X5J5J9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5J9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 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
1P55.3Low78.9Confident125 Ų12570.8 Ų70.881%0.81246%0.456SS*.  0129.70-2.322.8000109.6T101 S102P1-T101 HydrophobicContact CB-CG2 3.38Å; P1-T101 HydrophobicContact CG-CG2 3.38Å; P1-S102 WeakPolarHBondContact CB-O 3.38Å
2G66.3Low80.2Confident46 Ų4665.6 Ų65.647%0.47442%0.421SS..  trans-121.2176.1-157.300000114.6V4G2-V4 WeakPolarHBondContact O-CG2 3.47Å
3L69.5Low81.4Confident129 Ų12965.6 Ų65.668%0.67542%0.42SS*.EExtended strand (participates in β ladder)trans-63.5126.1171.2-16568.7000109.5T104 S106L3-T104 HydrophobicContact CD1-CG2 3.95Å; L3-S106 WeakPolarHBondContact CD1-OG 3.4Å
4V75.6Confident82.3Confident13 Ų1361.7 Ų61.78%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-122.7137.6179.8-168.50000109.5G2 Q8 L10 L77 T104 V105 S106G2-V4 WeakPolarHBondContact O-CG2 3.47Å; V4-Q8 HydrophobicContact CG1-CB 3.73Å; V4-Q8 VanDerWaalsContact CG1-OE1 3.3Å; V4-L10 HydrophobicContact CG2-CD1 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.3Å; V4-L77 HydrophobicContact CB-CD1 4.03Å; V4-L77 HydrophobicContact CG1-CD1 3.53Å; V4-T104 PolarHBondContact N-O 2.95Å; V4-V105 WeakPolarHBondContact O-CA 3.33Å; V4-S106 PolarHBondContact O-N 2.59Å
5A79.7Confident83.1Confident41 Ų4164 Ų6434%0.33941%0.408SS..  trans-76.5152.917600000110.9Q8A5-Q8 HydrophobicContact CB-CG 4.26Å; A5-Q8 WeakPolarHBondContact O-CB 3.44Å; A5-Q8 PolarHBondContact O-N 3.29Å
6P77.2Confident83.4Confident49 Ų4960.9 Ų60.932%0.31839%0.388SS..THydrogen-bonded Turntrans-55.3154173.5-24.133.6000112.4Q8 L77 V105 S106P6-Q8 PolarHBondContact O-N 2.99Å; P6-Q8 VanDerWaalsContact O-N 3.07Å; P6-L77 WeakPolarHBondContact CA-O 3.4Å; P6-V105 HydrophobicContact CG-CG1 4.26Å; P6-S106 WeakPolarHBondContact CD-O 3.24Å
7S80.8Confident83.7Confident99 Ų9963.6 Ų63.669%0.69241%0.409SS*.THydrogen-bonded Turntrans67.6-5.9-178-53.70000116L77S7-L77 PolarHBondContact N-O 3.09Å
8Q86.4Confident83.7Confident106 Ų10665.1 Ų65.150%0.49544%0.438SS..  trans-75.7165.1171.1-64.2-171.1-23.800111.4V4 A5 P6 S76 L77V4-Q8 HydrophobicContact CG1-CB 3.73Å; V4-Q8 VanDerWaalsContact CG1-OE1 3.3Å; A5-Q8 HydrophobicContact CB-CG 4.26Å; A5-Q8 WeakPolarHBondContact O-CB 3.44Å; A5-Q8 PolarHBondContact O-N 3.29Å; P6-Q8 PolarHBondContact O-N 2.99Å; P6-Q8 VanDerWaalsContact O-N 3.07Å; Q8-S76 PolarHBondContact O-N 3.23Å; Q8-L77 WeakPolarHBondContact O-CG 3.38Å; Q8-L77 PolarHBondContact O-N 2.86Å
9S90.4Very high83.7Confident68 Ų6864.1 Ų64.148%0.47643%0.426SS..  trans-106.1140.8172.2-55.30000109.9M74 N75S9-M74 CarbonylContact C-O 3.55Å; S9-M74 WeakPolarHBondContact CA-O 3.2Å; S9-N75 PolarHBondContact OG-OD1 2.79Å
10L91.8Very high83.9Confident39 Ų3963.6 Ų63.620%0.20442%0.423CS..EExtended strand (participates in β ladder)trans-124.5143.6175177.466.9000109.5V4 I12 K73 M74 L77 V103V4-L10 HydrophobicContact CG2-CD1 4.32Å; V4-L10 HydrophobicContact CG2-CD2 4.3Å; L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CG1 4.31Å; L10-K73 CarbonylContact O-C 3.37Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L10-M74 HydrophobicContact CD2-CE 4.02Å; L10-M74 PolarHBondContact N-O 2.82Å; L10-M74 PolarHBondContact O-N 3Å; L10-L77 HydrophobicContact CB-CD1 3.69Å; L10-V103 HydrophobicContact CD2-CB 4.3Å; L10-V103 HydrophobicContact CD2-CG1 3.62Å; L10-V103 HydrophobicContact CD2-CG2 3.62Å
11S94.4Very high84.1Confident64 Ų6460.7 Ų60.745%0.44840%0.404SS..EExtended strand (participates in β ladder)trans-116.7121.8169.4-171.20000109L72S11-L72 CarbonylContact C-O 3.5Å; S11-L72 WeakPolarHBondContact CA-O 3.23Å
12I94.8Very high85.8Confident8 Ų858.4 Ų58.44%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-98.1135.2173.1-53.5177.4000108L10 W28 F71 L72 M74 Y85 T101 V103L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CG1 4.31Å; I12-W28 HydrophobicContact CB-CH2 4.12Å; I12-W28 HydrophobicContact CB-CZ3 4.22Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; I12-F71 CarbonylContact O-C 3.59Å; I12-F71 VanDerWaalsContact O-CA 3.29Å; I12-F71 WeakPolarHBondContact O-CA 3.32Å; I12-L72 HydrophobicContact CB-CB 4.5Å; I12-L72 PolarHBondContact N-O 3Å; I12-L72 PolarHBondContact O-N 2.89Å; I12-M74 HydrophobicContact CD1-CE 3.59Å; I12-M74 HydrophobicContact CG1-CE 4.1Å; I12-Y85 HydrophobicContact CD1-CD1 3.73Å; I12-Y85 HydrophobicContact CD1-CD2 3.9Å; I12-Y85 HydrophobicContact CD1-CE1 4.37Å; I12-Y85 HydrophobicContact CD1-CG 3.44Å; I12-Y85 VanDerWaalsContact CD1-CG 3.44Å; I12-T101 HydrophobicContact CD1-CG2 4.4Å; I12-T101 HydrophobicContact CG2-CG2 3.91Å; I12-V103 HydrophobicContact CD1-CG2 3.78Å; I12-V103 HydrophobicContact CG1-CG2 4.44Å
13T95.8Very high86.8Confident66 Ų6660.1 Ų60.141%0.40539%0.392SS..EExtended strand (participates in β ladder)trans-108.7131.6177.8-54.50000109.9Q69 F71T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.95Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.58Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.2Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.36Å
14C94.4Very high87.6Confident11 Ų1157.2 Ų57.27%0.07437%0.373CS..EExtended strand (participates in β ladder)trans-111.8118.7166.8174.80000108.9W28 Q69 V70 C87C14-W28 HydrophobicContact CB-CH2 3.62Å; C14-W28 HydrophobicContact CB-CZ2 3.75Å; C14-Q69 CarbonylContact O-C 3.51Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 2.73Å; C14-C87 HydrophobicContact CB-CB 3.44Å; C14-C87 VanDerWaalsContact CB-CB 3.44Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.39Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.72Å
15T93.8Very high88.3Confident96 Ų9657.2 Ų57.259%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-92.3122.6171.1-54.40000108.1Q69T15-Q69 HydrophobicContact CG2-CG 4.37Å; T15-Q69 PolarHBondContact OG1-NE2 2.77Å
16V88.9Confident88.9Confident15 Ų1555.3 Ų55.39%0.09136%0.36CS..  trans-98.9150.7178.4-57.40000110.8F19 L21 V26 S68V16-F19 HydrophobicContact CB-CE1 3.97Å; V16-F19 HydrophobicContact CB-CE2 4.04Å; V16-F19 HydrophobicContact CB-CZ 3.53Å; V16-F19 HydrophobicContact CG1-CE1 4.38Å; V16-F19 HydrophobicContact CG1-CE2 4.23Å; V16-F19 HydrophobicContact CG1-CZ 3.63Å; V16-F19 HydrophobicContact CG2-CE2 3.93Å; V16-F19 HydrophobicContact CG2-CZ 3.97Å; V16-L21 HydrophobicContact CB-CD2 4.49Å; V16-L21 HydrophobicContact CG1-CD2 4.22Å; V16-L21 HydrophobicContact CG2-CD1 4.1Å; V16-L21 HydrophobicContact CG2-CD2 3.51Å; V16-L21 HydrophobicContact CG2-CG 3.61Å; V16-V26 HydrophobicContact CG1-CG2 4.24Å; V16-S68 WeakPolarHBondContact CG2-O 3.16Å; V16-S68 PolarHBondContact N-O 3.22Å; V16-S68 WeakPolarHBondContact O-CB 3.48Å
17S87.7Confident89.8Confident106 Ų10654.3 Ų54.374%0.74135%0.352SS*.  trans-141.5155.8174.962.20000109.9F19S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; S17-F19 PolarHBondContact O-N 3.15Å
18G84.6Confident90.5Very high91 Ų9149.8 Ų49.894%0.93832%0.319SS*.SBendtrans85.1-5.2179.300000115.7
19F83.4Confident91Very high46 Ų4644.9 Ų44.920%0.20230%0.297CS..SBendtrans-152165.4174.363.1-91.6000112.3V16 S17 L21 Y24 V26 S89V16-F19 HydrophobicContact CB-CE1 3.97Å; V16-F19 HydrophobicContact CB-CE2 4.04Å; V16-F19 HydrophobicContact CB-CZ 3.53Å; V16-F19 HydrophobicContact CG1-CE1 4.38Å; V16-F19 HydrophobicContact CG1-CE2 4.23Å; V16-F19 HydrophobicContact CG1-CZ 3.63Å; V16-F19 HydrophobicContact CG2-CE2 3.93Å; V16-F19 HydrophobicContact CG2-CZ 3.97Å; S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; S17-F19 PolarHBondContact O-N 3.15Å; F19-L21 HydrophobicContact CE2-CD2 4.07Å; F19-Y24 HydrophobicContact CB-CD2 3.74Å; F19-Y24 HydrophobicContact CB-CE2 3.93Å; F19-Y24 HydrophobicContact CB-CG 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CD2 3.88Å; F19-Y24 AromaticContact CD2-CG 3.85Å; F19-Y24 HydrophobicContact CD2-CG 3.85Å; F19-Y24 HydrophobicContact CE2-CG 4.48Å; F19-Y24 HydrophobicContact CG-CD2 4.13Å; F19-Y24 HydrophobicContact CG-CG 4.25Å; F19-V26 HydrophobicContact CE2-CG2 4.29Å; F19-V26 HydrophobicContact CZ-CG2 4.38Å; F19-S89 VanDerWaalsContact CZ-OG 3.28Å; F19-S89 WeakPolarHBondContact CZ-OG 3.48Å
20S87.4Confident91.2Very high53 Ų5342.6 Ų42.637%0.37128%0.277SS..  trans-92131.4174.7-178.10000111.9T22 S23 Y24S20-T22 PolarHBondContact O-N 2.92Å; S20-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 PolarHBondContact OG-N 3.31Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; S20-S23 PolarHBondContact O-N 3.42Å; S20-Y24 PolarHBondContact O-N 3.41Å
21L89Confident91.5Very high4 Ų444.4 Ų44.42%0.02129%0.285CS..THydrogen-bonded Turntrans-63.9-10.2172.2-71.8-179.3000114V16 F19 V26 G45 K63 N65 V70V16-L21 HydrophobicContact CB-CD2 4.49Å; V16-L21 HydrophobicContact CG1-CD2 4.22Å; V16-L21 HydrophobicContact CG2-CD1 4.1Å; V16-L21 HydrophobicContact CG2-CD2 3.51Å; V16-L21 HydrophobicContact CG2-CG 3.61Å; F19-L21 HydrophobicContact CE2-CD2 4.07Å; L21-V26 HydrophobicContact CD2-CG2 3.61Å; L21-G45 WeakPolarHBondContact O-CA 3.35Å; L21-K63 HydrophobicContact CB-CD 4.42Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 3.03Å; L21-N65 WeakPolarHBondContact CB-OD1 3.24Å; L21-V70 HydrophobicContact CD1-CG2 3.87Å; L21-V70 HydrophobicContact CD2-CG2 3.59Å; L21-V70 HydrophobicContact CG-CG2 4.42Å
22T89.6Confident91.5Very high77 Ų7742 Ų4247%0.47227%0.268SS..THydrogen-bonded Turntrans-81.3-22.5171.757.60000112.8S20 G45 N65S20-T22 PolarHBondContact O-N 2.92Å; S20-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 PolarHBondContact OG-N 3.31Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; T22-G45 CarbonylContact O-C 3.52Å; T22-G45 VanDerWaalsContact O-CA 3.26Å; T22-G45 WeakPolarHBondContact O-CA 3.44Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.39Å
23S86.7Confident91.4Very high81 Ų8146.7 Ų46.757%0.56630%0.299SS*.THydrogen-bonded Turntrans-103.7-25.1-175.3-55.90000112.9S20S20-S23 PolarHBondContact O-N 3.42Å
24Y86.6Confident91.3Very high69 Ų6948 Ų4827%0.27133%0.325SS..  trans-119.5150.4-174.1-69.7-98.2000112.5F19 S20 G45 N91F19-Y24 HydrophobicContact CB-CD2 3.74Å; F19-Y24 HydrophobicContact CB-CE2 3.93Å; F19-Y24 HydrophobicContact CB-CG 4.31Å; F19-Y24 AromaticContact CD2-CD2 3.88Å; F19-Y24 HydrophobicContact CD2-CD2 3.88Å; F19-Y24 AromaticContact CD2-CG 3.85Å; F19-Y24 HydrophobicContact CD2-CG 3.85Å; F19-Y24 HydrophobicContact CE2-CG 4.48Å; F19-Y24 HydrophobicContact CG-CD2 4.13Å; F19-Y24 HydrophobicContact CG-CG 4.25Å; S20-Y24 PolarHBondContact O-N 3.41Å; Y24-G45 PolarHBondContact O-N 2.8Å; Y24-N91 HydrophobicContact CE1-CB 4.24Å; Y24-N91 WeakPolarHBondContact CE1-ND2 3.26Å; Y24-N91 WeakPolarHBondContact CE1-OD1 3.48Å; Y24-N91 PolarHBondContact OH-ND2 2.79Å
25G90.2Very high91.3Very high12 Ų1254.1 Ų54.112%0.12435%0.351CS..  trans-84.4153.2167.400000112I43 S89G25-I43 CarbonylContact C-O 3.42Å; G25-I43 WeakPolarHBondContact CA-O 3.19Å; G25-S89 WeakPolarHBondContact O-CB 3.47Å; G25-S89 PolarHBondContact O-OG 2.81Å
26V93.9Very high91.3Very high2 Ų252.2 Ų52.21%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-127119.7172.5-179.90000109V16 F19 L21 V42 I43 V70 C87 A88V16-V26 HydrophobicContact CG1-CG2 4.24Å; F19-V26 HydrophobicContact CE2-CG2 4.29Å; F19-V26 HydrophobicContact CZ-CG2 4.38Å; L21-V26 HydrophobicContact CD2-CG2 3.61Å; V26-V42 WeakPolarHBondContact O-CA 3.39Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 3.26Å; V26-I43 PolarHBondContact O-N 2.85Å; V26-V70 HydrophobicContact CB-CG1 4.37Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.27Å; V26-V70 HydrophobicContact CG1-CG1 4.22Å; V26-V70 HydrophobicContact CG1-CG2 4.12Å; V26-V70 HydrophobicContact CG2-CG2 3.88Å; V26-C87 HydrophobicContact CG1-CB 4Å; V26-A88 CarbonylContact C-O 3.56Å; V26-A88 VanDerWaalsContact CA-O 3.32Å; V26-A88 WeakPolarHBondContact CA-O 3.29Å
27D94.9Very high91.6Very high28 Ų2856.2 Ų56.215%0.1537%0.37CS..EExtended strand (participates in β ladder)trans-88.6149.3175.4-70.9-84.7000111W39 G41 V42 C87 A88 M94D27-W39 PolarHBondContact OD1-NE1 2.94Å; D27-G41 CarbonylContact C-O 3.57Å; D27-G41 WeakPolarHBondContact CA-O 3.35Å; D27-V42 WeakPolarHBondContact OD1-CB 3.37Å; D27-V42 WeakPolarHBondContact OD1-CG2 3.3Å; D27-C87 CarbonylContact O-C 3.59Å; D27-C87 VanDerWaalsContact O-CA 3.23Å; D27-C87 WeakPolarHBondContact O-CA 3.4Å; D27-A88 HydrophobicContact CB-CB 4.42Å; D27-A88 PolarHBondContact N-O 3.11Å; D27-A88 PolarHBondContact O-N 3.22Å; D27-M94 HydrophobicContact CB-CE 3.74Å; D27-M94 HydrophobicContact CB-CG 4.44Å
28W96.3Very high92Very high3 Ų354.1 Ų54.11%0.01135%0.349CS..EExtended strand (participates in β ladder)trans-113.4130.9167.8-75.196.4000109.8I12 C14 L40 G41 V70 L72 Y86 C87I12-W28 HydrophobicContact CB-CH2 4.12Å; I12-W28 HydrophobicContact CB-CZ3 4.22Å; I12-W28 HydrophobicContact CG2-CH2 3.75Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; C14-W28 HydrophobicContact CB-CH2 3.62Å; C14-W28 HydrophobicContact CB-CZ2 3.75Å; W28-L40 HydrophobicContact CB-CB 4.07Å; W28-L40 HydrophobicContact CB-CD1 4.39Å; W28-L40 WeakPolarHBondContact O-CB 3.32Å; W28-L40 PolarHBondContact O-N 3.13Å; W28-G41 PolarHBondContact N-O 3.11Å; W28-V70 HydrophobicContact CZ2-CG1 4.33Å; W28-L72 HydrophobicContact CB-CD2 4.23Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.92Å; W28-L72 HydrophobicContact CD2-CG 4.27Å; W28-L72 HydrophobicContact CE3-CB 3.99Å; W28-L72 HydrophobicContact CE3-CD2 3.84Å; W28-L72 HydrophobicContact CG-CB 4.05Å; W28-L72 HydrophobicContact CG-CD1 4.27Å; W28-L72 HydrophobicContact CG-CD2 4.1Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4.14Å; W28-L72 HydrophobicContact CZ2-CB 3.79Å; W28-L72 HydrophobicContact CZ3-CB 4.24Å; W28-L72 HydrophobicContact CZ3-CD2 4.49Å; W28-Y86 WeakPolarHBondContact CA-O 3.45Å; W28-C87 HydrophobicContact CD2-CB 4.49Å; W28-C87 HydrophobicContact CE3-CB 4.32Å; W28-C87 HydrophobicContact CH2-CB 4.29Å; W28-C87 HydrophobicContact CZ2-CB 4.44Å; W28-C87 HydrophobicContact CZ3-CB 4.22Å
29V96.1Very high92.5Very high4 Ų453.5 Ų53.52%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-133.1143.5-179.3-179.70000108.1L37 E38 Y86 M94 W97V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 4Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; V29-Y86 PolarHBondContact N-O 2.97Å; V29-Y86 PolarHBondContact O-N 3Å; V29-M94 HydrophobicContact CG2-CE 4.09Å; V29-M94 HydrophobicContact CG2-SD 3.97Å; V29-W97 HydrophobicContact CB-CH2 4Å; V29-W97 HydrophobicContact CB-CZ3 3.83Å; V29-W97 HydrophobicContact CG1-CH2 3.94Å; V29-W97 HydrophobicContact CG1-CZ3 3.95Å; V29-W97 HydrophobicContact CG2-CH2 3.82Å; V29-W97 HydrophobicContact CG2-CZ3 4.07Å
30R96Very high93.1Very high19 Ų1951.3 Ų51.37%0.07231%0.309CS..EExtended strand (participates in β ladder)trans-122.2158169.971.2177178.1-1750.8112.2E38 L40 D81 A83 M84 Y85R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE2 2.81Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE2 2.9Å; R30-E38 PolarHBondContact NE-OE2 3.4Å; R30-E38 IonicContact NH2-OE1 3.56Å; R30-E38 IonicContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 3.27Å; R30-L40 HydrophobicContact CB-CD1 4.09Å; R30-L40 HydrophobicContact CB-CG 4.45Å; R30-L40 HydrophobicContact CG-CD1 4.24Å; R30-L40 HydrophobicContact CG-CD2 3.84Å; R30-L40 HydrophobicContact CG-CG 4.2Å; R30-D81 IonicContact CZ-OD1 3.2Å; R30-D81 IonicContact NH1-OD1 2.8Å; R30-D81 PolarHBondContact NH1-OD1 3.37Å; R30-A83 HydrophobicContact CB-CB 3.98Å; R30-A83 HydrophobicContact CG-CB 4.38Å; R30-M84 CarbonylContact C-O 3.53Å; R30-M84 WeakPolarHBondContact CA-O 3.5Å; R30-Y85 HydrophobicContact CB-CD1 3.91Å; R30-Y85 HydrophobicContact CB-CE1 3.9Å; R30-Y85 HydrophobicContact CB-CG 4.27Å
31Q96.5Very high93.5Very high78 Ų7848.8 Ų48.836%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-132.4106.4173.4-166.917921.400109.5L37 A83 M84 Y86Q31-L37 HydrophobicContact CB-CD2 3.96Å; Q31-L37 HydrophobicContact CG-CD2 4.2Å; Q31-A83 WeakPolarHBondContact O-CA 3.25Å; Q31-A83 WeakPolarHBondContact O-CB 3.28Å; Q31-M84 PolarHBondContact N-O 2.92Å; Q31-M84 PolarHBondContact O-N 2.84Å; Q31-Y86 HydrophobicContact CB-CE2 3.94Å; Q31-Y86 PolarHBondContact OE1-OH 2.81Å
32S95.3Very high93.7Very high14 Ų1448.9 Ų48.910%0.09829%0.292CS..  trans-74.8152.6172.9-55.20000110.6G34 K35S32-G34 PolarHBondContact O-N 3.42Å; S32-K35 PolarHBondContact O-N 3.03Å
33P93.2Very high94Very high105 Ų10545.6 Ų45.668%0.68227%0.271SS*.THydrogen-bonded Turntrans-52.7126.4175-25.734.5000111.8K35 T82P33-K35 PolarHBondContact O-N 2.92Å; P33-T82 WeakPolarHBondContact CD-O 3.14Å
34G93.8Very high94.3Very high93 Ų9347 Ų4796%0.95926%0.264SS*.THydrogen-bonded Turntrans72.46.6-179.500000115.7S32S32-G34 PolarHBondContact O-N 3.42Å
35K93.8Very high94.5Very high141 Ų14144.5 Ų44.561%0.61326%0.259SS*.SBendtrans-115162.3176.3-59.5-169.5-176.4174.20111.9S32 P33S32-K35 PolarHBondContact O-N 3.03Å; P33-K35 PolarHBondContact O-N 2.92Å
36G94.1Very high94.5Very high55 Ų5550.3 Ų50.357%0.56729%0.292SS*.  trans-71.9-179.8171.800000113.1
37L94.7Very high94.4Very high99 Ų9952 Ų5252%0.51831%0.309SS..EExtended strand (participates in β ladder)trans-68.4130.8173.1-63.7176.9000110.3V29 Q31 Y86 W97V29-L37 HydrophobicContact CG1-CB 3.84Å; V29-L37 HydrophobicContact CG1-CD2 4Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.96Å; Q31-L37 HydrophobicContact CG-CD2 4.2Å; L37-Y86 HydrophobicContact CD2-CE2 4.47Å; L37-W97 HydrophobicContact CD1-CH2 3.86Å; L37-W97 HydrophobicContact CD1-CZ2 4.47Å; L37-W97 HydrophobicContact CD1-CZ3 4.39Å
38E95.3Very high94.3Very high62 Ų6253.3 Ų53.329%0.2932%0.321SS..EExtended strand (participates in β ladder)trans-116.8120.4175.6-177-177.9-166.400109.4V29 R30V29-E38 CarbonylContact C-O 3.46Å; V29-E38 WeakPolarHBondContact CA-O 3.45Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; R30-E38 HydrophobicContact CG-CB 4.12Å; R30-E38 IonicContact CZ-OE2 2.81Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE2 2.9Å; R30-E38 PolarHBondContact NE-OE2 3.4Å; R30-E38 IonicContact NH2-OE1 3.56Å; R30-E38 IonicContact NH2-OE2 3.49Å; R30-E38 PolarHBondContact NH2-OE2 2.88Å; R30-E38 PolarHBondContact O-N 3.27Å
39W95.1Very high94.3Very high78 Ų7855.9 Ų55.930%0.29534%0.337SS..EExtended strand (participates in β ladder)trans-73.1134.9174.1-179.380.5000110.9D27 G41 V42 N50 Y51 N52 M94D27-W39 PolarHBondContact OD1-NE1 2.94Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.9Å; W39-V42 HydrophobicContact CZ2-CB 3.99Å; W39-V42 HydrophobicContact CZ2-CG1 3.86Å; W39-N50 HydrophobicContact CH2-CB 4.23Å; W39-Y51 VanDerWaalsContact CZ3-C 3.42Å; W39-N52 HydrophobicContact CE3-CB 4.06Å; W39-N52 HydrophobicContact CZ3-CB 4.26Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 VanDerWaalsContact O-CB 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.46Å; W39-N52 PolarHBondContact O-ND2 3.03Å; W39-M94 VanDerWaalsContact CD1-CE 3.48Å
40L95.9Very high94.3Very high1 Ų159.1 Ų59.11%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-105-38.3-176.9-61.5-176.1000112.6W28 R30 Y51 N52 L55 L59 L72 Y85W28-L40 HydrophobicContact CB-CB 4.07Å; W28-L40 HydrophobicContact CB-CD1 4.39Å; W28-L40 WeakPolarHBondContact O-CB 3.32Å; W28-L40 PolarHBondContact O-N 3.13Å; R30-L40 HydrophobicContact CB-CD1 4.09Å; R30-L40 HydrophobicContact CB-CG 4.45Å; R30-L40 HydrophobicContact CG-CD1 4.24Å; R30-L40 HydrophobicContact CG-CD2 3.84Å; R30-L40 HydrophobicContact CG-CG 4.2Å; L40-Y51 WeakPolarHBondContact O-CA 3.23Å; L40-N52 PolarHBondContact O-N 3.49Å; L40-L55 HydrophobicContact CD2-CD1 3.32Å; L40-L59 HydrophobicContact CB-CD1 3.93Å; L40-L59 HydrophobicContact CD2-CD1 4.34Å; L40-L72 HydrophobicContact CD1-CD2 3.72Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.61Å
41G95.7Very high94.3Very high0 Ų059.9 Ų59.90%036%0.357CS..EExtended strand (participates in β ladder)trans164.9173.9-175.200000112.5D27 W28 W39 N50D27-G41 CarbonylContact C-O 3.57Å; D27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 3.11Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 2.9Å; G41-N50 CarbonylContact C-O 3.57Å; G41-N50 WeakPolarHBondContact CA-O 3.33Å
42V95.1Very high94.2Very high5 Ų557.7 Ų57.73%0.0335%0.348CS..EExtended strand (participates in β ladder)trans-140.4148.4-179.466.80000110V26 D27 W39 W44 T49 N50V26-V42 WeakPolarHBondContact O-CA 3.39Å; D27-V42 WeakPolarHBondContact OD1-CB 3.37Å; D27-V42 WeakPolarHBondContact OD1-CG2 3.3Å; W39-V42 HydrophobicContact CZ2-CB 3.99Å; W39-V42 HydrophobicContact CZ2-CG1 3.86Å; V42-W44 HydrophobicContact CG1-CD2 4.09Å; V42-W44 HydrophobicContact CG1-CE3 4.17Å; V42-W44 HydrophobicContact CG1-CH2 3.61Å; V42-W44 HydrophobicContact CG1-CZ2 3.45Å; V42-W44 VanDerWaalsContact CG1-CZ2 3.45Å; V42-W44 HydrophobicContact CG1-CZ3 3.96Å; V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.3Å; V42-N50 HydrophobicContact CG1-CB 3.98Å; V42-N50 PolarHBondContact N-O 2.72Å; V42-N50 PolarHBondContact O-N 3.4Å
43I95.3Very high94.1Very high8 Ų862.3 Ų62.34%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-119.5124.9163-172.4164000109.5G25 V26 S48 T49 I61 K63 V70G25-I43 CarbonylContact C-O 3.42Å; G25-I43 WeakPolarHBondContact CA-O 3.19Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 3.26Å; V26-I43 PolarHBondContact O-N 2.85Å; I43-S48 WeakPolarHBondContact CA-O 3.38Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.79Å; I43-I61 HydrophobicContact CB-CG2 3.68Å; I43-I61 HydrophobicContact CD1-CG2 4.43Å; I43-I61 HydrophobicContact CG2-CG2 3.63Å; I43-K63 HydrophobicContact CD1-CB 4.09Å; I43-K63 HydrophobicContact CD1-CD 3.84Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.13Å; I43-V70 HydrophobicContact CG2-CG1 3.71Å
44W93Very high94Very high112 Ų11260.9 Ų60.942%0.42438%0.377SS..  trans-86.5168.3-179.5-68.9-76000112.6V42 V46 G47 S48 N50 K63V42-W44 HydrophobicContact CG1-CD2 4.09Å; V42-W44 HydrophobicContact CG1-CE3 4.17Å; V42-W44 HydrophobicContact CG1-CH2 3.61Å; V42-W44 HydrophobicContact CG1-CZ2 3.45Å; V42-W44 VanDerWaalsContact CG1-CZ2 3.45Å; V42-W44 HydrophobicContact CG1-CZ3 3.96Å; W44-V46 HydrophobicContact CB-CG2 4.46Å; W44-V46 PolarHBondContact O-N 2.92Å; W44-G47 WeakPolarHBondContact O-CA 3.36Å; W44-G47 PolarHBondContact O-N 2.92Å; W44-S48 VanDerWaalsContact CE3-OG 3.25Å; W44-S48 PolarHBondContact N-O 2.93Å; W44-N50 HydrophobicContact CH2-CB 3.51Å; W44-N50 HydrophobicContact CZ3-CB 3.74Å; W44-K63 PolarHBondContact O-NZ 3.39Å
45G90.4Very high93.8Very high16 Ų1657 Ų5717%0.16534%0.335CS..THydrogen-bonded Turntrans-51.3-38.4177.900000113.9L21 T22 Y24 G47 K63L21-G45 WeakPolarHBondContact O-CA 3.35Å; T22-G45 CarbonylContact O-C 3.52Å; T22-G45 VanDerWaalsContact O-CA 3.26Å; T22-G45 WeakPolarHBondContact O-CA 3.44Å; Y24-G45 PolarHBondContact O-N 2.8Å; G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.97Å; G45-K63 VanDerWaalsContact C-NZ 3.25Å; G45-K63 PolarHBondContact O-NZ 3.07Å
46V90.6Very high93.7Very high133 Ų13356.2 Ų56.281%0.80633%0.331SS*.THydrogen-bonded Turntrans-78.8-4.9177.7-59.20000114.5W44 S48W44-V46 HydrophobicContact CB-CG2 4.46Å; W44-V46 PolarHBondContact O-N 2.92Å; V46-S48 WeakPolarHBondContact CG2-OG 3.46Å
47G91.3Very high93.7Very high37 Ų3759 Ų5938%0.38134%0.342SS..SBendtrans91.4-1.9176.400000115.4W44 G45W44-G47 WeakPolarHBondContact O-CA 3.36Å; W44-G47 PolarHBondContact O-N 2.92Å; G45-G47 VanDerWaalsContact C-N 3.28Å; G45-G47 PolarHBondContact O-N 2.97Å
48S93.6Very high93.7Very high57 Ų5755.8 Ų55.840%0.39932%0.323SS..  trans-63.7148.7169.148.60000110.7I43 W44 V46I43-S48 WeakPolarHBondContact CA-O 3.38Å; W44-S48 VanDerWaalsContact CE3-OG 3.25Å; W44-S48 PolarHBondContact N-O 2.93Å; V46-S48 WeakPolarHBondContact CG2-OG 3.46Å
49T96.1Very high93.7Very high56 Ų5653.6 Ų53.634%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-125.5148.3179.9530000111.3V42 I43 Y51 I61V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.3Å; I43-T49 HydrophobicContact CB-CG2 3.94Å; I43-T49 HydrophobicContact CD1-CG2 3.91Å; I43-T49 HydrophobicContact CG1-CG2 3.79Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.35Å; T49-Y51 PolarHBondContact OG1-OH 3.25Å; T49-I61 HydrophobicContact CG2-CB 4.36Å
50N95.6Very high93.7Very high73 Ų7352.3 Ų52.339%0.3932%0.316SS..EExtended strand (participates in β ladder)trans-133.8154.7166.8-166.215.1000109.5W39 G41 V42 W44W39-N50 HydrophobicContact CH2-CB 4.23Å; G41-N50 CarbonylContact C-O 3.57Å; G41-N50 WeakPolarHBondContact CA-O 3.33Å; V42-N50 HydrophobicContact CG1-CB 3.98Å; V42-N50 PolarHBondContact N-O 2.72Å; V42-N50 PolarHBondContact O-N 3.4Å; W44-N50 HydrophobicContact CH2-CB 3.51Å; W44-N50 HydrophobicContact CZ3-CB 3.74Å
51Y96.3Very high93.8Very high34 Ų3452.6 Ų52.613%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-137.1152.7-171.9-59.3-89.2000110.1W39 L40 T49 S53 K56 L59 I61W39-Y51 VanDerWaalsContact CZ3-C 3.42Å; L40-Y51 WeakPolarHBondContact O-CA 3.23Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.35Å; T49-Y51 PolarHBondContact OG1-OH 3.25Å; Y51-S53 PolarHBondContact O-N 2.74Å; Y51-K56 HydrophobicContact CD2-CG 4.12Å; Y51-K56 HydrophobicContact CG-CG 4.14Å; Y51-L59 HydrophobicContact CD1-CB 3.85Å; Y51-L59 HydrophobicContact CE1-CB 4.09Å; Y51-I61 HydrophobicContact CD1-CD1 4.15Å; Y51-I61 HydrophobicContact CE1-CB 4.25Å; Y51-I61 HydrophobicContact CE1-CD1 3.86Å; Y51-I61 HydrophobicContact CE1-CG1 3.82Å; Y51-I61 PolarHBondContact OH-N 3.43Å; Y51-I61 VanDerWaalsContact OH-N 3.09Å
52N94.9Very high93.8Very high32 Ų3255.3 Ų55.317%0.17134%0.337CS..  trans-60.7125.3164.1-176.8-32.4000109.1W39 L40 A54 L55 K56W39-N52 HydrophobicContact CE3-CB 4.06Å; W39-N52 HydrophobicContact CZ3-CB 4.26Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 VanDerWaalsContact O-CB 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.46Å; W39-N52 PolarHBondContact O-ND2 3.03Å; L40-N52 PolarHBondContact O-N 3.49Å; N52-A54 PolarHBondContact O-N 2.86Å; N52-A54 VanDerWaalsContact O-N 3.16Å; N52-A54 WeakPolarHBondContact OD1-CB 3.42Å; N52-A54 PolarHBondContact OD1-N 3.2Å; N52-L55 PolarHBondContact O-N 2.95Å; N52-K56 PolarHBondContact O-N 2.81Å
53S93.4Very high93.8Very high112 Ų11257.2 Ų57.278%0.78334%0.344SS*.THydrogen-bonded Turntrans-57.2-32.3-175.250.90000113Y51 L55Y51-S53 PolarHBondContact O-N 2.74Å; S53-L55 VanDerWaalsContact C-N 3.28Å; S53-L55 PolarHBondContact O-N 2.76Å
54A90.4Very high93.8Very high74 Ų7458.8 Ų58.861%0.61235%0.353SS*.THydrogen-bonded Turntrans-70.2-23.5178.500000113.3N52N52-A54 PolarHBondContact O-N 2.86Å; N52-A54 VanDerWaalsContact O-N 3.16Å; N52-A54 WeakPolarHBondContact OD1-CB 3.42Å; N52-A54 PolarHBondContact OD1-N 3.2Å
55L89.9Confident93.8Very high11 Ų1156.9 Ų56.96%0.05835%0.351CS..THydrogen-bonded Turntrans-117.3-8.9-171.7-59.1172.9000113.2L40 N52 S53 S57 R58 L59L40-L55 HydrophobicContact CD2-CD1 3.32Å; N52-L55 PolarHBondContact O-N 2.95Å; S53-L55 VanDerWaalsContact C-N 3.28Å; S53-L55 PolarHBondContact O-N 2.76Å; L55-S57 PolarHBondContact O-N 2.81Å; L55-R58 PolarHBondContact O-N 2.9Å; L55-L59 HydrophobicContact CB-CD1 3.58Å; L55-L59 HydrophobicContact CB-CG 3.96Å; L55-L59 HydrophobicContact CD1-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 2.84Å
56K91.9Very high93.9Very high126 Ų12661.1 Ų61.155%0.54838%0.378SS..THydrogen-bonded Turntrans-52-32.5-173.5-175.6173.6-177.5179.50114.7Y51 N52 R58Y51-K56 HydrophobicContact CD2-CG 4.12Å; Y51-K56 HydrophobicContact CG-CG 4.14Å; N52-K56 PolarHBondContact O-N 2.81Å; K56-R58 VanDerWaalsContact C-N 3.26Å; K56-R58 PolarHBondContact O-N 3.3Å
57S93.3Very high94Very high113 Ų11360.9 Ų60.979%0.7937%0.366SS*.THydrogen-bonded Turntrans-71-20.3179.757.80000113.8L55L55-S57 PolarHBondContact O-N 2.81Å
58R94.2Very high94.1Very high32 Ų3261.2 Ų61.212%0.12136%0.363CS..THydrogen-bonded Turntrans-111-14.1-174.2-59.2-167.8-58.3115.6-3113.5L55 K56 N75 S76 D81L55-R58 PolarHBondContact O-N 2.9Å; K56-R58 VanDerWaalsContact C-N 3.26Å; K56-R58 PolarHBondContact O-N 3.3Å; R58-N75 PolarHBondContact O-N 3.06Å; R58-N75 PolarHBondContact O-ND2 2.86Å; R58-S76 PolarHBondContact NH1-O 3.44Å; R58-D81 IonicContact CZ-OD1 3.54Å; R58-D81 IonicContact CZ-OD2 2.72Å; R58-D81 IonicContact NH1-OD1 3.8Å; R58-D81 IonicContact NH1-OD2 3.71Å; R58-D81 PolarHBondContact NH1-OD2 2.85Å; R58-D81 IonicContact NH2-OD1 3.61Å; R58-D81 PolarHBondContact NH2-OD1 2.94Å; R58-D81 IonicContact NH2-OD2 2.73Å; R58-D81 PolarHBondContact NH2-OD2 3.04Å
59L95.1Very high94.2Very high16 Ų1660.7 Ų60.78%0.08435%0.354CS..EExtended strand (participates in β ladder)trans-101.7145.7-175.8-59.1-176.3000112.2L40 Y51 L55 L72 K73 M74L40-L59 HydrophobicContact CB-CD1 3.93Å; L40-L59 HydrophobicContact CD2-CD1 4.34Å; Y51-L59 HydrophobicContact CD1-CB 3.85Å; Y51-L59 HydrophobicContact CE1-CB 4.09Å; L55-L59 HydrophobicContact CB-CD1 3.58Å; L55-L59 HydrophobicContact CB-CG 3.96Å; L55-L59 HydrophobicContact CD1-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 2.84Å; L59-L72 HydrophobicContact CD2-CD1 4.27Å; L59-K73 CarbonylContact C-O 3.59Å; L59-K73 WeakPolarHBondContact CA-O 3.01Å; L59-M74 HydrophobicContact CD2-CB 4.31Å; L59-M74 HydrophobicContact CD2-CG 3.6Å; L59-M74 HydrophobicContact CD2-SD 4.34Å
60S96.3Very high94.2Very high50 Ų5058 Ų5835%0.3534%0.338SS..EExtended strand (participates in β ladder)trans-142.2124168.5177.60000109.1K73S60-K73 PolarHBondContact N-O 3.5Å; S60-K73 PolarHBondContact O-N 2.88Å
61I97Very high94.2Very high8 Ų856.5 Ų56.54%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-108.2132.4177.6-59.9163.5000108.6I43 T49 Y51 V70 F71 L72I43-I61 HydrophobicContact CB-CG2 3.68Å; I43-I61 HydrophobicContact CD1-CG2 4.43Å; I43-I61 HydrophobicContact CG2-CG2 3.63Å; T49-I61 HydrophobicContact CG2-CB 4.36Å; Y51-I61 HydrophobicContact CD1-CD1 4.15Å; Y51-I61 HydrophobicContact CE1-CB 4.25Å; Y51-I61 HydrophobicContact CE1-CD1 3.86Å; Y51-I61 HydrophobicContact CE1-CG1 3.82Å; Y51-I61 PolarHBondContact OH-N 3.43Å; Y51-I61 VanDerWaalsContact OH-N 3.09Å; I61-V70 HydrophobicContact CG2-CG1 4.06Å; I61-F71 WeakPolarHBondContact CA-O 2.97Å; I61-L72 HydrophobicContact CD1-CD1 4.4Å; I61-L72 HydrophobicContact CG1-CD1 3.73Å
62S96.2Very high94.3Very high57 Ų5754.9 Ų54.940%0.39932%0.321SS..EExtended strand (participates in β ladder)trans-139.9168.7175.666.50000110.7V70 F71S62-V70 CarbonylContact O-C 3.41Å; S62-V70 WeakPolarHBondContact O-CA 3.47Å; S62-V70 WeakPolarHBondContact O-CG1 3.45Å; S62-F71 PolarHBondContact N-O 2.85Å; S62-F71 PolarHBondContact O-N 2.71Å
63K95.3Very high94.3Very high44 Ų4458 Ų5819%0.19133%0.333CS..EExtended strand (participates in β ladder)trans-143.7151.5177.769.2-176.1-173.8-179.70112.2L21 I43 W44 G45 N65 Q69 V70L21-K63 HydrophobicContact CB-CD 4.42Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 3.03Å; I43-K63 HydrophobicContact CD1-CB 4.09Å; I43-K63 HydrophobicContact CD1-CD 3.84Å; I43-K63 HydrophobicContact CD1-CG 3.75Å; I43-K63 HydrophobicContact CG1-CD 4.13Å; W44-K63 PolarHBondContact O-NZ 3.39Å; G45-K63 VanDerWaalsContact C-NZ 3.25Å; G45-K63 PolarHBondContact O-NZ 3.07Å; K63-N65 WeakPolarHBondContact CD-OD1 3.18Å; K63-N65 WeakPolarHBondContact CE-OD1 3.39Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 VanDerWaalsContact CA-O 3.28Å; K63-Q69 WeakPolarHBondContact CA-O 3.43Å; K63-Q69 WeakPolarHBondContact CB-O 3.45Å; K63-V70 HydrophobicContact CB-CG2 4.07Å
64D94.9Very high94.3Very high42 Ų4252.8 Ų52.823%0.22530%0.296CS..EExtended strand (participates in β ladder)trans-120.1101170.2-176.3-15.5000108.2S66 K67 S68 Q69 F71D64-S66 PolarHBondContact O-N 2.99Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 2.85Å; D64-S66 PolarHBondContact OD1-OG 3.06Å; D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 2.84Å; D64-K67 PolarHBondContact OD1-N 3.47Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.45Å; D64-K67 WeakPolarHBondContact OD2-CE 3.08Å; D64-K67 WeakPolarHBondContact OD2-CG 3.15Å; D64-K67 IonicContact OD2-NZ 3.98Å; D64-S68 PolarHBondContact O-N 3.5Å; D64-Q69 PolarHBondContact N-O 2.76Å; D64-Q69 PolarHBondContact O-N 2.82Å; D64-F71 HydrophobicContact CB-CE2 3.87Å; D64-F71 HydrophobicContact CB-CZ 4.46Å
65N92.5Very high94.5Very high72 Ų7251.5 Ų51.539%0.38528%0.279SS..G310 helixtrans-64-31.3-179.5-63.8-18.6000112L21 T22 K63 K67 S68L21-N65 WeakPolarHBondContact CB-OD1 3.24Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.39Å; K63-N65 WeakPolarHBondContact CD-OD1 3.18Å; K63-N65 WeakPolarHBondContact CE-OD1 3.39Å; N65-K67 PolarHBondContact O-N 2.98Å; N65-S68 PolarHBondContact O-N 2.95Å
66S92.2Very high94.5Very high105 Ų10554.2 Ų54.273%0.73430%0.299SS*.G310 helixtrans-67.9-29.3-178.874.10000112.1D64D64-S66 PolarHBondContact O-N 2.99Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 2.85Å; D64-S66 PolarHBondContact OD1-OG 3.06Å
67K93.8Very high94.5Very high128 Ų12848.4 Ų48.456%0.55727%0.274SS*.G310 helixtrans-101.5-1.8178.3-60.6-177.2-169.5170.30113.4D64 N65 Q69D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 2.84Å; D64-K67 PolarHBondContact OD1-N 3.47Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.45Å; D64-K67 WeakPolarHBondContact OD2-CE 3.08Å; D64-K67 WeakPolarHBondContact OD2-CG 3.15Å; D64-K67 IonicContact OD2-NZ 3.98Å; N65-K67 PolarHBondContact O-N 2.98Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.11Å; K67-Q69 PolarHBondContact O-N 2.87Å
68S92.9Very high94.4Very high43 Ų4347.6 Ų47.630%0.30126%0.258SS..THydrogen-bonded Turntrans52.144.5-171.2-58.20000112.1V16 D64 N65V16-S68 WeakPolarHBondContact CG2-O 3.16Å; V16-S68 PolarHBondContact N-O 3.22Å; V16-S68 WeakPolarHBondContact O-CB 3.48Å; D64-S68 PolarHBondContact O-N 3.5Å; N65-S68 PolarHBondContact O-N 2.95Å
69Q95.6Very high94.1Very high47 Ų4749.8 Ų49.822%0.2228%0.275CS..EExtended strand (participates in β ladder)trans-120.9142-176.7-76.9176.7-16.500112.3T13 C14 T15 K63 D64 K67 F71T13-Q69 HydrophobicContact CG2-CB 4.17Å; T13-Q69 HydrophobicContact CG2-CG 3.95Å; C14-Q69 CarbonylContact O-C 3.51Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.37Å; T15-Q69 PolarHBondContact OG1-NE2 2.77Å; K63-Q69 CarbonylContact C-O 3.59Å; K63-Q69 VanDerWaalsContact CA-O 3.28Å; K63-Q69 WeakPolarHBondContact CA-O 3.43Å; K63-Q69 WeakPolarHBondContact CB-O 3.45Å; D64-Q69 PolarHBondContact N-O 2.76Å; D64-Q69 PolarHBondContact O-N 2.82Å; K67-Q69 HydrophobicContact CB-CB 4.29Å; K67-Q69 HydrophobicContact CB-CG 4.11Å; K67-Q69 PolarHBondContact O-N 2.87Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.92Å; Q69-F71 HydrophobicContact CB-CZ 3.62Å
70V95.9Very high93.9Very high0 Ų054.2 Ų54.20%030%0.299CS..EExtended strand (participates in β ladder)trans-120.6138.9171.2-175.40000108.4C14 L21 V26 W28 I43 I61 S62 K63C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 2.73Å; L21-V70 HydrophobicContact CD1-CG2 3.87Å; L21-V70 HydrophobicContact CD2-CG2 3.59Å; L21-V70 HydrophobicContact CG-CG2 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.37Å; V26-V70 HydrophobicContact CB-CG2 3.98Å; V26-V70 HydrophobicContact CG1-CB 4.27Å; V26-V70 HydrophobicContact CG1-CG1 4.22Å; V26-V70 HydrophobicContact CG1-CG2 4.12Å; V26-V70 HydrophobicContact CG2-CG2 3.88Å; W28-V70 HydrophobicContact CZ2-CG1 4.33Å; I43-V70 HydrophobicContact CG2-CG1 3.71Å; I61-V70 HydrophobicContact CG2-CG1 4.06Å; S62-V70 CarbonylContact O-C 3.41Å; S62-V70 WeakPolarHBondContact O-CA 3.47Å; S62-V70 WeakPolarHBondContact O-CG1 3.45Å; K63-V70 HydrophobicContact CB-CG2 4.07Å
71F96.7Very high93.7Very high41 Ų4152 Ų5218%0.1828%0.283CS..EExtended strand (participates in β ladder)trans-119.4133.5-175.9-51.6-86.3000110.1I12 T13 I61 S62 D64 Q69I12-F71 CarbonylContact O-C 3.59Å; I12-F71 VanDerWaalsContact O-CA 3.29Å; I12-F71 WeakPolarHBondContact O-CA 3.32Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.58Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.2Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.36Å; I61-F71 WeakPolarHBondContact CA-O 2.97Å; S62-F71 PolarHBondContact N-O 2.85Å; S62-F71 PolarHBondContact O-N 2.71Å; D64-F71 HydrophobicContact CB-CE2 3.87Å; D64-F71 HydrophobicContact CB-CZ 4.46Å; Q69-F71 HydrophobicContact CB-CE1 4.3Å; Q69-F71 HydrophobicContact CB-CE2 3.92Å; Q69-F71 HydrophobicContact CB-CZ 3.62Å
72L97.1Very high93.5Very high0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans-109.6107.2166.6175.869.1000108.4S11 I12 W28 L40 L59 I61 M74 Y85S11-L72 CarbonylContact C-O 3.5Å; S11-L72 WeakPolarHBondContact CA-O 3.23Å; I12-L72 HydrophobicContact CB-CB 4.5Å; I12-L72 PolarHBondContact N-O 3Å; I12-L72 PolarHBondContact O-N 2.89Å; W28-L72 HydrophobicContact CB-CD2 4.23Å; W28-L72 HydrophobicContact CD2-CB 3.61Å; W28-L72 HydrophobicContact CD2-CD2 3.92Å; W28-L72 HydrophobicContact CD2-CG 4.27Å; W28-L72 HydrophobicContact CE3-CB 3.99Å; W28-L72 HydrophobicContact CE3-CD2 3.84Å; W28-L72 HydrophobicContact CG-CB 4.05Å; W28-L72 HydrophobicContact CG-CD1 4.27Å; W28-L72 HydrophobicContact CG-CD2 4.1Å; W28-L72 HydrophobicContact CG-CG 4.38Å; W28-L72 HydrophobicContact CH2-CB 4.14Å; W28-L72 HydrophobicContact CZ2-CB 3.79Å; W28-L72 HydrophobicContact CZ3-CB 4.24Å; W28-L72 HydrophobicContact CZ3-CD2 4.49Å; L40-L72 HydrophobicContact CD1-CD2 3.72Å; L59-L72 HydrophobicContact CD2-CD1 4.27Å; I61-L72 HydrophobicContact CD1-CD1 4.4Å; I61-L72 HydrophobicContact CG1-CD1 3.73Å; L72-M74 HydrophobicContact CD2-CG 4.32Å; L72-M74 HydrophobicContact CD2-SD 4.25Å; L72-M74 HydrophobicContact CG-CG 4.11Å; L72-Y85 HydrophobicContact CD2-CD1 3.82Å; L72-Y85 HydrophobicContact CD2-CE1 4.14Å
73K95.7Very high93.5Very high98 Ų9850.8 Ų50.843%0.42627%0.274SS..EExtended strand (participates in β ladder)trans-92.6125.4171.4-174.4177.8-176.2-1760109.6L10 L59 S60 N75L10-K73 CarbonylContact O-C 3.37Å; L10-K73 WeakPolarHBondContact O-CA 3.46Å; L59-K73 CarbonylContact C-O 3.59Å; L59-K73 WeakPolarHBondContact CA-O 3.01Å; S60-K73 PolarHBondContact N-O 3.5Å; S60-K73 PolarHBondContact O-N 2.88Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.32Å
74M94.4Very high93.6Very high1 Ų151.6 Ų51.61%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-114.2123.7175.2-58.9-174.9-7600108.3S9 L10 I12 L59 L72 L77 Y85S9-M74 CarbonylContact C-O 3.55Å; S9-M74 WeakPolarHBondContact CA-O 3.2Å; L10-M74 HydrophobicContact CD2-CE 4.02Å; L10-M74 PolarHBondContact N-O 2.82Å; L10-M74 PolarHBondContact O-N 3Å; I12-M74 HydrophobicContact CD1-CE 3.59Å; I12-M74 HydrophobicContact CG1-CE 4.1Å; L59-M74 HydrophobicContact CD2-CB 4.31Å; L59-M74 HydrophobicContact CD2-CG 3.6Å; L59-M74 HydrophobicContact CD2-SD 4.34Å; L72-M74 HydrophobicContact CD2-CG 4.32Å; L72-M74 HydrophobicContact CD2-SD 4.25Å; L72-M74 HydrophobicContact CG-CG 4.11Å; M74-L77 HydrophobicContact CB-CD2 3.93Å; M74-L77 HydrophobicContact CE-CD2 4.16Å; M74-L77 HydrophobicContact SD-CD2 4.34Å; M74-Y85 HydrophobicContact CE-CD1 4.33Å; M74-Y85 HydrophobicContact CE-CE1 3.74Å; M74-Y85 HydrophobicContact CE-CE2 4.25Å; M74-Y85 HydrophobicContact SD-CD1 4.25Å; M74-Y85 HydrophobicContact SD-CE1 3.3Å; M74-Y85 WeakPolarHBondContact SD-CE1 3.44Å; M74-Y85 VanDerWaalsContact SD-CZ 3.52Å; M74-Y85 PolarHBondContact SD-OH 3.39Å
75N93.1Very high93.7Very high48 Ų4849.7 Ų49.726%0.25727%0.269SS..  trans-103.4152.3177.2-53.8-59000110S9 R58 K73 L77S9-N75 PolarHBondContact OG-OD1 2.79Å; R58-N75 PolarHBondContact O-N 3.06Å; R58-N75 PolarHBondContact O-ND2 2.86Å; K73-N75 VanDerWaalsContact CE-OD1 3.25Å; K73-N75 WeakPolarHBondContact CE-OD1 3.32Å; N75-L77 PolarHBondContact O-N 2.95Å
76S90.7Very high93.8Very high68 Ų6848.4 Ų48.448%0.47626%0.259SS..SBendtrans51.759.9177.6-56.20000111.6Q8 R58Q8-S76 PolarHBondContact O-N 3.23Å; R58-S76 PolarHBondContact NH1-O 3.44Å
77L90.8Very high93.9Very high3 Ų344.1 Ų44.12%0.01623%0.229CC..  trans-58.4139.7179.9-76.8168000111.6V4 P6 S7 Q8 L10 M74 N75 D81 V105V4-L77 HydrophobicContact CB-CD1 4.03Å; V4-L77 HydrophobicContact CG1-CD1 3.53Å; P6-L77 WeakPolarHBondContact CA-O 3.4Å; S7-L77 PolarHBondContact N-O 3.09Å; Q8-L77 WeakPolarHBondContact O-CG 3.38Å; Q8-L77 PolarHBondContact O-N 2.86Å; L10-L77 HydrophobicContact CB-CD1 3.69Å; M74-L77 HydrophobicContact CB-CD2 3.93Å; M74-L77 HydrophobicContact CE-CD2 4.16Å; M74-L77 HydrophobicContact SD-CD2 4.34Å; N75-L77 PolarHBondContact O-N 2.95Å; L77-D81 WeakPolarHBondContact CA-OD2 3.25Å; L77-D81 HydrophobicContact CD2-CB 3.83Å; L77-V105 HydrophobicContact CB-CG1 4.32Å; L77-V105 HydrophobicContact CB-CG2 4.19Å; L77-V105 HydrophobicContact CD1-CG2 4.33Å; L77-V105 HydrophobicContact CD2-CG2 4.3Å
78Q91.6Very high93.9Very high97 Ų9738.2 Ų38.245%0.45320%0.204SC..  trans-116.1159.1176.4-62.2176.1-13.100109.2D80 D81 V105Q78-D80 PolarHBondContact O-N 3.43Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; Q78-D81 PolarHBondContact N-OD2 2.8Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.42Å; Q78-D81 PolarHBondContact O-N 3.31Å; Q78-V105 WeakPolarHBondContact O-CB 3.42Å
79T89.2Confident93.7Very high78 Ų7836.4 Ų36.448%0.47919%0.191SC..G310 helixtrans-54.4-33.5174.846.60000112.2D81 T82T79-D81 PolarHBondContact O-N 2.02Å; T79-T82 VanDerWaalsContact O-CB 3.24Å; T79-T82 WeakPolarHBondContact O-CB 3.01Å; T79-T82 PolarHBondContact O-N 3.19Å; T79-T82 PolarHBondContact O-OG1 2.75Å
80D89.4Confident92.7Very high109 Ų10934.9 Ų34.958%0.58319%0.188SC*.G310 helixtrans-69.2-14178.3-69.811.8000113.5Q78 T82Q78-D80 PolarHBondContact O-N 3.43Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; D80-T82 PolarHBondContact O-N 3.39Å
81D92Very high91.1Very high3 Ų339.2 Ų39.22%0.01621%0.211CC..G310 helixtrans-80.52.3171.1-59.3-44.5000112R30 R58 L77 Q78 T79 A83 Y85 V105R30-D81 IonicContact CZ-OD1 3.2Å; R30-D81 IonicContact NH1-OD1 2.8Å; R30-D81 PolarHBondContact NH1-OD1 3.37Å; R58-D81 IonicContact CZ-OD1 3.54Å; R58-D81 IonicContact CZ-OD2 2.72Å; R58-D81 IonicContact NH1-OD1 3.8Å; R58-D81 IonicContact NH1-OD2 3.71Å; R58-D81 PolarHBondContact NH1-OD2 2.85Å; R58-D81 IonicContact NH2-OD1 3.61Å; R58-D81 PolarHBondContact NH2-OD1 2.94Å; R58-D81 IonicContact NH2-OD2 2.73Å; R58-D81 PolarHBondContact NH2-OD2 3.04Å; L77-D81 WeakPolarHBondContact CA-OD2 3.25Å; L77-D81 HydrophobicContact CD2-CB 3.83Å; Q78-D81 PolarHBondContact N-OD2 2.8Å; Q78-D81 VanDerWaalsContact O-CB 3.3Å; Q78-D81 WeakPolarHBondContact O-CB 3.42Å; Q78-D81 PolarHBondContact O-N 3.31Å; T79-D81 PolarHBondContact O-N 2.02Å; D81-A83 PolarHBondContact O-N 2.71Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-Y85 WeakPolarHBondContact O-CE2 3.24Å; D81-Y85 PolarHBondContact O-OH 3.07Å; D81-V105 HydrophobicContact CB-CG2 4.45Å
82T94.3Very high89.4Confident36 Ų3648 Ų4822%0.22125%0.245CC..  trans-66.5109.8169.2-63.20000110.1P33 T79 D80 V103 T104 V105P33-T82 WeakPolarHBondContact CD-O 3.14Å; T79-T82 VanDerWaalsContact O-CB 3.24Å; T79-T82 WeakPolarHBondContact O-CB 3.01Å; T79-T82 PolarHBondContact O-N 3.19Å; T79-T82 PolarHBondContact O-OG1 2.75Å; D80-T82 PolarHBondContact O-N 3.39Å; T82-V103 WeakPolarHBondContact CA-O 3.49Å; T82-T104 HydrophobicContact CG2-CG2 4.41Å; T82-V105 PolarHBondContact OG1-N 2.79Å; T82-V105 PolarHBondContact OG1-O 3.17Å
83A95.8Very high87.9Confident4 Ų450.4 Ų50.43%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-164.3167-175.200000111.5R30 Q31 D81 Y85 V103R30-A83 HydrophobicContact CB-CB 3.98Å; R30-A83 HydrophobicContact CG-CB 4.38Å; Q31-A83 WeakPolarHBondContact O-CA 3.25Å; Q31-A83 WeakPolarHBondContact O-CB 3.28Å; D81-A83 PolarHBondContact O-N 2.71Å; D81-A83 VanDerWaalsContact O-N 3.13Å; A83-Y85 HydrophobicContact CB-CD2 4.26Å; A83-Y85 HydrophobicContact CB-CE2 3.77Å; A83-Y85 WeakPolarHBondContact O-CD2 3.35Å; A83-V103 PolarHBondContact N-O 2.82Å; A83-V103 VanDerWaalsContact N-O 3.11Å; A83-V103 PolarHBondContact O-N 3.36Å
84M96.6Very high87.1Confident61 Ų6148.8 Ų48.830%0.326%0.259SS..EExtended strand (participates in β ladder)trans-85.2127.5160.8-163.165.961.700109.1R30 Q31 Y86 S102R30-M84 CarbonylContact C-O 3.53Å; R30-M84 WeakPolarHBondContact CA-O 3.5Å; Q31-M84 PolarHBondContact N-O 2.92Å; Q31-M84 PolarHBondContact O-N 2.84Å; M84-Y86 HydrophobicContact CB-CE2 3.77Å; M84-Y86 HydrophobicContact CG-CD1 4.48Å; M84-Y86 HydrophobicContact CG-CE1 3.66Å; M84-Y86 HydrophobicContact CG-CE2 3.72Å; M84-Y86 VanDerWaalsContact CG-OH 3.23Å; M84-Y86 WeakPolarHBondContact CG-OH 3.36Å; M84-S102 VanDerWaalsContact SD-CA 3.51Å; M84-S102 PolarHBondContact SD-N 2.86Å
85Y96.6Very high86.4Confident2 Ų253.9 Ų53.91%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-107.8127.4-178.8-73.5-101.3000110.6I12 R30 L40 L72 M74 D81 A83 G100 T101 V103I12-Y85 HydrophobicContact CD1-CD1 3.73Å; I12-Y85 HydrophobicContact CD1-CD2 3.9Å; I12-Y85 HydrophobicContact CD1-CE1 4.37Å; I12-Y85 HydrophobicContact CD1-CG 3.44Å; I12-Y85 VanDerWaalsContact CD1-CG 3.44Å; R30-Y85 HydrophobicContact CB-CD1 3.91Å; R30-Y85 HydrophobicContact CB-CE1 3.9Å; R30-Y85 HydrophobicContact CB-CG 4.27Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.61Å; L72-Y85 HydrophobicContact CD2-CD1 3.82Å; L72-Y85 HydrophobicContact CD2-CE1 4.14Å; M74-Y85 HydrophobicContact CE-CD1 4.33Å; M74-Y85 HydrophobicContact CE-CE1 3.74Å; M74-Y85 HydrophobicContact CE-CE2 4.25Å; M74-Y85 HydrophobicContact SD-CD1 4.25Å; M74-Y85 HydrophobicContact SD-CE1 3.3Å; M74-Y85 WeakPolarHBondContact SD-CE1 3.44Å; M74-Y85 VanDerWaalsContact SD-CZ 3.52Å; M74-Y85 PolarHBondContact SD-OH 3.39Å; D81-Y85 WeakPolarHBondContact O-CE2 3.24Å; D81-Y85 PolarHBondContact O-OH 3.07Å; A83-Y85 HydrophobicContact CB-CD2 4.26Å; A83-Y85 HydrophobicContact CB-CE2 3.77Å; A83-Y85 WeakPolarHBondContact O-CD2 3.35Å; Y85-G100 CarbonylContact O-C 3.53Å; Y85-G100 WeakPolarHBondContact O-CA 3.46Å; Y85-T101 PolarHBondContact N-O 3.46Å; Y85-T101 PolarHBondContact O-N 2.9Å; Y85-V103 HydrophobicContact CD2-CB 3.9Å; Y85-V103 HydrophobicContact CD2-CG2 3.66Å; Y85-V103 HydrophobicContact CE2-CB 3.73Å; Y85-V103 HydrophobicContact CE2-CG1 4.41Å; Y85-V103 HydrophobicContact CE2-CG2 3.91Å
86Y95.8Very high86Confident44 Ų4459.2 Ų59.217%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-119.4143.2-178.2-51.8-86.5000109.8W28 V29 Q31 L37 M84 W97W28-Y86 WeakPolarHBondContact CA-O 3.45Å; V29-Y86 PolarHBondContact N-O 2.97Å; V29-Y86 PolarHBondContact O-N 3Å; Q31-Y86 HydrophobicContact CB-CE2 3.94Å; Q31-Y86 PolarHBondContact OE1-OH 2.81Å; L37-Y86 HydrophobicContact CD2-CE2 4.47Å; M84-Y86 HydrophobicContact CB-CE2 3.77Å; M84-Y86 HydrophobicContact CG-CD1 4.48Å; M84-Y86 HydrophobicContact CG-CE1 3.66Å; M84-Y86 HydrophobicContact CG-CE2 3.72Å; M84-Y86 VanDerWaalsContact CG-OH 3.23Å; M84-Y86 WeakPolarHBondContact CG-OH 3.36Å; Y86-W97 HydrophobicContact CD2-CZ3 4.46Å; Y86-W97 HydrophobicContact CG-CE3 4.15Å; Y86-W97 HydrophobicContact CG-CZ3 4.29Å
87C94.6Very high86.1Confident16 Ų1661.2 Ų61.211%0.10830%0.301CS..EExtended strand (participates in β ladder)trans-97.5143159.354.30000109.1C14 V26 D27 W28 G98C14-C87 HydrophobicContact CB-CB 3.44Å; C14-C87 VanDerWaalsContact CB-CB 3.44Å; C14-C87 WeakPolarHBondContact CB-SG 3.5Å; C14-C87 WeakPolarHBondContact SG-CB 3.39Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.72Å; V26-C87 HydrophobicContact CG1-CB 4Å; D27-C87 CarbonylContact O-C 3.59Å; D27-C87 VanDerWaalsContact O-CA 3.23Å; D27-C87 WeakPolarHBondContact O-CA 3.4Å; W28-C87 HydrophobicContact CD2-CB 4.49Å; W28-C87 HydrophobicContact CE3-CB 4.32Å; W28-C87 HydrophobicContact CH2-CB 4.29Å; W28-C87 HydrophobicContact CZ2-CB 4.44Å; W28-C87 HydrophobicContact CZ3-CB 4.22Å; C87-G98 PolarHBondContact O-N 3.38Å
88A93.1Very high86.1Confident3 Ų362.5 Ų62.53%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-133.7154.7174.800000111.2V26 D27 M94 Y96 W97V26-A88 CarbonylContact C-O 3.56Å; V26-A88 VanDerWaalsContact CA-O 3.32Å; V26-A88 WeakPolarHBondContact CA-O 3.29Å; D27-A88 HydrophobicContact CB-CB 4.42Å; D27-A88 PolarHBondContact N-O 3.11Å; D27-A88 PolarHBondContact O-N 3.22Å; A88-M94 HydrophobicContact CB-CB 3.88Å; A88-M94 HydrophobicContact CB-CG 3.97Å; A88-M94 HydrophobicContact CB-SD 4.42Å; A88-Y96 CarbonylContact C-O 3.43Å; A88-Y96 WeakPolarHBondContact CA-O 3.33Å; A88-Y96 WeakPolarHBondContact CB-O 3.28Å; A88-W97 HydrophobicContact CB-CD2 3.9Å; A88-W97 HydrophobicContact CB-CE3 4.18Å; A88-W97 HydrophobicContact CB-CG 4.28Å; A88-W97 HydrophobicContact CB-CZ2 4.26Å; A88-W97 HydrophobicContact CB-CZ3 4.48Å
89S88.9Confident86.1Confident5 Ų567.3 Ų67.34%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-147.3155.2179-169.50000111.7F19 G25 D95 Y96F19-S89 VanDerWaalsContact CZ-OG 3.28Å; F19-S89 WeakPolarHBondContact CZ-OG 3.48Å; G25-S89 WeakPolarHBondContact O-CB 3.47Å; G25-S89 PolarHBondContact O-OG 2.81Å; S89-D95 PolarHBondContact O-N 3.3Å; S89-Y96 PolarHBondContact N-O 3.36Å; S89-Y96 WeakPolarHBondContact O-CD2 3.35Å; S89-Y96 PolarHBondContact O-N 3.36Å
90G74.3Confident86.2Confident15 Ų1564.8 Ų64.816%0.15533%0.327CS..  trans170.1165.9169.400000111.7A93G90-A93 WeakPolarHBondContact CA-O 3.47Å; G90-A93 PolarHBondContact N-O 3.02Å
91N62.6Low86.5Confident91 Ų9161.2 Ų61.249%0.48731%0.309SS..SBendtrans-71-31.8-175.7-91.7-41.8000112.8Y24Y24-N91 HydrophobicContact CE1-CB 4.24Å; Y24-N91 WeakPolarHBondContact CE1-ND2 3.26Å; Y24-N91 WeakPolarHBondContact CE1-OD1 3.48Å; Y24-N91 PolarHBondContact OH-ND2 2.79Å
92Y61.7Low86.6Confident227 Ų22763.9 Ų63.989%0.8933%0.328SS*.SBendtrans-144.8-5.1-175.7-57.7-73.9000113.8
93A65.7Low86.5Confident49 Ų4962.2 Ų62.241%0.40532%0.318SS..SBendtrans-151.5164.7179.600000110.2G90 D95G90-A93 WeakPolarHBondContact CA-O 3.47Å; G90-A93 PolarHBondContact N-O 3.02Å; A93-D95 WeakPolarHBondContact CB-OD1 3.5Å; A93-D95 PolarHBondContact O-N 3.04Å
94M77.1Confident86.4Confident65 Ų6565 Ų6532%0.3233%0.334SS..  trans-79.267.3173.6-67.4172.9-173.200109.5D27 V29 W39 A88 W97D27-M94 HydrophobicContact CB-CE 3.74Å; D27-M94 HydrophobicContact CB-CG 4.44Å; V29-M94 HydrophobicContact CG2-CE 4.09Å; V29-M94 HydrophobicContact CG2-SD 3.97Å; W39-M94 VanDerWaalsContact CD1-CE 3.48Å; A88-M94 HydrophobicContact CB-CB 3.88Å; A88-M94 HydrophobicContact CB-CG 3.97Å; A88-M94 HydrophobicContact CB-SD 4.42Å; M94-W97 HydrophobicContact CB-CZ2 3.8Å; M94-W97 HydrophobicContact CG-CZ2 4.39Å; M94-W97 PolarHBondContact O-NE1 3.3Å; M94-W97 HydrophobicContact SD-CH2 4.04Å; M94-W97 HydrophobicContact SD-CZ2 3.77Å
95D79.8Confident86Confident107 Ų10762.3 Ų62.357%0.57232%0.321SS*.  trans-79.2-28.7-172.2-61.2-42.5000112.5S89 A93S89-D95 PolarHBondContact O-N 3.3Å; A93-D95 WeakPolarHBondContact CB-OD1 3.5Å; A93-D95 PolarHBondContact O-N 3.04Å
96Y86.3Confident85.4Confident161 Ų16164.4 Ų64.463%0.63134%0.336SS*.EExtended strand (participates in β ladder)trans-114.6126.1-179.9-57.8-75.2000110.5A88 S89A88-Y96 CarbonylContact C-O 3.43Å; A88-Y96 WeakPolarHBondContact CA-O 3.33Å; A88-Y96 WeakPolarHBondContact CB-O 3.28Å; S89-Y96 PolarHBondContact N-O 3.36Å; S89-Y96 WeakPolarHBondContact O-CD2 3.35Å; S89-Y96 PolarHBondContact O-N 3.36Å
97W91.1Very high84.1Confident110 Ų11070 Ų7042%0.41738%0.382SS..EExtended strand (participates in β ladder)trans-117.8136.9179.5-7071.6000111.1V29 L37 Y86 A88 M94V29-W97 HydrophobicContact CB-CH2 4Å; V29-W97 HydrophobicContact CB-CZ3 3.83Å; V29-W97 HydrophobicContact CG1-CH2 3.94Å; V29-W97 HydrophobicContact CG1-CZ3 3.95Å; V29-W97 HydrophobicContact CG2-CH2 3.82Å; V29-W97 HydrophobicContact CG2-CZ3 4.07Å; L37-W97 HydrophobicContact CD1-CH2 3.86Å; L37-W97 HydrophobicContact CD1-CZ2 4.47Å; L37-W97 HydrophobicContact CD1-CZ3 4.39Å; Y86-W97 HydrophobicContact CD2-CZ3 4.46Å; Y86-W97 HydrophobicContact CG-CE3 4.15Å; Y86-W97 HydrophobicContact CG-CZ3 4.29Å; A88-W97 HydrophobicContact CB-CD2 3.9Å; A88-W97 HydrophobicContact CB-CE3 4.18Å; A88-W97 HydrophobicContact CB-CG 4.28Å; A88-W97 HydrophobicContact CB-CZ2 4.26Å; A88-W97 HydrophobicContact CB-CZ3 4.48Å; M94-W97 HydrophobicContact CB-CZ2 3.8Å; M94-W97 HydrophobicContact CG-CZ2 4.39Å; M94-W97 PolarHBondContact O-NE1 3.3Å; M94-W97 HydrophobicContact SD-CH2 4.04Å; M94-W97 HydrophobicContact SD-CZ2 3.77Å
98G90.6Very high83.6Confident29 Ų2972.7 Ų72.730%0.29940%0.395SS..  trans-70.2160.9167.300000111.6C87 G100C87-G98 PolarHBondContact O-N 3.38Å; G98-G100 PolarHBondContact O-N 3.33Å
99Q91.6Very high83.1Confident199 Ų19976.4 Ų76.493%0.9342%0.415SS*.  trans-62.5-16.2179.9-67.3-175-12.600114.2
100G92.8Very high82.8Confident25 Ų2580.3 Ų80.326%0.25844%0.436SS..  trans91.4162.7-178.500000113.2Y85 G98Y85-G100 CarbonylContact O-C 3.53Å; Y85-G100 WeakPolarHBondContact O-CA 3.46Å; G98-G100 PolarHBondContact O-N 3.33Å
101T94.6Very high83.3Confident34 Ų3484.2 Ų84.221%0.20945%0.453CS..EExtended strand (participates in β ladder)trans-137118178-80.70000108.7P1 I12 Y85 V103P1-T101 HydrophobicContact CB-CG2 3.38Å; P1-T101 HydrophobicContact CG-CG2 3.38Å; I12-T101 HydrophobicContact CD1-CG2 4.4Å; I12-T101 HydrophobicContact CG2-CG2 3.91Å; Y85-T101 PolarHBondContact N-O 3.46Å; Y85-T101 PolarHBondContact O-N 2.9Å; T101-V103 HydrophobicContact CG2-CG2 4.18Å
102S94.3Very high84.5Confident59 Ų5983.8 Ų83.841%0.41345%0.45SS..EExtended strand (participates in β ladder)trans-76125.9178.5-167.30000109.7P1 M84P1-S102 WeakPolarHBondContact CB-O 3.38Å; M84-S102 VanDerWaalsContact SD-CA 3.51Å; M84-S102 PolarHBondContact SD-N 2.86Å
103V93.2Very high86.1Confident1 Ų174.2 Ų74.21%0.00642%0.421CS..EExtended strand (participates in β ladder)trans-119.1127.6172.9177.70000108.3L10 I12 T82 A83 Y85 T101 V105L10-V103 HydrophobicContact CD2-CB 4.3Å; L10-V103 HydrophobicContact CD2-CG1 3.62Å; L10-V103 HydrophobicContact CD2-CG2 3.62Å; I12-V103 HydrophobicContact CD1-CG2 3.78Å; I12-V103 HydrophobicContact CG1-CG2 4.44Å; T82-V103 WeakPolarHBondContact CA-O 3.49Å; A83-V103 PolarHBondContact N-O 2.82Å; A83-V103 VanDerWaalsContact N-O 3.11Å; A83-V103 PolarHBondContact O-N 3.36Å; Y85-V103 HydrophobicContact CD2-CB 3.9Å; Y85-V103 HydrophobicContact CD2-CG2 3.66Å; Y85-V103 HydrophobicContact CE2-CB 3.73Å; Y85-V103 HydrophobicContact CE2-CG1 4.41Å; Y85-V103 HydrophobicContact CE2-CG2 3.91Å; T101-V103 HydrophobicContact CG2-CG2 4.18Å; V103-V105 HydrophobicContact CG1-CG2 4.2Å
104T92.4Very high87.5Confident61 Ų6176 Ų7637%0.37442%0.422SS..EExtended strand (participates in β ladder)trans-120.1121176.2-54.50000108.8L3 V4 T82L3-T104 HydrophobicContact CD1-CG2 3.95Å; V4-T104 PolarHBondContact N-O 2.95Å; T82-T104 HydrophobicContact CG2-CG2 4.41Å
105V88.6Confident88.3Confident6 Ų676.8 Ų76.84%0.03643%0.43CS..EExtended strand (participates in β ladder)trans-109.5110.9175.8-174.30000108V4 P6 L77 Q78 D81 T82 V103V4-V105 WeakPolarHBondContact O-CA 3.33Å; P6-V105 HydrophobicContact CG-CG1 4.26Å; L77-V105 HydrophobicContact CB-CG1 4.32Å; L77-V105 HydrophobicContact CB-CG2 4.19Å; L77-V105 HydrophobicContact CD1-CG2 4.33Å; L77-V105 HydrophobicContact CD2-CG2 4.3Å; Q78-V105 WeakPolarHBondContact O-CB 3.42Å; D81-V105 HydrophobicContact CB-CG2 4.45Å; T82-V105 PolarHBondContact OG1-N 2.79Å; T82-V105 PolarHBondContact OG1-O 3.17Å; V103-V105 HydrophobicContact CG1-CG2 4.2Å
106S83.6Confident89Confident45 Ų4574.3 Ų74.332%0.31542%0.418SS..  trans-128.1143.4179.366.90000110.7L3 V4 P6L3-S106 WeakPolarHBondContact CD1-OG 3.4Å; V4-S106 PolarHBondContact O-N 2.59Å; P6-S106 WeakPolarHBondContact CD-O 3.24Å
107S69.6Low89.3Confident162 Ų16266.5 Ų66.5100%1.13340%0.399SS*.  trans-69017156.50000112.7

Retrieved 107 of 107 residues in 23 ms (Link to these results)

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