X6RED3_HUMAN Loading...

Four and a half LIM domains protein 5

May be involved in the regulation of spermatogenesis. Stimulates CREM transcriptional activity in a phosphorylation-independent manner.

AlphaFold DB , UniProt , Accession X6RED3, Species HUMAN (Homo sapiens, Human), Gene FHL5, Length 210 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
1M36.6Very low73.1Confident241 Ų241109.4 Ų109.4100%1.18757%0.573SS**  098.60-68.2176.2132.600107.1T3M1-T3 PolarHBondContact O-N 2.99Å
2T42.9Very low74.6Confident143 Ų143109.2 Ų109.288%0.87758%0.58SS**  trans-74.2108.7-179.542.50000108.3A4T2-A4 PolarHBondContact O-N 3.25Å
3T49.6Very low75.9Confident111 Ų111103.9 Ų103.968%0.68156%0.561SS**  trans-57.3107.2169.637.90000108M1 H5M1-T3 PolarHBondContact O-N 2.99Å; T3-H5 PolarHBondContact O-CD2 2.98Å; T3-H5 PolarHBondContact O-N 3.16Å
4A58.9Low77.2Confident92 Ų9299.6 Ų99.676%0.7654%0.543SS*.  trans-56.4115.517200000107.5T2 F6T2-A4 PolarHBondContact O-N 3.25Å; A4-F6 PolarHBondContact O-N 3.38Å
5H68.9Low78.1Confident145 Ų14593.1 Ų93.167%0.67151%0.507SS*.  trans-69.799.7-177.2-84.8-81.7000108.2T3 Y7T3-H5 PolarHBondContact O-CD2 2.98Å; T3-H5 PolarHBondContact O-N 3.16Å; H5-Y7 HydrophobicContact CB-CD2 3.6Å; H5-Y7 HydrophobicContact CB-CE2 3.31Å; H5-Y7 AromaticContact CG-CE2 3.59Å; H5-Y7 AromaticContact ND1-CE2 3.14Å; H5-Y7 WeakPolarHBondContact ND1-CE2 3.36Å; H5-Y7 AromaticContact ND1-CZ 3.57Å; H5-Y7 PolarHBondContact ND1-OH 3.44Å; H5-Y7 VanDerWaalsContact ND1-OH 3.16Å; H5-Y7 PolarHBondContact O-N 3.46Å
6F86.1Confident78.9Confident64 Ų6495.2 Ų95.228%0.28152%0.517SS..  trans-94.284.2-176.5-157.5-108.1000111A4 L15 Y20 P27A4-F6 PolarHBondContact O-N 3.38Å; F6-L15 HydrophobicContact CD1-CB 3.57Å; F6-L15 HydrophobicContact CD1-CD1 4.32Å; F6-L15 HydrophobicContact CE1-CB 3.8Å; F6-L15 HydrophobicContact CE1-CD1 4.1Å; F6-L15 PolarHBondContact O-N 3.03Å; F6-Y20 AromaticContact CE1-CD1 3.76Å; F6-Y20 HydrophobicContact CE1-CD1 3.76Å; F6-Y20 HydrophobicContact CE1-CD2 4.18Å; F6-Y20 AromaticContact CE1-CE1 3.6Å; F6-Y20 HydrophobicContact CE1-CE1 3.6Å; F6-Y20 HydrophobicContact CE1-CE2 4.04Å; F6-Y20 HydrophobicContact CE1-CG 4.05Å; F6-Y20 AromaticContact CE1-CZ 3.75Å; F6-Y20 HydrophobicContact CZ-CD1 4.25Å; F6-Y20 AromaticContact CZ-CD2 3.93Å; F6-Y20 HydrophobicContact CZ-CD2 3.93Å; F6-Y20 AromaticContact CZ-CE1 3.86Å; F6-Y20 HydrophobicContact CZ-CE1 3.86Å; F6-Y20 AromaticContact CZ-CE2 3.52Å; F6-Y20 HydrophobicContact CZ-CE2 3.52Å; F6-Y20 HydrophobicContact CZ-CG 4.28Å; F6-Y20 AromaticContact CZ-CZ 3.47Å; F6-Y20 VanDerWaalsContact CZ-CZ 3.47Å; F6-P27 HydrophobicContact CE2-CB 4.24Å; F6-P27 HydrophobicContact CE2-CG 4.39Å; F6-P27 HydrophobicContact CZ-CB 4.07Å
7Y92.3Very high79.4Confident97 Ų9795.1 Ų95.138%0.3854%0.544SS..BIsolated β-bridgetrans-120.1153.1-176-61.2-97.4000111H5 Q9 T12 A13H5-Y7 HydrophobicContact CB-CD2 3.6Å; H5-Y7 HydrophobicContact CB-CE2 3.31Å; H5-Y7 AromaticContact CG-CE2 3.59Å; H5-Y7 AromaticContact ND1-CE2 3.14Å; H5-Y7 WeakPolarHBondContact ND1-CE2 3.36Å; H5-Y7 AromaticContact ND1-CZ 3.57Å; H5-Y7 PolarHBondContact ND1-OH 3.44Å; H5-Y7 VanDerWaalsContact ND1-OH 3.16Å; H5-Y7 PolarHBondContact O-N 3.46Å; Y7-Q9 PolarHBondContact O-N 3.17Å; Y7-T12 WeakPolarHBondContact CD1-O 3.43Å; Y7-A13 CarbonylContact C-O 3.57Å; Y7-A13 WeakPolarHBondContact CA-O 3.35Å
8C91.8Very high80Confident1 Ų197.1 Ų97.11%0.00755%0.545CS..  trans-62128172.8178.70000110.4Y10 C11 T12 A13 L15 P27 C29C8-Y10 PolarHBondContact O-N 2.81Å; C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-T12 WeakPolarHBondContact O-CA 3.14Å; C8-T12 PolarHBondContact O-N 2.87Å; C8-A13 PolarHBondContact N-O 2.94Å; C8-L15 HydrophobicContact CB-CD1 4.38Å; C8-L15 HydrophobicContact CB-CD2 4.07Å; C8-L15 HydrophobicContact CB-CG 4.27Å; C8-P27 CarbonylContact C-O 3.58Å; C8-P27 WeakPolarHBondContact CA-O 3.14Å; C8-C29 HydrophobicContact CB-CB 4.35Å; C8-C29 PolarHBondContact SG-N 2.99Å
9Q92.3Very high80.5Confident121 Ų121100.4 Ų100.457%0.56555%0.553SS**THydrogen-bonded Turntrans-59.4-28.6179.1-17662.412.900113.1Y7 P27 Y28Y7-Q9 PolarHBondContact O-N 3.17Å; Q9-P27 PolarHBondContact N-O 2.85Å; Q9-Y28 HydrophobicContact CB-CD1 4.3Å; Q9-Y28 HydrophobicContact CB-CE1 3.91Å; Q9-Y28 HydrophobicContact CB-CE2 4.44Å; Q9-Y28 HydrophobicContact CG-CE1 4.27Å
10Y91.5Very high81Confident134 Ų134100.7 Ų100.753%0.52555%0.546SS..THydrogen-bonded Turntrans-92.6-50.9-176-170.8-95000113.6C8 C32 V36C8-Y10 PolarHBondContact O-N 2.81Å; Y10-C32 HydrophobicContact CD1-CB 4.14Å; Y10-C32 HydrophobicContact CG-CB 4.29Å; Y10-V36 HydrophobicContact CD2-CG2 4.28Å; Y10-V36 HydrophobicContact CE2-CG2 4.2Å
11C93Very high81.4Confident54 Ų5497.6 Ų97.637%0.36553%0.53SS..THydrogen-bonded Turntrans-103.7-0.7-175.369.90000113.9C8 A13 C32C8-C11 VanDerWaalsContact CB-SG 3.55Å; C11-A13 PolarHBondContact O-N 3.39Å; C11-A13 VanDerWaalsContact SG-CB 3.55Å; C11-C32 VanDerWaalsContact SG-SG 3.64Å
12T91.7Very high84Confident107 Ų10790.8 Ų90.866%0.65650%0.498SS*.  trans56.615.2-178.468.10000114.8Y7 C8Y7-T12 WeakPolarHBondContact CD1-O 3.43Å; C8-T12 WeakPolarHBondContact O-CA 3.14Å; C8-T12 PolarHBondContact O-N 2.87Å
13A91.7Very high86.2Confident41 Ų4187 Ų8734%0.33947%0.469SS..  trans-74.2142.8176.400000110.6Y7 C8 C11 L15Y7-A13 CarbonylContact C-O 3.57Å; Y7-A13 WeakPolarHBondContact CA-O 3.35Å; C8-A13 PolarHBondContact N-O 2.94Å; C11-A13 PolarHBondContact O-N 3.39Å; C11-A13 VanDerWaalsContact SG-CB 3.55Å; A13-L15 PolarHBondContact O-N 3.39Å
14S93Very high88.1Confident43 Ų4388.4 Ų88.430%0.30147%0.473SS..BIsolated β-bridgetrans-60.7130.8174.4177.20000110.8L16S14-L16 PolarHBondContact OG-N 2.95Å
15L91.7Very high89.5Confident3 Ų391.4 Ų91.42%0.01648%0.476CS..  trans-97.50.6178.8-65.2176.8000113F6 C8 A13 G17 K18 Y20 P27 C29F6-L15 HydrophobicContact CD1-CB 3.57Å; F6-L15 HydrophobicContact CD1-CD1 4.32Å; F6-L15 HydrophobicContact CE1-CB 3.8Å; F6-L15 HydrophobicContact CE1-CD1 4.1Å; F6-L15 PolarHBondContact O-N 3.03Å; C8-L15 HydrophobicContact CB-CD1 4.38Å; C8-L15 HydrophobicContact CB-CD2 4.07Å; C8-L15 HydrophobicContact CB-CG 4.27Å; A13-L15 PolarHBondContact O-N 3.39Å; L15-G17 PolarHBondContact O-N 3.35Å; L15-K18 PolarHBondContact O-N 2.88Å; L15-Y20 HydrophobicContact CD1-CG 4.43Å; L15-P27 HydrophobicContact CD1-CB 3.7Å; L15-P27 HydrophobicContact CD1-CG 4.37Å; L15-C29 HydrophobicContact CD2-CB 3.57Å
16L91.1Very high90.5Very high126 Ų12686.2 Ų86.266%0.6646%0.456SS*.THydrogen-bonded Turntrans-57123.6177.5-71.3166.2000110.7S14 K18S14-L16 PolarHBondContact OG-N 2.95Å; L16-K18 PolarHBondContact O-N 3.01Å
17G87.4Confident90.8Very high94 Ų9484.3 Ų84.397%0.96945%0.45SS*.THydrogen-bonded Turntrans69.210.4-179.600000115.1L15L15-G17 PolarHBondContact O-N 3.35Å
18K89.6Confident90.8Very high130 Ų13081.4 Ų81.457%0.56544%0.439SS*.SBendtrans-113.5153.7178.9-63.2-177.7-175.81710111L15 L16L15-K18 PolarHBondContact O-N 2.88Å; L16-K18 PolarHBondContact O-N 3.01Å
19K90.3Very high90.9Very high161 Ų16182.4 Ų82.470%0.745%0.446SS*.  trans-65140.2168.7-66.4-174.7-179.9-178.70109.8V30K19-V30 HydrophobicContact CB-CG2 3.79Å
20Y90.6Very high90.8Very high106 Ų10678.1 Ų78.142%0.41643%0.428SS..EExtended strand (participates in β ladder)trans-147.3162.7178.267.6-88.1000110.1F6 L15 L22 P27 Y28F6-Y20 AromaticContact CE1-CD1 3.76Å; F6-Y20 HydrophobicContact CE1-CD1 3.76Å; F6-Y20 HydrophobicContact CE1-CD2 4.18Å; F6-Y20 AromaticContact CE1-CE1 3.6Å; F6-Y20 HydrophobicContact CE1-CE1 3.6Å; F6-Y20 HydrophobicContact CE1-CE2 4.04Å; F6-Y20 HydrophobicContact CE1-CG 4.05Å; F6-Y20 AromaticContact CE1-CZ 3.75Å; F6-Y20 HydrophobicContact CZ-CD1 4.25Å; F6-Y20 AromaticContact CZ-CD2 3.93Å; F6-Y20 HydrophobicContact CZ-CD2 3.93Å; F6-Y20 AromaticContact CZ-CE1 3.86Å; F6-Y20 HydrophobicContact CZ-CE1 3.86Å; F6-Y20 AromaticContact CZ-CE2 3.52Å; F6-Y20 HydrophobicContact CZ-CE2 3.52Å; F6-Y20 HydrophobicContact CZ-CG 4.28Å; F6-Y20 AromaticContact CZ-CZ 3.47Å; F6-Y20 VanDerWaalsContact CZ-CZ 3.47Å; L15-Y20 HydrophobicContact CD1-CG 4.43Å; Y20-L22 HydrophobicContact CD2-CD2 4.49Å; Y20-L22 HydrophobicContact CD2-CG 4.21Å; Y20-L22 HydrophobicContact CE2-CD1 4.13Å; Y20-L22 HydrophobicContact CE2-CD2 4.21Å; Y20-L22 HydrophobicContact CE2-CG 3.83Å; Y20-P27 HydrophobicContact CD2-CB 4.45Å; Y20-Y28 CarbonylContact C-O 3.58Å; Y20-Y28 VanDerWaalsContact CA-O 3.26Å; Y20-Y28 WeakPolarHBondContact CA-O 3.37Å; Y20-Y28 VanDerWaalsContact CB-O 3.28Å; Y20-Y28 WeakPolarHBondContact CB-O 3.2Å
21V89.3Confident90.7Very high36 Ų3676.5 Ų76.522%0.21843%0.432CS..EExtended strand (participates in β ladder)trans-123.2134.7176-174.30000108.2Y28 V30 Y33V21-Y28 PolarHBondContact N-O 3.34Å; V21-Y28 PolarHBondContact O-N 3.21Å; V21-V30 HydrophobicContact CG2-CG2 4.47Å; V21-Y33 HydrophobicContact CB-CD1 4.34Å; V21-Y33 HydrophobicContact CB-CD2 3.73Å; V21-Y33 HydrophobicContact CB-CE2 4.19Å; V21-Y33 HydrophobicContact CB-CG 3.81Å; V21-Y33 HydrophobicContact CG1-CD1 4.26Å; V21-Y33 HydrophobicContact CG1-CD2 3.59Å; V21-Y33 HydrophobicContact CG1-CE1 4.2Å; V21-Y33 HydrophobicContact CG1-CE2 3.52Å; V21-Y33 HydrophobicContact CG1-CG 3.98Å; V21-Y33 HydrophobicContact CG2-CD1 4.24Å; V21-Y33 HydrophobicContact CG2-CD2 4.48Å; V21-Y33 HydrophobicContact CG2-CG 4.08Å
22L90.4Very high90.6Very high97 Ų9774.5 Ų74.551%0.50842%0.419SS..EExtended strand (participates in β ladder)trans-93.8129.3172.9-70.8166.7000109.2Y20 P27Y20-L22 HydrophobicContact CD2-CD2 4.49Å; Y20-L22 HydrophobicContact CD2-CG 4.21Å; Y20-L22 HydrophobicContact CE2-CD1 4.13Å; Y20-L22 HydrophobicContact CE2-CD2 4.21Å; Y20-L22 HydrophobicContact CE2-CG 3.83Å; L22-P27 HydrophobicContact CD2-CB 3.83Å
23K88.6Confident90.6Very high63 Ų6371.8 Ų71.827%0.27440%0.397SS..EExtended strand (participates in β ladder)trans-133.1122171.1-176.1160.3179.31760109D25 S26 Y28 Y33 F37K23-D25 VanDerWaalsContact C-N 3.28Å; K23-D25 PolarHBondContact O-N 2.99Å; K23-S26 PolarHBondContact N-O 3.12Å; K23-S26 WeakPolarHBondContact O-CB 3.16Å; K23-S26 PolarHBondContact O-N 3.46Å; K23-Y28 HydrophobicContact CB-CD2 4.3Å; K23-Y28 HydrophobicContact CB-CE2 4.12Å; K23-Y33 HydrophobicContact CB-CE2 4.03Å; K23-Y33 HydrophobicContact CD-CE2 3.84Å; K23-F37 HydrophobicContact CD-CD1 4.07Å; K23-F37 HydrophobicContact CD-CD2 3.9Å; K23-F37 HydrophobicContact CD-CE1 4Å; K23-F37 HydrophobicContact CD-CE2 3.87Å; K23-F37 HydrophobicContact CD-CG 3.99Å; K23-F37 HydrophobicContact CD-CZ 3.9Å
24D90.6Very high90.5Very high141 Ų14170.9 Ų70.975%0.75439%0.386SS*.THydrogen-bonded Turntrans5050.1-175.5-49.8-45.6000111.4S26D24-S26 PolarHBondContact O-N 2.83Å; D24-S26 PolarHBondContact O-OG 3.28Å
25D88Confident90.2Very high156 Ų15677 Ų7783%0.83440%0.403SS*.THydrogen-bonded Turntrans59.34-175.5-60.5-43.3000116.4K23K23-D25 VanDerWaalsContact C-N 3.28Å; K23-D25 PolarHBondContact O-N 2.99Å
26S90.5Very high90Very high36 Ų3680.2 Ų80.225%0.25242%0.422SS..EExtended strand (participates in β ladder)trans-96.3127178.2-60.90000111.2K23 D24 Y28K23-S26 PolarHBondContact N-O 3.12Å; K23-S26 WeakPolarHBondContact O-CB 3.16Å; K23-S26 PolarHBondContact O-N 3.46Å; D24-S26 PolarHBondContact O-N 2.83Å; D24-S26 PolarHBondContact O-OG 3.28Å; S26-Y28 WeakPolarHBondContact O-CD2 3.28Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å
27P92.4Very high89.9Confident24 Ų2477.1 Ų77.116%0.15640%0.404CS..EExtended strand (participates in β ladder)trans-83.6130.3-178.931.8-34.2000112.5F6 C8 Q9 L15 Y20 L22F6-P27 HydrophobicContact CE2-CB 4.24Å; F6-P27 HydrophobicContact CE2-CG 4.39Å; F6-P27 HydrophobicContact CZ-CB 4.07Å; C8-P27 CarbonylContact C-O 3.58Å; C8-P27 WeakPolarHBondContact CA-O 3.14Å; Q9-P27 PolarHBondContact N-O 2.85Å; L15-P27 HydrophobicContact CD1-CB 3.7Å; L15-P27 HydrophobicContact CD1-CG 4.37Å; Y20-P27 HydrophobicContact CD2-CB 4.45Å; L22-P27 HydrophobicContact CD2-CB 3.83Å
28Y92.4Very high90Very high35 Ų3573.4 Ų73.414%0.13736%0.362CS..EExtended strand (participates in β ladder)trans-120.9140.5175.1-64-95.7000110Q9 Y20 V21 K23 S26 F37Q9-Y28 HydrophobicContact CB-CD1 4.3Å; Q9-Y28 HydrophobicContact CB-CE1 3.91Å; Q9-Y28 HydrophobicContact CB-CE2 4.44Å; Q9-Y28 HydrophobicContact CG-CE1 4.27Å; Y20-Y28 CarbonylContact C-O 3.58Å; Y20-Y28 VanDerWaalsContact CA-O 3.26Å; Y20-Y28 WeakPolarHBondContact CA-O 3.37Å; Y20-Y28 VanDerWaalsContact CB-O 3.28Å; Y20-Y28 WeakPolarHBondContact CB-O 3.2Å; V21-Y28 PolarHBondContact N-O 3.34Å; V21-Y28 PolarHBondContact O-N 3.21Å; K23-Y28 HydrophobicContact CB-CD2 4.3Å; K23-Y28 HydrophobicContact CB-CE2 4.12Å; S26-Y28 WeakPolarHBondContact O-CD2 3.28Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å; Y28-F37 HydrophobicContact CD1-CE2 4.34Å; Y28-F37 HydrophobicContact CD2-CE2 4.45Å; Y28-F37 HydrophobicContact CE1-CE2 4.08Å; Y28-F37 HydrophobicContact CE2-CE2 4.21Å
29C92.5Very high90.2Very high22 Ų2270.2 Ų70.215%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-65.4150163.972.20000109.1C8 L15 T31 C32 Y33C8-C29 HydrophobicContact CB-CB 4.35Å; C8-C29 PolarHBondContact SG-N 2.99Å; L15-C29 HydrophobicContact CD2-CB 3.57Å; C29-T31 PolarHBondContact O-N 2.88Å; C29-T31 VanDerWaalsContact O-N 3.17Å; C29-C32 PolarHBondContact O-N 3.48Å; C29-C32 PolarHBondContact SG-N 3.2Å; C29-C32 VanDerWaalsContact SG-N 3.42Å; C29-C32 PolarHBondContact SG-SG 3.27Å; C29-Y33 PolarHBondContact O-N 2.89Å
30V90.4Very high90.3Very high31 Ų3169.1 Ų69.119%0.18834%0.344CS..Hα-helixtrans-49.4-46.6-178.1177.80000111.3K19 V21 C32 Y33 D34K19-V30 HydrophobicContact CB-CG2 3.79Å; V21-V30 HydrophobicContact CG2-CG2 4.47Å; V30-C32 PolarHBondContact O-N 3.31Å; V30-Y33 WeakPolarHBondContact O-CB 3.44Å; V30-Y33 PolarHBondContact O-N 3.04Å; V30-D34 WeakPolarHBondContact CG1-OD2 3.1Å; V30-D34 WeakPolarHBondContact O-CB 3.3Å; V30-D34 PolarHBondContact O-N 3.26Å
31T90.2Very high90.6Very high101 Ų10164.1 Ų64.162%0.6232%0.324SS*.Hα-helixtrans-60.5-38.8178.6-43.90000114.2C29 R35C29-T31 PolarHBondContact O-N 2.88Å; C29-T31 VanDerWaalsContact O-N 3.17Å; T31-R35 VanDerWaalsContact O-CB 3.3Å; T31-R35 WeakPolarHBondContact O-CB 3.36Å; T31-R35 PolarHBondContact O-N 2.73Å; T31-R35 VanDerWaalsContact O-N 3.15Å
32C91.1Very high90.8Very high12 Ų1265.7 Ų65.78%0.08133%0.33CS..Hα-helixtrans-76.7-37.5177.8-70.10000111.2Y10 C11 C29 V30 R35 V36Y10-C32 HydrophobicContact CD1-CB 4.14Å; Y10-C32 HydrophobicContact CG-CB 4.29Å; C11-C32 VanDerWaalsContact SG-SG 3.64Å; C29-C32 PolarHBondContact O-N 3.48Å; C29-C32 PolarHBondContact SG-N 3.2Å; C29-C32 VanDerWaalsContact SG-N 3.42Å; C29-C32 PolarHBondContact SG-SG 3.27Å; V30-C32 PolarHBondContact O-N 3.31Å; C32-R35 PolarHBondContact O-N 3.42Å; C32-V36 VanDerWaalsContact O-CG2 3.28Å; C32-V36 WeakPolarHBondContact O-CG2 3.04Å; C32-V36 PolarHBondContact O-N 3.06Å
33Y91.3Very high91Very high50 Ų5065.4 Ų65.420%0.19633%0.326CS..Hα-helixtrans-59.5-52.8174.3-176.6-89.5000110.3V21 K23 C29 V30 R35 V36 F37V21-Y33 HydrophobicContact CB-CD1 4.34Å; V21-Y33 HydrophobicContact CB-CD2 3.73Å; V21-Y33 HydrophobicContact CB-CE2 4.19Å; V21-Y33 HydrophobicContact CB-CG 3.81Å; V21-Y33 HydrophobicContact CG1-CD1 4.26Å; V21-Y33 HydrophobicContact CG1-CD2 3.59Å; V21-Y33 HydrophobicContact CG1-CE1 4.2Å; V21-Y33 HydrophobicContact CG1-CE2 3.52Å; V21-Y33 HydrophobicContact CG1-CG 3.98Å; V21-Y33 HydrophobicContact CG2-CD1 4.24Å; V21-Y33 HydrophobicContact CG2-CD2 4.48Å; V21-Y33 HydrophobicContact CG2-CG 4.08Å; K23-Y33 HydrophobicContact CB-CE2 4.03Å; K23-Y33 HydrophobicContact CD-CE2 3.84Å; C29-Y33 PolarHBondContact O-N 2.89Å; V30-Y33 WeakPolarHBondContact O-CB 3.44Å; V30-Y33 PolarHBondContact O-N 3.04Å; Y33-R35 VanDerWaalsContact C-N 3.3Å; Y33-R35 PolarHBondContact O-N 3.22Å; Y33-V36 PolarHBondContact O-N 3.15Å; Y33-V36 VanDerWaalsContact O-N 3.12Å; Y33-F37 AromaticContact CD2-CD2 3.56Å; Y33-F37 HydrophobicContact CD2-CD2 3.56Å; Y33-F37 HydrophobicContact CD2-CE2 4.21Å; Y33-F37 HydrophobicContact CD2-CG 4.47Å; Y33-F37 HydrophobicContact CE1-CB 4.2Å; Y33-F37 HydrophobicContact CE2-CB 4.22Å; Y33-F37 AromaticContact CE2-CD2 3.71Å; Y33-F37 HydrophobicContact CE2-CD2 3.71Å; Y33-F37 HydrophobicContact CE2-CE2 4.47Å; Y33-F37 HydrophobicContact CE2-CG 4.28Å; Y33-F37 HydrophobicContact CG-CD2 4.1Å; Y33-F37 WeakPolarHBondContact O-CB 3.28Å; Y33-F37 WeakPolarHBondContact O-CD2 3.26Å; Y33-F37 PolarHBondContact O-N 3.31Å
34D89Confident91.3Very high21 Ų2164.7 Ų64.711%0.11233%0.328CS..Hα-helixtrans-60.5-41.6-178.7-65.1-17.9000111.4V30 V36 S38 S50V30-D34 WeakPolarHBondContact CG1-OD2 3.1Å; V30-D34 WeakPolarHBondContact O-CB 3.3Å; V30-D34 PolarHBondContact O-N 3.26Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 PolarHBondContact O-N 2.82Å; D34-S38 WeakPolarHBondContact CA-OG 3.49Å; D34-S38 WeakPolarHBondContact CB-OG 3.1Å; D34-S38 WeakPolarHBondContact O-CB 3.22Å; D34-S38 PolarHBondContact O-N 2.95Å; D34-S38 PolarHBondContact O-OG 3.17Å; D34-S38 VanDerWaalsContact O-OG 3.05Å; D34-S50 WeakPolarHBondContact OD1-CB 3.44Å; D34-S50 PolarHBondContact OD1-N 3.05Å; D34-S50 PolarHBondContact OD1-OG 2.7Å
35R86.7Confident91.4Very high172 Ų17263.7 Ų63.765%0.64932%0.317SS*.Hα-helixtrans-59.7-37.1177.8176.7179.9-75.6-163.9-3.4113.2T31 C32 Y33T31-R35 VanDerWaalsContact O-CB 3.3Å; T31-R35 WeakPolarHBondContact O-CB 3.36Å; T31-R35 PolarHBondContact O-N 2.73Å; T31-R35 VanDerWaalsContact O-N 3.15Å; C32-R35 PolarHBondContact O-N 3.42Å; Y33-R35 VanDerWaalsContact C-N 3.3Å; Y33-R35 PolarHBondContact O-N 3.22Å
36V87.2Confident91.7Very high70 Ų7062.8 Ų62.842%0.42431%0.306SS..Hα-helixtrans-97.8-28.2-170.6-176.10000111.6Y10 C32 Y33 D34Y10-V36 HydrophobicContact CD2-CG2 4.28Å; Y10-V36 HydrophobicContact CE2-CG2 4.2Å; C32-V36 VanDerWaalsContact O-CG2 3.28Å; C32-V36 WeakPolarHBondContact O-CG2 3.04Å; C32-V36 PolarHBondContact O-N 3.06Å; Y33-V36 PolarHBondContact O-N 3.15Å; Y33-V36 VanDerWaalsContact O-N 3.12Å; D34-V36 VanDerWaalsContact C-N 3.27Å; D34-V36 PolarHBondContact O-N 2.82Å
37F88.9Confident91.8Very high62 Ų6263.9 Ų63.927%0.27231%0.311SS..Hα-helixtrans-129.7-4.6-166.6-53.1-60.8000115K23 Y28 Y33K23-F37 HydrophobicContact CD-CD1 4.07Å; K23-F37 HydrophobicContact CD-CD2 3.9Å; K23-F37 HydrophobicContact CD-CE1 4Å; K23-F37 HydrophobicContact CD-CE2 3.87Å; K23-F37 HydrophobicContact CD-CG 3.99Å; K23-F37 HydrophobicContact CD-CZ 3.9Å; Y28-F37 HydrophobicContact CD1-CE2 4.34Å; Y28-F37 HydrophobicContact CD2-CE2 4.45Å; Y28-F37 HydrophobicContact CE1-CE2 4.08Å; Y28-F37 HydrophobicContact CE2-CE2 4.21Å; Y33-F37 AromaticContact CD2-CD2 3.56Å; Y33-F37 HydrophobicContact CD2-CD2 3.56Å; Y33-F37 HydrophobicContact CD2-CE2 4.21Å; Y33-F37 HydrophobicContact CD2-CG 4.47Å; Y33-F37 HydrophobicContact CE1-CB 4.2Å; Y33-F37 HydrophobicContact CE2-CB 4.22Å; Y33-F37 AromaticContact CE2-CD2 3.71Å; Y33-F37 HydrophobicContact CE2-CD2 3.71Å; Y33-F37 HydrophobicContact CE2-CE2 4.47Å; Y33-F37 HydrophobicContact CE2-CG 4.28Å; Y33-F37 HydrophobicContact CG-CD2 4.1Å; Y33-F37 WeakPolarHBondContact O-CB 3.28Å; Y33-F37 WeakPolarHBondContact O-CD2 3.26Å; Y33-F37 PolarHBondContact O-N 3.31Å
38S90.3Very high91.8Very high15 Ų1563 Ų6311%0.10531%0.305CS..  trans-66.6141.7177.3-76.30000112.3D34 I48D34-S38 WeakPolarHBondContact CA-OG 3.49Å; D34-S38 WeakPolarHBondContact CB-OG 3.1Å; D34-S38 WeakPolarHBondContact O-CB 3.22Å; D34-S38 PolarHBondContact O-N 2.95Å; D34-S38 PolarHBondContact O-OG 3.17Å; D34-S38 VanDerWaalsContact O-OG 3.05Å; S38-I48 WeakPolarHBondContact CB-O 3.43Å; S38-I48 PolarHBondContact OG-O 2.79Å
39N93.6Very high91.6Very high64 Ų6466.7 Ų66.734%0.34232%0.324SS..  trans-66.9155.2160.7-68.4-44.2000110.3P47 I48 D54 H61N39-P47 CarbonylContact O-C 3.56Å; N39-P47 WeakPolarHBondContact O-CA 3.39Å; N39-I48 HydrophobicContact CB-CD1 4.45Å; N39-I48 PolarHBondContact O-N 3.31Å; N39-D54 PolarHBondContact ND2-OD2 3.28Å; N39-H61 HydrophobicContact CB-CB 3.83Å; N39-H61 PolarHBondContact ND2-CD2 2.62Å; N39-H61 VanDerWaalsContact ND2-CD2 3.28Å; N39-H61 PolarHBondContact ND2-NE2 2.94Å
40Y93.3Very high91.1Very high138 Ų13868.2 Ų68.254%0.54134%0.335SS..BIsolated β-bridgetrans-106.8132.4179.2-73.5-102.9000110.2E42 P47Y40-E42 PolarHBondContact O-N 2.88Å; Y40-P47 HydrophobicContact CE1-CB 4.41Å
41C95Very high90.8Very high0 Ų071.8 Ų71.80%035%0.353CS..BIsolated β-bridgetrans-66.5127.7178.4175.80000110.8E43 C44 K45 K46 I48 H61 H63 C66C41-E43 VanDerWaalsContact C-N 3.26Å; C41-E43 PolarHBondContact O-N 3.44Å; C41-C44 VanDerWaalsContact CB-SG 3.59Å; C41-C44 VanDerWaalsContact SG-SG 3.64Å; C41-K45 WeakPolarHBondContact O-CA 3.37Å; C41-K45 PolarHBondContact O-N 2.88Å; C41-K46 WeakPolarHBondContact CB-O 3.18Å; C41-K46 PolarHBondContact N-O 3.36Å; C41-I48 HydrophobicContact CB-CD1 4.29Å; C41-I48 HydrophobicContact CB-CG1 4.03Å; C41-H61 CarbonylContact C-O 3.53Å; C41-H61 WeakPolarHBondContact CA-O 3.49Å; C41-H63 WeakPolarHBondContact CB-CE1 3.43Å; C41-H63 VanDerWaalsContact CB-ND1 3.26Å; C41-H63 WeakPolarHBondContact CB-ND1 3.37Å; C41-H63 PolarHBondContact SG-ND1 2.92Å; C41-C66 WeakPolarHBondContact SG-CB 3.43Å; C41-C66 VanDerWaalsContact SG-SG 3.62Å
42E94.5Very high90.5Very high70 Ų7069 Ų6933%0.32734%0.338SS..THydrogen-bonded Turntrans-68.3-27.2-175.7-173.355.3-147.300112.3Y40 K45 H61 W62Y40-E42 PolarHBondContact O-N 2.88Å; E42-K45 WeakPolarHBondContact O-CE 3.28Å; E42-K45 PolarHBondContact O-NZ 2.79Å; E42-K45 IonicContact OE1-NZ 2.77Å; E42-K45 PolarHBondContact OE1-NZ 3.08Å; E42-K45 IonicContact OE2-NZ 3.13Å; E42-K45 PolarHBondContact OE2-NZ 3.05Å; E42-K45 VanDerWaalsContact OE2-NZ 3.13Å; E42-H61 PolarHBondContact N-O 3.35Å; E42-W62 HydrophobicContact CB-CD2 4.24Å; E42-W62 HydrophobicContact CB-CZ2 3.88Å; E42-W62 HydrophobicContact CG-CZ2 3.95Å
43E94Very high90.4Very high91 Ų9173 Ų7343%0.42535%0.353SS..THydrogen-bonded Turntrans-82.5-52.7179.2-177.373.116600112.4C41 C66 K68C41-E43 VanDerWaalsContact C-N 3.26Å; C41-E43 PolarHBondContact O-N 3.44Å; E43-C66 HydrophobicContact CB-CB 3.8Å; E43-C66 HydrophobicContact CG-CB 4.22Å; E43-K68 VanDerWaalsContact OE1-CE 3.3Å; E43-K68 WeakPolarHBondContact OE1-CE 3.48Å; E43-K68 IonicContact OE1-NZ 3.69Å
44C94.8Very high90.5Very high47 Ų4773.4 Ų73.432%0.31836%0.359SS..THydrogen-bonded Turntrans-100.3-6.8-171.477.10000114.2C41 K46 H63C41-C44 VanDerWaalsContact CB-SG 3.59Å; C41-C44 VanDerWaalsContact SG-SG 3.64Å; C44-K46 PolarHBondContact O-N 3.08Å; C44-K46 VanDerWaalsContact O-N 3.17Å; C44-H63 PolarHBondContact SG-CE1 3.4Å; C44-H63 PolarHBondContact SG-ND1 3.14Å
45K94.3Very high90.8Very high121 Ų12173.8 Ų73.853%0.52636%0.361SS..  trans58.721.2-179.3-51.3-54.2-171.5-166.90114.8C41 E42C41-K45 WeakPolarHBondContact O-CA 3.37Å; C41-K45 PolarHBondContact O-N 2.88Å; E42-K45 WeakPolarHBondContact O-CE 3.28Å; E42-K45 PolarHBondContact O-NZ 2.79Å; E42-K45 IonicContact OE1-NZ 2.77Å; E42-K45 PolarHBondContact OE1-NZ 3.08Å; E42-K45 IonicContact OE2-NZ 3.13Å; E42-K45 PolarHBondContact OE2-NZ 3.05Å; E42-K45 VanDerWaalsContact OE2-NZ 3.13Å
46K93.1Very high91.1Very high137 Ų13769.2 Ų69.260%0.59636%0.355SS*.PPolyproline II helixtrans-99.2153174.5-62.4179-177.1-179.70110.9C41 C44C41-K46 WeakPolarHBondContact CB-O 3.18Å; C41-K46 PolarHBondContact N-O 3.36Å; C44-K46 PolarHBondContact O-N 3.08Å; C44-K46 VanDerWaalsContact O-N 3.17Å
47P91.9Very high91.4Very high58 Ų5869.5 Ų69.538%0.37735%0.349SS..BIsolated β-bridgetrans-59.8144.3173.625.7-34.1000111N39 Y40 H63N39-P47 CarbonylContact O-C 3.56Å; N39-P47 WeakPolarHBondContact O-CA 3.39Å; Y40-P47 HydrophobicContact CE1-CB 4.41Å; P47-H63 PolarHBondContact O-NE2 3.38Å; P47-H63 VanDerWaalsContact O-NE2 3.08Å
48I93.5Very high91.4Very high5 Ų573.4 Ų73.43%0.02637%0.365CS..PPolyproline II helixtrans-89116.4171-58.9172.4000106.7S38 N39 C41 S52 D54 H61S38-I48 WeakPolarHBondContact CB-O 3.43Å; S38-I48 PolarHBondContact OG-O 2.79Å; N39-I48 HydrophobicContact CB-CD1 4.45Å; N39-I48 PolarHBondContact O-N 3.31Å; C41-I48 HydrophobicContact CB-CD1 4.29Å; C41-I48 HydrophobicContact CB-CG1 4.03Å; I48-S52 VanDerWaalsContact CG2-OG 3.28Å; I48-S52 WeakPolarHBondContact CG2-OG 3.36Å; I48-D54 WeakPolarHBondContact CD1-OD1 3.2Å; I48-D54 HydrophobicContact CG2-CB 4Å; I48-H61 HydrophobicContact CD1-CB 3.61Å
49E89.1Confident91.4Very high114 Ų11479.7 Ų79.753%0.53340%0.398SS..PPolyproline II helixtrans-62.9138.4-176.7-60.7168.2170.800109.2D51 S52E49-D51 VanDerWaalsContact CB-OD1 3.29Å; E49-D51 WeakPolarHBondContact CB-OD1 3.29Å; E49-D51 PolarHBondContact O-N 3.26Å; E49-D51 VanDerWaalsContact O-N 3.12Å; E49-S52 PolarHBondContact N-OG 3.37Å; E49-S52 WeakPolarHBondContact O-CB 3.28Å; E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 PolarHBondContact O-OG 2.92Å
50S81.9Confident91.4Very high53 Ų5379.9 Ų79.937%0.37139%0.394SS..THydrogen-bonded Turntrans-63.3-17-176.751.40000114.4D34D34-S50 WeakPolarHBondContact OD1-CB 3.44Å; D34-S50 PolarHBondContact OD1-N 3.05Å; D34-S50 PolarHBondContact OD1-OG 2.7Å
51D82.7Confident91.5Very high106 Ų10675 Ų7557%0.56738%0.376SS*.THydrogen-bonded Turntrans-93.72.2173.465.2-13.8000113.8E49E49-D51 VanDerWaalsContact CB-OD1 3.29Å; E49-D51 WeakPolarHBondContact CB-OD1 3.29Å; E49-D51 PolarHBondContact O-N 3.26Å; E49-D51 VanDerWaalsContact O-N 3.12Å
52S85.5Confident91.5Very high43 Ų4375.6 Ų75.630%0.30138%0.378SS..SBendtrans-103.4155.1176.875.90000112.5I48 E49 D54I48-S52 VanDerWaalsContact CG2-OG 3.28Å; I48-S52 WeakPolarHBondContact CG2-OG 3.36Å; E49-S52 PolarHBondContact N-OG 3.37Å; E49-S52 WeakPolarHBondContact O-CB 3.28Å; E49-S52 PolarHBondContact O-N 3.33Å; E49-S52 PolarHBondContact O-OG 2.92Å; S52-D54 PolarHBondContact O-N 3.12Å; S52-D54 VanDerWaalsContact O-N 3.17Å
53K89.1Confident91.6Very high95 Ų9574.2 Ų74.241%0.41337%0.372SS..  trans-70.6110.6177.5-169.7176.8-177.6-179.20109.7L55 E78K53-L55 HydrophobicContact CD-CD2 4.24Å; K53-L55 HydrophobicContact CG-CD2 4.18Å; K53-E78 IonicContact NZ-OE1 2.82Å; K53-E78 PolarHBondContact NZ-OE1 2.9Å
54D92.9Very high91.6Very high60 Ų6074.6 Ų74.632%0.32137%0.373SS..EExtended strand (participates in β ladder)trans-83.8113.5173.3-171.5-1.1000110.4N39 I48 S52 H61N39-D54 PolarHBondContact ND2-OD2 3.28Å; I48-D54 WeakPolarHBondContact CD1-OD1 3.2Å; I48-D54 HydrophobicContact CG2-CB 4Å; S52-D54 PolarHBondContact O-N 3.12Å; S52-D54 VanDerWaalsContact O-N 3.17Å; D54-H61 WeakPolarHBondContact OD1-CB 3.33Å; D54-H61 IonicContact OD1-CD2 3.33Å; D54-H61 PolarHBondContact OD1-CD2 2.79Å; D54-H61 IonicContact OD1-CG 3.79Å; D54-H61 IonicContact OD2-CD2 3.26Å; D54-H61 PolarHBondContact OD2-CD2 3.32Å; D54-H61 VanDerWaalsContact OD2-CD2 3.26Å
55L94.6Very high91.6Very high28 Ų2875.6 Ų75.615%0.14739%0.392CS..EExtended strand (participates in β ladder)trans-94.2115.2176.1-63.3178.4000109.8K53 H61 W62 E64 F67 V77K53-L55 HydrophobicContact CD-CD2 4.24Å; K53-L55 HydrophobicContact CG-CD2 4.18Å; L55-H61 CarbonylContact O-C 3.5Å; L55-H61 WeakPolarHBondContact O-CA 3.4Å; L55-W62 PolarHBondContact N-O 3.38Å; L55-W62 VanDerWaalsContact N-O 3.14Å; L55-W62 PolarHBondContact O-N 3.35Å; L55-E64 HydrophobicContact CD1-CB 4.38Å; L55-E64 HydrophobicContact CD1-CG 4.38Å; L55-F67 HydrophobicContact CB-CD2 4.41Å; L55-F67 HydrophobicContact CB-CG 4.48Å; L55-F67 HydrophobicContact CD1-CB 3.52Å; L55-F67 HydrophobicContact CD1-CD1 4.06Å; L55-F67 HydrophobicContact CD1-CD2 4.49Å; L55-F67 HydrophobicContact CD1-CG 3.78Å; L55-V77 HydrophobicContact CD1-CG1 4.37Å; L55-V77 HydrophobicContact CD1-CG2 3.67Å
56C93.6Very high91.7Very high77 Ų7770.9 Ų70.952%0.5237%0.374SS..EExtended strand (participates in β ladder)trans-108.7132.8-178-172.50000112.3R60C56-R60 CarbonylContact C-O 3.57Å; C56-R60 VanDerWaalsContact CA-O 3.28Å; C56-R60 WeakPolarHBondContact CA-O 3.26Å
57Y92.1Very high91.9Very high76 Ų7665 Ų6530%0.29835%0.348SS..EExtended strand (participates in β ladder)trans-146.6124.5170177.5-99.9000110.7D59 R60 F81 A83Y57-D59 VanDerWaalsContact C-N 3.31Å; Y57-D59 PolarHBondContact O-N 3.37Å; Y57-R60 PolarHBondContact N-O 3.17Å; Y57-R60 WeakPolarHBondContact O-CB 3.16Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.08Å; Y57-F81 HydrophobicContact CD1-CE2 4.17Å; Y57-F81 HydrophobicContact CD1-CZ 4.34Å; Y57-F81 HydrophobicContact CD2-CE2 4.14Å; Y57-F81 AromaticContact CD2-CZ 3.6Å; Y57-F81 HydrophobicContact CD2-CZ 3.6Å; Y57-F81 HydrophobicContact CE1-CE2 4.07Å; Y57-F81 HydrophobicContact CE1-CZ 4.49Å; Y57-F81 HydrophobicContact CE2-CE2 4.03Å; Y57-F81 AromaticContact CE2-CZ 3.77Å; Y57-F81 HydrophobicContact CE2-CZ 3.77Å; Y57-F81 HydrophobicContact CG-CE2 4.19Å; Y57-F81 AromaticContact CG-CZ 3.89Å; Y57-F81 HydrophobicContact CG-CZ 3.89Å; Y57-F81 AromaticContact CZ-CE2 3.99Å; Y57-A83 HydrophobicContact CE1-CB 3.55Å
58K90.4Very high92.2Very high143 Ų14365 Ų6562%0.62234%0.342SS*.THydrogen-bonded Turntrans4851.1-176.8-67.1-174.2174-1770112.6R60K58-R60 PolarHBondContact O-N 2.77Å
59D90.1Very high92.3Very high148 Ų14864.8 Ų64.879%0.79134%0.341SS*.THydrogen-bonded Turntrans62.310.6179.4-50.8-49.4000115.6Y57 H61Y57-D59 VanDerWaalsContact C-N 3.31Å; Y57-D59 PolarHBondContact O-N 3.37Å; D59-H61 PolarHBondContact O-CE1 2.74Å; D59-H61 PolarHBondContact O-ND1 3.17Å
60R93.2Very high92.6Very high67 Ų6762 Ų6225%0.25333%0.332SS..EExtended strand (participates in β ladder)trans-104.4150.8172.8-63.7173.6-177-142.5-1.3109.8C56 Y57 K58 W62 E86C56-R60 CarbonylContact C-O 3.57Å; C56-R60 VanDerWaalsContact CA-O 3.28Å; C56-R60 WeakPolarHBondContact CA-O 3.26Å; Y57-R60 PolarHBondContact N-O 3.17Å; Y57-R60 WeakPolarHBondContact O-CB 3.16Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.08Å; K58-R60 PolarHBondContact O-N 2.77Å; R60-W62 HydrophobicContact CB-CE3 4.25Å; R60-W62 HydrophobicContact CB-CH2 3.22Å; R60-W62 HydrophobicContact CB-CZ2 4.03Å; R60-W62 HydrophobicContact CB-CZ3 3.35Å; R60-W62 HydrophobicContact CG-CH2 4.19Å; R60-W62 WeakPolarHBondContact O-CZ3 3.48Å; R60-E86 IonicContact CZ-OE2 3Å; R60-E86 IonicContact NE-OE2 3.44Å; R60-E86 PolarHBondContact NE-OE2 2.86Å; R60-E86 IonicContact NH1-OE2 2.93Å; R60-E86 PolarHBondContact NH1-OE2 2.82Å; R60-E86 IonicContact NH2-OE1 3.35Å; R60-E86 PolarHBondContact NH2-OE1 3Å; R60-E86 IonicContact NH2-OE2 2.88Å; R60-E86 PolarHBondContact NH2-OE2 3.32Å
61H95.1Very high93.1Very high35 Ų3565.4 Ų65.416%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-126144.4-169.6-58.884.6000110.2N39 C41 E42 I48 D54 L55 D59N39-H61 HydrophobicContact CB-CB 3.83Å; N39-H61 PolarHBondContact ND2-CD2 2.62Å; N39-H61 VanDerWaalsContact ND2-CD2 3.28Å; N39-H61 PolarHBondContact ND2-NE2 2.94Å; C41-H61 CarbonylContact C-O 3.53Å; C41-H61 WeakPolarHBondContact CA-O 3.49Å; E42-H61 PolarHBondContact N-O 3.35Å; I48-H61 HydrophobicContact CD1-CB 3.61Å; D54-H61 WeakPolarHBondContact OD1-CB 3.33Å; D54-H61 IonicContact OD1-CD2 3.33Å; D54-H61 PolarHBondContact OD1-CD2 2.79Å; D54-H61 IonicContact OD1-CG 3.79Å; D54-H61 IonicContact OD2-CD2 3.26Å; D54-H61 PolarHBondContact OD2-CD2 3.32Å; D54-H61 VanDerWaalsContact OD2-CD2 3.26Å; L55-H61 CarbonylContact O-C 3.5Å; L55-H61 WeakPolarHBondContact O-CA 3.4Å; D59-H61 PolarHBondContact O-CE1 2.74Å; D59-H61 PolarHBondContact O-ND1 3.17Å
62W96.1Very high93.7Very high13 Ų1363.4 Ų63.45%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-140.1145178-68.7-100000110.5E42 L55 R60 C66 F67 L88E42-W62 HydrophobicContact CB-CD2 4.24Å; E42-W62 HydrophobicContact CB-CZ2 3.88Å; E42-W62 HydrophobicContact CG-CZ2 3.95Å; L55-W62 PolarHBondContact N-O 3.38Å; L55-W62 VanDerWaalsContact N-O 3.14Å; L55-W62 PolarHBondContact O-N 3.35Å; R60-W62 HydrophobicContact CB-CE3 4.25Å; R60-W62 HydrophobicContact CB-CH2 3.22Å; R60-W62 HydrophobicContact CB-CZ2 4.03Å; R60-W62 HydrophobicContact CB-CZ3 3.35Å; R60-W62 HydrophobicContact CG-CH2 4.19Å; R60-W62 WeakPolarHBondContact O-CZ3 3.48Å; W62-C66 HydrophobicContact CB-CB 4.46Å; W62-F67 HydrophobicContact CB-CB 4.06Å; W62-F67 HydrophobicContact CB-CD2 3.9Å; W62-F67 HydrophobicContact CB-CG 4.49Å; W62-F67 AromaticContact CD2-CD2 3.83Å; W62-F67 HydrophobicContact CD2-CD2 3.83Å; W62-F67 HydrophobicContact CD2-CE2 4.23Å; W62-F67 AromaticContact CE3-CD2 3.93Å; W62-F67 HydrophobicContact CE3-CD2 3.93Å; W62-F67 AromaticContact CE3-CE2 3.97Å; W62-F67 HydrophobicContact CE3-CE2 3.97Å; W62-F67 AromaticContact CG-CD2 3.83Å; W62-F67 HydrophobicContact CG-CD2 3.83Å; W62-F67 HydrophobicContact CZ3-CE2 4.32Å; W62-L88 HydrophobicContact CD2-CD1 4.36Å; W62-L88 HydrophobicContact CH2-CD1 4.42Å; W62-L88 HydrophobicContact CZ2-CD1 3.9Å; W62-L88 HydrophobicContact CZ2-CG 4.33Å
63H96.1Very high94.2Very high41 Ų4166.2 Ų66.219%0.1935%0.346CS..EExtended strand (participates in β ladder)trans-60.9150158.3-58.5111.5000109.7C41 C44 P47 G65 C66 F67C41-H63 WeakPolarHBondContact CB-CE1 3.43Å; C41-H63 VanDerWaalsContact CB-ND1 3.26Å; C41-H63 WeakPolarHBondContact CB-ND1 3.37Å; C41-H63 PolarHBondContact SG-ND1 2.92Å; C44-H63 PolarHBondContact SG-CE1 3.4Å; C44-H63 PolarHBondContact SG-ND1 3.14Å; P47-H63 PolarHBondContact O-NE2 3.38Å; P47-H63 VanDerWaalsContact O-NE2 3.08Å; H63-G65 VanDerWaalsContact C-N 3.27Å; H63-G65 PolarHBondContact O-N 2.93Å; H63-C66 HydrophobicContact CB-CB 4.01Å; H63-C66 CarbonylContact O-C 3.58Å; H63-C66 WeakPolarHBondContact O-CA 3.3Å; H63-C66 WeakPolarHBondContact O-CB 3.42Å; H63-C66 PolarHBondContact O-N 3.14Å; H63-F67 PolarHBondContact O-N 3.17Å
64E94.7Very high94.5Very high99 Ų9966.9 Ų66.946%0.46335%0.35SS..G310 helixtrans-51-45.5174.8-168.1175.8162.300112.8L55 C66 F67 V77L55-E64 HydrophobicContact CD1-CB 4.38Å; L55-E64 HydrophobicContact CD1-CG 4.38Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.86Å; E64-F67 PolarHBondContact O-N 3.02Å; E64-V77 HydrophobicContact CG-CG1 4.31Å; E64-V77 HydrophobicContact CG-CG2 3.78Å
65G94.7Very high94.7Very high68 Ų6866.5 Ų66.570%0.70135%0.352SS*.G310 helixtrans-72.5-14.6176.500000115.1H63H63-G65 VanDerWaalsContact C-N 3.27Å; H63-G65 PolarHBondContact O-N 2.93Å
66C96.2Very high94.8Very high22 Ų2265.2 Ų65.215%0.14935%0.345CS..G310 helixtrans-93.8-15.6176.7-70.50000112.7C41 E43 W62 H63 E64 K68C41-C66 WeakPolarHBondContact SG-CB 3.43Å; C41-C66 VanDerWaalsContact SG-SG 3.62Å; E43-C66 HydrophobicContact CB-CB 3.8Å; E43-C66 HydrophobicContact CG-CB 4.22Å; W62-C66 HydrophobicContact CB-CB 4.46Å; H63-C66 HydrophobicContact CB-CB 4.01Å; H63-C66 CarbonylContact O-C 3.58Å; H63-C66 WeakPolarHBondContact O-CA 3.3Å; H63-C66 WeakPolarHBondContact O-CB 3.42Å; H63-C66 PolarHBondContact O-N 3.14Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.86Å; C66-K68 VanDerWaalsContact C-N 3.29Å; C66-K68 PolarHBondContact O-N 2.96Å
67F96.8Very high94.9Very high14 Ų1462.4 Ų62.46%0.06133%0.326CS..  trans-81.675.4179.9-162.4-101.7000111L55 W62 H63 E64 L76 V77 F81 L88L55-F67 HydrophobicContact CB-CD2 4.41Å; L55-F67 HydrophobicContact CB-CG 4.48Å; L55-F67 HydrophobicContact CD1-CB 3.52Å; L55-F67 HydrophobicContact CD1-CD1 4.06Å; L55-F67 HydrophobicContact CD1-CD2 4.49Å; L55-F67 HydrophobicContact CD1-CG 3.78Å; W62-F67 HydrophobicContact CB-CB 4.06Å; W62-F67 HydrophobicContact CB-CD2 3.9Å; W62-F67 HydrophobicContact CB-CG 4.49Å; W62-F67 AromaticContact CD2-CD2 3.83Å; W62-F67 HydrophobicContact CD2-CD2 3.83Å; W62-F67 HydrophobicContact CD2-CE2 4.23Å; W62-F67 AromaticContact CE3-CD2 3.93Å; W62-F67 HydrophobicContact CE3-CD2 3.93Å; W62-F67 AromaticContact CE3-CE2 3.97Å; W62-F67 HydrophobicContact CE3-CE2 3.97Å; W62-F67 AromaticContact CG-CD2 3.83Å; W62-F67 HydrophobicContact CG-CD2 3.83Å; W62-F67 HydrophobicContact CZ3-CE2 4.32Å; H63-F67 PolarHBondContact O-N 3.17Å; E64-F67 PolarHBondContact O-N 3.02Å; F67-L76 HydrophobicContact CD1-CB 3.67Å; F67-L76 HydrophobicContact CE1-CB 3.64Å; F67-L76 PolarHBondContact O-N 2.86Å; F67-V77 HydrophobicContact CB-CG2 4.27Å; F67-V77 HydrophobicContact CD1-CG2 4.28Å; F67-F81 HydrophobicContact CE1-CD1 4.26Å; F67-F81 HydrophobicContact CE1-CE1 4.15Å; F67-F81 HydrophobicContact CZ-CD1 4.22Å; F67-F81 AromaticContact CZ-CE1 3.78Å; F67-F81 HydrophobicContact CZ-CE1 3.78Å; F67-F81 HydrophobicContact CZ-CE2 4.32Å; F67-F81 AromaticContact CZ-CZ 3.84Å; F67-F81 HydrophobicContact CZ-CZ 3.84Å; F67-L88 HydrophobicContact CD2-CD1 3.62Å; F67-L88 HydrophobicContact CE2-CD1 3.43Å; F67-L88 VanDerWaalsContact CE2-CD1 3.43Å; F67-L88 HydrophobicContact CG-CD1 4.42Å; F67-L88 HydrophobicContact CZ-CD1 4.08Å
68K97.1Very high94.8Very high58 Ų5866.8 Ų66.825%0.25235%0.349SS..BIsolated β-bridgetrans-131.9158.9-170.968-169.2176.5179.50112.2E43 C66 T70 N73 H74E43-K68 VanDerWaalsContact OE1-CE 3.3Å; E43-K68 WeakPolarHBondContact OE1-CE 3.48Å; E43-K68 IonicContact OE1-NZ 3.69Å; C66-K68 VanDerWaalsContact C-N 3.29Å; C66-K68 PolarHBondContact O-N 2.96Å; K68-T70 PolarHBondContact O-N 3.03Å; K68-N73 HydrophobicContact CD-CB 4.45Å; K68-N73 WeakPolarHBondContact CE-OD1 3.44Å; K68-H74 CarbonylContact C-O 3.58Å; K68-H74 VanDerWaalsContact CA-O 3.29Å; K68-H74 WeakPolarHBondContact CA-O 3.33Å
69C96.3Very high94.9Very high0 Ų064.6 Ų64.60%034%0.339CS..  trans-65.5124.6173.8178.10000110.2K71 C72 N73 H74 L76 C90C69-K71 PolarHBondContact O-N 3.23Å; C69-K71 VanDerWaalsContact O-N 3.09Å; C69-C72 WeakPolarHBondContact CB-SG 3.4Å; C69-N73 WeakPolarHBondContact O-CA 3.4Å; C69-N73 PolarHBondContact O-N 2.91Å; C69-H74 PolarHBondContact N-O 3.32Å; C69-L76 HydrophobicContact CB-CD1 4.43Å; C69-L76 HydrophobicContact CB-CD2 4.14Å; C69-L76 HydrophobicContact CB-CG 4.38Å; C69-C90 HydrophobicContact CB-CB 4.16Å; C69-C90 PolarHBondContact SG-N 3.36Å
70T94.9Very high95Very high57 Ų5762.3 Ų62.335%0.3533%0.332SS..THydrogen-bonded Turntrans-62.6-16.2179.251.10000114.3K68 R87 L88 L89K68-T70 PolarHBondContact O-N 3.03Å; T70-R87 HydrophobicContact CG2-CB 4.11Å; T70-R87 HydrophobicContact CG2-CG 4.42Å; T70-L88 PolarHBondContact N-O 3.35Å; T70-L88 PolarHBondContact OG1-O 2.85Å; T70-L89 VanDerWaalsContact OG1-CD2 3.29Å; T70-L89 WeakPolarHBondContact OG1-CD2 3.49Å
71K93.1Very high95Very high123 Ų12362.1 Ų62.154%0.53533%0.334SS..THydrogen-bonded Turntrans-96.8-48.2179.6-69.5-74.8-174.5173.80113.5C69 L89 C93 E97C69-K71 PolarHBondContact O-N 3.23Å; C69-K71 VanDerWaalsContact O-N 3.09Å; K71-L89 HydrophobicContact CB-CD2 4.21Å; K71-L89 HydrophobicContact CG-CD2 3.44Å; K71-L89 VanDerWaalsContact CG-CD2 3.44Å; K71-C93 HydrophobicContact CB-CB 3.95Å; K71-C93 HydrophobicContact CG-CB 4.26Å; K71-E97 WeakPolarHBondContact CE-OE2 3.42Å; K71-E97 IonicContact NZ-OE2 3.84Å
72C95.1Very high94.8Very high65 Ų6561.3 Ų61.344%0.43933%0.333SS..THydrogen-bonded Turntrans-108.1-2-174.467.80000114C69 H74C69-C72 WeakPolarHBondContact CB-SG 3.4Å; C72-H74 PolarHBondContact O-N 2.85Å
73N95.8Very high94.6Very high102 Ų10262.5 Ų62.555%0.54535%0.346SS..  trans58.211.2-175.8-71.2-58.3000115.6K68 C69K68-N73 HydrophobicContact CD-CB 4.45Å; K68-N73 WeakPolarHBondContact CE-OD1 3.44Å; C69-N73 WeakPolarHBondContact O-CA 3.4Å; C69-N73 PolarHBondContact O-N 2.91Å
74H95.6Very high94.1Very high109 Ų10963.7 Ų63.751%0.50535%0.351SS..  trans-73.1140.6177.3-159.671.8000111.2K68 C69 C72 L76 K79K68-H74 CarbonylContact C-O 3.58Å; K68-H74 VanDerWaalsContact CA-O 3.29Å; K68-H74 WeakPolarHBondContact CA-O 3.33Å; C69-H74 PolarHBondContact N-O 3.32Å; C72-H74 PolarHBondContact O-N 2.85Å; H74-L76 PolarHBondContact O-N 3.06Å; H74-K79 PolarHBondContact CD2-NZ 3.23Å; H74-K79 PolarHBondContact NE2-NZ 3.46Å
75S96.6Very high93.7Very high51 Ų5165.1 Ų65.136%0.35736%0.361SS..BIsolated β-bridgetrans-58.6134.9176.91730000111.2V77S75-V77 WeakPolarHBondContact OG-CG2 3.37Å; S75-V77 PolarHBondContact OG-N 2.91Å
76L96.4Very high93.3Very high2 Ų267.9 Ų67.91%0.0136%0.356CS..  trans-103.71.4176.7-62.1176.6000112.5F67 C69 H74 E78 K79 F81 L88 C90F67-L76 HydrophobicContact CD1-CB 3.67Å; F67-L76 HydrophobicContact CE1-CB 3.64Å; F67-L76 PolarHBondContact O-N 2.86Å; C69-L76 HydrophobicContact CB-CD1 4.43Å; C69-L76 HydrophobicContact CB-CD2 4.14Å; C69-L76 HydrophobicContact CB-CG 4.38Å; H74-L76 PolarHBondContact O-N 3.06Å; L76-E78 PolarHBondContact O-N 3.02Å; L76-K79 PolarHBondContact O-N 2.85Å; L76-F81 HydrophobicContact CB-CB 4.46Å; L76-F81 HydrophobicContact CD1-CB 3.98Å; L76-F81 HydrophobicContact CD2-CB 4.09Å; L76-F81 HydrophobicContact CG-CB 4.41Å; L76-L88 HydrophobicContact CD1-CB 3.6Å; L76-C90 HydrophobicContact CD2-CB 3.64Å
77V95.7Very high93Very high18 Ų1873.5 Ų73.511%0.10937%0.374CS..THydrogen-bonded Turntrans-57.6124.9-179.6-176.80000108.9L55 E64 F67 S75 K79L55-V77 HydrophobicContact CD1-CG1 4.37Å; L55-V77 HydrophobicContact CD1-CG2 3.67Å; E64-V77 HydrophobicContact CG-CG1 4.31Å; E64-V77 HydrophobicContact CG-CG2 3.78Å; F67-V77 HydrophobicContact CB-CG2 4.27Å; F67-V77 HydrophobicContact CD1-CG2 4.28Å; S75-V77 WeakPolarHBondContact OG-CG2 3.37Å; S75-V77 PolarHBondContact OG-N 2.91Å; V77-K79 PolarHBondContact O-N 2.86Å
78E91.4Very high92.8Very high168 Ų16873.3 Ų73.379%0.78537%0.374SS*.THydrogen-bonded Turntrans5816.8-179.8-63.7167.1-167.900114.5K53 L76K53-E78 IonicContact NZ-OE1 2.82Å; K53-E78 PolarHBondContact NZ-OE1 2.9Å; L76-E78 PolarHBondContact O-N 3.02Å
79K91.9Very high92.7Very high96 Ų9670.6 Ų70.642%0.41736%0.362SS..SBendtrans-112.4149.8177.3-68177.8-171.2171.30110.9H74 L76 V77 F81H74-K79 PolarHBondContact CD2-NZ 3.23Å; H74-K79 PolarHBondContact NE2-NZ 3.46Å; L76-K79 PolarHBondContact O-N 2.85Å; V77-K79 PolarHBondContact O-N 2.86Å; K79-F81 WeakPolarHBondContact O-CD1 3.48Å; K79-F81 PolarHBondContact O-N 3.36Å
80P91.5Very high92.6Very high100 Ų10071.5 Ų71.565%0.64937%0.368SS*.  trans-59.1137.2169.6-21.132.5000111.1T91P80-T91 HydrophobicContact CB-CG2 3.85Å
81F93.8Very high92.3Very high63 Ų6372.5 Ų72.528%0.27637%0.374SS..EExtended strand (participates in β ladder)trans-144.1164.3178.668.5-88.3000110.9Y57 F67 L76 K79 A83 L88 L89Y57-F81 HydrophobicContact CD1-CE2 4.17Å; Y57-F81 HydrophobicContact CD1-CZ 4.34Å; Y57-F81 HydrophobicContact CD2-CE2 4.14Å; Y57-F81 AromaticContact CD2-CZ 3.6Å; Y57-F81 HydrophobicContact CD2-CZ 3.6Å; Y57-F81 HydrophobicContact CE1-CE2 4.07Å; Y57-F81 HydrophobicContact CE1-CZ 4.49Å; Y57-F81 HydrophobicContact CE2-CE2 4.03Å; Y57-F81 AromaticContact CE2-CZ 3.77Å; Y57-F81 HydrophobicContact CE2-CZ 3.77Å; Y57-F81 HydrophobicContact CG-CE2 4.19Å; Y57-F81 AromaticContact CG-CZ 3.89Å; Y57-F81 HydrophobicContact CG-CZ 3.89Å; Y57-F81 AromaticContact CZ-CE2 3.99Å; F67-F81 HydrophobicContact CE1-CD1 4.26Å; F67-F81 HydrophobicContact CE1-CE1 4.15Å; F67-F81 HydrophobicContact CZ-CD1 4.22Å; F67-F81 AromaticContact CZ-CE1 3.78Å; F67-F81 HydrophobicContact CZ-CE1 3.78Å; F67-F81 HydrophobicContact CZ-CE2 4.32Å; F67-F81 AromaticContact CZ-CZ 3.84Å; F67-F81 HydrophobicContact CZ-CZ 3.84Å; L76-F81 HydrophobicContact CB-CB 4.46Å; L76-F81 HydrophobicContact CD1-CB 3.98Å; L76-F81 HydrophobicContact CD2-CB 4.09Å; L76-F81 HydrophobicContact CG-CB 4.41Å; K79-F81 WeakPolarHBondContact O-CD1 3.48Å; K79-F81 PolarHBondContact O-N 3.36Å; F81-A83 HydrophobicContact CE2-CB 4.48Å; F81-L88 HydrophobicContact CD2-CD2 3.94Å; F81-L88 HydrophobicContact CE2-CD2 3.79Å; F81-L89 WeakPolarHBondContact CA-O 3.17Å; F81-L89 WeakPolarHBondContact CB-O 3.29Å
82A91.4Very high92Very high19 Ų1972.8 Ų72.816%0.15738%0.377CS..EExtended strand (participates in β ladder)trans-114.4138.6170.200000109.6L89 Y94A82-L89 PolarHBondContact N-O 3.32Å; A82-L89 PolarHBondContact O-N 2.85Å; A82-Y94 HydrophobicContact CB-CD1 3.85Å; A82-Y94 HydrophobicContact CB-CD2 3.43Å; A82-Y94 VanDerWaalsContact CB-CD2 3.43Å; A82-Y94 HydrophobicContact CB-CE1 4.29Å; A82-Y94 HydrophobicContact CB-CE2 3.9Å; A82-Y94 HydrophobicContact CB-CG 3.39Å
83A91.2Very high91.7Very high38 Ų3870.6 Ų70.631%0.31436%0.363SS..EExtended strand (participates in β ladder)trans-107111.817000000108.5Y57 F81 R87 L88Y57-A83 HydrophobicContact CE1-CB 3.55Å; F81-A83 HydrophobicContact CE2-CB 4.48Å; A83-R87 WeakPolarHBondContact CA-O 3.29Å; A83-L88 HydrophobicContact CB-CD2 4.3Å
84K85.7Confident91.3Very high66 Ų6670 Ų7029%0.28735%0.353SS..EExtended strand (participates in β ladder)trans-130.9128.6179.8-178.2-171.8169.2-164.90109E86 R87 Y94 E97K84-E86 PolarHBondContact O-N 3.47Å; K84-E86 VanDerWaalsContact O-N 3.17Å; K84-R87 PolarHBondContact N-O 3.09Å; K84-R87 WeakPolarHBondContact O-CB 3.49Å; K84-R87 PolarHBondContact O-N 3.17Å; K84-Y94 HydrophobicContact CB-CD2 4.45Å; K84-Y94 HydrophobicContact CB-CE2 4.12Å; K84-Y94 HydrophobicContact CD-CE2 4.01Å; K84-E97 IonicContact NZ-OE1 2.85Å; K84-E97 PolarHBondContact NZ-OE1 2.7Å
85D86.7Confident90.6Very high129 Ų12965.7 Ų65.769%0.6934%0.336SS*.THydrogen-bonded Turntrans48.843.7180-51.6-39.4000112.1R87D85-R87 PolarHBondContact O-N 3.16Å; D85-R87 VanDerWaalsContact O-N 3.14Å
86E85.4Confident89.8Confident126 Ų12666.9 Ų66.959%0.58934%0.338SS*.THydrogen-bonded Turntrans6411.8-177.5-52.2-53.3166.200116.4R60 K84R60-E86 IonicContact CZ-OE2 3Å; R60-E86 IonicContact NE-OE2 3.44Å; R60-E86 PolarHBondContact NE-OE2 2.86Å; R60-E86 IonicContact NH1-OE2 2.93Å; R60-E86 PolarHBondContact NH1-OE2 2.82Å; R60-E86 IonicContact NH2-OE1 3.35Å; R60-E86 PolarHBondContact NH2-OE1 3Å; R60-E86 IonicContact NH2-OE2 2.88Å; R60-E86 PolarHBondContact NH2-OE2 3.32Å; K84-E86 PolarHBondContact O-N 3.47Å; K84-E86 VanDerWaalsContact O-N 3.17Å
87R90.1Very high88.9Confident139 Ų13970.4 Ų70.453%0.52536%0.355SS..EExtended strand (participates in β ladder)trans-102.5134174.2-63177.6178.7166.5-0110.9T70 A83 K84 D85T70-R87 HydrophobicContact CG2-CB 4.11Å; T70-R87 HydrophobicContact CG2-CG 4.42Å; A83-R87 WeakPolarHBondContact CA-O 3.29Å; K84-R87 PolarHBondContact N-O 3.09Å; K84-R87 WeakPolarHBondContact O-CB 3.49Å; K84-R87 PolarHBondContact O-N 3.17Å; D85-R87 PolarHBondContact O-N 3.16Å; D85-R87 VanDerWaalsContact O-N 3.14Å
88L94.2Very high87.7Confident10 Ų1072.2 Ų72.25%0.05237%0.367CS..EExtended strand (participates in β ladder)trans-83.5126.9169.9-56.9177.9000109.4W62 F67 T70 L76 F81 A83W62-L88 HydrophobicContact CD2-CD1 4.36Å; W62-L88 HydrophobicContact CH2-CD1 4.42Å; W62-L88 HydrophobicContact CZ2-CD1 3.9Å; W62-L88 HydrophobicContact CZ2-CG 4.33Å; F67-L88 HydrophobicContact CD2-CD1 3.62Å; F67-L88 HydrophobicContact CE2-CD1 3.43Å; F67-L88 VanDerWaalsContact CE2-CD1 3.43Å; F67-L88 HydrophobicContact CG-CD1 4.42Å; F67-L88 HydrophobicContact CZ-CD1 4.08Å; T70-L88 PolarHBondContact N-O 3.35Å; T70-L88 PolarHBondContact OG1-O 2.85Å; L76-L88 HydrophobicContact CD1-CB 3.6Å; F81-L88 HydrophobicContact CD2-CD2 3.94Å; F81-L88 HydrophobicContact CE2-CD2 3.79Å; A83-L88 HydrophobicContact CB-CD2 4.3Å
89L93.8Very high86.8Confident2 Ų265.3 Ų65.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-128.8135.7-180-65.9172.4000109.5T70 K71 F81 A82 C93 Y94T70-L89 VanDerWaalsContact OG1-CD2 3.29Å; T70-L89 WeakPolarHBondContact OG1-CD2 3.49Å; K71-L89 HydrophobicContact CB-CD2 4.21Å; K71-L89 HydrophobicContact CG-CD2 3.44Å; K71-L89 VanDerWaalsContact CG-CD2 3.44Å; F81-L89 WeakPolarHBondContact CA-O 3.17Å; F81-L89 WeakPolarHBondContact CB-O 3.29Å; A82-L89 PolarHBondContact N-O 3.32Å; A82-L89 PolarHBondContact O-N 2.85Å; L89-C93 HydrophobicContact CD2-CB 4.29Å; L89-Y94 HydrophobicContact CD1-CD2 4.07Å
90C93.8Very high86.4Confident18 Ų1861.9 Ų61.912%0.12233%0.326CS..EExtended strand (participates in β ladder)trans-64.6158.1166.569.50000109.6C69 L76 E92 C93 Y94C69-C90 HydrophobicContact CB-CB 4.16Å; C69-C90 PolarHBondContact SG-N 3.36Å; L76-C90 HydrophobicContact CD2-CB 3.64Å; C90-E92 PolarHBondContact O-N 3.41Å; C90-E92 VanDerWaalsContact O-N 3.16Å; C90-C93 PolarHBondContact O-N 3.34Å; C90-C93 VanDerWaalsContact O-N 3.17Å; C90-C93 PolarHBondContact SG-N 3Å; C90-C93 PolarHBondContact SG-SG 3.04Å; C90-Y94 WeakPolarHBondContact O-CB 3.41Å; C90-Y94 PolarHBondContact O-N 3.42Å
91T88.9Confident86.3Confident78 Ų7864.3 Ų64.348%0.47933%0.326SS..Hα-helixtrans-53.1-37.6179.948.80000112.8P80 S95P80-T91 HydrophobicContact CB-CG2 3.85Å; T91-S95 WeakPolarHBondContact O-CB 3.4Å; T91-S95 PolarHBondContact O-N 3.31Å; T91-S95 PolarHBondContact O-OG 3.03Å
92E86.8Confident86.1Confident129 Ų12961.3 Ų61.360%0.60331%0.313SS*.Hα-helixtrans-69-48.5177.9-172.6178.2-175.200112.7C90 S95 N96C90-E92 PolarHBondContact O-N 3.41Å; C90-E92 VanDerWaalsContact O-N 3.16Å; E92-S95 WeakPolarHBondContact O-CB 3.43Å; E92-S95 PolarHBondContact O-N 3.48Å; E92-N96 WeakPolarHBondContact O-CB 3.21Å; E92-N96 PolarHBondContact O-N 3.47Å; E92-N96 PolarHBondContact O-ND2 2.89Å
93C89.6Confident86.1Confident20 Ų2065 Ų6514%0.13533%0.326CS..Hα-helixtrans-66.6-41.7178.5-70.40000112.1K71 L89 C90 S95 N96 E97K71-C93 HydrophobicContact CB-CB 3.95Å; K71-C93 HydrophobicContact CG-CB 4.26Å; L89-C93 HydrophobicContact CD2-CB 4.29Å; C90-C93 PolarHBondContact O-N 3.34Å; C90-C93 VanDerWaalsContact O-N 3.17Å; C90-C93 PolarHBondContact SG-N 3Å; C90-C93 PolarHBondContact SG-SG 3.04Å; C93-S95 VanDerWaalsContact C-N 3.28Å; C93-S95 PolarHBondContact O-N 3.47Å; C93-N96 PolarHBondContact O-N 2.88Å; C93-E97 PolarHBondContact O-N 3.47Å
94Y87.4Confident86.1Confident88 Ų8867.7 Ų67.735%0.34533%0.332SS..Hα-helixtrans-59.6-44.1172.7-180-103.9000110.8A82 K84 L89 C90 N96 E97 C98A82-Y94 HydrophobicContact CB-CD1 3.85Å; A82-Y94 HydrophobicContact CB-CD2 3.43Å; A82-Y94 VanDerWaalsContact CB-CD2 3.43Å; A82-Y94 HydrophobicContact CB-CE1 4.29Å; A82-Y94 HydrophobicContact CB-CE2 3.9Å; A82-Y94 HydrophobicContact CB-CG 3.39Å; K84-Y94 HydrophobicContact CB-CD2 4.45Å; K84-Y94 HydrophobicContact CB-CE2 4.12Å; K84-Y94 HydrophobicContact CD-CE2 4.01Å; L89-Y94 HydrophobicContact CD1-CD2 4.07Å; C90-Y94 WeakPolarHBondContact O-CB 3.41Å; C90-Y94 PolarHBondContact O-N 3.42Å; Y94-N96 PolarHBondContact O-N 3.4Å; Y94-E97 PolarHBondContact O-N 3.45Å; Y94-C98 PolarHBondContact O-N 3.24Å
95S81Confident86.3Confident20 Ų2066.5 Ų66.514%0.1433%0.331CS..Hα-helixtrans-60.9-46.3179.3-75.90000112.2T91 E92 C93 E97 C98 S99 P111T91-S95 WeakPolarHBondContact O-CB 3.4Å; T91-S95 PolarHBondContact O-N 3.31Å; T91-S95 PolarHBondContact O-OG 3.03Å; E92-S95 WeakPolarHBondContact O-CB 3.43Å; E92-S95 PolarHBondContact O-N 3.48Å; C93-S95 VanDerWaalsContact C-N 3.28Å; C93-S95 PolarHBondContact O-N 3.47Å; S95-E97 PolarHBondContact O-N 3.05Å; S95-C98 PolarHBondContact O-N 2.91Å; S95-S99 VanDerWaalsContact O-CB 3.23Å; S95-S99 WeakPolarHBondContact O-CB 3.05Å; S95-S99 PolarHBondContact O-N 2.82Å; S95-P111 WeakPolarHBondContact O-CD 3.18Å; S95-P111 WeakPolarHBondContact O-CG 3.15Å
96N79.8Confident86.5Confident75 Ų7566.6 Ų66.640%0.40133%0.325SS..Hα-helixtrans-64.2-39.2178.6-75.4-25.1000112.2E92 C93 Y94 S99E92-N96 WeakPolarHBondContact O-CB 3.21Å; E92-N96 PolarHBondContact O-N 3.47Å; E92-N96 PolarHBondContact O-ND2 2.89Å; C93-N96 PolarHBondContact O-N 2.88Å; Y94-N96 PolarHBondContact O-N 3.4Å; N96-S99 PolarHBondContact O-N 3.39Å; N96-S99 PolarHBondContact O-OG 3.39Å
97E75.9Confident86.6Confident77 Ų7768.8 Ų68.836%0.3633%0.328SS..Hα-helixtrans-68.8-37.2179-165.9178.212600112.6K71 K84 C93 Y94 S95 S99K71-E97 WeakPolarHBondContact CE-OE2 3.42Å; K71-E97 IonicContact NZ-OE2 3.84Å; K84-E97 IonicContact NZ-OE1 2.85Å; K84-E97 PolarHBondContact NZ-OE1 2.7Å; C93-E97 PolarHBondContact O-N 3.47Å; Y94-E97 PolarHBondContact O-N 3.45Å; S95-E97 PolarHBondContact O-N 3.05Å; E97-S99 VanDerWaalsContact C-N 3.3Å
98C70.9Confident86.4Confident55 Ų5564.4 Ų64.437%0.37232%0.317SS..THydrogen-bonded Turntrans-87.10.3177.9-65.40000113.1Y94 S95 S100Y94-C98 PolarHBondContact O-N 3.24Å; S95-C98 PolarHBondContact O-N 2.91Å; C98-S100 PolarHBondContact O-N 3.33Å
99S72.8Confident86.1Confident24 Ų2464.1 Ų64.117%0.16832%0.315CS..PPolyproline II helixtrans-76.3128.5-171.966.50000113.1S95 N96 E97 T108 I109S95-S99 VanDerWaalsContact O-CB 3.23Å; S95-S99 WeakPolarHBondContact O-CB 3.05Å; S95-S99 PolarHBondContact O-N 2.82Å; N96-S99 PolarHBondContact O-N 3.39Å; N96-S99 PolarHBondContact O-OG 3.39Å; E97-S99 VanDerWaalsContact C-N 3.3Å; S99-T108 VanDerWaalsContact OG-CG2 3.23Å; S99-T108 WeakPolarHBondContact OG-CG2 3.48Å; S99-T108 PolarHBondContact OG-OG1 2.88Å; S99-I109 WeakPolarHBondContact CB-O 3.49Å
100S84.1Confident85.5Confident24 Ų2468.1 Ų68.117%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-74.9139165.5-51.10000109.2C98 I109 K115 Y122C98-S100 PolarHBondContact O-N 3.33Å; S100-I109 VanDerWaalsContact O-CB 3.3Å; S100-I109 WeakPolarHBondContact O-CB 3.3Å; S100-I109 WeakPolarHBondContact O-CG1 3.23Å; S100-I109 PolarHBondContact O-N 3.06Å; S100-K115 PolarHBondContact OG-NZ 3.28Å; S100-Y122 VanDerWaalsContact CB-CD2 3.5Å
101K88.4Confident84.6Confident151 Ų15169.8 Ų69.866%0.65735%0.345SS*.EExtended strand (participates in β ladder)trans-85.1137.2172.6-66-176-178.8-179.20110.1F103K101-F103 PolarHBondContact O-N 2.8Å
102C91.1Very high83.8Confident0 Ų070.4 Ų70.40%037%0.367CS..BIsolated β-bridgetrans-66.1127173.8178.10000110.1H104 K106 R107 I109 Y122 H124C102-H104 VanDerWaalsContact C-N 3.26Å; C102-H104 PolarHBondContact O-N 3.08Å; C102-K106 WeakPolarHBondContact O-CA 3.43Å; C102-K106 PolarHBondContact O-N 3.18Å; C102-R107 WeakPolarHBondContact CB-O 3.23Å; C102-R107 PolarHBondContact N-O 3.29Å; C102-I109 HydrophobicContact CB-CD1 4.11Å; C102-I109 HydrophobicContact CB-CG1 3.94Å; C102-Y122 CarbonylContact C-O 3.54Å; C102-Y122 VanDerWaalsContact CA-O 3.31Å; C102-Y122 WeakPolarHBondContact CA-O 3.35Å; C102-H124 WeakPolarHBondContact CB-CE1 3.46Å; C102-H124 WeakPolarHBondContact CB-ND1 3.45Å; C102-H124 PolarHBondContact SG-N 3.11Å; C102-H124 PolarHBondContact SG-ND1 3Å
103F90.8Very high83.5Confident96 Ų9667.3 Ų67.342%0.42136%0.36SS..THydrogen-bonded Turntrans-64.9-31.7-177.6-170.7-93.2000112.6K101 K106 N121 Y122 W123K101-F103 PolarHBondContact O-N 2.8Å; F103-K106 VanDerWaalsContact O-CE 3.3Å; F103-K106 WeakPolarHBondContact O-CE 3.26Å; F103-K106 PolarHBondContact O-NZ 3.4Å; F103-N121 HydrophobicContact CB-CB 4.07Å; F103-N121 HydrophobicContact CD2-CB 3.88Å; F103-N121 VanDerWaalsContact CD2-CG 3.42Å; F103-N121 WeakPolarHBondContact CD2-OD1 3.31Å; F103-N121 WeakPolarHBondContact CE2-OD1 3.35Å; F103-N121 HydrophobicContact CG-CB 4.08Å; F103-Y122 PolarHBondContact N-O 3.48Å; F103-W123 HydrophobicContact CB-CD2 4.06Å; F103-W123 HydrophobicContact CB-CH2 4.39Å; F103-W123 HydrophobicContact CB-CZ2 3.75Å; F103-W123 AromaticContact CD1-CE2 4Å; F103-W123 AromaticContact CD1-CH2 3.62Å; F103-W123 HydrophobicContact CD1-CH2 3.62Å; F103-W123 AromaticContact CD1-CZ2 3.23Å; F103-W123 HydrophobicContact CD1-CZ2 3.23Å; F103-W123 HydrophobicContact CE1-CH2 4.43Å; F103-W123 HydrophobicContact CE1-CZ2 4.11Å; F103-W123 HydrophobicContact CG-CH2 4.45Å; F103-W123 AromaticContact CG-CZ2 3.82Å; F103-W123 HydrophobicContact CG-CZ2 3.82Å
104H90.4Very high83.3Confident95 Ų9575.8 Ų75.844%0.4439%0.389SS..THydrogen-bonded Turntrans-73.6-69.1176.7-170.260.4000112.5C102 K106 W123 C127C102-H104 VanDerWaalsContact C-N 3.26Å; C102-H104 PolarHBondContact O-N 3.08Å; H104-K106 VanDerWaalsContact C-N 3.35Å; H104-K106 PolarHBondContact O-N 2.73Å; H104-W123 HydrophobicContact CB-CE3 3.6Å; H104-W123 HydrophobicContact CB-CH2 4.37Å; H104-W123 HydrophobicContact CB-CZ3 3.44Å; H104-W123 VanDerWaalsContact CB-CZ3 3.44Å; H104-C127 HydrophobicContact CB-CB 3.91Å
105C91.3Very high83.3Confident40 Ų4076.1 Ų76.127%0.2739%0.392SS..THydrogen-bonded Turntrans-89.4-1.7-169.771.40000113.7R107 H124C105-R107 PolarHBondContact O-N 2.95Å; C105-H124 PolarHBondContact SG-CE1 3.22Å; C105-H124 PolarHBondContact SG-ND1 3.4Å; C105-H124 VanDerWaalsContact SG-ND1 3.39Å
106K89.3Confident83.8Confident132 Ų13276.7 Ų76.757%0.57439%0.393SS*.  trans60.91.1-178.4-49.6-54.2-174.9-170.70115.5C102 F103 H104C102-K106 WeakPolarHBondContact O-CA 3.43Å; C102-K106 PolarHBondContact O-N 3.18Å; F103-K106 VanDerWaalsContact O-CE 3.3Å; F103-K106 WeakPolarHBondContact O-CE 3.26Å; F103-K106 PolarHBondContact O-NZ 3.4Å; H104-K106 VanDerWaalsContact C-N 3.35Å; H104-K106 PolarHBondContact O-N 2.73Å
107R88.2Confident84.3Confident171 Ų17179 Ų7965%0.64540%0.402SS*.  trans-78.2152.4175.5-62.6-176.3-69.3-178.1-2.2111.5C102 C105C102-R107 WeakPolarHBondContact CB-O 3.23Å; C102-R107 PolarHBondContact N-O 3.29Å; C105-R107 PolarHBondContact O-N 2.95Å
108T86Confident85Confident47 Ų4778 Ų7829%0.28840%0.396SS..EExtended strand (participates in β ladder)trans-55.2133.9172.6-730000111.8S99 M110 H124S99-T108 VanDerWaalsContact OG-CG2 3.23Å; S99-T108 WeakPolarHBondContact OG-CG2 3.48Å; S99-T108 PolarHBondContact OG-OG1 2.88Å; T108-M110 HydrophobicContact CG2-SD 3.92Å; T108-H124 PolarHBondContact O-NE2 3.39Å; T108-H124 VanDerWaalsContact O-NE2 3.11Å
109I87.9Confident85.8Confident5 Ų582.7 Ų82.73%0.02641%0.41CS..EExtended strand (participates in β ladder)trans-91.6114.1165.4-57.2166.5000106.7S99 S100 C102 K115S99-I109 WeakPolarHBondContact CB-O 3.49Å; S100-I109 VanDerWaalsContact O-CB 3.3Å; S100-I109 WeakPolarHBondContact O-CB 3.3Å; S100-I109 WeakPolarHBondContact O-CG1 3.23Å; S100-I109 PolarHBondContact O-N 3.06Å; C102-I109 HydrophobicContact CB-CD1 4.11Å; C102-I109 HydrophobicContact CB-CG1 3.94Å; I109-K115 HydrophobicContact CD1-CB 4.45Å; I109-K115 HydrophobicContact CG2-CB 3.88Å
110M81.2Confident86.5Confident85 Ų8584.3 Ų84.342%0.41943%0.431SS..  trans-63133.5-177-66.8-56.3-6400110.8T108 S113T108-M110 HydrophobicContact CG2-SD 3.92Å; M110-S113 WeakPolarHBondContact O-CB 3.1Å; M110-S113 PolarHBondContact O-N 2.94Å; M110-S113 PolarHBondContact O-OG 3.41Å
111P74Confident86.8Confident53 Ų5386 Ų8634%0.34444%0.438SS..THydrogen-bonded Turntrans-55.6144.6171.8-32.944.8000112.3S95 S113S95-P111 WeakPolarHBondContact O-CD 3.18Å; S95-P111 WeakPolarHBondContact O-CG 3.15Å; P111-S113 PolarHBondContact O-N 3.14Å
112G73.5Confident86.9Confident91 Ų9182.3 Ų82.394%0.93842%0.421SS*.THydrogen-bonded Turntrans78.5-14.1-171.500000114.8
113S79.9Confident87Confident65 Ų6583.4 Ų83.446%0.45543%0.425SS..SBendtrans-76.1147.1171-560000110.8M110 P111 K115M110-S113 WeakPolarHBondContact O-CB 3.1Å; M110-S113 PolarHBondContact O-N 2.94Å; M110-S113 PolarHBondContact O-OG 3.41Å; P111-S113 PolarHBondContact O-N 3.14Å; S113-K115 PolarHBondContact O-N 3.34Å
114R84.5Confident87Confident198 Ų19880.6 Ų80.675%0.74741%0.413SS*.  trans-63.4131.6170.1-64.3-175.4177.9-175.5-1.9109.5E125R114-E125 VanDerWaalsContact CB-CD 3.48Å; R114-E125 HydrophobicContact CB-CG 4.11Å; R114-E125 WeakPolarHBondContact CB-OE1 3.38Å; R114-E125 WeakPolarHBondContact CD-OE1 3.42Å
115K88.9Confident87Confident94 Ų9480.3 Ų80.341%0.40941%0.412SS..EExtended strand (participates in β ladder)trans-129.4146-179.772.1179-176.3170.30109.8S100 I109 S113 Y122S100-K115 PolarHBondContact OG-NZ 3.28Å; I109-K115 HydrophobicContact CD1-CB 4.45Å; I109-K115 HydrophobicContact CG2-CB 3.88Å; S113-K115 PolarHBondContact O-N 3.34Å; K115-Y122 HydrophobicContact CD-CD1 3.78Å; K115-Y122 HydrophobicContact CD-CE1 4.27Å
116M90.9Very high87Confident33 Ų3384 Ų8416%0.16343%0.433CS..EExtended strand (participates in β ladder)trans-96.4137.6172.6-62.8-59.6-6300109.4Y122 W123 E125 F128 G138M116-Y122 CarbonylContact O-C 3.52Å; M116-Y122 WeakPolarHBondContact O-CA 3.36Å; M116-W123 HydrophobicContact CB-CB 4.27Å; M116-W123 PolarHBondContact N-O 2.79Å; M116-W123 PolarHBondContact O-N 3.33Å; M116-E125 HydrophobicContact CG-CG 4.13Å; M116-E125 HydrophobicContact SD-CG 4.36Å; M116-F128 HydrophobicContact CB-CB 4.04Å; M116-F128 HydrophobicContact CB-CD1 4.17Å; M116-F128 HydrophobicContact CB-CD2 4.45Å; M116-F128 HydrophobicContact CB-CG 3.96Å; M116-F128 HydrophobicContact CE-CD1 3.98Å; M116-F128 HydrophobicContact CE-CE1 4.19Å; M116-F128 HydrophobicContact CG-CB 3.9Å; M116-F128 HydrophobicContact CG-CD1 4.11Å; M116-F128 HydrophobicContact CG-CG 4.13Å; M116-G138 VanDerWaalsContact CE-O 3.26Å; M116-G138 WeakPolarHBondContact CE-O 3.05Å
117E91.2Very high87.2Confident123 Ų12378.4 Ų78.458%0.57541%0.41SS*.EExtended strand (participates in β ladder)trans-115128.3173.4-171.9178153.600109.7N121 Y122E117-N121 WeakPolarHBondContact CA-O 3.28Å; E117-Y122 HydrophobicContact CB-CD1 4.34Å; E117-Y122 HydrophobicContact CB-CE1 4.37Å; E117-Y122 HydrophobicContact CG-CD1 4.31Å; E117-Y122 HydrophobicContact CG-CE1 4.05Å
118F89.4Confident87.5Confident56 Ų5670.4 Ų70.425%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-150.4126177.5-177.2-105.7000110.5G120 N121 F128 L142 S144F118-G120 VanDerWaalsContact C-N 3.29Å; F118-G120 PolarHBondContact O-N 3.49Å; F118-N121 PolarHBondContact N-O 3.28Å; F118-N121 WeakPolarHBondContact O-CB 3.11Å; F118-N121 PolarHBondContact O-N 2.9Å; F118-F128 HydrophobicContact CB-CE2 3.74Å; F118-F128 HydrophobicContact CB-CZ 3.75Å; F118-F128 HydrophobicContact CD1-CE2 4.3Å; F118-F128 HydrophobicContact CD1-CZ 4.38Å; F118-F128 HydrophobicContact CD2-CZ 4.32Å; F118-F128 HydrophobicContact CG-CE2 4.11Å; F118-F128 AromaticContact CG-CZ 3.9Å; F118-F128 HydrophobicContact CG-CZ 3.9Å; F118-L142 HydrophobicContact CD2-CD2 4.13Å; F118-L142 HydrophobicContact CE1-CD1 3.91Å; F118-L142 HydrophobicContact CE1-CD2 4.49Å; F118-L142 HydrophobicContact CE2-CD1 4.28Å; F118-L142 HydrophobicContact CE2-CD2 3.87Å; F118-L142 HydrophobicContact CE2-CG 4.2Å; F118-L142 HydrophobicContact CZ-CD1 3.64Å; F118-L142 HydrophobicContact CZ-CD2 4.06Å; F118-L142 HydrophobicContact CZ-CG 4.06Å; F118-S144 VanDerWaalsContact CE1-OG 3.28Å; F118-S144 WeakPolarHBondContact CE1-OG 3.3Å
119K87.8Confident87.9Confident154 Ų15469.2 Ų69.267%0.6737%0.373SS*.THydrogen-bonded Turntrans48.847-178.4-64.8-177.5175.2178.20113N121K119-N121 PolarHBondContact O-N 2.92Å; K119-N121 PolarHBondContact O-ND2 2.83Å; K119-N121 VanDerWaalsContact O-ND2 3.08Å
120G87Confident88.1Confident58 Ų5869 Ų6960%0.59837%0.371SS*.THydrogen-bonded Turntrans70.46179.600000115.4F118F118-G120 VanDerWaalsContact C-N 3.29Å; F118-G120 PolarHBondContact O-N 3.49Å
121N90.1Very high88.7Confident59 Ų5967.5 Ų67.532%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-110.6150.5178.2-68.7-71.7000111.2F103 E117 F118 K119F103-N121 HydrophobicContact CB-CB 4.07Å; F103-N121 HydrophobicContact CD2-CB 3.88Å; F103-N121 VanDerWaalsContact CD2-CG 3.42Å; F103-N121 WeakPolarHBondContact CD2-OD1 3.31Å; F103-N121 WeakPolarHBondContact CE2-OD1 3.35Å; F103-N121 HydrophobicContact CG-CB 4.08Å; E117-N121 WeakPolarHBondContact CA-O 3.28Å; F118-N121 PolarHBondContact N-O 3.28Å; F118-N121 WeakPolarHBondContact O-CB 3.11Å; F118-N121 PolarHBondContact O-N 2.9Å; K119-N121 PolarHBondContact O-N 2.92Å; K119-N121 PolarHBondContact O-ND2 2.83Å; K119-N121 VanDerWaalsContact O-ND2 3.08Å
122Y91.7Very high89.6Confident74 Ų7468.5 Ų68.529%0.2937%0.366SS..EExtended strand (participates in β ladder)trans-108145.4-179.4-58-79.9000111.7S100 C102 F103 K115 M116 E117S100-Y122 VanDerWaalsContact CB-CD2 3.5Å; C102-Y122 CarbonylContact C-O 3.54Å; C102-Y122 VanDerWaalsContact CA-O 3.31Å; C102-Y122 WeakPolarHBondContact CA-O 3.35Å; F103-Y122 PolarHBondContact N-O 3.48Å; K115-Y122 HydrophobicContact CD-CD1 3.78Å; K115-Y122 HydrophobicContact CD-CE1 4.27Å; M116-Y122 CarbonylContact O-C 3.52Å; M116-Y122 WeakPolarHBondContact O-CA 3.36Å; E117-Y122 HydrophobicContact CB-CD1 4.34Å; E117-Y122 HydrophobicContact CB-CE1 4.37Å; E117-Y122 HydrophobicContact CG-CD1 4.31Å; E117-Y122 HydrophobicContact CG-CE1 4.05Å
123W92.8Very high90.5Very high22 Ų2266.5 Ų66.58%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-138.7148.2-178.4-56.870.2000110.3F103 H104 M116 C127 F128F103-W123 HydrophobicContact CB-CD2 4.06Å; F103-W123 HydrophobicContact CB-CH2 4.39Å; F103-W123 HydrophobicContact CB-CZ2 3.75Å; F103-W123 AromaticContact CD1-CE2 4Å; F103-W123 AromaticContact CD1-CH2 3.62Å; F103-W123 HydrophobicContact CD1-CH2 3.62Å; F103-W123 AromaticContact CD1-CZ2 3.23Å; F103-W123 HydrophobicContact CD1-CZ2 3.23Å; F103-W123 HydrophobicContact CE1-CH2 4.43Å; F103-W123 HydrophobicContact CE1-CZ2 4.11Å; F103-W123 HydrophobicContact CG-CH2 4.45Å; F103-W123 AromaticContact CG-CZ2 3.82Å; F103-W123 HydrophobicContact CG-CZ2 3.82Å; H104-W123 HydrophobicContact CB-CE3 3.6Å; H104-W123 HydrophobicContact CB-CH2 4.37Å; H104-W123 HydrophobicContact CB-CZ3 3.44Å; H104-W123 VanDerWaalsContact CB-CZ3 3.44Å; M116-W123 HydrophobicContact CB-CB 4.27Å; M116-W123 PolarHBondContact N-O 2.79Å; M116-W123 PolarHBondContact O-N 3.33Å; W123-C127 HydrophobicContact CE3-CB 4.43Å; W123-F128 HydrophobicContact CB-CB 4.03Å; W123-F128 HydrophobicContact CB-CD2 3.99Å; W123-F128 HydrophobicContact CB-CG 4.41Å; W123-F128 AromaticContact CD1-CD2 3.93Å; W123-F128 AromaticContact CD2-CD2 3.75Å; W123-F128 HydrophobicContact CD2-CD2 3.75Å; W123-F128 HydrophobicContact CD2-CE2 4.39Å; W123-F128 HydrophobicContact CE3-CD2 4.11Å; W123-F128 AromaticContact CG-CD2 3.66Å; W123-F128 HydrophobicContact CG-CD2 3.66Å; W123-F128 HydrophobicContact CG-CE2 4.36Å
124H91.6Very high91.1Very high38 Ų3869.8 Ų69.818%0.17634%0.34CS..EExtended strand (participates in β ladder)trans-62.6145159.7-57.9107.6000108.7C102 C105 T108 T126 C127 F128C102-H124 WeakPolarHBondContact CB-CE1 3.46Å; C102-H124 WeakPolarHBondContact CB-ND1 3.45Å; C102-H124 PolarHBondContact SG-N 3.11Å; C102-H124 PolarHBondContact SG-ND1 3Å; C105-H124 PolarHBondContact SG-CE1 3.22Å; C105-H124 PolarHBondContact SG-ND1 3.4Å; C105-H124 VanDerWaalsContact SG-ND1 3.39Å; T108-H124 PolarHBondContact O-NE2 3.39Å; T108-H124 VanDerWaalsContact O-NE2 3.11Å; H124-T126 PolarHBondContact O-N 3.01Å; H124-C127 HydrophobicContact CB-CB 4.01Å; H124-C127 CarbonylContact O-C 3.55Å; H124-C127 WeakPolarHBondContact O-CA 3.22Å; H124-C127 PolarHBondContact O-N 3.45Å; H124-F128 PolarHBondContact O-N 3.39Å
125E89.7Confident91.5Very high88 Ų8866.4 Ų66.441%0.41133%0.332SS..G310 helixtrans-53.7-39.7173.4-73.5-173.1160.100111.6R114 M116 C127 F128R114-E125 VanDerWaalsContact CB-CD 3.48Å; R114-E125 HydrophobicContact CB-CG 4.11Å; R114-E125 WeakPolarHBondContact CB-OE1 3.38Å; R114-E125 WeakPolarHBondContact CD-OE1 3.42Å; M116-E125 HydrophobicContact CG-CG 4.13Å; M116-E125 HydrophobicContact SD-CG 4.36Å; E125-C127 VanDerWaalsContact C-N 3.28Å; E125-C127 PolarHBondContact O-N 3.3Å; E125-F128 PolarHBondContact O-N 2.92Å
126T91.8Very high91.7Very high118 Ų11865.6 Ų65.672%0.72434%0.337SS*.G310 helixtrans-72.2-17.1177.454.70000114.2H124 V129H124-T126 PolarHBondContact O-N 3.01Å; T126-V129 WeakPolarHBondContact O-CG1 3.23Å
127C93.3Very high91.7Very high14 Ų1464.2 Ų64.210%0.09533%0.33CS..G310 helixtrans-96.5-14.3174.7-66.20000112.5H104 W123 H124 E125 V129H104-C127 HydrophobicContact CB-CB 3.91Å; W123-C127 HydrophobicContact CE3-CB 4.43Å; H124-C127 HydrophobicContact CB-CB 4.01Å; H124-C127 CarbonylContact O-C 3.55Å; H124-C127 WeakPolarHBondContact O-CA 3.22Å; H124-C127 PolarHBondContact O-N 3.45Å; E125-C127 VanDerWaalsContact C-N 3.28Å; E125-C127 PolarHBondContact O-N 3.3Å; C127-V129 VanDerWaalsContact C-N 3.26Å; C127-V129 PolarHBondContact O-N 2.77Å; C127-V129 VanDerWaalsContact O-N 3.12Å
128F94.3Very high91.5Very high4 Ų459.8 Ų59.82%0.01832%0.317CS..SBendtrans-89.265.3179.1-159.6-109.3000111.1M116 F118 W123 H124 E125 I137 G138 L142M116-F128 HydrophobicContact CB-CB 4.04Å; M116-F128 HydrophobicContact CB-CD1 4.17Å; M116-F128 HydrophobicContact CB-CD2 4.45Å; M116-F128 HydrophobicContact CB-CG 3.96Å; M116-F128 HydrophobicContact CE-CD1 3.98Å; M116-F128 HydrophobicContact CE-CE1 4.19Å; M116-F128 HydrophobicContact CG-CB 3.9Å; M116-F128 HydrophobicContact CG-CD1 4.11Å; M116-F128 HydrophobicContact CG-CG 4.13Å; F118-F128 HydrophobicContact CB-CE2 3.74Å; F118-F128 HydrophobicContact CB-CZ 3.75Å; F118-F128 HydrophobicContact CD1-CE2 4.3Å; F118-F128 HydrophobicContact CD1-CZ 4.38Å; F118-F128 HydrophobicContact CD2-CZ 4.32Å; F118-F128 HydrophobicContact CG-CE2 4.11Å; F118-F128 AromaticContact CG-CZ 3.9Å; F118-F128 HydrophobicContact CG-CZ 3.9Å; W123-F128 HydrophobicContact CB-CB 4.03Å; W123-F128 HydrophobicContact CB-CD2 3.99Å; W123-F128 HydrophobicContact CB-CG 4.41Å; W123-F128 AromaticContact CD1-CD2 3.93Å; W123-F128 AromaticContact CD2-CD2 3.75Å; W123-F128 HydrophobicContact CD2-CD2 3.75Å; W123-F128 HydrophobicContact CD2-CE2 4.39Å; W123-F128 HydrophobicContact CE3-CD2 4.11Å; W123-F128 AromaticContact CG-CD2 3.66Å; W123-F128 HydrophobicContact CG-CD2 3.66Å; W123-F128 HydrophobicContact CG-CE2 4.36Å; H124-F128 PolarHBondContact O-N 3.39Å; E125-F128 PolarHBondContact O-N 2.92Å; F128-I137 HydrophobicContact CD1-CB 4.18Å; F128-I137 HydrophobicContact CE1-CB 4.16Å; F128-I137 HydrophobicContact CE1-CG2 4.13Å; F128-I137 PolarHBondContact O-N 3.08Å; F128-G138 WeakPolarHBondContact CE1-O 3.3Å; F128-L142 HydrophobicContact CE1-CD2 3.85Å; F128-L142 HydrophobicContact CE2-CD2 4.48Å; F128-L142 HydrophobicContact CZ-CD2 3.45Å; F128-L142 VanDerWaalsContact CZ-CD2 3.45Å
129V93.9Very high91.4Very high21 Ų2164 Ų6413%0.12735%0.348CS..BIsolated β-bridgetrans-119.6162.9-172.7-61.30000111.6T126 C127 Q135T126-V129 WeakPolarHBondContact O-CG1 3.23Å; C127-V129 VanDerWaalsContact C-N 3.26Å; C127-V129 PolarHBondContact O-N 2.77Å; C127-V129 VanDerWaalsContact O-N 3.12Å; V129-Q135 CarbonylContact C-O 3.49Å; V129-Q135 VanDerWaalsContact CA-O 3.28Å; V129-Q135 WeakPolarHBondContact CA-O 3.5Å; V129-Q135 WeakPolarHBondContact CB-O 3.3Å
130C93.6Very high91.3Very high0 Ų063.5 Ų63.50%035%0.346CS..  trans-70.8135171176.20000110.9N132 C133 R134 Q135 I137 N149 C151C130-N132 VanDerWaalsContact C-N 3.27Å; C130-N132 PolarHBondContact O-N 3.35Å; C130-N132 PolarHBondContact SG-N 2.93Å; C130-N132 VanDerWaalsContact SG-N 3.43Å; C130-C133 VanDerWaalsContact CB-SG 3.53Å; C130-R134 WeakPolarHBondContact O-CA 3.43Å; C130-R134 PolarHBondContact O-N 3.49Å; C130-Q135 PolarHBondContact N-O 2.86Å; C130-I137 HydrophobicContact CB-CD1 4.33Å; C130-I137 HydrophobicContact CB-CG1 4.27Å; C130-N149 CarbonylContact C-O 3.55Å; C130-N149 WeakPolarHBondContact CA-O 3.18Å; C130-C151 HydrophobicContact CB-CB 4.21Å; C130-C151 PolarHBondContact SG-N 3.14Å
131E92.5Very high91.2Very high55 Ų5565.6 Ų65.626%0.25735%0.349SS..THydrogen-bonded Turntrans-64.6-32.2179.7-164.556.7-13900112.4R134 N149 Y150E131-R134 IonicContact OE1-CZ 3.2Å; E131-R134 IonicContact OE1-NH1 2.94Å; E131-R134 PolarHBondContact OE1-NH1 2.84Å; E131-R134 IonicContact OE1-NH2 2.76Å; E131-R134 PolarHBondContact OE1-NH2 2.9Å; E131-R134 IonicContact OE2-NH1 3.28Å; E131-R134 PolarHBondContact OE2-NH1 2.76Å; E131-N149 PolarHBondContact N-O 2.79Å; E131-Y150 HydrophobicContact CB-CD1 4.41Å; E131-Y150 HydrophobicContact CB-CE1 3.95Å; E131-Y150 HydrophobicContact CB-CE2 4.3Å
132N92.2Very high91.2Very high74 Ų7464.4 Ų64.440%0.39634%0.342SS..THydrogen-bonded Turntrans-80.7-61.1179.9-164.641.9000112.7C130 Y150 C154C130-N132 VanDerWaalsContact C-N 3.27Å; C130-N132 PolarHBondContact O-N 3.35Å; C130-N132 PolarHBondContact SG-N 2.93Å; C130-N132 VanDerWaalsContact SG-N 3.43Å; N132-Y150 HydrophobicContact CB-CD1 4.19Å; N132-Y150 HydrophobicContact CB-CE1 4.28Å; N132-C154 HydrophobicContact CB-CB 3.9Å
133C93.7Very high91Very high49 Ų4963.4 Ų63.433%0.33134%0.341SS..THydrogen-bonded Turntrans-92.9-4.6-173.368.90000114.7C130 Q135C130-C133 VanDerWaalsContact CB-SG 3.53Å; C133-Q135 HydrophobicContact CB-CG 4.41Å; C133-Q135 PolarHBondContact O-N 3.12Å
134R93.1Very high90.8Very high134 Ų13464.3 Ų64.351%0.50635%0.351SS..  trans57.710.2-177.7-57.6-65.7-172.1-169.2-9.5115.4C130 E131C130-R134 WeakPolarHBondContact O-CA 3.43Å; C130-R134 PolarHBondContact O-N 3.49Å; E131-R134 IonicContact OE1-CZ 3.2Å; E131-R134 IonicContact OE1-NH1 2.94Å; E131-R134 PolarHBondContact OE1-NH1 2.84Å; E131-R134 IonicContact OE1-NH2 2.76Å; E131-R134 PolarHBondContact OE1-NH2 2.9Å; E131-R134 IonicContact OE2-NH1 3.28Å; E131-R134 PolarHBondContact OE2-NH1 2.76Å
135Q92.7Very high90.5Very high126 Ų12668.1 Ų68.159%0.58937%0.367SS*.  trans-76.3145.2176.9-66.9-61.8-39.300111.4V129 C130 C133 I137V129-Q135 CarbonylContact C-O 3.49Å; V129-Q135 VanDerWaalsContact CA-O 3.28Å; V129-Q135 WeakPolarHBondContact CA-O 3.5Å; V129-Q135 WeakPolarHBondContact CB-O 3.3Å; C130-Q135 PolarHBondContact N-O 2.86Å; C133-Q135 HydrophobicContact CB-CG 4.41Å; C133-Q135 PolarHBondContact O-N 3.12Å; Q135-I137 PolarHBondContact O-N 3.06Å
136P91.6Very high90.1Very high77 Ų7774 Ų7450%0.540%0.395SS..BIsolated β-bridgetrans-57.9127.8173.3-21.932.5000111.5
137I92.1Very high89.7Confident5 Ų571.9 Ų71.93%0.02638%0.384CS..  trans-80.1-40.9177.3-65174.8000109.8F128 C130 Q135 T139 K140 L142 N149F128-I137 HydrophobicContact CD1-CB 4.18Å; F128-I137 HydrophobicContact CE1-CB 4.16Å; F128-I137 HydrophobicContact CE1-CG2 4.13Å; F128-I137 PolarHBondContact O-N 3.08Å; C130-I137 HydrophobicContact CB-CD1 4.33Å; C130-I137 HydrophobicContact CB-CG1 4.27Å; Q135-I137 PolarHBondContact O-N 3.06Å; I137-T139 PolarHBondContact O-N 3.34Å; I137-K140 HydrophobicContact CG2-CB 4.43Å; I137-K140 VanDerWaalsContact O-CB 3.23Å; I137-K140 WeakPolarHBondContact O-CB 3.49Å; I137-K140 VanDerWaalsContact O-CG 3.3Å; I137-K140 WeakPolarHBondContact O-CG 3.39Å; I137-K140 PolarHBondContact O-N 3.19Å; I137-K140 VanDerWaalsContact O-N 3.08Å; I137-L142 HydrophobicContact CD1-CB 4.19Å; I137-L142 HydrophobicContact CG2-CB 3.71Å; I137-L142 HydrophobicContact CG2-CD2 3.81Å; I137-L142 HydrophobicContact CG2-CG 4.42Å; I137-N149 HydrophobicContact CD1-CB 3.86Å
138G87.3Confident89.3Confident30 Ų3072.1 Ų72.131%0.30939%0.389SS..THydrogen-bonded Turntrans59-127.1-177.500000111.3M116 F128M116-G138 VanDerWaalsContact CE-O 3.26Å; M116-G138 WeakPolarHBondContact CE-O 3.05Å; F128-G138 WeakPolarHBondContact CE1-O 3.3Å
139T85.6Confident89.2Confident145 Ų14572.5 Ų72.589%0.8939%0.392SS*.THydrogen-bonded Turntrans-92.34177.154.90000113.6I137I137-T139 PolarHBondContact O-N 3.34Å
140K86.2Confident89.1Confident143 Ų14372.4 Ų72.462%0.62239%0.389SS*.SBendtrans-68.4151.5-178.3-62.8173.9-177.5172.90110.7I137 L142I137-K140 HydrophobicContact CG2-CB 4.43Å; I137-K140 VanDerWaalsContact O-CB 3.23Å; I137-K140 WeakPolarHBondContact O-CB 3.49Å; I137-K140 VanDerWaalsContact O-CG 3.3Å; I137-K140 WeakPolarHBondContact O-CG 3.39Å; I137-K140 PolarHBondContact O-N 3.19Å; I137-K140 VanDerWaalsContact O-N 3.08Å; K140-L142 PolarHBondContact O-N 2.71Å
141P86.2Confident89Confident102 Ų10273.6 Ų73.666%0.66240%0.397SS*.  trans-51.8136.3171-25.834.6000111.5V152P141-V152 HydrophobicContact CB-CG2 3.85Å
142L89.5Confident88.8Confident34 Ų3472.9 Ų72.918%0.17840%0.397CS..EExtended strand (participates in β ladder)trans-141.4154.8-17779.892.6000111.1F118 F128 I137 K140 S144 N149 Y150F118-L142 HydrophobicContact CD2-CD2 4.13Å; F118-L142 HydrophobicContact CE1-CD1 3.91Å; F118-L142 HydrophobicContact CE1-CD2 4.49Å; F118-L142 HydrophobicContact CE2-CD1 4.28Å; F118-L142 HydrophobicContact CE2-CD2 3.87Å; F118-L142 HydrophobicContact CE2-CG 4.2Å; F118-L142 HydrophobicContact CZ-CD1 3.64Å; F118-L142 HydrophobicContact CZ-CD2 4.06Å; F118-L142 HydrophobicContact CZ-CG 4.06Å; F128-L142 HydrophobicContact CE1-CD2 3.85Å; F128-L142 HydrophobicContact CE2-CD2 4.48Å; F128-L142 HydrophobicContact CZ-CD2 3.45Å; F128-L142 VanDerWaalsContact CZ-CD2 3.45Å; I137-L142 HydrophobicContact CD1-CB 4.19Å; I137-L142 HydrophobicContact CG2-CB 3.71Å; I137-L142 HydrophobicContact CG2-CD2 3.81Å; I137-L142 HydrophobicContact CG2-CG 4.42Å; K140-L142 PolarHBondContact O-N 2.71Å; L142-S144 VanDerWaalsContact CD1-OG 3.3Å; L142-S144 WeakPolarHBondContact CD1-OG 3.41Å; L142-N149 HydrophobicContact CD1-CB 4.18Å; L142-Y150 WeakPolarHBondContact CA-O 3.34Å
143I87.7Confident88.7Confident52 Ų5273.6 Ų73.627%0.26741%0.405SS..EExtended strand (participates in β ladder)trans-119.5119178.2-61169000107.5Y150 V152 F155I143-Y150 PolarHBondContact N-O 2.82Å; I143-Y150 PolarHBondContact O-N 3.06Å; I143-V152 HydrophobicContact CD1-CG2 4.32Å; I143-V152 HydrophobicContact CG1-CG2 4.47Å; I143-F155 HydrophobicContact CB-CB 4.42Å; I143-F155 HydrophobicContact CB-CD1 4.48Å; I143-F155 HydrophobicContact CB-CD2 4.02Å; I143-F155 HydrophobicContact CB-CE2 4.45Å; I143-F155 HydrophobicContact CB-CG 4.03Å; I143-F155 HydrophobicContact CD1-CB 3.81Å; I143-F155 HydrophobicContact CD1-CD1 3.27Å; I143-F155 HydrophobicContact CD1-CD2 4.32Å; I143-F155 HydrophobicContact CD1-CE1 3.9Å; I143-F155 HydrophobicContact CD1-CG 3.51Å; I143-F155 HydrophobicContact CG1-CD1 4.43Å; I143-F155 HydrophobicContact CG1-CG 4.35Å; I143-F155 HydrophobicContact CG2-CD1 4.26Å; I143-F155 HydrophobicContact CG2-CD2 3.67Å; I143-F155 HydrophobicContact CG2-CE1 4.18Å; I143-F155 HydrophobicContact CG2-CE2 3.61Å; I143-F155 HydrophobicContact CG2-CG 4Å; I143-F155 HydrophobicContact CG2-CZ 3.87Å
144S88.2Confident88.6Confident42 Ų4272.1 Ų72.129%0.29440%0.395SS..EExtended strand (participates in β ladder)trans-93.2129.9177.1-55.40000110.5F118 L142 N149F118-S144 VanDerWaalsContact CE1-OG 3.28Å; F118-S144 WeakPolarHBondContact CE1-OG 3.3Å; L142-S144 VanDerWaalsContact CD1-OG 3.3Å; L142-S144 WeakPolarHBondContact CD1-OG 3.41Å; S144-N149 WeakPolarHBondContact CB-OD1 3.46Å; S144-N149 PolarHBondContact OG-OD1 3.12Å
145K84.6Confident88.4Confident117 Ų11767.3 Ų67.351%0.50938%0.378SS..EExtended strand (participates in β ladder)trans-119171.6168.8-73.1-74.5-171.7172.20109.3S147 G148 Y150 F155K145-S147 PolarHBondContact O-N 3.11Å; K145-G148 PolarHBondContact N-O 3.48Å; K145-G148 PolarHBondContact O-N 3.27Å; K145-G148 VanDerWaalsContact O-N 3.11Å; K145-Y150 HydrophobicContact CB-CD2 4.49Å; K145-Y150 HydrophobicContact CB-CE2 4.14Å; K145-Y150 HydrophobicContact CG-CE2 4.46Å; K145-F155 HydrophobicContact CD-CE2 4.35Å; K145-F155 VanDerWaalsContact CE-CE2 3.46Å; K145-F155 HydrophobicContact CG-CE2 3.95Å
146E81.4Confident88Confident212 Ų21264.8 Ų64.899%0.99137%0.366SS*.THydrogen-bonded Turntrans-57.8-33173.4-64-178.6177.500112.1G148E146-G148 VanDerWaalsContact C-N 3.33Å; E146-G148 PolarHBondContact O-N 3.17Å
147S83Confident87.7Confident73 Ų7368.7 Ų68.751%0.5138%0.375SS..THydrogen-bonded Turntrans-76.1-13.5178.256.90000114.7K145 Y150K145-S147 PolarHBondContact O-N 3.11Å; S147-Y150 WeakPolarHBondContact OG-CE2 3.28Å; S147-Y150 PolarHBondContact OG-OH 2.88Å
148G86.6Confident87.2Confident19 Ų1973.1 Ų73.120%0.19640%0.396CS..EExtended strand (participates in β ladder)trans141.6-170-178.200000114.5K145 E146K145-G148 PolarHBondContact N-O 3.48Å; K145-G148 PolarHBondContact O-N 3.27Å; K145-G148 VanDerWaalsContact O-N 3.11Å; E146-G148 VanDerWaalsContact C-N 3.33Å; E146-G148 PolarHBondContact O-N 3.17Å
149N90.8Very high86.8Confident12 Ų1276.1 Ų76.16%0.06440%0.4CS..EExtended strand (participates in β ladder)trans-97.2135.9179-66.3-44.2000110.4C130 E131 I137 L142 S144C130-N149 CarbonylContact C-O 3.55Å; C130-N149 WeakPolarHBondContact CA-O 3.18Å; E131-N149 PolarHBondContact N-O 2.79Å; I137-N149 HydrophobicContact CD1-CB 3.86Å; L142-N149 HydrophobicContact CD1-CB 4.18Å; S144-N149 WeakPolarHBondContact CB-OD1 3.46Å; S144-N149 PolarHBondContact OG-OD1 3.12Å
150Y91.8Very high86.5Confident20 Ų2070 Ų708%0.07837%0.365CS..EExtended strand (participates in β ladder)trans-120.7139.5178.5-63.6-98.8000109.9E131 N132 L142 I143 K145 S147 F155 F159E131-Y150 HydrophobicContact CB-CD1 4.41Å; E131-Y150 HydrophobicContact CB-CE1 3.95Å; E131-Y150 HydrophobicContact CB-CE2 4.3Å; N132-Y150 HydrophobicContact CB-CD1 4.19Å; N132-Y150 HydrophobicContact CB-CE1 4.28Å; L142-Y150 WeakPolarHBondContact CA-O 3.34Å; I143-Y150 PolarHBondContact N-O 2.82Å; I143-Y150 PolarHBondContact O-N 3.06Å; K145-Y150 HydrophobicContact CB-CD2 4.49Å; K145-Y150 HydrophobicContact CB-CE2 4.14Å; K145-Y150 HydrophobicContact CG-CE2 4.46Å; S147-Y150 WeakPolarHBondContact OG-CE2 3.28Å; S147-Y150 PolarHBondContact OG-OH 2.88Å; Y150-F155 HydrophobicContact CG-CD2 4.32Å; Y150-F159 HydrophobicContact CD1-CE2 4Å; Y150-F159 AromaticContact CE1-CE2 3.73Å; Y150-F159 HydrophobicContact CE1-CE2 3.73Å; Y150-F159 HydrophobicContact CE1-CZ 4.16Å
151C92.6Very high86.4Confident24 Ų2468.7 Ų68.716%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-70.4149.6164.5690000109.1C130 C154 F155C130-C151 HydrophobicContact CB-CB 4.21Å; C130-C151 PolarHBondContact SG-N 3.14Å; C151-C154 PolarHBondContact O-N 3.24Å; C151-C154 VanDerWaalsContact O-N 3.15Å; C151-C154 VanDerWaalsContact SG-CB 3.53Å; C151-F155 PolarHBondContact O-N 3.39Å
152V89.1Confident86.3Confident41 Ų4169.7 Ų69.725%0.24835%0.352CS..Hα-helixtrans-51.1-47.3-177.2174.70000112.7P141 I143 C154 F155 E156P141-V152 HydrophobicContact CB-CG2 3.85Å; I143-V152 HydrophobicContact CD1-CG2 4.32Å; I143-V152 HydrophobicContact CG1-CG2 4.47Å; V152-C154 PolarHBondContact O-N 2.9Å; V152-F155 PolarHBondContact O-N 3.26Å; V152-E156 HydrophobicContact CG1-CG 4.15Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.47Å; V152-E156 WeakPolarHBondContact O-CB 3.43Å; V152-E156 WeakPolarHBondContact O-CG 3.28Å; V152-E156 PolarHBondContact O-N 2.82Å
153P89.8Confident86.3Confident89 Ų8968.1 Ų68.158%0.57834%0.344SS*.Hα-helixtrans-63.2-39.4-179.1-23.534.4000113.9K157P153-K157 VanDerWaalsContact O-CB 3.29Å; P153-K157 WeakPolarHBondContact O-CB 3.22Å; P153-K157 PolarHBondContact O-N 3.43Å
154C91.1Very high86.3Confident17 Ų1767.7 Ų67.712%0.11534%0.342CS..Hα-helixtrans-71-36.9176.7-75.60000111.5N132 C151 V152 K157 E158N132-C154 HydrophobicContact CB-CB 3.9Å; C151-C154 PolarHBondContact O-N 3.24Å; C151-C154 VanDerWaalsContact O-N 3.15Å; C151-C154 VanDerWaalsContact SG-CB 3.53Å; V152-C154 PolarHBondContact O-N 2.9Å; C154-K157 PolarHBondContact O-N 2.92Å; C154-E158 WeakPolarHBondContact O-CB 3.45Å; C154-E158 VanDerWaalsContact O-CG 3.27Å; C154-E158 WeakPolarHBondContact O-CG 3.46Å; C154-E158 PolarHBondContact O-N 3.46Å
155F88.4Confident86.3Confident34 Ų3470.5 Ų70.515%0.14935%0.349CS..Hα-helixtrans-64.5-45.6176-173.5-91.6000111.4I143 K145 Y150 C151 V152 K157 E158 F159I143-F155 HydrophobicContact CB-CB 4.42Å; I143-F155 HydrophobicContact CB-CD1 4.48Å; I143-F155 HydrophobicContact CB-CD2 4.02Å; I143-F155 HydrophobicContact CB-CE2 4.45Å; I143-F155 HydrophobicContact CB-CG 4.03Å; I143-F155 HydrophobicContact CD1-CB 3.81Å; I143-F155 HydrophobicContact CD1-CD1 3.27Å; I143-F155 HydrophobicContact CD1-CD2 4.32Å; I143-F155 HydrophobicContact CD1-CE1 3.9Å; I143-F155 HydrophobicContact CD1-CG 3.51Å; I143-F155 HydrophobicContact CG1-CD1 4.43Å; I143-F155 HydrophobicContact CG1-CG 4.35Å; I143-F155 HydrophobicContact CG2-CD1 4.26Å; I143-F155 HydrophobicContact CG2-CD2 3.67Å; I143-F155 HydrophobicContact CG2-CE1 4.18Å; I143-F155 HydrophobicContact CG2-CE2 3.61Å; I143-F155 HydrophobicContact CG2-CG 4Å; I143-F155 HydrophobicContact CG2-CZ 3.87Å; K145-F155 HydrophobicContact CD-CE2 4.35Å; K145-F155 VanDerWaalsContact CE-CE2 3.46Å; K145-F155 HydrophobicContact CG-CE2 3.95Å; Y150-F155 HydrophobicContact CG-CD2 4.32Å; C151-F155 PolarHBondContact O-N 3.39Å; V152-F155 PolarHBondContact O-N 3.26Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.28Å; F155-E158 PolarHBondContact O-N 2.76Å; F155-F159 HydrophobicContact CD2-CB 4.48Å; F155-F159 AromaticContact CD2-CD2 3.52Å; F155-F159 HydrophobicContact CD2-CD2 3.52Å; F155-F159 HydrophobicContact CD2-CE2 4.16Å; F155-F159 HydrophobicContact CD2-CG 4.36Å; F155-F159 HydrophobicContact CE1-CB 4.26Å; F155-F159 HydrophobicContact CE2-CB 4.13Å; F155-F159 AromaticContact CE2-CD2 3.68Å; F155-F159 HydrophobicContact CE2-CD2 3.68Å; F155-F159 HydrophobicContact CE2-CE2 4.42Å; F155-F159 HydrophobicContact CE2-CG 4.12Å; F155-F159 HydrophobicContact CG-CD2 4.12Å; F155-F159 HydrophobicContact CZ-CB 4.02Å; F155-F159 HydrophobicContact CZ-CD2 4.41Å; F155-F159 HydrophobicContact CZ-CG 4.5Å; F155-F159 WeakPolarHBondContact O-CA 3.45Å; F155-F159 WeakPolarHBondContact O-CB 3.19Å; F155-F159 PolarHBondContact O-N 2.94Å
156E85.4Confident86.6Confident72 Ų7267 Ų6734%0.33634%0.339SS..Hα-helixtrans-64.1-39.5177.4-71.4174.7162.500111.7V152 A160 Y162V152-E156 HydrophobicContact CG1-CG 4.15Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.47Å; V152-E156 WeakPolarHBondContact O-CB 3.43Å; V152-E156 WeakPolarHBondContact O-CG 3.28Å; V152-E156 PolarHBondContact O-N 2.82Å; E156-A160 HydrophobicContact CB-CB 4.25Å; E156-A160 WeakPolarHBondContact O-CB 3.19Å; E156-A160 PolarHBondContact O-N 2.76Å; E156-A160 VanDerWaalsContact O-N 3.09Å; E156-Y162 PolarHBondContact O-OH 3.3Å
157K84.6Confident86.9Confident160 Ų16063.2 Ų63.270%0.69632%0.319SS*.Hα-helixtrans-64.7-43.3177.6-172.5-176.7176.7-169.20113P153 C154 F155P153-K157 VanDerWaalsContact O-CB 3.29Å; P153-K157 WeakPolarHBondContact O-CB 3.22Å; P153-K157 PolarHBondContact O-N 3.43Å; C154-K157 PolarHBondContact O-N 2.92Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.28Å
158E81.6Confident87Confident97 Ų9766.8 Ų66.845%0.45333%0.326SS..Hα-helixtrans-88.5-28.3-172.8-62.8-62.3142.100113.1C154 F155C154-E158 WeakPolarHBondContact O-CB 3.45Å; C154-E158 VanDerWaalsContact O-CG 3.27Å; C154-E158 WeakPolarHBondContact O-CG 3.46Å; C154-E158 PolarHBondContact O-N 3.46Å; F155-E158 PolarHBondContact O-N 2.76Å
159F78.8Confident86.9Confident93 Ų9367.5 Ų67.541%0.40833%0.326SS..Hα-helixtrans-133.2-4.2-168.2-50.5-72.9000115Y150 F155 H161Y150-F159 HydrophobicContact CD1-CE2 4Å; Y150-F159 AromaticContact CE1-CE2 3.73Å; Y150-F159 HydrophobicContact CE1-CE2 3.73Å; Y150-F159 HydrophobicContact CE1-CZ 4.16Å; F155-F159 HydrophobicContact CD2-CB 4.48Å; F155-F159 AromaticContact CD2-CD2 3.52Å; F155-F159 HydrophobicContact CD2-CD2 3.52Å; F155-F159 HydrophobicContact CD2-CE2 4.16Å; F155-F159 HydrophobicContact CD2-CG 4.36Å; F155-F159 HydrophobicContact CE1-CB 4.26Å; F155-F159 HydrophobicContact CE2-CB 4.13Å; F155-F159 AromaticContact CE2-CD2 3.68Å; F155-F159 HydrophobicContact CE2-CD2 3.68Å; F155-F159 HydrophobicContact CE2-CE2 4.42Å; F155-F159 HydrophobicContact CE2-CG 4.12Å; F155-F159 HydrophobicContact CG-CD2 4.12Å; F155-F159 HydrophobicContact CZ-CB 4.02Å; F155-F159 HydrophobicContact CZ-CD2 4.41Å; F155-F159 HydrophobicContact CZ-CG 4.5Å; F155-F159 WeakPolarHBondContact O-CA 3.45Å; F155-F159 WeakPolarHBondContact O-CB 3.19Å; F155-F159 PolarHBondContact O-N 2.94Å; F159-H161 PolarHBondContact O-N 2.87Å
160A79.1Confident86.5Confident18 Ų1867.9 Ų67.915%0.14933%0.328CS..PPolyproline II helixtrans-69.4130.5177.300000110.7E156 Y162 V169E156-A160 HydrophobicContact CB-CB 4.25Å; E156-A160 WeakPolarHBondContact O-CB 3.19Å; E156-A160 PolarHBondContact O-N 2.76Å; E156-A160 VanDerWaalsContact O-N 3.09Å; A160-Y162 HydrophobicContact CB-CD2 4.35Å; A160-Y162 HydrophobicContact CB-CE1 4.39Å; A160-Y162 HydrophobicContact CB-CE2 3.71Å; A160-Y162 WeakPolarHBondContact O-CD2 3.45Å; A160-Y162 WeakPolarHBondContact O-CE2 3.47Å; A160-V169 HydrophobicContact CB-CB 3.96Å; A160-V169 HydrophobicContact CB-CG2 3.39Å
161H83.5Confident85.7Confident115 Ų11572.6 Ų72.653%0.53236%0.359SS..EExtended strand (participates in β ladder)trans-87.7134.8158-61.892.4000108.2F159 V169 I170 L181F159-H161 PolarHBondContact O-N 2.87Å; H161-V169 CarbonylContact O-C 3.52Å; H161-V169 WeakPolarHBondContact O-CA 3.32Å; H161-I170 PolarHBondContact O-N 3.15Å; H161-L181 HydrophobicContact CB-CD1 3.48Å; H161-L181 VanDerWaalsContact CB-CD1 3.48Å; H161-L181 WeakPolarHBondContact CD2-CD1 3.26Å; H161-L181 VanDerWaalsContact CG-CD1 3.5Å
162Y85.6Confident84.7Confident123 Ų12376 Ų7648%0.48238%0.383SS..EExtended strand (participates in β ladder)trans-102.9134.6-177.9-65.4-93.1000109.9E156 A160 N164E156-Y162 PolarHBondContact O-OH 3.3Å; A160-Y162 HydrophobicContact CB-CD2 4.35Å; A160-Y162 HydrophobicContact CB-CE1 4.39Å; A160-Y162 HydrophobicContact CB-CE2 3.71Å; A160-Y162 WeakPolarHBondContact O-CD2 3.45Å; A160-Y162 WeakPolarHBondContact O-CE2 3.47Å; Y162-N164 PolarHBondContact O-N 2.85Å
163C88.4Confident84.1Confident1 Ų176.8 Ų76.81%0.00740%0.399CS..PPolyproline II helixtrans-64.6127.7173.3175.40000110.1F165 C166 K167 K168 I170 L181 H183C163-F165 PolarHBondContact O-N 3.36Å; C163-C166 VanDerWaalsContact CB-SG 3.55Å; C163-C166 VanDerWaalsContact SG-SG 3.63Å; C163-K167 WeakPolarHBondContact O-CA 3.41Å; C163-K167 PolarHBondContact O-N 2.85Å; C163-K168 WeakPolarHBondContact CB-O 3.5Å; C163-K168 PolarHBondContact N-O 2.91Å; C163-I170 HydrophobicContact CB-CD1 4.02Å; C163-I170 HydrophobicContact CB-CG1 3.95Å; C163-L181 CarbonylContact C-O 3.5Å; C163-L181 VanDerWaalsContact CA-O 3.26Å; C163-L181 WeakPolarHBondContact CA-O 3.2Å; C163-H183 VanDerWaalsContact CB-CE1 3.45Å; C163-H183 WeakPolarHBondContact CB-CE1 3.38Å; C163-H183 WeakPolarHBondContact CB-ND1 3.15Å; C163-H183 PolarHBondContact SG-N 3.31Å; C163-H183 VanDerWaalsContact SG-N 3.39Å; C163-H183 PolarHBondContact SG-ND1 3.43Å; C163-H183 VanDerWaalsContact SG-ND1 3.43Å
164N88.6Confident83.8Confident43 Ų4374.1 Ų74.123%0.2339%0.388CS..THydrogen-bonded Turntrans-63.7-32.4-178.2-17658.6000112.4Y162 K167 Q180 L181 W182Y162-N164 PolarHBondContact O-N 2.85Å; N164-K167 WeakPolarHBondContact O-CE 3.38Å; N164-K167 PolarHBondContact O-NZ 3.43Å; N164-K167 PolarHBondContact OD1-NZ 3.48Å; N164-K167 VanDerWaalsContact OD1-NZ 3.15Å; N164-Q180 HydrophobicContact CB-CB 4.01Å; N164-Q180 PolarHBondContact ND2-OE1 2.83Å; N164-L181 PolarHBondContact N-O 2.85Å; N164-W182 HydrophobicContact CB-CD2 4.19Å; N164-W182 HydrophobicContact CB-CZ2 3.94Å; N164-W182 WeakPolarHBondContact ND2-CZ2 3.42Å
165F88.1Confident83.7Confident101 Ų10174.8 Ų74.844%0.44339%0.39SS..THydrogen-bonded Turntrans-75.4-63.8177.9-172.5-111000113.1C163 W182 C186C163-F165 PolarHBondContact O-N 3.36Å; F165-W182 HydrophobicContact CB-CE3 3.62Å; F165-W182 HydrophobicContact CB-CH2 4.46Å; F165-W182 HydrophobicContact CB-CZ3 3.53Å; F165-W182 HydrophobicContact CD2-CZ3 4.06Å; F165-W182 HydrophobicContact CG-CZ3 4.15Å; F165-C186 HydrophobicContact CB-CB 3.93Å; F165-C186 HydrophobicContact CD1-CB 3.95Å; F165-C186 HydrophobicContact CG-CB 4.29Å
166C90Very high83.7Confident43 Ų4377.7 Ų77.729%0.29141%0.411SS..THydrogen-bonded Turntrans-92-5.9-169.473.60000113.6C163 K168 H183C163-C166 VanDerWaalsContact CB-SG 3.55Å; C163-C166 VanDerWaalsContact SG-SG 3.63Å; C166-K168 PolarHBondContact O-N 3.17Å; C166-H183 VanDerWaalsContact SG-CE1 3.51Å; C166-H183 PolarHBondContact SG-ND1 3.44Å
167K88.1Confident83.8Confident132 Ų13275.3 Ų75.357%0.57440%0.399SS*.  trans57.415.6-176.8-51.7-55.3-172.5-167.20114.8C163 N164C163-K167 WeakPolarHBondContact O-CA 3.41Å; C163-K167 PolarHBondContact O-N 2.85Å; N164-K167 WeakPolarHBondContact O-CE 3.38Å; N164-K167 PolarHBondContact O-NZ 3.43Å; N164-K167 PolarHBondContact OD1-NZ 3.48Å; N164-K167 VanDerWaalsContact OD1-NZ 3.15Å
168K86Confident83.8Confident149 Ų14970.3 Ų70.365%0.64838%0.384SS*.  trans-90.8155.8172.8-60.1178.8-178.4177.10111C163 C166C163-K168 WeakPolarHBondContact CB-O 3.5Å; C163-K168 PolarHBondContact N-O 2.91Å; C166-K168 PolarHBondContact O-N 3.17Å
169V83Confident84Confident34 Ų3473.4 Ų73.421%0.20640%0.404CS..EExtended strand (participates in β ladder)trans-60.8138176.655.50000112.1A160 H161 T171 H183A160-V169 HydrophobicContact CB-CB 3.96Å; A160-V169 HydrophobicContact CB-CG2 3.39Å; H161-V169 CarbonylContact O-C 3.52Å; H161-V169 WeakPolarHBondContact O-CA 3.32Å; V169-T171 HydrophobicContact CG1-CG2 4.1Å; V169-T171 HydrophobicContact CG2-CG2 4.14Å; V169-H183 PolarHBondContact O-CE1 3.3Å; V169-H183 PolarHBondContact O-NE2 3.08Å
170I84Confident84.4Confident19 Ų1972.5 Ų72.510%0.09740%0.401CS..EExtended strand (participates in β ladder)trans-92.9102.5169.7-61.3167.5000107.2H161 C163 L181H161-I170 PolarHBondContact O-N 3.15Å; C163-I170 HydrophobicContact CB-CD1 4.02Å; C163-I170 HydrophobicContact CB-CG1 3.95Å; I170-L181 HydrophobicContact CD1-CB 3.53Å
171T74.1Confident84.9Confident119 Ų11973.9 Ų73.973%0.7341%0.405SS*.  trans-82.9-24.7-176.449.60000113.2V169V169-T171 HydrophobicContact CG1-CG2 4.1Å; V169-T171 HydrophobicContact CG2-CG2 4.14Å
172S72.5Confident85.2Confident96 Ų9668.9 Ų68.967%0.67138%0.382SS*.SBendtrans-166.2142175.855.90000111.6
173G74.7Confident85.4Confident57 Ų5764.5 Ų64.559%0.58837%0.366SS*.  trans61.658164.100000115.9K184G173-K184 WeakPolarHBondContact O-CE 2.93Å; G173-K184 WeakPolarHBondContact O-CG 3.49Å
174G85.3Confident85.4Confident33 Ų3369.4 Ų69.434%0.3439%0.387SS..  trans-89.5173.717300000114W182G174-W182 CarbonylContact C-O 3.55Å; G174-W182 VanDerWaalsContact CA-O 3.22Å; G174-W182 WeakPolarHBondContact CA-O 3.1Å
175I87.4Confident85.5Confident32 Ų3274.6 Ų74.616%0.16441%0.41CS..EExtended strand (participates in β ladder)trans-105.1134.9172.2-59.1176000108.1L181 W182 K184 F187 C197I175-L181 CarbonylContact O-C 3.55Å; I175-L181 WeakPolarHBondContact O-CA 3.29Å; I175-W182 PolarHBondContact N-O 2.79Å; I175-W182 PolarHBondContact O-N 3.43Å; I175-K184 HydrophobicContact CD1-CB 4.37Å; I175-K184 HydrophobicContact CD1-CG 4.17Å; I175-K184 HydrophobicContact CG1-CG 3.98Å; I175-F187 HydrophobicContact CD1-CB 3.7Å; I175-F187 HydrophobicContact CD1-CD1 3.88Å; I175-F187 HydrophobicContact CD1-CG 3.88Å; I175-F187 HydrophobicContact CG2-CD2 4.43Å; I175-F187 HydrophobicContact CG2-CG 4.41Å; I175-C197 HydrophobicContact CD1-CB 3.94Å
176T89.4Confident85.6Confident95 Ų9570.8 Ų70.858%0.58340%0.395SS*.EExtended strand (participates in β ladder)trans-98.2123.2169.5-49.30000108.9Q180 L181T176-Q180 WeakPolarHBondContact CA-O 3.25Å; T176-L181 HydrophobicContact CG2-CD2 4.35Å; T176-L181 WeakPolarHBondContact OG1-CD2 3.26Å
177F87.1Confident85.6Confident21 Ų2168.8 Ų68.89%0.09238%0.382CS..EExtended strand (participates in β ladder)trans-139.5126.2175.6173.9-108.6000109.1D179 Q180 F187 F201 D206 P208F177-D179 VanDerWaalsContact C-N 3.29Å; F177-D179 PolarHBondContact O-N 2.88Å; F177-Q180 PolarHBondContact N-O 3.34Å; F177-Q180 WeakPolarHBondContact O-CA 3.24Å; F177-Q180 WeakPolarHBondContact O-CB 3.39Å; F177-Q180 PolarHBondContact O-N 3.06Å; F177-Q180 VanDerWaalsContact O-O 3.1Å; F177-F187 HydrophobicContact CB-CE2 3.62Å; F177-F187 HydrophobicContact CB-CZ 4.14Å; F177-F187 AromaticContact CD1-CE2 3.89Å; F177-F187 HydrophobicContact CD1-CE2 3.89Å; F177-F187 HydrophobicContact CD1-CZ 4.46Å; F177-F187 HydrophobicContact CD2-CE2 4.36Å; F177-F187 HydrophobicContact CD2-CZ 4.22Å; F177-F187 AromaticContact CG-CE2 3.69Å; F177-F187 HydrophobicContact CG-CE2 3.69Å; F177-F187 HydrophobicContact CG-CZ 4.01Å; F177-F201 HydrophobicContact CD2-CE2 4.01Å; F177-F201 HydrophobicContact CD2-CZ 4.32Å; F177-F201 AromaticContact CE2-CE2 3.77Å; F177-F201 HydrophobicContact CE2-CE2 3.77Å; F177-F201 HydrophobicContact CE2-CZ 4.49Å; F177-D206 WeakPolarHBondContact CE1-O 3.36Å; F177-P208 HydrophobicContact CE1-CB 4.42Å
178C85.8Confident85.8Confident56 Ų5664 Ų6438%0.37836%0.362SS..THydrogen-bonded Turntrans47.348.3-173.8-64.90000113.2Q180 D206C178-Q180 PolarHBondContact O-N 2.97Å; C178-D206 PolarHBondContact SG-OD1 2.92Å; C178-D206 VanDerWaalsContact SG-OD1 3.39Å
179D84.2Confident86Confident162 Ų16257.1 Ų57.187%0.86633%0.333SS*.THydrogen-bonded Turntrans57.48.4-175.6-60-39.8000115.7F177F177-D179 VanDerWaalsContact C-N 3.29Å; F177-D179 PolarHBondContact O-N 2.88Å
180Q87.3Confident86.2Confident73 Ų7357.9 Ų57.934%0.34134%0.34SS..EExtended strand (participates in β ladder)trans-101.7141.4173.9-65.7178.5-5.800109.9N164 T176 F177 C178 W182N164-Q180 HydrophobicContact CB-CB 4.01Å; N164-Q180 PolarHBondContact ND2-OE1 2.83Å; T176-Q180 WeakPolarHBondContact CA-O 3.25Å; F177-Q180 PolarHBondContact N-O 3.34Å; F177-Q180 WeakPolarHBondContact O-CA 3.24Å; F177-Q180 WeakPolarHBondContact O-CB 3.39Å; F177-Q180 PolarHBondContact O-N 3.06Å; F177-Q180 VanDerWaalsContact O-O 3.1Å; C178-Q180 PolarHBondContact O-N 2.97Å; Q180-W182 VanDerWaalsContact O-CD1 3.3Å
181L89.3Confident86.4Confident47 Ų4759.9 Ų59.925%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-97.8139.8179.8-70162.3000110H161 C163 N164 I170 I175 T176H161-L181 HydrophobicContact CB-CD1 3.48Å; H161-L181 VanDerWaalsContact CB-CD1 3.48Å; H161-L181 WeakPolarHBondContact CD2-CD1 3.26Å; H161-L181 VanDerWaalsContact CG-CD1 3.5Å; C163-L181 CarbonylContact C-O 3.5Å; C163-L181 VanDerWaalsContact CA-O 3.26Å; C163-L181 WeakPolarHBondContact CA-O 3.2Å; N164-L181 PolarHBondContact N-O 2.85Å; I170-L181 HydrophobicContact CD1-CB 3.53Å; I175-L181 CarbonylContact O-C 3.55Å; I175-L181 WeakPolarHBondContact O-CA 3.29Å; T176-L181 HydrophobicContact CG2-CD2 4.35Å; T176-L181 WeakPolarHBondContact OG1-CD2 3.26Å
182W90.5Very high87.2Confident11 Ų1157.8 Ų57.84%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-132.5146.6-178.5-6069.8000108.9N164 F165 G174 I175 Q180 F187N164-W182 HydrophobicContact CB-CD2 4.19Å; N164-W182 HydrophobicContact CB-CZ2 3.94Å; N164-W182 WeakPolarHBondContact ND2-CZ2 3.42Å; F165-W182 HydrophobicContact CB-CE3 3.62Å; F165-W182 HydrophobicContact CB-CH2 4.46Å; F165-W182 HydrophobicContact CB-CZ3 3.53Å; F165-W182 HydrophobicContact CD2-CZ3 4.06Å; F165-W182 HydrophobicContact CG-CZ3 4.15Å; G174-W182 CarbonylContact C-O 3.55Å; G174-W182 VanDerWaalsContact CA-O 3.22Å; G174-W182 WeakPolarHBondContact CA-O 3.1Å; I175-W182 PolarHBondContact N-O 2.79Å; I175-W182 PolarHBondContact O-N 3.43Å; Q180-W182 VanDerWaalsContact O-CD1 3.3Å; W182-F187 HydrophobicContact CB-CB 4.43Å; W182-F187 HydrophobicContact CB-CD2 4.26Å; W182-F187 HydrophobicContact CD2-CD2 4.16Å; W182-F187 HydrophobicContact CE3-CD2 4.38Å; W182-F187 HydrophobicContact CG-CD2 4.08Å
183H90.2Very high87.9Confident30 Ų3060.4 Ų60.414%0.13935%0.349CS..  trans-64.9146.8160-61.6105.5000108.3C163 C166 V169 E185 C186 F187C163-H183 VanDerWaalsContact CB-CE1 3.45Å; C163-H183 WeakPolarHBondContact CB-CE1 3.38Å; C163-H183 WeakPolarHBondContact CB-ND1 3.15Å; C163-H183 PolarHBondContact SG-N 3.31Å; C163-H183 VanDerWaalsContact SG-N 3.39Å; C163-H183 PolarHBondContact SG-ND1 3.43Å; C163-H183 VanDerWaalsContact SG-ND1 3.43Å; C166-H183 VanDerWaalsContact SG-CE1 3.51Å; C166-H183 PolarHBondContact SG-ND1 3.44Å; V169-H183 PolarHBondContact O-CE1 3.3Å; V169-H183 PolarHBondContact O-NE2 3.08Å; H183-E185 PolarHBondContact O-N 2.77Å; H183-C186 HydrophobicContact CB-CB 3.95Å; H183-C186 CarbonylContact O-C 3.47Å; H183-C186 WeakPolarHBondContact O-CA 3.46Å; H183-C186 WeakPolarHBondContact O-CB 3.19Å; H183-C186 PolarHBondContact O-N 3.37Å; H183-F187 PolarHBondContact O-N 3.29Å; H183-F187 VanDerWaalsContact O-N 3.14Å
184K88.6Confident88.6Confident105 Ų10562.3 Ų62.346%0.45734%0.342SS..G310 helixtrans-51.1-46.9174.7-66.4-176.7174.1-165.50111.7G173 I175 C186 F187 C197G173-K184 WeakPolarHBondContact O-CE 2.93Å; G173-K184 WeakPolarHBondContact O-CG 3.49Å; I175-K184 HydrophobicContact CD1-CB 4.37Å; I175-K184 HydrophobicContact CD1-CG 4.17Å; I175-K184 HydrophobicContact CG1-CG 3.98Å; K184-C186 PolarHBondContact O-N 3.25Å; K184-F187 PolarHBondContact O-N 2.77Å; K184-F187 VanDerWaalsContact O-N 3.12Å; K184-C197 HydrophobicContact CB-CB 4.48Å
185E89.5Confident88.7Confident152 Ų15264.5 Ų64.571%0.7135%0.345SS*.G310 helixtrans-63.4-24.5177.5-40.3167.7-122.200113.8H183 L188H183-E185 PolarHBondContact O-N 2.77Å; E185-L188 WeakPolarHBondContact O-CD2 3.27Å
186C90Very high88.8Confident20 Ų2063 Ų6314%0.13534%0.338CS..G310 helixtrans-92.4-8.9-179.4-70.80000112.2F165 H183 K184 L188F165-C186 HydrophobicContact CB-CB 3.93Å; F165-C186 HydrophobicContact CD1-CB 3.95Å; F165-C186 HydrophobicContact CG-CB 4.29Å; H183-C186 HydrophobicContact CB-CB 3.95Å; H183-C186 CarbonylContact O-C 3.47Å; H183-C186 WeakPolarHBondContact O-CA 3.46Å; H183-C186 WeakPolarHBondContact O-CB 3.19Å; H183-C186 PolarHBondContact O-N 3.37Å; K184-C186 PolarHBondContact O-N 3.25Å; C186-L188 VanDerWaalsContact C-N 3.31Å; C186-L188 PolarHBondContact O-N 3.38Å; C186-L188 VanDerWaalsContact O-N 3.08Å
187F91.5Very high88.4Confident2 Ų260.3 Ų60.31%0.00932%0.322CS..  trans-85.877.7179.1-164.5-109.2000109.9I175 F177 W182 H183 K184 L196 F201 P208I175-F187 HydrophobicContact CD1-CB 3.7Å; I175-F187 HydrophobicContact CD1-CD1 3.88Å; I175-F187 HydrophobicContact CD1-CG 3.88Å; I175-F187 HydrophobicContact CG2-CD2 4.43Å; I175-F187 HydrophobicContact CG2-CG 4.41Å; F177-F187 HydrophobicContact CB-CE2 3.62Å; F177-F187 HydrophobicContact CB-CZ 4.14Å; F177-F187 AromaticContact CD1-CE2 3.89Å; F177-F187 HydrophobicContact CD1-CE2 3.89Å; F177-F187 HydrophobicContact CD1-CZ 4.46Å; F177-F187 HydrophobicContact CD2-CE2 4.36Å; F177-F187 HydrophobicContact CD2-CZ 4.22Å; F177-F187 AromaticContact CG-CE2 3.69Å; F177-F187 HydrophobicContact CG-CE2 3.69Å; F177-F187 HydrophobicContact CG-CZ 4.01Å; W182-F187 HydrophobicContact CB-CB 4.43Å; W182-F187 HydrophobicContact CB-CD2 4.26Å; W182-F187 HydrophobicContact CD2-CD2 4.16Å; W182-F187 HydrophobicContact CE3-CD2 4.38Å; W182-F187 HydrophobicContact CG-CD2 4.08Å; H183-F187 PolarHBondContact O-N 3.29Å; H183-F187 VanDerWaalsContact O-N 3.14Å; K184-F187 PolarHBondContact O-N 2.77Å; K184-F187 VanDerWaalsContact O-N 3.12Å; F187-L196 HydrophobicContact CD1-CB 3.74Å; F187-L196 HydrophobicContact CE1-CB 3.83Å; F187-L196 PolarHBondContact O-N 2.84Å; F187-F201 HydrophobicContact CE1-CD1 4.13Å; F187-F201 AromaticContact CE1-CE1 3.91Å; F187-F201 HydrophobicContact CE1-CE1 3.91Å; F187-F201 HydrophobicContact CE1-CE2 4.39Å; F187-F201 HydrophobicContact CE1-CG 4.47Å; F187-F201 HydrophobicContact CE1-CZ 4.05Å; F187-F201 HydrophobicContact CZ-CD2 4.38Å; F187-F201 HydrophobicContact CZ-CE1 4.22Å; F187-F201 AromaticContact CZ-CE2 3.96Å; F187-F201 HydrophobicContact CZ-CE2 3.96Å; F187-F201 AromaticContact CZ-CZ 3.87Å; F187-F201 HydrophobicContact CZ-CZ 3.87Å; F187-P208 HydrophobicContact CD2-CG 4.28Å; F187-P208 HydrophobicContact CE1-CB 4.36Å; F187-P208 HydrophobicContact CE2-CB 3.93Å; F187-P208 HydrophobicContact CE2-CG 3.77Å; F187-P208 HydrophobicContact CZ-CB 3.7Å; F187-P208 HydrophobicContact CZ-CG 4.06Å
188L91.3Very high88.1Confident32 Ų3268 Ų6817%0.16836%0.358CS..BIsolated β-bridgetrans-112.9151.7-173.9-54.8177.7000110.9E185 C186 S190 K194 D195E185-L188 WeakPolarHBondContact O-CD2 3.27Å; C186-L188 VanDerWaalsContact C-N 3.31Å; C186-L188 PolarHBondContact O-N 3.38Å; C186-L188 VanDerWaalsContact O-N 3.08Å; L188-S190 PolarHBondContact O-N 2.89Å; L188-K194 CarbonylContact C-O 3.55Å; L188-K194 VanDerWaalsContact CA-O 3.28Å; L188-K194 WeakPolarHBondContact CA-O 3.42Å; L188-D195 HydrophobicContact CD2-CB 4.18Å
189C90.4Very high88Confident3 Ų370 Ų702%0.0236%0.363CS..  trans-56.5128.5171.2173.40000110.5G191 C192 R193 K194 L196 C210C189-G191 PolarHBondContact O-N 3.04Å; C189-G191 PolarHBondContact SG-N 3.09Å; C189-G191 VanDerWaalsContact SG-N 3.44Å; C189-C192 VanDerWaalsContact CB-SG 3.59Å; C189-C192 PolarHBondContact SG-SG 2.97Å; C189-R193 WeakPolarHBondContact O-CA 3.41Å; C189-R193 PolarHBondContact O-N 3.46Å; C189-K194 HydrophobicContact CB-CB 4.36Å; C189-K194 PolarHBondContact N-O 2.83Å; C189-L196 HydrophobicContact CB-CD1 3.94Å; C189-L196 HydrophobicContact CB-CD2 4.27Å; C189-L196 HydrophobicContact CB-CG 4.18Å; C189-C210 HydrophobicContact CB-CB 4.18Å; C189-C210 PolarHBondContact SG-N 3.39Å; C189-C210 VanDerWaalsContact SG-SG 3.64Å
190S87.6Confident88Confident51 Ų5171 Ų7136%0.35736%0.362SS..THydrogen-bonded Turntrans-68.2-22.2-176.5-54.50000113L188 Y207 P208L188-S190 PolarHBondContact O-N 2.89Å; S190-Y207 WeakPolarHBondContact OG-CB 3.46Å; S190-P208 WeakPolarHBondContact CB-O 3.43Å; S190-P208 PolarHBondContact N-O 2.91Å; S190-P208 PolarHBondContact OG-O 3.27Å
191G87.7Confident88.1Confident61 Ų6171.6 Ų71.663%0.62936%0.363SS*.THydrogen-bonded Turntrans-89-49.1176.500000114.2C189C189-G191 PolarHBondContact O-N 3.04Å; C189-G191 PolarHBondContact SG-N 3.09Å; C189-G191 VanDerWaalsContact SG-N 3.44Å
192C90.7Very high88Confident75 Ų7575.7 Ų75.751%0.50738%0.383SS..THydrogen-bonded Turntrans-116.6-1.8-169.670.80000114.8C189 K194C189-C192 VanDerWaalsContact CB-SG 3.59Å; C189-C192 PolarHBondContact SG-SG 2.97Å; C192-K194 PolarHBondContact O-N 3.22Å; C192-K194 VanDerWaalsContact O-N 3.17Å; C192-K194 VanDerWaalsContact SG-CB 3.57Å
193R88.2Confident87.8Confident150 Ų15078.9 Ų78.957%0.56641%0.407SS*.  trans62.613.7-179.8-54.6-69.9-66.9-92.9-6.6115.2C189C189-R193 WeakPolarHBondContact O-CA 3.41Å; C189-R193 PolarHBondContact O-N 3.46Å
194K88.4Confident87.6Confident98 Ų9885.7 Ų85.743%0.42643%0.432SS..  trans-60.9140.7171.4-172.8-174171.6-165.40110.4L188 C189 C192 E199 C210L188-K194 CarbonylContact C-O 3.55Å; L188-K194 VanDerWaalsContact CA-O 3.28Å; L188-K194 WeakPolarHBondContact CA-O 3.42Å; C189-K194 HydrophobicContact CB-CB 4.36Å; C189-K194 PolarHBondContact N-O 2.83Å; C192-K194 PolarHBondContact O-N 3.22Å; C192-K194 VanDerWaalsContact O-N 3.17Å; C192-K194 VanDerWaalsContact SG-CB 3.57Å; K194-E199 IonicContact NZ-OE2 2.71Å; K194-E199 PolarHBondContact NZ-OE2 2.88Å; K194-C210 HydrophobicContact CD-CB 4.46Å
195D88.8Confident87.4Confident78 Ų7886.5 Ų86.542%0.41744%0.441SS..BIsolated β-bridgetrans-62.5130.5172.5-166.7-36.5000110.8L188 C197L188-D195 HydrophobicContact CD2-CB 4.18Å; D195-C197 WeakPolarHBondContact OD1-CB 3.4Å; D195-C197 PolarHBondContact OD1-N 2.87Å
196L87.9Confident87.1Confident2 Ų284 Ų841%0.0143%0.432CS..  trans-114.95.4-179.1-61.3179.4000113.3F187 C189 E198 E199 F201 P208 C210F187-L196 HydrophobicContact CD1-CB 3.74Å; F187-L196 HydrophobicContact CE1-CB 3.83Å; F187-L196 PolarHBondContact O-N 2.84Å; C189-L196 HydrophobicContact CB-CD1 3.94Å; C189-L196 HydrophobicContact CB-CD2 4.27Å; C189-L196 HydrophobicContact CB-CG 4.18Å; L196-E198 PolarHBondContact O-N 2.91Å; L196-E199 HydrophobicContact CD2-CB 4.45Å; L196-F201 HydrophobicContact CB-CB 4.42Å; L196-F201 HydrophobicContact CD1-CB 3.9Å; L196-F201 HydrophobicContact CD2-CB 4.12Å; L196-F201 HydrophobicContact CG-CB 4.38Å; L196-P208 HydrophobicContact CD1-CB 3.72Å; L196-P208 HydrophobicContact CD1-CG 4.31Å; L196-C210 HydrophobicContact CD2-CB 3.88Å
197C81.8Confident86.7Confident38 Ų3889.3 Ų89.326%0.25745%0.45SS..SBendtrans-59.4-30.3-175-178.90000113.2I175 K184 D195I175-C197 HydrophobicContact CD1-CB 3.94Å; K184-C197 HydrophobicContact CB-CB 4.48Å; D195-C197 WeakPolarHBondContact OD1-CB 3.4Å; D195-C197 PolarHBondContact OD1-N 2.87Å
198E80.6Confident86.4Confident181 Ų18189.2 Ų89.285%0.84645%0.45SS*.SBendtrans-129.710.7-176.8-60.8-173.6168.600113L196L196-E198 PolarHBondContact O-N 2.91Å
199E82.8Confident86.2Confident100 Ų10090.9 Ų90.947%0.46746%0.456SS..SBendtrans-107.1158.4-176.8-64.4-81.3133.300110.9K194 L196K194-E199 IonicContact NZ-OE2 2.71Å; K194-E199 PolarHBondContact NZ-OE2 2.88Å; L196-E199 HydrophobicContact CD2-CB 4.45Å
200Q84.6Confident86Confident182 Ų18295.2 Ų95.285%0.8549%0.485SS*.  trans-67.7136.9165-70.4-174.4-19.100109.3
201F88.8Confident85.9Confident85 Ų8597.4 Ų97.437%0.37349%0.492SS..  trans-141.1160.1179.467.9-91000110.3F177 F187 L196 P208 F209F177-F201 HydrophobicContact CD2-CE2 4.01Å; F177-F201 HydrophobicContact CD2-CZ 4.32Å; F177-F201 AromaticContact CE2-CE2 3.77Å; F177-F201 HydrophobicContact CE2-CE2 3.77Å; F177-F201 HydrophobicContact CE2-CZ 4.49Å; F187-F201 HydrophobicContact CE1-CD1 4.13Å; F187-F201 AromaticContact CE1-CE1 3.91Å; F187-F201 HydrophobicContact CE1-CE1 3.91Å; F187-F201 HydrophobicContact CE1-CE2 4.39Å; F187-F201 HydrophobicContact CE1-CG 4.47Å; F187-F201 HydrophobicContact CE1-CZ 4.05Å; F187-F201 HydrophobicContact CZ-CD2 4.38Å; F187-F201 HydrophobicContact CZ-CE1 4.22Å; F187-F201 AromaticContact CZ-CE2 3.96Å; F187-F201 HydrophobicContact CZ-CE2 3.96Å; F187-F201 AromaticContact CZ-CZ 3.87Å; F187-F201 HydrophobicContact CZ-CZ 3.87Å; L196-F201 HydrophobicContact CB-CB 4.42Å; L196-F201 HydrophobicContact CD1-CB 3.9Å; L196-F201 HydrophobicContact CD2-CB 4.12Å; L196-F201 HydrophobicContact CG-CB 4.38Å; F201-P208 HydrophobicContact CD2-CB 4.19Å; F201-F209 CarbonylContact C-O 3.59Å; F201-F209 VanDerWaalsContact CA-O 3.24Å; F201-F209 WeakPolarHBondContact CA-O 3.24Å; F201-F209 VanDerWaalsContact CB-O 3.25Å; F201-F209 WeakPolarHBondContact CB-O 3.47Å
202M87.4Confident85.9Confident133 Ų13399.3 Ų99.366%0.65548%0.484SS*.EExtended strand (participates in β ladder)trans-113.3146.4171-64.7-170.4-68.400110.2F209M202-F209 PolarHBondContact N-O 3.26Å; M202-F209 PolarHBondContact O-N 2.94Å
203S86.6Confident85.6Confident79 Ų79100.7 Ų100.755%0.55248%0.483SS*.EExtended strand (participates in β ladder)trans-98130.2173.557.50000110.5
204R86.8Confident85.4Confident173 Ų17397.8 Ų97.865%0.65348%0.478SS*.EExtended strand (participates in β ladder)trans-137.2127.4169.7177.4179.5175.8172.54.1109.4D206 Y207 F209R204-D206 PolarHBondContact O-N 2.92Å; R204-Y207 PolarHBondContact N-O 3.31Å; R204-Y207 WeakPolarHBondContact O-CB 3.4Å; R204-Y207 PolarHBondContact O-N 2.84Å; R204-F209 HydrophobicContact CB-CD2 3.97Å; R204-F209 HydrophobicContact CB-CE2 3.79Å
205D84.2Confident85.2Confident121 Ų12197.8 Ų97.865%0.64748%0.482SS*.THydrogen-bonded Turntrans52.539.7179.5-53.8-45.9000113.3Y207D205-Y207 HydrophobicContact CB-CD2 4.45Å; D205-Y207 WeakPolarHBondContact O-CD2 3.47Å; D205-Y207 WeakPolarHBondContact O-CE2 3.13Å; D205-Y207 PolarHBondContact O-N 3.15Å
206D82.4Confident85Confident100 Ų10099.1 Ų99.154%0.53549%0.486SS..THydrogen-bonded Turntrans62.819-174.2-57-44.9000115.5F177 C178 R204F177-D206 WeakPolarHBondContact CE1-O 3.36Å; C178-D206 PolarHBondContact SG-OD1 2.92Å; C178-D206 VanDerWaalsContact SG-OD1 3.39Å; R204-D206 PolarHBondContact O-N 2.92Å
207Y82.9Confident84.8Confident131 Ų131106 Ų10651%0.51452%0.52SS..EExtended strand (participates in β ladder)trans-114.6137173.7-69-77.9000111.5S190 R204 D205 F209S190-Y207 WeakPolarHBondContact OG-CB 3.46Å; R204-Y207 PolarHBondContact N-O 3.31Å; R204-Y207 WeakPolarHBondContact O-CB 3.4Å; R204-Y207 PolarHBondContact O-N 2.84Å; D205-Y207 HydrophobicContact CB-CD2 4.45Å; D205-Y207 WeakPolarHBondContact O-CD2 3.47Å; D205-Y207 WeakPolarHBondContact O-CE2 3.13Å; D205-Y207 PolarHBondContact O-N 3.15Å; Y207-F209 VanDerWaalsContact O-CD2 3.24Å; Y207-F209 WeakPolarHBondContact O-CD2 3.42Å; Y207-F209 WeakPolarHBondContact O-CE2 3.02Å
208P85.8Confident85Confident0 Ų0111.2 Ų111.20%054%0.54CS..EExtended strand (participates in β ladder)trans-83.4141177.934.6-36.3000111.7F177 F187 S190 L196 F201F177-P208 HydrophobicContact CE1-CB 4.42Å; F187-P208 HydrophobicContact CD2-CG 4.28Å; F187-P208 HydrophobicContact CE1-CB 4.36Å; F187-P208 HydrophobicContact CE2-CB 3.93Å; F187-P208 HydrophobicContact CE2-CG 3.77Å; F187-P208 HydrophobicContact CZ-CB 3.7Å; F187-P208 HydrophobicContact CZ-CG 4.06Å; S190-P208 WeakPolarHBondContact CB-O 3.43Å; S190-P208 PolarHBondContact N-O 2.91Å; S190-P208 PolarHBondContact OG-O 3.27Å; L196-P208 HydrophobicContact CD1-CB 3.72Å; L196-P208 HydrophobicContact CD1-CG 4.31Å; F201-P208 HydrophobicContact CD2-CB 4.19Å
209F86.4Confident85.4Confident67 Ų67105.4 Ų105.429%0.29452%0.515SS..EExtended strand (participates in β ladder)trans-134143.3178.5-65.5-92.5000110.8F201 M202 R204 Y207F201-F209 CarbonylContact C-O 3.59Å; F201-F209 VanDerWaalsContact CA-O 3.24Å; F201-F209 WeakPolarHBondContact CA-O 3.24Å; F201-F209 VanDerWaalsContact CB-O 3.25Å; F201-F209 WeakPolarHBondContact CB-O 3.47Å; M202-F209 PolarHBondContact N-O 3.26Å; M202-F209 PolarHBondContact O-N 2.94Å; R204-F209 HydrophobicContact CB-CD2 3.97Å; R204-F209 HydrophobicContact CB-CE2 3.79Å; Y207-F209 VanDerWaalsContact O-CD2 3.24Å; Y207-F209 WeakPolarHBondContact O-CD2 3.42Å; Y207-F209 WeakPolarHBondContact O-CE2 3.02Å
210C86.3Confident85.6Confident94 Ų94105.9 Ų105.964%0.63552%0.519SS*.  trans-68.80173.1640000112.6C189 K194 L196C189-C210 HydrophobicContact CB-CB 4.18Å; C189-C210 PolarHBondContact SG-N 3.39Å; C189-C210 VanDerWaalsContact SG-SG 3.64Å; K194-C210 HydrophobicContact CD-CB 4.46Å; L196-C210 HydrophobicContact CD2-CB 3.88Å

Retrieved 210 of 210 residues in 115.1 ms (Link to these results)

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