A0A087YJH1_POEFO Loading...

Integrin alpha FG-GAP repeat containing 2

AlphaFold DB , UniProt , Accession A0A087YJH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M75.1Confident86.3Confident131 Ų13181.9 Ų81.965%0.64542%0.421SS*.  0120.20-177.3-179.2-81.400107.9Y331 V339 R341M1-Y331 HydrophobicContact CE-CD1 3.62Å; M1-Y331 HydrophobicContact CE-CE1 3.35Å; M1-Y331 HydrophobicContact SD-CD1 4.24Å; M1-Y331 HydrophobicContact SD-CE1 3.74Å; M1-V339 WeakPolarHBondContact CA-O 3.36Å; M1-V339 HydrophobicContact CE-CB 4.1Å; M1-V339 HydrophobicContact CE-CG1 3.39Å; M1-V339 HydrophobicContact CG-CB 4.37Å; M1-V339 HydrophobicContact CG-CG1 4.09Å; M1-V339 HydrophobicContact SD-CG1 4.44Å; M1-R341 HydrophobicContact CG-CB 3.98Å; M1-R341 HydrophobicContact SD-CB 3.88Å; M1-R341 HydrophobicContact SD-CG 4.37Å
2R84.4Confident86.9Confident79 Ų7975.1 Ų75.130%0.29839%0.386SS..EExtended strand (participates in β ladder)trans-91.1136.7178.9-178.7178.969.9-168.71.9108.9V339 V340 R341 R386R2-V339 PolarHBondContact N-O 2.98Å; R2-V340 CarbonylContact O-C 3.45Å; R2-V340 WeakPolarHBondContact O-CA 3.17Å; R2-R341 PolarHBondContact O-N 2.72Å; R2-R386 VanDerWaalsContact CZ-O 3.28Å; R2-R386 PolarHBondContact NH1-O 2.86Å; R2-R386 PolarHBondContact NH2-O 3.32Å
3S85.4Confident87.3Confident72 Ų7275.3 Ų75.350%0.50339%0.388SS..EExtended strand (participates in β ladder)trans-90.8141.3171.8-154.40000110R341S3-R341 CarbonylContact C-O 3.57Å; S3-R341 VanDerWaalsContact CA-O 3.3Å; S3-R341 WeakPolarHBondContact CA-O 3.49Å
4L86.8Confident87.5Confident24 Ų2470.1 Ų70.113%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-118160.9175-63.7177.5000111.4F6 V340 R341 F342 L384L4-F6 HydrophobicContact CD1-CE1 4.26Å; L4-F6 HydrophobicContact CD1-CE2 4.13Å; L4-F6 HydrophobicContact CD1-CZ 3.59Å; L4-V340 HydrophobicContact CB-CG1 4.43Å; L4-V340 HydrophobicContact CD1-CB 4.44Å; L4-V340 HydrophobicContact CD1-CG1 3.14Å; L4-V340 HydrophobicContact CD2-CG1 3.96Å; L4-V340 HydrophobicContact CG-CG1 3.22Å; L4-R341 PolarHBondContact N-O 3.22Å; L4-F342 WeakPolarHBondContact O-CD2 3.12Å; L4-L384 HydrophobicContact CD1-CD1 3.63Å; L4-L384 HydrophobicContact CD1-CD2 3.42Å; L4-L384 VanDerWaalsContact CD1-CD2 3.42Å; L4-L384 HydrophobicContact CD1-CG 4.09Å; L4-L384 HydrophobicContact CD2-CD2 3.8Å; L4-L384 HydrophobicContact CG-CD2 4.25Å
5N85.6Confident87.2Confident136 Ų13672.8 Ų72.873%0.72738%0.382SS*.  trans-132.5117.9165-68.6-47.4000108.5
6F86.8Confident87.2Confident28 Ų2869.5 Ų69.512%0.12337%0.371CS..  trans-87.7131.3170.1-63.1-65.9000109.8L4 I332 F342 L367 Y379 V382 L384L4-F6 HydrophobicContact CD1-CE1 4.26Å; L4-F6 HydrophobicContact CD1-CE2 4.13Å; L4-F6 HydrophobicContact CD1-CZ 3.59Å; F6-I332 HydrophobicContact CE2-CD1 4.46Å; F6-I332 HydrophobicContact CZ-CD1 4.4Å; F6-F342 HydrophobicContact CB-CE2 4.13Å; F6-F342 HydrophobicContact CB-CZ 4.43Å; F6-F342 HydrophobicContact CD2-CB 4.31Å; F6-F342 HydrophobicContact CD2-CD1 4.05Å; F6-F342 AromaticContact CD2-CD2 3.5Å; F6-F342 HydrophobicContact CD2-CD2 3.5Å; F6-F342 HydrophobicContact CD2-CE1 4.26Å; F6-F342 AromaticContact CD2-CE2 3.77Å; F6-F342 HydrophobicContact CD2-CE2 3.77Å; F6-F342 AromaticContact CD2-CG 3.67Å; F6-F342 HydrophobicContact CD2-CG 3.67Å; F6-F342 HydrophobicContact CD2-CZ 4.13Å; F6-F342 HydrophobicContact CE2-CB 4.01Å; F6-F342 HydrophobicContact CE2-CD1 4.41Å; F6-F342 HydrophobicContact CE2-CD2 4.04Å; F6-F342 AromaticContact CE2-CG 3.88Å; F6-F342 HydrophobicContact CE2-CG 3.88Å; F6-F342 HydrophobicContact CG-CD2 4.4Å; F6-F342 HydrophobicContact CG-CE2 4.37Å; F6-L367 HydrophobicContact CD2-CD1 4.35Å; F6-L367 HydrophobicContact CE2-CD1 4.05Å; F6-Y379 HydrophobicContact CB-CD1 3.67Å; F6-Y379 HydrophobicContact CB-CE1 4.36Å; F6-Y379 HydrophobicContact CB-CG 4.45Å; F6-V382 HydrophobicContact CD1-CG1 4.35Å; F6-V382 HydrophobicContact CD1-CG2 4.44Å; F6-V382 HydrophobicContact CD2-CG1 4.35Å; F6-V382 HydrophobicContact CE1-CB 4.26Å; F6-V382 HydrophobicContact CE1-CG1 3.72Å; F6-V382 HydrophobicContact CE2-CG1 3.72Å; F6-V382 HydrophobicContact CG-CG2 4.44Å; F6-V382 HydrophobicContact CZ-CB 4.37Å; F6-V382 HydrophobicContact CZ-CG1 3.37Å; F6-L384 HydrophobicContact CE1-CD2 4.22Å; F6-L384 HydrophobicContact CZ-CD2 4.43Å
7V81.4Confident87.3Confident124 Ų12470.3 Ų70.375%0.75238%0.38SS*.  trans-96-35.2-173.6-177.70000111.7R9V7-R9 PolarHBondContact O-N 3.42Å; V7-R9 VanDerWaalsContact O-N 3.16Å
8H87Confident87.6Confident90 Ų9066.8 Ų66.842%0.41736%0.361SS..  trans-79.5100-174.7-68.4-60.4000110.7Y379 W380H8-Y379 VanDerWaalsContact O-CA 3.32Å; H8-Y379 WeakPolarHBondContact O-CA 3.31Å; H8-W380 HydrophobicContact CB-CD2 4.05Å; H8-W380 HydrophobicContact CB-CG 4.26Å; H8-W380 HydrophobicContact CB-CZ2 4.04Å; H8-W380 WeakPolarHBondContact CB-O 3.2Å; H8-W380 AromaticContact ND1-CZ2 3.79Å; H8-W380 PolarHBondContact O-N 2.94Å
9R91.3Very high87.8Confident143 Ų14367.6 Ų67.654%0.5436%0.361SS..EExtended strand (participates in β ladder)trans-129.4148178.273.6178.7-175.8-175.8-0.5113.3V7 I378 Y379V7-R9 PolarHBondContact O-N 3.42Å; V7-R9 VanDerWaalsContact O-N 3.16Å; R9-I378 CarbonylContact C-O 3.57Å; R9-I378 VanDerWaalsContact CA-O 3.26Å; R9-I378 WeakPolarHBondContact CA-O 3.38Å; R9-Y379 HydrophobicContact CB-CD1 3.96Å; R9-Y379 HydrophobicContact CB-CE1 3.93Å; R9-Y379 HydrophobicContact CB-CG 4.38Å
10V92.8Very high88Confident18 Ų1867.2 Ų67.211%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-124.1140.9168.9178.40000108.4L12 D51 Y377 I378V10-L12 HydrophobicContact CG1-CD2 3.87Å; V10-D51 HydrophobicContact CG2-CB 4.38Å; V10-Y377 WeakPolarHBondContact O-CA 3.44Å; V10-I378 PolarHBondContact N-O 3.3Å; V10-I378 PolarHBondContact O-N 3.43Å
11S93.2Very high88.2Confident56 Ų5666.2 Ų66.239%0.39236%0.355SS..EExtended strand (participates in β ladder)trans-109125.7173.2620000109.9I376S11-I376 CarbonylContact C-O 3.51Å; S11-I376 WeakPolarHBondContact CA-O 3.41Å
12L93.5Very high89.2Confident0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-103.4143.7175.4-44175.5000110.3V10 F14 L36 Y48 E52 I376 I378V10-L12 HydrophobicContact CG1-CD2 3.87Å; L12-F14 PolarHBondContact O-N 3.15Å; L12-L36 HydrophobicContact CD1-CD2 3.69Å; L12-Y48 HydrophobicContact CB-CD1 4.07Å; L12-Y48 HydrophobicContact CB-CE1 3.93Å; L12-Y48 HydrophobicContact CD1-CD1 3.76Å; L12-Y48 HydrophobicContact CD1-CD2 4.27Å; L12-Y48 HydrophobicContact CD1-CE1 4.32Å; L12-Y48 HydrophobicContact CD1-CG 3.73Å; L12-Y48 HydrophobicContact CD2-CD1 4.39Å; L12-Y48 HydrophobicContact CG-CD1 4.32Å; L12-E52 WeakPolarHBondContact CD2-O 3.32Å; L12-I376 HydrophobicContact CB-CB 4.15Å; L12-I376 HydrophobicContact CD1-CB 4.42Å; L12-I376 HydrophobicContact CD1-CG2 4.32Å; L12-I376 PolarHBondContact N-O 2.91Å; L12-I376 PolarHBondContact O-N 3.07Å; L12-I378 HydrophobicContact CD1-CD1 3.48Å; L12-I378 VanDerWaalsContact CD1-CD1 3.48Å; L12-I378 HydrophobicContact CD1-CG1 4.16Å; L12-I378 HydrophobicContact CG-CD1 4.15Å
13D91.3Very high89.7Confident78 Ų7856.9 Ų56.942%0.41731%0.313SS..EExtended strand (participates in β ladder)trans-82.1110.5179-62.7-42.8000109.2Y48 S53D13-Y48 PolarHBondContact O-OH 3.18Å; D13-S53 PolarHBondContact N-O 3.13Å; D13-S53 PolarHBondContact OD2-OG 3.36Å
14F90.6Very high90.2Very high3 Ų354.2 Ų54.21%0.01330%0.295CS..  trans-123.4109.8178.9170.2-106.8000110.1L12 G16 M18 V38 D40 L46 Q374 I376L12-F14 PolarHBondContact O-N 3.15Å; F14-G16 WeakPolarHBondContact CE1-O 3.49Å; F14-M18 HydrophobicContact CE1-CG 4.38Å; F14-M18 HydrophobicContact CE1-SD 4.3Å; F14-M18 HydrophobicContact CZ-CB 4.09Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 HydrophobicContact CZ-SD 4.17Å; F14-V38 HydrophobicContact CD2-CG1 3.9Å; F14-V38 HydrophobicContact CE2-CG1 3.49Å; F14-V38 VanDerWaalsContact CE2-CG1 3.49Å; F14-V38 HydrophobicContact CZ-CG1 4.12Å; F14-D40 HydrophobicContact CE2-CB 4.1Å; F14-D40 HydrophobicContact CZ-CB 4.08Å; F14-L46 HydrophobicContact CD2-CD1 3.6Å; F14-L46 HydrophobicContact CE2-CD1 3.66Å; F14-Q374 CarbonylContact O-C 3.55Å; F14-Q374 WeakPolarHBondContact O-CA 3.47Å; F14-Q374 VanDerWaalsContact O-CB 3.26Å; F14-Q374 WeakPolarHBondContact O-CB 3.29Å; F14-I376 HydrophobicContact CB-CD1 3.79Å; F14-I376 HydrophobicContact CB-CG1 3.75Å; F14-I376 HydrophobicContact CD2-CD1 4.3Å; F14-I376 HydrophobicContact CG-CD1 4.07Å; F14-I376 HydrophobicContact CG-CG1 4.21Å
15T83.6Confident90.6Very high110 Ų11054.6 Ų54.668%0.67530%0.297SS*.  trans-98.9102178.257.30000110.3
16G85.7Confident91Very high20 Ų2048.7 Ų48.721%0.20627%0.267CS..SBendtrans156.5-176.3177.600000113.2F14F14-G16 WeakPolarHBondContact CE1-O 3.49Å
17T89.8Confident91.4Very high83 Ų8348.3 Ų48.351%0.50927%0.267SS..  trans-114.5156.2166.1610000108.5D40 T41T17-D40 CarbonylContact O-C 3.45Å; T17-D40 WeakPolarHBondContact O-CA 3.26Å; T17-T41 WeakPolarHBondContact O-CG2 3.41Å; T17-T41 PolarHBondContact O-N 2.98Å; T17-T41 PolarHBondContact O-OG1 3.38Å; T17-T41 WeakPolarHBondContact OG1-CG2 3.36Å; T17-T41 PolarHBondContact OG1-OG1 2.99Å
18M92.3Very high91.9Very high8 Ų842.4 Ų42.44%0.03923%0.231CC..  trans-144.8156179.965.3-176-64.400111.2F14 A22 I23 V38 G39 N349 A350 V370F14-M18 HydrophobicContact CE1-CG 4.38Å; F14-M18 HydrophobicContact CE1-SD 4.3Å; F14-M18 HydrophobicContact CZ-CB 4.09Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 HydrophobicContact CZ-SD 4.17Å; M18-A22 HydrophobicContact CB-CB 4.45Å; M18-A22 HydrophobicContact CE-CB 4.05Å; M18-A22 WeakPolarHBondContact CE-O 3.4Å; M18-I23 HydrophobicContact CE-CB 3.62Å; M18-I23 HydrophobicContact CE-CG2 4.3Å; M18-V38 HydrophobicContact CE-CG1 3.72Å; M18-V38 HydrophobicContact SD-CG1 3.7Å; M18-G39 WeakPolarHBondContact CB-O 3.41Å; M18-N349 PolarHBondContact O-ND2 2.8Å; M18-N349 VanDerWaalsContact O-ND2 3.08Å; M18-A350 HydrophobicContact CE-CB 4.36Å; M18-A350 HydrophobicContact SD-CB 4.41Å; M18-V370 HydrophobicContact CG-CG1 4.32Å; M18-V370 HydrophobicContact SD-CB 4.21Å; M18-V370 HydrophobicContact SD-CG1 3.67Å; M18-V370 HydrophobicContact SD-CG2 3.85Å
19F92.6Very high92.1Very high82 Ų8238.5 Ų38.536%0.3621%0.213SC..  trans-78.7153.7170.5-68.8-82.7000111H21 A22 T41 L65 T66F19-H21 PolarHBondContact O-N 3.42Å; F19-H21 VanDerWaalsContact O-N 3.16Å; F19-A22 HydrophobicContact CB-CB 4.38Å; F19-A22 WeakPolarHBondContact O-CB 3.37Å; F19-A22 PolarHBondContact O-N 3.17Å; F19-T41 HydrophobicContact CD2-CG2 4.06Å; F19-T41 HydrophobicContact CE2-CG2 3.8Å; F19-L65 VanDerWaalsContact CD2-O 3.32Å; F19-L65 WeakPolarHBondContact CD2-O 3.26Å; F19-T66 HydrophobicContact CD2-CG2 4.08Å; F19-T66 HydrophobicContact CE2-CG2 3.98Å; F19-T66 HydrophobicContact CZ-CG2 4.47Å
20P90.5Very high92.1Very high58 Ų5834 Ų3438%0.37720%0.2SC..THydrogen-bonded Turntrans-57.1-31.1-177.9-28.436.1000115.2I23P20-I23 WeakPolarHBondContact O-CG2 3.36Å
21H92.6Very high92.1Very high47 Ų4736.3 Ų36.322%0.21821%0.212CC..THydrogen-bonded Turntrans-92.63.5178.6-60.4-66.9000113.9F19 I23 C67 V68 K130 D186F19-H21 PolarHBondContact O-N 3.42Å; F19-H21 VanDerWaalsContact O-N 3.16Å; H21-I23 PolarHBondContact O-N 3.16Å; H21-C67 HydrophobicContact CB-CB 4.14Å; H21-C67 VanDerWaalsContact O-CA 3.3Å; H21-C67 WeakPolarHBondContact O-CA 3.3Å; H21-V68 PolarHBondContact O-N 2.78Å; H21-K130 PolarHBondContact CD2-O 3.45Å; H21-K130 VanDerWaalsContact CD2-O 3.26Å; H21-D186 PolarHBondContact NE2-O 2.95Å
22A95.4Very high92Very high0 Ų038 Ų380%022%0.223CC..SBendtrans-87.826.6177.300000112.5M18 F19 V38 G39 T66 V68M18-A22 HydrophobicContact CB-CB 4.45Å; M18-A22 HydrophobicContact CE-CB 4.05Å; M18-A22 WeakPolarHBondContact CE-O 3.4Å; F19-A22 HydrophobicContact CB-CB 4.38Å; F19-A22 WeakPolarHBondContact O-CB 3.37Å; F19-A22 PolarHBondContact O-N 3.17Å; A22-V38 CarbonylContact O-C 3.54Å; A22-V38 WeakPolarHBondContact O-CA 3.36Å; A22-G39 WeakPolarHBondContact CB-O 3.4Å; A22-G39 PolarHBondContact O-N 3.39Å; A22-T66 PolarHBondContact N-O 3.25Å; A22-V68 WeakPolarHBondContact O-CG2 3.16Å
23I95.7Very high92Very high14 Ų1440 Ų407%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-131.2136.1174.7-173.3162.7000110.1M18 P20 H21 L36 I37 V38 A350 C352 V368 V370M18-I23 HydrophobicContact CE-CB 3.62Å; M18-I23 HydrophobicContact CE-CG2 4.3Å; P20-I23 WeakPolarHBondContact O-CG2 3.36Å; H21-I23 PolarHBondContact O-N 3.16Å; I23-L36 HydrophobicContact CD1-CD1 3.88Å; I23-L36 HydrophobicContact CG1-CD1 3.72Å; I23-I37 WeakPolarHBondContact CA-O 3.48Å; I23-V38 HydrophobicContact CD1-CG2 4.44Å; I23-V38 HydrophobicContact CG1-CG2 4.28Å; I23-A350 HydrophobicContact CG2-CB 4.17Å; I23-C352 HydrophobicContact CD1-CB 4.06Å; I23-C352 HydrophobicContact CG1-CB 4Å; I23-C352 HydrophobicContact CG2-CB 4.11Å; I23-V368 HydrophobicContact CD1-CB 4.48Å; I23-V368 HydrophobicContact CD1-CG1 3.8Å; I23-V370 HydrophobicContact CD1-CG2 3.61Å
24C95.7Very high92.1Very high17 Ų1737.9 Ų37.912%0.11522%0.222CC..EExtended strand (participates in β ladder)trans-150.9158.1169.168.60000112I37 V68C24-I37 PolarHBondContact N-O 2.84Å; C24-I37 PolarHBondContact O-N 3.45Å; C24-V68 HydrophobicContact CB-CG2 4.27Å
25L96Very high92.3Very high32 Ų3237.8 Ų37.817%0.16822%0.222CC..EExtended strand (participates in β ladder)trans-110.8135171.9-68.7169000108.4E35 L36 Y356 C366 V368L25-E35 WeakPolarHBondContact CA-O 3.48Å; L25-L36 HydrophobicContact CD2-CB 3.94Å; L25-L36 HydrophobicContact CD2-CD1 3.77Å; L25-L36 HydrophobicContact CD2-CG 4.47Å; L25-L36 HydrophobicContact CG-CD1 4.4Å; L25-Y356 HydrophobicContact CD2-CD2 3.68Å; L25-Y356 HydrophobicContact CD2-CG 4.21Å; L25-C366 VanDerWaalsContact CD1-SG 3.56Å; L25-V368 HydrophobicContact CD1-CG2 4.14Å; L25-V368 HydrophobicContact CD2-CG2 4.31Å
26G93.9Very high92.9Very high11 Ų1132.5 Ų32.511%0.11319%0.19CC..EExtended strand (participates in β ladder)trans176.3160.3176.500000112.6A28 E35G26-A28 PolarHBondContact O-N 3.44Å; G26-A28 VanDerWaalsContact O-N 3.11Å; G26-E35 PolarHBondContact N-O 3.26Å; G26-E35 PolarHBondContact O-N 3.01Å
27D94Very high93.4Very high20 Ų2031.6 Ų31.611%0.10718%0.18CC..  trans-72.697.3175.6176.57.9000109.7N30 D31 S32 L33 N34 V70 N79D27-N30 WeakPolarHBondContact OD1-CA 3.39Å; D27-N30 PolarHBondContact OD1-N 3.13Å; D27-N30 WeakPolarHBondContact OD2-CA 3.14Å; D27-D31 PolarHBondContact OD1-N 3.09Å; D27-S32 VanDerWaalsContact OD2-CA 3.24Å; D27-S32 WeakPolarHBondContact OD2-CA 3.3Å; D27-S32 PolarHBondContact OD2-N 2.93Å; D27-L33 WeakPolarHBondContact CA-O 3.38Å; D27-N34 PolarHBondContact N-OD1 3.44Å; D27-V70 WeakPolarHBondContact O-CG1 3.27Å; D27-N79 WeakPolarHBondContact O-CB 3.35Å; D27-N79 PolarHBondContact O-ND2 3.48Å; D27-N79 VanDerWaalsContact O-ND2 3.08Å
28A92.4Very high93.7Very high0 Ų027.6 Ų27.60%016%0.156CC..SBendtrans-92.7-24-172.300000112.9G26 E35 I37 V70 V81 L95G26-A28 PolarHBondContact O-N 3.44Å; G26-A28 VanDerWaalsContact O-N 3.11Å; A28-E35 HydrophobicContact CB-CB 4.42Å; A28-E35 PolarHBondContact N-OE2 2.86Å; A28-I37 HydrophobicContact CB-CD1 4.19Å; A28-I37 HydrophobicContact CB-CG1 4.45Å; A28-V70 HydrophobicContact CB-CG1 4.5Å; A28-V70 HydrophobicContact CB-CG2 4.42Å; A28-V81 HydrophobicContact CB-CG2 3.64Å; A28-L95 HydrophobicContact CB-CD1 4.04Å
29D91.5Very high93.8Very high8 Ų827.2 Ų27.24%0.04315%0.154CC..SBendtrans-1086.7177.674.3-7.3000114.7K49 W56 L95D29-K49 IonicContact OD1-NZ 3.3Å; D29-K49 PolarHBondContact OD1-NZ 3.14Å; D29-K49 VanDerWaalsContact OD1-NZ 3.12Å; D29-K49 IonicContact OD2-NZ 2.7Å; D29-K49 PolarHBondContact OD2-NZ 3.45Å; D29-W56 HydrophobicContact CB-CH2 3.85Å; D29-W56 HydrophobicContact CB-CZ3 4.12Å; D29-W56 WeakPolarHBondContact OD2-CH2 3.41Å; D29-L95 HydrophobicContact CB-CB 4.43Å
30N91.9Very high93.9Very high50 Ų5023.5 Ų23.527%0.26714%0.137SC..SBendtrans65.334.2174.7-59-96.8000113.4D27 K78 N79D27-N30 WeakPolarHBondContact OD1-CA 3.39Å; D27-N30 PolarHBondContact OD1-N 3.13Å; D27-N30 WeakPolarHBondContact OD2-CA 3.14Å; N30-K78 WeakPolarHBondContact OD1-CA 3.4Å; N30-N79 PolarHBondContact ND2-O 3.04Å; N30-N79 PolarHBondContact OD1-N 3.38Å
31D91.9Very high94.1Very high66 Ų6622.7 Ų22.735%0.35313%0.132SC..SBendtrans-99.76.917781.2-6.9000113.7D27 L33 K49D27-D31 PolarHBondContact OD1-N 3.09Å; D31-L33 PolarHBondContact O-N 3.49Å; D31-L33 WeakPolarHBondContact OD1-CA 3.43Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 3.39Å; D31-K49 IonicContact OD1-NZ 3.12Å; D31-K49 IonicContact OD2-NZ 2.73Å; D31-K49 PolarHBondContact OD2-NZ 3.25Å
32S90.9Very high94.1Very high90 Ų9024 Ų2463%0.62915%0.146SC*.SBendtrans68.27.7-174.7-49.40000115.3D27 N363D27-S32 VanDerWaalsContact OD2-CA 3.24Å; D27-S32 WeakPolarHBondContact OD2-CA 3.3Å; D27-S32 PolarHBondContact OD2-N 2.93Å; S32-N363 PolarHBondContact O-ND2 3.36Å
33L93.2Very high93.8Very high43 Ų4324 Ų2423%0.22515%0.146CC..SBendtrans-107.7135.6172.5-55.3172.6000108.4D27 D31 T357D27-L33 WeakPolarHBondContact CA-O 3.38Å; D31-L33 PolarHBondContact O-N 3.49Å; D31-L33 WeakPolarHBondContact OD1-CA 3.43Å; D31-L33 WeakPolarHBondContact OD1-CB 3.46Å; D31-L33 PolarHBondContact OD1-N 3.39Å; L33-T357 HydrophobicContact CB-CG2 4.12Å; L33-T357 WeakPolarHBondContact CB-OG1 3.18Å; L33-T357 HydrophobicContact CD1-CG2 4.15Å; L33-T357 HydrophobicContact CD2-CG2 4.1Å; L33-T357 WeakPolarHBondContact CD2-OG1 3.19Å; L33-T357 HydrophobicContact CG-CG2 4.34Å
34N94.3Very high93.7Very high33 Ų3327.7 Ų27.718%0.17616%0.161CC..  trans-86.5129.9-176.4-69.6-12.8000111.4D27 Q355 Y356 T357 N363D27-N34 PolarHBondContact N-OD1 3.44Å; N34-Q355 WeakPolarHBondContact CB-O 3Å; N34-Q355 WeakPolarHBondContact ND2-CB 3.49Å; N34-Q355 PolarHBondContact ND2-O 3.5Å; N34-Y356 WeakPolarHBondContact O-CD2 3.34Å; N34-T357 PolarHBondContact O-N 3.14Å; N34-T357 VanDerWaalsContact O-N 3.15Å; N34-N363 WeakPolarHBondContact CB-OD1 3.26Å; N34-N363 PolarHBondContact N-OD1 3.33Å
35E95Very high93.7Very high1 Ų126.9 Ų26.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-90.8167.4168.7-70.574.9-144.900112.3L25 G26 A28 I37 V47 Y48 K49L25-E35 WeakPolarHBondContact CA-O 3.48Å; G26-E35 PolarHBondContact N-O 3.26Å; G26-E35 PolarHBondContact O-N 3.01Å; A28-E35 HydrophobicContact CB-CB 4.42Å; A28-E35 PolarHBondContact N-OE2 2.86Å; E35-I37 HydrophobicContact CB-CD1 4.19Å; E35-V47 HydrophobicContact CB-CG1 4Å; E35-V47 HydrophobicContact CG-CG1 4.16Å; E35-Y48 WeakPolarHBondContact CB-O 3.48Å; E35-K49 HydrophobicContact CG-CB 4.04Å; E35-K49 HydrophobicContact CG-CD 4.22Å; E35-K49 HydrophobicContact CG-CG 4.02Å; E35-K49 WeakPolarHBondContact OE1-CE 3.19Å; E35-K49 IonicContact OE1-NZ 2.99Å; E35-K49 PolarHBondContact OE1-NZ 3.1Å
36L96.1Very high93.6Very high0 Ų026 Ų260%015%0.151CC..EExtended strand (participates in β ladder)trans-105.5123169.8171.769.3000109.6L12 I23 L25 V38 V47 Y48 Y356 V368 I376 I378L12-L36 HydrophobicContact CD1-CD2 3.69Å; I23-L36 HydrophobicContact CD1-CD1 3.88Å; I23-L36 HydrophobicContact CG1-CD1 3.72Å; L25-L36 HydrophobicContact CD2-CB 3.94Å; L25-L36 HydrophobicContact CD2-CD1 3.77Å; L25-L36 HydrophobicContact CD2-CG 4.47Å; L25-L36 HydrophobicContact CG-CD1 4.4Å; L36-V38 HydrophobicContact CD1-CG2 4.27Å; L36-V38 HydrophobicContact CD2-CG2 4.31Å; L36-V38 HydrophobicContact CG-CG2 4.05Å; L36-V47 CarbonylContact O-C 3.59Å; L36-V47 WeakPolarHBondContact O-CA 3.31Å; L36-Y48 HydrophobicContact CD2-CD2 4.23Å; L36-Y48 HydrophobicContact CG-CD2 4.42Å; L36-Y48 PolarHBondContact N-O 2.89Å; L36-Y48 PolarHBondContact O-N 2.64Å; L36-Y356 HydrophobicContact CB-CD2 4.16Å; L36-Y356 HydrophobicContact CB-CE2 3.68Å; L36-V368 HydrophobicContact CD1-CG1 4.17Å; L36-V368 HydrophobicContact CD2-CG1 4.1Å; L36-I376 HydrophobicContact CD2-CD1 4.38Å; L36-I376 HydrophobicContact CD2-CG2 3.98Å; L36-I378 HydrophobicContact CD2-CD1 3.98Å
37I96.1Very high93.6Very high0 Ų025.4 Ų25.40%015%0.146CC..EExtended strand (participates in β ladder)trans-112.4130.4-179.1-57.279000108.3I23 C24 A28 E35 L45 V47 V68 V70 V81I23-I37 WeakPolarHBondContact CA-O 3.48Å; C24-I37 PolarHBondContact N-O 2.84Å; C24-I37 PolarHBondContact O-N 3.45Å; A28-I37 HydrophobicContact CB-CD1 4.19Å; A28-I37 HydrophobicContact CB-CG1 4.45Å; E35-I37 HydrophobicContact CB-CD1 4.19Å; I37-L45 HydrophobicContact CG2-CD1 3.6Å; I37-L45 HydrophobicContact CG2-CG 4.3Å; I37-V47 HydrophobicContact CG1-CG2 4.47Å; I37-V68 HydrophobicContact CG2-CB 4.26Å; I37-V68 HydrophobicContact CG2-CG2 4.28Å; I37-V70 HydrophobicContact CD1-CG2 3.5Å; I37-V70 HydrophobicContact CG1-CG2 3.88Å; I37-V81 HydrophobicContact CG1-CG1 4.39Å; I37-V81 HydrophobicContact CG2-CG1 3.79Å
38V95.9Very high93.6Very high0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans-134.8124.4-176.8174.90000109.8F14 M18 A22 I23 L36 L46 Y48 I376F14-V38 HydrophobicContact CD2-CG1 3.9Å; F14-V38 HydrophobicContact CE2-CG1 3.49Å; F14-V38 VanDerWaalsContact CE2-CG1 3.49Å; F14-V38 HydrophobicContact CZ-CG1 4.12Å; M18-V38 HydrophobicContact CE-CG1 3.72Å; M18-V38 HydrophobicContact SD-CG1 3.7Å; A22-V38 CarbonylContact O-C 3.54Å; A22-V38 WeakPolarHBondContact O-CA 3.36Å; I23-V38 HydrophobicContact CD1-CG2 4.44Å; I23-V38 HydrophobicContact CG1-CG2 4.28Å; L36-V38 HydrophobicContact CD1-CG2 4.27Å; L36-V38 HydrophobicContact CD2-CG2 4.31Å; L36-V38 HydrophobicContact CG-CG2 4.05Å; V38-L46 HydrophobicContact CB-CB 4.44Å; V38-L46 PolarHBondContact N-O 2.9Å; V38-L46 PolarHBondContact O-N 3.39Å; V38-Y48 HydrophobicContact CB-CE2 4.42Å; V38-Y48 HydrophobicContact CG2-CE2 4.3Å; V38-I376 HydrophobicContact CG1-CD1 4.5Å; V38-I376 HydrophobicContact CG2-CD1 3.8Å
39G95.1Very high93.6Very high0 Ų025.6 Ų25.60%015%0.146CC..EExtended strand (participates in β ladder)trans-99.3133.3169.700000111M18 A22M18-G39 WeakPolarHBondContact CB-O 3.41Å; A22-G39 WeakPolarHBondContact CB-O 3.4Å; A22-G39 PolarHBondContact O-N 3.39Å
40D93.9Very high93.4Very high3 Ų327.8 Ų27.82%0.01616%0.157CC..  trans-98.9167.3173.783.45.9000112.5F14 T17 S42 G43 K44 L65F14-D40 HydrophobicContact CE2-CB 4.1Å; F14-D40 HydrophobicContact CZ-CB 4.08Å; T17-D40 CarbonylContact O-C 3.45Å; T17-D40 WeakPolarHBondContact O-CA 3.26Å; D40-S42 PolarHBondContact O-N 2.94Å; D40-S42 VanDerWaalsContact OD1-C 3.28Å; D40-S42 VanDerWaalsContact OD1-CA 3.25Å; D40-S42 WeakPolarHBondContact OD1-CA 3.32Å; D40-S42 WeakPolarHBondContact OD1-CB 2.88Å; D40-S42 PolarHBondContact OD1-N 3.44Å; D40-S42 PolarHBondContact OD1-OG 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.01Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 2.91Å; D40-K44 PolarHBondContact N-O 3.5Å; D40-K44 PolarHBondContact OD1-N 3.04Å; D40-K44 WeakPolarHBondContact OD2-CB 3.48Å; D40-L65 WeakPolarHBondContact O-CB 3.28Å; D40-L65 PolarHBondContact O-N 3.36Å
41T93.6Very high93.2Very high42 Ų4228.5 Ų28.526%0.25816%0.161SC..THydrogen-bonded Turntrans-73.2-9.8174.757.80000113.6T17 F19 G43 M64T17-T41 WeakPolarHBondContact O-CG2 3.41Å; T17-T41 PolarHBondContact O-N 2.98Å; T17-T41 PolarHBondContact O-OG1 3.38Å; T17-T41 WeakPolarHBondContact OG1-CG2 3.36Å; T17-T41 PolarHBondContact OG1-OG1 2.99Å; F19-T41 HydrophobicContact CD2-CG2 4.06Å; F19-T41 HydrophobicContact CE2-CG2 3.8Å; T41-G43 VanDerWaalsContact C-N 3.32Å; T41-M64 VanDerWaalsContact O-CG 3.29Å; T41-M64 WeakPolarHBondContact O-CG 3.46Å
42S92.6Very high93Very high75 Ų7529.8 Ų29.852%0.52417%0.165SC..THydrogen-bonded Turntrans-86.1-6.2175.586.60000113.3D40D40-S42 PolarHBondContact O-N 2.94Å; D40-S42 VanDerWaalsContact OD1-C 3.28Å; D40-S42 VanDerWaalsContact OD1-CA 3.25Å; D40-S42 WeakPolarHBondContact OD1-CA 3.32Å; D40-S42 WeakPolarHBondContact OD1-CB 2.88Å; D40-S42 PolarHBondContact OD1-N 3.44Å; D40-S42 PolarHBondContact OD1-OG 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.01Å
43G90.9Very high92.9Very high0 Ų027.8 Ų27.80%015%0.151CC..SBendtrans93.18.7-17700000113.8D40 T41 C61 G63D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 2.91Å; T41-G43 VanDerWaalsContact C-N 3.32Å; G43-C61 WeakPolarHBondContact O-CA 3.44Å; G43-C61 VanDerWaalsContact O-CB 3.28Å; G43-C61 WeakPolarHBondContact O-CB 3.19Å; G43-C61 PolarHBondContact O-N 2.96Å; G43-G63 WeakPolarHBondContact CA-O 3.25Å
44K93.3Very high92.8Very high90 Ų9031.7 Ų31.739%0.39117%0.166SC..EExtended strand (participates in β ladder)trans-88.4129.4175.4-61.4173.7-178.5176.20110.9D40 T58 R59D40-K44 PolarHBondContact N-O 3.5Å; D40-K44 PolarHBondContact OD1-N 3.04Å; D40-K44 WeakPolarHBondContact OD2-CB 3.48Å; K44-T58 HydrophobicContact CB-CG2 4.44Å; K44-R59 CarbonylContact C-O 3.52Å; K44-R59 WeakPolarHBondContact CA-O 3.21Å
45L94.4Very high92.7Very high1 Ų132 Ų321%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-99119.6168.3-174.673000108.6I37 T58 R59 L65 V68 V81 A83 F93I37-L45 HydrophobicContact CG2-CD1 3.6Å; I37-L45 HydrophobicContact CG2-CG 4.3Å; L45-T58 CarbonylContact O-C 3.59Å; L45-T58 WeakPolarHBondContact O-CA 3.44Å; L45-R59 HydrophobicContact CB-CB 4.28Å; L45-R59 PolarHBondContact N-O 3.36Å; L45-R59 PolarHBondContact O-N 3.04Å; L45-L65 HydrophobicContact CB-CD1 4.1Å; L45-L65 HydrophobicContact CD1-CD1 4.28Å; L45-V68 HydrophobicContact CD1-CG1 3.72Å; L45-V81 HydrophobicContact CD2-CG1 3.86Å; L45-A83 HydrophobicContact CD1-CB 4.13Å; L45-A83 HydrophobicContact CD2-CB 4.38Å; L45-F93 HydrophobicContact CD2-CD2 3.56Å; L45-F93 HydrophobicContact CD2-CE2 3.69Å; L45-F93 HydrophobicContact CD2-CG 4.25Å; L45-F93 HydrophobicContact CD2-CZ 4.47Å
46L94.6Very high92.5Very high12 Ų1233.3 Ų33.36%0.06318%0.175CC..EExtended strand (participates in β ladder)trans-112.5127.9-176.5-62.4157.9000108.5F14 V38 Y48 P55 T58F14-L46 HydrophobicContact CD2-CD1 3.6Å; F14-L46 HydrophobicContact CE2-CD1 3.66Å; V38-L46 HydrophobicContact CB-CB 4.44Å; V38-L46 PolarHBondContact N-O 2.9Å; V38-L46 PolarHBondContact O-N 3.39Å; L46-Y48 HydrophobicContact CB-CE2 3.83Å; L46-P55 HydrophobicContact CB-CB 4.28Å; L46-P55 HydrophobicContact CD2-CB 3.82Å; L46-P55 HydrophobicContact CD2-CG 3.75Å; L46-T58 HydrophobicContact CD2-CG2 3.77Å; L46-T58 WeakPolarHBondContact CD2-OG1 3.37Å
47V94.8Very high92.3Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-115.5123.2177.3-175.90000107.9E35 L36 I37 P55 W56 V57 L95E35-V47 HydrophobicContact CB-CG1 4Å; E35-V47 HydrophobicContact CG-CG1 4.16Å; L36-V47 CarbonylContact O-C 3.59Å; L36-V47 WeakPolarHBondContact O-CA 3.31Å; I37-V47 HydrophobicContact CG1-CG2 4.47Å; V47-P55 CarbonylContact O-C 3.5Å; V47-P55 WeakPolarHBondContact O-CA 3.32Å; V47-W56 HydrophobicContact CG1-CE3 3.92Å; V47-W56 HydrophobicContact CG1-CZ3 4.45Å; V47-W56 WeakPolarHBondContact O-CA 3.26Å; V47-W56 WeakPolarHBondContact O-CB 3.38Å; V47-W56 PolarHBondContact O-N 3.16Å; V47-V57 HydrophobicContact CB-CB 4.23Å; V47-V57 HydrophobicContact CG2-CB 4.46Å; V47-V57 PolarHBondContact N-O 3.14Å; V47-V57 PolarHBondContact O-N 2.91Å; V47-L95 HydrophobicContact CG1-CD1 4.26Å; V47-L95 HydrophobicContact CG2-CD1 3.8Å
48Y93.8Very high92.1Very high1 Ų137 Ų370%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-108.7137.6176.4-59.2-96.1000109.5L12 D13 E35 L36 V38 L46 P55 I376L12-Y48 HydrophobicContact CB-CD1 4.07Å; L12-Y48 HydrophobicContact CB-CE1 3.93Å; L12-Y48 HydrophobicContact CD1-CD1 3.76Å; L12-Y48 HydrophobicContact CD1-CD2 4.27Å; L12-Y48 HydrophobicContact CD1-CE1 4.32Å; L12-Y48 HydrophobicContact CD1-CG 3.73Å; L12-Y48 HydrophobicContact CD2-CD1 4.39Å; L12-Y48 HydrophobicContact CG-CD1 4.32Å; D13-Y48 PolarHBondContact O-OH 3.18Å; E35-Y48 WeakPolarHBondContact CB-O 3.48Å; L36-Y48 HydrophobicContact CD2-CD2 4.23Å; L36-Y48 HydrophobicContact CG-CD2 4.42Å; L36-Y48 PolarHBondContact N-O 2.89Å; L36-Y48 PolarHBondContact O-N 2.64Å; V38-Y48 HydrophobicContact CB-CE2 4.42Å; V38-Y48 HydrophobicContact CG2-CE2 4.3Å; L46-Y48 HydrophobicContact CB-CE2 3.83Å; Y48-P55 HydrophobicContact CD1-CB 4.4Å; Y48-P55 HydrophobicContact CE1-CB 4.09Å; Y48-I376 HydrophobicContact CE2-CD1 4.09Å
49K91.3Very high91.8Very high23 Ų2337.9 Ų37.910%0.120%0.201CC..  trans-130.6139.4-179.3-170.4168179.8115.60108.4D29 D31 E35 W56D29-K49 IonicContact OD1-NZ 3.3Å; D29-K49 PolarHBondContact OD1-NZ 3.14Å; D29-K49 VanDerWaalsContact OD1-NZ 3.12Å; D29-K49 IonicContact OD2-NZ 2.7Å; D29-K49 PolarHBondContact OD2-NZ 3.45Å; D31-K49 IonicContact OD1-NZ 3.12Å; D31-K49 IonicContact OD2-NZ 2.73Å; D31-K49 PolarHBondContact OD2-NZ 3.25Å; E35-K49 HydrophobicContact CG-CB 4.04Å; E35-K49 HydrophobicContact CG-CD 4.22Å; E35-K49 HydrophobicContact CG-CG 4.02Å; E35-K49 WeakPolarHBondContact OE1-CE 3.19Å; E35-K49 IonicContact OE1-NZ 2.99Å; E35-K49 PolarHBondContact OE1-NZ 3.1Å; K49-W56 HydrophobicContact CB-CB 4.01Å; K49-W56 HydrophobicContact CB-CD2 4.41Å; K49-W56 HydrophobicContact CB-CE3 4.49Å; K49-W56 HydrophobicContact CB-CG 4.18Å; K49-W56 HydrophobicContact CD-CD2 4.21Å; K49-W56 HydrophobicContact CD-CE3 4.25Å; K49-W56 HydrophobicContact CD-CZ3 4.5Å
50N88.4Confident91.6Very high53 Ų5341.4 Ų41.428%0.28322%0.223SC..THydrogen-bonded Turntrans61-134.8179.4-54.6-42.7000114.1Y356 T357N50-Y356 PolarHBondContact N-OH 3.2Å; N50-Y356 VanDerWaalsContact O-CE1 3.26Å; N50-Y356 WeakPolarHBondContact O-CE1 3.18Å; N50-Y356 VanDerWaalsContact O-CZ 3.29Å; N50-Y356 PolarHBondContact O-OH 2.7Å; N50-T357 VanDerWaalsContact CA-O 3.3Å; N50-T357 WeakPolarHBondContact CA-O 3.45Å; N50-T357 PolarHBondContact N-O 3.47Å
51D86.9Confident91.4Very high66 Ų6641.8 Ų41.835%0.35323%0.225SC..THydrogen-bonded Turntrans-109.813-178.966.9-42.4000113.2V10 S53 K359V10-D51 HydrophobicContact CG2-CB 4.38Å; D51-S53 PolarHBondContact O-N 3.39Å; D51-K359 HydrophobicContact CB-CG 3.8Å; D51-K359 WeakPolarHBondContact OD2-CE 2.87Å; D51-K359 WeakPolarHBondContact OD2-CG 3.47Å; D51-K359 IonicContact OD2-NZ 3.93Å
52E88.8Confident91.2Very high92 Ų9243.9 Ų43.943%0.4324%0.238SC..  trans-67.6127.7178.8-65.4-173.5-167.400110.7L12 K54L12-E52 WeakPolarHBondContact CD2-O 3.32Å; E52-K54 PolarHBondContact O-N 3.39Å
53S88.8Confident91Very high48 Ų4841.4 Ų41.434%0.33622%0.224SC..SBendtrans-67.6-22.8-179.580.10000113D13 D51D13-S53 PolarHBondContact N-O 3.13Å; D13-S53 PolarHBondContact OD2-OG 3.36Å; D51-S53 PolarHBondContact O-N 3.39Å
54K91.3Very high91.1Very high126 Ų12645.3 Ų45.355%0.54824%0.244SC..SBendtrans-100.4152.5-177.5-69.2-176.6-178.8179.10110.6E52 W56E52-K54 PolarHBondContact O-N 3.39Å; K54-W56 PolarHBondContact O-N 3Å
55P92Very high91.2Very high40 Ų4041 Ų4126%0.2623%0.225SC..  trans-61.8134.4175.128.5-37.8000110.6L46 V47 Y48L46-P55 HydrophobicContact CB-CB 4.28Å; L46-P55 HydrophobicContact CD2-CB 3.82Å; L46-P55 HydrophobicContact CD2-CG 3.75Å; V47-P55 CarbonylContact O-C 3.5Å; V47-P55 WeakPolarHBondContact O-CA 3.32Å; Y48-P55 HydrophobicContact CD1-CB 4.4Å; Y48-P55 HydrophobicContact CE1-CB 4.09Å
56W91Very high91.2Very high27 Ų2741.5 Ų41.510%0.10223%0.228CC..SBendtrans-65.2-43.1172.6173.563.3000111.4D29 V47 K49 K54 A98D29-W56 HydrophobicContact CB-CH2 3.85Å; D29-W56 HydrophobicContact CB-CZ3 4.12Å; D29-W56 WeakPolarHBondContact OD2-CH2 3.41Å; V47-W56 HydrophobicContact CG1-CE3 3.92Å; V47-W56 HydrophobicContact CG1-CZ3 4.45Å; V47-W56 WeakPolarHBondContact O-CA 3.26Å; V47-W56 WeakPolarHBondContact O-CB 3.38Å; V47-W56 PolarHBondContact O-N 3.16Å; K49-W56 HydrophobicContact CB-CB 4.01Å; K49-W56 HydrophobicContact CB-CD2 4.41Å; K49-W56 HydrophobicContact CB-CE3 4.49Å; K49-W56 HydrophobicContact CB-CG 4.18Å; K49-W56 HydrophobicContact CD-CD2 4.21Å; K49-W56 HydrophobicContact CD-CE3 4.25Å; K49-W56 HydrophobicContact CD-CZ3 4.5Å; K54-W56 PolarHBondContact O-N 3Å; W56-A98 HydrophobicContact CH2-CB 3.96Å; W56-A98 HydrophobicContact CZ2-CB 4.02Å
57V90.9Very high91.2Very high16 Ų1641 Ų4110%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-134.7138.3176.6176.40000109.1V47 R59 L95 A98V47-V57 HydrophobicContact CB-CB 4.23Å; V47-V57 HydrophobicContact CG2-CB 4.46Å; V47-V57 PolarHBondContact N-O 3.14Å; V47-V57 PolarHBondContact O-N 2.91Å; V57-R59 HydrophobicContact CG1-CG 3.99Å; V57-L95 HydrophobicContact CG1-CD2 4.26Å; V57-A98 HydrophobicContact CG2-CB 3.96Å
58T91.4Very high91.3Very high62 Ų6241.3 Ų41.338%0.3823%0.227SC..EExtended strand (participates in β ladder)trans-122.5128.1169.2-55.40000108.6K44 L45 L46K44-T58 HydrophobicContact CB-CG2 4.44Å; L45-T58 CarbonylContact O-C 3.59Å; L45-T58 WeakPolarHBondContact O-CA 3.44Å; L46-T58 HydrophobicContact CD2-CG2 3.77Å; L46-T58 WeakPolarHBondContact CD2-OG1 3.37Å
59R91Very high91.4Very high18 Ų1842 Ų427%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-120.9147.1174.8-58.5-60.6-177.2-169.15.7110.1K44 L45 V57 F93 D115 Q117K44-R59 CarbonylContact C-O 3.52Å; K44-R59 WeakPolarHBondContact CA-O 3.21Å; L45-R59 HydrophobicContact CB-CB 4.28Å; L45-R59 PolarHBondContact N-O 3.36Å; L45-R59 PolarHBondContact O-N 3.04Å; V57-R59 HydrophobicContact CG1-CG 3.99Å; R59-F93 HydrophobicContact CB-CD1 4.23Å; R59-F93 HydrophobicContact CB-CE1 3.74Å; R59-F93 HydrophobicContact CB-CZ 4.08Å; R59-F93 HydrophobicContact CG-CD1 3.95Å; R59-F93 HydrophobicContact CG-CE1 3.96Å; R59-D115 PolarHBondContact NH1-O 3.02Å; R59-Q117 VanDerWaalsContact NH1-CB 3.32Å
60T90.8Very high91.6Very high75 Ų7542.3 Ų42.346%0.4624%0.237SC..EExtended strand (participates in β ladder)trans-103.1123.9176.2-49.70000109.3D116T60-D116 PolarHBondContact OG1-OD1 2.91Å
61C89.4Confident91.9Very high10 Ų1040.2 Ų40.27%0.06823%0.228CC..  trans-105.5162.8176.2-57.90000110.1G43 L65 F93G43-C61 WeakPolarHBondContact O-CA 3.44Å; G43-C61 VanDerWaalsContact O-CB 3.28Å; G43-C61 WeakPolarHBondContact O-CB 3.19Å; G43-C61 PolarHBondContact O-N 2.96Å; C61-L65 HydrophobicContact CB-CD1 4.4Å; C61-L65 HydrophobicContact CB-CD2 3.78Å; C61-L65 HydrophobicContact CB-CG 4.37Å; C61-F93 VanDerWaalsContact SG-CE2 3.59Å; C61-F93 WeakPolarHBondContact SG-CZ 3.4Å
62V88.9Confident92.2Very high87 Ų8738.4 Ų38.453%0.52722%0.218SC..SBendtrans-87121172.9-176.80000109.3W89 H91V62-W89 HydrophobicContact CB-CG 4.31Å; V62-W89 HydrophobicContact CG1-CG 4.3Å; V62-H91 PolarHBondContact N-NE2 3.36Å; V62-H91 PolarHBondContact O-CE1 3.32Å
63G88.2Confident92.3Very high23 Ų2334.1 Ų34.124%0.23720%0.198CC..SBendtrans91-179.7175.100000114.6G43 E87G43-G63 WeakPolarHBondContact CA-O 3.25Å; G63-E87 WeakPolarHBondContact CA-OE2 3.4Å
64M93.4Very high92.5Very high82 Ų8233.1 Ų33.140%0.40419%0.187SC..  trans-83119.3-175.8-55.1-177.8-76.400110.4T41 T66 G85 A86 E87T41-M64 VanDerWaalsContact O-CG 3.29Å; T41-M64 WeakPolarHBondContact O-CG 3.46Å; M64-T66 PolarHBondContact O-N 3.37Å; M64-G85 CarbonylContact O-C 3.57Å; M64-G85 WeakPolarHBondContact O-CA 3.26Å; M64-A86 HydrophobicContact CB-CB 4.35Å; M64-A86 HydrophobicContact CE-CB 4.06Å; M64-A86 PolarHBondContact O-N 3.18Å; M64-E87 PolarHBondContact N-OE1 3.27Å; M64-E87 PolarHBondContact N-OE2 2.88Å
65L94.9Very high92.4Very high0 Ų029.2 Ų29.20%017%0.172CC..EExtended strand (participates in β ladder)trans-73.5117.9-177.1-62.4179.6000111.3F19 D40 L45 C61 A83F19-L65 VanDerWaalsContact CD2-O 3.32Å; F19-L65 WeakPolarHBondContact CD2-O 3.26Å; D40-L65 WeakPolarHBondContact O-CB 3.28Å; D40-L65 PolarHBondContact O-N 3.36Å; L45-L65 HydrophobicContact CB-CD1 4.1Å; L45-L65 HydrophobicContact CD1-CD1 4.28Å; C61-L65 HydrophobicContact CB-CD1 4.4Å; C61-L65 HydrophobicContact CB-CD2 3.78Å; C61-L65 HydrophobicContact CB-CG 4.37Å; L65-A83 HydrophobicContact CD1-CB 4.33Å; L65-A83 HydrophobicContact CD2-CB 3.9Å
66T94.9Very high92.3Very high11 Ų1132.2 Ų32.27%0.06718%0.181CC..EExtended strand (participates in β ladder)trans-95.1-31.5179.258.30000112.8F19 A22 M64 V84 A86 T129F19-T66 HydrophobicContact CD2-CG2 4.08Å; F19-T66 HydrophobicContact CE2-CG2 3.98Å; F19-T66 HydrophobicContact CZ-CG2 4.47Å; A22-T66 PolarHBondContact N-O 3.25Å; M64-T66 PolarHBondContact O-N 3.37Å; T66-V84 PolarHBondContact N-O 3.15Å; T66-V84 PolarHBondContact OG1-O 2.93Å; T66-A86 HydrophobicContact CG2-CB 3.62Å; T66-T129 VanDerWaalsContact CB-O 3.26Å; T66-T129 WeakPolarHBondContact CB-O 3.37Å; T66-T129 PolarHBondContact OG1-O 2.6Å
67C94.4Very high92.1Very high1 Ų134 Ų341%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-151.6149.9-177.654.20000112.5H21 V84 T129 I132H21-C67 HydrophobicContact CB-CB 4.14Å; H21-C67 VanDerWaalsContact O-CA 3.3Å; H21-C67 WeakPolarHBondContact O-CA 3.3Å; C67-V84 PolarHBondContact O-N 3.21Å; C67-T129 WeakPolarHBondContact SG-CG2 3.3Å; C67-I132 HydrophobicContact CB-CD1 4.34Å; C67-I132 HydrophobicContact CB-CG1 4.05Å; C67-I132 VanDerWaalsContact SG-CG2 3.59Å
68V96.4Very high92.2Very high7 Ų738 Ų384%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-136.9147.3179.8-59.10000109.8H21 A22 C24 I37 L45 V82 A83H21-V68 PolarHBondContact O-N 2.78Å; A22-V68 WeakPolarHBondContact O-CG2 3.16Å; C24-V68 HydrophobicContact CB-CG2 4.27Å; I37-V68 HydrophobicContact CG2-CB 4.26Å; I37-V68 HydrophobicContact CG2-CG2 4.28Å; L45-V68 HydrophobicContact CD1-CG1 3.72Å; V68-V82 VanDerWaalsContact CA-O 3.26Å; V68-V82 WeakPolarHBondContact CA-O 3.25Å; V68-A83 HydrophobicContact CG1-CB 4.32Å
69A96.2Very high92.3Very high14 Ų1437.2 Ų37.212%0.11622%0.218CC..EExtended strand (participates in β ladder)trans-150.6158.6177.600000110.2V82 I132 I134A69-V82 PolarHBondContact N-O 3.34Å; A69-V82 PolarHBondContact O-N 2.99Å; A69-I132 HydrophobicContact CB-CD1 3.42Å; A69-I132 VanDerWaalsContact CB-CD1 3.42Å; A69-I132 HydrophobicContact CB-CG1 3.85Å; A69-I134 HydrophobicContact CB-CD1 3.71Å; A69-I134 HydrophobicContact CB-CG1 4.34Å
70V96.1Very high92.4Very high30 Ų3036.3 Ų36.318%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-124.1132.3172.6179.30000107.8D27 A28 I37 N79 L80 V81D27-V70 WeakPolarHBondContact O-CG1 3.27Å; A28-V70 HydrophobicContact CB-CG1 4.5Å; A28-V70 HydrophobicContact CB-CG2 4.42Å; I37-V70 HydrophobicContact CD1-CG2 3.5Å; I37-V70 HydrophobicContact CG1-CG2 3.88Å; V70-N79 HydrophobicContact CG1-CB 3.93Å; V70-L80 WeakPolarHBondContact CA-O 3.49Å; V70-V81 HydrophobicContact CG2-CG2 4.17Å
71G93.8Very high92.6Very high10 Ų1032.8 Ų32.810%0.10319%0.193CC..EExtended strand (participates in β ladder)trans173.9173.4176.300000113.5V73 L80G71-V73 VanDerWaalsContact C-N 3.32Å; G71-V73 PolarHBondContact O-N 3.28Å; G71-L80 PolarHBondContact N-O 3.32Å; G71-L80 VanDerWaalsContact N-O 3.17Å; G71-L80 PolarHBondContact O-N 3.19Å
72D93.1Very high92.9Very high27 Ų2732.3 Ų32.314%0.14419%0.189CC..  trans-81.971.8-179.2-175.719.9000112.3R74 N75 K76 G77 K78D72-R74 PolarHBondContact O-N 2.89Å; D72-N75 PolarHBondContact O-N 2.99Å; D72-N75 WeakPolarHBondContact OD1-CA 3.31Å; D72-N75 PolarHBondContact OD1-N 3.3Å; D72-N75 WeakPolarHBondContact OD2-CA 3.5Å; D72-K76 PolarHBondContact OD1-N 3.4Å; D72-K76 PolarHBondContact OD2-N 2.81Å; D72-K76 VanDerWaalsContact OD2-N 3.11Å; D72-G77 VanDerWaalsContact OD2-CA 3.27Å; D72-G77 WeakPolarHBondContact OD2-CA 3.3Å; D72-G77 PolarHBondContact OD2-N 3.16Å; D72-K78 WeakPolarHBondContact CA-O 3.15Å
73V92.1Very high93.2Very high3 Ų328.1 Ų28.12%0.01816%0.164CC..THydrogen-bonded Turntrans-63.9-28.5180-178.60000112.4G71 V82 L92 I134 W159 L173G71-V73 VanDerWaalsContact C-N 3.32Å; G71-V73 PolarHBondContact O-N 3.28Å; V73-V82 HydrophobicContact CG2-CG2 3.56Å; V73-L92 HydrophobicContact CB-CD1 4.5Å; V73-L92 HydrophobicContact CG2-CD1 4.44Å; V73-I134 HydrophobicContact CG2-CD1 3.62Å; V73-I134 HydrophobicContact CG2-CG1 4.19Å; V73-I134 HydrophobicContact CG2-CG2 4.23Å; V73-W159 HydrophobicContact CG1-CB 4.47Å; V73-W159 HydrophobicContact CG1-CE3 4.45Å; V73-W159 WeakPolarHBondContact O-CB 3.39Å; V73-L173 HydrophobicContact CG1-CD2 4.32Å
74R91.2Very high93.6Very high26 Ų2627 Ų2710%0.09815%0.153CC..THydrogen-bonded Turntrans-90-4.4-177-67.1-164.6-63.9-169.7-14.7113.7D72 K76 L80 D94 W159D72-R74 PolarHBondContact O-N 2.89Å; R74-K76 VanDerWaalsContact C-N 3.26Å; R74-K76 HydrophobicContact CB-CD 4.43Å; R74-K76 HydrophobicContact CB-CG 4.29Å; R74-K76 PolarHBondContact O-N 3.17Å; R74-L80 HydrophobicContact CG-CD1 3.92Å; R74-D94 IonicContact NH2-OD2 3.3Å; R74-W159 HydrophobicContact CG-CD2 4.08Å; R74-W159 HydrophobicContact CG-CG 4.19Å; R74-W159 HydrophobicContact CG-CZ2 4.22Å
75N90.8Very high93.6Very high45 Ų4523.1 Ų23.124%0.24113%0.134CC..SBendtrans56.939.7-176.3-60.2-60.4000112.9D72 R142 C143D72-N75 PolarHBondContact O-N 2.99Å; D72-N75 WeakPolarHBondContact OD1-CA 3.31Å; D72-N75 PolarHBondContact OD1-N 3.3Å; D72-N75 WeakPolarHBondContact OD2-CA 3.5Å; N75-R142 HydrophobicContact CB-CB 4.43Å; N75-R142 HydrophobicContact CB-CG 4.3Å; N75-R142 VanDerWaalsContact OD1-CA 3.28Å; N75-R142 WeakPolarHBondContact OD1-CA 3.3Å; N75-R142 WeakPolarHBondContact OD1-CB 3.49Å; N75-C143 PolarHBondContact ND2-O 3.42Å; N75-C143 PolarHBondContact OD1-N 3.2Å
76K89.2Confident93.5Very high102 Ų10224 Ų2444%0.44314%0.14SC..SBendtrans-113.38.3-179.1-74.8-173.6167.6173.20113.1D72 R74 K78 E161D72-K76 PolarHBondContact OD1-N 3.4Å; D72-K76 PolarHBondContact OD2-N 2.81Å; D72-K76 VanDerWaalsContact OD2-N 3.11Å; R74-K76 VanDerWaalsContact C-N 3.26Å; R74-K76 HydrophobicContact CB-CD 4.43Å; R74-K76 HydrophobicContact CB-CG 4.29Å; R74-K76 PolarHBondContact O-N 3.17Å; K76-K78 VanDerWaalsContact C-N 3.28Å; K76-E161 VanDerWaalsContact CE-CD 3.45Å; K76-E161 WeakPolarHBondContact CE-OE1 3.39Å; K76-E161 VanDerWaalsContact CE-OE2 3.23Å; K76-E161 WeakPolarHBondContact CE-OE2 3.4Å; K76-E161 IonicContact NZ-OE1 3.01Å; K76-E161 PolarHBondContact NZ-OE1 3.15Å; K76-E161 IonicContact NZ-OE2 3.01Å; K76-E161 PolarHBondContact NZ-OE2 3.47Å
77G87.7Confident93.4Very high65 Ų6526.9 Ų26.967%0.6715%0.153SC*.SBendtrans69.824.2-173.800000113.2D72D72-G77 VanDerWaalsContact OD2-CA 3.27Å; D72-G77 WeakPolarHBondContact OD2-CA 3.3Å; D72-G77 PolarHBondContact OD2-N 3.16Å
78K91.3Very high93.2Very high99 Ų9926.8 Ų26.843%0.4315%0.153SC..  trans-128.9125.8178.1-69.1-168.9178.3-168.70111N30 D72 K76N30-K78 WeakPolarHBondContact OD1-CA 3.4Å; D72-K78 WeakPolarHBondContact CA-O 3.15Å; K76-K78 VanDerWaalsContact C-N 3.28Å
79N93.6Very high93.1Very high46 Ų4630.9 Ų30.925%0.24617%0.168CC..  trans-70.5136.7173.9-65.8-27.7000110.6D27 N30 V70D27-N79 WeakPolarHBondContact O-CB 3.35Å; D27-N79 PolarHBondContact O-ND2 3.48Å; D27-N79 VanDerWaalsContact O-ND2 3.08Å; N30-N79 PolarHBondContact ND2-O 3.04Å; N30-N79 PolarHBondContact OD1-N 3.38Å; V70-N79 HydrophobicContact CG1-CB 3.93Å
80L93.9Very high93Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-126.3152.4172.8-63.3174.7000109.2V70 G71 R74 L92 D94V70-L80 WeakPolarHBondContact CA-O 3.49Å; G71-L80 PolarHBondContact N-O 3.32Å; G71-L80 VanDerWaalsContact N-O 3.17Å; G71-L80 PolarHBondContact O-N 3.19Å; R74-L80 HydrophobicContact CG-CD1 3.92Å; L80-L92 HydrophobicContact CB-CD1 3.61Å; L80-L92 HydrophobicContact CB-CG 4.17Å; L80-L92 HydrophobicContact CD1-CD1 3.89Å; L80-L92 HydrophobicContact CD1-CD2 3.64Å; L80-L92 HydrophobicContact CD1-CG 3.8Å; L80-L92 HydrophobicContact CG-CD1 4.41Å; L80-D94 HydrophobicContact CD2-CB 3.65Å
81V95.4Very high92.9Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-88.9123.3175.8-1730000109.2A28 I37 L45 V70 F93 L95A28-V81 HydrophobicContact CB-CG2 3.64Å; I37-V81 HydrophobicContact CG1-CG1 4.39Å; I37-V81 HydrophobicContact CG2-CG1 3.79Å; L45-V81 HydrophobicContact CD2-CG1 3.86Å; V70-V81 HydrophobicContact CG2-CG2 4.17Å; V81-F93 HydrophobicContact CB-CB 4.28Å; V81-F93 PolarHBondContact N-O 3.43Å; V81-F93 PolarHBondContact O-N 3.41Å; V81-L95 HydrophobicContact CG2-CD1 3.68Å; V81-L95 HydrophobicContact CG2-CG 4.15Å
82V95.5Very high92.9Very high0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-101.8132175175.30000109.3V68 A69 V73 V84 F90 H91 L92 I132 I134V68-V82 VanDerWaalsContact CA-O 3.26Å; V68-V82 WeakPolarHBondContact CA-O 3.25Å; A69-V82 PolarHBondContact N-O 3.34Å; A69-V82 PolarHBondContact O-N 2.99Å; V73-V82 HydrophobicContact CG2-CG2 3.56Å; V82-V84 HydrophobicContact CG1-CG2 4.08Å; V82-F90 HydrophobicContact CB-CE2 4.38Å; V82-F90 HydrophobicContact CG1-CD2 3.97Å; V82-F90 HydrophobicContact CG1-CE2 3.33Å; V82-F90 HydrophobicContact CG1-CZ 4.01Å; V82-F90 HydrophobicContact CG2-CE2 4.17Å; V82-F90 HydrophobicContact CG2-CZ 4.11Å; V82-H91 WeakPolarHBondContact CA-O 3.33Å; V82-L92 HydrophobicContact CG2-CD1 3.77Å; V82-I132 HydrophobicContact CB-CD1 4.45Å; V82-I132 HydrophobicContact CG1-CD1 3.9Å; V82-I134 HydrophobicContact CB-CD1 4.36Å; V82-I134 HydrophobicContact CG2-CD1 3.81Å
83A95.6Very high92.8Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-131.9130170.800000110.1L45 L65 V68 H91 F93L45-A83 HydrophobicContact CD1-CB 4.13Å; L45-A83 HydrophobicContact CD2-CB 4.38Å; L65-A83 HydrophobicContact CD1-CB 4.33Å; L65-A83 HydrophobicContact CD2-CB 3.9Å; V68-A83 HydrophobicContact CG1-CB 4.32Å; A83-H91 HydrophobicContact CB-CB 4.46Å; A83-H91 PolarHBondContact N-O 2.94Å; A83-H91 WeakPolarHBondContact O-CB 3.49Å; A83-H91 PolarHBondContact O-N 3.26Å; A83-H91 PolarHBondContact O-ND1 3.45Å; A83-F93 HydrophobicContact CB-CE2 4.25Å
84V95.5Very high92.7Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-120131.7-179.6-175.60000110.6T66 C67 V82 W89 F90 I125 T129 I132T66-V84 PolarHBondContact N-O 3.15Å; T66-V84 PolarHBondContact OG1-O 2.93Å; C67-V84 PolarHBondContact O-N 3.21Å; V82-V84 HydrophobicContact CG1-CG2 4.08Å; V84-W89 WeakPolarHBondContact CA-O 3.23Å; V84-F90 HydrophobicContact CG2-CD2 3.91Å; V84-I125 HydrophobicContact CG1-CD1 3.8Å; V84-I125 HydrophobicContact CG1-CG1 4.42Å; V84-T129 HydrophobicContact CB-CG2 4.4Å; V84-T129 HydrophobicContact CG1-CG2 3.91Å; V84-I132 HydrophobicContact CG2-CD1 4.49Å; V84-I132 HydrophobicContact CG2-CG2 4.24Å
85G93.8Very high92.6Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-87.1155.5176.300000113.6M64 E87 G88 W89M64-G85 CarbonylContact O-C 3.57Å; M64-G85 WeakPolarHBondContact O-CA 3.26Å; G85-E87 PolarHBondContact O-N 3.23Å; G85-G88 PolarHBondContact O-N 2.75Å; G85-W89 PolarHBondContact N-O 3.49Å
86A92.6Very high92.1Very high17 Ų1728 Ų2814%0.1415%0.15CC..THydrogen-bonded Turntrans-57.5-29.4173.700000112.4M64 T66 G88 N128M64-A86 HydrophobicContact CB-CB 4.35Å; M64-A86 HydrophobicContact CE-CB 4.06Å; M64-A86 PolarHBondContact O-N 3.18Å; T66-A86 HydrophobicContact CG2-CB 3.62Å; A86-G88 PolarHBondContact O-N 3.21Å; A86-N128 PolarHBondContact O-N 2.97Å
87E92.6Very high91.1Very high72 Ų7225.9 Ų25.934%0.33615%0.152SC..THydrogen-bonded Turntrans-77.7-8.3179.4-57.780.8178.500112.9G63 M64 G85 H124G63-E87 WeakPolarHBondContact CA-OE2 3.4Å; M64-E87 PolarHBondContact N-OE1 3.27Å; M64-E87 PolarHBondContact N-OE2 2.88Å; G85-E87 PolarHBondContact O-N 3.23Å; E87-H124 PolarHBondContact O-NE2 3.04Å
88G91Very high90.2Very high0 Ų023.2 Ų23.20%012%0.123CC..SBendtrans9411.2-179.100000114.3G85 A86 F90 I125G85-G88 PolarHBondContact O-N 2.75Å; A86-G88 PolarHBondContact O-N 3.21Å; G88-F90 PolarHBondContact O-N 2.92Å; G88-I125 WeakPolarHBondContact CA-O 3.24Å; G88-I125 VanDerWaalsContact O-CG1 3.24Å; G88-I125 WeakPolarHBondContact O-CG1 3.39Å; G88-I125 PolarHBondContact O-N 2.88Å; G88-I125 VanDerWaalsContact O-O 3.12Å
89W94.3Very high88.8Confident93 Ų9320.7 Ų20.735%0.35212%0.118SC..EExtended strand (participates in β ladder)trans-76.8115.1172-69.7108.6000110.9V62 V84 G85 H91 H124V62-W89 HydrophobicContact CB-CG 4.31Å; V62-W89 HydrophobicContact CG1-CG 4.3Å; V84-W89 WeakPolarHBondContact CA-O 3.23Å; G85-W89 PolarHBondContact N-O 3.49Å; W89-H91 WeakPolarHBondContact CB-CE1 3.1Å; W89-H91 PolarHBondContact O-ND1 2.87Å; W89-H124 HydrophobicContact CZ3-CB 4.35Å
90F94.1Very high87Confident0 Ų021.3 Ų21.30%013%0.13CC..EExtended strand (participates in β ladder)trans-89.4128.1169.8174.3-89.2000109.4V82 V84 G88 L92 F121 T122 Q123 I125 L145 L173V82-F90 HydrophobicContact CB-CE2 4.38Å; V82-F90 HydrophobicContact CG1-CD2 3.97Å; V82-F90 HydrophobicContact CG1-CE2 3.33Å; V82-F90 HydrophobicContact CG1-CZ 4.01Å; V82-F90 HydrophobicContact CG2-CE2 4.17Å; V82-F90 HydrophobicContact CG2-CZ 4.11Å; V84-F90 HydrophobicContact CG2-CD2 3.91Å; G88-F90 PolarHBondContact O-N 2.92Å; F90-L92 HydrophobicContact CE1-CB 4.08Å; F90-L92 HydrophobicContact CZ-CD1 4.3Å; F90-F121 HydrophobicContact CD1-CD1 4.2Å; F90-F121 HydrophobicContact CD1-CE1 4.38Å; F90-F121 HydrophobicContact CE1-CD1 4.09Å; F90-F121 HydrophobicContact CE1-CE1 4.47Å; F90-T122 VanDerWaalsContact O-CA 3.24Å; F90-T122 WeakPolarHBondContact O-CA 3.39Å; F90-Q123 VanDerWaalsContact CB-O 3.31Å; F90-Q123 WeakPolarHBondContact CB-O 3.43Å; F90-Q123 PolarHBondContact N-O 2.8Å; F90-Q123 PolarHBondContact O-N 2.89Å; F90-I125 HydrophobicContact CB-CD1 4.46Å; F90-I125 HydrophobicContact CB-CG1 4.36Å; F90-I125 HydrophobicContact CB-CG2 4.16Å; F90-L145 HydrophobicContact CD2-CD2 3.89Å; F90-L145 HydrophobicContact CE2-CD1 4.49Å; F90-L145 HydrophobicContact CE2-CD2 3.4Å; F90-L145 HydrophobicContact CZ-CD2 4.19Å; F90-L173 HydrophobicContact CD1-CD1 3.68Å; F90-L173 HydrophobicContact CD2-CD1 3.86Å; F90-L173 HydrophobicContact CE1-CD1 3.67Å; F90-L173 HydrophobicContact CE1-CG 4.46Å; F90-L173 HydrophobicContact CE2-CD1 3.83Å; F90-L173 HydrophobicContact CG-CD1 3.79Å; F90-L173 HydrophobicContact CZ-CD1 3.76Å
91H94.5Very high85.1Confident1 Ų124.9 Ų24.91%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-124.1133.5179.1-52.884.3000109.9V62 V82 A83 W89 F93 P119V62-H91 PolarHBondContact N-NE2 3.36Å; V62-H91 PolarHBondContact O-CE1 3.32Å; V82-H91 WeakPolarHBondContact CA-O 3.33Å; A83-H91 HydrophobicContact CB-CB 4.46Å; A83-H91 PolarHBondContact N-O 2.94Å; A83-H91 WeakPolarHBondContact O-CB 3.49Å; A83-H91 PolarHBondContact O-N 3.26Å; A83-H91 PolarHBondContact O-ND1 3.45Å; W89-H91 WeakPolarHBondContact CB-CE1 3.1Å; W89-H91 PolarHBondContact O-ND1 2.87Å; H91-F93 HydrophobicContact CB-CD2 4.43Å; H91-F93 HydrophobicContact CB-CE2 3.61Å; H91-F93 HydrophobicContact CB-CZ 4.03Å; H91-P119 HydrophobicContact CB-CB 4.15Å
92L93.1Very high83Confident0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-114.9133.1174.9-165.263.2000109.1V73 L80 V82 F90 P119 F120 F121 W159V73-L92 HydrophobicContact CB-CD1 4.5Å; V73-L92 HydrophobicContact CG2-CD1 4.44Å; L80-L92 HydrophobicContact CB-CD1 3.61Å; L80-L92 HydrophobicContact CB-CG 4.17Å; L80-L92 HydrophobicContact CD1-CD1 3.89Å; L80-L92 HydrophobicContact CD1-CD2 3.64Å; L80-L92 HydrophobicContact CD1-CG 3.8Å; L80-L92 HydrophobicContact CG-CD1 4.41Å; V82-L92 HydrophobicContact CG2-CD1 3.77Å; F90-L92 HydrophobicContact CE1-CB 4.08Å; F90-L92 HydrophobicContact CZ-CD1 4.3Å; L92-P119 CarbonylContact O-C 3.56Å; L92-F120 HydrophobicContact CD2-CD1 4.21Å; L92-F120 WeakPolarHBondContact O-CA 3.41Å; L92-F120 WeakPolarHBondContact O-CB 3.4Å; L92-F120 PolarHBondContact O-N 2.77Å; L92-F121 HydrophobicContact CB-CB 4Å; L92-F121 HydrophobicContact CD2-CB 4.26Å; L92-F121 PolarHBondContact N-O 3.18Å; L92-F121 PolarHBondContact O-N 2.86Å; L92-W159 HydrophobicContact CD2-CH2 4.26Å; L92-W159 HydrophobicContact CD2-CZ3 4.27Å
93F91.8Very high80.5Confident5 Ų534.5 Ų34.52%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-124.3131.6177.8-61-86.7000110.7L45 R59 C61 V81 A83 H91 L95 P119L45-F93 HydrophobicContact CD2-CD2 3.56Å; L45-F93 HydrophobicContact CD2-CE2 3.69Å; L45-F93 HydrophobicContact CD2-CG 4.25Å; L45-F93 HydrophobicContact CD2-CZ 4.47Å; R59-F93 HydrophobicContact CB-CD1 4.23Å; R59-F93 HydrophobicContact CB-CE1 3.74Å; R59-F93 HydrophobicContact CB-CZ 4.08Å; R59-F93 HydrophobicContact CG-CD1 3.95Å; R59-F93 HydrophobicContact CG-CE1 3.96Å; C61-F93 VanDerWaalsContact SG-CE2 3.59Å; C61-F93 WeakPolarHBondContact SG-CZ 3.4Å; V81-F93 HydrophobicContact CB-CB 4.28Å; V81-F93 PolarHBondContact N-O 3.43Å; V81-F93 PolarHBondContact O-N 3.41Å; A83-F93 HydrophobicContact CB-CE2 4.25Å; H91-F93 HydrophobicContact CB-CD2 4.43Å; H91-F93 HydrophobicContact CB-CE2 3.61Å; H91-F93 HydrophobicContact CB-CZ 4.03Å; F93-L95 HydrophobicContact CB-CD2 4.4Å; F93-P119 HydrophobicContact CD1-CB 4.37Å; F93-P119 VanDerWaalsContact CE1-CA 3.49Å; F93-P119 HydrophobicContact CE1-CB 3.81Å; F93-P119 HydrophobicContact CZ-CB 3.9Å
94D90.4Very high77.7Confident41 Ų4141.5 Ų41.522%0.21925%0.245CC..  trans-100.8111.8168.8-169.4-22.5000108.4R74 L80 T96 F120R74-D94 IonicContact NH2-OD2 3.3Å; L80-D94 HydrophobicContact CD2-CB 3.65Å; D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 2.61Å; D94-T96 PolarHBondContact OD1-OG1 3.45Å; D94-F120 HydrophobicContact CB-CD2 4.4Å
95L87.3Confident75.1Confident2 Ų245.3 Ų45.31%0.0127%0.272CS..  trans-94.91.3-178.9-58.8-176.2000113.1A28 D29 V47 V57 V81 F93 A97 A98A28-L95 HydrophobicContact CB-CD1 4.04Å; D29-L95 HydrophobicContact CB-CB 4.43Å; V47-L95 HydrophobicContact CG1-CD1 4.26Å; V47-L95 HydrophobicContact CG2-CD1 3.8Å; V57-L95 HydrophobicContact CG1-CD2 4.26Å; V81-L95 HydrophobicContact CG2-CD1 3.68Å; V81-L95 HydrophobicContact CG2-CG 4.15Å; F93-L95 HydrophobicContact CB-CD2 4.4Å; L95-A97 PolarHBondContact O-N 3.46Å; L95-A97 VanDerWaalsContact O-N 3.16Å; L95-A98 WeakPolarHBondContact O-CB 3.49Å; L95-A98 PolarHBondContact O-N 2.93Å
96T81.3Confident72.3Confident46 Ų4651.1 Ų51.128%0.28231%0.312SS..Hα-helixtrans-58.7-31.5178.9-42.80000112D94 S99D94-T96 WeakPolarHBondContact OD1-CB 3.45Å; D94-T96 PolarHBondContact OD1-N 2.61Å; D94-T96 PolarHBondContact OD1-OG1 3.45Å; T96-S99 PolarHBondContact O-OG 2.77Å
97A68.2Low69.4Low57 Ų5755.3 Ų55.347%0.47134%0.341SS..Hα-helixtrans-76.3-25.1177.800000113.2L95 A100 S101L95-A97 PolarHBondContact O-N 3.46Å; L95-A97 VanDerWaalsContact O-N 3.16Å; A97-A100 PolarHBondContact O-N 3.36Å; A97-S101 PolarHBondContact O-N 3.39Å
98A68.5Low66.7Low9 Ų960.4 Ų60.47%0.07437%0.365CS..Hα-helixtrans-70.6-34.3-178.900000111.5W56 V57 L95 S101W56-A98 HydrophobicContact CH2-CB 3.96Å; W56-A98 HydrophobicContact CZ2-CB 4.02Å; V57-A98 HydrophobicContact CG2-CB 3.96Å; L95-A98 WeakPolarHBondContact O-CB 3.49Å; L95-A98 PolarHBondContact O-N 2.93Å; A98-S101 PolarHBondContact O-N 2.86Å; A98-S101 PolarHBondContact O-OG 2.9Å
99S61.3Low63.8Low46 Ų4668.3 Ų68.332%0.32240%0.401SS..Hα-helixtrans-66.5-40.417562.30000112.4T96 S101 K102T96-S99 PolarHBondContact O-OG 2.77Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.47Å; S99-K102 PolarHBondContact O-N 2.73Å
100A57.2Low60.6Low59 Ų5971.8 Ų71.849%0.48842%0.421SS..Hα-helixtrans-64.9-30.8178.100000113.7A97 K102 S103A97-A100 PolarHBondContact O-N 3.36Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3.12Å; A100-S103 PolarHBondContact O-OG 2.7Å
101S53Low57.9Low75 Ų7581.6 Ų81.652%0.52446%0.464SS..Hα-helixtrans-72.4-20.9-177.670.40000114.6A97 A98 S99A97-S101 PolarHBondContact O-N 3.39Å; A98-S101 PolarHBondContact O-N 2.86Å; A98-S101 PolarHBondContact O-OG 2.9Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.47Å
102K51.6Low54.8Low110 Ų11087.4 Ų87.448%0.47850%0.5SS..Hα-helixtrans-96.3-15.9-179.5-80.2-175.7179.6173.70114.3S99 A100 D104S99-K102 PolarHBondContact O-N 2.73Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3.12Å; K102-D104 VanDerWaalsContact C-N 3.25Å; K102-D104 PolarHBondContact O-N 2.71Å
103S43.2Very low52.1Low91 Ų9193.1 Ų93.164%0.63654%0.538SS*.Hα-helixtrans-70.6-21177.460.90000113.5A100A100-S103 PolarHBondContact O-OG 2.7Å
104D37.4Very low49.3Very low147 Ų14797.7 Ų97.779%0.78657%0.571SS**THydrogen-bonded Turntrans-102-2.3-174.5-75.9-6.2000114.9K102K102-D104 VanDerWaalsContact C-N 3.25Å; K102-D104 PolarHBondContact O-N 2.71Å
105S39.5Very low46.9Very low80 Ų80101.8 Ų101.856%0.55959%0.593SS**  trans-110.962.7-17549.10000113.8S107S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.7Å
106S35.6Very low45Very low122 Ų122107 Ų10785%0.85362%0.621SS**  trans-8943.4165.757.10000113
107S32.3Very low44Very low105 Ų105109 Ų10973%0.73463%0.627SS**SBendtrans-144.1133.1168.556.40000112.3S105 H109S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.7Å; S107-H109 PolarHBondContact O-N 3.28Å
108Q35.9Very low43.9Very low180 Ų180116.9 Ų116.984%0.84164%0.644SS**  trans-52.7126.5-177.6-63.5165.4-8.500111.5
109H28.7Very low44.4Very low166 Ų166117.9 Ų117.977%0.76965%0.65SS**  171.2133.2126.6-99.8-83.6000111.7S107S107-H109 PolarHBondContact O-N 3.28Å
110E26.9Very low45.4Very low166 Ų166119.4 Ų119.478%0.77665%0.651SS**  trans51128.1155.2-65.4-174.4160.200121.1V112E110-V112 PolarHBondContact O-N 3.15Å
111F39.1Very low46.8Very low206 Ų206118.2 Ų118.290%0.90464%0.635SS**  trans-43100163.6-101.9-103.8000111.5
112V28.1Very low48.6Very low123 Ų123117.8 Ų117.875%0.74563%0.629SS**  trans-115.2116.5158.1-179.40000106.4E110 S114E110-V112 PolarHBondContact O-N 3.15Å; V112-S114 VanDerWaalsContact C-N 3.33Å; V112-S114 PolarHBondContact O-N 3Å
113C36.6Very low50.5Low120 Ų120113.9 Ų113.981%0.81161%0.613SS**  trans-56.794.1171.2-167.20000108D115C113-D115 PolarHBondContact O-N 3.38Å
114S33.3Very low52.9Low101 Ų101114.8 Ų114.871%0.70661%0.607SS**  trans-7794.4-179.565.80000109V112V112-S114 VanDerWaalsContact C-N 3.33Å; V112-S114 PolarHBondContact O-N 3Å
115D40.6Very low55.5Low126 Ų126108 Ų10867%0.67457%0.57SS**  trans48.3113.9162.3-101.7-21.2000117R59 C113 Q117R59-D115 PolarHBondContact NH1-O 3.02Å; C113-D115 PolarHBondContact O-N 3.38Å; D115-Q117 HydrophobicContact CB-CG 4.42Å; D115-Q117 PolarHBondContact O-N 3.33Å
116D47.5Very low58Low112 Ų112105.9 Ų105.960%0.59955%0.554SS**  trans-50.475149.5-84.8-44.2000109.4T60 R118T60-D116 PolarHBondContact OG1-OD1 2.91Å; D116-R118 PolarHBondContact O-N 2.84Å
117Q59.1Low60.8Low89 Ų89102 Ų10242%0.41653%0.53SS..  trans-63.3116.5170.2-67-174.2-27.700106.2R59 D115R59-Q117 VanDerWaalsContact NH1-CB 3.32Å; D115-Q117 HydrophobicContact CB-CG 4.42Å; D115-Q117 PolarHBondContact O-N 3.33Å
118R66.9Low63.6Low222 Ų222101.5 Ų101.584%0.83852%0.519SS*.  trans-55.3148.8171.5-70.5-179.5-179.3171.40.6108.6D116 F120D116-R118 PolarHBondContact O-N 2.84Å; R118-F120 PolarHBondContact O-N 3.4Å
119P78.4Confident66.4Low30 Ų3093.1 Ų93.120%0.19548%0.48CS..  trans-44.6137.1169.323.6-38.8000110.7H91 L92 F93 F121 T122H91-P119 HydrophobicContact CB-CB 4.15Å; L92-P119 CarbonylContact O-C 3.56Å; F93-P119 HydrophobicContact CD1-CB 4.37Å; F93-P119 VanDerWaalsContact CE1-CA 3.49Å; F93-P119 HydrophobicContact CE1-CB 3.81Å; F93-P119 HydrophobicContact CZ-CB 3.9Å; P119-F121 PolarHBondContact O-N 2.8Å; P119-T122 HydrophobicContact CB-CG2 3.63Å; P119-T122 HydrophobicContact CG-CG2 3.12Å
120F82.3Confident69.5Low77 Ų7787.5 Ų87.534%0.33845%0.454SS..SBendtrans-55.9-38.7175.6176.6-92.2000110.7L92 D94 R118L92-F120 HydrophobicContact CD2-CD1 4.21Å; L92-F120 WeakPolarHBondContact O-CA 3.41Å; L92-F120 WeakPolarHBondContact O-CB 3.4Å; L92-F120 PolarHBondContact O-N 2.77Å; D94-F120 HydrophobicContact CB-CD2 4.4Å; R118-F120 PolarHBondContact O-N 3.4Å
121F87.1Confident72.7Confident34 Ų3480 Ų8015%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-145.8144.6175.1177.6-100.4000110.8F90 L92 P119 Q123 W159 G171F90-F121 HydrophobicContact CD1-CD1 4.2Å; F90-F121 HydrophobicContact CD1-CE1 4.38Å; F90-F121 HydrophobicContact CE1-CD1 4.09Å; F90-F121 HydrophobicContact CE1-CE1 4.47Å; L92-F121 HydrophobicContact CB-CB 4Å; L92-F121 HydrophobicContact CD2-CB 4.26Å; L92-F121 PolarHBondContact N-O 3.18Å; L92-F121 PolarHBondContact O-N 2.86Å; P119-F121 PolarHBondContact O-N 2.8Å; F121-Q123 HydrophobicContact CD1-CB 4.45Å; F121-Q123 HydrophobicContact CE1-CB 3.47Å; F121-Q123 VanDerWaalsContact CE1-CB 3.47Å; F121-Q123 HydrophobicContact CZ-CB 3.76Å; F121-W159 HydrophobicContact CB-CH2 4.17Å; F121-W159 AromaticContact CD1-CH2 3.63Å; F121-W159 HydrophobicContact CD1-CH2 3.63Å; F121-W159 AromaticContact CD1-CZ3 3.54Å; F121-W159 HydrophobicContact CD1-CZ3 3.54Å; F121-W159 AromaticContact CD2-CH2 3.93Å; F121-W159 HydrophobicContact CD2-CH2 3.93Å; F121-W159 AromaticContact CE1-CH2 3.87Å; F121-W159 HydrophobicContact CE1-CH2 3.87Å; F121-W159 AromaticContact CE1-CZ3 3.56Å; F121-W159 HydrophobicContact CE1-CZ3 3.56Å; F121-W159 HydrophobicContact CE2-CH2 4.18Å; F121-W159 AromaticContact CG-CH2 3.64Å; F121-W159 HydrophobicContact CG-CH2 3.64Å; F121-W159 HydrophobicContact CG-CZ3 4.06Å; F121-W159 HydrophobicContact CZ-CH2 4.13Å; F121-W159 HydrophobicContact CZ-CZ3 4.13Å; F121-G171 WeakPolarHBondContact CE2-O 3.44Å; F121-G171 VanDerWaalsContact CZ-O 3.25Å; F121-G171 WeakPolarHBondContact CZ-O 3.5Å
122T90.2Very high75.4Confident66 Ų6671.1 Ų71.141%0.40538%0.381SS..EExtended strand (participates in β ladder)trans-133.2133.6173.555.60000111.2F90 P119F90-T122 VanDerWaalsContact O-CA 3.24Å; F90-T122 WeakPolarHBondContact O-CA 3.39Å; P119-T122 HydrophobicContact CB-CG2 3.63Å; P119-T122 HydrophobicContact CG-CG2 3.12Å
123Q91.9Very high78.7Confident29 Ų2966.9 Ų66.914%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-138.7148.2173177.7172.6-14.900109.9F90 F121 L173F90-Q123 VanDerWaalsContact CB-O 3.31Å; F90-Q123 WeakPolarHBondContact CB-O 3.43Å; F90-Q123 PolarHBondContact N-O 2.8Å; F90-Q123 PolarHBondContact O-N 2.89Å; F121-Q123 HydrophobicContact CD1-CB 4.45Å; F121-Q123 HydrophobicContact CE1-CB 3.47Å; F121-Q123 VanDerWaalsContact CE1-CB 3.47Å; F121-Q123 HydrophobicContact CZ-CB 3.76Å; Q123-L173 PolarHBondContact NE2-O 3.38Å
124H92.9Very high81.5Confident110 Ų11062.6 Ų62.651%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-86.9118.8172-163.9-71.3000109.6E87 W89E87-H124 PolarHBondContact O-NE2 3.04Å; W89-H124 HydrophobicContact CZ3-CB 4.35Å
125I93.3Very high84.4Confident4 Ų459.3 Ų59.32%0.02130%0.3CS..  trans-106.1170.3167.866.7167.1000108.7V84 G88 F90 V147 F157V84-I125 HydrophobicContact CG1-CD1 3.8Å; V84-I125 HydrophobicContact CG1-CG1 4.42Å; G88-I125 WeakPolarHBondContact CA-O 3.24Å; G88-I125 VanDerWaalsContact O-CG1 3.24Å; G88-I125 WeakPolarHBondContact O-CG1 3.39Å; G88-I125 PolarHBondContact O-N 2.88Å; G88-I125 VanDerWaalsContact O-O 3.12Å; F90-I125 HydrophobicContact CB-CD1 4.46Å; F90-I125 HydrophobicContact CB-CG1 4.36Å; F90-I125 HydrophobicContact CB-CG2 4.16Å; I125-V147 HydrophobicContact CD1-CG1 4.26Å; I125-V147 HydrophobicContact CD1-CG2 4.37Å; I125-F157 HydrophobicContact CG2-CZ 4.43Å
126P92.4Very high87Confident35 Ų3555.1 Ų55.123%0.22728%0.277CS..  trans-55.6148.2175.6-20.127.9000112.5Y149P126-Y149 HydrophobicContact CB-CD1 4.4Å; P126-Y149 HydrophobicContact CB-CE1 3.65Å; P126-Y149 WeakPolarHBondContact CD-OH 3.5Å; P126-Y149 HydrophobicContact CG-CE1 4.16Å; P126-Y149 WeakPolarHBondContact O-CE1 3.05Å
127A92.4Very high89.1Confident42 Ų4249.9 Ų49.935%0.34725%0.249SC..SBendtrans-72.2171.6178.400000112.6Y149A127-Y149 WeakPolarHBondContact O-CD1 3.38Å
128N92.3Very high90.6Very high94 Ų9446.9 Ų46.950%0.50324%0.236SC..  trans63.739.5178.7-51.1-47.9000114.4A86 K130 Y149 T150A86-N128 PolarHBondContact O-N 2.97Å; N128-K130 PolarHBondContact O-N 3.24Å; N128-Y149 WeakPolarHBondContact O-CA 3.48Å; N128-T150 HydrophobicContact CB-CG2 4.37Å; N128-T150 WeakPolarHBondContact CB-OG1 3.49Å; N128-T150 PolarHBondContact O-N 2.8Å; N128-T150 VanDerWaalsContact O-N 3.09Å
129T93.6Very high91.6Very high3 Ų338.2 Ų38.22%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-64131168.7-57.80000110.4T66 C67 V84 I132 V147T66-T129 VanDerWaalsContact CB-O 3.26Å; T66-T129 WeakPolarHBondContact CB-O 3.37Å; T66-T129 PolarHBondContact OG1-O 2.6Å; C67-T129 WeakPolarHBondContact SG-CG2 3.3Å; V84-T129 HydrophobicContact CB-CG2 4.4Å; V84-T129 HydrophobicContact CG1-CG2 3.91Å; T129-I132 HydrophobicContact CG2-CG2 3.98Å; T129-V147 HydrophobicContact CG2-CG1 3.37Å
130K93.7Very high92.1Very high48 Ų4839.9 Ų39.921%0.20922%0.223CC..EExtended strand (participates in β ladder)trans-108.8-41.7179.9-177.2175.9172.2-173.90112.8H21 N128 G148 T150 V185 D186H21-K130 PolarHBondContact CD2-O 3.45Å; H21-K130 VanDerWaalsContact CD2-O 3.26Å; N128-K130 PolarHBondContact O-N 3.24Å; K130-G148 PolarHBondContact N-O 3.49Å; K130-T150 HydrophobicContact CB-CG2 4.08Å; K130-T150 HydrophobicContact CD-CG2 4.38Å; K130-V185 VanDerWaalsContact CD-O 3.3Å; K130-V185 WeakPolarHBondContact CD-O 3.33Å; K130-V185 WeakPolarHBondContact CE-O 3.45Å; K130-V185 PolarHBondContact NZ-O 2.88Å; K130-D186 VanDerWaalsContact CE-OD1 3.25Å; K130-D186 WeakPolarHBondContact CE-OD1 3.31Å; K130-D186 IonicContact NZ-OD1 2.87Å; K130-D186 PolarHBondContact NZ-OD1 2.85Å
131V95.1Very high92.4Very high10 Ų1039.2 Ų39.26%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-145.9148.3-17559.80000110G148 V185 L188V131-G148 PolarHBondContact N-O 3.3Å; V131-G148 PolarHBondContact O-N 3.01Å; V131-V185 HydrophobicContact CG1-CG1 4.07Å; V131-L188 HydrophobicContact CG1-CD1 3.8Å; V131-L188 HydrophobicContact CG1-CG 3.76Å; V131-L188 HydrophobicContact CG2-CD1 4.45Å; V131-L188 HydrophobicContact CG2-CG 4.41Å
132I96.1Very high92.7Very high19 Ų1942.9 Ų42.910%0.09725%0.251CS..EExtended strand (participates in β ladder)trans-129.8151.4175.557.7177000110.5C67 A69 V82 V84 T129 L145 V146 V147C67-I132 HydrophobicContact CB-CD1 4.34Å; C67-I132 HydrophobicContact CB-CG1 4.05Å; C67-I132 VanDerWaalsContact SG-CG2 3.59Å; A69-I132 HydrophobicContact CB-CD1 3.42Å; A69-I132 VanDerWaalsContact CB-CD1 3.42Å; A69-I132 HydrophobicContact CB-CG1 3.85Å; V82-I132 HydrophobicContact CB-CD1 4.45Å; V82-I132 HydrophobicContact CG1-CD1 3.9Å; V84-I132 HydrophobicContact CG2-CD1 4.49Å; V84-I132 HydrophobicContact CG2-CG2 4.24Å; T129-I132 HydrophobicContact CG2-CG2 3.98Å; I132-L145 HydrophobicContact CB-CD1 4.5Å; I132-V146 CarbonylContact C-O 3.59Å; I132-V146 VanDerWaalsContact CA-O 3.3Å; I132-V146 WeakPolarHBondContact CA-O 3.36Å; I132-V147 HydrophobicContact CG2-CG1 4.25Å; I132-V147 HydrophobicContact CG2-CG2 4.23Å
133L96.4Very high92.8Very high33 Ų3341.3 Ų41.317%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-139.7131.8174.8174.865.7000108.1V146 L188 V190 L200L133-V146 HydrophobicContact CB-CB 4.32Å; L133-V146 PolarHBondContact N-O 3.47Å; L133-V146 PolarHBondContact O-N 2.73Å; L133-L188 HydrophobicContact CB-CB 3.96Å; L133-L188 HydrophobicContact CB-CD1 4.26Å; L133-L188 HydrophobicContact CD2-CB 3.97Å; L133-V190 HydrophobicContact CD2-CG2 4.01Å; L133-L200 HydrophobicContact CD2-CD1 4.01Å
134I96.4Very high93Very high30 Ų3040 Ų4015%0.15424%0.236CC..EExtended strand (participates in β ladder)trans-113.2110.9172.5-57.5164.9000106A69 V73 V82 C143 E144 L145A69-I134 HydrophobicContact CB-CD1 3.71Å; A69-I134 HydrophobicContact CB-CG1 4.34Å; V73-I134 HydrophobicContact CG2-CD1 3.62Å; V73-I134 HydrophobicContact CG2-CG1 4.19Å; V73-I134 HydrophobicContact CG2-CG2 4.23Å; V82-I134 HydrophobicContact CB-CD1 4.36Å; V82-I134 HydrophobicContact CG2-CD1 3.81Å; I134-C143 HydrophobicContact CG2-CB 3.98Å; I134-E144 WeakPolarHBondContact CA-O 3.14Å; I134-L145 HydrophobicContact CG1-CD1 3.83Å
135S94.5Very high93.1Very high33 Ų3334.9 Ų34.923%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-163.8156.2-179.1-174.20000109.3I137 E144 V190S135-I137 PolarHBondContact O-N 2.86Å; S135-E144 PolarHBondContact N-O 2.84Å; S135-E144 PolarHBondContact O-N 2.71Å; S135-V190 WeakPolarHBondContact OG-CG2 3.36Å
136D93.5Very high93.3Very high37 Ų3734.7 Ų34.720%0.19821%0.212CC..  trans-65.6114.9162-178.6-4.2000108.8D138 G139 D140 G141 R142D136-D138 PolarHBondContact OD1-N 3.1Å; D136-D138 VanDerWaalsContact OD1-N 3.14Å; D136-G139 VanDerWaalsContact OD1-CA 3.3Å; D136-G139 WeakPolarHBondContact OD1-CA 3.34Å; D136-G139 PolarHBondContact OD1-N 2.78Å; D136-G139 WeakPolarHBondContact OD2-CA 3.4Å; D136-D140 PolarHBondContact OD1-N 3.2Å; D136-G141 VanDerWaalsContact OD2-CA 3.31Å; D136-G141 WeakPolarHBondContact OD2-CA 3.5Å; D136-G141 PolarHBondContact OD2-N 3.19Å; D136-R142 WeakPolarHBondContact CA-O 3.05Å; D136-R142 WeakPolarHBondContact CB-O 3.41Å
137I93.1Very high93.5Very high2 Ų233 Ų331%0.0120%0.201CC..SBendtrans-106.1-11.8-17968.5176.8000113.2S135 E144 V146 A156 V190 L200 C214 W216S135-I137 PolarHBondContact O-N 2.86Å; I137-E144 HydrophobicContact CD1-CB 3.92Å; I137-E144 HydrophobicContact CD1-CG 4.02Å; I137-E144 HydrophobicContact CG1-CB 3.98Å; I137-E144 HydrophobicContact CG1-CG 3.88Å; I137-E144 WeakPolarHBondContact CG1-OE2 3.48Å; I137-E144 PolarHBondContact N-OE2 3.12Å; I137-V146 HydrophobicContact CD1-CG2 3.89Å; I137-V146 HydrophobicContact CG2-CG2 3.74Å; I137-A156 HydrophobicContact CD1-CB 3.72Å; I137-V190 HydrophobicContact CG2-CG2 3.87Å; I137-L200 HydrophobicContact CD1-CD2 4.35Å; I137-L200 HydrophobicContact CG2-CD1 4.35Å; I137-C214 PolarHBondContact O-SG 3.23Å; I137-C214 VanDerWaalsContact O-SG 3.42Å; I137-W216 HydrophobicContact CD1-CH2 3.79Å; I137-W216 HydrophobicContact CD1-CZ2 3.92Å; I137-W216 HydrophobicContact CG1-CH2 4.49Å; I137-W216 HydrophobicContact CG1-CZ2 4.21Å
138D90.1Very high93.7Very high26 Ų2631 Ų3114%0.13918%0.184CC..SBendtrans-122.2-2.8-173.876.1-0.2000114D136 D140 R158 C214 W216 T217D136-D138 PolarHBondContact OD1-N 3.1Å; D136-D138 VanDerWaalsContact OD1-N 3.14Å; D138-D140 VanDerWaalsContact OD1-CB 3.32Å; D138-D140 WeakPolarHBondContact OD1-CB 3.4Å; D138-D140 PolarHBondContact OD1-N 3.2Å; D138-R158 VanDerWaalsContact CG-NH2 3.32Å; D138-R158 IonicContact OD1-NH2 2.96Å; D138-R158 PolarHBondContact OD1-NH2 2.73Å; D138-R158 IonicContact OD2-CZ 3.25Å; D138-R158 IonicContact OD2-NH1 3.94Å; D138-R158 IonicContact OD2-NH2 2.66Å; D138-R158 PolarHBondContact OD2-NH2 3.19Å; D138-C214 HydrophobicContact CB-CB 4.17Å; D138-W216 HydrophobicContact CB-CZ2 4.18Å; D138-W216 PolarHBondContact OD2-NE1 3.08Å; D138-T217 HydrophobicContact CB-CG2 3.71Å
139G88.2Confident93.8Very high40 Ų4026.7 Ų26.741%0.41216%0.161SC..SBendtrans80.614.1175.200000113.6D136 G141D136-G139 VanDerWaalsContact OD1-CA 3.3Å; D136-G139 WeakPolarHBondContact OD1-CA 3.34Å; D136-G139 PolarHBondContact OD1-N 2.78Å; D136-G139 WeakPolarHBondContact OD2-CA 3.4Å; G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.44Å
140D89.5Confident93.8Very high65 Ų6530.2 Ų30.235%0.34818%0.183SC..SBendtrans-83.8-0.9-17986.6-8.1000113.5D136 D138 R142 R158D136-D140 PolarHBondContact OD1-N 3.2Å; D138-D140 VanDerWaalsContact OD1-CB 3.32Å; D138-D140 WeakPolarHBondContact OD1-CB 3.4Å; D138-D140 PolarHBondContact OD1-N 3.2Å; D140-R142 VanDerWaalsContact C-N 3.27Å; D140-R142 PolarHBondContact O-N 2.8Å; D140-R142 WeakPolarHBondContact OD1-CA 3.21Å; D140-R142 WeakPolarHBondContact OD1-CB 3.18Å; D140-R142 PolarHBondContact OD1-N 2.72Å; D140-R142 IonicContact OD1-NE 3.41Å; D140-R142 IonicContact OD2-CZ 2.73Å; D140-R142 VanDerWaalsContact OD2-CZ 3.23Å; D140-R142 IonicContact OD2-NE 2.59Å; D140-R142 PolarHBondContact OD2-NE 3.32Å; D140-R142 IonicContact OD2-NH2 3.05Å; D140-R142 PolarHBondContact OD2-NH2 2.88Å; D140-R158 IonicContact OD1-NH2 2.76Å; D140-R158 IonicContact OD2-CZ 3.91Å; D140-R158 VanDerWaalsContact OD2-CZ 3.27Å; D140-R158 IonicContact OD2-NH1 3.16Å; D140-R158 PolarHBondContact OD2-NH1 2.84Å; D140-R158 IonicContact OD2-NH2 3.67Å; D140-R158 PolarHBondContact OD2-NH2 2.95Å
141G88.3Confident93.7Very high64 Ų6431.9 Ų31.966%0.6619%0.194SC*.SBendtrans80.33.1-179.100000114.1D136 G139D136-G141 VanDerWaalsContact OD2-CA 3.31Å; D136-G141 WeakPolarHBondContact OD2-CA 3.5Å; D136-G141 PolarHBondContact OD2-N 3.19Å; G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.44Å
142R91.8Very high93.7Very high111 Ų11137.1 Ų37.142%0.41921%0.212SC..SBendtrans-102.8149.4170.2-60-175.5-69.8-167.8-7.2109.6N75 D136 D140N75-R142 HydrophobicContact CB-CB 4.43Å; N75-R142 HydrophobicContact CB-CG 4.3Å; N75-R142 VanDerWaalsContact OD1-CA 3.28Å; N75-R142 WeakPolarHBondContact OD1-CA 3.3Å; N75-R142 WeakPolarHBondContact OD1-CB 3.49Å; D136-R142 WeakPolarHBondContact CA-O 3.05Å; D136-R142 WeakPolarHBondContact CB-O 3.41Å; D140-R142 VanDerWaalsContact C-N 3.27Å; D140-R142 PolarHBondContact O-N 2.8Å; D140-R142 WeakPolarHBondContact OD1-CA 3.21Å; D140-R142 WeakPolarHBondContact OD1-CB 3.18Å; D140-R142 PolarHBondContact OD1-N 2.72Å; D140-R142 IonicContact OD1-NE 3.41Å; D140-R142 IonicContact OD2-CZ 2.73Å; D140-R142 VanDerWaalsContact OD2-CZ 3.23Å; D140-R142 IonicContact OD2-NE 2.59Å; D140-R142 PolarHBondContact OD2-NE 3.32Å; D140-R142 IonicContact OD2-NH2 3.05Å; D140-R142 PolarHBondContact OD2-NH2 2.88Å
143C93.5Very high93.6Very high33 Ų3336.4 Ų36.422%0.22321%0.209CC..PPolyproline II helixtrans-86.6132174.5-68.20000110.7N75 I134N75-C143 PolarHBondContact ND2-O 3.42Å; N75-C143 PolarHBondContact OD1-N 3.2Å; I134-C143 HydrophobicContact CG2-CB 3.98Å
144E95.3Very high93.6Very high1 Ų134.8 Ų34.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-100.8150.5169.3-70.364-127.100110.3I134 S135 I137 F157 R158 L176I134-E144 WeakPolarHBondContact CA-O 3.14Å; S135-E144 PolarHBondContact N-O 2.84Å; S135-E144 PolarHBondContact O-N 2.71Å; I137-E144 HydrophobicContact CD1-CB 3.92Å; I137-E144 HydrophobicContact CD1-CG 4.02Å; I137-E144 HydrophobicContact CG1-CB 3.98Å; I137-E144 HydrophobicContact CG1-CG 3.88Å; I137-E144 WeakPolarHBondContact CG1-OE2 3.48Å; I137-E144 PolarHBondContact N-OE2 3.12Å; E144-F157 WeakPolarHBondContact CA-O 3.28Å; E144-R158 IonicContact OE1-CZ 3.48Å; E144-R158 VanDerWaalsContact OE1-CZ 3.23Å; E144-R158 IonicContact OE1-NE 2.99Å; E144-R158 PolarHBondContact OE1-NE 2.8Å; E144-R158 IonicContact OE1-NH2 3.79Å; E144-R158 PolarHBondContact OE1-NH2 2.92Å; E144-L176 HydrophobicContact CG-CD1 3.83Å
145L96.1Very high93.6Very high3 Ų335.9 Ų35.92%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-93.5108168.4178.172.9000109.1F90 I132 I134 V147 F157 L173F90-L145 HydrophobicContact CD2-CD2 3.89Å; F90-L145 HydrophobicContact CE2-CD1 4.49Å; F90-L145 HydrophobicContact CE2-CD2 3.4Å; F90-L145 HydrophobicContact CZ-CD2 4.19Å; I132-L145 HydrophobicContact CB-CD1 4.5Å; I134-L145 HydrophobicContact CG1-CD1 3.83Å; L145-V147 HydrophobicContact CD2-CG2 4.16Å; L145-V147 HydrophobicContact CG-CG2 3.97Å; L145-F157 HydrophobicContact CB-CB 4.34Å; L145-F157 PolarHBondContact N-O 3.21Å; L145-F157 PolarHBondContact O-N 3.15Å; L145-L173 HydrophobicContact CD2-CD1 3.77Å; L145-L173 HydrophobicContact CD2-CD2 4.12Å
146V97.1Very high93.7Very high0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-96.9130172.8-171.50000109.8I132 L133 I137 V154 R155 A156 L188 L200I132-V146 CarbonylContact C-O 3.59Å; I132-V146 VanDerWaalsContact CA-O 3.3Å; I132-V146 WeakPolarHBondContact CA-O 3.36Å; L133-V146 HydrophobicContact CB-CB 4.32Å; L133-V146 PolarHBondContact N-O 3.47Å; L133-V146 PolarHBondContact O-N 2.73Å; I137-V146 HydrophobicContact CD1-CG2 3.89Å; I137-V146 HydrophobicContact CG2-CG2 3.74Å; V146-V154 HydrophobicContact CG1-CG1 3.45Å; V146-V154 VanDerWaalsContact CG1-CG1 3.45Å; V146-R155 CarbonylContact C-O 3.54Å; V146-R155 WeakPolarHBondContact CA-O 3.42Å; V146-A156 HydrophobicContact CG2-CB 4.39Å; V146-L188 HydrophobicContact CB-CD1 4.32Å; V146-L188 HydrophobicContact CG1-CD1 3.85Å; V146-L188 HydrophobicContact CG1-CD2 4.47Å; V146-L200 HydrophobicContact CG1-CD1 4.35Å; V146-L200 HydrophobicContact CG1-CD2 4Å; V146-L200 HydrophobicContact CG2-CD1 4.34Å; V146-L200 HydrophobicContact CG2-CD2 4.13Å
147V96.8Very high93.8Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-122.6120.9-176.8-1720000109.3I125 T129 I132 L145 Y149 V154 R155 F157I125-V147 HydrophobicContact CD1-CG1 4.26Å; I125-V147 HydrophobicContact CD1-CG2 4.37Å; T129-V147 HydrophobicContact CG2-CG1 3.37Å; I132-V147 HydrophobicContact CG2-CG1 4.25Å; I132-V147 HydrophobicContact CG2-CG2 4.23Å; L145-V147 HydrophobicContact CD2-CG2 4.16Å; L145-V147 HydrophobicContact CG-CG2 3.97Å; V147-Y149 HydrophobicContact CB-CE2 4.02Å; V147-Y149 HydrophobicContact CG1-CE1 3.97Å; V147-Y149 HydrophobicContact CG1-CE2 3.87Å; V147-Y149 WeakPolarHBondContact O-CE2 3.41Å; V147-V154 WeakPolarHBondContact O-CA 3.47Å; V147-R155 PolarHBondContact N-O 2.84Å; V147-R155 PolarHBondContact O-N 3.06Å; V147-F157 HydrophobicContact CB-CE2 4.22Å; V147-F157 HydrophobicContact CG2-CD2 3.92Å; V147-F157 HydrophobicContact CG2-CE2 3.83Å
148G96.2Very high93.8Very high0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-98.3131.3173.500000110.9K130 V131K130-G148 PolarHBondContact N-O 3.49Å; V131-G148 PolarHBondContact N-O 3.3Å; V131-G148 PolarHBondContact O-N 3.01Å
149Y95.4Very high93.9Very high2 Ų233.3 Ų33.31%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-108.5161.7-176.4-60.5-89.4000111.4P126 A127 N128 V147 D151 V153 R155P126-Y149 HydrophobicContact CB-CD1 4.4Å; P126-Y149 HydrophobicContact CB-CE1 3.65Å; P126-Y149 WeakPolarHBondContact CD-OH 3.5Å; P126-Y149 HydrophobicContact CG-CE1 4.16Å; P126-Y149 WeakPolarHBondContact O-CE1 3.05Å; A127-Y149 WeakPolarHBondContact O-CD1 3.38Å; N128-Y149 WeakPolarHBondContact O-CA 3.48Å; V147-Y149 HydrophobicContact CB-CE2 4.02Å; V147-Y149 HydrophobicContact CG1-CE1 3.97Å; V147-Y149 HydrophobicContact CG1-CE2 3.87Å; V147-Y149 WeakPolarHBondContact O-CE2 3.41Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.38Å; Y149-D151 PolarHBondContact O-N 2.8Å; Y149-V153 HydrophobicContact CD2-CB 4.2Å; Y149-V153 HydrophobicContact CD2-CG1 4.2Å; Y149-V153 WeakPolarHBondContact CD2-O 3.26Å; Y149-V153 PolarHBondContact N-O 2.98Å; Y149-R155 HydrophobicContact CE2-CB 3.92Å; Y149-R155 HydrophobicContact CE2-CG 3.69Å
150T92.8Very high94Very high77 Ų7736.3 Ų36.347%0.47219%0.187SC..THydrogen-bonded Turntrans-70.2-15.2176.362.20000113.6N128 K130 R152N128-T150 HydrophobicContact CB-CG2 4.37Å; N128-T150 WeakPolarHBondContact CB-OG1 3.49Å; N128-T150 PolarHBondContact O-N 2.8Å; N128-T150 VanDerWaalsContact O-N 3.09Å; K130-T150 HydrophobicContact CB-CG2 4.08Å; K130-T150 HydrophobicContact CD-CG2 4.38Å; T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.85Å
151D92.4Very high93.8Very high84 Ų8437.7 Ų37.745%0.44919%0.191SC..THydrogen-bonded Turntrans-9117-176.270.2-13.6000113.8Y149 V153Y149-D151 WeakPolarHBondContact CB-OD1 3.38Å; Y149-D151 PolarHBondContact O-N 2.8Å; D151-V153 PolarHBondContact O-N 2.72Å; D151-V153 VanDerWaalsContact OD1-CB 3.23Å; D151-V153 WeakPolarHBondContact OD1-CB 3.28Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-V153 PolarHBondContact OD1-N 2.81Å
152R93.7Very high93.2Very high119 Ų11941.4 Ų41.445%0.44919%0.191SC..SBendtrans69.316.7-178.2-46.1169.7-75.7-177.8-2.6113.7T150 L181 E182 G183T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.85Å; R152-L181 HydrophobicContact CB-CB 4.39Å; R152-L181 WeakPolarHBondContact CB-O 3.26Å; R152-L181 WeakPolarHBondContact O-CB 3.36Å; R152-L181 PolarHBondContact O-N 3.39Å; R152-E182 WeakPolarHBondContact CD-O 3.47Å; R152-E182 PolarHBondContact NH1-O 2.96Å; R152-G183 WeakPolarHBondContact CB-O 3.41Å; R152-G183 WeakPolarHBondContact CG-O 3.26Å
153V95.3Very high91.5Very high4 Ų441.4 Ų41.42%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-96.4144.3174.5179.10000109.5Y149 D151 R155 K178 W179 L180Y149-V153 HydrophobicContact CD2-CB 4.2Å; Y149-V153 HydrophobicContact CD2-CG1 4.2Å; Y149-V153 WeakPolarHBondContact CD2-O 3.26Å; Y149-V153 PolarHBondContact N-O 2.98Å; D151-V153 PolarHBondContact O-N 2.72Å; D151-V153 VanDerWaalsContact OD1-CB 3.23Å; D151-V153 WeakPolarHBondContact OD1-CB 3.28Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-V153 PolarHBondContact OD1-N 2.81Å; V153-R155 HydrophobicContact CG1-CG 3.98Å; V153-K178 HydrophobicContact CG1-CD 4.2Å; V153-K178 HydrophobicContact CG1-CG 3.65Å; V153-W179 WeakPolarHBondContact CA-O 3.41Å; V153-L180 HydrophobicContact CG2-CD1 3.98Å
154V96.8Very high89.6Confident0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-121.9140.2164.6179.20000108V146 V147 K178 W179 L181 V185 L188 V202 L212V146-V154 HydrophobicContact CG1-CG1 3.45Å; V146-V154 VanDerWaalsContact CG1-CG1 3.45Å; V147-V154 WeakPolarHBondContact O-CA 3.47Å; V154-K178 WeakPolarHBondContact O-CA 3.47Å; V154-W179 HydrophobicContact CB-CE3 4.31Å; V154-W179 HydrophobicContact CG1-CE3 4.16Å; V154-W179 HydrophobicContact CG1-CZ3 4.43Å; V154-W179 PolarHBondContact N-O 3.16Å; V154-W179 PolarHBondContact O-N 2.81Å; V154-L181 HydrophobicContact CG2-CD1 3.68Å; V154-V185 HydrophobicContact CG2-CG1 4.43Å; V154-V185 HydrophobicContact CG2-CG2 3.86Å; V154-L188 HydrophobicContact CG1-CD2 4.24Å; V154-L188 HydrophobicContact CG2-CD2 4.19Å; V154-V202 HydrophobicContact CG2-CG1 4.3Å; V154-V202 HydrophobicContact CG2-CG2 4.32Å; V154-L212 HydrophobicContact CB-CD1 3.91Å; V154-L212 HydrophobicContact CG1-CD1 3.77Å; V154-L212 HydrophobicContact CG2-CD1 4.27Å
155R96.1Very high87.4Confident53 Ų5349.2 Ų49.220%0.225%0.252CS..EExtended strand (participates in β ladder)trans-130.3138.3174.9-63.1-176.5-166.3-160.36.8110.4V146 V147 Y149 V153 F157 L175 K177 K178V146-R155 CarbonylContact C-O 3.54Å; V146-R155 WeakPolarHBondContact CA-O 3.42Å; V147-R155 PolarHBondContact N-O 2.84Å; V147-R155 PolarHBondContact O-N 3.06Å; Y149-R155 HydrophobicContact CE2-CB 3.92Å; Y149-R155 HydrophobicContact CE2-CG 3.69Å; V153-R155 HydrophobicContact CG1-CG 3.98Å; R155-F157 HydrophobicContact CB-CD2 4.38Å; R155-F157 HydrophobicContact CB-CE2 3.64Å; R155-F157 HydrophobicContact CB-CZ 4.01Å; R155-L175 HydrophobicContact CB-CD1 3.76Å; R155-L175 HydrophobicContact CG-CD1 4.06Å; R155-K177 VanDerWaalsContact CA-O 3.29Å; R155-K177 WeakPolarHBondContact CA-O 3.21Å; R155-K178 HydrophobicContact CG-CB 4.26Å; R155-K178 HydrophobicContact CG-CG 4.18Å
156A95.9Very high85.3Confident0 Ų055.8 Ų55.80%030%0.299CS..EExtended strand (participates in β ladder)trans-104134.8170.800000109.3I137 V146 L176 K177 W179 W216I137-A156 HydrophobicContact CD1-CB 3.72Å; V146-A156 HydrophobicContact CG2-CB 4.39Å; A156-L176 HydrophobicContact CB-CB 4.39Å; A156-L176 PolarHBondContact O-N 2.9Å; A156-K177 PolarHBondContact N-O 3.3Å; A156-K177 PolarHBondContact O-N 3.11Å; A156-W179 HydrophobicContact CB-CH2 3.65Å; A156-W179 HydrophobicContact CB-CZ3 3.6Å; A156-W216 HydrophobicContact CB-CH2 4.26Å
157F94.9Very high83Confident10 Ų1062.3 Ų62.34%0.04433%0.333CS..EExtended strand (participates in β ladder)trans-122.9145.8175.7-59.1-93.7000109.7I125 E144 L145 V147 R155 L173 V174 L175I125-F157 HydrophobicContact CG2-CZ 4.43Å; E144-F157 WeakPolarHBondContact CA-O 3.28Å; L145-F157 HydrophobicContact CB-CB 4.34Å; L145-F157 PolarHBondContact N-O 3.21Å; L145-F157 PolarHBondContact O-N 3.15Å; V147-F157 HydrophobicContact CB-CE2 4.22Å; V147-F157 HydrophobicContact CG2-CD2 3.92Å; V147-F157 HydrophobicContact CG2-CE2 3.83Å; R155-F157 HydrophobicContact CB-CD2 4.38Å; R155-F157 HydrophobicContact CB-CE2 3.64Å; R155-F157 HydrophobicContact CB-CZ 4.01Å; F157-L173 HydrophobicContact CB-CB 4.21Å; F157-L173 HydrophobicContact CB-CD2 4.2Å; F157-L173 HydrophobicContact CD1-CB 4.26Å; F157-V174 CarbonylContact C-O 3.59Å; F157-V174 WeakPolarHBondContact CA-O 3.21Å; F157-L175 HydrophobicContact CD1-CB 4.1Å; F157-L175 HydrophobicContact CD1-CD1 4.17Å; F157-L175 HydrophobicContact CE1-CB 3.99Å; F157-L175 HydrophobicContact CE1-CD1 3.77Å; F157-L175 HydrophobicContact CE1-CG 4.48Å; F157-L175 HydrophobicContact CZ-CD1 3.96Å
158R93.5Very high80.8Confident19 Ų1965 Ų657%0.07236%0.361CS..EExtended strand (participates in β ladder)trans-118.1142.2169.7-178.1170.3-76.8161.1-5.1109.4D138 D140 E144 V174 L176D138-R158 VanDerWaalsContact CG-NH2 3.32Å; D138-R158 IonicContact OD1-NH2 2.96Å; D138-R158 PolarHBondContact OD1-NH2 2.73Å; D138-R158 IonicContact OD2-CZ 3.25Å; D138-R158 IonicContact OD2-NH1 3.94Å; D138-R158 IonicContact OD2-NH2 2.66Å; D138-R158 PolarHBondContact OD2-NH2 3.19Å; D140-R158 IonicContact OD1-NH2 2.76Å; D140-R158 IonicContact OD2-CZ 3.91Å; D140-R158 VanDerWaalsContact OD2-CZ 3.27Å; D140-R158 IonicContact OD2-NH1 3.16Å; D140-R158 PolarHBondContact OD2-NH1 2.84Å; D140-R158 IonicContact OD2-NH2 3.67Å; D140-R158 PolarHBondContact OD2-NH2 2.95Å; E144-R158 IonicContact OE1-CZ 3.48Å; E144-R158 VanDerWaalsContact OE1-CZ 3.23Å; E144-R158 IonicContact OE1-NE 2.99Å; E144-R158 PolarHBondContact OE1-NE 2.8Å; E144-R158 IonicContact OE1-NH2 3.79Å; E144-R158 PolarHBondContact OE1-NH2 2.92Å; R158-V174 PolarHBondContact N-O 2.81Å; R158-V174 PolarHBondContact O-N 2.86Å; R158-L176 HydrophobicContact CB-CD1 3.82Å; R158-L176 HydrophobicContact CB-CD2 4.02Å; R158-L176 HydrophobicContact CB-CG 3.93Å
159W92.6Very high78.8Confident14 Ų1466.4 Ų66.45%0.05338%0.376CS..EExtended strand (participates in β ladder)trans-78.2124.5173.6-176.1-91.7000110.1V73 R74 L92 F121 L173V73-W159 HydrophobicContact CG1-CB 4.47Å; V73-W159 HydrophobicContact CG1-CE3 4.45Å; V73-W159 WeakPolarHBondContact O-CB 3.39Å; R74-W159 HydrophobicContact CG-CD2 4.08Å; R74-W159 HydrophobicContact CG-CG 4.19Å; R74-W159 HydrophobicContact CG-CZ2 4.22Å; L92-W159 HydrophobicContact CD2-CH2 4.26Å; L92-W159 HydrophobicContact CD2-CZ3 4.27Å; F121-W159 HydrophobicContact CB-CH2 4.17Å; F121-W159 AromaticContact CD1-CH2 3.63Å; F121-W159 HydrophobicContact CD1-CH2 3.63Å; F121-W159 AromaticContact CD1-CZ3 3.54Å; F121-W159 HydrophobicContact CD1-CZ3 3.54Å; F121-W159 AromaticContact CD2-CH2 3.93Å; F121-W159 HydrophobicContact CD2-CH2 3.93Å; F121-W159 AromaticContact CE1-CH2 3.87Å; F121-W159 HydrophobicContact CE1-CH2 3.87Å; F121-W159 AromaticContact CE1-CZ3 3.56Å; F121-W159 HydrophobicContact CE1-CZ3 3.56Å; F121-W159 HydrophobicContact CE2-CH2 4.18Å; F121-W159 AromaticContact CG-CH2 3.64Å; F121-W159 HydrophobicContact CG-CH2 3.64Å; F121-W159 HydrophobicContact CG-CZ3 4.06Å; F121-W159 HydrophobicContact CZ-CH2 4.13Å; F121-W159 HydrophobicContact CZ-CZ3 4.13Å; W159-L173 HydrophobicContact CE3-CD2 3.92Å; W159-L173 HydrophobicContact CE3-CG 4.11Å; W159-L173 HydrophobicContact CZ3-CG 4.42Å
160E89.9Confident77.4Confident104 Ų10468.3 Ų68.349%0.48639%0.389SS..EExtended strand (participates in β ladder)trans-118.9136172.1-67.6-172.7177.300110.1G171 Q172 V174E160-G171 CarbonylContact O-C 3.48Å; E160-G171 WeakPolarHBondContact O-CA 3.46Å; E160-Q172 PolarHBondContact N-O 3.03Å; E160-Q172 PolarHBondContact O-N 3.01Å; E160-V174 HydrophobicContact CB-CG2 4.06Å; E160-V174 HydrophobicContact CG-CB 4.45Å; E160-V174 HydrophobicContact CG-CG2 3.98Å
161E85Confident76.9Confident93 Ų9365 Ų6544%0.43537%0.371SS..EExtended strand (participates in β ladder)trans-92133.9175.6-57.6-157.914600110.1K76 S163K76-E161 VanDerWaalsContact CE-CD 3.45Å; K76-E161 WeakPolarHBondContact CE-OE1 3.39Å; K76-E161 VanDerWaalsContact CE-OE2 3.23Å; K76-E161 WeakPolarHBondContact CE-OE2 3.4Å; K76-E161 IonicContact NZ-OE1 3.01Å; K76-E161 PolarHBondContact NZ-OE1 3.15Å; K76-E161 IonicContact NZ-OE2 3.01Å; K76-E161 PolarHBondContact NZ-OE2 3.47Å; E161-S163 PolarHBondContact O-N 2.89Å
162Q75.3Confident76.8Confident142 Ų14266.6 Ų66.666%0.66438%0.375SS*.  trans-76124.4175-162.3165.341.300108.6D164 S170Q162-D164 PolarHBondContact O-N 2.86Å; Q162-S170 WeakPolarHBondContact CB-O 3.09Å; Q162-S170 PolarHBondContact N-O 2.72Å
163S57.9Low76.7Confident112 Ų11261.1 Ų61.178%0.78336%0.355SS*.THydrogen-bonded Turntrans-66.2-4.3-167.856.60000116.3E161E161-S163 PolarHBondContact O-N 2.89Å
164D53.8Low76.6Confident146 Ų14663.2 Ų63.278%0.78137%0.368SS*.THydrogen-bonded Turntrans-117.15.2-161.3-71.94.8000115.3Q162Q162-D164 PolarHBondContact O-N 2.86Å
165S47.6Very low76.4Confident52 Ų5267 Ų6736%0.36439%0.387SS..  trans-106.3123.2175.567.20000112.2D167 S170S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å; S165-D167 PolarHBondContact OG-O 2.85Å; S165-D167 VanDerWaalsContact OG-O 3.13Å; S165-S170 WeakPolarHBondContact CB-OG 3.33Å; S165-S170 PolarHBondContact OG-OG 2.96Å
166S51.5Low76.3Confident141 Ų14166.8 Ų66.899%0.98639%0.39SS*.SBendtrans-74.610.8169.8370000112.9
167D49.7Very low76.1Confident136 Ų13667.8 Ų67.873%0.72739%0.394SS*.SBendtrans-122.8110.4177.8-156.514.6000106.4S165 G169S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å; S165-D167 PolarHBondContact OG-O 2.85Å; S165-D167 VanDerWaalsContact OG-O 3.13Å; D167-G169 PolarHBondContact O-N 3.48Å
168G51.6Low76.1Confident56 Ų5672.9 Ų72.958%0.57742%0.416SS*.THydrogen-bonded Turntrans-68.139.8-16300000116.9
169G52.8Low76.2Confident31 Ų3172.1 Ų72.132%0.3241%0.414SS..THydrogen-bonded Turntrans-129.1-6.4-171.900000117.1D167 G171D167-G169 PolarHBondContact O-N 3.48Å; G169-G171 PolarHBondContact O-N 3.41Å
170S66.7Low76.3Confident41 Ų4176.3 Ų76.329%0.28744%0.437SS..  trans-94.781.4178.471.10000112.3Q162 S165Q162-S170 WeakPolarHBondContact CB-O 3.09Å; Q162-S170 PolarHBondContact N-O 2.72Å; S165-S170 WeakPolarHBondContact CB-OG 3.33Å; S165-S170 PolarHBondContact OG-OG 2.96Å
171G81.9Confident76.4Confident8 Ų871.7 Ų71.78%0.08242%0.415CS..EExtended strand (participates in β ladder)trans-112171.6162.900000111.5F121 E160 G169F121-G171 WeakPolarHBondContact CE2-O 3.44Å; F121-G171 VanDerWaalsContact CZ-O 3.25Å; F121-G171 WeakPolarHBondContact CZ-O 3.5Å; E160-G171 CarbonylContact O-C 3.48Å; E160-G171 WeakPolarHBondContact O-CA 3.46Å; G169-G171 PolarHBondContact O-N 3.41Å
172Q90.4Very high76.5Confident117 Ų11774.3 Ų74.355%0.54743%0.427SS..EExtended strand (participates in β ladder)trans-140.8146.6176-172.7177.7-3.500110E160 V174E160-Q172 PolarHBondContact N-O 3.03Å; E160-Q172 PolarHBondContact O-N 3.01Å; Q172-V174 PolarHBondContact O-N 3.05Å
173L91.8Very high77.2Confident4 Ų468.2 Ų68.22%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-77.4114164.9-67.1169.8000109.5V73 F90 Q123 L145 F157 W159V73-L173 HydrophobicContact CG1-CD2 4.32Å; F90-L173 HydrophobicContact CD1-CD1 3.68Å; F90-L173 HydrophobicContact CD2-CD1 3.86Å; F90-L173 HydrophobicContact CE1-CD1 3.67Å; F90-L173 HydrophobicContact CE1-CG 4.46Å; F90-L173 HydrophobicContact CE2-CD1 3.83Å; F90-L173 HydrophobicContact CG-CD1 3.79Å; F90-L173 HydrophobicContact CZ-CD1 3.76Å; Q123-L173 PolarHBondContact NE2-O 3.38Å; L145-L173 HydrophobicContact CD2-CD1 3.77Å; L145-L173 HydrophobicContact CD2-CD2 4.12Å; F157-L173 HydrophobicContact CB-CB 4.21Å; F157-L173 HydrophobicContact CB-CD2 4.2Å; F157-L173 HydrophobicContact CD1-CB 4.26Å; W159-L173 HydrophobicContact CE3-CD2 3.92Å; W159-L173 HydrophobicContact CE3-CG 4.11Å; W159-L173 HydrophobicContact CZ3-CG 4.42Å
174V92.7Very high78.8Confident48 Ų4868.9 Ų68.929%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-95.9130.3175.4-179.30000108.8F157 R158 E160 Q172 L176F157-V174 CarbonylContact C-O 3.59Å; F157-V174 WeakPolarHBondContact CA-O 3.21Å; R158-V174 PolarHBondContact N-O 2.81Å; R158-V174 PolarHBondContact O-N 2.86Å; E160-V174 HydrophobicContact CB-CG2 4.06Å; E160-V174 HydrophobicContact CG-CB 4.45Å; E160-V174 HydrophobicContact CG-CG2 3.98Å; Q172-V174 PolarHBondContact O-N 3.05Å; V174-L176 PolarHBondContact O-N 2.86Å
175L93.8Very high80.6Confident80 Ų8062 Ų6242%0.41936%0.357SS..EExtended strand (participates in β ladder)trans-72.1118.2177.3177.269.6000109.3R155 F157R155-L175 HydrophobicContact CB-CD1 3.76Å; R155-L175 HydrophobicContact CG-CD1 4.06Å; F157-L175 HydrophobicContact CD1-CB 4.1Å; F157-L175 HydrophobicContact CD1-CD1 4.17Å; F157-L175 HydrophobicContact CE1-CB 3.99Å; F157-L175 HydrophobicContact CE1-CD1 3.77Å; F157-L175 HydrophobicContact CE1-CG 4.48Å; F157-L175 HydrophobicContact CZ-CD1 3.96Å
176L92.3Very high82.7Confident49 Ų4960.4 Ų60.426%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-82.5-53.7173.9-65.5-178.9000111E144 A156 R158 V174 W216E144-L176 HydrophobicContact CG-CD1 3.83Å; A156-L176 HydrophobicContact CB-CB 4.39Å; A156-L176 PolarHBondContact O-N 2.9Å; R158-L176 HydrophobicContact CB-CD1 3.82Å; R158-L176 HydrophobicContact CB-CD2 4.02Å; R158-L176 HydrophobicContact CB-CG 3.93Å; V174-L176 PolarHBondContact O-N 2.86Å; L176-W216 HydrophobicContact CB-CE3 4.49Å; L176-W216 HydrophobicContact CD1-CZ2 3.92Å
177K93.2Very high84.8Confident20 Ų2054.2 Ų54.29%0.08730%0.301CS..EExtended strand (participates in β ladder)trans-154.1154.2-174.6-168.9161.4-179.5178.40112.7R155 A156 W179 L213 T215 W216 D240R155-K177 VanDerWaalsContact CA-O 3.29Å; R155-K177 WeakPolarHBondContact CA-O 3.21Å; A156-K177 PolarHBondContact N-O 3.3Å; A156-K177 PolarHBondContact O-N 3.11Å; K177-W179 HydrophobicContact CB-CE3 4.49Å; K177-W179 HydrophobicContact CB-CH2 3.85Å; K177-W179 HydrophobicContact CB-CZ2 3.96Å; K177-W179 HydrophobicContact CB-CZ3 4.12Å; K177-W179 HydrophobicContact CD-CD2 4.36Å; K177-W179 HydrophobicContact CD-CH2 4.38Å; K177-W179 HydrophobicContact CD-CZ2 3.61Å; K177-W179 HydrophobicContact CG-CD2 4.06Å; K177-W179 HydrophobicContact CG-CE3 4.4Å; K177-W179 HydrophobicContact CG-CH2 4.22Å; K177-W179 HydrophobicContact CG-CZ2 3.86Å; K177-W179 HydrophobicContact CG-CZ3 4.46Å; K177-L213 PolarHBondContact NZ-O 2.78Å; K177-T215 VanDerWaalsContact NZ-CG2 3.28Å; K177-T215 PolarHBondContact NZ-OG1 2.83Å; K177-W216 HydrophobicContact CB-CE3 3.71Å; K177-W216 HydrophobicContact CB-CH2 4.39Å; K177-W216 HydrophobicContact CB-CZ3 3.34Å; K177-W216 HydrophobicContact CD-CE3 3.74Å; K177-W216 HydrophobicContact CD-CZ3 3.59Å; K177-W216 HydrophobicContact CG-CE3 4.35Å; K177-W216 HydrophobicContact CG-CZ3 4.05Å; K177-D240 WeakPolarHBondContact CE-OD2 3.2Å; K177-D240 IonicContact NZ-OD1 2.95Å; K177-D240 IonicContact NZ-OD2 3.61Å; K177-D240 PolarHBondContact NZ-OD2 3.08Å
178K94.4Very high87Confident117 Ų11748.5 Ų48.551%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-121.8127.6172.6178.7-170.8173.2-170.90108.9V153 V154 R155V153-K178 HydrophobicContact CG1-CD 4.2Å; V153-K178 HydrophobicContact CG1-CG 3.65Å; V154-K178 WeakPolarHBondContact O-CA 3.47Å; R155-K178 HydrophobicContact CG-CB 4.26Å; R155-K178 HydrophobicContact CG-CG 4.18Å
179W95.3Very high89.1Confident4 Ų446.3 Ų46.32%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-112.2143.7170.5-57.5-98.3000110.1V153 V154 A156 K177 L200 L212 L213 W216 V241V153-W179 WeakPolarHBondContact CA-O 3.41Å; V154-W179 HydrophobicContact CB-CE3 4.31Å; V154-W179 HydrophobicContact CG1-CE3 4.16Å; V154-W179 HydrophobicContact CG1-CZ3 4.43Å; V154-W179 PolarHBondContact N-O 3.16Å; V154-W179 PolarHBondContact O-N 2.81Å; A156-W179 HydrophobicContact CB-CH2 3.65Å; A156-W179 HydrophobicContact CB-CZ3 3.6Å; K177-W179 HydrophobicContact CB-CE3 4.49Å; K177-W179 HydrophobicContact CB-CH2 3.85Å; K177-W179 HydrophobicContact CB-CZ2 3.96Å; K177-W179 HydrophobicContact CB-CZ3 4.12Å; K177-W179 HydrophobicContact CD-CD2 4.36Å; K177-W179 HydrophobicContact CD-CH2 4.38Å; K177-W179 HydrophobicContact CD-CZ2 3.61Å; K177-W179 HydrophobicContact CG-CD2 4.06Å; K177-W179 HydrophobicContact CG-CE3 4.4Å; K177-W179 HydrophobicContact CG-CH2 4.22Å; K177-W179 HydrophobicContact CG-CZ2 3.86Å; K177-W179 HydrophobicContact CG-CZ3 4.46Å; W179-L200 HydrophobicContact CH2-CD2 4.26Å; W179-L200 HydrophobicContact CZ3-CD2 4.46Å; W179-L212 HydrophobicContact CB-CD1 4.19Å; W179-L212 HydrophobicContact CB-CD2 3.89Å; W179-L212 HydrophobicContact CD2-CB 4.26Å; W179-L212 HydrophobicContact CD2-CD1 3.88Å; W179-L212 HydrophobicContact CD2-CD2 4.47Å; W179-L212 HydrophobicContact CD2-CG 4.45Å; W179-L212 HydrophobicContact CE3-CD1 3.98Å; W179-L212 HydrophobicContact CG-CB 4.38Å; W179-L212 HydrophobicContact CG-CD1 4.01Å; W179-L212 HydrophobicContact CG-CD2 3.83Å; W179-L212 HydrophobicContact CG-CG 4.3Å; W179-L212 HydrophobicContact CZ2-CB 4.3Å; W179-L213 PolarHBondContact NE1-O 2.88Å; W179-W216 AromaticContact CH2-CH2 3.64Å; W179-W216 HydrophobicContact CH2-CH2 3.64Å; W179-W216 AromaticContact CH2-CZ3 3.62Å; W179-W216 HydrophobicContact CH2-CZ3 3.62Å; W179-W216 AromaticContact CZ2-CH2 3.86Å; W179-W216 HydrophobicContact CZ2-CH2 3.86Å; W179-W216 AromaticContact CZ2-CZ3 3.53Å; W179-W216 HydrophobicContact CZ2-CZ3 3.53Å; W179-V241 HydrophobicContact CB-CG2 4.27Å
180L94.8Very high91.1Very high102 Ų10245.5 Ų45.553%0.53424%0.235SC..EExtended strand (participates in β ladder)trans-113126.4172.9179.166.3000108.4V153V153-L180 HydrophobicContact CG2-CD1 3.98Å
181L92.8Very high92.3Very high6 Ų643.6 Ų43.63%0.03122%0.221CC..  trans-105.1156.6-177.3-66.4158.9000111.2R152 V154 V185 V202 A210 L212 V241R152-L181 HydrophobicContact CB-CB 4.39Å; R152-L181 WeakPolarHBondContact CB-O 3.26Å; R152-L181 WeakPolarHBondContact O-CB 3.36Å; R152-L181 PolarHBondContact O-N 3.39Å; V154-L181 HydrophobicContact CG2-CD1 3.68Å; L181-V185 HydrophobicContact CD1-CG2 3.3Å; L181-V202 HydrophobicContact CD1-CB 4.34Å; L181-V202 HydrophobicContact CD1-CG1 3.71Å; L181-A210 HydrophobicContact CD2-CB 3.72Å; L181-L212 HydrophobicContact CD2-CD2 4.01Å; L181-V241 HydrophobicContact CD2-CG1 3.72Å
182E87.5Confident92.7Very high149 Ų14945 Ų4570%0.69623%0.229SC*.SBendtrans-71.1-41.6177.3-62.3-169.5159.200111.6R152R152-E182 WeakPolarHBondContact CD-O 3.47Å; R152-E182 PolarHBondContact NH1-O 2.96Å
183G88.7Confident92.5Very high14 Ų1439.5 Ų39.514%0.14420%0.204CC..SBendtrans-112.4172.9-177.100000114.6R152 Q204R152-G183 WeakPolarHBondContact CB-O 3.41Å; R152-G183 WeakPolarHBondContact CG-O 3.26Å; G183-Q204 PolarHBondContact O-NE2 2.91Å
184Q91.3Very high91.9Very high126 Ų12642.1 Ų42.159%0.58922%0.221SC*.  trans-64.1141.5178.1-71.3-173.1-15.300111.8P205Q184-P205 HydrophobicContact CB-CG 4.45Å
185V92.2Very high91.4Very high1 Ų147.5 Ų47.51%0.00624%0.243CC..  trans-87.9128.1172.3179.40000108.5K130 V131 V154 L181 L188 V202K130-V185 VanDerWaalsContact CD-O 3.3Å; K130-V185 WeakPolarHBondContact CD-O 3.33Å; K130-V185 WeakPolarHBondContact CE-O 3.45Å; K130-V185 PolarHBondContact NZ-O 2.88Å; V131-V185 HydrophobicContact CG1-CG1 4.07Å; V154-V185 HydrophobicContact CG2-CG1 4.43Å; V154-V185 HydrophobicContact CG2-CG2 3.86Å; L181-V185 HydrophobicContact CD1-CG2 3.3Å; V185-L188 HydrophobicContact CG1-CD2 4.15Å; V185-V202 HydrophobicContact CB-CG1 4.24Å; V185-V202 HydrophobicContact CG1-CG1 3.66Å; V185-V202 HydrophobicContact CG2-CG1 3.84Å
186D92.5Very high90.8Very high19 Ų1945.3 Ų45.310%0.10224%0.239CC..  trans-110.3-45.1172.8-134.516.3000111.1H21 K130 S203 S256 T257 H258H21-D186 PolarHBondContact NE2-O 2.95Å; K130-D186 VanDerWaalsContact CE-OD1 3.25Å; K130-D186 WeakPolarHBondContact CE-OD1 3.31Å; K130-D186 IonicContact NZ-OD1 2.87Å; K130-D186 PolarHBondContact NZ-OD1 2.85Å; D186-S203 VanDerWaalsContact CB-OG 3.29Å; D186-S203 WeakPolarHBondContact CB-OG 3.41Å; D186-S203 PolarHBondContact N-OG 3.5Å; D186-S256 WeakPolarHBondContact OD2-CB 3.25Å; D186-T257 WeakPolarHBondContact CB-O 3.2Å; D186-H258 IonicContact OD2-CE1 3.81Å; D186-H258 PolarHBondContact OD2-CE1 3.08Å; D186-H258 IonicContact OD2-CG 3.1Å; D186-H258 IonicContact OD2-ND1 2.75Å; D186-H258 PolarHBondContact OD2-ND1 2.9Å; D186-H258 IonicContact OD2-NE2 3.58Å; D186-H258 PolarHBondContact OD2-NE2 2.97Å
187S94.1Very high90.5Very high10 Ų1047.9 Ų47.97%0.0725%0.253CS..  trans-142.5152.9-173.255.30000111.4S203 H258 L259S187-S203 PolarHBondContact N-OG 3.24Å; S187-S203 PolarHBondContact O-N 3.36Å; S187-S203 VanDerWaalsContact OG-CB 3.25Å; S187-S203 WeakPolarHBondContact OG-CB 3.43Å; S187-S203 PolarHBondContact OG-OG 2.73Å; S187-H258 WeakPolarHBondContact OG-CA 3.49Å; S187-L259 PolarHBondContact OG-N 3.27Å; S187-L259 PolarHBondContact OG-O 3.37Å
188L96.3Very high90.4Very high16 Ų1648.7 Ų48.78%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-123.2139.3177.8-60.8172000107.9V131 L133 V146 V154 V185 V202V131-L188 HydrophobicContact CG1-CD1 3.8Å; V131-L188 HydrophobicContact CG1-CG 3.76Å; V131-L188 HydrophobicContact CG2-CD1 4.45Å; V131-L188 HydrophobicContact CG2-CG 4.41Å; L133-L188 HydrophobicContact CB-CB 3.96Å; L133-L188 HydrophobicContact CB-CD1 4.26Å; L133-L188 HydrophobicContact CD2-CB 3.97Å; V146-L188 HydrophobicContact CB-CD1 4.32Å; V146-L188 HydrophobicContact CG1-CD1 3.85Å; V146-L188 HydrophobicContact CG1-CD2 4.47Å; V154-L188 HydrophobicContact CG1-CD2 4.24Å; V154-L188 HydrophobicContact CG2-CD2 4.19Å; V185-L188 HydrophobicContact CG1-CD2 4.15Å; L188-V202 HydrophobicContact CD2-CB 4.22Å; L188-V202 HydrophobicContact CD2-CG1 3.9Å; L188-V202 HydrophobicContact CD2-CG2 3.54Å
189S95.6Very high90.3Very high11 Ų1145.7 Ų45.78%0.07725%0.248CC..EExtended strand (participates in β ladder)trans-150.9155170.2-168.70000110.3M201 L259 G261S189-M201 PolarHBondContact N-O 3.19Å; S189-M201 WeakPolarHBondContact O-CA 3.38Å; S189-M201 PolarHBondContact O-N 3.44Å; S189-M201 VanDerWaalsContact O-O 3.11Å; S189-L259 VanDerWaalsContact CB-CD2 3.46Å; S189-G261 VanDerWaalsContact OG-CA 3.28Å; S189-G261 WeakPolarHBondContact OG-CA 3.48Å; S189-G261 PolarHBondContact OG-N 3.3Å
190V94.4Very high90.2Very high13 Ų1345.6 Ų45.68%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-96.1142.6162.7178.50000108.8L133 S135 I137 P198 E199 L200 S262L133-V190 HydrophobicContact CD2-CG2 4.01Å; S135-V190 WeakPolarHBondContact OG-CG2 3.36Å; I137-V190 HydrophobicContact CG2-CG2 3.87Å; V190-P198 HydrophobicContact CG1-CB 3.48Å; V190-P198 VanDerWaalsContact CG1-CB 3.48Å; V190-E199 WeakPolarHBondContact CA-O 3.36Å; V190-L200 HydrophobicContact CG2-CD1 4.45Å; V190-S262 PolarHBondContact O-OG 3.26Å
191N93.1Very high90.2Very high1 Ų140.8 Ų40.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-134.3138.2170-169.857.9000109.9G193 E199 M201 S262 G275 L276N191-G193 PolarHBondContact O-N 3.38Å; N191-E199 PolarHBondContact N-O 3.44Å; N191-E199 WeakPolarHBondContact O-CB 3.45Å; N191-E199 PolarHBondContact O-N 3.47Å; N191-M201 HydrophobicContact CB-CG 4.27Å; N191-M201 HydrophobicContact CB-SD 3.36Å; N191-M201 WeakPolarHBondContact CB-SD 3.47Å; N191-S262 PolarHBondContact OD1-N 3.02Å; N191-G275 PolarHBondContact ND2-O 3.03Å; N191-G275 VanDerWaalsContact ND2-O 3.1Å; N191-G275 VanDerWaalsContact OD1-C 3.25Å; N191-G275 VanDerWaalsContact OD1-CA 3.32Å; N191-G275 WeakPolarHBondContact OD1-CA 3.4Å; N191-L276 PolarHBondContact OD1-O 3Å
192P90.3Very high90.4Very high39 Ų3940.5 Ų40.525%0.25322%0.221SC..EExtended strand (participates in β ladder)trans-61.6117.7169.2-22.228.7000110.8L197 S262 G275 S291P192-L197 WeakPolarHBondContact CA-O 3.4Å; P192-S262 VanDerWaalsContact CD-OG 3.28Å; P192-S262 WeakPolarHBondContact CD-OG 3.26Å; P192-G275 PolarHBondContact O-N 3.28Å; P192-G275 VanDerWaalsContact O-N 3.1Å; P192-S291 WeakPolarHBondContact O-CB 3.3Å
193G85.2Confident90.7Very high1 Ų133.5 Ų33.51%0.0119%0.188CC..  trans-65.1-176.6176.400000113N191 E195 G196 L197 E199N191-G193 PolarHBondContact O-N 3.38Å; G193-E195 PolarHBondContact O-N 2.85Å; G193-G196 PolarHBondContact O-N 3.23Å; G193-L197 PolarHBondContact N-O 3.25Å; G193-E199 VanDerWaalsContact CA-CD 3.42Å; G193-E199 WeakPolarHBondContact CA-OE2 3.35Å
194P80.2Confident91Very high58 Ų5833.2 Ų33.238%0.37718%0.183SC..THydrogen-bonded Turntrans-58.8-28.8179.4-2534.5000114.2
195E80.7Confident91Very high161 Ų16128.8 Ų28.875%0.75217%0.166SC*.THydrogen-bonded Turntrans-90.3-6.2178.9-58.4-170.1170.100113.1G193 L197G193-E195 PolarHBondContact O-N 2.85Å; E195-L197 VanDerWaalsContact C-N 3.34Å
196G81.9Confident90.8Very high34 Ų3429.3 Ų29.335%0.35117%0.171SC..SBendtrans83.63.8-176.100000115G193 K273G193-G196 PolarHBondContact O-N 3.23Å; G196-K273 VanDerWaalsContact CA-O 3.28Å; G196-K273 WeakPolarHBondContact CA-O 3.1Å
197L86.2Confident90.6Very high104 Ų10428.4 Ų28.455%0.54517%0.167SC..  trans-75.9148.4169.7-65.6176.1000110.5P192 G193 E195 E199P192-L197 WeakPolarHBondContact CA-O 3.4Å; G193-L197 PolarHBondContact N-O 3.25Å; E195-L197 VanDerWaalsContact C-N 3.34Å; L197-E199 PolarHBondContact O-N 3.27Å
198P90.6Very high90.4Very high36 Ų3628 Ų2823%0.23416%0.163CC..EExtended strand (participates in β ladder)trans-66.3130.1176.427.2-32.9000110.8V190V190-P198 HydrophobicContact CG1-CB 3.48Å; V190-P198 VanDerWaalsContact CG1-CB 3.48Å
199E91.9Very high90.3Very high55 Ų5527.4 Ų27.426%0.25716%0.16SC..EExtended strand (participates in β ladder)trans-114.2123.6171.9-68.5178.6168.500109.3V190 N191 G193 L197 M201 I211V190-E199 WeakPolarHBondContact CA-O 3.36Å; N191-E199 PolarHBondContact N-O 3.44Å; N191-E199 WeakPolarHBondContact O-CB 3.45Å; N191-E199 PolarHBondContact O-N 3.47Å; G193-E199 VanDerWaalsContact CA-CD 3.42Å; G193-E199 WeakPolarHBondContact CA-OE2 3.35Å; L197-E199 PolarHBondContact O-N 3.27Å; E199-M201 PolarHBondContact O-N 3.18Å; E199-I211 HydrophobicContact CB-CG2 4.23Å
200L94.9Very high90.2Very high1 Ų126.9 Ų26.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-76.5114.2175177.660.2000109.8L133 I137 V146 W179 V190 I211 L212L133-L200 HydrophobicContact CD2-CD1 4.01Å; I137-L200 HydrophobicContact CD1-CD2 4.35Å; I137-L200 HydrophobicContact CG2-CD1 4.35Å; V146-L200 HydrophobicContact CG1-CD1 4.35Å; V146-L200 HydrophobicContact CG1-CD2 4Å; V146-L200 HydrophobicContact CG2-CD1 4.34Å; V146-L200 HydrophobicContact CG2-CD2 4.13Å; W179-L200 HydrophobicContact CH2-CD2 4.26Å; W179-L200 HydrophobicContact CZ3-CD2 4.46Å; V190-L200 HydrophobicContact CG2-CD1 4.45Å; L200-I211 WeakPolarHBondContact O-CA 3.35Å; L200-L212 HydrophobicContact CB-CB 4.3Å; L200-L212 HydrophobicContact CD2-CB 4.01Å; L200-L212 HydrophobicContact CD2-CD1 3.87Å; L200-L212 HydrophobicContact CD2-CG 4.46Å; L200-L212 HydrophobicContact CG-CB 4.15Å; L200-L212 HydrophobicContact CG-CD1 4.26Å; L200-L212 PolarHBondContact O-N 2.99Å
201M94.8Very high90.1Very high2 Ų226.9 Ų26.91%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-107.4140.5-179.7-54.9-177.782.900111S189 N191 E199 Y209 A210 L259 F277S189-M201 PolarHBondContact N-O 3.19Å; S189-M201 WeakPolarHBondContact O-CA 3.38Å; S189-M201 PolarHBondContact O-N 3.44Å; S189-M201 VanDerWaalsContact O-O 3.11Å; N191-M201 HydrophobicContact CB-CG 4.27Å; N191-M201 HydrophobicContact CB-SD 3.36Å; N191-M201 WeakPolarHBondContact CB-SD 3.47Å; E199-M201 PolarHBondContact O-N 3.18Å; M201-Y209 HydrophobicContact CE-CD2 3.39Å; M201-Y209 HydrophobicContact CE-CE2 3.4Å; M201-Y209 VanDerWaalsContact CE-CE2 3.4Å; M201-Y209 HydrophobicContact CE-CG 4.11Å; M201-A210 WeakPolarHBondContact CA-O 3.42Å; M201-L259 HydrophobicContact CB-CD1 4.22Å; M201-L259 HydrophobicContact CB-CD2 3.8Å; M201-L259 HydrophobicContact CE-CD1 4.02Å; M201-L259 HydrophobicContact SD-CD1 4.48Å; M201-F277 HydrophobicContact CE-CD1 3.91Å; M201-F277 HydrophobicContact CE-CD2 3.79Å; M201-F277 HydrophobicContact CE-CE1 3.88Å; M201-F277 HydrophobicContact CE-CE2 3.76Å; M201-F277 HydrophobicContact CE-CG 3.85Å; M201-F277 HydrophobicContact CE-CZ 3.81Å; M201-F277 HydrophobicContact SD-CB 4.32Å; M201-F277 HydrophobicContact SD-CD1 4.26Å; M201-F277 HydrophobicContact SD-CG 4.15Å
202V95.8Very high90.2Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-129.8132.6178.7-174.50000109.8V154 L181 V185 L188 Y209 A210 L212V154-V202 HydrophobicContact CG2-CG1 4.3Å; V154-V202 HydrophobicContact CG2-CG2 4.32Å; L181-V202 HydrophobicContact CD1-CB 4.34Å; L181-V202 HydrophobicContact CD1-CG1 3.71Å; V185-V202 HydrophobicContact CB-CG1 4.24Å; V185-V202 HydrophobicContact CG1-CG1 3.66Å; V185-V202 HydrophobicContact CG2-CG1 3.84Å; L188-V202 HydrophobicContact CD2-CB 4.22Å; L188-V202 HydrophobicContact CD2-CG1 3.9Å; L188-V202 HydrophobicContact CD2-CG2 3.54Å; V202-Y209 CarbonylContact O-C 3.58Å; V202-Y209 WeakPolarHBondContact O-CA 3.41Å; V202-Y209 WeakPolarHBondContact O-CB 3.47Å; V202-A210 PolarHBondContact N-O 3.47Å; V202-A210 PolarHBondContact O-N 2.86Å; V202-L212 HydrophobicContact CG2-CD1 3.44Å; V202-L212 VanDerWaalsContact CG2-CD1 3.44Å; V202-L212 HydrophobicContact CG2-CG 3.77Å
203S94.8Very high90.1Very high1 Ų128 Ų281%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-69.1143.5177.267.90000112D186 S187 T257D186-S203 VanDerWaalsContact CB-OG 3.29Å; D186-S203 WeakPolarHBondContact CB-OG 3.41Å; D186-S203 PolarHBondContact N-OG 3.5Å; S187-S203 PolarHBondContact N-OG 3.24Å; S187-S203 PolarHBondContact O-N 3.36Å; S187-S203 VanDerWaalsContact OG-CB 3.25Å; S187-S203 WeakPolarHBondContact OG-CB 3.43Å; S187-S203 PolarHBondContact OG-OG 2.73Å; S203-T257 WeakPolarHBondContact CB-O 3.34Å; S203-T257 PolarHBondContact OG-O 3.4Å
204Q93.9Very high90.2Very high8 Ų828.8 Ų28.84%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-127152.1175.2-68.5-69.2-77.100110.2G183 G208 A210 L243 T257G183-Q204 PolarHBondContact O-NE2 2.91Å; Q204-G208 PolarHBondContact N-O 3.01Å; Q204-G208 PolarHBondContact O-N 3.05Å; Q204-A210 HydrophobicContact CG-CB 4.09Å; Q204-L243 HydrophobicContact CB-CD1 4.3Å; Q204-L243 HydrophobicContact CG-CD1 3.86Å; Q204-T257 WeakPolarHBondContact O-CB 3.49Å; Q204-T257 PolarHBondContact O-OG1 3Å
205P91.4Very high90.2Very high34 Ų3427.9 Ų27.922%0.22116%0.158CC..THydrogen-bonded Turntrans-56151.5178.9-26.336.6000113.3Q184 K253 V255Q184-P205 HydrophobicContact CB-CG 4.45Å; P205-K253 CarbonylContact C-O 3.22Å; P205-K253 WeakPolarHBondContact CB-O 3.48Å; P205-V255 CarbonylContact C-O 3.55Å; P205-V255 VanDerWaalsContact CA-O 3.24Å; P205-V255 WeakPolarHBondContact CA-O 3.39Å
206G87.8Confident90.2Very high12 Ų1222.5 Ų22.512%0.12413%0.131CC..THydrogen-bonded Turntrans7734176.300000114.7G208 V255G206-G208 PolarHBondContact O-N 2.89Å; G206-V255 PolarHBondContact N-O 2.66Å
207C88.6Confident89.5Confident0 Ų023.9 Ų23.90%013%0.132CC..THydrogen-bonded Turntrans61.528.2-175.4-159.10000113.3T246 H251 T257 T281C207-T246 WeakPolarHBondContact O-CG2 3.3Å; C207-T246 PolarHBondContact O-OG1 2.5Å; C207-T246 PolarHBondContact SG-OG1 2.67Å; C207-T246 VanDerWaalsContact SG-OG1 3.41Å; C207-H251 VanDerWaalsContact CB-CD2 3.45Å; C207-H251 WeakPolarHBondContact CB-CD2 3.27Å; C207-T257 WeakPolarHBondContact CA-OG1 3.17Å; C207-T257 PolarHBondContact N-OG1 2.8Å; C207-T281 HydrophobicContact CB-CG2 3.59Å
208G90.9Very high88Confident0 Ų024.3 Ų24.30%013%0.131CC..EExtended strand (participates in β ladder)trans-95.1166.717400000112.2Q204 G206 H244Q204-G208 PolarHBondContact N-O 3.01Å; Q204-G208 PolarHBondContact O-N 3.05Å; G206-G208 PolarHBondContact O-N 2.89Å; G208-H244 WeakPolarHBondContact CA-O 3.31Å
209Y93.6Very high85.9Confident4 Ų430.1 Ų30.12%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-146.5160.1167.764.3-84.4000109.8M201 V202 I211 H244 T246 L259 F277 L279 E293M201-Y209 HydrophobicContact CE-CD2 3.39Å; M201-Y209 HydrophobicContact CE-CE2 3.4Å; M201-Y209 VanDerWaalsContact CE-CE2 3.4Å; M201-Y209 HydrophobicContact CE-CG 4.11Å; V202-Y209 CarbonylContact O-C 3.58Å; V202-Y209 WeakPolarHBondContact O-CA 3.41Å; V202-Y209 WeakPolarHBondContact O-CB 3.47Å; Y209-I211 HydrophobicContact CD2-CG1 4.26Å; Y209-I211 HydrophobicContact CE2-CD1 4.24Å; Y209-I211 HydrophobicContact CE2-CG1 4.05Å; Y209-H244 HydrophobicContact CD1-CB 4.21Å; Y209-H244 HydrophobicContact CD2-CB 4.09Å; Y209-H244 HydrophobicContact CE1-CB 3.73Å; Y209-H244 HydrophobicContact CE2-CB 3.59Å; Y209-H244 AromaticContact CE2-CG 3.78Å; Y209-H244 AromaticContact CE2-ND1 3.69Å; Y209-H244 HydrophobicContact CG-CB 4.37Å; Y209-H244 AromaticContact CZ-CG 3.87Å; Y209-H244 PolarHBondContact N-O 2.77Å; Y209-H244 PolarHBondContact O-N 2.84Å; Y209-T246 HydrophobicContact CD1-CG2 4.18Å; Y209-T246 HydrophobicContact CE1-CG2 3.92Å; Y209-L259 HydrophobicContact CG-CD1 4.16Å; Y209-F277 HydrophobicContact CD1-CE2 4.08Å; Y209-F277 AromaticContact CE1-CE2 3.69Å; Y209-F277 HydrophobicContact CE1-CE2 3.69Å; Y209-F277 AromaticContact CE1-CZ 3.79Å; Y209-F277 HydrophobicContact CE1-CZ 3.79Å; Y209-F277 HydrophobicContact CE2-CZ 4.28Å; Y209-F277 AromaticContact CZ-CE2 3.95Å; Y209-F277 AromaticContact CZ-CZ 3.62Å; Y209-L279 HydrophobicContact CD1-CD1 4.01Å; Y209-L279 HydrophobicContact CE1-CD1 4.47Å; Y209-E293 WeakPolarHBondContact OH-CG 3.46Å
210A93.3Very high83.5Confident0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-121.6141.1172.900000109.6L181 M201 V202 Q204 V241 V242 L243L181-A210 HydrophobicContact CD2-CB 3.72Å; M201-A210 WeakPolarHBondContact CA-O 3.42Å; V202-A210 PolarHBondContact N-O 3.47Å; V202-A210 PolarHBondContact O-N 2.86Å; Q204-A210 HydrophobicContact CG-CB 4.09Å; A210-V241 HydrophobicContact CB-CG1 3.93Å; A210-V242 CarbonylContact C-O 3.55Å; A210-V242 VanDerWaalsContact CA-O 3.31Å; A210-V242 WeakPolarHBondContact CA-O 3.15Å; A210-L243 HydrophobicContact CB-CD1 4.36Å
211I93.3Very high80.8Confident14 Ų1439.3 Ų39.37%0.07221%0.214CC..EExtended strand (participates in β ladder)trans-96.3127.2169.5-59.2178.2000107.4E199 L200 Y209 L213 V242E199-I211 HydrophobicContact CB-CG2 4.23Å; L200-I211 WeakPolarHBondContact O-CA 3.35Å; Y209-I211 HydrophobicContact CD2-CG1 4.26Å; Y209-I211 HydrophobicContact CE2-CD1 4.24Å; Y209-I211 HydrophobicContact CE2-CG1 4.05Å; I211-L213 HydrophobicContact CG2-CD2 4.4Å; I211-V242 HydrophobicContact CB-CB 4.46Å; I211-V242 PolarHBondContact N-O 3.21Å; I211-V242 PolarHBondContact O-N 2.89Å
212L93.5Very high77.9Confident4 Ų444.1 Ų44.12%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-98.9119.3180-62.7-172.3000109.9V154 W179 L181 L200 V202 V241V154-L212 HydrophobicContact CB-CD1 3.91Å; V154-L212 HydrophobicContact CG1-CD1 3.77Å; V154-L212 HydrophobicContact CG2-CD1 4.27Å; W179-L212 HydrophobicContact CB-CD1 4.19Å; W179-L212 HydrophobicContact CB-CD2 3.89Å; W179-L212 HydrophobicContact CD2-CB 4.26Å; W179-L212 HydrophobicContact CD2-CD1 3.88Å; W179-L212 HydrophobicContact CD2-CD2 4.47Å; W179-L212 HydrophobicContact CD2-CG 4.45Å; W179-L212 HydrophobicContact CE3-CD1 3.98Å; W179-L212 HydrophobicContact CG-CB 4.38Å; W179-L212 HydrophobicContact CG-CD1 4.01Å; W179-L212 HydrophobicContact CG-CD2 3.83Å; W179-L212 HydrophobicContact CG-CG 4.3Å; W179-L212 HydrophobicContact CZ2-CB 4.3Å; L181-L212 HydrophobicContact CD2-CD2 4.01Å; L200-L212 HydrophobicContact CB-CB 4.3Å; L200-L212 HydrophobicContact CD2-CB 4.01Å; L200-L212 HydrophobicContact CD2-CD1 3.87Å; L200-L212 HydrophobicContact CD2-CG 4.46Å; L200-L212 HydrophobicContact CG-CB 4.15Å; L200-L212 HydrophobicContact CG-CD1 4.26Å; L200-L212 PolarHBondContact O-N 2.99Å; V202-L212 HydrophobicContact CG2-CD1 3.44Å; V202-L212 VanDerWaalsContact CG2-CD1 3.44Å; V202-L212 HydrophobicContact CG2-CG 3.77Å; L212-V241 HydrophobicContact CD2-CB 4.4Å; L212-V241 HydrophobicContact CD2-CG1 4.13Å; L212-V241 HydrophobicContact CD2-CG2 3.83Å
213L89.9Confident74.9Confident60 Ų6053.8 Ų53.831%0.31429%0.288SS..PPolyproline II helixtrans-85.1125.3-178.4-58.3179.8000111.4K177 W179 I211 T215 D240 V242K177-L213 PolarHBondContact NZ-O 2.78Å; W179-L213 PolarHBondContact NE1-O 2.88Å; I211-L213 HydrophobicContact CG2-CD2 4.4Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 HydrophobicContact CB-CG2 4.36Å; L213-T215 PolarHBondContact O-N 3.14Å; L213-T215 VanDerWaalsContact O-N 3.08Å; L213-D240 PolarHBondContact N-O 2.95Å; L213-V242 HydrophobicContact CD1-CG2 4.02Å; L213-V242 HydrophobicContact CG-CG2 4.23Å
214C86.8Confident71.9Confident16 Ų1658.4 Ų58.411%0.10832%0.32CS..  trans-8070.9174.8-60.40000110.7I137 D138 W216 T217I137-C214 PolarHBondContact O-SG 3.23Å; I137-C214 VanDerWaalsContact O-SG 3.42Å; D138-C214 HydrophobicContact CB-CB 4.17Å; C214-W216 HydrophobicContact CB-CD2 4.29Å; C214-W216 HydrophobicContact CB-CE3 4.29Å; C214-W216 HydrophobicContact CB-CH2 3.58Å; C214-W216 HydrophobicContact CB-CZ2 3.57Å; C214-W216 HydrophobicContact CB-CZ3 3.94Å; C214-W216 PolarHBondContact O-N 2.84Å; C214-W216 VanDerWaalsContact O-N 3.09Å; C214-W216 WeakPolarHBondContact SG-CH2 3.35Å; C214-T217 PolarHBondContact O-N 3.31Å; C214-T217 PolarHBondContact O-OG1 3.49Å
215T79.9Confident69.3Low40 Ų4067 Ų6725%0.24536%0.361CS..G310 helixtrans-66.5-12.1-173.160.30000115.1K177 L213 T217 Q218 D240K177-T215 VanDerWaalsContact NZ-CG2 3.28Å; K177-T215 PolarHBondContact NZ-OG1 2.83Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 HydrophobicContact CB-CG2 4.36Å; L213-T215 PolarHBondContact O-N 3.14Å; L213-T215 VanDerWaalsContact O-N 3.08Å; T215-T217 PolarHBondContact O-N 3.01Å; T215-Q218 PolarHBondContact O-N 3.32Å; T215-D240 WeakPolarHBondContact CG2-OD1 3.33Å
216W79.9Confident66.4Low48 Ų4873.4 Ų73.418%0.18239%0.393CS..G310 helixtrans-69.2-20.6177.56183.9000112.5I137 D138 A156 L176 K177 W179 C214I137-W216 HydrophobicContact CD1-CH2 3.79Å; I137-W216 HydrophobicContact CD1-CZ2 3.92Å; I137-W216 HydrophobicContact CG1-CH2 4.49Å; I137-W216 HydrophobicContact CG1-CZ2 4.21Å; D138-W216 HydrophobicContact CB-CZ2 4.18Å; D138-W216 PolarHBondContact OD2-NE1 3.08Å; A156-W216 HydrophobicContact CB-CH2 4.26Å; L176-W216 HydrophobicContact CB-CE3 4.49Å; L176-W216 HydrophobicContact CD1-CZ2 3.92Å; K177-W216 HydrophobicContact CB-CE3 3.71Å; K177-W216 HydrophobicContact CB-CH2 4.39Å; K177-W216 HydrophobicContact CB-CZ3 3.34Å; K177-W216 HydrophobicContact CD-CE3 3.74Å; K177-W216 HydrophobicContact CD-CZ3 3.59Å; K177-W216 HydrophobicContact CG-CE3 4.35Å; K177-W216 HydrophobicContact CG-CZ3 4.05Å; W179-W216 AromaticContact CH2-CH2 3.64Å; W179-W216 HydrophobicContact CH2-CH2 3.64Å; W179-W216 AromaticContact CH2-CZ3 3.62Å; W179-W216 HydrophobicContact CH2-CZ3 3.62Å; W179-W216 AromaticContact CZ2-CH2 3.86Å; W179-W216 HydrophobicContact CZ2-CH2 3.86Å; W179-W216 AromaticContact CZ2-CZ3 3.53Å; W179-W216 HydrophobicContact CZ2-CZ3 3.53Å; C214-W216 HydrophobicContact CB-CD2 4.29Å; C214-W216 HydrophobicContact CB-CE3 4.29Å; C214-W216 HydrophobicContact CB-CH2 3.58Å; C214-W216 HydrophobicContact CB-CZ2 3.57Å; C214-W216 HydrophobicContact CB-CZ3 3.94Å; C214-W216 PolarHBondContact O-N 2.84Å; C214-W216 VanDerWaalsContact O-N 3.09Å; C214-W216 WeakPolarHBondContact SG-CH2 3.35Å
217T67.8Low63.9Low62 Ų6280.9 Ų80.938%0.3843%0.43SS..G310 helixtrans-78.9-21.3172.858.40000113D138 C214 T215D138-T217 HydrophobicContact CB-CG2 3.71Å; C214-T217 PolarHBondContact O-N 3.31Å; C214-T217 PolarHBondContact O-OG1 3.49Å; T215-T217 PolarHBondContact O-N 3.01Å
218Q55.8Low61.2Low113 Ų11384.9 Ų84.953%0.52846%0.463SS..G310 helixtrans-79.6-20.5-178.8-69.5-179.1-4.800113T215 D220 S221T215-Q218 PolarHBondContact O-N 3.32Å; Q218-D220 PolarHBondContact O-N 3Å; Q218-S221 PolarHBondContact O-N 2.9Å; Q218-S221 VanDerWaalsContact O-N 3.11Å; Q218-S221 PolarHBondContact O-OG 3.04Å
219Q46.1Very low58.5Low159 Ų15991 Ų9174%0.74350%0.503SS*.G310 helixtrans-65.3-20.1-180-78.7-177.3-17.200113.6S221Q219-S221 VanDerWaalsContact C-N 3.34Å
220D40.2Very low55.5Low160 Ų16095.6 Ų95.686%0.85654%0.541SS*.G310 helixtrans-84.4-2.1175.5-77.6-24000114Q218Q218-D220 PolarHBondContact O-N 3Å
221S39.1Very low52.5Low89 Ų89101.7 Ų101.762%0.62258%0.579SS**THydrogen-bonded Turntrans-119.6-3.2-172.565.70000116.8Q218 Q219Q218-S221 PolarHBondContact O-N 2.9Å; Q218-S221 VanDerWaalsContact O-N 3.11Å; Q218-S221 PolarHBondContact O-OG 3.04Å; Q219-S221 VanDerWaalsContact C-N 3.34Å
222T33Very low49.7Very low102 Ų102107.6 Ų107.663%0.62662%0.618SS**  trans-145.478174.5570000112.1S224T222-S224 PolarHBondContact O-N 2.83Å
223E34Very low46.9Very low204 Ų204111.2 Ų111.295%0.95366%0.656SS**  trans-73.788.2144.6-78.2-171.3164.300107.5
224S31.3Very low44.2Very low97 Ų97113.4 Ų113.468%0.67868%0.677SS**  trans-133.3107.8156.355.80000107.2T222 D226T222-S224 PolarHBondContact O-N 2.83Å; S224-D226 PolarHBondContact O-N 2.95Å
225E40.1Very low41.9Very low189 Ų189121.2 Ų121.288%0.88372%0.717SS**  trans-45.5121.2175.7-60174.1150.200111.3
226D30.3Very low39.8Very low169 Ų169121.2 Ų121.290%0.90473%0.726SS**  trans-148.699.2143.1-102.8-24.2000108.2S224S224-D226 PolarHBondContact O-N 2.95Å
227D35.4Very low38Very low169 Ų169124.8 Ų124.890%0.90476%0.755SS**  trans-83.6109.6-176.5-150.95.6000108.7
228A30.1Very low37.3Very low83 Ų83125.1 Ų125.169%0.68676%0.76SS**  trans-139.6127.2167.400000110.3A230A228-A230 PolarHBondContact O-N 2.73Å
229P35.6Very low37.8Very low129 Ų129131 Ų13184%0.83878%0.777SS**PPolyproline II helixtrans-72.2129-170.527.1-32000111.5T231P229-T231 PolarHBondContact O-N 2.81Å
230A31Very low39.6Very low100 Ų100125.7 Ų125.783%0.82675%0.754SS**PPolyproline II helixtrans-64.5123176.100000111.7A228A228-A230 PolarHBondContact O-N 2.73Å
231T28.9Very low41.9Very low129 Ų129119.8 Ų119.879%0.79172%0.724SS**PPolyproline II helixtrans-70.9134.5163.76.50000109.9P229 G233P229-T231 PolarHBondContact O-N 2.81Å; T231-G233 PolarHBondContact O-N 2.79Å
232P34.4Very low44.3Very low137 Ų137118.2 Ų118.289%0.8971%0.71SS**SBendtrans-80.5113.9179.630.7-29.7000109.9
233G36Very low46.9Very low80 Ų80116.7 Ų116.783%0.82570%0.698SS**  trans137.939.7169.200000117.2T231T231-G233 PolarHBondContact O-N 2.79Å
234S31.6Very low49.3Very low106 Ų106108.4 Ų108.474%0.74166%0.659SS**  trans-128.688.1170.4171.70000110.9G236S234-G236 PolarHBondContact O-N 2.8Å
235D39.7Very low51.7Low180 Ų180109.9 Ų109.996%0.96366%0.659SS**  trans-68.682.3156.9-83.4-24.7000108.6
236G34.6Very low53.3Low41 Ų41101.8 Ų101.842%0.42362%0.622SS.*PPolyproline II helixtrans-82.7160.6161.500000110.3S234 S238S234-G236 PolarHBondContact O-N 2.8Å; G236-S238 PolarHBondContact O-N 2.61Å; G236-S238 VanDerWaalsContact O-N 3.1Å
237P42.5Very low54.9Low123 Ų12398.8 Ų98.880%0.79962%0.615SS**PPolyproline II helixtrans-55.1123.3172.824.6-32000108.1R239P237-R239 PolarHBondContact O-N 2.98Å
238S52.9Low55.9Low69 Ų6993.7 Ų93.748%0.48360%0.602SS.*PPolyproline II helixtrans-54.5118.9-179.3-54.10000108.1G236 D240 V241G236-S238 PolarHBondContact O-N 2.61Å; G236-S238 VanDerWaalsContact O-N 3.1Å; S238-D240 PolarHBondContact O-N 3.05Å; S238-V241 PolarHBondContact O-N 2.81Å
239R66.5Low57.2Low236 Ų236100.5 Ų100.589%0.89161%0.61SS**THydrogen-bonded Turntrans-56.2-5.1178.2-74.7-178169-178.8-3.3113.9P237P237-R239 PolarHBondContact O-N 2.98Å
240D83.9Confident58.2Low47 Ų47102.8 Ų102.825%0.25161%0.613SS.*THydrogen-bonded Turntrans-91.6-7.9-173-59.2-9.7000113.7K177 L213 T215 S238K177-D240 WeakPolarHBondContact CE-OD2 3.2Å; K177-D240 IonicContact NZ-OD1 2.95Å; K177-D240 IonicContact NZ-OD2 3.61Å; K177-D240 PolarHBondContact NZ-OD2 3.08Å; L213-D240 PolarHBondContact N-O 2.95Å; T215-D240 WeakPolarHBondContact CG2-OD1 3.33Å; S238-D240 PolarHBondContact O-N 3.05Å
241V88.4Confident59.8Low36 Ų3699.4 Ų99.422%0.21858%0.58CS.*EExtended strand (participates in β ladder)trans-124.1119-178.3-178.20000108.8W179 L181 A210 L212 S238W179-V241 HydrophobicContact CB-CG2 4.27Å; L181-V241 HydrophobicContact CD2-CG1 3.72Å; A210-V241 HydrophobicContact CB-CG1 3.93Å; L212-V241 HydrophobicContact CD2-CB 4.4Å; L212-V241 HydrophobicContact CD2-CG1 4.13Å; L212-V241 HydrophobicContact CD2-CG2 3.83Å; S238-V241 PolarHBondContact O-N 2.81Å
242V89.1Confident61.8Low57 Ų5798 Ų9835%0.34557%0.568SS.*EExtended strand (participates in β ladder)trans-107.4105.9176.9-165.60000109A210 I211 L213 H244A210-V242 CarbonylContact C-O 3.55Å; A210-V242 VanDerWaalsContact CA-O 3.31Å; A210-V242 WeakPolarHBondContact CA-O 3.15Å; I211-V242 HydrophobicContact CB-CB 4.46Å; I211-V242 PolarHBondContact N-O 3.21Å; I211-V242 PolarHBondContact O-N 2.89Å; L213-V242 HydrophobicContact CD1-CG2 4.02Å; L213-V242 HydrophobicContact CG-CG2 4.23Å; V242-H244 WeakPolarHBondContact CG1-CE1 3.07Å; V242-H244 WeakPolarHBondContact CG1-NE2 3.44Å; V242-H244 PolarHBondContact O-CE1 2.78Å; V242-H244 PolarHBondContact O-ND1 2.79Å; V242-H244 VanDerWaalsContact O-ND1 3.16Å
243L87.6Confident63.8Low69 Ų6999.7 Ų99.736%0.36156%0.561SS.*EExtended strand (participates in β ladder)trans-82.7127.7-179.5-177.170.2000111Q204 A210Q204-L243 HydrophobicContact CB-CD1 4.3Å; Q204-L243 HydrophobicContact CG-CD1 3.86Å; A210-L243 HydrophobicContact CB-CD1 4.36Å
244H85.4Confident66Low31 Ų31102.7 Ų102.714%0.14456%0.559CS.*EExtended strand (participates in β ladder)trans-118121176.2-61.193.7000110.1G208 Y209 V242 E293G208-H244 WeakPolarHBondContact CA-O 3.31Å; Y209-H244 HydrophobicContact CD1-CB 4.21Å; Y209-H244 HydrophobicContact CD2-CB 4.09Å; Y209-H244 HydrophobicContact CE1-CB 3.73Å; Y209-H244 HydrophobicContact CE2-CB 3.59Å; Y209-H244 AromaticContact CE2-CG 3.78Å; Y209-H244 AromaticContact CE2-ND1 3.69Å; Y209-H244 HydrophobicContact CG-CB 4.37Å; Y209-H244 AromaticContact CZ-CG 3.87Å; Y209-H244 PolarHBondContact N-O 2.77Å; Y209-H244 PolarHBondContact O-N 2.84Å; V242-H244 WeakPolarHBondContact CG1-CE1 3.07Å; V242-H244 WeakPolarHBondContact CG1-NE2 3.44Å; V242-H244 PolarHBondContact O-CE1 2.78Å; V242-H244 PolarHBondContact O-ND1 2.79Å; V242-H244 VanDerWaalsContact O-ND1 3.16Å; H244-E293 IonicContact CD2-OE1 3.45Å; H244-E293 PolarHBondContact CD2-OE1 2.75Å; H244-E293 IonicContact CD2-OE2 3.27Å; H244-E293 PolarHBondContact CD2-OE2 2.82Å; H244-E293 IonicContact CE1-OE1 2.87Å; H244-E293 PolarHBondContact CE1-OE1 3.19Å; H244-E293 IonicContact CG-OE1 2.73Å; H244-E293 IonicContact ND1-OE1 3.73Å; H244-E293 IonicContact NE2-OE1 3.23Å; H244-E293 PolarHBondContact NE2-OE1 2.73Å; H244-E293 IonicContact NE2-OE2 3.23Å
245L81Confident68.8Low127 Ų12798.7 Ų98.767%0.66553%0.53SS*.EExtended strand (participates in β ladder)trans-99.3119.4172.8-66174.9000108.1S247L245-S247 PolarHBondContact O-N 2.91Å
246T75.3Confident71.2Confident20 Ų2091.9 Ų91.912%0.12350%0.496CS..PPolyproline II helixtrans-68.1129.2-179.359.90000111C207 Y209 L279 K287 M289C207-T246 WeakPolarHBondContact O-CG2 3.3Å; C207-T246 PolarHBondContact O-OG1 2.5Å; C207-T246 PolarHBondContact SG-OG1 2.67Å; C207-T246 VanDerWaalsContact SG-OG1 3.41Å; Y209-T246 HydrophobicContact CD1-CG2 4.18Å; Y209-T246 HydrophobicContact CE1-CG2 3.92Å; T246-L279 HydrophobicContact CG2-CD1 3.48Å; T246-L279 VanDerWaalsContact CG2-CD1 3.48Å; T246-K287 PolarHBondContact OG1-NZ 3.45Å; T246-M289 HydrophobicContact CG2-CE 4.26Å; T246-M289 HydrophobicContact CG2-SD 4.42Å
247S63.5Low74Confident106 Ų10690 Ų9074%0.74148%0.476SS*.SBendtrans-58.4139.4172.4-64.70000110.8L245 K287L245-S247 PolarHBondContact O-N 2.91Å; S247-K287 PolarHBondContact O-NZ 3.04Å
248G56.3Low76.5Confident62 Ų6285.1 Ų85.164%0.63944%0.443SS*.SBendtrans153.9-172-178.100000113.3
249R56.6Low78.5Confident225 Ų22582.1 Ų82.185%0.84942%0.421SS*.SBendtrans-50.2155.1174.7-85.9-176.7177.1-172.6-0.5111.5H251R249-H251 VanDerWaalsContact C-N 3.34Å; R249-H251 PolarHBondContact O-N 2.84Å
250I56.1Low79.8Confident177 Ų17772.1 Ų72.191%0.90839%0.385SS*.  trans-59.197.9172.7-57.9170.2000107.9
251H65.3Low80.3Confident29 Ų2970 Ų7013%0.13437%0.374CS..  trans-75.4145.9171.4-70.5-47.1000109.3C207 R249 K253 T285C207-H251 VanDerWaalsContact CB-CD2 3.45Å; C207-H251 WeakPolarHBondContact CB-CD2 3.27Å; R249-H251 VanDerWaalsContact C-N 3.34Å; R249-H251 PolarHBondContact O-N 2.84Å; H251-K253 PolarHBondContact O-N 3.1Å; H251-T285 PolarHBondContact CE1-OG1 3.07Å
252N71.1Confident80.4Confident101 Ų10170.4 Ų70.454%0.5438%0.378SS..  trans-66.8112.8169.2-176.8-1.3000107.4N254 V255N252-N254 PolarHBondContact O-N 3.49Å; N252-V255 HydrophobicContact CB-CG2 3.64Å; N252-V255 WeakPolarHBondContact O-CB 3.38Å; N252-V255 PolarHBondContact O-N 3.29Å
253K76.1Confident80.5Confident172 Ų17267.9 Ų67.975%0.74836%0.363SS*.THydrogen-bonded Turntrans-59.9-14.1-170.6-65.9-174.1175.8-173.20113.9P205 H251P205-K253 CarbonylContact C-O 3.22Å; P205-K253 WeakPolarHBondContact CB-O 3.48Å; H251-K253 PolarHBondContact O-N 3.1Å
254N82.9Confident80.6Confident143 Ų14366.8 Ų66.877%0.76536%0.361SS*.THydrogen-bonded Turntrans-101.40.6-177.7-61.1-18.2000113.5N252N252-N254 PolarHBondContact O-N 3.49Å
255V89.1Confident80.4Confident22 Ų2267.2 Ų67.213%0.13336%0.363CS..SBendtrans-76.1135.7179.8174.30000109.5P205 G206 N252 L282 D283P205-V255 CarbonylContact C-O 3.55Å; P205-V255 VanDerWaalsContact CA-O 3.24Å; P205-V255 WeakPolarHBondContact CA-O 3.39Å; G206-V255 PolarHBondContact N-O 2.66Å; N252-V255 HydrophobicContact CB-CG2 3.64Å; N252-V255 WeakPolarHBondContact O-CB 3.38Å; N252-V255 PolarHBondContact O-N 3.29Å; V255-L282 HydrophobicContact CG1-CB 3.93Å; V255-D283 HydrophobicContact CG1-CB 4.2Å
256S90.7Very high80.2Confident36 Ų3661.8 Ų61.825%0.25234%0.337SS..  trans-68.6150178.161.70000111.5D186 T281 L282D186-S256 WeakPolarHBondContact OD2-CB 3.25Å; S256-T281 WeakPolarHBondContact O-CA 3.4Å; S256-L282 PolarHBondContact O-N 3.04Å; S256-L282 VanDerWaalsContact O-N 3.09Å; S256-L282 WeakPolarHBondContact OG-CB 3.23Å
257T93.1Very high79.3Confident1 Ų165.7 Ų65.71%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-131129.9-175.9-48.40000108.7D186 S203 Q204 C207 L279 C280 T281D186-T257 WeakPolarHBondContact CB-O 3.2Å; S203-T257 WeakPolarHBondContact CB-O 3.34Å; S203-T257 PolarHBondContact OG-O 3.4Å; Q204-T257 WeakPolarHBondContact O-CB 3.49Å; Q204-T257 PolarHBondContact O-OG1 3Å; C207-T257 WeakPolarHBondContact CA-OG1 3.17Å; C207-T257 PolarHBondContact N-OG1 2.8Å; T257-L279 HydrophobicContact CG2-CB 4.46Å; T257-L279 HydrophobicContact CG2-CD2 3.76Å; T257-C280 CarbonylContact C-O 3.57Å; T257-C280 VanDerWaalsContact CA-O 3.25Å; T257-C280 WeakPolarHBondContact CA-O 3.47Å; T257-C280 WeakPolarHBondContact CG2-O 3.28Å; T257-T281 HydrophobicContact CG2-CG2 4.33Å
258H94.8Very high78.8Confident22 Ų2270.2 Ų70.210%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-100.1146.4164.9-64.470.2000109.8D186 S187 L279 C280 F306 L308D186-H258 IonicContact OD2-CE1 3.81Å; D186-H258 PolarHBondContact OD2-CE1 3.08Å; D186-H258 IonicContact OD2-CG 3.1Å; D186-H258 IonicContact OD2-ND1 2.75Å; D186-H258 PolarHBondContact OD2-ND1 2.9Å; D186-H258 IonicContact OD2-NE2 3.58Å; D186-H258 PolarHBondContact OD2-NE2 2.97Å; S187-H258 WeakPolarHBondContact OG-CA 3.49Å; H258-L279 CarbonylContact O-C 3.46Å; H258-L279 WeakPolarHBondContact O-CA 3.27Å; H258-C280 PolarHBondContact N-O 2.85Å; H258-C280 PolarHBondContact O-N 2.81Å; H258-F306 PolarHBondContact CE1-O 3Å; H258-F306 PolarHBondContact NE2-O 3.16Å; H258-L308 HydrophobicContact CB-CB 4.02Å
259L95Very high78.5Confident5 Ų571.1 Ų71.13%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-131136.5-178.5175.1139.1000108.6S187 S189 M201 Y209 F277 A278 L279S187-L259 PolarHBondContact OG-N 3.27Å; S187-L259 PolarHBondContact OG-O 3.37Å; S189-L259 VanDerWaalsContact CB-CD2 3.46Å; M201-L259 HydrophobicContact CB-CD1 4.22Å; M201-L259 HydrophobicContact CB-CD2 3.8Å; M201-L259 HydrophobicContact CE-CD1 4.02Å; M201-L259 HydrophobicContact SD-CD1 4.48Å; Y209-L259 HydrophobicContact CG-CD1 4.16Å; L259-F277 HydrophobicContact CD1-CD2 4.17Å; L259-A278 WeakPolarHBondContact CA-O 3.33Å; L259-L279 HydrophobicContact CB-CD2 3.77Å; L259-L279 HydrophobicContact CD1-CD2 3.58Å; L259-L279 HydrophobicContact CD1-CG 4.44Å; L259-L279 HydrophobicContact CG-CD2 4.03Å
260I95.4Very high77.9Confident27 Ų2769.8 Ų69.814%0.13836%0.363CS..EExtended strand (participates in β ladder)trans-131.8128.6170-166.778.8000107.8I263 F277 A278 L308 K310I260-I263 HydrophobicContact CG2-CD1 4.2Å; I260-I263 HydrophobicContact CG2-CG1 4.5Å; I260-F277 CarbonylContact O-C 3.55Å; I260-F277 VanDerWaalsContact O-CA 3.23Å; I260-F277 WeakPolarHBondContact O-CA 3.36Å; I260-F277 WeakPolarHBondContact O-CB 3.34Å; I260-A278 HydrophobicContact CG2-CB 3.96Å; I260-A278 PolarHBondContact N-O 3.37Å; I260-A278 PolarHBondContact O-N 2.83Å; I260-L308 HydrophobicContact CB-CD2 4.26Å; I260-L308 HydrophobicContact CB-CG 4.33Å; I260-L308 HydrophobicContact CG2-CD2 3.68Å; I260-L308 HydrophobicContact CG2-CG 3.74Å; I260-K310 HydrophobicContact CG1-CB 4.35Å; I260-K310 HydrophobicContact CG1-CD 4.13Å; I260-K310 HydrophobicContact CG1-CG 4.18Å
261G93.3Very high77.4Confident2 Ų266.3 Ų66.32%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-109.2-178.6179.800000112.7S189 I263 L276S189-G261 VanDerWaalsContact OG-CA 3.28Å; S189-G261 WeakPolarHBondContact OG-CA 3.48Å; S189-G261 PolarHBondContact OG-N 3.3Å; G261-I263 VanDerWaalsContact C-N 3.29Å; G261-I263 PolarHBondContact O-N 3.44Å; G261-L276 CarbonylContact C-O 3.59Å
262S91.3Very high76.8Confident44 Ų4467.1 Ų67.131%0.30836%0.363SS..EExtended strand (participates in β ladder)trans5639.1176.2-57.50000113.8V190 N191 P192 S264 L276 K310V190-S262 PolarHBondContact O-OG 3.26Å; N191-S262 PolarHBondContact OD1-N 3.02Å; P192-S262 VanDerWaalsContact CD-OG 3.28Å; P192-S262 WeakPolarHBondContact CD-OG 3.26Å; S262-S264 PolarHBondContact O-N 2.75Å; S262-L276 PolarHBondContact N-O 3.32Å; S262-L276 VanDerWaalsContact N-O 3.09Å; S262-K310 PolarHBondContact O-NZ 3.47Å
263I91.8Very high76.2Confident5 Ų570 Ų703%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-72.2124.2175.4-58.6162.1000108.8I260 G261 L276 A278 L288 K310 E319 V321I260-I263 HydrophobicContact CG2-CD1 4.2Å; I260-I263 HydrophobicContact CG2-CG1 4.5Å; G261-I263 VanDerWaalsContact C-N 3.29Å; G261-I263 PolarHBondContact O-N 3.44Å; I263-L276 HydrophobicContact CB-CB 3.94Å; I263-L276 PolarHBondContact N-O 3.42Å; I263-A278 HydrophobicContact CD1-CB 3.65Å; I263-L288 HydrophobicContact CD1-CD1 3.66Å; I263-K310 HydrophobicContact CG1-CB 4.28Å; I263-K310 HydrophobicContact CG1-CD 4.22Å; I263-E319 WeakPolarHBondContact CA-OE2 3.25Å; I263-E319 HydrophobicContact CG2-CB 3.94Å; I263-E319 VanDerWaalsContact CG2-O 3.28Å; I263-E319 WeakPolarHBondContact CG2-O 3.47Å; I263-V321 HydrophobicContact CD1-CG2 3.84Å
264S87.7Confident75.8Confident46 Ų4667.1 Ų67.132%0.32236%0.355SS..  trans-70.5132.6-176.6178.20000112.8S262 G266 G317 R318 E319 H335S262-S264 PolarHBondContact O-N 2.75Å; S264-G266 PolarHBondContact OG-N 2.8Å; S264-G317 WeakPolarHBondContact CB-O 3.2Å; S264-G317 PolarHBondContact OG-O 2.87Å; S264-R318 WeakPolarHBondContact O-CA 3.47Å; S264-E319 WeakPolarHBondContact CB-OE2 3.49Å; S264-E319 PolarHBondContact N-OE2 3.29Å; S264-E319 PolarHBondContact O-N 2.92Å; S264-H335 PolarHBondContact O-CE1 3Å; S264-H335 PolarHBondContact O-NE2 2.84Å
265K83.1Confident75.8Confident39 Ų3960.6 Ų60.617%0.1732%0.322CS..BIsolated β-bridgetrans-891.5172.1-63.2-177.9-173.9177.40113.7R274 L276 D290 R318K265-R274 PolarHBondContact NZ-O 3.37Å; K265-L276 HydrophobicContact CD-CD1 4.24Å; K265-L276 HydrophobicContact CD-CG 4.3Å; K265-L276 HydrophobicContact CG-CD1 3.71Å; K265-L276 HydrophobicContact CG-CG 4.1Å; K265-D290 IonicContact NZ-OD1 3.69Å; K265-D290 PolarHBondContact NZ-OD1 2.99Å; K265-D290 VanDerWaalsContact NZ-OD1 3.1Å; K265-R318 WeakPolarHBondContact O-CG 3.45Å; K265-R318 PolarHBondContact O-NE 3.09Å
266G75.9Confident75.9Confident13 Ų1359.7 Ų59.713%0.13432%0.317CS..  trans81.8160.3-176.800000114.4S264 K268 E269 G317S264-G266 PolarHBondContact OG-N 2.8Å; G266-K268 VanDerWaalsContact C-N 3.27Å; G266-K268 PolarHBondContact O-N 3.17Å; G266-E269 PolarHBondContact O-N 2.83Å; G266-G317 VanDerWaalsContact CA-O 3.26Å; G266-G317 WeakPolarHBondContact CA-O 3.47Å; G266-G317 PolarHBondContact N-O 3.25Å
267S57Low76.1Confident103 Ų10358 Ų5872%0.7231%0.305SS*.THydrogen-bonded Turntrans-70.1-11.1-169.553.20000115.8
268K51.7Low76.2Confident201 Ų20158 Ų5887%0.87431%0.305SS*.THydrogen-bonded Turntrans-85.6-6-179.4-72.5-177.9179.8172.20114.2G266G266-K268 VanDerWaalsContact C-N 3.27Å; G266-K268 PolarHBondContact O-N 3.17Å
269E51.3Low76.2Confident81 Ų8157 Ų5738%0.37930%0.3SS..  trans-109.461.3174.6-68.4-170.8-170.700110.9G266 S271 S272 R318G266-E269 PolarHBondContact O-N 2.83Å; E269-S271 PolarHBondContact O-N 3.32Å; E269-S272 PolarHBondContact O-N 2.89Å; E269-R318 IonicContact OE1-NH2 3.76Å
270E43.6Very low76.2Confident197 Ų19756.7 Ų56.792%0.92130%0.299SS*.THydrogen-bonded Turntrans-55.1-4.9173.3-79-170.2153.300114.3
271S45.3Very low76.1Confident104 Ų10455.5 Ų55.573%0.72729%0.292SS*.THydrogen-bonded Turntrans-95-12.6-178.560.30000115.1E269 K273E269-S271 PolarHBondContact O-N 3.32Å; S271-K273 PolarHBondContact O-N 2.78Å
272S51.7Low76.1Confident46 Ų4657.6 Ų57.632%0.32230%0.303SS..  trans-96.181.5-173.9-71.90000111.4E269 R274E269-S272 PolarHBondContact O-N 2.89Å; S272-R274 PolarHBondContact O-N 2.87Å
273K58.8Low76Confident161 Ų16158.3 Ų58.370%0.730%0.303SS*.  trans-59.68.3161.7-68.2-174.9176-173.30113.8G196 S271G196-K273 VanDerWaalsContact CA-O 3.28Å; G196-K273 WeakPolarHBondContact CA-O 3.1Å; S271-K273 PolarHBondContact O-N 2.78Å
274R69.3Low76Confident111 Ų11158 Ų5842%0.41930%0.302SS..  trans-111.1117-169.2-69.9-169.9-177.9179.3-0.3109.7K265 S272 S291 S292K265-R274 PolarHBondContact NZ-O 3.37Å; S272-R274 PolarHBondContact O-N 2.87Å; R274-S291 WeakPolarHBondContact CB-OG 3.48Å; R274-S291 VanDerWaalsContact CG-OG 3.3Å; R274-S291 WeakPolarHBondContact CG-OG 3.36Å; R274-S292 PolarHBondContact NH1-OG 2.87Å
275G81.4Confident76.2Confident7 Ų756 Ų567%0.07229%0.287CS..  trans-76.6141.1177.600000112.1N191 P192 S291N191-G275 PolarHBondContact ND2-O 3.03Å; N191-G275 VanDerWaalsContact ND2-O 3.1Å; N191-G275 VanDerWaalsContact OD1-C 3.25Å; N191-G275 VanDerWaalsContact OD1-CA 3.32Å; N191-G275 WeakPolarHBondContact OD1-CA 3.4Å; P192-G275 PolarHBondContact O-N 3.28Å; P192-G275 VanDerWaalsContact O-N 3.1Å; G275-S291 WeakPolarHBondContact O-CB 3.46Å; G275-S291 PolarHBondContact O-N 2.94Å; G275-S291 VanDerWaalsContact O-N 3.07Å
276L91.9Very high76.8Confident2 Ų254.1 Ų54.11%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-89146.1167-64.1179.1000109.9N191 G261 S262 I263 K265 L288 M289 D290 L296 H335N191-L276 PolarHBondContact OD1-O 3Å; G261-L276 CarbonylContact C-O 3.59Å; S262-L276 PolarHBondContact N-O 3.32Å; S262-L276 VanDerWaalsContact N-O 3.09Å; I263-L276 HydrophobicContact CB-CB 3.94Å; I263-L276 PolarHBondContact N-O 3.42Å; K265-L276 HydrophobicContact CD-CD1 4.24Å; K265-L276 HydrophobicContact CD-CG 4.3Å; K265-L276 HydrophobicContact CG-CD1 3.71Å; K265-L276 HydrophobicContact CG-CG 4.1Å; L276-L288 HydrophobicContact CB-CD1 4.31Å; L276-L288 HydrophobicContact CD1-CD2 4.42Å; L276-M289 WeakPolarHBondContact CA-O 3.28Å; L276-D290 HydrophobicContact CD2-CB 4.08Å; L276-D290 WeakPolarHBondContact CD2-OD1 3.46Å; L276-L296 HydrophobicContact CD1-CD1 4.39Å; L276-L296 HydrophobicContact CD2-CD1 3.55Å; L276-H335 WeakPolarHBondContact CD1-CD2 3.45Å; L276-H335 VanDerWaalsContact CD1-NE2 3.3Å; L276-H335 WeakPolarHBondContact CD1-NE2 3.21Å
277F94.7Very high77.6Confident2 Ų253.7 Ų53.71%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-134.5147.4171.766.8-86.6000110.5M201 Y209 L259 I260 L279 M289 D290M201-F277 HydrophobicContact CE-CD1 3.91Å; M201-F277 HydrophobicContact CE-CD2 3.79Å; M201-F277 HydrophobicContact CE-CE1 3.88Å; M201-F277 HydrophobicContact CE-CE2 3.76Å; M201-F277 HydrophobicContact CE-CG 3.85Å; M201-F277 HydrophobicContact CE-CZ 3.81Å; M201-F277 HydrophobicContact SD-CB 4.32Å; M201-F277 HydrophobicContact SD-CD1 4.26Å; M201-F277 HydrophobicContact SD-CG 4.15Å; Y209-F277 HydrophobicContact CD1-CE2 4.08Å; Y209-F277 AromaticContact CE1-CE2 3.69Å; Y209-F277 HydrophobicContact CE1-CE2 3.69Å; Y209-F277 AromaticContact CE1-CZ 3.79Å; Y209-F277 HydrophobicContact CE1-CZ 3.79Å; Y209-F277 HydrophobicContact CE2-CZ 4.28Å; Y209-F277 AromaticContact CZ-CE2 3.95Å; Y209-F277 AromaticContact CZ-CZ 3.62Å; L259-F277 HydrophobicContact CD1-CD2 4.17Å; I260-F277 CarbonylContact O-C 3.55Å; I260-F277 VanDerWaalsContact O-CA 3.23Å; I260-F277 WeakPolarHBondContact O-CA 3.36Å; I260-F277 WeakPolarHBondContact O-CB 3.34Å; F277-L279 HydrophobicContact CD2-CG 4.43Å; F277-L279 HydrophobicContact CE2-CD1 4.19Å; F277-L279 HydrophobicContact CE2-CG 4.47Å; F277-M289 HydrophobicContact CD1-CB 4.07Å; F277-M289 HydrophobicContact CD2-CB 3.97Å; F277-M289 HydrophobicContact CD2-CG 4.29Å; F277-M289 HydrophobicContact CE1-CB 3.6Å; F277-M289 HydrophobicContact CE2-CB 3.49Å; F277-M289 VanDerWaalsContact CE2-CB 3.49Å; F277-M289 HydrophobicContact CE2-CG 3.65Å; F277-M289 HydrophobicContact CG-CB 4.25Å; F277-M289 HydrophobicContact CZ-CB 3.28Å; F277-M289 HydrophobicContact CZ-CG 3.82Å; F277-M289 PolarHBondContact N-O 2.74Å; F277-M289 PolarHBondContact O-N 3.3Å; F277-D290 VanDerWaalsContact CE1-O 3.29Å; F277-D290 WeakPolarHBondContact CE1-O 3.47Å
278A95.4Very high79.4Confident0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-116.6150.9177.300000110.9L259 I260 I263 K287 L288 L308 V321L259-A278 WeakPolarHBondContact CA-O 3.33Å; I260-A278 HydrophobicContact CG2-CB 3.96Å; I260-A278 PolarHBondContact N-O 3.37Å; I260-A278 PolarHBondContact O-N 2.83Å; I263-A278 HydrophobicContact CD1-CB 3.65Å; A278-K287 CarbonylContact C-O 3.44Å; A278-K287 WeakPolarHBondContact CA-O 3.42Å; A278-L288 HydrophobicContact CB-CD1 4.01Å; A278-L308 HydrophobicContact CB-CD2 4.14Å; A278-L308 WeakPolarHBondContact O-CD2 3.29Å; A278-V321 HydrophobicContact CB-CG1 3.88Å; A278-V321 HydrophobicContact CB-CG2 3.74Å
279L94.8Very high81.3Confident0 Ų039.7 Ų39.70%020%0.2CC..EExtended strand (participates in β ladder)trans-125.4136.3177.8-70.6164.6000108.7Y209 T246 T257 H258 L259 F277 L286 K287Y209-L279 HydrophobicContact CD1-CD1 4.01Å; Y209-L279 HydrophobicContact CE1-CD1 4.47Å; T246-L279 HydrophobicContact CG2-CD1 3.48Å; T246-L279 VanDerWaalsContact CG2-CD1 3.48Å; T257-L279 HydrophobicContact CG2-CB 4.46Å; T257-L279 HydrophobicContact CG2-CD2 3.76Å; H258-L279 CarbonylContact O-C 3.46Å; H258-L279 WeakPolarHBondContact O-CA 3.27Å; L259-L279 HydrophobicContact CB-CD2 3.77Å; L259-L279 HydrophobicContact CD1-CD2 3.58Å; L259-L279 HydrophobicContact CD1-CG 4.44Å; L259-L279 HydrophobicContact CG-CD2 4.03Å; F277-L279 HydrophobicContact CD2-CG 4.43Å; F277-L279 HydrophobicContact CE2-CD1 4.19Å; F277-L279 HydrophobicContact CE2-CG 4.47Å; L279-L286 CarbonylContact O-C 3.55Å; L279-L286 WeakPolarHBondContact O-CA 3.44Å; L279-K287 HydrophobicContact CB-CB 4.44Å; L279-K287 PolarHBondContact N-O 2.85Å; L279-K287 PolarHBondContact O-N 3.1Å
280C94.6Very high83.2Confident0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-128143.6167.7890000111T257 H258 T285 L286 L305 L308T257-C280 CarbonylContact C-O 3.57Å; T257-C280 VanDerWaalsContact CA-O 3.25Å; T257-C280 WeakPolarHBondContact CA-O 3.47Å; T257-C280 WeakPolarHBondContact CG2-O 3.28Å; H258-C280 PolarHBondContact N-O 2.85Å; H258-C280 PolarHBondContact O-N 2.81Å; C280-T285 CarbonylContact C-O 3.5Å; C280-T285 VanDerWaalsContact CA-O 3.25Å; C280-T285 WeakPolarHBondContact CA-O 3.39Å; C280-L286 HydrophobicContact CB-CD2 3.3Å; C280-L286 HydrophobicContact CB-CG 4.31Å; C280-L305 HydrophobicContact CB-CD1 4.44Å; C280-L308 HydrophobicContact CB-CB 4.41Å; C280-L308 HydrophobicContact CB-CD1 3.93Å; C280-L308 HydrophobicContact CB-CD2 4.04Å; C280-L308 HydrophobicContact CB-CG 4.36Å
281T93.9Very high85.2Confident1 Ų127.8 Ų27.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-112.9154.8175.2520000110.9C207 S256 T257 D283 G284 T285C207-T281 HydrophobicContact CB-CG2 3.59Å; S256-T281 WeakPolarHBondContact O-CA 3.4Å; T257-T281 HydrophobicContact CG2-CG2 4.33Å; T281-D283 VanDerWaalsContact CB-OD1 3.3Å; T281-D283 WeakPolarHBondContact CB-OD1 3.21Å; T281-D283 PolarHBondContact O-N 2.73Å; T281-D283 VanDerWaalsContact O-N 3.14Å; T281-D283 PolarHBondContact OG1-OD1 3.37Å; T281-G284 PolarHBondContact O-N 2.7Å; T281-T285 PolarHBondContact N-O 2.88Å; T281-T285 WeakPolarHBondContact OG1-CA 3.23Å; T281-T285 WeakPolarHBondContact OG1-CB 3.03Å; T281-T285 PolarHBondContact OG1-N 3.19Å; T281-T285 PolarHBondContact OG1-O 3.03Å; T281-T285 PolarHBondContact OG1-OG1 3.48Å
282L92.6Very high87Confident46 Ų4624.6 Ų24.624%0.24112%0.123CC..THydrogen-bonded Turntrans-62-19.8176.6-172.667.1000113.5V255 S256 G284 Q304 L305 F306 W326V255-L282 HydrophobicContact CG1-CB 3.93Å; S256-L282 PolarHBondContact O-N 3.04Å; S256-L282 VanDerWaalsContact O-N 3.09Å; S256-L282 WeakPolarHBondContact OG-CB 3.23Å; L282-G284 VanDerWaalsContact C-N 3.27Å; L282-G284 PolarHBondContact O-N 2.74Å; L282-Q304 HydrophobicContact CD1-CB 4.01Å; L282-Q304 WeakPolarHBondContact O-CA 3.2Å; L282-Q304 WeakPolarHBondContact O-CB 3.28Å; L282-L305 VanDerWaalsContact CA-O 3.3Å; L282-L305 WeakPolarHBondContact CA-O 3.46Å; L282-F306 HydrophobicContact CD1-CB 4.4Å; L282-W326 HydrophobicContact CD1-CH2 4.43Å; L282-W326 HydrophobicContact CD1-CZ2 4.08Å
283D90.4Very high88.5Confident59 Ų5926.2 Ų26.232%0.31613%0.126SC..THydrogen-bonded Turntrans-83.22.8174.667.610.4000114.2V255 T281 T285 Q300V255-D283 HydrophobicContact CG1-CB 4.2Å; T281-D283 VanDerWaalsContact CB-OD1 3.3Å; T281-D283 WeakPolarHBondContact CB-OD1 3.21Å; T281-D283 PolarHBondContact O-N 2.73Å; T281-D283 VanDerWaalsContact O-N 3.14Å; T281-D283 PolarHBondContact OG1-OD1 3.37Å; D283-T285 PolarHBondContact OD1-N 2.93Å; D283-T285 PolarHBondContact OD1-OG1 3.11Å; D283-Q300 PolarHBondContact O-NE2 2.59Å
284G91.3Very high89.9Confident0 Ų024.7 Ų24.70%012%0.122CC..SBendtrans91.215.417600000114.9T281 L282 Q300 V301 H303T281-G284 PolarHBondContact O-N 2.7Å; L282-G284 VanDerWaalsContact C-N 3.27Å; L282-G284 PolarHBondContact O-N 2.74Å; G284-Q300 WeakPolarHBondContact O-CA 3.27Å; G284-V301 WeakPolarHBondContact O-CG2 3.5Å; G284-V301 PolarHBondContact O-N 3.09Å; G284-H303 WeakPolarHBondContact CA-O 3.19Å
285T92.6Very high90.9Very high3 Ų323.3 Ų23.32%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-81.4130.6170.2-46.60000110H251 C280 T281 D283 K287 Q300H251-T285 PolarHBondContact CE1-OG1 3.07Å; C280-T285 CarbonylContact C-O 3.5Å; C280-T285 VanDerWaalsContact CA-O 3.25Å; C280-T285 WeakPolarHBondContact CA-O 3.39Å; T281-T285 PolarHBondContact N-O 2.88Å; T281-T285 WeakPolarHBondContact OG1-CA 3.23Å; T281-T285 WeakPolarHBondContact OG1-CB 3.03Å; T281-T285 PolarHBondContact OG1-N 3.19Å; T281-T285 PolarHBondContact OG1-O 3.03Å; T281-T285 PolarHBondContact OG1-OG1 3.48Å; D283-T285 PolarHBondContact OD1-N 2.93Å; D283-T285 PolarHBondContact OD1-OG1 3.11Å; T285-K287 HydrophobicContact CG2-CG 4.24Å; T285-Q300 PolarHBondContact OG1-OE1 3.23Å
286L94Very high91.4Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-117.8136168.7-72.9161.3000109.7L279 C280 W297 S298 V299 L305 L308 A323 I333L279-L286 CarbonylContact O-C 3.55Å; L279-L286 WeakPolarHBondContact O-CA 3.44Å; C280-L286 HydrophobicContact CB-CD2 3.3Å; C280-L286 HydrophobicContact CB-CG 4.31Å; L286-W297 HydrophobicContact CB-CH2 4.46Å; L286-W297 HydrophobicContact CB-CZ3 3.94Å; L286-S298 CarbonylContact O-C 3.46Å; L286-S298 VanDerWaalsContact O-CA 3.27Å; L286-S298 WeakPolarHBondContact O-CA 3.28Å; L286-S298 PolarHBondContact O-OG 3.39Å; L286-V299 HydrophobicContact CB-CB 4.42Å; L286-V299 PolarHBondContact N-O 3.1Å; L286-V299 PolarHBondContact O-N 2.97Å; L286-L305 HydrophobicContact CD1-CD1 3.62Å; L286-L305 HydrophobicContact CD2-CD1 3.91Å; L286-L305 HydrophobicContact CG-CD1 3.53Å; L286-L308 HydrophobicContact CD2-CD1 3.91Å; L286-A323 HydrophobicContact CD1-CB 3.94Å; L286-A323 HydrophobicContact CD2-CB 3.69Å; L286-A323 HydrophobicContact CG-CB 4.41Å; L286-I333 HydrophobicContact CB-CD1 4.47Å; L286-I333 HydrophobicContact CD1-CD1 3.57Å
287K93.9Very high91.5Very high4 Ų428 Ų282%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-135.5141.8174.6-62.7-172.5-177-178.30110.2T246 S247 A278 L279 T285 L295 W297T246-K287 PolarHBondContact OG1-NZ 3.45Å; S247-K287 PolarHBondContact O-NZ 3.04Å; A278-K287 CarbonylContact C-O 3.44Å; A278-K287 WeakPolarHBondContact CA-O 3.42Å; L279-K287 HydrophobicContact CB-CB 4.44Å; L279-K287 PolarHBondContact N-O 2.85Å; L279-K287 PolarHBondContact O-N 3.1Å; T285-K287 HydrophobicContact CG2-CG 4.24Å; K287-L295 HydrophobicContact CB-CD1 3.95Å; K287-L295 HydrophobicContact CD-CD1 4.02Å; K287-L295 HydrophobicContact CG-CD1 4.09Å; K287-W297 WeakPolarHBondContact CA-O 3.33Å
288L94.3Very high91.4Very high2 Ų229.8 Ų29.81%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-113.9132166.4-17571.7000108.9I263 L276 A278 L296 W297 V321I263-L288 HydrophobicContact CD1-CD1 3.66Å; L276-L288 HydrophobicContact CB-CD1 4.31Å; L276-L288 HydrophobicContact CD1-CD2 4.42Å; A278-L288 HydrophobicContact CB-CD1 4.01Å; L288-L296 HydrophobicContact CD2-CB 4.43Å; L288-L296 HydrophobicContact CD2-CD1 3.93Å; L288-L296 HydrophobicContact CG-CB 4.49Å; L288-L296 HydrophobicContact CG-CD1 4.12Å; L288-L296 PolarHBondContact O-N 2.79Å; L288-W297 HydrophobicContact CB-CD2 3.74Å; L288-W297 HydrophobicContact CB-CE3 4.32Å; L288-W297 HydrophobicContact CB-CG 4.18Å; L288-W297 HydrophobicContact CB-CH2 4.12Å; L288-W297 HydrophobicContact CB-CZ2 3.53Å; L288-W297 HydrophobicContact CB-CZ3 4.49Å; L288-W297 HydrophobicContact CD2-CZ2 4.12Å; L288-W297 HydrophobicContact CG-CZ2 4.32Å; L288-W297 PolarHBondContact N-O 2.94Å; L288-W297 PolarHBondContact O-N 3.36Å; L288-V321 HydrophobicContact CD1-CG2 4.08Å
289M92Very high91.3Very high8 Ų830.5 Ų30.54%0.03916%0.161CC..EExtended strand (participates in β ladder)trans-127.8149.3-174.1-55.2-71.9-6400109.8T246 L276 F277 E293 Q294 L295T246-M289 HydrophobicContact CG2-CE 4.26Å; T246-M289 HydrophobicContact CG2-SD 4.42Å; L276-M289 WeakPolarHBondContact CA-O 3.28Å; F277-M289 HydrophobicContact CD1-CB 4.07Å; F277-M289 HydrophobicContact CD2-CB 3.97Å; F277-M289 HydrophobicContact CD2-CG 4.29Å; F277-M289 HydrophobicContact CE1-CB 3.6Å; F277-M289 HydrophobicContact CE2-CB 3.49Å; F277-M289 VanDerWaalsContact CE2-CB 3.49Å; F277-M289 HydrophobicContact CE2-CG 3.65Å; F277-M289 HydrophobicContact CG-CB 4.25Å; F277-M289 HydrophobicContact CZ-CB 3.28Å; F277-M289 HydrophobicContact CZ-CG 3.82Å; F277-M289 PolarHBondContact N-O 2.74Å; F277-M289 PolarHBondContact O-N 3.3Å; M289-E293 WeakPolarHBondContact CE-O 3.31Å; M289-Q294 VanDerWaalsContact CA-O 3.31Å; M289-Q294 WeakPolarHBondContact CA-O 3.48Å; M289-L295 HydrophobicContact CE-CB 4.43Å; M289-L295 VanDerWaalsContact SD-CA 3.58Å; M289-L295 HydrophobicContact SD-CB 3.86Å; M289-L295 HydrophobicContact SD-CD1 3.49Å; M289-L295 WeakPolarHBondContact SD-CD1 3.32Å; M289-L295 HydrophobicContact SD-CG 4.3Å
290D90Very high91.1Very high21 Ų2135.4 Ų35.411%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-89.2161.6168.4-16944.3000111K265 L276 F277 S292 E293 Q294K265-D290 IonicContact NZ-OD1 3.69Å; K265-D290 PolarHBondContact NZ-OD1 2.99Å; K265-D290 VanDerWaalsContact NZ-OD1 3.1Å; L276-D290 HydrophobicContact CD2-CB 4.08Å; L276-D290 WeakPolarHBondContact CD2-OD1 3.46Å; F277-D290 VanDerWaalsContact CE1-O 3.29Å; F277-D290 WeakPolarHBondContact CE1-O 3.47Å; D290-S292 PolarHBondContact O-N 2.88Å; D290-E293 WeakPolarHBondContact O-CA 3.46Å; D290-E293 PolarHBondContact O-N 2.72Å; D290-Q294 PolarHBondContact N-O 3.31Å
291S85.8Confident91Very high6 Ų635.7 Ų35.74%0.04219%0.186CC..THydrogen-bonded Turntrans-61.4-15.4178.669.20000114.3P192 R274 G275 E293P192-S291 WeakPolarHBondContact O-CB 3.3Å; R274-S291 WeakPolarHBondContact CB-OG 3.48Å; R274-S291 VanDerWaalsContact CG-OG 3.3Å; R274-S291 WeakPolarHBondContact CG-OG 3.36Å; G275-S291 WeakPolarHBondContact O-CB 3.46Å; G275-S291 PolarHBondContact O-N 2.94Å; G275-S291 VanDerWaalsContact O-N 3.07Å; S291-E293 PolarHBondContact O-N 2.71Å
292S83.6Confident90.9Very high37 Ų3743.3 Ų43.326%0.25923%0.226SC..THydrogen-bonded Turntrans-86.617.7169.9-53.10000113.6R274 D290 Q294R274-S292 PolarHBondContact NH1-OG 2.87Å; D290-S292 PolarHBondContact O-N 2.88Å; S292-Q294 PolarHBondContact O-N 2.83Å; S292-Q294 VanDerWaalsContact O-N 3.12Å
293E83.6Confident90.9Very high81 Ų8143.5 Ų43.538%0.37923%0.226SC..SBendtrans61.920.7177.2-45.3-174.8173.900114.3Y209 H244 M289 D290 S291Y209-E293 WeakPolarHBondContact OH-CG 3.46Å; H244-E293 IonicContact CD2-OE1 3.45Å; H244-E293 PolarHBondContact CD2-OE1 2.75Å; H244-E293 IonicContact CD2-OE2 3.27Å; H244-E293 PolarHBondContact CD2-OE2 2.82Å; H244-E293 IonicContact CE1-OE1 2.87Å; H244-E293 PolarHBondContact CE1-OE1 3.19Å; H244-E293 IonicContact CG-OE1 2.73Å; H244-E293 IonicContact ND1-OE1 3.73Å; H244-E293 IonicContact NE2-OE1 3.23Å; H244-E293 PolarHBondContact NE2-OE1 2.73Å; H244-E293 IonicContact NE2-OE2 3.23Å; M289-E293 WeakPolarHBondContact CE-O 3.31Å; D290-E293 WeakPolarHBondContact O-CA 3.46Å; D290-E293 PolarHBondContact O-N 2.72Å; S291-E293 PolarHBondContact O-N 2.71Å
294Q87.4Confident91Very high129 Ų12945.7 Ų45.760%0.60323%0.234SC*.  trans-86.1132176.5-64.6-56.9-51.600110.3M289 D290 S292 L296M289-Q294 VanDerWaalsContact CA-O 3.31Å; M289-Q294 WeakPolarHBondContact CA-O 3.48Å; D290-Q294 PolarHBondContact N-O 3.31Å; S292-Q294 PolarHBondContact O-N 2.83Å; S292-Q294 VanDerWaalsContact O-N 3.12Å; Q294-L296 PolarHBondContact O-N 3.39Å
295L90.9Very high91.2Very high82 Ų8245.7 Ų45.743%0.42923%0.234SC..EExtended strand (participates in β ladder)trans-74117.1174.7179.369.2000109.9K287 M289 W297K287-L295 HydrophobicContact CB-CD1 3.95Å; K287-L295 HydrophobicContact CD-CD1 4.02Å; K287-L295 HydrophobicContact CG-CD1 4.09Å; M289-L295 HydrophobicContact CE-CB 4.43Å; M289-L295 VanDerWaalsContact SD-CA 3.58Å; M289-L295 HydrophobicContact SD-CB 3.86Å; M289-L295 HydrophobicContact SD-CD1 3.49Å; M289-L295 WeakPolarHBondContact SD-CD1 3.32Å; M289-L295 HydrophobicContact SD-CG 4.3Å; L295-W297 VanDerWaalsContact CD1-O 3.27Å; L295-W297 WeakPolarHBondContact CD1-O 3.31Å
296L91.2Very high91.2Very high92 Ų9246.3 Ų46.348%0.48224%0.236SC..EExtended strand (participates in β ladder)trans-82.1-50.7174.2-63.1-178.1000110.9L276 L288 Q294L276-L296 HydrophobicContact CD1-CD1 4.39Å; L276-L296 HydrophobicContact CD2-CD1 3.55Å; L288-L296 HydrophobicContact CD2-CB 4.43Å; L288-L296 HydrophobicContact CD2-CD1 3.93Å; L288-L296 HydrophobicContact CG-CB 4.49Å; L288-L296 HydrophobicContact CG-CD1 4.12Å; L288-L296 PolarHBondContact O-N 2.79Å; Q294-L296 PolarHBondContact O-N 3.39Å
297W93.7Very high91.3Very high15 Ų1546.7 Ų46.76%0.05724%0.24CC..EExtended strand (participates in β ladder)trans-152.8158.2174.156.6-109000112L286 K287 L288 L295 V299 V321 I333 D334 R337L286-W297 HydrophobicContact CB-CH2 4.46Å; L286-W297 HydrophobicContact CB-CZ3 3.94Å; K287-W297 WeakPolarHBondContact CA-O 3.33Å; L288-W297 HydrophobicContact CB-CD2 3.74Å; L288-W297 HydrophobicContact CB-CE3 4.32Å; L288-W297 HydrophobicContact CB-CG 4.18Å; L288-W297 HydrophobicContact CB-CH2 4.12Å; L288-W297 HydrophobicContact CB-CZ2 3.53Å; L288-W297 HydrophobicContact CB-CZ3 4.49Å; L288-W297 HydrophobicContact CD2-CZ2 4.12Å; L288-W297 HydrophobicContact CG-CZ2 4.32Å; L288-W297 PolarHBondContact N-O 2.94Å; L288-W297 PolarHBondContact O-N 3.36Å; L295-W297 VanDerWaalsContact CD1-O 3.27Å; L295-W297 WeakPolarHBondContact CD1-O 3.31Å; W297-V299 HydrophobicContact CE3-CB 4.42Å; W297-V299 HydrophobicContact CE3-CG2 3.81Å; W297-V299 HydrophobicContact CZ3-CB 4.28Å; W297-V299 HydrophobicContact CZ3-CG2 4.02Å; W297-V321 HydrophobicContact CZ2-CG2 4.35Å; W297-I333 HydrophobicContact CH2-CB 3.91Å; W297-I333 HydrophobicContact CH2-CD1 3.93Å; W297-I333 HydrophobicContact CH2-CG1 4.48Å; W297-I333 HydrophobicContact CH2-CG2 3.61Å; W297-I333 HydrophobicContact CZ2-CB 3.97Å; W297-I333 HydrophobicContact CZ2-CG2 3.45Å; W297-I333 VanDerWaalsContact CZ2-CG2 3.45Å; W297-I333 HydrophobicContact CZ3-CD1 4.12Å; W297-I333 HydrophobicContact CZ3-CG2 4.19Å; W297-D334 PolarHBondContact NE1-O 2.6Å; W297-R337 HydrophobicContact CB-CB 4.09Å; W297-R337 HydrophobicContact CB-CG 3.89Å; W297-R337 HydrophobicContact CD2-CG 4.29Å; W297-R337 HydrophobicContact CG-CB 4.02Å; W297-R337 HydrophobicContact CG-CG 4.03Å
298S93Very high91.4Very high40 Ų4047 Ų4728%0.2824%0.241SC..EExtended strand (participates in β ladder)trans-133.2137.4169.7-1780000110.7L286 R337L286-S298 CarbonylContact O-C 3.46Å; L286-S298 VanDerWaalsContact O-CA 3.27Å; L286-S298 WeakPolarHBondContact O-CA 3.28Å; L286-S298 PolarHBondContact O-OG 3.39Å; S298-R337 PolarHBondContact O-NE 2.96Å; S298-R337 PolarHBondContact O-NH2 3.22Å
299V92.8Very high91.4Very high14 Ų1449.2 Ų49.29%0.08525%0.252CS..EExtended strand (participates in β ladder)trans-129.7135179.1175.80000108L286 W297 V301 I333 R337 V339L286-V299 HydrophobicContact CB-CB 4.42Å; L286-V299 PolarHBondContact N-O 3.1Å; L286-V299 PolarHBondContact O-N 2.97Å; W297-V299 HydrophobicContact CE3-CB 4.42Å; W297-V299 HydrophobicContact CE3-CG2 3.81Å; W297-V299 HydrophobicContact CZ3-CB 4.28Å; W297-V299 HydrophobicContact CZ3-CG2 4.02Å; V299-V301 HydrophobicContact CG1-CG1 4.25Å; V299-I333 HydrophobicContact CB-CD1 4.3Å; V299-I333 HydrophobicContact CG1-CD1 4.33Å; V299-I333 HydrophobicContact CG2-CD1 4.37Å; V299-R337 HydrophobicContact CG2-CG 3.64Å; V299-V339 HydrophobicContact CG1-CG2 4.43Å; V299-V339 HydrophobicContact CG2-CG2 4.43Å
300Q92.2Very high91.6Very high104 Ų10451.5 Ų51.549%0.48626%0.261SS..EExtended strand (participates in β ladder)trans-106.7133.8170.7-172.469.93300108.4D283 G284 T285D283-Q300 PolarHBondContact O-NE2 2.59Å; G284-Q300 WeakPolarHBondContact O-CA 3.27Å; T285-Q300 PolarHBondContact OG1-OE1 3.23Å
301V92.6Very high91.8Very high6 Ų650.7 Ų50.74%0.03626%0.257CS..  trans-118.9157.3169.2-57.20000110G284 V299 H303 L305 Y331G284-V301 WeakPolarHBondContact O-CG2 3.5Å; G284-V301 PolarHBondContact O-N 3.09Å; V299-V301 HydrophobicContact CG1-CG1 4.25Å; V301-H303 VanDerWaalsContact C-N 3.26Å; V301-H303 PolarHBondContact O-N 3.36Å; V301-L305 HydrophobicContact CG2-CD1 3.66Å; V301-L305 HydrophobicContact CG2-CD2 4.09Å; V301-L305 HydrophobicContact CG2-CG 3.89Å; V301-Y331 HydrophobicContact CB-CE1 4.47Å; V301-Y331 HydrophobicContact CB-CE2 4.01Å; V301-Y331 HydrophobicContact CG1-CD1 4.19Å; V301-Y331 HydrophobicContact CG1-CD2 4.29Å; V301-Y331 HydrophobicContact CG1-CE1 3.89Å; V301-Y331 HydrophobicContact CG1-CE2 4Å; V301-Y331 HydrophobicContact CG1-CG 4.34Å; V301-Y331 HydrophobicContact CG2-CD2 4.4Å; V301-Y331 HydrophobicContact CG2-CE2 3.89Å
302D90.8Very high92.2Very high160 Ų16051.8 Ų51.886%0.85626%0.263SS*.SBendtrans-90.418-178.4-60.6-36.6000112.9
303H92.9Very high92.5Very high50 Ų5050 Ų5023%0.23125%0.25CS..SBendtrans-121.9152.5-178.3-57.388.5000111.2G284 V301 L305 A325 D327 Y331G284-H303 WeakPolarHBondContact CA-O 3.19Å; V301-H303 VanDerWaalsContact C-N 3.26Å; V301-H303 PolarHBondContact O-N 3.36Å; H303-L305 PolarHBondContact O-N 2.95Å; H303-A325 HydrophobicContact CB-CB 3.78Å; H303-D327 IonicContact CD2-OD2 3.85Å; H303-D327 PolarHBondContact CD2-OD2 3.35Å; H303-D327 IonicContact NE2-OD2 2.72Å; H303-Y331 HydrophobicContact CB-CE2 4.48Å; H303-Y331 PolarHBondContact CE1-OH 3.46Å; H303-Y331 AromaticContact ND1-CZ 3.86Å; H303-Y331 PolarHBondContact ND1-OH 2.87Å
304Q93Very high92.8Very high106 Ų10647.9 Ų47.950%0.49524%0.243SC..  trans-81.2103.7-178.2-67.4178-13.900110.8L282 A325 W326L282-Q304 HydrophobicContact CD1-CB 4.01Å; L282-Q304 WeakPolarHBondContact O-CA 3.2Å; L282-Q304 WeakPolarHBondContact O-CB 3.28Å; Q304-A325 WeakPolarHBondContact O-CA 3.3Å; Q304-A325 WeakPolarHBondContact O-CB 3.33Å; Q304-W326 PolarHBondContact O-N 3.31Å
305L94.6Very high92.8Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-85.9124.9-178-57.2172.6000110.6C280 L282 L286 V301 H303 A323 C324 A325 Y331C280-L305 HydrophobicContact CB-CD1 4.44Å; L282-L305 VanDerWaalsContact CA-O 3.3Å; L282-L305 WeakPolarHBondContact CA-O 3.46Å; L286-L305 HydrophobicContact CD1-CD1 3.62Å; L286-L305 HydrophobicContact CD2-CD1 3.91Å; L286-L305 HydrophobicContact CG-CD1 3.53Å; V301-L305 HydrophobicContact CG2-CD1 3.66Å; V301-L305 HydrophobicContact CG2-CD2 4.09Å; V301-L305 HydrophobicContact CG2-CG 3.89Å; H303-L305 PolarHBondContact O-N 2.95Å; L305-A323 HydrophobicContact CD1-CB 4.14Å; L305-A323 HydrophobicContact CD2-CB 4.07Å; L305-C324 WeakPolarHBondContact CA-O 3.4Å; L305-A325 HydrophobicContact CD2-CB 4.08Å; L305-Y331 HydrophobicContact CD2-CD2 3.75Å; L305-Y331 HydrophobicContact CD2-CE2 4Å
306F93.7Very high92.6Very high15 Ų1544.9 Ų44.97%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-124.2-8.9-17581.2-78.2000113.7H258 L282 C324 W326 V348 F351H258-F306 PolarHBondContact CE1-O 3Å; H258-F306 PolarHBondContact NE2-O 3.16Å; L282-F306 HydrophobicContact CD1-CB 4.4Å; F306-C324 WeakPolarHBondContact CD1-O 3.25Å; F306-C324 HydrophobicContact CE1-CB 4.19Å; F306-C324 PolarHBondContact N-O 2.99Å; F306-W326 AromaticContact CD1-CD1 3.05Å; F306-W326 HydrophobicContact CD1-CG 4.11Å; F306-W326 AromaticContact CD1-NE1 3.5Å; F306-W326 AromaticContact CD2-CD1 3.89Å; F306-W326 AromaticContact CD2-NE1 3.62Å; F306-W326 AromaticContact CE1-CD1 3.58Å; F306-W326 AromaticContact CG-CD1 3.21Å; F306-W326 HydrophobicContact CG-CG 4.43Å; F306-W326 AromaticContact CG-NE1 3.08Å; F306-V348 HydrophobicContact CE1-CB 4.21Å; F306-V348 HydrophobicContact CE1-CG1 4.34Å; F306-V348 HydrophobicContact CZ-CB 4.05Å; F306-V348 HydrophobicContact CZ-CG1 3.78Å; F306-F351 HydrophobicContact CZ-CB 3.98Å
307A94.3Very high92.3Very high8 Ų841.9 Ų41.97%0.06624%0.238CC..EExtended strand (participates in β ladder)trans-138.3139177.900000109.4A323 C324 F351A307-A323 WeakPolarHBondContact O-CA 3.06Å; A307-C324 HydrophobicContact CB-CB 4.31Å; A307-C324 PolarHBondContact N-O 3.01Å; A307-C324 PolarHBondContact O-N 2.48Å; A307-F351 HydrophobicContact CB-CB 3.83Å; A307-F351 HydrophobicContact CB-CD1 3.73Å; A307-F351 HydrophobicContact CB-CG 4.22Å
308L95.9Very high92.2Very high10 Ų1045.2 Ų45.25%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-131126.6178.9-167.563.5000108.4H258 I260 A278 C280 L286 V321 A323H258-L308 HydrophobicContact CB-CB 4.02Å; I260-L308 HydrophobicContact CB-CD2 4.26Å; I260-L308 HydrophobicContact CB-CG 4.33Å; I260-L308 HydrophobicContact CG2-CD2 3.68Å; I260-L308 HydrophobicContact CG2-CG 3.74Å; A278-L308 HydrophobicContact CB-CD2 4.14Å; A278-L308 WeakPolarHBondContact O-CD2 3.29Å; C280-L308 HydrophobicContact CB-CB 4.41Å; C280-L308 HydrophobicContact CB-CD1 3.93Å; C280-L308 HydrophobicContact CB-CD2 4.04Å; C280-L308 HydrophobicContact CB-CG 4.36Å; L286-L308 HydrophobicContact CD2-CD1 3.91Å; L308-V321 HydrophobicContact CD1-CG1 3.46Å; L308-V321 VanDerWaalsContact CD1-CG1 3.46Å; L308-V321 HydrophobicContact CG-CG1 4.38Å; L308-A323 HydrophobicContact CD1-CB 3.91Å
309Q96.3Very high92.2Very high49 Ų4945.1 Ų45.123%0.22925%0.246CC..EExtended strand (participates in β ladder)trans-136.6168179.7-62.5-64.6-13.900109.3V322 F351 A353Q309-V322 HydrophobicContact CB-CB 4.49Å; Q309-V322 PolarHBondContact N-O 3.03Å; Q309-V322 PolarHBondContact O-N 2.99Å; Q309-F351 HydrophobicContact CB-CE1 4.21Å; Q309-F351 HydrophobicContact CG-CD1 4.01Å; Q309-F351 HydrophobicContact CG-CE1 3.81Å; Q309-A353 HydrophobicContact CB-CB 3.68Å; Q309-A353 HydrophobicContact CG-CB 4.07Å
310K95.1Very high92.2Very high56 Ų5644.7 Ų44.724%0.24324%0.243CC..EExtended strand (participates in β ladder)trans-122.1138.5174.165.5-177-164.9125.60109.1I260 S262 I263 E319 E320I260-K310 HydrophobicContact CG1-CB 4.35Å; I260-K310 HydrophobicContact CG1-CD 4.13Å; I260-K310 HydrophobicContact CG1-CG 4.18Å; S262-K310 PolarHBondContact O-NZ 3.47Å; I263-K310 HydrophobicContact CG1-CB 4.28Å; I263-K310 HydrophobicContact CG1-CD 4.22Å; K310-E319 HydrophobicContact CB-CB 4.41Å; K310-E319 WeakPolarHBondContact CD-OE2 3.25Å; K310-E319 VanDerWaalsContact NZ-CD 3.29Å; K310-E319 IonicContact NZ-OE1 3.69Å; K310-E319 PolarHBondContact NZ-OE1 3.27Å; K310-E319 IonicContact NZ-OE2 2.71Å; K310-E319 PolarHBondContact NZ-OE2 2.98Å; K310-E320 WeakPolarHBondContact CA-O 3.45Å
311L94.6Very high92.4Very high4 Ų439.9 Ų39.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-156.3128.4-178-174.163.9000109.3V313 E320 V322 A353 P365 L367 V382L311-V313 HydrophobicContact CB-CG1 4.35Å; L311-V313 HydrophobicContact CD2-CG1 3.81Å; L311-V313 HydrophobicContact CG-CG1 3.96Å; L311-V313 PolarHBondContact O-N 2.91Å; L311-E320 PolarHBondContact N-O 3.14Å; L311-E320 WeakPolarHBondContact O-CB 3.47Å; L311-E320 PolarHBondContact O-N 2.91Å; L311-V322 HydrophobicContact CB-CG2 3.88Å; L311-A353 HydrophobicContact CD2-CB 4.37Å; L311-P365 HydrophobicContact CD1-CB 3.75Å; L311-P365 HydrophobicContact CD2-CB 4.03Å; L311-P365 HydrophobicContact CG-CB 4Å; L311-L367 HydrophobicContact CD2-CD2 3.99Å; L311-V382 HydrophobicContact CD2-CG1 4.48Å
312D93.6Very high92.6Very high30 Ų3039.6 Ų39.616%0.1622%0.219CC..  trans-75.5104.5166.4179.22.7000108.7T314 G315 D316 G317 R318 E319 E320D312-T314 PolarHBondContact OD1-N 2.85Å; D312-G315 WeakPolarHBondContact OD1-CA 3.32Å; D312-G315 PolarHBondContact OD1-N 3.27Å; D312-G315 WeakPolarHBondContact OD2-CA 3.4Å; D312-D316 PolarHBondContact OD2-N 3.32Å; D312-G317 VanDerWaalsContact OD2-CA 3.23Å; D312-G317 WeakPolarHBondContact OD2-CA 3.28Å; D312-G317 PolarHBondContact OD2-N 3.3Å; D312-R318 WeakPolarHBondContact CB-O 3.43Å; D312-E319 HydrophobicContact CB-CG 4.29Å; D312-E320 WeakPolarHBondContact CA-OE2 3.39Å
313V91.3Very high92.9Very high0 Ų032 Ų320%018%0.178CC..SBendtrans-95.6-10.6177.2-62.10000112.3L311 E320 I332 V382 E383 L384 M387L311-V313 HydrophobicContact CB-CG1 4.35Å; L311-V313 HydrophobicContact CD2-CG1 3.81Å; L311-V313 HydrophobicContact CG-CG1 3.96Å; L311-V313 PolarHBondContact O-N 2.91Å; V313-E320 HydrophobicContact CG2-CB 4.25Å; V313-E320 HydrophobicContact CG2-CG 3.86Å; V313-E320 VanDerWaalsContact CG2-OE2 3.25Å; V313-E320 WeakPolarHBondContact CG2-OE2 3.08Å; V313-E320 PolarHBondContact N-OE2 2.94Å; V313-I332 HydrophobicContact CG1-CD1 4.41Å; V313-I332 HydrophobicContact CG1-CG2 4.39Å; V313-I332 HydrophobicContact CG2-CG2 3.86Å; V313-V382 HydrophobicContact CG1-CG1 4.12Å; V313-E383 CarbonylContact O-C 3.56Å; V313-E383 VanDerWaalsContact O-CA 3.26Å; V313-E383 WeakPolarHBondContact O-CA 3.46Å; V313-L384 HydrophobicContact CB-CD1 4.46Å; V313-L384 HydrophobicContact CG2-CD1 3.96Å; V313-L384 PolarHBondContact O-N 2.73Å; V313-M387 HydrophobicContact CG2-SD 4.03Å
314T89.3Confident93.1Very high36 Ų3629.7 Ų29.722%0.22117%0.167CC..SBendtrans-101-14.9-178.568.10000113.8D312 D316 L384 M387D312-T314 PolarHBondContact OD1-N 2.85Å; T314-D316 PolarHBondContact O-N 3.03Å; T314-D316 PolarHBondContact OG1-OD1 3.26Å; T314-D316 VanDerWaalsContact OG1-OD1 3.1Å; T314-L384 WeakPolarHBondContact CA-O 3.4Å; T314-M387 HydrophobicContact CG2-CG 3.72Å
315G87.1Confident93.3Very high65 Ų6524.6 Ų24.667%0.6714%0.144SC*.SBendtrans71.716.9-17600000113.4D312D312-G315 WeakPolarHBondContact OD1-CA 3.32Å; D312-G315 PolarHBondContact OD1-N 3.27Å; D312-G315 WeakPolarHBondContact OD2-CA 3.4Å
316D86.9Confident93.2Very high82 Ų8230.5 Ų30.544%0.43917%0.166SC..SBendtrans-90.9-0.9179.380.1-9.4000113.1D312 T314 R318D312-D316 PolarHBondContact OD2-N 3.32Å; T314-D316 PolarHBondContact O-N 3.03Å; T314-D316 PolarHBondContact OG1-OD1 3.26Å; T314-D316 VanDerWaalsContact OG1-OD1 3.1Å; D316-R318 VanDerWaalsContact C-N 3.3Å; D316-R318 WeakPolarHBondContact OD1-CA 3.49Å; D316-R318 WeakPolarHBondContact OD1-CB 3.3Å; D316-R318 WeakPolarHBondContact OD1-CG 3.4Å; D316-R318 PolarHBondContact OD1-N 3.41Å; D316-R318 WeakPolarHBondContact OD2-CD 3.3Å
317G85.6Confident93.2Very high29 Ų2932.5 Ų32.530%0.29918%0.178SC..SBendtrans84.5-2.6-17700000114S264 G266 D312S264-G317 WeakPolarHBondContact CB-O 3.2Å; S264-G317 PolarHBondContact OG-O 2.87Å; G266-G317 VanDerWaalsContact CA-O 3.26Å; G266-G317 WeakPolarHBondContact CA-O 3.47Å; G266-G317 PolarHBondContact N-O 3.25Å; D312-G317 VanDerWaalsContact OD2-CA 3.23Å; D312-G317 WeakPolarHBondContact OD2-CA 3.28Å; D312-G317 PolarHBondContact OD2-N 3.3Å
318R89.7Confident93.1Very high85 Ų8532.1 Ų32.132%0.32117%0.174SC..BIsolated β-bridgetrans-89.9128.2171.9-55.2-175.4161.4176.5-5.1108.1S264 K265 E269 D312 D316S264-R318 WeakPolarHBondContact O-CA 3.47Å; K265-R318 WeakPolarHBondContact O-CG 3.45Å; K265-R318 PolarHBondContact O-NE 3.09Å; E269-R318 IonicContact OE1-NH2 3.76Å; D312-R318 WeakPolarHBondContact CB-O 3.43Å; D316-R318 VanDerWaalsContact C-N 3.3Å; D316-R318 WeakPolarHBondContact OD1-CA 3.49Å; D316-R318 WeakPolarHBondContact OD1-CB 3.3Å; D316-R318 WeakPolarHBondContact OD1-CG 3.4Å; D316-R318 PolarHBondContact OD1-N 3.41Å; D316-R318 WeakPolarHBondContact OD2-CD 3.3Å
319E93.1Very high93Very high39 Ų3932.4 Ų32.418%0.18218%0.175CC..PPolyproline II helixtrans-88127.4179.3-73.4171.3144.900110.2I263 S264 K310 D312 H335I263-E319 WeakPolarHBondContact CA-OE2 3.25Å; I263-E319 HydrophobicContact CG2-CB 3.94Å; I263-E319 VanDerWaalsContact CG2-O 3.28Å; I263-E319 WeakPolarHBondContact CG2-O 3.47Å; S264-E319 WeakPolarHBondContact CB-OE2 3.49Å; S264-E319 PolarHBondContact N-OE2 3.29Å; S264-E319 PolarHBondContact O-N 2.92Å; K310-E319 HydrophobicContact CB-CB 4.41Å; K310-E319 WeakPolarHBondContact CD-OE2 3.25Å; K310-E319 VanDerWaalsContact NZ-CD 3.29Å; K310-E319 IonicContact NZ-OE1 3.69Å; K310-E319 PolarHBondContact NZ-OE1 3.27Å; K310-E319 IonicContact NZ-OE2 2.71Å; K310-E319 PolarHBondContact NZ-OE2 2.98Å; D312-E319 HydrophobicContact CB-CG 4.29Å; E319-H335 PolarHBondContact O-CE1 2.78Å
320E94.7Very high93.1Very high5 Ų530 Ų302%0.02316%0.164CC..EExtended strand (participates in β ladder)trans-79.8152.6169.8-7270.6-153.400111.6K310 L311 D312 V313 I332 D334 M387K310-E320 WeakPolarHBondContact CA-O 3.45Å; L311-E320 PolarHBondContact N-O 3.14Å; L311-E320 WeakPolarHBondContact O-CB 3.47Å; L311-E320 PolarHBondContact O-N 2.91Å; D312-E320 WeakPolarHBondContact CA-OE2 3.39Å; V313-E320 HydrophobicContact CG2-CB 4.25Å; V313-E320 HydrophobicContact CG2-CG 3.86Å; V313-E320 VanDerWaalsContact CG2-OE2 3.25Å; V313-E320 WeakPolarHBondContact CG2-OE2 3.08Å; V313-E320 PolarHBondContact N-OE2 2.94Å; E320-I332 HydrophobicContact CB-CG2 3.61Å; E320-I332 HydrophobicContact CG-CG2 4.03Å; E320-D334 HydrophobicContact CG-CB 4.12Å; E320-M387 HydrophobicContact CG-CE 4.05Å; E320-M387 HydrophobicContact CG-CG 4.33Å; E320-M387 HydrophobicContact CG-SD 4.4Å
321V96.3Very high93.1Very high3 Ų327.7 Ų27.72%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-84.6121.3172.7-179.30000108.8I263 A278 L288 W297 L308 I332 I333I263-V321 HydrophobicContact CD1-CG2 3.84Å; A278-V321 HydrophobicContact CB-CG1 3.88Å; A278-V321 HydrophobicContact CB-CG2 3.74Å; L288-V321 HydrophobicContact CD1-CG2 4.08Å; W297-V321 HydrophobicContact CZ2-CG2 4.35Å; L308-V321 HydrophobicContact CD1-CG1 3.46Å; L308-V321 VanDerWaalsContact CD1-CG1 3.46Å; L308-V321 HydrophobicContact CG-CG1 4.38Å; V321-I332 CarbonylContact O-C 3.5Å; V321-I332 WeakPolarHBondContact O-CA 3.39Å; V321-I333 PolarHBondContact N-O 3.13Å; V321-I333 PolarHBondContact O-N 2.69Å
322V96.9Very high93.2Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-110.2115.7179.1-171.30000109.8Q309 L311 T330 Y331 I332 F351 L367Q309-V322 HydrophobicContact CB-CB 4.49Å; Q309-V322 PolarHBondContact N-O 3.03Å; Q309-V322 PolarHBondContact O-N 2.99Å; L311-V322 HydrophobicContact CB-CG2 3.88Å; V322-T330 HydrophobicContact CG1-CG2 3.58Å; V322-Y331 CarbonylContact C-O 3.55Å; V322-Y331 VanDerWaalsContact CA-O 3.3Å; V322-Y331 WeakPolarHBondContact CA-O 3.07Å; V322-I332 HydrophobicContact CG1-CG1 4.24Å; V322-I332 HydrophobicContact CG2-CG1 4.25Å; V322-I332 HydrophobicContact CG2-CG2 4.34Å; V322-F351 HydrophobicContact CG1-CE1 4.05Å; V322-F351 HydrophobicContact CG1-CZ 3.68Å; V322-L367 HydrophobicContact CG1-CD2 3.99Å
323A96.9Very high93.2Very high1 Ų126.1 Ų26.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-116.2128.9178.200000111L286 L305 A307 L308 T330 Y331L286-A323 HydrophobicContact CD1-CB 3.94Å; L286-A323 HydrophobicContact CD2-CB 3.69Å; L286-A323 HydrophobicContact CG-CB 4.41Å; L305-A323 HydrophobicContact CD1-CB 4.14Å; L305-A323 HydrophobicContact CD2-CB 4.07Å; A307-A323 WeakPolarHBondContact O-CA 3.06Å; L308-A323 HydrophobicContact CD1-CB 3.91Å; A323-T330 CarbonylContact O-C 3.47Å; A323-T330 WeakPolarHBondContact O-CA 3.38Å; A323-Y331 PolarHBondContact N-O 2.87Å; A323-Y331 PolarHBondContact O-N 2.96Å
324C96.6Very high93.3Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-109.6138.1179.1-168.90000111.2L305 F306 A307 F351L305-C324 WeakPolarHBondContact CA-O 3.4Å; F306-C324 WeakPolarHBondContact CD1-O 3.25Å; F306-C324 HydrophobicContact CE1-CB 4.19Å; F306-C324 PolarHBondContact N-O 2.99Å; A307-C324 HydrophobicContact CB-CB 4.31Å; A307-C324 PolarHBondContact N-O 3.01Å; A307-C324 PolarHBondContact O-N 2.48Å; C324-F351 HydrophobicContact CB-CB 3.99Å; C324-F351 HydrophobicContact CB-CD1 3.57Å; C324-F351 HydrophobicContact CB-CD2 3.79Å; C324-F351 HydrophobicContact CB-CE1 3.9Å; C324-F351 HydrophobicContact CB-CE2 4.11Å; C324-F351 HydrophobicContact CB-CG 3.48Å; C324-F351 VanDerWaalsContact CB-CG 3.48Å; C324-F351 HydrophobicContact CB-CZ 4.15Å
325A96.2Very high93.3Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-100161.1171.200000112H303 Q304 L305 D327 G328 Q329H303-A325 HydrophobicContact CB-CB 3.78Å; Q304-A325 WeakPolarHBondContact O-CA 3.3Å; Q304-A325 WeakPolarHBondContact O-CB 3.33Å; L305-A325 HydrophobicContact CD2-CB 4.08Å; A325-D327 VanDerWaalsContact CB-OD1 3.25Å; A325-D327 WeakPolarHBondContact CB-OD1 3.3Å; A325-D327 PolarHBondContact O-N 2.98Å; A325-G328 PolarHBondContact O-N 3.32Å; A325-Q329 HydrophobicContact CB-CB 4.16Å; A325-Q329 PolarHBondContact N-O 2.79Å
326W92.9Very high93.4Very high123 Ų12328.8 Ų28.847%0.46614%0.142SC..THydrogen-bonded Turntrans-62.8-25.5-178.7-72-18.5000114.5L282 Q304 F306 G328 N347 V348L282-W326 HydrophobicContact CD1-CH2 4.43Å; L282-W326 HydrophobicContact CD1-CZ2 4.08Å; Q304-W326 PolarHBondContact O-N 3.31Å; F306-W326 AromaticContact CD1-CD1 3.05Å; F306-W326 HydrophobicContact CD1-CG 4.11Å; F306-W326 AromaticContact CD1-NE1 3.5Å; F306-W326 AromaticContact CD2-CD1 3.89Å; F306-W326 AromaticContact CD2-NE1 3.62Å; F306-W326 AromaticContact CE1-CD1 3.58Å; F306-W326 AromaticContact CG-CD1 3.21Å; F306-W326 HydrophobicContact CG-CG 4.43Å; F306-W326 AromaticContact CG-NE1 3.08Å; W326-G328 VanDerWaalsContact C-N 3.28Å; W326-G328 PolarHBondContact O-N 2.89Å; W326-N347 VanDerWaalsContact O-CA 3.28Å; W326-N347 WeakPolarHBondContact O-CA 3.39Å; W326-V348 PolarHBondContact O-N 2.95Å
327D93.2Very high93.6Very high58 Ų5831.8 Ų31.831%0.3115%0.147SC..THydrogen-bonded Turntrans-88.610-179.270.9-21.8000113.6H303 A325 Q329 Q343H303-D327 IonicContact CD2-OD2 3.85Å; H303-D327 PolarHBondContact CD2-OD2 3.35Å; H303-D327 IonicContact NE2-OD2 2.72Å; A325-D327 VanDerWaalsContact CB-OD1 3.25Å; A325-D327 WeakPolarHBondContact CB-OD1 3.3Å; A325-D327 PolarHBondContact O-N 2.98Å; D327-Q329 VanDerWaalsContact C-N 3.34Å; D327-Q329 WeakPolarHBondContact OD1-CB 3.39Å; D327-Q329 WeakPolarHBondContact OD1-CG 3.25Å; D327-Q329 PolarHBondContact OD1-N 3.46Å; D327-Q329 VanDerWaalsContact OD1-N 3.14Å; D327-Q329 WeakPolarHBondContact OD2-CG 3.36Å; D327-Q343 PolarHBondContact O-NE2 2.87Å; D327-Q343 VanDerWaalsContact O-NE2 3.12Å
328G92.4Very high93.9Very high0 Ų032 Ų320%014%0.142CC..SBendtrans85-0.318000000114.7A325 W326 T330 F344A325-G328 PolarHBondContact O-N 3.32Å; W326-G328 VanDerWaalsContact C-N 3.28Å; W326-G328 PolarHBondContact O-N 2.89Å; G328-T330 PolarHBondContact O-N 3.02Å; G328-F344 WeakPolarHBondContact O-CB 3.15Å; G328-F344 PolarHBondContact O-N 3.45Å
329Q95.4Very high94.1Very high15 Ų1528.8 Ų28.87%0.0713%0.133CC..EExtended strand (participates in β ladder)trans-69.1121.7171.5-63.9-74.96.400110.4A325 D327 Y331A325-Q329 HydrophobicContact CB-CB 4.16Å; A325-Q329 PolarHBondContact N-O 2.79Å; D327-Q329 VanDerWaalsContact C-N 3.34Å; D327-Q329 WeakPolarHBondContact OD1-CB 3.39Å; D327-Q329 WeakPolarHBondContact OD1-CG 3.25Å; D327-Q329 PolarHBondContact OD1-N 3.46Å; D327-Q329 VanDerWaalsContact OD1-N 3.14Å; D327-Q329 WeakPolarHBondContact OD2-CG 3.36Å; Q329-Y331 HydrophobicContact CB-CE2 4.17Å
330T96.4Very high94.1Very high0 Ų027 Ų270%012%0.124CC..EExtended strand (participates in β ladder)trans-115.3127.3175.8-52.20000109.8V322 A323 G328 R341 F342 F351 Y369V322-T330 HydrophobicContact CG1-CG2 3.58Å; A323-T330 CarbonylContact O-C 3.47Å; A323-T330 WeakPolarHBondContact O-CA 3.38Å; G328-T330 PolarHBondContact O-N 3.02Å; T330-R341 CarbonylContact O-C 3.56Å; T330-R341 VanDerWaalsContact O-CA 3.31Å; T330-R341 WeakPolarHBondContact O-CA 3.45Å; T330-F342 PolarHBondContact N-O 3.03Å; T330-F342 PolarHBondContact O-N 2.84Å; T330-F351 HydrophobicContact CG2-CE2 4.43Å; T330-F351 HydrophobicContact CG2-CZ 4.19Å; T330-Y369 WeakPolarHBondContact CB-OH 3.24Å; T330-Y369 WeakPolarHBondContact OG1-CE1 3.31Å; T330-Y369 PolarHBondContact OG1-OH 3.06Å
331Y96.1Very high94Very high6 Ų630.4 Ų30.42%0.02414%0.137CC..EExtended strand (participates in β ladder)trans-107.3126.6177.8-63.2-77.7000109.7M1 V301 H303 L305 V322 A323 Q329 V339 V340 R341M1-Y331 HydrophobicContact CE-CD1 3.62Å; M1-Y331 HydrophobicContact CE-CE1 3.35Å; M1-Y331 HydrophobicContact SD-CD1 4.24Å; M1-Y331 HydrophobicContact SD-CE1 3.74Å; V301-Y331 HydrophobicContact CB-CE1 4.47Å; V301-Y331 HydrophobicContact CB-CE2 4.01Å; V301-Y331 HydrophobicContact CG1-CD1 4.19Å; V301-Y331 HydrophobicContact CG1-CD2 4.29Å; V301-Y331 HydrophobicContact CG1-CE1 3.89Å; V301-Y331 HydrophobicContact CG1-CE2 4Å; V301-Y331 HydrophobicContact CG1-CG 4.34Å; V301-Y331 HydrophobicContact CG2-CD2 4.4Å; V301-Y331 HydrophobicContact CG2-CE2 3.89Å; H303-Y331 HydrophobicContact CB-CE2 4.48Å; H303-Y331 PolarHBondContact CE1-OH 3.46Å; H303-Y331 AromaticContact ND1-CZ 3.86Å; H303-Y331 PolarHBondContact ND1-OH 2.87Å; L305-Y331 HydrophobicContact CD2-CD2 3.75Å; L305-Y331 HydrophobicContact CD2-CE2 4Å; V322-Y331 CarbonylContact C-O 3.55Å; V322-Y331 VanDerWaalsContact CA-O 3.3Å; V322-Y331 WeakPolarHBondContact CA-O 3.07Å; A323-Y331 PolarHBondContact N-O 2.87Å; A323-Y331 PolarHBondContact O-N 2.96Å; Q329-Y331 HydrophobicContact CB-CE2 4.17Å; Y331-V339 HydrophobicContact CD1-CG1 4.01Å; Y331-V340 WeakPolarHBondContact CA-O 3.29Å; Y331-R341 HydrophobicContact CD1-CB 4.39Å; Y331-R341 HydrophobicContact CD1-CG 4.17Å; Y331-R341 HydrophobicContact CE1-CB 4.45Å; Y331-R341 HydrophobicContact CE1-CG 3.95Å
332I95.6Very high94Very high0 Ų030.5 Ų30.50%014%0.137CC..EExtended strand (participates in β ladder)trans-112.4122.4173-53.4170.1000106.3F6 V313 E320 V321 V322 V340 M387F6-I332 HydrophobicContact CE2-CD1 4.46Å; F6-I332 HydrophobicContact CZ-CD1 4.4Å; V313-I332 HydrophobicContact CG1-CD1 4.41Å; V313-I332 HydrophobicContact CG1-CG2 4.39Å; V313-I332 HydrophobicContact CG2-CG2 3.86Å; E320-I332 HydrophobicContact CB-CG2 3.61Å; E320-I332 HydrophobicContact CG-CG2 4.03Å; V321-I332 CarbonylContact O-C 3.5Å; V321-I332 WeakPolarHBondContact O-CA 3.39Å; V322-I332 HydrophobicContact CG1-CG1 4.24Å; V322-I332 HydrophobicContact CG2-CG1 4.25Å; V322-I332 HydrophobicContact CG2-CG2 4.34Å; I332-V340 HydrophobicContact CB-CB 4.48Å; I332-V340 PolarHBondContact N-O 3.17Å; I332-V340 PolarHBondContact O-N 3.17Å; I332-M387 HydrophobicContact CB-CE 4.22Å; I332-M387 HydrophobicContact CG2-CE 3.72Å; I332-M387 HydrophobicContact CG2-SD 4.2Å; I332-M387 WeakPolarHBondContact O-CE 3.35Å
333I95.1Very high93.9Very high1 Ų133.5 Ų33.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-127125.3-174.5-47.7-173.8000109.2L286 W297 V299 V321 T338 V339L286-I333 HydrophobicContact CB-CD1 4.47Å; L286-I333 HydrophobicContact CD1-CD1 3.57Å; W297-I333 HydrophobicContact CH2-CB 3.91Å; W297-I333 HydrophobicContact CH2-CD1 3.93Å; W297-I333 HydrophobicContact CH2-CG1 4.48Å; W297-I333 HydrophobicContact CH2-CG2 3.61Å; W297-I333 HydrophobicContact CZ2-CB 3.97Å; W297-I333 HydrophobicContact CZ2-CG2 3.45Å; W297-I333 VanDerWaalsContact CZ2-CG2 3.45Å; W297-I333 HydrophobicContact CZ3-CD1 4.12Å; W297-I333 HydrophobicContact CZ3-CG2 4.19Å; V299-I333 HydrophobicContact CB-CD1 4.3Å; V299-I333 HydrophobicContact CG1-CD1 4.33Å; V299-I333 HydrophobicContact CG2-CD1 4.37Å; V321-I333 PolarHBondContact N-O 3.13Å; V321-I333 PolarHBondContact O-N 2.69Å; I333-T338 WeakPolarHBondContact CA-O 3.5Å; I333-V339 HydrophobicContact CD1-CG1 4.34Å; I333-V339 HydrophobicContact CD1-CG2 4.03Å; I333-V339 HydrophobicContact CG1-CB 4.43Å; I333-V339 HydrophobicContact CG1-CG1 4Å; I333-V339 HydrophobicContact CG1-CG2 4.01Å; I333-V339 HydrophobicContact CG2-CG2 4.11Å
334D92.3Very high93.7Very high14 Ų1433.6 Ų33.68%0.07515%0.151CC..  trans-81.4178175.473.29.7000112.5W297 E320 N336 R337 T338 M387W297-D334 PolarHBondContact NE1-O 2.6Å; E320-D334 HydrophobicContact CG-CB 4.12Å; D334-N336 PolarHBondContact O-N 3.01Å; D334-N336 VanDerWaalsContact OD1-CA 3.26Å; D334-N336 WeakPolarHBondContact OD1-CA 3.47Å; D334-N336 WeakPolarHBondContact OD1-CB 3.49Å; D334-N336 PolarHBondContact OD1-N 3.39Å; D334-R337 PolarHBondContact O-N 3.01Å; D334-R337 PolarHBondContact OD1-N 3.17Å; D334-T338 VanDerWaalsContact CG-CB 3.44Å; D334-T338 PolarHBondContact N-O 2.99Å; D334-T338 WeakPolarHBondContact OD1-CB 3.18Å; D334-T338 PolarHBondContact OD1-N 2.9Å; D334-T338 PolarHBondContact OD1-OG1 2.81Å; D334-T338 WeakPolarHBondContact OD2-CB 3.41Å; D334-T338 PolarHBondContact OD2-OG1 2.8Å; D334-M387 HydrophobicContact CB-CB 4.27Å; D334-M387 HydrophobicContact CB-CE 4.12Å; D334-M387 HydrophobicContact CB-CG 4.16Å
335H90.6Very high93.4Very high40 Ų4039.9 Ų39.919%0.18519%0.185CC..THydrogen-bonded Turntrans-64-26176.2-66.873.4000112.9S264 L276 E319 R337S264-H335 PolarHBondContact O-CE1 3Å; S264-H335 PolarHBondContact O-NE2 2.84Å; L276-H335 WeakPolarHBondContact CD1-CD2 3.45Å; L276-H335 VanDerWaalsContact CD1-NE2 3.3Å; L276-H335 WeakPolarHBondContact CD1-NE2 3.21Å; E319-H335 PolarHBondContact O-CE1 2.78Å; H335-R337 VanDerWaalsContact C-N 3.31Å; H335-R337 PolarHBondContact O-N 2.66Å
336N89.2Confident93.3Very high104 Ų10442 Ų4256%0.55620%0.195SC*.THydrogen-bonded Turntrans-87.76.5-179.8-66.3-12.5000113.1D334 T338 E388D334-N336 PolarHBondContact O-N 3.01Å; D334-N336 VanDerWaalsContact OD1-CA 3.26Å; D334-N336 WeakPolarHBondContact OD1-CA 3.47Å; D334-N336 WeakPolarHBondContact OD1-CB 3.49Å; D334-N336 PolarHBondContact OD1-N 3.39Å; N336-T338 PolarHBondContact O-N 3.27Å; N336-E388 PolarHBondContact ND2-OE1 2.87Å; N336-E388 VanDerWaalsContact ND2-OE1 3.08Å
337R91.5Very high93.3Very high144 Ų14441 Ų4154%0.54320%0.198SC..  trans67.419.6-176.9-159.4-165.6-179.3-1610.9113.6W297 S298 V299 D334 H335 V339W297-R337 HydrophobicContact CB-CB 4.09Å; W297-R337 HydrophobicContact CB-CG 3.89Å; W297-R337 HydrophobicContact CD2-CG 4.29Å; W297-R337 HydrophobicContact CG-CB 4.02Å; W297-R337 HydrophobicContact CG-CG 4.03Å; S298-R337 PolarHBondContact O-NE 2.96Å; S298-R337 PolarHBondContact O-NH2 3.22Å; V299-R337 HydrophobicContact CG2-CG 3.64Å; D334-R337 PolarHBondContact O-N 3.01Å; D334-R337 PolarHBondContact OD1-N 3.17Å; H335-R337 VanDerWaalsContact C-N 3.31Å; H335-R337 PolarHBondContact O-N 2.66Å; R337-V339 PolarHBondContact O-N 2.84Å
338T91.6Very high93.4Very high33 Ų3338.2 Ų38.220%0.20218%0.184CC..  trans-73125.6169-47.10000109.1I333 D334 N336 M387 E388I333-T338 WeakPolarHBondContact CA-O 3.5Å; D334-T338 VanDerWaalsContact CG-CB 3.44Å; D334-T338 PolarHBondContact N-O 2.99Å; D334-T338 WeakPolarHBondContact OD1-CB 3.18Å; D334-T338 PolarHBondContact OD1-N 2.9Å; D334-T338 PolarHBondContact OD1-OG1 2.81Å; D334-T338 WeakPolarHBondContact OD2-CB 3.41Å; D334-T338 PolarHBondContact OD2-OG1 2.8Å; N336-T338 PolarHBondContact O-N 3.27Å; T338-M387 HydrophobicContact CG2-CB 4.4Å; T338-M387 WeakPolarHBondContact CG2-O 3.45Å; T338-E388 HydrophobicContact CG2-CG 4.38Å
339V92.8Very high93.4Very high19 Ų1939.7 Ų39.712%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-110.9127.3-177.4-170.20000111.3M1 R2 V299 Y331 I333 R337M1-V339 WeakPolarHBondContact CA-O 3.36Å; M1-V339 HydrophobicContact CE-CB 4.1Å; M1-V339 HydrophobicContact CE-CG1 3.39Å; M1-V339 HydrophobicContact CG-CB 4.37Å; M1-V339 HydrophobicContact CG-CG1 4.09Å; M1-V339 HydrophobicContact SD-CG1 4.44Å; R2-V339 PolarHBondContact N-O 2.98Å; V299-V339 HydrophobicContact CG1-CG2 4.43Å; V299-V339 HydrophobicContact CG2-CG2 4.43Å; Y331-V339 HydrophobicContact CD1-CG1 4.01Å; I333-V339 HydrophobicContact CD1-CG1 4.34Å; I333-V339 HydrophobicContact CD1-CG2 4.03Å; I333-V339 HydrophobicContact CG1-CB 4.43Å; I333-V339 HydrophobicContact CG1-CG1 4Å; I333-V339 HydrophobicContact CG1-CG2 4.01Å; I333-V339 HydrophobicContact CG2-CG2 4.11Å; R337-V339 PolarHBondContact O-N 2.84Å
340V93.1Very high93.4Very high0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-117.3140.5173.5-174.80000108.8R2 L4 Y331 I332 L384 M387R2-V340 CarbonylContact O-C 3.45Å; R2-V340 WeakPolarHBondContact O-CA 3.17Å; L4-V340 HydrophobicContact CB-CG1 4.43Å; L4-V340 HydrophobicContact CD1-CB 4.44Å; L4-V340 HydrophobicContact CD1-CG1 3.14Å; L4-V340 HydrophobicContact CD2-CG1 3.96Å; L4-V340 HydrophobicContact CG-CG1 3.22Å; Y331-V340 WeakPolarHBondContact CA-O 3.29Å; I332-V340 HydrophobicContact CB-CB 4.48Å; I332-V340 PolarHBondContact N-O 3.17Å; I332-V340 PolarHBondContact O-N 3.17Å; V340-L384 HydrophobicContact CG1-CD1 4.45Å; V340-M387 HydrophobicContact CB-CE 4.11Å; V340-M387 HydrophobicContact CB-SD 4.26Å; V340-M387 HydrophobicContact CG2-CE 3.67Å; V340-M387 HydrophobicContact CG2-SD 3.63Å
341R93.8Very high93.4Very high78 Ų7839.3 Ų39.329%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-122.9136-175.4-170.1-178.771.1175.80.5110.5M1 R2 S3 L4 T330 Y331M1-R341 HydrophobicContact CG-CB 3.98Å; M1-R341 HydrophobicContact SD-CB 3.88Å; M1-R341 HydrophobicContact SD-CG 4.37Å; R2-R341 PolarHBondContact O-N 2.72Å; S3-R341 CarbonylContact C-O 3.57Å; S3-R341 VanDerWaalsContact CA-O 3.3Å; S3-R341 WeakPolarHBondContact CA-O 3.49Å; L4-R341 PolarHBondContact N-O 3.22Å; T330-R341 CarbonylContact O-C 3.56Å; T330-R341 VanDerWaalsContact O-CA 3.31Å; T330-R341 WeakPolarHBondContact O-CA 3.45Å; Y331-R341 HydrophobicContact CD1-CB 4.39Å; Y331-R341 HydrophobicContact CD1-CG 4.17Å; Y331-R341 HydrophobicContact CE1-CB 4.45Å; Y331-R341 HydrophobicContact CE1-CG 3.95Å
342F94.5Very high93.3Very high5 Ų539.4 Ų39.42%0.02219%0.191CC..EExtended strand (participates in β ladder)trans-122.6135.7171.6172.4-109.5000109.1L4 F6 T330 F344 L367 Y369 Y379L4-F342 WeakPolarHBondContact O-CD2 3.12Å; F6-F342 HydrophobicContact CB-CE2 4.13Å; F6-F342 HydrophobicContact CB-CZ 4.43Å; F6-F342 HydrophobicContact CD2-CB 4.31Å; F6-F342 HydrophobicContact CD2-CD1 4.05Å; F6-F342 AromaticContact CD2-CD2 3.5Å; F6-F342 HydrophobicContact CD2-CD2 3.5Å; F6-F342 HydrophobicContact CD2-CE1 4.26Å; F6-F342 AromaticContact CD2-CE2 3.77Å; F6-F342 HydrophobicContact CD2-CE2 3.77Å; F6-F342 AromaticContact CD2-CG 3.67Å; F6-F342 HydrophobicContact CD2-CG 3.67Å; F6-F342 HydrophobicContact CD2-CZ 4.13Å; F6-F342 HydrophobicContact CE2-CB 4.01Å; F6-F342 HydrophobicContact CE2-CD1 4.41Å; F6-F342 HydrophobicContact CE2-CD2 4.04Å; F6-F342 AromaticContact CE2-CG 3.88Å; F6-F342 HydrophobicContact CE2-CG 3.88Å; F6-F342 HydrophobicContact CG-CD2 4.4Å; F6-F342 HydrophobicContact CG-CE2 4.37Å; T330-F342 PolarHBondContact N-O 3.03Å; T330-F342 PolarHBondContact O-N 2.84Å; F342-F344 HydrophobicContact CE1-CB 4.3Å; F342-L367 HydrophobicContact CD1-CD1 4.49Å; F342-Y369 WeakPolarHBondContact CD1-OH 3.3Å; F342-Y369 HydrophobicContact CE1-CE2 4.03Å; F342-Y379 HydrophobicContact CE1-CD2 4.43Å; F342-Y379 HydrophobicContact CE1-CE1 4.41Å; F342-Y379 HydrophobicContact CE1-CE2 4.29Å; F342-Y379 HydrophobicContact CE2-CE1 4.43Å; F342-Y379 HydrophobicContact CZ-CD1 4.01Å; F342-Y379 AromaticContact CZ-CE1 3.61Å; F342-Y379 HydrophobicContact CZ-CE1 3.61Å; F342-Y379 HydrophobicContact CZ-CE2 4.2Å; F342-Y379 HydrophobicContact CZ-CG 4.43Å; F342-Y379 AromaticContact CZ-CZ 3.72Å
343Q94.6Very high93.3Very high62 Ų6239.8 Ų39.829%0.2919%0.194SC..EExtended strand (participates in β ladder)trans-102.4120.9176.517773.558.300109D327D327-Q343 PolarHBondContact O-NE2 2.87Å; D327-Q343 VanDerWaalsContact O-NE2 3.12Å
344F94.4Very high93.3Very high4 Ų440.4 Ų40.42%0.01820%0.201CC..  trans-92.2137.8162.5176.8-115000109.9G328 F342 E346 V348 Y369 Y377 Y379G328-F344 WeakPolarHBondContact O-CB 3.15Å; G328-F344 PolarHBondContact O-N 3.45Å; F342-F344 HydrophobicContact CE1-CB 4.3Å; F344-E346 VanDerWaalsContact C-N 3.3Å; F344-E346 HydrophobicContact CD1-CB 4.33Å; F344-E346 WeakPolarHBondContact CD1-O 3.39Å; F344-E346 HydrophobicContact CE1-CB 3.58Å; F344-E346 HydrophobicContact CE1-CG 4.39Å; F344-E346 WeakPolarHBondContact CE1-O 3.32Å; F344-E346 HydrophobicContact CZ-CB 3.88Å; F344-E346 HydrophobicContact CZ-CG 4.21Å; F344-E346 PolarHBondContact O-N 2.73Å; F344-V348 HydrophobicContact CD1-CG2 3.71Å; F344-V348 HydrophobicContact CE1-CG2 4.2Å; F344-Y369 HydrophobicContact CB-CD1 4.19Å; F344-Y369 HydrophobicContact CB-CE1 4.07Å; F344-Y369 AromaticContact CD1-CD1 3.97Å; F344-Y369 HydrophobicContact CD1-CD1 3.97Å; F344-Y369 HydrophobicContact CD1-CG 4.12Å; F344-Y369 HydrophobicContact CD2-CD2 4.37Å; F344-Y369 HydrophobicContact CD2-CG 4.29Å; F344-Y369 HydrophobicContact CE1-CG 4.41Å; F344-Y369 HydrophobicContact CG-CD1 4.04Å; F344-Y369 HydrophobicContact CG-CD2 4.45Å; F344-Y369 HydrophobicContact CG-CE1 4.41Å; F344-Y369 HydrophobicContact CG-CG 4.06Å; F344-Y377 AromaticContact CE2-CD2 3.74Å; F344-Y377 HydrophobicContact CE2-CD2 3.74Å; F344-Y377 HydrophobicContact CE2-CE2 4.25Å; F344-Y377 AromaticContact CE2-CG 3.91Å; F344-Y377 HydrophobicContact CE2-CG 3.91Å; F344-Y377 AromaticContact CZ-CD2 3.4Å; F344-Y377 HydrophobicContact CZ-CD2 3.4Å; F344-Y377 VanDerWaalsContact CZ-CD2 3.4Å; F344-Y377 AromaticContact CZ-CE2 3.78Å; F344-Y377 HydrophobicContact CZ-CE2 3.78Å; F344-Y377 HydrophobicContact CZ-CG 4.06Å; F344-Y379 AromaticContact CD2-CE2 3.79Å; F344-Y379 HydrophobicContact CD2-CE2 3.79Å; F344-Y379 HydrophobicContact CE2-CE2 4.12Å
345D90.4Very high93.3Very high132 Ų13242.9 Ų42.971%0.70621%0.212SC*.SBendtrans-78.7-7.8-166.8-64.2-40000114.6
346E92.9Very high93.4Very high44 Ų4441 Ų4121%0.20620%0.204CC..SBendtrans-122.9161.3-178.1-53.3-178.3-157.800111.8F344 S371 N373 Y377F344-E346 VanDerWaalsContact C-N 3.3Å; F344-E346 HydrophobicContact CD1-CB 4.33Å; F344-E346 WeakPolarHBondContact CD1-O 3.39Å; F344-E346 HydrophobicContact CE1-CB 3.58Å; F344-E346 HydrophobicContact CE1-CG 4.39Å; F344-E346 WeakPolarHBondContact CE1-O 3.32Å; F344-E346 HydrophobicContact CZ-CB 3.88Å; F344-E346 HydrophobicContact CZ-CG 4.21Å; F344-E346 PolarHBondContact O-N 2.73Å; E346-S371 WeakPolarHBondContact OE2-CB 3.16Å; E346-S371 PolarHBondContact OE2-OG 2.85Å; E346-N373 PolarHBondContact OE2-ND2 2.74Å; E346-Y377 PolarHBondContact OE1-OH 2.72Å
347N93.7Very high93.5Very high101 Ų10136.1 Ų36.154%0.5418%0.177SC..  trans-69141172.7-67.8-14.6000110.8W326 F372W326-N347 VanDerWaalsContact O-CA 3.28Å; W326-N347 WeakPolarHBondContact O-CA 3.39Å; N347-F372 HydrophobicContact CB-CD2 3.81Å; N347-F372 HydrophobicContact CB-CE2 4.19Å
348V94.8Very high93.3Very high1 Ų129.4 Ų29.41%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-103.7122.9-172.3-168.80000110.2F306 W326 F344 A350 F351 Y369F306-V348 HydrophobicContact CE1-CB 4.21Å; F306-V348 HydrophobicContact CE1-CG1 4.34Å; F306-V348 HydrophobicContact CZ-CB 4.05Å; F306-V348 HydrophobicContact CZ-CG1 3.78Å; W326-V348 PolarHBondContact O-N 2.95Å; F344-V348 HydrophobicContact CD1-CG2 3.71Å; F344-V348 HydrophobicContact CE1-CG2 4.2Å; V348-A350 WeakPolarHBondContact CG1-O 3.3Å; V348-F351 HydrophobicContact CG1-CB 4.15Å; V348-Y369 HydrophobicContact CG1-CD1 4.13Å; V348-Y369 HydrophobicContact CG2-CD1 3.81Å; V348-Y369 HydrophobicContact CG2-CE1 4.49Å
349N93.4Very high92.6Very high31 Ų3134.1 Ų34.117%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-85.2-45.1174.1-179.541.1000111.7M18 V370 F372M18-N349 PolarHBondContact O-ND2 2.8Å; M18-N349 VanDerWaalsContact O-ND2 3.08Å; N349-V370 PolarHBondContact N-O 3.24Å; N349-F372 HydrophobicContact CB-CD1 4.11Å; N349-F372 HydrophobicContact CB-CD2 4.16Å; N349-F372 HydrophobicContact CB-CE1 3.89Å; N349-F372 HydrophobicContact CB-CE2 3.95Å; N349-F372 HydrophobicContact CB-CG 4.24Å; N349-F372 HydrophobicContact CB-CZ 3.81Å
350A94.2Very high91.9Very high0 Ų038.4 Ų38.40%019%0.189CC..EExtended strand (participates in β ladder)trans-140.6147.4176.800000109.8M18 I23 V348 V370M18-A350 HydrophobicContact CE-CB 4.36Å; M18-A350 HydrophobicContact SD-CB 4.41Å; I23-A350 HydrophobicContact CG2-CB 4.17Å; V348-A350 WeakPolarHBondContact CG1-O 3.3Å; A350-V370 HydrophobicContact CB-CB 3.98Å; A350-V370 HydrophobicContact CB-CG2 3.95Å; A350-V370 PolarHBondContact N-O 2.85Å; A350-V370 PolarHBondContact O-N 3.35Å
351F96.1Very high91.4Very high6 Ų640.5 Ų40.53%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-135.7132.5-177.3174.7-99.3000110.2F306 A307 Q309 V322 C324 T330 V348 A353 L367 V368 Y369F306-F351 HydrophobicContact CZ-CB 3.98Å; A307-F351 HydrophobicContact CB-CB 3.83Å; A307-F351 HydrophobicContact CB-CD1 3.73Å; A307-F351 HydrophobicContact CB-CG 4.22Å; Q309-F351 HydrophobicContact CB-CE1 4.21Å; Q309-F351 HydrophobicContact CG-CD1 4.01Å; Q309-F351 HydrophobicContact CG-CE1 3.81Å; V322-F351 HydrophobicContact CG1-CE1 4.05Å; V322-F351 HydrophobicContact CG1-CZ 3.68Å; C324-F351 HydrophobicContact CB-CB 3.99Å; C324-F351 HydrophobicContact CB-CD1 3.57Å; C324-F351 HydrophobicContact CB-CD2 3.79Å; C324-F351 HydrophobicContact CB-CE1 3.9Å; C324-F351 HydrophobicContact CB-CE2 4.11Å; C324-F351 HydrophobicContact CB-CG 3.48Å; C324-F351 VanDerWaalsContact CB-CG 3.48Å; C324-F351 HydrophobicContact CB-CZ 4.15Å; T330-F351 HydrophobicContact CG2-CE2 4.43Å; T330-F351 HydrophobicContact CG2-CZ 4.19Å; V348-F351 HydrophobicContact CG1-CB 4.15Å; F351-A353 HydrophobicContact CE1-CB 4.18Å; F351-A353 HydrophobicContact CZ-CB 4.07Å; F351-L367 HydrophobicContact CE2-CB 4.36Å; F351-L367 HydrophobicContact CE2-CD2 4.23Å; F351-L367 HydrophobicContact CZ-CD2 3.88Å; F351-V368 WeakPolarHBondContact CA-O 3.48Å; F351-Y369 AromaticContact CD2-CD1 3.74Å; F351-Y369 HydrophobicContact CD2-CD1 3.74Å; F351-Y369 AromaticContact CD2-CE1 3.55Å; F351-Y369 HydrophobicContact CD2-CE1 3.55Å; F351-Y369 HydrophobicContact CD2-CG 4.44Å; F351-Y369 HydrophobicContact CE2-CD1 4.16Å; F351-Y369 AromaticContact CE2-CE1 3.55Å; F351-Y369 HydrophobicContact CE2-CE1 3.55Å; F351-Y369 HydrophobicContact CE2-CE2 4.37Å; F351-Y369 AromaticContact CE2-CZ 3.67Å
352C94.9Very high91.1Very high9 Ų943.8 Ų43.86%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-135.5144.3173.9-172.60000108.9I23 V368I23-C352 HydrophobicContact CD1-CB 4.06Å; I23-C352 HydrophobicContact CG1-CB 4Å; I23-C352 HydrophobicContact CG2-CB 4.11Å; C352-V368 HydrophobicContact CB-CB 4.31Å; C352-V368 PolarHBondContact N-O 2.83Å; C352-V368 WeakPolarHBondContact O-CA 3.25Å; C352-V368 PolarHBondContact O-N 2.78Å
353A95.9Very high90.9Very high8 Ų846.2 Ų46.27%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-133.7144.7172.900000108.2Q309 L311 F351 C366 L367Q309-A353 HydrophobicContact CB-CB 3.68Å; Q309-A353 HydrophobicContact CG-CB 4.07Å; L311-A353 HydrophobicContact CD2-CB 4.37Å; F351-A353 HydrophobicContact CE1-CB 4.18Å; F351-A353 HydrophobicContact CZ-CB 4.07Å; A353-C366 WeakPolarHBondContact CA-O 3.38Å; A353-L367 HydrophobicContact CB-CD2 3.7Å
354G93.8Very high90.8Very high14 Ų1443.8 Ų43.814%0.14423%0.229CC..EExtended strand (participates in β ladder)trans167.1-164.6-175.800000111.4C366G354-C366 PolarHBondContact N-O 2.99Å; G354-C366 PolarHBondContact O-N 2.92Å; G354-C366 PolarHBondContact O-SG 3.39Å
355Q93.4Very high90.8Very high66 Ų6644 Ų4431%0.30823%0.232SC..EExtended strand (participates in β ladder)trans-90.1129.5176.2-63.4-60.6-33.200109.4N34 N363 S364N34-Q355 WeakPolarHBondContact CB-O 3Å; N34-Q355 WeakPolarHBondContact ND2-CB 3.49Å; N34-Q355 PolarHBondContact ND2-O 3.5Å; Q355-N363 HydrophobicContact CB-CB 4.14Å; Q355-S364 PolarHBondContact OE1-O 2.81Å
356Y92.8Very high91Very high1 Ų137.8 Ų37.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-136.1141.9176.8178.8-106.8000110.5L25 N34 L36 N50 C358 S364 C366 I378L25-Y356 HydrophobicContact CD2-CD2 3.68Å; L25-Y356 HydrophobicContact CD2-CG 4.21Å; N34-Y356 WeakPolarHBondContact O-CD2 3.34Å; L36-Y356 HydrophobicContact CB-CD2 4.16Å; L36-Y356 HydrophobicContact CB-CE2 3.68Å; N50-Y356 PolarHBondContact N-OH 3.2Å; N50-Y356 VanDerWaalsContact O-CE1 3.26Å; N50-Y356 WeakPolarHBondContact O-CE1 3.18Å; N50-Y356 VanDerWaalsContact O-CZ 3.29Å; N50-Y356 PolarHBondContact O-OH 2.7Å; Y356-C358 HydrophobicContact CD1-CB 4.2Å; Y356-C358 HydrophobicContact CE1-CB 4.19Å; Y356-S364 PolarHBondContact N-O 2.92Å; Y356-S364 PolarHBondContact O-N 3.5Å; Y356-S364 PolarHBondContact O-OG 3.45Å; Y356-C366 WeakPolarHBondContact CB-SG 3.3Å; Y356-I378 HydrophobicContact CD1-CD1 4.13Å; Y356-I378 HydrophobicContact CD1-CG2 3.98Å; Y356-I378 HydrophobicContact CE1-CD1 3.64Å; Y356-I378 HydrophobicContact CE1-CG2 4.33Å; Y356-I378 HydrophobicContact CE2-CD1 4.4Å
357T91.8Very high91.2Very high1 Ų135.7 Ų35.71%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-90.5115174.4-70.30000111.1L33 N34 N50 N363L33-T357 HydrophobicContact CB-CG2 4.12Å; L33-T357 WeakPolarHBondContact CB-OG1 3.18Å; L33-T357 HydrophobicContact CD1-CG2 4.15Å; L33-T357 HydrophobicContact CD2-CG2 4.1Å; L33-T357 WeakPolarHBondContact CD2-OG1 3.19Å; L33-T357 HydrophobicContact CG-CG2 4.34Å; N34-T357 PolarHBondContact O-N 3.14Å; N34-T357 VanDerWaalsContact O-N 3.15Å; N50-T357 VanDerWaalsContact CA-O 3.3Å; N50-T357 WeakPolarHBondContact CA-O 3.45Å; N50-T357 PolarHBondContact N-O 3.47Å; T357-N363 PolarHBondContact OG1-N 3.43Å; T357-N363 PolarHBondContact OG1-OD1 2.79Å
358C85.6Confident91.3Very high2 Ų230.9 Ų30.91%0.01416%0.162CC..  trans-110.3-142.7173.5-161.70000109.9Y356 E360 G361 W380Y356-C358 HydrophobicContact CD1-CB 4.2Å; Y356-C358 HydrophobicContact CE1-CB 4.19Å; C358-E360 PolarHBondContact O-N 3.02Å; C358-G361 PolarHBondContact O-N 3.09Å; C358-W380 HydrophobicContact CB-CB 4.17Å; C358-W380 HydrophobicContact CB-CD2 4.22Å; C358-W380 HydrophobicContact CB-CE3 4.28Å; C358-W380 HydrophobicContact CB-CG 4.16Å
359K78.1Confident91.4Very high133 Ų13330.8 Ų30.858%0.57816%0.162SC*.THydrogen-bonded Turntrans-57.4-19.6-171.5-70.2-178.7170.8178.90116.7D51 W380D51-K359 HydrophobicContact CB-CG 3.8Å; D51-K359 WeakPolarHBondContact OD2-CE 2.87Å; D51-K359 WeakPolarHBondContact OD2-CG 3.47Å; D51-K359 IonicContact OD2-NZ 3.93Å; K359-W380 HydrophobicContact CB-CH2 4.48Å; K359-W380 HydrophobicContact CD-CZ2 4.31Å
360E77.1Confident91.4Very high109 Ų10929.4 Ų29.451%0.50916%0.155SC..THydrogen-bonded Turntrans-942.9-172.9-61.4-163.4148.300114.3C358 K362 W380 K381C358-E360 PolarHBondContact O-N 3.02Å; E360-K362 PolarHBondContact O-N 3.18Å; E360-K362 VanDerWaalsContact O-N 3.15Å; E360-W380 HydrophobicContact CG-CZ3 4.18Å; E360-K381 VanDerWaalsContact OE1-CE 3.25Å; E360-K381 WeakPolarHBondContact OE1-CE 3.33Å; E360-K381 IonicContact OE1-NZ 2.65Å; E360-K381 PolarHBondContact OE1-NZ 3.44Å; E360-K381 WeakPolarHBondContact OE2-CE 3.42Å; E360-K381 IonicContact OE2-NZ 3.6Å; E360-K381 PolarHBondContact OE2-NZ 3.12Å
361G82.3Confident91.4Very high43 Ų4329.6 Ų29.644%0.44316%0.156SC..SBendtrans58.327.2-177.500000112.5C358C358-G361 PolarHBondContact O-N 3.09Å
362K88.9Confident91Very high147 Ų14735.4 Ų35.464%0.63918%0.181SC*.SBendtrans-139.4145178.3-68.1-176.3-177.7-178.80109.1E360 S364E360-K362 PolarHBondContact O-N 3.18Å; E360-K362 VanDerWaalsContact O-N 3.15Å; K362-S364 PolarHBondContact O-N 3.05Å
363N90.8Very high90.7Very high57 Ų5740.1 Ų40.131%0.30521%0.206SC..EExtended strand (participates in β ladder)trans-62.2123.5169-76.7-29.8000109.6S32 N34 Q355 T357S32-N363 PolarHBondContact O-ND2 3.36Å; N34-N363 WeakPolarHBondContact CB-OD1 3.26Å; N34-N363 PolarHBondContact N-OD1 3.33Å; Q355-N363 HydrophobicContact CB-CB 4.14Å; T357-N363 PolarHBondContact OG1-N 3.43Å; T357-N363 PolarHBondContact OG1-OD1 2.79Å
364S92.2Very high90.2Very high10 Ų1044.9 Ų44.97%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-126.9149.217663.40000110Q355 Y356 K362 C366Q355-S364 PolarHBondContact OE1-O 2.81Å; Y356-S364 PolarHBondContact N-O 2.92Å; Y356-S364 PolarHBondContact O-N 3.5Å; Y356-S364 PolarHBondContact O-OG 3.45Å; K362-S364 PolarHBondContact O-N 3.05Å; S364-C366 PolarHBondContact O-N 3.18Å
365P93.8Very high90.2Very high10 Ų1048.3 Ų48.37%0.06524%0.238CC..EExtended strand (participates in β ladder)trans-62.2129.8176.825.5-33.6000109.6L311 K381 V382 E383L311-P365 HydrophobicContact CD1-CB 3.75Å; L311-P365 HydrophobicContact CD2-CB 4.03Å; L311-P365 HydrophobicContact CG-CB 4Å; P365-K381 PolarHBondContact O-N 3.35Å; P365-V382 PolarHBondContact O-N 3.28Å; P365-E383 HydrophobicContact CG-CG 3.61Å
366C94.8Very high90.3Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-138.2154.3-174.276.90000112.8L25 A353 G354 Y356 S364 I378 Y379L25-C366 VanDerWaalsContact CD1-SG 3.56Å; A353-C366 WeakPolarHBondContact CA-O 3.38Å; G354-C366 PolarHBondContact N-O 2.99Å; G354-C366 PolarHBondContact O-N 2.92Å; G354-C366 PolarHBondContact O-SG 3.39Å; Y356-C366 WeakPolarHBondContact CB-SG 3.3Å; S364-C366 PolarHBondContact O-N 3.18Å; C366-I378 HydrophobicContact CB-CG2 4.21Å; C366-Y379 CarbonylContact C-O 3.33Å; C366-Y379 WeakPolarHBondContact CA-O 3.25Å; C366-Y379 VanDerWaalsContact CB-O 3.3Å; C366-Y379 WeakPolarHBondContact CB-O 2.96Å
367L96.4Very high90.4Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-118.3122171.2-58.6173.7000108.1F6 L311 V322 F342 F351 A353 Y369 Y379 V382F6-L367 HydrophobicContact CD2-CD1 4.35Å; F6-L367 HydrophobicContact CE2-CD1 4.05Å; L311-L367 HydrophobicContact CD2-CD2 3.99Å; V322-L367 HydrophobicContact CG1-CD2 3.99Å; F342-L367 HydrophobicContact CD1-CD1 4.49Å; F351-L367 HydrophobicContact CE2-CB 4.36Å; F351-L367 HydrophobicContact CE2-CD2 4.23Å; F351-L367 HydrophobicContact CZ-CD2 3.88Å; A353-L367 HydrophobicContact CB-CD2 3.7Å; L367-Y369 HydrophobicContact CB-CD2 4.41Å; L367-Y369 HydrophobicContact CB-CE2 3.58Å; L367-Y369 HydrophobicContact CD1-CE2 4.49Å; L367-Y379 PolarHBondContact N-O 3.3Å; L367-Y379 PolarHBondContact O-N 2.95Å; L367-V382 HydrophobicContact CB-CG2 4.41Å; L367-V382 HydrophobicContact CD1-CG1 3.71Å; L367-V382 HydrophobicContact CD1-CG2 4.16Å; L367-V382 HydrophobicContact CG-CB 4.34Å; L367-V382 HydrophobicContact CG-CG1 3.87Å; L367-V382 HydrophobicContact CG-CG2 3.91Å
368V96.6Very high90.5Very high0 Ų046.3 Ų46.30%023%0.228CC..EExtended strand (participates in β ladder)trans-110.5116.8-177.9-171.80000109.1I23 L25 L36 F351 C352 I376 Y377 I378I23-V368 HydrophobicContact CD1-CB 4.48Å; I23-V368 HydrophobicContact CD1-CG1 3.8Å; L25-V368 HydrophobicContact CD1-CG2 4.14Å; L25-V368 HydrophobicContact CD2-CG2 4.31Å; L36-V368 HydrophobicContact CD1-CG1 4.17Å; L36-V368 HydrophobicContact CD2-CG1 4.1Å; F351-V368 WeakPolarHBondContact CA-O 3.48Å; C352-V368 HydrophobicContact CB-CB 4.31Å; C352-V368 PolarHBondContact N-O 2.83Å; C352-V368 WeakPolarHBondContact O-CA 3.25Å; C352-V368 PolarHBondContact O-N 2.78Å; V368-I376 HydrophobicContact CG1-CG2 3.5Å; V368-I376 VanDerWaalsContact CG1-CG2 3.5Å; V368-Y377 WeakPolarHBondContact CA-O 3.47Å; V368-I378 HydrophobicContact CG1-CG1 4.17Å; V368-I378 HydrophobicContact CG2-CG1 4.21Å; V368-I378 HydrophobicContact CG2-CG2 4.45Å
369Y96.1Very high90.9Very high0 Ų046.6 Ų46.60%023%0.228CC..EExtended strand (participates in β ladder)trans-110.7122.4178.5-60.7-88.8000109.6T330 F342 F344 V348 F351 L367 I376 Y377 Y379T330-Y369 WeakPolarHBondContact CB-OH 3.24Å; T330-Y369 WeakPolarHBondContact OG1-CE1 3.31Å; T330-Y369 PolarHBondContact OG1-OH 3.06Å; F342-Y369 WeakPolarHBondContact CD1-OH 3.3Å; F342-Y369 HydrophobicContact CE1-CE2 4.03Å; F344-Y369 HydrophobicContact CB-CD1 4.19Å; F344-Y369 HydrophobicContact CB-CE1 4.07Å; F344-Y369 AromaticContact CD1-CD1 3.97Å; F344-Y369 HydrophobicContact CD1-CD1 3.97Å; F344-Y369 HydrophobicContact CD1-CG 4.12Å; F344-Y369 HydrophobicContact CD2-CD2 4.37Å; F344-Y369 HydrophobicContact CD2-CG 4.29Å; F344-Y369 HydrophobicContact CE1-CG 4.41Å; F344-Y369 HydrophobicContact CG-CD1 4.04Å; F344-Y369 HydrophobicContact CG-CD2 4.45Å; F344-Y369 HydrophobicContact CG-CE1 4.41Å; F344-Y369 HydrophobicContact CG-CG 4.06Å; V348-Y369 HydrophobicContact CG1-CD1 4.13Å; V348-Y369 HydrophobicContact CG2-CD1 3.81Å; V348-Y369 HydrophobicContact CG2-CE1 4.49Å; F351-Y369 AromaticContact CD2-CD1 3.74Å; F351-Y369 HydrophobicContact CD2-CD1 3.74Å; F351-Y369 AromaticContact CD2-CE1 3.55Å; F351-Y369 HydrophobicContact CD2-CE1 3.55Å; F351-Y369 HydrophobicContact CD2-CG 4.44Å; F351-Y369 HydrophobicContact CE2-CD1 4.16Å; F351-Y369 AromaticContact CE2-CE1 3.55Å; F351-Y369 HydrophobicContact CE2-CE1 3.55Å; F351-Y369 HydrophobicContact CE2-CE2 4.37Å; F351-Y369 AromaticContact CE2-CZ 3.67Å; L367-Y369 HydrophobicContact CB-CD2 4.41Å; L367-Y369 HydrophobicContact CB-CE2 3.58Å; L367-Y369 HydrophobicContact CD1-CE2 4.49Å; Y369-I376 CarbonylContact O-C 3.56Å; Y369-I376 WeakPolarHBondContact O-CA 3.24Å; Y369-Y377 PolarHBondContact N-O 2.89Å; Y369-Y377 PolarHBondContact O-N 2.96Å; Y369-Y379 AromaticContact CD2-CD2 3.66Å; Y369-Y379 HydrophobicContact CD2-CD2 3.66Å; Y369-Y379 AromaticContact CD2-CE2 3.89Å; Y369-Y379 HydrophobicContact CD2-CE2 3.89Å; Y369-Y379 AromaticContact CE2-CD2 3.66Å; Y369-Y379 HydrophobicContact CE2-CD2 3.66Å; Y369-Y379 HydrophobicContact CE2-CE2 4.06Å
370V94.9Very high91.5Very high1 Ų141.3 Ų41.31%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-97.2116.3168.9-172.70000108.2M18 I23 N349 A350 I376M18-V370 HydrophobicContact CG-CG1 4.32Å; M18-V370 HydrophobicContact SD-CB 4.21Å; M18-V370 HydrophobicContact SD-CG1 3.67Å; M18-V370 HydrophobicContact SD-CG2 3.85Å; I23-V370 HydrophobicContact CD1-CG2 3.61Å; N349-V370 PolarHBondContact N-O 3.24Å; A350-V370 HydrophobicContact CB-CB 3.98Å; A350-V370 HydrophobicContact CB-CG2 3.95Å; A350-V370 PolarHBondContact N-O 2.85Å; A350-V370 PolarHBondContact O-N 3.35Å; V370-I376 HydrophobicContact CG1-CG1 4.35Å; V370-I376 HydrophobicContact CG2-CG1 4.2Å; V370-I376 HydrophobicContact CG2-CG2 4.47Å
371S92.9Very high92Very high4 Ų438.8 Ų38.83%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-84.9152.7177.8172.50000111.8E346 N373 Q374 K375E346-S371 WeakPolarHBondContact OE2-CB 3.16Å; E346-S371 PolarHBondContact OE2-OG 2.85Å; S371-N373 PolarHBondContact O-N 3.47Å; S371-N373 WeakPolarHBondContact OG-CB 3.03Å; S371-N373 PolarHBondContact OG-N 2.82Å; S371-Q374 PolarHBondContact O-N 3.32Å; S371-K375 PolarHBondContact N-O 2.81Å
372F89Confident92.4Very high128 Ų12836.7 Ų36.756%0.56117%0.171SC*.THydrogen-bonded Turntrans-61.6-15.7166.6-73.3-79.8000113.5N347 N349 Q374N347-F372 HydrophobicContact CB-CD2 3.81Å; N347-F372 HydrophobicContact CB-CE2 4.19Å; N349-F372 HydrophobicContact CB-CD1 4.11Å; N349-F372 HydrophobicContact CB-CD2 4.16Å; N349-F372 HydrophobicContact CB-CE1 3.89Å; N349-F372 HydrophobicContact CB-CE2 3.95Å; N349-F372 HydrophobicContact CB-CG 4.24Å; N349-F372 HydrophobicContact CB-CZ 3.81Å; F372-Q374 PolarHBondContact O-N 2.81Å
373N87.8Confident92.4Very high109 Ų10935.3 Ų35.358%0.58317%0.167SC*.THydrogen-bonded Turntrans-81.717.9175.4-65.1-34.7000113.7E346 S371 K375E346-N373 PolarHBondContact OE2-ND2 2.74Å; S371-N373 PolarHBondContact O-N 3.47Å; S371-N373 WeakPolarHBondContact OG-CB 3.03Å; S371-N373 PolarHBondContact OG-N 2.82Å; N373-K375 PolarHBondContact O-N 2.65Å
374Q86.1Confident92.2Very high108 Ų10833.5 Ų33.551%0.50516%0.157SC..THydrogen-bonded Turntrans60.145.7176.3-59.1176.685.200111.6F14 S371 F372F14-Q374 CarbonylContact O-C 3.55Å; F14-Q374 WeakPolarHBondContact O-CA 3.47Å; F14-Q374 VanDerWaalsContact O-CB 3.26Å; F14-Q374 WeakPolarHBondContact O-CB 3.29Å; S371-Q374 PolarHBondContact O-N 3.32Å; F372-Q374 PolarHBondContact O-N 2.81Å
375K92.5Very high91.8Very high85 Ų8542.4 Ų42.437%0.3720%0.197SC..EExtended strand (participates in β ladder)trans-139.7145.3175.3-73.6-168.7175.8-174.90110.1S371 N373 Y377S371-K375 PolarHBondContact N-O 2.81Å; N373-K375 PolarHBondContact O-N 2.65Å; K375-Y377 HydrophobicContact CB-CD2 4.47Å; K375-Y377 HydrophobicContact CB-CE2 3.93Å
376I95Very high91.1Very high0 Ų046.6 Ų46.60%021%0.212CC..EExtended strand (participates in β ladder)trans-108.8127.6172.5-53.9172.6000107.7S11 L12 F14 L36 V38 Y48 V368 Y369 V370 I378S11-I376 CarbonylContact C-O 3.51Å; S11-I376 WeakPolarHBondContact CA-O 3.41Å; L12-I376 HydrophobicContact CB-CB 4.15Å; L12-I376 HydrophobicContact CD1-CB 4.42Å; L12-I376 HydrophobicContact CD1-CG2 4.32Å; L12-I376 PolarHBondContact N-O 2.91Å; L12-I376 PolarHBondContact O-N 3.07Å; F14-I376 HydrophobicContact CB-CD1 3.79Å; F14-I376 HydrophobicContact CB-CG1 3.75Å; F14-I376 HydrophobicContact CD2-CD1 4.3Å; F14-I376 HydrophobicContact CG-CD1 4.07Å; F14-I376 HydrophobicContact CG-CG1 4.21Å; L36-I376 HydrophobicContact CD2-CD1 4.38Å; L36-I376 HydrophobicContact CD2-CG2 3.98Å; V38-I376 HydrophobicContact CG1-CD1 4.5Å; V38-I376 HydrophobicContact CG2-CD1 3.8Å; Y48-I376 HydrophobicContact CE2-CD1 4.09Å; V368-I376 HydrophobicContact CG1-CG2 3.5Å; V368-I376 VanDerWaalsContact CG1-CG2 3.5Å; Y369-I376 CarbonylContact O-C 3.56Å; Y369-I376 WeakPolarHBondContact O-CA 3.24Å; V370-I376 HydrophobicContact CG1-CG1 4.35Å; V370-I376 HydrophobicContact CG2-CG1 4.2Å; V370-I376 HydrophobicContact CG2-CG2 4.47Å; I376-I378 HydrophobicContact CG2-CG1 4.38Å
377Y95.2Very high90.7Very high25 Ų2547 Ų4710%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-109.9121.4175-64.1-85.9000109.3V10 F344 E346 V368 Y369 K375V10-Y377 WeakPolarHBondContact O-CA 3.44Å; F344-Y377 AromaticContact CE2-CD2 3.74Å; F344-Y377 HydrophobicContact CE2-CD2 3.74Å; F344-Y377 HydrophobicContact CE2-CE2 4.25Å; F344-Y377 AromaticContact CE2-CG 3.91Å; F344-Y377 HydrophobicContact CE2-CG 3.91Å; F344-Y377 AromaticContact CZ-CD2 3.4Å; F344-Y377 HydrophobicContact CZ-CD2 3.4Å; F344-Y377 VanDerWaalsContact CZ-CD2 3.4Å; F344-Y377 AromaticContact CZ-CE2 3.78Å; F344-Y377 HydrophobicContact CZ-CE2 3.78Å; F344-Y377 HydrophobicContact CZ-CG 4.06Å; E346-Y377 PolarHBondContact OE1-OH 2.72Å; V368-Y377 WeakPolarHBondContact CA-O 3.47Å; Y369-Y377 PolarHBondContact N-O 2.89Å; Y369-Y377 PolarHBondContact O-N 2.96Å; K375-Y377 HydrophobicContact CB-CD2 4.47Å; K375-Y377 HydrophobicContact CB-CE2 3.93Å
378I95Very high89.9Confident1 Ų151 Ų511%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-105.7111.3174.3-57.3179.5000107.2R9 V10 L12 L36 Y356 C366 V368 I376 W380R9-I378 CarbonylContact C-O 3.57Å; R9-I378 VanDerWaalsContact CA-O 3.26Å; R9-I378 WeakPolarHBondContact CA-O 3.38Å; V10-I378 PolarHBondContact N-O 3.3Å; V10-I378 PolarHBondContact O-N 3.43Å; L12-I378 HydrophobicContact CD1-CD1 3.48Å; L12-I378 VanDerWaalsContact CD1-CD1 3.48Å; L12-I378 HydrophobicContact CD1-CG1 4.16Å; L12-I378 HydrophobicContact CG-CD1 4.15Å; L36-I378 HydrophobicContact CD2-CD1 3.98Å; Y356-I378 HydrophobicContact CD1-CD1 4.13Å; Y356-I378 HydrophobicContact CD1-CG2 3.98Å; Y356-I378 HydrophobicContact CE1-CD1 3.64Å; Y356-I378 HydrophobicContact CE1-CG2 4.33Å; Y356-I378 HydrophobicContact CE2-CD1 4.4Å; C366-I378 HydrophobicContact CB-CG2 4.21Å; V368-I378 HydrophobicContact CG1-CG1 4.17Å; V368-I378 HydrophobicContact CG2-CG1 4.21Å; V368-I378 HydrophobicContact CG2-CG2 4.45Å; I376-I378 HydrophobicContact CG2-CG1 4.38Å; I378-W380 HydrophobicContact CG2-CB 4.46Å
379Y94.4Very high88.8Confident8 Ų855.6 Ų55.63%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-85.1113.1163.2-69.3-97.6000107.2F6 H8 R9 F342 F344 C366 L367 Y369 V382F6-Y379 HydrophobicContact CB-CD1 3.67Å; F6-Y379 HydrophobicContact CB-CE1 4.36Å; F6-Y379 HydrophobicContact CB-CG 4.45Å; H8-Y379 VanDerWaalsContact O-CA 3.32Å; H8-Y379 WeakPolarHBondContact O-CA 3.31Å; R9-Y379 HydrophobicContact CB-CD1 3.96Å; R9-Y379 HydrophobicContact CB-CE1 3.93Å; R9-Y379 HydrophobicContact CB-CG 4.38Å; F342-Y379 HydrophobicContact CE1-CD2 4.43Å; F342-Y379 HydrophobicContact CE1-CE1 4.41Å; F342-Y379 HydrophobicContact CE1-CE2 4.29Å; F342-Y379 HydrophobicContact CE2-CE1 4.43Å; F342-Y379 HydrophobicContact CZ-CD1 4.01Å; F342-Y379 AromaticContact CZ-CE1 3.61Å; F342-Y379 HydrophobicContact CZ-CE1 3.61Å; F342-Y379 HydrophobicContact CZ-CE2 4.2Å; F342-Y379 HydrophobicContact CZ-CG 4.43Å; F342-Y379 AromaticContact CZ-CZ 3.72Å; F344-Y379 AromaticContact CD2-CE2 3.79Å; F344-Y379 HydrophobicContact CD2-CE2 3.79Å; F344-Y379 HydrophobicContact CE2-CE2 4.12Å; C366-Y379 CarbonylContact C-O 3.33Å; C366-Y379 WeakPolarHBondContact CA-O 3.25Å; C366-Y379 VanDerWaalsContact CB-O 3.3Å; C366-Y379 WeakPolarHBondContact CB-O 2.96Å; L367-Y379 PolarHBondContact N-O 3.3Å; L367-Y379 PolarHBondContact O-N 2.95Å; Y369-Y379 AromaticContact CD2-CD2 3.66Å; Y369-Y379 HydrophobicContact CD2-CD2 3.66Å; Y369-Y379 AromaticContact CD2-CE2 3.89Å; Y369-Y379 HydrophobicContact CD2-CE2 3.89Å; Y369-Y379 AromaticContact CE2-CD2 3.66Å; Y369-Y379 HydrophobicContact CE2-CD2 3.66Å; Y369-Y379 HydrophobicContact CE2-CE2 4.06Å; Y379-V382 VanDerWaalsContact O-CG2 3.31Å; Y379-V382 WeakPolarHBondContact O-CG2 3.41Å
380W90.1Very high87.5Confident23 Ų2358 Ų589%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-105.2157.2-178.960.9-75.8000109.4H8 C358 K359 E360 I378H8-W380 HydrophobicContact CB-CD2 4.05Å; H8-W380 HydrophobicContact CB-CG 4.26Å; H8-W380 HydrophobicContact CB-CZ2 4.04Å; H8-W380 WeakPolarHBondContact CB-O 3.2Å; H8-W380 AromaticContact ND1-CZ2 3.79Å; H8-W380 PolarHBondContact O-N 2.94Å; C358-W380 HydrophobicContact CB-CB 4.17Å; C358-W380 HydrophobicContact CB-CD2 4.22Å; C358-W380 HydrophobicContact CB-CE3 4.28Å; C358-W380 HydrophobicContact CB-CG 4.16Å; K359-W380 HydrophobicContact CB-CH2 4.48Å; K359-W380 HydrophobicContact CD-CZ2 4.31Å; E360-W380 HydrophobicContact CG-CZ3 4.18Å; I378-W380 HydrophobicContact CG2-CB 4.46Å
381K87.4Confident86.6Confident55 Ų5561.9 Ų61.924%0.23930%0.3CS..  trans55.753.1-170.3-67.2174.2166.3-178.40112.9E360 P365 E383E360-K381 VanDerWaalsContact OE1-CE 3.25Å; E360-K381 WeakPolarHBondContact OE1-CE 3.33Å; E360-K381 IonicContact OE1-NZ 2.65Å; E360-K381 PolarHBondContact OE1-NZ 3.44Å; E360-K381 WeakPolarHBondContact OE2-CE 3.42Å; E360-K381 IonicContact OE2-NZ 3.6Å; E360-K381 PolarHBondContact OE2-NZ 3.12Å; P365-K381 PolarHBondContact O-N 3.35Å; K381-E383 PolarHBondContact O-N 3.41Å
382V89.7Confident85.9Confident0 Ų065.7 Ų65.70%032%0.32CS..  trans-80.574.4173.5179.80000107.1F6 L311 V313 P365 L367 Y379F6-V382 HydrophobicContact CD1-CG1 4.35Å; F6-V382 HydrophobicContact CD1-CG2 4.44Å; F6-V382 HydrophobicContact CD2-CG1 4.35Å; F6-V382 HydrophobicContact CE1-CB 4.26Å; F6-V382 HydrophobicContact CE1-CG1 3.72Å; F6-V382 HydrophobicContact CE2-CG1 3.72Å; F6-V382 HydrophobicContact CG-CG2 4.44Å; F6-V382 HydrophobicContact CZ-CB 4.37Å; F6-V382 HydrophobicContact CZ-CG1 3.37Å; L311-V382 HydrophobicContact CD2-CG1 4.48Å; V313-V382 HydrophobicContact CG1-CG1 4.12Å; P365-V382 PolarHBondContact O-N 3.28Å; L367-V382 HydrophobicContact CB-CG2 4.41Å; L367-V382 HydrophobicContact CD1-CG1 3.71Å; L367-V382 HydrophobicContact CD1-CG2 4.16Å; L367-V382 HydrophobicContact CG-CB 4.34Å; L367-V382 HydrophobicContact CG-CG1 3.87Å; L367-V382 HydrophobicContact CG-CG2 3.91Å; Y379-V382 VanDerWaalsContact O-CG2 3.31Å; Y379-V382 WeakPolarHBondContact O-CG2 3.41Å
383E89.4Confident85.4Confident118 Ų11861 Ų6155%0.55130%0.301SS*.  trans-118.6142-176.4-67.4175.3-167.700110.5V313 P365 K381V313-E383 CarbonylContact O-C 3.56Å; V313-E383 VanDerWaalsContact O-CA 3.26Å; V313-E383 WeakPolarHBondContact O-CA 3.46Å; P365-E383 HydrophobicContact CG-CG 3.61Å; K381-E383 PolarHBondContact O-N 3.41Å
384L87Confident84.9Confident19 Ų1962.5 Ų62.510%0.09930%0.298CS..  trans-132.6125.8179.7-61.9173.7000108.9L4 F6 V313 T314 V340 R386 M387L4-L384 HydrophobicContact CD1-CD1 3.63Å; L4-L384 HydrophobicContact CD1-CD2 3.42Å; L4-L384 VanDerWaalsContact CD1-CD2 3.42Å; L4-L384 HydrophobicContact CD1-CG 4.09Å; L4-L384 HydrophobicContact CD2-CD2 3.8Å; L4-L384 HydrophobicContact CG-CD2 4.25Å; F6-L384 HydrophobicContact CE1-CD2 4.22Å; F6-L384 HydrophobicContact CZ-CD2 4.43Å; V313-L384 HydrophobicContact CB-CD1 4.46Å; V313-L384 HydrophobicContact CG2-CD1 3.96Å; V313-L384 PolarHBondContact O-N 2.73Å; T314-L384 WeakPolarHBondContact CA-O 3.4Å; V340-L384 HydrophobicContact CG1-CD1 4.45Å; L384-R386 PolarHBondContact O-N 2.84Å; L384-M387 HydrophobicContact CD1-SD 3.64Å
385E82.9Confident84.7Confident196 Ų19659.5 Ų59.592%0.91629%0.287SS*.SBendtrans-58.3-38176.3-63.8-178.4172.600112
386R80.9Confident84.1Confident98 Ų9857.2 Ų57.237%0.3728%0.279SS..  trans-152140.6178.2-62.6-173.4-178.3-166.9-3.8110.9R2 L384 E398R2-R386 VanDerWaalsContact CZ-O 3.28Å; R2-R386 PolarHBondContact NH1-O 2.86Å; R2-R386 PolarHBondContact NH2-O 3.32Å; L384-R386 PolarHBondContact O-N 2.84Å; R386-E398 IonicContact CZ-OE2 3.25Å; R386-E398 IonicContact NH1-OE1 2.78Å; R386-E398 PolarHBondContact NH1-OE1 2.97Å; R386-E398 IonicContact NH1-OE2 3.36Å; R386-E398 PolarHBondContact NH1-OE2 3.43Å; R386-E398 IonicContact NH2-OE2 2.6Å; R386-E398 PolarHBondContact NH2-OE2 2.96Å
387M84.8Confident83.4Confident9 Ų962.4 Ų62.44%0.04430%0.303CS..SBendtrans-73.5-45.3168.8-74.9-67.5-79.200111.5V313 T314 E320 I332 D334 T338 V340 L384V313-M387 HydrophobicContact CG2-SD 4.03Å; T314-M387 HydrophobicContact CG2-CG 3.72Å; E320-M387 HydrophobicContact CG-CE 4.05Å; E320-M387 HydrophobicContact CG-CG 4.33Å; E320-M387 HydrophobicContact CG-SD 4.4Å; I332-M387 HydrophobicContact CB-CE 4.22Å; I332-M387 HydrophobicContact CG2-CE 3.72Å; I332-M387 HydrophobicContact CG2-SD 4.2Å; I332-M387 WeakPolarHBondContact O-CE 3.35Å; D334-M387 HydrophobicContact CB-CB 4.27Å; D334-M387 HydrophobicContact CB-CE 4.12Å; D334-M387 HydrophobicContact CB-CG 4.16Å; T338-M387 HydrophobicContact CG2-CB 4.4Å; T338-M387 WeakPolarHBondContact CG2-O 3.45Å; V340-M387 HydrophobicContact CB-CE 4.11Å; V340-M387 HydrophobicContact CB-SD 4.26Å; V340-M387 HydrophobicContact CG2-CE 3.67Å; V340-M387 HydrophobicContact CG2-SD 3.63Å; L384-M387 HydrophobicContact CD1-SD 3.64Å
388E80.7Confident82.6Confident83 Ų8366.7 Ų66.739%0.38832%0.324SS..SBendtrans-67.4136.8-179.2-65.9-176.1-170.400112.4N336 T338 T390N336-E388 PolarHBondContact ND2-OE1 2.87Å; N336-E388 VanDerWaalsContact ND2-OE1 3.08Å; T338-E388 HydrophobicContact CG2-CG 4.38Å; E388-T390 PolarHBondContact O-N 2.93Å
389S72.8Confident82.1Confident97 Ų9772.4 Ų72.468%0.67835%0.349SS*.  trans-75.5104.6167.656.70000109
390T69.8Low81.3Confident51 Ų5177.8 Ų77.831%0.31338%0.384SS..  trans-92.2150.8171.848.90000111.2E388E388-T390 PolarHBondContact O-N 2.93Å
391N74.4Confident81.1Confident82 Ų8282.6 Ų82.644%0.43941%0.408SS..  trans-91.3159.5164.962.37.2000109.2L393 R394 V395N391-L393 PolarHBondContact O-N 2.8Å; N391-R394 PolarHBondContact O-N 2.85Å; N391-R394 WeakPolarHBondContact OD1-CB 3.41Å; N391-R394 WeakPolarHBondContact OD1-CG 3.12Å; N391-R394 PolarHBondContact OD1-N 2.82Å; N391-V395 PolarHBondContact O-N 3.01Å
392L79.3Confident81Confident84 Ų8480.9 Ų80.944%0.4440%0.401SS..Hα-helixtrans-54.5-37.4179.7178.864.9000112.1V395 L396 V423 L427L392-V395 PolarHBondContact O-N 2.84Å; L392-L396 HydrophobicContact CD1-CD1 4.22Å; L392-L396 HydrophobicContact CD1-CG 4.18Å; L392-L396 HydrophobicContact CD2-CD1 4.3Å; L392-L396 HydrophobicContact CG-CD1 3.8Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.46Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.43Å; L392-L396 PolarHBondContact O-N 2.95Å; L392-V423 HydrophobicContact CD2-CG1 3.79Å; L392-L427 HydrophobicContact CD2-CD1 3.47Å; L392-L427 VanDerWaalsContact CD2-CD1 3.47Å; L392-L427 HydrophobicContact CD2-CG 4.5Å
393L78.3Confident80.6Confident30 Ų3086.3 Ų86.316%0.15742%0.424CS..Hα-helixtrans-60.9-47.1179.9-67.7169.7000112.6N391 V395 L396 E397 V419 R420 V423N391-L393 PolarHBondContact O-N 2.8Å; L393-V395 VanDerWaalsContact C-N 3.3Å; L393-V395 PolarHBondContact O-N 2.86Å; L393-L396 PolarHBondContact O-N 3.33Å; L393-L396 VanDerWaalsContact O-N 3.14Å; L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 VanDerWaalsContact O-CG 3.31Å; L393-E397 WeakPolarHBondContact O-CG 3.18Å; L393-E397 PolarHBondContact O-N 3.34Å; L393-V419 HydrophobicContact CD2-CG1 3.68Å; L393-R420 HydrophobicContact CD1-CG 3.52Å; L393-V423 HydrophobicContact CD2-CG2 3.93Å
394R77.2Confident80.2Confident140 Ų14084.1 Ų84.153%0.52842%0.422SS..Hα-helixtrans-61.2-40.3175.8-80.9-179.9175.5-178.6-1.2112N391 L396 E397 E398N391-R394 PolarHBondContact O-N 2.85Å; N391-R394 WeakPolarHBondContact OD1-CB 3.41Å; N391-R394 WeakPolarHBondContact OD1-CG 3.12Å; N391-R394 PolarHBondContact OD1-N 2.82Å; R394-L396 VanDerWaalsContact C-N 3.29Å; R394-L396 PolarHBondContact O-N 2.98Å; R394-E397 PolarHBondContact O-N 3.42Å; R394-E398 WeakPolarHBondContact O-CG 3.22Å; R394-E398 PolarHBondContact O-N 2.87Å; R394-E398 VanDerWaalsContact O-N 3.15Å
395V81.1Confident80.1Confident45 Ų4588.2 Ų88.227%0.27344%0.441SS..Hα-helixtrans-64.7-36.7176.7179.30000111.2N391 L392 L393N391-V395 PolarHBondContact O-N 3.01Å; L392-V395 PolarHBondContact O-N 2.84Å; L393-V395 VanDerWaalsContact C-N 3.3Å; L393-V395 PolarHBondContact O-N 2.86Å
396L81.1Confident80.2Confident37 Ų3779 Ų7919%0.19440%0.398CS..Hα-helixtrans-72.3-40.2176.2-71.4172.4000111.8L392 L393 R394 E398 K399 F402 V423L392-L396 HydrophobicContact CD1-CD1 4.22Å; L392-L396 HydrophobicContact CD1-CG 4.18Å; L392-L396 HydrophobicContact CD2-CD1 4.3Å; L392-L396 HydrophobicContact CG-CD1 3.8Å; L392-L396 HydrophobicContact CG-CG 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.46Å; L392-L396 VanDerWaalsContact O-CG 3.28Å; L392-L396 WeakPolarHBondContact O-CG 3.43Å; L392-L396 PolarHBondContact O-N 2.95Å; L393-L396 PolarHBondContact O-N 3.33Å; L393-L396 VanDerWaalsContact O-N 3.14Å; R394-L396 VanDerWaalsContact C-N 3.29Å; R394-L396 PolarHBondContact O-N 2.98Å; L396-E398 VanDerWaalsContact C-N 3.25Å; L396-E398 PolarHBondContact O-N 3.46Å; L396-K399 WeakPolarHBondContact O-CB 3.4Å; L396-K399 PolarHBondContact O-N 2.72Å; L396-F402 VanDerWaalsContact C-CD1 3.46Å; L396-F402 HydrophobicContact CB-CD1 3.86Å; L396-F402 HydrophobicContact CB-CD2 3.75Å; L396-F402 HydrophobicContact CB-CE1 3.78Å; L396-F402 HydrophobicContact CB-CE2 3.7Å; L396-F402 HydrophobicContact CB-CG 3.82Å; L396-F402 HydrophobicContact CB-CZ 3.7Å; L396-F402 HydrophobicContact CD1-CD2 4.38Å; L396-F402 HydrophobicContact CD1-CE2 3.75Å; L396-F402 HydrophobicContact CD1-CZ 4.02Å; L396-F402 HydrophobicContact CD2-CD2 4.22Å; L396-F402 HydrophobicContact CD2-CE2 4.39Å; L396-F402 HydrophobicContact CG-CD2 4.34Å; L396-F402 HydrophobicContact CG-CE2 4.16Å; L396-F402 HydrophobicContact CG-CZ 4.46Å; L396-F402 WeakPolarHBondContact O-CB 3.34Å; L396-F402 WeakPolarHBondContact O-CD1 3.24Å; L396-F402 VanDerWaalsContact O-CG 3.3Å; L396-F402 WeakPolarHBondContact O-CG 3.4Å; L396-V423 HydrophobicContact CD1-CG2 4.26Å
397E80.4Confident80.3Confident110 Ų11082 Ų8251%0.51441%0.413SS..Hα-helixtrans-60.2-32.8176-76168.1-170.700113.1L393 R394 K399 F402L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 VanDerWaalsContact O-CG 3.31Å; L393-E397 WeakPolarHBondContact O-CG 3.18Å; L393-E397 PolarHBondContact O-N 3.34Å; R394-E397 PolarHBondContact O-N 3.42Å; E397-K399 PolarHBondContact O-N 3.3Å; E397-F402 HydrophobicContact CG-CD1 4.46Å; E397-F402 HydrophobicContact CG-CE1 4.25Å
398E77.9Confident80.3Confident115 Ų11585.8 Ų85.854%0.53745%0.446SS..THydrogen-bonded Turntrans-66.2-21.4173.5-75171.7-169.100112.8R386 R394 L396R386-E398 IonicContact CZ-OE2 3.25Å; R386-E398 IonicContact NH1-OE1 2.78Å; R386-E398 PolarHBondContact NH1-OE1 2.97Å; R386-E398 IonicContact NH1-OE2 3.36Å; R386-E398 PolarHBondContact NH1-OE2 3.43Å; R386-E398 IonicContact NH2-OE2 2.6Å; R386-E398 PolarHBondContact NH2-OE2 2.96Å; R394-E398 WeakPolarHBondContact O-CG 3.22Å; R394-E398 PolarHBondContact O-N 2.87Å; R394-E398 VanDerWaalsContact O-N 3.15Å; L396-E398 VanDerWaalsContact C-N 3.25Å; L396-E398 PolarHBondContact O-N 3.46Å
399K84.1Confident80.5Confident121 Ų12187.4 Ų87.453%0.52646%0.457SS..SBendtrans-83.6123.3178.9-66.5-172.3177.8-175.50110.6L396 E397 E401 F402L396-K399 WeakPolarHBondContact O-CB 3.4Å; L396-K399 PolarHBondContact O-N 2.72Å; E397-K399 PolarHBondContact O-N 3.3Å; K399-E401 PolarHBondContact O-N 2.85Å; K399-E401 VanDerWaalsContact O-N 3.14Å; K399-F402 HydrophobicContact CB-CB 4.32Å; K399-F402 WeakPolarHBondContact O-CB 3.33Å; K399-F402 PolarHBondContact O-N 3.09Å
400P79Confident81Confident120 Ų12086.1 Ų86.178%0.77946%0.459SS*.Hα-helixtrans-62.1-29-177.824.1-33.1000112.7F402P400-F402 VanDerWaalsContact C-N 3.33Å; P400-F402 PolarHBondContact O-N 2.97Å
401E85.6Confident81.7Confident124 Ų12484.9 Ų84.958%0.57945%0.451SS*.Hα-helixtrans-71.6-25.9178.5-63.8177.9-17500113.1K399 K403 S404 Q405K399-E401 PolarHBondContact O-N 2.85Å; K399-E401 VanDerWaalsContact O-N 3.14Å; E401-K403 PolarHBondContact O-N 3.49Å; E401-S404 WeakPolarHBondContact O-CB 3.46Å; E401-S404 PolarHBondContact O-N 3.43Å; E401-S404 PolarHBondContact O-OG 2.82Å; E401-Q405 WeakPolarHBondContact O-CG 3.39Å; E401-Q405 PolarHBondContact O-N 2.76Å
402F84Confident81.9Confident20 Ų2085.8 Ų85.89%0.08846%0.456CS..Hα-helixtrans-62-45.2-173.5-179.2-120.3000112L396 E397 K399 P400 S404 Q405 L406 V419L396-F402 VanDerWaalsContact C-CD1 3.46Å; L396-F402 HydrophobicContact CB-CD1 3.86Å; L396-F402 HydrophobicContact CB-CD2 3.75Å; L396-F402 HydrophobicContact CB-CE1 3.78Å; L396-F402 HydrophobicContact CB-CE2 3.7Å; L396-F402 HydrophobicContact CB-CG 3.82Å; L396-F402 HydrophobicContact CB-CZ 3.7Å; L396-F402 HydrophobicContact CD1-CD2 4.38Å; L396-F402 HydrophobicContact CD1-CE2 3.75Å; L396-F402 HydrophobicContact CD1-CZ 4.02Å; L396-F402 HydrophobicContact CD2-CD2 4.22Å; L396-F402 HydrophobicContact CD2-CE2 4.39Å; L396-F402 HydrophobicContact CG-CD2 4.34Å; L396-F402 HydrophobicContact CG-CE2 4.16Å; L396-F402 HydrophobicContact CG-CZ 4.46Å; L396-F402 WeakPolarHBondContact O-CB 3.34Å; L396-F402 WeakPolarHBondContact O-CD1 3.24Å; L396-F402 VanDerWaalsContact O-CG 3.3Å; L396-F402 WeakPolarHBondContact O-CG 3.4Å; E397-F402 HydrophobicContact CG-CD1 4.46Å; E397-F402 HydrophobicContact CG-CE1 4.25Å; K399-F402 HydrophobicContact CB-CB 4.32Å; K399-F402 WeakPolarHBondContact O-CB 3.33Å; K399-F402 PolarHBondContact O-N 3.09Å; P400-F402 VanDerWaalsContact C-N 3.33Å; P400-F402 PolarHBondContact O-N 2.97Å; F402-S404 VanDerWaalsContact C-N 3.25Å; F402-S404 PolarHBondContact O-N 3.3Å; F402-Q405 PolarHBondContact O-N 3.02Å; F402-L406 HydrophobicContact CD1-CD1 3.88Å; F402-L406 HydrophobicContact CD2-CD1 4.49Å; F402-L406 HydrophobicContact CD2-CG 4.36Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.32Å; F402-L406 HydrophobicContact CE2-CD1 4.16Å; F402-L406 HydrophobicContact CE2-CD2 4.21Å; F402-L406 HydrophobicContact CE2-CG 4.08Å; F402-L406 HydrophobicContact CG-CD1 4.37Å; F402-L406 HydrophobicContact CZ-CD1 3.67Å; F402-L406 HydrophobicContact CZ-CD2 4.18Å; F402-L406 HydrophobicContact CZ-CG 4.07Å; F402-L406 WeakPolarHBondContact O-CG 3.33Å; F402-L406 PolarHBondContact O-N 2.92Å; F402-V419 HydrophobicContact CE1-CG1 4.32Å; F402-V419 HydrophobicContact CZ-CG1 3.8Å
403K81.2Confident81.7Confident113 Ų11383.2 Ų83.249%0.49145%0.447SS..Hα-helixtrans-62.7-33175.7-65.8-168.8179.8-166.40112.4E401 K407E401-K403 PolarHBondContact O-N 3.49Å; K403-K407 WeakPolarHBondContact O-CG 3.05Å; K403-K407 PolarHBondContact O-N 3.48Å
404S82.7Confident81.7Confident73 Ų7389 Ų8951%0.5147%0.473SS..Hα-helixtrans-72.9-38.6177.275.30000112.2E401 F402 K407 A408E401-S404 WeakPolarHBondContact O-CB 3.46Å; E401-S404 PolarHBondContact O-N 3.43Å; E401-S404 PolarHBondContact O-OG 2.82Å; F402-S404 VanDerWaalsContact C-N 3.25Å; F402-S404 PolarHBondContact O-N 3.3Å; S404-K407 PolarHBondContact O-N 3.05Å; S404-A408 PolarHBondContact O-N 2.95Å; S404-A408 VanDerWaalsContact O-N 3.09Å
405Q84.4Confident82Confident104 Ų10485.7 Ų85.749%0.48647%0.466SS..Hα-helixtrans-72.9-38.1178.9-71.4178-5.300112.2E401 F402 K407 A408 L409E401-Q405 WeakPolarHBondContact O-CG 3.39Å; E401-Q405 PolarHBondContact O-N 2.76Å; F402-Q405 PolarHBondContact O-N 3.02Å; Q405-K407 VanDerWaalsContact C-N 3.32Å; Q405-K407 PolarHBondContact O-N 2.91Å; Q405-A408 WeakPolarHBondContact O-CB 3.38Å; Q405-A408 PolarHBondContact O-N 2.99Å; Q405-A408 VanDerWaalsContact O-N 3.16Å; Q405-L409 WeakPolarHBondContact O-CG 3.43Å; Q405-L409 PolarHBondContact O-N 2.85Å
406L85.1Confident81.9Confident4 Ų487.3 Ų87.32%0.02148%0.477CS..Hα-helixtrans-57.5-45.8172.4-76.2174.5000111.5F402 A408 L409 G410 V411 A413 V419 L422F402-L406 HydrophobicContact CD1-CD1 3.88Å; F402-L406 HydrophobicContact CD2-CD1 4.49Å; F402-L406 HydrophobicContact CD2-CG 4.36Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.32Å; F402-L406 HydrophobicContact CE2-CD1 4.16Å; F402-L406 HydrophobicContact CE2-CD2 4.21Å; F402-L406 HydrophobicContact CE2-CG 4.08Å; F402-L406 HydrophobicContact CG-CD1 4.37Å; F402-L406 HydrophobicContact CZ-CD1 3.67Å; F402-L406 HydrophobicContact CZ-CD2 4.18Å; F402-L406 HydrophobicContact CZ-CG 4.07Å; F402-L406 WeakPolarHBondContact O-CG 3.33Å; F402-L406 PolarHBondContact O-N 2.92Å; L406-A408 VanDerWaalsContact C-N 3.35Å; L406-A408 PolarHBondContact O-N 3.43Å; L406-L409 CarbonylContact O-C 3.54Å; L406-L409 PolarHBondContact O-N 2.86Å; L406-G410 PolarHBondContact O-N 3.35Å; L406-G410 VanDerWaalsContact O-N 3.17Å; L406-V411 CarbonylContact C-O 3.54Å; L406-V411 HydrophobicContact CD2-CB 4.22Å; L406-V411 HydrophobicContact CD2-CG1 4.16Å; L406-V411 PolarHBondContact O-N 3Å; L406-V411 VanDerWaalsContact O-O 3.12Å; L406-A413 HydrophobicContact CD1-CB 3.98Å; L406-V419 HydrophobicContact CD1-CG1 4.38Å; L406-V419 HydrophobicContact CD1-CG2 3.96Å; L406-V419 HydrophobicContact CD2-CG1 4.29Å; L406-V419 HydrophobicContact CD2-CG2 4.1Å; L406-L422 HydrophobicContact CD2-CD2 3.66Å
407K82.8Confident82Confident159 Ų15988 Ų8869%0.69149%0.488SS*.Hα-helixtrans-61.8-40.3174.7-75-177.3179.6-176.70112.7K403 S404 Q405 L409 G410K403-K407 WeakPolarHBondContact O-CG 3.05Å; K403-K407 PolarHBondContact O-N 3.48Å; S404-K407 PolarHBondContact O-N 3.05Å; Q405-K407 VanDerWaalsContact C-N 3.32Å; Q405-K407 PolarHBondContact O-N 2.91Å; K407-L409 VanDerWaalsContact C-N 3.26Å; K407-L409 PolarHBondContact O-N 2.81Å; K407-G410 PolarHBondContact O-N 3.23Å; K407-G410 VanDerWaalsContact O-N 3.13Å
408A85.3Confident82.1Confident89 Ų8984.1 Ų84.174%0.73648%0.476SS*.Hα-helixtrans-64.5-31.8176.900000112.6S404 Q405 L406 G410S404-A408 PolarHBondContact O-N 2.95Å; S404-A408 VanDerWaalsContact O-N 3.09Å; Q405-A408 WeakPolarHBondContact O-CB 3.38Å; Q405-A408 PolarHBondContact O-N 2.99Å; Q405-A408 VanDerWaalsContact O-N 3.16Å; L406-A408 VanDerWaalsContact C-N 3.35Å; L406-A408 PolarHBondContact O-N 3.43Å; A408-G410 VanDerWaalsContact C-N 3.29Å
409L84.5Confident82.4Confident117 Ų11779 Ų7961%0.61345%0.452SS*.THydrogen-bonded Turntrans-85.11.4175.9-67.7167.7000113.3Q405 L406 K407 V411 L422Q405-L409 WeakPolarHBondContact O-CG 3.43Å; Q405-L409 PolarHBondContact O-N 2.85Å; L406-L409 CarbonylContact O-C 3.54Å; L406-L409 PolarHBondContact O-N 2.86Å; K407-L409 VanDerWaalsContact C-N 3.26Å; K407-L409 PolarHBondContact O-N 2.81Å; L409-V411 VanDerWaalsContact C-N 3.3Å; L409-V411 PolarHBondContact O-N 3Å; L409-L422 HydrophobicContact CD1-CD1 4.48Å; L409-L422 HydrophobicContact CD1-CD2 3.89Å
410G82.7Confident82.3Confident71 Ų7180.1 Ų80.173%0.73245%0.453SS*.THydrogen-bonded Turntrans73.718.3179.200000114.5L406 K407 A408L406-G410 PolarHBondContact O-N 3.35Å; L406-G410 VanDerWaalsContact O-N 3.17Å; K407-G410 PolarHBondContact O-N 3.23Å; K407-G410 VanDerWaalsContact O-N 3.13Å; A408-G410 VanDerWaalsContact C-N 3.29Å
411V84.3Confident82.6Confident24 Ų2479.3 Ų79.315%0.14544%0.442CS..  trans-101.9129.4178.1179.50000109.6L406 L409 A418 V419 L422L406-V411 CarbonylContact C-O 3.54Å; L406-V411 HydrophobicContact CD2-CB 4.22Å; L406-V411 HydrophobicContact CD2-CG1 4.16Å; L406-V411 PolarHBondContact O-N 3Å; L406-V411 VanDerWaalsContact O-O 3.12Å; L409-V411 VanDerWaalsContact C-N 3.3Å; L409-V411 PolarHBondContact O-N 3Å; V411-A418 HydrophobicContact CG1-CB 3.83Å; V411-V419 HydrophobicContact CG1-CG2 3.92Å; V411-L422 HydrophobicContact CB-CD2 4.44Å; V411-L422 HydrophobicContact CG2-CD2 4.02Å
412D79.3Confident82.6Confident102 Ų10275.3 Ų75.355%0.54542%0.424SS..  trans-71129174.8-165.9-6.6000110.2E414 D415D412-E414 PolarHBondContact O-N 3.08Å; D412-E414 PolarHBondContact OD1-N 2.88Å; D412-D415 HydrophobicContact CB-CB 4.32Å; D412-D415 PolarHBondContact O-N 2.85Å
413A74.3Confident82.5Confident29 Ų2975.4 Ų75.424%0.2443%0.427CS..THydrogen-bonded Turntrans-70.7-20.118000000112.5L406L406-A413 HydrophobicContact CD1-CB 3.98Å
414E78.9Confident82.6Confident152 Ų15271.9 Ų71.971%0.7142%0.419SS*.THydrogen-bonded Turntrans-88.6-3177.4-58.1-61.3145.600112.7D412 P416D412-E414 PolarHBondContact O-N 3.08Å; D412-E414 PolarHBondContact OD1-N 2.88Å; E414-P416 WeakPolarHBondContact O-CD 3.21Å
415D82.8Confident82.7Confident71 Ų7171.9 Ų71.938%0.3841%0.413SS..  trans-99.296.1173.1-174.9-5.3000111.5D412 A417 A418 V419D412-D415 HydrophobicContact CB-CB 4.32Å; D412-D415 PolarHBondContact O-N 2.85Å; D415-A417 PolarHBondContact O-N 3.16Å; D415-A417 VanDerWaalsContact O-N 3.16Å; D415-A417 WeakPolarHBondContact OD1-CB 3.37Å; D415-A417 PolarHBondContact OD1-N 2.91Å; D415-A418 HydrophobicContact CB-CB 4.1Å; D415-A418 PolarHBondContact O-N 2.99Å; D415-A418 PolarHBondContact OD1-N 3.48Å; D415-A418 WeakPolarHBondContact OD2-CB 3.4Å; D415-V419 VanDerWaalsContact O-CG2 3.32Å; D415-V419 WeakPolarHBondContact O-CG2 3.37Å; D415-V419 PolarHBondContact O-N 3.16Å; D415-V419 VanDerWaalsContact O-N 3.13Å
416P79.7Confident82.7Confident78 Ų7872.1 Ų72.151%0.50642%0.421SS..Hα-helixtrans-70.3-11.8-176.230.3-37.1000113.8E414 R420E414-P416 WeakPolarHBondContact O-CD 3.21Å; P416-R420 WeakPolarHBondContact O-CB 3.29Å; P416-R420 WeakPolarHBondContact O-CG 3.31Å; P416-R420 PolarHBondContact O-N 3.09Å; P416-R420 PolarHBondContact O-NE 3.49Å
417A83.6Confident82.6Confident51 Ų5176.4 Ų76.442%0.42144%0.444SS..Hα-helixtrans-82.3-49.4174.500000110.2D415 V419 R420 D421D415-A417 PolarHBondContact O-N 3.16Å; D415-A417 VanDerWaalsContact O-N 3.16Å; D415-A417 WeakPolarHBondContact OD1-CB 3.37Å; D415-A417 PolarHBondContact OD1-N 2.91Å; A417-V419 VanDerWaalsContact C-N 3.32Å; A417-V419 PolarHBondContact O-N 3.05Å; A417-R420 WeakPolarHBondContact O-CB 3.45Å; A417-R420 PolarHBondContact O-N 2.89Å; A417-R420 VanDerWaalsContact O-N 3.1Å; A417-D421 PolarHBondContact O-N 3.29Å
418A82.2Confident82.6Confident30 Ų3077.9 Ų77.925%0.24845%0.446CS..Hα-helixtrans-62.2-38.9177.700000112.5V411 D415 R420 D421 L422V411-A418 HydrophobicContact CG1-CB 3.83Å; D415-A418 HydrophobicContact CB-CB 4.1Å; D415-A418 PolarHBondContact O-N 2.99Å; D415-A418 PolarHBondContact OD1-N 3.48Å; D415-A418 WeakPolarHBondContact OD2-CB 3.4Å; A418-R420 VanDerWaalsContact C-N 3.34Å; A418-D421 PolarHBondContact O-N 3.11Å; A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 PolarHBondContact O-N 3.23Å
419V83.5Confident82.2Confident6 Ų680 Ų804%0.03644%0.441CS..Hα-helixtrans-64.6-39.4174.3177.80000111.2L393 F402 L406 V411 D415 A417 V423L393-V419 HydrophobicContact CD2-CG1 3.68Å; F402-V419 HydrophobicContact CE1-CG1 4.32Å; F402-V419 HydrophobicContact CZ-CG1 3.8Å; L406-V419 HydrophobicContact CD1-CG1 4.38Å; L406-V419 HydrophobicContact CD1-CG2 3.96Å; L406-V419 HydrophobicContact CD2-CG1 4.29Å; L406-V419 HydrophobicContact CD2-CG2 4.1Å; V411-V419 HydrophobicContact CG1-CG2 3.92Å; D415-V419 VanDerWaalsContact O-CG2 3.32Å; D415-V419 WeakPolarHBondContact O-CG2 3.37Å; D415-V419 PolarHBondContact O-N 3.16Å; D415-V419 VanDerWaalsContact O-N 3.13Å; A417-V419 VanDerWaalsContact C-N 3.32Å; A417-V419 PolarHBondContact O-N 3.05Å; V419-V423 HydrophobicContact CG1-CG2 4.37Å; V419-V423 WeakPolarHBondContact O-CB 3.24Å; V419-V423 WeakPolarHBondContact O-CG2 3.38Å; V419-V423 PolarHBondContact O-N 3.04Å
420R83.4Confident80.8Confident145 Ų14581 Ų8155%0.54745%0.447SS..Hα-helixtrans-64.7-44.6176.4-93.1-177-94.4-173-8112.2L393 P416 A417 A418 V423 A424L393-R420 HydrophobicContact CD1-CG 3.52Å; P416-R420 WeakPolarHBondContact O-CB 3.29Å; P416-R420 WeakPolarHBondContact O-CG 3.31Å; P416-R420 PolarHBondContact O-N 3.09Å; P416-R420 PolarHBondContact O-NE 3.49Å; A417-R420 WeakPolarHBondContact O-CB 3.45Å; A417-R420 PolarHBondContact O-N 2.89Å; A417-R420 VanDerWaalsContact O-N 3.1Å; A418-R420 VanDerWaalsContact C-N 3.34Å; R420-V423 PolarHBondContact O-N 3.23Å; R420-A424 VanDerWaalsContact O-CB 3.27Å; R420-A424 WeakPolarHBondContact O-CB 3.23Å; R420-A424 PolarHBondContact O-N 3.46Å
421D84.2Confident79.4Confident104 Ų10483.9 Ų83.956%0.55645%0.45SS*.Hα-helixtrans-65.2-41.9179.2-73.4-12.6000111.4A417 A418 A424 N425A417-D421 PolarHBondContact O-N 3.29Å; A418-D421 PolarHBondContact O-N 3.11Å; D421-A424 PolarHBondContact O-N 3.43Å; D421-N425 WeakPolarHBondContact O-CB 3.35Å; D421-N425 PolarHBondContact O-N 2.76Å; D421-N425 PolarHBondContact O-ND2 2.8Å; D421-N425 VanDerWaalsContact O-ND2 3.15Å
422L84.9Confident77.4Confident40 Ų4091.4 Ų91.421%0.20948%0.484CS..Hα-helixtrans-60.3-49.3174.1-179.272.3000111.5L406 L409 V411 A418 A424 N425 V426L406-L422 HydrophobicContact CD2-CD2 3.66Å; L409-L422 HydrophobicContact CD1-CD1 4.48Å; L409-L422 HydrophobicContact CD1-CD2 3.89Å; V411-L422 HydrophobicContact CB-CD2 4.44Å; V411-L422 HydrophobicContact CG2-CD2 4.02Å; A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 PolarHBondContact O-N 3.23Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.89Å; L422-N425 PolarHBondContact O-N 2.75Å; L422-V426 VanDerWaalsContact O-CG2 3.31Å; L422-V426 WeakPolarHBondContact O-CG2 3.4Å; L422-V426 PolarHBondContact O-N 3.2Å
423V83.4Confident75.7Confident22 Ų2295.8 Ų95.813%0.13351%0.514CS..Hα-helixtrans-63.7-39.3-180170.70000110.8L392 L393 L396 V419 R420 V426 L427L392-V423 HydrophobicContact CD2-CG1 3.79Å; L393-V423 HydrophobicContact CD2-CG2 3.93Å; L396-V423 HydrophobicContact CD1-CG2 4.26Å; V419-V423 HydrophobicContact CG1-CG2 4.37Å; V419-V423 WeakPolarHBondContact O-CB 3.24Å; V419-V423 WeakPolarHBondContact O-CG2 3.38Å; V419-V423 PolarHBondContact O-N 3.04Å; R420-V423 PolarHBondContact O-N 3.23Å; V423-V426 PolarHBondContact O-N 3.38Å; V423-L427 HydrophobicContact CG1-CD1 3.64Å; V423-L427 HydrophobicContact CG1-CG 4.39Å; V423-L427 WeakPolarHBondContact O-CB 3.36Å; V423-L427 VanDerWaalsContact O-CG 3.26Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.2Å
424A83.1Confident75.8Confident39 Ų3999.1 Ų99.132%0.32253%0.528SS..Hα-helixtrans-64.8-43.6175.200000111.7R420 D421 L422 L427 Y428R420-A424 VanDerWaalsContact O-CB 3.27Å; R420-A424 WeakPolarHBondContact O-CB 3.23Å; R420-A424 PolarHBondContact O-N 3.46Å; D421-A424 PolarHBondContact O-N 3.43Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.89Å; A424-L427 PolarHBondContact O-N 3.38Å; A424-Y428 HydrophobicContact CB-CD2 4.36Å; A424-Y428 WeakPolarHBondContact O-CB 3.45Å; A424-Y428 WeakPolarHBondContact O-CD2 3.47Å; A424-Y428 PolarHBondContact O-N 3.05Å
425N84.6Confident75.6Confident72 Ų7296.3 Ų96.339%0.38552%0.519SS..Hα-helixtrans-60.6-46.5174.9-72.6-28.7000111D421 L422 L427 Q429D421-N425 WeakPolarHBondContact O-CB 3.35Å; D421-N425 PolarHBondContact O-N 2.76Å; D421-N425 PolarHBondContact O-ND2 2.8Å; D421-N425 VanDerWaalsContact O-ND2 3.15Å; L422-N425 PolarHBondContact O-N 2.75Å; N425-L427 PolarHBondContact O-N 3.23Å; N425-Q429 HydrophobicContact CB-CG 4.43Å; N425-Q429 WeakPolarHBondContact O-CA 3.05Å; N425-Q429 WeakPolarHBondContact O-CB 3.45Å; N425-Q429 PolarHBondContact O-N 3.1Å; N425-Q429 VanDerWaalsContact OD1-CD 3.32Å; N425-Q429 PolarHBondContact OD1-NE2 3.36Å
426V84.2Confident75.2Confident109 Ų10997.7 Ų97.766%0.66153%0.526SS*.Hα-helixtrans-65-37.1-179.3172.10000113L422 V423L422-V426 VanDerWaalsContact O-CG2 3.31Å; L422-V426 WeakPolarHBondContact O-CG2 3.4Å; L422-V426 PolarHBondContact O-N 3.2Å; V423-V426 PolarHBondContact O-N 3.38Å
427L83.1Confident75Confident95 Ų9598.9 Ų98.950%0.49753%0.528SS..Hα-helixtrans-86-31.8-176-69170.4000114L392 V423 A424 N425L392-L427 HydrophobicContact CD2-CD1 3.47Å; L392-L427 VanDerWaalsContact CD2-CD1 3.47Å; L392-L427 HydrophobicContact CD2-CG 4.5Å; V423-L427 HydrophobicContact CG1-CD1 3.64Å; V423-L427 HydrophobicContact CG1-CG 4.39Å; V423-L427 WeakPolarHBondContact O-CB 3.36Å; V423-L427 VanDerWaalsContact O-CG 3.26Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.2Å; A424-L427 PolarHBondContact O-N 3.38Å; N425-L427 PolarHBondContact O-N 3.23Å
428Y82.4Confident74.5Confident189 Ų189101.9 Ų101.974%0.74153%0.534SS*.Hα-helixtrans-121.7-13.8-168.1-57.4-71.3000114.4A424 D430A424-Y428 HydrophobicContact CB-CD2 4.36Å; A424-Y428 WeakPolarHBondContact O-CB 3.45Å; A424-Y428 WeakPolarHBondContact O-CD2 3.47Å; A424-Y428 PolarHBondContact O-N 3.05Å; Y428-D430 PolarHBondContact O-N 2.96Å
429Q77.7Confident73.9Confident133 Ų133106.7 Ų106.762%0.62155%0.553SS**SBendtrans-78.9106.4165.3-70.2-179.6-29.300108N425 T431N425-Q429 HydrophobicContact CB-CG 4.43Å; N425-Q429 WeakPolarHBondContact O-CA 3.05Å; N425-Q429 WeakPolarHBondContact O-CB 3.45Å; N425-Q429 PolarHBondContact O-N 3.1Å; N425-Q429 VanDerWaalsContact OD1-CD 3.32Å; N425-Q429 PolarHBondContact OD1-NE2 3.36Å; Q429-T431 PolarHBondContact O-N 3.34Å
430D55Low73.3Confident139 Ų139113.9 Ų113.974%0.74359%0.59SS**  trans-45.5132.9163.3-82.5-34.5000109Y428 Q432Y428-D430 PolarHBondContact O-N 2.96Å; D430-Q432 PolarHBondContact O-N 3.37Å
431T52Low72.5Confident131 Ų131111.5 Ų111.580%0.80459%0.593SS**  trans-60.478.8157.9180000107.6Q429 T433Q429-T431 PolarHBondContact O-N 3.34Å; T431-T433 PolarHBondContact O-N 3.42Å
432Q44.1Very low71.5Confident182 Ų182112.1 Ų112.185%0.8560%0.597SS**  trans-72.479.6158.9-77.4-169.2-2.200107.3D430D430-Q432 PolarHBondContact O-N 3.37Å
433T43.4Very low70.3Confident194 Ų194118.6 Ų118.6100%1.1963%0.632SS**  trans-132.20158.646.40000108.8T431T431-T433 PolarHBondContact O-N 3.42Å

Retrieved 433 of 433 residues in 191 ms (Link to these results)

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