A0A3B3TKD5_9TELE Loading...

ElaC ribonuclease Z 1

AlphaFold DB , UniProt , Accession A0A3B3TKD5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 372 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
1M61.4Low93.1Very high124 Ų12418.3 Ų18.361%0.61111%0.111SC*.  098.50-64.8-160.6-46.700107.4D29 R249M1-D29 WeakPolarHBondContact CB-OD1 3.45Å; M1-D29 VanDerWaalsContact CG-OD1 3.27Å; M1-D29 WeakPolarHBondContact CG-OD1 3.49Å; M1-D29 VanDerWaalsContact SD-CG 3.55Å; M1-R249 PolarHBondContact O-NH1 2.99Å
2A83.9Confident93.5Very high65 Ų6517.4 Ų17.454%0.53711%0.106SC..  trans-75.9139.3177.200000108.7
3M95.2Very high93.6Very high1 Ų120.8 Ų20.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-123.3128.4167178.9-173.7-80.200106.1L26 R27 F176 R249 V251 I364M3-L26 HydrophobicContact CG-CD1 3.73Å; M3-L26 HydrophobicContact SD-CD1 4.17Å; M3-R27 VanDerWaalsContact CA-O 3.32Å; M3-R27 WeakPolarHBondContact CA-O 3.5Å; M3-F176 HydrophobicContact CE-CE1 3.62Å; M3-F176 HydrophobicContact CE-CZ 3.9Å; M3-R249 HydrophobicContact CE-CB 4.4Å; M3-R249 HydrophobicContact SD-CB 3.98Å; M3-V251 HydrophobicContact SD-CG2 4.06Å; M3-I364 HydrophobicContact CB-CB 4.27Å; M3-I364 HydrophobicContact CG-CB 4.12Å; M3-I364 HydrophobicContact CG-CD1 4.24Å; M3-I364 WeakPolarHBondContact O-CA 3.37Å; M3-I364 PolarHBondContact O-N 3.36Å; M3-I364 HydrophobicContact SD-CB 4.17Å; M3-I364 HydrophobicContact SD-CD1 4.24Å; M3-I364 HydrophobicContact SD-CG2 4.13Å
4D97.1Very high93.9Very high2 Ų229.6 Ų29.61%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-145.3161.2176.75253.4000111.2R27 T361 I362 Q363D4-R27 PolarHBondContact N-O 3.24Å; D4-R27 PolarHBondContact O-N 3.04Å; D4-R27 WeakPolarHBondContact OD1-CB 3.45Å; D4-R27 IonicContact OD1-CZ 3.14Å; D4-R27 IonicContact OD1-NE 3.78Å; D4-R27 PolarHBondContact OD1-NE 3.4Å; D4-R27 IonicContact OD1-NH2 3.16Å; D4-R27 PolarHBondContact OD1-NH2 3.05Å; D4-R27 IonicContact OD2-CZ 2.66Å; D4-R27 IonicContact OD2-NE 3.29Å; D4-R27 IonicContact OD2-NH2 2.8Å; D4-R27 PolarHBondContact OD2-NH2 3.11Å; D4-T361 HydrophobicContact CB-CG2 3.98Å; D4-I362 CarbonylContact C-O 3.39Å; D4-I362 VanDerWaalsContact CA-O 3.23Å; D4-I362 WeakPolarHBondContact CA-O 3.28Å; D4-I362 WeakPolarHBondContact CB-O 3.38Å; D4-Q363 VanDerWaalsContact CB-NE2 3.26Å; D4-Q363 PolarHBondContact OD2-NE2 2.81Å
5M97.8Very high94Very high0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-129.4120.8-175.7-162.217579.100109.4F7 V24 V25 L26 V251 V274 V276 T361 I362 I364M5-F7 HydrophobicContact CE-CE1 4.26Å; M5-F7 HydrophobicContact CE-CE2 3.46Å; M5-F7 VanDerWaalsContact CE-CE2 3.46Å; M5-F7 HydrophobicContact CE-CZ 3.26Å; M5-V24 HydrophobicContact CE-CG1 4.19Å; M5-V24 HydrophobicContact CG-CG1 3.49Å; M5-V24 VanDerWaalsContact CG-CG1 3.49Å; M5-V24 HydrophobicContact SD-CG1 3.96Å; M5-V25 CarbonylContact C-O 3.55Å; M5-V25 VanDerWaalsContact CA-O 3.25Å; M5-V25 WeakPolarHBondContact CA-O 3.41Å; M5-L26 HydrophobicContact CB-CD1 4.42Å; M5-V251 HydrophobicContact SD-CG1 3.93Å; M5-V274 HydrophobicContact CE-CG1 3.89Å; M5-V274 HydrophobicContact SD-CG1 4.47Å; M5-V276 HydrophobicContact CE-CG2 3.17Å; M5-V276 HydrophobicContact SD-CG2 3.84Å; M5-T361 CarbonylContact O-C 3.59Å; M5-T361 VanDerWaalsContact O-CA 3.3Å; M5-T361 WeakPolarHBondContact O-CA 3.5Å; M5-I362 PolarHBondContact N-O 3.05Å; M5-I362 PolarHBondContact O-N 3.4Å; M5-I364 HydrophobicContact CB-CD1 4.31Å
6T98.5Very high94.1Very high9 Ų931.2 Ų31.26%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-111.6125.6-178.1-59.90000109.7L8 V25 L50 L360 T361T6-L8 HydrophobicContact CG2-CD2 4.42Å; T6-V25 PolarHBondContact N-O 2.82Å; T6-V25 PolarHBondContact O-N 3.18Å; T6-L50 HydrophobicContact CG2-CD1 4Å; T6-L360 CarbonylContact C-O 3.6Å; T6-L360 VanDerWaalsContact CA-O 3.29Å; T6-L360 WeakPolarHBondContact CA-O 3.5Å; T6-T361 PolarHBondContact OG1-OG1 3.32Å
7F98.6Very high94Very high0 Ų036.8 Ų36.80%022%0.22CC..EExtended strand (participates in β ladder)trans-84.5123.2174.7-67.5-97.1000109M5 T10 V24 V276 V313 A356 F359 L360 I362M5-F7 HydrophobicContact CE-CE1 4.26Å; M5-F7 HydrophobicContact CE-CE2 3.46Å; M5-F7 VanDerWaalsContact CE-CE2 3.46Å; M5-F7 HydrophobicContact CE-CZ 3.26Å; F7-T10 HydrophobicContact CB-CG2 3.87Å; F7-T10 HydrophobicContact CD1-CG2 4.18Å; F7-T10 HydrophobicContact CG-CG2 4.35Å; F7-V24 HydrophobicContact CD1-CG1 4.2Å; F7-V24 HydrophobicContact CD1-CG2 3.58Å; F7-V24 HydrophobicContact CE1-CG1 4.17Å; F7-V24 HydrophobicContact CE1-CG2 3.79Å; F7-V24 HydrophobicContact CG-CG2 4.44Å; F7-V24 HydrophobicContact CZ-CG1 4.44Å; F7-V276 HydrophobicContact CE1-CG1 3.94Å; F7-V276 HydrophobicContact CZ-CG1 4.23Å; F7-V276 HydrophobicContact CZ-CG2 4.22Å; F7-V313 HydrophobicContact CE1-CG1 4.12Å; F7-V313 HydrophobicContact CE2-CG1 3.89Å; F7-V313 HydrophobicContact CZ-CB 4.08Å; F7-V313 HydrophobicContact CZ-CG1 3.37Å; F7-A356 HydrophobicContact CD1-CB 3.58Å; F7-A356 HydrophobicContact CD2-CB 4.34Å; F7-A356 HydrophobicContact CE1-CB 3.7Å; F7-A356 HydrophobicContact CE2-CB 4.44Å; F7-A356 HydrophobicContact CG-CB 3.92Å; F7-A356 HydrophobicContact CZ-CB 4.13Å; F7-F359 VanDerWaalsContact O-CA 3.24Å; F7-F359 WeakPolarHBondContact O-CA 3.35Å; F7-F359 PolarHBondContact O-N 3.01Å; F7-L360 HydrophobicContact CD2-CB 4.29Å; F7-L360 HydrophobicContact CD2-CD2 4.35Å; F7-L360 HydrophobicContact CD2-CG 4.46Å; F7-L360 HydrophobicContact CE2-CD2 4.5Å; F7-L360 PolarHBondContact N-O 2.9Å; F7-I362 HydrophobicContact CE2-CD1 3.82Å; F7-I362 HydrophobicContact CE2-CG1 4.38Å
8L98.5Very high93.8Very high0 Ų040.7 Ų40.70%024%0.235CC..EExtended strand (participates in β ladder)trans-96.8-30.3177.2-66.1175.1000111.7T6 A23 V25 L34 T41 Q44 L45 L50T6-L8 HydrophobicContact CG2-CD2 4.42Å; L8-A23 HydrophobicContact CB-CB 3.9Å; L8-A23 WeakPolarHBondContact CB-O 3.45Å; L8-A23 HydrophobicContact CD1-CB 4.38Å; L8-A23 PolarHBondContact N-O 3.43Å; L8-V25 HydrophobicContact CD1-CG2 3.62Å; L8-V25 HydrophobicContact CG-CG2 4.25Å; L8-L34 HydrophobicContact CD1-CD1 4.38Å; L8-T41 HydrophobicContact CD1-CG2 4.05Å; L8-Q44 HydrophobicContact CB-CB 3.98Å; L8-Q44 HydrophobicContact CD2-CB 4.33Å; L8-Q44 WeakPolarHBondContact O-CG 3.37Å; L8-Q44 PolarHBondContact O-NE2 2.99Å; L8-L45 HydrophobicContact CD1-CD1 4.46Å; L8-L45 HydrophobicContact CD1-CD2 3.61Å; L8-L45 HydrophobicContact CD1-CG 3.61Å; L8-L45 HydrophobicContact CD2-CD2 4.33Å; L8-L50 HydrophobicContact CD2-CD1 4.3Å
9G98.2Very high93.9Very high0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-151.3136.6173.200000110.6G20 A21 A23 D358G9-G20 CarbonylContact C-O 3.45Å; G9-G20 WeakPolarHBondContact CA-O 3.47Å; G9-A21 VanDerWaalsContact CA-O 3.27Å; G9-A21 WeakPolarHBondContact CA-O 3.48Å; G9-A23 PolarHBondContact N-O 3.02Å; G9-A23 PolarHBondContact O-N 3.35Å; G9-D358 VanDerWaalsContact CA-OD1 3.31Å; G9-D358 WeakPolarHBondContact CA-OD1 3.43Å
10T98.1Very high94.1Very high0 Ų037.2 Ų37.20%022%0.216CC..  trans-125.18.7-173.8730000113.7F7 R19 G20 H316 F317 A356 D358F7-T10 HydrophobicContact CB-CG2 3.87Å; F7-T10 HydrophobicContact CD1-CG2 4.18Å; F7-T10 HydrophobicContact CG-CG2 4.35Å; T10-R19 PolarHBondContact OG1-NH1 2.76Å; T10-G20 PolarHBondContact N-O 3.41Å; T10-G20 VanDerWaalsContact N-O 3.14Å; T10-H316 CarbonylContact O-C 3.59Å; T10-H316 VanDerWaalsContact O-CA 3.3Å; T10-H316 WeakPolarHBondContact O-CA 3.49Å; T10-H316 PolarHBondContact O-N 2.88Å; T10-H316 VanDerWaalsContact O-N 3.13Å; T10-F317 PolarHBondContact O-N 2.83Å; T10-A356 HydrophobicContact CG2-CB 3.59Å; T10-D358 PolarHBondContact N-OD1 3.33Å; T10-D358 PolarHBondContact OG1-OD1 3.31Å
11G97.3Very high94.3Very high0 Ų035.5 Ų35.50%021%0.207CC..BIsolated β-bridgetrans-94.9150.7-177.500000112.1G20G11-G20 PolarHBondContact N-O 2.94Å
12S97Very high96.1Very high8 Ų829.6 Ų29.66%0.05618%0.178CC..SBendtrans-93.2153.2176.9690000114.5Y14 H316 F317 S318S12-Y14 PolarHBondContact O-N 2.76Å; S12-H316 VanDerWaalsContact CA-CD2 3.47Å; S12-H316 WeakPolarHBondContact CA-CD2 3.41Å; S12-H316 WeakPolarHBondContact CA-NE2 3.37Å; S12-H316 WeakPolarHBondContact CB-CE1 3.27Å; S12-H316 WeakPolarHBondContact CB-ND1 3.06Å; S12-H316 VanDerWaalsContact CB-NE2 3.26Å; S12-H316 WeakPolarHBondContact CB-NE2 3.31Å; S12-F317 PolarHBondContact N-O 3.02Å; S12-F317 PolarHBondContact OG-O 2.87Å; S12-S318 VanDerWaalsContact OG-CA 3.27Å; S12-S318 WeakPolarHBondContact OG-CA 3.3Å; S12-S318 PolarHBondContact OG-N 2.69Å
13A95.8Very high96.8Very high62 Ų6226.6 Ų26.651%0.51215%0.153SC..SBendtrans65.4-38.3173.700000116.7D66A13-D66 WeakPolarHBondContact CA-OD2 3.42Å; A13-D66 PolarHBondContact N-OD2 2.93Å; A13-D66 WeakPolarHBondContact O-CB 3.3Å
14Y96.8Very high97Very high143 Ų14326.7 Ų26.756%0.56115%0.153SC*.SBendtrans-160.9155.8-179.254.6-90.9000110.9S12 Q319S12-Y14 PolarHBondContact O-N 2.76Å; Y14-Q319 HydrophobicContact CD2-CG 4.26Å; Y14-Q319 HydrophobicContact CE1-CG 4.48Å; Y14-Q319 HydrophobicContact CE2-CB 4.26Å; Y14-Q319 HydrophobicContact CE2-CG 3.72Å; Y14-Q319 PolarHBondContact O-NE2 2.97Å
15P96.1Very high97Very high55 Ų5526.6 Ų26.636%0.35715%0.153SC..  trans-72144174.930.1-34.5000111.6A21P15-A21 HydrophobicContact CB-CB 4.41Å
16S95Very high97.1Very high30 Ų3026.6 Ų26.621%0.2115%0.153CC..  trans-118.3169.2167.8760000110.5H18 R19 Q319S16-H18 PolarHBondContact O-N 3.39Å; S16-H18 PolarHBondContact OG-N 2.91Å; S16-R19 PolarHBondContact N-O 3.21Å; S16-R19 PolarHBondContact O-N 3.37Å; S16-R19 PolarHBondContact OG-N 3.08Å; S16-R19 VanDerWaalsContact OG-N 3.09Å; S16-R19 PolarHBondContact OG-O 3.35Å; S16-Q319 PolarHBondContact OG-OE1 3.13Å
17P93.4Very high97Very high126 Ų12630.4 Ų30.482%0.81817%0.166SC*.SBendtrans-57.9-15.5173.7-26.836.6000114.6
18H89.9Confident96.6Very high108 Ų10830.5 Ų30.550%0.517%0.167SC..SBendtrans-116-19.4-172.9-49.9-49.2000114S16 P323 L326S16-H18 PolarHBondContact O-N 3.39Å; S16-H18 PolarHBondContact OG-N 2.91Å; H18-P323 HydrophobicContact CB-CG 3.86Å; H18-L326 HydrophobicContact CB-CD1 3.87Å; H18-L326 WeakPolarHBondContact CE1-CD1 3.3Å; H18-L326 WeakPolarHBondContact ND1-CD1 3.27Å
19R95.4Very high95.8Very high3 Ų333 Ų331%0.01118%0.18CC..SBendtrans-141.7119175.6-62.5-176.6-175.9-78.44.1109.7T10 S16 P323 A356 D358T10-R19 PolarHBondContact OG1-NH1 2.76Å; S16-R19 PolarHBondContact N-O 3.21Å; S16-R19 PolarHBondContact O-N 3.37Å; S16-R19 PolarHBondContact OG-N 3.08Å; S16-R19 VanDerWaalsContact OG-N 3.09Å; S16-R19 PolarHBondContact OG-O 3.35Å; R19-P323 HydrophobicContact CG-CG 4.14Å; R19-A356 PolarHBondContact NH1-O 2.8Å; R19-D358 WeakPolarHBondContact CA-OD2 3.26Å
20G98Very high95.1Very high8 Ų834.3 Ų34.38%0.08219%0.194CC..PPolyproline II helixtrans-63.4161.5167.900000111.8G9 T10 G11 D358G9-G20 CarbonylContact C-O 3.45Å; G9-G20 WeakPolarHBondContact CA-O 3.47Å; T10-G20 PolarHBondContact N-O 3.41Å; T10-G20 VanDerWaalsContact N-O 3.14Å; G11-G20 PolarHBondContact N-O 2.94Å; G20-D358 PolarHBondContact N-OD2 3.39Å
21A98.5Very high94.7Very high2 Ų236.7 Ų36.72%0.01721%0.205CC..BIsolated β-bridgetrans-66.716316900000111.3G9 P15 A23 D66G9-A21 VanDerWaalsContact CA-O 3.27Å; G9-A21 WeakPolarHBondContact CA-O 3.48Å; P15-A21 HydrophobicContact CB-CB 4.41Å; A21-A23 PolarHBondContact O-N 3.04Å; A21-D66 HydrophobicContact CB-CB 4.13Å
22S98.7Very high94.6Very high0 Ų037 Ų370%021%0.207CC..SBendtrans-48.6117-172.5-70.90000114.2D36 G38 D66 H67 H316S22-D36 CarbonylContact O-C 3.28Å; S22-G38 PolarHBondContact O-N 3.4Å; S22-D66 PolarHBondContact N-O 2.86Å; S22-H67 WeakPolarHBondContact CB-CE1 3.39Å; S22-H67 WeakPolarHBondContact CB-ND1 3.11Å; S22-H67 PolarHBondContact OG-CE1 3.49Å; S22-H67 PolarHBondContact OG-NE2 3.41Å; S22-H316 PolarHBondContact OG-CD2 3.23Å
23A98.8Very high94.6Very high1 Ų136.7 Ų36.71%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-161.9126.1169.200000111L8 G9 A21 L34 F35 T41L8-A23 HydrophobicContact CB-CB 3.9Å; L8-A23 WeakPolarHBondContact CB-O 3.45Å; L8-A23 HydrophobicContact CD1-CB 4.38Å; L8-A23 PolarHBondContact N-O 3.43Å; G9-A23 PolarHBondContact N-O 3.02Å; G9-A23 PolarHBondContact O-N 3.35Å; A21-A23 PolarHBondContact O-N 3.04Å; A23-L34 HydrophobicContact CB-CD1 4.24Å; A23-F35 WeakPolarHBondContact CA-O 3.32Å; A23-T41 HydrophobicContact CB-CG2 3.66Å; A23-T41 WeakPolarHBondContact CB-OG1 3.48Å
24V98.8Very high94.8Very high3 Ų333.8 Ų33.82%0.01818%0.18CC..EExtended strand (participates in β ladder)trans-131.9132.6179-173.70000109.8M5 F7 L34 F35M5-V24 HydrophobicContact CE-CG1 4.19Å; M5-V24 HydrophobicContact CG-CG1 3.49Å; M5-V24 VanDerWaalsContact CG-CG1 3.49Å; M5-V24 HydrophobicContact SD-CG1 3.96Å; F7-V24 HydrophobicContact CD1-CG1 4.2Å; F7-V24 HydrophobicContact CD1-CG2 3.58Å; F7-V24 HydrophobicContact CE1-CG1 4.17Å; F7-V24 HydrophobicContact CE1-CG2 3.79Å; F7-V24 HydrophobicContact CG-CG2 4.44Å; F7-V24 HydrophobicContact CZ-CG1 4.44Å; V24-L34 CarbonylContact O-C 3.32Å; V24-F35 HydrophobicContact CB-CB 4.39Å; V24-F35 PolarHBondContact N-O 3.04Å; V24-F35 PolarHBondContact O-N 3.31Å
25V98.6Very high94.9Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-109.7121.7178.4176.10000110.3M5 T6 L8 C32 W33 L34 L45 L50M5-V25 CarbonylContact C-O 3.55Å; M5-V25 VanDerWaalsContact CA-O 3.25Å; M5-V25 WeakPolarHBondContact CA-O 3.41Å; T6-V25 PolarHBondContact N-O 2.82Å; T6-V25 PolarHBondContact O-N 3.18Å; L8-V25 HydrophobicContact CD1-CG2 3.62Å; L8-V25 HydrophobicContact CG-CG2 4.25Å; V25-C32 HydrophobicContact CG1-CB 3.76Å; V25-W33 CarbonylContact C-O 3.47Å; V25-W33 WeakPolarHBondContact CA-O 3.34Å; V25-L34 HydrophobicContact CG2-CD1 3.67Å; V25-L45 HydrophobicContact CG2-CD2 4.42Å; V25-L50 HydrophobicContact CB-CD1 3.64Å; V25-L50 HydrophobicContact CG1-CD1 3.75Å; V25-L50 HydrophobicContact CG1-CD2 4.39Å; V25-L50 HydrophobicContact CG2-CD1 3.86Å
26L98.3Very high95Very high0 Ų024.7 Ų24.70%014%0.139CC..EExtended strand (participates in β ladder)trans-91.4119.4164.4-178.668.5000109M3 M5 W33 F35 I194 V251 I364M3-L26 HydrophobicContact CG-CD1 3.73Å; M3-L26 HydrophobicContact SD-CD1 4.17Å; M5-L26 HydrophobicContact CB-CD1 4.42Å; L26-W33 HydrophobicContact CB-CB 4.4Å; L26-W33 HydrophobicContact CD2-CE3 4.15Å; L26-W33 PolarHBondContact N-O 3.08Å; L26-W33 PolarHBondContact O-N 3.45Å; L26-F35 HydrophobicContact CB-CD2 4.47Å; L26-F35 HydrophobicContact CB-CE2 3.76Å; L26-F35 HydrophobicContact CD2-CE2 4.42Å; L26-I194 HydrophobicContact CD2-CB 4.35Å; L26-I194 HydrophobicContact CD2-CG1 4.3Å; L26-I194 HydrophobicContact CD2-CG2 3.92Å; L26-V251 HydrophobicContact CD1-CG2 4.26Å; L26-I364 HydrophobicContact CD1-CD1 4.16Å
27R96.4Very high95.2Very high89 Ų8923.3 Ų23.334%0.33613%0.129SC..EExtended strand (participates in β ladder)trans-100.3126.2174.5-174.1169.861.6169.54.2110.1M3 D4 E31M3-R27 VanDerWaalsContact CA-O 3.32Å; M3-R27 WeakPolarHBondContact CA-O 3.5Å; D4-R27 PolarHBondContact N-O 3.24Å; D4-R27 PolarHBondContact O-N 3.04Å; D4-R27 WeakPolarHBondContact OD1-CB 3.45Å; D4-R27 IonicContact OD1-CZ 3.14Å; D4-R27 IonicContact OD1-NE 3.78Å; D4-R27 PolarHBondContact OD1-NE 3.4Å; D4-R27 IonicContact OD1-NH2 3.16Å; D4-R27 PolarHBondContact OD1-NH2 3.05Å; D4-R27 IonicContact OD2-CZ 2.66Å; D4-R27 IonicContact OD2-NE 3.29Å; D4-R27 IonicContact OD2-NH2 2.8Å; D4-R27 PolarHBondContact OD2-NH2 3.11Å; R27-E31 VanDerWaalsContact CA-O 3.32Å; R27-E31 WeakPolarHBondContact CA-O 3.49Å
28T90.9Very high95.4Very high3 Ų317.3 Ų17.32%0.0189%0.09CC..EExtended strand (participates in β ladder)trans-142.2129.3177.7-178.20000109.9G30 E31 W33 F176T28-G30 PolarHBondContact O-N 3.34Å; T28-E31 PolarHBondContact N-O 3.05Å; T28-E31 PolarHBondContact O-N 3Å; T28-W33 HydrophobicContact CG2-CD2 4.41Å; T28-W33 HydrophobicContact CG2-CZ2 4.1Å; T28-F176 HydrophobicContact CG2-CE2 4.08Å; T28-F176 HydrophobicContact CG2-CZ 4.08Å; T28-F176 VanDerWaalsContact OG1-CZ 3.24Å; T28-F176 WeakPolarHBondContact OG1-CZ 3.4Å
29D82.4Confident95.8Very high51 Ų5117.6 Ų17.627%0.2739%0.091SC..THydrogen-bonded Turntrans51.330.9178.8-62.7-20.2000114.9M1 E31 K175M1-D29 WeakPolarHBondContact CB-OD1 3.45Å; M1-D29 VanDerWaalsContact CG-OD1 3.27Å; M1-D29 WeakPolarHBondContact CG-OD1 3.49Å; M1-D29 VanDerWaalsContact SD-CG 3.55Å; D29-E31 PolarHBondContact O-N 3.41Å; D29-K175 IonicContact OD2-NZ 2.71Å; D29-K175 PolarHBondContact OD2-NZ 3.25Å
30G82.3Confident96Very high29 Ų2918.8 Ų18.830%0.29911%0.105SC..THydrogen-bonded Turntrans78.31-178.800000114.7T28 R54T28-G30 PolarHBondContact O-N 3.34Å; G30-R54 PolarHBondContact O-NE 3.04Å; G30-R54 PolarHBondContact O-NH2 3.48Å
31E90.4Very high96Very high50 Ų5018.5 Ų18.523%0.23410%0.101CC..EExtended strand (participates in β ladder)trans-89.2154165.4-59.7-165.4170.600110.4R27 T28 D29 T56 K91R27-E31 VanDerWaalsContact CA-O 3.32Å; R27-E31 WeakPolarHBondContact CA-O 3.49Å; T28-E31 PolarHBondContact N-O 3.05Å; T28-E31 PolarHBondContact O-N 3Å; D29-E31 PolarHBondContact O-N 3.41Å; E31-T56 HydrophobicContact CB-CG2 4.32Å; E31-T56 HydrophobicContact CG-CG2 4.14Å; E31-T56 PolarHBondContact OE2-OG1 3.43Å; E31-K91 IonicContact OE1-NZ 3.95Å; E31-K91 PolarHBondContact OE1-NZ 3.36Å
32C94.8Very high95.9Very high5 Ų520.7 Ų20.73%0.03411%0.111CC..EExtended strand (participates in β ladder)trans-118.2129.7176.6-65.70000109.5V25 R54 I55 T56V25-C32 HydrophobicContact CG1-CB 3.76Å; C32-R54 HydrophobicContact CB-CB 4.44Å; C32-R54 PolarHBondContact N-O 3.05Å; C32-I55 HydrophobicContact CB-CG1 4.1Å; C32-I55 VanDerWaalsContact O-CA 3.26Å; C32-I55 WeakPolarHBondContact O-CA 3.5Å; C32-T56 PolarHBondContact O-N 2.68Å
33W97.8Very high95.8Very high3 Ų323.9 Ų23.91%0.01113%0.131CC..EExtended strand (participates in β ladder)trans-114121.1174.7-65.70.6000107.8V25 L26 T28 F35 T56 K57 F59 F171 F176 V178 I194V25-W33 CarbonylContact C-O 3.47Å; V25-W33 WeakPolarHBondContact CA-O 3.34Å; L26-W33 HydrophobicContact CB-CB 4.4Å; L26-W33 HydrophobicContact CD2-CE3 4.15Å; L26-W33 PolarHBondContact N-O 3.08Å; L26-W33 PolarHBondContact O-N 3.45Å; T28-W33 HydrophobicContact CG2-CD2 4.41Å; T28-W33 HydrophobicContact CG2-CZ2 4.1Å; W33-F35 HydrophobicContact CB-CE2 4.24Å; W33-T56 PolarHBondContact NE1-OG1 2.95Å; W33-K57 WeakPolarHBondContact CA-O 3.43Å; W33-K57 HydrophobicContact CD2-CD 4.32Å; W33-K57 HydrophobicContact CG-CB 4.1Å; W33-K57 HydrophobicContact CZ2-CD 4.25Å; W33-F59 HydrophobicContact CB-CE2 4.01Å; W33-F59 HydrophobicContact CD2-CE2 4.44Å; W33-F59 HydrophobicContact CE3-CE2 4.31Å; W33-F59 HydrophobicContact CE3-CZ 4.49Å; W33-F59 HydrophobicContact CG-CE2 4.32Å; W33-F171 HydrophobicContact CH2-CE2 4.1Å; W33-F171 AromaticContact CH2-CZ 3.64Å; W33-F171 HydrophobicContact CH2-CZ 3.64Å; W33-F171 HydrophobicContact CZ2-CE2 4.42Å; W33-F171 HydrophobicContact CZ2-CZ 4.01Å; W33-F171 AromaticContact CZ3-CZ 4Å; W33-F171 HydrophobicContact CZ3-CZ 4Å; W33-F176 HydrophobicContact CH2-CB 3.93Å; W33-F176 HydrophobicContact CH2-CD1 4.17Å; W33-F176 AromaticContact CH2-CD2 3.61Å; W33-F176 HydrophobicContact CH2-CD2 3.61Å; W33-F176 HydrophobicContact CH2-CE2 4.2Å; W33-F176 AromaticContact CH2-CG 3.62Å; W33-F176 HydrophobicContact CH2-CG 3.62Å; W33-F176 HydrophobicContact CZ2-CD2 4.09Å; W33-F176 HydrophobicContact CZ2-CE2 4.48Å; W33-F176 HydrophobicContact CZ3-CD1 4.5Å; W33-F176 HydrophobicContact CZ3-CG 4.34Å; W33-V178 HydrophobicContact CH2-CG2 4.19Å; W33-V178 HydrophobicContact CZ3-CG2 3.75Å; W33-I194 HydrophobicContact CE3-CG2 4.33Å; W33-I194 HydrophobicContact CZ3-CG1 4.43Å; W33-I194 HydrophobicContact CZ3-CG2 3.66Å
34L98.6Very high95.8Very high0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-97.9129-175.7178.265.8000110L8 A23 V24 V25 D36 C37 T41 I55 K57 V58 F59 L74L8-L34 HydrophobicContact CD1-CD1 4.38Å; A23-L34 HydrophobicContact CB-CD1 4.24Å; V24-L34 CarbonylContact O-C 3.32Å; V25-L34 HydrophobicContact CG2-CD1 3.67Å; L34-D36 WeakPolarHBondContact CD1-O 3.33Å; L34-D36 VanDerWaalsContact CG-O 3.23Å; L34-D36 WeakPolarHBondContact CG-O 3.39Å; L34-C37 HydrophobicContact CD2-CB 3.89Å; L34-T41 HydrophobicContact CD1-CG2 4.28Å; L34-T41 HydrophobicContact CD2-CG2 4.28Å; L34-I55 HydrophobicContact CB-CG2 4.46Å; L34-K57 PolarHBondContact N-O 2.79Å; L34-V58 HydrophobicContact CB-CG2 4.32Å; L34-V58 HydrophobicContact CD2-CG1 4.35Å; L34-V58 HydrophobicContact CD2-CG2 4.45Å; L34-V58 CarbonylContact O-C 3.59Å; L34-V58 VanDerWaalsContact O-CA 3.29Å; L34-V58 WeakPolarHBondContact O-CA 3.34Å; L34-F59 PolarHBondContact O-N 3.37Å; L34-L74 HydrophobicContact CD2-CD2 3.41Å; L34-L74 VanDerWaalsContact CD2-CD2 3.41Å
35F98.9Very high95.7Very high3 Ų324.9 Ų24.91%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-109.2117.5172.8-62.7-91.3000108.2A23 V24 L26 W33 F59 F192 I194 V253A23-F35 WeakPolarHBondContact CA-O 3.32Å; V24-F35 HydrophobicContact CB-CB 4.39Å; V24-F35 PolarHBondContact N-O 3.04Å; V24-F35 PolarHBondContact O-N 3.31Å; L26-F35 HydrophobicContact CB-CD2 4.47Å; L26-F35 HydrophobicContact CB-CE2 3.76Å; L26-F35 HydrophobicContact CD2-CE2 4.42Å; W33-F35 HydrophobicContact CB-CE2 4.24Å; F35-F59 CarbonylContact C-O 3.57Å; F35-F59 WeakPolarHBondContact CA-O 3.46Å; F35-F59 HydrophobicContact CD1-CB 3.69Å; F35-F59 AromaticContact CD1-CD2 3.96Å; F35-F59 HydrophobicContact CD1-CD2 3.96Å; F35-F59 HydrophobicContact CD1-CG 4.03Å; F35-F59 HydrophobicContact CE1-CB 3.9Å; F35-F59 HydrophobicContact CE1-CD1 4.5Å; F35-F59 AromaticContact CE1-CD2 3.52Å; F35-F59 HydrophobicContact CE1-CD2 3.52Å; F35-F59 HydrophobicContact CE1-CE2 4.19Å; F35-F59 AromaticContact CE1-CG 3.72Å; F35-F59 HydrophobicContact CE1-CG 3.72Å; F35-F59 HydrophobicContact CE2-CD2 4.28Å; F35-F59 HydrophobicContact CG-CB 4.48Å; F35-F59 HydrophobicContact CG-CD2 4.48Å; F35-F59 AromaticContact CZ-CD2 3.7Å; F35-F59 HydrophobicContact CZ-CD2 3.7Å; F35-F59 AromaticContact CZ-CE2 4Å; F35-F59 HydrophobicContact CZ-CE2 4Å; F35-F59 HydrophobicContact CZ-CG 4.34Å; F35-F192 HydrophobicContact CD1-CB 4.3Å; F35-F192 AromaticContact CD1-CD2 3.82Å; F35-F192 HydrophobicContact CD1-CD2 3.82Å; F35-F192 HydrophobicContact CD1-CG 4.25Å; F35-F192 HydrophobicContact CE1-CB 3.86Å; F35-F192 HydrophobicContact CE1-CD2 4.17Å; F35-F192 HydrophobicContact CE1-CG 4.12Å; F35-I194 HydrophobicContact CE1-CD1 3.63Å; F35-I194 HydrophobicContact CE1-CG1 4.38Å; F35-I194 HydrophobicContact CE2-CD1 4.36Å; F35-I194 HydrophobicContact CZ-CD1 3.37Å; F35-I194 HydrophobicContact CZ-CG1 3.82Å; F35-V253 HydrophobicContact CB-CG1 4.03Å; F35-V253 HydrophobicContact CD1-CB 4.06Å; F35-V253 HydrophobicContact CD1-CG1 4.23Å; F35-V253 HydrophobicContact CD1-CG2 4.2Å; F35-V253 HydrophobicContact CD2-CG2 4.38Å; F35-V253 HydrophobicContact CE1-CG2 4.41Å; F35-V253 HydrophobicContact CG-CB 4.33Å; F35-V253 HydrophobicContact CG-CG1 4.16Å; F35-V253 HydrophobicContact CG-CG2 4.2Å
36D98.9Very high95.5Very high5 Ų530.9 Ų30.93%0.02716%0.164CC..  trans56.4156.1-167.5-62.8-33.5000114.2S22 L34 F59 I60 S61 H67S22-D36 CarbonylContact O-C 3.28Å; L34-D36 WeakPolarHBondContact CD1-O 3.33Å; L34-D36 VanDerWaalsContact CG-O 3.23Å; L34-D36 WeakPolarHBondContact CG-O 3.39Å; D36-F59 PolarHBondContact N-O 2.94Å; D36-I60 WeakPolarHBondContact OD1-CA 3.41Å; D36-S61 VanDerWaalsContact CG-OG 3.27Å; D36-S61 WeakPolarHBondContact OD1-CB 3.37Å; D36-S61 PolarHBondContact OD1-N 3.37Å; D36-S61 PolarHBondContact OD1-OG 2.94Å; D36-S61 PolarHBondContact OD2-OG 2.86Å; D36-H67 HydrophobicContact CB-CB 4.07Å; D36-H67 IonicContact OD1-ND1 3.68Å; D36-H67 IonicContact OD2-CE1 2.63Å; D36-H67 IonicContact OD2-CG 3.48Å; D36-H67 IonicContact OD2-ND1 3Å; D36-H67 PolarHBondContact OD2-ND1 2.9Å
37C98.8Very high95.4Very high0 Ų037.2 Ų37.20%019%0.192CC..  trans-147.263.8-176-169.70000110.4L34 I60 H67 L68 G70 L71L34-C37 HydrophobicContact CD2-CB 3.89Å; C37-I60 HydrophobicContact CB-CD1 4.21Å; C37-H67 CarbonylContact C-O 3.52Å; C37-H67 PolarHBondContact N-O 2.91Å; C37-L68 CarbonylContact O-C 3.57Å; C37-G70 WeakPolarHBondContact O-CA 3.27Å; C37-G70 PolarHBondContact O-N 3.31Å; C37-L71 HydrophobicContact CB-CB 4.16Å; C37-L71 HydrophobicContact CB-CD1 4.36Å; C37-L71 PolarHBondContact O-N 3.46Å; C37-L71 VanDerWaalsContact SG-CA 3.58Å; C37-L71 PolarHBondContact SG-N 2.99Å; C37-L71 VanDerWaalsContact SG-N 3.45Å
38G98.8Very high95.3Very high0 Ų033.9 Ų33.90%018%0.183CC..  trans-57.9163.6173.400000114.1S22 G40 T41 D66 G70S22-G38 PolarHBondContact O-N 3.4Å; G38-G40 PolarHBondContact O-N 3.38Å; G38-T41 PolarHBondContact N-OG1 3.05Å; G38-T41 WeakPolarHBondContact O-CB 3.46Å; G38-T41 PolarHBondContact O-N 3.04Å; G38-T41 VanDerWaalsContact O-N 3.15Å; G38-T41 PolarHBondContact O-OG1 3.4Å; G38-D66 WeakPolarHBondContact CA-O 3.33Å; G38-G70 WeakPolarHBondContact O-CA 3.25Å
39E98.8Very high95.3Very high115 Ų11542.4 Ų42.454%0.53722%0.222SC..THydrogen-bonded Turntrans-54.8135.8177.3-171.5176.1177.100111.5F69E39-F69 HydrophobicContact CB-CB 4.29Å
40G98.1Very high95.8Very high28 Ų2840.8 Ų40.829%0.28921%0.213SC..THydrogen-bonded Turntrans85.8-5.2-177.900000115.7G38 Q42 T43 Q44G38-G40 PolarHBondContact O-N 3.38Å; G40-Q42 VanDerWaalsContact C-N 3.26Å; G40-Q42 PolarHBondContact O-N 3.16Å; G40-T43 WeakPolarHBondContact O-CB 3.46Å; G40-T43 PolarHBondContact O-N 2.79Å; G40-Q44 PolarHBondContact O-N 3.21Å
41T98.6Very high96.1Very high2 Ų248.7 Ų48.71%0.01223%0.234CC..Hα-helixtrans-50.9-42.4178.9-65.20000113.2L8 A23 L34 G38 T43 Q44 L45L8-T41 HydrophobicContact CD1-CG2 4.05Å; A23-T41 HydrophobicContact CB-CG2 3.66Å; A23-T41 WeakPolarHBondContact CB-OG1 3.48Å; L34-T41 HydrophobicContact CD1-CG2 4.28Å; L34-T41 HydrophobicContact CD2-CG2 4.28Å; G38-T41 PolarHBondContact N-OG1 3.05Å; G38-T41 WeakPolarHBondContact O-CB 3.46Å; G38-T41 PolarHBondContact O-N 3.04Å; G38-T41 VanDerWaalsContact O-N 3.15Å; G38-T41 PolarHBondContact O-OG1 3.4Å; T41-T43 VanDerWaalsContact C-N 3.29Å; T41-T43 PolarHBondContact O-N 3.49Å; T41-Q44 PolarHBondContact O-N 3.09Å; T41-L45 HydrophobicContact CG2-CD1 4.41Å; T41-L45 PolarHBondContact O-N 3.27Å
42Q96.6Very high95.9Very high48 Ų4847.1 Ų47.122%0.22423%0.23CC..Hα-helixtrans-59.9-36.9177.262.3179.3-4800113.2G40 L45 M46 G73 L74 T77G40-Q42 VanDerWaalsContact C-N 3.26Å; G40-Q42 PolarHBondContact O-N 3.16Å; Q42-L45 WeakPolarHBondContact O-CB 3.27Å; Q42-L45 PolarHBondContact O-N 3.16Å; Q42-M46 WeakPolarHBondContact O-CG 3.48Å; Q42-M46 PolarHBondContact O-N 2.87Å; Q42-M46 VanDerWaalsContact O-N 3.15Å; Q42-G73 PolarHBondContact OE1-O 2.71Å; Q42-L74 HydrophobicContact CB-CB 4.44Å; Q42-L74 HydrophobicContact CB-CD1 4.01Å; Q42-T77 PolarHBondContact OE1-OG1 3.33Å
43T97.4Very high95.5Very high67 Ų6749.4 Ų49.441%0.41125%0.254SS..Hα-helixtrans-75.7-36.6178.8-50.60000110.5G40 T41 L45 M46 K47G40-T43 WeakPolarHBondContact O-CB 3.46Å; G40-T43 PolarHBondContact O-N 2.79Å; T41-T43 VanDerWaalsContact C-N 3.29Å; T41-T43 PolarHBondContact O-N 3.49Å; T43-L45 VanDerWaalsContact C-N 3.32Å; T43-M46 WeakPolarHBondContact O-CB 3.49Å; T43-M46 PolarHBondContact O-N 2.84Å; T43-K47 WeakPolarHBondContact O-CG 3.39Å; T43-K47 PolarHBondContact O-N 3.02Å; T43-K47 VanDerWaalsContact O-N 3.13Å
44Q98.1Very high95.2Very high20 Ų2055.6 Ų55.69%0.09328%0.277CS..Hα-helixtrans-63.8-39.1172.3-63-67.99300110.8L8 G40 T41 M46 K47 S48 D358 F359L8-Q44 HydrophobicContact CB-CB 3.98Å; L8-Q44 HydrophobicContact CD2-CB 4.33Å; L8-Q44 WeakPolarHBondContact O-CG 3.37Å; L8-Q44 PolarHBondContact O-NE2 2.99Å; G40-Q44 PolarHBondContact O-N 3.21Å; T41-Q44 PolarHBondContact O-N 3.09Å; Q44-M46 VanDerWaalsContact C-N 3.34Å; Q44-M46 PolarHBondContact O-N 3.36Å; Q44-K47 PolarHBondContact O-N 2.81Å; Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.11Å; Q44-D358 PolarHBondContact NE2-OD2 3.37Å; Q44-F359 HydrophobicContact CB-CE1 4.25Å; Q44-F359 VanDerWaalsContact NE2-CZ 3.31Å; Q44-F359 WeakPolarHBondContact O-CE1 3.34Å
45L95.5Very high94.9Very high5 Ų556.1 Ų56.13%0.02628%0.28CS..Hα-helixtrans-57.2-45.6171-80.7165.4000111.9L8 V25 T41 Q42 T43 K47 S48 L50 A52 I55 L74L8-L45 HydrophobicContact CD1-CD1 4.46Å; L8-L45 HydrophobicContact CD1-CD2 3.61Å; L8-L45 HydrophobicContact CD1-CG 3.61Å; L8-L45 HydrophobicContact CD2-CD2 4.33Å; V25-L45 HydrophobicContact CG2-CD2 4.42Å; T41-L45 HydrophobicContact CG2-CD1 4.41Å; T41-L45 PolarHBondContact O-N 3.27Å; Q42-L45 WeakPolarHBondContact O-CB 3.27Å; Q42-L45 PolarHBondContact O-N 3.16Å; T43-L45 VanDerWaalsContact C-N 3.32Å; L45-K47 VanDerWaalsContact C-N 3.26Å; L45-K47 PolarHBondContact O-N 3.35Å; L45-S48 WeakPolarHBondContact O-CB 3.45Å; L45-S48 PolarHBondContact O-N 3.37Å; L45-S48 PolarHBondContact O-OG 2.99Å; L45-L50 HydrophobicContact CD2-CB 3.87Å; L45-L50 HydrophobicContact CD2-CD1 4.18Å; L45-A52 HydrophobicContact CD1-CB 4.21Å; L45-I55 HydrophobicContact CD1-CD1 3.81Å; L45-L74 HydrophobicContact CD1-CD1 3.48Å; L45-L74 VanDerWaalsContact CD1-CD1 3.48Å; L45-L74 HydrophobicContact CD1-CD2 4.44Å
46M94.6Very high94.6Very high125 Ų12556.7 Ų56.762%0.61628%0.284SS*.Hα-helixtrans-62.3-30.6178.3-67.8174.7-174.300113.6Q42 T43 Q44 T77Q42-M46 WeakPolarHBondContact O-CG 3.48Å; Q42-M46 PolarHBondContact O-N 2.87Å; Q42-M46 VanDerWaalsContact O-N 3.15Å; T43-M46 WeakPolarHBondContact O-CB 3.49Å; T43-M46 PolarHBondContact O-N 2.84Å; Q44-M46 VanDerWaalsContact C-N 3.34Å; Q44-M46 PolarHBondContact O-N 3.36Å; M46-T77 HydrophobicContact CE-CG2 3.74Å
47K96.6Very high94.5Very high134 Ų13457.7 Ų57.758%0.58329%0.288SS*.Hα-helixtrans-79.5-21.3174.9-65.7171.1-173.4169.30112.9T43 Q44 L45 F359T43-K47 WeakPolarHBondContact O-CG 3.39Å; T43-K47 PolarHBondContact O-N 3.02Å; T43-K47 VanDerWaalsContact O-N 3.13Å; Q44-K47 PolarHBondContact O-N 2.81Å; L45-K47 VanDerWaalsContact C-N 3.26Å; L45-K47 PolarHBondContact O-N 3.35Å; K47-F359 HydrophobicContact CB-CE1 3.94Å; K47-F359 HydrophobicContact CB-CZ 3.79Å; K47-F359 HydrophobicContact CD-CZ 3.9Å
48S94.8Very high94.5Very high19 Ų1957.7 Ų57.713%0.13329%0.288CS..SBendtrans-85.6175.1-178.282.80000112.3Q44 L45 L50Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.11Å; L45-S48 WeakPolarHBondContact O-CB 3.45Å; L45-S48 PolarHBondContact O-N 3.37Å; L45-S48 PolarHBondContact O-OG 2.99Å; S48-L50 WeakPolarHBondContact OG-CB 3.28Å; S48-L50 PolarHBondContact OG-N 3.33Å
49Q90.8Very high94.5Very high182 Ų18257.7 Ų57.785%0.8529%0.288SS*.SBendtrans-83.50.7171.2-58.9-63.8-6.300113.3
50L92.2Very high94.6Very high16 Ų1652.2 Ų52.28%0.08426%0.262CS..  trans-84.2156.7179.9-58.9169.6000110.7T6 L8 V25 L45 S48T6-L50 HydrophobicContact CG2-CD1 4Å; L8-L50 HydrophobicContact CD2-CD1 4.3Å; V25-L50 HydrophobicContact CB-CD1 3.64Å; V25-L50 HydrophobicContact CG1-CD1 3.75Å; V25-L50 HydrophobicContact CG1-CD2 4.39Å; V25-L50 HydrophobicContact CG2-CD1 3.86Å; L45-L50 HydrophobicContact CD2-CB 3.87Å; L45-L50 HydrophobicContact CD2-CD1 4.18Å; S48-L50 WeakPolarHBondContact OG-CB 3.28Å; S48-L50 PolarHBondContact OG-N 3.33Å
51R88.4Confident94.6Very high195 Ų19551 Ų5174%0.73625%0.249SC*.  trans-117.2124177.2-65.2-173.2-179.4-158.4-0.1109.5G53 R54R51-G53 PolarHBondContact O-N 3.34Å; R51-R54 HydrophobicContact CB-CG 3.96Å; R51-R54 WeakPolarHBondContact O-CB 3.49Å; R51-R54 PolarHBondContact O-N 3.32Å
52A87.5Confident94.6Very high18 Ų1850.9 Ų50.915%0.14925%0.248CC..G310 helixtrans-57.5-36.7-179.200000112.4L45 R54 I55 L74 V78L45-A52 HydrophobicContact CD1-CB 4.21Å; A52-R54 PolarHBondContact O-N 3.16Å; A52-I55 WeakPolarHBondContact O-CB 3.35Å; A52-I55 VanDerWaalsContact O-CG1 3.31Å; A52-I55 WeakPolarHBondContact O-CG1 3.33Å; A52-I55 PolarHBondContact O-N 2.77Å; A52-L74 HydrophobicContact CB-CD1 4.31Å; A52-V78 HydrophobicContact CB-CG2 3.85Å
53G86.4Confident94.7Very high52 Ų5250.5 Ų50.554%0.53625%0.248SC..G310 helixtrans-66.6-1.6175.100000115.9R51R51-G53 PolarHBondContact O-N 3.34Å
54R89.9Confident94.8Very high134 Ų13449.2 Ų49.251%0.50624%0.237SC..G310 helixtrans-98.5-1.2172.3-58.1-67.3-76.5-163.8-5.5112.5G30 C32 R51 A52 T56G30-R54 PolarHBondContact O-NE 3.04Å; G30-R54 PolarHBondContact O-NH2 3.48Å; C32-R54 HydrophobicContact CB-CB 4.44Å; C32-R54 PolarHBondContact N-O 3.05Å; R51-R54 HydrophobicContact CB-CG 3.96Å; R51-R54 WeakPolarHBondContact O-CB 3.49Å; R51-R54 PolarHBondContact O-N 3.32Å; A52-R54 PolarHBondContact O-N 3.16Å; R54-T56 PolarHBondContact O-N 3.39Å
55I92.7Very high94.8Very high11 Ų1149 Ų496%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-71.9116.7176.4-63.5172.1000108.4C32 L34 L45 A52 V58 L74C32-I55 HydrophobicContact CB-CG1 4.1Å; C32-I55 VanDerWaalsContact O-CA 3.26Å; C32-I55 WeakPolarHBondContact O-CA 3.5Å; L34-I55 HydrophobicContact CB-CG2 4.46Å; L45-I55 HydrophobicContact CD1-CD1 3.81Å; A52-I55 WeakPolarHBondContact O-CB 3.35Å; A52-I55 VanDerWaalsContact O-CG1 3.31Å; A52-I55 WeakPolarHBondContact O-CG1 3.33Å; A52-I55 PolarHBondContact O-N 2.77Å; I55-V58 HydrophobicContact CG2-CG2 3.91Å; I55-L74 HydrophobicContact CD1-CD1 4.33Å; I55-L74 HydrophobicContact CD1-CD2 4.04Å
56T93.6Very high94.9Very high15 Ų1549.7 Ų49.79%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-109.8-20.5177.1570000112.4E31 C32 W33 R54 K91 V93 D94E31-T56 HydrophobicContact CB-CG2 4.32Å; E31-T56 HydrophobicContact CG-CG2 4.14Å; E31-T56 PolarHBondContact OE2-OG1 3.43Å; C32-T56 PolarHBondContact O-N 2.68Å; W33-T56 PolarHBondContact NE1-OG1 2.95Å; R54-T56 PolarHBondContact O-N 3.39Å; T56-K91 HydrophobicContact CG2-CD 4.11Å; T56-V93 WeakPolarHBondContact O-CA 3.27Å; T56-D94 PolarHBondContact O-N 3.16Å; T56-D94 VanDerWaalsContact O-N 3.09Å
57K97.3Very high95.1Very high25 Ų2543.7 Ų43.711%0.10922%0.215CC..EExtended strand (participates in β ladder)trans-141.6142.3-179.8-56.4-173.1-174.2-68.50111.2W33 L34 F59 D94 F171W33-K57 WeakPolarHBondContact CA-O 3.43Å; W33-K57 HydrophobicContact CD2-CD 4.32Å; W33-K57 HydrophobicContact CG-CB 4.1Å; W33-K57 HydrophobicContact CZ2-CD 4.25Å; L34-K57 PolarHBondContact N-O 2.79Å; K57-F59 HydrophobicContact CB-CE2 3.66Å; K57-F59 HydrophobicContact CB-CZ 3.86Å; K57-F59 HydrophobicContact CD-CZ 4.09Å; K57-D94 CarbonylContact C-O 3.52Å; K57-D94 VanDerWaalsContact CA-O 3.24Å; K57-D94 WeakPolarHBondContact CA-O 3.43Å; K57-D94 HydrophobicContact CG-CB 4.36Å; K57-D94 IonicContact NZ-OD2 3.92Å; K57-D94 PolarHBondContact NZ-OD2 2.88Å; K57-F171 HydrophobicContact CD-CD1 4.41Å; K57-F171 HydrophobicContact CD-CE1 3.57Å; K57-F171 HydrophobicContact CD-CE2 4.31Å; K57-F171 HydrophobicContact CD-CZ 3.49Å; K57-F171 VanDerWaalsContact CD-CZ 3.49Å
58V98.7Very high95.2Very high1 Ų137.6 Ų37.61%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-126.1136.4173.4-176.50000108.6L34 I55 I60 L71 V93 D94 I95 Y96L34-V58 HydrophobicContact CB-CG2 4.32Å; L34-V58 HydrophobicContact CD2-CG1 4.35Å; L34-V58 HydrophobicContact CD2-CG2 4.45Å; L34-V58 CarbonylContact O-C 3.59Å; L34-V58 VanDerWaalsContact O-CA 3.29Å; L34-V58 WeakPolarHBondContact O-CA 3.34Å; I55-V58 HydrophobicContact CG2-CG2 3.91Å; V58-I60 HydrophobicContact CG1-CD1 3.8Å; V58-I60 HydrophobicContact CG1-CG1 4.29Å; V58-L71 HydrophobicContact CG1-CD1 4.01Å; V58-L71 HydrophobicContact CG2-CD1 4.38Å; V58-V93 HydrophobicContact CG2-CG1 4.21Å; V58-D94 PolarHBondContact N-O 3.04Å; V58-I95 HydrophobicContact CB-CG1 4.31Å; V58-I95 HydrophobicContact CB-CG2 4.24Å; V58-I95 HydrophobicContact CG1-CG2 4.48Å; V58-I95 CarbonylContact O-C 3.36Å; V58-I95 WeakPolarHBondContact O-CA 3.39Å; V58-Y96 PolarHBondContact O-N 3.27Å
59F98.9Very high95.4Very high0 Ų042.5 Ų42.50%021%0.207CC..EExtended strand (participates in β ladder)trans-125.6113.8178.5-55.6-90000108.2W33 L34 F35 D36 K57 Y96 L170 F171 V178 F192W33-F59 HydrophobicContact CB-CE2 4.01Å; W33-F59 HydrophobicContact CD2-CE2 4.44Å; W33-F59 HydrophobicContact CE3-CE2 4.31Å; W33-F59 HydrophobicContact CE3-CZ 4.49Å; W33-F59 HydrophobicContact CG-CE2 4.32Å; L34-F59 PolarHBondContact O-N 3.37Å; F35-F59 CarbonylContact C-O 3.57Å; F35-F59 WeakPolarHBondContact CA-O 3.46Å; F35-F59 HydrophobicContact CD1-CB 3.69Å; F35-F59 AromaticContact CD1-CD2 3.96Å; F35-F59 HydrophobicContact CD1-CD2 3.96Å; F35-F59 HydrophobicContact CD1-CG 4.03Å; F35-F59 HydrophobicContact CE1-CB 3.9Å; F35-F59 HydrophobicContact CE1-CD1 4.5Å; F35-F59 AromaticContact CE1-CD2 3.52Å; F35-F59 HydrophobicContact CE1-CD2 3.52Å; F35-F59 HydrophobicContact CE1-CE2 4.19Å; F35-F59 AromaticContact CE1-CG 3.72Å; F35-F59 HydrophobicContact CE1-CG 3.72Å; F35-F59 HydrophobicContact CE2-CD2 4.28Å; F35-F59 HydrophobicContact CG-CB 4.48Å; F35-F59 HydrophobicContact CG-CD2 4.48Å; F35-F59 AromaticContact CZ-CD2 3.7Å; F35-F59 HydrophobicContact CZ-CD2 3.7Å; F35-F59 AromaticContact CZ-CE2 4Å; F35-F59 HydrophobicContact CZ-CE2 4Å; F35-F59 HydrophobicContact CZ-CG 4.34Å; D36-F59 PolarHBondContact N-O 2.94Å; K57-F59 HydrophobicContact CB-CE2 3.66Å; K57-F59 HydrophobicContact CB-CZ 3.86Å; K57-F59 HydrophobicContact CD-CZ 4.09Å; F59-Y96 CarbonylContact C-O 3.59Å; F59-Y96 WeakPolarHBondContact CA-O 3.36Å; F59-Y96 AromaticContact CD1-CD2 3.83Å; F59-Y96 HydrophobicContact CD1-CD2 3.83Å; F59-Y96 AromaticContact CD1-CG 4Å; F59-Y96 HydrophobicContact CD1-CG 4Å; F59-Y96 AromaticContact CE1-CD2 3.5Å; F59-Y96 HydrophobicContact CE1-CD2 3.5Å; F59-Y96 HydrophobicContact CE1-CE2 4.03Å; F59-Y96 AromaticContact CE1-CG 3.96Å; F59-Y96 HydrophobicContact CE1-CG 3.96Å; F59-Y96 HydrophobicContact CZ-CD2 4.15Å; F59-Y96 HydrophobicContact CZ-CE2 4.4Å; F59-L170 HydrophobicContact CD1-CD1 3.76Å; F59-L170 HydrophobicContact CE1-CD1 3.81Å; F59-F171 HydrophobicContact CE1-CE1 4.11Å; F59-F171 AromaticContact CZ-CE1 3.85Å; F59-F171 HydrophobicContact CZ-CE1 3.85Å; F59-V178 HydrophobicContact CE1-CG1 3.94Å; F59-V178 HydrophobicContact CZ-CG1 4.32Å; F59-F192 HydrophobicContact CB-CD1 4.34Å; F59-F192 HydrophobicContact CB-CD2 4.12Å; F59-F192 HydrophobicContact CB-CE1 4.11Å; F59-F192 HydrophobicContact CB-CE2 3.86Å; F59-F192 HydrophobicContact CB-CG 4.35Å; F59-F192 HydrophobicContact CB-CZ 3.86Å; F59-F192 HydrophobicContact CD1-CD1 4.18Å; F59-F192 HydrophobicContact CD1-CE1 4.27Å
60I98.9Very high95.8Very high0 Ų034 Ų340%017%0.168CC..  trans-100.1119.8177.9-56-57.9000107.7D36 C37 V58 H62 L63 L68 L71 Y96 G97 P98 L101D36-I60 WeakPolarHBondContact OD1-CA 3.41Å; C37-I60 HydrophobicContact CB-CD1 4.21Å; V58-I60 HydrophobicContact CG1-CD1 3.8Å; V58-I60 HydrophobicContact CG1-CG1 4.29Å; I60-H62 WeakPolarHBondContact CG2-O 3.36Å; I60-L63 HydrophobicContact CG2-CD2 4.43Å; I60-L68 HydrophobicContact CD1-CD1 4.22Å; I60-L68 HydrophobicContact CG1-CD1 4.14Å; I60-L68 HydrophobicContact CG2-CD1 4.3Å; I60-L71 HydrophobicContact CD1-CD2 4.36Å; I60-L71 HydrophobicContact CG1-CD2 4.38Å; I60-Y96 PolarHBondContact N-O 3.29Å; I60-G97 WeakPolarHBondContact O-CA 3.11Å; I60-P98 WeakPolarHBondContact O-CD 3.42Å; I60-L101 HydrophobicContact CB-CD2 4.18Å; I60-L101 HydrophobicContact CG1-CD1 4.42Å; I60-L101 HydrophobicContact CG1-CD2 3.94Å
61S98.9Very high96.1Very high1 Ų133.2 Ų33.21%0.00716%0.164CC..SBendtrans-68.7-45.8-179.258.60000111.9D36 F190D36-S61 VanDerWaalsContact CG-OG 3.27Å; D36-S61 WeakPolarHBondContact OD1-CB 3.37Å; D36-S61 PolarHBondContact OD1-N 3.37Å; D36-S61 PolarHBondContact OD1-OG 2.94Å; D36-S61 PolarHBondContact OD2-OG 2.86Å; S61-F190 WeakPolarHBondContact CB-O 3.28Å; S61-F190 WeakPolarHBondContact O-CD2 3.32Å; S61-F190 PolarHBondContact O-N 3.21Å
62H98.9Very high96.5Very high0 Ų024.6 Ų24.60%013%0.133CC..  trans-156.1169.7179.368.4-66.9000111.4I60 H64 H67 H185 I187 P188 D256I60-H62 WeakPolarHBondContact CG2-O 3.36Å; H62-H64 AromaticContact CD2-CG 3.44Å; H62-H64 VanDerWaalsContact CD2-CG 3.44Å; H62-H64 AromaticContact CD2-ND1 3.2Å; H62-H64 PolarHBondContact CD2-ND1 2.73Å; H62-H64 WeakPolarHBondContact NE2-CB 3.5Å; H62-H64 AromaticContact NE2-CG 3.43Å; H62-H64 AromaticContact NE2-ND1 2.99Å; H62-H64 PolarHBondContact NE2-ND1 3.22Å; H62-H64 PolarHBondContact O-N 3.44Å; H62-H67 AromaticContact CE1-CD2 3.22Å; H62-H67 PolarHBondContact CE1-CD2 2.79Å; H62-H67 AromaticContact CE1-CE1 3.5Å; H62-H67 AromaticContact CE1-CG 3.41Å; H62-H67 VanDerWaalsContact CE1-CG 3.41Å; H62-H67 AromaticContact CE1-ND1 3.58Å; H62-H67 AromaticContact CE1-NE2 3.34Å; H62-H67 PolarHBondContact CE1-NE2 2.89Å; H62-H67 VanDerWaalsContact CE1-NE2 3.34Å; H62-H67 AromaticContact ND1-CG 3.82Å; H62-H67 AromaticContact ND1-ND1 3.91Å; H62-H67 AromaticContact NE2-CD2 3.7Å; H62-H185 AromaticContact CD2-CD2 3.75Å; H62-H185 AromaticContact NE2-CD2 3.9Å; H62-H185 AromaticContact NE2-NE2 3.79Å; H62-I187 HydrophobicContact CB-CD1 4.16Å; H62-I187 HydrophobicContact CB-CG1 4.18Å; H62-P188 WeakPolarHBondContact CB-O 3.37Å; H62-D256 IonicContact CE1-OD1 3.32Å; H62-D256 IonicContact CE1-OD2 2.75Å; H62-D256 PolarHBondContact CE1-OD2 3.45Å; H62-D256 IonicContact NE2-OD2 3.59Å
63L98.6Very high97Very high40 Ų4024.8 Ų24.821%0.20914%0.138CC..  trans-92.921.7-171.2-56.2-178.6000115I60 L68 P98 R99 L101 L138 I187I60-L63 HydrophobicContact CG2-CD2 4.43Å; L63-L68 HydrophobicContact CB-CD2 4.4Å; L63-L68 HydrophobicContact CD2-CD2 3.71Å; L63-P98 HydrophobicContact CD1-CB 4.3Å; L63-P98 HydrophobicContact CD2-CB 4.37Å; L63-P98 HydrophobicContact CD2-CG 4.16Å; L63-P98 HydrophobicContact CG-CB 4.07Å; L63-P98 HydrophobicContact CG-CG 4.03Å; L63-R99 WeakPolarHBondContact CD1-O 3.38Å; L63-L101 HydrophobicContact CD2-CB 4.07Å; L63-L101 HydrophobicContact CD2-CD1 4.38Å; L63-L138 HydrophobicContact CD1-CD1 3.74Å; L63-I187 HydrophobicContact CB-CD1 4.1Å
64H98.7Very high97.5Very high41 Ų4122.5 Ų22.519%0.1911%0.113CC..  trans-70.7152167.9-73155.3000111.1H62 D66 H67 L68 H185H62-H64 AromaticContact CD2-CG 3.44Å; H62-H64 VanDerWaalsContact CD2-CG 3.44Å; H62-H64 AromaticContact CD2-ND1 3.2Å; H62-H64 PolarHBondContact CD2-ND1 2.73Å; H62-H64 WeakPolarHBondContact NE2-CB 3.5Å; H62-H64 AromaticContact NE2-CG 3.43Å; H62-H64 AromaticContact NE2-ND1 2.99Å; H62-H64 PolarHBondContact NE2-ND1 3.22Å; H62-H64 PolarHBondContact O-N 3.44Å; H64-D66 VanDerWaalsContact C-N 3.35Å; H64-D66 WeakPolarHBondContact CB-OD1 3.37Å; H64-D66 PolarHBondContact O-N 2.93Å; H64-H67 PolarHBondContact O-N 2.76Å; H64-H67 VanDerWaalsContact O-N 3.09Å; H64-L68 PolarHBondContact O-N 2.81Å; H64-H185 AromaticContact CE1-CD2 3.67Å; H64-H185 AromaticContact CE1-NE2 3.03Å; H64-H185 PolarHBondContact CE1-NE2 2.76Å; H64-H185 AromaticContact ND1-CD2 3.86Å; H64-H185 AromaticContact ND1-NE2 3.19Å; H64-H185 PolarHBondContact ND1-NE2 2.86Å; H64-H185 VanDerWaalsContact ND1-NE2 3.19Å
65G98.4Very high97.8Very high16 Ų1616.3 Ų16.317%0.1659%0.09CC..Hα-helixtrans-64.1-37.4-169.700000114.1H67 L68 F69G65-H67 PolarHBondContact O-N 2.86Å; G65-H67 VanDerWaalsContact O-N 3.16Å; G65-L68 PolarHBondContact O-N 3.09Å; G65-L68 VanDerWaalsContact O-N 3.14Å; G65-F69 VanDerWaalsContact CA-CD2 3.48Å; G65-F69 VanDerWaalsContact CA-CE1 3.49Å; G65-F69 VanDerWaalsContact CA-CE2 3.47Å; G65-F69 VanDerWaalsContact CA-CZ 3.47Å; G65-F69 VanDerWaalsContact O-CB 3.26Å; G65-F69 WeakPolarHBondContact O-CB 3.27Å; G65-F69 VanDerWaalsContact O-CG 3.29Å; G65-F69 WeakPolarHBondContact O-CG 3.48Å; G65-F69 PolarHBondContact O-N 3.24Å
66D98.6Very high97.8Very high18 Ų1817.2 Ų17.210%0.09610%0.097CC..Hα-helixtrans-69.6-4.4176.456.9-41.7000114.4A13 A21 S22 G38 H64 H316A13-D66 WeakPolarHBondContact CA-OD2 3.42Å; A13-D66 PolarHBondContact N-OD2 2.93Å; A13-D66 WeakPolarHBondContact O-CB 3.3Å; A21-D66 HydrophobicContact CB-CB 4.13Å; S22-D66 PolarHBondContact N-O 2.86Å; G38-D66 WeakPolarHBondContact CA-O 3.33Å; H64-D66 VanDerWaalsContact C-N 3.35Å; H64-D66 WeakPolarHBondContact CB-OD1 3.37Å; H64-D66 PolarHBondContact O-N 2.93Å; D66-H316 IonicContact OD2-NE2 3.32Å; D66-H316 PolarHBondContact OD2-NE2 2.85Å
67H98.8Very high97.6Very high0 Ų017.4 Ų17.40%010%0.098CC..Hα-helixtrans-113.2-9.3172-63.7-104.6000112.8S22 D36 C37 H62 H64 G65 D256 H316S22-H67 WeakPolarHBondContact CB-CE1 3.39Å; S22-H67 WeakPolarHBondContact CB-ND1 3.11Å; S22-H67 PolarHBondContact OG-CE1 3.49Å; S22-H67 PolarHBondContact OG-NE2 3.41Å; D36-H67 HydrophobicContact CB-CB 4.07Å; D36-H67 IonicContact OD1-ND1 3.68Å; D36-H67 IonicContact OD2-CE1 2.63Å; D36-H67 IonicContact OD2-CG 3.48Å; D36-H67 IonicContact OD2-ND1 3Å; D36-H67 PolarHBondContact OD2-ND1 2.9Å; C37-H67 CarbonylContact C-O 3.52Å; C37-H67 PolarHBondContact N-O 2.91Å; H62-H67 AromaticContact CE1-CD2 3.22Å; H62-H67 PolarHBondContact CE1-CD2 2.79Å; H62-H67 AromaticContact CE1-CE1 3.5Å; H62-H67 AromaticContact CE1-CG 3.41Å; H62-H67 VanDerWaalsContact CE1-CG 3.41Å; H62-H67 AromaticContact CE1-ND1 3.58Å; H62-H67 AromaticContact CE1-NE2 3.34Å; H62-H67 PolarHBondContact CE1-NE2 2.89Å; H62-H67 VanDerWaalsContact CE1-NE2 3.34Å; H62-H67 AromaticContact ND1-CG 3.82Å; H62-H67 AromaticContact ND1-ND1 3.91Å; H62-H67 AromaticContact NE2-CD2 3.7Å; H64-H67 PolarHBondContact O-N 2.76Å; H64-H67 VanDerWaalsContact O-N 3.09Å; G65-H67 PolarHBondContact O-N 2.86Å; G65-H67 VanDerWaalsContact O-N 3.16Å; H67-D256 IonicContact CE1-OD1 3.49Å; H67-D256 PolarHBondContact CE1-OD1 2.81Å; H67-D256 IonicContact CE1-OD2 3.54Å; H67-D256 IonicContact NE2-OD1 3.13Å; H67-D256 PolarHBondContact NE2-OD1 3.3Å; H67-D256 IonicContact NE2-OD2 2.76Å; H67-D256 PolarHBondContact NE2-OD2 3.2Å; H67-H316 AromaticContact CE1-NE2 3.96Å; H67-H316 AromaticContact NE2-CD2 3.97Å; H67-H316 AromaticContact NE2-NE2 3.4Å; H67-H316 PolarHBondContact NE2-NE2 3.22Å
68L98.3Very high97.1Very high5 Ų516.7 Ų16.73%0.02610%0.096CC..Hα-helixtrans-136.5-29.1-168.8179.961.9000115.9C37 I60 L63 H64 G65 G70 L71 L101 F104C37-L68 CarbonylContact O-C 3.57Å; I60-L68 HydrophobicContact CD1-CD1 4.22Å; I60-L68 HydrophobicContact CG1-CD1 4.14Å; I60-L68 HydrophobicContact CG2-CD1 4.3Å; L63-L68 HydrophobicContact CB-CD2 4.4Å; L63-L68 HydrophobicContact CD2-CD2 3.71Å; H64-L68 PolarHBondContact O-N 2.81Å; G65-L68 PolarHBondContact O-N 3.09Å; G65-L68 VanDerWaalsContact O-N 3.14Å; L68-G70 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact O-N 3.1Å; L68-L71 HydrophobicContact CD1-CB 4Å; L68-L71 HydrophobicContact CD1-CD2 3.64Å; L68-L71 HydrophobicContact CD1-CG 4.49Å; L68-L71 VanDerWaalsContact O-CB 3.22Å; L68-L71 WeakPolarHBondContact O-CB 3.07Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L101 HydrophobicContact CD1-CD1 3.32Å; L68-L101 HydrophobicContact CD2-CD1 4.1Å; L68-L101 HydrophobicContact CG-CD1 4.36Å; L68-F104 HydrophobicContact CD1-CD1 3.98Å; L68-F104 HydrophobicContact CD1-CE1 3.8Å; L68-F104 HydrophobicContact CD2-CD1 3.73Å; L68-F104 HydrophobicContact CD2-CE1 3.89Å; L68-F104 HydrophobicContact CD2-CG 4.07Å; L68-F104 HydrophobicContact CD2-CZ 4.36Å; L68-F104 HydrophobicContact CG-CD1 3.89Å; L68-F104 HydrophobicContact CG-CE1 3.57Å; L68-F104 HydrophobicContact CG-CZ 4.09Å
69F98.7Very high96.5Very high123 Ų12317 Ų1754%0.53910%0.098SC..THydrogen-bonded Turntrans-63.1-23.2-171-72-12000114.1E39 G65 L71E39-F69 HydrophobicContact CB-CB 4.29Å; G65-F69 VanDerWaalsContact CA-CD2 3.48Å; G65-F69 VanDerWaalsContact CA-CE1 3.49Å; G65-F69 VanDerWaalsContact CA-CE2 3.47Å; G65-F69 VanDerWaalsContact CA-CZ 3.47Å; G65-F69 VanDerWaalsContact O-CB 3.26Å; G65-F69 WeakPolarHBondContact O-CB 3.27Å; G65-F69 VanDerWaalsContact O-CG 3.29Å; G65-F69 WeakPolarHBondContact O-CG 3.48Å; G65-F69 PolarHBondContact O-N 3.24Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 3.46Å
70G98.5Very high95.7Very high3 Ų323.8 Ų23.83%0.03113%0.133CC..Hα-helixtrans-74.1-17.5174.400000114.1C37 G38 L68 G73 L74C37-G70 WeakPolarHBondContact O-CA 3.27Å; C37-G70 PolarHBondContact O-N 3.31Å; G38-G70 WeakPolarHBondContact O-CA 3.25Å; L68-G70 PolarHBondContact O-N 2.92Å; L68-G70 VanDerWaalsContact O-N 3.1Å; G70-G73 PolarHBondContact O-N 2.76Å; G70-L74 WeakPolarHBondContact O-CB 3.3Å; G70-L74 PolarHBondContact O-N 3.35Å
71L98.5Very high94.5Very high0 Ų029.1 Ų29.10%016%0.162CC..Hα-helixtrans-63-48.7-169.7-176.261.8000113.6C37 V58 I60 L68 F69 G73 L74 L75 I95 L101 L105C37-L71 HydrophobicContact CB-CB 4.16Å; C37-L71 HydrophobicContact CB-CD1 4.36Å; C37-L71 PolarHBondContact O-N 3.46Å; C37-L71 VanDerWaalsContact SG-CA 3.58Å; C37-L71 PolarHBondContact SG-N 2.99Å; C37-L71 VanDerWaalsContact SG-N 3.45Å; V58-L71 HydrophobicContact CG1-CD1 4.01Å; V58-L71 HydrophobicContact CG2-CD1 4.38Å; I60-L71 HydrophobicContact CD1-CD2 4.36Å; I60-L71 HydrophobicContact CG1-CD2 4.38Å; L68-L71 HydrophobicContact CD1-CB 4Å; L68-L71 HydrophobicContact CD1-CD2 3.64Å; L68-L71 HydrophobicContact CD1-CG 4.49Å; L68-L71 VanDerWaalsContact O-CB 3.22Å; L68-L71 WeakPolarHBondContact O-CB 3.07Å; L68-L71 PolarHBondContact O-N 3.48Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 3.46Å; L71-G73 PolarHBondContact O-N 2.71Å; L71-L74 PolarHBondContact O-N 2.86Å; L71-L75 HydrophobicContact CD1-CD1 4.47Å; L71-L75 HydrophobicContact CD1-CG 4.26Å; L71-L75 HydrophobicContact CG-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CG 3.21Å; L71-L75 PolarHBondContact O-N 3.02Å; L71-I95 HydrophobicContact CD2-CG2 4.11Å; L71-L101 HydrophobicContact CD2-CD1 4.04Å; L71-L105 HydrophobicContact CD2-CD1 4.07Å; L71-L105 HydrophobicContact CD2-CD2 3.9Å; L71-L105 HydrophobicContact CD2-CG 4.31Å; L71-L105 HydrophobicContact CG-CD2 4.04Å
72P98.2Very high93.3Very high13 Ų1330.1 Ų30.18%0.08417%0.168CC..Hα-helixtrans-60.9-44.9179.5-22.635000112L74 L75 C76 F104 L105 T108P72-L74 PolarHBondContact O-N 3.2Å; P72-L75 PolarHBondContact O-N 2.98Å; P72-C76 PolarHBondContact O-N 3.09Å; P72-C76 VanDerWaalsContact O-N 3.09Å; P72-C76 PolarHBondContact O-SG 3.46Å; P72-C76 VanDerWaalsContact O-SG 3.38Å; P72-F104 HydrophobicContact CG-CE1 3.56Å; P72-F104 HydrophobicContact CG-CZ 3.64Å; P72-L105 HydrophobicContact CG-CD2 4.28Å; P72-T108 HydrophobicContact CB-CG2 3.61Å; P72-T108 HydrophobicContact CG-CG2 3.75Å
73G96.9Very high91.8Very high23 Ų2335.3 Ų35.324%0.23720%0.196CC..Hα-helixtrans-63-40.7177.300000112.6Q42 G70 L71 C76 T77Q42-G73 PolarHBondContact OE1-O 2.71Å; G70-G73 PolarHBondContact O-N 2.76Å; L71-G73 PolarHBondContact O-N 2.71Å; G73-C76 PolarHBondContact O-N 3.2Å; G73-T77 WeakPolarHBondContact O-CB 3.26Å; G73-T77 PolarHBondContact O-N 2.8Å; G73-T77 PolarHBondContact O-OG1 3.2Å
74L96.7Very high89.8Confident3 Ų337.8 Ų37.82%0.01621%0.214CC..Hα-helixtrans-60.6-47.8174.6177.963.1000111.6L34 Q42 L45 A52 I55 G70 L71 P72 C76 T77 V78L34-L74 HydrophobicContact CD2-CD2 3.41Å; L34-L74 VanDerWaalsContact CD2-CD2 3.41Å; Q42-L74 HydrophobicContact CB-CB 4.44Å; Q42-L74 HydrophobicContact CB-CD1 4.01Å; L45-L74 HydrophobicContact CD1-CD1 3.48Å; L45-L74 VanDerWaalsContact CD1-CD1 3.48Å; L45-L74 HydrophobicContact CD1-CD2 4.44Å; A52-L74 HydrophobicContact CB-CD1 4.31Å; I55-L74 HydrophobicContact CD1-CD1 4.33Å; I55-L74 HydrophobicContact CD1-CD2 4.04Å; G70-L74 WeakPolarHBondContact O-CB 3.3Å; G70-L74 PolarHBondContact O-N 3.35Å; L71-L74 PolarHBondContact O-N 2.86Å; P72-L74 PolarHBondContact O-N 3.2Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 2.79Å; L74-T77 CarbonylContact O-C 3.53Å; L74-T77 PolarHBondContact O-N 2.71Å; L74-T77 VanDerWaalsContact O-N 3.12Å; L74-V78 HydrophobicContact CD1-CG2 4.25Å; L74-V78 HydrophobicContact CG-CG2 4.41Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.13Å
75L96.3Very high87.8Confident4 Ų441.4 Ų41.42%0.02124%0.235CC..Hα-helixtrans-60.3-43.1179.4-67.5175.7000111.7L71 P72 T77 V78 S79 I95 L105 L116 F118L71-L75 HydrophobicContact CD1-CD1 4.47Å; L71-L75 HydrophobicContact CD1-CG 4.26Å; L71-L75 HydrophobicContact CG-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CG 3.21Å; L71-L75 PolarHBondContact O-N 3.02Å; P72-L75 PolarHBondContact O-N 2.98Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.08Å; L75-V78 PolarHBondContact O-N 2.81Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 2.69Å; L75-I95 HydrophobicContact CD1-CD1 3.98Å; L75-I95 HydrophobicContact CD2-CD1 4.24Å; L75-L105 HydrophobicContact CD1-CD1 4.47Å; L75-L105 HydrophobicContact CD1-CD2 3.94Å; L75-L116 HydrophobicContact CB-CD1 4.38Å; L75-L116 HydrophobicContact CB-CD2 4.27Å; L75-F118 HydrophobicContact CB-CZ 4.41Å; L75-F118 HydrophobicContact CD2-CE2 4.18Å; L75-F118 HydrophobicContact CD2-CZ 3.97Å
76C94.3Very high85.6Confident30 Ų3047.6 Ų47.620%0.20327%0.269CS..Hα-helixtrans-60.4-42.8173.6-68.60000111.8P72 G73 L74 S79 L80P72-C76 PolarHBondContact O-N 3.09Å; P72-C76 VanDerWaalsContact O-N 3.09Å; P72-C76 PolarHBondContact O-SG 3.46Å; P72-C76 VanDerWaalsContact O-SG 3.38Å; G73-C76 PolarHBondContact O-N 3.2Å; L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 2.79Å; C76-S79 WeakPolarHBondContact O-CB 3.5Å; C76-S79 PolarHBondContact O-N 2.95Å; C76-L80 WeakPolarHBondContact O-CG 3.41Å; C76-L80 PolarHBondContact O-N 2.92Å
77T88.2Confident83.2Confident20 Ų2056.3 Ų56.312%0.12331%0.309CS..Hα-helixtrans-67.5-39.9177.5-72.80000112.6Q42 M46 G73 L74 L75 S79 L80 N81Q42-T77 PolarHBondContact OE1-OG1 3.33Å; M46-T77 HydrophobicContact CE-CG2 3.74Å; G73-T77 WeakPolarHBondContact O-CB 3.26Å; G73-T77 PolarHBondContact O-N 2.8Å; G73-T77 PolarHBondContact O-OG1 3.2Å; L74-T77 CarbonylContact O-C 3.53Å; L74-T77 PolarHBondContact O-N 2.71Å; L74-T77 VanDerWaalsContact O-N 3.12Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 3.08Å; T77-S79 VanDerWaalsContact C-N 3.26Å; T77-S79 PolarHBondContact O-N 3.04Å; T77-L80 PolarHBondContact O-N 3.34Å; T77-N81 WeakPolarHBondContact O-CB 3.23Å; T77-N81 PolarHBondContact O-N 2.66Å; T77-N81 VanDerWaalsContact O-N 3.13Å; T77-N81 PolarHBondContact O-ND2 2.97Å
78V86.6Confident81.1Confident10 Ų1064.3 Ų64.36%0.06135%0.347CS..Hα-helixtrans-59.3-43.2171.8175.10000109.9A52 L74 L75 N81 T82 F118A52-V78 HydrophobicContact CB-CG2 3.85Å; L74-V78 HydrophobicContact CD1-CG2 4.25Å; L74-V78 HydrophobicContact CG-CG2 4.41Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.13Å; L75-V78 PolarHBondContact O-N 2.81Å; V78-N81 PolarHBondContact O-N 2.81Å; V78-T82 PolarHBondContact O-N 2.91Å; V78-T82 PolarHBondContact O-OG1 2.49Å; V78-F118 HydrophobicContact CB-CE1 3.85Å; V78-F118 HydrophobicContact CB-CZ 4.12Å; V78-F118 HydrophobicContact CG1-CD1 4.08Å; V78-F118 HydrophobicContact CG1-CE1 3.58Å; V78-F118 HydrophobicContact CG1-CZ 3.98Å
79S87.1Confident79.1Confident6 Ų669.7 Ų69.74%0.04239%0.385CS..Hα-helixtrans-60.6-51.6-179.7-176.70000110.9L75 C76 T77 N81 T82 L116 L117L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 2.69Å; C76-S79 WeakPolarHBondContact O-CB 3.5Å; C76-S79 PolarHBondContact O-N 2.95Å; T77-S79 VanDerWaalsContact C-N 3.26Å; T77-S79 PolarHBondContact O-N 3.04Å; S79-N81 PolarHBondContact O-N 2.78Å; S79-T82 WeakPolarHBondContact O-CB 3.24Å; S79-T82 PolarHBondContact O-N 2.71Å; S79-T82 VanDerWaalsContact O-N 3.07Å; S79-L116 WeakPolarHBondContact OG-CA 3.42Å; S79-L117 WeakPolarHBondContact O-CD1 3.26Å; S79-L117 PolarHBondContact OG-N 3.13Å
80L81.4Confident77.5Confident143 Ų14366.8 Ų66.875%0.74938%0.375SS*.Hα-helixtrans-62.8-27.3180-70.5171000113.9C76 T77C76-L80 WeakPolarHBondContact O-CG 3.41Å; C76-L80 PolarHBondContact O-N 2.92Å; T77-L80 PolarHBondContact O-N 3.34Å
81N74.1Confident76.7Confident112 Ų11273 Ų7360%0.59940%0.401SS*.THydrogen-bonded Turntrans-95.62178.5-72.1-75000113.3T77 V78 S79 N83T77-N81 WeakPolarHBondContact O-CB 3.23Å; T77-N81 PolarHBondContact O-N 2.66Å; T77-N81 VanDerWaalsContact O-N 3.13Å; T77-N81 PolarHBondContact O-ND2 2.97Å; V78-N81 PolarHBondContact O-N 2.81Å; S79-N81 PolarHBondContact O-N 2.78Å; N81-N83 PolarHBondContact O-N 3.14Å
82T73.9Confident76.3Confident23 Ų2375 Ų7514%0.14141%0.414CS..  trans-79.3118.6175.4-63.20000108.6V78 S79 P84 L90V78-T82 PolarHBondContact O-N 2.91Å; V78-T82 PolarHBondContact O-OG1 2.49Å; S79-T82 WeakPolarHBondContact O-CB 3.24Å; S79-T82 PolarHBondContact O-N 2.71Å; S79-T82 VanDerWaalsContact O-N 3.07Å; T82-P84 WeakPolarHBondContact O-CD 3.27Å; T82-L90 HydrophobicContact CG2-CD1 3.76Å; T82-L90 HydrophobicContact CG2-CD2 3.36Å; T82-L90 HydrophobicContact CG2-CG 4.22Å
83N67.1Low76.1Confident108 Ų10874.7 Ų74.758%0.57841%0.412SS*.  trans-74.3120.8173.6-172.57.3000108.5N81 D85N81-N83 PolarHBondContact O-N 3.14Å; N83-D85 PolarHBondContact ND2-OD2 3.13Å; N83-D85 PolarHBondContact O-N 3.04Å
84P56.8Low76.2Confident93 Ų9375.1 Ų75.160%0.60441%0.409SS*.  trans-73.117.1-176.729.8-36.8000114.8T82 V86T82-P84 WeakPolarHBondContact O-CD 3.27Å; P84-V86 WeakPolarHBondContact O-CG2 3.21Å; P84-V86 PolarHBondContact O-N 3.15Å; P84-V86 VanDerWaalsContact O-N 3.14Å
85D56.9Low76.3Confident117 Ų11775 Ų7563%0.62641%0.408SS*.  trans-53.1122.3179.3-89.9-37000111.5N83 E87N83-D85 PolarHBondContact ND2-OD2 3.13Å; N83-D85 PolarHBondContact O-N 3.04Å; D85-E87 VanDerWaalsContact C-N 3.3Å; D85-E87 PolarHBondContact O-N 2.8Å; D85-E87 VanDerWaalsContact O-N 3.13Å
86V50.5Low76.4Confident145 Ų14575 Ų7588%0.87941%0.408SS*.THydrogen-bonded Turntrans-79.81.4-146.9177.60000114.6P84P84-V86 WeakPolarHBondContact O-CG2 3.21Å; P84-V86 PolarHBondContact O-N 3.15Å; P84-V86 VanDerWaalsContact O-N 3.14Å
87E49.6Very low76.6Confident201 Ų20173.5 Ų73.594%0.93940%0.398SS*.THydrogen-bonded Turntrans-105.1-10.3-177.1-78.3-173.3157.300114.8D85D85-E87 VanDerWaalsContact C-N 3.3Å; D85-E87 PolarHBondContact O-N 2.8Å; D85-E87 VanDerWaalsContact O-N 3.13Å
88Q54.2Low77.1Confident169 Ų16972.8 Ų72.879%0.7939%0.394SS*.SBendtrans-104.1109-179.1-129.8162.637.800110.3L90Q88-L90 PolarHBondContact O-N 3.16Å
89S55.9Low77.6Confident117 Ų11775 Ų7582%0.81840%0.401SS*.  trans-51.6112167.7179.40000108.5K91S89-K91 PolarHBondContact O-N 2.99Å
90L66.5Low78Confident63 Ų6375 Ų7533%0.3340%0.403SS..PPolyproline II helixtrans-61.1126.3178.3-68170.5000108.5T82 Q88 C92 L117 F118T82-L90 HydrophobicContact CG2-CD1 3.76Å; T82-L90 HydrophobicContact CG2-CD2 3.36Å; T82-L90 HydrophobicContact CG2-CG 4.22Å; Q88-L90 PolarHBondContact O-N 3.16Å; L90-C92 PolarHBondContact O-N 2.9Å; L90-L117 WeakPolarHBondContact CD1-O 3.47Å; L90-F118 HydrophobicContact CB-CB 4.05Å; L90-F118 HydrophobicContact CD1-CB 4.26Å
91K80.2Confident78.8Confident134 Ų13468.2 Ų68.258%0.58337%0.367SS*.PPolyproline II helixtrans-66.3132.8-178.2-69.7-168.3-179.7-167.70108.9E31 T56 S89 V93E31-K91 IonicContact OE1-NZ 3.95Å; E31-K91 PolarHBondContact OE1-NZ 3.36Å; T56-K91 HydrophobicContact CG2-CD 4.11Å; S89-K91 PolarHBondContact O-N 2.99Å; K91-V93 PolarHBondContact O-N 2.89Å
92C90.1Very high79.9Confident40 Ų4064 Ų6427%0.2734%0.343SS..PPolyproline II helixtrans-59.2134171.4-174.80000109.9L90 P119L90-C92 PolarHBondContact O-N 2.9Å; C92-P119 VanDerWaalsContact CA-O 3.25Å; C92-P119 WeakPolarHBondContact CA-O 3.32Å; C92-P119 HydrophobicContact CB-CB 4.46Å; C92-P119 HydrophobicContact CB-CG 4.16Å
93V95.5Very high80.9Confident7 Ų765.4 Ų65.44%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-88.2110.3170179.70000108.3T56 V58 K91 I95 F118 P119 Y120 A121T56-V93 WeakPolarHBondContact O-CA 3.27Å; V58-V93 HydrophobicContact CG2-CG1 4.21Å; K91-V93 PolarHBondContact O-N 2.89Å; V93-I95 HydrophobicContact CG1-CG1 4.11Å; V93-F118 HydrophobicContact CB-CD2 4.32Å; V93-F118 HydrophobicContact CB-CE2 4Å; V93-F118 HydrophobicContact CG2-CD2 3.66Å; V93-F118 HydrophobicContact CG2-CE2 3.5Å; V93-F118 HydrophobicContact CG2-CZ 4.41Å; V93-P119 PolarHBondContact N-O 3.31Å; V93-Y120 VanDerWaalsContact O-CA 3.29Å; V93-Y120 WeakPolarHBondContact O-CA 3.32Å; V93-A121 PolarHBondContact O-N 3.11Å
94D97.9Very high82.4Confident32 Ų3262.9 Ų62.917%0.17133%0.331CS..EExtended strand (participates in β ladder)trans-84.3123.3175.4-60-58.4000110.1T56 K57 V58 Y96 H123T56-D94 PolarHBondContact O-N 3.16Å; T56-D94 VanDerWaalsContact O-N 3.09Å; K57-D94 CarbonylContact C-O 3.52Å; K57-D94 VanDerWaalsContact CA-O 3.24Å; K57-D94 WeakPolarHBondContact CA-O 3.43Å; K57-D94 HydrophobicContact CG-CB 4.36Å; K57-D94 IonicContact NZ-OD2 3.92Å; K57-D94 PolarHBondContact NZ-OD2 2.88Å; V58-D94 PolarHBondContact N-O 3.04Å; D94-Y96 HydrophobicContact CB-CD2 4.32Å; D94-Y96 HydrophobicContact CB-CE2 3.45Å; D94-Y96 VanDerWaalsContact CB-CE2 3.45Å; D94-H123 IonicContact OD1-NE2 3.84Å; D94-H123 PolarHBondContact OD1-NE2 3.29Å
95I98.8Very high84.3Confident0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-114116.2-178.4-53.1176.3000108.1V58 L71 L75 V93 L101 L105 Y120 A121 V122 H123V58-I95 HydrophobicContact CB-CG1 4.31Å; V58-I95 HydrophobicContact CB-CG2 4.24Å; V58-I95 HydrophobicContact CG1-CG2 4.48Å; V58-I95 CarbonylContact O-C 3.36Å; V58-I95 WeakPolarHBondContact O-CA 3.39Å; L71-I95 HydrophobicContact CD2-CG2 4.11Å; L75-I95 HydrophobicContact CD1-CD1 3.98Å; L75-I95 HydrophobicContact CD2-CD1 4.24Å; V93-I95 HydrophobicContact CG1-CG1 4.11Å; I95-L101 HydrophobicContact CG2-CD2 3.76Å; I95-L101 HydrophobicContact CG2-CG 4.49Å; I95-L105 HydrophobicContact CD1-CD1 3.7Å; I95-L105 HydrophobicContact CG2-CD1 4.5Å; I95-Y120 HydrophobicContact CD1-CD2 4.14Å; I95-A121 PolarHBondContact N-O 3.26Å; I95-V122 CarbonylContact O-C 3.53Å; I95-V122 WeakPolarHBondContact O-CA 3.18Å; I95-H123 PolarHBondContact O-N 3.27Å
96Y98.9Very high86.1Confident4 Ų454.8 Ų54.82%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-106.2137.7178.6-60.2-95.5000109.5V58 F59 I60 D94 H123 I159 L170 F171V58-Y96 PolarHBondContact O-N 3.27Å; F59-Y96 CarbonylContact C-O 3.59Å; F59-Y96 WeakPolarHBondContact CA-O 3.36Å; F59-Y96 AromaticContact CD1-CD2 3.83Å; F59-Y96 HydrophobicContact CD1-CD2 3.83Å; F59-Y96 AromaticContact CD1-CG 4Å; F59-Y96 HydrophobicContact CD1-CG 4Å; F59-Y96 AromaticContact CE1-CD2 3.5Å; F59-Y96 HydrophobicContact CE1-CD2 3.5Å; F59-Y96 HydrophobicContact CE1-CE2 4.03Å; F59-Y96 AromaticContact CE1-CG 3.96Å; F59-Y96 HydrophobicContact CE1-CG 3.96Å; F59-Y96 HydrophobicContact CZ-CD2 4.15Å; F59-Y96 HydrophobicContact CZ-CE2 4.4Å; I60-Y96 PolarHBondContact N-O 3.29Å; D94-Y96 HydrophobicContact CB-CD2 4.32Å; D94-Y96 HydrophobicContact CB-CE2 3.45Å; D94-Y96 VanDerWaalsContact CB-CE2 3.45Å; Y96-H123 WeakPolarHBondContact CA-O 3.39Å; Y96-H123 HydrophobicContact CD1-CB 3.62Å; Y96-H123 AromaticContact CD1-CD2 3.88Å; Y96-H123 HydrophobicContact CE1-CB 3.8Å; Y96-H123 AromaticContact CE1-CD2 3.41Å; Y96-H123 VanDerWaalsContact CE1-CD2 3.41Å; Y96-H123 WeakPolarHBondContact CE1-CD2 3.29Å; Y96-H123 AromaticContact CE1-CG 3.74Å; Y96-H123 AromaticContact CE2-CD2 3.98Å; Y96-H123 HydrophobicContact CG-CB 4.38Å; Y96-H123 AromaticContact CZ-CD2 3.44Å; Y96-H123 VanDerWaalsContact CZ-CD2 3.44Å; Y96-I159 HydrophobicContact CD1-CD1 4.06Å; Y96-I159 HydrophobicContact CE1-CD1 4.24Å; Y96-L170 HydrophobicContact CD1-CB 3.88Å; Y96-L170 HydrophobicContact CD1-CD1 4.04Å; Y96-L170 HydrophobicContact CD1-CD2 4.19Å; Y96-L170 HydrophobicContact CD1-CG 4.26Å; Y96-L170 HydrophobicContact CE1-CB 3.86Å; Y96-L170 HydrophobicContact CG-CD1 4.13Å; Y96-F171 HydrophobicContact CE1-CD1 4.46Å; Y96-F171 HydrophobicContact CE2-CD1 4.25Å; Y96-F171 HydrophobicContact CE2-CE1 4.48Å; Y96-F171 AromaticContact CZ-CD1 3.85Å
97G98.8Very high88.2Confident0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans177.4-174.2172.700000113.1I60 H123 E124 L125I60-G97 WeakPolarHBondContact O-CA 3.11Å; G97-H123 PolarHBondContact N-O 3.38Å; G97-H123 VanDerWaalsContact N-O 3.1Å; G97-E124 CarbonylContact O-C 2.91Å; G97-E124 WeakPolarHBondContact O-CA 3.29Å; G97-L125 WeakPolarHBondContact O-CD1 3.25Å; G97-L125 PolarHBondContact O-N 3.47Å
98P98.2Very high90.5Very high5 Ų543.2 Ų43.23%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-63.9158.3-178.1-16.925.9000113.6I60 L63 G100 L101 F190I60-P98 WeakPolarHBondContact O-CD 3.42Å; L63-P98 HydrophobicContact CD1-CB 4.3Å; L63-P98 HydrophobicContact CD2-CB 4.37Å; L63-P98 HydrophobicContact CD2-CG 4.16Å; L63-P98 HydrophobicContact CG-CB 4.07Å; L63-P98 HydrophobicContact CG-CG 4.03Å; P98-G100 PolarHBondContact O-N 3.39Å; P98-L101 VanDerWaalsContact O-CB 3.28Å; P98-L101 WeakPolarHBondContact O-CB 3.08Å; P98-L101 PolarHBondContact O-N 2.97Å; P98-F190 HydrophobicContact CB-CE2 3.96Å; P98-F190 HydrophobicContact CG-CD2 3.98Å; P98-F190 HydrophobicContact CG-CE2 3.85Å
99R97.3Very high92.5Very high55 Ų5535.1 Ų35.121%0.20819%0.185CC..THydrogen-bonded Turntrans-46.3131164.2-76.1-67.4-161.1172.512.4111.8L63 E124 L125 L138 T143 T158L63-R99 WeakPolarHBondContact CD1-O 3.38Å; R99-E124 VanDerWaalsContact CD-OE2 3.3Å; R99-E124 WeakPolarHBondContact CD-OE2 3.39Å; R99-E124 HydrophobicContact CG-CB 4.45Å; R99-E124 IonicContact CZ-OE2 3.49Å; R99-E124 IonicContact NE-OE2 3.72Å; R99-E124 IonicContact NH1-OE2 3.55Å; R99-E124 PolarHBondContact NH1-OE2 3.05Å; R99-L125 PolarHBondContact N-O 3.34Å; R99-L138 WeakPolarHBondContact O-CD1 3.4Å; R99-T143 HydrophobicContact CB-CG2 3.87Å; R99-T158 VanDerWaalsContact CZ-CG2 3.49Å; R99-T158 PolarHBondContact NH1-OG1 3.48Å; R99-T158 VanDerWaalsContact NH1-OG1 3.08Å; R99-T158 PolarHBondContact NH2-OG1 3.17Å; R99-T158 VanDerWaalsContact NH2-OG1 3.13Å
100G96Very high94.4Very high8 Ų831.9 Ų31.98%0.08217%0.17CC..THydrogen-bonded Turntrans108.8-23.7-177.100000112.8P98 R102 K103 F104 E124P98-G100 PolarHBondContact O-N 3.39Å; G100-R102 VanDerWaalsContact C-N 3.3Å; G100-R102 PolarHBondContact O-N 3.12Å; G100-K103 PolarHBondContact O-N 3.32Å; G100-F104 PolarHBondContact O-N 3.08Å; G100-E124 PolarHBondContact N-OE1 3.15Å
101L97.6Very high95.8Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-58.8-39.7177.9-179.555.8000112.8I60 L63 L68 L71 I95 P98 F104 L105 V122 E124I60-L101 HydrophobicContact CB-CD2 4.18Å; I60-L101 HydrophobicContact CG1-CD1 4.42Å; I60-L101 HydrophobicContact CG1-CD2 3.94Å; L63-L101 HydrophobicContact CD2-CB 4.07Å; L63-L101 HydrophobicContact CD2-CD1 4.38Å; L68-L101 HydrophobicContact CD1-CD1 3.32Å; L68-L101 HydrophobicContact CD2-CD1 4.1Å; L68-L101 HydrophobicContact CG-CD1 4.36Å; L71-L101 HydrophobicContact CD2-CD1 4.04Å; I95-L101 HydrophobicContact CG2-CD2 3.76Å; I95-L101 HydrophobicContact CG2-CG 4.49Å; P98-L101 VanDerWaalsContact O-CB 3.28Å; P98-L101 WeakPolarHBondContact O-CB 3.08Å; P98-L101 PolarHBondContact O-N 2.97Å; L101-F104 HydrophobicContact CD1-CD1 4.34Å; L101-F104 PolarHBondContact O-N 2.86Å; L101-L105 HydrophobicContact CD1-CG 4.5Å; L101-L105 PolarHBondContact O-N 2.92Å; L101-L105 VanDerWaalsContact O-N 3.09Å; L101-V122 HydrophobicContact CB-CG1 4.32Å; L101-V122 HydrophobicContact CD2-CG1 4.23Å; L101-V122 HydrophobicContact CG-CG1 4.02Å; L101-E124 PolarHBondContact N-OE1 2.9Å
102R97.2Very high96.6Very high23 Ų2333.8 Ų33.89%0.08719%0.189CC..Hα-helixtrans-63.7-47.2179.2-172.3-178.2-60.3102.37.1111G100 F104 L105 R106 V122 E124 D145 E153G100-R102 VanDerWaalsContact C-N 3.3Å; G100-R102 PolarHBondContact O-N 3.12Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 2.95Å; R102-L105 PolarHBondContact O-N 2.97Å; R102-R106 HydrophobicContact CG-CG 4.49Å; R102-R106 WeakPolarHBondContact O-CG 3.46Å; R102-R106 PolarHBondContact O-N 2.76Å; R102-V122 HydrophobicContact CB-CB 4.11Å; R102-V122 HydrophobicContact CB-CG1 3.87Å; R102-V122 HydrophobicContact CG-CB 4.17Å; R102-V122 HydrophobicContact CG-CG1 4.49Å; R102-V122 HydrophobicContact CG-CG2 4.43Å; R102-V122 PolarHBondContact NH2-O 3.44Å; R102-E124 HydrophobicContact CB-CG 4.42Å; R102-E124 WeakPolarHBondContact CB-OE1 3.18Å; R102-E124 IonicContact CZ-OE2 3.62Å; R102-E124 PolarHBondContact N-OE1 3.19Å; R102-E124 IonicContact NH1-OE1 2.79Å; R102-E124 IonicContact NH1-OE2 3.83Å; R102-E124 PolarHBondContact NH1-OE2 2.72Å; R102-E124 IonicContact NH2-OE2 3.56Å; R102-D145 WeakPolarHBondContact CD-OD2 3.45Å; R102-D145 WeakPolarHBondContact CG-OD2 3.31Å; R102-E153 WeakPolarHBondContact CD-OE1 3.4Å; R102-E153 IonicContact NE-OE1 3.69Å
103K96.1Very high96.8Very high53 Ų5334.4 Ų34.423%0.2320%0.202CC..Hα-helixtrans-60.4-44.4177.6-170.7178.3-175-178.20111G100 L105 R106 V107 E141 M142G100-K103 PolarHBondContact O-N 3.32Å; K103-L105 PolarHBondContact O-N 2.97Å; K103-R106 PolarHBondContact O-N 2.99Å; K103-V107 HydrophobicContact CG-CG2 4.24Å; K103-V107 WeakPolarHBondContact O-CB 3.46Å; K103-V107 VanDerWaalsContact O-CG2 3.27Å; K103-V107 WeakPolarHBondContact O-CG2 3.42Å; K103-V107 PolarHBondContact O-N 2.98Å; K103-E141 PolarHBondContact NZ-O 3.13Å; K103-M142 WeakPolarHBondContact CD-O 3.44Å
104F96.6Very high96.8Very high55 Ų5535.3 Ų35.324%0.24121%0.209CC..Hα-helixtrans-54.7-49.1175.5170.1-104.2000112.2L68 P72 G100 L101 R102 T108L68-F104 HydrophobicContact CD1-CD1 3.98Å; L68-F104 HydrophobicContact CD1-CE1 3.8Å; L68-F104 HydrophobicContact CD2-CD1 3.73Å; L68-F104 HydrophobicContact CD2-CE1 3.89Å; L68-F104 HydrophobicContact CD2-CG 4.07Å; L68-F104 HydrophobicContact CD2-CZ 4.36Å; L68-F104 HydrophobicContact CG-CD1 3.89Å; L68-F104 HydrophobicContact CG-CE1 3.57Å; L68-F104 HydrophobicContact CG-CZ 4.09Å; P72-F104 HydrophobicContact CG-CE1 3.56Å; P72-F104 HydrophobicContact CG-CZ 3.64Å; G100-F104 PolarHBondContact O-N 3.08Å; L101-F104 HydrophobicContact CD1-CD1 4.34Å; L101-F104 PolarHBondContact O-N 2.86Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 2.95Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 PolarHBondContact O-OG1 3.48Å
105L96.9Very high96.5Very high0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-66.9-45.3179.2-74.6177.1000112.4L71 P72 L75 I95 L101 R102 K103 T108 L109 Y120 V122L71-L105 HydrophobicContact CD2-CD1 4.07Å; L71-L105 HydrophobicContact CD2-CD2 3.9Å; L71-L105 HydrophobicContact CD2-CG 4.31Å; L71-L105 HydrophobicContact CG-CD2 4.04Å; P72-L105 HydrophobicContact CG-CD2 4.28Å; L75-L105 HydrophobicContact CD1-CD1 4.47Å; L75-L105 HydrophobicContact CD1-CD2 3.94Å; I95-L105 HydrophobicContact CD1-CD1 3.7Å; I95-L105 HydrophobicContact CG2-CD1 4.5Å; L101-L105 HydrophobicContact CD1-CG 4.5Å; L101-L105 PolarHBondContact O-N 2.92Å; L101-L105 VanDerWaalsContact O-N 3.09Å; R102-L105 PolarHBondContact O-N 2.97Å; K103-L105 PolarHBondContact O-N 2.97Å; L105-T108 PolarHBondContact O-N 2.74Å; L105-L109 WeakPolarHBondContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 2.77Å; L105-Y120 HydrophobicContact CD1-CE2 4.47Å; L105-V122 HydrophobicContact CD1-CG2 3.76Å
106R95.9Very high96.3Very high39 Ų3939.2 Ų39.215%0.14723%0.226CC..Hα-helixtrans-60.7-46.6178.7-74.7-178-176.7-175.4-7.7112.2R102 K103 G110 D145 S147 E153R102-R106 HydrophobicContact CG-CG 4.49Å; R102-R106 WeakPolarHBondContact O-CG 3.46Å; R102-R106 PolarHBondContact O-N 2.76Å; K103-R106 PolarHBondContact O-N 2.99Å; R106-G110 WeakPolarHBondContact O-CA 3.29Å; R106-G110 PolarHBondContact O-N 2.99Å; R106-D145 WeakPolarHBondContact CD-OD2 3.35Å; R106-D145 IonicContact CZ-OD2 2.78Å; R106-D145 IonicContact NE-OD2 2.71Å; R106-D145 PolarHBondContact NE-OD2 3.13Å; R106-D145 IonicContact NH1-OD1 3.04Å; R106-D145 PolarHBondContact NH1-OD1 3.49Å; R106-D145 VanDerWaalsContact NH1-OD1 3.13Å; R106-D145 IonicContact NH1-OD2 2.69Å; R106-D145 PolarHBondContact NH1-OD2 2.75Å; R106-S147 PolarHBondContact NH1-O 2.81Å; R106-E153 WeakPolarHBondContact CG-OE2 3.06Å; R106-E153 IonicContact CZ-OE1 3.88Å; R106-E153 VanDerWaalsContact CZ-OE1 3.32Å; R106-E153 IonicContact CZ-OE2 3.52Å; R106-E153 VanDerWaalsContact NE-CD 3.31Å; R106-E153 IonicContact NE-OE1 2.85Å; R106-E153 PolarHBondContact NE-OE1 3.42Å; R106-E153 VanDerWaalsContact NE-OE1 3.09Å; R106-E153 IonicContact NE-OE2 3.63Å; R106-E153 PolarHBondContact NE-OE2 3.3Å; R106-E153 IonicContact NH2-OE1 3.39Å; R106-E153 PolarHBondContact NH2-OE1 3.34Å; R106-E153 IonicContact NH2-OE2 3.92Å; R106-E153 PolarHBondContact NH2-OE2 3.17Å
107V95Very high95.9Very high65 Ų6543.7 Ų43.739%0.39425%0.25SC..Hα-helixtrans-62.5-48.9177.6170.50000109.9K103 L111K103-V107 HydrophobicContact CG-CG2 4.24Å; K103-V107 WeakPolarHBondContact O-CB 3.46Å; K103-V107 VanDerWaalsContact O-CG2 3.27Å; K103-V107 WeakPolarHBondContact O-CG2 3.42Å; K103-V107 PolarHBondContact O-N 2.98Å; V107-L111 HydrophobicContact CG1-CD1 3.64Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 VanDerWaalsContact O-CB 3.26Å; V107-L111 WeakPolarHBondContact O-CB 3.45Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.27Å
108T96.9Very high95.6Very high38 Ų3844 Ų4423%0.23325%0.251CS..Hα-helixtrans-65.1-54.7-175.8-52.60000111.6P72 F104 L105 G110 L111 T112P72-T108 HydrophobicContact CB-CG2 3.61Å; P72-T108 HydrophobicContact CG-CG2 3.75Å; F104-T108 WeakPolarHBondContact O-CB 3.35Å; F104-T108 PolarHBondContact O-N 3.48Å; F104-T108 PolarHBondContact O-OG1 3.48Å; L105-T108 PolarHBondContact O-N 2.74Å; T108-G110 VanDerWaalsContact C-N 3.32Å; T108-G110 PolarHBondContact O-N 3.41Å; T108-L111 PolarHBondContact O-N 2.78Å; T108-T112 WeakPolarHBondContact O-CG2 3.13Å; T108-T112 PolarHBondContact O-N 3.09Å; T108-T112 VanDerWaalsContact O-N 3.09Å; T108-T112 PolarHBondContact O-OG1 3.22Å
109L96.6Very high95.4Very high0 Ų045.4 Ų45.40%026%0.26CS..Hα-helixtrans-65.1-36.3-178.9-63.7174.7000112.2L105 T112 G113 S114 L116 Y120L105-L109 WeakPolarHBondContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 2.77Å; L109-T112 PolarHBondContact O-OG1 2.98Å; L109-G113 PolarHBondContact O-N 3.09Å; L109-G113 VanDerWaalsContact O-N 3.15Å; L109-S114 PolarHBondContact O-N 2.65Å; L109-L116 HydrophobicContact CD1-CD1 4.15Å; L109-Y120 HydrophobicContact CD1-CE1 4.28Å
110G95.4Very high95.4Very high48 Ų4842.8 Ų42.850%0.49525%0.25SS..Hα-helixtrans-65.9-47.4176.600000112.6R106 T108 T112 G113R106-G110 WeakPolarHBondContact O-CA 3.29Å; R106-G110 PolarHBondContact O-N 2.99Å; T108-G110 VanDerWaalsContact C-N 3.32Å; T108-G110 PolarHBondContact O-N 3.41Å; G110-T112 VanDerWaalsContact C-N 3.33Å; G110-T112 PolarHBondContact O-N 3.45Å; G110-G113 PolarHBondContact O-N 3.25Å
111L95.8Very high95.4Very high147 Ų14742.6 Ų42.677%0.7725%0.248SC*.Hα-helixtrans-66.1-34.1179.1-73.8176.1000112.7V107 T108 G113V107-L111 HydrophobicContact CG1-CD1 3.64Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 VanDerWaalsContact O-CB 3.26Å; V107-L111 WeakPolarHBondContact O-CB 3.45Å; V107-L111 WeakPolarHBondContact O-CG 3.36Å; V107-L111 PolarHBondContact O-N 3.27Å; T108-L111 PolarHBondContact O-N 2.78Å; L111-G113 VanDerWaalsContact C-N 3.31Å
112T96.3Very high95.5Very high91 Ų9142.6 Ų42.656%0.55825%0.248SC*.THydrogen-bonded Turntrans-84.7-4.4178.358.70000113.4T108 L109 G110 S114T108-T112 WeakPolarHBondContact O-CG2 3.13Å; T108-T112 PolarHBondContact O-N 3.09Å; T108-T112 VanDerWaalsContact O-N 3.09Å; T108-T112 PolarHBondContact O-OG1 3.22Å; L109-T112 PolarHBondContact O-OG1 2.98Å; G110-T112 VanDerWaalsContact C-N 3.33Å; G110-T112 PolarHBondContact O-N 3.45Å; T112-S114 WeakPolarHBondContact CB-OG 3.45Å; T112-S114 PolarHBondContact O-N 3.25Å; T112-S114 WeakPolarHBondContact OG1-CB 2.81Å; T112-S114 PolarHBondContact OG1-OG 2.99Å
113G94.6Very high95.5Very high52 Ų5242 Ų4254%0.53625%0.246SC..THydrogen-bonded Turntrans62.825.2-175.100000113.4L109 G110 L111 Q115L109-G113 PolarHBondContact O-N 3.09Å; L109-G113 VanDerWaalsContact O-N 3.15Å; G110-G113 PolarHBondContact O-N 3.25Å; L111-G113 VanDerWaalsContact C-N 3.31Å; G113-Q115 PolarHBondContact O-N 2.79Å; G113-Q115 VanDerWaalsContact O-N 3.12Å
114S95.4Very high95.7Very high27 Ų2739.5 Ų39.519%0.18924%0.235CC..  trans-8093.7-170.6-66.80000112.6L109 T112 H150L109-S114 PolarHBondContact O-N 2.65Å; T112-S114 WeakPolarHBondContact CB-OG 3.45Å; T112-S114 PolarHBondContact O-N 3.25Å; T112-S114 WeakPolarHBondContact OG1-CB 2.81Å; T112-S114 PolarHBondContact OG1-OG 2.99Å; S114-H150 PolarHBondContact O-CE1 2.89Å; S114-H150 PolarHBondContact O-NE2 2.85Å
115Q92.9Very high95.8Very high110 Ų11036.9 Ų36.951%0.51422%0.224SC..  trans-76.8124.3173-63.2-60.3-44.200111.3G113 Q152G113-Q115 PolarHBondContact O-N 2.79Å; G113-Q115 VanDerWaalsContact O-N 3.12Å; Q115-Q152 VanDerWaalsContact OE1-NE2 3.12Å
116L93.3Very high95.8Very high4 Ų440.5 Ų40.52%0.02124%0.241CC..  trans-87.7149.2178.2-57.3-179000110.2L75 S79 L109 F118 Y120 Q152L75-L116 HydrophobicContact CB-CD1 4.38Å; L75-L116 HydrophobicContact CB-CD2 4.27Å; S79-L116 WeakPolarHBondContact OG-CA 3.42Å; L109-L116 HydrophobicContact CD1-CD1 4.15Å; L116-F118 HydrophobicContact CB-CE1 4.47Å; L116-F118 HydrophobicContact CD1-CE2 4.32Å; L116-F118 HydrophobicContact CD1-CZ 4.16Å; L116-Y120 HydrophobicContact CD1-CD1 3.64Å; L116-Y120 HydrophobicContact CD1-CE1 3.87Å; L116-Y120 HydrophobicContact CD1-CG 4.49Å; L116-Q152 HydrophobicContact CB-CB 4.28Å; L116-Q152 HydrophobicContact CB-CG 4.27Å; L116-Q152 WeakPolarHBondContact O-CG 3.45Å; L116-Q152 PolarHBondContact O-NE2 2.81Å
117L91.1Very high95.9Very high97 Ų9740.2 Ų40.251%0.50824%0.244SC..SBendtrans-87.4-7175-66.1-174.6000112.8S79 L90S79-L117 WeakPolarHBondContact O-CD1 3.26Å; S79-L117 PolarHBondContact OG-N 3.13Å; L90-L117 WeakPolarHBondContact CD1-O 3.47Å
118F91.5Very high95.9Very high7 Ų738.5 Ų38.53%0.03123%0.234CC..SBendtrans-129.5153.4-178.460.8-90.2000111L75 V78 L90 V93 L116 Q152L75-F118 HydrophobicContact CB-CZ 4.41Å; L75-F118 HydrophobicContact CD2-CE2 4.18Å; L75-F118 HydrophobicContact CD2-CZ 3.97Å; V78-F118 HydrophobicContact CB-CE1 3.85Å; V78-F118 HydrophobicContact CB-CZ 4.12Å; V78-F118 HydrophobicContact CG1-CD1 4.08Å; V78-F118 HydrophobicContact CG1-CE1 3.58Å; V78-F118 HydrophobicContact CG1-CZ 3.98Å; L90-F118 HydrophobicContact CB-CB 4.05Å; L90-F118 HydrophobicContact CD1-CB 4.26Å; V93-F118 HydrophobicContact CB-CD2 4.32Å; V93-F118 HydrophobicContact CB-CE2 4Å; V93-F118 HydrophobicContact CG2-CD2 3.66Å; V93-F118 HydrophobicContact CG2-CE2 3.5Å; V93-F118 HydrophobicContact CG2-CZ 4.41Å; L116-F118 HydrophobicContact CB-CE1 4.47Å; L116-F118 HydrophobicContact CD1-CE2 4.32Å; L116-F118 HydrophobicContact CD1-CZ 4.16Å; F118-Q152 WeakPolarHBondContact O-CB 3.34Å
119P94.5Very high95.9Very high34 Ų3441 Ų4122%0.22125%0.251CS..  trans-73.4148.5174.727-29.2000112.1C92 V93 Q152 Q154C92-P119 VanDerWaalsContact CA-O 3.25Å; C92-P119 WeakPolarHBondContact CA-O 3.32Å; C92-P119 HydrophobicContact CB-CB 4.46Å; C92-P119 HydrophobicContact CB-CG 4.16Å; V93-P119 PolarHBondContact N-O 3.31Å; P119-Q152 VanDerWaalsContact CA-O 3.29Å; P119-Q152 WeakPolarHBondContact CA-O 3.25Å; P119-Q154 HydrophobicContact CB-CG 3.87Å
120Y97Very high95.9Very high0 Ų044.7 Ų44.70%027%0.271CS..EExtended strand (participates in β ladder)trans-135.8153.1171.674.7-83.2000111.2V93 I95 L105 L109 L116 V122 H150 Q152 E153 Q154V93-Y120 VanDerWaalsContact O-CA 3.29Å; V93-Y120 WeakPolarHBondContact O-CA 3.32Å; I95-Y120 HydrophobicContact CD1-CD2 4.14Å; L105-Y120 HydrophobicContact CD1-CE2 4.47Å; L109-Y120 HydrophobicContact CD1-CE1 4.28Å; L116-Y120 HydrophobicContact CD1-CD1 3.64Å; L116-Y120 HydrophobicContact CD1-CE1 3.87Å; L116-Y120 HydrophobicContact CD1-CG 4.49Å; Y120-V122 HydrophobicContact CD2-CG2 3.91Å; Y120-V122 HydrophobicContact CE2-CG2 3.75Å; Y120-H150 HydrophobicContact CE1-CB 4.13Å; Y120-H150 AromaticContact CE1-ND1 3.84Å; Y120-H150 WeakPolarHBondContact OH-CB 3.36Å; Y120-Q152 HydrophobicContact CD1-CB 4.43Å; Y120-Q152 PolarHBondContact N-O 3.3Å; Y120-E153 HydrophobicContact CD2-CG 4.47Å; Y120-E153 HydrophobicContact CE1-CB 3.91Å; Y120-E153 HydrophobicContact CE2-CB 4.13Å; Y120-E153 HydrophobicContact CE2-CG 3.84Å; Y120-E153 CarbonylContact O-C 3.53Å; Y120-E153 WeakPolarHBondContact O-CA 3.45Å; Y120-E153 PolarHBondContact OH-OE2 3.47Å; Y120-Q154 PolarHBondContact O-N 3.1Å
121A97.7Very high96Very high4 Ų442.4 Ų42.43%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-129.9135.3175.700000109.9V93 I95 Q154V93-A121 PolarHBondContact O-N 3.11Å; I95-A121 PolarHBondContact N-O 3.26Å; A121-Q154 HydrophobicContact CB-CB 4.26Å
122V98.4Very high96.1Very high0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-106.2115.8177.3-172.50000110I95 L101 R102 L105 Y120 E124 G156I95-V122 CarbonylContact O-C 3.53Å; I95-V122 WeakPolarHBondContact O-CA 3.18Å; L101-V122 HydrophobicContact CB-CG1 4.32Å; L101-V122 HydrophobicContact CD2-CG1 4.23Å; L101-V122 HydrophobicContact CG-CG1 4.02Å; R102-V122 HydrophobicContact CB-CB 4.11Å; R102-V122 HydrophobicContact CB-CG1 3.87Å; R102-V122 HydrophobicContact CG-CB 4.17Å; R102-V122 HydrophobicContact CG-CG1 4.49Å; R102-V122 HydrophobicContact CG-CG2 4.43Å; R102-V122 PolarHBondContact NH2-O 3.44Å; L105-V122 HydrophobicContact CD1-CG2 3.76Å; Y120-V122 HydrophobicContact CD2-CG2 3.91Å; Y120-V122 HydrophobicContact CE2-CG2 3.75Å; V122-E124 HydrophobicContact CG1-CG 4.26Å; V122-G156 WeakPolarHBondContact O-CA 3.36Å
123H98.6Very high96.2Very high10 Ų1034 Ų345%0.04620%0.203CC..EExtended strand (participates in β ladder)trans-104.1115.8175.8-48.8-71.6000110D94 I95 Y96 G97 R157 I159D94-H123 IonicContact OD1-NE2 3.84Å; D94-H123 PolarHBondContact OD1-NE2 3.29Å; I95-H123 PolarHBondContact O-N 3.27Å; Y96-H123 WeakPolarHBondContact CA-O 3.39Å; Y96-H123 HydrophobicContact CD1-CB 3.62Å; Y96-H123 AromaticContact CD1-CD2 3.88Å; Y96-H123 HydrophobicContact CE1-CB 3.8Å; Y96-H123 AromaticContact CE1-CD2 3.41Å; Y96-H123 VanDerWaalsContact CE1-CD2 3.41Å; Y96-H123 WeakPolarHBondContact CE1-CD2 3.29Å; Y96-H123 AromaticContact CE1-CG 3.74Å; Y96-H123 AromaticContact CE2-CD2 3.98Å; Y96-H123 HydrophobicContact CG-CB 4.38Å; Y96-H123 AromaticContact CZ-CD2 3.44Å; Y96-H123 VanDerWaalsContact CZ-CD2 3.44Å; G97-H123 PolarHBondContact N-O 3.38Å; G97-H123 VanDerWaalsContact N-O 3.1Å; H123-R157 CarbonylContact C-O 3.55Å; H123-R157 VanDerWaalsContact CA-O 3.29Å; H123-R157 WeakPolarHBondContact CA-O 3.33Å; H123-R157 PolarHBondContact ND1-N 3.08Å; H123-I159 HydrophobicContact CB-CD1 3.9Å
124E98.5Very high96.2Very high1 Ų139.1 Ų39.11%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-98.7123.8-174.6-67-177.1139.500111.5G97 R99 G100 L101 R102 V122 R157 T158 I159G97-E124 CarbonylContact O-C 2.91Å; G97-E124 WeakPolarHBondContact O-CA 3.29Å; R99-E124 VanDerWaalsContact CD-OE2 3.3Å; R99-E124 WeakPolarHBondContact CD-OE2 3.39Å; R99-E124 HydrophobicContact CG-CB 4.45Å; R99-E124 IonicContact CZ-OE2 3.49Å; R99-E124 IonicContact NE-OE2 3.72Å; R99-E124 IonicContact NH1-OE2 3.55Å; R99-E124 PolarHBondContact NH1-OE2 3.05Å; G100-E124 PolarHBondContact N-OE1 3.15Å; L101-E124 PolarHBondContact N-OE1 2.9Å; R102-E124 HydrophobicContact CB-CG 4.42Å; R102-E124 WeakPolarHBondContact CB-OE1 3.18Å; R102-E124 IonicContact CZ-OE2 3.62Å; R102-E124 PolarHBondContact N-OE1 3.19Å; R102-E124 IonicContact NH1-OE1 2.79Å; R102-E124 IonicContact NH1-OE2 3.83Å; R102-E124 PolarHBondContact NH1-OE2 2.72Å; R102-E124 IonicContact NH2-OE2 3.56Å; V122-E124 HydrophobicContact CG1-CG 4.26Å; E124-R157 PolarHBondContact N-O 3.33Å; E124-T158 CarbonylContact O-C 3.57Å; E124-T158 WeakPolarHBondContact O-CA 3.24Å; E124-I159 PolarHBondContact O-N 2.81Å
125L98.6Very high96.1Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-76.7130.5171-7367.7000108.6G97 R99 P127 I159 Y168 L170 A180 F190G97-L125 WeakPolarHBondContact O-CD1 3.25Å; G97-L125 PolarHBondContact O-N 3.47Å; R99-L125 PolarHBondContact N-O 3.34Å; L125-P127 VanDerWaalsContact O-CD 3.23Å; L125-P127 WeakPolarHBondContact O-CD 3.38Å; L125-I159 HydrophobicContact CD1-CD1 4.41Å; L125-Y168 HydrophobicContact CB-CD1 4.46Å; L125-Y168 HydrophobicContact CD2-CD2 4.41Å; L125-Y168 HydrophobicContact CD2-CG 4.28Å; L125-Y168 HydrophobicContact CG-CD1 4.45Å; L125-Y168 HydrophobicContact CG-CG 4.43Å; L125-L170 HydrophobicContact CD1-CD2 3.79Å; L125-L170 HydrophobicContact CD2-CD2 4.09Å; L125-L170 HydrophobicContact CG-CD2 4Å; L125-A180 HydrophobicContact CD2-CB 3.48Å; L125-A180 VanDerWaalsContact CD2-CB 3.48Å; L125-F190 HydrophobicContact CB-CD2 4.49Å; L125-F190 HydrophobicContact CB-CE1 4.15Å; L125-F190 HydrophobicContact CB-CE2 4.01Å; L125-F190 HydrophobicContact CB-CZ 3.81Å; L125-F190 HydrophobicContact CD2-CB 4.28Å; L125-F190 HydrophobicContact CD2-CD1 3.75Å; L125-F190 HydrophobicContact CD2-CD2 4.09Å; L125-F190 HydrophobicContact CD2-CE1 4.06Å; L125-F190 HydrophobicContact CD2-CE2 4.38Å; L125-F190 HydrophobicContact CD2-CG 3.77Å; L125-F190 HydrophobicContact CD2-CZ 4.36Å
126Q97.6Very high96Very high77 Ų7741.3 Ų41.336%0.3622%0.223SC..  trans-80110.5177.4-175.96350.700109.5I159 Y168Q126-I159 PolarHBondContact N-O 3.41Å; Q126-Y168 VanDerWaalsContact O-CE1 3.27Å; Q126-Y168 WeakPolarHBondContact O-CE1 3.4Å; Q126-Y168 PolarHBondContact O-OH 2.93Å
127P97.3Very high96Very high33 Ų3344.9 Ų44.921%0.21424%0.239CC..  trans-70.8160.4177.931.3-35.7000111.7L125 Q131 P188 F190L125-P127 VanDerWaalsContact O-CD 3.23Å; L125-P127 WeakPolarHBondContact O-CD 3.38Å; P127-Q131 VanDerWaalsContact CA-OE1 3.25Å; P127-P188 HydrophobicContact CB-CB 3.52Å; P127-P188 HydrophobicContact CB-CG 3.87Å; P127-P188 HydrophobicContact CG-CB 4.42Å; P127-P188 HydrophobicContact CG-CG 4.43Å; P127-F190 HydrophobicContact CB-CZ 4.13Å
128T96.8Very high96Very high28 Ų2844.4 Ų44.417%0.17224%0.237CC..  trans-108.9149.6170.757.70000111.1D130 Q131 L161 R182T128-D130 WeakPolarHBondContact CB-OD1 3.48Å; T128-D130 PolarHBondContact O-N 2.86Å; T128-D130 VanDerWaalsContact O-N 3.15Å; T128-D130 PolarHBondContact OG1-OD1 3.44Å; T128-Q131 WeakPolarHBondContact O-CB 3.37Å; T128-Q131 WeakPolarHBondContact O-CG 3.39Å; T128-Q131 PolarHBondContact O-N 3.1Å; T128-Q131 VanDerWaalsContact O-N 3.13Å; T128-Q131 PolarHBondContact OG1-OE1 2.86Å; T128-L161 HydrophobicContact CG2-CD2 4.05Å; T128-R182 WeakPolarHBondContact OG1-CD 3.43Å; T128-R182 PolarHBondContact OG1-NH1 2.75Å
129P95.8Very high95.9Very high92 Ų9246.9 Ų46.960%0.59726%0.255SS*.G310 helixtrans-62.4-22.2-174.1-25.835.7000115.3Q131 S132 Q137P129-Q131 PolarHBondContact O-N 2.78Å; P129-S132 VanDerWaalsContact O-O 3.13Å; P129-Q137 PolarHBondContact O-NE2 3.28Å; P129-Q137 VanDerWaalsContact O-NE2 3.12Å
130D97.1Very high95.5Very high77 Ų7751.5 Ų51.541%0.41228%0.278SS..G310 helixtrans-76.3-3.317861.5-32.2000113.7T128 R182 F184 L261T128-D130 WeakPolarHBondContact CB-OD1 3.48Å; T128-D130 PolarHBondContact O-N 2.86Å; T128-D130 VanDerWaalsContact O-N 3.15Å; T128-D130 PolarHBondContact OG1-OD1 3.44Å; D130-R182 IonicContact OD1-NH1 3.43Å; D130-R182 PolarHBondContact OD1-NH1 2.91Å; D130-R182 VanDerWaalsContact OD1-NH1 3.14Å; D130-R182 IonicContact OD2-CZ 2.76Å; D130-R182 IonicContact OD2-NH1 3.02Å; D130-R182 PolarHBondContact OD2-NH1 2.85Å; D130-F184 WeakPolarHBondContact O-CD2 3.26Å; D130-L261 VanDerWaalsContact O-CD1 3.24Å; D130-L261 WeakPolarHBondContact O-CD1 3.35Å
131Q98Very high95Very high0 Ų058.5 Ų58.50%031%0.31CS..G310 helixtrans-81.4-12.6179.5-64.8-172.5-10800114.7P127 T128 P129 R182 F184 H185 P188 S189 L261P127-Q131 VanDerWaalsContact CA-OE1 3.25Å; T128-Q131 WeakPolarHBondContact O-CB 3.37Å; T128-Q131 WeakPolarHBondContact O-CG 3.39Å; T128-Q131 PolarHBondContact O-N 3.1Å; T128-Q131 VanDerWaalsContact O-N 3.13Å; T128-Q131 PolarHBondContact OG1-OE1 2.86Å; P129-Q131 PolarHBondContact O-N 2.78Å; Q131-R182 HydrophobicContact CG-CB 4.08Å; Q131-R182 HydrophobicContact CG-CG 4.32Å; Q131-F184 WeakPolarHBondContact O-CA 3.48Å; Q131-H185 PolarHBondContact O-N 3.41Å; Q131-P188 HydrophobicContact CB-CB 3.92Å; Q131-P188 HydrophobicContact CB-CG 4.39Å; Q131-S189 PolarHBondContact NE2-O 2.81Å; Q131-L261 HydrophobicContact CB-CD1 4.25Å; Q131-L261 HydrophobicContact CG-CD1 3.84Å
132S97.8Very high94.5Very high7 Ų762.7 Ų62.75%0.04933%0.33CS..SBendtrans-158.6165.8-179.969.20000111.5P129 H185P129-S132 VanDerWaalsContact O-O 3.13Å; S132-H185 VanDerWaalsContact CA-O 3.26Å; S132-H185 WeakPolarHBondContact CA-O 3.35Å; S132-H185 VanDerWaalsContact CB-O 3.23Å; S132-H185 WeakPolarHBondContact CB-O 3.43Å
133P97.1Very high94Very high55 Ų5564.1 Ų64.136%0.35734%0.339SS..  trans-54.4161.2159.3-22.534.9000111.7E135 G136 F184P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 VanDerWaalsContact CB-OE2 3.24Å; P133-E135 WeakPolarHBondContact CB-OE2 3.41Å; P133-E135 PolarHBondContact O-N 2.77Å; P133-G136 PolarHBondContact O-N 2.98Å; P133-F184 HydrophobicContact CG-CZ 4.35Å
134E94.4Very high93.2Very high159 Ų15966.8 Ų66.874%0.74336%0.356SS*.G310 helixtrans-60.8-37.8-178.3-172175.9176.700111.5G136 Q137E134-G136 PolarHBondContact O-N 2.98Å; E134-Q137 WeakPolarHBondContact O-CB 3.4Å; E134-Q137 PolarHBondContact O-N 3.01Å; E134-Q137 VanDerWaalsContact O-N 3.09Å
135E93.6Very high92Very high172 Ų17268.5 Ų68.580%0.80437%0.365SS*.G310 helixtrans-65-22.2178.1-54.481.3-178.300112.9P133 Q137P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 VanDerWaalsContact CB-OE2 3.24Å; P133-E135 WeakPolarHBondContact CB-OE2 3.41Å; P133-E135 PolarHBondContact O-N 2.77Å; E135-Q137 VanDerWaalsContact C-N 3.31Å
136G92.2Very high90.8Very high11 Ų1174.1 Ų74.111%0.11340%0.403CS..G310 helixtrans-79.4-11.7176.800000114.6P133 E134 R186 I187 P188P133-G136 PolarHBondContact O-N 2.98Å; E134-G136 PolarHBondContact O-N 2.98Å; G136-R186 WeakPolarHBondContact CA-O 3.24Å; G136-I187 WeakPolarHBondContact O-CG2 3.48Å; G136-P188 WeakPolarHBondContact O-CD 3.33Å
137Q92.6Very high89.9Confident78 Ų7872.3 Ų72.336%0.36440%0.399SS..SBendtrans-86.2132-174.5-59-178.517.700110.7P129 E134 E135P129-Q137 PolarHBondContact O-NE2 3.28Å; P129-Q137 VanDerWaalsContact O-NE2 3.12Å; E134-Q137 WeakPolarHBondContact O-CB 3.4Å; E134-Q137 PolarHBondContact O-N 3.01Å; E134-Q137 VanDerWaalsContact O-N 3.09Å; E135-Q137 VanDerWaalsContact C-N 3.31Å
138L91.9Very high89.4Confident88 Ų8875.9 Ų75.946%0.46142%0.422SS..PPolyproline II helixtrans-69.8138.4172.3-72.5-178.9000110.8L63 R99 M142 T143L63-L138 HydrophobicContact CD1-CD1 3.74Å; R99-L138 WeakPolarHBondContact O-CD1 3.4Å; L138-M142 HydrophobicContact CB-CB 4.28Å; L138-M142 HydrophobicContact CD2-CB 4.25Å; L138-T143 HydrophobicContact CB-CG2 3.71Å; L138-T143 HydrophobicContact CD1-CG2 4.16Å
139S88.7Confident89.2Confident59 Ų5978.5 Ų78.541%0.41344%0.44SS..PPolyproline II helixtrans-63.2158.8172.674.40000111.5E141 M142 T143S139-E141 PolarHBondContact O-N 3.12Å; S139-M142 PolarHBondContact O-N 3.38Å; S139-M142 WeakPolarHBondContact OG-CG 3.34Å; S139-M142 PolarHBondContact OG-N 3.01Å; S139-T143 PolarHBondContact O-N 2.95Å; S139-T143 PolarHBondContact O-OG1 3.2Å
140L86.4Confident89.1Confident131 Ų13174.8 Ų74.869%0.68641%0.414SS*.Hα-helixtrans-57.2-38.1176.6-173.963.7000111.5M142 T143 V144L140-M142 PolarHBondContact O-N 3.2Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-N 2.81Å; L140-T143 VanDerWaalsContact O-N 3.11Å; L140-T143 PolarHBondContact O-OG1 3.35Å; L140-T143 VanDerWaalsContact O-OG1 3.13Å; L140-V144 HydrophobicContact CD1-CG2 3.66Å; L140-V144 HydrophobicContact CG-CG2 3.73Å; L140-V144 WeakPolarHBondContact O-CB 3.43Å; L140-V144 VanDerWaalsContact O-CG2 3.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 2.79Å
141E87.1Confident89Confident146 Ų14675.4 Ų75.468%0.68242%0.423SS*.Hα-helixtrans-62.4-30.3177.4-62.7-179.9175.600113.3K103 S139K103-E141 PolarHBondContact NZ-O 3.13Å; S139-E141 PolarHBondContact O-N 3.12Å
142M87.1Confident88.8Confident93 Ų9377.4 Ų77.446%0.45843%0.432SS..Hα-helixtrans-81.7-18.3177.8-64.6-56.3151.500113K103 L138 S139 L140K103-M142 WeakPolarHBondContact CD-O 3.44Å; L138-M142 HydrophobicContact CB-CB 4.28Å; L138-M142 HydrophobicContact CD2-CB 4.25Å; S139-M142 PolarHBondContact O-N 3.38Å; S139-M142 WeakPolarHBondContact OG-CG 3.34Å; S139-M142 PolarHBondContact OG-N 3.01Å; L140-M142 PolarHBondContact O-N 3.2Å
143T85.9Confident88.7Confident29 Ų2978 Ų7818%0.17843%0.434CS..Hα-helixtrans-107-20.3-178.657.10000113.6R99 L138 S139 L140R99-T143 HydrophobicContact CB-CG2 3.87Å; L138-T143 HydrophobicContact CB-CG2 3.71Å; L138-T143 HydrophobicContact CD1-CG2 4.16Å; S139-T143 PolarHBondContact O-N 2.95Å; S139-T143 PolarHBondContact O-OG1 3.2Å; L140-T143 WeakPolarHBondContact CA-OG1 3.4Å; L140-T143 PolarHBondContact O-N 2.81Å; L140-T143 VanDerWaalsContact O-N 3.11Å; L140-T143 PolarHBondContact O-OG1 3.35Å; L140-T143 VanDerWaalsContact O-OG1 3.13Å
144V83.3Confident88.7Confident67 Ų6780.1 Ų80.141%0.40644%0.439SS..  trans-77.4125168.6173.80000108.8L140L140-V144 HydrophobicContact CD1-CG2 3.66Å; L140-V144 HydrophobicContact CG-CG2 3.73Å; L140-V144 WeakPolarHBondContact O-CB 3.43Å; L140-V144 VanDerWaalsContact O-CG2 3.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 2.79Å
145D71.9Confident88.7Confident37 Ų3778 Ų7820%0.19844%0.439CS..  trans-109.399.4178.1-167.5-4.6000110.4R102 R106 S147R102-D145 WeakPolarHBondContact CD-OD2 3.45Å; R102-D145 WeakPolarHBondContact CG-OD2 3.31Å; R106-D145 WeakPolarHBondContact CD-OD2 3.35Å; R106-D145 IonicContact CZ-OD2 2.78Å; R106-D145 IonicContact NE-OD2 2.71Å; R106-D145 PolarHBondContact NE-OD2 3.13Å; R106-D145 IonicContact NH1-OD1 3.04Å; R106-D145 PolarHBondContact NH1-OD1 3.49Å; R106-D145 VanDerWaalsContact NH1-OD1 3.13Å; R106-D145 IonicContact NH1-OD2 2.69Å; R106-D145 PolarHBondContact NH1-OD2 2.75Å; D145-S147 WeakPolarHBondContact OD1-CB 3.26Å; D145-S147 PolarHBondContact OD1-N 2.86Å; D145-S147 PolarHBondContact OD1-OG 2.9Å
146C74.1Confident88.8Confident117 Ų11771.2 Ų71.279%0.79142%0.415SS*.  trans-94.84.3172.2-62.10000112.3
147S78.8Confident89Confident39 Ų3976.1 Ų76.127%0.27343%0.431SS..SBendtrans-74.9147.6-176.6-33.90000109.8R106 D145R106-S147 PolarHBondContact NH1-O 2.81Å; D145-S147 WeakPolarHBondContact OD1-CB 3.26Å; D145-S147 PolarHBondContact OD1-N 2.86Å; D145-S147 PolarHBondContact OD1-OG 2.9Å
148P87.2Confident89.2Confident109 Ų10975.5 Ų75.571%0.70843%0.432SS*.PPolyproline II helixtrans-59.8142.5168.526.9-33.1000109.5
149P92.4Very high89.5Confident83 Ų8371.7 Ų71.754%0.53941%0.412SS..PPolyproline II helixtrans-61.5147.6174.927-33.5000110.4E153P149-E153 HydrophobicContact CB-CB 4.36Å
150H94Very high90Very high13 Ų1373 Ų736%0.0642%0.419CS..PPolyproline II helixtrans-63.1148.6170.3-169.3-96.6000110S114 Y120 Q152 E153S114-H150 PolarHBondContact O-CE1 2.89Å; S114-H150 PolarHBondContact O-NE2 2.85Å; Y120-H150 HydrophobicContact CE1-CB 4.13Å; Y120-H150 AromaticContact CE1-ND1 3.84Å; Y120-H150 WeakPolarHBondContact OH-CB 3.36Å; H150-Q152 PolarHBondContact CE1-OE1 3.27Å; H150-Q152 PolarHBondContact ND1-OE1 3Å; H150-Q152 VanDerWaalsContact ND1-OE1 3.08Å; H150-Q152 PolarHBondContact O-N 3.41Å; H150-Q152 VanDerWaalsContact O-N 3.08Å; H150-E153 HydrophobicContact CB-CB 4.01Å; H150-E153 PolarHBondContact N-OE2 2.95Å; H150-E153 VanDerWaalsContact O-CB 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.49Å; H150-E153 PolarHBondContact O-N 2.83Å
151P93.8Very high90.5Very high91 Ų9168.5 Ų68.559%0.59140%0.396SS*.THydrogen-bonded Turntrans-55.8-32.2-174.5-30.938.2000115.6
152Q94.8Very high91Very high42 Ų4265.5 Ų65.520%0.19638%0.384CS..THydrogen-bonded Turntrans-96.54.8176.2-63.380.722.300114.2Q115 L116 F118 P119 Y120 H150 Q154Q115-Q152 VanDerWaalsContact OE1-NE2 3.12Å; L116-Q152 HydrophobicContact CB-CB 4.28Å; L116-Q152 HydrophobicContact CB-CG 4.27Å; L116-Q152 WeakPolarHBondContact O-CG 3.45Å; L116-Q152 PolarHBondContact O-NE2 2.81Å; F118-Q152 WeakPolarHBondContact O-CB 3.34Å; P119-Q152 VanDerWaalsContact CA-O 3.29Å; P119-Q152 WeakPolarHBondContact CA-O 3.25Å; Y120-Q152 HydrophobicContact CD1-CB 4.43Å; Y120-Q152 PolarHBondContact N-O 3.3Å; H150-Q152 PolarHBondContact CE1-OE1 3.27Å; H150-Q152 PolarHBondContact ND1-OE1 3Å; H150-Q152 VanDerWaalsContact ND1-OE1 3.08Å; H150-Q152 PolarHBondContact O-N 3.41Å; H150-Q152 VanDerWaalsContact O-N 3.08Å; Q152-Q154 PolarHBondContact O-N 3.44Å
153E96.1Very high91.4Very high18 Ų1867 Ų678%0.08440%0.399CS..EExtended strand (participates in β ladder)trans-78.1122.3176.1-170-178.1157.500110.8R102 R106 Y120 P149 H150R102-E153 WeakPolarHBondContact CD-OE1 3.4Å; R102-E153 IonicContact NE-OE1 3.69Å; R106-E153 WeakPolarHBondContact CG-OE2 3.06Å; R106-E153 IonicContact CZ-OE1 3.88Å; R106-E153 VanDerWaalsContact CZ-OE1 3.32Å; R106-E153 IonicContact CZ-OE2 3.52Å; R106-E153 VanDerWaalsContact NE-CD 3.31Å; R106-E153 IonicContact NE-OE1 2.85Å; R106-E153 PolarHBondContact NE-OE1 3.42Å; R106-E153 VanDerWaalsContact NE-OE1 3.09Å; R106-E153 IonicContact NE-OE2 3.63Å; R106-E153 PolarHBondContact NE-OE2 3.3Å; R106-E153 IonicContact NH2-OE1 3.39Å; R106-E153 PolarHBondContact NH2-OE1 3.34Å; R106-E153 IonicContact NH2-OE2 3.92Å; R106-E153 PolarHBondContact NH2-OE2 3.17Å; Y120-E153 HydrophobicContact CD2-CG 4.47Å; Y120-E153 HydrophobicContact CE1-CB 3.91Å; Y120-E153 HydrophobicContact CE2-CB 4.13Å; Y120-E153 HydrophobicContact CE2-CG 3.84Å; Y120-E153 CarbonylContact O-C 3.53Å; Y120-E153 WeakPolarHBondContact O-CA 3.45Å; Y120-E153 PolarHBondContact OH-OE2 3.47Å; P149-E153 HydrophobicContact CB-CB 4.36Å; H150-E153 HydrophobicContact CB-CB 4.01Å; H150-E153 PolarHBondContact N-OE2 2.95Å; H150-E153 VanDerWaalsContact O-CB 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.49Å; H150-E153 PolarHBondContact O-N 2.83Å
154Q95.8Very high91.7Very high100 Ų10070.9 Ų70.947%0.46743%0.427SS..EExtended strand (participates in β ladder)trans-89.2156.8169.7-64.9-64.4-23.200110.6P119 Y120 A121 Q152 G156P119-Q154 HydrophobicContact CB-CG 3.87Å; Y120-Q154 PolarHBondContact O-N 3.1Å; A121-Q154 HydrophobicContact CB-CB 4.26Å; Q152-Q154 PolarHBondContact O-N 3.44Å; Q154-G156 PolarHBondContact O-N 2.88Å; Q154-G156 VanDerWaalsContact O-N 3.09Å
155P94.8Very high92.1Very high115 Ų11568.8 Ų68.875%0.74742%0.418SS*.PPolyproline II helixtrans-53.4118.4178.6-27.935.9000113.2
156G95.5Very high93.3Very high30 Ų3067.9 Ų67.931%0.30941%0.413SS..PPolyproline II helixtrans-78.1172.1172.300000113.4V122 Q154V122-G156 WeakPolarHBondContact O-CA 3.36Å; Q154-G156 PolarHBondContact O-N 2.88Å; Q154-G156 VanDerWaalsContact O-N 3.09Å
157R97Very high94.5Very high114 Ų11462.4 Ų62.443%0.4338%0.377SS..  trans-114.3151.5171.2-70.2-177.5-70.61522.4110.3H123 E124 I159 L170H123-R157 CarbonylContact C-O 3.55Å; H123-R157 VanDerWaalsContact CA-O 3.29Å; H123-R157 WeakPolarHBondContact CA-O 3.33Å; H123-R157 PolarHBondContact ND1-N 3.08Å; E124-R157 PolarHBondContact N-O 3.33Å; R157-I159 HydrophobicContact CB-CG1 4.29Å; R157-L170 PolarHBondContact NH1-O 2.62Å; R157-L170 PolarHBondContact NH2-O 2.74Å
158T97Very high95.4Very high64 Ų6460.6 Ų60.639%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-96.5125.1156.5-64.20000107.3R99 E124 P160R99-T158 VanDerWaalsContact CZ-CG2 3.49Å; R99-T158 PolarHBondContact NH1-OG1 3.48Å; R99-T158 VanDerWaalsContact NH1-OG1 3.08Å; R99-T158 PolarHBondContact NH2-OG1 3.17Å; R99-T158 VanDerWaalsContact NH2-OG1 3.13Å; E124-T158 CarbonylContact O-C 3.57Å; E124-T158 WeakPolarHBondContact O-CA 3.24Å; T158-P160 WeakPolarHBondContact O-CD 3.24Å
159I98.4Very high96Very high8 Ų859.2 Ų59.24%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-107106.3-175.9-54176.6000107.9Y96 H123 E124 L125 Q126 R157 Y168 L170Y96-I159 HydrophobicContact CD1-CD1 4.06Å; Y96-I159 HydrophobicContact CE1-CD1 4.24Å; H123-I159 HydrophobicContact CB-CD1 3.9Å; E124-I159 PolarHBondContact O-N 2.81Å; L125-I159 HydrophobicContact CD1-CD1 4.41Å; Q126-I159 PolarHBondContact N-O 3.41Å; R157-I159 HydrophobicContact CB-CG1 4.29Å; I159-Y168 HydrophobicContact CG2-CD1 4.25Å; I159-Y168 WeakPolarHBondContact O-CD1 3.34Å; I159-L170 HydrophobicContact CD1-CD2 3.78Å; I159-L170 HydrophobicContact CG2-CD2 4.49Å
160P98.1Very high96.2Very high88 Ų8855.3 Ų55.357%0.57133%0.325SS*.  trans-77.1160.6176.233.3-35.2000111.4T158 D162 Y168T158-P160 WeakPolarHBondContact O-CD 3.24Å; P160-D162 PolarHBondContact O-N 3.03Å; P160-Y168 VanDerWaalsContact C-CD1 3.47Å; P160-Y168 WeakPolarHBondContact O-CD1 3.47Å
161L98.2Very high96.4Very high35 Ų3555.7 Ų55.718%0.18333%0.326CS..  trans-66.9125.1168.8-17967.4000109.2T128 V163 Y168 R182T128-L161 HydrophobicContact CG2-CD2 4.05Å; L161-V163 PolarHBondContact O-N 3.15Å; L161-Y168 VanDerWaalsContact CA-CE1 3.46Å; L161-Y168 HydrophobicContact CB-CD1 4.42Å; L161-Y168 HydrophobicContact CB-CE1 3.7Å; L161-Y168 HydrophobicContact CD1-CD2 4.17Å; L161-Y168 HydrophobicContact CD1-CE1 4.31Å; L161-Y168 HydrophobicContact CD1-CE2 3.67Å; L161-R182 HydrophobicContact CD1-CG 4.48Å
162D97.3Very high96.5Very high83 Ų8357.3 Ų57.344%0.44433%0.326SS..BIsolated β-bridgetrans-75.9105.5162.2172.113.6000108.1P160 S164 G165 D166 C167P160-D162 PolarHBondContact O-N 3.03Å; D162-S164 PolarHBondContact O-N 3.27Å; D162-S164 WeakPolarHBondContact OD1-CB 3.45Å; D162-S164 PolarHBondContact OD1-N 3Å; D162-G165 PolarHBondContact O-N 2.85Å; D162-G165 PolarHBondContact OD1-N 2.9Å; D162-G165 PolarHBondContact OD2-N 3.08Å; D162-D166 VanDerWaalsContact O-CA 3.28Å; D162-D166 WeakPolarHBondContact O-CA 3Å; D162-D166 PolarHBondContact O-N 2.73Å; D162-C167 WeakPolarHBondContact CB-O 3.43Å; D162-C167 PolarHBondContact N-O 3.06Å; D162-C167 PolarHBondContact O-N 3.14Å
163V94Very high96.5Very high126 Ų12658.4 Ų58.476%0.76433%0.333SS*.THydrogen-bonded Turntrans-62.4-31.9-177.9-177.70000111.8L161L161-V163 PolarHBondContact O-N 3.15Å
164S93.1Very high96.3Very high110 Ų11065.3 Ų65.377%0.76937%0.371SS*.THydrogen-bonded Turntrans-73.5-42.1179.8-174.90000111.5D162D162-S164 PolarHBondContact O-N 3.27Å; D162-S164 WeakPolarHBondContact OD1-CB 3.45Å; D162-S164 PolarHBondContact OD1-N 3Å
165G92.6Very high96.1Very high22 Ų2265.1 Ų65.123%0.22737%0.368CS..THydrogen-bonded Turntrans-79.9-20.7177.500000113.7D162 C167D162-G165 PolarHBondContact O-N 2.85Å; D162-G165 PolarHBondContact OD1-N 2.9Å; D162-G165 PolarHBondContact OD2-N 3.08Å; G165-C167 VanDerWaalsContact C-N 3.27Å
166D96.9Very high96.2Very high18 Ų1859.8 Ų59.810%0.09633%0.333CS..THydrogen-bonded Turntrans5247.1-166.4-173.934.8000111.3D162 R182 G262 E263 G264D162-D166 VanDerWaalsContact O-CA 3.28Å; D162-D166 WeakPolarHBondContact O-CA 3Å; D162-D166 PolarHBondContact O-N 2.73Å; D166-R182 IonicContact OD1-CZ 3.29Å; D166-R182 IonicContact OD1-NE 3.44Å; D166-R182 PolarHBondContact OD1-NE 2.91Å; D166-R182 IonicContact OD1-NH2 3.48Å; D166-R182 PolarHBondContact OD1-NH2 3.45Å; D166-G262 VanDerWaalsContact OD2-CA 3.25Å; D166-G262 WeakPolarHBondContact OD2-CA 3.4Å; D166-E263 PolarHBondContact OD2-N 3.4Å; D166-E263 VanDerWaalsContact OD2-N 3.09Å; D166-G264 PolarHBondContact OD2-N 3.06Å
167C98.1Very high96.3Very high3 Ų359.5 Ų59.52%0.0233%0.325CS..BIsolated β-bridgetrans-155.4168.4-177700000113D162 G165 A180 L268D162-C167 WeakPolarHBondContact CB-O 3.43Å; D162-C167 PolarHBondContact N-O 3.06Å; D162-C167 PolarHBondContact O-N 3.14Å; G165-C167 VanDerWaalsContact C-N 3.27Å; C167-A180 CarbonylContact C-O 3.59Å; C167-A180 WeakPolarHBondContact CA-O 3.27Å; C167-A180 WeakPolarHBondContact CB-O 3.37Å; C167-L268 HydrophobicContact CB-CD1 3.66Å
168Y98.7Very high96.4Very high0 Ų054 Ų540%031%0.305CS..EExtended strand (participates in β ladder)trans-110.1124173-55.4-97.3000108.9L125 Q126 I159 P160 L161 L170 K179 A180 R182 F190L125-Y168 HydrophobicContact CB-CD1 4.46Å; L125-Y168 HydrophobicContact CD2-CD2 4.41Å; L125-Y168 HydrophobicContact CD2-CG 4.28Å; L125-Y168 HydrophobicContact CG-CD1 4.45Å; L125-Y168 HydrophobicContact CG-CG 4.43Å; Q126-Y168 VanDerWaalsContact O-CE1 3.27Å; Q126-Y168 WeakPolarHBondContact O-CE1 3.4Å; Q126-Y168 PolarHBondContact O-OH 2.93Å; I159-Y168 HydrophobicContact CG2-CD1 4.25Å; I159-Y168 WeakPolarHBondContact O-CD1 3.34Å; P160-Y168 VanDerWaalsContact C-CD1 3.47Å; P160-Y168 WeakPolarHBondContact O-CD1 3.47Å; L161-Y168 VanDerWaalsContact CA-CE1 3.46Å; L161-Y168 HydrophobicContact CB-CD1 4.42Å; L161-Y168 HydrophobicContact CB-CE1 3.7Å; L161-Y168 HydrophobicContact CD1-CD2 4.17Å; L161-Y168 HydrophobicContact CD1-CE1 4.31Å; L161-Y168 HydrophobicContact CD1-CE2 3.67Å; Y168-L170 PolarHBondContact O-N 3.27Å; Y168-K179 CarbonylContact O-C 3.59Å; Y168-K179 WeakPolarHBondContact O-CA 3.48Å; Y168-K179 WeakPolarHBondContact O-CB 3.19Å; Y168-A180 HydrophobicContact CD2-CB 4.21Å; Y168-A180 PolarHBondContact N-O 3.36Å; Y168-A180 PolarHBondContact O-N 3.42Å; Y168-R182 HydrophobicContact CE2-CG 3.66Å; Y168-F190 HydrophobicContact CD2-CD1 4.3Å; Y168-F190 HydrophobicContact CD2-CE1 4.24Å; Y168-F190 HydrophobicContact CE1-CE1 4.47Å; Y168-F190 AromaticContact CE2-CD1 3.9Å; Y168-F190 HydrophobicContact CE2-CD1 3.9Å; Y168-F190 AromaticContact CE2-CE1 3.53Å; Y168-F190 HydrophobicContact CE2-CE1 3.53Å; Y168-F190 AromaticContact CZ-CE1 3.68Å
169L98.6Very high96.5Very high81 Ų8154 Ų5442%0.42430%0.299SS..EExtended strand (participates in β ladder)trans-81.2109.1171.218063.2000109.7V177 K179L169-V177 HydrophobicContact CD1-CG1 4.14Å; L169-K179 HydrophobicContact CD1-CG 4.1Å
170L98.5Very high96.5Very high0 Ų053.6 Ų53.60%030%0.297CS..EExtended strand (participates in β ladder)trans-79.1-59.6179.8-56.3-164000110.1F59 Y96 L125 R157 I159 Y168 V178 A180 F192F59-L170 HydrophobicContact CD1-CD1 3.76Å; F59-L170 HydrophobicContact CE1-CD1 3.81Å; Y96-L170 HydrophobicContact CD1-CB 3.88Å; Y96-L170 HydrophobicContact CD1-CD1 4.04Å; Y96-L170 HydrophobicContact CD1-CD2 4.19Å; Y96-L170 HydrophobicContact CD1-CG 4.26Å; Y96-L170 HydrophobicContact CE1-CB 3.86Å; Y96-L170 HydrophobicContact CG-CD1 4.13Å; L125-L170 HydrophobicContact CD1-CD2 3.79Å; L125-L170 HydrophobicContact CD2-CD2 4.09Å; L125-L170 HydrophobicContact CG-CD2 4Å; R157-L170 PolarHBondContact NH1-O 2.62Å; R157-L170 PolarHBondContact NH2-O 2.74Å; I159-L170 HydrophobicContact CD1-CD2 3.78Å; I159-L170 HydrophobicContact CG2-CD2 4.49Å; Y168-L170 PolarHBondContact O-N 3.27Å; L170-V178 HydrophobicContact CB-CB 4.48Å; L170-V178 HydrophobicContact CB-CG1 4.32Å; L170-V178 WeakPolarHBondContact CB-O 2.91Å; L170-V178 HydrophobicContact CD1-CG1 4.09Å; L170-V178 HydrophobicContact CG-CG1 4.47Å; L170-V178 PolarHBondContact N-O 2.79Å; L170-A180 HydrophobicContact CD1-CB 4.31Å; L170-A180 HydrophobicContact CD2-CB 4.16Å; L170-A180 HydrophobicContact CG-CB 4.34Å; L170-F192 HydrophobicContact CD1-CD1 3.79Å; L170-F192 HydrophobicContact CD1-CE1 3.95Å
171F97.1Very high96.6Very high21 Ų2149.4 Ų49.49%0.09227%0.27CS..EExtended strand (participates in β ladder)trans-157.8162.7170.966.8-84.2000110.6W33 K57 F59 Y96 V178W33-F171 HydrophobicContact CH2-CE2 4.1Å; W33-F171 AromaticContact CH2-CZ 3.64Å; W33-F171 HydrophobicContact CH2-CZ 3.64Å; W33-F171 HydrophobicContact CZ2-CE2 4.42Å; W33-F171 HydrophobicContact CZ2-CZ 4.01Å; W33-F171 AromaticContact CZ3-CZ 4Å; W33-F171 HydrophobicContact CZ3-CZ 4Å; K57-F171 HydrophobicContact CD-CD1 4.41Å; K57-F171 HydrophobicContact CD-CE1 3.57Å; K57-F171 HydrophobicContact CD-CE2 4.31Å; K57-F171 HydrophobicContact CD-CZ 3.49Å; K57-F171 VanDerWaalsContact CD-CZ 3.49Å; F59-F171 HydrophobicContact CE1-CE1 4.11Å; F59-F171 AromaticContact CZ-CE1 3.85Å; F59-F171 HydrophobicContact CZ-CE1 3.85Å; Y96-F171 HydrophobicContact CE1-CD1 4.46Å; Y96-F171 HydrophobicContact CE2-CD1 4.25Å; Y96-F171 HydrophobicContact CE2-CE1 4.48Å; Y96-F171 AromaticContact CZ-CD1 3.85Å; F171-V178 HydrophobicContact CD1-CB 3.99Å; F171-V178 HydrophobicContact CD1-CG2 4.32Å; F171-V178 HydrophobicContact CE1-CB 3.55Å; F171-V178 HydrophobicContact CE1-CG1 4.1Å; F171-V178 HydrophobicContact CE1-CG2 3.49Å; F171-V178 VanDerWaalsContact CE1-CG2 3.49Å; F171-V178 HydrophobicContact CE2-CG2 3.93Å; F171-V178 HydrophobicContact CZ-CB 3.87Å; F171-V178 HydrophobicContact CZ-CG2 3.26Å; F171-V178 PolarHBondContact N-O 3.02Å; F171-V178 PolarHBondContact O-N 3.09Å
172Q96.9Very high96.6Very high125 Ų12549.1 Ų49.158%0.58427%0.266SS*.EExtended strand (participates in β ladder)trans-140.2128.6172.8171.1170.2-10.800108.3F176 V177Q172-F176 WeakPolarHBondContact CA-O 3.34Å; Q172-V177 HydrophobicContact CB-CG2 4.32Å; Q172-V177 HydrophobicContact CG-CG2 3.82Å
173D94.3Very high96.7Very high66 Ų6645.1 Ų45.135%0.35325%0.245SC..  trans-127.7-169.4172.867.133.1000110.3K175 F176 H197D173-K175 PolarHBondContact O-N 3.46Å; D173-K175 WeakPolarHBondContact OD1-CA 3.41Å; D173-K175 WeakPolarHBondContact OD1-CB 3.25Å; D173-K175 PolarHBondContact OD1-N 3.4Å; D173-F176 PolarHBondContact N-O 2.95Å; D173-F176 PolarHBondContact OD1-N 3.04Å; D173-H197 PolarHBondContact O-CD2 2.84Å; D173-H197 PolarHBondContact O-NE2 3.06Å
174N90.6Very high96.9Very high163 Ų16342.1 Ų42.187%0.87222%0.222SC*.SBendtrans-69.3-10-178.9-65.9-17.3000114.1H197N174-H197 VanDerWaalsContact C-CD2 3.5Å; N174-H197 PolarHBondContact O-CD2 3.35Å
175K92.8Very high97.1Very high95 Ų9536.9 Ų36.941%0.41319%0.185SC..SBendtrans-119-34-176.8-65.4-175.5179-176.60113.4D29 D173 E196 H197D29-K175 IonicContact OD2-NZ 2.71Å; D29-K175 PolarHBondContact OD2-NZ 3.25Å; D173-K175 PolarHBondContact O-N 3.46Å; D173-K175 WeakPolarHBondContact OD1-CA 3.41Å; D173-K175 WeakPolarHBondContact OD1-CB 3.25Å; D173-K175 PolarHBondContact OD1-N 3.4Å; K175-E196 CarbonylContact O-C 3.58Å; K175-E196 WeakPolarHBondContact O-CA 3.34Å; K175-H197 PolarHBondContact O-N 2.97Å
176F96.8Very high97.4Very high4 Ų440.9 Ų40.92%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-135.1148.7-171.9-64.7-80000112.8M3 T28 W33 Q172 D173 V178 I194 Q195 E196M3-F176 HydrophobicContact CE-CE1 3.62Å; M3-F176 HydrophobicContact CE-CZ 3.9Å; T28-F176 HydrophobicContact CG2-CE2 4.08Å; T28-F176 HydrophobicContact CG2-CZ 4.08Å; T28-F176 VanDerWaalsContact OG1-CZ 3.24Å; T28-F176 WeakPolarHBondContact OG1-CZ 3.4Å; W33-F176 HydrophobicContact CH2-CB 3.93Å; W33-F176 HydrophobicContact CH2-CD1 4.17Å; W33-F176 AromaticContact CH2-CD2 3.61Å; W33-F176 HydrophobicContact CH2-CD2 3.61Å; W33-F176 HydrophobicContact CH2-CE2 4.2Å; W33-F176 AromaticContact CH2-CG 3.62Å; W33-F176 HydrophobicContact CH2-CG 3.62Å; W33-F176 HydrophobicContact CZ2-CD2 4.09Å; W33-F176 HydrophobicContact CZ2-CE2 4.48Å; W33-F176 HydrophobicContact CZ3-CD1 4.5Å; W33-F176 HydrophobicContact CZ3-CG 4.34Å; Q172-F176 WeakPolarHBondContact CA-O 3.34Å; D173-F176 PolarHBondContact N-O 2.95Å; D173-F176 PolarHBondContact OD1-N 3.04Å; F176-V178 HydrophobicContact CB-CG2 4.42Å; F176-I194 HydrophobicContact CD1-CG2 3.95Å; F176-I194 HydrophobicContact CE1-CG2 4.35Å; F176-Q195 CarbonylContact C-O 3.56Å; F176-Q195 VanDerWaalsContact CA-O 3.28Å; F176-Q195 WeakPolarHBondContact CA-O 3.18Å; F176-E196 HydrophobicContact CD1-CB 3.99Å; F176-E196 HydrophobicContact CD1-CG 4.36Å; F176-E196 HydrophobicContact CE1-CB 3.61Å; F176-E196 HydrophobicContact CE1-CG 3.79Å; F176-E196 HydrophobicContact CZ-CB 4.44Å; F176-E196 HydrophobicContact CZ-CG 4.13Å
177V98.3Very high97.5Very high23 Ų2341.5 Ų41.514%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-115123.3158.3178.80000106.6L169 Q172 K179 Q195 H197L169-V177 HydrophobicContact CD1-CG1 4.14Å; Q172-V177 HydrophobicContact CB-CG2 4.32Å; Q172-V177 HydrophobicContact CG-CG2 3.82Å; V177-K179 HydrophobicContact CG1-CD 4.34Å; V177-K179 HydrophobicContact CG1-CG 4.1Å; V177-Q195 PolarHBondContact N-O 2.76Å; V177-Q195 PolarHBondContact O-N 2.86Å; V177-H197 WeakPolarHBondContact CG2-CE1 3.37Å
178V98.6Very high97.5Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-116.5124.9175.6-1760000109.4W33 F59 L170 F171 F176 C193 I194W33-V178 HydrophobicContact CH2-CG2 4.19Å; W33-V178 HydrophobicContact CZ3-CG2 3.75Å; F59-V178 HydrophobicContact CE1-CG1 3.94Å; F59-V178 HydrophobicContact CZ-CG1 4.32Å; L170-V178 HydrophobicContact CB-CB 4.48Å; L170-V178 HydrophobicContact CB-CG1 4.32Å; L170-V178 WeakPolarHBondContact CB-O 2.91Å; L170-V178 HydrophobicContact CD1-CG1 4.09Å; L170-V178 HydrophobicContact CG-CG1 4.47Å; L170-V178 PolarHBondContact N-O 2.79Å; F171-V178 HydrophobicContact CD1-CB 3.99Å; F171-V178 HydrophobicContact CD1-CG2 4.32Å; F171-V178 HydrophobicContact CE1-CB 3.55Å; F171-V178 HydrophobicContact CE1-CG1 4.1Å; F171-V178 HydrophobicContact CE1-CG2 3.49Å; F171-V178 VanDerWaalsContact CE1-CG2 3.49Å; F171-V178 HydrophobicContact CE2-CG2 3.93Å; F171-V178 HydrophobicContact CZ-CB 3.87Å; F171-V178 HydrophobicContact CZ-CG2 3.26Å; F171-V178 PolarHBondContact N-O 3.02Å; F171-V178 PolarHBondContact O-N 3.09Å; F176-V178 HydrophobicContact CB-CG2 4.42Å; V178-C193 WeakPolarHBondContact CA-O 3.08Å; V178-I194 HydrophobicContact CG1-CG1 4.28Å; V178-I194 HydrophobicContact CG2-CG1 4.31Å; V178-I194 HydrophobicContact CG2-CG2 4.29Å
179K98.9Very high97.5Very high62 Ų6242.2 Ų42.227%0.2720%0.201SC..EExtended strand (participates in β ladder)trans-126.2156.3179.2-67.7178.8173.4-170.20110.6Y168 L169 V177 F192 C193 L268Y168-K179 CarbonylContact O-C 3.59Å; Y168-K179 WeakPolarHBondContact O-CA 3.48Å; Y168-K179 WeakPolarHBondContact O-CB 3.19Å; L169-K179 HydrophobicContact CD1-CG 4.1Å; V177-K179 HydrophobicContact CG1-CD 4.34Å; V177-K179 HydrophobicContact CG1-CG 4.1Å; K179-F192 CarbonylContact O-C 3.55Å; K179-F192 WeakPolarHBondContact O-CA 3.42Å; K179-C193 PolarHBondContact N-O 3.48Å; K179-C193 PolarHBondContact O-N 3.21Å; K179-L268 HydrophobicContact CB-CD1 4.16Å; K179-L268 HydrophobicContact CB-CD2 4.3Å; K179-L268 HydrophobicContact CD-CD2 3.51Å
180A98.9Very high97.5Very high0 Ų038.3 Ų38.30%018%0.181CC..EExtended strand (participates in β ladder)trans-115.6161.6167.700000111.5L125 C167 Y168 L170 G191 F192L125-A180 HydrophobicContact CD2-CB 3.48Å; L125-A180 VanDerWaalsContact CD2-CB 3.48Å; C167-A180 CarbonylContact C-O 3.59Å; C167-A180 WeakPolarHBondContact CA-O 3.27Å; C167-A180 WeakPolarHBondContact CB-O 3.37Å; Y168-A180 HydrophobicContact CD2-CB 4.21Å; Y168-A180 PolarHBondContact N-O 3.36Å; Y168-A180 PolarHBondContact O-N 3.42Å; L170-A180 HydrophobicContact CD1-CB 4.31Å; L170-A180 HydrophobicContact CD2-CB 4.16Å; L170-A180 HydrophobicContact CG-CB 4.34Å; A180-G191 CarbonylContact C-O 3.14Å; A180-G191 WeakPolarHBondContact CA-O 3.07Å; A180-G191 WeakPolarHBondContact CB-O 3.46Å; A180-F192 HydrophobicContact CB-CD1 3.81Å; A180-F192 HydrophobicContact CB-CE1 3.96Å
181F98.8Very high97.5Very high1 Ų138.3 Ų38.30%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-140.6160.3176.455.1-90.8000110.5L183 F190 G191 F254 A265 L268F181-L183 HydrophobicContact CD2-CD2 4.1Å; F181-L183 HydrophobicContact CD2-CG 4.43Å; F181-L183 HydrophobicContact CE2-CD2 3.79Å; F181-L183 HydrophobicContact CE2-CG 4.27Å; F181-F190 VanDerWaalsContact O-CA 3.31Å; F181-F190 WeakPolarHBondContact O-CA 3.32Å; F181-G191 WeakPolarHBondContact CD1-O 3.46Å; F181-G191 VanDerWaalsContact CE1-C 3.4Å; F181-G191 PolarHBondContact N-O 2.89Å; F181-G191 PolarHBondContact O-N 3.33Å; F181-F254 AromaticContact CE2-CD1 3.87Å; F181-F254 HydrophobicContact CE2-CD1 3.87Å; F181-F254 AromaticContact CE2-CE1 3.52Å; F181-F254 HydrophobicContact CE2-CE1 3.52Å; F181-F254 HydrophobicContact CE2-CE2 4.26Å; F181-F254 HydrophobicContact CE2-CG 4.36Å; F181-F254 AromaticContact CE2-CZ 3.73Å; F181-F254 HydrophobicContact CE2-CZ 3.73Å; F181-F254 HydrophobicContact CZ-CD1 4.08Å; F181-F254 AromaticContact CZ-CD2 3.95Å; F181-F254 HydrophobicContact CZ-CD2 3.95Å; F181-F254 AromaticContact CZ-CE1 3.78Å; F181-F254 HydrophobicContact CZ-CE1 3.78Å; F181-F254 AromaticContact CZ-CE2 3.64Å; F181-F254 HydrophobicContact CZ-CE2 3.64Å; F181-F254 HydrophobicContact CZ-CG 4.15Å; F181-F254 AromaticContact CZ-CZ 3.54Å; F181-F254 HydrophobicContact CZ-CZ 3.54Å; F181-A265 HydrophobicContact CB-CB 3.94Å; F181-A265 HydrophobicContact CD2-CB 3.43Å; F181-A265 VanDerWaalsContact CD2-CB 3.43Å; F181-A265 HydrophobicContact CE2-CB 4.01Å; F181-A265 HydrophobicContact CG-CB 3.72Å; F181-L268 HydrophobicContact CB-CD1 4.21Å; F181-L268 HydrophobicContact CD1-CD1 4.13Å
182R98.7Very high97.6Very high28 Ų2837.5 Ų37.511%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-83.6137-171.9-62.1-178.8-71.3145.17.3111.2T128 D130 Q131 L161 D166 Y168 L261T128-R182 WeakPolarHBondContact OG1-CD 3.43Å; T128-R182 PolarHBondContact OG1-NH1 2.75Å; D130-R182 IonicContact OD1-NH1 3.43Å; D130-R182 PolarHBondContact OD1-NH1 2.91Å; D130-R182 VanDerWaalsContact OD1-NH1 3.14Å; D130-R182 IonicContact OD2-CZ 2.76Å; D130-R182 IonicContact OD2-NH1 3.02Å; D130-R182 PolarHBondContact OD2-NH1 2.85Å; Q131-R182 HydrophobicContact CG-CB 4.08Å; Q131-R182 HydrophobicContact CG-CG 4.32Å; L161-R182 HydrophobicContact CD1-CG 4.48Å; D166-R182 IonicContact OD1-CZ 3.29Å; D166-R182 IonicContact OD1-NE 3.44Å; D166-R182 PolarHBondContact OD1-NE 2.91Å; D166-R182 IonicContact OD1-NH2 3.48Å; D166-R182 PolarHBondContact OD1-NH2 3.45Å; Y168-R182 HydrophobicContact CE2-CG 3.66Å; R182-L261 HydrophobicContact CB-CB 4.02Å; R182-L261 HydrophobicContact CB-CD1 4.43Å; R182-L261 PolarHBondContact O-N 3.01Å; R182-L261 VanDerWaalsContact O-N 3.16Å
183L98.8Very high97.7Very high0 Ų031.8 Ų31.80%015%0.151CC..EExtended strand (participates in β ladder)trans-121.7151.2171.9-63.6176.7000109.6F181 S189 F254 C257 V260F181-L183 HydrophobicContact CD2-CD2 4.1Å; F181-L183 HydrophobicContact CD2-CG 4.43Å; F181-L183 HydrophobicContact CE2-CD2 3.79Å; F181-L183 HydrophobicContact CE2-CG 4.27Å; L183-S189 WeakPolarHBondContact CB-O 3.32Å; L183-S189 PolarHBondContact N-O 2.9Å; L183-F254 HydrophobicContact CD1-CB 4.27Å; L183-F254 HydrophobicContact CD1-CD1 4.25Å; L183-F254 HydrophobicContact CD2-CD1 3.83Å; L183-F254 HydrophobicContact CD2-CE1 4.15Å; L183-C257 HydrophobicContact CB-CB 3.71Å; L183-C257 HydrophobicContact CD1-CB 3.96Å; L183-C257 HydrophobicContact CD2-CB 4.11Å; L183-C257 HydrophobicContact CG-CB 4.14Å; L183-V260 HydrophobicContact CD2-CB 4.34Å; L183-V260 HydrophobicContact CD2-CG1 4.34Å; L183-V260 HydrophobicContact CD2-CG2 4Å
184F98.8Very high97.9Very high63 Ų6328.7 Ų28.728%0.27613%0.134SC..EExtended strand (participates in β ladder)trans-91.6125.5170.2-172.9-83.7000110.2D130 Q131 P133 C257 S258 S259 L261D130-F184 WeakPolarHBondContact O-CD2 3.26Å; Q131-F184 WeakPolarHBondContact O-CA 3.48Å; P133-F184 HydrophobicContact CG-CZ 4.35Å; F184-C257 CarbonylContact O-C 3.54Å; F184-C257 WeakPolarHBondContact O-CA 3.34Å; F184-C257 WeakPolarHBondContact O-CB 3.29Å; F184-S258 WeakPolarHBondContact CD1-OG 3.38Å; F184-S258 PolarHBondContact O-N 3.2Å; F184-S259 VanDerWaalsContact CB-OG 3.24Å; F184-S259 WeakPolarHBondContact CB-OG 3.28Å; F184-S259 PolarHBondContact N-O 3.34Å; F184-L261 HydrophobicContact CB-CD1 4.11Å; F184-L261 HydrophobicContact CB-CD2 4.19Å; F184-L261 HydrophobicContact CB-CG 4.11Å
185H98.6Very high98.3Very high0 Ų023.2 Ų23.20%010%0.103CC..SBendtrans-150.7-178.7176.1-175.159.1000110.2H62 H64 Q131 S132 I187 D256 G293 H294H62-H185 AromaticContact CD2-CD2 3.75Å; H62-H185 AromaticContact NE2-CD2 3.9Å; H62-H185 AromaticContact NE2-NE2 3.79Å; H64-H185 AromaticContact CE1-CD2 3.67Å; H64-H185 AromaticContact CE1-NE2 3.03Å; H64-H185 PolarHBondContact CE1-NE2 2.76Å; H64-H185 AromaticContact ND1-CD2 3.86Å; H64-H185 AromaticContact ND1-NE2 3.19Å; H64-H185 PolarHBondContact ND1-NE2 2.86Å; H64-H185 VanDerWaalsContact ND1-NE2 3.19Å; Q131-H185 PolarHBondContact O-N 3.41Å; S132-H185 VanDerWaalsContact CA-O 3.26Å; S132-H185 WeakPolarHBondContact CA-O 3.35Å; S132-H185 VanDerWaalsContact CB-O 3.23Å; S132-H185 WeakPolarHBondContact CB-O 3.43Å; H185-I187 CarbonylContact C-O 3.49Å; H185-I187 WeakPolarHBondContact CB-O 3.38Å; H185-I187 PolarHBondContact O-N 2.83Å; H185-D256 WeakPolarHBondContact CB-O 3.33Å; H185-G293 PolarHBondContact ND1-O 2.78Å; H185-H294 AromaticContact CE1-CE1 3.62Å
186R98.1Very high98.5Very high106 Ų10618.9 Ų18.940%0.49%0.085SC..SBendtrans-64.6-25.1178.4-70.2-172.4-64.6-168.7-0.4113.8G136 H292G136-R186 WeakPolarHBondContact CA-O 3.24Å; R186-H292 WeakPolarHBondContact CD-O 3.46Å; R186-H292 WeakPolarHBondContact CG-O 3.16Å; R186-H292 PolarHBondContact NE-O 2.76Å
187I98.4Very high98.4Very high31 Ų3121.6 Ų21.616%0.15910%0.097CC..SBendtrans-129.5161.1165.166.2170000107.7H62 L63 G136 H185 S189H62-I187 HydrophobicContact CB-CD1 4.16Å; H62-I187 HydrophobicContact CB-CG1 4.18Å; L63-I187 HydrophobicContact CB-CD1 4.1Å; G136-I187 WeakPolarHBondContact O-CG2 3.48Å; H185-I187 CarbonylContact C-O 3.49Å; H185-I187 WeakPolarHBondContact CB-O 3.38Å; H185-I187 PolarHBondContact O-N 2.83Å; I187-S189 PolarHBondContact O-N 2.84Å
188P98.6Very high98.1Very high17 Ų1724.9 Ų24.911%0.1111%0.114CC..  trans-55.4126-179.2-27.436000112.7H62 P127 Q131 G136H62-P188 WeakPolarHBondContact CB-O 3.37Å; P127-P188 HydrophobicContact CB-CB 3.52Å; P127-P188 HydrophobicContact CB-CG 3.87Å; P127-P188 HydrophobicContact CG-CB 4.42Å; P127-P188 HydrophobicContact CG-CG 4.43Å; Q131-P188 HydrophobicContact CB-CB 3.92Å; Q131-P188 HydrophobicContact CB-CG 4.39Å; G136-P188 WeakPolarHBondContact O-CD 3.33Å
189S98.8Very high97.6Very high0 Ų027.8 Ų27.80%013%0.125CC..EExtended strand (participates in β ladder)trans-125.5152.2-177-179.80000111.7Q131 L183 I187 D256Q131-S189 PolarHBondContact NE2-O 2.81Å; L183-S189 WeakPolarHBondContact CB-O 3.32Å; L183-S189 PolarHBondContact N-O 2.9Å; I187-S189 PolarHBondContact O-N 2.84Å; S189-D256 VanDerWaalsContact CB-O 3.23Å; S189-D256 WeakPolarHBondContact CB-O 3.22Å; S189-D256 PolarHBondContact OG-O 3.14Å
190F98.9Very high97Very high0 Ų027.7 Ų27.70%013%0.131CC..EExtended strand (participates in β ladder)trans-128.8144.5-177.9-60.1-81.8000111.7S61 P98 L125 P127 Y168 F181 F192 G255S61-F190 WeakPolarHBondContact CB-O 3.28Å; S61-F190 WeakPolarHBondContact O-CD2 3.32Å; S61-F190 PolarHBondContact O-N 3.21Å; P98-F190 HydrophobicContact CB-CE2 3.96Å; P98-F190 HydrophobicContact CG-CD2 3.98Å; P98-F190 HydrophobicContact CG-CE2 3.85Å; L125-F190 HydrophobicContact CB-CD2 4.49Å; L125-F190 HydrophobicContact CB-CE1 4.15Å; L125-F190 HydrophobicContact CB-CE2 4.01Å; L125-F190 HydrophobicContact CB-CZ 3.81Å; L125-F190 HydrophobicContact CD2-CB 4.28Å; L125-F190 HydrophobicContact CD2-CD1 3.75Å; L125-F190 HydrophobicContact CD2-CD2 4.09Å; L125-F190 HydrophobicContact CD2-CE1 4.06Å; L125-F190 HydrophobicContact CD2-CE2 4.38Å; L125-F190 HydrophobicContact CD2-CG 3.77Å; L125-F190 HydrophobicContact CD2-CZ 4.36Å; P127-F190 HydrophobicContact CB-CZ 4.13Å; Y168-F190 HydrophobicContact CD2-CD1 4.3Å; Y168-F190 HydrophobicContact CD2-CE1 4.24Å; Y168-F190 HydrophobicContact CE1-CE1 4.47Å; Y168-F190 AromaticContact CE2-CD1 3.9Å; Y168-F190 HydrophobicContact CE2-CD1 3.9Å; Y168-F190 AromaticContact CE2-CE1 3.53Å; Y168-F190 HydrophobicContact CE2-CE1 3.53Å; Y168-F190 AromaticContact CZ-CE1 3.68Å; F181-F190 VanDerWaalsContact O-CA 3.31Å; F181-F190 WeakPolarHBondContact O-CA 3.32Å; F190-F192 HydrophobicContact CB-CZ 4.32Å; F190-G255 PolarHBondContact O-N 3.09Å
191G98.8Very high96.5Very high0 Ų027.8 Ų27.80%013%0.132CC..EExtended strand (participates in β ladder)trans-103.4159.4161.900000111A180 F181 V253A180-G191 CarbonylContact C-O 3.14Å; A180-G191 WeakPolarHBondContact CA-O 3.07Å; A180-G191 WeakPolarHBondContact CB-O 3.46Å; F181-G191 WeakPolarHBondContact CD1-O 3.46Å; F181-G191 VanDerWaalsContact CE1-C 3.4Å; F181-G191 PolarHBondContact N-O 2.89Å; F181-G191 PolarHBondContact O-N 3.33Å; G191-V253 CarbonylContact C-O 3.46Å; G191-V253 WeakPolarHBondContact CA-O 3.4Å
192F98.9Very high96Very high3 Ų336 Ų361%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-124135.6-176-55.3-74.9000111F35 F59 L170 K179 A180 F190 I194 C252 V253F35-F192 HydrophobicContact CD1-CB 4.3Å; F35-F192 AromaticContact CD1-CD2 3.82Å; F35-F192 HydrophobicContact CD1-CD2 3.82Å; F35-F192 HydrophobicContact CD1-CG 4.25Å; F35-F192 HydrophobicContact CE1-CB 3.86Å; F35-F192 HydrophobicContact CE1-CD2 4.17Å; F35-F192 HydrophobicContact CE1-CG 4.12Å; F59-F192 HydrophobicContact CB-CD1 4.34Å; F59-F192 HydrophobicContact CB-CD2 4.12Å; F59-F192 HydrophobicContact CB-CE1 4.11Å; F59-F192 HydrophobicContact CB-CE2 3.86Å; F59-F192 HydrophobicContact CB-CG 4.35Å; F59-F192 HydrophobicContact CB-CZ 3.86Å; F59-F192 HydrophobicContact CD1-CD1 4.18Å; F59-F192 HydrophobicContact CD1-CE1 4.27Å; L170-F192 HydrophobicContact CD1-CD1 3.79Å; L170-F192 HydrophobicContact CD1-CE1 3.95Å; K179-F192 CarbonylContact O-C 3.55Å; K179-F192 WeakPolarHBondContact O-CA 3.42Å; A180-F192 HydrophobicContact CB-CD1 3.81Å; A180-F192 HydrophobicContact CB-CE1 3.96Å; F190-F192 HydrophobicContact CB-CZ 4.32Å; F192-I194 HydrophobicContact CB-CD1 4.26Å; F192-C252 CarbonylContact O-C 3.49Å; F192-C252 VanDerWaalsContact O-CA 3.25Å; F192-C252 WeakPolarHBondContact O-CA 3.44Å; F192-V253 PolarHBondContact N-O 3.1Å; F192-V253 PolarHBondContact O-N 3.2Å
193C98.8Very high95.5Very high5 Ų535.7 Ų35.73%0.03416%0.163CC..EExtended strand (participates in β ladder)trans-115.3121.2172177.10000109.5V178 K179 L268V178-C193 WeakPolarHBondContact CA-O 3.08Å; K179-C193 PolarHBondContact N-O 3.48Å; K179-C193 PolarHBondContact O-N 3.21Å; C193-L268 HydrophobicContact CB-CB 4.1Å; C193-L268 PolarHBondContact SG-O 2.93Å; C193-L268 VanDerWaalsContact SG-O 3.36Å
194I98.5Very high95.2Very high2 Ų239.6 Ų39.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-109104.4179.3-58.788.7000107.2L26 W33 F35 F176 V178 F192 K250 V251L26-I194 HydrophobicContact CD2-CB 4.35Å; L26-I194 HydrophobicContact CD2-CG1 4.3Å; L26-I194 HydrophobicContact CD2-CG2 3.92Å; W33-I194 HydrophobicContact CE3-CG2 4.33Å; W33-I194 HydrophobicContact CZ3-CG1 4.43Å; W33-I194 HydrophobicContact CZ3-CG2 3.66Å; F35-I194 HydrophobicContact CE1-CD1 3.63Å; F35-I194 HydrophobicContact CE1-CG1 4.38Å; F35-I194 HydrophobicContact CE2-CD1 4.36Å; F35-I194 HydrophobicContact CZ-CD1 3.37Å; F35-I194 HydrophobicContact CZ-CG1 3.82Å; F176-I194 HydrophobicContact CD1-CG2 3.95Å; F176-I194 HydrophobicContact CE1-CG2 4.35Å; V178-I194 HydrophobicContact CG1-CG1 4.28Å; V178-I194 HydrophobicContact CG2-CG1 4.31Å; V178-I194 HydrophobicContact CG2-CG2 4.29Å; F192-I194 HydrophobicContact CB-CD1 4.26Å; I194-K250 WeakPolarHBondContact O-CA 3.39Å; I194-V251 HydrophobicContact CB-CB 4.41Å; I194-V251 WeakPolarHBondContact CD1-O 3.48Å; I194-V251 PolarHBondContact N-O 2.85Å; I194-V251 PolarHBondContact O-N 2.75Å
195Q97.9Very high94.7Very high47 Ų4740 Ų4022%0.2219%0.187CC..EExtended strand (participates in β ladder)trans-105.8115.2178.2178.763.759.900109.3F176 V177F176-Q195 CarbonylContact C-O 3.56Å; F176-Q195 VanDerWaalsContact CA-O 3.28Å; F176-Q195 WeakPolarHBondContact CA-O 3.18Å; V177-Q195 PolarHBondContact N-O 2.76Å; V177-Q195 PolarHBondContact O-N 2.86Å
196E96.9Very high94.3Very high5 Ų547.9 Ų47.92%0.02322%0.222CC..EExtended strand (participates in β ladder)trans-71.3140.1164.7-168178.6-153.500109.5K175 F176 R199 G248 R249K175-E196 CarbonylContact O-C 3.58Å; K175-E196 WeakPolarHBondContact O-CA 3.34Å; F176-E196 HydrophobicContact CD1-CB 3.99Å; F176-E196 HydrophobicContact CD1-CG 4.36Å; F176-E196 HydrophobicContact CE1-CB 3.61Å; F176-E196 HydrophobicContact CE1-CG 3.79Å; F176-E196 HydrophobicContact CZ-CB 4.44Å; F176-E196 HydrophobicContact CZ-CG 4.13Å; E196-R199 IonicContact OE1-CZ 3.28Å; E196-R199 IonicContact OE1-NE 3.84Å; E196-R199 IonicContact OE1-NH2 3.78Å; E196-R199 PolarHBondContact OE1-NH2 2.92Å; E196-G248 WeakPolarHBondContact O-CA 3.25Å; E196-R249 WeakPolarHBondContact CB-O 3.38Å; E196-R249 VanDerWaalsContact CD-NH2 3.28Å; E196-R249 PolarHBondContact N-O 2.82Å; E196-R249 IonicContact OE1-CZ 2.96Å; E196-R249 IonicContact OE1-NE 3.92Å; E196-R249 IonicContact OE1-NH2 3.35Å; E196-R249 PolarHBondContact OE1-NH2 2.81Å; E196-R249 IonicContact OE2-CZ 3.26Å; E196-R249 VanDerWaalsContact OE2-CZ 3.29Å; E196-R249 PolarHBondContact OE2-N 3.06Å; E196-R249 IonicContact OE2-NE 2.71Å; E196-R249 PolarHBondContact OE2-NE 3.43Å; E196-R249 IonicContact OE2-NH2 3.81Å; E196-R249 PolarHBondContact OE2-NH2 3.26Å
197H94.9Very high94Very high60 Ų6045.7 Ų45.728%0.27822%0.218SC..PPolyproline II helixtrans-65.5150.5173.2-69.2-61.4000111.5D173 N174 K175 V177D173-H197 PolarHBondContact O-CD2 2.84Å; D173-H197 PolarHBondContact O-NE2 3.06Å; N174-H197 VanDerWaalsContact C-CD2 3.5Å; N174-H197 PolarHBondContact O-CD2 3.35Å; K175-H197 PolarHBondContact O-N 2.97Å; V177-H197 WeakPolarHBondContact CG2-CE1 3.37Å
198D92.8Very high93.6Very high93 Ų9344.2 Ų44.250%0.49721%0.21SC..PPolyproline II helixtrans-60.2145171.8-67.8-7.5000110.2P247 G248D198-P247 VanDerWaalsContact OD1-CA 3.27Å; D198-P247 WeakPolarHBondContact OD1-CA 3.4Å; D198-G248 PolarHBondContact OD1-N 3.31Å
199R88.2Confident93.1Very high60 Ų6050.3 Ų50.323%0.22624%0.235CC..BIsolated β-bridgetrans-104.2138178.9-59.4-177.3-175.2-172.64.4109.3E196 G201 D245 I246E196-R199 IonicContact OE1-CZ 3.28Å; E196-R199 IonicContact OE1-NE 3.84Å; E196-R199 IonicContact OE1-NH2 3.78Å; E196-R199 PolarHBondContact OE1-NH2 2.92Å; R199-G201 PolarHBondContact O-N 2.76Å; R199-D245 WeakPolarHBondContact O-CA 3.23Å; R199-I246 HydrophobicContact CB-CB 4.33Å; R199-I246 PolarHBondContact N-O 3.3Å; R199-I246 PolarHBondContact O-N 3.41Å
200P86.4Confident92.7Very high61 Ų6157.5 Ų57.540%0.39627%0.269SS..PPolyproline II helixtrans-51.1136.6172.6-27.233.8000111.3K223 D245P200-K223 WeakPolarHBondContact CG-O 3.47Å; P200-D245 WeakPolarHBondContact CA-OD1 3.49Å
201G87.2Confident92.2Very high1 Ų159.8 Ų59.81%0.0128%0.28CS..PPolyproline II helixtrans-54.6167.717600000113.5R199 L242 E243 A244 D245R199-G201 PolarHBondContact O-N 2.76Å; G201-L242 WeakPolarHBondContact O-CD2 3.42Å; G201-E243 WeakPolarHBondContact CA-O 3.49Å; G201-A244 WeakPolarHBondContact CA-O 3.19Å; G201-D245 PolarHBondContact N-OD1 3.09Å; G201-D245 VanDerWaalsContact N-OD1 3.16Å
202R88.7Confident91.7Very high175 Ų17562.6 Ų62.666%0.6631%0.309SS*.PPolyproline II helixtrans-69144.8175.6-65.3179.1173.2-174.9-0.9109.8K204 E243R202-K204 PolarHBondContact O-N 2.96Å; R202-E243 WeakPolarHBondContact CB-OE2 3.35Å; R202-E243 PolarHBondContact O-N 3.36Å
203L89.6Confident91.2Very high20 Ų2063 Ų6311%0.10531%0.311CS..BIsolated β-bridgetrans-69.8131.2171.9-75.5165000109.3T205 L208 Y219 L222 K223 V241 L242L203-T205 HydrophobicContact CB-CG2 4.35Å; L203-T205 PolarHBondContact O-N 2.86Å; L203-L208 HydrophobicContact CB-CD1 3.77Å; L203-L208 HydrophobicContact CD1-CD1 4.29Å; L203-L208 HydrophobicContact CD2-CD1 3.74Å; L203-L208 HydrophobicContact CG-CD1 4.13Å; L203-Y219 HydrophobicContact CD1-CD2 3.53Å; L203-Y219 HydrophobicContact CD1-CE2 4.35Å; L203-Y219 HydrophobicContact CD1-CG 3.69Å; L203-L222 HydrophobicContact CD2-CB 4.19Å; L203-K223 HydrophobicContact CD1-CD 4.14Å; L203-K223 HydrophobicContact CD1-CG 3.97Å; L203-K223 HydrophobicContact CD2-CG 4.29Å; L203-K223 HydrophobicContact CG-CD 4.41Å; L203-K223 HydrophobicContact CG-CG 3.98Å; L203-V241 WeakPolarHBondContact CA-O 3.24Å; L203-L242 HydrophobicContact CD2-CD2 3.43Å; L203-L242 VanDerWaalsContact CD2-CD2 3.43Å; L203-L242 HydrophobicContact CD2-CG 4.24Å; L203-L242 HydrophobicContact CG-CD2 3.83Å
204K91.3Very high90.7Very high82 Ų8270.8 Ų70.836%0.35735%0.345SS..  trans-71.174.1169.7-63.3175.8-170.2159.20109.1R202 K206 L207 L208 E240 V241 L242 E243R202-K204 PolarHBondContact O-N 2.96Å; K204-K206 PolarHBondContact O-N 2.92Å; K204-K206 VanDerWaalsContact O-N 3.11Å; K204-L207 HydrophobicContact CB-CB 4.06Å; K204-L207 HydrophobicContact CD-CD2 4.37Å; K204-L207 WeakPolarHBondContact O-CB 3.23Å; K204-L207 PolarHBondContact O-N 2.99Å; K204-L208 PolarHBondContact O-N 2.63Å; K204-E240 PolarHBondContact NZ-O 3.23Å; K204-V241 WeakPolarHBondContact CB-O 3.18Å; K204-V241 PolarHBondContact N-O 3.07Å; K204-L242 VanDerWaalsContact CE-O 3.27Å; K204-L242 WeakPolarHBondContact CE-O 3.34Å; K204-L242 PolarHBondContact NZ-O 2.73Å; K204-E243 HydrophobicContact CG-CG 4.37Å
205T89.4Confident90.2Very high71 Ų7175.2 Ų75.244%0.43637%0.374SS..Hα-helixtrans-58.3-28-171.455.40000114.3L203 K209 Y219L203-T205 HydrophobicContact CB-CG2 4.35Å; L203-T205 PolarHBondContact O-N 2.86Å; T205-K209 WeakPolarHBondContact O-CG 3.36Å; T205-K209 PolarHBondContact O-N 2.87Å; T205-K209 VanDerWaalsContact O-N 3.16Å; T205-Y219 HydrophobicContact CG2-CE2 4.25Å
206K89.9Confident89.7Confident167 Ų16774.8 Ų74.873%0.72638%0.382SS*.Hα-helixtrans-64.9-50.9173.1-67.1-176.2179.5179.60111.2K204 L208 K209 E210K204-K206 PolarHBondContact O-N 2.92Å; K204-K206 VanDerWaalsContact O-N 3.11Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.77Å; K206-K209 WeakPolarHBondContact O-CB 3.23Å; K206-K209 PolarHBondContact O-N 2.79Å; K206-K209 VanDerWaalsContact O-N 3.16Å; K206-E210 WeakPolarHBondContact O-CG 3.42Å; K206-E210 PolarHBondContact O-N 3.49Å
207L90.2Very high89.4Confident59 Ų5980 Ų8031%0.30942%0.416SS..Hα-helixtrans-61-40.7177.4-177.861.4000111.9K204 K209 E210 L211 E240 V241K204-L207 HydrophobicContact CB-CB 4.06Å; K204-L207 HydrophobicContact CD-CD2 4.37Å; K204-L207 WeakPolarHBondContact O-CB 3.23Å; K204-L207 PolarHBondContact O-N 2.99Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.01Å; L207-E210 PolarHBondContact O-N 3.48Å; L207-L211 HydrophobicContact CD1-CD1 4.38Å; L207-L211 HydrophobicContact CD1-CG 4.46Å; L207-L211 HydrophobicContact CG-CD1 4.11Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.16Å; L207-L211 PolarHBondContact O-N 3.15Å; L207-E240 WeakPolarHBondContact CD2-O 3.35Å; L207-V241 HydrophobicContact CD2-CG1 3.98Å; L207-V241 HydrophobicContact CG-CG1 4.34Å
208L90.2Very high89.1Confident0 Ų080.7 Ų80.70%042%0.421CS..Hα-helixtrans-62.5-38.4176.7-70.4166.6000112.6L203 K204 K206 L211 G212 I213 Y219 L222 L236 V241L203-L208 HydrophobicContact CB-CD1 3.77Å; L203-L208 HydrophobicContact CD1-CD1 4.29Å; L203-L208 HydrophobicContact CD2-CD1 3.74Å; L203-L208 HydrophobicContact CG-CD1 4.13Å; K204-L208 PolarHBondContact O-N 2.63Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.77Å; L208-L211 PolarHBondContact O-N 3.42Å; L208-G212 PolarHBondContact O-N 2.96Å; L208-I213 HydrophobicContact CD2-CB 4.46Å; L208-I213 HydrophobicContact CD2-CD1 3.79Å; L208-I213 WeakPolarHBondContact O-CB 3.38Å; L208-I213 PolarHBondContact O-N 3.49Å; L208-Y219 HydrophobicContact CB-CE1 3.9Å; L208-Y219 WeakPolarHBondContact CB-OH 3.44Å; L208-Y219 HydrophobicContact CD1-CD1 4.13Å; L208-Y219 HydrophobicContact CD1-CD2 4.43Å; L208-Y219 HydrophobicContact CD1-CE1 3.68Å; L208-Y219 HydrophobicContact CD1-CE2 4Å; L208-Y219 HydrophobicContact CD1-CG 4.48Å; L208-Y219 HydrophobicContact CD2-CE1 4.42Å; L208-Y219 HydrophobicContact CG-CE1 4.21Å; L208-L222 HydrophobicContact CD2-CD1 3.7Å; L208-L236 HydrophobicContact CD2-CD2 4.42Å; L208-V241 HydrophobicContact CD2-CB 3.79Å; L208-V241 HydrophobicContact CD2-CG1 3.76Å; L208-V241 HydrophobicContact CD2-CG2 4.07Å; L208-V241 HydrophobicContact CG-CB 4.2Å; L208-V241 HydrophobicContact CG-CG1 4.33Å
209K89.1Confident88.9Confident146 Ų14677.6 Ų77.664%0.63540%0.403SS*.Hα-helixtrans-66.9-41.1174.3-74.6176.4-180-175.40111.9T205 K206 L207 L211 G212T205-K209 WeakPolarHBondContact O-CG 3.36Å; T205-K209 PolarHBondContact O-N 2.87Å; T205-K209 VanDerWaalsContact O-N 3.16Å; K206-K209 WeakPolarHBondContact O-CB 3.23Å; K206-K209 PolarHBondContact O-N 2.79Å; K206-K209 VanDerWaalsContact O-N 3.16Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.01Å; K209-L211 VanDerWaalsContact C-N 3.26Å; K209-L211 PolarHBondContact O-N 3.48Å; K209-G212 PolarHBondContact O-N 2.86Å
210E89.9Confident88.9Confident151 Ų15176.8 Ų76.871%0.70641%0.413SS*.Hα-helixtrans-62.9-33.8175.4-71.3165.6-166.500112.1K206 L207 G212K206-E210 WeakPolarHBondContact O-CG 3.42Å; K206-E210 PolarHBondContact O-N 3.49Å; L207-E210 PolarHBondContact O-N 3.48Å; E210-G212 PolarHBondContact O-N 3.44Å
211L88.9Confident89.1Confident47 Ų4779 Ų7925%0.24641%0.414CS..THydrogen-bonded Turntrans-79.44.2173.6-66171.5000113.7L207 L208 K209 I213 L230 L236 V241L207-L211 HydrophobicContact CD1-CD1 4.38Å; L207-L211 HydrophobicContact CD1-CG 4.46Å; L207-L211 HydrophobicContact CG-CD1 4.11Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.16Å; L207-L211 PolarHBondContact O-N 3.15Å; L208-L211 PolarHBondContact O-N 3.42Å; K209-L211 VanDerWaalsContact C-N 3.26Å; K209-L211 PolarHBondContact O-N 3.48Å; L211-I213 VanDerWaalsContact C-N 3.28Å; L211-I213 HydrophobicContact CB-CD1 4.43Å; L211-I213 HydrophobicContact CB-CG1 4.3Å; L211-I213 PolarHBondContact O-N 3.05Å; L211-L230 HydrophobicContact CD2-CD1 4.46Å; L211-L236 HydrophobicContact CD1-CD1 3.79Å; L211-L236 HydrophobicContact CD1-CD2 4.05Å; L211-V241 HydrophobicContact CD1-CG1 4.1Å
212G88.2Confident89.1Confident59 Ų5979 Ų7961%0.60841%0.414SS*.THydrogen-bonded Turntrans76.17.5178.600000115.1L208 K209 E210 K214L208-G212 PolarHBondContact O-N 2.96Å; K209-G212 PolarHBondContact O-N 2.86Å; E210-G212 PolarHBondContact O-N 3.44Å; G212-K214 PolarHBondContact O-N 3.46Å
213I88.7Confident89.1Confident11 Ų1175.2 Ų75.26%0.05640%0.402CS..PPolyproline II helixtrans-82.1116.6-177.4-53.6178.6000109.5L208 L211 L218 Y219 L230 L236L208-I213 HydrophobicContact CD2-CB 4.46Å; L208-I213 HydrophobicContact CD2-CD1 3.79Å; L208-I213 WeakPolarHBondContact O-CB 3.38Å; L208-I213 PolarHBondContact O-N 3.49Å; L211-I213 VanDerWaalsContact C-N 3.28Å; L211-I213 HydrophobicContact CB-CD1 4.43Å; L211-I213 HydrophobicContact CB-CG1 4.3Å; L211-I213 PolarHBondContact O-N 3.05Å; I213-L218 HydrophobicContact CG2-CB 4.06Å; I213-L218 HydrophobicContact CG2-CD1 4.08Å; I213-Y219 HydrophobicContact CB-CE1 4.32Å; I213-Y219 HydrophobicContact CG2-CD1 4.02Å; I213-Y219 HydrophobicContact CG2-CE1 3.73Å; I213-L230 HydrophobicContact CD1-CD2 3.72Å; I213-L230 HydrophobicContact CG1-CD2 4.03Å; I213-L236 HydrophobicContact CD1-CD2 3.31Å
214K86.8Confident88.9Confident170 Ų17077.8 Ų77.874%0.73943%0.426SS*.PPolyproline II helixtrans-75.5143.6177.4-64.4-178.1-176.5174.80110.9G212 G216G212-K214 PolarHBondContact O-N 3.46Å; K214-G216 PolarHBondContact O-N 3.26Å
215P88.6Confident88.8Confident94 Ų9476.3 Ų76.361%0.6143%0.434SS*.SBendtrans-55135170-23.132.9000111Y219P215-Y219 HydrophobicContact CB-CE2 4.18Å; P215-Y219 HydrophobicContact CG-CE2 4.33Å
216G88.2Confident88.9Confident38 Ų3877 Ų7739%0.39243%0.432SS..SBendtrans154.1-154.4-177.600000112.9K214 L218 Y219K214-G216 PolarHBondContact O-N 3.26Å; G216-L218 PolarHBondContact O-N 2.9Å; G216-L218 VanDerWaalsContact O-N 3.11Å; G216-Y219 WeakPolarHBondContact O-CB 3.34Å; G216-Y219 PolarHBondContact O-N 2.86Å
217P89.7Confident89Confident116 Ų11671 Ų7175%0.75341%0.411SS*.Hα-helixtrans-54-33.2-176.9-27.735.3000114.3Y219 G220 R221P217-Y219 VanDerWaalsContact C-N 3.29Å; P217-Y219 PolarHBondContact O-N 2.82Å; P217-G220 WeakPolarHBondContact O-CA 3.19Å; P217-G220 PolarHBondContact O-N 2.9Å; P217-R221 PolarHBondContact O-N 3.28Å
218L88.4Confident89.1Confident73 Ų7368.5 Ų68.538%0.38240%0.398SS..Hα-helixtrans-60.3-35.5177.6-63.3-180000112.9I213 G216 G220 R221 L222 L228I213-L218 HydrophobicContact CG2-CB 4.06Å; I213-L218 HydrophobicContact CG2-CD1 4.08Å; G216-L218 PolarHBondContact O-N 2.9Å; G216-L218 VanDerWaalsContact O-N 3.11Å; L218-G220 VanDerWaalsContact C-N 3.32Å; L218-R221 PolarHBondContact O-N 3.04Å; L218-L222 WeakPolarHBondContact O-CG 3.23Å; L218-L222 PolarHBondContact O-N 3.17Å; L218-L222 VanDerWaalsContact O-N 3.09Å; L218-L228 HydrophobicContact CB-CD1 3.81Å; L218-L228 HydrophobicContact CD2-CD1 4.08Å; L218-L228 HydrophobicContact CD2-CD2 4.01Å; L218-L228 HydrophobicContact CG-CD1 4.41Å
219Y89.9Confident89.1Confident29 Ų2973.6 Ų73.611%0.11443%0.429CS..Hα-helixtrans-67-36.9175.1-80.325.2000111.4L203 T205 L208 I213 P215 G216 P217 K223L203-Y219 HydrophobicContact CD1-CD2 3.53Å; L203-Y219 HydrophobicContact CD1-CE2 4.35Å; L203-Y219 HydrophobicContact CD1-CG 3.69Å; T205-Y219 HydrophobicContact CG2-CE2 4.25Å; L208-Y219 HydrophobicContact CB-CE1 3.9Å; L208-Y219 WeakPolarHBondContact CB-OH 3.44Å; L208-Y219 HydrophobicContact CD1-CD1 4.13Å; L208-Y219 HydrophobicContact CD1-CD2 4.43Å; L208-Y219 HydrophobicContact CD1-CE1 3.68Å; L208-Y219 HydrophobicContact CD1-CE2 4Å; L208-Y219 HydrophobicContact CD1-CG 4.48Å; L208-Y219 HydrophobicContact CD2-CE1 4.42Å; L208-Y219 HydrophobicContact CG-CE1 4.21Å; I213-Y219 HydrophobicContact CB-CE1 4.32Å; I213-Y219 HydrophobicContact CG2-CD1 4.02Å; I213-Y219 HydrophobicContact CG2-CE1 3.73Å; P215-Y219 HydrophobicContact CB-CE2 4.18Å; P215-Y219 HydrophobicContact CG-CE2 4.33Å; G216-Y219 WeakPolarHBondContact O-CB 3.34Å; G216-Y219 PolarHBondContact O-N 2.86Å; P217-Y219 VanDerWaalsContact C-N 3.29Å; P217-Y219 PolarHBondContact O-N 2.82Å; Y219-K223 PolarHBondContact O-N 3.35Å
220G87.6Confident89Confident43 Ų4367.8 Ų67.844%0.44341%0.405SS..Hα-helixtrans-63.4-44.8175.600000111.7P217 L218 K223 A224P217-G220 WeakPolarHBondContact O-CA 3.19Å; P217-G220 PolarHBondContact O-N 2.9Å; L218-G220 VanDerWaalsContact C-N 3.32Å; G220-K223 CarbonylContact O-C 3.5Å; G220-K223 PolarHBondContact O-N 3.25Å; G220-A224 WeakPolarHBondContact O-CB 3.39Å; G220-A224 PolarHBondContact O-N 2.95Å
221R89.8Confident88.7Confident108 Ų10869.3 Ų69.341%0.40842%0.418SS..Hα-helixtrans-60.4-47.2176.8-67.1-178.867.9-162.9-4.4112.2P217 L218 K223 A224 G225 E226 L228P217-R221 PolarHBondContact O-N 3.28Å; L218-R221 PolarHBondContact O-N 3.04Å; R221-K223 VanDerWaalsContact C-N 3.31Å; R221-K223 PolarHBondContact O-N 3.46Å; R221-A224 CarbonylContact O-C 3.57Å; R221-A224 WeakPolarHBondContact O-CA 3.46Å; R221-A224 WeakPolarHBondContact O-CB 3.39Å; R221-A224 PolarHBondContact O-N 3.12Å; R221-G225 PolarHBondContact O-N 2.94Å; R221-E226 HydrophobicContact CB-CB 4.18Å; R221-E226 IonicContact CZ-OE2 3.9Å; R221-E226 VanDerWaalsContact CZ-OE2 3.29Å; R221-E226 IonicContact NE-OE2 3.06Å; R221-E226 PolarHBondContact NE-OE2 2.91Å; R221-E226 IonicContact NH2-OE2 2.9Å; R221-E226 PolarHBondContact NH2-OE2 3.26Å; R221-E226 WeakPolarHBondContact O-CB 3.4Å; R221-E226 PolarHBondContact O-N 2.87Å; R221-L228 HydrophobicContact CB-CD2 4.14Å
222L89.1Confident88.4Confident0 Ų071.7 Ų71.70%044%0.438CS..Hα-helixtrans-59.1-42.5174.7-73.2165.4000111.9L203 L208 L218 A224 G225 L228 L236 P238 V241L203-L222 HydrophobicContact CD2-CB 4.19Å; L208-L222 HydrophobicContact CD2-CD1 3.7Å; L218-L222 WeakPolarHBondContact O-CG 3.23Å; L218-L222 PolarHBondContact O-N 3.17Å; L218-L222 VanDerWaalsContact O-N 3.09Å; L222-A224 VanDerWaalsContact C-N 3.27Å; L222-A224 PolarHBondContact O-N 3.31Å; L222-G225 PolarHBondContact O-N 2.85Å; L222-G225 VanDerWaalsContact O-N 3.08Å; L222-L228 HydrophobicContact CD1-CD1 3.71Å; L222-L228 HydrophobicContact CD2-CD1 3.98Å; L222-L228 HydrophobicContact CD2-CG 3.93Å; L222-L228 HydrophobicContact CG-CD1 3.56Å; L222-L228 HydrophobicContact CG-CG 3.96Å; L222-L236 HydrophobicContact CD1-CD2 4.46Å; L222-L236 HydrophobicContact CD2-CD2 4.39Å; L222-P238 HydrophobicContact CD2-CG 4.41Å; L222-P238 WeakPolarHBondContact O-CB 3.5Å; L222-V241 HydrophobicContact CD1-CG2 4.01Å; L222-V241 HydrophobicContact CD2-CG2 3.97Å; L222-V241 HydrophobicContact CG-CG2 4.43Å
223K86.7Confident88.3Confident96 Ų9671.6 Ų71.642%0.41744%0.437SS..Hα-helixtrans-66.8-25.9175.1-83.5-169.2169.7-163.40114.1P200 L203 Y219 G220 R221 G225 L242P200-K223 WeakPolarHBondContact CG-O 3.47Å; L203-K223 HydrophobicContact CD1-CD 4.14Å; L203-K223 HydrophobicContact CD1-CG 3.97Å; L203-K223 HydrophobicContact CD2-CG 4.29Å; L203-K223 HydrophobicContact CG-CD 4.41Å; L203-K223 HydrophobicContact CG-CG 3.98Å; Y219-K223 PolarHBondContact O-N 3.35Å; G220-K223 CarbonylContact O-C 3.5Å; G220-K223 PolarHBondContact O-N 3.25Å; R221-K223 VanDerWaalsContact C-N 3.31Å; R221-K223 PolarHBondContact O-N 3.46Å; K223-G225 PolarHBondContact O-N 3.46Å; K223-L242 HydrophobicContact CG-CD2 4.1Å
224A86.4Confident88.4Confident74 Ų7476.7 Ų76.761%0.61246%0.456SS*.THydrogen-bonded Turntrans-800.7173.600000112.7G220 R221 L222G220-A224 WeakPolarHBondContact O-CB 3.39Å; G220-A224 PolarHBondContact O-N 2.95Å; R221-A224 CarbonylContact O-C 3.57Å; R221-A224 WeakPolarHBondContact O-CA 3.46Å; R221-A224 WeakPolarHBondContact O-CB 3.39Å; R221-A224 PolarHBondContact O-N 3.12Å; L222-A224 VanDerWaalsContact C-N 3.27Å; L222-A224 PolarHBondContact O-N 3.31Å
225G88.3Confident88.6Confident51 Ų5172.6 Ų72.653%0.52644%0.442SS..THydrogen-bonded Turntrans87.37.8-179.100000114.1R221 L222 K223R221-G225 PolarHBondContact O-N 2.94Å; L222-G225 PolarHBondContact O-N 2.85Å; L222-G225 VanDerWaalsContact O-N 3.08Å; K223-G225 PolarHBondContact O-N 3.46Å
226E91.5Very high88.8Confident85 Ų8568.1 Ų68.140%0.39741%0.413SS..  trans-82.8129.7177.8-61.9177.1-137.500111.6R221R221-E226 HydrophobicContact CB-CB 4.18Å; R221-E226 IonicContact CZ-OE2 3.9Å; R221-E226 VanDerWaalsContact CZ-OE2 3.29Å; R221-E226 IonicContact NE-OE2 3.06Å; R221-E226 PolarHBondContact NE-OE2 2.91Å; R221-E226 IonicContact NH2-OE2 2.9Å; R221-E226 PolarHBondContact NH2-OE2 3.26Å; R221-E226 WeakPolarHBondContact O-CB 3.4Å; R221-E226 PolarHBondContact O-N 2.87Å
227S92.9Very high89Confident41 Ų4170.2 Ų70.229%0.28741%0.412SS..  trans-71.3148.3168.3-64.50000111.7L236 H237S227-L236 VanDerWaalsContact CA-O 3.28Å; S227-L236 WeakPolarHBondContact CA-O 3.16Å; S227-L236 WeakPolarHBondContact CB-O 3.33Å; S227-H237 PolarHBondContact OG-ND1 2.72Å
228L91.6Very high89Confident7 Ų765.5 Ų65.54%0.03738%0.381CS..EExtended strand (participates in β ladder)trans-116.1138.4178.5-64-178.8000111L218 R221 L222 L236L218-L228 HydrophobicContact CB-CD1 3.81Å; L218-L228 HydrophobicContact CD2-CD1 4.08Å; L218-L228 HydrophobicContact CD2-CD2 4.01Å; L218-L228 HydrophobicContact CG-CD1 4.41Å; R221-L228 HydrophobicContact CB-CD2 4.14Å; L222-L228 HydrophobicContact CD1-CD1 3.71Å; L222-L228 HydrophobicContact CD2-CD1 3.98Å; L222-L228 HydrophobicContact CD2-CG 3.93Å; L222-L228 HydrophobicContact CG-CD1 3.56Å; L222-L228 HydrophobicContact CG-CG 3.96Å; L228-L236 PolarHBondContact N-O 3.4Å; L228-L236 PolarHBondContact O-N 3.42Å
229V90.9Very high89.1Confident107 Ų10766.6 Ų66.665%0.64840%0.395SS*.EExtended strand (participates in β ladder)trans-87.6122.9167.8-176.40000107.8L235V229-L235 HydrophobicContact CG2-CD1 3.89Å
230L86.8Confident89.1Confident24 Ų2468.3 Ų68.313%0.12640%0.404CS..  trans-78.5162.7176.9-55.3-177.9000110.6L211 I213 S232 G233 R234 L236L211-L230 HydrophobicContact CD2-CD1 4.46Å; I213-L230 HydrophobicContact CD1-CD2 3.72Å; I213-L230 HydrophobicContact CG1-CD2 4.03Å; L230-S232 PolarHBondContact O-N 3.29Å; L230-G233 WeakPolarHBondContact O-CA 3.01Å; L230-G233 PolarHBondContact O-N 2.88Å; L230-R234 HydrophobicContact CD1-CB 4.31Å; L230-R234 HydrophobicContact CD1-CG 4.42Å; L230-R234 WeakPolarHBondContact CG-O 3.38Å; L230-R234 PolarHBondContact N-O 2.91Å; L230-L236 HydrophobicContact CD1-CB 4.39Å; L230-L236 HydrophobicContact CD2-CB 4.14Å; L230-L236 HydrophobicContact CD2-CD2 4.13Å; L230-L236 HydrophobicContact CG-CB 4.21Å
231D84Confident89.2Confident183 Ų18366.3 Ų66.398%0.97938%0.383SS*.THydrogen-bonded Turntrans-58.2-23.2175.6-62.5-22.3000112.7G233D231-G233 PolarHBondContact O-N 2.97Å
232S83Confident89.2Confident96 Ų9662 Ų6267%0.67137%0.368SS*.THydrogen-bonded Turntrans-75-2.917361.40000114.4L230 R234L230-S232 PolarHBondContact O-N 3.29Å; S232-R234 PolarHBondContact O-N 3.09Å
233G85.4Confident89.3Confident57 Ų5766.2 Ų66.259%0.58839%0.388SS*.SBendtrans79.3-4.8-172.100000114.4L230 D231L230-G233 WeakPolarHBondContact O-CA 3.01Å; L230-G233 PolarHBondContact O-N 2.88Å; D231-G233 PolarHBondContact O-N 2.97Å
234R90.1Very high89.3Confident119 Ų11964.7 Ų64.745%0.44939%0.393SS..PPolyproline II helixtrans-70.2134.4176.9174.2177.5169.1-171.7-1.5110.8L230 S232 E240L230-R234 HydrophobicContact CD1-CB 4.31Å; L230-R234 HydrophobicContact CD1-CG 4.42Å; L230-R234 WeakPolarHBondContact CG-O 3.38Å; L230-R234 PolarHBondContact N-O 2.91Å; S232-R234 PolarHBondContact O-N 3.09Å; R234-E240 IonicContact CZ-OE2 3.32Å; R234-E240 IonicContact NH2-OE2 3.35Å; R234-E240 PolarHBondContact NH2-OE2 3.29Å
235L92.3Very high89.4Confident84 Ų8465.3 Ų65.344%0.4439%0.386SS..EExtended strand (participates in β ladder)trans-80.3123.9167.4-170.366.9000109.7V229V229-L235 HydrophobicContact CG2-CD1 3.89Å
236L91.8Very high89.5Confident0 Ų064.7 Ų64.70%037%0.37CS..EExtended strand (participates in β ladder)trans-102.9121.6175.6-179.768.5000109.5L208 L211 I213 L222 S227 L228 L230 E240 V241L208-L236 HydrophobicContact CD2-CD2 4.42Å; L211-L236 HydrophobicContact CD1-CD1 3.79Å; L211-L236 HydrophobicContact CD1-CD2 4.05Å; I213-L236 HydrophobicContact CD1-CD2 3.31Å; L222-L236 HydrophobicContact CD1-CD2 4.46Å; L222-L236 HydrophobicContact CD2-CD2 4.39Å; S227-L236 VanDerWaalsContact CA-O 3.28Å; S227-L236 WeakPolarHBondContact CA-O 3.16Å; S227-L236 WeakPolarHBondContact CB-O 3.33Å; L228-L236 PolarHBondContact N-O 3.4Å; L228-L236 PolarHBondContact O-N 3.42Å; L230-L236 HydrophobicContact CD1-CB 4.39Å; L230-L236 HydrophobicContact CD2-CB 4.14Å; L230-L236 HydrophobicContact CD2-CD2 4.13Å; L230-L236 HydrophobicContact CG-CB 4.21Å; L236-E240 HydrophobicContact CD1-CB 4.2Å; L236-V241 HydrophobicContact CD1-CG1 3.88Å; L236-V241 HydrophobicContact CD2-CG1 4.01Å; L236-V241 HydrophobicContact CD2-CG2 4.48Å; L236-V241 HydrophobicContact CG-CG1 4.27Å
237H92.4Very high89.6Confident82 Ų8263.2 Ų63.238%0.3837%0.368SS..PPolyproline II helixtrans-91145.3177.3-66.7-84.7000111.9S227 S239 E240S227-H237 PolarHBondContact OG-ND1 2.72Å; H237-S239 PolarHBondContact O-N 3.36Å; H237-E240 HydrophobicContact CB-CG 4.38Å; H237-E240 IonicContact CD2-OE1 3.7Å; H237-E240 PolarHBondContact N-OE1 3.47Å; H237-E240 WeakPolarHBondContact O-CB 3.49Å; H237-E240 PolarHBondContact O-N 2.95Å; H237-E240 VanDerWaalsContact O-N 3.08Å
238P89.9Confident89.6Confident16 Ų1661.3 Ų61.310%0.10436%0.355CS..Hα-helixtrans-53.9-37.6176.5-27.634.2000114L222 E240 V241 L242L222-P238 HydrophobicContact CD2-CG 4.41Å; L222-P238 WeakPolarHBondContact O-CB 3.5Å; P238-E240 PolarHBondContact O-N 3.44Å; P238-V241 CarbonylContact O-C 3.56Å; P238-V241 PolarHBondContact O-N 3.23Å; P238-L242 HydrophobicContact CB-CD1 3.68Å; P238-L242 HydrophobicContact CB-CG 4.46Å; P238-L242 VanDerWaalsContact O-CB 3.3Å; P238-L242 WeakPolarHBondContact O-CB 3.27Å; P238-L242 WeakPolarHBondContact O-CG 3.3Å; P238-L242 PolarHBondContact O-N 3.07Å
239S90.6Very high89.9Confident96 Ų9661.1 Ų61.167%0.67135%0.354SS*.Hα-helixtrans-60.7-24.5179.552.40000113.9H237H237-S239 PolarHBondContact O-N 3.36Å
240E90.4Very high90.2Very high66 Ų6657.3 Ų57.331%0.30833%0.329SS..Hα-helixtrans-73.7-34.2176.7-61.8176.5-101.500111.2K204 L207 R234 L236 H237 P238K204-E240 PolarHBondContact NZ-O 3.23Å; L207-E240 WeakPolarHBondContact CD2-O 3.35Å; R234-E240 IonicContact CZ-OE2 3.32Å; R234-E240 IonicContact NH2-OE2 3.35Å; R234-E240 PolarHBondContact NH2-OE2 3.29Å; L236-E240 HydrophobicContact CD1-CB 4.2Å; H237-E240 HydrophobicContact CB-CG 4.38Å; H237-E240 IonicContact CD2-OE1 3.7Å; H237-E240 PolarHBondContact N-OE1 3.47Å; H237-E240 WeakPolarHBondContact O-CB 3.49Å; H237-E240 PolarHBondContact O-N 2.95Å; H237-E240 VanDerWaalsContact O-N 3.08Å; P238-E240 PolarHBondContact O-N 3.44Å
241V90.4Very high90.8Very high0 Ų056.2 Ų56.20%032%0.323CS..Hα-helixtrans-115.2-2.3-167.9-65.50000114.6L203 K204 L207 L208 L211 L222 L236 P238L203-V241 WeakPolarHBondContact CA-O 3.24Å; K204-V241 WeakPolarHBondContact CB-O 3.18Å; K204-V241 PolarHBondContact N-O 3.07Å; L207-V241 HydrophobicContact CD2-CG1 3.98Å; L207-V241 HydrophobicContact CG-CG1 4.34Å; L208-V241 HydrophobicContact CD2-CB 3.79Å; L208-V241 HydrophobicContact CD2-CG1 3.76Å; L208-V241 HydrophobicContact CD2-CG2 4.07Å; L208-V241 HydrophobicContact CG-CB 4.2Å; L208-V241 HydrophobicContact CG-CG1 4.33Å; L211-V241 HydrophobicContact CD1-CG1 4.1Å; L222-V241 HydrophobicContact CD1-CG2 4.01Å; L222-V241 HydrophobicContact CD2-CG2 3.97Å; L222-V241 HydrophobicContact CG-CG2 4.43Å; L236-V241 HydrophobicContact CD1-CG1 3.88Å; L236-V241 HydrophobicContact CD2-CG1 4.01Å; L236-V241 HydrophobicContact CD2-CG2 4.48Å; L236-V241 HydrophobicContact CG-CG1 4.27Å; P238-V241 CarbonylContact O-C 3.56Å; P238-V241 PolarHBondContact O-N 3.23Å
242L89.8Confident91.5Very high18 Ų1847.5 Ų47.59%0.09428%0.276CS..BIsolated β-bridgetrans-102.2145170.4-66.5170.3000110.3G201 L203 K204 K223 P238G201-L242 WeakPolarHBondContact O-CD2 3.42Å; L203-L242 HydrophobicContact CD2-CD2 3.43Å; L203-L242 VanDerWaalsContact CD2-CD2 3.43Å; L203-L242 HydrophobicContact CD2-CG 4.24Å; L203-L242 HydrophobicContact CG-CD2 3.83Å; K204-L242 VanDerWaalsContact CE-O 3.27Å; K204-L242 WeakPolarHBondContact CE-O 3.34Å; K204-L242 PolarHBondContact NZ-O 2.73Å; K223-L242 HydrophobicContact CG-CD2 4.1Å; P238-L242 HydrophobicContact CB-CD1 3.68Å; P238-L242 HydrophobicContact CB-CG 4.46Å; P238-L242 VanDerWaalsContact O-CB 3.3Å; P238-L242 WeakPolarHBondContact O-CB 3.27Å; P238-L242 WeakPolarHBondContact O-CG 3.3Å; P238-L242 PolarHBondContact O-N 3.07Å
243E89.8Confident92.3Very high88 Ų8843.1 Ų43.141%0.41125%0.245SC..PPolyproline II helixtrans-67.6170.9158.6-68.6171.8-167.300109.9G201 R202 K204G201-E243 WeakPolarHBondContact CA-O 3.49Å; R202-E243 WeakPolarHBondContact CB-OE2 3.35Å; R202-E243 PolarHBondContact O-N 3.36Å; K204-E243 HydrophobicContact CG-CG 4.37Å
244A87.8Confident92.9Very high64 Ų6440.5 Ų40.553%0.52922%0.218SC..PPolyproline II helixtrans-60.1151.1173.800000110.9G201 Q369G201-A244 WeakPolarHBondContact CA-O 3.19Å; A244-Q369 VanDerWaalsContact CB-NE2 3.33Å; A244-Q369 PolarHBondContact O-NE2 2.99Å
245D89Confident93.3Very high87 Ų8734.9 Ų34.947%0.46520%0.197SC..PPolyproline II helixtrans-60.8149.4-179.9-69.4-19.2000111.2R199 P200 G201 P247 Q369R199-D245 WeakPolarHBondContact O-CA 3.23Å; P200-D245 WeakPolarHBondContact CA-OD1 3.49Å; G201-D245 PolarHBondContact N-OD1 3.09Å; G201-D245 VanDerWaalsContact N-OD1 3.16Å; D245-P247 WeakPolarHBondContact O-CD 3.26Å; D245-Q369 PolarHBondContact O-NE2 3.47Å
246I90.1Very high93.6Very high38 Ų3830.9 Ų30.920%0.19518%0.176CC..BIsolated β-bridgetrans-91.2111.7176.9-59.2169.4000106.1R199 G248R199-I246 HydrophobicContact CB-CB 4.33Å; R199-I246 PolarHBondContact N-O 3.3Å; R199-I246 PolarHBondContact O-N 3.41Å; I246-G248 PolarHBondContact O-N 3.43Å
247P92.1Very high93.9Very high54 Ų5430.9 Ų30.935%0.35118%0.176SC..PPolyproline II helixtrans-62137.8-176.6-20.431.9000110.8D198 D245 K367D198-P247 VanDerWaalsContact OD1-CA 3.27Å; D198-P247 WeakPolarHBondContact OD1-CA 3.4Å; D245-P247 WeakPolarHBondContact O-CD 3.26Å; P247-K367 HydrophobicContact CB-CD 4.11Å
248G94.6Very high94.2Very high1 Ų127.7 Ų27.71%0.0116%0.163CC..PPolyproline II helixtrans-63.1154.7176.300000111.9E196 D198 I246E196-G248 WeakPolarHBondContact O-CA 3.25Å; D198-G248 PolarHBondContact OD1-N 3.31Å; I246-G248 PolarHBondContact O-N 3.43Å
249R96.8Very high94.6Very high3 Ų329.4 Ų29.41%0.01118%0.175CC..PPolyproline II helixtrans-73.2143.8173.6-69.2163.8-71.2-175.77.7110.3M1 M3 E196 D273 I364 L366M1-R249 PolarHBondContact O-NH1 2.99Å; M3-R249 HydrophobicContact CE-CB 4.4Å; M3-R249 HydrophobicContact SD-CB 3.98Å; E196-R249 WeakPolarHBondContact CB-O 3.38Å; E196-R249 VanDerWaalsContact CD-NH2 3.28Å; E196-R249 PolarHBondContact N-O 2.82Å; E196-R249 IonicContact OE1-CZ 2.96Å; E196-R249 IonicContact OE1-NE 3.92Å; E196-R249 IonicContact OE1-NH2 3.35Å; E196-R249 PolarHBondContact OE1-NH2 2.81Å; E196-R249 IonicContact OE2-CZ 3.26Å; E196-R249 VanDerWaalsContact OE2-CZ 3.29Å; E196-R249 PolarHBondContact OE2-N 3.06Å; E196-R249 IonicContact OE2-NE 2.71Å; E196-R249 PolarHBondContact OE2-NE 3.43Å; E196-R249 IonicContact OE2-NH2 3.81Å; E196-R249 PolarHBondContact OE2-NH2 3.26Å; R249-D273 WeakPolarHBondContact CA-OD2 3.23Å; R249-I364 HydrophobicContact CB-CG2 4.2Å; R249-I364 WeakPolarHBondContact CD-O 3.38Å; R249-I364 HydrophobicContact CG-CG2 4.12Å; R249-I364 PolarHBondContact NH1-O 3.12Å; R249-L366 HydrophobicContact CG-CD2 4.29Å
250K98.1Very high94.9Very high28 Ų2825.9 Ų25.912%0.12215%0.15CC..EExtended strand (participates in β ladder)trans-123.3123.6176.4-177.4-175.9-71.7-170.20110.8I194 L268 D270 A272 D273 V274I194-K250 WeakPolarHBondContact O-CA 3.39Å; K250-L268 WeakPolarHBondContact CD-O 3.41Å; K250-L268 WeakPolarHBondContact CE-O 3.33Å; K250-L268 PolarHBondContact NZ-O 2.93Å; K250-D270 WeakPolarHBondContact CD-O 3.33Å; K250-D270 WeakPolarHBondContact CE-O 3.42Å; K250-D270 PolarHBondContact NZ-O 3.48Å; K250-A272 HydrophobicContact CD-CB 4.18Å; K250-A272 HydrophobicContact CG-CB 4.32Å; K250-D273 PolarHBondContact N-OD2 3.42Å; K250-D273 WeakPolarHBondContact O-CB 3.38Å; K250-D273 PolarHBondContact O-N 3.23Å; K250-V274 PolarHBondContact O-N 3.02Å
251V98.6Very high95.3Very high0 Ų024.1 Ų24.10%014%0.142CC..EExtended strand (participates in β ladder)trans-119.9130.2175.4-176.30000109M3 M5 L26 I194 V253 V274 I364M3-V251 HydrophobicContact SD-CG2 4.06Å; M5-V251 HydrophobicContact SD-CG1 3.93Å; L26-V251 HydrophobicContact CD1-CG2 4.26Å; I194-V251 HydrophobicContact CB-CB 4.41Å; I194-V251 WeakPolarHBondContact CD1-O 3.48Å; I194-V251 PolarHBondContact N-O 2.85Å; I194-V251 PolarHBondContact O-N 2.75Å; V251-V253 HydrophobicContact CG1-CG2 4.17Å; V251-V274 WeakPolarHBondContact CA-O 3.36Å; V251-V274 HydrophobicContact CG1-CB 4.38Å; V251-I364 HydrophobicContact CG2-CD1 3.42Å; V251-I364 VanDerWaalsContact CG2-CD1 3.42Å; V251-I364 HydrophobicContact CG2-CG2 4.49Å
252C98.8Very high95.4Very high0 Ų026 Ų260%016%0.161CC..EExtended strand (participates in β ladder)trans-119128176.1-58.60000109.4F192 F254 A272 V274 L275 V276F192-C252 CarbonylContact O-C 3.49Å; F192-C252 VanDerWaalsContact O-CA 3.25Å; F192-C252 WeakPolarHBondContact O-CA 3.44Å; C252-F254 HydrophobicContact CB-CE2 4.15Å; C252-A272 HydrophobicContact CB-CB 4.48Å; C252-V274 PolarHBondContact N-O 3.48Å; C252-L275 HydrophobicContact CB-CG 4.4Å; C252-L275 CarbonylContact O-C 3.47Å; C252-L275 WeakPolarHBondContact O-CA 3.32Å; C252-V276 PolarHBondContact O-N 3.45Å
253V98.8Very high95.5Very high4 Ų431.6 Ų31.62%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-121.7111.5179.8-174.30000108.2F35 G191 F192 V251 V276F35-V253 HydrophobicContact CB-CG1 4.03Å; F35-V253 HydrophobicContact CD1-CB 4.06Å; F35-V253 HydrophobicContact CD1-CG1 4.23Å; F35-V253 HydrophobicContact CD1-CG2 4.2Å; F35-V253 HydrophobicContact CD2-CG2 4.38Å; F35-V253 HydrophobicContact CE1-CG2 4.41Å; F35-V253 HydrophobicContact CG-CB 4.33Å; F35-V253 HydrophobicContact CG-CG1 4.16Å; F35-V253 HydrophobicContact CG-CG2 4.2Å; G191-V253 CarbonylContact C-O 3.46Å; G191-V253 WeakPolarHBondContact CA-O 3.4Å; F192-V253 PolarHBondContact N-O 3.1Å; F192-V253 PolarHBondContact O-N 3.2Å; V251-V253 HydrophobicContact CG1-CG2 4.17Å; V253-V276 HydrophobicContact CG1-CB 4.34Å; V253-V276 HydrophobicContact CG2-CG2 4.32Å
254F98.8Very high95.6Very high2 Ų227.4 Ų27.41%0.00917%0.168CC..  trans-86.3141.4176.7-71.6-121.1000108.5F181 L183 C252 V260 L275 V276 H277 V303 Y315F181-F254 AromaticContact CE2-CD1 3.87Å; F181-F254 HydrophobicContact CE2-CD1 3.87Å; F181-F254 AromaticContact CE2-CE1 3.52Å; F181-F254 HydrophobicContact CE2-CE1 3.52Å; F181-F254 HydrophobicContact CE2-CE2 4.26Å; F181-F254 HydrophobicContact CE2-CG 4.36Å; F181-F254 AromaticContact CE2-CZ 3.73Å; F181-F254 HydrophobicContact CE2-CZ 3.73Å; F181-F254 HydrophobicContact CZ-CD1 4.08Å; F181-F254 AromaticContact CZ-CD2 3.95Å; F181-F254 HydrophobicContact CZ-CD2 3.95Å; F181-F254 AromaticContact CZ-CE1 3.78Å; F181-F254 HydrophobicContact CZ-CE1 3.78Å; F181-F254 AromaticContact CZ-CE2 3.64Å; F181-F254 HydrophobicContact CZ-CE2 3.64Å; F181-F254 HydrophobicContact CZ-CG 4.15Å; F181-F254 AromaticContact CZ-CZ 3.54Å; F181-F254 HydrophobicContact CZ-CZ 3.54Å; L183-F254 HydrophobicContact CD1-CB 4.27Å; L183-F254 HydrophobicContact CD1-CD1 4.25Å; L183-F254 HydrophobicContact CD2-CD1 3.83Å; L183-F254 HydrophobicContact CD2-CE1 4.15Å; C252-F254 HydrophobicContact CB-CE2 4.15Å; F254-V260 HydrophobicContact CD1-CG2 4.45Å; F254-V260 HydrophobicContact CE1-CG2 3.75Å; F254-L275 HydrophobicContact CD2-CD2 4.17Å; F254-L275 HydrophobicContact CD2-CG 4.25Å; F254-L275 HydrophobicContact CE2-CD1 3.86Å; F254-L275 HydrophobicContact CE2-CD2 3.98Å; F254-L275 HydrophobicContact CE2-CG 3.76Å; F254-L275 HydrophobicContact CZ-CD1 4.3Å; F254-V276 WeakPolarHBondContact CB-O 3.33Å; F254-V276 WeakPolarHBondContact CD2-O 3.4Å; F254-V276 PolarHBondContact N-O 3.38Å; F254-H277 AromaticContact CD1-CD2 3.47Å; F254-H277 VanDerWaalsContact CD1-CD2 3.47Å; F254-H277 WeakPolarHBondContact CD1-CD2 3.39Å; F254-H277 AromaticContact CD1-NE2 3.64Å; F254-H277 AromaticContact CE1-CD2 3.92Å; F254-H277 AromaticContact CG-CD2 3.64Å; F254-V303 HydrophobicContact CE1-CG1 3.86Å; F254-V303 HydrophobicContact CZ-CG1 3.67Å; F254-Y315 PolarHBondContact O-OH 3.09Å
255G98.7Very high95.9Very high1 Ų124.4 Ų24.41%0.0114%0.143CC..  trans-81.2-170.6161.400000111.5F190 C257F190-G255 PolarHBondContact O-N 3.09Å; G255-C257 PolarHBondContact O-N 3.28Å
256D98.8Very high96.3Very high1 Ų123.4 Ų23.41%0.00514%0.135CC..SBendtrans-61.5133.1176.2-67.513.2000110.8H62 H67 H185 S189 E278 H294 H316H62-D256 IonicContact CE1-OD1 3.32Å; H62-D256 IonicContact CE1-OD2 2.75Å; H62-D256 PolarHBondContact CE1-OD2 3.45Å; H62-D256 IonicContact NE2-OD2 3.59Å; H67-D256 IonicContact CE1-OD1 3.49Å; H67-D256 PolarHBondContact CE1-OD1 2.81Å; H67-D256 IonicContact CE1-OD2 3.54Å; H67-D256 IonicContact NE2-OD1 3.13Å; H67-D256 PolarHBondContact NE2-OD1 3.3Å; H67-D256 IonicContact NE2-OD2 2.76Å; H67-D256 PolarHBondContact NE2-OD2 3.2Å; H185-D256 WeakPolarHBondContact CB-O 3.33Å; S189-D256 VanDerWaalsContact CB-O 3.23Å; S189-D256 WeakPolarHBondContact CB-O 3.22Å; S189-D256 PolarHBondContact OG-O 3.14Å; D256-E278 WeakPolarHBondContact CA-OE1 3.31Å; D256-H294 IonicContact OD2-CE1 3.09Å; D256-H294 PolarHBondContact OD2-CE1 3.17Å; D256-H294 VanDerWaalsContact OD2-CE1 3.26Å; D256-H294 IonicContact OD2-ND1 3.79Å; D256-H316 IonicContact OD1-CD2 3.83Å; D256-H316 IonicContact OD1-CE1 3.12Å; D256-H316 PolarHBondContact OD1-CE1 3.26Å; D256-H316 VanDerWaalsContact OD1-CE1 3.28Å; D256-H316 IonicContact OD1-CG 3.51Å; D256-H316 IonicContact OD1-ND1 2.65Å; D256-H316 PolarHBondContact OD1-ND1 2.78Å; D256-H316 IonicContact OD1-NE2 3.15Å; D256-H316 IonicContact OD2-CE1 3.85Å; D256-H316 PolarHBondContact OD2-CE1 3.27Å; D256-H316 IonicContact OD2-ND1 3.22Å; D256-H316 IonicContact OD2-NE2 3.53Å
257C98.6Very high96.6Very high0 Ų028 Ų280%015%0.15CC..  trans-164.9150.4-178.764.40000114L183 F184 G255 E278 G293 H294 S295L183-C257 HydrophobicContact CB-CB 3.71Å; L183-C257 HydrophobicContact CD1-CB 3.96Å; L183-C257 HydrophobicContact CD2-CB 4.11Å; L183-C257 HydrophobicContact CG-CB 4.14Å; F184-C257 CarbonylContact O-C 3.54Å; F184-C257 WeakPolarHBondContact O-CA 3.34Å; F184-C257 WeakPolarHBondContact O-CB 3.29Å; G255-C257 PolarHBondContact O-N 3.28Å; C257-E278 PolarHBondContact N-OE1 2.78Å; C257-G293 CarbonylContact C-O 3.59Å; C257-G293 VanDerWaalsContact CA-O 3.23Å; C257-G293 WeakPolarHBondContact CA-O 3.32Å; C257-G293 PolarHBondContact N-O 2.72Å; C257-H294 CarbonylContact O-C 3.55Å; C257-H294 WeakPolarHBondContact O-CA 3.23Å; C257-S295 WeakPolarHBondContact O-CB 3.34Å; C257-S295 PolarHBondContact O-N 3.27Å; C257-S295 VanDerWaalsContact O-N 3.15Å; C257-S295 PolarHBondContact O-OG 2.99Å
258S98.3Very high96.8Very high14 Ų1426.6 Ų26.610%0.09814%0.139CC..SBendtrans-102.9-16.4164.661.50000112.5F184 G293 H294 M299F184-S258 WeakPolarHBondContact CD1-OG 3.38Å; F184-S258 PolarHBondContact O-N 3.2Å; S258-G293 PolarHBondContact N-O 3.19Å; S258-H294 WeakPolarHBondContact CA-O 3.36Å; S258-H294 WeakPolarHBondContact CB-O 3.4Å; S258-M299 WeakPolarHBondContact O-CE 3.34Å
259S97.8Very high97Very high52 Ų5226.6 Ų26.636%0.36414%0.139SC..EExtended strand (participates in β ladder)trans-156.5159.4171.665.30000112.7F184F184-S259 VanDerWaalsContact CB-OG 3.24Å; F184-S259 WeakPolarHBondContact CB-OG 3.28Å; F184-S259 PolarHBondContact N-O 3.34Å
260V97.9Very high97.1Very high23 Ų2329.4 Ų29.414%0.13915%0.154CC..EExtended strand (participates in β ladder)trans-93.7133.4173.5-175.70000108.6L183 F254 A265 F266 V303L183-V260 HydrophobicContact CD2-CB 4.34Å; L183-V260 HydrophobicContact CD2-CG1 4.34Å; L183-V260 HydrophobicContact CD2-CG2 4Å; F254-V260 HydrophobicContact CD1-CG2 4.45Å; F254-V260 HydrophobicContact CE1-CG2 3.75Å; V260-A265 HydrophobicContact CG1-CB 3.17Å; V260-F266 HydrophobicContact CB-CE2 4.5Å; V260-F266 HydrophobicContact CB-CZ 4.1Å; V260-F266 HydrophobicContact CG1-CE2 4.35Å; V260-F266 HydrophobicContact CG1-CZ 4.28Å; V260-V303 HydrophobicContact CG2-CG2 4.02Å
261L97Very high97Very high28 Ų2836.5 Ų36.515%0.14718%0.18CC..  trans-101.2130-177.5-64.9174.1000111.5D130 Q131 R182 F184D130-L261 VanDerWaalsContact O-CD1 3.24Å; D130-L261 WeakPolarHBondContact O-CD1 3.35Å; Q131-L261 HydrophobicContact CB-CD1 4.25Å; Q131-L261 HydrophobicContact CG-CD1 3.84Å; R182-L261 HydrophobicContact CB-CB 4.02Å; R182-L261 HydrophobicContact CB-CD1 4.43Å; R182-L261 PolarHBondContact O-N 3.01Å; R182-L261 VanDerWaalsContact O-N 3.16Å; F184-L261 HydrophobicContact CB-CD1 4.11Å; F184-L261 HydrophobicContact CB-CD2 4.19Å; F184-L261 HydrophobicContact CB-CG 4.11Å
262G93.5Very high97Very high39 Ų3936.5 Ų36.540%0.40218%0.18SC..SBendtrans73.2179.9-179.400000114D166D166-G262 VanDerWaalsContact OD2-CA 3.25Å; D166-G262 WeakPolarHBondContact OD2-CA 3.4Å
263E91.9Very high97Very high136 Ų13636.7 Ų36.764%0.63618%0.181SC*.SBendtrans-95.1-15.8-178.1-65.7-172.9170.600113D166 A265 F266 R267D166-E263 PolarHBondContact OD2-N 3.4Å; D166-E263 VanDerWaalsContact OD2-N 3.09Å; E263-A265 PolarHBondContact O-N 3.35Å; E263-F266 PolarHBondContact O-N 3.32Å; E263-R267 PolarHBondContact O-N 3.45Å; E263-R267 IonicContact OE2-NH1 2.69Å; E263-R267 PolarHBondContact OE2-NH1 3.08Å
264G90.8Very high97Very high1 Ų136.5 Ų36.51%0.0118%0.18CC..Hα-helixtrans-57.9-39.9-177.600000112.1D166 F266 R267 L268D166-G264 PolarHBondContact OD2-N 3.06Å; G264-F266 PolarHBondContact O-N 3.07Å; G264-R267 PolarHBondContact O-N 3.18Å; G264-L268 WeakPolarHBondContact O-CB 3.44Å; G264-L268 VanDerWaalsContact O-CG 3.27Å; G264-L268 WeakPolarHBondContact O-CG 3.46Å; G264-L268 PolarHBondContact O-N 2.81Å
265A94.9Very high97Very high1 Ų136.4 Ų36.41%0.00818%0.18CC..Hα-helixtrans-57.5-48176.700000112.7F181 V260 E263 R267 L268 C269F181-A265 HydrophobicContact CB-CB 3.94Å; F181-A265 HydrophobicContact CD2-CB 3.43Å; F181-A265 VanDerWaalsContact CD2-CB 3.43Å; F181-A265 HydrophobicContact CE2-CB 4.01Å; F181-A265 HydrophobicContact CG-CB 3.72Å; V260-A265 HydrophobicContact CG1-CB 3.17Å; E263-A265 PolarHBondContact O-N 3.35Å; A265-R267 PolarHBondContact O-N 3.36Å; A265-L268 PolarHBondContact O-N 3.2Å; A265-C269 VanDerWaalsContact O-CB 3.3Å; A265-C269 WeakPolarHBondContact O-CB 3.38Å; A265-C269 PolarHBondContact O-N 3.22Å; A265-C269 PolarHBondContact O-SG 2.82Å
266F97.6Very high97Very high66 Ų6636.4 Ų36.429%0.28918%0.179SC..Hα-helixtrans-65.8-38.1-180-61.1-67.9000112V260 E263 G264 C269 D270 V303 T306V260-F266 HydrophobicContact CB-CE2 4.5Å; V260-F266 HydrophobicContact CB-CZ 4.1Å; V260-F266 HydrophobicContact CG1-CE2 4.35Å; V260-F266 HydrophobicContact CG1-CZ 4.28Å; E263-F266 PolarHBondContact O-N 3.32Å; G264-F266 PolarHBondContact O-N 3.07Å; F266-C269 PolarHBondContact O-N 3.44Å; F266-D270 PolarHBondContact O-N 2.88Å; F266-V303 HydrophobicContact CE1-CG1 4.45Å; F266-T306 HydrophobicContact CD1-CG2 3.52Å; F266-T306 HydrophobicContact CE1-CG2 3.88Å; F266-T306 HydrophobicContact CG-CG2 4.06Å
267R96.4Very high97Very high134 Ų13436.4 Ų36.451%0.50618%0.179SC..Hα-helixtrans-64.4-40.7173.5-68.4-169.4-68-104.32.6112.4E263 G264 A265E263-R267 PolarHBondContact O-N 3.45Å; E263-R267 IonicContact OE2-NH1 2.69Å; E263-R267 PolarHBondContact OE2-NH1 3.08Å; G264-R267 PolarHBondContact O-N 3.18Å; A265-R267 PolarHBondContact O-N 3.36Å
268L97.2Very high97Very high25 Ų2536.4 Ų36.413%0.13118%0.179CC..Hα-helixtrans-67.3-43.6178-72.3176.8000111.7C167 K179 F181 C193 K250 G264 A265 D270C167-L268 HydrophobicContact CB-CD1 3.66Å; K179-L268 HydrophobicContact CB-CD1 4.16Å; K179-L268 HydrophobicContact CB-CD2 4.3Å; K179-L268 HydrophobicContact CD-CD2 3.51Å; F181-L268 HydrophobicContact CB-CD1 4.21Å; F181-L268 HydrophobicContact CD1-CD1 4.13Å; C193-L268 HydrophobicContact CB-CB 4.1Å; C193-L268 PolarHBondContact SG-O 2.93Å; C193-L268 VanDerWaalsContact SG-O 3.36Å; K250-L268 WeakPolarHBondContact CD-O 3.41Å; K250-L268 WeakPolarHBondContact CE-O 3.33Å; K250-L268 PolarHBondContact NZ-O 2.93Å; G264-L268 WeakPolarHBondContact O-CB 3.44Å; G264-L268 VanDerWaalsContact O-CG 3.27Å; G264-L268 WeakPolarHBondContact O-CG 3.46Å; G264-L268 PolarHBondContact O-N 2.81Å; A265-L268 PolarHBondContact O-N 3.2Å; L268-D270 VanDerWaalsContact C-N 3.33Å
269C98.1Very high96.9Very high0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-82.3-7.6-175.7-64.80000113.8A265 F266 R271 A272 L275 C307A265-C269 VanDerWaalsContact O-CB 3.3Å; A265-C269 WeakPolarHBondContact O-CB 3.38Å; A265-C269 PolarHBondContact O-N 3.22Å; A265-C269 PolarHBondContact O-SG 2.82Å; F266-C269 PolarHBondContact O-N 3.44Å; C269-R271 PolarHBondContact O-N 2.81Å; C269-A272 VanDerWaalsContact O-CB 3.29Å; C269-A272 WeakPolarHBondContact O-CB 3.3Å; C269-A272 PolarHBondContact O-N 2.94Å; C269-L275 HydrophobicContact CB-CD1 4.44Å; C269-C307 HydrophobicContact CB-CB 4.05Å; C269-C307 WeakPolarHBondContact CB-SG 3.29Å
270D97.8Very high96.9Very high63 Ų6333.6 Ų33.634%0.33716%0.159SC..THydrogen-bonded Turntrans-51.2128179.3-17751.8000112K250 F266 L268 A272 C307K250-D270 WeakPolarHBondContact CD-O 3.33Å; K250-D270 WeakPolarHBondContact CE-O 3.42Å; K250-D270 PolarHBondContact NZ-O 3.48Å; F266-D270 PolarHBondContact O-N 2.88Å; L268-D270 VanDerWaalsContact C-N 3.33Å; D270-A272 VanDerWaalsContact C-N 3.25Å; D270-A272 PolarHBondContact O-N 2.87Å; D270-C307 CarbonylContact C-O 3.55Å; D270-C307 WeakPolarHBondContact CA-O 3.4Å
271R97.3Very high96.9Very high176 Ų17633.2 Ų33.266%0.66416%0.156SC*.THydrogen-bonded Turntrans5435.9-178-56.3174.6-175.1-160.4-1.7114C269 D273 C307C269-R271 PolarHBondContact O-N 2.81Å; R271-D273 PolarHBondContact O-N 3.17Å; R271-C307 PolarHBondContact N-O 2.65Å
272A98.2Very high96.9Very high0 Ų031.9 Ų31.90%015%0.149CC..  trans-56.1134.9171.700000111.5K250 C252 C269 D270 V274 L275 A309 R310K250-A272 HydrophobicContact CD-CB 4.18Å; K250-A272 HydrophobicContact CG-CB 4.32Å; C252-A272 HydrophobicContact CB-CB 4.48Å; C269-A272 VanDerWaalsContact O-CB 3.29Å; C269-A272 WeakPolarHBondContact O-CB 3.3Å; C269-A272 PolarHBondContact O-N 2.94Å; D270-A272 VanDerWaalsContact C-N 3.25Å; D270-A272 PolarHBondContact O-N 2.87Å; A272-V274 VanDerWaalsContact C-N 3.33Å; A272-L275 HydrophobicContact CB-CB 4.46Å; A272-A309 HydrophobicContact CB-CB 4.47Å; A272-A309 CarbonylContact O-C 3.47Å; A272-A309 WeakPolarHBondContact O-CA 3.43Å; A272-R310 PolarHBondContact O-N 3.26Å
273D98.4Very high97.1Very high5 Ų532 Ų323%0.02714%0.141CC..SBendtrans-73.6-30.2174.9-70.2-73.9000112.1R249 K250 R271 R311 I364 K367R249-D273 WeakPolarHBondContact CA-OD2 3.23Å; K250-D273 PolarHBondContact N-OD2 3.42Å; K250-D273 WeakPolarHBondContact O-CB 3.38Å; K250-D273 PolarHBondContact O-N 3.23Å; R271-D273 PolarHBondContact O-N 3.17Å; D273-R311 PolarHBondContact O-NE 3.03Å; D273-I364 HydrophobicContact CB-CG2 4.15Å; D273-K367 WeakPolarHBondContact OD1-CE 3.42Å; D273-K367 IonicContact OD1-NZ 4Å; D273-K367 WeakPolarHBondContact OD2-CE 3.47Å; D273-K367 IonicContact OD2-NZ 3.76Å; D273-K367 PolarHBondContact OD2-NZ 2.7Å; D273-K367 VanDerWaalsContact OD2-NZ 3.16Å
274V98.7Very high97.3Very high0 Ų030.7 Ų30.70%014%0.135CC..EExtended strand (participates in β ladder)trans-143.4126.4173.5-179.70000107.9M5 K250 V251 C252 A272 V276 V313 I364M5-V274 HydrophobicContact CE-CG1 3.89Å; M5-V274 HydrophobicContact SD-CG1 4.47Å; K250-V274 PolarHBondContact O-N 3.02Å; V251-V274 WeakPolarHBondContact CA-O 3.36Å; V251-V274 HydrophobicContact CG1-CB 4.38Å; C252-V274 PolarHBondContact N-O 3.48Å; A272-V274 VanDerWaalsContact C-N 3.33Å; V274-V276 HydrophobicContact CG1-CG2 4.09Å; V274-V313 HydrophobicContact CG1-CG2 3.8Å; V274-I364 HydrophobicContact CB-CD1 4.36Å; V274-I364 HydrophobicContact CG2-CD1 3.79Å; V274-I364 HydrophobicContact CG2-CG1 3.93Å; V274-I364 HydrophobicContact CG2-CG2 4.42Å
275L98.8Very high97.6Very high0 Ų033.2 Ų33.20%015%0.146CC..EExtended strand (participates in β ladder)trans-117.5117.7170.7-170.7150.6000107.9C252 F254 C269 A272 H277 V303 C307 A309 R311 L312 V313C252-L275 HydrophobicContact CB-CG 4.4Å; C252-L275 CarbonylContact O-C 3.47Å; C252-L275 WeakPolarHBondContact O-CA 3.32Å; F254-L275 HydrophobicContact CD2-CD2 4.17Å; F254-L275 HydrophobicContact CD2-CG 4.25Å; F254-L275 HydrophobicContact CE2-CD1 3.86Å; F254-L275 HydrophobicContact CE2-CD2 3.98Å; F254-L275 HydrophobicContact CE2-CG 3.76Å; F254-L275 HydrophobicContact CZ-CD1 4.3Å; C269-L275 HydrophobicContact CB-CD1 4.44Å; A272-L275 HydrophobicContact CB-CB 4.46Å; L275-H277 HydrophobicContact CD2-CB 3.84Å; L275-V303 HydrophobicContact CD1-CG1 4.26Å; L275-C307 HydrophobicContact CD1-CB 4.19Å; L275-A309 HydrophobicContact CB-CB 3.95Å; L275-A309 HydrophobicContact CD1-CB 4.23Å; L275-R311 PolarHBondContact N-O 2.96Å; L275-L312 HydrophobicContact CD2-CD1 3.71Å; L275-L312 CarbonylContact O-C 3.54Å; L275-L312 WeakPolarHBondContact O-CA 3.38Å; L275-V313 PolarHBondContact O-N 3.05Å
276V98.9Very high97.7Very high0 Ų038.7 Ų38.70%017%0.167CC..EExtended strand (participates in β ladder)trans-99124.6176.4-174.40000108.1M5 F7 C252 V253 F254 V274 V313 Y315M5-V276 HydrophobicContact CE-CG2 3.17Å; M5-V276 HydrophobicContact SD-CG2 3.84Å; F7-V276 HydrophobicContact CE1-CG1 3.94Å; F7-V276 HydrophobicContact CZ-CG1 4.23Å; F7-V276 HydrophobicContact CZ-CG2 4.22Å; C252-V276 PolarHBondContact O-N 3.45Å; V253-V276 HydrophobicContact CG1-CB 4.34Å; V253-V276 HydrophobicContact CG2-CG2 4.32Å; F254-V276 WeakPolarHBondContact CB-O 3.33Å; F254-V276 WeakPolarHBondContact CD2-O 3.4Å; F254-V276 PolarHBondContact N-O 3.38Å; V274-V276 HydrophobicContact CG1-CG2 4.09Å; V276-V313 WeakPolarHBondContact CA-O 3.48Å; V276-V313 HydrophobicContact CG2-CB 4.32Å; V276-Y315 HydrophobicContact CG1-CD1 3.44Å; V276-Y315 VanDerWaalsContact CG1-CD1 3.44Å; V276-Y315 HydrophobicContact CG1-CE1 3.85Å; V276-Y315 HydrophobicContact CG1-CG 3.91Å
277H98.8Very high97.7Very high2 Ų243 Ų431%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-140142-177.3-158.7-69000111F254 L275 S295 A300 L312 V313 L314 Y315F254-H277 AromaticContact CD1-CD2 3.47Å; F254-H277 VanDerWaalsContact CD1-CD2 3.47Å; F254-H277 WeakPolarHBondContact CD1-CD2 3.39Å; F254-H277 AromaticContact CD1-NE2 3.64Å; F254-H277 AromaticContact CE1-CD2 3.92Å; F254-H277 AromaticContact CG-CD2 3.64Å; L275-H277 HydrophobicContact CD2-CB 3.84Å; H277-S295 PolarHBondContact CE1-OG 3.19Å; H277-A300 HydrophobicContact CB-CB 3.93Å; H277-L312 HydrophobicContact CB-CD1 3.93Å; H277-V313 PolarHBondContact N-O 3.28Å; H277-L314 WeakPolarHBondContact O-CA 3.33Å; H277-Y315 VanDerWaalsContact C-CD1 3.44Å; H277-Y315 WeakPolarHBondContact O-CD1 3.49Å; H277-Y315 PolarHBondContact O-N 3.43Å; H277-Y315 VanDerWaalsContact O-N 3.08Å
278E98.5Very high97.8Very high0 Ų041.9 Ų41.90%019%0.187CC..EExtended strand (participates in β ladder)trans-66.1147.1174.965.7136.5118.200111.6D256 C257 T280 H294 S295 Y315 H316D256-E278 WeakPolarHBondContact CA-OE1 3.31Å; C257-E278 PolarHBondContact N-OE1 2.78Å; E278-T280 WeakPolarHBondContact OE2-CB 3.42Å; E278-T280 PolarHBondContact OE2-OG1 2.91Å; E278-H294 WeakPolarHBondContact OE1-CA 3.5Å; E278-H294 IonicContact OE1-CE1 2.74Å; E278-H294 IonicContact OE1-CG 2.76Å; E278-H294 IonicContact OE1-ND1 3.83Å; E278-H294 PolarHBondContact OE1-ND1 3.22Å; E278-H294 WeakPolarHBondContact OE2-CB 3.43Å; E278-H294 IonicContact OE2-CG 3.64Å; E278-H294 IonicContact OE2-ND1 2.9Å; E278-H294 PolarHBondContact OE2-ND1 3.41Å; E278-S295 PolarHBondContact OE2-N 3.2Å; E278-Y315 WeakPolarHBondContact CA-O 3.32Å; E278-Y315 HydrophobicContact CB-CE1 4.11Å; E278-H316 HydrophobicContact CB-CB 3.75Å
279A97.7Very high97.8Very high0 Ų040.7 Ų40.70%018%0.18CC..  trans-141.767.9169.100000108.5L281 S295 P297 L314 Y315A279-L281 VanDerWaalsContact C-N 3.3Å; A279-L281 PolarHBondContact O-N 3.25Å; A279-S295 CarbonylContact C-O 3.53Å; A279-S295 WeakPolarHBondContact CA-O 3.32Å; A279-P297 HydrophobicContact CB-CG 4.14Å; A279-L314 HydrophobicContact CB-CB 4.15Å; A279-L314 HydrophobicContact CB-CD1 4.11Å; A279-L314 HydrophobicContact CB-CD2 4.04Å; A279-L314 HydrophobicContact CB-CG 4.32Å; A279-Y315 PolarHBondContact N-O 3.32Å
280T97.5Very high97.8Very high7 Ų743.6 Ų43.64%0.04320%0.198CC..  trans-61.6-37.8-169.6-58.40000112.7E278 H294 S295 H316 S318E278-T280 WeakPolarHBondContact OE2-CB 3.42Å; E278-T280 PolarHBondContact OE2-OG1 2.91Å; T280-H294 HydrophobicContact CG2-CB 4.43Å; T280-H294 PolarHBondContact OG1-ND1 2.91Å; T280-S295 PolarHBondContact N-O 3.22Å; T280-H316 VanDerWaalsContact CA-O 3.27Å; T280-H316 WeakPolarHBondContact CA-O 3.41Å; T280-H316 PolarHBondContact OG1-ND1 2.7Å; T280-H316 PolarHBondContact OG1-O 3.14Å; T280-S318 WeakPolarHBondContact O-CB 3.44Å; T280-S318 PolarHBondContact O-N 3.37Å
281L97.5Very high97.7Very high14 Ų1446 Ų467%0.07321%0.21CC..SBendtrans-134.7152.5-178.5-62.4173.4000111.5A279 H285 K288 A289 T296 P297 Y321A279-L281 VanDerWaalsContact C-N 3.3Å; A279-L281 PolarHBondContact O-N 3.25Å; L281-H285 HydrophobicContact CB-CB 3.91Å; L281-H285 HydrophobicContact CD1-CB 4.07Å; L281-H285 HydrophobicContact CG-CB 4.49Å; L281-K288 HydrophobicContact CD1-CB 4.29Å; L281-K288 HydrophobicContact CD1-CD 4.15Å; L281-K288 HydrophobicContact CD1-CG 4.02Å; L281-A289 HydrophobicContact CB-CB 4.28Å; L281-A289 HydrophobicContact CD1-CB 4.18Å; L281-T296 VanDerWaalsContact O-CA 3.26Å; L281-T296 WeakPolarHBondContact O-CA 3.37Å; L281-T296 WeakPolarHBondContact O-CB 3.49Å; L281-P297 WeakPolarHBondContact O-CD 3.5Å; L281-Y321 HydrophobicContact CD2-CE2 4.34Å
282G97Very high97.7Very high0 Ų041.2 Ų41.20%020%0.196CC..  trans-65.2162.7173.100000113E284 H285 Y321G282-E284 WeakPolarHBondContact CA-OE1 3.46Å; G282-E284 WeakPolarHBondContact CA-OE2 3.16Å; G282-E284 PolarHBondContact O-N 3.39Å; G282-E284 VanDerWaalsContact O-N 3.16Å; G282-H285 PolarHBondContact O-N 3.34Å; G282-Y321 PolarHBondContact N-OH 3.14Å
283N97.4Very high97.7Very high43 Ų4341.3 Ų41.323%0.2320%0.197CC..G310 helixtrans-57.4-29.7-176.6-69-19.9000113.1H285 R286 T296 E298 Q341N283-H285 PolarHBondContact O-N 2.76Å; N283-R286 WeakPolarHBondContact O-CB 3.34Å; N283-R286 PolarHBondContact O-N 2.61Å; N283-T296 VanDerWaalsContact OD1-CB 3.25Å; N283-T296 WeakPolarHBondContact OD1-CB 3.25Å; N283-T296 PolarHBondContact OD1-OG1 3.36Å; N283-E298 VanDerWaalsContact OD1-CB 3.25Å; N283-E298 WeakPolarHBondContact OD1-CB 3.39Å; N283-E298 PolarHBondContact OD1-N 3.39Å; N283-E298 VanDerWaalsContact OD1-N 3.07Å; N283-Q341 WeakPolarHBondContact ND2-CB 3.35Å
284E96.3Very high97.7Very high107 Ų10742 Ų4250%0.520%0.199SC..G310 helixtrans-62.1-17.7174.270.2-71.7165.400113.6G282 Y321 Q341G282-E284 WeakPolarHBondContact CA-OE1 3.46Å; G282-E284 WeakPolarHBondContact CA-OE2 3.16Å; G282-E284 PolarHBondContact O-N 3.39Å; G282-E284 VanDerWaalsContact O-N 3.16Å; E284-Y321 PolarHBondContact OE1-OH 3.02Å; E284-Q341 PolarHBondContact OE2-NE2 2.85Å
285H96.5Very high97.7Very high55 Ų5542.1 Ų42.126%0.25520%0.2SC..G310 helixtrans-114.323.9179.8-63.6-46.5000112.8L281 G282 N283 E287 K288 A289 R320L281-H285 HydrophobicContact CB-CB 3.91Å; L281-H285 HydrophobicContact CD1-CB 4.07Å; L281-H285 HydrophobicContact CG-CB 4.49Å; G282-H285 PolarHBondContact O-N 3.34Å; N283-H285 PolarHBondContact O-N 2.76Å; H285-E287 PolarHBondContact O-N 2.97Å; H285-K288 PolarHBondContact O-N 2.86Å; H285-K288 VanDerWaalsContact O-N 3.16Å; H285-A289 PolarHBondContact O-N 2.89Å; H285-R320 PolarHBondContact CD2-NH1 2.93Å; H285-R320 VanDerWaalsContact CD2-NH1 3.26Å; H285-R320 PolarHBondContact NE2-NH1 2.94Å
286R97.8Very high97.7Very high115 Ų11542.1 Ų42.143%0.43420%0.2SC..Hα-helixtrans-53.1-46.9-175.6-177.1174.1-178.4142.70.3114.4N283 A289 V290 T296 E298 M299N283-R286 WeakPolarHBondContact O-CB 3.34Å; N283-R286 PolarHBondContact O-N 2.61Å; R286-A289 WeakPolarHBondContact O-CB 3.5Å; R286-A289 PolarHBondContact O-N 3.42Å; R286-V290 WeakPolarHBondContact O-CG2 3.37Å; R286-V290 PolarHBondContact O-N 3.32Å; R286-T296 HydrophobicContact CB-CG2 3.94Å; R286-T296 HydrophobicContact CG-CG2 4.19Å; R286-E298 IonicContact NH1-OE2 3.55Å; R286-E298 PolarHBondContact NH1-OE2 2.93Å; R286-M299 HydrophobicContact CG-SD 4.28Å
287E97.8Very high97.7Very high157 Ų15742.1 Ų42.173%0.73420%0.2SC*.Hα-helixtrans-58.7-50.4178.5-174.1176.8-165.900110.7H285 A289 V290 D291H285-E287 PolarHBondContact O-N 2.97Å; E287-A289 VanDerWaalsContact C-N 3.31Å; E287-A289 PolarHBondContact O-N 3.08Å; E287-V290 PolarHBondContact O-N 2.87Å; E287-D291 WeakPolarHBondContact O-CB 3.47Å; E287-D291 VanDerWaalsContact O-CG 3.29Å; E287-D291 PolarHBondContact O-N 3.19Å
288K97.4Very high97.7Very high111 Ų11146.1 Ų46.148%0.48322%0.219SC..Hα-helixtrans-59.3-40.3176-175.2177.3-179.4177.80112.6L281 H285 H292L281-K288 HydrophobicContact CD1-CB 4.29Å; L281-K288 HydrophobicContact CD1-CD 4.15Å; L281-K288 HydrophobicContact CD1-CG 4.02Å; H285-K288 PolarHBondContact O-N 2.86Å; H285-K288 VanDerWaalsContact O-N 3.16Å; K288-H292 PolarHBondContact O-N 3.29Å; K288-H292 PolarHBondContact O-ND1 3.32Å
289A97.3Very high97.7Very high0 Ų047.3 Ų47.30%023%0.225CC..Hα-helixtrans-60.1-52.9176.500000110L281 H285 R286 E287 D291 H292 G293 H294 T296L281-A289 HydrophobicContact CB-CB 4.28Å; L281-A289 HydrophobicContact CD1-CB 4.18Å; H285-A289 PolarHBondContact O-N 2.89Å; R286-A289 WeakPolarHBondContact O-CB 3.5Å; R286-A289 PolarHBondContact O-N 3.42Å; E287-A289 VanDerWaalsContact C-N 3.31Å; E287-A289 PolarHBondContact O-N 3.08Å; A289-D291 PolarHBondContact O-N 2.96Å; A289-H292 CarbonylContact O-C 3.41Å; A289-H292 PolarHBondContact O-N 3.1Å; A289-H292 VanDerWaalsContact O-N 3.14Å; A289-G293 PolarHBondContact O-N 2.86Å; A289-H294 CarbonylContact C-O 3.57Å; A289-H294 VanDerWaalsContact C-O 3.28Å; A289-H294 HydrophobicContact CB-CB 4.37Å; A289-H294 WeakPolarHBondContact O-CA 3.18Å; A289-H294 WeakPolarHBondContact O-CB 3.08Å; A289-H294 PolarHBondContact O-N 2.79Å; A289-T296 HydrophobicContact CB-CG2 3.93Å
290V97.9Very high97.7Very high61 Ų6147.3 Ų47.337%0.3723%0.225SC..Hα-helixtrans-60.8-44.2-179.1173.10000112R286 E287 H292 G293 M299R286-V290 WeakPolarHBondContact O-CG2 3.37Å; R286-V290 PolarHBondContact O-N 3.32Å; E287-V290 PolarHBondContact O-N 2.87Å; V290-H292 PolarHBondContact O-N 3.3Å; V290-G293 WeakPolarHBondContact O-CA 3.26Å; V290-G293 PolarHBondContact O-N 3.07Å; V290-M299 HydrophobicContact CG2-CE 3.98Å; V290-M299 HydrophobicContact CG2-SD 4.2Å
291D96.9Very high97.8Very high112 Ų11247 Ų4760%0.59922%0.223SC*.Hα-helixtrans-59.4-32.9178.3-73.1-11.4000112.6E287 A289 G293E287-D291 WeakPolarHBondContact O-CB 3.47Å; E287-D291 VanDerWaalsContact O-CG 3.29Å; E287-D291 PolarHBondContact O-N 3.19Å; A289-D291 PolarHBondContact O-N 2.96Å; D291-G293 VanDerWaalsContact C-N 3.31Å
292H96.9Very high97.8Very high77 Ų7748.8 Ų48.836%0.35624%0.24SC..THydrogen-bonded Turntrans-91.97.9177.3-65.274.2000112.7R186 K288 A289 V290 H294R186-H292 WeakPolarHBondContact CD-O 3.46Å; R186-H292 WeakPolarHBondContact CG-O 3.16Å; R186-H292 PolarHBondContact NE-O 2.76Å; K288-H292 PolarHBondContact O-N 3.29Å; K288-H292 PolarHBondContact O-ND1 3.32Å; A289-H292 CarbonylContact O-C 3.41Å; A289-H292 PolarHBondContact O-N 3.1Å; A289-H292 VanDerWaalsContact O-N 3.14Å; V290-H292 PolarHBondContact O-N 3.3Å; H292-H294 PolarHBondContact O-CD2 3.38Å
293G97.9Very high97.9Very high2 Ų249.6 Ų49.62%0.02125%0.245CC..THydrogen-bonded Turntrans74.624.3-18000000114.2H185 C257 S258 A289 V290 D291H185-G293 PolarHBondContact ND1-O 2.78Å; C257-G293 CarbonylContact C-O 3.59Å; C257-G293 VanDerWaalsContact CA-O 3.23Å; C257-G293 WeakPolarHBondContact CA-O 3.32Å; C257-G293 PolarHBondContact N-O 2.72Å; S258-G293 PolarHBondContact N-O 3.19Å; A289-G293 PolarHBondContact O-N 2.86Å; V290-G293 WeakPolarHBondContact O-CA 3.26Å; V290-G293 PolarHBondContact O-N 3.07Å; D291-G293 VanDerWaalsContact C-N 3.31Å
294H98.6Very high98Very high18 Ų1847.5 Ų47.58%0.08323%0.234CC..  trans-115.7170.8-175.9-68.9-58000113.2H185 D256 C257 S258 E278 T280 A289 H292 H316H185-H294 AromaticContact CE1-CE1 3.62Å; D256-H294 IonicContact OD2-CE1 3.09Å; D256-H294 PolarHBondContact OD2-CE1 3.17Å; D256-H294 VanDerWaalsContact OD2-CE1 3.26Å; D256-H294 IonicContact OD2-ND1 3.79Å; C257-H294 CarbonylContact O-C 3.55Å; C257-H294 WeakPolarHBondContact O-CA 3.23Å; S258-H294 WeakPolarHBondContact CA-O 3.36Å; S258-H294 WeakPolarHBondContact CB-O 3.4Å; E278-H294 WeakPolarHBondContact OE1-CA 3.5Å; E278-H294 IonicContact OE1-CE1 2.74Å; E278-H294 IonicContact OE1-CG 2.76Å; E278-H294 IonicContact OE1-ND1 3.83Å; E278-H294 PolarHBondContact OE1-ND1 3.22Å; E278-H294 WeakPolarHBondContact OE2-CB 3.43Å; E278-H294 IonicContact OE2-CG 3.64Å; E278-H294 IonicContact OE2-ND1 2.9Å; E278-H294 PolarHBondContact OE2-ND1 3.41Å; T280-H294 HydrophobicContact CG2-CB 4.43Å; T280-H294 PolarHBondContact OG1-ND1 2.91Å; A289-H294 CarbonylContact C-O 3.57Å; A289-H294 VanDerWaalsContact C-O 3.28Å; A289-H294 HydrophobicContact CB-CB 4.37Å; A289-H294 WeakPolarHBondContact O-CA 3.18Å; A289-H294 WeakPolarHBondContact O-CB 3.08Å; A289-H294 PolarHBondContact O-N 2.79Å; H292-H294 PolarHBondContact O-CD2 3.38Å; H294-H316 AromaticContact CE1-CE1 3.72Å
295S98.8Very high98.1Very high3 Ų347.4 Ų47.42%0.02123%0.229CC..  trans-115.6156-177.7-72.40000113.2C257 H277 E278 A279 T280C257-S295 WeakPolarHBondContact O-CB 3.34Å; C257-S295 PolarHBondContact O-N 3.27Å; C257-S295 VanDerWaalsContact O-N 3.15Å; C257-S295 PolarHBondContact O-OG 2.99Å; H277-S295 PolarHBondContact CE1-OG 3.19Å; E278-S295 PolarHBondContact OE2-N 3.2Å; A279-S295 CarbonylContact C-O 3.53Å; A279-S295 WeakPolarHBondContact CA-O 3.32Å; T280-S295 PolarHBondContact N-O 3.22Å
296T98.7Very high98.1Very high0 Ų049 Ų490%024%0.242CC..  trans-100167.7168.475.50000111.6L281 N283 R286 A289 E298 M299 A300L281-T296 VanDerWaalsContact O-CA 3.26Å; L281-T296 WeakPolarHBondContact O-CA 3.37Å; L281-T296 WeakPolarHBondContact O-CB 3.49Å; N283-T296 VanDerWaalsContact OD1-CB 3.25Å; N283-T296 WeakPolarHBondContact OD1-CB 3.25Å; N283-T296 PolarHBondContact OD1-OG1 3.36Å; R286-T296 HydrophobicContact CB-CG2 3.94Å; R286-T296 HydrophobicContact CG-CG2 4.19Å; A289-T296 HydrophobicContact CB-CG2 3.93Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 3.14Å; T296-M299 HydrophobicContact CG2-SD 4.09Å; T296-M299 PolarHBondContact N-SD 3Å; T296-M299 WeakPolarHBondContact O-CB 3.45Å; T296-M299 PolarHBondContact O-N 3.11Å; T296-M299 VanDerWaalsContact O-N 3.1Å; T296-A300 PolarHBondContact O-N 2.88Å
297P98.6Very high98.1Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-54-39.7175-2935.5000114.2A279 L281 A300 A301 L314 L338 Q341 A342A279-P297 HydrophobicContact CB-CG 4.14Å; L281-P297 WeakPolarHBondContact O-CD 3.5Å; P297-A300 PolarHBondContact O-N 3.15Å; P297-A301 WeakPolarHBondContact O-CB 3.45Å; P297-A301 PolarHBondContact O-N 3.38Å; P297-L314 HydrophobicContact CB-CD1 4.27Å; P297-L338 VanDerWaalsContact CB-O 3.26Å; P297-L338 WeakPolarHBondContact CB-O 3.25Å; P297-L338 HydrophobicContact CG-CB 3.77Å; P297-L338 HydrophobicContact CG-CD2 3.79Å; P297-L338 HydrophobicContact CG-CG 4.33Å; P297-L338 WeakPolarHBondContact CG-O 3.26Å; P297-Q341 HydrophobicContact CB-CB 3.86Å; P297-Q341 HydrophobicContact CG-CB 4.19Å; P297-A342 HydrophobicContact CB-CB 3.89Å
298E98.5Very high98.1Very high86 Ų8639.5 Ų39.540%0.40221%0.211SC..Hα-helixtrans-64.8-38.8177.2-176.3-176.7-15300112.2N283 R286 T296 A301 A302 A345N283-E298 VanDerWaalsContact OD1-CB 3.25Å; N283-E298 WeakPolarHBondContact OD1-CB 3.39Å; N283-E298 PolarHBondContact OD1-N 3.39Å; N283-E298 VanDerWaalsContact OD1-N 3.07Å; R286-E298 IonicContact NH1-OE2 3.55Å; R286-E298 PolarHBondContact NH1-OE2 2.93Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 3.14Å; E298-A301 PolarHBondContact O-N 2.95Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 2.8Å; E298-A345 HydrophobicContact CG-CB 4.22Å
299M98.7Very high98.1Very high25 Ų2534.4 Ų34.412%0.12319%0.19CC..Hα-helixtrans-66.3-46.3177.4-64.8165.660.400111S258 R286 V290 T296 A301 A302 V303S258-M299 WeakPolarHBondContact O-CE 3.34Å; R286-M299 HydrophobicContact CG-SD 4.28Å; V290-M299 HydrophobicContact CG2-CE 3.98Å; V290-M299 HydrophobicContact CG2-SD 4.2Å; T296-M299 HydrophobicContact CG2-SD 4.09Å; T296-M299 PolarHBondContact N-SD 3Å; T296-M299 WeakPolarHBondContact O-CB 3.45Å; T296-M299 PolarHBondContact O-N 3.11Å; T296-M299 VanDerWaalsContact O-N 3.1Å; M299-A301 VanDerWaalsContact C-N 3.35Å; M299-A301 PolarHBondContact O-N 3.13Å; M299-A302 WeakPolarHBondContact O-CB 3.35Å; M299-A302 PolarHBondContact O-N 2.63Å; M299-V303 PolarHBondContact O-N 2.96Å; M299-V303 VanDerWaalsContact O-N 3.17Å
300A98.8Very high98.2Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-60.7-43.3174.600000112.1H277 T296 P297 A302 V303 A304 L312 L314H277-A300 HydrophobicContact CB-CB 3.93Å; T296-A300 PolarHBondContact O-N 2.88Å; P297-A300 PolarHBondContact O-N 3.15Å; A300-A302 PolarHBondContact O-N 2.7Å; A300-V303 PolarHBondContact O-N 2.89Å; A300-A304 PolarHBondContact O-N 2.88Å; A300-L312 HydrophobicContact CB-CD1 4.49Å; A300-L312 HydrophobicContact CB-CD2 4.39Å; A300-L314 HydrophobicContact CB-CD2 3.74Å
301A98.8Very high98.2Very high1 Ų139.4 Ų39.41%0.00820%0.202CC..Hα-helixtrans-59.8-42.5174.700000112.5P297 E298 M299 V303 A304 R305 L312 A342 A345 L346P297-A301 WeakPolarHBondContact O-CB 3.45Å; P297-A301 PolarHBondContact O-N 3.38Å; E298-A301 PolarHBondContact O-N 2.95Å; M299-A301 VanDerWaalsContact C-N 3.35Å; M299-A301 PolarHBondContact O-N 3.13Å; A301-V303 VanDerWaalsContact C-N 3.35Å; A301-V303 PolarHBondContact O-N 3.36Å; A301-A304 PolarHBondContact O-N 3.44Å; A301-R305 WeakPolarHBondContact O-CB 3.36Å; A301-R305 PolarHBondContact O-N 3.47Å; A301-L312 HydrophobicContact CB-CD2 4.42Å; A301-A342 HydrophobicContact CB-CB 4.48Å; A301-A345 HydrophobicContact CB-CB 3.58Å; A301-L346 HydrophobicContact CB-CD1 3.94Å; A301-L346 HydrophobicContact CB-CD2 4.32Å; A301-L346 HydrophobicContact CB-CG 3.74Å; A301-L346 WeakPolarHBondContact O-CD2 3.48Å
302A98.4Very high98.3Very high51 Ų5134.1 Ų34.142%0.42117%0.174SC..Hα-helixtrans-61.4-42.8176.900000111.8E298 M299 A300 R305 T306E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 2.8Å; M299-A302 WeakPolarHBondContact O-CB 3.35Å; M299-A302 PolarHBondContact O-N 2.63Å; A300-A302 PolarHBondContact O-N 2.7Å; A302-R305 PolarHBondContact O-N 3.44Å; A302-T306 WeakPolarHBondContact O-CB 3.22Å; A302-T306 PolarHBondContact O-N 3.33Å; A302-T306 PolarHBondContact O-OG1 3.05Å
303V98.5Very high98.4Very high17 Ų1730.4 Ų30.410%0.10316%0.157CC..Hα-helixtrans-61.4-47.8174.4175.50000110.8F254 V260 F266 L275 M299 A300 A301 R305 T306 C307F254-V303 HydrophobicContact CE1-CG1 3.86Å; F254-V303 HydrophobicContact CZ-CG1 3.67Å; V260-V303 HydrophobicContact CG2-CG2 4.02Å; F266-V303 HydrophobicContact CE1-CG1 4.45Å; L275-V303 HydrophobicContact CD1-CG1 4.26Å; M299-V303 PolarHBondContact O-N 2.96Å; M299-V303 VanDerWaalsContact O-N 3.17Å; A300-V303 PolarHBondContact O-N 2.89Å; A301-V303 VanDerWaalsContact C-N 3.35Å; A301-V303 PolarHBondContact O-N 3.36Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.27Å; V303-T306 PolarHBondContact O-N 2.63Å; V303-C307 WeakPolarHBondContact O-CB 3.38Å; V303-C307 PolarHBondContact O-N 2.72Å; V303-C307 PolarHBondContact O-SG 3.15Å
304A98.6Very high98.4Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-61-41.4179.600000112.8A300 A301 C307 S308 A309 L312 V351A300-A304 PolarHBondContact O-N 2.88Å; A301-A304 PolarHBondContact O-N 3.44Å; A304-C307 PolarHBondContact O-N 2.83Å; A304-S308 PolarHBondContact O-N 3.39Å; A304-S308 VanDerWaalsContact O-N 3.15Å; A304-A309 HydrophobicContact CB-CB 4.23Å; A304-A309 PolarHBondContact O-N 3.15Å; A304-L312 HydrophobicContact CB-CB 4Å; A304-L312 HydrophobicContact CB-CD1 4.17Å; A304-L312 HydrophobicContact CB-CD2 3.95Å; A304-L312 HydrophobicContact CB-CG 4.27Å; A304-V351 HydrophobicContact CB-CG1 4.44Å
305R98.2Very high98.3Very high104 Ų10429.6 Ų29.639%0.39215%0.152SC..Hα-helixtrans-63.3-49.8175.8-175.7-179.5-71.3-88.18.3111.5A301 A302 V303 C307 S308 A345 L346 Q347A301-R305 WeakPolarHBondContact O-CB 3.36Å; A301-R305 PolarHBondContact O-N 3.47Å; A302-R305 PolarHBondContact O-N 3.44Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.27Å; R305-C307 PolarHBondContact O-N 3.16Å; R305-S308 PolarHBondContact O-N 2.97Å; R305-A345 PolarHBondContact NE-O 3.17Å; R305-A345 PolarHBondContact NH2-O 3.42Å; R305-L346 HydrophobicContact CB-CD2 3.92Å; R305-L346 VanDerWaalsContact NH2-C 3.3Å; R305-L346 VanDerWaalsContact NH2-CA 3.28Å; R305-Q347 PolarHBondContact NH2-O 3.22Å
306T97.7Very high98.3Very high88 Ų8829.5 Ų29.554%0.5415%0.151SC..Hα-helixtrans-59.1-38.6178.5-61.30000111.5F266 A302 V303 S308F266-T306 HydrophobicContact CD1-CG2 3.52Å; F266-T306 HydrophobicContact CE1-CG2 3.88Å; F266-T306 HydrophobicContact CG-CG2 4.06Å; A302-T306 WeakPolarHBondContact O-CB 3.22Å; A302-T306 PolarHBondContact O-N 3.33Å; A302-T306 PolarHBondContact O-OG1 3.05Å; V303-T306 PolarHBondContact O-N 2.63Å; T306-S308 VanDerWaalsContact C-N 3.26Å; T306-S308 PolarHBondContact O-N 2.88Å
307C97.6Very high98.3Very high1 Ų129.5 Ų29.51%0.00715%0.151CC..THydrogen-bonded Turntrans-79.8-0.7177.1-610000113.8C269 D270 R271 L275 V303 A304 R305 A309C269-C307 HydrophobicContact CB-CB 4.05Å; C269-C307 WeakPolarHBondContact CB-SG 3.29Å; D270-C307 CarbonylContact C-O 3.55Å; D270-C307 WeakPolarHBondContact CA-O 3.4Å; R271-C307 PolarHBondContact N-O 2.65Å; L275-C307 HydrophobicContact CD1-CB 4.19Å; V303-C307 WeakPolarHBondContact O-CB 3.38Å; V303-C307 PolarHBondContact O-N 2.72Å; V303-C307 PolarHBondContact O-SG 3.15Å; A304-C307 PolarHBondContact O-N 2.83Å; R305-C307 PolarHBondContact O-N 3.16Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 VanDerWaalsContact O-N 3.12Å
308S97.6Very high98.1Very high73 Ų7330.7 Ų30.751%0.5116%0.16SC..THydrogen-bonded Turntrans47.540.4-171.5-58.10000112.7A304 R305 T306A304-S308 PolarHBondContact O-N 3.39Å; A304-S308 VanDerWaalsContact O-N 3.15Å; R305-S308 PolarHBondContact O-N 2.97Å; T306-S308 VanDerWaalsContact C-N 3.26Å; T306-S308 PolarHBondContact O-N 2.88Å
309A98.1Very high97.9Very high4 Ų428.4 Ų28.43%0.03315%0.149CC..  trans-65.6145.6-177.600000110.3A272 L275 A304 C307 V351A272-A309 HydrophobicContact CB-CB 4.47Å; A272-A309 CarbonylContact O-C 3.47Å; A272-A309 WeakPolarHBondContact O-CA 3.43Å; L275-A309 HydrophobicContact CB-CB 3.95Å; L275-A309 HydrophobicContact CD1-CB 4.23Å; A304-A309 HydrophobicContact CB-CB 4.23Å; A304-A309 PolarHBondContact O-N 3.15Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 VanDerWaalsContact O-N 3.12Å; A309-V351 WeakPolarHBondContact O-CG2 3.38Å
310R97.9Very high97.6Very high138 Ų13831.4 Ų31.452%0.52116%0.159SC..SBendtrans-77.7-39.9177-174.4179.8175.5174.21.1112.2A272 E352A272-R310 PolarHBondContact O-N 3.26Å; R310-E352 PolarHBondContact O-N 3.22Å; R310-E352 VanDerWaalsContact O-N 3.1Å
311R98.6Very high97.2Very high28 Ų2831.6 Ų31.611%0.10616%0.16CC..EExtended strand (participates in β ladder)trans-135.7130.2-179.5-69-178.4-68.71790.7110D273 L275 E352 Q363D273-R311 PolarHBondContact O-NE 3.03Å; L275-R311 PolarHBondContact N-O 2.96Å; R311-E352 CarbonylContact C-O 3.52Å; R311-E352 VanDerWaalsContact CA-O 3.27Å; R311-E352 WeakPolarHBondContact CA-O 3.33Å; R311-E352 WeakPolarHBondContact CD-OE2 3.49Å; R311-E352 HydrophobicContact CG-CB 4.09Å; R311-E352 HydrophobicContact CG-CG 4.42Å; R311-E352 WeakPolarHBondContact CG-OE2 3.42Å; R311-Q363 PolarHBondContact NH1-O 2.81Å; R311-Q363 PolarHBondContact NH2-O 2.89Å
312L98.9Very high96.4Very high0 Ų035.7 Ų35.70%018%0.178CC..EExtended strand (participates in β ladder)trans-102.3122.9168.9171.859.3000108.5L275 H277 A300 A301 A304 L314 L346 V351 E352 V353 I354L275-L312 HydrophobicContact CD2-CD1 3.71Å; L275-L312 CarbonylContact O-C 3.54Å; L275-L312 WeakPolarHBondContact O-CA 3.38Å; H277-L312 HydrophobicContact CB-CD1 3.93Å; A300-L312 HydrophobicContact CB-CD1 4.49Å; A300-L312 HydrophobicContact CB-CD2 4.39Å; A301-L312 HydrophobicContact CB-CD2 4.42Å; A304-L312 HydrophobicContact CB-CB 4Å; A304-L312 HydrophobicContact CB-CD1 4.17Å; A304-L312 HydrophobicContact CB-CD2 3.95Å; A304-L312 HydrophobicContact CB-CG 4.27Å; L312-L314 HydrophobicContact CD1-CD2 4.01Å; L312-L314 HydrophobicContact CD2-CD2 3.8Å; L312-L314 HydrophobicContact CG-CD2 3.8Å; L312-L346 HydrophobicContact CB-CD1 4.41Å; L312-L346 HydrophobicContact CD2-CD1 3.73Å; L312-V351 HydrophobicContact CB-CG1 3.97Å; L312-E352 PolarHBondContact N-O 3.16Å; L312-V353 CarbonylContact O-C 3.54Å; L312-V353 WeakPolarHBondContact O-CA 3.29Å; L312-I354 PolarHBondContact O-N 3.05Å
313V98.9Very high95.6Very high0 Ų033.8 Ų33.80%016%0.161CC..EExtended strand (participates in β ladder)trans-108.1113.9172.3-166.70000108.5F7 V274 L275 V276 H277 I354 A356 I362F7-V313 HydrophobicContact CE1-CG1 4.12Å; F7-V313 HydrophobicContact CE2-CG1 3.89Å; F7-V313 HydrophobicContact CZ-CB 4.08Å; F7-V313 HydrophobicContact CZ-CG1 3.37Å; V274-V313 HydrophobicContact CG1-CG2 3.8Å; L275-V313 PolarHBondContact O-N 3.05Å; V276-V313 WeakPolarHBondContact CA-O 3.48Å; V276-V313 HydrophobicContact CG2-CB 4.32Å; H277-V313 PolarHBondContact N-O 3.28Å; V313-I354 CarbonylContact C-O 3.55Å; V313-I354 WeakPolarHBondContact CA-O 3.26Å; V313-I354 HydrophobicContact CG1-CB 4.31Å; V313-I354 HydrophobicContact CG1-CG2 4.29Å; V313-I354 HydrophobicContact CG2-CB 4.29Å; V313-I354 HydrophobicContact CG2-CD1 4.49Å; V313-A356 HydrophobicContact CG1-CB 4.09Å; V313-I362 HydrophobicContact CB-CD1 4.43Å; V313-I362 HydrophobicContact CG1-CD1 4.01Å; V313-I362 HydrophobicContact CG2-CD1 3.52Å
314L98.7Very high94.6Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-79.8134.1173.3-56.9-174.6000109.1H277 A279 P297 A300 L312 F317 A342 V353 I354 L355 A356H277-L314 WeakPolarHBondContact O-CA 3.33Å; A279-L314 HydrophobicContact CB-CB 4.15Å; A279-L314 HydrophobicContact CB-CD1 4.11Å; A279-L314 HydrophobicContact CB-CD2 4.04Å; A279-L314 HydrophobicContact CB-CG 4.32Å; P297-L314 HydrophobicContact CB-CD1 4.27Å; A300-L314 HydrophobicContact CB-CD2 3.74Å; L312-L314 HydrophobicContact CD1-CD2 4.01Å; L312-L314 HydrophobicContact CD2-CD2 3.8Å; L312-L314 HydrophobicContact CG-CD2 3.8Å; L314-F317 HydrophobicContact CB-CE1 3.91Å; L314-F317 HydrophobicContact CB-CZ 3.92Å; L314-F317 WeakPolarHBondContact O-CZ 2.97Å; L314-A342 HydrophobicContact CD1-CB 3.85Å; L314-V353 HydrophobicContact CD1-CG1 4.17Å; L314-V353 HydrophobicContact CG-CG1 4.16Å; L314-I354 PolarHBondContact N-O 3.48Å; L314-L355 HydrophobicContact CB-CD2 4.15Å; L314-L355 HydrophobicContact CD1-CD2 4.1Å; L314-A356 WeakPolarHBondContact O-CB 3.45Å; L314-A356 PolarHBondContact O-N 2.85Å
315Y96.4Very high93.5Very high2 Ų240.3 Ų40.31%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-142.2-173.3174.990-62.9000110.8F254 V276 H277 E278 A279F254-Y315 PolarHBondContact O-OH 3.09Å; V276-Y315 HydrophobicContact CG1-CD1 3.44Å; V276-Y315 VanDerWaalsContact CG1-CD1 3.44Å; V276-Y315 HydrophobicContact CG1-CE1 3.85Å; V276-Y315 HydrophobicContact CG1-CG 3.91Å; H277-Y315 VanDerWaalsContact C-CD1 3.44Å; H277-Y315 WeakPolarHBondContact O-CD1 3.49Å; H277-Y315 PolarHBondContact O-N 3.43Å; H277-Y315 VanDerWaalsContact O-N 3.08Å; E278-Y315 WeakPolarHBondContact CA-O 3.32Å; E278-Y315 HydrophobicContact CB-CE1 4.11Å; A279-Y315 PolarHBondContact N-O 3.32Å
316H98.3Very high92.4Very high1 Ų138.9 Ų38.91%0.00521%0.207CC..  trans60.951.3175.8-162.8-113.6000113.5T10 S12 S22 D66 H67 D256 E278 T280 H294T10-H316 CarbonylContact O-C 3.59Å; T10-H316 VanDerWaalsContact O-CA 3.3Å; T10-H316 WeakPolarHBondContact O-CA 3.49Å; T10-H316 PolarHBondContact O-N 2.88Å; T10-H316 VanDerWaalsContact O-N 3.13Å; S12-H316 VanDerWaalsContact CA-CD2 3.47Å; S12-H316 WeakPolarHBondContact CA-CD2 3.41Å; S12-H316 WeakPolarHBondContact CA-NE2 3.37Å; S12-H316 WeakPolarHBondContact CB-CE1 3.27Å; S12-H316 WeakPolarHBondContact CB-ND1 3.06Å; S12-H316 VanDerWaalsContact CB-NE2 3.26Å; S12-H316 WeakPolarHBondContact CB-NE2 3.31Å; S22-H316 PolarHBondContact OG-CD2 3.23Å; D66-H316 IonicContact OD2-NE2 3.32Å; D66-H316 PolarHBondContact OD2-NE2 2.85Å; H67-H316 AromaticContact CE1-NE2 3.96Å; H67-H316 AromaticContact NE2-CD2 3.97Å; H67-H316 AromaticContact NE2-NE2 3.4Å; H67-H316 PolarHBondContact NE2-NE2 3.22Å; D256-H316 IonicContact OD1-CD2 3.83Å; D256-H316 IonicContact OD1-CE1 3.12Å; D256-H316 PolarHBondContact OD1-CE1 3.26Å; D256-H316 VanDerWaalsContact OD1-CE1 3.28Å; D256-H316 IonicContact OD1-CG 3.51Å; D256-H316 IonicContact OD1-ND1 2.65Å; D256-H316 PolarHBondContact OD1-ND1 2.78Å; D256-H316 IonicContact OD1-NE2 3.15Å; D256-H316 IonicContact OD2-CE1 3.85Å; D256-H316 PolarHBondContact OD2-CE1 3.27Å; D256-H316 IonicContact OD2-ND1 3.22Å; D256-H316 IonicContact OD2-NE2 3.53Å; E278-H316 HydrophobicContact CB-CB 3.75Å; T280-H316 VanDerWaalsContact CA-O 3.27Å; T280-H316 WeakPolarHBondContact CA-O 3.41Å; T280-H316 PolarHBondContact OG1-ND1 2.7Å; T280-H316 PolarHBondContact OG1-O 3.14Å; H294-H316 AromaticContact CE1-CE1 3.72Å
317F97.8Very high91.1Very high0 Ų037.3 Ų37.30%019%0.193CC..BIsolated β-bridgetrans-79.5139.6-175-54.3-67.3000111.9T10 S12 L314 Q319 V335 L338 L355 A356T10-F317 PolarHBondContact O-N 2.83Å; S12-F317 PolarHBondContact N-O 3.02Å; S12-F317 PolarHBondContact OG-O 2.87Å; L314-F317 HydrophobicContact CB-CE1 3.91Å; L314-F317 HydrophobicContact CB-CZ 3.92Å; L314-F317 WeakPolarHBondContact O-CZ 2.97Å; F317-Q319 PolarHBondContact O-N 2.9Å; F317-V335 HydrophobicContact CD1-CG2 3.95Å; F317-V335 HydrophobicContact CD2-CG2 4.19Å; F317-V335 HydrophobicContact CE1-CG2 3.99Å; F317-V335 HydrophobicContact CE2-CG2 4.25Å; F317-V335 HydrophobicContact CG-CG2 4.02Å; F317-V335 HydrophobicContact CZ-CG2 4.12Å; F317-L338 HydrophobicContact CD1-CD1 3.48Å; F317-L338 VanDerWaalsContact CD1-CD1 3.48Å; F317-L338 HydrophobicContact CE1-CD1 3.87Å; F317-L355 HydrophobicContact CE1-CD2 4.06Å; F317-L355 HydrophobicContact CZ-CB 4.43Å; F317-L355 HydrophobicContact CZ-CD2 3.83Å; F317-A356 HydrophobicContact CE2-CB 4.38Å; F317-A356 VanDerWaalsContact CE2-O 3.27Å; F317-A356 WeakPolarHBondContact CE2-O 3.37Å
318S96.4Very high89.8Confident25 Ų2545 Ų4518%0.17523%0.227CC..  trans-52.6135.2165.61770000110.5S12 T280 R320 Y321S12-S318 VanDerWaalsContact OG-CA 3.27Å; S12-S318 WeakPolarHBondContact OG-CA 3.3Å; S12-S318 PolarHBondContact OG-N 2.69Å; T280-S318 WeakPolarHBondContact O-CB 3.44Å; T280-S318 PolarHBondContact O-N 3.37Å; S318-R320 PolarHBondContact O-N 3.29Å; S318-R320 WeakPolarHBondContact OG-CG 3.24Å; S318-Y321 PolarHBondContact O-N 2.78Å
319Q92.9Very high88.2Confident38 Ų3851.4 Ų51.418%0.17825%0.248CC..THydrogen-bonded Turntrans-61-9.1-179.8-60.3-64.3-13.500113.4Y14 S16 F317 Y321Y14-Q319 HydrophobicContact CD2-CG 4.26Å; Y14-Q319 HydrophobicContact CE1-CG 4.48Å; Y14-Q319 HydrophobicContact CE2-CB 4.26Å; Y14-Q319 HydrophobicContact CE2-CG 3.72Å; Y14-Q319 PolarHBondContact O-NE2 2.97Å; S16-Q319 PolarHBondContact OG-OE1 3.13Å; F317-Q319 PolarHBondContact O-N 2.9Å; Q319-Y321 VanDerWaalsContact C-N 3.32Å
320R91.7Very high86.5Confident88 Ų8854.7 Ų54.733%0.33228%0.283SS..THydrogen-bonded Turntrans-66-32.6170.376.6-173.7-55.3-166.5-4.1113.3H285 S318 K322 D333H285-R320 PolarHBondContact CD2-NH1 2.93Å; H285-R320 VanDerWaalsContact CD2-NH1 3.26Å; H285-R320 PolarHBondContact NE2-NH1 2.94Å; S318-R320 PolarHBondContact O-N 3.29Å; S318-R320 WeakPolarHBondContact OG-CG 3.24Å; R320-K322 PolarHBondContact O-N 3.26Å; R320-D333 IonicContact CZ-OD1 2.9Å; R320-D333 IonicContact CZ-OD2 3.81Å; R320-D333 IonicContact NE-OD1 3.45Å; R320-D333 IonicContact NE-OD2 3.54Å; R320-D333 PolarHBondContact NE-OD2 2.89Å; R320-D333 VanDerWaalsContact NE-OD2 3.15Å; R320-D333 IonicContact NH2-OD1 3.27Å; R320-D333 PolarHBondContact NH2-OD1 3.36Å; R320-D333 IonicContact NH2-OD2 2.81Å; R320-D333 PolarHBondContact NH2-OD2 3.17Å
321Y90.4Very high85.1Confident5 Ų550.1 Ų50.12%0.0227%0.269CS..SBendtrans-84.6109.3-176.4-60-71.4000110.2L281 G282 E284 S318 Q319 D333 L338L281-Y321 HydrophobicContact CD2-CE2 4.34Å; G282-Y321 PolarHBondContact N-OH 3.14Å; E284-Y321 PolarHBondContact OE1-OH 3.02Å; S318-Y321 PolarHBondContact O-N 2.78Å; Q319-Y321 VanDerWaalsContact C-N 3.32Å; Y321-D333 WeakPolarHBondContact CA-O 3.26Å; Y321-D333 HydrophobicContact CD1-CB 4.3Å; Y321-L338 HydrophobicContact CD2-CD1 3.96Å; Y321-L338 HydrophobicContact CE1-CD2 4.24Å; Y321-L338 HydrophobicContact CE2-CD1 4.14Å; Y321-L338 HydrophobicContact CE2-CD2 4.33Å; Y321-L338 HydrophobicContact CG-CD1 4.22Å
322K83.3Confident83.4Confident87 Ų8758 Ų5838%0.37831%0.307SS..BIsolated β-bridgetrans-65.4135.9-179.5-67.1177.8-172.8166.70110.6R320 Q327 D331 D333 V335R320-K322 PolarHBondContact O-N 3.26Å; K322-Q327 HydrophobicContact CB-CG 4.45Å; K322-Q327 PolarHBondContact O-NE2 3.41Å; K322-D331 WeakPolarHBondContact CD-OD2 3.47Å; K322-D331 IonicContact NZ-OD1 2.89Å; K322-D331 PolarHBondContact NZ-OD1 3.2Å; K322-D331 IonicContact NZ-OD2 3.58Å; K322-D331 PolarHBondContact NZ-OD2 3.16Å; K322-D333 PolarHBondContact N-O 3.06Å; K322-V335 WeakPolarHBondContact O-CG1 3.23Å
323P81Confident82.1Confident11 Ų1160.6 Ų60.67%0.07132%0.321CS..  trans-58.1154170.4-20.430.8000112.4H18 R19 S325 L326H18-P323 HydrophobicContact CB-CG 3.86Å; R19-P323 HydrophobicContact CG-CG 4.14Å; P323-S325 PolarHBondContact O-N 2.87Å; P323-S325 VanDerWaalsContact O-N 3.12Å; P323-L326 HydrophobicContact CG-CD1 4.42Å; P323-L326 PolarHBondContact O-N 3.23Å
324S77.7Confident81.2Confident54 Ų5462.9 Ų62.938%0.37833%0.332SS..G310 helixtrans-56-34.5-175.5-38.10000112.7L326 E357S324-L326 PolarHBondContact O-N 2.91Å; S324-E357 VanDerWaalsContact CB-OE1 3.26Å; S324-E357 WeakPolarHBondContact CB-OE1 3.43Å; S324-E357 PolarHBondContact N-OE1 3.47Å; S324-E357 PolarHBondContact OG-OE1 3Å
325S75.4Confident80.7Confident99 Ų9963 Ų6369%0.69233%0.332SS*.G310 helixtrans-69.2-14.4-179.955.70000115.2P323P323-S325 PolarHBondContact O-N 2.87Å; P323-S325 VanDerWaalsContact O-N 3.12Å
326L75.8Confident80.4Confident74 Ų7464.2 Ų64.239%0.38734%0.341SS..G310 helixtrans-117.55.3-174.8-63170.9000113.2H18 P323 S324H18-L326 HydrophobicContact CB-CD1 3.87Å; H18-L326 WeakPolarHBondContact CE1-CD1 3.3Å; H18-L326 WeakPolarHBondContact ND1-CD1 3.27Å; P323-L326 HydrophobicContact CG-CD1 4.42Å; P323-L326 PolarHBondContact O-N 3.23Å; S324-L326 PolarHBondContact O-N 2.91Å
327Q70Confident80.1Confident56 Ų5667.7 Ų67.726%0.26236%0.357SS..  trans-73.2146-178.9-75.2168.12.700111.8K322K322-Q327 HydrophobicContact CB-CG 4.45Å; K322-Q327 PolarHBondContact O-NE2 3.41Å
328K70.2Confident80Confident163 Ų16367.7 Ų67.771%0.70936%0.357SS*.  trans-121.1151.4168.5-65.3-179.6-178.9178.10109.1G330 D331K328-G330 PolarHBondContact O-N 3.33Å; K328-D331 PolarHBondContact N-OD2 3.21Å; K328-D331 PolarHBondContact O-N 3.28Å
329E63.2Low80Confident206 Ų20669.6 Ų69.696%0.96336%0.362SS*.THydrogen-bonded Turntrans-54.2122.4174-75.2-177.4163.300110.6
330G62.8Low80.2Confident74 Ų7472.8 Ų72.876%0.76338%0.376SS*.THydrogen-bonded Turntrans976.8177.800000116.2K328K328-G330 PolarHBondContact O-N 3.33Å
331D69.4Low80.5Confident42 Ų4269.5 Ų69.523%0.22536%0.364CS..  trans-67131169.4-84.5-32.3000110.4K322 K328 E334K322-D331 WeakPolarHBondContact CD-OD2 3.47Å; K322-D331 IonicContact NZ-OD1 2.89Å; K322-D331 PolarHBondContact NZ-OD1 3.2Å; K322-D331 IonicContact NZ-OD2 3.58Å; K322-D331 PolarHBondContact NZ-OD2 3.16Å; K328-D331 PolarHBondContact N-OD2 3.21Å; K328-D331 PolarHBondContact O-N 3.28Å; D331-E334 HydrophobicContact CB-CG 4.34Å
332E61.6Low80.8Confident192 Ų19269.2 Ų69.290%0.89736%0.363SS*.SBendtrans-83.5-26.3-178.7-65-179.7168.100113.1
333D71.6Confident81.5Confident56 Ų5668 Ų6830%0.29936%0.36SS..SBendtrans-102.763.5-176.9-79.7-16.2000111.4R320 Y321 K322R320-D333 IonicContact CZ-OD1 2.9Å; R320-D333 IonicContact CZ-OD2 3.81Å; R320-D333 IonicContact NE-OD1 3.45Å; R320-D333 IonicContact NE-OD2 3.54Å; R320-D333 PolarHBondContact NE-OD2 2.89Å; R320-D333 VanDerWaalsContact NE-OD2 3.15Å; R320-D333 IonicContact NH2-OD1 3.27Å; R320-D333 PolarHBondContact NH2-OD1 3.36Å; R320-D333 IonicContact NH2-OD2 2.81Å; R320-D333 PolarHBondContact NH2-OD2 3.17Å; Y321-D333 WeakPolarHBondContact CA-O 3.26Å; Y321-D333 HydrophobicContact CD1-CB 4.3Å; K322-D333 PolarHBondContact N-O 3.06Å
334E81.2Confident82.3Confident48 Ų4873.6 Ų73.622%0.22439%0.386CS..BIsolated β-bridgetrans-87.9131.4179.2-66.9-175.8-172.400113D331 S336 E337D331-E334 HydrophobicContact CB-CG 4.34Å; E334-S336 PolarHBondContact O-N 2.9Å; E334-S336 VanDerWaalsContact O-N 3.16Å; E334-S336 PolarHBondContact OE2-OG 3.12Å; E334-E337 WeakPolarHBondContact O-CB 3.19Å; E334-E337 PolarHBondContact O-N 2.97Å; E334-E337 VanDerWaalsContact O-N 3.1Å
335V88.3Confident83.3Confident1 Ų172.4 Ų72.41%0.00638%0.379CS..Hα-helixtrans-61.8-23.5170.673.80000112.2F317 K322 E337 L338 L355F317-V335 HydrophobicContact CD1-CG2 3.95Å; F317-V335 HydrophobicContact CD2-CG2 4.19Å; F317-V335 HydrophobicContact CE1-CG2 3.99Å; F317-V335 HydrophobicContact CE2-CG2 4.25Å; F317-V335 HydrophobicContact CG-CG2 4.02Å; F317-V335 HydrophobicContact CZ-CG2 4.12Å; K322-V335 WeakPolarHBondContact O-CG1 3.23Å; V335-E337 PolarHBondContact O-N 3.16Å; V335-L338 HydrophobicContact CG2-CD1 4.21Å; V335-L338 WeakPolarHBondContact O-CB 3.45Å; V335-L338 PolarHBondContact O-N 2.94Å; V335-L355 HydrophobicContact CG1-CD1 4.08Å; V335-L355 HydrophobicContact CG2-CD1 4.13Å; V335-L355 HydrophobicContact CG2-CD2 4.37Å; V335-L355 WeakPolarHBondContact O-CD1 3.36Å
336S90Very high84.3Confident28 Ų2868.1 Ų68.120%0.19635%0.348CS..Hα-helixtrans-58.9-33.2176.484.20000111.5E334 L338 K339 K340E334-S336 PolarHBondContact O-N 2.9Å; E334-S336 VanDerWaalsContact O-N 3.16Å; E334-S336 PolarHBondContact OE2-OG 3.12Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.12Å; S336-K339 WeakPolarHBondContact O-CB 3.15Å; S336-K339 PolarHBondContact O-N 3.28Å; S336-K339 VanDerWaalsContact O-N 3.16Å; S336-K340 PolarHBondContact O-N 3.13Å; S336-K340 VanDerWaalsContact O-N 3.12Å
337E92.4Very high85.2Confident74 Ų7470.2 Ų70.235%0.34636%0.356SS..Hα-helixtrans-67-37.4-179.4-168.854-144.800111.4E334 V335 K339 K340 Q341E334-E337 WeakPolarHBondContact O-CB 3.19Å; E334-E337 PolarHBondContact O-N 2.97Å; E334-E337 VanDerWaalsContact O-N 3.1Å; V335-E337 PolarHBondContact O-N 3.16Å; E337-K339 PolarHBondContact O-N 3.16Å; E337-K340 PolarHBondContact O-N 3.34Å; E337-K340 VanDerWaalsContact O-N 3.12Å; E337-K340 WeakPolarHBondContact OE2-CD 3.08Å; E337-K340 IonicContact OE2-NZ 2.72Å; E337-K340 PolarHBondContact OE2-NZ 2.92Å; E337-Q341 WeakPolarHBondContact O-CG 3.27Å; E337-Q341 PolarHBondContact O-N 3.19Å
338L95.6Very high86.3Confident1 Ų175.6 Ų75.61%0.00539%0.387CS..Hα-helixtrans-59.7-37.5174.5-56.5-174.5000111.5P297 F317 Y321 V335 S336 A342P297-L338 VanDerWaalsContact CB-O 3.26Å; P297-L338 WeakPolarHBondContact CB-O 3.25Å; P297-L338 HydrophobicContact CG-CB 3.77Å; P297-L338 HydrophobicContact CG-CD2 3.79Å; P297-L338 HydrophobicContact CG-CG 4.33Å; P297-L338 WeakPolarHBondContact CG-O 3.26Å; F317-L338 HydrophobicContact CD1-CD1 3.48Å; F317-L338 VanDerWaalsContact CD1-CD1 3.48Å; F317-L338 HydrophobicContact CE1-CD1 3.87Å; Y321-L338 HydrophobicContact CD2-CD1 3.96Å; Y321-L338 HydrophobicContact CE1-CD2 4.24Å; Y321-L338 HydrophobicContact CE2-CD1 4.14Å; Y321-L338 HydrophobicContact CE2-CD2 4.33Å; Y321-L338 HydrophobicContact CG-CD1 4.22Å; V335-L338 HydrophobicContact CG2-CD1 4.21Å; V335-L338 WeakPolarHBondContact O-CB 3.45Å; V335-L338 PolarHBondContact O-N 2.94Å; S336-L338 VanDerWaalsContact C-N 3.34Å; S336-L338 PolarHBondContact O-N 3.12Å; L338-A342 PolarHBondContact O-N 2.79Å; L338-A342 VanDerWaalsContact O-N 3.14Å
339K95.9Very high87.4Confident64 Ų6469.6 Ų69.628%0.27837%0.365SS..Hα-helixtrans-66.1-47.5174.7-162.7-168.6179.9-61.70111.4S336 E337 Q341 A342 D343 V353 L355S336-K339 WeakPolarHBondContact O-CB 3.15Å; S336-K339 PolarHBondContact O-N 3.28Å; S336-K339 VanDerWaalsContact O-N 3.16Å; E337-K339 PolarHBondContact O-N 3.16Å; K339-Q341 VanDerWaalsContact C-N 3.27Å; K339-Q341 PolarHBondContact O-N 3.48Å; K339-A342 PolarHBondContact O-N 2.82Å; K339-A342 VanDerWaalsContact O-N 3.17Å; K339-D343 IonicContact NZ-OD1 3.06Å; K339-D343 PolarHBondContact NZ-OD1 3.04Å; K339-D343 IonicContact NZ-OD2 2.8Å; K339-D343 PolarHBondContact NZ-OD2 2.73Å; K339-D343 WeakPolarHBondContact O-CB 3.27Å; K339-D343 PolarHBondContact O-N 2.96Å; K339-V353 WeakPolarHBondContact CE-O 3.48Å; K339-V353 HydrophobicContact CG-CB 4.42Å; K339-V353 HydrophobicContact CG-CG1 4Å; K339-V353 PolarHBondContact NZ-O 2.7Å; K339-L355 HydrophobicContact CB-CD1 3.83Å; K339-L355 HydrophobicContact CB-CD2 3.88Å; K339-L355 HydrophobicContact CB-CG 3.76Å; K339-L355 HydrophobicContact CD-CG 4.32Å; K339-L355 HydrophobicContact CG-CD2 4.44Å; K339-L355 HydrophobicContact CG-CG 4.1Å
340K96.2Very high88.9Confident106 Ų10663.4 Ų63.446%0.46136%0.357SS..Hα-helixtrans-57.8-43179.6-64.7-178-146.9145.20111.1S336 E337 D343 Q344S336-K340 PolarHBondContact O-N 3.13Å; S336-K340 VanDerWaalsContact O-N 3.12Å; E337-K340 PolarHBondContact O-N 3.34Å; E337-K340 VanDerWaalsContact O-N 3.12Å; E337-K340 WeakPolarHBondContact OE2-CD 3.08Å; E337-K340 IonicContact OE2-NZ 2.72Å; E337-K340 PolarHBondContact OE2-NZ 2.92Å; K340-D343 PolarHBondContact O-N 3.42Å; K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.09Å
341Q97.6Very high90.6Very high18 Ų1860.7 Ų60.78%0.08433%0.326CS..Hα-helixtrans-60-46.1176.3-73.2179.83.600112.3N283 E284 P297 E337 K339 A345N283-Q341 WeakPolarHBondContact ND2-CB 3.35Å; E284-Q341 PolarHBondContact OE2-NE2 2.85Å; P297-Q341 HydrophobicContact CB-CB 3.86Å; P297-Q341 HydrophobicContact CG-CB 4.19Å; E337-Q341 WeakPolarHBondContact O-CG 3.27Å; E337-Q341 PolarHBondContact O-N 3.19Å; K339-Q341 VanDerWaalsContact C-N 3.27Å; K339-Q341 PolarHBondContact O-N 3.48Å; Q341-A345 PolarHBondContact O-N 3.05Å; Q341-A345 VanDerWaalsContact O-N 3.11Å
342A98Very high91.9Very high0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-68.5-42.2175.400000113P297 A301 L314 L338 K339 Q344 A345 L346 V353P297-A342 HydrophobicContact CB-CB 3.89Å; A301-A342 HydrophobicContact CB-CB 4.48Å; L314-A342 HydrophobicContact CD1-CB 3.85Å; L338-A342 PolarHBondContact O-N 2.79Å; L338-A342 VanDerWaalsContact O-N 3.14Å; K339-A342 PolarHBondContact O-N 2.82Å; K339-A342 VanDerWaalsContact O-N 3.17Å; A342-Q344 VanDerWaalsContact C-N 3.29Å; A342-Q344 PolarHBondContact O-N 2.78Å; A342-A345 CarbonylContact O-C 3.56Å; A342-A345 PolarHBondContact O-N 2.83Å; A342-L346 WeakPolarHBondContact O-CB 3.34Å; A342-L346 PolarHBondContact O-N 3.48Å; A342-V353 HydrophobicContact CB-CG1 3.85Å; A342-V353 HydrophobicContact CB-CG2 4.16Å
343D97.9Very high93.7Very high60 Ų6055 Ų5532%0.32130%0.298SS..Hα-helixtrans-58.6-42.7176.2-76-36.2000110.6K339 K340 L346 Q347 V353K339-D343 IonicContact NZ-OD1 3.06Å; K339-D343 PolarHBondContact NZ-OD1 3.04Å; K339-D343 IonicContact NZ-OD2 2.8Å; K339-D343 PolarHBondContact NZ-OD2 2.73Å; K339-D343 WeakPolarHBondContact O-CB 3.27Å; K339-D343 PolarHBondContact O-N 2.96Å; K340-D343 PolarHBondContact O-N 3.42Å; D343-L346 CarbonylContact O-C 3.53Å; D343-L346 PolarHBondContact O-N 3.37Å; D343-Q347 PolarHBondContact O-N 2.92Å; D343-V353 VanDerWaalsContact OD1-CB 3.32Å; D343-V353 WeakPolarHBondContact OD1-CB 3.45Å; D343-V353 WeakPolarHBondContact OD1-CG2 3.44Å
344Q97.8Very high95Very high130 Ų13053.6 Ų53.661%0.60729%0.291SS*.Hα-helixtrans-61.9-47175.8-174.8177.28.900111.4K340 A342 L346 Q347K340-Q344 WeakPolarHBondContact O-CB 3.44Å; K340-Q344 PolarHBondContact O-N 3.09Å; A342-Q344 VanDerWaalsContact C-N 3.29Å; A342-Q344 PolarHBondContact O-N 2.78Å; Q344-L346 PolarHBondContact O-N 2.95Å; Q344-Q347 VanDerWaalsContact O-CG 3.3Å; Q344-Q347 WeakPolarHBondContact O-CG 3.41Å; Q344-Q347 PolarHBondContact O-N 2.68Å
345A97.7Very high95.8Very high29 Ų2952.6 Ų52.624%0.2429%0.286CS..Hα-helixtrans-65.7-20.7176.200000113.2E298 A301 R305 Q341 A342E298-A345 HydrophobicContact CG-CB 4.22Å; A301-A345 HydrophobicContact CB-CB 3.58Å; R305-A345 PolarHBondContact NE-O 3.17Å; R305-A345 PolarHBondContact NH2-O 3.42Å; Q341-A345 PolarHBondContact O-N 3.05Å; Q341-A345 VanDerWaalsContact O-N 3.11Å; A342-A345 CarbonylContact O-C 3.56Å; A342-A345 PolarHBondContact O-N 2.83Å
346L97.8Very high96.2Very high8 Ų852.5 Ų52.54%0.04229%0.286CS..THydrogen-bonded Turntrans-104.112.5179-74.2168.2000114.1A301 R305 L312 A342 D343 Q344 D348 S349 V351 V353A301-L346 HydrophobicContact CB-CD1 3.94Å; A301-L346 HydrophobicContact CB-CD2 4.32Å; A301-L346 HydrophobicContact CB-CG 3.74Å; A301-L346 WeakPolarHBondContact O-CD2 3.48Å; R305-L346 HydrophobicContact CB-CD2 3.92Å; R305-L346 VanDerWaalsContact NH2-C 3.3Å; R305-L346 VanDerWaalsContact NH2-CA 3.28Å; L312-L346 HydrophobicContact CB-CD1 4.41Å; L312-L346 HydrophobicContact CD2-CD1 3.73Å; A342-L346 WeakPolarHBondContact O-CB 3.34Å; A342-L346 PolarHBondContact O-N 3.48Å; D343-L346 CarbonylContact O-C 3.53Å; D343-L346 PolarHBondContact O-N 3.37Å; Q344-L346 PolarHBondContact O-N 2.95Å; L346-D348 PolarHBondContact O-N 3.45Å; L346-S349 VanDerWaalsContact O-CB 3.25Å; L346-S349 WeakPolarHBondContact O-CB 3.34Å; L346-S349 PolarHBondContact O-N 3.26Å; L346-S349 PolarHBondContact O-OG 2.84Å; L346-V351 HydrophobicContact CD1-CB 4.08Å; L346-V351 HydrophobicContact CD1-CG1 3.96Å; L346-V351 HydrophobicContact CD2-CB 4.04Å; L346-V351 HydrophobicContact CD2-CG2 4.02Å; L346-V351 HydrophobicContact CG-CB 4.47Å; L346-V353 HydrophobicContact CD1-CG2 3.46Å; L346-V353 VanDerWaalsContact CD1-CG2 3.46Å
347Q94.3Very high96.5Very high118 Ų11854.2 Ų54.255%0.55129%0.291SS*.THydrogen-bonded Turntrans-51136172.6-75.5173.6-0.500110.8R305 D343 Q344 S349R305-Q347 PolarHBondContact NH2-O 3.22Å; D343-Q347 PolarHBondContact O-N 2.92Å; Q344-Q347 VanDerWaalsContact O-CG 3.3Å; Q344-Q347 WeakPolarHBondContact O-CG 3.41Å; Q344-Q347 PolarHBondContact O-N 2.68Å; Q347-S349 PolarHBondContact O-N 3.26Å
348D93Very high96.7Very high169 Ų16952.1 Ų52.190%0.90428%0.282SS*.THydrogen-bonded Turntrans61.57.3-179-49.5-45.9000116.6L346L346-D348 PolarHBondContact O-N 3.45Å
349S93.9Very high96.8Very high37 Ų3755.9 Ų55.926%0.25930%0.299SS..SBendtrans-82.6-22.6177.770.80000113.7L346 Q347 V351L346-S349 VanDerWaalsContact O-CB 3.25Å; L346-S349 WeakPolarHBondContact O-CB 3.34Å; L346-S349 PolarHBondContact O-N 3.26Å; L346-S349 PolarHBondContact O-OG 2.84Å; Q347-S349 PolarHBondContact O-N 3.26Å; S349-V351 PolarHBondContact O-N 3.15Å; S349-V351 WeakPolarHBondContact OG-CB 3.38Å; S349-V351 WeakPolarHBondContact OG-CG2 3.37Å; S349-V351 PolarHBondContact OG-N 3.1Å; S349-V351 VanDerWaalsContact OG-N 3.08Å
350G93.9Very high96.9Very high77 Ų7755.5 Ų55.579%0.79430%0.299SS*.  trans714.9-169.300000114.5
351V97.9Very high96.9Very high17 Ų1753.3 Ų53.310%0.10330%0.295CS..PPolyproline II helixtrans-76.4124.6174.9-175.40000109.6A304 A309 L312 L346 S349A304-V351 HydrophobicContact CB-CG1 4.44Å; A309-V351 WeakPolarHBondContact O-CG2 3.38Å; L312-V351 HydrophobicContact CB-CG1 3.97Å; L346-V351 HydrophobicContact CD1-CB 4.08Å; L346-V351 HydrophobicContact CD1-CG1 3.96Å; L346-V351 HydrophobicContact CD2-CB 4.04Å; L346-V351 HydrophobicContact CD2-CG2 4.02Å; L346-V351 HydrophobicContact CG-CB 4.47Å; S349-V351 PolarHBondContact O-N 3.15Å; S349-V351 WeakPolarHBondContact OG-CB 3.38Å; S349-V351 WeakPolarHBondContact OG-CG2 3.37Å; S349-V351 PolarHBondContact OG-N 3.1Å; S349-V351 VanDerWaalsContact OG-N 3.08Å
352E98.2Very high96.9Very high108 Ų10853 Ų5351%0.50529%0.293SS..EExtended strand (participates in β ladder)trans-83123.7173.2168.3-169.8-161.500110.1R310 R311 L312 I354R310-E352 PolarHBondContact O-N 3.22Å; R310-E352 VanDerWaalsContact O-N 3.1Å; R311-E352 CarbonylContact C-O 3.52Å; R311-E352 VanDerWaalsContact CA-O 3.27Å; R311-E352 WeakPolarHBondContact CA-O 3.33Å; R311-E352 WeakPolarHBondContact CD-OE2 3.49Å; R311-E352 HydrophobicContact CG-CB 4.09Å; R311-E352 HydrophobicContact CG-CG 4.42Å; R311-E352 WeakPolarHBondContact CG-OE2 3.42Å; L312-E352 PolarHBondContact N-O 3.16Å; E352-I354 HydrophobicContact CG-CD1 4.45Å; E352-I354 HydrophobicContact CG-CG1 4.13Å
353V98.4Very high96.9Very high6 Ų657.8 Ų57.84%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-92.9132.7175.2-172.90000110.5L312 L314 K339 A342 D343 L346L312-V353 CarbonylContact O-C 3.54Å; L312-V353 WeakPolarHBondContact O-CA 3.29Å; L314-V353 HydrophobicContact CD1-CG1 4.17Å; L314-V353 HydrophobicContact CG-CG1 4.16Å; K339-V353 WeakPolarHBondContact CE-O 3.48Å; K339-V353 HydrophobicContact CG-CB 4.42Å; K339-V353 HydrophobicContact CG-CG1 4Å; K339-V353 PolarHBondContact NZ-O 2.7Å; A342-V353 HydrophobicContact CB-CG1 3.85Å; A342-V353 HydrophobicContact CB-CG2 4.16Å; D343-V353 VanDerWaalsContact OD1-CB 3.32Å; D343-V353 WeakPolarHBondContact OD1-CB 3.45Å; D343-V353 WeakPolarHBondContact OD1-CG2 3.44Å; L346-V353 HydrophobicContact CD1-CG2 3.46Å; L346-V353 VanDerWaalsContact CD1-CG2 3.46Å
354I98.4Very high96.8Very high27 Ų2755 Ų5514%0.13830%0.301CS..EExtended strand (participates in β ladder)trans-126.3134.1178.9-58172.1000108.5L312 V313 L314 E352 L360 I362L312-I354 PolarHBondContact O-N 3.05Å; V313-I354 CarbonylContact C-O 3.55Å; V313-I354 WeakPolarHBondContact CA-O 3.26Å; V313-I354 HydrophobicContact CG1-CB 4.31Å; V313-I354 HydrophobicContact CG1-CG2 4.29Å; V313-I354 HydrophobicContact CG2-CB 4.29Å; V313-I354 HydrophobicContact CG2-CD1 4.49Å; L314-I354 PolarHBondContact N-O 3.48Å; E352-I354 HydrophobicContact CG-CD1 4.45Å; E352-I354 HydrophobicContact CG-CG1 4.13Å; I354-L360 HydrophobicContact CG2-CD2 3.85Å; I354-I362 HydrophobicContact CD1-CD1 4.02Å; I354-I362 HydrophobicContact CG2-CD1 4.04Å
355L97.7Very high96.5Very high26 Ų2652.2 Ų52.214%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-87.4127.9167.8-66178000109.3L314 F317 V335 K339 L360L314-L355 HydrophobicContact CB-CD2 4.15Å; L314-L355 HydrophobicContact CD1-CD2 4.1Å; F317-L355 HydrophobicContact CE1-CD2 4.06Å; F317-L355 HydrophobicContact CZ-CB 4.43Å; F317-L355 HydrophobicContact CZ-CD2 3.83Å; V335-L355 HydrophobicContact CG1-CD1 4.08Å; V335-L355 HydrophobicContact CG2-CD1 4.13Å; V335-L355 HydrophobicContact CG2-CD2 4.37Å; V335-L355 WeakPolarHBondContact O-CD1 3.36Å; K339-L355 HydrophobicContact CB-CD1 3.83Å; K339-L355 HydrophobicContact CB-CD2 3.88Å; K339-L355 HydrophobicContact CB-CG 3.76Å; K339-L355 HydrophobicContact CD-CG 4.32Å; K339-L355 HydrophobicContact CG-CD2 4.44Å; K339-L355 HydrophobicContact CG-CG 4.1Å; L355-L360 WeakPolarHBondContact O-CD2 3.2Å
356A97.5Very high96.1Very high0 Ų053.3 Ų53.30%030%0.296CS..  trans-70.2139.6171.300000111.1F7 T10 R19 V313 L314 F317F7-A356 HydrophobicContact CD1-CB 3.58Å; F7-A356 HydrophobicContact CD2-CB 4.34Å; F7-A356 HydrophobicContact CE1-CB 3.7Å; F7-A356 HydrophobicContact CE2-CB 4.44Å; F7-A356 HydrophobicContact CG-CB 3.92Å; F7-A356 HydrophobicContact CZ-CB 4.13Å; T10-A356 HydrophobicContact CG2-CB 3.59Å; R19-A356 PolarHBondContact NH1-O 2.8Å; V313-A356 HydrophobicContact CG1-CB 4.09Å; L314-A356 WeakPolarHBondContact O-CB 3.45Å; L314-A356 PolarHBondContact O-N 2.85Å; F317-A356 HydrophobicContact CE2-CB 4.38Å; F317-A356 VanDerWaalsContact CE2-O 3.27Å; F317-A356 WeakPolarHBondContact CE2-O 3.37Å
357E96.3Very high95.4Very high64 Ų6455.6 Ų55.630%0.29931%0.305SS..  trans-130.5152.7164.9-66-172.6160.900107.8S324 F359 L360S324-E357 VanDerWaalsContact CB-OE1 3.26Å; S324-E357 WeakPolarHBondContact CB-OE1 3.43Å; S324-E357 PolarHBondContact N-OE1 3.47Å; S324-E357 PolarHBondContact OG-OE1 3Å; E357-F359 PolarHBondContact O-N 3.12Å; E357-L360 WeakPolarHBondContact O-CB 3.42Å; E357-L360 PolarHBondContact O-N 3.27Å
358D97.2Very high94.1Very high29 Ų2961.3 Ų61.316%0.15532%0.322CS..THydrogen-bonded Turntrans-51.9131.7172.9-72.117.7000109.4G9 T10 R19 G20 Q44 L360G9-D358 VanDerWaalsContact CA-OD1 3.31Å; G9-D358 WeakPolarHBondContact CA-OD1 3.43Å; T10-D358 PolarHBondContact N-OD1 3.33Å; T10-D358 PolarHBondContact OG1-OD1 3.31Å; R19-D358 WeakPolarHBondContact CA-OD2 3.26Å; G20-D358 PolarHBondContact N-OD2 3.39Å; Q44-D358 PolarHBondContact NE2-OD2 3.37Å; D358-L360 VanDerWaalsContact C-N 3.26Å; D358-L360 PolarHBondContact O-N 3.06Å
359F97.4Very high92.4Very high81 Ų8157.2 Ų57.236%0.35530%0.297SS..THydrogen-bonded Turntrans70.42.7-175.5-42.2-64.8000116.7F7 Q44 K47 E357 T361F7-F359 VanDerWaalsContact O-CA 3.24Å; F7-F359 WeakPolarHBondContact O-CA 3.35Å; F7-F359 PolarHBondContact O-N 3.01Å; Q44-F359 HydrophobicContact CB-CE1 4.25Å; Q44-F359 VanDerWaalsContact NE2-CZ 3.31Å; Q44-F359 WeakPolarHBondContact O-CE1 3.34Å; K47-F359 HydrophobicContact CB-CE1 3.94Å; K47-F359 HydrophobicContact CB-CZ 3.79Å; K47-F359 HydrophobicContact CD-CZ 3.9Å; E357-F359 PolarHBondContact O-N 3.12Å; F359-T361 PolarHBondContact O-N 3.19Å
360L97.3Very high90.1Very high55 Ų5561.1 Ų61.129%0.28832%0.322SS..  trans-56.2129.1168.4177.266.2000109.5T6 F7 I354 L355 E357 D358 I362T6-L360 CarbonylContact C-O 3.6Å; T6-L360 VanDerWaalsContact CA-O 3.29Å; T6-L360 WeakPolarHBondContact CA-O 3.5Å; F7-L360 HydrophobicContact CD2-CB 4.29Å; F7-L360 HydrophobicContact CD2-CD2 4.35Å; F7-L360 HydrophobicContact CD2-CG 4.46Å; F7-L360 HydrophobicContact CE2-CD2 4.5Å; F7-L360 PolarHBondContact N-O 2.9Å; I354-L360 HydrophobicContact CG2-CD2 3.85Å; L355-L360 WeakPolarHBondContact O-CD2 3.2Å; E357-L360 WeakPolarHBondContact O-CB 3.42Å; E357-L360 PolarHBondContact O-N 3.27Å; D358-L360 VanDerWaalsContact C-N 3.26Å; D358-L360 PolarHBondContact O-N 3.06Å; L360-I362 HydrophobicContact CD2-CD1 4.07Å; L360-I362 HydrophobicContact CD2-CG1 4.09Å; L360-I362 HydrophobicContact CG-CG1 4.1Å
361T97.6Very high87.7Confident61 Ų6163.2 Ų63.237%0.37432%0.324SS..EExtended strand (participates in β ladder)trans-120.1119.8174.7-61.20000110.6D4 M5 T6 F359D4-T361 HydrophobicContact CB-CG2 3.98Å; M5-T361 CarbonylContact O-C 3.59Å; M5-T361 VanDerWaalsContact O-CA 3.3Å; M5-T361 WeakPolarHBondContact O-CA 3.5Å; T6-T361 PolarHBondContact OG1-OG1 3.32Å; F359-T361 PolarHBondContact O-N 3.19Å
362I97.3Very high84.8Confident10 Ų1071.3 Ų71.35%0.05138%0.381CS..EExtended strand (participates in β ladder)trans-104.2123-179.2-57.3178.2000109.2D4 M5 F7 V313 I354 L360D4-I362 CarbonylContact C-O 3.39Å; D4-I362 VanDerWaalsContact CA-O 3.23Å; D4-I362 WeakPolarHBondContact CA-O 3.28Å; D4-I362 WeakPolarHBondContact CB-O 3.38Å; M5-I362 PolarHBondContact N-O 3.05Å; M5-I362 PolarHBondContact O-N 3.4Å; F7-I362 HydrophobicContact CE2-CD1 3.82Å; F7-I362 HydrophobicContact CE2-CG1 4.38Å; V313-I362 HydrophobicContact CB-CD1 4.43Å; V313-I362 HydrophobicContact CG1-CD1 4.01Å; V313-I362 HydrophobicContact CG2-CD1 3.52Å; I354-I362 HydrophobicContact CD1-CD1 4.02Å; I354-I362 HydrophobicContact CG2-CD1 4.04Å; L360-I362 HydrophobicContact CD2-CD1 4.07Å; L360-I362 HydrophobicContact CD2-CG1 4.09Å; L360-I362 HydrophobicContact CG-CG1 4.1Å
363Q96.7Very high84.2Confident101 Ų10169.5 Ų69.547%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-77.8139.7174-66-64.5-4400111D4 R311 P365D4-Q363 VanDerWaalsContact CB-NE2 3.26Å; D4-Q363 PolarHBondContact OD2-NE2 2.81Å; R311-Q363 PolarHBondContact NH1-O 2.81Å; R311-Q363 PolarHBondContact NH2-O 2.89Å; Q363-P365 WeakPolarHBondContact O-CD 3.43Å
364I96.2Very high83.4Confident2 Ų272.8 Ų72.81%0.0139%0.393CS..  trans-119.584179.7-45.3-175.9000107.8M3 M5 L26 R249 V251 D273 V274M3-I364 HydrophobicContact CB-CB 4.27Å; M3-I364 HydrophobicContact CG-CB 4.12Å; M3-I364 HydrophobicContact CG-CD1 4.24Å; M3-I364 WeakPolarHBondContact O-CA 3.37Å; M3-I364 PolarHBondContact O-N 3.36Å; M3-I364 HydrophobicContact SD-CB 4.17Å; M3-I364 HydrophobicContact SD-CD1 4.24Å; M3-I364 HydrophobicContact SD-CG2 4.13Å; M5-I364 HydrophobicContact CB-CD1 4.31Å; L26-I364 HydrophobicContact CD1-CD1 4.16Å; R249-I364 HydrophobicContact CB-CG2 4.2Å; R249-I364 WeakPolarHBondContact CD-O 3.38Å; R249-I364 HydrophobicContact CG-CG2 4.12Å; R249-I364 PolarHBondContact NH1-O 3.12Å; V251-I364 HydrophobicContact CG2-CD1 3.42Å; V251-I364 VanDerWaalsContact CG2-CD1 3.42Å; V251-I364 HydrophobicContact CG2-CG2 4.49Å; D273-I364 HydrophobicContact CB-CG2 4.15Å; V274-I364 HydrophobicContact CB-CD1 4.36Å; V274-I364 HydrophobicContact CG2-CD1 3.79Å; V274-I364 HydrophobicContact CG2-CG1 3.93Å; V274-I364 HydrophobicContact CG2-CG2 4.42Å
365P92.4Very high82.6Confident72 Ų7275.3 Ų75.347%0.46841%0.407SS..  trans-70.2150.7-176.830.1-34.9000110.6Q363Q363-P365 WeakPolarHBondContact O-CD 3.43Å
366L88.4Confident81.7Confident51 Ų5178.2 Ų78.227%0.26742%0.423SS..  trans-61141.3167.6-74.4159.3000109.5R249 R368R249-L366 HydrophobicContact CG-CD2 4.29Å; L366-R368 PolarHBondContact O-N 3.3Å
367K82.6Confident80.7Confident57 Ų5783.1 Ų83.125%0.24845%0.45CS..  trans-60.7110.9173.4-66.6169.3-175.7165.70107.6P247 D273P247-K367 HydrophobicContact CB-CD 4.11Å; D273-K367 WeakPolarHBondContact OD1-CE 3.42Å; D273-K367 IonicContact OD1-NZ 4Å; D273-K367 WeakPolarHBondContact OD2-CE 3.47Å; D273-K367 IonicContact OD2-NZ 3.76Å; D273-K367 PolarHBondContact OD2-NZ 2.7Å; D273-K367 VanDerWaalsContact OD2-NZ 3.16Å
368R67.6Low79.7Confident237 Ų23784.4 Ų84.489%0.89446%0.46SS*.PPolyproline II helixtrans-73133.7172.3-68.6-174.9-178.9-177.91.5107.2L366L366-R368 PolarHBondContact O-N 3.3Å
369Q56.8Low78.4Confident83 Ų8388.4 Ų88.439%0.38848%0.482SS..PPolyproline II helixtrans-62.5138.6165-65.3-138.6-15.100108.1A244 D245 S371A244-Q369 VanDerWaalsContact CB-NE2 3.33Å; A244-Q369 PolarHBondContact O-NE2 2.99Å; D245-Q369 PolarHBondContact O-NE2 3.47Å; Q369-S371 PolarHBondContact O-N 3.25Å
370P47.2Very low77Confident120 Ų12088.9 Ų88.978%0.77949%0.491SS*.PPolyproline II helixtrans-54.9127.9168.222.9-29.6000107.3S372P370-S372 PolarHBondContact O-N 3.18Å
371S43Very low75.3Confident121 Ų12191.8 Ų91.885%0.84651%0.508SS*.  trans-60.7108.4172.247.60000107.5Q369Q369-S371 PolarHBondContact O-N 3.25Å
372S37.6Very low73.2Confident186 Ų18694.5 Ų94.5100%1.30152%0.52SS*.  trans-64.50169.658.70000111.3P370P370-S372 PolarHBondContact O-N 3.18Å

Retrieved 372 of 372 residues in 73.1 ms (Link to these results)

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