X5J5M3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5M3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 89 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
1L93.7Very high88.9Confident100 Ų10056.9 Ų56.952%0.52437%0.372SS..  0142.20-63.5168.1000108.1W18 F61 L62 Y75L1-W18 HydrophobicContact CB-CH2 3.85Å; L1-W18 HydrophobicContact CB-CZ2 4.42Å; L1-W18 HydrophobicContact CB-CZ3 4.21Å; L1-F61 CarbonylContact O-C 3.55Å; L1-F61 VanDerWaalsContact O-CA 3.23Å; L1-F61 WeakPolarHBondContact O-CA 3.24Å; L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 3.93Å; L1-L62 HydrophobicContact CD1-CG 4.47Å; L1-L62 PolarHBondContact N-O 2.86Å; L1-L62 PolarHBondContact O-N 3.07Å; L1-Y75 HydrophobicContact CD1-CD1 3.64Å; L1-Y75 HydrophobicContact CD1-CD2 3.78Å; L1-Y75 HydrophobicContact CD1-CE1 4.17Å; L1-Y75 HydrophobicContact CD1-CE2 4.3Å; L1-Y75 HydrophobicContact CD1-CG 3.41Å; L1-Y75 VanDerWaalsContact CD1-CG 3.41Å
2T95.1Very high88.5Confident79 Ų7957.8 Ų57.849%0.48538%0.38SS..EExtended strand (participates in β ladder)trans-126.8132.9-175.4-56.30000108.2Q59 F61T2-Q59 HydrophobicContact CG2-CB 4.3Å; T2-Q59 HydrophobicContact CG2-CG 4.02Å; T2-F61 HydrophobicContact CG2-CD1 3.84Å; T2-F61 HydrophobicContact CG2-CE1 3.51Å; T2-F61 HydrophobicContact CG2-CZ 4.39Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.39Å
3C92.8Very high87.5Confident7 Ų753.5 Ų53.55%0.04735%0.353CS..EExtended strand (participates in β ladder)trans-117.8125.6169.6-175.40000108.8W18 Q59 F60 C77C3-W18 HydrophobicContact CB-CH2 3.91Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; C3-Q59 VanDerWaalsContact O-CA 3.31Å; C3-Q59 WeakPolarHBondContact O-CA 3.39Å; C3-F60 HydrophobicContact CB-CD1 3.74Å; C3-F60 HydrophobicContact CB-CE1 3.4Å; C3-F60 VanDerWaalsContact CB-CE1 3.4Å; C3-F60 HydrophobicContact CB-CG 4.49Å; C3-F60 HydrophobicContact CB-CZ 3.9Å; C3-F60 PolarHBondContact N-O 3.42Å; C3-F60 PolarHBondContact O-N 2.93Å; C3-F60 WeakPolarHBondContact SG-CE1 3.5Å; C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.27Å; C3-C77 WeakPolarHBondContact SG-CB 3.39Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.39Å
4S92.4Very high87Confident60 Ų6057.1 Ų57.142%0.4236%0.356SS..EExtended strand (participates in β ladder)trans-102.5124178.8-55.30000108.6Q59S4-Q59 WeakPolarHBondContact OG-CG 3.38Å; S4-Q59 PolarHBondContact OG-NE2 2.99Å
5I87.3Confident87Confident7 Ų759.4 Ų59.44%0.03636%0.357CS..  trans-87.7138.6179.4-63.8151.9000107.9F8 I10 W16 N58 F60I5-F8 HydrophobicContact CG2-CD2 4.29Å; I5-F8 HydrophobicContact CG2-CE1 4.47Å; I5-F8 HydrophobicContact CG2-CE2 4.1Å; I5-F8 HydrophobicContact CG2-CZ 4.17Å; I5-I10 HydrophobicContact CD1-CB 3.58Å; I5-I10 HydrophobicContact CD1-CD1 3.66Å; I5-I10 HydrophobicContact CD1-CG1 3.37Å; I5-W16 HydrophobicContact CB-CH2 4.17Å; I5-W16 HydrophobicContact CD1-CD2 3.61Å; I5-W16 VanDerWaalsContact CD1-CE2 3.48Å; I5-W16 HydrophobicContact CD1-CE3 3.67Å; I5-W16 HydrophobicContact CD1-CG 4.38Å; I5-W16 HydrophobicContact CD1-CH2 3.46Å; I5-W16 VanDerWaalsContact CD1-CH2 3.46Å; I5-W16 HydrophobicContact CD1-CZ2 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ2 3.43Å; I5-W16 HydrophobicContact CD1-CZ3 3.6Å; I5-W16 HydrophobicContact CG1-CD2 4.41Å; I5-W16 HydrophobicContact CG1-CE3 3.97Å; I5-W16 HydrophobicContact CG1-CH2 3.57Å; I5-W16 HydrophobicContact CG1-CZ2 4.08Å; I5-W16 HydrophobicContact CG1-CZ3 3.53Å; I5-W16 HydrophobicContact CG2-CH2 3.48Å; I5-W16 VanDerWaalsContact CG2-CH2 3.48Å; I5-W16 HydrophobicContact CG2-CZ2 4.06Å; I5-W16 HydrophobicContact CG2-CZ3 4.18Å; I5-N58 PolarHBondContact N-O 2.92Å; I5-N58 PolarHBondContact O-ND2 3.47Å; I5-F60 HydrophobicContact CD1-CD1 4.01Å; I5-F60 HydrophobicContact CD1-CE1 4.33Å; I5-F60 HydrophobicContact CG1-CD1 4.43Å; I5-F60 HydrophobicContact CG1-CE1 4.44Å
6T86Confident87.3Confident99 Ų9955.8 Ų55.861%0.60734%0.335SS*.  trans-122.5153.8178.867.30000110.5F8T6-F8 VanDerWaalsContact C-N 3.28Å; T6-F8 PolarHBondContact O-N 3.2Å
7G82.8Confident87.6Confident88 Ų8853.8 Ų53.891%0.90732%0.321SS*.SBendtrans84.2-22.6177.700000116
8F84.3Confident88Confident59 Ų5951.2 Ų51.226%0.25931%0.305SS..SBendtrans-158.3161.4177.655.2-83.3000113I5 T6 W16 N58I5-F8 HydrophobicContact CG2-CD2 4.29Å; I5-F8 HydrophobicContact CG2-CE1 4.47Å; I5-F8 HydrophobicContact CG2-CE2 4.1Å; I5-F8 HydrophobicContact CG2-CZ 4.17Å; T6-F8 VanDerWaalsContact C-N 3.28Å; T6-F8 PolarHBondContact O-N 3.2Å; F8-W16 HydrophobicContact CD2-CH2 4.39Å; F8-W16 HydrophobicContact CD2-CZ2 4.4Å; F8-W16 AromaticContact CE2-CH2 3.34Å; F8-W16 HydrophobicContact CE2-CH2 3.34Å; F8-W16 AromaticContact CE2-CZ2 3.59Å; F8-W16 HydrophobicContact CE2-CZ2 3.59Å; F8-W16 AromaticContact CZ-CH2 3.6Å; F8-W16 HydrophobicContact CZ-CH2 3.6Å; F8-W16 HydrophobicContact CZ-CZ2 4.32Å; F8-N58 PolarHBondContact O-ND2 2.81Å
9P87.9Confident88.3Confident66 Ų6649.7 Ų49.743%0.42930%0.295SS..  trans-64.3143175.7-20.732.6000112.9T11 S12 N58P9-T11 PolarHBondContact O-N 3.3Å; P9-S12 WeakPolarHBondContact CD-OG 3.36Å; P9-S12 VanDerWaalsContact O-CB 3.24Å; P9-S12 WeakPolarHBondContact O-CB 3.36Å; P9-S12 PolarHBondContact O-N 3.2Å; P9-S12 PolarHBondContact O-OG 2.93Å; P9-N58 WeakPolarHBondContact CA-OD1 3.37Å
10I87.2Confident88.5Confident0 Ų048 Ų480%028%0.283CS..THydrogen-bonded Turntrans-59.4-21174.5-175.5169.3000112.3I5 S12 W16 R53 T55 N58 Q59 F60I5-I10 HydrophobicContact CD1-CB 3.58Å; I5-I10 HydrophobicContact CD1-CD1 3.66Å; I5-I10 HydrophobicContact CD1-CG1 3.37Å; I10-S12 VanDerWaalsContact C-N 3.3Å; I10-W16 HydrophobicContact CG1-CG 4.4Å; I10-W16 PolarHBondContact O-NE1 2.73Å; I10-R53 HydrophobicContact CD1-CB 3.84Å; I10-T55 HydrophobicContact CG2-CG2 4.01Å; I10-N58 WeakPolarHBondContact CB-OD1 3.28Å; I10-N58 PolarHBondContact N-OD1 2.8Å; I10-Q59 WeakPolarHBondContact CD1-O 3.46Å; I10-F60 HydrophobicContact CD1-CB 3.77Å; I10-F60 HydrophobicContact CD1-CD1 4.44Å
11T88.3Confident88.7Confident61 Ų6149 Ų4937%0.37429%0.286SS..THydrogen-bonded Turntrans-82.9-5.2174.851.90000113.6P9 H35 T55P9-T11 PolarHBondContact O-N 3.3Å; T11-H35 WeakPolarHBondContact O-CB 3.41Å; T11-T55 HydrophobicContact CG2-CG2 3.74Å
12S84.4Confident88.6Confident68 Ų6845.1 Ų45.148%0.47627%0.266SS..SBendtrans-92-13.7-177.6-60.70000114.1P9 I10P9-S12 WeakPolarHBondContact CD-OG 3.36Å; P9-S12 VanDerWaalsContact O-CB 3.24Å; P9-S12 WeakPolarHBondContact O-CB 3.36Å; P9-S12 PolarHBondContact O-N 3.2Å; P9-S12 PolarHBondContact O-OG 2.93Å; I10-S12 VanDerWaalsContact C-N 3.3Å
13G75.9Confident88.5Confident2 Ų246.6 Ų46.62%0.02128%0.278CS..SBendtrans-93155.7174.800000112.4H35 D80G13-H35 VanDerWaalsContact O-CB 3.26Å; G13-H35 WeakPolarHBondContact O-CB 3.42Å; G13-D80 CarbonylContact C-O 3.44Å; G13-D80 WeakPolarHBondContact CA-O 3.45Å
14Y79.8Confident88.5Confident103 Ų10350.7 Ų50.740%0.40432%0.32SS..SBendtrans-69.4-47175.9-73.2-71000112T34 H35 D80 D82Y14-T34 WeakPolarHBondContact O-CA 3.3Å; Y14-H35 PolarHBondContact O-N 3.28Å; Y14-D80 PolarHBondContact N-O 3.25Å; Y14-D82 WeakPolarHBondContact CE2-OD1 3.45Å; Y14-D82 PolarHBondContact OH-OD1 3.32Å; Y14-D82 VanDerWaalsContact OH-OD1 3.14Å
15Y87.7Confident88.5Confident92 Ų9254.1 Ų54.136%0.36133%0.328SS..EExtended strand (participates in β ladder)trans-143.5142.5-172.4-45.4-73.6000111.4Y32 T34 D80Y15-Y32 AromaticContact CD1-CD2 3.77Å; Y15-Y32 HydrophobicContact CD1-CD2 3.77Å; Y15-Y32 AromaticContact CD1-CE2 3.58Å; Y15-Y32 HydrophobicContact CD1-CE2 3.58Å; Y15-Y32 HydrophobicContact CE1-CE2 4.07Å; Y15-Y32 HydrophobicContact CG-CD2 4.38Å; Y15-Y32 HydrophobicContact CG-CE2 4.5Å; Y15-T34 HydrophobicContact CD1-CG2 3.92Å; Y15-T34 HydrophobicContact CE1-CG2 4.02Å; Y15-D80 HydrophobicContact CD2-CB 4.33Å; Y15-D80 PolarHBondContact N-O 3.14Å; Y15-D80 PolarHBondContact O-N 3.35Å
16W90.9Very high88.7Confident2 Ų259 Ų591%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-119.4122.7171.4-61.7101.8000109.9I5 F8 I10 Y32 I33 F60 A78I5-W16 HydrophobicContact CB-CH2 4.17Å; I5-W16 HydrophobicContact CD1-CD2 3.61Å; I5-W16 VanDerWaalsContact CD1-CE2 3.48Å; I5-W16 HydrophobicContact CD1-CE3 3.67Å; I5-W16 HydrophobicContact CD1-CG 4.38Å; I5-W16 HydrophobicContact CD1-CH2 3.46Å; I5-W16 VanDerWaalsContact CD1-CH2 3.46Å; I5-W16 HydrophobicContact CD1-CZ2 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ2 3.43Å; I5-W16 HydrophobicContact CD1-CZ3 3.6Å; I5-W16 HydrophobicContact CG1-CD2 4.41Å; I5-W16 HydrophobicContact CG1-CE3 3.97Å; I5-W16 HydrophobicContact CG1-CH2 3.57Å; I5-W16 HydrophobicContact CG1-CZ2 4.08Å; I5-W16 HydrophobicContact CG1-CZ3 3.53Å; I5-W16 HydrophobicContact CG2-CH2 3.48Å; I5-W16 VanDerWaalsContact CG2-CH2 3.48Å; I5-W16 HydrophobicContact CG2-CZ2 4.06Å; I5-W16 HydrophobicContact CG2-CZ3 4.18Å; F8-W16 HydrophobicContact CD2-CH2 4.39Å; F8-W16 HydrophobicContact CD2-CZ2 4.4Å; F8-W16 AromaticContact CE2-CH2 3.34Å; F8-W16 HydrophobicContact CE2-CH2 3.34Å; F8-W16 AromaticContact CE2-CZ2 3.59Å; F8-W16 HydrophobicContact CE2-CZ2 3.59Å; F8-W16 AromaticContact CZ-CH2 3.6Å; F8-W16 HydrophobicContact CZ-CH2 3.6Å; F8-W16 HydrophobicContact CZ-CZ2 4.32Å; I10-W16 HydrophobicContact CG1-CG 4.4Å; I10-W16 PolarHBondContact O-NE1 2.73Å; W16-Y32 CarbonylContact O-C 3.59Å; W16-Y32 WeakPolarHBondContact O-CA 3.27Å; W16-Y32 VanDerWaalsContact O-CB 3.22Å; W16-Y32 WeakPolarHBondContact O-CB 3.45Å; W16-I33 HydrophobicContact CB-CG2 3.88Å; W16-I33 PolarHBondContact N-O 3.48Å; W16-I33 PolarHBondContact O-N 2.8Å; W16-F60 HydrophobicContact CB-CD1 4.26Å; W16-F60 HydrophobicContact CB-CD2 4.09Å; W16-F60 HydrophobicContact CB-CE1 4.06Å; W16-F60 HydrophobicContact CB-CE2 3.89Å; W16-F60 HydrophobicContact CB-CG 4.26Å; W16-F60 HydrophobicContact CB-CZ 3.86Å; W16-F60 HydrophobicContact CD2-CE1 4.4Å; W16-F60 HydrophobicContact CE3-CE1 4.01Å; W16-F60 HydrophobicContact CE3-CZ 4.47Å; W16-F60 HydrophobicContact CG-CE1 4.45Å; W16-A78 CarbonylContact C-O 3.46Å; W16-A78 WeakPolarHBondContact CA-O 3.49Å
17I92.4Very high89Confident21 Ų2159 Ų5911%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-116.2140.6-161.7-54.7179.2000109.9I19 W29 C77 A78 W85I17-I19 HydrophobicContact CG2-CD1 4.37Å; I17-I19 HydrophobicContact CG2-CG1 3.85Å; I17-W29 VanDerWaalsContact CG2-CD1 3.42Å; I17-C77 WeakPolarHBondContact O-CA 3.36Å; I17-A78 HydrophobicContact CB-CB 4.47Å; I17-A78 PolarHBondContact N-O 3.16Å; I17-A78 PolarHBondContact O-N 3.16Å; I17-W85 HydrophobicContact CD1-CE3 4.44Å; I17-W85 HydrophobicContact CD1-CH2 4.33Å; I17-W85 HydrophobicContact CD1-CZ3 3.55Å
18W94.3Very high89.5Confident7 Ų757.2 Ų57.23%0.02732%0.324CS..EExtended strand (participates in β ladder)trans-105.1132.4164.5-77.1103000110.7L1 C3 M30 G31 F60 L62 C77L1-W18 HydrophobicContact CB-CH2 3.85Å; L1-W18 HydrophobicContact CB-CZ2 4.42Å; L1-W18 HydrophobicContact CB-CZ3 4.21Å; C3-W18 HydrophobicContact CB-CH2 3.91Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; W18-M30 HydrophobicContact CB-CB 4.19Å; W18-M30 WeakPolarHBondContact O-CB 3.39Å; W18-M30 PolarHBondContact O-N 3.44Å; W18-G31 PolarHBondContact N-O 2.85Å; W18-F60 AromaticContact CD1-CD2 3.88Å; W18-F60 AromaticContact CD1-CE2 3.53Å; W18-F60 HydrophobicContact CD2-CE2 4.17Å; W18-F60 AromaticContact CE2-CD2 3.85Å; W18-F60 AromaticContact CE2-CE2 3.53Å; W18-F60 HydrophobicContact CG-CE2 4.17Å; W18-F60 HydrophobicContact CZ2-CD2 4.25Å; W18-F60 HydrophobicContact CZ2-CE2 4.08Å; W18-F60 AromaticContact NE1-CD2 3.17Å; W18-F60 AromaticContact NE1-CE2 3.1Å; W18-L62 HydrophobicContact CB-CD2 4.16Å; W18-L62 HydrophobicContact CD2-CB 3.55Å; W18-L62 HydrophobicContact CD2-CD2 3.8Å; W18-L62 HydrophobicContact CD2-CG 4.27Å; W18-L62 HydrophobicContact CE3-CB 4.16Å; W18-L62 HydrophobicContact CE3-CD2 3.86Å; W18-L62 HydrophobicContact CG-CB 3.84Å; W18-L62 HydrophobicContact CG-CD1 4.48Å; W18-L62 HydrophobicContact CG-CD2 3.93Å; W18-L62 HydrophobicContact CG-CG 4.32Å; W18-L62 HydrophobicContact CH2-CB 4.37Å; W18-L62 HydrophobicContact CZ2-CB 3.79Å; W18-C77 HydrophobicContact CE3-CB 4.43Å; W18-C77 HydrophobicContact CH2-CB 4.32Å; W18-C77 HydrophobicContact CZ3-CB 4.23Å
19I94Very high89.9Confident24 Ų2458.7 Ų58.712%0.12333%0.328CS..EExtended strand (participates in β ladder)trans-128.5139.7178.7-53.6172.5000107.4I17 L27 E28 Y75 Y76 A78 F87I17-I19 HydrophobicContact CG2-CD1 4.37Å; I17-I19 HydrophobicContact CG2-CG1 3.85Å; I19-L27 HydrophobicContact CG2-CB 3.79Å; I19-L27 HydrophobicContact CG2-CD2 3.64Å; I19-L27 HydrophobicContact CG2-CG 4.22Å; I19-E28 WeakPolarHBondContact CA-O 3.33Å; I19-Y75 CarbonylContact O-C 3.58Å; I19-Y75 WeakPolarHBondContact O-CA 3.26Å; I19-Y76 PolarHBondContact N-O 2.9Å; I19-Y76 PolarHBondContact O-N 3.27Å; I19-A78 HydrophobicContact CD1-CB 4.49Å; I19-F87 HydrophobicContact CD1-CE1 4.42Å
20R93Very high90.2Very high15 Ų1555.6 Ų55.66%0.05731%0.307CS..EExtended strand (participates in β ladder)trans-118.9154.6169.468.4178.3-174.8-177.90.1111.8E28 M30 D71 A73 M74 Y75R20-E28 HydrophobicContact CG-CB 4.08Å; R20-E28 IonicContact CZ-OE2 3.21Å; R20-E28 PolarHBondContact N-O 2.95Å; R20-E28 IonicContact NE-OE2 2.93Å; R20-E28 PolarHBondContact NE-OE2 3.15Å; R20-E28 IonicContact NH2-OE1 2.73Å; R20-E28 PolarHBondContact NH2-OE1 3.24Å; R20-E28 IonicContact NH2-OE2 2.75Å; R20-E28 PolarHBondContact NH2-OE2 2.96Å; R20-E28 PolarHBondContact O-N 2.8Å; R20-M30 HydrophobicContact CB-CG 4.21Å; R20-M30 HydrophobicContact CB-SD 3.64Å; R20-M30 HydrophobicContact CG-CG 3.86Å; R20-M30 HydrophobicContact CG-SD 3.78Å; R20-D71 IonicContact NH1-OD1 2.89Å; R20-D71 PolarHBondContact NH1-OD1 2.82Å; R20-A73 HydrophobicContact CB-CB 4.03Å; R20-M74 CarbonylContact C-O 3.6Å; R20-M74 WeakPolarHBondContact CA-O 3.23Å; R20-Y75 HydrophobicContact CB-CD1 3.91Å; R20-Y75 HydrophobicContact CB-CE1 3.9Å
21Q93.1Very high90.5Very high70 Ų7055.6 Ų55.633%0.32731%0.307SS..EExtended strand (participates in β ladder)trans-136.1106.4173.6-169.2179.722.800110K25 L27 A73 M74 Y76Q21-K25 WeakPolarHBondContact CG-O 3.32Å; Q21-K25 PolarHBondContact NE2-O 2.92Å; Q21-L27 HydrophobicContact CB-CD2 3.91Å; Q21-L27 HydrophobicContact CG-CD2 4.33Å; Q21-A73 WeakPolarHBondContact O-CA 3.28Å; Q21-A73 WeakPolarHBondContact O-CB 3.21Å; Q21-M74 PolarHBondContact N-O 3.49Å; Q21-M74 PolarHBondContact O-N 3.01Å; Q21-Y76 HydrophobicContact CB-CE2 3.81Å; Q21-Y76 PolarHBondContact OE1-OH 2.98Å
22S91.9Very high90.8Very high17 Ų1755.2 Ų55.212%0.11930%0.3CS..  trans-70.9153.2170.4-47.70000110.4G24 K25S22-G24 PolarHBondContact O-N 2.86Å; S22-K25 PolarHBondContact O-N 3.01Å
23P92.9Very high91.3Very high111 Ų11152.2 Ų52.272%0.72128%0.278SS*.THydrogen-bonded Turntrans-52.1124.4176.4-2734.6000112.3K25 T72P23-K25 PolarHBondContact O-N 2.92Å; P23-T72 WeakPolarHBondContact CD-O 3.31Å
24G92.9Very high92Very high92 Ų9252.5 Ų52.595%0.94828%0.279SS*.THydrogen-bonded Turntrans72.66.9179.800000115.8S22S22-G24 PolarHBondContact O-N 2.86Å
25K91.1Very high92.4Very high133 Ų13351.8 Ų51.858%0.57828%0.279SS*.SBendtrans-107.9156.8176.6-65.8-163.7-175.9175.60111.8Q21 S22 P23Q21-K25 WeakPolarHBondContact CG-O 3.32Å; Q21-K25 PolarHBondContact NE2-O 2.92Å; S22-K25 PolarHBondContact O-N 3.01Å; P23-K25 PolarHBondContact O-N 2.92Å
26P92.2Very high92.5Very high109 Ų10950.7 Ų50.771%0.70829%0.285SS*.  trans-65.3169.3170.729.6-36.3000111.6E28P26-E28 PolarHBondContact O-N 2.84Å
27L92.9Very high92.5Very high98 Ų9852 Ų5251%0.51330%0.299SS..  trans-62.2131.8170.2-69.2167.5000110.1I19 Q21 Y76I19-L27 HydrophobicContact CG2-CB 3.79Å; I19-L27 HydrophobicContact CG2-CD2 3.64Å; I19-L27 HydrophobicContact CG2-CG 4.22Å; Q21-L27 HydrophobicContact CB-CD2 3.91Å; Q21-L27 HydrophobicContact CG-CD2 4.33Å; L27-Y76 HydrophobicContact CD2-CD2 3.93Å; L27-Y76 HydrophobicContact CD2-CE2 3.85Å
28E92.1Very high92.5Very high52 Ų5256.5 Ų56.524%0.24332%0.32CS..EExtended strand (participates in β ladder)trans-115116.2177-174.2-177.1-175.100109.1I19 R20 P26 M30I19-E28 WeakPolarHBondContact CA-O 3.33Å; R20-E28 HydrophobicContact CG-CB 4.08Å; R20-E28 IonicContact CZ-OE2 3.21Å; R20-E28 PolarHBondContact N-O 2.95Å; R20-E28 IonicContact NE-OE2 2.93Å; R20-E28 PolarHBondContact NE-OE2 3.15Å; R20-E28 IonicContact NH2-OE1 2.73Å; R20-E28 PolarHBondContact NH2-OE1 3.24Å; R20-E28 IonicContact NH2-OE2 2.75Å; R20-E28 PolarHBondContact NH2-OE2 2.96Å; R20-E28 PolarHBondContact O-N 2.8Å; P26-E28 PolarHBondContact O-N 2.84Å; E28-M30 PolarHBondContact O-N 3.4Å
29W93Very high92.5Very high90 Ų9058.7 Ų58.734%0.34133%0.334SS..EExtended strand (participates in β ladder)trans-64.6130.6171.8170.669.1000109.8I17 G31 Y32 N42I17-W29 VanDerWaalsContact CG2-CD1 3.42Å; W29-G31 VanDerWaalsContact CE2-CA 3.49Å; W29-G31 VanDerWaalsContact CZ2-CA 3.46Å; W29-G31 VanDerWaalsContact NE1-C 3.34Å; W29-G31 PolarHBondContact NE1-O 3.26Å; W29-Y32 AromaticContact CZ2-CD1 3.58Å; W29-Y32 HydrophobicContact CZ2-CD1 3.58Å; W29-Y32 AromaticContact CZ2-CE1 3.97Å; W29-Y32 HydrophobicContact CZ2-CE1 3.97Å; W29-Y32 AromaticContact NE1-CD1 3.96Å; W29-N42 HydrophobicContact CD2-CB 4.25Å; W29-N42 HydrophobicContact CE3-CB 3.44Å; W29-N42 VanDerWaalsContact CE3-CB 3.44Å; W29-N42 HydrophobicContact CH2-CB 4.21Å; W29-N42 HydrophobicContact CZ3-CB 3.44Å; W29-N42 VanDerWaalsContact CZ3-CB 3.44Å; W29-N42 VanDerWaalsContact O-CB 3.3Å; W29-N42 WeakPolarHBondContact O-CB 3.44Å; W29-N42 PolarHBondContact O-ND2 3.36Å
30M94.1Very high92.5Very high0 Ų062 Ų620%035%0.348CS..EExtended strand (participates in β ladder)trans-101.3-39.2-178.8-60.9-174.567.500112.5W18 R20 E28 N42 L45 I49 L62 L64 Y75W18-M30 HydrophobicContact CB-CB 4.19Å; W18-M30 WeakPolarHBondContact O-CB 3.39Å; W18-M30 PolarHBondContact O-N 3.44Å; R20-M30 HydrophobicContact CB-CG 4.21Å; R20-M30 HydrophobicContact CB-SD 3.64Å; R20-M30 HydrophobicContact CG-CG 3.86Å; R20-M30 HydrophobicContact CG-SD 3.78Å; E28-M30 PolarHBondContact O-N 3.4Å; M30-N42 WeakPolarHBondContact O-CB 3.34Å; M30-N42 PolarHBondContact O-N 3.07Å; M30-L45 HydrophobicContact CB-CD1 4.02Å; M30-L45 HydrophobicContact CE-CD2 4.42Å; M30-L45 HydrophobicContact CG-CD2 4.32Å; M30-L45 WeakPolarHBondContact O-CD1 3.42Å; M30-I49 HydrophobicContact CB-CD1 3.91Å; M30-I49 HydrophobicContact CE-CD1 4.05Å; M30-I49 HydrophobicContact CE-CG2 3.8Å; M30-L62 HydrophobicContact CE-CD1 4.28Å; M30-L62 HydrophobicContact CE-CD2 3.91Å; M30-L62 HydrophobicContact SD-CD2 3.85Å; M30-L64 HydrophobicContact CE-CD2 4.01Å; M30-Y75 HydrophobicContact CE-CE1 3.96Å; M30-Y75 HydrophobicContact SD-CD1 3.8Å; M30-Y75 HydrophobicContact SD-CE1 3.68Å
31G94.6Very high92.6Very high0 Ų065.7 Ų65.70%036%0.362CS..EExtended strand (participates in β ladder)trans167.3173.7-174.300000111.3W18 W29 F40 I51W18-G31 PolarHBondContact N-O 2.85Å; W29-G31 VanDerWaalsContact CE2-CA 3.49Å; W29-G31 VanDerWaalsContact CZ2-CA 3.46Å; W29-G31 VanDerWaalsContact NE1-C 3.34Å; W29-G31 PolarHBondContact NE1-O 3.26Å; G31-F40 CarbonylContact C-O 3.46Å; G31-F40 WeakPolarHBondContact CA-O 3.4Å; G31-I51 VanDerWaalsContact C-CD1 3.47Å
32Y93.8Very high92.6Very high54 Ų5463.6 Ų63.621%0.21235%0.353CS..EExtended strand (participates in β ladder)trans-145.7162.3172.768.8-99.4000112.2Y15 W16 W29 T34 T39 F40Y15-Y32 AromaticContact CD1-CD2 3.77Å; Y15-Y32 HydrophobicContact CD1-CD2 3.77Å; Y15-Y32 AromaticContact CD1-CE2 3.58Å; Y15-Y32 HydrophobicContact CD1-CE2 3.58Å; Y15-Y32 HydrophobicContact CE1-CE2 4.07Å; Y15-Y32 HydrophobicContact CG-CD2 4.38Å; Y15-Y32 HydrophobicContact CG-CE2 4.5Å; W16-Y32 CarbonylContact O-C 3.59Å; W16-Y32 WeakPolarHBondContact O-CA 3.27Å; W16-Y32 VanDerWaalsContact O-CB 3.22Å; W16-Y32 WeakPolarHBondContact O-CB 3.45Å; W29-Y32 AromaticContact CZ2-CD1 3.58Å; W29-Y32 HydrophobicContact CZ2-CD1 3.58Å; W29-Y32 AromaticContact CZ2-CE1 3.97Å; W29-Y32 HydrophobicContact CZ2-CE1 3.97Å; W29-Y32 AromaticContact NE1-CD1 3.96Å; Y32-T34 HydrophobicContact CD2-CG2 4.25Å; Y32-T34 HydrophobicContact CE2-CG2 3.81Å; Y32-T39 WeakPolarHBondContact O-CA 3.35Å; Y32-F40 HydrophobicContact CD1-CB 4.07Å; Y32-F40 HydrophobicContact CD2-CB 4.49Å; Y32-F40 HydrophobicContact CD2-CD2 4.23Å; Y32-F40 HydrophobicContact CE1-CB 3.58Å; Y32-F40 HydrophobicContact CE1-CD2 4.29Å; Y32-F40 HydrophobicContact CE1-CG 4.07Å; Y32-F40 HydrophobicContact CE2-CB 4.06Å; Y32-F40 AromaticContact CE2-CD2 3.35Å; Y32-F40 HydrophobicContact CE2-CD2 3.35Å; Y32-F40 HydrophobicContact CE2-CE2 4.08Å; Y32-F40 AromaticContact CE2-CG 3.98Å; Y32-F40 HydrophobicContact CE2-CG 3.98Å; Y32-F40 HydrophobicContact CG-CB 4.48Å; Y32-F40 AromaticContact CZ-CD2 3.38Å; Y32-F40 AromaticContact CZ-CG 3.55Å; Y32-F40 PolarHBondContact N-O 3.37Å; Y32-F40 PolarHBondContact O-N 3.15Å; Y32-F40 VanDerWaalsContact OH-CD2 3.26Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.41Å; Y32-F40 WeakPolarHBondContact OH-CG 2.99Å
33I93.8Very high92.5Very high5 Ų568.7 Ų68.73%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-121.7134168.9-171.1165.5000110.1W16 E38 T39 I51 R53 F60W16-I33 HydrophobicContact CB-CG2 3.88Å; W16-I33 PolarHBondContact N-O 3.48Å; W16-I33 PolarHBondContact O-N 2.8Å; I33-E38 CarbonylContact C-O 3.55Å; I33-E38 VanDerWaalsContact CA-O 3.27Å; I33-E38 WeakPolarHBondContact CA-O 3.49Å; I33-T39 HydrophobicContact CB-CG2 4.11Å; I33-T39 HydrophobicContact CD1-CG2 3.88Å; I33-T39 HydrophobicContact CG1-CG2 3.88Å; I33-I51 HydrophobicContact CB-CG2 3.87Å; I33-I51 HydrophobicContact CG2-CG2 3.9Å; I33-R53 HydrophobicContact CD1-CB 4.08Å; I33-R53 HydrophobicContact CD1-CG 3.82Å; I33-F60 HydrophobicContact CG2-CD2 4.37Å
34T91.3Very high92.3Very high7 Ų767.6 Ų67.64%0.04338%0.381CS..EExtended strand (participates in β ladder)trans-80.6168.5179.167.60000111.8Y14 Y15 Y32 S36 G37 E38 F40 R53Y14-T34 WeakPolarHBondContact O-CA 3.3Å; Y15-T34 HydrophobicContact CD1-CG2 3.92Å; Y15-T34 HydrophobicContact CE1-CG2 4.02Å; Y32-T34 HydrophobicContact CD2-CG2 4.25Å; Y32-T34 HydrophobicContact CE2-CG2 3.81Å; T34-S36 PolarHBondContact O-N 2.94Å; T34-S36 PolarHBondContact OG1-N 2.89Å; T34-S36 PolarHBondContact OG1-OG 3.46Å; T34-G37 PolarHBondContact O-N 2.97Å; T34-G37 PolarHBondContact OG1-N 2.89Å; T34-G37 VanDerWaalsContact OG1-N 3.11Å; T34-E38 HydrophobicContact CG2-CB 4.07Å; T34-E38 PolarHBondContact N-O 3.21Å; T34-E38 PolarHBondContact OG1-N 2.93Å; T34-F40 HydrophobicContact CG2-CE2 4.46Å; T34-R53 PolarHBondContact O-NH1 2.03Å
35H87.9Confident92Very high88 Ų8864.5 Ų64.541%0.40734%0.342SS..THydrogen-bonded Turntrans-60.6-24.6166.862.6-78.1000114T11 G13 Y14 G37 R53T11-H35 WeakPolarHBondContact O-CB 3.41Å; G13-H35 VanDerWaalsContact O-CB 3.26Å; G13-H35 WeakPolarHBondContact O-CB 3.42Å; Y14-H35 PolarHBondContact O-N 3.28Å; H35-G37 VanDerWaalsContact C-N 3.28Å; H35-R53 PolarHBondContact O-NH1 2.88Å; H35-R53 PolarHBondContact O-NH2 2.74Å
36S89.8Confident91.3Very high69 Ų6965.5 Ų65.548%0.48335%0.349SS..THydrogen-bonded Turntrans-78.4-15.6173.357.20000112.3T34 R53T34-S36 PolarHBondContact O-N 2.94Å; T34-S36 PolarHBondContact OG1-N 2.89Å; T34-S36 PolarHBondContact OG1-OG 3.46Å; S36-R53 VanDerWaalsContact C-NH2 3.33Å; S36-R53 PolarHBondContact O-NH2 3.5Å
37G90.8Very high90.7Very high29 Ų2960.9 Ų60.930%0.29932%0.32SS..  trans94.58.9179.700000113.8T34 H35T34-G37 PolarHBondContact O-N 2.97Å; T34-G37 PolarHBondContact OG1-N 2.89Å; T34-G37 VanDerWaalsContact OG1-N 3.11Å; H35-G37 VanDerWaalsContact C-N 3.28Å
38E92.8Very high90.5Very high116 Ų11659.6 Ų59.654%0.54232%0.317SS..  trans-70.6140.3172.3-65178.4158.700109.9I33 T34 F40I33-E38 CarbonylContact C-O 3.55Å; I33-E38 VanDerWaalsContact CA-O 3.27Å; I33-E38 WeakPolarHBondContact CA-O 3.49Å; T34-E38 HydrophobicContact CG2-CB 4.07Å; T34-E38 PolarHBondContact N-O 3.21Å; T34-E38 PolarHBondContact OG1-N 2.93Å; E38-F40 HydrophobicContact CB-CE2 4.02Å
39T95.1Very high90.5Very high53 Ų5358 Ų5833%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-116.2138.3-177.754.10000110.9Y32 I33 Y41 I51Y32-T39 WeakPolarHBondContact O-CA 3.35Å; I33-T39 HydrophobicContact CB-CG2 4.11Å; I33-T39 HydrophobicContact CD1-CG2 3.88Å; I33-T39 HydrophobicContact CG1-CG2 3.88Å; T39-Y41 WeakPolarHBondContact OG1-CE2 2.93Å; T39-Y41 PolarHBondContact OG1-OH 2.83Å; T39-I51 HydrophobicContact CG2-CB 4.44Å; T39-I51 WeakPolarHBondContact CG2-O 3.22Å
40F94.3Very high90.6Very high93 Ų9355.1 Ų55.141%0.40830%0.304SS..EExtended strand (participates in β ladder)trans-130.1136.2176.4-68.7-95.6000109G31 Y32 T34 E38G31-F40 CarbonylContact C-O 3.46Å; G31-F40 WeakPolarHBondContact CA-O 3.4Å; Y32-F40 HydrophobicContact CD1-CB 4.07Å; Y32-F40 HydrophobicContact CD2-CB 4.49Å; Y32-F40 HydrophobicContact CD2-CD2 4.23Å; Y32-F40 HydrophobicContact CE1-CB 3.58Å; Y32-F40 HydrophobicContact CE1-CD2 4.29Å; Y32-F40 HydrophobicContact CE1-CG 4.07Å; Y32-F40 HydrophobicContact CE2-CB 4.06Å; Y32-F40 AromaticContact CE2-CD2 3.35Å; Y32-F40 HydrophobicContact CE2-CD2 3.35Å; Y32-F40 HydrophobicContact CE2-CE2 4.08Å; Y32-F40 AromaticContact CE2-CG 3.98Å; Y32-F40 HydrophobicContact CE2-CG 3.98Å; Y32-F40 HydrophobicContact CG-CB 4.48Å; Y32-F40 AromaticContact CZ-CD2 3.38Å; Y32-F40 AromaticContact CZ-CG 3.55Å; Y32-F40 PolarHBondContact N-O 3.37Å; Y32-F40 PolarHBondContact O-N 3.15Å; Y32-F40 VanDerWaalsContact OH-CD2 3.26Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.41Å; Y32-F40 WeakPolarHBondContact OH-CG 2.99Å; T34-F40 HydrophobicContact CG2-CE2 4.46Å; E38-F40 HydrophobicContact CB-CE2 4.02Å
41Y94.4Very high90.7Very high94 Ų9455.3 Ų55.337%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-119147.9-173.4-59.5-82.6000110.1T39 P43 I49 I51T39-Y41 WeakPolarHBondContact OG1-CE2 2.93Å; T39-Y41 PolarHBondContact OG1-OH 2.83Å; Y41-P43 WeakPolarHBondContact O-CD 3.45Å; Y41-I49 HydrophobicContact CD1-CD1 3.93Å; Y41-I49 HydrophobicContact CD1-CG1 3.68Å; Y41-I49 HydrophobicContact CE1-CD1 4.38Å; Y41-I49 HydrophobicContact CE1-CG1 3.96Å; Y41-I51 HydrophobicContact CD1-CD1 4.46Å; Y41-I51 HydrophobicContact CE1-CB 4.41Å; Y41-I51 HydrophobicContact CE1-CD1 4.23Å; Y41-I51 HydrophobicContact CE1-CG1 4.08Å; Y41-I51 PolarHBondContact OH-N 3.22Å
42N93.1Very high90.7Very high26 Ų2658.3 Ų58.314%0.13932%0.323CS..  trans-71.6118.8171.7-177-13000110.1W29 M30 S44 L45W29-N42 HydrophobicContact CD2-CB 4.25Å; W29-N42 HydrophobicContact CE3-CB 3.44Å; W29-N42 VanDerWaalsContact CE3-CB 3.44Å; W29-N42 HydrophobicContact CH2-CB 4.21Å; W29-N42 HydrophobicContact CZ3-CB 3.44Å; W29-N42 VanDerWaalsContact CZ3-CB 3.44Å; W29-N42 VanDerWaalsContact O-CB 3.3Å; W29-N42 WeakPolarHBondContact O-CB 3.44Å; W29-N42 PolarHBondContact O-ND2 3.36Å; M30-N42 WeakPolarHBondContact O-CB 3.34Å; M30-N42 PolarHBondContact O-N 3.07Å; N42-S44 PolarHBondContact O-N 3.27Å; N42-S44 WeakPolarHBondContact OD1-CB 3.47Å; N42-S44 PolarHBondContact OD1-N 2.76Å; N42-L45 HydrophobicContact CB-CD1 4.08Å; N42-L45 HydrophobicContact CB-CG 3.96Å; N42-L45 WeakPolarHBondContact O-CB 3.47Å; N42-L45 PolarHBondContact O-N 3.33Å; N42-L45 VanDerWaalsContact O-N 3.15Å
43P90.2Very high90.7Very high123 Ų12359 Ų5980%0.79933%0.325SS*.THydrogen-bonded Turntrans-66.8-16.9-179.328.9-36.3000113.4Y41 L45Y41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-L45 VanDerWaalsContact C-N 3.34Å
44S87.7Confident90.6Very high89 Ų8961.6 Ų61.662%0.62234%0.337SS*.THydrogen-bonded Turntrans-84.9-4.6177.3-56.80000113.8N42 Q46N42-S44 PolarHBondContact O-N 3.27Å; N42-S44 WeakPolarHBondContact OD1-CB 3.47Å; N42-S44 PolarHBondContact OD1-N 2.76Å; S44-Q46 PolarHBondContact O-N 2.87Å
45L86.3Confident90.7Very high26 Ų2664.6 Ų64.614%0.13636%0.356CS..  trans-67.8124.1173.4-76.7171.2000110.4M30 N42 P43 I49M30-L45 HydrophobicContact CB-CD1 4.02Å; M30-L45 HydrophobicContact CE-CD2 4.42Å; M30-L45 HydrophobicContact CG-CD2 4.32Å; M30-L45 WeakPolarHBondContact O-CD1 3.42Å; N42-L45 HydrophobicContact CB-CD1 4.08Å; N42-L45 HydrophobicContact CB-CG 3.96Å; N42-L45 WeakPolarHBondContact O-CB 3.47Å; N42-L45 PolarHBondContact O-N 3.33Å; N42-L45 VanDerWaalsContact O-N 3.15Å; P43-L45 VanDerWaalsContact C-N 3.34Å; L45-I49 HydrophobicContact CD1-CD1 3.53Å; L45-I49 HydrophobicContact CD1-CG1 4.06Å
46Q77.2Confident90.9Very high155 Ų15565.4 Ų65.472%0.72437%0.371SS*.SBendtrans-76.6-32.5175.8-61.2-173.946.800112.1S44S44-Q46 PolarHBondContact O-N 2.87Å
47S80.4Confident91Very high12 Ų1267.7 Ų67.78%0.08437%0.372CS..SBendtrans-95.4132-178.6-62.70000111.3I49 D71S47-I49 PolarHBondContact O-N 3.19Å; S47-D71 PolarHBondContact OG-OD1 3.05Å; S47-D71 PolarHBondContact OG-OD2 3.15Å
48P87.3Confident91Very high70 Ų7067.9 Ų67.946%0.45537%0.367SS..  trans-67.4133.5176.125-30.6000111N65P48-N65 HydrophobicContact CB-CB 4.28Å; P48-N65 HydrophobicContact CG-CB 4.12Å; P48-N65 WeakPolarHBondContact O-CB 3.43Å; P48-N65 PolarHBondContact O-N 2.92Å
49I92.9Very high91Very high19 Ų1964.4 Ų64.410%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-126.3162177.467169.8000110.9M30 Y41 L45 S47 I51 L62 Q63 L64M30-I49 HydrophobicContact CB-CD1 3.91Å; M30-I49 HydrophobicContact CE-CD1 4.05Å; M30-I49 HydrophobicContact CE-CG2 3.8Å; Y41-I49 HydrophobicContact CD1-CD1 3.93Å; Y41-I49 HydrophobicContact CD1-CG1 3.68Å; Y41-I49 HydrophobicContact CE1-CD1 4.38Å; Y41-I49 HydrophobicContact CE1-CG1 3.96Å; L45-I49 HydrophobicContact CD1-CD1 3.53Å; L45-I49 HydrophobicContact CD1-CG1 4.06Å; S47-I49 PolarHBondContact O-N 3.19Å; I49-I51 HydrophobicContact CD1-CD1 4.32Å; I49-I51 HydrophobicContact CD1-CG1 4.43Å; I49-L62 HydrophobicContact CB-CD1 3.83Å; I49-L62 HydrophobicContact CD1-CD1 3.91Å; I49-L62 HydrophobicContact CG1-CD1 4.38Å; I49-L62 HydrophobicContact CG2-CD1 4.21Å; I49-Q63 CarbonylContact C-O 3.42Å; I49-Q63 VanDerWaalsContact CA-O 3.32Å; I49-Q63 WeakPolarHBondContact CA-O 3.33Å; I49-L64 HydrophobicContact CG2-CD2 3.77Å
50S95.2Very high90.9Very high30 Ų3061.9 Ų61.921%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-132.4132.5169.4176.50000109.4Q63S50-Q63 PolarHBondContact N-O 3Å; S50-Q63 PolarHBondContact O-N 3.49Å
51I95.5Very high91Very high4 Ų459.5 Ų59.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-112.3125.8176.8-60.3172.4000107.9G31 I33 T39 Y41 I49 F61 L62G31-I51 VanDerWaalsContact C-CD1 3.47Å; I33-I51 HydrophobicContact CB-CG2 3.87Å; I33-I51 HydrophobicContact CG2-CG2 3.9Å; T39-I51 HydrophobicContact CG2-CB 4.44Å; T39-I51 WeakPolarHBondContact CG2-O 3.22Å; Y41-I51 HydrophobicContact CD1-CD1 4.46Å; Y41-I51 HydrophobicContact CE1-CB 4.41Å; Y41-I51 HydrophobicContact CE1-CD1 4.23Å; Y41-I51 HydrophobicContact CE1-CG1 4.08Å; Y41-I51 PolarHBondContact OH-N 3.22Å; I49-I51 HydrophobicContact CD1-CD1 4.32Å; I49-I51 HydrophobicContact CD1-CG1 4.43Å; I51-F61 WeakPolarHBondContact CA-O 3.35Å; I51-L62 HydrophobicContact CG1-CD1 4.17Å
52T95.1Very high91Very high63 Ų6355.1 Ų55.139%0.38731%0.307SS..EExtended strand (participates in β ladder)trans-136.5168.7-179.364.40000111F60 F61T52-F60 CarbonylContact O-C 3.54Å; T52-F60 WeakPolarHBondContact O-CA 3.46Å; T52-F60 WeakPolarHBondContact O-CB 3.36Å; T52-F61 PolarHBondContact N-O 2.67Å; T52-F61 PolarHBondContact O-N 2.85Å
53R93.3Very high91.1Very high67 Ų6759.3 Ų59.325%0.25333%0.326SS..EExtended strand (participates in β ladder)trans-139.6153.5177.368.4179-175.9171.71112.4I10 I33 T34 H35 S36 Q59 F60I10-R53 HydrophobicContact CD1-CB 3.84Å; I33-R53 HydrophobicContact CD1-CB 4.08Å; I33-R53 HydrophobicContact CD1-CG 3.82Å; T34-R53 PolarHBondContact O-NH1 2.03Å; H35-R53 PolarHBondContact O-NH1 2.88Å; H35-R53 PolarHBondContact O-NH2 2.74Å; S36-R53 VanDerWaalsContact C-NH2 3.33Å; S36-R53 PolarHBondContact O-NH2 3.5Å; R53-Q59 WeakPolarHBondContact CA-O 3.26Å; R53-F60 HydrophobicContact CB-CB 4.13Å
54E93.1Very high91.2Very high61 Ų6155.3 Ų55.329%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-129.296.9172.2-174.9171.7-172.300109.3S56 K57 N58 Q59 F61E54-S56 VanDerWaalsContact C-N 3.29Å; E54-S56 WeakPolarHBondContact CG-OG 3.08Å; E54-S56 PolarHBondContact O-N 2.98Å; E54-K57 VanDerWaalsContact CD-CE 3.47Å; E54-K57 HydrophobicContact CG-CB 4.19Å; E54-K57 HydrophobicContact CG-CD 4.36Å; E54-K57 HydrophobicContact CG-CG 4.05Å; E54-K57 PolarHBondContact O-N 2.86Å; E54-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 WeakPolarHBondContact OE1-CE 3.14Å; E54-K57 IonicContact OE1-NZ 2.85Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; E54-K57 VanDerWaalsContact OE2-CD 3.28Å; E54-K57 WeakPolarHBondContact OE2-CD 3Å; E54-K57 WeakPolarHBondContact OE2-CE 3.46Å; E54-K57 IonicContact OE2-NZ 3.22Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å; E54-N58 PolarHBondContact O-N 3.14Å; E54-N58 VanDerWaalsContact O-N 3.16Å; E54-Q59 PolarHBondContact N-O 2.96Å; E54-Q59 PolarHBondContact O-N 2.74Å; E54-F61 HydrophobicContact CB-CE2 3.62Å; E54-F61 HydrophobicContact CB-CZ 4.13Å
55T91.6Very high91.1Very high70 Ų7054.8 Ų54.843%0.42929%0.288SS..G310 helixtrans-61-36.2-174.6-52.40000112.9I10 T11 K57 N58I10-T55 HydrophobicContact CG2-CG2 4.01Å; T11-T55 HydrophobicContact CG2-CG2 3.74Å; T55-K57 PolarHBondContact O-N 2.8Å; T55-N58 PolarHBondContact O-N 2.88Å; T55-N58 VanDerWaalsContact O-N 3.16Å
56S91.9Very high90.9Very high104 Ų10456.6 Ų56.673%0.72730%0.303SS*.G310 helixtrans-62.4-27.1178.754.40000113.4E54E54-S56 VanDerWaalsContact C-N 3.29Å; E54-S56 WeakPolarHBondContact CG-OG 3.08Å; E54-S56 PolarHBondContact O-N 2.98Å
57K92.9Very high91.2Very high117 Ų11754.5 Ų54.551%0.50930%0.3SS..G310 helixtrans-103.1-0.2178.8-63.7-169.4-168.7137.60113.5E54 T55 Q59E54-K57 VanDerWaalsContact CD-CE 3.47Å; E54-K57 HydrophobicContact CG-CB 4.19Å; E54-K57 HydrophobicContact CG-CD 4.36Å; E54-K57 HydrophobicContact CG-CG 4.05Å; E54-K57 PolarHBondContact O-N 2.86Å; E54-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 WeakPolarHBondContact OE1-CE 3.14Å; E54-K57 IonicContact OE1-NZ 2.85Å; E54-K57 PolarHBondContact OE1-NZ 2.97Å; E54-K57 VanDerWaalsContact OE2-CD 3.28Å; E54-K57 WeakPolarHBondContact OE2-CD 3Å; E54-K57 WeakPolarHBondContact OE2-CE 3.46Å; E54-K57 IonicContact OE2-NZ 3.22Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å; T55-K57 PolarHBondContact O-N 2.8Å; K57-Q59 HydrophobicContact CB-CB 4.27Å; K57-Q59 HydrophobicContact CB-CG 4.26Å; K57-Q59 WeakPolarHBondContact O-CG 3.04Å; K57-Q59 PolarHBondContact O-N 2.87Å
58N91.4Very high91.3Very high33 Ų3356.8 Ų56.818%0.17631%0.314CS..THydrogen-bonded Turntrans55.140.3-174.6-147.839.4000113.5I5 F8 P9 I10 E54 T55I5-N58 PolarHBondContact N-O 2.92Å; I5-N58 PolarHBondContact O-ND2 3.47Å; F8-N58 PolarHBondContact O-ND2 2.81Å; P9-N58 WeakPolarHBondContact CA-OD1 3.37Å; I10-N58 WeakPolarHBondContact CB-OD1 3.28Å; I10-N58 PolarHBondContact N-OD1 2.8Å; E54-N58 PolarHBondContact O-N 3.14Å; E54-N58 VanDerWaalsContact O-N 3.16Å; T55-N58 PolarHBondContact O-N 2.88Å; T55-N58 VanDerWaalsContact O-N 3.16Å
59Q93.1Very high91Very high44 Ų4459.4 Ų59.421%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-127.1148.5-171.8-80.4172.1-10.200111.8T2 C3 S4 I10 R53 E54 K57 F61T2-Q59 HydrophobicContact CG2-CB 4.3Å; T2-Q59 HydrophobicContact CG2-CG 4.02Å; C3-Q59 VanDerWaalsContact O-CA 3.31Å; C3-Q59 WeakPolarHBondContact O-CA 3.39Å; S4-Q59 WeakPolarHBondContact OG-CG 3.38Å; S4-Q59 PolarHBondContact OG-NE2 2.99Å; I10-Q59 WeakPolarHBondContact CD1-O 3.46Å; R53-Q59 WeakPolarHBondContact CA-O 3.26Å; E54-Q59 PolarHBondContact N-O 2.96Å; E54-Q59 PolarHBondContact O-N 2.74Å; K57-Q59 HydrophobicContact CB-CB 4.27Å; K57-Q59 HydrophobicContact CB-CG 4.26Å; K57-Q59 WeakPolarHBondContact O-CG 3.04Å; K57-Q59 PolarHBondContact O-N 2.87Å; Q59-F61 HydrophobicContact CB-CE1 4.32Å; Q59-F61 HydrophobicContact CB-CE2 4.07Å; Q59-F61 HydrophobicContact CB-CZ 3.7Å
60F93Very high90.2Very high0 Ų063.6 Ų63.60%035%0.348CS..EExtended strand (participates in β ladder)trans-130.1154.1164.576.5-73.4000111.8C3 I5 I10 W16 W18 I33 T52 R53 C77C3-F60 HydrophobicContact CB-CD1 3.74Å; C3-F60 HydrophobicContact CB-CE1 3.4Å; C3-F60 VanDerWaalsContact CB-CE1 3.4Å; C3-F60 HydrophobicContact CB-CG 4.49Å; C3-F60 HydrophobicContact CB-CZ 3.9Å; C3-F60 PolarHBondContact N-O 3.42Å; C3-F60 PolarHBondContact O-N 2.93Å; C3-F60 WeakPolarHBondContact SG-CE1 3.5Å; I5-F60 HydrophobicContact CD1-CD1 4.01Å; I5-F60 HydrophobicContact CD1-CE1 4.33Å; I5-F60 HydrophobicContact CG1-CD1 4.43Å; I5-F60 HydrophobicContact CG1-CE1 4.44Å; I10-F60 HydrophobicContact CD1-CB 3.77Å; I10-F60 HydrophobicContact CD1-CD1 4.44Å; W16-F60 HydrophobicContact CB-CD1 4.26Å; W16-F60 HydrophobicContact CB-CD2 4.09Å; W16-F60 HydrophobicContact CB-CE1 4.06Å; W16-F60 HydrophobicContact CB-CE2 3.89Å; W16-F60 HydrophobicContact CB-CG 4.26Å; W16-F60 HydrophobicContact CB-CZ 3.86Å; W16-F60 HydrophobicContact CD2-CE1 4.4Å; W16-F60 HydrophobicContact CE3-CE1 4.01Å; W16-F60 HydrophobicContact CE3-CZ 4.47Å; W16-F60 HydrophobicContact CG-CE1 4.45Å; W18-F60 AromaticContact CD1-CD2 3.88Å; W18-F60 AromaticContact CD1-CE2 3.53Å; W18-F60 HydrophobicContact CD2-CE2 4.17Å; W18-F60 AromaticContact CE2-CD2 3.85Å; W18-F60 AromaticContact CE2-CE2 3.53Å; W18-F60 HydrophobicContact CG-CE2 4.17Å; W18-F60 HydrophobicContact CZ2-CD2 4.25Å; W18-F60 HydrophobicContact CZ2-CE2 4.08Å; W18-F60 AromaticContact NE1-CD2 3.17Å; W18-F60 AromaticContact NE1-CE2 3.1Å; I33-F60 HydrophobicContact CG2-CD2 4.37Å; T52-F60 CarbonylContact O-C 3.54Å; T52-F60 WeakPolarHBondContact O-CA 3.46Å; T52-F60 WeakPolarHBondContact O-CB 3.36Å; R53-F60 HydrophobicContact CB-CB 4.13Å; F60-C77 HydrophobicContact CE1-CB 3.89Å; F60-C77 HydrophobicContact CE2-CB 4.3Å; F60-C77 HydrophobicContact CZ-CB 3.39Å
61F95.4Very high89.4Confident42 Ų4262.5 Ų62.518%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-127.9144-164.7-50.3-88.9000110.4L1 T2 I51 T52 E54 Q59L1-F61 CarbonylContact O-C 3.55Å; L1-F61 VanDerWaalsContact O-CA 3.23Å; L1-F61 WeakPolarHBondContact O-CA 3.24Å; T2-F61 HydrophobicContact CG2-CD1 3.84Å; T2-F61 HydrophobicContact CG2-CE1 3.51Å; T2-F61 HydrophobicContact CG2-CZ 4.39Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.39Å; I51-F61 WeakPolarHBondContact CA-O 3.35Å; T52-F61 PolarHBondContact N-O 2.67Å; T52-F61 PolarHBondContact O-N 2.85Å; E54-F61 HydrophobicContact CB-CE2 3.62Å; E54-F61 HydrophobicContact CB-CZ 4.13Å; Q59-F61 HydrophobicContact CB-CE1 4.32Å; Q59-F61 HydrophobicContact CB-CE2 4.07Å; Q59-F61 HydrophobicContact CB-CZ 3.7Å
62L95.5Very high89Confident2 Ų267 Ų671%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-115.7118.2165.8169.865.8000108.2L1 W18 M30 I49 I51 L64 Y75L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 3.93Å; L1-L62 HydrophobicContact CD1-CG 4.47Å; L1-L62 PolarHBondContact N-O 2.86Å; L1-L62 PolarHBondContact O-N 3.07Å; W18-L62 HydrophobicContact CB-CD2 4.16Å; W18-L62 HydrophobicContact CD2-CB 3.55Å; W18-L62 HydrophobicContact CD2-CD2 3.8Å; W18-L62 HydrophobicContact CD2-CG 4.27Å; W18-L62 HydrophobicContact CE3-CB 4.16Å; W18-L62 HydrophobicContact CE3-CD2 3.86Å; W18-L62 HydrophobicContact CG-CB 3.84Å; W18-L62 HydrophobicContact CG-CD1 4.48Å; W18-L62 HydrophobicContact CG-CD2 3.93Å; W18-L62 HydrophobicContact CG-CG 4.32Å; W18-L62 HydrophobicContact CH2-CB 4.37Å; W18-L62 HydrophobicContact CZ2-CB 3.79Å; M30-L62 HydrophobicContact CE-CD1 4.28Å; M30-L62 HydrophobicContact CE-CD2 3.91Å; M30-L62 HydrophobicContact SD-CD2 3.85Å; I49-L62 HydrophobicContact CB-CD1 3.83Å; I49-L62 HydrophobicContact CD1-CD1 3.91Å; I49-L62 HydrophobicContact CG1-CD1 4.38Å; I49-L62 HydrophobicContact CG2-CD1 4.21Å; I51-L62 HydrophobicContact CG1-CD1 4.17Å; L62-L64 HydrophobicContact CD1-CD2 4.3Å; L62-L64 HydrophobicContact CD2-CD2 4.15Å; L62-L64 HydrophobicContact CG-CD2 4.11Å; L62-Y75 HydrophobicContact CD2-CD1 3.78Å; L62-Y75 HydrophobicContact CD2-CE1 4.06Å
63Q94.6Very high88.9Confident115 Ų11565 Ų6554%0.53736%0.357SS..EExtended strand (participates in β ladder)trans-101.3122.8170.5-176.9177.1-1.500108.9I49 S50I49-Q63 CarbonylContact C-O 3.42Å; I49-Q63 VanDerWaalsContact CA-O 3.32Å; I49-Q63 WeakPolarHBondContact CA-O 3.33Å; S50-Q63 PolarHBondContact N-O 3Å; S50-Q63 PolarHBondContact O-N 3.49Å
64L91.5Very high88.9Confident39 Ų3967.3 Ų67.320%0.20437%0.372CS..EExtended strand (participates in β ladder)trans-90114.9170.7-56.3174.7000106.9M30 I49 L62 V67 Y75M30-L64 HydrophobicContact CE-CD2 4.01Å; I49-L64 HydrophobicContact CG2-CD2 3.77Å; L62-L64 HydrophobicContact CD1-CD2 4.3Å; L62-L64 HydrophobicContact CD2-CD2 4.15Å; L62-L64 HydrophobicContact CG-CD2 4.11Å; L64-V67 HydrophobicContact CB-CG2 3.97Å; L64-V67 HydrophobicContact CD1-CG2 4.4Å; L64-Y75 HydrophobicContact CD1-CE1 4.22Å; L64-Y75 HydrophobicContact CD1-CE2 4.42Å; L64-Y75 WeakPolarHBondContact CD1-OH 3.32Å; L64-Y75 HydrophobicContact CD2-CE1 4.15Å
65N86Confident88.9Confident77 Ų7766.5 Ų66.541%0.41237%0.367SS..SBendtrans-82.3-19.5-173-64.6-30.9000112.5P48P48-N65 HydrophobicContact CB-CB 4.28Å; P48-N65 HydrophobicContact CG-CB 4.12Å; P48-N65 WeakPolarHBondContact O-CB 3.43Å; P48-N65 PolarHBondContact O-N 2.92Å
66S83Confident89Confident64 Ų6465.9 Ų65.945%0.44836%0.357SS..SBendtrans-146.8109.8175-62.60000107.6
67V82.1Confident89Confident111 Ų11161.4 Ų61.467%0.67333%0.326SS*.  trans-90.2116.3-179.4-177.80000108.4L64 D71L64-V67 HydrophobicContact CB-CG2 3.97Å; L64-V67 HydrophobicContact CD1-CG2 4.4Å; V67-D71 HydrophobicContact CG1-CB 4.42Å
68T83.1Confident88.9Confident60 Ų6056.1 Ų56.137%0.36830%0.304SS..  trans-110.8172.117567.40000110.7E70 D71T68-E70 PolarHBondContact O-N 2.74Å; T68-E70 PolarHBondContact OG1-N 2.88Å; T68-D71 PolarHBondContact N-OD2 2.78Å; T68-D71 WeakPolarHBondContact O-CB 3.38Å; T68-D71 PolarHBondContact O-N 2.73Å; T68-D71 PolarHBondContact OG1-OD2 3.02Å
69T79.8Confident88.6Confident125 Ų12554.7 Ų54.777%0.76730%0.297SS*.G310 helixtrans-59.6-29.3172.543.90000112.3D71 T72T69-D71 PolarHBondContact O-N 3.47Å; T69-T72 WeakPolarHBondContact O-CB 3.33Å; T69-T72 PolarHBondContact O-N 3.23Å; T69-T72 VanDerWaalsContact O-N 3.15Å; T69-T72 PolarHBondContact O-OG1 3.2Å
70E76.8Confident87.8Confident108 Ų10853.5 Ų53.551%0.50529%0.292SS..G310 helixtrans-68.1-21.5176.6-58-170.7173.600113.2T68 T72T68-E70 PolarHBondContact O-N 2.74Å; T68-E70 PolarHBondContact OG1-N 2.88Å; E70-T72 PolarHBondContact O-N 3.11Å
71D78.3Confident86.7Confident7 Ų754.4 Ų54.44%0.03730%0.298CS..G310 helixtrans-82.53.4175.4-60.3-58.5000112.4R20 S47 V67 T68 T69 A73 Y75R20-D71 IonicContact NH1-OD1 2.89Å; R20-D71 PolarHBondContact NH1-OD1 2.82Å; S47-D71 PolarHBondContact OG-OD1 3.05Å; S47-D71 PolarHBondContact OG-OD2 3.15Å; V67-D71 HydrophobicContact CG1-CB 4.42Å; T68-D71 PolarHBondContact N-OD2 2.78Å; T68-D71 WeakPolarHBondContact O-CB 3.38Å; T68-D71 PolarHBondContact O-N 2.73Å; T68-D71 PolarHBondContact OG1-OD2 3.02Å; T69-D71 PolarHBondContact O-N 3.47Å; D71-A73 PolarHBondContact O-N 2.74Å; D71-Y75 PolarHBondContact O-OH 2.97Å
72T88.4Confident85.1Confident98 Ų9858 Ų5860%0.60132%0.319SS*.  trans-72.294.6170.6-52.10000109.5P23 T69 E70P23-T72 WeakPolarHBondContact CD-O 3.31Å; T69-T72 WeakPolarHBondContact O-CB 3.33Å; T69-T72 PolarHBondContact O-N 3.23Å; T69-T72 VanDerWaalsContact O-N 3.15Å; T69-T72 PolarHBondContact O-OG1 3.2Å; E70-T72 PolarHBondContact O-N 3.11Å
73A91.6Very high83.3Confident20 Ų2061 Ų6117%0.16535%0.351CS..SBendtrans-148.5162.5-176.200000111.1R20 Q21 D71 Y75R20-A73 HydrophobicContact CB-CB 4.03Å; Q21-A73 WeakPolarHBondContact O-CA 3.28Å; Q21-A73 WeakPolarHBondContact O-CB 3.21Å; D71-A73 PolarHBondContact O-N 2.74Å; A73-Y75 HydrophobicContact CB-CE2 4.22Å; A73-Y75 VanDerWaalsContact O-CD2 3.28Å; A73-Y75 WeakPolarHBondContact O-CD2 3.41Å; A73-Y75 WeakPolarHBondContact O-CE2 3.34Å
74M93.7Very high81.6Confident116 Ų11662.9 Ų62.957%0.57135%0.354SS*.EExtended strand (participates in β ladder)trans-77136.4159.9-65.4-54.5-60.600108.8R20 Q21 Y76R20-M74 CarbonylContact C-O 3.6Å; R20-M74 WeakPolarHBondContact CA-O 3.23Å; Q21-M74 PolarHBondContact N-O 3.49Å; Q21-M74 PolarHBondContact O-N 3.01Å; M74-Y76 HydrophobicContact CB-CE1 4.38Å; M74-Y76 HydrophobicContact CB-CE2 3.72Å; M74-Y76 WeakPolarHBondContact CB-OH 3.39Å
75Y93.8Very high80.2Confident45 Ų4569 Ų6918%0.17637%0.374CS..EExtended strand (participates in β ladder)trans-113.7130.9178.5-68.2-93.4000109.1L1 I19 R20 M30 L62 L64 D71 A73L1-Y75 HydrophobicContact CD1-CD1 3.64Å; L1-Y75 HydrophobicContact CD1-CD2 3.78Å; L1-Y75 HydrophobicContact CD1-CE1 4.17Å; L1-Y75 HydrophobicContact CD1-CE2 4.3Å; L1-Y75 HydrophobicContact CD1-CG 3.41Å; L1-Y75 VanDerWaalsContact CD1-CG 3.41Å; I19-Y75 CarbonylContact O-C 3.58Å; I19-Y75 WeakPolarHBondContact O-CA 3.26Å; R20-Y75 HydrophobicContact CB-CD1 3.91Å; R20-Y75 HydrophobicContact CB-CE1 3.9Å; M30-Y75 HydrophobicContact CE-CE1 3.96Å; M30-Y75 HydrophobicContact SD-CD1 3.8Å; M30-Y75 HydrophobicContact SD-CE1 3.68Å; L62-Y75 HydrophobicContact CD2-CD1 3.78Å; L62-Y75 HydrophobicContact CD2-CE1 4.06Å; L64-Y75 HydrophobicContact CD1-CE1 4.22Å; L64-Y75 HydrophobicContact CD1-CE2 4.42Å; L64-Y75 WeakPolarHBondContact CD1-OH 3.32Å; L64-Y75 HydrophobicContact CD2-CE1 4.15Å; D71-Y75 PolarHBondContact O-OH 2.97Å; A73-Y75 HydrophobicContact CB-CE2 4.22Å; A73-Y75 VanDerWaalsContact O-CD2 3.28Å; A73-Y75 WeakPolarHBondContact O-CD2 3.41Å; A73-Y75 WeakPolarHBondContact O-CE2 3.34Å
76Y93.1Very high79.1Confident57 Ų5770.3 Ų70.322%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-122.9141.7-178.3-51.9-81.4000109.3I19 Q21 L27 M74I19-Y76 PolarHBondContact N-O 2.9Å; I19-Y76 PolarHBondContact O-N 3.27Å; Q21-Y76 HydrophobicContact CB-CE2 3.81Å; Q21-Y76 PolarHBondContact OE1-OH 2.98Å; L27-Y76 HydrophobicContact CD2-CD2 3.93Å; L27-Y76 HydrophobicContact CD2-CE2 3.85Å; M74-Y76 HydrophobicContact CB-CE1 4.38Å; M74-Y76 HydrophobicContact CB-CE2 3.72Å; M74-Y76 WeakPolarHBondContact CB-OH 3.39Å
77C92.3Very high77.8Confident10 Ų1073.7 Ų73.77%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-102.1149.8164.448.10000110.7C3 I17 W18 F60 D88C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.27Å; C3-C77 WeakPolarHBondContact SG-CB 3.39Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.39Å; I17-C77 WeakPolarHBondContact O-CA 3.36Å; W18-C77 HydrophobicContact CE3-CB 4.43Å; W18-C77 HydrophobicContact CH2-CB 4.32Å; W18-C77 HydrophobicContact CZ3-CB 4.23Å; F60-C77 HydrophobicContact CE1-CB 3.89Å; F60-C77 HydrophobicContact CE2-CB 4.3Å; F60-C77 HydrophobicContact CZ-CB 3.39Å; C77-D88 PolarHBondContact O-N 2.75Å; C77-D88 PolarHBondContact SG-O 2.89Å
78A89.5Confident76.5Confident6 Ų670.5 Ų70.55%0.0536%0.36CS..EExtended strand (participates in β ladder)trans-144.5150.5174.200000110.2W16 I17 I19 Y86 F87W16-A78 CarbonylContact C-O 3.46Å; W16-A78 WeakPolarHBondContact CA-O 3.49Å; I17-A78 HydrophobicContact CB-CB 4.47Å; I17-A78 PolarHBondContact N-O 3.16Å; I17-A78 PolarHBondContact O-N 3.16Å; I19-A78 HydrophobicContact CD1-CB 4.49Å; A78-Y86 CarbonylContact C-O 3.57Å; A78-Y86 VanDerWaalsContact CA-O 3.27Å; A78-Y86 WeakPolarHBondContact CA-O 3.44Å; A78-Y86 WeakPolarHBondContact CB-O 3.38Å; A78-F87 HydrophobicContact CB-CD1 4.27Å
79G86.1Confident74.8Confident2 Ų276 Ų762%0.02139%0.394CS..EExtended strand (participates in β ladder)trans-117.9145.9173.800000111.4Y86G79-Y86 PolarHBondContact N-O 3.37Å; G79-Y86 PolarHBondContact O-N 3.24Å
80D77.1Confident74.6Confident19 Ų1973.6 Ų73.610%0.10238%0.375CS..EExtended strand (participates in β ladder)trans-116.8121.9166.4-176.519.2000109.4G13 Y14 Y15 W85G13-D80 CarbonylContact C-O 3.44Å; G13-D80 WeakPolarHBondContact CA-O 3.45Å; Y14-D80 PolarHBondContact N-O 3.25Å; Y15-D80 HydrophobicContact CD2-CB 4.33Å; Y15-D80 PolarHBondContact N-O 3.14Å; Y15-D80 PolarHBondContact O-N 3.35Å; D80-W85 HydrophobicContact CB-CD2 4.43Å; D80-W85 HydrophobicContact CB-CE3 3.72Å; D80-W85 HydrophobicContact CB-CH2 4.06Å; D80-W85 HydrophobicContact CB-CZ3 3.51Å
81S69.4Low74.5Confident20 Ų2071.8 Ų71.814%0.1437%0.368CS..EExtended strand (participates in β ladder)trans-132.6128.1174.368.90000109.8G83 Y84 Y86S81-G83 PolarHBondContact O-N 3.24Å; S81-Y84 PolarHBondContact N-O 2.69Å; S81-Y84 VanDerWaalsContact N-O 3.15Å; S81-Y84 PolarHBondContact O-N 2.83Å; S81-Y86 VanDerWaalsContact OG-CE2 3.28Å; S81-Y86 WeakPolarHBondContact OG-CE2 3.28Å
82D62.3Low74.3Confident117 Ų11775.4 Ų75.463%0.62639%0.387SS*.THydrogen-bonded Turntrans42.142.9169.9-69.9-11.4000115.1Y14Y14-D82 WeakPolarHBondContact CE2-OD1 3.45Å; Y14-D82 PolarHBondContact OH-OD1 3.32Å; Y14-D82 VanDerWaalsContact OH-OD1 3.14Å
83G57.8Low73.4Confident65 Ų6574.1 Ų74.167%0.6737%0.374SS*.THydrogen-bonded Turntrans89.210.717500000115.8S81S81-G83 PolarHBondContact O-N 3.24Å
84Y58.7Low72.3Confident155 Ų15577.4 Ų77.461%0.60839%0.387SS*.EExtended strand (participates in β ladder)trans-122.6125.7177.4-63.6-81.7000111.8S81 Y86S81-Y84 PolarHBondContact N-O 2.69Å; S81-Y84 VanDerWaalsContact N-O 3.15Å; S81-Y84 PolarHBondContact O-N 2.83Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.07Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.39Å
85W60.7Low70.9Confident167 Ų16774.9 Ų74.963%0.63338%0.375SS*.EExtended strand (participates in β ladder)trans-85.6122.2171.7-60.6100.2000110.5I17 D80I17-W85 HydrophobicContact CD1-CE3 4.44Å; I17-W85 HydrophobicContact CD1-CH2 4.33Å; I17-W85 HydrophobicContact CD1-CZ3 3.55Å; D80-W85 HydrophobicContact CB-CD2 4.43Å; D80-W85 HydrophobicContact CB-CE3 3.72Å; D80-W85 HydrophobicContact CB-CH2 4.06Å; D80-W85 HydrophobicContact CB-CZ3 3.51Å
86Y63.8Low69.2Low104 Ų10477 Ų7741%0.40839%0.389SS..EExtended strand (participates in β ladder)trans-111.5126.7172.4-57.8-87.8000109.4A78 G79 S81 Y84A78-Y86 CarbonylContact C-O 3.57Å; A78-Y86 VanDerWaalsContact CA-O 3.27Å; A78-Y86 WeakPolarHBondContact CA-O 3.44Å; A78-Y86 WeakPolarHBondContact CB-O 3.38Å; G79-Y86 PolarHBondContact N-O 3.37Å; G79-Y86 PolarHBondContact O-N 3.24Å; S81-Y86 VanDerWaalsContact OG-CE2 3.28Å; S81-Y86 WeakPolarHBondContact OG-CE2 3.28Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.07Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.39Å
87F56.3Low67.4Low136 Ų13678.5 Ų78.560%0.59640%0.402SS*.EExtended strand (participates in β ladder)trans-89.9104.7164.3-67.6-83.3000107.2I19 A78 V89I19-F87 HydrophobicContact CD1-CE1 4.42Å; A78-F87 HydrophobicContact CB-CD1 4.27Å; F87-V89 PolarHBondContact O-N 2.85Å
88D54.8Low65.3Low44 Ų4484.3 Ų84.324%0.23543%0.43CS..EExtended strand (participates in β ladder)trans-82.7107.5163.6-88.5-37.9000106.3C77C77-D88 PolarHBondContact O-N 2.75Å; C77-D88 PolarHBondContact SG-O 2.89Å
89V47.3Very low63.1Low176 Ų17691.4 Ų91.4100%1.06746%0.464SS*.  trans-84.70176.5-172.70000109.9F87F87-V89 PolarHBondContact O-N 2.85Å

Retrieved 89 of 89 residues in 98.2 ms (Link to these results)

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