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Coatomer subunit zeta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins. The zeta subunit may be involved in regulating the coat assembly and, hence, the rate of biosynthetic protein transport due to its association-dissociation properties with the coatomer complex.

AlphaFold DB , UniProt , Accession G4V8D5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 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
1M49.9Very low82.1Confident237 Ų237107.8 Ų107.8100%1.16756%0.56SS**  0116.40-170.6170.469.600105.6L3M1-L3 PolarHBondContact O-N 3.34Å
2L63.8Low83.4Confident170 Ų17098.8 Ų98.889%0.8951%0.513SS*.PPolyproline II helixtrans-68.5128.6175.2-76.4158.2000107.1E4L2-E4 PolarHBondContact O-N 2.84Å
3L69.4Low84.6Confident118 Ų11891.2 Ų91.262%0.61847%0.474SS*.PPolyproline II helixtrans-63129.9172.5-163.978.2000107.5M1 N82M1-L3 PolarHBondContact O-N 3.34Å; L3-N82 HydrophobicContact CD2-CB 4.39Å
4E78.5Confident85.6Confident168 Ų16884.7 Ų84.779%0.78544%0.44SS*.PPolyproline II helixtrans-66.3137.8173.4-69.2-170.4163.400109L2 S6L2-E4 PolarHBondContact O-N 2.84Å; E4-S6 PolarHBondContact O-N 3.14Å
5P79.9Confident86.4Confident136 Ų13679.1 Ų79.188%0.88341%0.411SS*.PPolyproline II helixtrans-62.2130.6178.426.1-33.2000109.9
6S88.2Confident87.2Confident67 Ų6774.1 Ų74.147%0.46939%0.385SS..  trans-120.6148.5178.3178.40000109.9E4 Y8E4-S6 PolarHBondContact O-N 3.14Å; S6-Y8 VanDerWaalsContact C-N 3.31Å; S6-Y8 PolarHBondContact OG-N 3.28Å; S6-Y8 VanDerWaalsContact OG-N 3.09Å
7L91.5Very high87.7Confident128 Ų12870.1 Ų70.167%0.6736%0.364SS*.SBendtrans-78.7-19.6169.6-67.1176.6000112.3S9 I131L7-S9 PolarHBondContact O-N 3.46Å; L7-I131 HydrophobicContact CB-CD1 4.36Å; L7-I131 HydrophobicContact CB-CG1 4.23Å; L7-I131 HydrophobicContact CB-CG2 4.29Å; L7-I131 WeakPolarHBondContact O-CA 3.05Å
8Y93.9Very high88.2Confident138 Ų13869.6 Ų69.654%0.54137%0.368SS..BIsolated β-bridgetrans-82.592.1177.5-58.6-84.2000108.9S6 N129 I131S6-Y8 VanDerWaalsContact C-N 3.31Å; S6-Y8 PolarHBondContact OG-N 3.28Å; S6-Y8 VanDerWaalsContact OG-N 3.09Å; Y8-N129 VanDerWaalsContact CD1-O 3.28Å; Y8-N129 WeakPolarHBondContact CD1-O 3.43Å; Y8-N129 WeakPolarHBondContact CE1-O 3.39Å; Y8-I131 HydrophobicContact CD1-CD1 4.44Å; Y8-I131 HydrophobicContact CD1-CG1 3.97Å; Y8-I131 HydrophobicContact CE1-CD1 4.02Å; Y8-I131 HydrophobicContact CE1-CG1 4.03Å
9S93.8Very high88.6Confident6 Ų672.6 Ų72.64%0.04238%0.379CS..  trans-117.1-15.3-17356.20000114L7 E83 L87 G130L7-S9 PolarHBondContact O-N 3.46Å; S9-E83 WeakPolarHBondContact CB-OE2 3.15Å; S9-L87 WeakPolarHBondContact OG-CD2 3.28Å; S9-G130 PolarHBondContact N-O 3.16Å
10I97.4Very high89Confident5 Ų569.7 Ų69.73%0.02637%0.368CS..  trans-113.5115.5-179.1-60.6175.1000109.5I13 Y28 V77 L88 A91 C127 G130 L132I10-I13 HydrophobicContact CG2-CD1 4.32Å; I10-I13 HydrophobicContact CG2-CG1 3.86Å; I10-Y28 HydrophobicContact CG2-CD2 4.08Å; I10-Y28 HydrophobicContact CG2-CE2 4.08Å; I10-V77 HydrophobicContact CD1-CG1 4.13Å; I10-V77 HydrophobicContact CG1-CG1 4.09Å; I10-V77 HydrophobicContact CG2-CG1 3.98Å; I10-L88 HydrophobicContact CG1-CD2 4.17Å; I10-A91 HydrophobicContact CD1-CB 3.95Å; I10-C127 HydrophobicContact CD1-CB 4.24Å; I10-G130 PolarHBondContact N-O 2.73Å; I10-G130 WeakPolarHBondContact O-CA 3.02Å; I10-L132 HydrophobicContact CD1-CB 4.14Å; I10-L132 HydrophobicContact CD1-CD1 4.05Å
11N97.1Very high89.4Confident13 Ų1372.2 Ų72.27%0.0738%0.376CS..SBendtrans-80.5-40.5173.7-52.676.7000110.9Y28 D29 V78 G79 D80N11-Y28 PolarHBondContact O-N 3.39Å; N11-D29 PolarHBondContact ND2-OD2 3Å; N11-V78 PolarHBondContact N-O 2.93Å; N11-G79 WeakPolarHBondContact OD1-CA 3.4Å; N11-D80 PolarHBondContact ND2-OD1 2.77Å; N11-D80 PolarHBondContact OD1-N 3.49Å
12S97.9Very high91.7Very high0 Ų065 Ų650%034%0.336CS..EExtended strand (participates in β ladder)trans-155.9155.2177.764.10000115.3K26 Y27 V78S12-K26 CarbonylContact C-O 3.58Å; S12-K26 WeakPolarHBondContact CA-O 3.39Å; S12-K26 WeakPolarHBondContact CB-O 3.43Å; S12-Y27 VanDerWaalsContact CB-CD1 3.47Å; S12-V78 PolarHBondContact N-O 3.47Å; S12-V78 PolarHBondContact O-N 3.02Å; S12-V78 WeakPolarHBondContact OG-CB 3.06Å
13I98.4Very high93.3Very high0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-124.6127.6172.1-62.7173.6000108.1I10 A25 K26 Y28 Y76 V77 L95 V123 L126 C127I10-I13 HydrophobicContact CG2-CD1 4.32Å; I10-I13 HydrophobicContact CG2-CG1 3.86Å; I13-A25 WeakPolarHBondContact O-CA 3.44Å; I13-K26 PolarHBondContact N-O 2.85Å; I13-K26 PolarHBondContact O-N 3.19Å; I13-Y28 HydrophobicContact CD1-CE2 4.08Å; I13-Y28 HydrophobicContact CG1-CE2 4.12Å; I13-Y76 WeakPolarHBondContact CA-O 3.33Å; I13-V77 HydrophobicContact CG1-CG2 4.39Å; I13-L95 HydrophobicContact CG2-CD2 3.72Å; I13-V123 HydrophobicContact CB-CG1 4.48Å; I13-V123 HydrophobicContact CD1-CG1 4.21Å; I13-V123 HydrophobicContact CG2-CG1 4.29Å; I13-L126 HydrophobicContact CD1-CD2 3.94Å; I13-C127 HydrophobicContact CD1-CB 3.67Å
14L98.3Very high94.7Very high0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-131.4142.2-174.5-42.3167.4000110.7L24 A25 Y27 F41 E42 L45 Y76L14-L24 WeakPolarHBondContact CA-O 3.37Å; L14-A25 HydrophobicContact CD2-CB 3.59Å; L14-Y27 HydrophobicContact CD2-CE1 4.48Å; L14-Y27 HydrophobicContact CD2-CE2 3.72Å; L14-F41 HydrophobicContact CD1-CD1 4.46Å; L14-F41 HydrophobicContact CD1-CE1 4.12Å; L14-E42 HydrophobicContact CD1-CG 4.11Å; L14-L45 HydrophobicContact CD1-CD2 4Å; L14-Y76 HydrophobicContact CB-CD2 4.15Å; L14-Y76 PolarHBondContact N-O 3.49Å; L14-Y76 PolarHBondContact O-N 3.33Å
15I98.4Very high95.6Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-126.7119.5166.3-53.2178000107I23 L24 L73 Y74 F75 L112 I119I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 HydrophobicContact CG2-CB 4.3Å; I15-I23 HydrophobicContact CG2-CD1 4.31Å; I15-I23 WeakPolarHBondContact O-CA 3.44Å; I15-I23 WeakPolarHBondContact O-CB 3.37Å; I15-I23 PolarHBondContact O-N 3.4Å; I15-L24 HydrophobicContact CB-CB 4.15Å; I15-L24 HydrophobicContact CD1-CB 4.33Å; I15-L24 HydrophobicContact CG1-CB 4.32Å; I15-L24 PolarHBondContact N-O 3.31Å; I15-L24 PolarHBondContact O-N 2.9Å; I15-L24 VanDerWaalsContact O-N 3.07Å; I15-L73 HydrophobicContact CG2-CD2 4.22Å; I15-Y74 CarbonylContact C-O 3.5Å; I15-Y74 WeakPolarHBondContact CA-O 3.27Å; I15-F75 HydrophobicContact CD1-CD1 4.03Å; I15-F75 HydrophobicContact CD1-CE1 3.86Å; I15-F75 HydrophobicContact CG1-CD1 3.93Å; I15-F75 HydrophobicContact CG1-CE1 4.2Å; I15-F75 HydrophobicContact CG2-CD1 4.48Å; I15-F75 HydrophobicContact CG2-CE1 4.34Å; I15-L112 HydrophobicContact CG2-CD1 4.11Å; I15-I119 HydrophobicContact CD1-CG2 3.87Å
16L98.2Very high96.5Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-115.3157178.3-49.3-177.7000110.5K21 R22 E42 F46 Y74 Y76L16-K21 CarbonylContact C-O 3.36Å; L16-K21 VanDerWaalsContact CA-O 3.3Å; L16-K21 WeakPolarHBondContact CA-O 3.37Å; L16-R22 HydrophobicContact CD2-CB 4.25Å; L16-E42 HydrophobicContact CD1-CB 4.43Å; L16-E42 HydrophobicContact CD2-CG 4.32Å; L16-F46 HydrophobicContact CD1-CB 4.02Å; L16-F46 HydrophobicContact CD1-CD2 4.29Å; L16-Y74 PolarHBondContact N-O 2.77Å; L16-Y74 PolarHBondContact O-N 3.25Å; L16-Y76 HydrophobicContact CB-CE2 4.32Å; L16-Y76 HydrophobicContact CD1-CD2 4.37Å; L16-Y76 HydrophobicContact CD1-CE2 3.73Å; L16-Y76 HydrophobicContact CG-CD2 4.25Å; L16-Y76 HydrophobicContact CG-CE2 3.86Å
17D97.2Very high96.9Very high5 Ų540.6 Ų40.63%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-86178.816972.612000113E19 G20 K21 I23 F46 D72 K109D17-E19 PolarHBondContact O-N 3.48Å; D17-E19 VanDerWaalsContact O-N 3.13Å; D17-E19 WeakPolarHBondContact OD1-CA 3.01Å; D17-E19 WeakPolarHBondContact OD1-CB 3.16Å; D17-E19 PolarHBondContact OD1-N 2.86Å; D17-G20 PolarHBondContact O-N 3.48Å; D17-G20 PolarHBondContact OD1-N 2.85Å; D17-G20 VanDerWaalsContact OD1-N 3.14Å; D17-K21 PolarHBondContact N-O 3.26Å; D17-K21 WeakPolarHBondContact OD1-CB 3.27Å; D17-K21 PolarHBondContact OD1-N 2.75Å; D17-I23 HydrophobicContact CB-CD1 3.99Å; D17-I23 HydrophobicContact CB-CG1 4.33Å; D17-F46 WeakPolarHBondContact O-CE2 3.16Å; D17-D72 CarbonylContact C-O 3.58Å; D17-D72 WeakPolarHBondContact CA-O 3.09Å; D17-K109 HydrophobicContact CB-CD 3.91Å; D17-K109 IonicContact OD2-NZ 2.7Å; D17-K109 PolarHBondContact OD2-NZ 3.4Å
18S95.7Very high97.1Very high62 Ų6236.4 Ų36.443%0.43417%0.173SC..THydrogen-bonded Turntrans-65.1-6.9177.658.80000115.9F46 D72S18-F46 WeakPolarHBondContact O-CZ 3.34Å; S18-D72 PolarHBondContact N-O 3.48Å
19E96.1Very high97Very high126 Ų12632.3 Ų32.359%0.58916%0.16SC*.THydrogen-bonded Turntrans-101.61171.5-60.3-179.1178.200112D17 K21D17-E19 PolarHBondContact O-N 3.48Å; D17-E19 VanDerWaalsContact O-N 3.13Å; D17-E19 WeakPolarHBondContact OD1-CA 3.01Å; D17-E19 WeakPolarHBondContact OD1-CB 3.16Å; D17-E19 PolarHBondContact OD1-N 2.86Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 HydrophobicContact CB-CD 4.37Å; E19-K21 HydrophobicContact CB-CG 4.3Å; E19-K21 WeakPolarHBondContact OE2-CE 3.33Å; E19-K21 IonicContact OE2-NZ 2.68Å; E19-K21 PolarHBondContact OE2-NZ 2.92Å
20G96.4Very high96.7Very high15 Ų1536.8 Ų36.816%0.15519%0.191CC..SBendtrans74.718.4-174.500000113.3D17 F46D17-G20 PolarHBondContact O-N 3.48Å; D17-G20 PolarHBondContact OD1-N 2.85Å; D17-G20 VanDerWaalsContact OD1-N 3.14Å; G20-F46 VanDerWaalsContact CA-CD1 3.44Å; G20-F46 VanDerWaalsContact N-CZ 3.34Å
21K97.7Very high96.3Very high122 Ų12239.7 Ų39.753%0.5321%0.212SC..  trans-85.3139.5174.8-64.4172.4174.4162.10109.8L16 D17 E19 I23L16-K21 CarbonylContact C-O 3.36Å; L16-K21 VanDerWaalsContact CA-O 3.3Å; L16-K21 WeakPolarHBondContact CA-O 3.37Å; D17-K21 PolarHBondContact N-O 3.26Å; D17-K21 WeakPolarHBondContact OD1-CB 3.27Å; D17-K21 PolarHBondContact OD1-N 2.75Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 HydrophobicContact CB-CD 4.37Å; E19-K21 HydrophobicContact CB-CG 4.3Å; E19-K21 WeakPolarHBondContact OE2-CE 3.33Å; E19-K21 IonicContact OE2-NZ 2.68Å; E19-K21 PolarHBondContact OE2-NZ 2.92Å; K21-I23 PolarHBondContact O-N 2.99Å
22R97.9Very high96.1Very high87 Ų8740.4 Ų40.433%0.32822%0.215SC..EExtended strand (participates in β ladder)trans-61.6126.8177.4-171.2-170.3-70.3-171-7.2111.5L16 A25 Q38 E42L16-R22 HydrophobicContact CD2-CB 4.25Å; R22-A25 HydrophobicContact CG-CB 3.9Å; R22-Q38 VanDerWaalsContact NH2-CB 3.33Å; R22-Q38 VanDerWaalsContact NH2-OE1 3.11Å; R22-E42 IonicContact CZ-OE1 2.68Å; R22-E42 IonicContact CZ-OE2 2.99Å; R22-E42 IonicContact NE-OE1 3.93Å; R22-E42 PolarHBondContact NE-OE1 3.28Å; R22-E42 IonicContact NE-OE2 2.75Å; R22-E42 PolarHBondContact NE-OE2 3.29Å; R22-E42 VanDerWaalsContact NE-OE2 3.11Å; R22-E42 IonicContact NH2-OE1 3.84Å; R22-E42 PolarHBondContact NH2-OE1 3.36Å; R22-E42 IonicContact NH2-OE2 2.65Å
23I98Very high95.7Very high23 Ų2345 Ų4512%0.11825%0.245CC..EExtended strand (participates in β ladder)trans-98-50.7163.5-65171.4000108.9I15 D17 K21 L73 K109 L112 M113 L116I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 HydrophobicContact CG2-CB 4.3Å; I15-I23 HydrophobicContact CG2-CD1 4.31Å; I15-I23 WeakPolarHBondContact O-CA 3.44Å; I15-I23 WeakPolarHBondContact O-CB 3.37Å; I15-I23 PolarHBondContact O-N 3.4Å; D17-I23 HydrophobicContact CB-CD1 3.99Å; D17-I23 HydrophobicContact CB-CG1 4.33Å; K21-I23 PolarHBondContact O-N 2.99Å; I23-L73 HydrophobicContact CD1-CD2 3.27Å; I23-K109 HydrophobicContact CD1-CG 4.19Å; I23-L112 HydrophobicContact CG2-CD2 3.56Å; I23-M113 HydrophobicContact CG2-SD 3.84Å; I23-L116 HydrophobicContact CG2-CD1 4.2Å
24L98.3Very high95.6Very high2 Ų247.3 Ų47.31%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-138.2139.4177.4-178.2152000109.2L14 I15 K26 I119 F120 V123L14-L24 WeakPolarHBondContact CA-O 3.37Å; I15-L24 HydrophobicContact CB-CB 4.15Å; I15-L24 HydrophobicContact CD1-CB 4.33Å; I15-L24 HydrophobicContact CG1-CB 4.32Å; I15-L24 PolarHBondContact N-O 3.31Å; I15-L24 PolarHBondContact O-N 2.9Å; I15-L24 VanDerWaalsContact O-N 3.07Å; L24-K26 HydrophobicContact CD2-CG 4.31Å; L24-I119 HydrophobicContact CD1-CG2 4.06Å; L24-F120 HydrophobicContact CD1-CD1 3.63Å; L24-F120 HydrophobicContact CD1-CD2 4.43Å; L24-F120 HydrophobicContact CD1-CE1 3.62Å; L24-F120 HydrophobicContact CD1-CE2 4.42Å; L24-F120 HydrophobicContact CD1-CG 4.06Å; L24-F120 HydrophobicContact CD1-CZ 4.03Å; L24-F120 HydrophobicContact CG-CD1 4.29Å; L24-F120 HydrophobicContact CG-CE1 3.8Å; L24-F120 HydrophobicContact CG-CZ 4.16Å; L24-V123 HydrophobicContact CD1-CG2 3.94Å; L24-V123 HydrophobicContact CD2-CG1 4.34Å; L24-V123 HydrophobicContact CD2-CG2 4.04Å
25A97.9Very high95.4Very high23 Ų2351.6 Ų51.619%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-144.3131.6168.400000110.3I13 L14 R22 Y27I13-A25 WeakPolarHBondContact O-CA 3.44Å; L14-A25 HydrophobicContact CD2-CB 3.59Å; R22-A25 HydrophobicContact CG-CB 3.9Å; A25-Y27 HydrophobicContact CB-CD2 4.33Å; A25-Y27 HydrophobicContact CB-CE2 3.93Å
26K97.7Very high95.4Very high58 Ų5858.5 Ų58.525%0.25232%0.317SS..EExtended strand (participates in β ladder)trans-124.5120169.1-70.8-83.7-179.81390107.5S12 I13 L24 Y28 V123 D124S12-K26 CarbonylContact C-O 3.58Å; S12-K26 WeakPolarHBondContact CA-O 3.39Å; S12-K26 WeakPolarHBondContact CB-O 3.43Å; I13-K26 PolarHBondContact N-O 2.85Å; I13-K26 PolarHBondContact O-N 3.19Å; L24-K26 HydrophobicContact CD2-CG 4.31Å; K26-Y28 HydrophobicContact CB-CE1 4.22Å; K26-Y28 HydrophobicContact CB-CE2 4.12Å; K26-V123 HydrophobicContact CB-CG1 4.48Å; K26-V123 HydrophobicContact CG-CG1 3.91Å; K26-D124 IonicContact NZ-OD1 2.9Å; K26-D124 PolarHBondContact NZ-OD1 3.06Å; K26-D124 IonicContact NZ-OD2 2.64Å
27Y97.4Very high95.2Very high39 Ų3961.9 Ų61.915%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-111.2124.2172.8-71.8-93.1000107.3S12 L14 A25 F32 Q38 E42S12-Y27 VanDerWaalsContact CB-CD1 3.47Å; L14-Y27 HydrophobicContact CD2-CE1 4.48Å; L14-Y27 HydrophobicContact CD2-CE2 3.72Å; A25-Y27 HydrophobicContact CB-CD2 4.33Å; A25-Y27 HydrophobicContact CB-CE2 3.93Å; Y27-F32 HydrophobicContact CD1-CB 4.07Å; Y27-F32 AromaticContact CD1-CD2 3.81Å; Y27-F32 HydrophobicContact CD1-CD2 3.81Å; Y27-F32 HydrophobicContact CD1-CG 4.33Å; Y27-F32 HydrophobicContact CE1-CB 3.99Å; Y27-F32 AromaticContact CE1-CD2 3.54Å; Y27-F32 HydrophobicContact CE1-CD2 3.54Å; Y27-F32 HydrophobicContact CE1-CE2 4.31Å; Y27-F32 AromaticContact CE1-CG 3.97Å; Y27-F32 HydrophobicContact CE1-CG 3.97Å; Y27-Q38 HydrophobicContact CD1-CG 4.25Å; Y27-Q38 HydrophobicContact CD2-CB 4.43Å; Y27-Q38 HydrophobicContact CD2-CG 3.79Å; Y27-Q38 HydrophobicContact CE1-CB 4.46Å; Y27-Q38 HydrophobicContact CE1-CG 4.01Å; Y27-Q38 HydrophobicContact CE2-CB 3.67Å; Y27-Q38 HydrophobicContact CE2-CG 3.5Å; Y27-Q38 HydrophobicContact CG-CG 4.15Å; Y27-E42 PolarHBondContact OH-OE1 3.42Å
28Y96.3Very high95.2Very high41 Ų4163.1 Ų63.116%0.16134%0.34CS..  trans-103.2-12-173.7-58.1-70.8000113.1I10 N11 I13 K26 C127 G130I10-Y28 HydrophobicContact CG2-CD2 4.08Å; I10-Y28 HydrophobicContact CG2-CE2 4.08Å; N11-Y28 PolarHBondContact O-N 3.39Å; I13-Y28 HydrophobicContact CD1-CE2 4.08Å; I13-Y28 HydrophobicContact CG1-CE2 4.12Å; K26-Y28 HydrophobicContact CB-CE1 4.22Å; K26-Y28 HydrophobicContact CB-CE2 4.12Å; Y28-C127 HydrophobicContact CE2-CB 4.27Å; Y28-C127 PolarHBondContact OH-O 3.41Å; Y28-G130 VanDerWaalsContact CG-N 3.28Å
29D91Very high95.3Very high51 Ų5164.2 Ų64.227%0.27334%0.341SS..SBendtrans-119.8-178.4-179.180.6-14.3000112.2N11 S31N11-D29 PolarHBondContact ND2-OD2 3Å; D29-S31 WeakPolarHBondContact OD1-CB 3.32Å; D29-S31 PolarHBondContact OD1-N 3.32Å; D29-S31 VanDerWaalsContact OD1-N 3.14Å; D29-S31 WeakPolarHBondContact OD2-CB 3.44Å; D29-S31 PolarHBondContact OD2-OG 3.41Å
30S88.4Confident95.4Very high101 Ų10162.2 Ų62.271%0.70633%0.331SS*.SBendtrans-95.811.8178600000114.2F32 P33S30-F32 PolarHBondContact O-N 2.97Å; S30-P33 WeakPolarHBondContact O-CD 3.44Å
31S88.8Confident95.4Very high66 Ų6661.7 Ų61.746%0.46233%0.325SS..SBendtrans-64.9-31.7-178.5-68.20000112.1D29 P33D29-S31 WeakPolarHBondContact OD1-CB 3.32Å; D29-S31 PolarHBondContact OD1-N 3.32Å; D29-S31 VanDerWaalsContact OD1-N 3.14Å; D29-S31 WeakPolarHBondContact OD2-CB 3.44Å; D29-S31 PolarHBondContact OD2-OG 3.41Å; S31-P33 WeakPolarHBondContact O-CD 3.49Å
32F91.4Very high95.4Very high27 Ų2756 Ų5612%0.11830%0.3CS..SBendtrans-123.774.7176.3-54.5-78.6000110.8Y27 S30 S34 Q38 F41Y27-F32 HydrophobicContact CD1-CB 4.07Å; Y27-F32 AromaticContact CD1-CD2 3.81Å; Y27-F32 HydrophobicContact CD1-CD2 3.81Å; Y27-F32 HydrophobicContact CD1-CG 4.33Å; Y27-F32 HydrophobicContact CE1-CB 3.99Å; Y27-F32 AromaticContact CE1-CD2 3.54Å; Y27-F32 HydrophobicContact CE1-CD2 3.54Å; Y27-F32 HydrophobicContact CE1-CE2 4.31Å; Y27-F32 AromaticContact CE1-CG 3.97Å; Y27-F32 HydrophobicContact CE1-CG 3.97Å; S30-F32 PolarHBondContact O-N 2.97Å; F32-S34 PolarHBondContact O-N 3.32Å; F32-Q38 HydrophobicContact CB-CG 3.62Å; F32-Q38 WeakPolarHBondContact O-CG 3.34Å; F32-Q38 PolarHBondContact O-NE2 3.46Å; F32-Q38 VanDerWaalsContact O-NE2 3.08Å; F32-F41 HydrophobicContact CD1-CB 3.95Å; F32-F41 HydrophobicContact CD1-CG 4.3Å; F32-F41 HydrophobicContact CE1-CB 3.62Å; F32-F41 HydrophobicContact CE1-CD1 4.47Å; F32-F41 AromaticContact CE1-CD2 3.6Å; F32-F41 HydrophobicContact CE1-CD2 3.6Å; F32-F41 HydrophobicContact CE1-CE2 4.38Å; F32-F41 AromaticContact CE1-CG 3.64Å; F32-F41 HydrophobicContact CE1-CG 3.64Å; F32-F41 HydrophobicContact CE2-CD1 4.34Å; F32-F41 HydrophobicContact CE2-CD2 4.27Å; F32-F41 HydrophobicContact CE2-CE1 4.44Å; F32-F41 HydrophobicContact CE2-CE2 4.38Å; F32-F41 HydrophobicContact CE2-CG 4.23Å; F32-F41 HydrophobicContact CE2-CZ 4.45Å; F32-F41 HydrophobicContact CZ-CB 4.12Å; F32-F41 HydrophobicContact CZ-CD1 4.14Å; F32-F41 AromaticContact CZ-CD2 3.36Å; F32-F41 HydrophobicContact CZ-CD2 3.36Å; F32-F41 HydrophobicContact CZ-CE1 4.4Å; F32-F41 AromaticContact CZ-CE2 3.68Å; F32-F41 HydrophobicContact CZ-CE2 3.68Å; F32-F41 AromaticContact CZ-CG 3.6Å; F32-F41 HydrophobicContact CZ-CG 3.6Å; F32-F41 HydrophobicContact CZ-CZ 4.19Å
33P90.9Very high95.4Very high98 Ų9854.2 Ų54.264%0.63630%0.301SS*.  trans-74.7-9.7-166.130-36.6000114.4S30 S31 L37S30-P33 WeakPolarHBondContact O-CD 3.44Å; S31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-L37 HydrophobicContact CG-CD1 4.13Å
34S95Very high95.3Very high48 Ų4857.8 Ų57.834%0.33632%0.315SS..SBendtrans-127.8147.8178.8730000111.3F32 K36 L37 Q38F32-S34 PolarHBondContact O-N 3.32Å; S34-K36 PolarHBondContact O-N 3.46Å; S34-K36 VanDerWaalsContact O-N 3.15Å; S34-L37 PolarHBondContact O-N 2.9Å; S34-L37 WeakPolarHBondContact OG-CG 3.41Å; S34-L37 PolarHBondContact OG-N 3.04Å; S34-Q38 WeakPolarHBondContact O-CG 3.33Å; S34-Q38 PolarHBondContact O-N 3.5Å
35V95.3Very high95.2Very high90 Ų9057.7 Ų57.755%0.54532%0.315SS..Hα-helixtrans-54.2-36.3176179.70000111.3Q38 L39V35-Q38 PolarHBondContact O-N 2.69Å; V35-L39 HydrophobicContact CG1-CD1 3.98Å; V35-L39 HydrophobicContact CG1-CG 4.25Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3.15Å
36K96.8Very high95.1Very high144 Ų14457.7 Ų57.763%0.62631%0.311SS*.Hα-helixtrans-59.6-49.3176.3-175.2-176174.8-170.30111.9S34 Q38 L39 E40S34-K36 PolarHBondContact O-N 3.46Å; S34-K36 VanDerWaalsContact O-N 3.15Å; K36-Q38 VanDerWaalsContact C-N 3.34Å; K36-L39 PolarHBondContact O-N 2.9Å; K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 WeakPolarHBondContact O-CG 3.32Å; K36-E40 PolarHBondContact O-N 2.87Å
37L95.8Very high94.9Very high72 Ų7261.7 Ų61.738%0.37733%0.328SS..Hα-helixtrans-66.7-36.6179.5-69.7172.5000112P33 S34 E40 F41P33-L37 HydrophobicContact CG-CD1 4.13Å; S34-L37 PolarHBondContact O-N 2.9Å; S34-L37 WeakPolarHBondContact OG-CG 3.41Å; S34-L37 PolarHBondContact OG-N 3.04Å; L37-E40 PolarHBondContact O-N 3.44Å; L37-F41 WeakPolarHBondContact O-CB 3.44Å; L37-F41 PolarHBondContact O-N 3.43Å
38Q97.3Very high94.7Very high30 Ų3064.6 Ų64.614%0.1434%0.342CS..Hα-helixtrans-61.7-49174.5-65.5172.32.100111.4R22 Y27 F32 S34 V35 K36 E40 F41 E42R22-Q38 VanDerWaalsContact NH2-CB 3.33Å; R22-Q38 VanDerWaalsContact NH2-OE1 3.11Å; Y27-Q38 HydrophobicContact CD1-CG 4.25Å; Y27-Q38 HydrophobicContact CD2-CB 4.43Å; Y27-Q38 HydrophobicContact CD2-CG 3.79Å; Y27-Q38 HydrophobicContact CE1-CB 4.46Å; Y27-Q38 HydrophobicContact CE1-CG 4.01Å; Y27-Q38 HydrophobicContact CE2-CB 3.67Å; Y27-Q38 HydrophobicContact CE2-CG 3.5Å; Y27-Q38 HydrophobicContact CG-CG 4.15Å; F32-Q38 HydrophobicContact CB-CG 3.62Å; F32-Q38 WeakPolarHBondContact O-CG 3.34Å; F32-Q38 PolarHBondContact O-NE2 3.46Å; F32-Q38 VanDerWaalsContact O-NE2 3.08Å; S34-Q38 WeakPolarHBondContact O-CG 3.33Å; S34-Q38 PolarHBondContact O-N 3.5Å; V35-Q38 PolarHBondContact O-N 2.69Å; K36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-E40 VanDerWaalsContact C-N 3.33Å; Q38-E40 PolarHBondContact O-N 2.91Å; Q38-F41 WeakPolarHBondContact O-CB 3.36Å; Q38-F41 PolarHBondContact O-N 3.35Å; Q38-E42 WeakPolarHBondContact O-CB 3.45Å; Q38-E42 VanDerWaalsContact O-CG 3.31Å; Q38-E42 WeakPolarHBondContact O-CG 3.46Å; Q38-E42 PolarHBondContact O-N 3.45Å
39L97.2Very high94.6Very high85 Ų8562.7 Ų62.745%0.44533%0.334SS..Hα-helixtrans-64.2-36.1178.1-68174.4000112.5V35 K36 S43V35-L39 HydrophobicContact CG1-CD1 3.98Å; V35-L39 HydrophobicContact CG1-CG 4.25Å; V35-L39 VanDerWaalsContact O-CG 3.28Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 3.15Å; K36-L39 PolarHBondContact O-N 2.9Å; L39-S43 WeakPolarHBondContact O-CB 3.35Å; L39-S43 PolarHBondContact O-N 2.99Å
40E96.8Very high94.5Very high85 Ų8562 Ų6240%0.39733%0.333SS..Hα-helixtrans-64-43.5173.6-76.1174.9-169.600111.7K36 L37 Q38 S43 K44K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 WeakPolarHBondContact O-CG 3.32Å; K36-E40 PolarHBondContact O-N 2.87Å; L37-E40 PolarHBondContact O-N 3.44Å; Q38-E40 VanDerWaalsContact C-N 3.33Å; Q38-E40 PolarHBondContact O-N 2.91Å; E40-S43 PolarHBondContact O-N 3.48Å; E40-K44 WeakPolarHBondContact O-CG 3.4Å; E40-K44 PolarHBondContact O-N 3.13Å; E40-K44 VanDerWaalsContact O-N 3.09Å
41F97.2Very high94.4Very high3 Ų366 Ų661%0.01334%0.338CS..Hα-helixtrans-63.2-49.2174.7175.2-100.6000111.7L14 F32 L37 Q38 S43 K44 L45 L60 V78L14-F41 HydrophobicContact CD1-CD1 4.46Å; L14-F41 HydrophobicContact CD1-CE1 4.12Å; F32-F41 HydrophobicContact CD1-CB 3.95Å; F32-F41 HydrophobicContact CD1-CG 4.3Å; F32-F41 HydrophobicContact CE1-CB 3.62Å; F32-F41 HydrophobicContact CE1-CD1 4.47Å; F32-F41 AromaticContact CE1-CD2 3.6Å; F32-F41 HydrophobicContact CE1-CD2 3.6Å; F32-F41 HydrophobicContact CE1-CE2 4.38Å; F32-F41 AromaticContact CE1-CG 3.64Å; F32-F41 HydrophobicContact CE1-CG 3.64Å; F32-F41 HydrophobicContact CE2-CD1 4.34Å; F32-F41 HydrophobicContact CE2-CD2 4.27Å; F32-F41 HydrophobicContact CE2-CE1 4.44Å; F32-F41 HydrophobicContact CE2-CE2 4.38Å; F32-F41 HydrophobicContact CE2-CG 4.23Å; F32-F41 HydrophobicContact CE2-CZ 4.45Å; F32-F41 HydrophobicContact CZ-CB 4.12Å; F32-F41 HydrophobicContact CZ-CD1 4.14Å; F32-F41 AromaticContact CZ-CD2 3.36Å; F32-F41 HydrophobicContact CZ-CD2 3.36Å; F32-F41 HydrophobicContact CZ-CE1 4.4Å; F32-F41 AromaticContact CZ-CE2 3.68Å; F32-F41 HydrophobicContact CZ-CE2 3.68Å; F32-F41 AromaticContact CZ-CG 3.6Å; F32-F41 HydrophobicContact CZ-CG 3.6Å; F32-F41 HydrophobicContact CZ-CZ 4.19Å; L37-F41 WeakPolarHBondContact O-CB 3.44Å; L37-F41 PolarHBondContact O-N 3.43Å; Q38-F41 WeakPolarHBondContact O-CB 3.36Å; Q38-F41 PolarHBondContact O-N 3.35Å; F41-S43 VanDerWaalsContact C-N 3.3Å; F41-S43 PolarHBondContact O-N 3.47Å; F41-K44 PolarHBondContact O-N 3.3Å; F41-K44 VanDerWaalsContact O-N 3.14Å; F41-L45 HydrophobicContact CE1-CD2 3.84Å; F41-L45 HydrophobicContact CZ-CD2 4.12Å; F41-L45 WeakPolarHBondContact O-CB 3.36Å; F41-L45 PolarHBondContact O-N 3.16Å; F41-L60 HydrophobicContact CD2-CD2 4.18Å; F41-L60 HydrophobicContact CE2-CD2 3.83Å; F41-L60 HydrophobicContact CE2-CG 4.17Å; F41-L60 HydrophobicContact CZ-CD2 4.48Å; F41-V78 HydrophobicContact CE1-CG2 4.18Å; F41-V78 HydrophobicContact CZ-CG1 4.13Å; F41-V78 HydrophobicContact CZ-CG2 4.22Å
42E97.9Very high93.9Very high4 Ų465 Ų652%0.01933%0.329CS..Hα-helixtrans-55.2-44.7176-74.3166-153.800111.5L14 L16 R22 Y27 Q38 K44 L45 F46L14-E42 HydrophobicContact CD1-CG 4.11Å; L16-E42 HydrophobicContact CD1-CB 4.43Å; L16-E42 HydrophobicContact CD2-CG 4.32Å; R22-E42 IonicContact CZ-OE1 2.68Å; R22-E42 IonicContact CZ-OE2 2.99Å; R22-E42 IonicContact NE-OE1 3.93Å; R22-E42 PolarHBondContact NE-OE1 3.28Å; R22-E42 IonicContact NE-OE2 2.75Å; R22-E42 PolarHBondContact NE-OE2 3.29Å; R22-E42 VanDerWaalsContact NE-OE2 3.11Å; R22-E42 IonicContact NH2-OE1 3.84Å; R22-E42 PolarHBondContact NH2-OE1 3.36Å; R22-E42 IonicContact NH2-OE2 2.65Å; Y27-E42 PolarHBondContact OH-OE1 3.42Å; Q38-E42 WeakPolarHBondContact O-CB 3.45Å; Q38-E42 VanDerWaalsContact O-CG 3.31Å; Q38-E42 WeakPolarHBondContact O-CG 3.46Å; Q38-E42 PolarHBondContact O-N 3.45Å; E42-K44 PolarHBondContact O-N 2.72Å; E42-L45 PolarHBondContact O-N 2.8Å; E42-F46 VanDerWaalsContact O-CB 3.28Å; E42-F46 WeakPolarHBondContact O-CB 3.34Å; E42-F46 PolarHBondContact O-N 2.95Å
43S97.1Very high92.8Very high48 Ų4870.7 Ų70.734%0.33636%0.361SS..Hα-helixtrans-62.9-42.3177.7-171.50000112.5L39 E40 F41 K47L39-S43 WeakPolarHBondContact O-CB 3.35Å; L39-S43 PolarHBondContact O-N 2.99Å; E40-S43 PolarHBondContact O-N 3.48Å; F41-S43 VanDerWaalsContact C-N 3.3Å; F41-S43 PolarHBondContact O-N 3.47Å; S43-K47 WeakPolarHBondContact O-CB 3.47Å; S43-K47 WeakPolarHBondContact O-CD 3.22Å; S43-K47 WeakPolarHBondContact O-CG 3.48Å; S43-K47 PolarHBondContact O-N 3.3Å; S43-K47 VanDerWaalsContact O-N 3.09Å; S43-K47 PolarHBondContact OG-NZ 3.42Å
44K96.2Very high91.6Very high98 Ų9867.6 Ų67.643%0.42635%0.346SS..Hα-helixtrans-65.9-46.2176.4-73.1170.2174.3178.20111.3E40 F41 E42 K47 K48 L60 D61E40-K44 WeakPolarHBondContact O-CG 3.4Å; E40-K44 PolarHBondContact O-N 3.13Å; E40-K44 VanDerWaalsContact O-N 3.09Å; F41-K44 PolarHBondContact O-N 3.3Å; F41-K44 VanDerWaalsContact O-N 3.14Å; E42-K44 PolarHBondContact O-N 2.72Å; K44-K47 PolarHBondContact O-N 2.96Å; K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.13Å; K44-L60 HydrophobicContact CB-CD2 4.06Å; K44-D61 IonicContact NZ-OD1 3.72Å; K44-D61 IonicContact NZ-OD2 3.12Å; K44-D61 PolarHBondContact NZ-OD2 2.84Å
45L95.8Very high90.1Very high0 Ų068.4 Ų68.40%036%0.356CS..Hα-helixtrans-61.7-47.6-179.1-177.358.9000110.8L14 F41 E42 K48 T49 T58 L60 C65 Y76L14-L45 HydrophobicContact CD1-CD2 4Å; F41-L45 HydrophobicContact CE1-CD2 3.84Å; F41-L45 HydrophobicContact CZ-CD2 4.12Å; F41-L45 WeakPolarHBondContact O-CB 3.36Å; F41-L45 PolarHBondContact O-N 3.16Å; E42-L45 PolarHBondContact O-N 2.8Å; L45-K48 PolarHBondContact O-N 3.16Å; L45-T49 HydrophobicContact CD1-CG2 4.01Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 WeakPolarHBondContact O-CG2 3.45Å; L45-T49 PolarHBondContact O-N 3.15Å; L45-T49 PolarHBondContact O-OG1 3.39Å; L45-T58 HydrophobicContact CD1-CG2 4.37Å; L45-L60 HydrophobicContact CB-CD2 3.76Å; L45-L60 HydrophobicContact CD1-CD2 3.98Å; L45-L60 HydrophobicContact CG-CD2 4.47Å; L45-C65 HydrophobicContact CD1-CB 3.74Å; L45-Y76 HydrophobicContact CD1-CD1 4.21Å; L45-Y76 HydrophobicContact CD1-CE1 4.17Å; L45-Y76 HydrophobicContact CD2-CD1 3.5Å; L45-Y76 HydrophobicContact CD2-CE1 3.92Å; L45-Y76 HydrophobicContact CD2-CG 3.85Å; L45-Y76 HydrophobicContact CG-CD1 3.8Å; L45-Y76 HydrophobicContact CG-CE1 3.7Å
46F96.3Very high89.7Confident24 Ų2468.3 Ų68.311%0.10535%0.35CS..Hα-helixtrans-60.2-48.4176.1-176.6-104000111.8L16 D17 S18 G20 E42 K48 T49 S50 Y74L16-F46 HydrophobicContact CD1-CB 4.02Å; L16-F46 HydrophobicContact CD1-CD2 4.29Å; D17-F46 WeakPolarHBondContact O-CE2 3.16Å; S18-F46 WeakPolarHBondContact O-CZ 3.34Å; G20-F46 VanDerWaalsContact CA-CD1 3.44Å; G20-F46 VanDerWaalsContact N-CZ 3.34Å; E42-F46 VanDerWaalsContact O-CB 3.28Å; E42-F46 WeakPolarHBondContact O-CB 3.34Å; E42-F46 PolarHBondContact O-N 2.95Å; F46-K48 PolarHBondContact O-N 3.23Å; F46-T49 PolarHBondContact O-N 2.95Å; F46-S50 WeakPolarHBondContact O-CB 3.34Å; F46-S50 PolarHBondContact O-N 3.12Å; F46-S50 PolarHBondContact O-OG 3.35Å; F46-Y74 HydrophobicContact CD2-CD1 4.48Å; F46-Y74 HydrophobicContact CD2-CG 4.39Å; F46-Y74 HydrophobicContact CE2-CD1 4.16Å; F46-Y74 AromaticContact CE2-CD2 3.83Å; F46-Y74 HydrophobicContact CE2-CD2 3.83Å; F46-Y74 HydrophobicContact CE2-CE1 4.13Å; F46-Y74 AromaticContact CE2-CE2 3.83Å; F46-Y74 HydrophobicContact CE2-CE2 3.83Å; F46-Y74 HydrophobicContact CE2-CG 4.02Å; F46-Y74 AromaticContact CE2-CZ 3.95Å; F46-Y74 HydrophobicContact CZ-CE2 4.45Å
47K94.4Very high89.5Confident141 Ų14165.7 Ų65.761%0.61334%0.342SS*.Hα-helixtrans-58.5-33.8177.7-76.5168.7-176.5163.40113.4S43 K44S43-K47 WeakPolarHBondContact O-CB 3.47Å; S43-K47 WeakPolarHBondContact O-CD 3.22Å; S43-K47 WeakPolarHBondContact O-CG 3.48Å; S43-K47 PolarHBondContact O-N 3.3Å; S43-K47 VanDerWaalsContact O-N 3.09Å; S43-K47 PolarHBondContact OG-NZ 3.42Å; K44-K47 PolarHBondContact O-N 2.96Å
48K92.9Very high89.5Confident101 Ų10163.6 Ų63.644%0.43933%0.332SS..Hα-helixtrans-77.2-34.6-179.8-170.9172.3-174.6179.30112.4K44 L45 F46 T58 L59 L60K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.13Å; L45-K48 PolarHBondContact O-N 3.16Å; F46-K48 PolarHBondContact O-N 3.23Å; K48-T58 HydrophobicContact CD-CG2 4.38Å; K48-T58 WeakPolarHBondContact CE-OG1 3.12Å; K48-T58 PolarHBondContact NZ-OG1 2.97Å; K48-L59 PolarHBondContact NZ-O 3.12Å; K48-L60 HydrophobicContact CD-CD1 4.36Å
49T93.4Very high89.3Confident1 Ų166.9 Ų66.91%0.00635%0.35CS..Hα-helixtrans-102.2-22.9-170.455.60000113.8L45 F46 K51 T52 T58 Y67 Y76L45-T49 HydrophobicContact CD1-CG2 4.01Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 WeakPolarHBondContact O-CG2 3.45Å; L45-T49 PolarHBondContact O-N 3.15Å; L45-T49 PolarHBondContact O-OG1 3.39Å; F46-T49 PolarHBondContact O-N 2.95Å; T49-K51 PolarHBondContact O-N 2.97Å; T49-K51 VanDerWaalsContact O-N 3.13Å; T49-T52 PolarHBondContact O-N 3.29Å; T49-T58 HydrophobicContact CG2-CG2 4.11Å; T49-Y67 HydrophobicContact CG2-CD1 3.62Å; T49-Y67 HydrophobicContact CG2-CD2 4.04Å; T49-Y67 HydrophobicContact CG2-CE1 3.6Å; T49-Y67 HydrophobicContact CG2-CE2 4Å; T49-Y67 HydrophobicContact CG2-CG 3.84Å; T49-Y76 HydrophobicContact CG2-CE1 4.08Å; T49-Y76 WeakPolarHBondContact OG1-CE1 3.33Å; T49-Y76 PolarHBondContact OG1-OH 3.1Å
50S90Very high89.2Confident36 Ų3663.9 Ų63.925%0.25233%0.334SS..THydrogen-bonded Turntrans-65.7-20-173.868.20000115F46F46-S50 WeakPolarHBondContact O-CB 3.34Å; F46-S50 PolarHBondContact O-N 3.12Å; F46-S50 PolarHBondContact O-OG 3.35Å
51K85.3Confident88.9Confident186 Ų18664.5 Ų64.581%0.80934%0.34SS*.THydrogen-bonded Turntrans-89.6-8.8-178.7-63.5-176.3-179.7179.20113.8T49T49-K51 PolarHBondContact O-N 2.97Å; T49-K51 VanDerWaalsContact O-N 3.13Å
52T79.1Confident88.6Confident45 Ų4566.6 Ų66.628%0.27636%0.362SS..SBendtrans-106.1136.2-175.2-45.60000110.1T49 E56 Y67T49-T52 PolarHBondContact O-N 3.29Å; T52-E56 HydrophobicContact CG2-CG 4.44Å; T52-E56 WeakPolarHBondContact CG2-OE1 3.28Å; T52-E56 WeakPolarHBondContact CG2-OE2 3.41Å; T52-Y67 WeakPolarHBondContact CB-OH 3.38Å
53N68.6Low88.5Confident146 Ų14666.8 Ų66.878%0.78137%0.365SS*.  trans-96.1116.6179.4-74-24.6000109.9
54G64.4Low88.4Confident32 Ų3264.8 Ų64.833%0.3335%0.351SS..SBendtrans126.8169.4174.600000113.1N69G54-N69 PolarHBondContact N-OD1 2.95Å; G54-N69 PolarHBondContact O-OD1 2.95Å
55A64.6Low88.4Confident66 Ų6660.1 Ų60.155%0.54533%0.33SS..  trans-79.2120.8170.500000109.6Y67 R68A55-Y67 CarbonylContact C-O 3.57Å; A55-Y67 WeakPolarHBondContact CA-O 3.38Å; A55-Y67 WeakPolarHBondContact CB-O 3.26Å; A55-R68 HydrophobicContact CB-CB 3.94Å; A55-R68 HydrophobicContact CB-CG 4.14Å
56E87.2Confident88.5Confident87 Ų8760.2 Ų60.241%0.40733%0.331SS..EExtended strand (participates in β ladder)trans-139.1172.1-179.5-49.8-17515600112.2T52 V66 Y67T52-E56 HydrophobicContact CG2-CG 4.44Å; T52-E56 WeakPolarHBondContact CG2-OE1 3.28Å; T52-E56 WeakPolarHBondContact CG2-OE2 3.41Å; E56-V66 WeakPolarHBondContact O-CA 3.45Å; E56-Y67 HydrophobicContact CB-CD1 4.45Å; E56-Y67 HydrophobicContact CB-CE1 3.58Å; E56-Y67 HydrophobicContact CB-CE2 4.46Å; E56-Y67 PolarHBondContact N-O 3.32Å; E56-Y67 VanDerWaalsContact N-O 3.11Å; E56-Y67 WeakPolarHBondContact O-CD1 3.29Å; E56-Y67 WeakPolarHBondContact O-CE1 3.44Å; E56-Y67 PolarHBondContact O-N 3.45Å; E56-Y67 PolarHBondContact OE2-OH 3.46Å
57I92.6Very high88.5Confident90 Ų9059.2 Ų59.246%0.46233%0.326SS..EExtended strand (participates in β ladder)trans-111.9135.2179.9-52.5167.6000107.6T64 C65 V66 E85 V89I57-T64 HydrophobicContact CG2-CG2 3.98Å; I57-C65 CarbonylContact C-O 3.52Å; I57-C65 WeakPolarHBondContact CA-O 3.49Å; I57-V66 HydrophobicContact CG1-CG1 4Å; I57-V66 HydrophobicContact CG2-CG1 4.27Å; I57-E85 HydrophobicContact CD1-CB 3.94Å; I57-E85 HydrophobicContact CG2-CG 4.24Å; I57-V89 HydrophobicContact CD1-CG2 4.3Å; I57-V89 HydrophobicContact CG1-CG2 4.31Å
58T94.3Very high88.5Confident27 Ų2755.1 Ų55.117%0.16631%0.307CS..EExtended strand (participates in β ladder)trans-143.3145.6174-159.40000111.7L45 K48 T49 C65 Y67L45-T58 HydrophobicContact CD1-CG2 4.37Å; K48-T58 HydrophobicContact CD-CG2 4.38Å; K48-T58 WeakPolarHBondContact CE-OG1 3.12Å; K48-T58 PolarHBondContact NZ-OG1 2.97Å; T49-T58 HydrophobicContact CG2-CG2 4.11Å; T58-C65 HydrophobicContact CG2-CB 4Å; T58-C65 PolarHBondContact N-O 3.27Å; T58-C65 WeakPolarHBondContact O-CB 3.23Å; T58-C65 PolarHBondContact O-N 3.2Å; T58-Y67 HydrophobicContact CG2-CE1 4.39Å
59L94.4Very high88.5Confident100 Ų10052 Ų5252%0.52430%0.295SS..EExtended strand (participates in β ladder)trans-92.2129171.7-170.272.8000109.6K48 A63 A81K48-L59 PolarHBondContact NZ-O 3.12Å; L59-A63 WeakPolarHBondContact CA-O 3.27Å; L59-A81 HydrophobicContact CD1-CB 4.02Å
60L94.1Very high88.5Confident21 Ų2153.5 Ų53.511%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-142.1127.5177.4179.666.7000110.2F41 K44 L45 K48 G62 A63F41-L60 HydrophobicContact CD2-CD2 4.18Å; F41-L60 HydrophobicContact CE2-CD2 3.83Å; F41-L60 HydrophobicContact CE2-CG 4.17Å; F41-L60 HydrophobicContact CZ-CD2 4.48Å; K44-L60 HydrophobicContact CB-CD2 4.06Å; L45-L60 HydrophobicContact CB-CD2 3.76Å; L45-L60 HydrophobicContact CD1-CD2 3.98Å; L45-L60 HydrophobicContact CG-CD2 4.47Å; K48-L60 HydrophobicContact CD-CD1 4.36Å; L60-G62 PolarHBondContact O-N 3.17Å; L60-A63 PolarHBondContact N-O 3.38Å; L60-A63 WeakPolarHBondContact O-CB 3.24Å; L60-A63 PolarHBondContact O-N 3.47Å
61D91.4Very high88.6Confident99 Ų9955 Ų5553%0.52933%0.326SS..THydrogen-bonded Turntrans50.732.1177.6-65-6.6000113.9K44 A63K44-D61 IonicContact NZ-OD1 3.72Å; K44-D61 IonicContact NZ-OD2 3.12Å; K44-D61 PolarHBondContact NZ-OD2 2.84Å; D61-A63 VanDerWaalsContact C-N 3.33Å
62G91.7Very high89Confident46 Ų4648.7 Ų48.747%0.47430%0.301SS..THydrogen-bonded Turntrans80.99.2-177.700000114.9L60 A81L60-G62 PolarHBondContact O-N 3.17Å; G62-A81 WeakPolarHBondContact O-CA 3.27Å; G62-A81 WeakPolarHBondContact O-CB 3.44Å; G62-A81 PolarHBondContact O-N 2.93Å
63A94.5Very high89.8Confident9 Ų946.5 Ų46.57%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-111.9136.4175.700000111L59 L60 D61 V78 G79L59-A63 WeakPolarHBondContact CA-O 3.27Å; L60-A63 PolarHBondContact N-O 3.38Å; L60-A63 WeakPolarHBondContact O-CB 3.24Å; L60-A63 PolarHBondContact O-N 3.47Å; D61-A63 VanDerWaalsContact C-N 3.33Å; A63-V78 HydrophobicContact CB-CG1 3.62Å; A63-G79 CarbonylContact C-O 3.59Å; A63-G79 WeakPolarHBondContact CA-O 3.45Å
64T95.7Very high91.2Very high6 Ų640.9 Ų40.94%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-84.2113.2173.3-64.90000108.9I57 V78 G79 D80 A81 E85 L88I57-T64 HydrophobicContact CG2-CG2 3.98Å; T64-V78 WeakPolarHBondContact O-CA 3.45Å; T64-G79 PolarHBondContact N-O 3.43Å; T64-G79 PolarHBondContact O-N 3.32Å; T64-D80 WeakPolarHBondContact CB-O 3.49Å; T64-D80 PolarHBondContact OG1-O 2.7Å; T64-A81 WeakPolarHBondContact OG1-CA 3.3Å; T64-A81 PolarHBondContact OG1-O 2.89Å; T64-E85 HydrophobicContact CG2-CG 3.71Å; T64-L88 HydrophobicContact CG2-CD1 3.9Å
65C96.2Very high92.8Very high0 Ų039.3 Ų39.30%024%0.24CC..EExtended strand (participates in β ladder)trans-109.2118.7-176.2-54.20000109.1L45 I57 T58 V78L45-C65 HydrophobicContact CD1-CB 3.74Å; I57-C65 CarbonylContact C-O 3.52Å; I57-C65 WeakPolarHBondContact CA-O 3.49Å; T58-C65 HydrophobicContact CG2-CB 4Å; T58-C65 PolarHBondContact N-O 3.27Å; T58-C65 WeakPolarHBondContact O-CB 3.23Å; T58-C65 PolarHBondContact O-N 3.2Å; C65-V78 HydrophobicContact CB-CG2 4.44Å
66V96.7Very high94.3Very high1 Ų136.2 Ų36.21%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-100.7138.9167.9-53.40000108.3E56 I57 Y76 V77 L88 V89 L92E56-V66 WeakPolarHBondContact O-CA 3.45Å; I57-V66 HydrophobicContact CG1-CG1 4Å; I57-V66 HydrophobicContact CG2-CG1 4.27Å; V66-Y76 WeakPolarHBondContact O-CA 3.47Å; V66-V77 HydrophobicContact CG2-CB 3.72Å; V66-V77 WeakPolarHBondContact CG2-O 3.45Å; V66-V77 PolarHBondContact N-O 3.48Å; V66-V77 PolarHBondContact O-N 3.26Å; V66-L88 HydrophobicContact CB-CB 4.46Å; V66-L88 HydrophobicContact CG1-CB 3.76Å; V66-L88 HydrophobicContact CG1-CD1 4.4Å; V66-L88 HydrophobicContact CG2-CB 3.77Å; V66-L88 WeakPolarHBondContact CG2-O 3.35Å; V66-V89 HydrophobicContact CB-CG2 4.33Å; V66-V89 HydrophobicContact CG1-CG2 3.97Å; V66-L92 HydrophobicContact CB-CD2 4.16Å; V66-L92 HydrophobicContact CG2-CB 3.91Å; V66-L92 HydrophobicContact CG2-CD2 3.9Å; V66-L92 HydrophobicContact CG2-CG 4.48Å
67Y96.5Very high94.8Very high4 Ų432 Ų322%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-142.7158.6-173.969.6-84.6000112.6T49 T52 A55 E56 T58 F75 Y76 L92T49-Y67 HydrophobicContact CG2-CD1 3.62Å; T49-Y67 HydrophobicContact CG2-CD2 4.04Å; T49-Y67 HydrophobicContact CG2-CE1 3.6Å; T49-Y67 HydrophobicContact CG2-CE2 4Å; T49-Y67 HydrophobicContact CG2-CG 3.84Å; T52-Y67 WeakPolarHBondContact CB-OH 3.38Å; A55-Y67 CarbonylContact C-O 3.57Å; A55-Y67 WeakPolarHBondContact CA-O 3.38Å; A55-Y67 WeakPolarHBondContact CB-O 3.26Å; E56-Y67 HydrophobicContact CB-CD1 4.45Å; E56-Y67 HydrophobicContact CB-CE1 3.58Å; E56-Y67 HydrophobicContact CB-CE2 4.46Å; E56-Y67 PolarHBondContact N-O 3.32Å; E56-Y67 VanDerWaalsContact N-O 3.11Å; E56-Y67 WeakPolarHBondContact O-CD1 3.29Å; E56-Y67 WeakPolarHBondContact O-CE1 3.44Å; E56-Y67 PolarHBondContact O-N 3.45Å; E56-Y67 PolarHBondContact OE2-OH 3.46Å; T58-Y67 HydrophobicContact CG2-CE1 4.39Å; Y67-F75 CarbonylContact C-O 3.45Å; Y67-F75 WeakPolarHBondContact CA-O 3.38Å; Y67-Y76 VanDerWaalsContact CB-CE1 3.41Å; Y67-Y76 HydrophobicContact CG-CD1 4.4Å; Y67-Y76 HydrophobicContact CG-CE1 4.12Å; Y67-L92 VanDerWaalsContact C-CD2 3.47Å
68R94.9Very high95.1Very high54 Ų5427.8 Ų27.820%0.20417%0.172CC..EExtended strand (participates in β ladder)trans-148.6130.9173.7178.2176.2-174.6165.4-0.9109.5A55 V70 F75 L92A55-R68 HydrophobicContact CB-CB 3.94Å; A55-R68 HydrophobicContact CB-CG 4.14Å; R68-V70 HydrophobicContact CG-CG2 4.21Å; R68-F75 PolarHBondContact N-O 2.96Å; R68-F75 PolarHBondContact O-N 3.47Å; R68-L92 HydrophobicContact CB-CD1 4.44Å; R68-L92 HydrophobicContact CB-CD2 4.04Å; R68-L92 HydrophobicContact CB-CG 4.42Å
69N93Very high95.2Very high35 Ų3526.5 Ų26.519%0.18716%0.164CC..EExtended strand (participates in β ladder)trans-103.6137172.266.4-57.3000111.1G54 L73 Y74G54-N69 PolarHBondContact N-OD1 2.95Å; G54-N69 PolarHBondContact O-OD1 2.95Å; N69-L73 WeakPolarHBondContact CA-O 3.41Å; N69-Y74 HydrophobicContact CB-CD1 3.67Å; N69-Y74 HydrophobicContact CB-CE1 3.61Å; N69-Y74 HydrophobicContact CB-CG 4.34Å
70V92.5Very high95.2Very high34 Ų3425.2 Ų25.221%0.20616%0.158CC..EExtended strand (participates in β ladder)trans-141.6118.2172.9177.80000108.8R68 D72 L73 Y96 V107R68-V70 HydrophobicContact CG-CG2 4.21Å; V70-D72 PolarHBondContact O-N 3.09Å; V70-L73 PolarHBondContact N-O 3.31Å; V70-L73 PolarHBondContact O-N 2.98Å; V70-Y96 HydrophobicContact CB-CE2 4.08Å; V70-Y96 HydrophobicContact CG1-CE2 4.22Å; V70-Y96 HydrophobicContact CG2-CD2 4.12Å; V70-Y96 HydrophobicContact CG2-CE2 3.45Å; V70-Y96 VanDerWaalsContact CG2-CE2 3.45Å; V70-V107 HydrophobicContact CG1-CB 4.31Å; V70-V107 HydrophobicContact CG1-CG1 4.38Å
71G92Very high95.1Very high68 Ų6826.2 Ų26.270%0.70117%0.169SC*.THydrogen-bonded Turntrans59.3-119.8-176.500000111.5
72D95Very high95.1Very high52 Ų5227.7 Ų27.728%0.27818%0.177SC..THydrogen-bonded Turntrans-100.314.9178.763-11000113.8D17 S18 V70 K109D17-D72 CarbonylContact C-O 3.58Å; D17-D72 WeakPolarHBondContact CA-O 3.09Å; S18-D72 PolarHBondContact N-O 3.48Å; V70-D72 PolarHBondContact O-N 3.09Å; D72-K109 PolarHBondContact OD1-N 2.88Å; D72-K109 WeakPolarHBondContact OD2-CB 3.39Å
73L96.6Very high95.2Very high0 Ų026.6 Ų26.60%016%0.16CC..EExtended strand (participates in β ladder)trans-118.3142-178.1-68.1170.8000112.4I15 I23 N69 V70 F75 V107 K109 L112I15-L73 HydrophobicContact CG2-CD2 4.22Å; I23-L73 HydrophobicContact CD1-CD2 3.27Å; N69-L73 WeakPolarHBondContact CA-O 3.41Å; V70-L73 PolarHBondContact N-O 3.31Å; V70-L73 PolarHBondContact O-N 2.98Å; L73-F75 HydrophobicContact CB-CE2 3.78Å; L73-F75 HydrophobicContact CB-CZ 4.31Å; L73-F75 HydrophobicContact CD1-CE2 4.46Å; L73-F75 HydrophobicContact CD1-CZ 4.28Å; L73-V107 HydrophobicContact CD1-CG1 3.76Å; L73-K109 HydrophobicContact CD2-CB 4.14Å; L73-L112 HydrophobicContact CD1-CB 4.11Å; L73-L112 HydrophobicContact CD1-CD1 3.47Å; L73-L112 VanDerWaalsContact CD1-CD1 3.47Å; L73-L112 HydrophobicContact CD1-CG 4.42Å; L73-L112 HydrophobicContact CD2-CD1 3.92Å; L73-L112 HydrophobicContact CG-CD1 4.31Å
74Y96.5Very high95.1Very high27 Ų2730.3 Ų30.311%0.10618%0.178CC..EExtended strand (participates in β ladder)trans-128.2114.1-179.6-66.5-102.8000109.7I15 L16 F46 N69I15-Y74 CarbonylContact C-O 3.5Å; I15-Y74 WeakPolarHBondContact CA-O 3.27Å; L16-Y74 PolarHBondContact N-O 2.77Å; L16-Y74 PolarHBondContact O-N 3.25Å; F46-Y74 HydrophobicContact CD2-CD1 4.48Å; F46-Y74 HydrophobicContact CD2-CG 4.39Å; F46-Y74 HydrophobicContact CE2-CD1 4.16Å; F46-Y74 AromaticContact CE2-CD2 3.83Å; F46-Y74 HydrophobicContact CE2-CD2 3.83Å; F46-Y74 HydrophobicContact CE2-CE1 4.13Å; F46-Y74 AromaticContact CE2-CE2 3.83Å; F46-Y74 HydrophobicContact CE2-CE2 3.83Å; F46-Y74 HydrophobicContact CE2-CG 4.02Å; F46-Y74 AromaticContact CE2-CZ 3.95Å; F46-Y74 HydrophobicContact CZ-CE2 4.45Å; N69-Y74 HydrophobicContact CB-CD1 3.67Å; N69-Y74 HydrophobicContact CB-CE1 3.61Å; N69-Y74 HydrophobicContact CB-CG 4.34Å
75F97.6Very high95Very high0 Ų034.1 Ų34.10%020%0.196CC..EExtended strand (participates in β ladder)trans-99.9136.7-178.9-61.5-98.7000109.8I15 Y67 R68 L73 L92 L95 Y96 V99 V107 L112I15-F75 HydrophobicContact CD1-CD1 4.03Å; I15-F75 HydrophobicContact CD1-CE1 3.86Å; I15-F75 HydrophobicContact CG1-CD1 3.93Å; I15-F75 HydrophobicContact CG1-CE1 4.2Å; I15-F75 HydrophobicContact CG2-CD1 4.48Å; I15-F75 HydrophobicContact CG2-CE1 4.34Å; Y67-F75 CarbonylContact C-O 3.45Å; Y67-F75 WeakPolarHBondContact CA-O 3.38Å; R68-F75 PolarHBondContact N-O 2.96Å; R68-F75 PolarHBondContact O-N 3.47Å; L73-F75 HydrophobicContact CB-CE2 3.78Å; L73-F75 HydrophobicContact CB-CZ 4.31Å; L73-F75 HydrophobicContact CD1-CE2 4.46Å; L73-F75 HydrophobicContact CD1-CZ 4.28Å; F75-L92 HydrophobicContact CB-CD1 3.7Å; F75-L95 HydrophobicContact CD1-CD2 4.14Å; F75-L95 HydrophobicContact CD1-CG 4.28Å; F75-Y96 HydrophobicContact CE2-CD2 4.26Å; F75-V99 HydrophobicContact CE1-CB 4.43Å; F75-V99 HydrophobicContact CE1-CG1 4.19Å; F75-V99 HydrophobicContact CE1-CG2 4.35Å; F75-V99 HydrophobicContact CZ-CG1 4.18Å; F75-V107 HydrophobicContact CE2-CG1 4.19Å; F75-V107 HydrophobicContact CZ-CG1 4Å; F75-L112 HydrophobicContact CZ-CD1 4.33Å
76Y97.8Very high94.9Very high0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-136.6140.9179.4-55.8-91.2000111.2I13 L14 L16 L45 T49 V66 Y67I13-Y76 WeakPolarHBondContact CA-O 3.33Å; L14-Y76 HydrophobicContact CB-CD2 4.15Å; L14-Y76 PolarHBondContact N-O 3.49Å; L14-Y76 PolarHBondContact O-N 3.33Å; L16-Y76 HydrophobicContact CB-CE2 4.32Å; L16-Y76 HydrophobicContact CD1-CD2 4.37Å; L16-Y76 HydrophobicContact CD1-CE2 3.73Å; L16-Y76 HydrophobicContact CG-CD2 4.25Å; L16-Y76 HydrophobicContact CG-CE2 3.86Å; L45-Y76 HydrophobicContact CD1-CD1 4.21Å; L45-Y76 HydrophobicContact CD1-CE1 4.17Å; L45-Y76 HydrophobicContact CD2-CD1 3.5Å; L45-Y76 HydrophobicContact CD2-CE1 3.92Å; L45-Y76 HydrophobicContact CD2-CG 3.85Å; L45-Y76 HydrophobicContact CG-CD1 3.8Å; L45-Y76 HydrophobicContact CG-CE1 3.7Å; T49-Y76 HydrophobicContact CG2-CE1 4.08Å; T49-Y76 WeakPolarHBondContact OG1-CE1 3.33Å; T49-Y76 PolarHBondContact OG1-OH 3.1Å; V66-Y76 WeakPolarHBondContact O-CA 3.47Å; Y67-Y76 VanDerWaalsContact CB-CE1 3.41Å; Y67-Y76 HydrophobicContact CG-CD1 4.4Å; Y67-Y76 HydrophobicContact CG-CE1 4.12Å
77V98Very high94.8Very high0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-125.7132.9163.2-178.30000107.3I10 I13 V66 L88 A91 L92I10-V77 HydrophobicContact CD1-CG1 4.13Å; I10-V77 HydrophobicContact CG1-CG1 4.09Å; I10-V77 HydrophobicContact CG2-CG1 3.98Å; I13-V77 HydrophobicContact CG1-CG2 4.39Å; V66-V77 HydrophobicContact CG2-CB 3.72Å; V66-V77 WeakPolarHBondContact CG2-O 3.45Å; V66-V77 PolarHBondContact N-O 3.48Å; V66-V77 PolarHBondContact O-N 3.26Å; V77-L88 HydrophobicContact CG1-CD2 4.12Å; V77-A91 HydrophobicContact CG1-CB 4.29Å; V77-L92 HydrophobicContact CB-CB 4.42Å; V77-L92 HydrophobicContact CG2-CB 3.85Å; V77-L92 HydrophobicContact CG2-CD1 4.16Å
78V97.6Very high94.9Very high0 Ų043.2 Ų43.20%024%0.243CC..EExtended strand (participates in β ladder)trans-123.6127.2-172.9-175.60000109.5N11 S12 F41 A63 T64 C65N11-V78 PolarHBondContact N-O 2.93Å; S12-V78 PolarHBondContact N-O 3.47Å; S12-V78 PolarHBondContact O-N 3.02Å; S12-V78 WeakPolarHBondContact OG-CB 3.06Å; F41-V78 HydrophobicContact CE1-CG2 4.18Å; F41-V78 HydrophobicContact CZ-CG1 4.13Å; F41-V78 HydrophobicContact CZ-CG2 4.22Å; A63-V78 HydrophobicContact CB-CG1 3.62Å; T64-V78 WeakPolarHBondContact O-CA 3.45Å; C65-V78 HydrophobicContact CB-CG2 4.44Å
79G96.6Very high94.9Very high0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-117.3173172.400000111.6N11 A63 T64N11-G79 WeakPolarHBondContact OD1-CA 3.4Å; A63-G79 CarbonylContact C-O 3.59Å; A63-G79 WeakPolarHBondContact CA-O 3.45Å; T64-G79 PolarHBondContact N-O 3.43Å; T64-G79 PolarHBondContact O-N 3.32Å
80D94.4Very high95.1Very high74 Ų7444 Ų4440%0.39626%0.257SS..EExtended strand (participates in β ladder)trans-65.3162.1170.7-67.4-33.8000110.8N11 T64 N82 E83N11-D80 PolarHBondContact ND2-OD1 2.77Å; N11-D80 PolarHBondContact OD1-N 3.49Å; T64-D80 WeakPolarHBondContact CB-O 3.49Å; T64-D80 PolarHBondContact OG1-O 2.7Å; D80-N82 PolarHBondContact O-N 2.81Å; D80-E83 HydrophobicContact CB-CG 3.97Å; D80-E83 VanDerWaalsContact N-CG 3.33Å; D80-E83 WeakPolarHBondContact O-CB 3.38Å; D80-E83 PolarHBondContact O-N 2.64Å
81A92.8Very high95.3Very high41 Ų4142.4 Ų42.434%0.33925%0.248SC..THydrogen-bonded Turntrans-52.7-27.518000000115.1L59 G62 T64L59-A81 HydrophobicContact CD1-CB 4.02Å; G62-A81 WeakPolarHBondContact O-CA 3.27Å; G62-A81 WeakPolarHBondContact O-CB 3.44Å; G62-A81 PolarHBondContact O-N 2.93Å; T64-A81 WeakPolarHBondContact OG1-CA 3.3Å; T64-A81 PolarHBondContact OG1-O 2.89Å
82N91.3Very high95.6Very high131 Ų13139.5 Ų39.570%0.70122%0.216SC*.THydrogen-bonded Turntrans-104.75.8-177.8-57.3-52.4000113L3 D80L3-N82 HydrophobicContact CD2-CB 4.39Å; D80-N82 PolarHBondContact O-N 2.81Å
83E92.6Very high95.7Very high23 Ų2341 Ų4111%0.10722%0.221CC..SBendtrans-67.8150.9178.3-78-57.9144.200111.9S9 D80 E85 L88S9-E83 WeakPolarHBondContact CB-OE2 3.15Å; D80-E83 HydrophobicContact CB-CG 3.97Å; D80-E83 VanDerWaalsContact N-CG 3.33Å; D80-E83 WeakPolarHBondContact O-CB 3.38Å; D80-E83 PolarHBondContact O-N 2.64Å; E83-E85 PolarHBondContact O-N 3.38Å; E83-E85 VanDerWaalsContact O-N 3.14Å; E83-L88 HydrophobicContact CB-CD1 4.23Å
84N92.6Very high95.7Very high86 Ų8641.1 Ų41.146%0.4622%0.222SC..  trans-69.5112.1179.7-175.1-35.3000110.3L86 L87 L88N84-L86 VanDerWaalsContact C-N 3.26Å; N84-L86 PolarHBondContact O-N 2.9Å; N84-L86 VanDerWaalsContact OD1-CB 3.3Å; N84-L86 WeakPolarHBondContact OD1-CB 3.31Å; N84-L86 PolarHBondContact OD1-N 3.48Å; N84-L87 HydrophobicContact CB-CB 4.16Å; N84-L87 WeakPolarHBondContact O-CB 3.4Å; N84-L87 PolarHBondContact O-N 3.26Å; N84-L87 PolarHBondContact OD1-N 2.83Å; N84-L88 PolarHBondContact O-N 3.41Å
85E94.1Very high95.8Very high87 Ų8739.8 Ų39.841%0.40722%0.217SC..Hα-helixtrans-66.5-29.8-174.6-53.896.3146.700112.3I57 T64 E83 L87 L88 V89I57-E85 HydrophobicContact CD1-CB 3.94Å; I57-E85 HydrophobicContact CG2-CG 4.24Å; T64-E85 HydrophobicContact CG2-CG 3.71Å; E83-E85 PolarHBondContact O-N 3.38Å; E83-E85 VanDerWaalsContact O-N 3.14Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.15Å; E85-L88 PolarHBondContact O-N 2.73Å; E85-V89 WeakPolarHBondContact O-CB 3.29Å; E85-V89 VanDerWaalsContact O-CG2 3.25Å; E85-V89 WeakPolarHBondContact O-CG2 3.37Å; E85-V89 PolarHBondContact O-N 3.32Å
86L94.2Very high95.8Very high138 Ų13841.3 Ų41.372%0.72322%0.223SC*.Hα-helixtrans-65.2-35.7175.1-62.6175.4000111.6N84 S90N84-L86 VanDerWaalsContact C-N 3.26Å; N84-L86 PolarHBondContact O-N 2.9Å; N84-L86 VanDerWaalsContact OD1-CB 3.3Å; N84-L86 WeakPolarHBondContact OD1-CB 3.31Å; N84-L86 PolarHBondContact OD1-N 3.48Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.06Å
87L94.9Very high95.7Very high57 Ų5744.2 Ų44.230%0.29824%0.239SC..Hα-helixtrans-65.3-47.6174.5-176.5154.5000110.3S9 N84 E85 V89 S90 A91 L132S9-L87 WeakPolarHBondContact OG-CD2 3.28Å; N84-L87 HydrophobicContact CB-CB 4.16Å; N84-L87 WeakPolarHBondContact O-CB 3.4Å; N84-L87 PolarHBondContact O-N 3.26Å; N84-L87 PolarHBondContact OD1-N 2.83Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 3.15Å; L87-V89 VanDerWaalsContact C-N 3.35Å; L87-V89 PolarHBondContact O-N 3.03Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 2.98Å; L87-S90 VanDerWaalsContact O-N 3.16Å; L87-A91 PolarHBondContact O-N 3.32Å; L87-L132 HydrophobicContact CD2-CD2 3.99Å; L87-L132 HydrophobicContact CG-CD2 4.12Å
88L97Very high95.6Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-61.6-43.1178.3-58.6178.1000111.5I10 T64 V66 V77 E83 N84 E85 S90 A91 L92I10-L88 HydrophobicContact CG1-CD2 4.17Å; T64-L88 HydrophobicContact CG2-CD1 3.9Å; V66-L88 HydrophobicContact CB-CB 4.46Å; V66-L88 HydrophobicContact CG1-CB 3.76Å; V66-L88 HydrophobicContact CG1-CD1 4.4Å; V66-L88 HydrophobicContact CG2-CB 3.77Å; V66-L88 WeakPolarHBondContact CG2-O 3.35Å; V77-L88 HydrophobicContact CG1-CD2 4.12Å; E83-L88 HydrophobicContact CB-CD1 4.23Å; N84-L88 PolarHBondContact O-N 3.41Å; E85-L88 PolarHBondContact O-N 2.73Å; L88-S90 VanDerWaalsContact C-N 3.31Å; L88-S90 PolarHBondContact O-N 3.4Å; L88-A91 PolarHBondContact O-N 2.79Å; L88-L92 PolarHBondContact O-N 3.47Å
89V96.1Very high95.6Very high59 Ų5944.2 Ų44.236%0.35824%0.239SC..Hα-helixtrans-60.9-41.6174.8169.20000110.9I57 V66 E85 L87 A91 L92 Q93I57-V89 HydrophobicContact CD1-CG2 4.3Å; I57-V89 HydrophobicContact CG1-CG2 4.31Å; V66-V89 HydrophobicContact CB-CG2 4.33Å; V66-V89 HydrophobicContact CG1-CG2 3.97Å; E85-V89 WeakPolarHBondContact O-CB 3.29Å; E85-V89 VanDerWaalsContact O-CG2 3.25Å; E85-V89 WeakPolarHBondContact O-CG2 3.37Å; E85-V89 PolarHBondContact O-N 3.32Å; L87-V89 VanDerWaalsContact C-N 3.35Å; L87-V89 PolarHBondContact O-N 3.03Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.8Å; V89-Q93 VanDerWaalsContact O-CB 3.32Å; V89-Q93 WeakPolarHBondContact O-CB 3.49Å; V89-Q93 PolarHBondContact O-N 2.68Å
90S96.1Very high95.5Very high47 Ų4745.1 Ų45.133%0.32925%0.245SC..Hα-helixtrans-61.5-41.9176-168.80000112L86 L87 L88 Q93 C94 S135L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.06Å; L87-S90 WeakPolarHBondContact O-CB 3.49Å; L87-S90 PolarHBondContact O-N 2.98Å; L87-S90 VanDerWaalsContact O-N 3.16Å; L88-S90 VanDerWaalsContact C-N 3.31Å; L88-S90 PolarHBondContact O-N 3.4Å; S90-Q93 PolarHBondContact O-N 2.95Å; S90-C94 WeakPolarHBondContact O-CB 3.49Å; S90-C94 PolarHBondContact O-N 2.94Å; S90-S135 WeakPolarHBondContact OG-CB 3.36Å
91A97.8Very high95.6Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-64.8-44.7176.100000111.7I10 V77 L87 L88 V89 Q93 C94 L95 L132I10-A91 HydrophobicContact CD1-CB 3.95Å; V77-A91 HydrophobicContact CG1-CB 4.29Å; L87-A91 PolarHBondContact O-N 3.32Å; L88-A91 PolarHBondContact O-N 2.79Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.47Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.24Å; A91-C94 PolarHBondContact O-N 3.41Å; A91-L95 WeakPolarHBondContact O-CB 3.43Å; A91-L95 PolarHBondContact O-N 3.29Å; A91-L132 HydrophobicContact CB-CD1 3.65Å; A91-L132 HydrophobicContact CB-CD2 4.19Å
92L97.7Very high95.6Very high8 Ų844.3 Ų44.34%0.04224%0.235CC..Hα-helixtrans-62.1-41.2177176.866.8000112V66 Y67 R68 F75 V77 L88 V89 L95 Y96V66-L92 HydrophobicContact CB-CD2 4.16Å; V66-L92 HydrophobicContact CG2-CB 3.91Å; V66-L92 HydrophobicContact CG2-CD2 3.9Å; V66-L92 HydrophobicContact CG2-CG 4.48Å; Y67-L92 VanDerWaalsContact C-CD2 3.47Å; R68-L92 HydrophobicContact CB-CD1 4.44Å; R68-L92 HydrophobicContact CB-CD2 4.04Å; R68-L92 HydrophobicContact CB-CG 4.42Å; F75-L92 HydrophobicContact CB-CD1 3.7Å; V77-L92 HydrophobicContact CB-CB 4.42Å; V77-L92 HydrophobicContact CG2-CB 3.85Å; V77-L92 HydrophobicContact CG2-CD1 4.16Å; L88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.8Å; L92-L95 WeakPolarHBondContact O-CB 3.37Å; L92-L95 PolarHBondContact O-N 2.89Å; L92-Y96 PolarHBondContact O-N 2.95Å
93Q96.7Very high95.7Very high82 Ų8238.6 Ų38.638%0.38320%0.204SC..Hα-helixtrans-65.3-47.3177.5-176.766.812.200110.9V89 S90 A91 L95 Y96 D97V89-Q93 VanDerWaalsContact O-CB 3.32Å; V89-Q93 WeakPolarHBondContact O-CB 3.49Å; V89-Q93 PolarHBondContact O-N 2.68Å; S90-Q93 PolarHBondContact O-N 2.95Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 3.24Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3.34Å; Q93-Y96 PolarHBondContact O-N 3.46Å; Q93-D97 PolarHBondContact NE2-OD1 3.45Å; Q93-D97 PolarHBondContact NE2-OD2 3.32Å; Q93-D97 WeakPolarHBondContact O-CB 3.32Å; Q93-D97 PolarHBondContact O-N 2.94Å
94C97.7Very high95.7Very high3 Ų344.5 Ų44.52%0.0223%0.229CC..Hα-helixtrans-57.8-44.9175.2-175.90000111.8S90 A91 S98 L126 S135S90-C94 WeakPolarHBondContact O-CB 3.49Å; S90-C94 PolarHBondContact O-N 2.94Å; A91-C94 PolarHBondContact O-N 3.41Å; C94-S98 VanDerWaalsContact O-CB 3.23Å; C94-S98 WeakPolarHBondContact O-CB 3.28Å; C94-S98 PolarHBondContact O-N 3.04Å; C94-S98 PolarHBondContact O-OG 3.43Å; C94-L126 HydrophobicContact CB-CD1 3.88Å; C94-S135 WeakPolarHBondContact CB-O 3.2Å
95L98Very high95.7Very high0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-55.9-54.9174.9178.458.6000111.3I13 F75 A91 L92 Q93 S98 V99 I122 V123 L126I13-L95 HydrophobicContact CG2-CD2 3.72Å; F75-L95 HydrophobicContact CD1-CD2 4.14Å; F75-L95 HydrophobicContact CD1-CG 4.28Å; A91-L95 WeakPolarHBondContact O-CB 3.43Å; A91-L95 PolarHBondContact O-N 3.29Å; L92-L95 WeakPolarHBondContact O-CB 3.37Å; L92-L95 PolarHBondContact O-N 2.89Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-L95 PolarHBondContact O-N 3.34Å; L95-S98 PolarHBondContact O-N 3.21Å; L95-V99 HydrophobicContact CD1-CG2 4.15Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 VanDerWaalsContact O-CG2 3.27Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.99Å; L95-I122 HydrophobicContact CD1-CG2 4.16Å; L95-V123 HydrophobicContact CD1-CG2 3.88Å; L95-L126 HydrophobicContact CB-CD2 3.65Å; L95-L126 HydrophobicContact CD1-CD2 3.95Å; L95-L126 HydrophobicContact CD2-CD2 4.5Å; L95-L126 HydrophobicContact CG-CD2 4.23Å
96Y96.8Very high95.5Very high32 Ų3249.4 Ų49.413%0.12525%0.246CC..Hα-helixtrans-62.7-46.3-177.7170.1-93.3000112V70 F75 L92 Q93 S98 V99 S100 V107V70-Y96 HydrophobicContact CB-CE2 4.08Å; V70-Y96 HydrophobicContact CG1-CE2 4.22Å; V70-Y96 HydrophobicContact CG2-CD2 4.12Å; V70-Y96 HydrophobicContact CG2-CE2 3.45Å; V70-Y96 VanDerWaalsContact CG2-CE2 3.45Å; F75-Y96 HydrophobicContact CE2-CD2 4.26Å; L92-Y96 PolarHBondContact O-N 2.95Å; Q93-Y96 PolarHBondContact O-N 3.46Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.32Å; Y96-V99 PolarHBondContact O-N 2.91Å; Y96-S100 VanDerWaalsContact O-CB 3.24Å; Y96-S100 WeakPolarHBondContact O-CB 3.37Å; Y96-S100 PolarHBondContact O-N 3.01Å; Y96-V107 HydrophobicContact CE2-CG1 4.38Å; Y96-V107 HydrophobicContact CE2-CG2 4.39Å
97D96.4Very high95.6Very high61 Ų6143.6 Ų43.633%0.32622%0.216SC..Hα-helixtrans-65.4-38.8-177.4-71.9-22.6000110.8Q93 S100 Q101 A137Q93-D97 PolarHBondContact NE2-OD1 3.45Å; Q93-D97 PolarHBondContact NE2-OD2 3.32Å; Q93-D97 WeakPolarHBondContact O-CB 3.32Å; Q93-D97 PolarHBondContact O-N 2.94Å; D97-S100 PolarHBondContact O-N 3.02Å; D97-Q101 WeakPolarHBondContact O-CB 3.42Å; D97-Q101 PolarHBondContact O-N 3.07Å; D97-A137 HydrophobicContact CB-CB 3.68Å
98S96.9Very high95.7Very high0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-64.7-46.8174.5-57.80000111.9C94 L95 Y96 S100 Q101 A102 A137C94-S98 VanDerWaalsContact O-CB 3.23Å; C94-S98 WeakPolarHBondContact O-CB 3.28Å; C94-S98 PolarHBondContact O-N 3.04Å; C94-S98 PolarHBondContact O-OG 3.43Å; L95-S98 PolarHBondContact O-N 3.21Å; Y96-S98 VanDerWaalsContact C-N 3.32Å; Y96-S98 PolarHBondContact O-N 3.32Å; S98-S100 VanDerWaalsContact C-N 3.34Å; S98-S100 PolarHBondContact O-N 3.19Å; S98-Q101 PolarHBondContact O-N 2.85Å; S98-A102 WeakPolarHBondContact O-CB 3.31Å; S98-A102 PolarHBondContact O-N 2.89Å; S98-A137 WeakPolarHBondContact OG-CA 3.5Å; S98-A137 WeakPolarHBondContact OG-CB 3.5Å
99V96.7Very high95.7Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-62.4-42.4175.91690000110.8F75 L95 Y96 Q101 A102 L103 L112 I119 I122F75-V99 HydrophobicContact CE1-CB 4.43Å; F75-V99 HydrophobicContact CE1-CG1 4.19Å; F75-V99 HydrophobicContact CE1-CG2 4.35Å; F75-V99 HydrophobicContact CZ-CG1 4.18Å; L95-V99 HydrophobicContact CD1-CG2 4.15Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 VanDerWaalsContact O-CG2 3.27Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.99Å; Y96-V99 PolarHBondContact O-N 2.91Å; V99-Q101 VanDerWaalsContact C-N 3.35Å; V99-Q101 PolarHBondContact O-N 2.68Å; V99-A102 PolarHBondContact O-N 2.84Å; V99-L103 HydrophobicContact CG1-CD1 3.78Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.37Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.35Å; V99-L103 PolarHBondContact O-N 2.89Å; V99-L112 HydrophobicContact CG1-CD1 4.47Å; V99-I119 HydrophobicContact CB-CD1 4.4Å; V99-I119 HydrophobicContact CG1-CD1 3.88Å; V99-I119 HydrophobicContact CG2-CD1 3.98Å; V99-I119 HydrophobicContact CG2-CG2 4.47Å; V99-I122 HydrophobicContact CG2-CD1 4.36Å; V99-I122 HydrophobicContact CG2-CG2 4.27Å
100S95.6Very high95.8Very high18 Ų1851.7 Ų51.713%0.12625%0.245CC..Hα-helixtrans-62.1-42176.6-175.70000112Y96 D97 S98 L103 K104 R105Y96-S100 VanDerWaalsContact O-CB 3.24Å; Y96-S100 WeakPolarHBondContact O-CB 3.37Å; Y96-S100 PolarHBondContact O-N 3.01Å; D97-S100 PolarHBondContact O-N 3.02Å; S98-S100 VanDerWaalsContact C-N 3.34Å; S98-S100 PolarHBondContact O-N 3.19Å; S100-L103 PolarHBondContact O-N 3.48Å; S100-K104 PolarHBondContact O-N 2.99Å; S100-R105 WeakPolarHBondContact O-CA 3.19Å; S100-R105 PolarHBondContact O-N 2.83Å
101Q94.6Very high95.8Very high82 Ų8250.8 Ų50.838%0.38324%0.238SC..Hα-helixtrans-63.9-46.7174.8-177.1173.3-1.700111.8D97 S98 V99 L103 K104 M141D97-Q101 WeakPolarHBondContact O-CB 3.42Å; D97-Q101 PolarHBondContact O-N 3.07Å; S98-Q101 PolarHBondContact O-N 2.85Å; V99-Q101 VanDerWaalsContact C-N 3.35Å; V99-Q101 PolarHBondContact O-N 2.68Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.43Å; Q101-K104 PolarHBondContact O-N 2.72Å; Q101-M141 HydrophobicContact CB-CG 4.35Å; Q101-M141 HydrophobicContact CG-CE 4.43Å; Q101-M141 HydrophobicContact CG-CG 4.29Å
102A93.8Very high95.8Very high17 Ų1750.8 Ų50.814%0.1424%0.238CC..Hα-helixtrans-58.7-39.7177.500000112.6S98 V99 K104 L118 I122 M141S98-A102 WeakPolarHBondContact O-CB 3.31Å; S98-A102 PolarHBondContact O-N 2.89Å; V99-A102 PolarHBondContact O-N 2.84Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.18Å; A102-L118 HydrophobicContact CB-CD2 3.73Å; A102-L118 HydrophobicContact CB-CG 4.22Å; A102-I122 HydrophobicContact CB-CD1 3.65Å; A102-M141 HydrophobicContact CB-CE 3.73Å; A102-M141 HydrophobicContact CB-SD 4.31Å
103L94.4Very high95.8Very high10 Ų1054.7 Ų54.75%0.05226%0.257CS..THydrogen-bonded Turntrans-91.918.5-178.9-57.1-178.5000113.5V99 S100 Q101 R105 S106 T111 L112 N115 I119V99-L103 HydrophobicContact CG1-CD1 3.78Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 WeakPolarHBondContact O-CB 3.37Å; V99-L103 VanDerWaalsContact O-CG 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.35Å; V99-L103 PolarHBondContact O-N 2.89Å; S100-L103 PolarHBondContact O-N 3.48Å; Q101-L103 VanDerWaalsContact C-N 3.29Å; Q101-L103 PolarHBondContact O-N 3.43Å; L103-R105 PolarHBondContact O-N 2.87Å; L103-R105 VanDerWaalsContact O-N 3.12Å; L103-S106 WeakPolarHBondContact CB-O 3.47Å; L103-S106 PolarHBondContact O-N 3.28Å; L103-T111 WeakPolarHBondContact CD2-O 3.46Å; L103-L112 HydrophobicContact CD1-CB 3.96Å; L103-L112 HydrophobicContact CD1-CG 4.44Å; L103-N115 HydrophobicContact CD2-CB 3.74Å; L103-I119 HydrophobicContact CD2-CD1 4.43Å; L103-I119 HydrophobicContact CG-CD1 4.49Å
104K92.3Very high95.7Very high148 Ų14856 Ų5664%0.64327%0.267SS*.THydrogen-bonded Turntrans52.138.5177.6-55.5-178.9-178-177.10112.7S100 Q101 A102 S106S100-K104 PolarHBondContact O-N 2.99Å; Q101-K104 PolarHBondContact O-N 2.72Å; A102-K104 VanDerWaalsContact C-N 3.31Å; A102-K104 PolarHBondContact O-N 3.18Å; K104-S106 PolarHBondContact O-N 3.44Å
105R90.9Very high95.6Very high221 Ų22159.1 Ų59.183%0.83428%0.283SS*.THydrogen-bonded Turntrans67.19.2-178-52177.7177.4-178.9-1.6115.7S100 L103S100-R105 WeakPolarHBondContact O-CA 3.19Å; S100-R105 PolarHBondContact O-N 2.83Å; L103-R105 PolarHBondContact O-N 2.87Å; L103-R105 VanDerWaalsContact O-N 3.12Å
106S91.7Very high95.5Very high54 Ų5461.2 Ų61.238%0.37829%0.294SS..  trans-100.783.3171.6-177.40000109.5L103 K104 E108 T111L103-S106 WeakPolarHBondContact CB-O 3.47Å; L103-S106 PolarHBondContact O-N 3.28Å; K104-S106 PolarHBondContact O-N 3.44Å; S106-E108 PolarHBondContact O-N 3.17Å; S106-T111 PolarHBondContact O-OG1 2.88Å
107V95.3Very high95.5Very high17 Ų1766.1 Ų66.110%0.10332%0.323CS..  trans-92.792.7-178.8-175.40000109.4V70 L73 F75 Y96V70-V107 HydrophobicContact CG1-CB 4.31Å; V70-V107 HydrophobicContact CG1-CG1 4.38Å; L73-V107 HydrophobicContact CD1-CG1 3.76Å; F75-V107 HydrophobicContact CE2-CG1 4.19Å; F75-V107 HydrophobicContact CZ-CG1 4Å; Y96-V107 HydrophobicContact CE2-CG1 4.38Å; Y96-V107 HydrophobicContact CE2-CG2 4.39Å
108E96.7Very high95.4Very high84 Ų8464.9 Ų64.939%0.39332%0.316SS..SBendtrans-139.8157.4174.858.3178-152.400109.8S106 K110 T111 L112S106-E108 PolarHBondContact O-N 3.17Å; E108-K110 HydrophobicContact CG-CB 4.46Å; E108-K110 PolarHBondContact O-N 3.31Å; E108-K110 VanDerWaalsContact O-N 3.15Å; E108-T111 HydrophobicContact CG-CG2 3.87Å; E108-T111 WeakPolarHBondContact CG-OG1 3.08Å; E108-T111 PolarHBondContact N-OG1 2.9Å; E108-T111 PolarHBondContact O-N 3.13Å; E108-T111 PolarHBondContact O-OG1 2.95Å; E108-L112 WeakPolarHBondContact O-CB 3.17Å; E108-L112 PolarHBondContact O-N 3.32Å
109K97.9Very high95.5Very high66 Ų6664.9 Ų64.929%0.28732%0.316SS..Hα-helixtrans-52.6-41.2-178179.6178.5177173.70112.4D17 I23 D72 L73 L112 M113D17-K109 HydrophobicContact CB-CD 3.91Å; D17-K109 IonicContact OD2-NZ 2.7Å; D17-K109 PolarHBondContact OD2-NZ 3.4Å; I23-K109 HydrophobicContact CD1-CG 4.19Å; D72-K109 PolarHBondContact OD1-N 2.88Å; D72-K109 WeakPolarHBondContact OD2-CB 3.39Å; L73-K109 HydrophobicContact CD2-CB 4.14Å; K109-L112 PolarHBondContact O-N 3.38Å; K109-M113 HydrophobicContact CG-CG 4.12Å; K109-M113 WeakPolarHBondContact O-CB 3.09Å; K109-M113 WeakPolarHBondContact O-CG 3.37Å; K109-M113 PolarHBondContact O-N 2.98Å
110K97.1Very high95.5Very high135 Ų13568.1 Ų68.159%0.58733%0.33SS*.Hα-helixtrans-59.3-56.8-179.2-179.9175.2168.348.80111.5E108 L112 M113 D114E108-K110 HydrophobicContact CG-CB 4.46Å; E108-K110 PolarHBondContact O-N 3.31Å; E108-K110 VanDerWaalsContact O-N 3.15Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 2.94Å; K110-M113 PolarHBondContact O-N 2.65Å; K110-D114 IonicContact NZ-OD2 3.5Å; K110-D114 VanDerWaalsContact O-CG 3.25Å; K110-D114 PolarHBondContact O-N 3.14Å
111T96.5Very high95.5Very high29 Ų2971.5 Ų71.518%0.17835%0.346CS..Hα-helixtrans-65.5-34.7-178.654.30000112.1L103 S106 E108 D114 N115L103-T111 WeakPolarHBondContact CD2-O 3.46Å; S106-T111 PolarHBondContact O-OG1 2.88Å; E108-T111 HydrophobicContact CG-CG2 3.87Å; E108-T111 WeakPolarHBondContact CG-OG1 3.08Å; E108-T111 PolarHBondContact N-OG1 2.9Å; E108-T111 PolarHBondContact O-N 3.13Å; E108-T111 PolarHBondContact O-OG1 2.95Å; T111-D114 PolarHBondContact O-N 2.94Å; T111-N115 PolarHBondContact O-N 3.03Å; T111-N115 PolarHBondContact O-ND2 2.96Å
112L97.9Very high95.7Very high0 Ų067.6 Ų67.60%033%0.328CS..Hα-helixtrans-64.4-46.9175.2-169.9159.3000111.4I15 I23 L73 F75 V99 L103 E108 K109 K110 D114 N115 L116 I119I15-L112 HydrophobicContact CG2-CD1 4.11Å; I23-L112 HydrophobicContact CG2-CD2 3.56Å; L73-L112 HydrophobicContact CD1-CB 4.11Å; L73-L112 HydrophobicContact CD1-CD1 3.47Å; L73-L112 VanDerWaalsContact CD1-CD1 3.47Å; L73-L112 HydrophobicContact CD1-CG 4.42Å; L73-L112 HydrophobicContact CD2-CD1 3.92Å; L73-L112 HydrophobicContact CG-CD1 4.31Å; F75-L112 HydrophobicContact CZ-CD1 4.33Å; V99-L112 HydrophobicContact CG1-CD1 4.47Å; L103-L112 HydrophobicContact CD1-CB 3.96Å; L103-L112 HydrophobicContact CD1-CG 4.44Å; E108-L112 WeakPolarHBondContact O-CB 3.17Å; E108-L112 PolarHBondContact O-N 3.32Å; K109-L112 PolarHBondContact O-N 3.38Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 2.94Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 3.15Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.04Å; L112-N115 VanDerWaalsContact O-N 3.15Å; L112-L116 HydrophobicContact CD2-CD1 4.23Å; L112-L116 PolarHBondContact O-N 3.37Å; L112-L116 VanDerWaalsContact O-N 3.13Å; L112-I119 HydrophobicContact CD2-CG1 4.15Å; L112-I119 HydrophobicContact CG-CD1 4.2Å; L112-I119 HydrophobicContact CG-CG1 3.98Å
113M97.4Very high95.9Very high89 Ų8966.8 Ų66.844%0.43832%0.321SS..Hα-helixtrans-63.9-38.2177.3-70.7-64.8-59.900112.2I23 K109 K110 N115 L116I23-M113 HydrophobicContact CG2-SD 3.84Å; K109-M113 HydrophobicContact CG-CG 4.12Å; K109-M113 WeakPolarHBondContact O-CB 3.09Å; K109-M113 WeakPolarHBondContact O-CG 3.37Å; K109-M113 PolarHBondContact O-N 2.98Å; K110-M113 PolarHBondContact O-N 2.65Å; M113-N115 PolarHBondContact O-N 3.39Å; M113-L116 PolarHBondContact O-N 2.83Å
114D96Very high96Very high111 Ų11169.4 Ų69.459%0.59434%0.335SS*.Hα-helixtrans-66.7-20177-68.7-20.8000112.2K110 T111 L112K110-D114 IonicContact NZ-OD2 3.5Å; K110-D114 VanDerWaalsContact O-CG 3.25Å; K110-D114 PolarHBondContact O-N 3.14Å; T111-D114 PolarHBondContact O-N 2.94Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 3.15Å
115N95.3Very high96.2Very high68 Ų6865.4 Ų65.436%0.36432%0.319SS..THydrogen-bonded Turntrans-118.325.4-179.9-66.9-88000112.8L103 T111 L112 M113 D117 L118 I119L103-N115 HydrophobicContact CD2-CB 3.74Å; T111-N115 PolarHBondContact O-N 3.03Å; T111-N115 PolarHBondContact O-ND2 2.96Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.04Å; L112-N115 VanDerWaalsContact O-N 3.15Å; M113-N115 PolarHBondContact O-N 3.39Å; N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.64Å; N115-D117 VanDerWaalsContact O-N 3.17Å; N115-L118 WeakPolarHBondContact O-CB 3.13Å; N115-L118 PolarHBondContact O-N 2.9Å; N115-I119 WeakPolarHBondContact O-CG1 3.32Å; N115-I119 PolarHBondContact O-N 2.9Å; N115-I119 VanDerWaalsContact O-N 3.16Å
116L96.6Very high96.5Very high43 Ų4354.9 Ų54.923%0.22528%0.279CS..Hα-helixtrans-57.4-37.3-168.3-171.463.5000113.8I23 L112 M113 L118 I119 F120I23-L116 HydrophobicContact CG2-CD1 4.2Å; L112-L116 HydrophobicContact CD2-CD1 4.23Å; L112-L116 PolarHBondContact O-N 3.37Å; L112-L116 VanDerWaalsContact O-N 3.13Å; M113-L116 PolarHBondContact O-N 2.83Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.18Å; L116-I119 WeakPolarHBondContact O-CB 3.38Å; L116-I119 PolarHBondContact O-N 3.18Å; L116-I119 VanDerWaalsContact O-N 3.13Å; L116-F120 HydrophobicContact CD1-CD2 4.3Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD2-CE2 4.01Å; L116-F120 HydrophobicContact CG-CD2 3.92Å; L116-F120 HydrophobicContact CG-CE2 3.69Å; L116-F120 VanDerWaalsContact O-CD2 3.32Å; L116-F120 WeakPolarHBondContact O-CD2 3.43Å; L116-F120 PolarHBondContact O-N 2.98Å
117D95.3Very high96.8Very high136 Ų13652.3 Ų52.373%0.72726%0.261SS*.Hα-helixtrans-58.4-42.8176.4-63.9-26.4000111.6N115 F120 L121N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.64Å; N115-D117 VanDerWaalsContact O-N 3.17Å; D117-F120 PolarHBondContact O-N 2.91Å; D117-L121 WeakPolarHBondContact O-CG 3.4Å; D117-L121 PolarHBondContact O-N 3.11Å; D117-L121 VanDerWaalsContact O-N 3.12Å
118L95.5Very high96.8Very high34 Ų3457.2 Ų57.218%0.17828%0.283CS..Hα-helixtrans-67-37.6176.9177.458.5000111.6A102 N115 L116 F120 L121 I122 V144 A146A102-L118 HydrophobicContact CB-CD2 3.73Å; A102-L118 HydrophobicContact CB-CG 4.22Å; N115-L118 WeakPolarHBondContact O-CB 3.13Å; N115-L118 PolarHBondContact O-N 2.9Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.18Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-L121 PolarHBondContact O-N 2.88Å; L118-I122 HydrophobicContact CG-CD1 4.29Å; L118-I122 WeakPolarHBondContact O-CG1 3.36Å; L118-I122 PolarHBondContact O-N 2.89Å; L118-V144 HydrophobicContact CD1-CG1 3.3Å; L118-A146 HydrophobicContact CD1-CB 3.8Å; L118-A146 HydrophobicContact CD2-CB 4.44Å
119I97.2Very high96.8Very high0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-64.6-40176.2-53.4-61.3000111I15 L24 V99 L103 L112 N115 L116 I122 V123I15-I119 HydrophobicContact CD1-CG2 3.87Å; L24-I119 HydrophobicContact CD1-CG2 4.06Å; V99-I119 HydrophobicContact CB-CD1 4.4Å; V99-I119 HydrophobicContact CG1-CD1 3.88Å; V99-I119 HydrophobicContact CG2-CD1 3.98Å; V99-I119 HydrophobicContact CG2-CG2 4.47Å; L103-I119 HydrophobicContact CD2-CD1 4.43Å; L103-I119 HydrophobicContact CG-CD1 4.49Å; L112-I119 HydrophobicContact CD2-CG1 4.15Å; L112-I119 HydrophobicContact CG-CD1 4.2Å; L112-I119 HydrophobicContact CG-CG1 3.98Å; N115-I119 WeakPolarHBondContact O-CG1 3.32Å; N115-I119 PolarHBondContact O-N 2.9Å; N115-I119 VanDerWaalsContact O-N 3.16Å; L116-I119 WeakPolarHBondContact O-CB 3.38Å; L116-I119 PolarHBondContact O-N 3.18Å; L116-I119 VanDerWaalsContact O-N 3.13Å; I119-I122 HydrophobicContact CD1-CD1 4.48Å; I119-I122 PolarHBondContact O-N 3.08Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 2.85Å
120F97.2Very high96.7Very high69 Ų6954.4 Ų54.430%0.30328%0.275SS..Hα-helixtrans-62-43.4173.8-85.9-70000112.2L24 L116 D117 L118 I122 V123 D124L24-F120 HydrophobicContact CD1-CD1 3.63Å; L24-F120 HydrophobicContact CD1-CD2 4.43Å; L24-F120 HydrophobicContact CD1-CE1 3.62Å; L24-F120 HydrophobicContact CD1-CE2 4.42Å; L24-F120 HydrophobicContact CD1-CG 4.06Å; L24-F120 HydrophobicContact CD1-CZ 4.03Å; L24-F120 HydrophobicContact CG-CD1 4.29Å; L24-F120 HydrophobicContact CG-CE1 3.8Å; L24-F120 HydrophobicContact CG-CZ 4.16Å; L116-F120 HydrophobicContact CD1-CD2 4.3Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD2-CE2 4.01Å; L116-F120 HydrophobicContact CG-CD2 3.92Å; L116-F120 HydrophobicContact CG-CE2 3.69Å; L116-F120 VanDerWaalsContact O-CD2 3.32Å; L116-F120 WeakPolarHBondContact O-CD2 3.43Å; L116-F120 PolarHBondContact O-N 2.98Å; D117-F120 PolarHBondContact O-N 2.91Å; L118-F120 VanDerWaalsContact C-N 3.34Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; F120-V123 PolarHBondContact O-N 3.48Å; F120-D124 PolarHBondContact O-N 3.47Å
121L96.3Very high96.7Very high88 Ų8850 Ų5046%0.46126%0.257SS..Hα-helixtrans-61.5-40.7175.6-67.2173.7000112D117 L118 V123 D124 E125 V144D117-L121 WeakPolarHBondContact O-CG 3.4Å; D117-L121 PolarHBondContact O-N 3.11Å; D117-L121 VanDerWaalsContact O-N 3.12Å; L118-L121 PolarHBondContact O-N 2.88Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 2.84Å; L121-D124 PolarHBondContact O-N 2.8Å; L121-E125 WeakPolarHBondContact O-CB 3.28Å; L121-E125 WeakPolarHBondContact O-CG 3.15Å; L121-E125 PolarHBondContact O-N 2.88Å; L121-V144 HydrophobicContact CB-CG1 3.75Å; L121-V144 HydrophobicContact CB-CG2 4.49Å; L121-V144 HydrophobicContact CD1-CG1 4.28Å
122I97.8Very high96.7Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-59.5-45.6175.5-72.4165.9000111.1L95 V99 A102 L118 I119 F120 E125 L126 L140 M141 V144L95-I122 HydrophobicContact CD1-CG2 4.16Å; V99-I122 HydrophobicContact CG2-CD1 4.36Å; V99-I122 HydrophobicContact CG2-CG2 4.27Å; A102-I122 HydrophobicContact CB-CD1 3.65Å; L118-I122 HydrophobicContact CG-CD1 4.29Å; L118-I122 WeakPolarHBondContact O-CG1 3.36Å; L118-I122 PolarHBondContact O-N 2.89Å; I119-I122 HydrophobicContact CD1-CD1 4.48Å; I119-I122 PolarHBondContact O-N 3.08Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.22Å; I122-E125 PolarHBondContact O-N 2.97Å; I122-L126 VanDerWaalsContact O-CB 3.27Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 2.87Å; I122-L140 HydrophobicContact CB-CD2 4.17Å; I122-L140 HydrophobicContact CG1-CD2 4.09Å; I122-L140 HydrophobicContact CG2-CD2 3.86Å; I122-M141 HydrophobicContact CD1-SD 3.85Å; I122-M141 HydrophobicContact CG1-SD 3.97Å; I122-V144 HydrophobicContact CG1-CG1 4.37Å; I122-V144 HydrophobicContact CG1-CG2 4.05Å
123V98.1Very high96.7Very high0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-66.5-38.8179.7174.90000111.5I13 L24 K26 L95 I119 F120 L121 L126 C127I13-V123 HydrophobicContact CB-CG1 4.48Å; I13-V123 HydrophobicContact CD1-CG1 4.21Å; I13-V123 HydrophobicContact CG2-CG1 4.29Å; L24-V123 HydrophobicContact CD1-CG2 3.94Å; L24-V123 HydrophobicContact CD2-CG1 4.34Å; L24-V123 HydrophobicContact CD2-CG2 4.04Å; K26-V123 HydrophobicContact CB-CG1 4.48Å; K26-V123 HydrophobicContact CG-CG1 3.91Å; L95-V123 HydrophobicContact CD1-CG2 3.88Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 2.85Å; F120-V123 PolarHBondContact O-N 3.48Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 2.84Å; V123-L126 WeakPolarHBondContact O-CB 3.45Å; V123-L126 PolarHBondContact O-N 3.34Å; V123-C127 PolarHBondContact O-N 2.88Å
124D96.3Very high96.5Very high65 Ų6552.3 Ų52.335%0.34827%0.268SS..Hα-helixtrans-70-32.4178.8-71.8-22.6000112.5K26 F120 L121K26-D124 IonicContact NZ-OD1 2.9Å; K26-D124 PolarHBondContact NZ-OD1 3.06Å; K26-D124 IonicContact NZ-OD2 2.64Å; F120-D124 PolarHBondContact O-N 3.47Å; L121-D124 PolarHBondContact O-N 2.8Å
125E96.5Very high96.4Very high64 Ų6450.1 Ų50.130%0.29926%0.261SS..Hα-helixtrans-78.7-23.1172.5-74.1-63.9146.900113.6L121 I122 L140 R143 V144L121-E125 WeakPolarHBondContact O-CB 3.28Å; L121-E125 WeakPolarHBondContact O-CG 3.15Å; L121-E125 PolarHBondContact O-N 2.88Å; I122-E125 PolarHBondContact O-N 2.97Å; E125-L140 HydrophobicContact CB-CD2 4.21Å; E125-L140 HydrophobicContact CB-CG 4.09Å; E125-R143 HydrophobicContact CG-CB 4.41Å; E125-R143 WeakPolarHBondContact OE2-CB 3.49Å; E125-R143 WeakPolarHBondContact OE2-CD 3.48Å; E125-R143 IonicContact OE2-NE 3.11Å; E125-R143 PolarHBondContact OE2-NE 2.92Å; E125-V144 HydrophobicContact CB-CG2 3.9Å; E125-V144 HydrophobicContact CG-CG2 3.64Å
126L98.2Very high96.5Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-74.1-51.1175.1179.367.8000111.1I13 C94 L95 I122 V123 L132 L133 E134 L140I13-L126 HydrophobicContact CD1-CD2 3.94Å; C94-L126 HydrophobicContact CB-CD1 3.88Å; L95-L126 HydrophobicContact CB-CD2 3.65Å; L95-L126 HydrophobicContact CD1-CD2 3.95Å; L95-L126 HydrophobicContact CD2-CD2 4.5Å; L95-L126 HydrophobicContact CG-CD2 4.23Å; I122-L126 VanDerWaalsContact O-CB 3.27Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 PolarHBondContact O-N 2.87Å; V123-L126 WeakPolarHBondContact O-CB 3.45Å; V123-L126 PolarHBondContact O-N 3.34Å; L126-L132 HydrophobicContact CD1-CD1 3.95Å; L126-L132 HydrophobicContact CG-CD1 4.3Å; L126-L133 PolarHBondContact O-N 3.24Å; L126-E134 VanDerWaalsContact CD1-O 3.29Å; L126-E134 WeakPolarHBondContact CD1-O 3.34Å; L126-L140 HydrophobicContact CB-CD1 3.78Å; L126-L140 HydrophobicContact CD1-CD1 3.91Å; L126-L140 HydrophobicContact CG-CD1 4.46Å
127C97.9Very high96.4Very high1 Ų149.1 Ų49.11%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-143.2128.3-171.1-1780000112.1I10 I13 Y28 V123 I131I10-C127 HydrophobicContact CD1-CB 4.24Å; I13-C127 HydrophobicContact CD1-CB 3.67Å; Y28-C127 HydrophobicContact CE2-CB 4.27Å; Y28-C127 PolarHBondContact OH-O 3.41Å; V123-C127 PolarHBondContact O-N 2.88Å; C127-I131 VanDerWaalsContact CA-O 3.31Å; C127-I131 WeakPolarHBondContact CA-O 3.38Å; C127-I131 PolarHBondContact SG-O 2.98Å; C127-I131 VanDerWaalsContact SG-O 3.32Å
128H95.9Very high96.3Very high120 Ų12047.1 Ų47.156%0.55625%0.251SS*.EExtended strand (participates in β ladder)trans-121.9120.8177.5-172.285.2000110.9G130 I131 L133H128-G130 PolarHBondContact O-N 3.46Å; H128-I131 PolarHBondContact N-O 3.47Å; H128-I131 WeakPolarHBondContact O-CB 3.38Å; H128-I131 PolarHBondContact O-N 2.94Å; H128-L133 HydrophobicContact CB-CD1 3.56Å; H128-L133 HydrophobicContact CB-CD2 4.27Å; H128-L133 HydrophobicContact CB-CG 4.01Å
129N95.3Very high96.2Very high88 Ų8846.8 Ų46.847%0.47125%0.253SS..THydrogen-bonded Turntrans5139.2178.3-159.646.5000113.4Y8 I131Y8-N129 VanDerWaalsContact CD1-O 3.28Å; Y8-N129 WeakPolarHBondContact CD1-O 3.43Å; Y8-N129 WeakPolarHBondContact CE1-O 3.39Å; N129-I131 VanDerWaalsContact C-N 3.27Å; N129-I131 PolarHBondContact O-N 3.46Å
130G96.5Very high96.2Very high3 Ų346.8 Ų46.83%0.03125%0.253CS..THydrogen-bonded Turntrans80.21.3-179.600000115.3S9 I10 Y28 H128S9-G130 PolarHBondContact N-O 3.16Å; I10-G130 PolarHBondContact N-O 2.73Å; I10-G130 WeakPolarHBondContact O-CA 3.02Å; Y28-G130 VanDerWaalsContact CG-N 3.28Å; H128-G130 PolarHBondContact O-N 3.46Å
131I96.9Very high96Very high42 Ų4244.1 Ų44.122%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-94.7123.6174.5-56.1175.1000108.6L7 Y8 C127 H128 N129 L133L7-I131 HydrophobicContact CB-CD1 4.36Å; L7-I131 HydrophobicContact CB-CG1 4.23Å; L7-I131 HydrophobicContact CB-CG2 4.29Å; L7-I131 WeakPolarHBondContact O-CA 3.05Å; Y8-I131 HydrophobicContact CD1-CD1 4.44Å; Y8-I131 HydrophobicContact CD1-CG1 3.97Å; Y8-I131 HydrophobicContact CE1-CD1 4.02Å; Y8-I131 HydrophobicContact CE1-CG1 4.03Å; C127-I131 VanDerWaalsContact CA-O 3.31Å; C127-I131 WeakPolarHBondContact CA-O 3.38Å; C127-I131 PolarHBondContact SG-O 2.98Å; C127-I131 VanDerWaalsContact SG-O 3.32Å; H128-I131 PolarHBondContact N-O 3.47Å; H128-I131 WeakPolarHBondContact O-CB 3.38Å; H128-I131 PolarHBondContact O-N 2.94Å; N129-I131 VanDerWaalsContact C-N 3.27Å; N129-I131 PolarHBondContact O-N 3.46Å; I131-L133 HydrophobicContact CG2-CD2 4.24Å; I131-L133 PolarHBondContact O-N 3.01Å
132L97.1Very high95.8Very high39 Ų3944.2 Ų44.220%0.20425%0.25CC..EExtended strand (participates in β ladder)trans-69.3116.2170.9-177.564.6000109.3I10 L87 A91 L126 E134I10-L132 HydrophobicContact CD1-CB 4.14Å; I10-L132 HydrophobicContact CD1-CD1 4.05Å; L87-L132 HydrophobicContact CD2-CD2 3.99Å; L87-L132 HydrophobicContact CG-CD2 4.12Å; A91-L132 HydrophobicContact CB-CD1 3.65Å; A91-L132 HydrophobicContact CB-CD2 4.19Å; L126-L132 HydrophobicContact CD1-CD1 3.95Å; L126-L132 HydrophobicContact CG-CD1 4.3Å; L132-E134 VanDerWaalsContact CD1-O 3.3Å; L132-E134 WeakPolarHBondContact CD1-O 3.5Å
133L96.7Very high95.4Very high95 Ų9549.2 Ų49.250%0.49727%0.269SS..  trans-91-32.1-179-61.3-174.5000112.3L126 H128 I131L126-L133 PolarHBondContact O-N 3.24Å; H128-L133 HydrophobicContact CB-CD1 3.56Å; H128-L133 HydrophobicContact CB-CD2 4.27Å; H128-L133 HydrophobicContact CB-CG 4.01Å; I131-L133 HydrophobicContact CG2-CD2 4.24Å; I131-L133 PolarHBondContact O-N 3.01Å
134E95Very high95Very high32 Ų3250.1 Ų50.115%0.1527%0.274CS..  trans-147.6142.5-173.8-177.261.2-94.500112.5L126 L132 D136 A139 L140 R143L126-E134 VanDerWaalsContact CD1-O 3.29Å; L126-E134 WeakPolarHBondContact CD1-O 3.34Å; L132-E134 VanDerWaalsContact CD1-O 3.3Å; L132-E134 WeakPolarHBondContact CD1-O 3.5Å; E134-D136 VanDerWaalsContact CG-O 3.29Å; E134-D136 WeakPolarHBondContact CG-O 3.16Å; E134-D136 PolarHBondContact OE1-N 3.22Å; E134-A139 VanDerWaalsContact OE2-CB 3.26Å; E134-A139 WeakPolarHBondContact OE2-CB 3.42Å; E134-L140 HydrophobicContact CB-CD1 4.4Å; E134-L140 HydrophobicContact CG-CB 3.8Å; E134-L140 HydrophobicContact CG-CD1 4.36Å; E134-L140 HydrophobicContact CG-CG 4.42Å; E134-R143 IonicContact OE2-CZ 3.53Å; E134-R143 VanDerWaalsContact OE2-CZ 3.3Å; E134-R143 IonicContact OE2-NH1 2.95Å; E134-R143 PolarHBondContact OE2-NH1 3.14Å; E134-R143 IonicContact OE2-NH2 3.3Å; E134-R143 PolarHBondContact OE2-NH2 2.83Å
135S93.9Very high94.1Very high65 Ų6549.5 Ų49.546%0.45528%0.283SS..  trans-124.6-5.6175.958.60000113.4S90 C94S90-S135 WeakPolarHBondContact OG-CB 3.36Å; C94-S135 WeakPolarHBondContact CB-O 3.2Å
136D95.4Very high92.4Very high78 Ų7847.6 Ų47.642%0.41728%0.278SS..  trans-100.3119.5170.9179.6-110.6000111.9E134 T138 A139 L140E134-D136 VanDerWaalsContact CG-O 3.29Å; E134-D136 WeakPolarHBondContact CG-O 3.16Å; E134-D136 PolarHBondContact OE1-N 3.22Å; D136-T138 VanDerWaalsContact C-N 3.28Å; D136-T138 PolarHBondContact O-N 3.09Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 2.98Å; D136-T138 PolarHBondContact OD1-N 3.37Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 3.32Å; D136-A139 WeakPolarHBondContact OD1-CB 3.25Å; D136-A139 PolarHBondContact OD1-N 3.21Å; D136-L140 WeakPolarHBondContact O-CB 3.43Å; D136-L140 PolarHBondContact O-N 3.42Å
137A95.4Very high90.3Very high12 Ų1257.8 Ų57.810%0.09932%0.317CS..Hα-helixtrans-63.9-31.9-178.400000112.9D97 S98 L140 M141D97-A137 HydrophobicContact CB-CB 3.68Å; S98-A137 WeakPolarHBondContact OG-CA 3.5Å; S98-A137 WeakPolarHBondContact OG-CB 3.5Å; A137-L140 PolarHBondContact O-N 3.42Å; A137-M141 WeakPolarHBondContact O-CB 3.36Å; A137-M141 WeakPolarHBondContact O-CG 3.3Å; A137-M141 PolarHBondContact O-N 3.4Å
138T92.9Very high88.2Confident94 Ų9461.5 Ų61.558%0.57734%0.339SS*.Hα-helixtrans-68.6-46.5-179.7-52.50000110.5D136 M141 S142D136-T138 VanDerWaalsContact C-N 3.28Å; D136-T138 PolarHBondContact O-N 3.09Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 2.98Å; D136-T138 PolarHBondContact OD1-N 3.37Å; T138-M141 PolarHBondContact O-N 2.85Å; T138-S142 PolarHBondContact O-N 2.95Å; T138-S142 VanDerWaalsContact O-N 3.1Å
139A94.6Very high86Confident28 Ų2861 Ų6123%0.23134%0.341CS..Hα-helixtrans-62.6-43.6174.500000111.5E134 D136 M141 S142 R143E134-A139 VanDerWaalsContact OE2-CB 3.26Å; E134-A139 WeakPolarHBondContact OE2-CB 3.42Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 3.32Å; D136-A139 WeakPolarHBondContact OD1-CB 3.25Å; D136-A139 PolarHBondContact OD1-N 3.21Å; A139-M141 PolarHBondContact O-N 3.34Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-OG 2.96Å; A139-R143 PolarHBondContact O-N 3.47Å
140L95.7Very high83.9Confident0 Ų063.6 Ų63.60%036%0.355CS..Hα-helixtrans-56.4-53.1175.5-165.2153.7000111.5I122 E125 L126 E134 D136 A137 S142 R143 V144I122-L140 HydrophobicContact CB-CD2 4.17Å; I122-L140 HydrophobicContact CG1-CD2 4.09Å; I122-L140 HydrophobicContact CG2-CD2 3.86Å; E125-L140 HydrophobicContact CB-CD2 4.21Å; E125-L140 HydrophobicContact CB-CG 4.09Å; L126-L140 HydrophobicContact CB-CD1 3.78Å; L126-L140 HydrophobicContact CD1-CD1 3.91Å; L126-L140 HydrophobicContact CG-CD1 4.46Å; E134-L140 HydrophobicContact CB-CD1 4.4Å; E134-L140 HydrophobicContact CG-CB 3.8Å; E134-L140 HydrophobicContact CG-CD1 4.36Å; E134-L140 HydrophobicContact CG-CG 4.42Å; D136-L140 WeakPolarHBondContact O-CB 3.43Å; D136-L140 PolarHBondContact O-N 3.42Å; A137-L140 PolarHBondContact O-N 3.42Å; L140-S142 PolarHBondContact O-N 3Å; L140-R143 PolarHBondContact O-N 3.37Å; L140-V144 HydrophobicContact CD2-CG2 3.65Å; L140-V144 PolarHBondContact O-N 2.74Å; L140-V144 VanDerWaalsContact O-N 3.09Å
141M93.4Very high81.6Confident12 Ų1267.5 Ų67.56%0.05937%0.374CS..Hα-helixtrans-63.3-30-177.9-73.2-58.7-65.100112.8Q101 A102 I122 A137 T138 A139 R143 A146Q101-M141 HydrophobicContact CB-CG 4.35Å; Q101-M141 HydrophobicContact CG-CE 4.43Å; Q101-M141 HydrophobicContact CG-CG 4.29Å; A102-M141 HydrophobicContact CB-CE 3.73Å; A102-M141 HydrophobicContact CB-SD 4.31Å; I122-M141 HydrophobicContact CD1-SD 3.85Å; I122-M141 HydrophobicContact CG1-SD 3.97Å; A137-M141 WeakPolarHBondContact O-CB 3.36Å; A137-M141 WeakPolarHBondContact O-CG 3.3Å; A137-M141 PolarHBondContact O-N 3.4Å; T138-M141 PolarHBondContact O-N 2.85Å; A139-M141 PolarHBondContact O-N 3.34Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.85Å; M141-A146 HydrophobicContact CE-CB 3.4Å; M141-A146 VanDerWaalsContact CE-CB 3.4Å
142S91.6Very high79Confident90 Ų9069.6 Ų69.663%0.62939%0.39SS*.Hα-helixtrans-65.6-32.2173.379.80000113T138 A139 L140T138-S142 PolarHBondContact O-N 2.95Å; T138-S142 VanDerWaalsContact O-N 3.1Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-OG 2.96Å; L140-S142 PolarHBondContact O-N 3Å
143R90.6Very high76.8Confident105 Ų10574.5 Ų74.540%0.39642%0.416SS..Hα-helixtrans-82.2-39.8179.5-72.8-164.5-62.3-80.3-8.5113.6E125 E134 A139 L140 M141 G145E125-R143 HydrophobicContact CG-CB 4.41Å; E125-R143 WeakPolarHBondContact OE2-CB 3.49Å; E125-R143 WeakPolarHBondContact OE2-CD 3.48Å; E125-R143 IonicContact OE2-NE 3.11Å; E125-R143 PolarHBondContact OE2-NE 2.92Å; E134-R143 IonicContact OE2-CZ 3.53Å; E134-R143 VanDerWaalsContact OE2-CZ 3.3Å; E134-R143 IonicContact OE2-NH1 2.95Å; E134-R143 PolarHBondContact OE2-NH1 3.14Å; E134-R143 IonicContact OE2-NH2 3.3Å; E134-R143 PolarHBondContact OE2-NH2 2.83Å; A139-R143 PolarHBondContact O-N 3.47Å; L140-R143 PolarHBondContact O-N 3.37Å; M141-R143 VanDerWaalsContact C-N 3.31Å; M141-R143 PolarHBondContact O-N 2.85Å; R143-G145 PolarHBondContact O-N 2.71Å
144V89.3Confident74.7Confident19 Ų1972.2 Ų72.212%0.11542%0.416CS..Hα-helixtrans-56.3-19.9175.51730000111.3L118 L121 I122 E125 L140 A146L118-V144 HydrophobicContact CD1-CG1 3.3Å; L121-V144 HydrophobicContact CB-CG1 3.75Å; L121-V144 HydrophobicContact CB-CG2 4.49Å; L121-V144 HydrophobicContact CD1-CG1 4.28Å; I122-V144 HydrophobicContact CG1-CG1 4.37Å; I122-V144 HydrophobicContact CG1-CG2 4.05Å; E125-V144 HydrophobicContact CB-CG2 3.9Å; E125-V144 HydrophobicContact CG-CG2 3.64Å; L140-V144 HydrophobicContact CD2-CG2 3.65Å; L140-V144 PolarHBondContact O-N 2.74Å; L140-V144 VanDerWaalsContact O-N 3.09Å; V144-A146 HydrophobicContact CG1-CB 4.19Å; V144-A146 PolarHBondContact O-N 3.21Å; V144-A146 VanDerWaalsContact O-N 3.16Å
145G76.8Confident72.5Confident52 Ų5276.2 Ų76.254%0.53643%0.434SS..THydrogen-bonded Turntrans64.222.5-179.400000110.9R143 R147R143-G145 PolarHBondContact O-N 2.71Å; G145-R147 PolarHBondContact O-N 3.39Å
146A61.1Low70.6Confident24 Ų2477.3 Ų77.320%0.19843%0.432CS..  trans-55.696.3167.300000105.2L118 M141 V144 T148L118-A146 HydrophobicContact CD1-CB 3.8Å; L118-A146 HydrophobicContact CD2-CB 4.44Å; M141-A146 HydrophobicContact CE-CB 3.4Å; M141-A146 VanDerWaalsContact CE-CB 3.4Å; V144-A146 HydrophobicContact CG1-CB 4.19Å; V144-A146 PolarHBondContact O-N 3.21Å; V144-A146 VanDerWaalsContact O-N 3.16Å; A146-T148 VanDerWaalsContact C-N 3.25Å; A146-T148 PolarHBondContact O-N 3.11Å
147R54.2Low69.1Low214 Ų21478 Ų7881%0.80844%0.439SS*.  trans-56.2106.4168.5-67.8-178.8173.8-177-1.8102.8G145 D149G145-R147 PolarHBondContact O-N 3.39Å; R147-D149 PolarHBondContact O-N 3.14Å
148T53Low67.8Low79 Ų7981.3 Ų81.349%0.48546%0.458SS..  trans-5794.6158.548.20000103.4A146 D150A146-T148 VanDerWaalsContact C-N 3.25Å; A146-T148 PolarHBondContact O-N 3.11Å; T148-D150 PolarHBondContact O-N 3.35Å
149D50.7Low66.8Low111 Ų11179.5 Ų79.559%0.59445%0.453SS*.THydrogen-bonded Turntrans-51.2133.6174.3-75.6-38000107R147R147-D149 PolarHBondContact O-N 3.14Å
150D51.2Low65.7Low142 Ų14284 Ų8476%0.75947%0.469SS*.THydrogen-bonded Turntrans91.631.6169.1-47.8-36.5000119.7T148T148-D150 PolarHBondContact O-N 3.35Å
151I47Very low64.6Low84 Ų8486.6 Ų86.643%0.43149%0.49SS..SBendtrans-125.7108.3144.6-56.2-179.6000107L153 E155 Q156I151-L153 PolarHBondContact O-N 2.56Å; I151-E155 HydrophobicContact CG2-CB 3.27Å; I151-E155 HydrophobicContact CG2-CG 4.49Å; I151-Q156 HydrophobicContact CB-CG 4.31Å; I151-Q156 HydrophobicContact CG2-CG 3.93Å
152P42.3Very low63.9Low86 Ų8690.2 Ų90.256%0.55851%0.509SS*.  trans-49138.2173.1-23.231.7000108.8G154 E155P152-G154 CarbonylContact O-C 3.48Å; P152-G154 PolarHBondContact O-N 2.7Å; P152-E155 PolarHBondContact O-N 2.79Å
153L50.9Low63.3Low143 Ų14391.6 Ų91.675%0.74951%0.506SS*.Hα-helixtrans-46.2-30.1-179.6-92.2112.6000113.5I151 E155 T157I151-L153 PolarHBondContact O-N 2.56Å; L153-E155 PolarHBondContact O-N 2.9Å; L153-T157 PolarHBondContact O-N 2.86Å; L153-T157 PolarHBondContact O-OG1 2.97Å
154G53.3Low62.8Low47 Ų4791.3 Ų91.349%0.48551%0.512SS..Hα-helixtrans-59.9-37.4173.200000114.5P152 V158P152-G154 CarbonylContact O-C 3.48Å; P152-G154 PolarHBondContact O-N 2.7Å; G154-V158 VanDerWaalsContact O-CB 3.27Å; G154-V158 WeakPolarHBondContact O-CB 3.43Å; G154-V158 WeakPolarHBondContact O-CG2 3.22Å; G154-V158 PolarHBondContact O-N 2.8Å
155E49.3Very low62.3Low116 Ų11692.4 Ų92.454%0.54252%0.523SS..Hα-helixtrans-80.2-30.2-179.3-79.3-175.6-17600113.4I151 P152 L153 V158 A159I151-E155 HydrophobicContact CG2-CB 3.27Å; I151-E155 HydrophobicContact CG2-CG 4.49Å; P152-E155 PolarHBondContact O-N 2.79Å; L153-E155 PolarHBondContact O-N 2.9Å; E155-V158 PolarHBondContact O-N 2.9Å; E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.85Å
156Q53.4Low62.7Low88 Ų8896.8 Ų96.841%0.41153%0.527SS..Hα-helixtrans-66.5-45.1171.6-85.1-173-11.600111.2I151 V158 A159 Q160I151-Q156 HydrophobicContact CB-CG 4.31Å; I151-Q156 HydrophobicContact CG2-CG 3.93Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.22Å; Q156-A159 PolarHBondContact O-N 3.05Å; Q156-Q160 WeakPolarHBondContact O-CB 3.21Å; Q156-Q160 WeakPolarHBondContact O-CG 3.17Å; Q156-Q160 PolarHBondContact O-N 3.32Å
157T64.7Low63.6Low92 Ų92101 Ų10156%0.56454%0.542SS*.Hα-helixtrans-64.7-39.6176.6-49.50000110.8L153 A161L153-T157 PolarHBondContact O-N 2.86Å; L153-T157 PolarHBondContact O-OG1 2.97Å; T157-A161 WeakPolarHBondContact O-CB 3.36Å; T157-A161 PolarHBondContact O-N 3.31Å
158V68.2Low64.8Low82 Ų8298 Ų9850%0.49754%0.538SS..Hα-helixtrans-71.1-42.5178.1171.10000112G154 E155 Q156 A161 I162G154-V158 VanDerWaalsContact O-CB 3.27Å; G154-V158 WeakPolarHBondContact O-CB 3.43Å; G154-V158 WeakPolarHBondContact O-CG2 3.22Å; G154-V158 PolarHBondContact O-N 2.8Å; E155-V158 PolarHBondContact O-N 2.9Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 3.22Å; V158-A161 PolarHBondContact O-N 3.45Å; V158-I162 HydrophobicContact CG1-CD1 3.55Å; V158-I162 HydrophobicContact CG1-CG1 4.18Å; V158-I162 WeakPolarHBondContact O-CB 3.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.4Å; V158-I162 PolarHBondContact O-N 3.39Å
159A71.8Confident66.2Low56 Ų5698.9 Ų98.946%0.46354%0.539SS..Hα-helixtrans-65.2-45.4178.800000111.6E155 Q156 I162 Q163E155-A159 WeakPolarHBondContact O-CB 3.42Å; E155-A159 PolarHBondContact O-N 2.85Å; Q156-A159 PolarHBondContact O-N 3.05Å; A159-I162 PolarHBondContact O-N 2.95Å; A159-Q163 WeakPolarHBondContact O-CB 3.46Å; A159-Q163 PolarHBondContact O-N 3.27Å
160Q71.7Confident67.7Low123 Ų123102.2 Ų102.258%0.57554%0.543SS*.Hα-helixtrans-64.3-41.5173.5-72.2177.2-18.100111.4Q156 I162 Q163 N164Q156-Q160 WeakPolarHBondContact O-CB 3.21Å; Q156-Q160 WeakPolarHBondContact O-CG 3.17Å; Q156-Q160 PolarHBondContact O-N 3.32Å; Q160-I162 PolarHBondContact O-N 2.81Å; Q160-Q163 PolarHBondContact O-N 3.09Å; Q160-N164 WeakPolarHBondContact O-CB 3.45Å; Q160-N164 PolarHBondContact O-N 3.36Å; Q160-N164 PolarHBondContact O-ND2 3.16Å
161A71.1Confident69Low53 Ų53102 Ų10244%0.43854%0.539SS..Hα-helixtrans-63.2-40.3175.300000112.2T157 V158 A165T157-A161 WeakPolarHBondContact O-CB 3.36Å; T157-A161 PolarHBondContact O-N 3.31Å; V158-A161 PolarHBondContact O-N 3.45Å; A161-A165 WeakPolarHBondContact O-CB 3.39Å; A161-A165 PolarHBondContact O-N 3.21Å
162I80.4Confident70.6Confident88 Ų88101.4 Ų101.445%0.45154%0.542SS..Hα-helixtrans-66.2-40.8175.9-71.7167000110.6V158 A159 Q160 A165 K166V158-I162 HydrophobicContact CG1-CD1 3.55Å; V158-I162 HydrophobicContact CG1-CG1 4.18Å; V158-I162 WeakPolarHBondContact O-CB 3.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.4Å; V158-I162 PolarHBondContact O-N 3.39Å; A159-I162 PolarHBondContact O-N 2.95Å; Q160-I162 PolarHBondContact O-N 2.81Å; I162-A165 PolarHBondContact O-N 3.13Å; I162-K166 HydrophobicContact CG2-CD 4.34Å; I162-K166 WeakPolarHBondContact O-CB 3.4Å; I162-K166 WeakPolarHBondContact O-CG 3.37Å; I162-K166 PolarHBondContact O-N 3.09Å
163Q79.1Confident72.2Confident120 Ų120103.7 Ų103.756%0.56155%0.549SS*.Hα-helixtrans-65.9-47.5178.2-172.2166.2-12.200111.3A159 Q160 A165 K166 E167A159-Q163 WeakPolarHBondContact O-CB 3.46Å; A159-Q163 PolarHBondContact O-N 3.27Å; Q160-Q163 PolarHBondContact O-N 3.09Å; Q163-A165 VanDerWaalsContact C-N 3.3Å; Q163-A165 PolarHBondContact O-N 2.75Å; Q163-K166 PolarHBondContact O-N 3.23Å; Q163-E167 PolarHBondContact O-N 3.19Å
164N79.8Confident73.6Confident99 Ų99103 Ų10353%0.52955%0.545SS..Hα-helixtrans-61-38.9174.4-67.9-14.3000111.8Q160 E167 Q168Q160-N164 WeakPolarHBondContact O-CB 3.45Å; Q160-N164 PolarHBondContact O-N 3.36Å; Q160-N164 PolarHBondContact O-ND2 3.16Å; N164-E167 PolarHBondContact O-N 3.05Å; N164-Q168 PolarHBondContact O-N 2.73Å
165A79.5Confident73.6Confident42 Ų42112.1 Ų112.135%0.34757%0.571SS.*Hα-helixtrans-66.1-41.7175.300000112.1A161 I162 Q163 E167 Q168 I169A161-A165 WeakPolarHBondContact O-CB 3.39Å; A161-A165 PolarHBondContact O-N 3.21Å; I162-A165 PolarHBondContact O-N 3.13Å; Q163-A165 VanDerWaalsContact C-N 3.3Å; Q163-A165 PolarHBondContact O-N 2.75Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.01Å; A165-Q168 PolarHBondContact O-N 2.85Å; A165-I169 VanDerWaalsContact O-CG1 3.27Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 3.06Å
166K83.9Confident74.8Confident144 Ų144112 Ų11263%0.62657%0.573SS**Hα-helixtrans-61.4-40.8174.8-81.1179.3177.1179.50111.7I162 Q163 I169 R170I162-K166 HydrophobicContact CG2-CD 4.34Å; I162-K166 WeakPolarHBondContact O-CB 3.4Å; I162-K166 WeakPolarHBondContact O-CG 3.37Å; I162-K166 PolarHBondContact O-N 3.09Å; Q163-K166 PolarHBondContact O-N 3.23Å; K166-I169 PolarHBondContact O-N 3.06Å; K166-R170 WeakPolarHBondContact O-CB 3.17Å; K166-R170 PolarHBondContact O-N 3Å
167E80.8Confident76Confident111 Ų111113.2 Ų113.252%0.51958%0.581SS.*Hα-helixtrans-67-41.4176.3-73.4-178.4179.700112.1Q163 N164 A165 R170 M171Q163-E167 PolarHBondContact O-N 3.19Å; N164-E167 PolarHBondContact O-N 3.05Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.01Å; E167-R170 PolarHBondContact O-N 2.98Å; E167-M171 WeakPolarHBondContact O-CB 3.48Å; E167-M171 WeakPolarHBondContact O-CG 3.47Å; E167-M171 PolarHBondContact O-N 3.19Å
168Q78.3Confident76.6Confident151 Ų151114.4 Ų114.471%0.70658%0.582SS**Hα-helixtrans-61.3-44.4172.9-81.9-171.4-8.100112.4N164 A165 R170 M171 S172N164-Q168 PolarHBondContact O-N 2.73Å; A165-Q168 PolarHBondContact O-N 2.85Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 3.23Å; Q168-M171 PolarHBondContact O-N 3.14Å; Q168-S172 WeakPolarHBondContact O-CB 3.13Å; Q168-S172 PolarHBondContact O-N 3.42Å; Q168-S172 PolarHBondContact O-OG 3.21Å
169I82.2Confident77.1Confident99 Ų99116.3 Ų116.351%0.50859%0.587SS.*Hα-helixtrans-62.1-45.2176.5-68.4165.7000110A165 K166 M171 S172 L173A165-I169 VanDerWaalsContact O-CG1 3.27Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 3.06Å; K166-I169 PolarHBondContact O-N 3.06Å; I169-M171 PolarHBondContact O-N 2.8Å; I169-S172 WeakPolarHBondContact CA-OG 3.47Å; I169-S172 PolarHBondContact O-N 2.8Å; I169-S172 VanDerWaalsContact O-N 3.15Å; I169-S172 PolarHBondContact O-OG 2.91Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 WeakPolarHBondContact O-CG 3.5Å; I169-L173 PolarHBondContact O-N 2.82Å
170R83.1Confident77.4Confident181 Ų181120.1 Ų120.168%0.68360%0.595SS**Hα-helixtrans-60.8-44.8177.4-171.5179.8-178.5-174.10.6112K166 E167 Q168 S172 L173 I174K166-R170 WeakPolarHBondContact O-CB 3.17Å; K166-R170 PolarHBondContact O-N 3Å; E167-R170 PolarHBondContact O-N 2.98Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 3.23Å; R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 2.71Å; R170-L173 PolarHBondContact O-N 3.49Å; R170-I174 HydrophobicContact CG-CD1 4.01Å; R170-I174 WeakPolarHBondContact O-CD1 3.48Å; R170-I174 WeakPolarHBondContact O-CG1 3.4Å; R170-I174 PolarHBondContact O-N 3.38Å
171M79Confident77.8Confident137 Ų137119.9 Ų119.968%0.67560%0.596SS**Hα-helixtrans-64.5-32.3176-73.9-67-150.500112.5E167 Q168 I169E167-M171 WeakPolarHBondContact O-CB 3.48Å; E167-M171 WeakPolarHBondContact O-CG 3.47Å; E167-M171 PolarHBondContact O-N 3.19Å; Q168-M171 PolarHBondContact O-N 3.14Å; I169-M171 PolarHBondContact O-N 2.8Å
172S80.5Confident78.3Confident72 Ų72124.6 Ų124.650%0.50361%0.607SS.*Hα-helixtrans-73.8-27.7176.772.50000113.7Q168 I169 R170Q168-S172 WeakPolarHBondContact O-CB 3.13Å; Q168-S172 PolarHBondContact O-N 3.42Å; Q168-S172 PolarHBondContact O-OG 3.21Å; I169-S172 WeakPolarHBondContact CA-OG 3.47Å; I169-S172 PolarHBondContact O-N 2.8Å; I169-S172 VanDerWaalsContact O-N 3.15Å; I169-S172 PolarHBondContact O-OG 2.91Å; R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 2.71Å
173L76.1Confident78.1Confident133 Ų133127.5 Ų127.570%0.69662%0.619SS**Hα-helixtrans-84.2-17.3178-69.9170.1000113.7I169 R170 K175I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 WeakPolarHBondContact O-CG 3.5Å; I169-L173 PolarHBondContact O-N 2.82Å; R170-L173 PolarHBondContact O-N 3.49Å; L173-K175 VanDerWaalsContact C-N 3.34Å
174I79.2Confident78Confident128 Ų128128.1 Ų128.166%0.65662%0.624SS**  trans-86.6-9.5177.5-67.2167.6000111.3R170R170-I174 HydrophobicContact CG-CD1 4.01Å; R170-I174 WeakPolarHBondContact O-CD1 3.48Å; R170-I174 WeakPolarHBondContact O-CG1 3.4Å; R170-I174 PolarHBondContact O-N 3.38Å
175K54.1Low77.9Confident240 Ų240130.7 Ų130.7100%1.04363%0.633SS**  trans-93.50167.8-69.8-175.1178.5-178.70110.4L173L173-K175 VanDerWaalsContact C-N 3.34Å

Retrieved 175 of 175 residues in 60.4 ms (Link to these results)

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