X5J5R1_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5R1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 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
1P51Low73.1Confident155 Ų15573.7 Ų73.7100%1.00647%0.474SS*.  0115.40-6.926.4000110S103P1-S103 WeakPolarHBondContact CA-O 3.4Å
2G65.8Low74.7Confident34 Ų3468.3 Ų68.335%0.35144%0.438SS..EExtended strand (participates in β ladder)trans-93.9123.9174.400000110.1S103 T105G2-S103 PolarHBondContact N-O 3.39Å; G2-T105 PolarHBondContact O-N 3.31Å; G2-T105 VanDerWaalsContact O-N 3.07Å
3L68.5Low76.3Confident131 Ų13168.2 Ų68.269%0.68644%0.436SS*.EExtended strand (participates in β ladder)trans-92.1123.6168.2-171.471.4000107.9T105 S107L3-T105 HydrophobicContact CD1-CG2 4.38Å; L3-S107 WeakPolarHBondContact CD1-OG 3.38Å
4V69.9Low77.5Confident22 Ų2264.1 Ų64.113%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-132138.3-176.7-860000109.7L77 V104 T105 V106V4-L77 HydrophobicContact CB-CD1 3.78Å; V4-L77 HydrophobicContact CG1-CD1 4.33Å; V4-L77 HydrophobicContact CG2-CD1 3.75Å; V4-V104 HydrophobicContact CG2-CG1 3.58Å; V4-T105 PolarHBondContact N-O 2.98Å; V4-T105 VanDerWaalsContact N-O 3.15Å; V4-V106 HydrophobicContact CG2-CG2 3.88Å; V4-V106 WeakPolarHBondContact O-CA 3.32Å
5A72.2Confident78.6Confident45 Ų4566.1 Ų66.137%0.37242%0.421SS..  trans-79.8153.5178.600000111.1Q8A5-Q8 HydrophobicContact CB-CG 4.26Å; A5-Q8 WeakPolarHBondContact O-CB 3.37Å; A5-Q8 PolarHBondContact O-N 3.06Å
6P63.4Low79.3Confident51 Ų5162.9 Ų62.933%0.33140%0.401SS..THydrogen-bonded Turntrans-54.9147.9172.1-23.433.2000111.4Q8 V106 S107P6-Q8 PolarHBondContact O-N 3.31Å; P6-V106 HydrophobicContact CG-CG1 4.26Å; P6-S107 WeakPolarHBondContact CD-O 3.21Å
7S68.4Low79.9Confident102 Ų10265.5 Ų65.571%0.71342%0.421SS*.THydrogen-bonded Turntrans70-3.7-177.2-46.20000116.7L77S7-L77 PolarHBondContact N-O 2.97Å; S7-L77 VanDerWaalsContact N-O 3.08Å
8Q80.6Confident80.2Confident104 Ų10466.8 Ų66.849%0.48645%0.448SS..PPolyproline II helixtrans-76.1164.7167.7-67.9-172.5-25.400111.5A5 P6 S76 L77A5-Q8 HydrophobicContact CB-CG 4.26Å; A5-Q8 WeakPolarHBondContact O-CB 3.37Å; A5-Q8 PolarHBondContact O-N 3.06Å; P6-Q8 PolarHBondContact O-N 3.31Å; Q8-S76 PolarHBondContact O-N 2.94Å; Q8-L77 HydrophobicContact CB-CD1 4.49Å; Q8-L77 WeakPolarHBondContact O-CD1 3.42Å; Q8-L77 VanDerWaalsContact O-CG 3.27Å; Q8-L77 WeakPolarHBondContact O-CG 3.04Å; Q8-L77 PolarHBondContact O-N 3.31Å
9S85Confident80.6Confident68 Ų6865.1 Ų65.148%0.47643%0.433SS..PPolyproline II helixtrans-95.5133.1169.4-62.90000109.9L74 N75S9-L74 CarbonylContact C-O 3.57Å; S9-L74 VanDerWaalsContact CA-O 3.29Å; S9-L74 WeakPolarHBondContact CA-O 3.49Å; S9-N75 PolarHBondContact OG-OD1 2.77Å
10L87.6Confident81.1Confident19 Ų1964.5 Ų64.510%0.09943%0.429CS..EExtended strand (participates in β ladder)trans-94.8138.8168.2176.667.8000109.3I12 K73 L74 L77 Y85 V104L10-I12 HydrophobicContact CD1-CG1 4.15Å; L10-I12 HydrophobicContact CD2-CD1 3.82Å; L10-I12 HydrophobicContact CD2-CG1 3.87Å; L10-I12 HydrophobicContact CG-CD1 4.32Å; L10-I12 HydrophobicContact CG-CG1 3.8Å; L10-K73 CarbonylContact O-C 3.46Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 2.99Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 3.27Å; L10-L74 PolarHBondContact O-N 2.84Å; L10-L77 HydrophobicContact CB-CD1 3.88Å; L10-L77 HydrophobicContact CB-CD2 3.88Å; L10-L77 HydrophobicContact CB-CG 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.3Å; L10-Y85 HydrophobicContact CD2-CE2 4.41Å; L10-V104 HydrophobicContact CD1-CG1 4.22Å; L10-V104 HydrophobicContact CD1-CG2 4.15Å; L10-V104 HydrophobicContact CD2-CB 4.44Å; L10-V104 HydrophobicContact CD2-CG1 3.93Å; L10-V104 HydrophobicContact CD2-CG2 4Å
11S91.4Very high81.6Confident80 Ų8061.6 Ų61.656%0.55941%0.41SS*.EExtended strand (participates in β ladder)trans-126.9118167.2-173.30000109L72S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å
12I93.1Very high83.6Confident8 Ų858 Ų584%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-107.4130.2176.3-46.3-175.8000108.4L10 W28 F71 L72 Y85 T102 V104L10-I12 HydrophobicContact CD1-CG1 4.15Å; L10-I12 HydrophobicContact CD2-CD1 3.82Å; L10-I12 HydrophobicContact CD2-CG1 3.87Å; L10-I12 HydrophobicContact CG-CD1 4.32Å; L10-I12 HydrophobicContact CG-CG1 3.8Å; I12-W28 HydrophobicContact CB-CH2 4.08Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.84Å; I12-W28 HydrophobicContact CG2-CZ3 3.85Å; I12-F71 CarbonylContact O-C 3.53Å; I12-F71 WeakPolarHBondContact O-CA 2.99Å; I12-L72 HydrophobicContact CB-CB 4.33Å; I12-L72 HydrophobicContact CD1-CD2 4.22Å; I12-L72 PolarHBondContact N-O 2.92Å; I12-L72 PolarHBondContact O-N 3.17Å; I12-Y85 HydrophobicContact CD1-CD1 3.75Å; I12-Y85 HydrophobicContact CD1-CD2 3.78Å; I12-Y85 HydrophobicContact CD1-CE1 4.48Å; I12-Y85 HydrophobicContact CD1-CG 3.34Å; I12-T102 HydrophobicContact CG2-CG2 4.33Å; I12-V104 HydrophobicContact CD1-CG2 4.3Å
13T94.9Very high84.7Confident68 Ų6860.3 Ų60.342%0.41740%0.396SS..EExtended strand (participates in β ladder)trans-103.4130.2175-54.90000109.6Q69 F71T13-Q69 HydrophobicContact CG2-CB 4.22Å; T13-Q69 HydrophobicContact CG2-CG 3.97Å; T13-F71 HydrophobicContact CG2-CD1 3.96Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.38Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.34Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.25Å
14C94Very high85.8Confident10 Ų1058.7 Ų58.77%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-110.9112.9168.3175.90000108.9W28 Q69 V70 C87C14-W28 HydrophobicContact CB-CH2 3.55Å; C14-W28 HydrophobicContact CB-CZ2 3.65Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; C14-Q69 CarbonylContact O-C 3.5Å; C14-Q69 WeakPolarHBondContact O-CA 3.37Å; C14-V70 PolarHBondContact N-O 2.86Å; C14-V70 PolarHBondContact O-N 2.96Å; C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.4Å; C14-C87 WeakPolarHBondContact SG-CB 3.3Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.86Å
15T94Very high86.8Confident95 Ų9557.7 Ų57.758%0.58338%0.376SS*.EExtended strand (participates in β ladder)trans-87.8123170.7-54.10000108.3Q69T15-Q69 HydrophobicContact CG2-CG 4.39Å; T15-Q69 PolarHBondContact OG1-NE2 2.02Å
16V90Very high87.9Confident15 Ų1555.6 Ų55.69%0.09136%0.358CS..  trans-99.5148.7179-56.50000110.8F19 L21 V26 S68V16-F19 HydrophobicContact CB-CE1 3.76Å; V16-F19 HydrophobicContact CB-CE2 4.18Å; V16-F19 HydrophobicContact CB-CZ 3.54Å; V16-F19 HydrophobicContact CG1-CE1 4.13Å; V16-F19 HydrophobicContact CG1-CE2 4.29Å; V16-F19 HydrophobicContact CG1-CZ 3.55Å; V16-F19 HydrophobicContact CG2-CE1 4.41Å; V16-F19 HydrophobicContact CG2-CE2 4.11Å; V16-F19 HydrophobicContact CG2-CZ 3.98Å; V16-L21 HydrophobicContact CG1-CD2 4.24Å; V16-L21 HydrophobicContact CG2-CD1 4.09Å; V16-L21 HydrophobicContact CG2-CD2 3.56Å; V16-L21 HydrophobicContact CG2-CG 3.66Å; V16-V26 HydrophobicContact CG1-CG2 4.08Å; V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 2.91Å; V16-S68 WeakPolarHBondContact O-CB 3.29Å
17S88.2Confident89.4Confident107 Ų10753.4 Ų53.475%0.74834%0.344SS*.  trans-140.2155.3173.762.40000109.6F19S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å; S17-F19 PolarHBondContact O-N 3.15Å
18G86.5Confident90.6Very high88 Ų8848.7 Ų48.791%0.90731%0.31SS*.SBendtrans81.11.2179.300000115.7
19F87.4Confident91.3Very high35 Ų3543.9 Ų43.915%0.15429%0.288CS..SBendtrans-154.6160.7171.265.8-86.5000112.3V16 S17 L21 Y24 V26 K89V16-F19 HydrophobicContact CB-CE1 3.76Å; V16-F19 HydrophobicContact CB-CE2 4.18Å; V16-F19 HydrophobicContact CB-CZ 3.54Å; V16-F19 HydrophobicContact CG1-CE1 4.13Å; V16-F19 HydrophobicContact CG1-CE2 4.29Å; V16-F19 HydrophobicContact CG1-CZ 3.55Å; V16-F19 HydrophobicContact CG2-CE1 4.41Å; V16-F19 HydrophobicContact CG2-CE2 4.11Å; V16-F19 HydrophobicContact CG2-CZ 3.98Å; S17-F19 VanDerWaalsContact C-N 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.3Å; S17-F19 PolarHBondContact O-N 3.15Å; F19-L21 HydrophobicContact CE2-CD2 3.98Å; F19-Y24 HydrophobicContact CB-CD2 3.85Å; F19-Y24 HydrophobicContact CB-CE2 4.25Å; F19-Y24 HydrophobicContact CD2-CD2 4.13Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.38Å; F19-V26 HydrophobicContact CE2-CG2 4.01Å; F19-V26 HydrophobicContact CZ-CG2 4.01Å; F19-K89 HydrophobicContact CD1-CB 4.41Å; F19-K89 HydrophobicContact CD1-CD 3.9Å; F19-K89 HydrophobicContact CD1-CG 4.13Å; F19-K89 HydrophobicContact CD2-CD 4.48Å; F19-K89 HydrophobicContact CD2-CG 4.22Å; F19-K89 HydrophobicContact CE1-CB 3.8Å; F19-K89 HydrophobicContact CE1-CD 4.14Å; F19-K89 HydrophobicContact CE1-CG 3.94Å; F19-K89 HydrophobicContact CE2-CB 4.41Å; F19-K89 HydrophobicContact CE2-CG 4.01Å; F19-K89 HydrophobicContact CG-CD 4.07Å; F19-K89 HydrophobicContact CG-CG 4.26Å; F19-K89 HydrophobicContact CZ-CB 3.78Å; F19-K89 HydrophobicContact CZ-CG 3.86Å
20S90.4Very high91.7Very high52 Ų5241.8 Ų41.836%0.36427%0.27SS..  trans-89.5133.2174.3-178.70000111.9T22 S23 Y24S20-T22 PolarHBondContact O-N 3.39Å; S20-T22 PolarHBondContact OG-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 3.34Å; S20-S23 PolarHBondContact O-N 3.39Å; S20-S23 VanDerWaalsContact O-N 3.08Å; S20-Y24 PolarHBondContact O-N 3.24Å; S20-Y24 VanDerWaalsContact O-N 3.12Å
21L92.3Very high92.1Very high5 Ų544.4 Ų44.43%0.02628%0.282CS..THydrogen-bonded Turntrans-67.8-9173-69.8-179.2000114.2V16 F19 V26 G45 K63 N65 V70V16-L21 HydrophobicContact CG1-CD2 4.24Å; V16-L21 HydrophobicContact CG2-CD1 4.09Å; V16-L21 HydrophobicContact CG2-CD2 3.56Å; V16-L21 HydrophobicContact CG2-CG 3.66Å; F19-L21 HydrophobicContact CE2-CD2 3.98Å; L21-V26 HydrophobicContact CD2-CG2 3.58Å; L21-G45 WeakPolarHBondContact O-CA 3.48Å; L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 2.91Å; L21-N65 VanDerWaalsContact CB-OD1 3.29Å; L21-N65 WeakPolarHBondContact CB-OD1 3.25Å; L21-V70 HydrophobicContact CD1-CG2 3.9Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.44Å
22T92.1Very high92.2Very high79 Ų7941.1 Ų41.149%0.48526%0.258SS..THydrogen-bonded Turntrans-86.7-22.4170.857.60000112.5S20 G45 N65S20-T22 PolarHBondContact O-N 3.39Å; S20-T22 PolarHBondContact OG-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 3.34Å; T22-G45 CarbonylContact O-C 3.47Å; T22-G45 WeakPolarHBondContact O-CA 3.46Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.37Å
23S89.5Confident92.2Very high82 Ų8245.6 Ų45.657%0.57329%0.288SS*.THydrogen-bonded Turntrans-100.2-25.8-176.2-52.30000113S20S20-S23 PolarHBondContact O-N 3.39Å; S20-S23 VanDerWaalsContact O-N 3.08Å
24Y90.4Very high92.1Very high97 Ų9746.8 Ų46.838%0.3831%0.314SS..SBendtrans-130.3154.2-177.8-63.2-85.8000111.3F19 S20 K89F19-Y24 HydrophobicContact CB-CD2 3.85Å; F19-Y24 HydrophobicContact CB-CE2 4.25Å; F19-Y24 HydrophobicContact CD2-CD2 4.13Å; F19-Y24 HydrophobicContact CD2-CG 4.29Å; F19-Y24 HydrophobicContact CG-CD2 4.38Å; S20-Y24 PolarHBondContact O-N 3.24Å; S20-Y24 VanDerWaalsContact O-N 3.12Å; Y24-K89 HydrophobicContact CD1-CD 4.45Å; Y24-K89 HydrophobicContact CD1-CG 4.5Å; Y24-K89 VanDerWaalsContact CE1-CE 3.41Å; Y24-K89 HydrophobicContact CG-CD 4.49Å; Y24-K89 VanDerWaalsContact CG-CE 3.41Å; Y24-K89 HydrophobicContact CG-CG 4.42Å
25G92.4Very high92.1Very high2 Ų252.3 Ų52.32%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-85.1166.6170.500000112.3I43 T90G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.45Å; G25-T90 PolarHBondContact N-O 3.01Å; G25-T90 PolarHBondContact O-N 3.23Å
26V94.3Very high92Very high1 Ų150.3 Ų50.31%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-127.8125.4169.1177.10000108.8V16 F19 L21 V42 I43 V70 C87 A88V16-V26 HydrophobicContact CG1-CG2 4.08Å; F19-V26 HydrophobicContact CE2-CG2 4.01Å; F19-V26 HydrophobicContact CZ-CG2 4.01Å; L21-V26 HydrophobicContact CD2-CG2 3.58Å; V26-V42 WeakPolarHBondContact O-CA 3.37Å; V26-I43 HydrophobicContact CB-CG2 4.4Å; V26-I43 PolarHBondContact N-O 2.78Å; V26-I43 PolarHBondContact O-N 3.14Å; V26-V70 HydrophobicContact CB-CB 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.25Å; V26-V70 HydrophobicContact CB-CG2 3.9Å; V26-V70 HydrophobicContact CG1-CB 4.24Å; V26-V70 HydrophobicContact CG1-CG1 4.16Å; V26-V70 HydrophobicContact CG1-CG2 4.17Å; V26-V70 HydrophobicContact CG2-CG2 3.76Å; V26-C87 HydrophobicContact CG1-CB 3.92Å; V26-A88 CarbonylContact C-O 3.43Å; V26-A88 VanDerWaalsContact CA-O 3.29Å; V26-A88 WeakPolarHBondContact CA-O 3.33Å
27T94.2Very high92.2Very high4 Ų454.4 Ų54.43%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-102.2143.7178.5-171.70000110.2W39 G41 C87 A88 T90 M95T27-W39 VanDerWaalsContact OG1-CD1 3.23Å; T27-W39 PolarHBondContact OG1-NE1 2.64Å; T27-G41 CarbonylContact C-O 3.58Å; T27-G41 WeakPolarHBondContact CA-O 3.3Å; T27-G41 PolarHBondContact OG1-O 2.8Å; T27-C87 CarbonylContact O-C 3.57Å; T27-C87 VanDerWaalsContact O-CA 3.3Å; T27-C87 WeakPolarHBondContact O-CA 3.43Å; T27-A88 HydrophobicContact CG2-CB 3.81Å; T27-A88 WeakPolarHBondContact CG2-O 3.41Å; T27-A88 PolarHBondContact N-O 2.77Å; T27-A88 PolarHBondContact O-N 3.45Å; T27-T90 HydrophobicContact CG2-CG2 4.35Å; T27-M95 HydrophobicContact CG2-CE 3.2Å; T27-M95 HydrophobicContact CG2-CG 4.22Å
28W95Very high92.4Very high3 Ų352.2 Ų52.21%0.01133%0.334CS..EExtended strand (participates in β ladder)trans-107.3136.3174.9-72.995.2000110.2I12 C14 L40 G41 V70 L72 Y86 C87I12-W28 HydrophobicContact CB-CH2 4.08Å; I12-W28 HydrophobicContact CB-CZ3 4.19Å; I12-W28 HydrophobicContact CG2-CH2 3.84Å; I12-W28 HydrophobicContact CG2-CZ3 3.85Å; C14-W28 HydrophobicContact CB-CH2 3.55Å; C14-W28 HydrophobicContact CB-CZ2 3.65Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; W28-L40 HydrophobicContact CB-CB 4.04Å; W28-L40 HydrophobicContact CB-CD1 4.32Å; W28-L40 WeakPolarHBondContact O-CB 3.48Å; W28-L40 PolarHBondContact O-N 2.92Å; W28-G41 PolarHBondContact N-O 2.95Å; W28-V70 HydrophobicContact CZ2-CG1 4.27Å; W28-L72 HydrophobicContact CB-CD1 4.28Å; W28-L72 HydrophobicContact CD2-CB 3.74Å; W28-L72 HydrophobicContact CD2-CD1 4.35Å; W28-L72 HydrophobicContact CD2-CD2 4.07Å; W28-L72 HydrophobicContact CD2-CG 4.28Å; W28-L72 HydrophobicContact CE3-CB 4.01Å; W28-L72 HydrophobicContact CE3-CD2 3.87Å; W28-L72 HydrophobicContact CE3-CG 4.48Å; W28-L72 HydrophobicContact CG-CB 4.27Å; W28-L72 HydrophobicContact CG-CD1 4.03Å; W28-L72 HydrophobicContact CG-CD2 4.36Å; W28-L72 HydrophobicContact CG-CG 4.46Å; W28-L72 HydrophobicContact CH2-CB 4.02Å; W28-L72 HydrophobicContact CZ2-CB 3.77Å; W28-L72 HydrophobicContact CZ3-CB 4.14Å; W28-L72 HydrophobicContact CZ3-CD2 4.39Å; W28-Y86 WeakPolarHBondContact CA-O 3.31Å; W28-C87 HydrophobicContact CD2-CB 4.21Å; W28-C87 HydrophobicContact CE3-CB 4.05Å; W28-C87 HydrophobicContact CH2-CB 4.07Å; W28-C87 HydrophobicContact CZ2-CB 4.2Å; W28-C87 HydrophobicContact CZ3-CB 3.98Å
29V94.4Very high92.7Very high4 Ų452.6 Ų52.62%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-136.1144.2-179.5-178.20000107.4L37 E38 Y85 Y86 M95 W98V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.21Å; V29-Y85 CarbonylContact O-C 3.56Å; V29-Y86 PolarHBondContact N-O 3.16Å; V29-Y86 PolarHBondContact O-N 3.42Å; V29-M95 HydrophobicContact CG2-CE 3.59Å; V29-W98 HydrophobicContact CB-CH2 4.11Å; V29-W98 HydrophobicContact CB-CZ3 3.9Å; V29-W98 HydrophobicContact CG1-CH2 4.09Å; V29-W98 HydrophobicContact CG1-CZ3 4.07Å; V29-W98 HydrophobicContact CG2-CH2 3.81Å; V29-W98 HydrophobicContact CG2-CZ3 4.03Å
30R94.4Very high93Very high23 Ų2351 Ų519%0.08730%0.301CS..EExtended strand (participates in β ladder)trans-121.7155.5169.270.1175.4-179.6-174.47111.4E38 L40 D81 A83 T84 Y85R30-E38 HydrophobicContact CG-CB 3.97Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 PolarHBondContact N-O 2.97Å; R30-E38 IonicContact NE-OE2 4Å; R30-E38 PolarHBondContact NE-OE2 3.39Å; R30-E38 IonicContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact NH2-OE2 3.48Å; R30-E38 PolarHBondContact O-N 2.92Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CD2 4.48Å; R30-L40 HydrophobicContact CB-CG 4.36Å; R30-L40 HydrophobicContact CG-CD1 4.26Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.15Å; R30-D81 IonicContact NH1-OD1 3.37Å; R30-D81 PolarHBondContact NH1-OD1 3.17Å; R30-A83 HydrophobicContact CB-CB 3.86Å; R30-A83 HydrophobicContact CG-CB 4.28Å; R30-T84 CarbonylContact C-O 3.58Å; R30-T84 VanDerWaalsContact CA-O 3.25Å; R30-T84 WeakPolarHBondContact CA-O 3.47Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.95Å; R30-Y85 HydrophobicContact CB-CG 4.3Å
31Q95Very high93.2Very high75 Ų7548.5 Ų48.535%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-126.9102173-168.1178.222.600109.4L37 A83 T84 Y86Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; Q31-A83 WeakPolarHBondContact O-CA 3.31Å; Q31-A83 WeakPolarHBondContact O-CB 3.49Å; Q31-T84 PolarHBondContact N-O 2.9Å; Q31-T84 PolarHBondContact O-N 3.5Å; Q31-Y86 HydrophobicContact CB-CE2 3.87Å; Q31-Y86 PolarHBondContact OE1-OH 2.85Å
32P94.2Very high93.3Very high10 Ų1048.5 Ų48.57%0.06528%0.284CS..  trans-65.3151.4170.5-18.231.4000111G34 K35 A83P32-G34 PolarHBondContact O-N 3.26Å; P32-K35 HydrophobicContact CB-CB 4.06Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.18Å; P32-K35 HydrophobicContact CG-CB 4.27Å; P32-K35 HydrophobicContact CG-CD 4.17Å; P32-K35 PolarHBondContact O-N 2.83Å; P32-A83 HydrophobicContact CG-CB 4.43Å
33P92.7Very high93.4Very high102 Ų10245.1 Ų45.166%0.66226%0.263SS*.THydrogen-bonded Turntrans-55.1127.5176.5-24.933.9000111.9K35 T82P33-K35 PolarHBondContact O-N 2.92Å; P33-T82 VanDerWaalsContact CD-O 3.3Å; P33-T82 WeakPolarHBondContact CD-O 3.35Å; P33-T82 HydrophobicContact CG-CG2 4.29Å
34G93.4Very high93.6Very high93 Ų9345 Ų4596%0.95925%0.25SC*.THydrogen-bonded Turntrans72.18.6179.900000115.5P32P32-G34 PolarHBondContact O-N 3.26Å
35K92.9Very high93.7Very high127 Ų12741.2 Ų41.255%0.55224%0.24SC*.SBendtrans-117.8166.6177.4-60.2-169-174.6175.40112.2P32 P33P32-K35 HydrophobicContact CB-CB 4.06Å; P32-K35 HydrophobicContact CB-CD 3.96Å; P32-K35 HydrophobicContact CB-CG 4.18Å; P32-K35 HydrophobicContact CG-CB 4.27Å; P32-K35 HydrophobicContact CG-CD 4.17Å; P32-K35 PolarHBondContact O-N 2.83Å; P33-K35 PolarHBondContact O-N 2.92Å
36G92.6Very high93.8Very high53 Ų5347.5 Ų47.555%0.54627%0.273SS..  trans-71.3178.3172.900000113.2
37L93.2Very high93.7Very high100 Ų10049 Ų4952%0.52429%0.289SS..  trans-71.4129.3173.8-69170.4000110.4V29 Q31 Y86 W98V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.73Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.3Å; L37-Y86 HydrophobicContact CD2-CD2 4.33Å; L37-Y86 HydrophobicContact CD2-CE2 4.25Å; L37-W98 HydrophobicContact CD1-CH2 3.97Å; L37-W98 HydrophobicContact CD1-CZ3 4.38Å; L37-W98 HydrophobicContact CD2-CZ3 4.43Å
38E93.1Very high93.7Very high62 Ų6251.3 Ų51.329%0.2931%0.305SS..EExtended strand (participates in β ladder)trans-111.4121176.7-67-179.4-177.300109.6V29 R30V29-E38 CarbonylContact C-O 3.46Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 WeakPolarHBondContact CG1-O 3.21Å; R30-E38 HydrophobicContact CG-CB 3.97Å; R30-E38 IonicContact CZ-OE2 2.92Å; R30-E38 PolarHBondContact N-O 2.97Å; R30-E38 IonicContact NE-OE2 4Å; R30-E38 PolarHBondContact NE-OE2 3.39Å; R30-E38 IonicContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact NH2-OE2 3.48Å; R30-E38 PolarHBondContact O-N 2.92Å
39W92.8Very high93.7Very high95 Ų9553.4 Ų53.436%0.3632%0.318SS..EExtended strand (participates in β ladder)trans-72.3133.3174.6-179.380.9000110.9T27 G41 V42 N50 Y51 H52T27-W39 VanDerWaalsContact OG1-CD1 3.23Å; T27-W39 PolarHBondContact OG1-NE1 2.64Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.24Å; W39-V42 HydrophobicContact CZ2-CB 4.19Å; W39-V42 HydrophobicContact CZ2-CG1 3.91Å; W39-N50 HydrophobicContact CH2-CB 4.07Å; W39-Y51 VanDerWaalsContact CZ3-C 3.43Å; W39-H52 HydrophobicContact CE3-CB 4.01Å; W39-H52 HydrophobicContact CZ3-CB 4.17Å; W39-H52 VanDerWaalsContact CZ3-N 3.34Å; W39-H52 WeakPolarHBondContact O-CB 3.41Å; W39-H52 PolarHBondContact O-CD2 3.07Å; W39-H52 VanDerWaalsContact O-CD2 3.26Å
40L93.6Very high93.6Very high1 Ų157.3 Ų57.31%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-103.7-39.3-177.8-64.5-176.2000113.2W28 R30 H52 L55 L59 L72 Y85W28-L40 HydrophobicContact CB-CB 4.04Å; W28-L40 HydrophobicContact CB-CD1 4.32Å; W28-L40 WeakPolarHBondContact O-CB 3.48Å; W28-L40 PolarHBondContact O-N 2.92Å; R30-L40 HydrophobicContact CB-CD1 4.05Å; R30-L40 HydrophobicContact CB-CD2 4.48Å; R30-L40 HydrophobicContact CB-CG 4.36Å; R30-L40 HydrophobicContact CG-CD1 4.26Å; R30-L40 HydrophobicContact CG-CD2 3.8Å; R30-L40 HydrophobicContact CG-CG 4.15Å; L40-H52 WeakPolarHBondContact O-CB 3.37Å; L40-H52 PolarHBondContact O-N 2.88Å; L40-L55 HydrophobicContact CD2-CD1 3.28Å; L40-L59 HydrophobicContact CB-CD1 4.03Å; L40-L59 HydrophobicContact CD1-CD1 4.25Å; L40-L59 HydrophobicContact CD2-CD1 4.26Å; L40-L59 HydrophobicContact CG-CD1 4.44Å; L40-L72 HydrophobicContact CD1-CD2 3.82Å; L40-Y85 HydrophobicContact CD1-CD1 3.71Å; L40-Y85 HydrophobicContact CD1-CE1 3.74Å
41G94.1Very high93.5Very high0 Ų058.9 Ų58.90%035%0.346CS..EExtended strand (participates in β ladder)trans164.7173.5-17300000112.4T27 W28 W39 N50T27-G41 CarbonylContact C-O 3.58Å; T27-G41 WeakPolarHBondContact CA-O 3.3Å; T27-G41 PolarHBondContact OG1-O 2.8Å; W28-G41 PolarHBondContact N-O 2.95Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 3.24Å; G41-N50 CarbonylContact C-O 3.51Å; G41-N50 WeakPolarHBondContact CA-O 3.42Å
42V94.3Very high93.2Very high5 Ų559 Ų593%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-141.2146.4178.561.70000109.7V26 W39 W44 T49 N50 T90V26-V42 WeakPolarHBondContact O-CA 3.37Å; W39-V42 HydrophobicContact CZ2-CB 4.19Å; W39-V42 HydrophobicContact CZ2-CG1 3.91Å; V42-W44 HydrophobicContact CG1-CZ2 3.91Å; V42-W44 HydrophobicContact CG2-CD2 3.99Å; V42-W44 HydrophobicContact CG2-CE3 4.25Å; V42-W44 HydrophobicContact CG2-CH2 4.36Å; V42-W44 HydrophobicContact CG2-CZ2 4.1Å; V42-W44 HydrophobicContact CG2-CZ3 4.43Å; V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.46Å; V42-N50 HydrophobicContact CG1-CB 3.86Å; V42-N50 PolarHBondContact N-O 3.14Å; V42-N50 PolarHBondContact O-N 2.86Å; V42-T90 HydrophobicContact CG2-CG2 3.45Å; V42-T90 VanDerWaalsContact CG2-CG2 3.45Å
43I95.3Very high92.8Very high9 Ų963.3 Ų63.35%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-115.1125.6161.3-171.7162.4000109.1G25 V26 S48 T49 I61 K63 V70G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.45Å; V26-I43 HydrophobicContact CB-CG2 4.4Å; V26-I43 PolarHBondContact N-O 2.78Å; V26-I43 PolarHBondContact O-N 3.14Å; I43-S48 WeakPolarHBondContact CA-O 3.49Å; I43-T49 HydrophobicContact CB-CG2 3.91Å; I43-T49 HydrophobicContact CD1-CG2 3.9Å; I43-T49 HydrophobicContact CG1-CG2 3.73Å; I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.48Å; I43-I61 HydrophobicContact CG2-CG2 3.65Å; I43-K63 HydrophobicContact CD1-CB 4.04Å; I43-K63 HydrophobicContact CD1-CD 3.87Å; I43-K63 HydrophobicContact CD1-CG 3.73Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.5Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å
44W94.4Very high92.3Very high80 Ų8061.9 Ų61.930%0.30337%0.373SS..  trans-87.2170.3-177.1-64109.4000112.2V42 D46 G47 S48 K63 T90V42-W44 HydrophobicContact CG1-CZ2 3.91Å; V42-W44 HydrophobicContact CG2-CD2 3.99Å; V42-W44 HydrophobicContact CG2-CE3 4.25Å; V42-W44 HydrophobicContact CG2-CH2 4.36Å; V42-W44 HydrophobicContact CG2-CZ2 4.1Å; V42-W44 HydrophobicContact CG2-CZ3 4.43Å; W44-D46 VanDerWaalsContact C-N 3.25Å; W44-D46 VanDerWaalsContact CB-OD1 3.29Å; W44-D46 WeakPolarHBondContact CB-OD1 3.46Å; W44-D46 PolarHBondContact O-N 2.85Å; W44-G47 WeakPolarHBondContact O-CA 3.49Å; W44-G47 PolarHBondContact O-N 2.74Å; W44-S48 VanDerWaalsContact CD1-OG 3.22Å; W44-S48 PolarHBondContact N-O 3.38Å; W44-K63 PolarHBondContact O-NZ 2.84Å; W44-T90 HydrophobicContact CE3-CG2 4.39Å; W44-T90 HydrophobicContact CH2-CG2 4.33Å; W44-T90 HydrophobicContact CZ3-CG2 3.91Å
45G92.5Very high91.6Very high17 Ų1758 Ų5818%0.17533%0.33CS..THydrogen-bonded Turntrans-57.7-36.9-179.900000113.4L21 T22 G47 K63L21-G45 WeakPolarHBondContact O-CA 3.48Å; T22-G45 CarbonylContact O-C 3.47Å; T22-G45 WeakPolarHBondContact O-CA 3.46Å; G45-G47 PolarHBondContact O-N 3.22Å; G45-K63 VanDerWaalsContact C-NZ 3.29Å; G45-K63 PolarHBondContact O-NZ 3.08Å
46D92.7Very high91.1Very high133 Ų13356.9 Ų56.971%0.71133%0.33SS*.THydrogen-bonded Turntrans-74.8-9.3175.367.3-5.7000114W44 S48W44-D46 VanDerWaalsContact C-N 3.25Å; W44-D46 VanDerWaalsContact CB-OD1 3.29Å; W44-D46 WeakPolarHBondContact CB-OD1 3.46Å; W44-D46 PolarHBondContact O-N 2.85Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.1Å; D46-S48 PolarHBondContact OD1-OG 2.95Å; D46-S48 PolarHBondContact OD2-OG 3.01Å
47G92.9Very high90.8Very high34 Ų3459.5 Ų59.535%0.35134%0.339SS..SBendtrans92.1-1.4-17900000114.6W44 G45W44-G47 WeakPolarHBondContact O-CA 3.49Å; W44-G47 PolarHBondContact O-N 2.74Å; G45-G47 PolarHBondContact O-N 3.22Å
48S93.6Very high90.7Very high51 Ų5156.4 Ų56.436%0.35732%0.321SS..  trans-64.2147.6171.863.40000110.9I43 W44 D46I43-S48 WeakPolarHBondContact CA-O 3.49Å; W44-S48 VanDerWaalsContact CD1-OG 3.22Å; W44-S48 PolarHBondContact N-O 3.38Å; D46-S48 WeakPolarHBondContact OD1-CB 3.39Å; D46-S48 PolarHBondContact OD1-N 3.1Å; D46-S48 PolarHBondContact OD1-OG 2.95Å; D46-S48 PolarHBondContact OD2-OG 3.01Å
49T94.6Very high90.6Very high47 Ų4753.9 Ų53.929%0.28831%0.309SS..EExtended strand (participates in β ladder)trans-127.5138.2-177.353.70000111.4V42 I43 Y51V42-T49 VanDerWaalsContact O-CA 3.24Å; V42-T49 WeakPolarHBondContact O-CA 3.46Å; I43-T49 HydrophobicContact CB-CG2 3.91Å; I43-T49 HydrophobicContact CD1-CG2 3.9Å; I43-T49 HydrophobicContact CG1-CG2 3.73Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.48Å
50N93.1Very high90.7Very high86 Ų8651.9 Ų51.946%0.4631%0.31SS..EExtended strand (participates in β ladder)trans-121.6146.6168.4-61.4-23.4000109W39 G41 V42W39-N50 HydrophobicContact CH2-CB 4.07Å; G41-N50 CarbonylContact C-O 3.51Å; G41-N50 WeakPolarHBondContact CA-O 3.42Å; V42-N50 HydrophobicContact CG1-CB 3.86Å; V42-N50 PolarHBondContact N-O 3.14Å; V42-N50 PolarHBondContact O-N 2.86Å
51Y91.9Very high90.8Very high57 Ų5752.2 Ų52.222%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-128.3152.8-175-60.2-73.4000111.3W39 T49 S53 I56 L59 I61W39-Y51 VanDerWaalsContact CZ3-C 3.43Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.44Å; T49-Y51 PolarHBondContact OG1-OH 3.48Å; Y51-S53 PolarHBondContact O-N 3.07Å; Y51-I56 HydrophobicContact CD2-CD1 4.24Å; Y51-I56 HydrophobicContact CD2-CG1 3.99Å; Y51-I56 HydrophobicContact CG-CG1 4.18Å; Y51-L59 HydrophobicContact CD1-CD2 3.39Å; Y51-L59 HydrophobicContact CE1-CD2 3.68Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 3.85Å; Y51-I61 HydrophobicContact CE1-CG1 3.89Å; Y51-I61 PolarHBondContact OH-N 2.74Å
52H89.1Confident90.8Very high77 Ų7755 Ų5536%0.35633%0.331SS..  trans-65.6125.5165.2-169.1-82.4000109.2W39 L40 A54 L55 I56W39-H52 HydrophobicContact CE3-CB 4.01Å; W39-H52 HydrophobicContact CZ3-CB 4.17Å; W39-H52 VanDerWaalsContact CZ3-N 3.34Å; W39-H52 WeakPolarHBondContact O-CB 3.41Å; W39-H52 PolarHBondContact O-CD2 3.07Å; W39-H52 VanDerWaalsContact O-CD2 3.26Å; L40-H52 WeakPolarHBondContact O-CB 3.37Å; L40-H52 PolarHBondContact O-N 2.88Å; H52-A54 PolarHBondContact ND1-N 2.97Å; H52-A54 PolarHBondContact O-N 3.08Å; H52-A54 VanDerWaalsContact O-N 3.13Å; H52-L55 PolarHBondContact O-N 3.25Å; H52-I56 PolarHBondContact O-N 3.01Å
53S85Confident90.9Very high100 Ų10056.9 Ų56.970%0.69934%0.339SS*.G310 helixtrans-54.9-37.7-171.355.10000113.2Y51 L55 I56Y51-S53 PolarHBondContact O-N 3.07Å; S53-L55 PolarHBondContact O-N 2.89Å; S53-I56 WeakPolarHBondContact O-CG2 3.24Å
54A82.5Confident90.9Very high73 Ų7358.3 Ų58.360%0.60335%0.346SS*.G310 helixtrans-67.4-17.2178.700000114.6H52H52-A54 PolarHBondContact ND1-N 2.97Å; H52-A54 PolarHBondContact O-N 3.08Å; H52-A54 VanDerWaalsContact O-N 3.13Å
55L79.7Confident90.9Very high11 Ų1158 Ų586%0.05835%0.35CS..G310 helixtrans-117.7-3-172.8-62.8175.2000113.4L40 H52 S53 S57 R58 L59L40-L55 HydrophobicContact CD2-CD1 3.28Å; H52-L55 PolarHBondContact O-N 3.25Å; S53-L55 PolarHBondContact O-N 2.89Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-S57 VanDerWaalsContact O-N 3.1Å; L55-R58 PolarHBondContact O-N 2.8Å; L55-L59 HydrophobicContact CB-CB 4.24Å; L55-L59 HydrophobicContact CB-CD1 4.28Å; L55-L59 HydrophobicContact CD1-CD1 4.35Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 PolarHBondContact O-N 3.15Å
56I81.5Confident90.9Very high104 Ų10462.1 Ų62.153%0.53338%0.377SS..THydrogen-bonded Turntrans-58.8-28.4-172.7-161.8165.6000114Y51 H52 S53 R58Y51-I56 HydrophobicContact CD2-CD1 4.24Å; Y51-I56 HydrophobicContact CD2-CG1 3.99Å; Y51-I56 HydrophobicContact CG-CG1 4.18Å; H52-I56 PolarHBondContact O-N 3.01Å; S53-I56 WeakPolarHBondContact O-CG2 3.24Å; I56-R58 VanDerWaalsContact C-N 3.34Å
57S86.9Confident91Very high108 Ų10861.9 Ų61.976%0.75537%0.369SS*.THydrogen-bonded Turntrans-77.2-19.2179.659.10000113.8L55L55-S57 PolarHBondContact O-N 2.86Å; L55-S57 VanDerWaalsContact O-N 3.1Å
58R90.8Very high91Very high34 Ų3462.4 Ų62.413%0.12837%0.368CS..THydrogen-bonded Turntrans-117.4-19.4-173.7-62.2-167.8-59.9124.51.7113.4L55 I56 L74 N75 S76 D81L55-R58 PolarHBondContact O-N 2.8Å; I56-R58 VanDerWaalsContact C-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.86Å; R58-L74 WeakPolarHBondContact O-CA 3.29Å; R58-N75 WeakPolarHBondContact CB-O 3.02Å; R58-N75 PolarHBondContact O-N 2.85Å; R58-S76 PolarHBondContact NH1-O 2.9Å; R58-D81 IonicContact CZ-OD1 3.86Å; R58-D81 IonicContact CZ-OD2 2.86Å; R58-D81 IonicContact NH1-OD1 3.38Å; R58-D81 IonicContact NH1-OD2 2.74Å; R58-D81 PolarHBondContact NH1-OD2 2.9Å; R58-D81 IonicContact NH2-OD1 3.54Å; R58-D81 PolarHBondContact NH2-OD1 2.84Å; R58-D81 VanDerWaalsContact NH2-OD1 3.14Å; R58-D81 IonicContact NH2-OD2 2.96Å; R58-D81 PolarHBondContact NH2-OD2 3.48Å
59L91.7Very high91.1Very high10 Ų1062.1 Ų62.15%0.05236%0.361CS..EExtended strand (participates in β ladder)trans-103.5137.4-170.9-164.2136000111.4L40 Y51 L55 I61 L72 K73 L74L40-L59 HydrophobicContact CB-CD1 4.03Å; L40-L59 HydrophobicContact CD1-CD1 4.25Å; L40-L59 HydrophobicContact CD2-CD1 4.26Å; L40-L59 HydrophobicContact CG-CD1 4.44Å; Y51-L59 HydrophobicContact CD1-CD2 3.39Å; Y51-L59 HydrophobicContact CE1-CD2 3.68Å; L55-L59 HydrophobicContact CB-CB 4.24Å; L55-L59 HydrophobicContact CB-CD1 4.28Å; L55-L59 HydrophobicContact CD1-CD1 4.35Å; L55-L59 WeakPolarHBondContact O-CB 3.42Å; L55-L59 PolarHBondContact O-N 3.15Å; L59-I61 HydrophobicContact CD2-CD1 3.88Å; L59-I61 HydrophobicContact CD2-CG1 3.84Å; L59-L72 HydrophobicContact CD1-CD1 3.88Å; L59-L72 HydrophobicContact CD2-CD1 3.75Å; L59-L72 HydrophobicContact CG-CD1 3.76Å; L59-K73 CarbonylContact C-O 3.53Å; L59-K73 WeakPolarHBondContact CA-O 3.48Å; L59-L74 HydrophobicContact CB-CD1 4.17Å; L59-L74 HydrophobicContact CD1-CD1 4.26Å
60S93.7Very high91.2Very high52 Ų5259.9 Ų59.936%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-137.9131.2176.4175.50000109.1K73S60-K73 PolarHBondContact N-O 3.2Å; S60-K73 PolarHBondContact O-N 2.88Å
61I95.6Very high91.3Very high8 Ų858 Ų584%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-115.6133.1176.3-60.5162.7000108.3I43 Y51 L59 V70 F71 L72I43-I61 HydrophobicContact CB-CG2 3.69Å; I43-I61 HydrophobicContact CD1-CG2 4.48Å; I43-I61 HydrophobicContact CG2-CG2 3.65Å; Y51-I61 HydrophobicContact CD1-CD1 4.12Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 3.85Å; Y51-I61 HydrophobicContact CE1-CG1 3.89Å; Y51-I61 PolarHBondContact OH-N 2.74Å; L59-I61 HydrophobicContact CD2-CD1 3.88Å; L59-I61 HydrophobicContact CD2-CG1 3.84Å; I61-V70 HydrophobicContact CG2-CG1 4.03Å; I61-F71 WeakPolarHBondContact CA-O 3.23Å; I61-L72 HydrophobicContact CD1-CD1 4.34Å; I61-L72 HydrophobicContact CG1-CD1 3.68Å
62S95.5Very high91.5Very high59 Ų5955.3 Ų55.341%0.41332%0.324SS..EExtended strand (participates in β ladder)trans-139.3167.7175.566.60000111V70 F71S62-V70 CarbonylContact O-C 3.43Å; S62-V70 WeakPolarHBondContact O-CA 3.3Å; S62-V70 WeakPolarHBondContact O-CG1 3.06Å; S62-F71 PolarHBondContact N-O 2.8Å; S62-F71 PolarHBondContact O-N 3.21Å
63K95.6Very high91.7Very high45 Ų4556.2 Ų56.220%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-141.4150.4178.269.3-176.7-174.6-179.90112.3L21 I43 W44 G45 N65 Q69 V70L21-K63 HydrophobicContact CB-CD 4.44Å; L21-K63 HydrophobicContact CD1-CB 4.41Å; L21-K63 PolarHBondContact O-NZ 2.91Å; I43-K63 HydrophobicContact CD1-CB 4.04Å; I43-K63 HydrophobicContact CD1-CD 3.87Å; I43-K63 HydrophobicContact CD1-CG 3.73Å; I43-K63 HydrophobicContact CG1-CD 4.09Å; I43-K63 HydrophobicContact CG1-CG 4.5Å; W44-K63 PolarHBondContact O-NZ 2.84Å; G45-K63 VanDerWaalsContact C-NZ 3.29Å; G45-K63 PolarHBondContact O-NZ 3.08Å; K63-N65 WeakPolarHBondContact CD-OD1 3.47Å; K63-N65 WeakPolarHBondContact CE-OD1 3.42Å; K63-Q69 CarbonylContact C-O 3.55Å; K63-Q69 VanDerWaalsContact CA-O 3.3Å; K63-Q69 WeakPolarHBondContact CA-O 3Å; K63-V70 HydrophobicContact CB-CG2 4.07Å
64D95.4Very high92Very high39 Ų3951.5 Ų51.521%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-120.7100.6169.6-176.3-16.6000108.3S66 K67 S68 Q69 F71D64-S66 PolarHBondContact O-N 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.27Å; D64-S66 PolarHBondContact OD1-N 3.37Å; D64-S66 PolarHBondContact OD1-OG 2.7Å; D64-K67 HydrophobicContact CB-CB 4.38Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 2.81Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 WeakPolarHBondContact OD2-CE 3.43Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.51Å; D64-S68 PolarHBondContact O-N 3.48Å; D64-Q69 PolarHBondContact N-O 2.83Å; D64-Q69 PolarHBondContact O-N 2.79Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; D64-F71 HydrophobicContact CB-CZ 4.46Å
65N93.6Very high92.3Very high72 Ų7250.4 Ų50.439%0.38528%0.278SS..G310 helixtrans-63.9-31.9-179-64.5-17.5000111.9L21 T22 K63 K67 S68L21-N65 VanDerWaalsContact CB-OD1 3.29Å; L21-N65 WeakPolarHBondContact CB-OD1 3.25Å; T22-N65 WeakPolarHBondContact CG2-ND2 3.37Å; K63-N65 WeakPolarHBondContact CD-OD1 3.47Å; K63-N65 WeakPolarHBondContact CE-OD1 3.42Å; N65-K67 VanDerWaalsContact C-N 3.26Å; N65-K67 PolarHBondContact O-N 3.25Å; N65-S68 PolarHBondContact O-N 3.05Å
66S93.1Very high92.7Very high105 Ų10553.2 Ų53.273%0.73430%0.299SS*.G310 helixtrans-67.8-30.3-178.574.30000112.1D64D64-S66 PolarHBondContact O-N 3.29Å; D64-S66 WeakPolarHBondContact OD1-CB 3.27Å; D64-S66 PolarHBondContact OD1-N 3.37Å; D64-S66 PolarHBondContact OD1-OG 2.7Å
67K94.4Very high93Very high127 Ų12748.4 Ų48.455%0.55227%0.274SS*.G310 helixtrans-100-2.2178.3-62.5-178.6-168.9159.40113.5D64 N65 Q69D64-K67 HydrophobicContact CB-CB 4.38Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 2.81Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 WeakPolarHBondContact OD2-CE 3.43Å; D64-K67 WeakPolarHBondContact OD2-CG 3.36Å; D64-K67 IonicContact OD2-NZ 3.51Å; N65-K67 VanDerWaalsContact C-N 3.26Å; N65-K67 PolarHBondContact O-N 3.25Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.08Å; K67-Q69 PolarHBondContact O-N 2.86Å
68S93.9Very high93.1Very high45 Ų4548 Ų4832%0.31526%0.26SS..THydrogen-bonded Turntrans52.245.2-171.1-58.90000111.9V16 D64 N65V16-S68 WeakPolarHBondContact CG2-O 3.33Å; V16-S68 PolarHBondContact N-O 2.91Å; V16-S68 WeakPolarHBondContact O-CB 3.29Å; D64-S68 PolarHBondContact O-N 3.48Å; N65-S68 PolarHBondContact O-N 3.05Å
69Q95.9Very high92.9Very high46 Ų4650 Ų5022%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-121.5142.7-176.7-76.8176.4-13.700112.3T13 C14 T15 K63 D64 K67 F71T13-Q69 HydrophobicContact CG2-CB 4.22Å; T13-Q69 HydrophobicContact CG2-CG 3.97Å; C14-Q69 CarbonylContact O-C 3.5Å; C14-Q69 WeakPolarHBondContact O-CA 3.37Å; T15-Q69 HydrophobicContact CG2-CG 4.39Å; T15-Q69 PolarHBondContact OG1-NE2 2.02Å; K63-Q69 CarbonylContact C-O 3.55Å; K63-Q69 VanDerWaalsContact CA-O 3.3Å; K63-Q69 WeakPolarHBondContact CA-O 3Å; D64-Q69 PolarHBondContact N-O 2.83Å; D64-Q69 PolarHBondContact O-N 2.79Å; K67-Q69 HydrophobicContact CB-CB 4.26Å; K67-Q69 HydrophobicContact CB-CG 4.08Å; K67-Q69 PolarHBondContact O-N 2.86Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 3.91Å; Q69-F71 HydrophobicContact CB-CZ 3.63Å
70V96Very high92.7Very high0 Ų055 Ų550%030%0.303CS..EExtended strand (participates in β ladder)trans-122.9137.7171.4-176.20000108.3C14 L21 V26 W28 I43 I61 S62 K63C14-V70 PolarHBondContact N-O 2.86Å; C14-V70 PolarHBondContact O-N 2.96Å; L21-V70 HydrophobicContact CD1-CG2 3.9Å; L21-V70 HydrophobicContact CD2-CG2 3.6Å; L21-V70 HydrophobicContact CG-CG2 4.44Å; V26-V70 HydrophobicContact CB-CB 4.42Å; V26-V70 HydrophobicContact CB-CG1 4.25Å; V26-V70 HydrophobicContact CB-CG2 3.9Å; V26-V70 HydrophobicContact CG1-CB 4.24Å; V26-V70 HydrophobicContact CG1-CG1 4.16Å; V26-V70 HydrophobicContact CG1-CG2 4.17Å; V26-V70 HydrophobicContact CG2-CG2 3.76Å; W28-V70 HydrophobicContact CZ2-CG1 4.27Å; I43-V70 HydrophobicContact CG2-CG1 3.73Å; I61-V70 HydrophobicContact CG2-CG1 4.03Å; S62-V70 CarbonylContact O-C 3.43Å; S62-V70 WeakPolarHBondContact O-CA 3.3Å; S62-V70 WeakPolarHBondContact O-CG1 3.06Å; K63-V70 HydrophobicContact CB-CG2 4.07Å
71F95.6Very high92.5Very high45 Ų4552.6 Ų52.620%0.19729%0.286CS..EExtended strand (participates in β ladder)trans-117.4134.9-175.5-51.9-86.9000109.9I12 T13 I61 S62 D64 Q69I12-F71 CarbonylContact O-C 3.53Å; I12-F71 WeakPolarHBondContact O-CA 2.99Å; T13-F71 HydrophobicContact CG2-CD1 3.96Å; T13-F71 HydrophobicContact CG2-CE1 3.59Å; T13-F71 HydrophobicContact CG2-CZ 4.38Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.34Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.25Å; I61-F71 WeakPolarHBondContact CA-O 3.23Å; S62-F71 PolarHBondContact N-O 2.8Å; S62-F71 PolarHBondContact O-N 3.21Å; D64-F71 HydrophobicContact CB-CE2 3.88Å; D64-F71 HydrophobicContact CB-CZ 4.46Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 3.91Å; Q69-F71 HydrophobicContact CB-CZ 3.63Å
72L95.2Very high92.3Very high1 Ų153.7 Ų53.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-109.9116.4167.4-179.172.4000108.2S11 I12 W28 L40 L59 I61 Y85S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.29Å; I12-L72 HydrophobicContact CB-CB 4.33Å; I12-L72 HydrophobicContact CD1-CD2 4.22Å; I12-L72 PolarHBondContact N-O 2.92Å; I12-L72 PolarHBondContact O-N 3.17Å; W28-L72 HydrophobicContact CB-CD1 4.28Å; W28-L72 HydrophobicContact CD2-CB 3.74Å; W28-L72 HydrophobicContact CD2-CD1 4.35Å; W28-L72 HydrophobicContact CD2-CD2 4.07Å; W28-L72 HydrophobicContact CD2-CG 4.28Å; W28-L72 HydrophobicContact CE3-CB 4.01Å; W28-L72 HydrophobicContact CE3-CD2 3.87Å; W28-L72 HydrophobicContact CE3-CG 4.48Å; W28-L72 HydrophobicContact CG-CB 4.27Å; W28-L72 HydrophobicContact CG-CD1 4.03Å; W28-L72 HydrophobicContact CG-CD2 4.36Å; W28-L72 HydrophobicContact CG-CG 4.46Å; W28-L72 HydrophobicContact CH2-CB 4.02Å; W28-L72 HydrophobicContact CZ2-CB 3.77Å; W28-L72 HydrophobicContact CZ3-CB 4.14Å; W28-L72 HydrophobicContact CZ3-CD2 4.39Å; L40-L72 HydrophobicContact CD1-CD2 3.82Å; L59-L72 HydrophobicContact CD1-CD1 3.88Å; L59-L72 HydrophobicContact CD2-CD1 3.75Å; L59-L72 HydrophobicContact CG-CD1 3.76Å; I61-L72 HydrophobicContact CD1-CD1 4.34Å; I61-L72 HydrophobicContact CG1-CD1 3.68Å; L72-Y85 HydrophobicContact CD2-CD1 3.64Å; L72-Y85 HydrophobicContact CD2-CE1 4.08Å
73K93.3Very high92.3Very high96 Ų9651 Ų5142%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-107.7126.8172.6-171.3174.9-178179.90109.7L10 L59 S60 N75L10-K73 CarbonylContact O-C 3.46Å; L10-K73 VanDerWaalsContact O-CA 3.29Å; L10-K73 WeakPolarHBondContact O-CA 2.99Å; L59-K73 CarbonylContact C-O 3.53Å; L59-K73 WeakPolarHBondContact CA-O 3.48Å; S60-K73 PolarHBondContact N-O 3.2Å; S60-K73 PolarHBondContact O-N 2.88Å; K73-N75 VanDerWaalsContact CE-OD1 3.31Å; K73-N75 WeakPolarHBondContact CE-OD1 3.3Å
74L91.4Very high92.2Very high1 Ų150.5 Ų50.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-121.8119.6175-174.960.9000108.6S9 L10 R58 L59 L77 D81S9-L74 CarbonylContact C-O 3.57Å; S9-L74 VanDerWaalsContact CA-O 3.29Å; S9-L74 WeakPolarHBondContact CA-O 3.49Å; L10-L74 HydrophobicContact CB-CB 4.44Å; L10-L74 PolarHBondContact N-O 3.27Å; L10-L74 PolarHBondContact O-N 2.84Å; R58-L74 HydrophobicContact CB-CD1 3.86Å; R58-L74 WeakPolarHBondContact O-CA 3.29Å; L59-L74 HydrophobicContact CB-CD1 4.17Å; L59-L74 HydrophobicContact CD1-CD1 4.26Å; L74-L77 HydrophobicContact CB-CD2 4.32Å; L74-L77 HydrophobicContact CD2-CD2 3.7Å; L74-L77 HydrophobicContact CG-CD2 3.97Å; L74-D81 HydrophobicContact CD2-CB 3.93Å
75N90.4Very high92.2Very high51 Ų5148.8 Ų48.827%0.27327%0.266SS..  trans-96.5156.8179.6-59.4-50.6000110.8S9 R58 K73 L77S9-N75 PolarHBondContact OG-OD1 2.77Å; R58-N75 WeakPolarHBondContact CB-O 3.02Å; R58-N75 PolarHBondContact O-N 2.85Å; K73-N75 VanDerWaalsContact CE-OD1 3.31Å; K73-N75 WeakPolarHBondContact CE-OD1 3.3Å; N75-L77 PolarHBondContact O-N 2.86Å
76S87.7Confident92.3Very high69 Ų6947.5 Ų47.548%0.48326%0.256SS..SBendtrans52.558.3176.9-55.40000111.6Q8 R58Q8-S76 PolarHBondContact O-N 2.94Å; R58-S76 PolarHBondContact NH1-O 2.9Å
77L87.8Confident92.3Very high4 Ų443.1 Ų43.12%0.02123%0.226CC..  trans-55.9138.7-179.4-71165.8000111.8V4 S7 Q8 L10 L74 N75 D81 V106V4-L77 HydrophobicContact CB-CD1 3.78Å; V4-L77 HydrophobicContact CG1-CD1 4.33Å; V4-L77 HydrophobicContact CG2-CD1 3.75Å; S7-L77 PolarHBondContact N-O 2.97Å; S7-L77 VanDerWaalsContact N-O 3.08Å; Q8-L77 HydrophobicContact CB-CD1 4.49Å; Q8-L77 WeakPolarHBondContact O-CD1 3.42Å; Q8-L77 VanDerWaalsContact O-CG 3.27Å; Q8-L77 WeakPolarHBondContact O-CG 3.04Å; Q8-L77 PolarHBondContact O-N 3.31Å; L10-L77 HydrophobicContact CB-CD1 3.88Å; L10-L77 HydrophobicContact CB-CD2 3.88Å; L10-L77 HydrophobicContact CB-CG 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.3Å; L74-L77 HydrophobicContact CB-CD2 4.32Å; L74-L77 HydrophobicContact CD2-CD2 3.7Å; L74-L77 HydrophobicContact CG-CD2 3.97Å; N75-L77 PolarHBondContact O-N 2.86Å; L77-D81 HydrophobicContact CD2-CB 4.04Å; L77-V106 HydrophobicContact CB-CG1 4.3Å; L77-V106 HydrophobicContact CB-CG2 4.23Å; L77-V106 HydrophobicContact CD1-CG2 4.45Å; L77-V106 HydrophobicContact CD2-CG2 4.36Å
78Q88.9Confident92.3Very high99 Ų9937.2 Ų37.246%0.46320%0.2SC..  trans-115.2159.6174.8-62.8176.1-11.600109.2D80 D81Q78-D80 PolarHBondContact O-N 2.87Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; Q78-D81 PolarHBondContact N-OD2 3.36Å; Q78-D81 VanDerWaalsContact O-CB 3.31Å; Q78-D81 WeakPolarHBondContact O-CB 3.37Å; Q78-D81 PolarHBondContact O-N 3.01Å
79T86.1Confident92.1Very high75 Ų7536.4 Ų36.446%0.4619%0.191SC..G310 helixtrans-54.3-34.2175.846.20000112.2D81 T82T79-D81 PolarHBondContact O-N 2.79Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.29Å; T79-T82 PolarHBondContact O-N 2.78Å; T79-T82 VanDerWaalsContact O-N 3.07Å; T79-T82 PolarHBondContact O-OG1 3.12Å
80D86.8Confident91.7Very high116 Ų11635 Ų3562%0.6219%0.186SC*.G310 helixtrans-69.1-12.3178.5-67.15000113.6Q78 T82Q78-D80 PolarHBondContact O-N 2.87Å; Q78-D80 VanDerWaalsContact O-N 3.15Å; D80-T82 PolarHBondContact O-N 3.23Å
81D89.6Confident90.9Very high1 Ų136.2 Ų36.21%0.00520%0.198CC..G310 helixtrans-82.70.9172.7-59.5-44.1000112.2R30 R58 L74 L77 Q78 T79 A83 Y85 V106R30-D81 IonicContact NH1-OD1 3.37Å; R30-D81 PolarHBondContact NH1-OD1 3.17Å; R58-D81 IonicContact CZ-OD1 3.86Å; R58-D81 IonicContact CZ-OD2 2.86Å; R58-D81 IonicContact NH1-OD1 3.38Å; R58-D81 IonicContact NH1-OD2 2.74Å; R58-D81 PolarHBondContact NH1-OD2 2.9Å; R58-D81 IonicContact NH2-OD1 3.54Å; R58-D81 PolarHBondContact NH2-OD1 2.84Å; R58-D81 VanDerWaalsContact NH2-OD1 3.14Å; R58-D81 IonicContact NH2-OD2 2.96Å; R58-D81 PolarHBondContact NH2-OD2 3.48Å; L74-D81 HydrophobicContact CD2-CB 3.93Å; L77-D81 HydrophobicContact CD2-CB 4.04Å; Q78-D81 PolarHBondContact N-OD2 3.36Å; Q78-D81 VanDerWaalsContact O-CB 3.31Å; Q78-D81 WeakPolarHBondContact O-CB 3.37Å; Q78-D81 PolarHBondContact O-N 3.01Å; T79-D81 PolarHBondContact O-N 2.79Å; D81-A83 PolarHBondContact O-N 2.78Å; D81-A83 VanDerWaalsContact O-N 3.17Å; D81-Y85 WeakPolarHBondContact O-CE2 3.33Å; D81-Y85 PolarHBondContact O-OH 2.83Å; D81-V106 HydrophobicContact CB-CG2 4.42Å
82T92.3Very high89.5Confident31 Ų3141.9 Ų41.919%0.1923%0.23CC..  trans-64.4111.3169.5-64.70000110.2P33 T79 D80 V104 T105 V106P33-T82 VanDerWaalsContact CD-O 3.3Å; P33-T82 WeakPolarHBondContact CD-O 3.35Å; P33-T82 HydrophobicContact CG-CG2 4.29Å; T79-T82 VanDerWaalsContact O-CB 3.25Å; T79-T82 WeakPolarHBondContact O-CB 3.29Å; T79-T82 PolarHBondContact O-N 2.78Å; T79-T82 VanDerWaalsContact O-N 3.07Å; T79-T82 PolarHBondContact O-OG1 3.12Å; D80-T82 PolarHBondContact O-N 3.23Å; T82-V104 WeakPolarHBondContact CA-O 3.44Å; T82-T105 HydrophobicContact CG2-CG2 4.42Å; T82-V106 PolarHBondContact OG1-N 3.08Å; T82-V106 PolarHBondContact OG1-O 2.85Å
83A94.3Very high87.7Confident3 Ų349.7 Ų49.73%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-165168.3-176.300000111.2R30 Q31 P32 D81 Y85 V104R30-A83 HydrophobicContact CB-CB 3.86Å; R30-A83 HydrophobicContact CG-CB 4.28Å; Q31-A83 WeakPolarHBondContact O-CA 3.31Å; Q31-A83 WeakPolarHBondContact O-CB 3.49Å; P32-A83 HydrophobicContact CG-CB 4.43Å; D81-A83 PolarHBondContact O-N 2.78Å; D81-A83 VanDerWaalsContact O-N 3.17Å; A83-Y85 HydrophobicContact CB-CD2 4.34Å; A83-Y85 HydrophobicContact CB-CE2 3.88Å; A83-Y85 WeakPolarHBondContact O-CD2 3.36Å; A83-V104 PolarHBondContact N-O 2.8Å; A83-V104 VanDerWaalsContact N-O 3.16Å; A83-V104 PolarHBondContact O-N 2.79Å
84T95.3Very high86.1Confident35 Ų3547 Ų4722%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-91.7124.9160.6-56.80000109.2R30 Q31 Y86 T102R30-T84 CarbonylContact C-O 3.58Å; R30-T84 VanDerWaalsContact CA-O 3.25Å; R30-T84 WeakPolarHBondContact CA-O 3.47Å; Q31-T84 PolarHBondContact N-O 2.9Å; Q31-T84 PolarHBondContact O-N 3.5Å; T84-Y86 HydrophobicContact CG2-CD1 4.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.75Å; T84-Y86 HydrophobicContact CG2-CE2 3.72Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.29Å; T84-Y86 WeakPolarHBondContact O-CD2 3.46Å; T84-Y86 WeakPolarHBondContact O-CE2 3.44Å; T84-T102 WeakPolarHBondContact CA-O 3.44Å
85Y95.1Very high84.8Confident2 Ų250.4 Ų50.41%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-101.8126.7-176.8-69.9-100.9000110.4L10 I12 V29 R30 L40 L72 D81 A83 G101 T102 V104L10-Y85 HydrophobicContact CD2-CE2 4.41Å; I12-Y85 HydrophobicContact CD1-CD1 3.75Å; I12-Y85 HydrophobicContact CD1-CD2 3.78Å; I12-Y85 HydrophobicContact CD1-CE1 4.48Å; I12-Y85 HydrophobicContact CD1-CG 3.34Å; V29-Y85 CarbonylContact O-C 3.56Å; R30-Y85 HydrophobicContact CB-CD1 3.9Å; R30-Y85 HydrophobicContact CB-CE1 3.95Å; R30-Y85 HydrophobicContact CB-CG 4.3Å; L40-Y85 HydrophobicContact CD1-CD1 3.71Å; L40-Y85 HydrophobicContact CD1-CE1 3.74Å; L72-Y85 HydrophobicContact CD2-CD1 3.64Å; L72-Y85 HydrophobicContact CD2-CE1 4.08Å; D81-Y85 WeakPolarHBondContact O-CE2 3.33Å; D81-Y85 PolarHBondContact O-OH 2.83Å; A83-Y85 HydrophobicContact CB-CD2 4.34Å; A83-Y85 HydrophobicContact CB-CE2 3.88Å; A83-Y85 WeakPolarHBondContact O-CD2 3.36Å; Y85-G101 CarbonylContact O-C 3.58Å; Y85-G101 VanDerWaalsContact O-CA 3.23Å; Y85-G101 WeakPolarHBondContact O-CA 3.41Å; Y85-T102 PolarHBondContact N-O 2.79Å; Y85-T102 PolarHBondContact O-N 2.73Å; Y85-V104 HydrophobicContact CD2-CB 4.08Å; Y85-V104 HydrophobicContact CD2-CG2 3.84Å; Y85-V104 HydrophobicContact CE2-CB 3.89Å; Y85-V104 HydrophobicContact CE2-CG2 4.08Å
86Y94.8Very high83.8Confident45 Ų4552.9 Ų52.918%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-117.2143-178.9-53.6-87.3000109.9W28 V29 Q31 L37 T84 W98W28-Y86 WeakPolarHBondContact CA-O 3.31Å; V29-Y86 PolarHBondContact N-O 3.16Å; V29-Y86 PolarHBondContact O-N 3.42Å; Q31-Y86 HydrophobicContact CB-CE2 3.87Å; Q31-Y86 PolarHBondContact OE1-OH 2.85Å; L37-Y86 HydrophobicContact CD2-CD2 4.33Å; L37-Y86 HydrophobicContact CD2-CE2 4.25Å; T84-Y86 HydrophobicContact CG2-CD1 4.48Å; T84-Y86 HydrophobicContact CG2-CD2 4.45Å; T84-Y86 HydrophobicContact CG2-CE1 3.75Å; T84-Y86 HydrophobicContact CG2-CE2 3.72Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.29Å; T84-Y86 WeakPolarHBondContact O-CD2 3.46Å; T84-Y86 WeakPolarHBondContact O-CE2 3.44Å; Y86-W98 HydrophobicContact CG-CE3 4.15Å; Y86-W98 HydrophobicContact CG-CZ3 4.28Å
87C94.3Very high83.4Confident14 Ų1456.8 Ų56.810%0.09530%0.303CS..EExtended strand (participates in β ladder)trans-105.6145.5161.957.60000108.7C14 V26 T27 W28 G99C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.4Å; C14-C87 WeakPolarHBondContact SG-CB 3.3Å; C14-C87 CovalentContact SG-SG 2.02Å; C14-C87 PolarHBondContact SG-SG 2.86Å; V26-C87 HydrophobicContact CG1-CB 3.92Å; T27-C87 CarbonylContact O-C 3.57Å; T27-C87 VanDerWaalsContact O-CA 3.3Å; T27-C87 WeakPolarHBondContact O-CA 3.43Å; W28-C87 HydrophobicContact CD2-CB 4.21Å; W28-C87 HydrophobicContact CE3-CB 4.05Å; W28-C87 HydrophobicContact CH2-CB 4.07Å; W28-C87 HydrophobicContact CZ2-CB 4.2Å; W28-C87 HydrophobicContact CZ3-CB 3.98Å; C87-G99 PolarHBondContact O-N 2.6Å
88A92.7Very high83.5Confident2 Ų261.7 Ų61.72%0.01732%0.321CS..EExtended strand (participates in β ladder)trans-137.4148.1172.800000111.2V26 T27 Y97 W98V26-A88 CarbonylContact C-O 3.43Å; V26-A88 VanDerWaalsContact CA-O 3.29Å; V26-A88 WeakPolarHBondContact CA-O 3.33Å; T27-A88 HydrophobicContact CG2-CB 3.81Å; T27-A88 WeakPolarHBondContact CG2-O 3.41Å; T27-A88 PolarHBondContact N-O 2.77Å; T27-A88 PolarHBondContact O-N 3.45Å; A88-Y97 CarbonylContact C-O 3.58Å; A88-Y97 WeakPolarHBondContact CA-O 3.49Å; A88-Y97 VanDerWaalsContact CB-O 3.3Å; A88-Y97 WeakPolarHBondContact CB-O 3.43Å; A88-W98 HydrophobicContact CB-CD2 3.89Å; A88-W98 HydrophobicContact CB-CE3 4.34Å; A88-W98 HydrophobicContact CB-CG 4.03Å
89K91.6Very high83.4Confident28 Ų2858.3 Ų58.312%0.12231%0.313CS..EExtended strand (participates in β ladder)trans-63.9137.2168.2-177.5-166.9172.8-165.60108.4F19 Y24 M95 Y97F19-K89 HydrophobicContact CD1-CB 4.41Å; F19-K89 HydrophobicContact CD1-CD 3.9Å; F19-K89 HydrophobicContact CD1-CG 4.13Å; F19-K89 HydrophobicContact CD2-CD 4.48Å; F19-K89 HydrophobicContact CD2-CG 4.22Å; F19-K89 HydrophobicContact CE1-CB 3.8Å; F19-K89 HydrophobicContact CE1-CD 4.14Å; F19-K89 HydrophobicContact CE1-CG 3.94Å; F19-K89 HydrophobicContact CE2-CB 4.41Å; F19-K89 HydrophobicContact CE2-CG 4.01Å; F19-K89 HydrophobicContact CG-CD 4.07Å; F19-K89 HydrophobicContact CG-CG 4.26Å; F19-K89 HydrophobicContact CZ-CB 3.78Å; F19-K89 HydrophobicContact CZ-CG 3.86Å; Y24-K89 HydrophobicContact CD1-CD 4.45Å; Y24-K89 HydrophobicContact CD1-CG 4.5Å; Y24-K89 VanDerWaalsContact CE1-CE 3.41Å; Y24-K89 HydrophobicContact CG-CD 4.49Å; Y24-K89 VanDerWaalsContact CG-CE 3.41Å; Y24-K89 HydrophobicContact CG-CG 4.42Å; K89-M95 WeakPolarHBondContact O-CA 3.47Å; K89-Y97 HydrophobicContact CB-CD2 4.44Å; K89-Y97 HydrophobicContact CD-CD2 3.76Å; K89-Y97 HydrophobicContact CD-CE2 4.36Å; K89-Y97 PolarHBondContact N-O 3.3Å
90T87.4Confident83.4Confident18 Ų1864 Ų6411%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-135.3150173.4-1740000111.3G25 T27 V42 W44G25-T90 PolarHBondContact N-O 3.01Å; G25-T90 PolarHBondContact O-N 3.23Å; T27-T90 HydrophobicContact CG2-CG2 4.35Å; V42-T90 HydrophobicContact CG2-CG2 3.45Å; V42-T90 VanDerWaalsContact CG2-CG2 3.45Å; W44-T90 HydrophobicContact CE3-CG2 4.39Å; W44-T90 HydrophobicContact CH2-CG2 4.33Å; W44-T90 HydrophobicContact CZ3-CG2 3.91Å
91G79.3Confident83.6Confident24 Ų2459.8 Ų59.825%0.24732%0.318CS..  trans-164.4-155.8-173.600000110.8D93G91-D93 VanDerWaalsContact C-N 3.26Å; G91-D93 PolarHBondContact O-N 3.04Å; G91-D93 VanDerWaalsContact O-N 3.08Å
92N66.1Low83.7Confident164 Ų16462.7 Ų62.788%0.87734%0.336SS*.SBendtrans-57.7-27.4-168.1-77.5-6.8000115.4
93D55.7Low83.7Confident166 Ų16663.8 Ų63.889%0.88835%0.345SS*.SBendtrans-1559.7178.8-77.4-60.4000116.8G91G91-D93 VanDerWaalsContact C-N 3.26Å; G91-D93 PolarHBondContact O-N 3.04Å; G91-D93 VanDerWaalsContact O-N 3.08Å
94A59.8Low83.4Confident39 Ų3963.7 Ų63.732%0.32234%0.344SS..  trans-156148.6-178.300000117.1D96A94-D96 WeakPolarHBondContact CB-OD1 3.43Å
95M65.3Low83.1Confident73 Ų7364.8 Ų64.836%0.3635%0.351SS..  trans-94.169.2167.4-69.3168.6117.100109.8T27 V29 K89 Y97 W98T27-M95 HydrophobicContact CG2-CE 3.2Å; T27-M95 HydrophobicContact CG2-CG 4.22Å; V29-M95 HydrophobicContact CG2-CE 3.59Å; K89-M95 WeakPolarHBondContact O-CA 3.47Å; M95-Y97 PolarHBondContact O-N 3.3Å; M95-W98 HydrophobicContact CB-CZ2 4.3Å; M95-W98 HydrophobicContact CE-CH2 4.01Å; M95-W98 HydrophobicContact CE-CZ2 3.86Å; M95-W98 PolarHBondContact O-NE1 3.36Å; M95-W98 VanDerWaalsContact O-NE1 3.14Å; M95-W98 HydrophobicContact SD-CH2 4.44Å; M95-W98 HydrophobicContact SD-CZ2 3.8Å
96D69Low82.6Confident102 Ų10265 Ų6555%0.54535%0.352SS..  trans-75.3-24.7-167-62.9-42.6000114.7A94A94-D96 WeakPolarHBondContact CB-OD1 3.43Å
97Y80.1Confident81.8Confident152 Ų15265.5 Ų65.560%0.59636%0.362SS*.  trans-134.6119-173.1-64.1-84.6000111A88 K89 M95A88-Y97 CarbonylContact C-O 3.58Å; A88-Y97 WeakPolarHBondContact CA-O 3.49Å; A88-Y97 VanDerWaalsContact CB-O 3.3Å; A88-Y97 WeakPolarHBondContact CB-O 3.43Å; K89-Y97 HydrophobicContact CB-CD2 4.44Å; K89-Y97 HydrophobicContact CD-CD2 3.76Å; K89-Y97 HydrophobicContact CD-CE2 4.36Å; K89-Y97 PolarHBondContact N-O 3.3Å; M95-Y97 PolarHBondContact O-N 3.3Å
98W88.3Confident80.3Confident107 Ų10772.6 Ų72.641%0.40541%0.412SS..BIsolated β-bridgetrans-107.7138.2179.1-69.868.9000111V29 L37 Y86 A88 M95V29-W98 HydrophobicContact CB-CH2 4.11Å; V29-W98 HydrophobicContact CB-CZ3 3.9Å; V29-W98 HydrophobicContact CG1-CH2 4.09Å; V29-W98 HydrophobicContact CG1-CZ3 4.07Å; V29-W98 HydrophobicContact CG2-CH2 3.81Å; V29-W98 HydrophobicContact CG2-CZ3 4.03Å; L37-W98 HydrophobicContact CD1-CH2 3.97Å; L37-W98 HydrophobicContact CD1-CZ3 4.38Å; L37-W98 HydrophobicContact CD2-CZ3 4.43Å; Y86-W98 HydrophobicContact CG-CE3 4.15Å; Y86-W98 HydrophobicContact CG-CZ3 4.28Å; A88-W98 HydrophobicContact CB-CD2 3.89Å; A88-W98 HydrophobicContact CB-CE3 4.34Å; A88-W98 HydrophobicContact CB-CG 4.03Å; M95-W98 HydrophobicContact CB-CZ2 4.3Å; M95-W98 HydrophobicContact CE-CH2 4.01Å; M95-W98 HydrophobicContact CE-CZ2 3.86Å; M95-W98 PolarHBondContact O-NE1 3.36Å; M95-W98 VanDerWaalsContact O-NE1 3.14Å; M95-W98 HydrophobicContact SD-CH2 4.44Å; M95-W98 HydrophobicContact SD-CZ2 3.8Å
99G86.8Confident79.7Confident28 Ų2876.2 Ų76.229%0.28943%0.432SS..  trans-68.9160.9167.200000111.5C87 G101C87-G99 PolarHBondContact O-N 2.6Å; G99-G101 PolarHBondContact O-N 3.37Å
100Q87.9Confident79.1Confident195 Ų19578.7 Ų78.791%0.91145%0.448SS*.  trans-62.8-14.1-178.9-66.6-65.8-47.600114.3
101G89.8Confident78.6Confident27 Ų2782.1 Ų82.128%0.27847%0.467SS..  trans85.4148.7-178.500000113.1Y85 G99Y85-G101 CarbonylContact O-C 3.58Å; Y85-G101 VanDerWaalsContact O-CA 3.23Å; Y85-G101 WeakPolarHBondContact O-CA 3.41Å; G99-G101 PolarHBondContact O-N 3.37Å
102T91.9Very high78.6Confident61 Ų6185.5 Ų85.537%0.37448%0.48SS..EExtended strand (participates in β ladder)trans-120.2112.2176-61.10000108.8I12 T84 Y85 V104I12-T102 HydrophobicContact CG2-CG2 4.33Å; T84-T102 WeakPolarHBondContact CA-O 3.44Å; Y85-T102 PolarHBondContact N-O 2.79Å; Y85-T102 PolarHBondContact O-N 2.73Å; T102-V104 HydrophobicContact CG2-CG2 4.18Å
103S91.6Very high79.4Confident54 Ų5480.6 Ų80.638%0.37846%0.455SS..EExtended strand (participates in β ladder)trans-76.1125.7175-172.50000110.7P1 G2P1-S103 WeakPolarHBondContact CA-O 3.4Å; G2-S103 PolarHBondContact N-O 3.39Å
104V89.3Confident81Confident2 Ų274.9 Ų74.91%0.01243%0.426CS..EExtended strand (participates in β ladder)trans-125.2130.2179.21790000108.9V4 L10 I12 T82 A83 Y85 T102V4-V104 HydrophobicContact CG2-CG1 3.58Å; L10-V104 HydrophobicContact CD1-CG1 4.22Å; L10-V104 HydrophobicContact CD1-CG2 4.15Å; L10-V104 HydrophobicContact CD2-CB 4.44Å; L10-V104 HydrophobicContact CD2-CG1 3.93Å; L10-V104 HydrophobicContact CD2-CG2 4Å; I12-V104 HydrophobicContact CD1-CG2 4.3Å; T82-V104 WeakPolarHBondContact CA-O 3.44Å; A83-V104 PolarHBondContact N-O 2.8Å; A83-V104 VanDerWaalsContact N-O 3.16Å; A83-V104 PolarHBondContact O-N 2.79Å; Y85-V104 HydrophobicContact CD2-CB 4.08Å; Y85-V104 HydrophobicContact CD2-CG2 3.84Å; Y85-V104 HydrophobicContact CE2-CB 3.89Å; Y85-V104 HydrophobicContact CE2-CG2 4.08Å; T102-V104 HydrophobicContact CG2-CG2 4.18Å
105T88.5Confident82.5Confident58 Ų5877.4 Ų77.436%0.35643%0.434SS..EExtended strand (participates in β ladder)trans-119122177.3-54.50000109.2G2 L3 V4 T82G2-T105 PolarHBondContact O-N 3.31Å; G2-T105 VanDerWaalsContact O-N 3.07Å; L3-T105 HydrophobicContact CD1-CG2 4.38Å; V4-T105 PolarHBondContact N-O 2.98Å; V4-T105 VanDerWaalsContact N-O 3.15Å; T82-T105 HydrophobicContact CG2-CG2 4.42Å
106V83.9Confident83.8Confident7 Ų777.8 Ų77.84%0.04244%0.439CS..EExtended strand (participates in β ladder)trans-105.2109.4174-173.50000107.8V4 P6 L77 D81 T82V4-V106 HydrophobicContact CG2-CG2 3.88Å; V4-V106 WeakPolarHBondContact O-CA 3.32Å; P6-V106 HydrophobicContact CG-CG1 4.26Å; L77-V106 HydrophobicContact CB-CG1 4.3Å; L77-V106 HydrophobicContact CB-CG2 4.23Å; L77-V106 HydrophobicContact CD1-CG2 4.45Å; L77-V106 HydrophobicContact CD2-CG2 4.36Å; D81-V106 HydrophobicContact CB-CG2 4.42Å; T82-V106 PolarHBondContact OG1-N 3.08Å; T82-V106 PolarHBondContact OG1-O 2.85Å
107S78.1Confident85Confident55 Ų5575.8 Ų75.839%0.38543%0.431SS..  trans-118.8138.6179.1600000110.6L3 P6L3-S107 WeakPolarHBondContact CD1-OG 3.38Å; P6-S107 WeakPolarHBondContact CD-O 3.21Å
108S64Low85.5Confident163 Ų16368.8 Ų68.8100%1.1442%0.415SS*.  trans-67.10172.757.70000113

Retrieved 108 of 108 residues in 55.1 ms (Link to these results)

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