ų125130 Ų13076%0.75870%0.703SS**  trans-84.9118.5152.9-179.60000105.1S553 Q557S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 2.76Å; V555-Q557 PolarHBondContact O-N 2.79Å
556L29.6Very low39.5Very low149 Ų149123.4 Ų123.478%0.7869%0.685SS**  trans-47.2111.3173.1-125.897000107.4E558L556-E558 PolarHBondContact O-N 3.27Å
557Q29.9Very low41.4Very low153 Ų153119.2 Ų119.272%0.71567%0.666SS**  trans-63.688.2163.9-176.7178.2-7.600105.2V555 N559V555-Q557 PolarHBondContact O-N 2.79Å; Q557-N559 WeakPolarHBondContact CG-OD1 3.41Å; Q557-N559 PolarHBondContact NE2-OD1 3.36Å; Q557-N559 PolarHBondContact O-N 2.58Å
558E34.8Very low43.6Very low163 Ų163116.1 Ų116.176%0.76265%0.648SS**  trans-65.579.9160-76.2-178.1172.200105.8L556 W560L556-E558 PolarHBondContact O-N 3.27Å; E558-W560 PolarHBondContact O-N 3.31Å
559N34.5Very low45.8Very low109 Ų109115.2 Ų115.258%0.58364%0.636SS**  trans-47.8113.9157.1-71.2-45.8000105Q557 S561Q557-N559 WeakPolarHBondContact CG-OD1 3.41Å; Q557-N559 PolarHBondContact NE2-OD1 3.36Å; Q557-N559 PolarHBondContact O-N 2.58Å; N559-S561 PolarHBondContact O-N 2.71Å
560W45.6Very low47.7Very low208 Ų208116 Ų11679%0.78863%0.631SS**  trans-51.593.6165.3-73.679.1000106.3E558 V562E558-W560 PolarHBondContact O-N 3.31Å; W560-V562 PolarHBondContact O-N 3.49Å
561S47.6Very low49.4Very low60 Ų60112.4 Ų112.442%0.4261%0.613SS.*  trans-69.9137.9-171.261.20000105.9N559 A563 S564N559-S561 PolarHBondContact O-N 2.71Å; S561-A563 PolarHBondContact O-N 2.71Å; S561-S564 PolarHBondContact O-N 3.27Å; S561-S564 PolarHBondContact OG-N 3.16Å
562V51.2Low51.6Low111 Ų111114 Ų11467%0.67361%0.609SS**Hα-helixtrans-45-28167.1175.50000110.5W560 E565 L566W560-V562 PolarHBondContact O-N 3.49Å; V562-E565 PolarHBondContact O-N 3.37Å; V562-L566 HydrophobicContact CG1-CD1 3.78Å; V562-L566 HydrophobicContact CG1-CG 4.06Å; V562-L566 VanDerWaalsContact O-CB 3.27Å; V562-L566 WeakPolarHBondContact O-CB 3.14Å; V562-L566 WeakPolarHBondContact O-CG 3.39Å; V562-L566 PolarHBondContact O-N 2.96Å
563A53.2Low53.1Low63 Ų63111.5 Ų111.552%0.52159%0.585SS.*Hα-helixtrans-60.7-42.3172.900000114.5S561 L566 E567S561-A563 PolarHBondContact O-N 2.71Å; A563-L566 PolarHBondContact O-N 3.21Å; A563-E567 WeakPolarHBondContact O-CB 3.41Å; A563-E567 PolarHBondContact O-N 2.87Å
564S57.3Low55.2Low45 Ų45111.5 Ų111.532%0.31558%0.576SS.*Hα-helixtrans-68.9-38.1178.3-177.10000112S561 E567 K568S561-S564 PolarHBondContact O-N 3.27Å; S561-S564 PolarHBondContact OG-N 3.16Å; S564-E567 PolarHBondContact O-N 2.81Å; S564-K568 WeakPolarHBondContact O-CG 3.5Å; S564-K568 PolarHBondContact O-N 3.21Å
565E61.6Low57Low86 Ų86111.1 Ų111.140%0.40256%0.564SS.*Hα-helixtrans-71-38.8173.8-72.2-59.3136.800112.1V562 E567 K568 I569V562-E565 PolarHBondContact O-N 3.37Å; E565-E567 VanDerWaalsContact C-N 3.31Å; E565-E567 PolarHBondContact O-N 3.1Å; E565-K568 WeakPolarHBondContact O-CB 3.33Å; E565-K568 PolarHBondContact O-N 2.66Å; E565-K568 IonicContact OE1-NZ 2.71Å; E565-K568 PolarHBondContact OE1-NZ 3.21Å; E565-I569 WeakPolarHBondContact O-CG1 3.14Å; E565-I569 PolarHBondContact O-N 3.1Å
566L66Low58.8Low100 Ų100108 Ų10852%0.52454%0.542SS..Hα-helixtrans-63.3-37.6171.8-76173.6000111.6V562 A563 K568 I569 Q570V562-L566 HydrophobicContact CG1-CD1 3.78Å; V562-L566 HydrophobicContact CG1-CG 4.06Å; V562-L566 VanDerWaalsContact O-CB 3.27Å; V562-L566 WeakPolarHBondContact O-CB 3.14Å; V562-L566 WeakPolarHBondContact O-CG 3.39Å; V562-L566 PolarHBondContact O-N 2.96Å; A563-L566 PolarHBondContact O-N 3.21Å; L566-K568 VanDerWaalsContact C-N 3.35Å; L566-I569 PolarHBondContact O-N 2.87Å; L566-Q570 VanDerWaalsContact O-CB 3.27Å; L566-Q570 WeakPolarHBondContact O-CB 3.15Å; L566-Q570 PolarHBondContact O-N 3.18Å
567E70Confident60.6Low98 Ų98106.9 Ų106.946%0.45853%0.533SS..Hα-helixtrans-69.1-34.1177.5-147.8-167.9-13400111.8A563 S564 E565 Q570 K571A563-E567 WeakPolarHBondContact O-CB 3.41Å; A563-E567 PolarHBondContact O-N 2.87Å; S564-E567 PolarHBondContact O-N 2.81Å; E565-E567 VanDerWaalsContact C-N 3.31Å; E565-E567 PolarHBondContact O-N 3.1Å; E567-Q570 PolarHBondContact O-N 3.44Å; E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 VanDerWaalsContact O-CG 3.25Å; E567-K571 WeakPolarHBondContact O-CG 3.28Å; E567-K571 PolarHBondContact O-N 2.86Å; E567-K571 IonicContact OE2-NZ 2.75Å; E567-K571 PolarHBondContact OE2-NZ 3.19Å
568K75.8Confident62.3Low98 Ų98105.6 Ų105.643%0.42653%0.532SS..Hα-helixtrans-64.6-45.4170.1-72.7175.3-169.4169.90111.6S564 E565 L566 Q570 K571 F572S564-K568 WeakPolarHBondContact O-CG 3.5Å; S564-K568 PolarHBondContact O-N 3.21Å; E565-K568 WeakPolarHBondContact O-CB 3.33Å; E565-K568 PolarHBondContact O-N 2.66Å; E565-K568 IonicContact OE1-NZ 2.71Å; E565-K568 PolarHBondContact OE1-NZ 3.21Å; L566-K568 VanDerWaalsContact C-N 3.35Å; K568-Q570 VanDerWaalsContact C-N 3.28Å; K568-Q570 PolarHBondContact O-N 3.3Å; K568-K571 PolarHBondContact O-N 3.12Å; K568-F572 VanDerWaalsContact O-CB 3.31Å; K568-F572 WeakPolarHBondContact O-CB 3.5Å; K568-F572 PolarHBondContact O-N 3.29Å
569I74.3Confident63.7Low90 Ų90100.6 Ų100.646%0.46252%0.515SS..Hα-helixtrans-62.4-39.7176.2-67.1165.6000110.2E565 L566 F572 N573E565-I569 WeakPolarHBondContact O-CG1 3.14Å; E565-I569 PolarHBondContact O-N 3.1Å; L566-I569 PolarHBondContact O-N 2.87Å; I569-F572 PolarHBondContact O-N 3.29Å; I569-N573 WeakPolarHBondContact O-CB 3.18Å; I569-N573 PolarHBondContact O-N 3.18Å; I569-N573 PolarHBondContact O-ND2 2.83Å
570Q70Confident64.8Low135 Ų13596.9 Ų96.963%0.63150%0.502SS*.Hα-helixtrans-68.2-41.4178.5-156.4173.517.600111.8L566 E567 K568 F572 N573 L574L566-Q570 VanDerWaalsContact O-CB 3.27Å; L566-Q570 WeakPolarHBondContact O-CB 3.15Å; L566-Q570 PolarHBondContact O-N 3.18Å; E567-Q570 PolarHBondContact O-N 3.44Å; K568-Q570 VanDerWaalsContact C-N 3.28Å; K568-Q570 PolarHBondContact O-N 3.3Å; Q570-F572 VanDerWaalsContact C-N 3.35Å; Q570-N573 PolarHBondContact O-N 2.95Å; Q570-L574 VanDerWaalsContact O-CB 3.31Å; Q570-L574 WeakPolarHBondContact O-CB 3.27Å; Q570-L574 PolarHBondContact O-N 2.54Å
571K76.1Confident65.4Low116 Ų11692 Ų9250%0.50449%0.49SS..Hα-helixtrans-65.5-36.8172.7-75.5166.1177.9162.20112E567 K568 L574 L575E567-K571 WeakPolarHBondContact O-CB 3.46Å; E567-K571 VanDerWaalsContact O-CG 3.25Å; E567-K571 WeakPolarHBondContact O-CG 3.28Å; E567-K571 PolarHBondContact O-N 2.86Å; E567-K571 IonicContact OE2-NZ 2.75Å; E567-K571 PolarHBondContact OE2-NZ 3.19Å; K568-K571 PolarHBondContact O-N 3.12Å; K571-L574 PolarHBondContact O-N 2.84Å; K571-L575 WeakPolarHBondContact O-CB 3.36Å; K571-L575 WeakPolarHBondContact O-CG 3.26Å; K571-L575 PolarHBondContact O-N 2.81Å
572F72.7Confident65.6Low129 Ų12994.1 Ų94.157%0.56650%0.496SS*.Hα-helixtrans-67.6-42.9175.1-176-105000112K568 I569 Q570 L575 L576K568-F572 VanDerWaalsContact O-CB 3.31Å; K568-F572 WeakPolarHBondContact O-CB 3.5Å; K568-F572 PolarHBondContact O-N 3.29Å; I569-F572 PolarHBondContact O-N 3.29Å; Q570-F572 VanDerWaalsContact C-N 3.35Å; F572-L575 WeakPolarHBondContact O-CB 3.36Å; F572-L575 PolarHBondContact O-N 2.92Å; F572-L576 HydrophobicContact CD1-CD1 3.64Å; F572-L576 HydrophobicContact CE1-CD1 3.25Å; F572-L576 HydrophobicContact CE1-CG 4.41Å; F572-L576 HydrophobicContact CG-CD1 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.81Å; F572-L576 WeakPolarHBondContact O-CB 3.43Å; F572-L576 PolarHBondContact O-N 3Å
573N70.6Confident65.5Low77 Ų7793.5 Ų93.541%0.41249%0.489SS..Hα-helixtrans-65.1-40.5174.4-70.3-18.2000111.5I569 Q570 L575 L576 E577I569-N573 WeakPolarHBondContact O-CB 3.18Å; I569-N573 PolarHBondContact O-N 3.18Å; I569-N573 PolarHBondContact O-ND2 2.83Å; Q570-N573 PolarHBondContact O-N 2.95Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 2.93Å; N573-L576 WeakPolarHBondContact O-CB 3.25Å; N573-L576 PolarHBondContact O-N 2.85Å; N573-E577 WeakPolarHBondContact O-CB 2.95Å; N573-E577 WeakPolarHBondContact O-CG 2.87Å; N573-E577 PolarHBondContact O-N 3.03Å
574L73.6Confident65.3Low99 Ų9998.3 Ų98.352%0.51850%0.501SS..Hα-helixtrans-62-39173.9-170.274000111.6Q570 K571 N578Q570-L574 VanDerWaalsContact O-CB 3.31Å; Q570-L574 WeakPolarHBondContact O-CB 3.27Å; Q570-L574 PolarHBondContact O-N 2.54Å; K571-L574 PolarHBondContact O-N 2.84Å; L574-N578 WeakPolarHBondContact O-CB 3.17Å; L574-N578 PolarHBondContact O-N 2.83Å; L574-N578 PolarHBondContact O-ND2 3.11Å
575L73.6Confident64.9Low120 Ų120102.2 Ų102.263%0.62852%0.517SS*.Hα-helixtrans-67.2-40.4173.8-80.6163.1000111.8K571 F572 N573 N578 S579K571-L575 WeakPolarHBondContact O-CB 3.36Å; K571-L575 WeakPolarHBondContact O-CG 3.26Å; K571-L575 PolarHBondContact O-N 2.81Å; F572-L575 WeakPolarHBondContact O-CB 3.36Å; F572-L575 PolarHBondContact O-N 2.92Å; N573-L575 VanDerWaalsContact C-N 3.32Å; N573-L575 PolarHBondContact O-N 2.93Å; L575-N578 PolarHBondContact O-N 3.05Å; L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 3.01Å
576L66.8Low64.1Low58 Ų58100.9 Ų100.930%0.30452%0.517SS..Hα-helixtrans-62.3-44174.7-99.2153.9000112.2F572 N573 S579F572-L576 HydrophobicContact CD1-CD1 3.64Å; F572-L576 HydrophobicContact CE1-CD1 3.25Å; F572-L576 HydrophobicContact CE1-CG 4.41Å; F572-L576 HydrophobicContact CG-CD1 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.81Å; F572-L576 WeakPolarHBondContact O-CB 3.43Å; F572-L576 PolarHBondContact O-N 3Å; N573-L576 WeakPolarHBondContact O-CB 3.25Å; N573-L576 PolarHBondContact O-N 2.85Å; L576-S579 PolarHBondContact O-N 2.78Å; L576-S579 PolarHBondContact O-OG 3.1Å
577E68.6Low62.9Low126 Ų126102.9 Ų102.959%0.58953%0.528SS*.Hα-helixtrans-65.8-38.1177.1-73.9174.1-177.200111.9N573N573-E577 WeakPolarHBondContact O-CB 2.95Å; N573-E577 WeakPolarHBondContact O-CG 2.87Å; N573-E577 PolarHBondContact O-N 3.03Å
578N64Low61.7Low127 Ų127107.5 Ų107.568%0.67955%0.547SS*.Hα-helixtrans-83.1-11.9177.7-71.5-57.7000114.3L574 L575 G580L574-N578 WeakPolarHBondContact O-CB 3.17Å; L574-N578 PolarHBondContact O-N 2.83Å; L574-N578 PolarHBondContact O-ND2 3.11Å; L575-N578 PolarHBondContact O-N 3.05Å; N578-G580 PolarHBondContact O-N 3.35Å
579S65Low60.1Low58 Ų58111.4 Ų111.441%0.40656%0.564SS.*THydrogen-bonded Turntrans-75-4.7-178680000114.4L575 L576 I581L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 3.01Å; L576-S579 PolarHBondContact O-N 2.78Å; L576-S579 PolarHBondContact O-OG 3.1Å; S579-I581 PolarHBondContact O-N 2.99Å; S579-I581 WeakPolarHBondContact OG-CD1 3.46Å; S579-I581 WeakPolarHBondContact OG-CG1 3.23Å
580G57.4Low58.1Low31 Ų31114.5 Ų114.532%0.3258%0.581SS.*SBendtrans69.6-3-178.600000114.9N578 L582 N583N578-G580 PolarHBondContact O-N 3.35Å; G580-L582 PolarHBondContact O-N 2.78Å; G580-N583 PolarHBondContact O-N 2.78Å
581I57.7Low56.5Low104 Ų104117.1 Ų117.153%0.53359%0.594SS.*THydrogen-bonded Turntrans-66.7-35.7-178.3-60.7173.2000111.2S579S579-I581 PolarHBondContact O-N 2.99Å; S579-I581 WeakPolarHBondContact OG-CD1 3.46Å; S579-I581 WeakPolarHBondContact OG-CG1 3.23Å
582L51.8Low54.5Low105 Ų105120.5 Ų120.555%0.5561%0.611SS.*THydrogen-bonded Turntrans-73.3-30.7176.7-115.692.3000113.3G580 Q584 I585 S586G580-L582 PolarHBondContact O-N 2.78Å; L582-Q584 VanDerWaalsContact C-N 3.28Å; L582-Q584 PolarHBondContact O-N 2.61Å; L582-I585 PolarHBondContact O-N 3.45Å; L582-I585 VanDerWaalsContact O-N 3.16Å; L582-S586 PolarHBondContact O-N 3.07Å
583N49.6Very low52.4Low98 Ų98119.8 Ų119.852%0.52462%0.622SS.*Hα-helixtrans-74.2-17.1-177.3-70.5-21.1000113.2G580 S586G580-N583 PolarHBondContact O-N 2.78Å; N583-S586 PolarHBondContact O-OG 2.91Å
584Q49.8Very low50.6Low165 Ų165120.8 Ų120.877%0.77164%0.635SS**Hα-helixtrans-77.3-22.3170.5-79.4-175.5-2.300113L582L582-Q584 VanDerWaalsContact C-N 3.28Å; L582-Q584 PolarHBondContact O-N 2.61Å
585I47.9Very low48.4Very low126 Ų126123.3 Ų123.365%0.64665%0.649SS**Hα-helixtrans-89.6-33.2-179.1-57.1173.1000110.7L582L582-I585 PolarHBondContact O-N 3.45Å; L582-I585 VanDerWaalsContact O-N 3.16Å
586S45.4Very low46.4Very low58 Ų58125.3 Ų125.341%0.40666%0.655SS.*Hα-helixtrans-74.4-27.7-179.561.80000114.3L582 N583 K588L582-S586 PolarHBondContact O-N 3.07Å; N583-S586 PolarHBondContact O-OG 2.91Å; S586-K588 PolarHBondContact O-N 3.48Å
587N40Very low44.4Very low143 Ų143133.8 Ų133.877%0.76569%0.685SS**THydrogen-bonded Turntrans-77.63.7-177.7-82-14000115.3
588K45Very low42.6Very low194 Ų194136.9 Ų136.984%0.84370%0.696SS**THydrogen-bonded Turntrans-106.84.2174.5-94-173175.8-179.50115.1S586S586-K588 PolarHBondContact O-N 3.48Å
589K42.5Very low41.2Very low181 Ų181137 Ų13779%0.78770%0.704SS**SBendtrans-136.125.8-171.9-93-169.7177.2-176.40116.9
590N32.2Very low39.2Very low155 Ų155137.8 Ų137.883%0.82972%0.721SS**  trans-125.371.9171.9-79.7-21.3000112.3
591E36Very low38.2Very low190 Ų190141.7 Ų141.789%0.88874%0.744SS**  trans-128.991.6144.7-82.9-170.8169.900107.3
592Q33.6Very low36.8Very low186 Ų186142.6 Ų142.687%0.86976%0.759SS**SBendtrans150.4138.9140.4-87.9178.8-21.300113.6
593S28.8Very low35.8Very low115 Ų115146 Ų14680%0.80477%0.773SS**  trans75.589.616364.50000118.2
594S32.3Very low34.9Very low98 Ų98147.2 Ų147.269%0.68578%0.783SS**  trans-41130.7133.6169.80000111.2
595D29.3Very low33.9Very low151 Ų151147.3 Ų147.381%0.80779%0.788SS**  -165.1143.8116.1-92.9-13.7000113.3
596H30.1Very low33.8Very low163 Ų163149.8 Ų149.876%0.75580%0.802SS**  trans-43.1141.2179.7-88-77.8000115.4
597Y25.3Very low33.2Very low235 Ų235150.2 Ų150.292%0.92282%0.816SS**  -168.4134.4116.8-100.8-77.7000110.2
598K31.4Very low33.3Very low192 Ų192152.6 Ų152.684%0.83582%0.822SS**PPolyproline II helixtrans-70.7156.8-176.6-88-179.3175.9179.30113.1
599P33.4Very low33.7Very low128 Ų128149.3 Ų149.383%0.83182%0.818SS**PPolyproline II helixtrans-84.7131.5-177.333.6-31.6000112
600G24.4Very low34.7Very low75 Ų75145 Ų14577%0.77380%0.804SS**PPolyproline II helixtrans-97.8117164.600000109.8
601S34.9Very low36.1Very low114 Ų114145.2 Ų145.280%0.79780%0.8SS**PPolyproline II helixtrans-61.7133.1170.450.50000111.8
602S28.8Very low37.3Very low123 Ų123141.3 Ų141.386%0.8679%0.785SS**  trans-158118.7155.2-64.20000110.2
603E30.5Very low38.7Very low177 Ų177141.9 Ų141.983%0.82778%0.779SS**  trans-58.9159.1168.1-74.1168.9123.100113
604T31.7Very low40.5Very low122 Ų122139.4 Ų139.475%0.74876%0.759SS**  trans61.3117151.443.30000119.3
605L29.1Very low42.2Very low167 Ų167137.9 Ų137.987%0.87475%0.748SS**  172.8136.4116.8-95.7147.6000111.3G607L605-G607 PolarHBondContact O-N 3.21Å; L605-G607 VanDerWaalsContact O-N 3.15Å
606L45.5Very low44.3Very low179 Ų179135.4 Ų135.494%0.93773%0.734SS**  trans-49.2116.3160.1-96.994.5000108.5
607G31.6Very low46.3Very low67 Ų67130.2 Ų130.269%0.69172%0.719SS**  trans-116.7121.5174.300000110.2L605L605-G607 PolarHBondContact O-N 3.21Å; L605-G607 VanDerWaalsContact O-N 3.15Å
608E43.7Very low48.6Very low192 Ų192124.2 Ų124.290%0.89770%0.702SS**  trans-39.7136.7171.3-91.9171.6142.800112.8N610E608-N610 PolarHBondContact O-N 3.47Å
609V52.8Low50.9Low126 Ų126121.6 Ų121.676%0.76469%0.691SS**  trans-67.492.9175.9-179.70000108.4E611 V614V609-E611 PolarHBondContact O-N 3.05Å; V609-V614 HydrophobicContact CG1-CG2 3.6Å
610N62.7Low53.2Low90 Ų90121.7 Ų121.748%0.48168%0.678SS.*  trans-71.6125.2172.4-176.3-23.7000109.3E608 N612 R613E608-N610 PolarHBondContact O-N 3.47Å; N610-N612 PolarHBondContact O-N 3.43Å; N610-N612 PolarHBondContact OD1-N 2.93Å; N610-R613 WeakPolarHBondContact O-CB 3.33Å; N610-R613 PolarHBondContact O-N 3.06Å
611E61.8Low55.7Low160 Ų160121.6 Ų121.675%0.74866%0.663SS**Hα-helixtrans-47.9-34.8179.5-146.6169.9-167.100112.6V609 R613 V614 S615V609-E611 PolarHBondContact O-N 3.05Å; E611-R613 VanDerWaalsContact C-N 3.33Å; E611-R613 PolarHBondContact O-N 2.97Å; E611-V614 PolarHBondContact O-N 3.16Å; E611-S615 PolarHBondContact O-N 3.37Å; E611-S615 PolarHBondContact O-OG 3Å
612N61.8Low58Low108 Ų108119.9 Ų119.958%0.57865%0.651SS**Hα-helixtrans-63.8-32.6175.8-83.8-18.8000113.8N610 I616N610-N612 PolarHBondContact O-N 3.43Å; N610-N612 PolarHBondContact OD1-N 2.93Å; N612-I616 WeakPolarHBondContact O-CD1 3.4Å; N612-I616 WeakPolarHBondContact O-CG1 3.41Å; N612-I616 PolarHBondContact O-N 3.04Å
613R62.8Low60.4Low197 Ų197118.7 Ų118.774%0.74363%0.632SS**Hα-helixtrans-72.1-35.3176.4-69.6-171.1174.5-171.2-0.1111.4N610 E611 I616 A617N610-R613 WeakPolarHBondContact O-CB 3.33Å; N610-R613 PolarHBondContact O-N 3.06Å; E611-R613 VanDerWaalsContact C-N 3.33Å; E611-R613 PolarHBondContact O-N 2.97Å; R613-I616 PolarHBondContact O-N 3.09Å; R613-A617 WeakPolarHBondContact O-CB 3.49Å; R613-A617 PolarHBondContact O-N 3.1Å
614V67.2Low62.7Low64 Ų64114.9 Ų114.939%0.38862%0.616SS.*Hα-helixtrans-67.3-44.6174.7-178.10000109.9V609 E611 I616 A617 L618V609-V614 HydrophobicContact CG1-CG2 3.6Å; E611-V614 PolarHBondContact O-N 3.16Å; V614-I616 VanDerWaalsContact C-N 3.34Å; V614-I616 PolarHBondContact O-N 3.43Å; V614-A617 PolarHBondContact O-N 3.3Å; V614-L618 HydrophobicContact CG1-CD1 3.89Å; V614-L618 HydrophobicContact CG1-CG 4.26Å; V614-L618 WeakPolarHBondContact O-CB 3.41Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.5Å
615S66.9Low64.8Low65 Ų65114.3 Ų114.346%0.45561%0.608SS.*Hα-helixtrans-61.7-38.8175.8-60.90000112.9E611 L618 K619E611-S615 PolarHBondContact O-N 3.37Å; E611-S615 PolarHBondContact O-OG 3Å; S615-L618 PolarHBondContact O-N 2.88Å; S615-K619 WeakPolarHBondContact O-CB 3.08Å; S615-K619 PolarHBondContact O-N 2.85Å
616I74.4Confident67.2Low100 Ų100112.3 Ų112.351%0.51359%0.594SS.*Hα-helixtrans-67.1-40.7175.8-68.5163.8000111N612 R613 V614 K619 K620N612-I616 WeakPolarHBondContact O-CD1 3.4Å; N612-I616 WeakPolarHBondContact O-CG1 3.41Å; N612-I616 PolarHBondContact O-N 3.04Å; R613-I616 PolarHBondContact O-N 3.09Å; V614-I616 VanDerWaalsContact C-N 3.34Å; V614-I616 PolarHBondContact O-N 3.43Å; I616-K619 PolarHBondContact O-N 3Å; I616-K620 WeakPolarHBondContact O-CG 3.22Å; I616-K620 PolarHBondContact O-N 3.38Å
617A71.9Confident68.6Low54 Ų54108.8 Ų108.845%0.44658%0.576SS.*Hα-helixtrans-66.2-41.4176.700000112.1R613 V614 K620 T621R613-A617 WeakPolarHBondContact O-CB 3.49Å; R613-A617 PolarHBondContact O-N 3.1Å; V614-A617 PolarHBondContact O-N 3.3Å; A617-K620 PolarHBondContact O-N 3.12Å; A617-T621 PolarHBondContact O-N 3.39Å; A617-T621 PolarHBondContact O-OG1 2.95Å
618L72.6Confident70.7Confident108 Ų108109.3 Ų109.357%0.56556%0.562SS**Hα-helixtrans-66.1-39.7176.3-72.5174.3000112V614 S615 T621 S622V614-L618 HydrophobicContact CG1-CD1 3.89Å; V614-L618 HydrophobicContact CG1-CG 4.26Å; V614-L618 WeakPolarHBondContact O-CB 3.41Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.5Å; S615-L618 PolarHBondContact O-N 2.88Å; L618-T621 VanDerWaalsContact CA-OG1 3.26Å; L618-T621 WeakPolarHBondContact CA-OG1 3.5Å; L618-T621 PolarHBondContact O-N 3.41Å; L618-T621 PolarHBondContact O-OG1 3.08Å; L618-T621 VanDerWaalsContact O-OG1 3.09Å; L618-S622 WeakPolarHBondContact O-CB 3.08Å; L618-S622 PolarHBondContact O-N 3.41Å
619K81.3Confident72.3Confident137 Ų137104.8 Ų104.860%0.59654%0.544SS*.Hα-helixtrans-64.1-45.2175.3-168.2179.3179.8-171.30111.4S615 I616 T621 S622 E623S615-K619 WeakPolarHBondContact O-CB 3.08Å; S615-K619 PolarHBondContact O-N 2.85Å; I616-K619 PolarHBondContact O-N 3Å; K619-T621 VanDerWaalsContact C-N 3.34Å; K619-T621 PolarHBondContact O-N 2.77Å; K619-S622 PolarHBondContact O-N 2.93Å; K619-E623 VanDerWaalsContact CE-OE1 3.29Å; K619-E623 WeakPolarHBondContact CE-OE1 3.31Å; K619-E623 WeakPolarHBondContact O-CG 3.44Å; K619-E623 PolarHBondContact O-N 3.47Å
620K79.9Confident73.3Confident130 Ų130101.5 Ų101.557%0.56553%0.526SS*.Hα-helixtrans-61.7-39.6175.5-78.6-173.2175.3-171.40112.8I616 A617 E623 I624I616-K620 WeakPolarHBondContact O-CG 3.22Å; I616-K620 PolarHBondContact O-N 3.38Å; A617-K620 PolarHBondContact O-N 3.12Å; K620-E623 PolarHBondContact O-N 3.17Å; K620-I624 WeakPolarHBondContact O-CD1 3.49Å; K620-I624 VanDerWaalsContact O-CG1 3.23Å; K620-I624 WeakPolarHBondContact O-CG1 3.26Å; K620-I624 PolarHBondContact O-N 3.24Å
621T77.9Confident73.5Confident73 Ų73103.1 Ų103.145%0.44853%0.534SS..Hα-helixtrans-69.2-36.1176.326.90000111.9A617 L618 K619 I624 L625A617-T621 PolarHBondContact O-N 3.39Å; A617-T621 PolarHBondContact O-OG1 2.95Å; L618-T621 VanDerWaalsContact CA-OG1 3.26Å; L618-T621 WeakPolarHBondContact CA-OG1 3.5Å; L618-T621 PolarHBondContact O-N 3.41Å; L618-T621 PolarHBondContact O-OG1 3.08Å; L618-T621 VanDerWaalsContact O-OG1 3.09Å; K619-T621 VanDerWaalsContact C-N 3.34Å; K619-T621 PolarHBondContact O-N 2.77Å; T621-I624 PolarHBondContact O-N 3.42Å; T621-L625 VanDerWaalsContact O-CG 3.31Å; T621-L625 WeakPolarHBondContact O-CG 3.4Å; T621-L625 PolarHBondContact O-N 2.88Å
622S82.6Confident73.9Confident79 Ų79100.2 Ų100.255%0.55252%0.523SS*.Hα-helixtrans-67.2-37.7174.7-159.90000112.7L618 K619 H626L618-S622 WeakPolarHBondContact O-CB 3.08Å; L618-S622 PolarHBondContact O-N 3.41Å; K619-S622 PolarHBondContact O-N 2.93Å; S622-H626 PolarHBondContact O-N 3.31Å; S622-H626 VanDerWaalsContact O-N 3.09Å
623E79.6Confident74.3Confident97 Ų9799.2 Ų99.245%0.45353%0.525SS..Hα-helixtrans-65.6-44174.7-75.1168.5-178.400111.2K619 K620 L625 H626 D627K619-E623 VanDerWaalsContact CE-OE1 3.29Å; K619-E623 WeakPolarHBondContact CE-OE1 3.31Å; K619-E623 WeakPolarHBondContact O-CG 3.44Å; K619-E623 PolarHBondContact O-N 3.47Å; K620-E623 PolarHBondContact O-N 3.17Å; E623-L625 PolarHBondContact O-N 3.41Å; E623-H626 PolarHBondContact O-N 3.39Å; E623-D627 PolarHBondContact O-N 3.14Å
624I79.1Confident74.1Confident97 Ų9796.3 Ų96.350%0.49752%0.524SS..Hα-helixtrans-63.1-40.7176.6-68.9164.9000111.7K620 T621 H626 D627 I628K620-I624 WeakPolarHBondContact O-CD1 3.49Å; K620-I624 VanDerWaalsContact O-CG1 3.23Å; K620-I624 WeakPolarHBondContact O-CG1 3.26Å; K620-I624 PolarHBondContact O-N 3.24Å; T621-I624 PolarHBondContact O-N 3.42Å; I624-H626 VanDerWaalsContact C-N 3.3Å; I624-H626 PolarHBondContact O-N 3.14Å; I624-D627 PolarHBondContact O-N 3.36Å; I624-I628 HydrophobicContact CG2-CD1 3.91Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.49Å; I624-I628 PolarHBondContact O-N 3.33Å
625L74.8Confident73.5Confident110 Ų11097.3 Ų97.358%0.57653%0.534SS*.Hα-helixtrans-64.3-37.3176.4-74.5170.6000111.6T621 E623 I628 D629T621-L625 VanDerWaalsContact O-CG 3.31Å; T621-L625 WeakPolarHBondContact O-CG 3.4Å; T621-L625 PolarHBondContact O-N 2.88Å; E623-L625 PolarHBondContact O-N 3.41Å; L625-I628 PolarHBondContact O-N 2.98Å; L625-D629 PolarHBondContact O-N 3.18Å
626H79.3Confident72.9Confident126 Ų126103.2 Ų103.258%0.58355%0.551SS**Hα-helixtrans-66.6-41.2176.3-162.945000112.1S622 E623 I624 I628 D629 C630S622-H626 PolarHBondContact O-N 3.31Å; S622-H626 VanDerWaalsContact O-N 3.09Å; E623-H626 PolarHBondContact O-N 3.39Å; I624-H626 VanDerWaalsContact C-N 3.3Å; I624-H626 PolarHBondContact O-N 3.14Å; H626-I628 VanDerWaalsContact C-N 3.32Å; H626-I628 PolarHBondContact O-N 3Å; H626-D629 PolarHBondContact O-N 3.49Å; H626-C630 PolarHBondContact O-N 3.46Å; H626-C630 PolarHBondContact O-SG 2.99Å
627D75.6Confident71.3Confident105 Ų105111.4 Ų111.456%0.56158%0.583SS**Hα-helixtrans-63-37.9175.1-76.7-13.4000112.2E623 I624 C630 L631E623-D627 PolarHBondContact O-N 3.14Å; I624-D627 PolarHBondContact O-N 3.36Å; D627-C630 PolarHBondContact O-N 3.3Å; D627-L631 WeakPolarHBondContact O-CG 3.33Å; D627-L631 PolarHBondContact O-N 3.07Å
628I76.8Confident71.3Confident78 Ų78114.3 Ų114.340%0.459%0.59SS.*Hα-helixtrans-65.4-44.8175.1-67.9165.3000110.7I624 L625 H626 C630 L631 L632I624-I628 HydrophobicContact CG2-CD1 3.91Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.49Å; I624-I628 PolarHBondContact O-N 3.33Å; L625-I628 PolarHBondContact O-N 2.98Å; H626-I628 VanDerWaalsContact C-N 3.32Å; H626-I628 PolarHBondContact O-N 3Å; I628-C630 VanDerWaalsContact C-N 3.33Å; I628-C630 PolarHBondContact O-N 3.06Å; I628-L631 PolarHBondContact O-N 3.44Å; I628-L632 HydrophobicContact CG2-CD1 3.94Å; I628-L632 HydrophobicContact CG2-CG 4.37Å; I628-L632 WeakPolarHBondContact O-CG 3.4Å; I628-L632 PolarHBondContact O-N 2.93Å
629D76.2Confident71.2Confident97 Ų97114.6 Ų114.652%0.51959%0.591SS.*Hα-helixtrans-64.2-37177.2-83.4-19.2000112.2L625 H626 L632 S633L625-D629 PolarHBondContact O-N 3.18Å; H626-D629 PolarHBondContact O-N 3.49Å; D629-L632 PolarHBondContact O-N 3.24Å; D629-S633 VanDerWaalsContact O-CB 3.32Å; D629-S633 WeakPolarHBondContact O-CB 3.46Å; D629-S633 PolarHBondContact O-N 3.29Å; D629-S633 PolarHBondContact O-OG 3.27Å
630C73.7Confident70.7Confident57 Ų57113.3 Ų113.339%0.38559%0.591SS.*Hα-helixtrans-64.7-40.1172.7-76.50000112.3H626 D627 I628 S633 N634H626-C630 PolarHBondContact O-N 3.46Å; H626-C630 PolarHBondContact O-SG 2.99Å; D627-C630 PolarHBondContact O-N 3.3Å; I628-C630 VanDerWaalsContact C-N 3.33Å; I628-C630 PolarHBondContact O-N 3.06Å; C630-S633 PolarHBondContact O-N 3.06Å; C630-N634 PolarHBondContact O-N 3.03Å; C630-N634 VanDerWaalsContact O-N 3.09Å; C630-N634 PolarHBondContact O-ND2 3.44Å
631L68Low70.1Confident123 Ų123112.4 Ų112.464%0.64459%0.592SS**Hα-helixtrans-65.2-43.1175.2-80163000112.2D627 I628 S633 N634 S635D627-L631 WeakPolarHBondContact O-CG 3.33Å; D627-L631 PolarHBondContact O-N 3.07Å; I628-L631 PolarHBondContact O-N 3.44Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 3.27Å; L631-N634 PolarHBondContact O-N 3.45Å; L631-S635 PolarHBondContact O-N 3.22Å; L631-S635 VanDerWaalsContact O-N 3.16Å
632L69.2Low69.6Low99 Ų99114.8 Ų114.852%0.51860%0.602SS.*Hα-helixtrans-68.7-29.9177.7-68.7173.3000112.7I628 D629 S635I628-L632 HydrophobicContact CG2-CD1 3.94Å; I628-L632 HydrophobicContact CG2-CG 4.37Å; I628-L632 WeakPolarHBondContact O-CG 3.4Å; I628-L632 PolarHBondContact O-N 2.93Å; D629-L632 PolarHBondContact O-N 3.24Å; L632-S635 PolarHBondContact O-OG 3.02Å; L632-S635 VanDerWaalsContact O-OG 3.13Å
633S71.3Confident68.8Low87 Ų87117.2 Ų117.261%0.60861%0.605SS**Hα-helixtrans-73.4-34.3175.4-59.70000112D629 C630 L631D629-S633 VanDerWaalsContact O-CB 3.32Å; D629-S633 WeakPolarHBondContact O-CB 3.46Å; D629-S633 PolarHBondContact O-N 3.29Å; D629-S633 PolarHBondContact O-OG 3.27Å; C630-S633 PolarHBondContact O-N 3.06Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 3.27Å
634N58.6Low68Low136 Ų136118.6 Ų118.673%0.72762%0.616SS**Hα-helixtrans-79.9-15.7177.3-74.4-28.6000113.8C630 L631 K636C630-N634 PolarHBondContact O-N 3.03Å; C630-N634 VanDerWaalsContact O-N 3.09Å; C630-N634 PolarHBondContact O-ND2 3.44Å; L631-N634 PolarHBondContact O-N 3.45Å; N634-K636 VanDerWaalsContact C-N 3.34Å
635S53.8Low67.2Low85 Ų85120.3 Ų120.359%0.59463%0.625SS**THydrogen-bonded Turntrans-887.9177.373.10000114.5L631 L632L631-S635 PolarHBondContact O-N 3.22Å; L631-S635 VanDerWaalsContact O-N 3.16Å; L632-S635 PolarHBondContact O-OG 3.02Å; L632-S635 VanDerWaalsContact O-OG 3.13Å
636K53.6Low66.5Low189 Ų189121.2 Ų121.282%0.82263%0.629SS**  trans-102.331.2177-83.1-172.4176.7177.30114.1N634N634-K636 VanDerWaalsContact C-N 3.34Å
637K42.3Very low65.4Low272 Ų272120.7 Ų120.7100%1.18363%0.633SS**  trans-113.30166.6-96.5-174.2178178.20111.5

Retrieved 637 of 637 residues in 1166.3 ms (Link to these results)

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