X5J4S8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 103 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
1P50.3Low72Confident157 Ų15784.3 Ų84.3100%1.01952%0.515SS*.  0113.90-3.924.1000109.9
2G60.1Low73.7Confident37 Ų3778 Ų7838%0.38148%0.476SS..EExtended strand (participates in β ladder)trans-93.4117.5173.600000109.5S100 T102G2-S100 PolarHBondContact N-O 3.4Å; G2-T102 PolarHBondContact O-N 2.59Å
3L65.2Low75.3Confident146 Ų14677.1 Ų77.176%0.76447%0.47SS*.EExtended strand (participates in β ladder)trans-83.3121.5166.5-176.670.4000107.4
4V68.2Low76.6Confident20 Ų2072.4 Ų72.412%0.12144%0.443CS..  trans-123.5136.6-178.3-71.90000108.3L10 L77 V101 T102 V103V4-L10 HydrophobicContact CG1-CD1 4.49Å; V4-L77 HydrophobicContact CB-CD1 3.85Å; V4-L77 HydrophobicContact CG1-CD1 4.43Å; V4-L77 HydrophobicContact CG2-CD1 3.53Å; V4-V101 HydrophobicContact CG2-CG1 3.68Å; V4-T102 WeakPolarHBondContact CG2-O 3.42Å; V4-T102 PolarHBondContact N-O 3.35Å; V4-T102 VanDerWaalsContact N-O 3.08Å; V4-V103 HydrophobicContact CG2-CB 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.83Å; V4-V103 WeakPolarHBondContact O-CA 3.39Å
5Q69.9Low77.8Confident135 Ų13573.7 Ų73.763%0.63145%0.451SS*.  trans-76.3150.7179.2-70.3-175-9.300111S7 Q8Q5-S7 PolarHBondContact O-N 2.99Å; Q5-Q8 HydrophobicContact CB-CG 4.12Å; Q5-Q8 WeakPolarHBondContact O-CB 3.49Å; Q5-Q8 PolarHBondContact O-N 3.31Å
6P62.8Low78.5Confident82 Ų8269.9 Ų69.953%0.53243%0.427SS..THydrogen-bonded Turntrans-51.9139.1169.5-2432000110.7Q8 V103P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.24Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.18Å
7S67.8Low79Confident102 Ų10272 Ų7271%0.71345%0.446SS*.THydrogen-bonded Turntrans74.9-3.5-174.9-38.50000116.7Q5 L77Q5-S7 PolarHBondContact O-N 2.99Å; S7-L77 PolarHBondContact N-O 2.74Å
8Q81.3Confident79.4Confident90 Ų9072.6 Ų72.642%0.42147%0.468SS..PPolyproline II helixtrans-76.2163.7166.4-72.6-175.5-26.900111.1Q5 P6 L77Q5-Q8 HydrophobicContact CB-CG 4.12Å; Q5-Q8 WeakPolarHBondContact O-CB 3.49Å; Q5-Q8 PolarHBondContact O-N 3.31Å; P6-Q8 VanDerWaalsContact C-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.24Å; Q8-L77 WeakPolarHBondContact O-CD1 3.04Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3Å
9S86.3Confident79.7Confident63 Ų6370.7 Ų70.744%0.44145%0.452SS..PPolyproline II helixtrans-98.9129.4172.952.60000110.6M74 N75S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.23Å; S9-M74 WeakPolarHBondContact CA-O 3.35Å; S9-N75 WeakPolarHBondContact CB-OD1 3.03Å
10L88.1Confident80.2Confident14 Ų1469.8 Ų69.87%0.07345%0.448CS..EExtended strand (participates in β ladder)trans-87.1136.2173.3174.266.4000109.2V4 I12 F72 K73 M74 L77 Y85 V101V4-L10 HydrophobicContact CG1-CD1 4.49Å; L10-I12 HydrophobicContact CD1-CG1 4Å; L10-I12 HydrophobicContact CD2-CD1 3.97Å; L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CD1 4.28Å; L10-I12 HydrophobicContact CG-CG1 3.88Å; L10-F72 HydrophobicContact CD2-CE1 4.47Å; L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.24Å; L10-K73 WeakPolarHBondContact O-CA 3.23Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.11Å; L10-M74 PolarHBondContact O-N 2.91Å; L10-L77 HydrophobicContact CB-CD1 3.62Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.22Å; L10-Y85 HydrophobicContact CD2-CE2 4.28Å; L10-V101 HydrophobicContact CD1-CG1 4.07Å; L10-V101 HydrophobicContact CD1-CG2 3.83Å; L10-V101 HydrophobicContact CD2-CB 4.47Å; L10-V101 HydrophobicContact CD2-CG1 4.04Å; L10-V101 HydrophobicContact CD2-CG2 3.98Å
11S91.4Very high80.8Confident81 Ų8166.6 Ų66.657%0.56643%0.427SS*.EExtended strand (participates in β ladder)trans-127.7120.2169.7-172.80000109.1F72S11-F72 CarbonylContact C-O 3.57Å; S11-F72 WeakPolarHBondContact CA-O 3.27Å
12I92.4Very high82.8Confident9 Ų963 Ų635%0.04640%0.403CS..EExtended strand (participates in β ladder)trans-113.9133177.1-49.1-178.2000108.3L10 W28 F71 F72 Y85 V101L10-I12 HydrophobicContact CD1-CG1 4Å; L10-I12 HydrophobicContact CD2-CD1 3.97Å; L10-I12 HydrophobicContact CD2-CG1 4.14Å; L10-I12 HydrophobicContact CG-CD1 4.28Å; L10-I12 HydrophobicContact CG-CG1 3.88Å; I12-W28 HydrophobicContact CB-CH2 3.96Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CD1-CZ3 4.5Å; I12-W28 HydrophobicContact CG2-CH2 3.71Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; I12-F71 WeakPolarHBondContact O-CA 3.32Å; I12-F72 HydrophobicContact CB-CB 4.47Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.12Å; I12-F72 HydrophobicContact CG1-CD1 4.2Å; I12-F72 PolarHBondContact N-O 3.11Å; I12-F72 PolarHBondContact O-N 2.81Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.11Å; I12-Y85 HydrophobicContact CD1-CG 3.57Å; I12-V101 HydrophobicContact CD1-CG2 4.39Å
13T94.7Very high84.3Confident66 Ų6664.8 Ų64.841%0.40541%0.409SS..EExtended strand (participates in β ladder)trans-106.6127.6172.8-55.40000109.3Q69 F71T13-Q69 HydrophobicContact CG2-CB 4.16Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å
14C93.6Very high85.6Confident12 Ų1262.3 Ų62.38%0.08139%0.39CS..EExtended strand (participates in β ladder)trans-107.4110.4169.2176.30000108.7W28 Q69 V70 C87C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.73Å; C14-Q69 CarbonylContact O-C 3.59Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.13Å; C14-C87 HydrophobicContact CB-CB 3.52Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.37Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.06Å
15T94.1Very high86.8Confident92 Ų9261.5 Ų61.556%0.56439%0.386SS*.EExtended strand (participates in β ladder)trans-86.6119.8171.9-54.10000108.4Q69T15-Q69 HydrophobicContact CG2-CG 4.31Å; T15-Q69 PolarHBondContact OG1-NE2 3.39Å
16V89.9Confident88Confident13 Ų1355.2 Ų55.28%0.07936%0.356CS..  trans-91.3140.8179.5-55.60000110.6F19 L21 V26 S68V16-F19 HydrophobicContact CB-CE1 3.84Å; V16-F19 HydrophobicContact CB-CE2 4.06Å; V16-F19 HydrophobicContact CB-CZ 3.59Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4Å; V16-F19 HydrophobicContact CG1-CZ 3.42Å; V16-F19 VanDerWaalsContact CG1-CZ 3.42Å; V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 4.22Å; V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.89Å; V16-L21 HydrophobicContact CG2-CD1 4.16Å; V16-L21 HydrophobicContact CG2-CD2 3.58Å; V16-L21 HydrophobicContact CG2-CG 3.63Å; V16-V26 HydrophobicContact CG1-CG2 4.31Å; V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 3.45Å
17S87.3Confident89.5Confident105 Ų10553 Ų5373%0.73434%0.339SS*.  trans-136.5145.4172.159.10000108.5
18G84.8Confident90.9Very high83 Ų8348.2 Ų48.286%0.85631%0.305SS*.SBendtrans87.4-4-178.300000116
19F86.3Confident91.5Very high36 Ų3644.4 Ų44.416%0.15829%0.288CS..SBendtrans-152162.5170.467.3-88.4000112.3V16 L21 Y24 V26 R89V16-F19 HydrophobicContact CB-CE1 3.84Å; V16-F19 HydrophobicContact CB-CE2 4.06Å; V16-F19 HydrophobicContact CB-CZ 3.59Å; V16-F19 HydrophobicContact CG1-CE1 4.06Å; V16-F19 HydrophobicContact CG1-CE2 4Å; V16-F19 HydrophobicContact CG1-CZ 3.42Å; V16-F19 VanDerWaalsContact CG1-CZ 3.42Å; V16-F19 HydrophobicContact CG2-CE2 4.18Å; V16-F19 HydrophobicContact CG2-CZ 4.22Å; F19-L21 HydrophobicContact CE2-CD2 4.03Å; F19-Y24 HydrophobicContact CB-CD2 3.92Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; F19-V26 HydrophobicContact CE2-CG2 4Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; F19-R89 HydrophobicContact CD1-CG 4.23Å; F19-R89 HydrophobicContact CD2-CG 4.04Å; F19-R89 HydrophobicContact CE1-CB 3.99Å; F19-R89 HydrophobicContact CE1-CG 4.05Å; F19-R89 HydrophobicContact CE2-CB 4.38Å; F19-R89 HydrophobicContact CE2-CG 3.84Å; F19-R89 HydrophobicContact CG-CG 4.22Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.83Å
20S90.3Very high91.9Very high52 Ų5241.9 Ų41.936%0.36427%0.269SS..  trans-94.4134.5176.1-177.50000112.5T22 S23 Y24S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 PolarHBondContact OG-OG1 3.01Å; S20-S23 PolarHBondContact O-N 3.09Å; S20-Y24 PolarHBondContact O-N 3Å; S20-Y24 VanDerWaalsContact O-N 3.13Å
21L92.3Very high92.2Very high4 Ų444.7 Ų44.72%0.02128%0.282CS..THydrogen-bonded Turntrans-67.1-12.7172.5-65.5-178.1000114V16 F19 S23 V26 K63 N65 V70V16-L21 HydrophobicContact CB-CD2 4.36Å; V16-L21 HydrophobicContact CG1-CD2 3.89Å; V16-L21 HydrophobicContact CG2-CD1 4.16Å; V16-L21 HydrophobicContact CG2-CD2 3.58Å; V16-L21 HydrophobicContact CG2-CG 3.63Å; F19-L21 HydrophobicContact CE2-CD2 4.03Å; L21-S23 VanDerWaalsContact C-N 3.35Å; L21-V26 HydrophobicContact CD2-CG2 3.63Å; L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.82Å; L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.38Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.42Å
22T92.3Very high92.3Very high82 Ų8241.3 Ų41.350%0.50326%0.258SS..THydrogen-bonded Turntrans-83.6-13.717259.80000112.8S20 S45 N65S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 PolarHBondContact OG-N 3.32Å; S20-T22 PolarHBondContact OG-OG1 3.01Å; T22-S45 WeakPolarHBondContact O-CB 3.49Å; T22-N65 HydrophobicContact CG2-CB 4.34Å
23S91.9Very high92.3Very high73 Ų7346 Ų4651%0.5129%0.289SS..THydrogen-bonded Turntrans-110.4-27.4-177.5-50.90000112.6S20 L21S20-S23 PolarHBondContact O-N 3.09Å; L21-S23 VanDerWaalsContact C-N 3.35Å
24Y91.8Very high92.1Very high95 Ų9547.3 Ų47.337%0.37332%0.315SS..  trans-127.2149.7-177.4-62.4-83.4000112.3F19 S20 R89F19-Y24 HydrophobicContact CB-CD2 3.92Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 HydrophobicContact CD2-CD2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.35Å; S20-Y24 PolarHBondContact O-N 3Å; S20-Y24 VanDerWaalsContact O-N 3.13Å; Y24-R89 HydrophobicContact CD1-CG 4.15Å; Y24-R89 HydrophobicContact CG-CG 3.97Å; Y24-R89 PolarHBondContact OH-NH1 2.79Å
25G93.3Very high92Very high3 Ų352.3 Ų52.33%0.03134%0.336CS..  trans-81.9163.3165.800000112I43 T90G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.32Å; G25-T90 VanDerWaalsContact C-OG1 3.29Å; G25-T90 VanDerWaalsContact CA-OG1 3.23Å; G25-T90 WeakPolarHBondContact CA-OG1 3.33Å; G25-T90 PolarHBondContact N-OG1 2.7Å; G25-T90 PolarHBondContact O-N 3.37Å; G25-T90 PolarHBondContact O-OG1 2.85Å
26V95.3Very high91.9Very high2 Ų250.4 Ų50.41%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-128.9120.6176.3179.50000109.1V16 F19 L21 V42 I43 V70 C87 A88V16-V26 HydrophobicContact CG1-CG2 4.31Å; F19-V26 HydrophobicContact CE2-CG2 4Å; F19-V26 HydrophobicContact CZ-CG2 4.09Å; L21-V26 HydrophobicContact CD2-CG2 3.63Å; V26-V42 WeakPolarHBondContact O-CA 3.21Å; V26-V42 WeakPolarHBondContact O-CG2 3.5Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 2.79Å; V26-I43 PolarHBondContact O-N 2.83Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.21Å; V26-V70 HydrophobicContact CG2-CG2 3.85Å; V26-C87 HydrophobicContact CG1-CB 3.93Å; V26-A88 CarbonylContact C-O 3.51Å; V26-A88 WeakPolarHBondContact CA-O 3.48Å
27H95.3Very high92.1Very high35 Ų3554.4 Ų54.416%0.16236%0.355CS..EExtended strand (participates in β ladder)trans-88.8145.5176.8-62.5-102.9000109.9W39 G41 C87 A88 T90H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.2Å; H27-G41 CarbonylContact C-O 3.57Å; H27-G41 WeakPolarHBondContact CA-O 3.05Å; H27-C87 CarbonylContact O-C 3.47Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.4Å; H27-A88 PolarHBondContact N-O 2.86Å; H27-A88 PolarHBondContact O-N 3.25Å; H27-T90 PolarHBondContact NE2-OG1 2.8Å
28W95.4Very high92.4Very high2 Ų252 Ų521%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-108.1130.7167.2-72.894.7000109.3I12 C14 L40 G41 V70 F72 Y86 C87I12-W28 HydrophobicContact CB-CH2 3.96Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CD1-CZ3 4.5Å; I12-W28 HydrophobicContact CG2-CH2 3.71Å; I12-W28 HydrophobicContact CG2-CZ3 3.75Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 3.73Å; W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 3.14Å; W28-G41 PolarHBondContact N-O 2.73Å; W28-G41 PolarHBondContact O-N 2.93Å; W28-V70 HydrophobicContact CZ2-CG1 4.19Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.26Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.94Å; W28-F72 HydrophobicContact CD2-CD2 3.94Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.9Å; W28-F72 HydrophobicContact CE3-CD2 4.42Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.11Å; W28-F72 AromaticContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CE2 4.46Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 4.02Å; W28-Y86 WeakPolarHBondContact CA-O 3.24Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.25Å; W28-C87 HydrophobicContact CH2-CB 4.15Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å
29V94.9Very high92.8Very high10 Ų1052.3 Ų52.36%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-134.4143.6-177-176.80000107.3L37 E38 Y85 Y86 W95V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; V29-Y85 CarbonylContact O-C 3.42Å; V29-Y86 PolarHBondContact N-O 3.13Å; V29-Y86 PolarHBondContact O-N 2.82Å; V29-W95 HydrophobicContact CB-CH2 4.33Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.28Å; V29-W95 HydrophobicContact CG1-CZ3 4.17Å; V29-W95 HydrophobicContact CG2-CH2 4.02Å; V29-W95 HydrophobicContact CG2-CZ3 4.07Å
30R94.4Very high93.2Very high10 Ų1050.6 Ų50.64%0.03830%0.3CS..EExtended strand (participates in β ladder)trans-122.9157.5170.769.8175-169.1178.614.7111.8E38 L40 F55 D81 A83 I84 Y85R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.41Å; R30-E38 PolarHBondContact NH2-OE2 2.68Å; R30-E38 VanDerWaalsContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 2.89Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.07Å; R30-F55 VanDerWaalsContact CZ-CZ 3.44Å; R30-F55 VanDerWaalsContact NH2-CE1 3.29Å; R30-D81 IonicContact NH1-OD1 3.11Å; R30-D81 PolarHBondContact NH1-OD1 3.22Å; R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.36Å; R30-I84 CarbonylContact C-O 3.48Å; R30-I84 WeakPolarHBondContact CA-O 3.47Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.97Å; R30-Y85 HydrophobicContact CB-CG 4.3Å
31Q94.9Very high93.4Very high74 Ų7448.1 Ų48.135%0.34628%0.282SS..EExtended strand (participates in β ladder)trans-130.5108.4172.3-168176.923.700109.4L37 A83 I84 Y86Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.47Å; Q31-A83 VanDerWaalsContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CA 3.29Å; Q31-A83 WeakPolarHBondContact O-CB 3.47Å; Q31-I84 PolarHBondContact N-O 3.12Å; Q31-I84 PolarHBondContact O-N 2.98Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å
32S93.6Very high93.6Very high10 Ų1048 Ų487%0.0728%0.282CS..  trans-77.1152.8171.4-60.50000110.7G34 K35S32-G34 PolarHBondContact O-N 3.24Å; S32-K35 PolarHBondContact O-N 2.86Å
33P91.7Very high93.8Very high107 Ų10744.5 Ų44.570%0.69526%0.26SS*.THydrogen-bonded Turntrans-53.6126.3175.4-25.134.3000111.7K35 T82P33-K35 PolarHBondContact O-N 2.82Å; P33-T82 WeakPolarHBondContact CD-O 3.44Å
34G91.2Very high94Very high93 Ų9345.2 Ų45.296%0.95925%0.252SS*.THydrogen-bonded Turntrans73.76.1-179.400000115.6S32S32-G34 PolarHBondContact O-N 3.24Å
35K91.4Very high94.1Very high118 Ų11843.1 Ų43.151%0.51325%0.251SS..  trans-113.4161.7175.2-63.3-168.4-179.5176.10112.2S32 P33S32-K35 PolarHBondContact O-N 2.86Å; P33-K35 PolarHBondContact O-N 2.82Å
36G92Very high94.1Very high51 Ų5146.6 Ų46.653%0.52629%0.286SS..  trans-71.5-177.9170.700000112.8
37L93.1Very high93.9Very high98 Ų9848.2 Ų48.251%0.51330%0.304SS..EExtended strand (participates in β ladder)trans-70.8126.5173.3-68.7170.9000110.4V29 Q31 Y86 W95V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-L37 HydrophobicContact CG-CD2 4.47Å; L37-Y86 HydrophobicContact CD2-CD2 4.44Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å; L37-W95 HydrophobicContact CD1-CH2 4.03Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å
38E93.6Very high93.9Very high53 Ų5350 Ų5025%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-110.6118.9177.8-62.1-177.3132.400109.6V29 R30V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.35Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 PolarHBondContact N-O 2.82Å; R30-E38 IonicContact NE-OE2 2.89Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.41Å; R30-E38 PolarHBondContact NH2-OE2 2.68Å; R30-E38 VanDerWaalsContact NH2-OE2 3.11Å; R30-E38 PolarHBondContact O-N 2.89Å
39W94.1Very high93.9Very high91 Ų9152.1 Ų52.135%0.34533%0.333SS..EExtended strand (participates in β ladder)trans-74.2132.3174.9-179.974.3000110.9H27 G41 V42 D50 N52H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-CD1 3.92Å; H27-W39 AromaticContact ND1-NE1 3.24Å; H27-W39 PolarHBondContact ND1-NE1 3.2Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.07Å; W39-V42 HydrophobicContact CZ2-CB 4.02Å; W39-V42 HydrophobicContact CZ2-CG1 3.85Å; W39-D50 HydrophobicContact CH2-CB 4.09Å; W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.02Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.39Å; W39-N52 PolarHBondContact O-ND2 2.9Å
40L94.4Very high94Very high0 Ų055.5 Ų55.50%035%0.351CS..EExtended strand (participates in β ladder)trans-105-38.2-177.1-65.5174.9000112.8W28 R30 N52 F55 L59 F72 Y85W28-L40 HydrophobicContact CB-CB 4.24Å; W28-L40 WeakPolarHBondContact O-CB 3.33Å; W28-L40 PolarHBondContact O-N 3.14Å; R30-L40 HydrophobicContact CB-CD1 3.9Å; R30-L40 HydrophobicContact CB-CG 4.41Å; R30-L40 HydrophobicContact CG-CD1 4Å; R30-L40 HydrophobicContact CG-CD2 3.97Å; R30-L40 HydrophobicContact CG-CG 4.07Å; L40-N52 PolarHBondContact O-N 3.26Å; L40-F55 HydrophobicContact CD2-CD1 4.32Å; L40-F55 HydrophobicContact CD2-CD2 3.7Å; L40-F55 HydrophobicContact CD2-CE2 3.92Å; L40-F55 HydrophobicContact CD2-CG 3.93Å; L40-F55 HydrophobicContact CD2-CZ 4.35Å; L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.47Å; L40-F72 HydrophobicContact CB-CE2 4.27Å; L40-F72 HydrophobicContact CD1-CE2 3.91Å; L40-F72 HydrophobicContact CD1-CZ 3.7Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å
41G95.3Very high94Very high0 Ų057.6 Ų57.60%036%0.359CS..EExtended strand (participates in β ladder)trans172.1177.8-177.200000112.6H27 W28 W39 D50H27-G41 CarbonylContact C-O 3.57Å; H27-G41 WeakPolarHBondContact CA-O 3.05Å; W28-G41 PolarHBondContact N-O 2.73Å; W28-G41 PolarHBondContact O-N 2.93Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.07Å; G41-D50 CarbonylContact C-O 3.46Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å
42V95.7Very high93.9Very high1 Ų156.3 Ų56.31%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-145.1147.1177.565.60000109.5V26 W39 W44 T49 D50V26-V42 WeakPolarHBondContact O-CA 3.21Å; V26-V42 WeakPolarHBondContact O-CG2 3.5Å; W39-V42 HydrophobicContact CZ2-CB 4.02Å; W39-V42 HydrophobicContact CZ2-CG1 3.85Å; V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.34Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 3.07Å; V42-D50 PolarHBondContact O-N 2.89Å
43I96.6Very high93.7Very high9 Ų959.9 Ų59.95%0.04639%0.385CS..EExtended strand (participates in β ladder)trans-111.9123.4159.9-171.5161.3000109G25 V26 S48 T49 I61 K63 V70G25-I43 CarbonylContact C-O 3.55Å; G25-I43 WeakPolarHBondContact CA-O 3.32Å; V26-I43 HydrophobicContact CB-CG2 4.39Å; V26-I43 PolarHBondContact N-O 2.79Å; V26-I43 PolarHBondContact O-N 2.83Å; I43-S48 WeakPolarHBondContact CA-O 3.37Å; I43-T49 HydrophobicContact CB-CG2 3.89Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å
44W95.9Very high93.5Very high88 Ų8858.2 Ų58.233%0.33338%0.38SS..  trans-78.5167-178.7-62.2107.2000111.8V42 G46 G47 S48 D50 K63 T90V42-W44 HydrophobicContact CG1-CD2 4.3Å; V42-W44 HydrophobicContact CG1-CZ2 3.73Å; V42-W44 HydrophobicContact CG2-CD2 4.26Å; V42-W44 HydrophobicContact CG2-CE3 4.34Å; V42-W44 HydrophobicContact CG2-CZ2 4.45Å; V42-W44 HydrophobicContact CG2-CZ3 4.47Å; W44-G46 PolarHBondContact O-N 2.92Å; W44-G47 PolarHBondContact O-N 3.35Å; W44-S48 VanDerWaalsContact CD1-OG 3.3Å; W44-S48 PolarHBondContact N-O 2.83Å; W44-D50 PolarHBondContact NE1-OD2 3.03Å; W44-K63 PolarHBondContact O-NZ 2.68Å; W44-T90 HydrophobicContact CZ3-CG2 3.96Å
45S93.8Very high93.1Very high51 Ų5154.7 Ų54.736%0.35734%0.338SS..THydrogen-bonded Turntrans-57.3-35.9175.6540000112.4T22 G47 K63T22-S45 WeakPolarHBondContact O-CB 3.49Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.84Å; S45-K63 VanDerWaalsContact C-NZ 3.27Å; S45-K63 PolarHBondContact O-NZ 2.92Å
46G92.8Very high92.9Very high75 Ų7553.6 Ų53.677%0.77334%0.337SS*.THydrogen-bonded Turntrans-73.6-8.6173.500000115.3W44W44-G46 PolarHBondContact O-N 2.92Å
47G92.8Very high92.8Very high37 Ų3756.4 Ų56.438%0.38135%0.349SS..SBendtrans91.2-4.9178.500000115.3W44 S45W44-G47 PolarHBondContact O-N 3.35Å; S45-G47 VanDerWaalsContact C-N 3.26Å; S45-G47 PolarHBondContact O-N 2.84Å
48S95Very high92.7Very high73 Ų7353.2 Ų53.251%0.5133%0.33SS..  trans-63150.5167.450.20000110.9I43 W44I43-S48 WeakPolarHBondContact CA-O 3.37Å; W44-S48 VanDerWaalsContact CD1-OG 3.3Å; W44-S48 PolarHBondContact N-O 2.83Å
49T95.9Very high92.6Very high46 Ų4651.4 Ų51.428%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-124.6139.5179.949.90000110.8V42 I43 Y51 I61V42-T49 VanDerWaalsContact O-CA 3.23Å; V42-T49 WeakPolarHBondContact O-CA 3.41Å; I43-T49 HydrophobicContact CB-CG2 3.89Å; I43-T49 HydrophobicContact CD1-CG2 3.94Å; I43-T49 HydrophobicContact CG1-CG2 3.78Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.26Å; T49-I61 HydrophobicContact CG2-CB 4.26Å
50D95.4Very high92.6Very high81 Ų8149.8 Ų49.843%0.43332%0.324SS..EExtended strand (participates in β ladder)trans-120.3146.5166.9-59.4-52.3000109.1W39 G41 V42 W44W39-D50 HydrophobicContact CH2-CB 4.09Å; G41-D50 CarbonylContact C-O 3.46Å; G41-D50 WeakPolarHBondContact CA-O 3.48Å; V42-D50 HydrophobicContact CG1-CB 3.91Å; V42-D50 PolarHBondContact N-O 3.07Å; V42-D50 PolarHBondContact O-N 2.89Å; W44-D50 PolarHBondContact NE1-OD2 3.03Å
51Y94.8Very high92.7Very high53 Ų5350.2 Ų50.221%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-127.8151.9-177.1-59.4-85000110.4T49 A53 I56 L59 I61T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.26Å; Y51-A53 PolarHBondContact O-N 3.37Å; Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.05Å; Y51-I56 HydrophobicContact CG-CG1 4.06Å; Y51-L59 HydrophobicContact CD1-CB 3.72Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.3Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.93Å; Y51-I61 VanDerWaalsContact OH-N 3.17Å
52N92.7Very high92.7Very high48 Ų4852.9 Ų52.926%0.25735%0.345SS..  trans-68.4128.5165.5-176.7-29.1000109.3W39 L40 A54 F55 I56W39-N52 HydrophobicContact CE3-CB 3.9Å; W39-N52 HydrophobicContact CZ3-CB 4.02Å; W39-N52 VanDerWaalsContact O-CB 3.29Å; W39-N52 WeakPolarHBondContact O-CB 3.39Å; W39-N52 PolarHBondContact O-ND2 2.9Å; L40-N52 PolarHBondContact O-N 3.26Å; N52-A54 PolarHBondContact O-N 2.87Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 WeakPolarHBondContact OD1-CB 3.29Å; N52-A54 PolarHBondContact OD1-N 3.33Å; N52-F55 HydrophobicContact CB-CD2 4.02Å; N52-F55 PolarHBondContact O-N 2.87Å; N52-I56 PolarHBondContact O-N 2.95Å
53A90.1Very high92.7Very high84 Ų8454.9 Ų54.969%0.69435%0.354SS*.THydrogen-bonded Turntrans-54.6-30.2-178.100000113.3Y51 F55Y51-A53 PolarHBondContact O-N 3.37Å; A53-F55 PolarHBondContact O-N 2.92Å
54A86.6Confident92.6Very high72 Ų7256.5 Ų56.560%0.59536%0.363SS*.THydrogen-bonded Turntrans-67.7-22177.900000113.6N52N52-A54 PolarHBondContact O-N 2.87Å; N52-A54 VanDerWaalsContact O-N 3.09Å; N52-A54 WeakPolarHBondContact OD1-CB 3.29Å; N52-A54 PolarHBondContact OD1-N 3.33Å
55F83.8Confident92.5Very high20 Ų2055.8 Ų55.89%0.08837%0.365CS..THydrogen-bonded Turntrans-122.2-9.8-172.5-56.6-79.3000114R30 L40 N52 A53 S57 R58 L59 M74R30-F55 VanDerWaalsContact CZ-CZ 3.44Å; R30-F55 VanDerWaalsContact NH2-CE1 3.29Å; L40-F55 HydrophobicContact CD2-CD1 4.32Å; L40-F55 HydrophobicContact CD2-CD2 3.7Å; L40-F55 HydrophobicContact CD2-CE2 3.92Å; L40-F55 HydrophobicContact CD2-CG 3.93Å; L40-F55 HydrophobicContact CD2-CZ 4.35Å; N52-F55 HydrophobicContact CB-CD2 4.02Å; N52-F55 PolarHBondContact O-N 2.87Å; A53-F55 PolarHBondContact O-N 2.92Å; F55-S57 PolarHBondContact O-N 3Å; F55-R58 PolarHBondContact O-N 3.46Å; F55-L59 HydrophobicContact CB-CD1 3.42Å; F55-L59 VanDerWaalsContact CB-CD1 3.42Å; F55-L59 HydrophobicContact CB-CG 3.77Å; F55-L59 HydrophobicContact CG-CD1 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.73Å; F55-M74 HydrophobicContact CD1-CE 4.2Å
56I87Confident92.4Very high95 Ų9558.3 Ų58.349%0.48738%0.383SS..THydrogen-bonded Turntrans-52.2-33.8-170.9-167.9165.7000114.5Y51 N52 R58Y51-I56 HydrophobicContact CD2-CD1 4.26Å; Y51-I56 HydrophobicContact CD2-CG1 4.05Å; Y51-I56 HydrophobicContact CG-CG1 4.06Å; N52-I56 PolarHBondContact O-N 2.95Å; I56-R58 PolarHBondContact O-N 2.89Å
57S88.8Confident92.4Very high109 Ų10960.8 Ų60.876%0.76237%0.372SS*.THydrogen-bonded Turntrans-69.9-17.1-179.3590000114F55F55-S57 PolarHBondContact O-N 3Å
58R91.7Very high92.4Very high32 Ų3261.2 Ų61.212%0.12137%0.369CS..THydrogen-bonded Turntrans-116.7-12-173.6-59.7-169.3-61.3129.9-0.3113.4F55 I56 M74 N75 S76 D81F55-R58 PolarHBondContact O-N 3.46Å; I56-R58 PolarHBondContact O-N 2.89Å; R58-M74 HydrophobicContact CB-CG 4.43Å; R58-M74 CarbonylContact O-C 3.57Å; R58-M74 WeakPolarHBondContact O-CA 3.28Å; R58-N75 WeakPolarHBondContact CB-O 3.42Å; R58-N75 PolarHBondContact O-N 3.25Å; R58-S76 PolarHBondContact NH1-O 3.21Å; R58-D81 IonicContact CZ-OD1 3.79Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 2.92Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å
59L92.4Very high92.5Very high15 Ų1560 Ų608%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-97.6147.7-173.2-67.5-174.4000113.3L40 Y51 F55 F72 K73 M74L40-L59 HydrophobicContact CB-CD1 4.04Å; L40-L59 WeakPolarHBondContact O-CD1 3.47Å; Y51-L59 HydrophobicContact CD1-CB 3.72Å; Y51-L59 HydrophobicContact CD1-CD1 4.2Å; Y51-L59 HydrophobicContact CE1-CB 3.9Å; F55-L59 HydrophobicContact CB-CD1 3.42Å; F55-L59 VanDerWaalsContact CB-CD1 3.42Å; F55-L59 HydrophobicContact CB-CG 3.77Å; F55-L59 HydrophobicContact CG-CD1 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 2.73Å; L59-F72 HydrophobicContact CD1-CE2 4.12Å; L59-F72 HydrophobicContact CD2-CD2 4.47Å; L59-F72 HydrophobicContact CD2-CE1 4.26Å; L59-F72 HydrophobicContact CD2-CE2 3.38Å; L59-F72 HydrophobicContact CD2-CZ 3.25Å; L59-F72 HydrophobicContact CG-CE2 4.29Å; L59-K73 CarbonylContact C-O 3.54Å; L59-K73 WeakPolarHBondContact CA-O 3.47Å; L59-M74 HydrophobicContact CD2-CB 3.84Å; L59-M74 HydrophobicContact CD2-CE 3.39Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.47Å; L59-M74 HydrophobicContact CG-CE 4.38Å
60S94.2Very high92.5Very high57 Ų5757.8 Ų57.840%0.39934%0.342SS..EExtended strand (participates in β ladder)trans-144.7126.9166.7-179.10000109.2K73S60-K73 PolarHBondContact N-O 3.19Å; S60-K73 PolarHBondContact O-N 3.45Å
61I95.6Very high92.5Very high9 Ų956.4 Ų56.45%0.04633%0.332CS..EExtended strand (participates in β ladder)trans-116.1134175.8-59161.7000108.4I43 T49 Y51 V70 F71 F72I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.46Å; I43-I61 HydrophobicContact CG2-CG2 3.73Å; T49-I61 HydrophobicContact CG2-CB 4.26Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.3Å; Y51-I61 HydrophobicContact CE1-CD1 3.74Å; Y51-I61 HydrophobicContact CE1-CG1 3.85Å; Y51-I61 PolarHBondContact OH-N 2.93Å; Y51-I61 VanDerWaalsContact OH-N 3.17Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; I61-F72 HydrophobicContact CG1-CD2 4.01Å
62S95.3Very high92.5Very high56 Ų5653.9 Ų53.939%0.39232%0.322SS..EExtended strand (participates in β ladder)trans-140167.4174.266.60000110.6V70 F71S62-V70 CarbonylContact O-C 3.5Å; S62-V70 WeakPolarHBondContact O-CA 3.45Å; S62-V70 WeakPolarHBondContact O-CG1 3.3Å; S62-F71 PolarHBondContact N-O 2.78Å; S62-F71 PolarHBondContact O-N 3.34Å
63K95.1Very high92.5Very high43 Ų4355.9 Ų55.919%0.18733%0.329CS..EExtended strand (participates in β ladder)trans-141.3150.717771-177.4-173.2178.70111.9L21 I43 W44 S45 N65 Q69 V70L21-K63 HydrophobicContact CB-CD 4.45Å; L21-K63 HydrophobicContact CD1-CB 4.38Å; L21-K63 PolarHBondContact O-NZ 2.82Å; I43-K63 HydrophobicContact CD1-CB 3.97Å; I43-K63 HydrophobicContact CD1-CD 3.89Å; I43-K63 HydrophobicContact CD1-CG 3.7Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.45Å; I43-K63 HydrophobicContact CG2-CD 4.48Å; W44-K63 PolarHBondContact O-NZ 2.68Å; S45-K63 VanDerWaalsContact C-NZ 3.27Å; S45-K63 PolarHBondContact O-NZ 2.92Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 WeakPolarHBondContact CA-O 3.35Å; K63-V70 HydrophobicContact CB-CG2 4.1Å
64D94.9Very high92.6Very high43 Ų4351.9 Ų51.923%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-121.7102.8170.4-175.7-16.4000108.3S66 K67 S68 Q69 F71D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.44Å; D64-S66 PolarHBondContact OD1-OG 3.08Å; D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 PolarHBondContact OD1-N 3.04Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.41Å; D64-K67 WeakPolarHBondContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CG 3.38Å; D64-K67 IonicContact OD2-NZ 3.76Å; D64-S68 PolarHBondContact O-N 3.29Å; D64-Q69 PolarHBondContact N-O 3.24Å; D64-Q69 PolarHBondContact O-N 2.83Å; D64-F71 HydrophobicContact CB-CE2 3.88Å
65N93.1Very high92.8Very high72 Ų7251.4 Ų51.439%0.38528%0.283SS..THydrogen-bonded Turntrans-65.2-31.2-179.9-64.1-18.3000111.9L21 T22 K63 K67 S68L21-N65 VanDerWaalsContact CB-OD1 3.28Å; L21-N65 WeakPolarHBondContact CB-OD1 3.38Å; T22-N65 HydrophobicContact CG2-CB 4.34Å; K63-N65 WeakPolarHBondContact CE-OD1 3.45Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.92Å; N65-S68 PolarHBondContact O-N 3.17Å
66S92.1Very high93Very high105 Ų10553.9 Ų53.973%0.73430%0.303SS*.THydrogen-bonded Turntrans-67.9-31.4-179740000111.9D64D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 3.05Å; D64-S66 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.44Å; D64-S66 PolarHBondContact OD1-OG 3.08Å
67K93.6Very high93.1Very high127 Ų12749.6 Ų49.655%0.55228%0.281SS*.THydrogen-bonded Turntrans-97.8-3.2177.4-63-178.6-170.7166.40113.6D64 N65 Q69D64-K67 HydrophobicContact CB-CB 4.34Å; D64-K67 PolarHBondContact O-N 3.45Å; D64-K67 PolarHBondContact OD1-N 3.04Å; D64-K67 VanDerWaalsContact OD2-CD 3.24Å; D64-K67 WeakPolarHBondContact OD2-CD 3.41Å; D64-K67 WeakPolarHBondContact OD2-CE 3.23Å; D64-K67 WeakPolarHBondContact OD2-CG 3.38Å; D64-K67 IonicContact OD2-NZ 3.76Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 2.92Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.88Å
68S93.6Very high93.1Very high45 Ų4549 Ų4932%0.31527%0.266SS..THydrogen-bonded Turntrans51.744.4-171.1-60.80000111.9V16 D64 N65V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 3.45Å; D64-S68 PolarHBondContact O-N 3.29Å; N65-S68 PolarHBondContact O-N 3.17Å
69Q95.6Very high92.8Very high47 Ų4750.9 Ų50.922%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-122.7141.5-176.6-78.3175.1-1300111.9T13 C14 T15 K63 D64 K67 F71T13-Q69 HydrophobicContact CG2-CB 4.16Å; T13-Q69 HydrophobicContact CG2-CG 3.92Å; C14-Q69 CarbonylContact O-C 3.59Å; C14-Q69 WeakPolarHBondContact O-CA 3.39Å; T15-Q69 HydrophobicContact CG2-CG 4.31Å; T15-Q69 PolarHBondContact OG1-NE2 3.39Å; K63-Q69 CarbonylContact C-O 3.52Å; K63-Q69 WeakPolarHBondContact CA-O 3.35Å; D64-Q69 PolarHBondContact N-O 3.24Å; D64-Q69 PolarHBondContact O-N 2.83Å; K67-Q69 HydrophobicContact CB-CB 4.23Å; K67-Q69 HydrophobicContact CB-CG 4.14Å; K67-Q69 PolarHBondContact O-N 2.88Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å
70V95.5Very high92.6Very high0 Ų055.8 Ų55.80%032%0.315CS..EExtended strand (participates in β ladder)trans-118.3131.8170.3-1770000108.1C14 L21 V26 W28 I43 I61 S62 K63C14-V70 HydrophobicContact CB-CB 4.47Å; C14-V70 PolarHBondContact N-O 2.8Å; C14-V70 PolarHBondContact O-N 3.13Å; L21-V70 HydrophobicContact CD1-CG2 3.88Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.39Å; V26-V70 HydrophobicContact CB-CG2 3.97Å; V26-V70 HydrophobicContact CG1-CB 4.38Å; V26-V70 HydrophobicContact CG1-CG1 4.31Å; V26-V70 HydrophobicContact CG1-CG2 4.21Å; V26-V70 HydrophobicContact CG2-CG2 3.85Å; W28-V70 HydrophobicContact CZ2-CG1 4.19Å; I43-V70 HydrophobicContact CG2-CG1 3.76Å; I61-V70 HydrophobicContact CG2-CG1 4.05Å; S62-V70 CarbonylContact O-C 3.5Å; S62-V70 WeakPolarHBondContact O-CA 3.45Å; S62-V70 WeakPolarHBondContact O-CG1 3.3Å; K63-V70 HydrophobicContact CB-CG2 4.1Å
71F95.3Very high92.4Very high52 Ų5253.2 Ų53.223%0.22830%0.297CS..EExtended strand (participates in β ladder)trans-110134.7-178.6-53.7-84.2000109.4I12 T13 I61 S62 D64 Q69I12-F71 WeakPolarHBondContact O-CA 3.32Å; T13-F71 HydrophobicContact CG2-CD1 3.93Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.45Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å; I61-F71 WeakPolarHBondContact CA-O 3.34Å; S62-F71 PolarHBondContact N-O 2.78Å; S62-F71 PolarHBondContact O-N 3.34Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; Q69-F71 HydrophobicContact CB-CE1 4.36Å; Q69-F71 HydrophobicContact CB-CE2 3.93Å; Q69-F71 HydrophobicContact CB-CZ 3.69Å
72F94.9Very high92.2Very high0 Ų054.4 Ų54.40%031%0.305CS..EExtended strand (participates in β ladder)trans-119.3123.2172.2170.2-90.7000108.7L10 S11 I12 W28 L40 L59 I61 M74 Y85L10-F72 HydrophobicContact CD2-CE1 4.47Å; S11-F72 CarbonylContact C-O 3.57Å; S11-F72 WeakPolarHBondContact CA-O 3.27Å; I12-F72 HydrophobicContact CB-CB 4.47Å; I12-F72 HydrophobicContact CB-CD1 4.44Å; I12-F72 HydrophobicContact CD1-CD1 4.12Å; I12-F72 HydrophobicContact CG1-CD1 4.2Å; I12-F72 PolarHBondContact N-O 3.11Å; I12-F72 PolarHBondContact O-N 2.81Å; W28-F72 HydrophobicContact CB-CD2 3.97Å; W28-F72 HydrophobicContact CB-CE2 4.26Å; W28-F72 HydrophobicContact CD2-CB 3.55Å; W28-F72 AromaticContact CD2-CD2 3.94Å; W28-F72 HydrophobicContact CD2-CD2 3.94Å; W28-F72 AromaticContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CD2-CG 3.91Å; W28-F72 HydrophobicContact CE3-CB 3.9Å; W28-F72 HydrophobicContact CE3-CD2 4.42Å; W28-F72 HydrophobicContact CE3-CG 4.11Å; W28-F72 HydrophobicContact CG-CB 4.11Å; W28-F72 AromaticContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CD2 3.7Å; W28-F72 HydrophobicContact CG-CE2 4.46Å; W28-F72 HydrophobicContact CG-CG 4.18Å; W28-F72 HydrophobicContact CH2-CB 3.81Å; W28-F72 HydrophobicContact CZ2-CB 3.48Å; W28-F72 VanDerWaalsContact CZ2-CB 3.48Å; W28-F72 HydrophobicContact CZ3-CB 4.02Å; L40-F72 HydrophobicContact CB-CE2 4.27Å; L40-F72 HydrophobicContact CD1-CE2 3.91Å; L40-F72 HydrophobicContact CD1-CZ 3.7Å; L59-F72 HydrophobicContact CD1-CE2 4.12Å; L59-F72 HydrophobicContact CD2-CD2 4.47Å; L59-F72 HydrophobicContact CD2-CE1 4.26Å; L59-F72 HydrophobicContact CD2-CE2 3.38Å; L59-F72 HydrophobicContact CD2-CZ 3.25Å; L59-F72 HydrophobicContact CG-CE2 4.29Å; I61-F72 HydrophobicContact CG1-CD2 4.01Å; F72-M74 HydrophobicContact CE1-CB 3.93Å; F72-M74 HydrophobicContact CZ-CB 4.18Å; F72-M74 HydrophobicContact CZ-CE 4.1Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.22Å; F72-Y85 HydrophobicContact CZ-CE1 4.06Å
73K93.4Very high92.1Very high91 Ų9151.9 Ų51.940%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-117.7131.4175.8-169.5177.5-177.3-177.60109.6L10 L59 S60 N75L10-K73 CarbonylContact O-C 3.55Å; L10-K73 VanDerWaalsContact O-CA 3.24Å; L10-K73 WeakPolarHBondContact O-CA 3.23Å; L59-K73 CarbonylContact C-O 3.54Å; L59-K73 WeakPolarHBondContact CA-O 3.47Å; S60-K73 PolarHBondContact N-O 3.19Å; S60-K73 PolarHBondContact O-N 3.45Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å
74M92.3Very high92.1Very high0 Ų052.7 Ų52.70%029%0.293CS..EExtended strand (participates in β ladder)trans-122.6124.3171-177.7-179.1-84.700108.7S9 L10 F55 R58 L59 F72 L77 D81S9-M74 CarbonylContact C-O 3.59Å; S9-M74 VanDerWaalsContact CA-O 3.23Å; S9-M74 WeakPolarHBondContact CA-O 3.35Å; L10-M74 HydrophobicContact CB-CB 4.46Å; L10-M74 PolarHBondContact N-O 3.11Å; L10-M74 PolarHBondContact O-N 2.91Å; F55-M74 HydrophobicContact CD1-CE 4.2Å; R58-M74 HydrophobicContact CB-CG 4.43Å; R58-M74 CarbonylContact O-C 3.57Å; R58-M74 WeakPolarHBondContact O-CA 3.28Å; L59-M74 HydrophobicContact CD2-CB 3.84Å; L59-M74 HydrophobicContact CD2-CE 3.39Å; L59-M74 HydrophobicContact CD2-CG 3.91Å; L59-M74 HydrophobicContact CD2-SD 4.47Å; L59-M74 HydrophobicContact CG-CE 4.38Å; F72-M74 HydrophobicContact CE1-CB 3.93Å; F72-M74 HydrophobicContact CZ-CB 4.18Å; F72-M74 HydrophobicContact CZ-CE 4.1Å; M74-L77 HydrophobicContact CB-CD2 4.32Å; M74-L77 HydrophobicContact CG-CD2 4.02Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; M74-D81 HydrophobicContact SD-CB 4.07Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å
75N90.9Very high92.1Very high61 Ų6150.7 Ų50.733%0.32628%0.282SS..  trans-96.4157.9176.9-58.3-50.8000110.8S9 R58 K73S9-N75 WeakPolarHBondContact CB-OD1 3.03Å; R58-N75 WeakPolarHBondContact CB-O 3.42Å; R58-N75 PolarHBondContact O-N 3.25Å; K73-N75 VanDerWaalsContact CE-OD1 3.27Å; K73-N75 WeakPolarHBondContact CE-OD1 3.25Å
76S88.1Confident92.2Very high72 Ų7249.1 Ų49.150%0.50327%0.271SS..SBendtrans53.159.6176.6-53.70000112R58R58-S76 PolarHBondContact NH1-O 3.21Å
77L88.3Confident92.3Very high5 Ų544.8 Ų44.83%0.02624%0.241CC..  trans-60139.4177.6-70.5167.1000111.5V4 S7 Q8 L10 M74 D81 V103V4-L77 HydrophobicContact CB-CD1 3.85Å; V4-L77 HydrophobicContact CG1-CD1 4.43Å; V4-L77 HydrophobicContact CG2-CD1 3.53Å; S7-L77 PolarHBondContact N-O 2.74Å; Q8-L77 WeakPolarHBondContact O-CD1 3.04Å; Q8-L77 VanDerWaalsContact O-CG 3.3Å; Q8-L77 WeakPolarHBondContact O-CG 3.21Å; Q8-L77 PolarHBondContact O-N 3Å; L10-L77 HydrophobicContact CB-CD1 3.62Å; L10-L77 HydrophobicContact CB-CD2 3.9Å; L10-L77 HydrophobicContact CB-CG 4.16Å; L10-L77 HydrophobicContact CD2-CD2 4.22Å; M74-L77 HydrophobicContact CB-CD2 4.32Å; M74-L77 HydrophobicContact CG-CD2 4.02Å; M74-L77 HydrophobicContact SD-CD2 3.66Å; L77-D81 HydrophobicContact CD2-CB 3.99Å; L77-V103 HydrophobicContact CB-CG1 4.03Å; L77-V103 HydrophobicContact CB-CG2 4.08Å; L77-V103 HydrophobicContact CD1-CG2 4.47Å; L77-V103 HydrophobicContact CD2-CG2 4.37Å
78Q88.7Confident92.3Very high97 Ų9739 Ų3945%0.45322%0.216SC..  trans-118.6160.7177.7-56.9177.923.900109.2D80 D81 V103Q78-D80 PolarHBondContact O-N 2.86Å; Q78-D80 VanDerWaalsContact O-N 3.13Å; Q78-D81 PolarHBondContact N-OD2 2.87Å; Q78-D81 WeakPolarHBondContact O-CB 3.38Å; Q78-D81 PolarHBondContact O-N 2.03Å; Q78-V103 WeakPolarHBondContact O-CG2 3.24Å
79A86.6Confident92.3Very high71 Ų7138.2 Ų38.259%0.58721%0.206SC*.G310 helixtrans-53.7-36.3178.500000112.4D81 T82A79-D81 PolarHBondContact O-N 2.8Å; A79-T82 WeakPolarHBondContact O-CB 3Å; A79-T82 PolarHBondContact O-N 2.92Å; A79-T82 VanDerWaalsContact O-N 3.13Å; A79-T82 PolarHBondContact O-OG1 2.85Å; A79-T82 VanDerWaalsContact O-OG1 3.07Å
80D87Confident91.8Very high119 Ų11937.9 Ų37.964%0.63621%0.207SC*.G310 helixtrans-68.5-10.7178.2-69.6-6.5000114.3Q78Q78-D80 PolarHBondContact O-N 2.86Å; Q78-D80 VanDerWaalsContact O-N 3.13Å
81D89.8Confident91Very high2 Ų240 Ų401%0.01123%0.229CC..G310 helixtrans-83.5-0.1173.7-60.2-45.9000112.6R30 R58 M74 L77 Q78 A79 A83 Y85 V103R30-D81 IonicContact NH1-OD1 3.11Å; R30-D81 PolarHBondContact NH1-OD1 3.22Å; R58-D81 IonicContact CZ-OD1 3.79Å; R58-D81 IonicContact CZ-OD2 3.48Å; R58-D81 IonicContact NH1-OD1 3.71Å; R58-D81 IonicContact NH1-OD2 2.68Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 2.92Å; R58-D81 PolarHBondContact NH2-OD1 2.88Å; R58-D81 IonicContact NH2-OD2 3.35Å; R58-D81 PolarHBondContact NH2-OD2 3.28Å; M74-D81 HydrophobicContact SD-CB 4.07Å; M74-D81 VanDerWaalsContact SD-CG 3.58Å; L77-D81 HydrophobicContact CD2-CB 3.99Å; Q78-D81 PolarHBondContact N-OD2 2.87Å; Q78-D81 WeakPolarHBondContact O-CB 3.38Å; Q78-D81 PolarHBondContact O-N 2.03Å; A79-D81 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-A83 VanDerWaalsContact O-N 3.12Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 3.37Å; D81-V103 HydrophobicContact CB-CG2 4.24Å
82T91.6Very high89.6Confident35 Ų3541.8 Ų41.822%0.21524%0.244CC..  trans-62.6111.3169.7-66.60000110P33 A79 V101 T102 V103P33-T82 WeakPolarHBondContact CD-O 3.44Å; A79-T82 WeakPolarHBondContact O-CB 3Å; A79-T82 PolarHBondContact O-N 2.92Å; A79-T82 VanDerWaalsContact O-N 3.13Å; A79-T82 PolarHBondContact O-OG1 2.85Å; A79-T82 VanDerWaalsContact O-OG1 3.07Å; T82-V101 WeakPolarHBondContact CA-O 3.37Å; T82-T102 HydrophobicContact CG2-CG2 4.41Å; T82-V103 PolarHBondContact OG1-N 2.86Å; T82-V103 VanDerWaalsContact OG1-N 3.14Å
83A94.2Very high88.9Confident3 Ų347.2 Ų47.23%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-165.7168.7-174.900000110.9R30 Q31 D81 Y85 V101R30-A83 HydrophobicContact CB-CB 3.95Å; R30-A83 HydrophobicContact CG-CB 4.36Å; Q31-A83 VanDerWaalsContact O-CA 3.32Å; Q31-A83 WeakPolarHBondContact O-CA 3.29Å; Q31-A83 WeakPolarHBondContact O-CB 3.47Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-A83 VanDerWaalsContact O-N 3.12Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; A83-V101 PolarHBondContact N-O 2.8Å; A83-V101 PolarHBondContact O-N 3.42Å
84I94.4Very high88.4Confident60 Ų6049.2 Ų49.231%0.30828%0.279SS..EExtended strand (participates in β ladder)trans-91.5126.3162.3-51.5174.4000108.1R30 Q31 Y86 T99R30-I84 CarbonylContact C-O 3.48Å; R30-I84 WeakPolarHBondContact CA-O 3.47Å; Q31-I84 PolarHBondContact N-O 3.12Å; Q31-I84 PolarHBondContact O-N 2.98Å; I84-Y86 HydrophobicContact CB-CE2 3.76Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.77Å; I84-Y86 HydrophobicContact CG2-CE2 3.64Å; I84-Y86 VanDerWaalsContact CG2-OH 3.29Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.43Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; I84-T99 WeakPolarHBondContact CA-O 3.36Å
85Y94.9Very high88.3Confident1 Ų154.6 Ų54.60%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-103.5126-178.6-70.2-101.7000110.4L10 I12 V29 R30 L40 F72 D81 A83 G98 T99 V101L10-Y85 HydrophobicContact CD2-CE2 4.28Å; I12-Y85 HydrophobicContact CD1-CD1 4.03Å; I12-Y85 HydrophobicContact CD1-CD2 4.11Å; I12-Y85 HydrophobicContact CD1-CG 3.57Å; V29-Y85 CarbonylContact O-C 3.42Å; R30-Y85 HydrophobicContact CB-CD1 3.94Å; R30-Y85 HydrophobicContact CB-CE1 3.97Å; R30-Y85 HydrophobicContact CB-CG 4.3Å; L40-Y85 HydrophobicContact CD1-CD1 3.73Å; L40-Y85 HydrophobicContact CD1-CE1 3.67Å; F72-Y85 AromaticContact CE1-CD1 3.91Å; F72-Y85 HydrophobicContact CE1-CD1 3.91Å; F72-Y85 AromaticContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CE1-CE1 3.89Å; F72-Y85 HydrophobicContact CZ-CD1 4.22Å; F72-Y85 HydrophobicContact CZ-CE1 4.06Å; D81-Y85 WeakPolarHBondContact O-CE2 3.47Å; D81-Y85 PolarHBondContact O-OH 3.37Å; A83-Y85 HydrophobicContact CB-CD2 4.35Å; A83-Y85 HydrophobicContact CB-CE2 3.86Å; A83-Y85 WeakPolarHBondContact O-CD2 3.41Å; Y85-G98 CarbonylContact O-C 3.6Å; Y85-G98 WeakPolarHBondContact O-CA 3.42Å; Y85-T99 PolarHBondContact N-O 2.8Å; Y85-T99 PolarHBondContact O-N 2.92Å; Y85-V101 HydrophobicContact CD2-CB 4.03Å; Y85-V101 HydrophobicContact CD2-CG2 3.78Å; Y85-V101 HydrophobicContact CE2-CB 3.87Å; Y85-V101 HydrophobicContact CE2-CG2 4.06Å
86Y94.6Very high88.2Confident39 Ų3953 Ų5315%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-115.9145.5-177.9-55.8-86.6000110.5W28 V29 Q31 L37 I84 W95 G98W28-Y86 WeakPolarHBondContact CA-O 3.24Å; V29-Y86 PolarHBondContact N-O 3.13Å; V29-Y86 PolarHBondContact O-N 2.82Å; Q31-Y86 HydrophobicContact CB-CE2 3.96Å; L37-Y86 HydrophobicContact CD2-CD2 4.44Å; L37-Y86 HydrophobicContact CD2-CE2 4.43Å; I84-Y86 HydrophobicContact CB-CE2 3.76Å; I84-Y86 HydrophobicContact CG2-CD1 4.49Å; I84-Y86 HydrophobicContact CG2-CD2 4.37Å; I84-Y86 HydrophobicContact CG2-CE1 3.77Å; I84-Y86 HydrophobicContact CG2-CE2 3.64Å; I84-Y86 VanDerWaalsContact CG2-OH 3.29Å; I84-Y86 WeakPolarHBondContact CG2-OH 3.43Å; I84-Y86 WeakPolarHBondContact O-CE2 3.35Å; Y86-W95 HydrophobicContact CG-CE3 4.31Å; Y86-W95 HydrophobicContact CG-CZ3 4.47Å; Y86-G98 VanDerWaalsContact CD1-CA 3.42Å
87C94.3Very high88.2Confident14 Ų1459.1 Ų59.110%0.09532%0.318CS..EExtended strand (participates in β ladder)trans-104.7141.6161.957.20000109.5C14 V26 H27 W28 G96C14-C87 HydrophobicContact CB-CB 3.52Å; C14-C87 WeakPolarHBondContact CB-SG 3.28Å; C14-C87 WeakPolarHBondContact SG-CB 3.37Å; C14-C87 CovalentContact SG-SG 2.03Å; C14-C87 PolarHBondContact SG-SG 3.06Å; V26-C87 HydrophobicContact CG1-CB 3.93Å; H27-C87 CarbonylContact O-C 3.47Å; H27-C87 VanDerWaalsContact O-CA 3.25Å; H27-C87 WeakPolarHBondContact O-CA 3.4Å; W28-C87 HydrophobicContact CD2-CB 4.4Å; W28-C87 HydrophobicContact CE3-CB 4.25Å; W28-C87 HydrophobicContact CH2-CB 4.15Å; W28-C87 HydrophobicContact CZ2-CB 4.27Å; W28-C87 HydrophobicContact CZ3-CB 4.12Å; C87-G96 PolarHBondContact O-N 3.29Å
88A93.9Very high88.3Confident4 Ų460.2 Ų60.23%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-139.2141.1179.900000111.3V26 H27 Y94 W95V26-A88 CarbonylContact C-O 3.51Å; V26-A88 WeakPolarHBondContact CA-O 3.48Å; H27-A88 PolarHBondContact N-O 2.86Å; H27-A88 PolarHBondContact O-N 3.25Å; A88-Y94 VanDerWaalsContact CA-O 3.28Å; A88-Y94 WeakPolarHBondContact CA-O 3.38Å; A88-W95 HydrophobicContact CB-CD2 3.81Å; A88-W95 HydrophobicContact CB-CE3 3.95Å; A88-W95 HydrophobicContact CB-CG 4.3Å; A88-W95 HydrophobicContact CB-CH2 4.34Å; A88-W95 HydrophobicContact CB-CZ2 4.22Å; A88-W95 HydrophobicContact CB-CZ3 4.22Å
89R93Very high88.4Confident30 Ų3058.5 Ų58.511%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-71.1145.5175.7-170-16969.6136.4-6.4110.4F19 Y24 G91 T92 D93 Y94F19-R89 HydrophobicContact CD1-CG 4.23Å; F19-R89 HydrophobicContact CD2-CG 4.04Å; F19-R89 HydrophobicContact CE1-CB 3.99Å; F19-R89 HydrophobicContact CE1-CG 4.05Å; F19-R89 HydrophobicContact CE2-CB 4.38Å; F19-R89 HydrophobicContact CE2-CG 3.84Å; F19-R89 HydrophobicContact CG-CG 4.22Å; F19-R89 HydrophobicContact CZ-CB 3.88Å; F19-R89 HydrophobicContact CZ-CG 3.83Å; Y24-R89 HydrophobicContact CD1-CG 4.15Å; Y24-R89 HydrophobicContact CG-CG 3.97Å; Y24-R89 PolarHBondContact OH-NH1 2.79Å; R89-G91 PolarHBondContact O-N 2.79Å; R89-T92 WeakPolarHBondContact O-CA 3.48Å; R89-T92 PolarHBondContact O-N 3.21Å; R89-D93 IonicContact CZ-OD2 3.99Å; R89-D93 IonicContact NH2-OD2 2.78Å; R89-D93 PolarHBondContact NH2-OD2 3.03Å; R89-Y94 PolarHBondContact N-O 2.86Å
90T85.2Confident88.7Confident40 Ų4057.7 Ų57.725%0.24532%0.317CS..THydrogen-bonded Turntrans-53.3130.3165.5-56.20000110.1G25 H27 W44G25-T90 VanDerWaalsContact C-OG1 3.29Å; G25-T90 VanDerWaalsContact CA-OG1 3.23Å; G25-T90 WeakPolarHBondContact CA-OG1 3.33Å; G25-T90 PolarHBondContact N-OG1 2.7Å; G25-T90 PolarHBondContact O-N 3.37Å; G25-T90 PolarHBondContact O-OG1 2.85Å; H27-T90 PolarHBondContact NE2-OG1 2.8Å; W44-T90 HydrophobicContact CZ3-CG2 3.96Å
91G79.6Confident88.8Confident43 Ų4352.1 Ų52.144%0.44329%0.287SS..THydrogen-bonded Turntrans99.7-10.3-166.600000113.7R89 D93R89-G91 PolarHBondContact O-N 2.79Å; G91-D93 PolarHBondContact O-N 2.74Å
92T67.1Low88.8Confident90 Ų9055 Ų5555%0.55231%0.305SS*.SBendtrans59.14.117155.20000117.8R89 Y94 W95R89-T92 WeakPolarHBondContact O-CA 3.48Å; R89-T92 PolarHBondContact O-N 3.21Å; T92-Y94 VanDerWaalsContact C-N 3.26Å; T92-Y94 PolarHBondContact O-N 3.34Å; T92-W95 VanDerWaalsContact O-CD1 3.31Å; T92-W95 PolarHBondContact O-NE1 3.01Å
93D78.3Confident88.4Confident115 Ų11555.1 Ų55.162%0.61531%0.305SS*.SBendtrans-75-15.1178.9-36.6-62.5000113.5R89 G91R89-D93 IonicContact CZ-OD2 3.99Å; R89-D93 IonicContact NH2-OD2 2.78Å; R89-D93 PolarHBondContact NH2-OD2 3.03Å; G91-D93 PolarHBondContact O-N 2.74Å
94Y84.1Confident88.1Confident132 Ų13257.7 Ų57.752%0.51832%0.319SS..  trans-127.8120.5-176.2-67.1-86.9000111.3A88 R89 T92A88-Y94 VanDerWaalsContact CA-O 3.28Å; A88-Y94 WeakPolarHBondContact CA-O 3.38Å; R89-Y94 PolarHBondContact N-O 2.86Å; T92-Y94 VanDerWaalsContact C-N 3.26Å; T92-Y94 PolarHBondContact O-N 3.34Å
95W90Very high87.8Confident114 Ų11457.6 Ų57.643%0.43232%0.32SS..BIsolated β-bridgetrans-120.7140.8178.4-69.474.5000110.8V29 L37 Y86 A88 T92V29-W95 HydrophobicContact CB-CH2 4.33Å; V29-W95 HydrophobicContact CB-CZ3 4Å; V29-W95 HydrophobicContact CG1-CH2 4.28Å; V29-W95 HydrophobicContact CG1-CZ3 4.17Å; V29-W95 HydrophobicContact CG2-CH2 4.02Å; V29-W95 HydrophobicContact CG2-CZ3 4.07Å; L37-W95 HydrophobicContact CD1-CH2 4.03Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å; Y86-W95 HydrophobicContact CG-CE3 4.31Å; Y86-W95 HydrophobicContact CG-CZ3 4.47Å; A88-W95 HydrophobicContact CB-CD2 3.81Å; A88-W95 HydrophobicContact CB-CE3 3.95Å; A88-W95 HydrophobicContact CB-CG 4.3Å; A88-W95 HydrophobicContact CB-CH2 4.34Å; A88-W95 HydrophobicContact CB-CZ2 4.22Å; A88-W95 HydrophobicContact CB-CZ3 4.22Å; T92-W95 VanDerWaalsContact O-CD1 3.31Å; T92-W95 PolarHBondContact O-NE1 3.01Å
96G88.3Confident87.4Confident27 Ų2760.7 Ų60.728%0.27834%0.337SS..  trans-70.2161.5167.500000111.5C87 G98C87-G96 PolarHBondContact O-N 3.29Å; G96-G98 PolarHBondContact O-N 3.39Å; G96-G98 VanDerWaalsContact O-N 3.11Å
97Q88.7Confident87Confident201 Ų20162 Ų6294%0.93935%0.348SS*.  trans-62.8-18.8180-67.1-173.1-24.900113.9
98G90.2Very high86.5Confident28 Ų2865 Ų6529%0.28936%0.364SS..  trans87148.1-178.300000112.8Y85 Y86 G96Y85-G98 CarbonylContact O-C 3.6Å; Y85-G98 WeakPolarHBondContact O-CA 3.42Å; Y86-G98 VanDerWaalsContact CD1-CA 3.42Å; G96-G98 PolarHBondContact O-N 3.39Å; G96-G98 VanDerWaalsContact O-N 3.11Å
99T91.7Very high86.1Confident61 Ų6169.1 Ų69.137%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-117.7115177.9-60.40000108.8I84 Y85 V101I84-T99 WeakPolarHBondContact CA-O 3.36Å; Y85-T99 PolarHBondContact N-O 2.8Å; Y85-T99 PolarHBondContact O-N 2.92Å; T99-V101 HydrophobicContact CG2-CG2 4.18Å; T99-V101 PolarHBondContact O-N 3.3Å
100S91.8Very high85.6Confident54 Ų5471.9 Ų71.938%0.37841%0.406SS..EExtended strand (participates in β ladder)trans-74.9122173.7-172.30000110.3G2G2-S100 PolarHBondContact N-O 3.4Å
101V89.7Confident85.6Confident2 Ų274.3 Ų74.31%0.01242%0.418CS..EExtended strand (participates in β ladder)trans-119.8131.6176.9179.80000108.9V4 L10 I12 T82 A83 Y85 T99 V103V4-V101 HydrophobicContact CG2-CG1 3.68Å; L10-V101 HydrophobicContact CD1-CG1 4.07Å; L10-V101 HydrophobicContact CD1-CG2 3.83Å; L10-V101 HydrophobicContact CD2-CB 4.47Å; L10-V101 HydrophobicContact CD2-CG1 4.04Å; L10-V101 HydrophobicContact CD2-CG2 3.98Å; I12-V101 HydrophobicContact CD1-CG2 4.39Å; T82-V101 WeakPolarHBondContact CA-O 3.37Å; A83-V101 PolarHBondContact N-O 2.8Å; A83-V101 PolarHBondContact O-N 3.42Å; Y85-V101 HydrophobicContact CD2-CB 4.03Å; Y85-V101 HydrophobicContact CD2-CG2 3.78Å; Y85-V101 HydrophobicContact CE2-CB 3.87Å; Y85-V101 HydrophobicContact CE2-CG2 4.06Å; T99-V101 HydrophobicContact CG2-CG2 4.18Å; T99-V101 PolarHBondContact O-N 3.3Å; V101-V103 HydrophobicContact CG1-CG2 4.49Å
102T88.6Confident86.1Confident61 Ų6176.9 Ų76.937%0.37442%0.416SS..EExtended strand (participates in β ladder)trans-123.1121.7175-53.10000107.9G2 V4 T82G2-T102 PolarHBondContact O-N 2.59Å; V4-T102 WeakPolarHBondContact CG2-O 3.42Å; V4-T102 PolarHBondContact N-O 3.35Å; V4-T102 VanDerWaalsContact N-O 3.08Å; T82-T102 HydrophobicContact CG2-CG2 4.41Å
103V84.7Confident87.8Confident38 Ų3875.7 Ų75.723%0.2340%0.404CS..  trans-95.70176.1-170.70000109.9V4 P6 L77 Q78 D81 T82 V101V4-V103 HydrophobicContact CG2-CB 4.37Å; V4-V103 HydrophobicContact CG2-CG2 3.83Å; V4-V103 WeakPolarHBondContact O-CA 3.39Å; P6-V103 HydrophobicContact CB-CG1 4.46Å; P6-V103 HydrophobicContact CG-CG1 4.18Å; L77-V103 HydrophobicContact CB-CG1 4.03Å; L77-V103 HydrophobicContact CB-CG2 4.08Å; L77-V103 HydrophobicContact CD1-CG2 4.47Å; L77-V103 HydrophobicContact CD2-CG2 4.37Å; Q78-V103 WeakPolarHBondContact O-CG2 3.24Å; D81-V103 HydrophobicContact CB-CG2 4.24Å; T82-V103 PolarHBondContact OG1-N 2.86Å; T82-V103 VanDerWaalsContact OG1-N 3.14Å; V101-V103 HydrophobicContact CG1-CG2 4.49Å

Retrieved 103 of 103 residues in 41 ms (Link to these results)