A0A096NU01_PAPAN Loading...

Archaemetzincin-2

Probable zinc metalloprotease.

AlphaFold DB , UniProt , Accession A0A096NU01, Species PAPAN (Papio anubis, Olive baboon), Gene AMZ2, Length 360 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
1M84.4Confident94.1Very high162 Ų16289.3 Ų89.380%0.79843%0.432SS*.  0123.20-168.6175.28000108.1T52 L53M1-T52 HydrophobicContact CE-CG2 4.34Å; M1-T52 HydrophobicContact CG-CG2 3.42Å; M1-T52 VanDerWaalsContact CG-CG2 3.42Å; M1-T52 HydrophobicContact SD-CG2 3.54Å; M1-T52 VanDerWaalsContact SD-CG2 3.54Å; M1-L53 CarbonylContact C-O 3.45Å; M1-L53 WeakPolarHBondContact CA-O 3.27Å; M1-L53 WeakPolarHBondContact CG-O 3.41Å
2Q93.3Very high94.4Very high125 Ų12587.8 Ų87.858%0.58442%0.422SS*.EExtended strand (participates in β ladder)trans-118.4138.6-179.2175.9-1770.700108.8L53Q2-L53 HydrophobicContact CB-CB 4.31Å; Q2-L53 PolarHBondContact N-O 2.96Å; Q2-L53 PolarHBondContact O-N 2.8Å
3I94.2Very high94.7Very high72 Ų7284 Ų8437%0.36941%0.408SS..EExtended strand (participates in β ladder)trans-107.4122.8177.2-57.8176.6000108.4R5 P50 I51I3-R5 HydrophobicContact CG2-CG 3.88Å; I3-P50 HydrophobicContact CG2-CB 3.59Å; I3-P50 HydrophobicContact CG2-CG 3.5Å; I3-I51 CarbonylContact C-O 3.51Å; I3-I51 WeakPolarHBondContact CA-O 3.41Å
4I93.3Very high94.9Very high39 Ų3978.1 Ų78.120%0.238%0.38CS..EExtended strand (participates in β ladder)trans-86.3114.9172.1-59.5167.4000107.9P50 I51 L53 I60I4-P50 VanDerWaalsContact O-CB 3.29Å; I4-P50 WeakPolarHBondContact O-CB 3.49Å; I4-I51 HydrophobicContact CB-CB 4.23Å; I4-I51 HydrophobicContact CD1-CB 4.44Å; I4-I51 HydrophobicContact CD1-CG2 4.25Å; I4-I51 PolarHBondContact N-O 2.74Å; I4-I51 PolarHBondContact O-N 2.53Å; I4-L53 HydrophobicContact CD1-CD1 3.75Å; I4-L53 HydrophobicContact CD1-CD2 4.21Å; I4-L53 HydrophobicContact CD1-CG 3.95Å; I4-L53 HydrophobicContact CG1-CD1 4.11Å; I4-L53 HydrophobicContact CG1-CG 4.32Å; I4-I60 HydrophobicContact CD1-CD1 4.26Å; I4-I60 HydrophobicContact CD1-CG2 4.1Å
5R93.4Very high95.1Very high179 Ų17972.9 Ų72.968%0.67535%0.354SS*.  trans-114133.3175-63.6-172.7176.6-134.4-1.1109.8I3 P50I3-R5 HydrophobicContact CG2-CG 3.88Å; R5-P50 HydrophobicContact CG-CB 4.15Å
6H94.5Very high95.3Very high58 Ų5870.5 Ų70.527%0.26934%0.343SS..  trans-101150170.1-64-82.3000109.1T10 L11 Q266 W267H6-T10 HydrophobicContact CB-CG2 4.19Å; H6-L11 HydrophobicContact CB-CD1 4.34Å; H6-L11 HydrophobicContact CB-CD2 3.82Å; H6-L11 HydrophobicContact CB-CG 3.8Å; H6-Q266 PolarHBondContact NE2-O 2.98Å; H6-W267 PolarHBondContact CD2-O 3.04Å; H6-W267 AromaticContact CE1-CE3 3.96Å; H6-W267 AromaticContact ND1-CZ3 4Å
7S95.4Very high95.4Very high64 Ų6466.9 Ų66.945%0.44833%0.327SS..  trans-67.8155.3173.273.40000110.4Q9 T10 L11S7-Q9 PolarHBondContact O-N 3.47Å; S7-T10 WeakPolarHBondContact O-CB 3.41Å; S7-T10 PolarHBondContact O-N 2.99Å; S7-T10 VanDerWaalsContact O-N 3.11Å; S7-T10 WeakPolarHBondContact OG-CB 3.39Å; S7-T10 PolarHBondContact OG-N 3.1Å; S7-T10 VanDerWaalsContact OG-N 3.1Å; S7-T10 PolarHBondContact OG-OG1 2.97Å; S7-L11 PolarHBondContact O-N 2.91Å
8E95.9Very high95.4Very high95 Ų9572.1 Ų72.144%0.44435%0.347SS..Hα-helixtrans-52.8-43.6172.8174.1175.2175.100111.6T10 L11 K12 F41E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 2.97Å; E8-L11 PolarHBondContact O-N 2.99Å; E8-K12 HydrophobicContact CG-CD 4.13Å; E8-K12 HydrophobicContact CG-CG 4.41Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 WeakPolarHBondContact O-CG 3.45Å; E8-K12 PolarHBondContact O-N 3.2Å; E8-K12 WeakPolarHBondContact OE1-CE 3.25Å; E8-K12 IonicContact OE1-NZ 2.62Å; E8-K12 PolarHBondContact OE1-NZ 3.28Å; E8-F41 HydrophobicContact CG-CB 4.02Å; E8-F41 HydrophobicContact CG-CG 4.46Å
9Q96.2Very high95.5Very high122 Ų12271.2 Ų71.257%0.5734%0.344SS*.Hα-helixtrans-63.3-38.9179.4-17559.129.200112.5S7 T13S7-Q9 PolarHBondContact O-N 3.47Å; Q9-T13 WeakPolarHBondContact O-CB 3.28Å; Q9-T13 PolarHBondContact O-N 2.95Å; Q9-T13 PolarHBondContact O-OG1 3.09Å
10T97Very high95.6Very high56 Ų5672.8 Ų72.834%0.34436%0.361SS..Hα-helixtrans-65.5-46.3175.6-65.80000110.6H6 S7 E8 T13 A14 W267H6-T10 HydrophobicContact CB-CG2 4.19Å; S7-T10 WeakPolarHBondContact O-CB 3.41Å; S7-T10 PolarHBondContact O-N 2.99Å; S7-T10 VanDerWaalsContact O-N 3.11Å; S7-T10 WeakPolarHBondContact OG-CB 3.39Å; S7-T10 PolarHBondContact OG-N 3.1Å; S7-T10 VanDerWaalsContact OG-N 3.1Å; S7-T10 PolarHBondContact OG-OG1 2.97Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 2.97Å; T10-T13 PolarHBondContact O-N 3.01Å; T10-A14 WeakPolarHBondContact O-CB 3.46Å; T10-A14 PolarHBondContact O-N 2.94Å; T10-W267 HydrophobicContact CG2-CE3 4.47Å; T10-W267 HydrophobicContact CG2-CH2 4.34Å; T10-W267 HydrophobicContact CG2-CZ3 3.6Å
11L97.6Very high95.6Very high10 Ų1074.3 Ų74.35%0.05237%0.374CS..Hα-helixtrans-65.1-40.6178.1-67.8175.2000112H6 S7 E8 T13 A14 L15 A40 F41 W267 L268 I291H6-L11 HydrophobicContact CB-CD1 4.34Å; H6-L11 HydrophobicContact CB-CD2 3.82Å; H6-L11 HydrophobicContact CB-CG 3.8Å; S7-L11 PolarHBondContact O-N 2.91Å; E8-L11 PolarHBondContact O-N 2.99Å; L11-T13 VanDerWaalsContact C-N 3.34Å; L11-T13 PolarHBondContact O-N 2.79Å; L11-A14 PolarHBondContact O-N 3.47Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.98Å; L11-A40 VanDerWaalsContact CD1-O 3.28Å; L11-A40 WeakPolarHBondContact CD1-O 3.48Å; L11-F41 VanDerWaalsContact C-CE1 3.43Å; L11-F41 HydrophobicContact CB-CD1 3.76Å; L11-F41 HydrophobicContact CB-CE1 3.81Å; L11-W267 HydrophobicContact CD2-CB 4.42Å; L11-W267 HydrophobicContact CD2-CE3 4.35Å; L11-L268 HydrophobicContact CD1-CD2 4.35Å; L11-L268 HydrophobicContact CD2-CD1 4.48Å; L11-L268 HydrophobicContact CD2-CD2 4.48Å; L11-L268 HydrophobicContact CD2-CG 4.27Å; L11-I291 HydrophobicContact CD2-CD1 4.49Å
12K97.5Very high96.3Very high72 Ų7266.7 Ų66.731%0.31334%0.336SS..Hα-helixtrans-59.2-46.5173.4-80.4-179.6-178.9172.70111.3E8 A14 L15 I16 F41E8-K12 HydrophobicContact CG-CD 4.13Å; E8-K12 HydrophobicContact CG-CG 4.41Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 WeakPolarHBondContact O-CG 3.45Å; E8-K12 PolarHBondContact O-N 3.2Å; E8-K12 WeakPolarHBondContact OE1-CE 3.25Å; E8-K12 IonicContact OE1-NZ 2.62Å; E8-K12 PolarHBondContact OE1-NZ 3.28Å; K12-A14 VanDerWaalsContact C-N 3.33Å; K12-A14 PolarHBondContact O-N 3.24Å; K12-L15 PolarHBondContact O-N 2.94Å; K12-I16 WeakPolarHBondContact O-CA 3.47Å; K12-I16 VanDerWaalsContact O-CB 3.26Å; K12-I16 WeakPolarHBondContact O-CB 3.19Å; K12-I16 PolarHBondContact O-N 3.19Å; K12-F41 HydrophobicContact CB-CE1 4.23Å; K12-F41 HydrophobicContact CB-CZ 4.17Å; K12-F41 HydrophobicContact CG-CD1 3.88Å; K12-F41 HydrophobicContact CG-CD2 3.86Å; K12-F41 HydrophobicContact CG-CE1 3.68Å; K12-F41 HydrophobicContact CG-CE2 3.62Å; K12-F41 HydrophobicContact CG-CG 3.99Å; K12-F41 HydrophobicContact CG-CZ 3.52Å; K12-F41 VanDerWaalsContact N-CE1 3.33Å
13T97.9Very high96.5Very high38 Ų3862.6 Ų62.623%0.23332%0.32CS..Hα-helixtrans-61.9-44.1176.5-57.30000110.8Q9 T10 L11 S17 K18Q9-T13 WeakPolarHBondContact O-CB 3.28Å; Q9-T13 PolarHBondContact O-N 2.95Å; Q9-T13 PolarHBondContact O-OG1 3.09Å; T10-T13 PolarHBondContact O-N 3.01Å; L11-T13 VanDerWaalsContact C-N 3.34Å; L11-T13 PolarHBondContact O-N 2.79Å; T13-S17 VanDerWaalsContact O-CA 3.27Å; T13-S17 WeakPolarHBondContact O-CA 3.31Å; T13-S17 PolarHBondContact O-N 3.4Å; T13-K18 HydrophobicContact CG2-CD 4.35Å; T13-K18 HydrophobicContact CG2-CG 4.17Å
14A98.3Very high96.6Very high2 Ų261.4 Ų61.42%0.01732%0.318CS..Hα-helixtrans-68.2-36.4-178.200000113.4T10 L11 K12 D69 F70 W267 I291T10-A14 WeakPolarHBondContact O-CB 3.46Å; T10-A14 PolarHBondContact O-N 2.94Å; L11-A14 PolarHBondContact O-N 3.47Å; K12-A14 VanDerWaalsContact C-N 3.33Å; K12-A14 PolarHBondContact O-N 3.24Å; A14-D69 HydrophobicContact CB-CB 4.01Å; A14-F70 WeakPolarHBondContact O-CB 3.37Å; A14-F70 PolarHBondContact O-N 2.79Å; A14-W267 HydrophobicContact CB-CD2 3.85Å; A14-W267 HydrophobicContact CB-CE3 3.95Å; A14-W267 HydrophobicContact CB-CH2 3.73Å; A14-W267 HydrophobicContact CB-CZ2 3.61Å; A14-W267 HydrophobicContact CB-CZ3 3.91Å; A14-I291 HydrophobicContact CB-CG1 4.35Å
15L98.4Very high96.8Very high0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-81.3-49.3179.6179.557.4000111.9L11 K12 Y26 M37 F41 P290 I291 R294L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 2.98Å; K12-L15 PolarHBondContact O-N 2.94Å; L15-Y26 HydrophobicContact CD2-CE2 4.44Å; L15-Y26 HydrophobicContact CG-CE2 4.23Å; L15-M37 HydrophobicContact CD1-SD 4.18Å; L15-M37 HydrophobicContact CD2-CB 4.11Å; L15-F41 HydrophobicContact CB-CE1 4.28Å; L15-F41 HydrophobicContact CB-CZ 4.08Å; L15-F41 HydrophobicContact CD2-CE1 3.95Å; L15-F41 HydrophobicContact CD2-CE2 4.22Å; L15-F41 HydrophobicContact CD2-CZ 3.41Å; L15-F41 VanDerWaalsContact CD2-CZ 3.41Å; L15-F41 HydrophobicContact CG-CZ 4.27Å; L15-P290 HydrophobicContact CD1-CB 4.18Å; L15-P290 WeakPolarHBondContact CD1-O 3.17Å; L15-P290 HydrophobicContact CD2-CB 4.15Å; L15-I291 HydrophobicContact CB-CG1 4.1Å; L15-I291 HydrophobicContact CD1-CG1 4.33Å; L15-R294 HydrophobicContact CD1-CB 3.98Å; L15-R294 VanDerWaalsContact O-CD 3.23Å; L15-R294 WeakPolarHBondContact O-CD 3.45Å; L15-R294 PolarHBondContact O-NH1 3.41Å
16I98Very high97Very high34 Ų3454.7 Ų54.717%0.17429%0.293CS..Hα-helixtrans-92.1-34.7-167.6-56.4-179.7000112.3K12 V23 Y26 F41 R294K12-I16 WeakPolarHBondContact O-CA 3.47Å; K12-I16 VanDerWaalsContact O-CB 3.26Å; K12-I16 WeakPolarHBondContact O-CB 3.19Å; K12-I16 PolarHBondContact O-N 3.19Å; I16-V23 HydrophobicContact CG2-CB 4.46Å; I16-V23 HydrophobicContact CG2-CG2 4.04Å; I16-Y26 HydrophobicContact CD1-CD1 4.1Å; I16-Y26 HydrophobicContact CD1-CE1 3.87Å; I16-Y26 HydrophobicContact CG1-CD1 4.03Å; I16-Y26 HydrophobicContact CG1-CE1 3.97Å; I16-Y26 HydrophobicContact CG1-CE2 4.49Å; I16-Y26 HydrophobicContact CG1-CG 4.31Å; I16-Y26 HydrophobicContact CG2-CD1 4.27Å; I16-Y26 HydrophobicContact CG2-CG 4.32Å; I16-F41 HydrophobicContact CD1-CE2 4.33Å; I16-F41 HydrophobicContact CD1-CZ 4.33Å; I16-F41 HydrophobicContact CG1-CZ 4.5Å; I16-R294 VanDerWaalsContact C-NH1 3.31Å; I16-R294 PolarHBondContact O-NH1 3.05Å
17S96.8Very high97.1Very high9 Ų957.8 Ų57.86%0.06331%0.308CS..  trans75.9161.4-164.7172.70000114.1T13 N19 V23 E71T13-S17 VanDerWaalsContact O-CA 3.27Å; T13-S17 WeakPolarHBondContact O-CA 3.31Å; T13-S17 PolarHBondContact O-N 3.4Å; S17-N19 VanDerWaalsContact OG-CB 3.25Å; S17-N19 WeakPolarHBondContact OG-CB 3.3Å; S17-N19 PolarHBondContact OG-N 3.24Å; S17-V23 WeakPolarHBondContact O-CG2 3.33Å; S17-E71 VanDerWaalsContact OG-CD 3.28Å; S17-E71 PolarHBondContact OG-OE2 2.94Å
18K95.4Very high97.1Very high161 Ų16162.8 Ų62.870%0.732%0.321SS*.SBendtrans-93-10168.2-68.7176.4-179.3178.10112.6T13 P20T13-K18 HydrophobicContact CG2-CD 4.35Å; T13-K18 HydrophobicContact CG2-CG 4.17Å; K18-P20 WeakPolarHBondContact O-CD 3.29Å
19N97.1Very high97.1Very high54 Ų5460 Ų6029%0.28931%0.309SS..SBendtrans-71.2120.6178.5-175.9-40.3000109.8S17 V21 L22 V23S17-N19 VanDerWaalsContact OG-CB 3.25Å; S17-N19 WeakPolarHBondContact OG-CB 3.3Å; S17-N19 PolarHBondContact OG-N 3.24Å; N19-V21 PolarHBondContact O-N 2.88Å; N19-V21 VanDerWaalsContact O-N 3.1Å; N19-V21 WeakPolarHBondContact OD1-CB 3.27Å; N19-V21 PolarHBondContact OD1-N 2.89Å; N19-L22 HydrophobicContact CB-CB 4.27Å; N19-L22 HydrophobicContact CB-CD1 4.17Å; N19-L22 HydrophobicContact CB-CG 4.04Å; N19-L22 PolarHBondContact O-N 2.53Å; N19-V23 WeakPolarHBondContact O-CG2 3.38Å; N19-V23 PolarHBondContact O-N 3.41Å
20P97Very high97.1Very high104 Ų10458.9 Ų58.968%0.67531%0.307SS*.Hα-helixtrans-55.9-31.7-176.5-26.934.9000114.3K18 S24K18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-S24 WeakPolarHBondContact O-CB 3.42Å; P20-S24 PolarHBondContact O-N 3.49Å
21V96.9Very high97.1Very high104 Ų10458.7 Ų58.763%0.6331%0.311SS*.Hα-helixtrans-67.3-43.8177.9-179.70000110.6N19 S24 Q25N19-V21 PolarHBondContact O-N 2.88Å; N19-V21 VanDerWaalsContact O-N 3.1Å; N19-V21 WeakPolarHBondContact OD1-CB 3.27Å; N19-V21 PolarHBondContact OD1-N 2.89Å; V21-S24 PolarHBondContact O-N 2.79Å; V21-Q25 WeakPolarHBondContact O-CB 3.48Å; V21-Q25 PolarHBondContact O-N 3.44Å
22L97.4Very high97.1Very high3 Ų358.2 Ų58.22%0.01631%0.309CS..Hα-helixtrans-74.9-30.9-179.4-57.8-173.2000112.2N19 Q25 Y26 F70 E71 F74 R294N19-L22 HydrophobicContact CB-CB 4.27Å; N19-L22 HydrophobicContact CB-CD1 4.17Å; N19-L22 HydrophobicContact CB-CG 4.04Å; N19-L22 PolarHBondContact O-N 2.53Å; L22-Q25 PolarHBondContact O-N 3.14Å; L22-Y26 PolarHBondContact O-N 3.36Å; L22-Y26 VanDerWaalsContact O-N 3.09Å; L22-F70 HydrophobicContact CB-CE1 4.46Å; L22-F70 HydrophobicContact CD1-CD1 4.24Å; L22-F70 HydrophobicContact CD1-CE1 4.32Å; L22-F70 HydrophobicContact CD2-CE1 4.19Å; L22-E71 HydrophobicContact CD1-CB 3.8Å; L22-E71 HydrophobicContact CD1-CG 3.8Å; L22-F74 HydrophobicContact CD1-CB 4.42Å; L22-F74 HydrophobicContact CD2-CD1 3.65Å; L22-F74 HydrophobicContact CD2-CD2 4.17Å; L22-F74 HydrophobicContact CD2-CE1 3.81Å; L22-F74 HydrophobicContact CD2-CE2 4.31Å; L22-F74 HydrophobicContact CD2-CG 3.84Å; L22-F74 HydrophobicContact CD2-CZ 4.14Å; L22-R294 PolarHBondContact O-NH2 2.82Å
23V97.8Very high97.1Very high39 Ų3955.5 Ų55.524%0.23630%0.297CS..Hα-helixtrans-61.9-53.7169.6174.50000109.6I16 S17 N19 Q25 Y26 E27I16-V23 HydrophobicContact CG2-CB 4.46Å; I16-V23 HydrophobicContact CG2-CG2 4.04Å; S17-V23 WeakPolarHBondContact O-CG2 3.33Å; N19-V23 WeakPolarHBondContact O-CG2 3.38Å; N19-V23 PolarHBondContact O-N 3.41Å; V23-Q25 PolarHBondContact O-N 3.46Å; V23-Y26 WeakPolarHBondContact O-CA 3.22Å; V23-Y26 WeakPolarHBondContact O-CB 3.36Å; V23-Y26 PolarHBondContact O-N 3.18Å; V23-E27 HydrophobicContact CG1-CG 4.41Å; V23-E27 WeakPolarHBondContact O-CG 3.3Å; V23-E27 PolarHBondContact O-N 3.01Å
24S97.3Very high97.1Very high46 Ų4655.8 Ų55.832%0.32230%0.296SS..Hα-helixtrans-59.8-35.2178.2-176.10000112.4P20 V21 Y26 K28P20-S24 WeakPolarHBondContact O-CB 3.42Å; P20-S24 PolarHBondContact O-N 3.49Å; V21-S24 PolarHBondContact O-N 2.79Å; S24-Y26 VanDerWaalsContact C-N 3.33Å; S24-K28 VanDerWaalsContact O-CG 3.28Å; S24-K28 WeakPolarHBondContact O-CG 3.43Å; S24-K28 PolarHBondContact O-N 3.12Å
25Q96.8Very high97Very high71 Ų7160.5 Ų60.533%0.33231%0.313SS..Hα-helixtrans-63.6-38.4173.8-169.3-172.19.300112.1V21 L22 V23V21-Q25 WeakPolarHBondContact O-CB 3.48Å; V21-Q25 PolarHBondContact O-N 3.44Å; L22-Q25 PolarHBondContact O-N 3.14Å; V23-Q25 PolarHBondContact O-N 3.46Å
26Y97.4Very high97Very high6 Ų660.5 Ų60.52%0.02431%0.313CS..Hα-helixtrans-69.3-43.4177.5-172-100.9000112L15 I16 L22 V23 S24 K28 L29 Q34 M37 N38L15-Y26 HydrophobicContact CD2-CE2 4.44Å; L15-Y26 HydrophobicContact CG-CE2 4.23Å; I16-Y26 HydrophobicContact CD1-CD1 4.1Å; I16-Y26 HydrophobicContact CD1-CE1 3.87Å; I16-Y26 HydrophobicContact CG1-CD1 4.03Å; I16-Y26 HydrophobicContact CG1-CE1 3.97Å; I16-Y26 HydrophobicContact CG1-CE2 4.49Å; I16-Y26 HydrophobicContact CG1-CG 4.31Å; I16-Y26 HydrophobicContact CG2-CD1 4.27Å; I16-Y26 HydrophobicContact CG2-CG 4.32Å; L22-Y26 PolarHBondContact O-N 3.36Å; L22-Y26 VanDerWaalsContact O-N 3.09Å; V23-Y26 WeakPolarHBondContact O-CA 3.22Å; V23-Y26 WeakPolarHBondContact O-CB 3.36Å; V23-Y26 PolarHBondContact O-N 3.18Å; S24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-K28 PolarHBondContact O-N 3.1Å; Y26-L29 HydrophobicContact CD2-CD1 3.72Å; Y26-L29 HydrophobicContact CE2-CD1 3.98Å; Y26-L29 HydrophobicContact CG-CD1 4.42Å; Y26-L29 VanDerWaalsContact O-CB 3.27Å; Y26-L29 WeakPolarHBondContact O-CB 3.33Å; Y26-L29 WeakPolarHBondContact O-CG 3.46Å; Y26-L29 PolarHBondContact O-N 3.35Å; Y26-Q34 HydrophobicContact CE1-CG 4.31Å; Y26-M37 HydrophobicContact CE2-CB 4.33Å; Y26-M37 HydrophobicContact CE2-SD 3.79Å; Y26-M37 VanDerWaalsContact OH-CB 3.25Å; Y26-M37 WeakPolarHBondContact OH-CB 3.23Å; Y26-N38 PolarHBondContact OH-OD1 3.05Å
27E96.6Very high97Very high124 Ų12458.9 Ų58.958%0.57931%0.305SS*.Hα-helixtrans-63.7-22.4179.9-69172.4161.700113.1V23 L29 Q34V23-E27 HydrophobicContact CG1-CG 4.41Å; V23-E27 WeakPolarHBondContact O-CG 3.3Å; V23-E27 PolarHBondContact O-N 3.01Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-Q34 PolarHBondContact O-NE2 3.38Å
28K96.6Very high97Very high168 Ų16860.9 Ų60.973%0.7332%0.315SS*.THydrogen-bonded Turntrans-81.1-9.4174.8-72.2172.4-172.6178.70114.2S24 Y26S24-K28 VanDerWaalsContact O-CG 3.28Å; S24-K28 WeakPolarHBondContact O-CG 3.43Å; S24-K28 PolarHBondContact O-N 3.12Å; Y26-K28 PolarHBondContact O-N 3.1Å
29L95.9Very high97Very high37 Ų3755.6 Ų55.619%0.19429%0.293CS..SBendtrans-63.6156.6174.7-66.1177.2000110.2Y26 E27 Q34 M37Y26-L29 HydrophobicContact CD2-CD1 3.72Å; Y26-L29 HydrophobicContact CE2-CD1 3.98Å; Y26-L29 HydrophobicContact CG-CD1 4.42Å; Y26-L29 VanDerWaalsContact O-CB 3.27Å; Y26-L29 WeakPolarHBondContact O-CB 3.33Å; Y26-L29 WeakPolarHBondContact O-CG 3.46Å; Y26-L29 PolarHBondContact O-N 3.35Å; E27-L29 VanDerWaalsContact C-N 3.35Å; L29-Q34 HydrophobicContact CB-CG 3.84Å; L29-Q34 PolarHBondContact O-NE2 3.42Å; L29-M37 HydrophobicContact CD1-CE 4.33Å; L29-M37 HydrophobicContact CD1-SD 4.36Å
30D95.8Very high96.9Very high98 Ų9853.4 Ų53.452%0.52428%0.282SS..  trans-56.1143173.3176-92.1000110.7G32 E33 Q34D30-G32 PolarHBondContact O-N 2.75Å; D30-G32 WeakPolarHBondContact OD1-CA 3.4Å; D30-G32 PolarHBondContact OD1-N 3.4Å; D30-E33 HydrophobicContact CB-CB 4.36Å; D30-E33 HydrophobicContact CB-CG 4.05Å; D30-E33 WeakPolarHBondContact O-CB 3.27Å; D30-E33 PolarHBondContact O-N 2.84Å; D30-E33 PolarHBondContact OD1-N 3.42Å; D30-Q34 PolarHBondContact O-N 3.44Å
31A96.6Very high96.7Very high52 Ų5249.1 Ų49.143%0.4325%0.253SS..Hα-helixtrans-60.1-33.4-17500000112.2R35A31-R35 VanDerWaalsContact C-CZ 3.49Å; A31-R35 VanDerWaalsContact C-NH1 3.31Å; A31-R35 VanDerWaalsContact CB-NH1 3.33Å; A31-R35 WeakPolarHBondContact O-CB 3.36Å; A31-R35 WeakPolarHBondContact O-CG 3.23Å; A31-R35 PolarHBondContact O-N 2.8Å; A31-R35 PolarHBondContact O-NH1 2.84Å
32G97.4Very high96.4Very high0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-67.7-41.2174.200000112.1D30 R35 L36D30-G32 PolarHBondContact O-N 2.75Å; D30-G32 WeakPolarHBondContact OD1-CA 3.4Å; D30-G32 PolarHBondContact OD1-N 3.4Å; G32-R35 VanDerWaalsContact N-NH2 3.19Å; G32-R35 WeakPolarHBondContact O-CB 3.45Å; G32-R35 PolarHBondContact O-N 2.94Å; G32-L36 PolarHBondContact O-N 3.01Å
33E97.6Very high95.4Very high15 Ų1554.6 Ų54.67%0.0728%0.282CS..Hα-helixtrans-64-42.3175.4-64.9-172.3154.400111.6D30 L36 M37 Q297 I304 L358D30-E33 HydrophobicContact CB-CB 4.36Å; D30-E33 HydrophobicContact CB-CG 4.05Å; D30-E33 WeakPolarHBondContact O-CB 3.27Å; D30-E33 PolarHBondContact O-N 2.84Å; D30-E33 PolarHBondContact OD1-N 3.42Å; E33-L36 PolarHBondContact O-N 3.2Å; E33-M37 WeakPolarHBondContact O-CB 3.4Å; E33-M37 WeakPolarHBondContact O-CG 3.43Å; E33-M37 PolarHBondContact O-N 2.79Å; E33-Q297 VanDerWaalsContact CD-NE2 3.26Å; E33-Q297 PolarHBondContact OE1-NE2 3.01Å; E33-Q297 PolarHBondContact OE2-NE2 3.06Å; E33-I304 HydrophobicContact CB-CD1 4Å; E33-I304 HydrophobicContact CG-CB 4.2Å; E33-I304 HydrophobicContact CG-CD1 3.88Å; E33-I304 HydrophobicContact CG-CG1 4.18Å; E33-I304 WeakPolarHBondContact OE1-CG1 2.99Å; E33-I304 PolarHBondContact OE1-N 2.77Å; E33-L358 HydrophobicContact CG-CD2 4.04Å
34Q97.5Very high94.3Very high45 Ų4557 Ų5721%0.2131%0.306CS..Hα-helixtrans-61.7-45.4173.1-66.1-174.951.100111.4Y26 E27 L29 D30 L36 M37 N38Y26-Q34 HydrophobicContact CE1-CG 4.31Å; E27-Q34 PolarHBondContact O-NE2 3.38Å; L29-Q34 HydrophobicContact CB-CG 3.84Å; L29-Q34 PolarHBondContact O-NE2 3.42Å; D30-Q34 PolarHBondContact O-N 3.44Å; Q34-L36 PolarHBondContact O-N 3.37Å; Q34-M37 PolarHBondContact O-N 3.07Å; Q34-N38 VanDerWaalsContact O-CB 3.25Å; Q34-N38 WeakPolarHBondContact O-CB 3.43Å; Q34-N38 PolarHBondContact O-N 2.93Å; Q34-N38 PolarHBondContact O-ND2 3.25Å; Q34-N38 PolarHBondContact O-OD1 2.66Å
35R97.1Very high93.6Very high101 Ų10155.7 Ų55.738%0.38130%0.297SS..Hα-helixtrans-55.2-51.9175.3-81-173.2-67.5-771.7111.1A31 G32 M37 N38 E39 V357 K360A31-R35 VanDerWaalsContact C-CZ 3.49Å; A31-R35 VanDerWaalsContact C-NH1 3.31Å; A31-R35 VanDerWaalsContact CB-NH1 3.33Å; A31-R35 WeakPolarHBondContact O-CB 3.36Å; A31-R35 WeakPolarHBondContact O-CG 3.23Å; A31-R35 PolarHBondContact O-N 2.8Å; A31-R35 PolarHBondContact O-NH1 2.84Å; G32-R35 VanDerWaalsContact N-NH2 3.19Å; G32-R35 WeakPolarHBondContact O-CB 3.45Å; G32-R35 PolarHBondContact O-N 2.94Å; R35-M37 PolarHBondContact O-N 3.22Å; R35-N38 PolarHBondContact O-N 2.95Å; R35-E39 PolarHBondContact O-N 3.2Å; R35-V357 HydrophobicContact CB-CG1 4.26Å; R35-K360 PolarHBondContact NE-OXT 3.03Å; R35-K360 PolarHBondContact NH2-OXT 3.2Å
36L97.9Very high93.2Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-60.3-46.2179.4178.570.4000111.8G32 E33 Q34 N38 E39 L47 F48 I304 Y308 C354 V357 L358G32-L36 PolarHBondContact O-N 3.01Å; E33-L36 PolarHBondContact O-N 3.2Å; Q34-L36 PolarHBondContact O-N 3.37Å; L36-N38 VanDerWaalsContact C-N 3.32Å; L36-N38 PolarHBondContact O-N 2.83Å; L36-E39 VanDerWaalsContact O-CB 3.27Å; L36-E39 WeakPolarHBondContact O-CB 3.21Å; L36-E39 PolarHBondContact O-N 2.67Å; L36-L47 HydrophobicContact CD1-CD1 4.05Å; L36-F48 HydrophobicContact CD1-CE2 4.12Å; L36-F48 HydrophobicContact CD1-CZ 4.29Å; L36-F48 HydrophobicContact CG-CE2 4.39Å; L36-F48 HydrophobicContact CG-CZ 4.43Å; L36-F48 WeakPolarHBondContact O-CE2 3.03Å; L36-I304 HydrophobicContact CD2-CG2 3.87Å; L36-Y308 HydrophobicContact CD2-CE2 3.77Å; L36-C354 HydrophobicContact CD1-CB 3.75Å; L36-C354 HydrophobicContact CD2-CB 4.4Å; L36-V357 HydrophobicContact CB-CG1 4.19Å; L36-V357 HydrophobicContact CD1-CB 4.24Å; L36-V357 HydrophobicContact CD1-CG1 4.29Å; L36-L358 HydrophobicContact CB-CD2 3.93Å; L36-L358 HydrophobicContact CB-CG 4.21Å; L36-L358 HydrophobicContact CD2-CD1 3.98Å; L36-L358 HydrophobicContact CD2-CD2 3.88Å; L36-L358 HydrophobicContact CD2-CG 3.91Å
37M97.3Very high93Very high0 Ų059.4 Ų59.40%032%0.319CS..Hα-helixtrans-66.9-35.1-178.7-76.5-160.4-16500112.5L15 Y26 L29 E33 Q34 R35 E39 A40 P290 L293 R294 I304L15-M37 HydrophobicContact CD1-SD 4.18Å; L15-M37 HydrophobicContact CD2-CB 4.11Å; Y26-M37 HydrophobicContact CE2-CB 4.33Å; Y26-M37 HydrophobicContact CE2-SD 3.79Å; Y26-M37 VanDerWaalsContact OH-CB 3.25Å; Y26-M37 WeakPolarHBondContact OH-CB 3.23Å; L29-M37 HydrophobicContact CD1-CE 4.33Å; L29-M37 HydrophobicContact CD1-SD 4.36Å; E33-M37 WeakPolarHBondContact O-CB 3.4Å; E33-M37 WeakPolarHBondContact O-CG 3.43Å; E33-M37 PolarHBondContact O-N 2.79Å; Q34-M37 PolarHBondContact O-N 3.07Å; R35-M37 PolarHBondContact O-N 3.22Å; M37-E39 PolarHBondContact O-N 2.75Å; M37-A40 VanDerWaalsContact O-CB 3.31Å; M37-A40 WeakPolarHBondContact O-CB 3.43Å; M37-A40 PolarHBondContact O-N 2.97Å; M37-P290 HydrophobicContact CB-CB 4.16Å; M37-P290 HydrophobicContact CG-CB 4.26Å; M37-P290 WeakPolarHBondContact O-CB 3.46Å; M37-L293 HydrophobicContact CE-CG 4.4Å; M37-R294 HydrophobicContact CE-CB 3.91Å; M37-R294 HydrophobicContact CE-CG 4.26Å; M37-R294 HydrophobicContact SD-CB 3.81Å; M37-R294 HydrophobicContact SD-CG 4.12Å; M37-I304 HydrophobicContact CE-CD1 3.53Å
38N96.8Very high92.9Very high51 Ų5154 Ų5427%0.27329%0.294SS..Hα-helixtrans-69.9-13.2177.8-69.4-13.3000113.5Y26 Q34 R35 L36 A40 F41Y26-N38 PolarHBondContact OH-OD1 3.05Å; Q34-N38 VanDerWaalsContact O-CB 3.25Å; Q34-N38 WeakPolarHBondContact O-CB 3.43Å; Q34-N38 PolarHBondContact O-N 2.93Å; Q34-N38 PolarHBondContact O-ND2 3.25Å; Q34-N38 PolarHBondContact O-OD1 2.66Å; R35-N38 PolarHBondContact O-N 2.95Å; L36-N38 VanDerWaalsContact C-N 3.32Å; L36-N38 PolarHBondContact O-N 2.83Å; N38-A40 PolarHBondContact O-N 3.46Å; N38-A40 VanDerWaalsContact O-N 3.14Å; N38-F41 HydrophobicContact CB-CD2 4.01Å; N38-F41 HydrophobicContact CB-CE2 4.13Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 WeakPolarHBondContact O-CD2 3.37Å; N38-F41 PolarHBondContact O-N 2.86Å; N38-F41 VanDerWaalsContact OD1-CE2 3.3Å; N38-F41 WeakPolarHBondContact OD1-CE2 3.42Å
39E96.5Very high92.8Very high50 Ų5047.3 Ų47.323%0.23427%0.273CS..G310 helixtrans-57.8-22.8168.9-69.6-72.4115.500112.1R35 L36 M37 F41 Q42 S45 L47 F48 V357R35-E39 PolarHBondContact O-N 3.2Å; L36-E39 VanDerWaalsContact O-CB 3.27Å; L36-E39 WeakPolarHBondContact O-CB 3.21Å; L36-E39 PolarHBondContact O-N 2.67Å; M37-E39 PolarHBondContact O-N 2.75Å; E39-F41 PolarHBondContact O-N 3.47Å; E39-F41 VanDerWaalsContact O-N 3.09Å; E39-Q42 PolarHBondContact O-N 3.5Å; E39-Q42 VanDerWaalsContact O-N 3.14Å; E39-S45 VanDerWaalsContact OE2-CB 3.28Å; E39-S45 WeakPolarHBondContact OE2-CB 3.26Å; E39-S45 PolarHBondContact OE2-OG 2.98Å; E39-L47 HydrophobicContact CG-CD1 4.12Å; E39-F48 HydrophobicContact CB-CD2 3.76Å; E39-F48 HydrophobicContact CB-CE2 4.02Å; E39-V357 HydrophobicContact CG-CG1 4.35Å
40A94.5Very high92.7Very high7 Ų747.7 Ų47.76%0.05828%0.278CS..G310 helixtrans-53.2-28170.500000113.7L11 M37 N38 L268 P290L11-A40 VanDerWaalsContact CD1-O 3.28Å; L11-A40 WeakPolarHBondContact CD1-O 3.48Å; M37-A40 VanDerWaalsContact O-CB 3.31Å; M37-A40 WeakPolarHBondContact O-CB 3.43Å; M37-A40 PolarHBondContact O-N 2.97Å; N38-A40 PolarHBondContact O-N 3.46Å; N38-A40 VanDerWaalsContact O-N 3.14Å; A40-L268 HydrophobicContact CB-CD1 3.97Å; A40-P290 HydrophobicContact CB-CB 4.1Å; A40-P290 HydrophobicContact CB-CG 3.85Å
41F93.8Very high92.7Very high14 Ų1443.1 Ų43.16%0.06125%0.253CS..G310 helixtrans-92.5-10.9-173.3-51.6-32.3000112.6E8 L11 K12 L15 I16 N38 E39 P43E8-F41 HydrophobicContact CG-CB 4.02Å; E8-F41 HydrophobicContact CG-CG 4.46Å; L11-F41 VanDerWaalsContact C-CE1 3.43Å; L11-F41 HydrophobicContact CB-CD1 3.76Å; L11-F41 HydrophobicContact CB-CE1 3.81Å; K12-F41 HydrophobicContact CB-CE1 4.23Å; K12-F41 HydrophobicContact CB-CZ 4.17Å; K12-F41 HydrophobicContact CG-CD1 3.88Å; K12-F41 HydrophobicContact CG-CD2 3.86Å; K12-F41 HydrophobicContact CG-CE1 3.68Å; K12-F41 HydrophobicContact CG-CE2 3.62Å; K12-F41 HydrophobicContact CG-CG 3.99Å; K12-F41 HydrophobicContact CG-CZ 3.52Å; K12-F41 VanDerWaalsContact N-CE1 3.33Å; L15-F41 HydrophobicContact CB-CE1 4.28Å; L15-F41 HydrophobicContact CB-CZ 4.08Å; L15-F41 HydrophobicContact CD2-CE1 3.95Å; L15-F41 HydrophobicContact CD2-CE2 4.22Å; L15-F41 HydrophobicContact CD2-CZ 3.41Å; L15-F41 VanDerWaalsContact CD2-CZ 3.41Å; L15-F41 HydrophobicContact CG-CZ 4.27Å; I16-F41 HydrophobicContact CD1-CE2 4.33Å; I16-F41 HydrophobicContact CD1-CZ 4.33Å; I16-F41 HydrophobicContact CG1-CZ 4.5Å; N38-F41 HydrophobicContact CB-CD2 4.01Å; N38-F41 HydrophobicContact CB-CE2 4.13Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 WeakPolarHBondContact O-CD2 3.37Å; N38-F41 PolarHBondContact O-N 2.86Å; N38-F41 VanDerWaalsContact OD1-CE2 3.3Å; N38-F41 WeakPolarHBondContact OD1-CE2 3.42Å; E39-F41 PolarHBondContact O-N 3.47Å; E39-F41 VanDerWaalsContact O-N 3.09Å; F41-P43 VanDerWaalsContact O-CD 3.31Å; F41-P43 WeakPolarHBondContact O-CD 3.3Å
42Q88.9Confident92.6Very high100 Ų10043 Ų4347%0.46725%0.247SC..  trans-90.9112.1-173.8-62.6-58.4-3200109.8E39 A44 S45E39-Q42 PolarHBondContact O-N 3.5Å; E39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-A44 PolarHBondContact O-N 3.29Å; Q42-A44 VanDerWaalsContact O-N 3.09Å; Q42-S45 PolarHBondContact O-N 2.62Å; Q42-S45 VanDerWaalsContact O-N 3.08Å
43P76.4Confident92.5Very high122 Ų12243.3 Ų43.379%0.79225%0.249SC*.THydrogen-bonded Turntrans-63.2-20-178.8-22.634.7000114.1F41F41-P43 VanDerWaalsContact O-CD 3.31Å; F41-P43 WeakPolarHBondContact O-CD 3.3Å
44A76.1Confident92.3Very high91 Ų9147 Ų4775%0.75227%0.266SS*.THydrogen-bonded Turntrans-99.73.3-179.800000113.6Q42Q42-A44 PolarHBondContact O-N 3.29Å; Q42-A44 VanDerWaalsContact O-N 3.09Å
45S82.4Confident92.1Very high17 Ų1746.5 Ų46.512%0.11927%0.267CS..  trans-76.5127.4177.8-1760000110.9E39 Q42 L47E39-S45 VanDerWaalsContact OE2-CB 3.28Å; E39-S45 WeakPolarHBondContact OE2-CB 3.26Å; E39-S45 PolarHBondContact OE2-OG 2.98Å; Q42-S45 PolarHBondContact O-N 2.62Å; Q42-S45 VanDerWaalsContact O-N 3.08Å; S45-L47 PolarHBondContact O-N 3.11Å; S45-L47 PolarHBondContact OG-N 2.83Å
46D87.1Confident91.8Very high142 Ų14247 Ų4776%0.75928%0.283SS*.SBendtrans-81.7-0.1173.8-64-29.5000112.7
47L94.4Very high91.5Very high14 Ų1449.7 Ų49.77%0.07330%0.302CS..SBendtrans-84.8-41.8-176.5-66.4-179000112.7L36 E39 S45 W350 K353 V357L36-L47 HydrophobicContact CD1-CD1 4.05Å; E39-L47 HydrophobicContact CG-CD1 4.12Å; S45-L47 PolarHBondContact O-N 3.11Å; S45-L47 PolarHBondContact OG-N 2.83Å; L47-W350 PolarHBondContact O-NE1 3.06Å; L47-K353 HydrophobicContact CD2-CB 3.71Å; L47-K353 HydrophobicContact CD2-CD 4.48Å; L47-V357 HydrophobicContact CD1-CG2 3.87Å
48F95.1Very high91.3Very high9 Ų949.7 Ų49.74%0.03930%0.302CS..SBendtrans-131.991.1-173.6-57.5-68000110.9L36 E39 L268 P290 W350L36-F48 HydrophobicContact CD1-CE2 4.12Å; L36-F48 HydrophobicContact CD1-CZ 4.29Å; L36-F48 HydrophobicContact CG-CE2 4.39Å; L36-F48 HydrophobicContact CG-CZ 4.43Å; L36-F48 WeakPolarHBondContact O-CE2 3.03Å; E39-F48 HydrophobicContact CB-CD2 3.76Å; E39-F48 HydrophobicContact CB-CE2 4.02Å; F48-L268 HydrophobicContact CB-CD1 4.27Å; F48-P290 HydrophobicContact CB-CG 4.45Å; F48-P290 VanDerWaalsContact CD1-CD 3.43Å; F48-P290 HydrophobicContact CD1-CG 3.83Å; F48-P290 HydrophobicContact CD2-CG 3.54Å; F48-P290 HydrophobicContact CE1-CG 3.79Å; F48-P290 HydrophobicContact CE2-CG 3.56Å; F48-P290 HydrophobicContact CG-CG 3.67Å; F48-P290 HydrophobicContact CZ-CG 3.67Å; F48-W350 HydrophobicContact CD1-CZ2 4.06Å; F48-W350 AromaticContact CE1-CH2 3.89Å; F48-W350 HydrophobicContact CE1-CH2 3.89Å; F48-W350 AromaticContact CE1-CZ2 3.47Å; F48-W350 HydrophobicContact CE1-CZ2 3.47Å; F48-W350 VanDerWaalsContact CE1-CZ2 3.47Å; F48-W350 HydrophobicContact CZ-CH2 4.22Å; F48-W350 AromaticContact CZ-CZ2 3.93Å; F48-W350 HydrophobicContact CZ-CZ2 3.93Å
49G93.1Very high91.1Very high28 Ų2849.6 Ų49.629%0.28930%0.298SS..PPolyproline II helixtrans-82.1162.4-177.100000114.8L268 A269G49-L268 WeakPolarHBondContact O-CD2 3.37Å; G49-A269 PolarHBondContact O-N 3.34Å
50P95Very high91Very high46 Ų4648.4 Ų48.430%0.29929%0.293SS..PPolyproline II helixtrans-65.3168.6171.431.1-36.3000111.6I3 I4 R5I3-P50 HydrophobicContact CG2-CB 3.59Å; I3-P50 HydrophobicContact CG2-CG 3.5Å; I4-P50 VanDerWaalsContact O-CB 3.29Å; I4-P50 WeakPolarHBondContact O-CB 3.49Å; R5-P50 HydrophobicContact CG-CB 4.15Å
51I94.9Very high90.9Very high1 Ų151.3 Ų51.31%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-80.6128.9176-59.6175.8000109.5I3 I4 L53 I60 Q266 L268 Q273I3-I51 CarbonylContact C-O 3.51Å; I3-I51 WeakPolarHBondContact CA-O 3.41Å; I4-I51 HydrophobicContact CB-CB 4.23Å; I4-I51 HydrophobicContact CD1-CB 4.44Å; I4-I51 HydrophobicContact CD1-CG2 4.25Å; I4-I51 PolarHBondContact N-O 2.74Å; I4-I51 PolarHBondContact O-N 2.53Å; I51-L53 HydrophobicContact CG2-CD2 4.22Å; I51-I60 HydrophobicContact CD1-CD1 3.93Å; I51-I60 HydrophobicContact CG2-CD1 3.9Å; I51-Q266 WeakPolarHBondContact CD1-O 3.01Å; I51-L268 VanDerWaalsContact CG1-C 3.49Å; I51-Q273 VanDerWaalsContact CG2-NE2 3.3Å
52T95Very high90.8Very high49 Ų4952.9 Ų52.930%0.30132%0.323SS..EExtended strand (participates in β ladder)trans-102.6119.3173.2-53.30000110.1M1 H54M1-T52 HydrophobicContact CE-CG2 4.34Å; M1-T52 HydrophobicContact CG-CG2 3.42Å; M1-T52 VanDerWaalsContact CG-CG2 3.42Å; M1-T52 HydrophobicContact SD-CG2 3.54Å; M1-T52 VanDerWaalsContact SD-CG2 3.54Å; T52-H54 WeakPolarHBondContact CG2-NE2 3.43Å
53L94.4Very high90.8Very high7 Ų751.7 Ų51.74%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-95129.9170.5-58179.7000109.8M1 Q2 I4 I51 D58 I60M1-L53 CarbonylContact C-O 3.45Å; M1-L53 WeakPolarHBondContact CA-O 3.27Å; M1-L53 WeakPolarHBondContact CG-O 3.41Å; Q2-L53 HydrophobicContact CB-CB 4.31Å; Q2-L53 PolarHBondContact N-O 2.96Å; Q2-L53 PolarHBondContact O-N 2.8Å; I4-L53 HydrophobicContact CD1-CD1 3.75Å; I4-L53 HydrophobicContact CD1-CD2 4.21Å; I4-L53 HydrophobicContact CD1-CG 3.95Å; I4-L53 HydrophobicContact CG1-CD1 4.11Å; I4-L53 HydrophobicContact CG1-CG 4.32Å; I51-L53 HydrophobicContact CG2-CD2 4.22Å; L53-D58 WeakPolarHBondContact CA-OD2 3.1Å; L53-D58 HydrophobicContact CD2-CB 4.16Å; L53-I60 HydrophobicContact CD2-CB 4.18Å; L53-I60 HydrophobicContact CD2-CD1 4.32Å
54H94.5Very high91.5Very high93 Ų9351.4 Ų51.443%0.43132%0.315SS..  trans-100.9-31.5-179.6-71.9-101000112.3T52 D58 R283T52-H54 WeakPolarHBondContact CG2-NE2 3.43Å; H54-D58 PolarHBondContact N-OD2 3.31Å; H54-R283 PolarHBondContact CD2-NE 3.43Å; H54-R283 VanDerWaalsContact CD2-NE 3.32Å
55S92.5Very high92.3Very high35 Ų3550.8 Ų50.825%0.24530%0.297CS..  trans-145.5160.4-175.678.40000113S57 D58S55-S57 PolarHBondContact O-N 3.18Å; S55-S57 PolarHBondContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 3.17Å; S55-D58 PolarHBondContact N-OD1 3.36Å; S55-D58 VanDerWaalsContact O-CB 3.29Å; S55-D58 WeakPolarHBondContact O-CB 3.48Å; S55-D58 PolarHBondContact O-N 3.11Å; S55-D58 VanDerWaalsContact O-N 3.16Å; S55-D58 PolarHBondContact OG-N 3.41Å; S55-D58 PolarHBondContact OG-OD1 2.79Å
56P91.4Very high92.9Very high110 Ų11053.3 Ų53.371%0.71432%0.319SS*.THydrogen-bonded Turntrans-64-18.6169.2-21.934000114D58 T61P56-D58 VanDerWaalsContact C-N 3.3Å; P56-T61 WeakPolarHBondContact O-CB 3.49Å
57S91.2Very high93.3Very high57 Ų5748.8 Ų48.840%0.39930%0.297SS..THydrogen-bonded Turntrans-81.6-6.4174.446.20000113.9S55 S62 N276S55-S57 PolarHBondContact O-N 3.18Å; S55-S57 PolarHBondContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 3.17Å; S57-S62 PolarHBondContact O-OG 2.86Å; S57-N276 WeakPolarHBondContact O-CB 3.26Å; S57-N276 PolarHBondContact O-ND2 3.17Å
58D93.3Very high93.4Very high1 Ų148.2 Ų48.21%0.00529%0.294CS..SBendtrans-59146.9173.7-73.423.8000109.7L53 H54 S55 P56 I60 T61 S62 E280 R283L53-D58 WeakPolarHBondContact CA-OD2 3.1Å; L53-D58 HydrophobicContact CD2-CB 4.16Å; H54-D58 PolarHBondContact N-OD2 3.31Å; S55-D58 PolarHBondContact N-OD1 3.36Å; S55-D58 VanDerWaalsContact O-CB 3.29Å; S55-D58 WeakPolarHBondContact O-CB 3.48Å; S55-D58 PolarHBondContact O-N 3.11Å; S55-D58 VanDerWaalsContact O-N 3.16Å; S55-D58 PolarHBondContact OG-N 3.41Å; S55-D58 PolarHBondContact OG-OD1 2.79Å; P56-D58 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.3Å; D58-T61 PolarHBondContact O-N 2.84Å; D58-T61 VanDerWaalsContact O-N 3.13Å; D58-S62 PolarHBondContact O-N 3.49Å; D58-S62 PolarHBondContact O-OG 2.98Å; D58-E280 WeakPolarHBondContact CA-OE1 3.19Å; D58-E280 VanDerWaalsContact CB-OE1 3.26Å; D58-E280 WeakPolarHBondContact CB-OE1 3.31Å; D58-R283 IonicContact OD1-NH2 2.7Å; D58-R283 IonicContact OD2-NH2 3.4Å
59W93.3Very high93.6Very high49 Ų4949.1 Ų49.119%0.18630%0.299CS..Hα-helixtrans-52.9-48-169.8-178.4-85.4000113.3T61 S62 H63 E65 H264 G274 N276 E280W59-T61 PolarHBondContact O-N 3.23Å; W59-S62 WeakPolarHBondContact CA-OG 3.36Å; W59-S62 PolarHBondContact O-N 2.77Å; W59-S62 PolarHBondContact O-OG 3.43Å; W59-H63 HydrophobicContact CD2-CB 4.15Å; W59-H63 AromaticContact CE3-ND1 3.86Å; W59-H63 HydrophobicContact CZ2-CB 4.12Å; W59-H63 WeakPolarHBondContact O-CA 3.34Å; W59-H63 WeakPolarHBondContact O-CB 3.27Å; W59-H63 PolarHBondContact O-N 2.94Å; W59-E65 PolarHBondContact NE1-OE2 2.82Å; W59-H264 AromaticContact CE2-CE1 3.6Å; W59-H264 AromaticContact CE2-ND1 3.63Å; W59-H264 AromaticContact CZ2-CE1 3.36Å; W59-H264 WeakPolarHBondContact CZ2-CE1 3.39Å; W59-H264 AromaticContact CZ2-ND1 3.68Å; W59-H264 AromaticContact NE1-CE1 3.78Å; W59-H264 AromaticContact NE1-ND1 3.33Å; W59-H264 PolarHBondContact NE1-ND1 3.38Å; W59-G274 VanDerWaalsContact CB-C 3.47Å; W59-G274 WeakPolarHBondContact CB-O 3.29Å; W59-G274 VanDerWaalsContact CG-C 3.48Å; W59-N276 HydrophobicContact CB-CB 4.46Å; W59-N276 HydrophobicContact CE3-CB 4.2Å; W59-E280 PolarHBondContact N-OE1 2.73Å; W59-E280 PolarHBondContact N-OE2 2.95Å; W59-E280 VanDerWaalsContact N-OE2 3.09Å
60I93.8Very high93.8Very high25 Ų2547.9 Ų47.913%0.12829%0.286CS..Hα-helixtrans-58.7-36.6-176.1-68.3175.4000111.9I4 I51 L53 D58 Q266I4-I60 HydrophobicContact CD1-CD1 4.26Å; I4-I60 HydrophobicContact CD1-CG2 4.1Å; I51-I60 HydrophobicContact CD1-CD1 3.93Å; I51-I60 HydrophobicContact CG2-CD1 3.9Å; L53-I60 HydrophobicContact CD2-CB 4.18Å; L53-I60 HydrophobicContact CD2-CD1 4.32Å; D58-I60 PolarHBondContact O-N 3.3Å; I60-Q266 HydrophobicContact CD1-CG 4.41Å; I60-Q266 HydrophobicContact CG1-CG 4.41Å
61T92.3Very high94Very high68 Ų6848.7 Ų48.742%0.41729%0.286SS..Hα-helixtrans-80.7-40.5179.9-51.40000111.4P56 D58 W59P56-T61 WeakPolarHBondContact O-CB 3.49Å; D58-T61 PolarHBondContact O-N 2.84Å; D58-T61 VanDerWaalsContact O-N 3.13Å; W59-T61 PolarHBondContact O-N 3.23Å
62S91.3Very high94.1Very high46 Ų4652.7 Ų52.732%0.32231%0.305SS..Hα-helixtrans-81.4-25.7-174.253.20000114S57 D58 W59S57-S62 PolarHBondContact O-OG 2.86Å; D58-S62 PolarHBondContact O-N 3.49Å; D58-S62 PolarHBondContact O-OG 2.98Å; W59-S62 WeakPolarHBondContact CA-OG 3.36Å; W59-S62 PolarHBondContact O-N 2.77Å; W59-S62 PolarHBondContact O-OG 3.43Å
63H89.5Confident94.2Very high76 Ų7650.4 Ų50.435%0.35229%0.29SS..SBendtrans-132.679.6-177.1-59.982000109.4W59 E65 N276W59-H63 HydrophobicContact CD2-CB 4.15Å; W59-H63 AromaticContact CE3-ND1 3.86Å; W59-H63 HydrophobicContact CZ2-CB 4.12Å; W59-H63 WeakPolarHBondContact O-CA 3.34Å; W59-H63 WeakPolarHBondContact O-CB 3.27Å; W59-H63 PolarHBondContact O-N 2.94Å; H63-E65 PolarHBondContact O-N 3.47Å; H63-E65 VanDerWaalsContact O-N 3.14Å; H63-N276 PolarHBondContact CE1-OD1 2.86Å
64P90.9Very high94.3Very high116 Ų11653.3 Ų53.375%0.75330%0.303SS*.  trans-60.6118.5-179.4-23.434.2000111.6
65E93.3Very high94.3Very high78 Ų7852.3 Ų52.336%0.36431%0.306SS..  trans-125.5153.2176.7-67.2170.313200109W59 H63 H264 Q266W59-E65 PolarHBondContact NE1-OE2 2.82Å; H63-E65 PolarHBondContact O-N 3.47Å; H63-E65 VanDerWaalsContact O-N 3.14Å; E65-H264 IonicContact OE1-CE1 3.1Å; E65-H264 IonicContact OE1-ND1 3.79Å; E65-H264 PolarHBondContact OE1-ND1 2.64Å; E65-H264 VanDerWaalsContact OE1-ND1 3.16Å; E65-H264 WeakPolarHBondContact OE2-CB 3.21Å; E65-H264 IonicContact OE2-CG 2.89Å; E65-H264 IonicContact OE2-ND1 2.76Å; E65-H264 PolarHBondContact OE2-ND1 2.99Å; E65-Q266 VanDerWaalsContact C-NE2 3.33Å; E65-Q266 PolarHBondContact O-NE2 2.9Å; E65-Q266 PolarHBondContact O-OE1 3.06Å
66A94.3Very high94.3Very high70 Ų7052.2 Ų52.258%0.57930%0.303SS*.  trans-76.7137.9171.600000110.3
67P95.9Very high94.2Very high46 Ų4652.4 Ų52.430%0.29930%0.304SS..  trans-62.3147.3171.728.1-34.7000110Q72 Q266 W267P67-Q72 PolarHBondContact O-OE1 3.1Å; P67-Q72 VanDerWaalsContact O-OE1 3.11Å; P67-Q266 HydrophobicContact CB-CB 4.24Å; P67-W267 HydrophobicContact CB-CH2 4.21Å; P67-W267 HydrophobicContact CB-CZ2 3.7Å; P67-W267 HydrophobicContact CG-CH2 4.28Å; P67-W267 HydrophobicContact CG-CZ2 4.16Å
68Q97.6Very high93.8Very high2 Ų258.7 Ų58.71%0.00932%0.321CS..  trans-106.7115.2172-170.1-166.247.400108.5Q72 F73 G261 R263 W267 K295Q68-Q72 VanDerWaalsContact CA-OE1 3.27Å; Q68-Q72 HydrophobicContact CG-CB 4.16Å; Q68-F73 HydrophobicContact CG-CB 4.24Å; Q68-G261 PolarHBondContact NE2-O 2.64Å; Q68-G261 PolarHBondContact OE1-O 3.01Å; Q68-R263 HydrophobicContact CB-CB 4.04Å; Q68-R263 HydrophobicContact CB-CG 4.34Å; Q68-R263 HydrophobicContact CG-CG 4.46Å; Q68-W267 PolarHBondContact O-NE1 3.03Å; Q68-K295 PolarHBondContact O-NZ 3.48Å
69D98.3Very high93.5Very high29 Ų2961 Ų6116%0.15533%0.329CS..  trans-81.3-178.1169.462.740.4000112.3A14 E71 Q72 F73 W267 K295A14-D69 HydrophobicContact CB-CB 4.01Å; D69-E71 PolarHBondContact OD1-N 2.91Å; D69-Q72 WeakPolarHBondContact OD1-CB 3.43Å; D69-Q72 VanDerWaalsContact OD1-CG 3.3Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.32Å; D69-Q72 PolarHBondContact OD1-N 2.69Å; D69-F73 WeakPolarHBondContact O-CB 3.46Å; D69-F73 PolarHBondContact O-N 2.84Å; D69-W267 HydrophobicContact CB-CZ2 3.92Å; D69-K295 WeakPolarHBondContact O-CE 3.38Å
70F98.4Very high93.1Very high1 Ų161.1 Ų61.10%0.00433%0.331CS..Hα-helixtrans-66.7-38.7177.7-178.5-99.5000112.9A14 L22 F73 F74 R294 K295 C298A14-F70 WeakPolarHBondContact O-CB 3.37Å; A14-F70 PolarHBondContact O-N 2.79Å; L22-F70 HydrophobicContact CB-CE1 4.46Å; L22-F70 HydrophobicContact CD1-CD1 4.24Å; L22-F70 HydrophobicContact CD1-CE1 4.32Å; L22-F70 HydrophobicContact CD2-CE1 4.19Å; F70-F73 PolarHBondContact O-N 3.21Å; F70-F74 HydrophobicContact CE1-CB 4.31Å; F70-F74 HydrophobicContact CE1-CD2 4.29Å; F70-F74 HydrophobicContact CZ-CD2 4.09Å; F70-F74 VanDerWaalsContact O-CB 3.3Å; F70-F74 WeakPolarHBondContact O-CB 3.5Å; F70-F74 PolarHBondContact O-N 3.17Å; F70-R294 HydrophobicContact CD2-CB 4.1Å; F70-R294 HydrophobicContact CD2-CG 3.69Å; F70-R294 HydrophobicContact CE2-CB 4.31Å; F70-R294 HydrophobicContact CE2-CG 3.59Å; F70-R294 HydrophobicContact CG-CG 4.42Å; F70-R294 HydrophobicContact CZ-CG 4.23Å; F70-K295 HydrophobicContact CD2-CG 3.99Å; F70-C298 HydrophobicContact CE2-CB 3.79Å; F70-C298 HydrophobicContact CZ-CB 3.97Å
71E97.9Very high92.8Very high64 Ų6463.4 Ų63.430%0.29935%0.346SS..Hα-helixtrans-68.2-45.2-177.9179.8168.5179.400111.8S17 L22 D69 F73 F74 S75S17-E71 VanDerWaalsContact OG-CD 3.28Å; S17-E71 PolarHBondContact OG-OE2 2.94Å; L22-E71 HydrophobicContact CD1-CB 3.8Å; L22-E71 HydrophobicContact CD1-CG 3.8Å; D69-E71 PolarHBondContact OD1-N 2.91Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.3Å; E71-F74 PolarHBondContact O-N 3.36Å; E71-S75 VanDerWaalsContact O-CB 3.29Å; E71-S75 WeakPolarHBondContact O-CB 3.26Å; E71-S75 PolarHBondContact O-N 3.33Å; E71-S75 PolarHBondContact O-OG 3.17Å
72Q97.5Very high92.8Very high85 Ų8561.2 Ų61.240%0.39733%0.333SS..Hα-helixtrans-60.1-41.1174-70.9173.8-33.800111.3P67 Q68 D69 D76P67-Q72 PolarHBondContact O-OE1 3.1Å; P67-Q72 VanDerWaalsContact O-OE1 3.11Å; Q68-Q72 VanDerWaalsContact CA-OE1 3.27Å; Q68-Q72 HydrophobicContact CG-CB 4.16Å; D69-Q72 WeakPolarHBondContact OD1-CB 3.43Å; D69-Q72 VanDerWaalsContact OD1-CG 3.3Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.32Å; D69-Q72 PolarHBondContact OD1-N 2.69Å; Q72-D76 WeakPolarHBondContact O-CB 3.47Å; Q72-D76 PolarHBondContact O-N 2.76Å
73F96.9Very high92.7Very high0 Ų061.2 Ų61.20%033%0.333CS..Hα-helixtrans-64-47.4173.2167.7-98.5000111.7Q68 D69 F70 E71 S75 D76 R79 F260 L262 K295 A299Q68-F73 HydrophobicContact CG-CB 4.24Å; D69-F73 WeakPolarHBondContact O-CB 3.46Å; D69-F73 PolarHBondContact O-N 2.84Å; F70-F73 PolarHBondContact O-N 3.21Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.3Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.37Å; F73-D76 PolarHBondContact O-N 3.38Å; F73-R79 VanDerWaalsContact CE1-CD 3.44Å; F73-R79 HydrophobicContact CE2-CG 3.94Å; F73-R79 HydrophobicContact CZ-CG 3.99Å; F73-R79 WeakPolarHBondContact O-CD 3.32Å; F73-F260 VanDerWaalsContact CE2-O 3.31Å; F73-F260 WeakPolarHBondContact CE2-O 3.48Å; F73-L262 HydrophobicContact CE2-CD1 3.79Å; F73-L262 HydrophobicContact CE2-CG 4.44Å; F73-L262 HydrophobicContact CZ-CD1 4.2Å; F73-K295 HydrophobicContact CB-CD 3.77Å; F73-K295 HydrophobicContact CB-CG 3.87Å; F73-K295 HydrophobicContact CD1-CB 3.68Å; F73-K295 HydrophobicContact CD1-CD 4.19Å; F73-K295 HydrophobicContact CD1-CG 3.51Å; F73-K295 HydrophobicContact CD2-CB 4.24Å; F73-K295 HydrophobicContact CD2-CD 3.98Å; F73-K295 HydrophobicContact CD2-CG 4.16Å; F73-K295 HydrophobicContact CE1-CB 3.6Å; F73-K295 HydrophobicContact CE1-CG 4Å; F73-K295 VanDerWaalsContact CE1-O 3.23Å; F73-K295 WeakPolarHBondContact CE1-O 3.34Å; F73-K295 HydrophobicContact CE2-CB 4.18Å; F73-K295 HydrophobicContact CG-CB 3.98Å; F73-K295 HydrophobicContact CG-CD 3.72Å; F73-K295 HydrophobicContact CG-CG 3.57Å; F73-K295 HydrophobicContact CZ-CB 3.85Å; F73-K295 WeakPolarHBondContact CZ-O 3.22Å; F73-A299 HydrophobicContact CZ-CB 4.33Å
74F96.3Very high92.6Very high68 Ų6863.2 Ų63.230%0.29835%0.353SS..Hα-helixtrans-64.9-37.4-175.2-174-88.3000112.2L22 F70 E71 R79L22-F74 HydrophobicContact CD1-CB 4.42Å; L22-F74 HydrophobicContact CD2-CD1 3.65Å; L22-F74 HydrophobicContact CD2-CD2 4.17Å; L22-F74 HydrophobicContact CD2-CE1 3.81Å; L22-F74 HydrophobicContact CD2-CE2 4.31Å; L22-F74 HydrophobicContact CD2-CG 3.84Å; L22-F74 HydrophobicContact CD2-CZ 4.14Å; F70-F74 HydrophobicContact CE1-CB 4.31Å; F70-F74 HydrophobicContact CE1-CD2 4.29Å; F70-F74 HydrophobicContact CZ-CD2 4.09Å; F70-F74 VanDerWaalsContact O-CB 3.3Å; F70-F74 WeakPolarHBondContact O-CB 3.5Å; F70-F74 PolarHBondContact O-N 3.17Å; E71-F74 PolarHBondContact O-N 3.36Å; F74-R79 PolarHBondContact O-NH2 3.3Å
75S95.1Very high92.5Very high73 Ų7363.7 Ų63.751%0.5135%0.349SS..THydrogen-bonded Turntrans-88.9-4.6-175.7-46.80000113.3E71 F73 P77E71-S75 VanDerWaalsContact O-CB 3.29Å; E71-S75 WeakPolarHBondContact O-CB 3.26Å; E71-S75 PolarHBondContact O-N 3.33Å; E71-S75 PolarHBondContact O-OG 3.17Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.37Å; S75-P77 VanDerWaalsContact O-CD 3.31Å; S75-P77 WeakPolarHBondContact O-CD 3.34Å
76D92.9Very high92.3Very high32 Ų3265.3 Ų65.317%0.17136%0.355CS..  trans-69.4115178.8-165-34.3000109.6Q72 F73 Y78 R79 R263Q72-D76 WeakPolarHBondContact O-CB 3.47Å; Q72-D76 PolarHBondContact O-N 2.76Å; F73-D76 PolarHBondContact O-N 3.38Å; D76-Y78 PolarHBondContact O-N 3.4Å; D76-Y78 WeakPolarHBondContact OD1-CB 3.15Å; D76-Y78 WeakPolarHBondContact OD1-CD2 3.47Å; D76-Y78 PolarHBondContact OD1-N 3.3Å; D76-R79 HydrophobicContact CB-CB 4.32Å; D76-R79 WeakPolarHBondContact O-CB 3.49Å; D76-R79 PolarHBondContact O-N 3.18Å; D76-R263 IonicContact OD2-NH2 3.07Å; D76-R263 PolarHBondContact OD2-NH2 3.45Å
77P87.9Confident92.3Very high114 Ų11463.1 Ų63.174%0.7434%0.335SS*.THydrogen-bonded Turntrans-67.9-16.3-178.929.5-35.7000112.6S75S75-P77 VanDerWaalsContact O-CD 3.31Å; S75-P77 WeakPolarHBondContact O-CD 3.34Å
78Y83.7Confident92.3Very high190 Ų19060.9 Ų60.975%0.74532%0.321SS*.THydrogen-bonded Turntrans-91.6-1.3176.5-55.3-75000112.6D76 K80D76-Y78 PolarHBondContact O-N 3.4Å; D76-Y78 WeakPolarHBondContact OD1-CB 3.15Å; D76-Y78 WeakPolarHBondContact OD1-CD2 3.47Å; D76-Y78 PolarHBondContact OD1-N 3.3Å; Y78-K80 PolarHBondContact O-N 3.01Å
79R86.1Confident92.3Very high49 Ų4960.8 Ų60.819%0.18532%0.321CS..  trans-59.3133.1172179.2176.760.1157.1-1.8109.7F73 F74 D76 T81 F260F73-R79 VanDerWaalsContact CE1-CD 3.44Å; F73-R79 HydrophobicContact CE2-CG 3.94Å; F73-R79 HydrophobicContact CZ-CG 3.99Å; F73-R79 WeakPolarHBondContact O-CD 3.32Å; F74-R79 PolarHBondContact O-NH2 3.3Å; D76-R79 HydrophobicContact CB-CB 4.32Å; D76-R79 WeakPolarHBondContact O-CB 3.49Å; D76-R79 PolarHBondContact O-N 3.18Å; R79-T81 HydrophobicContact CG-CG2 4.47Å; R79-F260 WeakPolarHBondContact CG-O 3.35Å
80K84.6Confident92.3Very high51 Ų5160.3 Ų60.322%0.22232%0.317CS..  trans-102.4127172.8-67.2-168.2167.8-177.70111.3Y78 F168 L193 T194Y78-K80 PolarHBondContact O-N 3.01Å; K80-F168 HydrophobicContact CB-CE2 3.89Å; K80-F168 HydrophobicContact CB-CZ 4.11Å; K80-L193 VanDerWaalsContact CD-O 3.32Å; K80-L193 WeakPolarHBondContact CD-O 3.41Å; K80-L193 WeakPolarHBondContact CE-O 3.31Å; K80-L193 PolarHBondContact NZ-O 3.45Å; K80-T194 WeakPolarHBondContact CE-O 3.39Å; K80-T194 PolarHBondContact NZ-O 3.12Å
81T89.1Confident92.3Very high73 Ų7360.3 Ų60.345%0.44832%0.317SS..  trans-114.4136.4170.752.40000109.2R79 A299R79-T81 HydrophobicContact CG-CG2 4.47Å; T81-A299 HydrophobicContact CG2-CB 4.21Å
82P91.6Very high92.2Very high23 Ų2357.7 Ų57.715%0.14930%0.304CS..  trans-51.6142167.2-25.434000111K86 C87 L122 F168 F260 A299P82-K86 WeakPolarHBondContact CA-O 3.44Å; P82-C87 HydrophobicContact CB-CB 4.5Å; P82-L122 HydrophobicContact CB-CD2 3.82Å; P82-L122 HydrophobicContact CG-CD1 3.97Å; P82-L122 HydrophobicContact CG-CD2 3.82Å; P82-F168 HydrophobicContact CB-CD2 4.16Å; P82-F168 HydrophobicContact CG-CD1 4.5Å; P82-F168 HydrophobicContact CG-CD2 3.82Å; P82-F168 HydrophobicContact CG-CE2 3.89Å; P82-F168 HydrophobicContact CG-CG 4.14Å; P82-F168 HydrophobicContact CG-CZ 4.27Å; P82-F260 HydrophobicContact CG-CE1 3.65Å; P82-F260 HydrophobicContact CG-CZ 4.35Å; P82-A299 WeakPolarHBondContact CD-O 3.46Å
83S89.9Confident92.2Very high45 Ų4553.8 Ų53.832%0.31529%0.287SS..  trans-113.5165.9170.4730000109.3D85 K86 C87S83-D85 PolarHBondContact O-N 3.42Å; S83-D85 VanDerWaalsContact O-N 3.14Å; S83-D85 PolarHBondContact OG-N 2.88Å; S83-K86 PolarHBondContact N-O 2.9Å; S83-K86 CarbonylContact O-C 3.17Å; S83-K86 PolarHBondContact O-N 3.46Å; S83-K86 PolarHBondContact OG-N 3.33Å; S83-C87 WeakPolarHBondContact O-CB 3.45Å; S83-C87 PolarHBondContact O-N 3.38Å
84P86.6Confident92.1Very high119 Ų11953.8 Ų53.877%0.77329%0.287SS*.SBendtrans-50.1-38.2173.6-29.237000113C87P84-C87 PolarHBondContact O-SG 3.08Å
85D88.1Confident91.9Very high126 Ų12651.1 Ų51.167%0.67428%0.278SS*.SBendtrans-79.4-31.3177.9-52.3-46.9000113.3S83 D166S83-D85 PolarHBondContact O-N 3.42Å; S83-D85 VanDerWaalsContact O-N 3.14Å; S83-D85 PolarHBondContact OG-N 2.88Å; D85-D166 VanDerWaalsContact O-CA 3.22Å; D85-D166 WeakPolarHBondContact O-CA 3.35Å; D85-D166 WeakPolarHBondContact O-CB 3.46Å
86K90.4Very high91.7Very high111 Ų11150.1 Ų50.148%0.48327%0.271SS..SBendtrans-119.571.9-177.2-65.4-173.3178.3176.90111.4P82 S83 D166 F168P82-K86 WeakPolarHBondContact CA-O 3.44Å; S83-K86 PolarHBondContact N-O 2.9Å; S83-K86 CarbonylContact O-C 3.17Å; S83-K86 PolarHBondContact O-N 3.46Å; S83-K86 PolarHBondContact OG-N 3.33Å; K86-D166 WeakPolarHBondContact CA-O 3.42Å; K86-F168 WeakPolarHBondContact O-CB 3.25Å
87C93.1Very high91.6Very high24 Ų2448.6 Ų48.616%0.16226%0.263CS..  trans-124.214-17763.10000114.3P82 S83 P84 L122 R123 D166P82-C87 HydrophobicContact CB-CB 4.5Å; S83-C87 WeakPolarHBondContact O-CB 3.45Å; S83-C87 PolarHBondContact O-N 3.38Å; P84-C87 PolarHBondContact O-SG 3.08Å; C87-L122 HydrophobicContact CB-CD2 4.17Å; C87-R123 PolarHBondContact O-N 3.16Å; C87-R123 VanDerWaalsContact O-N 3.1Å; C87-R123 VanDerWaalsContact SG-CZ 3.54Å; C87-R123 PolarHBondContact SG-NH2 3Å; C87-D166 PolarHBondContact N-O 3.29Å
88S97.2Very high91.5Very high0 Ų043.2 Ų43.20%023%0.228CC..EExtended strand (participates in β ladder)trans-105.1130.1179.2-58.20000111.9Y90 R123 D166 A167 F168 C169S88-Y90 VanDerWaalsContact CB-CE2 3.5Å; S88-R123 CarbonylContact C-O 3.57Å; S88-R123 WeakPolarHBondContact CA-O 3.25Å; S88-R123 PolarHBondContact OG-NE 2.71Å; S88-D166 WeakPolarHBondContact CB-O 3.49Å; S88-D166 WeakPolarHBondContact CB-OD2 3.37Å; S88-D166 PolarHBondContact N-O 3.02Å; S88-D166 PolarHBondContact OG-OD2 3.09Å; S88-A167 CarbonylContact O-C 3.58Å; S88-A167 WeakPolarHBondContact O-CA 3.35Å; S88-F168 PolarHBondContact O-N 2.86Å; S88-C169 PolarHBondContact O-N 2.92Å
89I97.9Very high91.5Very high0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-93.6121.7165.2-60.4174.1000107.3F119 L122 R123 V124 K125 I256I89-F119 HydrophobicContact CD1-CB 3.84Å; I89-F119 HydrophobicContact CD1-CD2 3.75Å; I89-F119 HydrophobicContact CD1-CG 3.81Å; I89-L122 HydrophobicContact CD1-CD1 3.92Å; I89-L122 HydrophobicContact CG1-CD1 4.2Å; I89-R123 PolarHBondContact N-O 3.46Å; I89-V124 HydrophobicContact CB-CG2 4.32Å; I89-V124 CarbonylContact O-C 3.53Å; I89-V124 VanDerWaalsContact O-CA 3.31Å; I89-V124 WeakPolarHBondContact O-CA 3.37Å; I89-K125 PolarHBondContact O-N 2.92Å; I89-I256 HydrophobicContact CD1-CG2 4.25Å; I89-I256 HydrophobicContact CG2-CD1 4.15Å
90Y98Very high91.5Very high19 Ų1940.4 Ų40.48%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-101135.4175.1-74.3-92.5000110.9S88 K125 L127 P164 D166 A167 C169 I170 V171S88-Y90 VanDerWaalsContact CB-CE2 3.5Å; Y90-K125 CarbonylContact C-O 3.47Å; Y90-K125 VanDerWaalsContact CA-O 3.32Å; Y90-K125 WeakPolarHBondContact CA-O 3.31Å; Y90-K125 HydrophobicContact CD1-CB 3.66Å; Y90-K125 HydrophobicContact CD1-CD 4.31Å; Y90-K125 HydrophobicContact CE1-CB 3.58Å; Y90-K125 HydrophobicContact CE1-CD 3.43Å; Y90-K125 VanDerWaalsContact CE1-CD 3.43Å; Y90-K125 HydrophobicContact CE1-CG 4.17Å; Y90-K125 HydrophobicContact CE2-CD 4.24Å; Y90-K125 HydrophobicContact CG-CB 4.41Å; Y90-K125 VanDerWaalsContact CZ-CD 3.4Å; Y90-K125 VanDerWaalsContact OH-CD 3.28Å; Y90-K125 WeakPolarHBondContact OH-CD 3.38Å; Y90-K125 PolarHBondContact OH-NZ 3.4Å; Y90-L127 HydrophobicContact CD1-CD1 4.31Å; Y90-L127 HydrophobicContact CD1-CD2 3.64Å; Y90-L127 HydrophobicContact CD1-CG 3.87Å; Y90-L127 HydrophobicContact CE1-CD2 4.03Å; Y90-P164 HydrophobicContact CD1-CG 3.89Å; Y90-P164 HydrophobicContact CD2-CB 4.28Å; Y90-P164 HydrophobicContact CD2-CG 3.91Å; Y90-P164 HydrophobicContact CE1-CB 4.25Å; Y90-P164 HydrophobicContact CE1-CG 3.71Å; Y90-P164 HydrophobicContact CE2-CB 3.67Å; Y90-P164 HydrophobicContact CE2-CG 3.71Å; Y90-P164 HydrophobicContact CG-CG 3.96Å; Y90-D166 VanDerWaalsContact CE2-OD1 3.27Å; Y90-D166 WeakPolarHBondContact CE2-OD1 3.44Å; Y90-D166 VanDerWaalsContact CZ-OD1 3.28Å; Y90-D166 VanDerWaalsContact OH-CG 3.25Å; Y90-D166 PolarHBondContact OH-OD1 3.02Å; Y90-D166 PolarHBondContact OH-OD2 2.94Å; Y90-A167 HydrophobicContact CD2-CB 3.46Å; Y90-A167 VanDerWaalsContact CD2-CB 3.46Å; Y90-A167 HydrophobicContact CE2-CB 3.68Å; Y90-C169 PolarHBondContact N-O 3.34Å; Y90-I170 CarbonylContact O-C 3.52Å; Y90-I170 WeakPolarHBondContact O-CA 3.5Å; Y90-V171 PolarHBondContact O-N 3.34Å
91I97.3Very high91.6Very high1 Ų147.2 Ų47.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-108.8126173.4-57.8179.4000108.3C115 V124 K125 L126 L127 V171 I173 L252I91-C115 HydrophobicContact CD1-CB 4.25Å; I91-V124 HydrophobicContact CD1-CG1 3.87Å; I91-V124 HydrophobicContact CG1-CG1 4.22Å; I91-K125 PolarHBondContact N-O 3.38Å; I91-L126 HydrophobicContact CB-CD1 4.38Å; I91-L126 HydrophobicContact CG2-CD1 4.39Å; I91-L127 PolarHBondContact O-N 3.23Å; I91-V171 CarbonylContact C-O 3.59Å; I91-V171 WeakPolarHBondContact CA-O 3.09Å; I91-V171 HydrophobicContact CG1-CG2 4.05Å; I91-I173 HydrophobicContact CG2-CD1 3.65Å; I91-I173 HydrophobicContact CG2-CG1 3.89Å; I91-L252 HydrophobicContact CD1-CD2 4.49Å
92Q97.1Very high91.6Very high9 Ų948.3 Ų48.34%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-114111.8177.5177.962.778.800109.5I94 L127 E128 V130 L159 I170 V171 G172 I173Q92-I94 HydrophobicContact CG-CG1 4.14Å; Q92-L127 HydrophobicContact CB-CD1 4.36Å; Q92-E128 PolarHBondContact NE2-O 3.3Å; Q92-V130 VanDerWaalsContact NE2-CG2 3.28Å; Q92-L159 HydrophobicContact CB-CD2 3.77Å; Q92-L159 HydrophobicContact CG-CD2 3.72Å; Q92-I170 HydrophobicContact CB-CD1 4.31Å; Q92-I170 HydrophobicContact CB-CG1 4.41Å; Q92-V171 PolarHBondContact N-O 2.68Å; Q92-G172 CarbonylContact O-C 3.53Å; Q92-G172 WeakPolarHBondContact O-CA 3.36Å; Q92-I173 PolarHBondContact O-N 3.27Å
93S95.9Very high91.6Very high3 Ų349 Ų492%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-72.8132.7169.7169.50000110G95 V130S93-G95 PolarHBondContact OG-O 3.27Å; S93-G95 VanDerWaalsContact OG-O 3.06Å; S93-V130 PolarHBondContact O-N 3.48Å
94I95.4Very high91.6Very high0 Ų047.4 Ų47.40%025%0.25CC..EExtended strand (participates in β ladder)trans-121.9110175.9-56.5178.6000109.1Q92 V130 T135 I155 I173 T174 I199Q92-I94 HydrophobicContact CG-CG1 4.14Å; I94-V130 WeakPolarHBondContact CA-O 3.42Å; I94-T135 HydrophobicContact CD1-CG2 4.43Å; I94-T135 HydrophobicContact CG2-CG2 3.85Å; I94-I155 HydrophobicContact CD1-CD1 4.22Å; I94-I155 HydrophobicContact CD1-CG2 3.26Å; I94-I155 HydrophobicContact CG2-CD1 4.44Å; I94-I173 PolarHBondContact N-O 3.47Å; I94-T174 WeakPolarHBondContact O-CB 3.31Å; I94-T174 PolarHBondContact O-OG1 3.34Å; I94-I199 HydrophobicContact CD1-CD1 3.91Å
95G92.8Very high91.9Very high12 Ų1245.3 Ų45.312%0.12423%0.23CC..SBendtrans74.9178.5-166.600000112.8S93 V130 Y235S93-G95 PolarHBondContact OG-O 3.27Å; S93-G95 VanDerWaalsContact OG-O 3.06Å; G95-V130 PolarHBondContact N-O 3.35Å; G95-Y235 VanDerWaalsContact C-OH 3.23Å; G95-Y235 VanDerWaalsContact CA-OH 3.3Å; G95-Y235 WeakPolarHBondContact CA-OH 3.39Å
96S90.8Very high92.1Very high51 Ų5139.8 Ų39.836%0.35720%0.2SC..  trans-68.6143.3172.5-165.90000112G98 S104 Y235 I237S96-G98 PolarHBondContact OG-O 3.45Å; S96-S104 PolarHBondContact OG-OG 3.14Å; S96-Y235 WeakPolarHBondContact CA-OH 3.28Å; S96-Y235 PolarHBondContact N-OH 3.31Å; S96-Y235 PolarHBondContact O-OH 3.21Å; S96-I237 WeakPolarHBondContact O-CD1 3.45Å
97L89.6Confident92.3Very high1 Ų134.5 Ų34.51%0.00518%0.177CC..SBendtrans-108.7-8.8177.7-61.6-179.6000113.4Y107 I108 I173 M175 I237L97-Y107 HydrophobicContact CB-CD1 4.14Å; L97-I108 HydrophobicContact CD1-CD1 3.8Å; L97-I108 HydrophobicContact CD1-CG1 3.49Å; L97-I108 VanDerWaalsContact CD1-CG1 3.49Å; L97-I173 HydrophobicContact CD1-CD1 3.49Å; L97-I173 VanDerWaalsContact CD1-CD1 3.49Å; L97-I173 HydrophobicContact CD1-CG1 3.85Å; L97-M175 HydrophobicContact CB-CG 4.32Å; L97-M175 HydrophobicContact CD2-CB 4.47Å; L97-M175 HydrophobicContact CD2-CG 3.87Å; L97-M175 VanDerWaalsContact O-CE 3.24Å; L97-M175 WeakPolarHBondContact O-CE 3.41Å; L97-I237 WeakPolarHBondContact O-CG2 3.27Å
98G86.3Confident92.3Very high1 Ų133.7 Ų33.71%0.0117%0.171CC..SBendtrans-134.5160.1174.900000110.7S96 T100 S104 I237S96-G98 PolarHBondContact OG-O 3.45Å; G98-T100 PolarHBondContact O-N 3.03Å; G98-S104 VanDerWaalsContact CA-OG 3.31Å; G98-S104 WeakPolarHBondContact CA-OG 3.38Å; G98-S104 PolarHBondContact N-OG 2.7Å; G98-S104 PolarHBondContact O-OG 2.85Å; G98-I237 WeakPolarHBondContact O-CD1 3.3Å
99N84.1Confident92.1Very high113 Ų11339.1 Ų39.160%0.60419%0.194SC*.SBendtrans-65-20.6173.760.5-3.8000113.1I103N99-I103 WeakPolarHBondContact OD1-CD1 3.37Å
100T86.4Confident92Very high66 Ų6640 Ų4041%0.40520%0.198SC..SBendtrans-128.1162.9172.568.20000110.2G98 I103 S104G98-T100 PolarHBondContact O-N 3.03Å; T100-I103 HydrophobicContact CG2-CD1 4.47Å; T100-I103 PolarHBondContact O-N 3.29Å; T100-I103 WeakPolarHBondContact OG1-CB 3.31Å; T100-I103 WeakPolarHBondContact OG1-CG1 3.41Å; T100-I103 PolarHBondContact OG1-N 3.33Å; T100-S104 PolarHBondContact O-N 2.97Å; T100-S104 PolarHBondContact O-OG 2.82Å
101R87.1Confident91.9Very high194 Ų19439.1 Ų39.173%0.73219%0.194SC*.Hα-helixtrans-60.3-44.4174.6-177.9176.21731770.1111.9I103 S104 E105R101-I103 PolarHBondContact O-N 3.38Å; R101-S104 WeakPolarHBondContact O-CB 3.44Å; R101-S104 PolarHBondContact O-N 3.47Å; R101-E105 HydrophobicContact CG-CG 4.41Å; R101-E105 WeakPolarHBondContact CG-OE1 3.48Å; R101-E105 IonicContact CZ-OE1 2.9Å; R101-E105 IonicContact NE-OE1 2.76Å; R101-E105 PolarHBondContact NE-OE1 2.82Å; R101-E105 IonicContact NH2-OE1 2.56Å; R101-E105 PolarHBondContact NH2-OE1 3.13Å; R101-E105 WeakPolarHBondContact O-CG 3.42Å; R101-E105 PolarHBondContact O-N 3.01Å
102I88.8Confident91.9Very high96 Ų9640.3 Ų40.349%0.49220%0.201SC..Hα-helixtrans-60.8-47.2179.7-61.4169.7000110.6S104 E105 E106 L337I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.2Å; I102-E105 PolarHBondContact O-N 3.27Å; I102-E106 PolarHBondContact O-N 2.97Å; I102-L337 HydrophobicContact CG2-CD1 4.12Å
103I90.1Very high91.9Very high38 Ų3841 Ų4120%0.19521%0.211CC..Hα-helixtrans-62.4-40.4177.8-70.9168.2000111N99 T100 R101 Y107 I240 L337N99-I103 WeakPolarHBondContact OD1-CD1 3.37Å; T100-I103 HydrophobicContact CG2-CD1 4.47Å; T100-I103 PolarHBondContact O-N 3.29Å; T100-I103 WeakPolarHBondContact OG1-CB 3.31Å; T100-I103 WeakPolarHBondContact OG1-CG1 3.41Å; T100-I103 PolarHBondContact OG1-N 3.33Å; R101-I103 PolarHBondContact O-N 3.38Å; I103-Y107 WeakPolarHBondContact O-CB 3.28Å; I103-Y107 PolarHBondContact O-N 3.11Å; I103-I240 HydrophobicContact CG2-CG1 3.65Å; I103-L337 HydrophobicContact CB-CD1 4.22Å; I103-L337 HydrophobicContact CD1-CD1 4.42Å; I103-L337 HydrophobicContact CG1-CD1 3.35Å
104S91Very high92Very high12 Ų1240.9 Ų40.98%0.08421%0.21CC..Hα-helixtrans-61.7-46.3175.9-58.40000111.9S96 G98 T100 R101 I102 I108S96-S104 PolarHBondContact OG-OG 3.14Å; G98-S104 VanDerWaalsContact CA-OG 3.31Å; G98-S104 WeakPolarHBondContact CA-OG 3.38Å; G98-S104 PolarHBondContact N-OG 2.7Å; G98-S104 PolarHBondContact O-OG 2.85Å; T100-S104 PolarHBondContact O-N 2.97Å; T100-S104 PolarHBondContact O-OG 2.82Å; R101-S104 WeakPolarHBondContact O-CB 3.44Å; R101-S104 PolarHBondContact O-N 3.47Å; I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.2Å; S104-I108 WeakPolarHBondContact O-CB 3.44Å; S104-I108 WeakPolarHBondContact O-CD1 3.28Å; S104-I108 WeakPolarHBondContact O-CG1 3.43Å; S104-I108 PolarHBondContact O-N 3Å
105E91.8Very high92.1Very high75 Ų7540.9 Ų40.935%0.3521%0.21SC..Hα-helixtrans-64.6-46.6-179-73.7174.3-176.400111.5R101 I102 I108 K109R101-E105 HydrophobicContact CG-CG 4.41Å; R101-E105 WeakPolarHBondContact CG-OE1 3.48Å; R101-E105 IonicContact CZ-OE1 2.9Å; R101-E105 IonicContact NE-OE1 2.76Å; R101-E105 PolarHBondContact NE-OE1 2.82Å; R101-E105 IonicContact NH2-OE1 2.56Å; R101-E105 PolarHBondContact NH2-OE1 3.13Å; R101-E105 WeakPolarHBondContact O-CG 3.42Å; R101-E105 PolarHBondContact O-N 3.01Å; I102-E105 PolarHBondContact O-N 3.27Å; E105-I108 PolarHBondContact O-N 3.42Å; E105-K109 VanDerWaalsContact O-CG 3.25Å; E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 2.77Å
106E93.1Very high92.4Very high10 Ų1046.6 Ų46.65%0.04723%0.232CC..Hα-helixtrans-63.6-44.3176.7-72-52.6117.700112.1I102 I108 K109 W110 L337I102-E106 PolarHBondContact O-N 2.97Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 2.99Å; E106-K109 WeakPolarHBondContact O-CB 3.49Å; E106-K109 PolarHBondContact O-N 3.46Å; E106-K109 VanDerWaalsContact O-N 3.13Å; E106-K109 WeakPolarHBondContact OE1-CD 3.48Å; E106-K109 IonicContact OE1-NZ 3.16Å; E106-K109 PolarHBondContact OE1-NZ 3.45Å; E106-W110 HydrophobicContact CB-CH2 4.27Å; E106-W110 HydrophobicContact CB-CZ2 3.82Å; E106-W110 PolarHBondContact O-N 3.1Å; E106-L337 HydrophobicContact CB-CD1 4.43Å; E106-L337 HydrophobicContact CG-CB 4.37Å; E106-L337 HydrophobicContact CG-CD1 4.31Å
107Y93.9Very high92.7Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-61.2-42.7179-173.1-123.8000112.7L97 I103 W110 L111 M175 F202 I240 L245 S248L97-Y107 HydrophobicContact CB-CD1 4.14Å; I103-Y107 WeakPolarHBondContact O-CB 3.28Å; I103-Y107 PolarHBondContact O-N 3.11Å; Y107-W110 AromaticContact CD2-CE3 3.98Å; Y107-W110 HydrophobicContact CD2-CE3 3.98Å; Y107-W110 HydrophobicContact CD2-CZ3 4.37Å; Y107-W110 PolarHBondContact O-N 3.45Å; Y107-L111 HydrophobicContact CD1-CD1 4.03Å; Y107-L111 HydrophobicContact CE1-CD1 3.67Å; Y107-L111 HydrophobicContact CE1-CG 4.47Å; Y107-L111 HydrophobicContact CE2-CD1 4.48Å; Y107-L111 HydrophobicContact CE2-CG 4.45Å; Y107-L111 WeakPolarHBondContact O-CG 3.21Å; Y107-L111 PolarHBondContact O-N 3.45Å; Y107-M175 HydrophobicContact CD1-CE 4.02Å; Y107-M175 HydrophobicContact CE1-CE 3.38Å; Y107-F202 HydrophobicContact CE1-CD2 4.01Å; Y107-F202 HydrophobicContact CE1-CE2 4.24Å; Y107-I240 HydrophobicContact CD1-CD1 4.25Å; Y107-I240 HydrophobicContact CD2-CD1 4.3Å; Y107-I240 HydrophobicContact CD2-CG1 4.44Å; Y107-I240 HydrophobicContact CD2-CG2 3.42Å; Y107-I240 VanDerWaalsContact CD2-CG2 3.42Å; Y107-I240 HydrophobicContact CE1-CD1 4.36Å; Y107-I240 HydrophobicContact CE2-CD1 4.38Å; Y107-I240 HydrophobicContact CE2-CG2 3.63Å; Y107-I240 HydrophobicContact CG-CD1 4.21Å; Y107-I240 HydrophobicContact CG-CG1 4.46Å; Y107-I240 HydrophobicContact CG-CG2 4.22Å; Y107-L245 HydrophobicContact CD2-CD1 4.14Å; Y107-L245 HydrophobicContact CE2-CB 4.33Å; Y107-L245 HydrophobicContact CE2-CD1 3.67Å; Y107-S248 WeakPolarHBondContact OH-CB 3.31Å; Y107-S248 PolarHBondContact OH-OG 3.29Å
108I93.4Very high93.1Very high7 Ų744.7 Ų44.74%0.03622%0.219CC..Hα-helixtrans-64.2-41.4175.1-69.6168.2000111.2L97 S104 E105 E106 W110 L111 T112 L126L97-I108 HydrophobicContact CD1-CD1 3.8Å; L97-I108 HydrophobicContact CD1-CG1 3.49Å; L97-I108 VanDerWaalsContact CD1-CG1 3.49Å; S104-I108 WeakPolarHBondContact O-CB 3.44Å; S104-I108 WeakPolarHBondContact O-CD1 3.28Å; S104-I108 WeakPolarHBondContact O-CG1 3.43Å; S104-I108 PolarHBondContact O-N 3Å; E105-I108 PolarHBondContact O-N 3.42Å; E106-I108 VanDerWaalsContact C-N 3.34Å; E106-I108 PolarHBondContact O-N 2.99Å; I108-W110 VanDerWaalsContact C-N 3.32Å; I108-W110 PolarHBondContact O-N 3.1Å; I108-L111 PolarHBondContact O-N 2.76Å; I108-T112 VanDerWaalsContact O-CB 3.26Å; I108-T112 WeakPolarHBondContact O-CB 3.43Å; I108-T112 PolarHBondContact O-N 2.9Å; I108-T112 PolarHBondContact O-OG1 2.92Å; I108-L126 HydrophobicContact CG2-CD1 3.36Å; I108-L126 HydrophobicContact CG2-CD2 3.44Å; I108-L126 VanDerWaalsContact CG2-CD2 3.44Å; I108-L126 HydrophobicContact CG2-CG 4Å
109K93.9Very high93.7Very high114 Ų11444.6 Ų44.650%0.49622%0.218SC..Hα-helixtrans-59.7-44.4176.3-73.5170.4-167.2170.20110.8E105 E106 T112 G113E105-K109 VanDerWaalsContact O-CG 3.25Å; E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 2.77Å; E106-K109 WeakPolarHBondContact O-CB 3.49Å; E106-K109 PolarHBondContact O-N 3.46Å; E106-K109 VanDerWaalsContact O-N 3.13Å; E106-K109 WeakPolarHBondContact OE1-CD 3.48Å; E106-K109 IonicContact OE1-NZ 3.16Å; E106-K109 PolarHBondContact OE1-NZ 3.45Å; K109-T112 PolarHBondContact O-N 3.03Å; K109-G113 PolarHBondContact O-N 3.4Å
110W96.3Very high94.3Very high19 Ų1942.9 Ų42.97%0.07220%0.204CC..Hα-helixtrans-62.2-48.5177.5-56.3-25000111.9E106 Y107 I108 T112 G113 Y114 I240 L245 W314 L337 K339 P340E106-W110 HydrophobicContact CB-CH2 4.27Å; E106-W110 HydrophobicContact CB-CZ2 3.82Å; E106-W110 PolarHBondContact O-N 3.1Å; Y107-W110 AromaticContact CD2-CE3 3.98Å; Y107-W110 HydrophobicContact CD2-CE3 3.98Å; Y107-W110 HydrophobicContact CD2-CZ3 4.37Å; Y107-W110 PolarHBondContact O-N 3.45Å; I108-W110 VanDerWaalsContact C-N 3.32Å; I108-W110 PolarHBondContact O-N 3.1Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.41Å; W110-G113 PolarHBondContact O-N 3.15Å; W110-Y114 WeakPolarHBondContact O-CB 3.3Å; W110-Y114 PolarHBondContact O-N 3.4Å; W110-I240 HydrophobicContact CZ3-CG2 3.94Å; W110-L245 HydrophobicContact CB-CD1 4.14Å; W110-L245 HydrophobicContact CB-CD2 4.44Å; W110-L245 HydrophobicContact CE3-CD2 4.1Å; W110-W314 HydrophobicContact CB-CZ2 4.27Å; W110-W314 WeakPolarHBondContact O-CZ2 3.16Å; W110-W314 PolarHBondContact O-NE1 3.05Å; W110-L337 HydrophobicContact CH2-CB 4.26Å; W110-L337 HydrophobicContact CZ2-CB 4.2Å; W110-L337 WeakPolarHBondContact CZ2-O 3.26Å; W110-K339 HydrophobicContact CB-CD 4.33Å; W110-K339 HydrophobicContact CB-CG 4.39Å; W110-K339 HydrophobicContact CD2-CB 4.22Å; W110-K339 HydrophobicContact CD2-CD 4.49Å; W110-K339 HydrophobicContact CD2-CG 3.74Å; W110-K339 HydrophobicContact CE3-CG 4.37Å; W110-K339 HydrophobicContact CG-CB 4.44Å; W110-K339 HydrophobicContact CG-CD 3.93Å; W110-K339 HydrophobicContact CG-CG 3.7Å; W110-K339 HydrophobicContact CZ2-CB 4.15Å; W110-P340 HydrophobicContact CZ3-CG 4.05Å
111L96Very high94.7Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-60.8-40.8176.7-70.4174.3000112.4Y107 I108 Y114 C115 I173 F202 L245 L252Y107-L111 HydrophobicContact CD1-CD1 4.03Å; Y107-L111 HydrophobicContact CE1-CD1 3.67Å; Y107-L111 HydrophobicContact CE1-CG 4.47Å; Y107-L111 HydrophobicContact CE2-CD1 4.48Å; Y107-L111 HydrophobicContact CE2-CG 4.45Å; Y107-L111 WeakPolarHBondContact O-CG 3.21Å; Y107-L111 PolarHBondContact O-N 3.45Å; I108-L111 PolarHBondContact O-N 2.76Å; L111-Y114 PolarHBondContact O-N 3.48Å; L111-C115 VanDerWaalsContact O-CB 3.26Å; L111-C115 WeakPolarHBondContact O-CB 3.5Å; L111-C115 PolarHBondContact O-N 3.48Å; L111-I173 HydrophobicContact CD1-CD1 3.87Å; L111-F202 HydrophobicContact CD1-CE2 3.67Å; L111-F202 HydrophobicContact CD1-CZ 4.13Å; L111-L245 HydrophobicContact CD2-CD1 4.06Å; L111-L245 HydrophobicContact CG-CD1 4.46Å; L111-L252 HydrophobicContact CB-CD2 4.41Å
112T96.3Very high95.2Very high25 Ų2534.1 Ų34.115%0.15318%0.183CC..Hα-helixtrans-66.3-45.3178.5-58.90000111.1I108 K109 W110 Y114 C115 K116 V124I108-T112 VanDerWaalsContact O-CB 3.26Å; I108-T112 WeakPolarHBondContact O-CB 3.43Å; I108-T112 PolarHBondContact O-N 2.9Å; I108-T112 PolarHBondContact O-OG1 2.92Å; K109-T112 PolarHBondContact O-N 3.03Å; W110-T112 VanDerWaalsContact C-N 3.33Å; W110-T112 PolarHBondContact O-N 3.41Å; T112-Y114 VanDerWaalsContact C-N 3.33Å; T112-Y114 PolarHBondContact O-N 2.95Å; T112-C115 PolarHBondContact O-N 3.39Å; T112-K116 WeakPolarHBondContact O-CB 3.31Å; T112-K116 PolarHBondContact O-N 3.46Å; T112-V124 HydrophobicContact CG2-CB 4.43Å; T112-V124 HydrophobicContact CG2-CG1 3.87Å
113G97.4Very high95.5Very high25 Ų2535.1 Ų35.126%0.25818%0.181SC..Hα-helixtrans-60.5-43175.200000111.9K109 W110 K116 A117K109-G113 PolarHBondContact O-N 3.4Å; W110-G113 PolarHBondContact O-N 3.15Å; G113-K116 PolarHBondContact O-N 2.56Å; G113-A117 WeakPolarHBondContact O-CB 3.34Å; G113-A117 PolarHBondContact O-N 3.23Å
114Y98.1Very high95.9Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-62.6-49.5177.2-175.8-100.6000111W110 L111 T112 K116 A117 Y118 C249 T253 L311 W314 F344 W347W110-Y114 WeakPolarHBondContact O-CB 3.3Å; W110-Y114 PolarHBondContact O-N 3.4Å; L111-Y114 PolarHBondContact O-N 3.48Å; T112-Y114 VanDerWaalsContact C-N 3.33Å; T112-Y114 PolarHBondContact O-N 2.95Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 2.79Å; Y114-A117 PolarHBondContact O-N 3.11Å; Y114-Y118 AromaticContact CE1-CD2 3.92Å; Y114-Y118 HydrophobicContact CE1-CD2 3.92Å; Y114-Y118 HydrophobicContact CE1-CG 4.4Å; Y114-Y118 AromaticContact CZ-CD2 3.84Å; Y114-Y118 VanDerWaalsContact O-CB 3.3Å; Y114-Y118 WeakPolarHBondContact O-CB 3.35Å; Y114-Y118 PolarHBondContact O-N 3.35Å; Y114-C249 HydrophobicContact CD1-CB 3.53Å; Y114-C249 VanDerWaalsContact CD1-SG 3.55Å; Y114-C249 HydrophobicContact CD2-CB 4.23Å; Y114-C249 HydrophobicContact CE1-CB 3.44Å; Y114-C249 VanDerWaalsContact CE1-CB 3.44Å; Y114-C249 HydrophobicContact CE2-CB 4.13Å; Y114-C249 HydrophobicContact CG-CB 3.94Å; Y114-T253 HydrophobicContact CD1-CG2 3.96Å; Y114-T253 HydrophobicContact CE1-CG2 3.48Å; Y114-T253 VanDerWaalsContact CE1-CG2 3.48Å; Y114-L311 HydrophobicContact CE2-CD2 4.29Å; Y114-W314 AromaticContact CD2-CD2 3.87Å; Y114-W314 HydrophobicContact CD2-CD2 3.87Å; Y114-W314 AromaticContact CD2-CE3 3.6Å; Y114-W314 HydrophobicContact CD2-CE3 3.6Å; Y114-W314 AromaticContact CD2-CH2 3.75Å; Y114-W314 HydrophobicContact CD2-CH2 3.75Å; Y114-W314 HydrophobicContact CD2-CZ2 4.02Å; Y114-W314 AromaticContact CD2-CZ3 3.55Å; Y114-W314 HydrophobicContact CD2-CZ3 3.55Å; Y114-W314 HydrophobicContact CE2-CE3 4.3Å; Y114-W314 HydrophobicContact CE2-CZ3 4.12Å; Y114-W314 HydrophobicContact CG-CH2 4.36Å; Y114-W314 HydrophobicContact CG-CZ2 4.28Å; Y114-W314 VanDerWaalsContact N-CD1 3.31Å; Y114-F344 HydrophobicContact CE2-CE1 4.16Å; Y114-W347 HydrophobicContact CD2-CH2 4.47Å; Y114-W347 AromaticContact CE2-CH2 3.3Å; Y114-W347 HydrophobicContact CE2-CH2 3.3Å; Y114-W347 HydrophobicContact CE2-CZ2 4.42Å; Y114-W347 AromaticContact CE2-CZ3 3.5Å; Y114-W347 HydrophobicContact CE2-CZ3 3.5Å; Y114-W347 AromaticContact CZ-CH2 3.6Å; Y114-W347 WeakPolarHBondContact OH-CH2 3.4Å; Y114-W347 WeakPolarHBondContact OH-CZ2 3.42Å
115C97.8Very high96.1Very high0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-57-43.9178.5-172.10000111I91 L111 T112 Y118 F119 V124 L252I91-C115 HydrophobicContact CD1-CB 4.25Å; L111-C115 VanDerWaalsContact O-CB 3.26Å; L111-C115 WeakPolarHBondContact O-CB 3.5Å; L111-C115 PolarHBondContact O-N 3.48Å; T112-C115 PolarHBondContact O-N 3.39Å; C115-Y118 PolarHBondContact O-N 3.34Å; C115-F119 WeakPolarHBondContact O-CD2 3.38Å; C115-F119 PolarHBondContact O-N 3.35Å; C115-V124 HydrophobicContact CB-CG1 4.21Å; C115-V124 HydrophobicContact CB-CG2 4.45Å; C115-L252 HydrophobicContact CB-CD2 4.01Å
116K97.9Very high96.3Very high131 Ų13137.6 Ų37.657%0.5719%0.193SC*.Hα-helixtrans-63.6-42.8177.2-175.2180178.3-177.80112.5T112 G113 Y114 Y120 V124T112-K116 WeakPolarHBondContact O-CB 3.31Å; T112-K116 PolarHBondContact O-N 3.46Å; G113-K116 PolarHBondContact O-N 2.56Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 2.79Å; K116-Y120 PolarHBondContact O-N 2.87Å; K116-V124 HydrophobicContact CB-CB 4.17Å; K116-V124 HydrophobicContact CB-CG2 3.84Å; K116-V124 HydrophobicContact CG-CG2 4.42Å
117A98.1Very high96.5Very high9 Ų939 Ų397%0.07420%0.2CC..Hα-helixtrans-69.7-37177.200000112G113 Y114 A310 L311 W314G113-A117 WeakPolarHBondContact O-CB 3.34Å; G113-A117 PolarHBondContact O-N 3.23Å; Y114-A117 PolarHBondContact O-N 3.11Å; A117-A310 HydrophobicContact CB-CB 4.06Å; A117-L311 HydrophobicContact CB-CD2 3.78Å; A117-L311 HydrophobicContact CB-CG 4.39Å; A117-W314 HydrophobicContact CB-CB 4.11Å
118Y98.4Very high96.5Very high3 Ų346.8 Ų46.81%0.01224%0.237CC..Hα-helixtrans-73.1-41.3-179.2-162.2-81.7000113Y114 C115 Y120 T253 L271 L286 L288 L296 R307 L311Y114-Y118 AromaticContact CE1-CD2 3.92Å; Y114-Y118 HydrophobicContact CE1-CD2 3.92Å; Y114-Y118 HydrophobicContact CE1-CG 4.4Å; Y114-Y118 AromaticContact CZ-CD2 3.84Å; Y114-Y118 VanDerWaalsContact O-CB 3.3Å; Y114-Y118 WeakPolarHBondContact O-CB 3.35Å; Y114-Y118 PolarHBondContact O-N 3.35Å; C115-Y118 PolarHBondContact O-N 3.34Å; Y118-Y120 VanDerWaalsContact C-N 3.3Å; Y118-Y120 PolarHBondContact O-N 3.05Å; Y118-T253 HydrophobicContact CD1-CG2 3.56Å; Y118-T253 HydrophobicContact CD2-CG2 3.8Å; Y118-T253 HydrophobicContact CE1-CG2 4.04Å; Y118-T253 HydrophobicContact CE2-CG2 4.23Å; Y118-T253 HydrophobicContact CG-CG2 3.44Å; Y118-T253 VanDerWaalsContact CG-CG2 3.44Å; Y118-L271 HydrophobicContact CE1-CD2 4.32Å; Y118-L271 HydrophobicContact CE2-CD2 4.27Å; Y118-L271 WeakPolarHBondContact OH-CD2 3.34Å; Y118-L286 PolarHBondContact OH-O 2.99Å; Y118-L288 VanDerWaalsContact OH-CG 3.31Å; Y118-L288 WeakPolarHBondContact OH-CG 3.4Å; Y118-L296 HydrophobicContact CE1-CD2 4.27Å; Y118-R307 VanDerWaalsContact CD2-NH2 3.31Å; Y118-R307 VanDerWaalsContact CE2-NH2 3.25Å; Y118-R307 VanDerWaalsContact CG-NH2 3.29Å; Y118-R307 PolarHBondContact O-NE 3.37Å; Y118-R307 PolarHBondContact O-NH2 3.14Å; Y118-R307 VanDerWaalsContact O-NH2 3.16Å; Y118-L311 HydrophobicContact CD2-CD2 4.24Å
119F97.6Very high96.5Very high0 Ų050.1 Ų50.10%026%0.259CS..THydrogen-bonded Turntrans-99.749.4174.7-60.1-72.2000110.5I89 C115 G121 L122 T253 I256 F260 L296I89-F119 HydrophobicContact CD1-CB 3.84Å; I89-F119 HydrophobicContact CD1-CD2 3.75Å; I89-F119 HydrophobicContact CD1-CG 3.81Å; C115-F119 WeakPolarHBondContact O-CD2 3.38Å; C115-F119 PolarHBondContact O-N 3.35Å; F119-G121 PolarHBondContact O-N 3.06Å; F119-L122 HydrophobicContact CB-CD1 4.28Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 PolarHBondContact O-N 3.1Å; F119-T253 HydrophobicContact CE2-CG2 3.81Å; F119-T253 HydrophobicContact CZ-CG2 4.18Å; F119-I256 HydrophobicContact CD1-CG2 4.36Å; F119-I256 HydrophobicContact CD2-CD1 4.42Å; F119-I256 HydrophobicContact CD2-CG2 4.19Å; F119-I256 HydrophobicContact CE1-CB 4.4Å; F119-I256 HydrophobicContact CE1-CG2 3.72Å; F119-I256 HydrophobicContact CE2-CB 3.76Å; F119-I256 HydrophobicContact CE2-CD1 3.72Å; F119-I256 HydrophobicContact CE2-CG1 4.36Å; F119-I256 HydrophobicContact CE2-CG2 3.52Å; F119-I256 HydrophobicContact CZ-CB 3.53Å; F119-I256 HydrophobicContact CZ-CD1 4.4Å; F119-I256 HydrophobicContact CZ-CG2 3.26Å; F119-F260 AromaticContact CD1-CE2 3.64Å; F119-F260 HydrophobicContact CD1-CE2 3.64Å; F119-F260 HydrophobicContact CD1-CZ 4.07Å; F119-F260 HydrophobicContact CE1-CD2 4.21Å; F119-F260 AromaticContact CE1-CE2 3.58Å; F119-F260 HydrophobicContact CE1-CE2 3.58Å; F119-F260 HydrophobicContact CE1-CZ 4.45Å; F119-F260 HydrophobicContact CZ-CE2 4.49Å; F119-L296 HydrophobicContact CD1-CD1 4.17Å; F119-L296 HydrophobicContact CD1-CD2 4.17Å; F119-L296 HydrophobicContact CE1-CD1 4.07Å; F119-L296 HydrophobicContact CE1-CD2 4.11Å
120Y97.4Very high96.6Very high76 Ų7645.8 Ų45.830%0.29824%0.242SC..THydrogen-bonded Turntrans-49.2134.8-177.8-169.9-94.1000111.4K116 Y118 V300 F302 E306 R307 A310K116-Y120 PolarHBondContact O-N 2.87Å; Y118-Y120 VanDerWaalsContact C-N 3.3Å; Y118-Y120 PolarHBondContact O-N 3.05Å; Y120-V300 VanDerWaalsContact O-CG1 3.27Å; Y120-V300 WeakPolarHBondContact O-CG1 3.31Å; Y120-F302 HydrophobicContact CD1-CB 4.04Å; Y120-F302 WeakPolarHBondContact O-CB 3.22Å; Y120-E306 HydrophobicContact CD1-CB 4.45Å; Y120-E306 HydrophobicContact CE1-CB 3.81Å; Y120-R307 HydrophobicContact CG-CB 4.3Å; Y120-A310 HydrophobicContact CD2-CB 3.72Å; Y120-A310 HydrophobicContact CE2-CB 3.99Å
121G94.7Very high96.5Very high62 Ų6248.5 Ų48.564%0.63926%0.262SS*.THydrogen-bonded Turntrans95.7-17.1-173.500000114.4F119F119-G121 PolarHBondContact O-N 3.06Å
122L96.4Very high96.4Very high14 Ų1448.7 Ų48.77%0.07326%0.263CS..SBendtrans-95.8154.9173.4-58.8-173.4000112.6P82 C87 I89 F119 F260 V300P82-L122 HydrophobicContact CB-CD2 3.82Å; P82-L122 HydrophobicContact CG-CD1 3.97Å; P82-L122 HydrophobicContact CG-CD2 3.82Å; C87-L122 HydrophobicContact CB-CD2 4.17Å; I89-L122 HydrophobicContact CD1-CD1 3.92Å; I89-L122 HydrophobicContact CG1-CD1 4.2Å; F119-L122 HydrophobicContact CB-CD1 4.28Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 PolarHBondContact O-N 3.1Å; L122-F260 HydrophobicContact CD1-CE1 4.34Å; L122-F260 HydrophobicContact CD1-CZ 3.71Å; L122-V300 HydrophobicContact CD1-CG2 4.37Å; L122-V300 HydrophobicContact CD2-CG1 4.14Å; L122-V300 HydrophobicContact CG-CG1 3.94Å
123R96.5Very high96.3Very high118 Ų11850.2 Ų50.245%0.44528%0.275SS..EExtended strand (participates in β ladder)trans-82135.1170.3-64-178.3-67.2-155.5-1.4108.4C87 S88 I89 D166C87-R123 PolarHBondContact O-N 3.16Å; C87-R123 VanDerWaalsContact O-N 3.1Å; C87-R123 VanDerWaalsContact SG-CZ 3.54Å; C87-R123 PolarHBondContact SG-NH2 3Å; S88-R123 CarbonylContact C-O 3.57Å; S88-R123 WeakPolarHBondContact CA-O 3.25Å; S88-R123 PolarHBondContact OG-NE 2.71Å; I89-R123 PolarHBondContact N-O 3.46Å; R123-D166 IonicContact NH2-OD2 3.63Å
124V97.4Very high96.2Very high22 Ų2251.4 Ų51.413%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-117.7125.5170.9-171.70000108.2I89 I91 T112 C115 K116I89-V124 HydrophobicContact CB-CG2 4.32Å; I89-V124 CarbonylContact O-C 3.53Å; I89-V124 VanDerWaalsContact O-CA 3.31Å; I89-V124 WeakPolarHBondContact O-CA 3.37Å; I91-V124 HydrophobicContact CD1-CG1 3.87Å; I91-V124 HydrophobicContact CG1-CG1 4.22Å; T112-V124 HydrophobicContact CG2-CB 4.43Å; T112-V124 HydrophobicContact CG2-CG1 3.87Å; C115-V124 HydrophobicContact CB-CG1 4.21Å; C115-V124 HydrophobicContact CB-CG2 4.45Å; K116-V124 HydrophobicContact CB-CB 4.17Å; K116-V124 HydrophobicContact CB-CG2 3.84Å; K116-V124 HydrophobicContact CG-CG2 4.42Å
125K96.7Very high96.1Very high73 Ų7352 Ų5232%0.31729%0.286SS..EExtended strand (participates in β ladder)trans-126135.3-175-67.4172.6175.1177.90109.7I89 Y90 I91 D166I89-K125 PolarHBondContact O-N 2.92Å; Y90-K125 CarbonylContact C-O 3.47Å; Y90-K125 VanDerWaalsContact CA-O 3.32Å; Y90-K125 WeakPolarHBondContact CA-O 3.31Å; Y90-K125 HydrophobicContact CD1-CB 3.66Å; Y90-K125 HydrophobicContact CD1-CD 4.31Å; Y90-K125 HydrophobicContact CE1-CB 3.58Å; Y90-K125 HydrophobicContact CE1-CD 3.43Å; Y90-K125 VanDerWaalsContact CE1-CD 3.43Å; Y90-K125 HydrophobicContact CE1-CG 4.17Å; Y90-K125 HydrophobicContact CE2-CD 4.24Å; Y90-K125 HydrophobicContact CG-CB 4.41Å; Y90-K125 VanDerWaalsContact CZ-CD 3.4Å; Y90-K125 VanDerWaalsContact OH-CD 3.28Å; Y90-K125 WeakPolarHBondContact OH-CD 3.38Å; Y90-K125 PolarHBondContact OH-NZ 3.4Å; I91-K125 PolarHBondContact N-O 3.38Å; K125-D166 IonicContact NZ-OD2 3.67Å; K125-D166 PolarHBondContact NZ-OD2 3.34Å
126L95.8Very high95.9Very high82 Ų8261.9 Ų61.943%0.42932%0.323SS..EExtended strand (participates in β ladder)trans-89.5135.5172.6-179.163000109.4I91 I108I91-L126 HydrophobicContact CB-CD1 4.38Å; I91-L126 HydrophobicContact CG2-CD1 4.39Å; I108-L126 HydrophobicContact CG2-CD1 3.36Å; I108-L126 HydrophobicContact CG2-CD2 3.44Å; I108-L126 VanDerWaalsContact CG2-CD2 3.44Å; I108-L126 HydrophobicContact CG2-CG 4Å
127L95.8Very high95.7Very high39 Ų3955.7 Ų55.720%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-95155.1167.7-63.7176.3000110.3Y90 I91 Q92 I170Y90-L127 HydrophobicContact CD1-CD1 4.31Å; Y90-L127 HydrophobicContact CD1-CD2 3.64Å; Y90-L127 HydrophobicContact CD1-CG 3.87Å; Y90-L127 HydrophobicContact CE1-CD2 4.03Å; I91-L127 PolarHBondContact O-N 3.23Å; Q92-L127 HydrophobicContact CB-CD1 4.36Å; L127-I170 HydrophobicContact CD1-CD1 3.56Å; L127-I170 HydrophobicContact CD1-CG1 4.32Å
128E94.3Very high95.5Very high163 Ų16358 Ų5876%0.76231%0.312SS*.EExtended strand (participates in β ladder)trans-52.7132.6174.8-70.1-56138.300111.2Q92 V130Q92-E128 PolarHBondContact NE2-O 3.3Å; E128-V130 PolarHBondContact O-N 2.8Å
129P94.3Very high95.3Very high77 Ų7760 Ų6050%0.532%0.321SS..EExtended strand (participates in β ladder)trans-55137.7177.6-25.834.4000112.2
130V95Very high94.9Very high24 Ų2462.5 Ų62.515%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-113.4128.9-177.3170.50000109.4Q92 S93 I94 G95 E128 A134 T135 F158Q92-V130 VanDerWaalsContact NE2-CG2 3.28Å; S93-V130 PolarHBondContact O-N 3.48Å; I94-V130 WeakPolarHBondContact CA-O 3.42Å; G95-V130 PolarHBondContact N-O 3.35Å; E128-V130 PolarHBondContact O-N 2.8Å; V130-A134 HydrophobicContact CG1-CB 3.66Å; V130-T135 HydrophobicContact CG1-CG2 4.14Å; V130-F158 HydrophobicContact CG1-CE1 4.24Å; V130-F158 HydrophobicContact CG1-CZ 3.84Å; V130-F158 HydrophobicContact CG2-CZ 4.3Å
131P94.8Very high94.5Very high75 Ų7560.4 Ų60.449%0.48733%0.325SS..  trans-68.2150.8172.929.6-34.8000110.6S133 A134P131-S133 PolarHBondContact O-N 3.44Å; P131-S133 VanDerWaalsContact O-N 3.14Å; P131-A134 HydrophobicContact CG-CB 3.97Å; P131-A134 WeakPolarHBondContact O-CB 3.42Å; P131-A134 PolarHBondContact O-N 2.95Å
132V94.8Very high94.1Very high5 Ų557.7 Ų57.73%0.0330%0.296CS..Hα-helixtrans-54.3-39.3-178-174.20000111.8A134 T135 I150 I176 Y229 F232V132-A134 VanDerWaalsContact C-N 3.27Å; V132-A134 PolarHBondContact O-N 3.05Å; V132-T135 WeakPolarHBondContact O-CB 3.3Å; V132-T135 PolarHBondContact O-N 3.34Å; V132-T135 PolarHBondContact O-OG1 2.95Å; V132-I150 HydrophobicContact CG1-CG2 3.95Å; V132-I176 HydrophobicContact CG2-CD1 3.39Å; V132-Y229 HydrophobicContact CB-CD1 4.35Å; V132-Y229 HydrophobicContact CG1-CD1 3.97Å; V132-Y229 HydrophobicContact CG1-CE1 4.1Å; V132-F232 HydrophobicContact CB-CB 4.31Å; V132-F232 HydrophobicContact CB-CD1 4.45Å; V132-F232 HydrophobicContact CB-CD2 4.01Å; V132-F232 HydrophobicContact CB-CE2 4.46Å; V132-F232 HydrophobicContact CB-CG 4Å; V132-F232 HydrophobicContact CG1-CD1 4.35Å; V132-F232 HydrophobicContact CG1-CD2 3.84Å; V132-F232 HydrophobicContact CG1-CE1 4.3Å; V132-F232 HydrophobicContact CG1-CE2 3.79Å; V132-F232 HydrophobicContact CG1-CG 4.13Å; V132-F232 HydrophobicContact CG1-CZ 4.02Å; V132-F232 HydrophobicContact CG2-CB 4.12Å; V132-F232 HydrophobicContact CG2-CD1 4.04Å; V132-F232 HydrophobicContact CG2-CD2 4.45Å; V132-F232 HydrophobicContact CG2-CG 3.95Å
133S94.3Very high93.4Very high57 Ų5765.1 Ų65.140%0.39933%0.33SS..Hα-helixtrans-56.8-34.8178.4570000114.3P131 T135 R136 Y229P131-S133 PolarHBondContact O-N 3.44Å; P131-S133 VanDerWaalsContact O-N 3.14Å; S133-T135 PolarHBondContact O-N 3.27Å; S133-R136 PolarHBondContact O-N 3.38Å; S133-Y229 VanDerWaalsContact CA-CD1 3.48Å
134A94.9Very high92.7Very high50 Ų5065.3 Ų65.341%0.41334%0.341SS..Hα-helixtrans-71.2-20.6-179.800000112.6V130 P131 V132 R136V130-A134 HydrophobicContact CG1-CB 3.66Å; P131-A134 HydrophobicContact CG-CB 3.97Å; P131-A134 WeakPolarHBondContact O-CB 3.42Å; P131-A134 PolarHBondContact O-N 2.95Å; V132-A134 VanDerWaalsContact C-N 3.27Å; V132-A134 PolarHBondContact O-N 3.05Å; A134-R136 VanDerWaalsContact C-N 3.33Å
135T94.5Very high92Very high11 Ų1165.5 Ų65.57%0.06734%0.342CS..Hα-helixtrans-77.4-23.6175.376.10000112.3I94 V130 V132 S133 C137 I155 F158I94-T135 HydrophobicContact CD1-CG2 4.43Å; I94-T135 HydrophobicContact CG2-CG2 3.85Å; V130-T135 HydrophobicContact CG1-CG2 4.14Å; V132-T135 WeakPolarHBondContact O-CB 3.3Å; V132-T135 PolarHBondContact O-N 3.34Å; V132-T135 PolarHBondContact O-OG1 2.95Å; S133-T135 PolarHBondContact O-N 3.27Å; T135-C137 PolarHBondContact O-N 3.16Å; T135-C137 WeakPolarHBondContact OG1-CB 3.31Å; T135-C137 PolarHBondContact OG1-N 2.8Å; T135-C137 PolarHBondContact OG1-SG 3.45Å; T135-I155 HydrophobicContact CG2-CD1 3.76Å; T135-I155 WeakPolarHBondContact OG1-CD1 3.42Å; T135-F158 HydrophobicContact CG2-CD1 4.19Å; T135-F158 HydrophobicContact CG2-CE1 4.3Å; T135-F158 HydrophobicContact CG2-CG 4.38Å
136R94.4Very high91.5Very high209 Ų20966.1 Ų66.179%0.78935%0.346SS*.THydrogen-bonded Turntrans53.629.6-172.8-55.7-178.2178.7179.6-1.2113.2S133 A134 Y229S133-R136 PolarHBondContact O-N 3.38Å; A134-R136 VanDerWaalsContact C-N 3.33Å; R136-Y229 VanDerWaalsContact CA-OH 3.23Å; R136-Y229 WeakPolarHBondContact CA-OH 3.46Å
137C94.1Very high91.1Very high0 Ų062.5 Ų62.50%033%0.327CS..  trans-72144.7179.965.80000112.2T135 D154 I155 Y229T135-C137 PolarHBondContact O-N 3.16Å; T135-C137 WeakPolarHBondContact OG1-CB 3.31Å; T135-C137 PolarHBondContact OG1-N 2.8Å; T135-C137 PolarHBondContact OG1-SG 3.45Å; C137-D154 HydrophobicContact CB-CB 3.78Å; C137-I155 HydrophobicContact CB-CD1 3.61Å; C137-I155 HydrophobicContact CB-CG1 4.13Å; C137-Y229 PolarHBondContact N-OH 3.2Å; C137-Y229 PolarHBondContact O-OH 3.34Å
138S93.8Very high90.8Very high59 Ų5961.5 Ų61.541%0.41332%0.322SS..  trans-59.7145.8165.7-48.70000110.1H151 D154S138-H151 VanDerWaalsContact O-CB 3.32Å; S138-H151 WeakPolarHBondContact O-CB 3.37Å; S138-H151 PolarHBondContact O-N 3.28Å; S138-D154 WeakPolarHBondContact CB-OD2 3.4Å; S138-D154 PolarHBondContact N-OD2 3.35Å; S138-D154 PolarHBondContact OG-OD2 2.62Å
139F93.1Very high90.7Very high43 Ų4353.8 Ų53.819%0.18929%0.285CS..EExtended strand (participates in β ladder)trans-142.8158.4176.464.9-91.4000111Q149 I150 D228 Y229 I231 F232F139-Q149 CarbonylContact C-O 3.55Å; F139-Q149 WeakPolarHBondContact CA-O 3.15Å; F139-Q149 VanDerWaalsContact CB-O 3.26Å; F139-Q149 WeakPolarHBondContact CB-O 3.44Å; F139-I150 HydrophobicContact CB-CG2 4.05Å; F139-D228 WeakPolarHBondContact CZ-O 3.46Å; F139-Y229 HydrophobicContact CD1-CD1 4.33Å; F139-Y229 AromaticContact CD1-CE1 3.91Å; F139-Y229 HydrophobicContact CD1-CE1 3.91Å; F139-Y229 HydrophobicContact CE1-CD1 4.14Å; F139-Y229 AromaticContact CE1-CE1 3.97Å; F139-Y229 HydrophobicContact CE1-CE1 3.97Å; F139-Y229 HydrophobicContact CE1-CE2 4.39Å; F139-Y229 HydrophobicContact CE1-CG 4.45Å; F139-I231 HydrophobicContact CD2-CG2 4.44Å; F139-I231 HydrophobicContact CE2-CG2 3.88Å; F139-I231 HydrophobicContact CZ-CG2 4.26Å; F139-F232 HydrophobicContact CB-CE2 4.22Å; F139-F232 HydrophobicContact CB-CZ 3.76Å; F139-F232 AromaticContact CD1-CE2 3.8Å; F139-F232 HydrophobicContact CD1-CE2 3.8Å; F139-F232 HydrophobicContact CD1-CZ 4.22Å; F139-F232 HydrophobicContact CD2-CE2 4.05Å; F139-F232 HydrophobicContact CD2-CZ 4.01Å; F139-F232 HydrophobicContact CE1-CE2 4.13Å; F139-F232 HydrophobicContact CE2-CE2 4.37Å; F139-F232 AromaticContact CG-CE2 3.76Å; F139-F232 HydrophobicContact CG-CE2 3.76Å; F139-F232 AromaticContact CG-CZ 3.74Å; F139-F232 HydrophobicContact CG-CZ 3.74Å; F139-F232 HydrophobicContact CZ-CE2 4.41Å
140R90.3Very high90.8Very high53 Ų5350.1 Ų50.120%0.226%0.262CS..EExtended strand (participates in β ladder)trans-146.2168.1179.168.9-178.1-171.5-174.61.8111.2Q149 Y179 D182 W184 N185R140-Q149 HydrophobicContact CG-CB 4.11Å; R140-Q149 VanDerWaalsContact CZ-OE1 3.28Å; R140-Q149 PolarHBondContact N-O 3.1Å; R140-Q149 PolarHBondContact O-N 2.94Å; R140-Y179 HydrophobicContact CG-CD1 4.17Å; R140-Y179 HydrophobicContact CG-CE1 3.89Å; R140-Y179 VanDerWaalsContact CZ-CD2 3.44Å; R140-D182 PolarHBondContact NH1-O 2.74Å; R140-W184 PolarHBondContact NH2-O 3.09Å; R140-N185 PolarHBondContact NH2-O 2.75Å
141V88.3Confident90.8Very high32 Ų3250.4 Ų50.419%0.19426%0.261CS..EExtended strand (participates in β ladder)trans-99.6126161.5175.30000107.9E143 N147 L148 V218 L221V141-E143 PolarHBondContact O-N 3.17Å; V141-N147 WeakPolarHBondContact CA-O 3.38Å; V141-L148 HydrophobicContact CG2-CD2 3.85Å; V141-V218 HydrophobicContact CG1-CB 4.41Å; V141-V218 HydrophobicContact CG2-CB 4.22Å; V141-V218 HydrophobicContact CG2-CG1 4.39Å; V141-V218 HydrophobicContact CG2-CG2 3.98Å; V141-L221 HydrophobicContact CB-CD1 4.1Å; V141-L221 HydrophobicContact CG2-CD1 3.31Å
142N85.9Confident90.8Very high6 Ų646.9 Ų46.93%0.03224%0.238CC..  trans-67.7128.6178.3-172.5-85.9000110.3N144 T145 Q146 N147 Q149 N185N142-N144 VanDerWaalsContact C-N 3.28Å; N142-N144 PolarHBondContact O-N 3.38Å; N142-N144 WeakPolarHBondContact OD1-CA 3.27Å; N142-N144 WeakPolarHBondContact OD1-CB 3.28Å; N142-N144 PolarHBondContact OD1-N 3.14Å; N142-T145 WeakPolarHBondContact CB-OG1 3.39Å; N142-T145 PolarHBondContact OD1-N 3.07Å; N142-T145 PolarHBondContact OD1-OG1 3.09Å; N142-Q146 WeakPolarHBondContact O-CA 3.36Å; N142-Q146 PolarHBondContact O-N 2.8Å; N142-N147 PolarHBondContact N-O 2.76Å; N142-Q149 HydrophobicContact CB-CG 4.07Å; N142-Q149 PolarHBondContact ND2-OE1 2.9Å; N142-N185 PolarHBondContact ND2-O 3.26Å
143E82.9Confident90.7Very high169 Ų16947.2 Ų47.279%0.7924%0.243SC*.THydrogen-bonded Turntrans-65.9-31.3-176.7-63.2-178.3169.600113V141 Q146V141-E143 PolarHBondContact O-N 3.17Å; E143-Q146 PolarHBondContact O-NE2 3.09Å
144N82.2Confident90.8Very high123 Ų12345.9 Ų45.966%0.65823%0.232SC*.THydrogen-bonded Turntrans-81.8-47.2-177.9-60.8-46.1000112N142N142-N144 VanDerWaalsContact C-N 3.28Å; N142-N144 PolarHBondContact O-N 3.38Å; N142-N144 WeakPolarHBondContact OD1-CA 3.27Å; N142-N144 WeakPolarHBondContact OD1-CB 3.28Å; N142-N144 PolarHBondContact OD1-N 3.14Å
145T82.6Confident90.8Very high26 Ų2643.5 Ų43.516%0.1621%0.212CC..THydrogen-bonded Turntrans-92.3-19.7-175.864.50000113.6N142 N147 F209N142-T145 WeakPolarHBondContact CB-OG1 3.39Å; N142-T145 PolarHBondContact OD1-N 3.07Å; N142-T145 PolarHBondContact OD1-OG1 3.09Å; T145-N147 PolarHBondContact O-N 2.84Å; T145-N147 PolarHBondContact O-OD1 3.37Å; T145-N147 WeakPolarHBondContact OG1-CB 3.3Å; T145-N147 PolarHBondContact OG1-N 3.28Å; T145-F209 HydrophobicContact CG2-CE1 4.37Å
146Q86.1Confident90.9Very high86 Ų8643.7 Ų43.740%0.40221%0.212SC..  trans61.120.6-169.4-57.2-66.6-49.400113.6N142 E143 K217 V218N142-Q146 WeakPolarHBondContact O-CA 3.36Å; N142-Q146 PolarHBondContact O-N 2.8Å; E143-Q146 PolarHBondContact O-NE2 3.09Å; Q146-K217 HydrophobicContact CB-CB 4.32Å; Q146-K217 HydrophobicContact CB-CG 4.41Å; Q146-V218 PolarHBondContact O-N 3.08Å
147N86.6Confident91Very high5 Ų539.8 Ų39.83%0.02720%0.201CC..  trans-94.5152.3179.3-62-11.2000111.3V141 N142 T145 F209 Y214V141-N147 WeakPolarHBondContact CA-O 3.38Å; N142-N147 PolarHBondContact N-O 2.76Å; T145-N147 PolarHBondContact O-N 2.84Å; T145-N147 PolarHBondContact O-OD1 3.37Å; T145-N147 WeakPolarHBondContact OG1-CB 3.3Å; T145-N147 PolarHBondContact OG1-N 3.28Å; N147-F209 WeakPolarHBondContact ND2-CE2 3.47Å; N147-F209 WeakPolarHBondContact ND2-CZ 3.42Å; N147-Y214 VanDerWaalsContact CG-CE1 3.43Å; N147-Y214 WeakPolarHBondContact ND2-CE1 3.1Å; N147-Y214 VanDerWaalsContact OD1-CD1 3.3Å; N147-Y214 WeakPolarHBondContact OD1-CD1 3.22Å; N147-Y214 VanDerWaalsContact OD1-CE1 3.23Å; N147-Y214 WeakPolarHBondContact OD1-CE1 3.3Å
148L89.9Confident91.1Very high19 Ų1941.1 Ų41.110%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-67.7134.7171-69.6167.6000110.7V141 I176 D177 V218 I231 F232V141-L148 HydrophobicContact CG2-CD2 3.85Å; L148-I176 HydrophobicContact CB-CG2 4.42Å; L148-D177 WeakPolarHBondContact O-CB 3.41Å; L148-V218 HydrophobicContact CD1-CG2 4.38Å; L148-V218 HydrophobicContact CD2-CG2 3.99Å; L148-V218 HydrophobicContact CG-CG2 3.71Å; L148-I231 HydrophobicContact CD1-CG1 4.05Å; L148-I231 HydrophobicContact CD2-CD1 3.62Å; L148-I231 HydrophobicContact CD2-CG1 3.88Å; L148-I231 HydrophobicContact CD2-CG2 4.36Å; L148-F232 HydrophobicContact CB-CE1 4.24Å; L148-F232 HydrophobicContact CD1-CD1 4.17Å; L148-F232 HydrophobicContact CD1-CE1 4.06Å
149Q92.8Very high91.2Very high0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-127.4139.6172.4-52.5-172.3-68.700110.6F139 R140 N142 D177 Y179 N185F139-Q149 CarbonylContact C-O 3.55Å; F139-Q149 WeakPolarHBondContact CA-O 3.15Å; F139-Q149 VanDerWaalsContact CB-O 3.26Å; F139-Q149 WeakPolarHBondContact CB-O 3.44Å; R140-Q149 HydrophobicContact CG-CB 4.11Å; R140-Q149 VanDerWaalsContact CZ-OE1 3.28Å; R140-Q149 PolarHBondContact N-O 3.1Å; R140-Q149 PolarHBondContact O-N 2.94Å; N142-Q149 HydrophobicContact CB-CG 4.07Å; N142-Q149 PolarHBondContact ND2-OE1 2.9Å; Q149-D177 CarbonylContact C-O 3.53Å; Q149-D177 WeakPolarHBondContact CA-O 3.31Å; Q149-D177 HydrophobicContact CG-CB 4.02Å; Q149-D177 WeakPolarHBondContact CG-OD2 3.43Å; Q149-D177 PolarHBondContact NE2-OD2 3.14Å; Q149-Y179 HydrophobicContact CB-CD1 3.66Å; Q149-Y179 HydrophobicContact CB-CE1 4.34Å; Q149-Y179 HydrophobicContact CB-CG 4.44Å; Q149-N185 PolarHBondContact NE2-O 2.91Å; Q149-N185 PolarHBondContact OE1-O 3.43Å
150I94.7Very high91.4Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-108.3147.5171.863.8-178.2000110.8V132 F139 A152 I155 T174 I176 D177 L178 Y179 F232V132-I150 HydrophobicContact CG1-CG2 3.95Å; F139-I150 HydrophobicContact CB-CG2 4.05Å; I150-A152 PolarHBondContact O-N 2.98Å; I150-I155 HydrophobicContact CD1-CD1 4.19Å; I150-I155 HydrophobicContact CD1-CG1 4.23Å; I150-T174 HydrophobicContact CD1-CG2 4.3Å; I150-I176 HydrophobicContact CD1-CB 4.32Å; I150-I176 HydrophobicContact CD1-CG2 4.47Å; I150-I176 HydrophobicContact CG1-CG2 4.26Å; I150-I176 HydrophobicContact CG2-CG2 3.92Å; I150-D177 PolarHBondContact N-O 3.15Å; I150-L178 HydrophobicContact CD1-CD2 4.16Å; I150-L178 HydrophobicContact CG1-CD2 3.57Å; I150-L178 WeakPolarHBondContact O-CA 3.28Å; I150-Y179 VanDerWaalsContact C-CE1 3.48Å; I150-Y179 WeakPolarHBondContact O-CD1 3.31Å; I150-Y179 PolarHBondContact O-N 3.45Å; I150-F232 HydrophobicContact CG2-CE1 3.82Å; I150-F232 HydrophobicContact CG2-CZ 3.61Å
151H95.3Very high91.7Very high31 Ų3147.8 Ų47.814%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-76.7111.4-174.1-170.9-77000110.9S138 G153 D154 I155 Y179 P180S138-H151 VanDerWaalsContact O-CB 3.32Å; S138-H151 WeakPolarHBondContact O-CB 3.37Å; S138-H151 PolarHBondContact O-N 3.28Å; H151-G153 VanDerWaalsContact C-N 3.31Å; H151-G153 PolarHBondContact ND1-N 2.89Å; H151-G153 VanDerWaalsContact ND1-N 3.18Å; H151-G153 PolarHBondContact O-N 2.83Å; H151-D154 HydrophobicContact CB-CB 4.4Å; H151-D154 IonicContact CG-OD2 3.58Å; H151-D154 PolarHBondContact ND1-N 2.94Å; H151-D154 IonicContact ND1-OD2 3.52Å; H151-D154 PolarHBondContact O-N 3.48Å; H151-D154 VanDerWaalsContact O-N 3.09Å; H151-I155 PolarHBondContact O-N 2.8Å; H151-Y179 HydrophobicContact CB-CD1 4.47Å; H151-Y179 HydrophobicContact CB-CE1 3.75Å; H151-Y179 HydrophobicContact CB-CE2 4.4Å; H151-Y179 AromaticContact CD2-CE2 3.5Å; H151-Y179 AromaticContact CD2-CZ 3.65Å; H151-Y179 VanDerWaalsContact N-CE1 3.34Å; H151-P180 PolarHBondContact CE1-O 2.9Å; H151-P180 PolarHBondContact NE2-O 3.22Å
152A94.6Very high92Very high0 Ų052.3 Ų52.30%025%0.247CC..Hα-helixtrans-57.1-42.9-175.100000112.2I150 D154 I155 L156 L178 Y179 V187 Q190 I199I150-A152 PolarHBondContact O-N 2.98Å; A152-D154 VanDerWaalsContact C-N 3.28Å; A152-D154 PolarHBondContact O-N 3.38Å; A152-I155 WeakPolarHBondContact O-CB 3.45Å; A152-I155 PolarHBondContact O-N 3.18Å; A152-L156 WeakPolarHBondContact O-CG 3.39Å; A152-L156 PolarHBondContact O-N 2.97Å; A152-L178 HydrophobicContact CB-CB 4.43Å; A152-L178 HydrophobicContact CB-CD2 4.29Å; A152-Y179 PolarHBondContact N-O 3.46Å; A152-V187 HydrophobicContact CB-CG2 4.41Å; A152-Q190 HydrophobicContact CB-CB 4Å; A152-I199 HydrophobicContact CB-CG2 3.91Å
153G93.9Very high92.5Very high13 Ų1354.6 Ų54.613%0.13426%0.257CS..Hα-helixtrans-62.9-28.3179.600000114.8H151 K157H151-G153 VanDerWaalsContact C-N 3.31Å; H151-G153 PolarHBondContact ND1-N 2.89Å; H151-G153 VanDerWaalsContact ND1-N 3.18Å; H151-G153 PolarHBondContact O-N 2.83Å; G153-K157 WeakPolarHBondContact O-CG 3.36Å; G153-K157 PolarHBondContact O-N 3.35Å
154D95.6Very high93.1Very high29 Ų2948.1 Ų48.116%0.15523%0.229CC..Hα-helixtrans-78.8-36.7178.3-72.9-20.9000110.5C137 S138 H151 A152 K157 F158C137-D154 HydrophobicContact CB-CB 3.78Å; S138-D154 WeakPolarHBondContact CB-OD2 3.4Å; S138-D154 PolarHBondContact N-OD2 3.35Å; S138-D154 PolarHBondContact OG-OD2 2.62Å; H151-D154 HydrophobicContact CB-CB 4.4Å; H151-D154 IonicContact CG-OD2 3.58Å; H151-D154 PolarHBondContact ND1-N 2.94Å; H151-D154 IonicContact ND1-OD2 3.52Å; H151-D154 PolarHBondContact O-N 3.48Å; H151-D154 VanDerWaalsContact O-N 3.09Å; A152-D154 VanDerWaalsContact C-N 3.28Å; A152-D154 PolarHBondContact O-N 3.38Å; D154-K157 WeakPolarHBondContact O-CB 3.34Å; D154-K157 PolarHBondContact O-N 2.89Å; D154-K157 IonicContact OD1-NZ 2.69Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; D154-F158 PolarHBondContact O-N 3.26Å
155I96.1Very high93.6Very high0 Ų051 Ų510%024%0.239CC..Hα-helixtrans-61.4-43.7170.7-57.6-61.6000111.2I94 T135 C137 I150 H151 A152 K157 F158 L159 I199I94-I155 HydrophobicContact CD1-CD1 4.22Å; I94-I155 HydrophobicContact CD1-CG2 3.26Å; I94-I155 HydrophobicContact CG2-CD1 4.44Å; T135-I155 HydrophobicContact CG2-CD1 3.76Å; T135-I155 WeakPolarHBondContact OG1-CD1 3.42Å; C137-I155 HydrophobicContact CB-CD1 3.61Å; C137-I155 HydrophobicContact CB-CG1 4.13Å; I150-I155 HydrophobicContact CD1-CD1 4.19Å; I150-I155 HydrophobicContact CD1-CG1 4.23Å; H151-I155 PolarHBondContact O-N 2.8Å; A152-I155 WeakPolarHBondContact O-CB 3.45Å; A152-I155 PolarHBondContact O-N 3.18Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 2.9Å; I155-F158 WeakPolarHBondContact O-CA 3.47Å; I155-F158 WeakPolarHBondContact O-CB 3.32Å; I155-F158 PolarHBondContact O-N 3.02Å; I155-F158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.97Å; I155-L159 HydrophobicContact CG2-CG 4.17Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.84Å; I155-I199 HydrophobicContact CB-CB 4.46Å; I155-I199 HydrophobicContact CB-CG1 4.23Å; I155-I199 HydrophobicContact CB-CG2 4.47Å; I155-I199 HydrophobicContact CG2-CB 3.91Å; I155-I199 HydrophobicContact CG2-CD1 3.8Å; I155-I199 HydrophobicContact CG2-CG1 3.67Å; I155-I199 HydrophobicContact CG2-CG2 4.44Å
156L95.3Very high94.2Very high15 Ų1551.5 Ų51.58%0.07924%0.241CC..Hα-helixtrans-60.1-40.8176.8-67.5-179.3000112.2A152 F158 L159 K160 Q190 V197 I199A152-L156 WeakPolarHBondContact O-CG 3.39Å; A152-L156 PolarHBondContact O-N 2.97Å; L156-F158 VanDerWaalsContact C-N 3.32Å; L156-F158 PolarHBondContact O-N 3.35Å; L156-L159 PolarHBondContact O-N 3.4Å; L156-K160 WeakPolarHBondContact O-CB 3.26Å; L156-K160 PolarHBondContact O-N 2.75Å; L156-Q190 HydrophobicContact CD1-CB 4.18Å; L156-Q190 HydrophobicContact CD1-CG 3.85Å; L156-V197 HydrophobicContact CB-CG2 4.27Å; L156-V197 HydrophobicContact CD2-CB 4.39Å; L156-V197 HydrophobicContact CD2-CG2 3.99Å; L156-I199 HydrophobicContact CD2-CB 4.21Å; L156-I199 HydrophobicContact CD2-CG2 3.76Å; L156-I199 HydrophobicContact CG-CG2 3.98Å
157K96Very high94.7Very high127 Ų12747.5 Ų47.555%0.55222%0.222SC*.Hα-helixtrans-62-40.6173.6-67.5167.5-163.4157.90111.6G153 D154 I155 K161G153-K157 WeakPolarHBondContact O-CG 3.36Å; G153-K157 PolarHBondContact O-N 3.35Å; D154-K157 WeakPolarHBondContact O-CB 3.34Å; D154-K157 PolarHBondContact O-N 2.89Å; D154-K157 IonicContact OD1-NZ 2.69Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 2.9Å; K157-K161 WeakPolarHBondContact O-CG 3.4Å; K157-K161 PolarHBondContact O-N 2.9Å
158F96.9Very high95.1Very high27 Ų2747.7 Ų47.712%0.11822%0.223CC..Hα-helixtrans-62.7-50.7175.4169.9-93.6000111.5V130 T135 D154 I155 L156 K160 K161 K162V130-F158 HydrophobicContact CG1-CE1 4.24Å; V130-F158 HydrophobicContact CG1-CZ 3.84Å; V130-F158 HydrophobicContact CG2-CZ 4.3Å; T135-F158 HydrophobicContact CG2-CD1 4.19Å; T135-F158 HydrophobicContact CG2-CE1 4.3Å; T135-F158 HydrophobicContact CG2-CG 4.38Å; D154-F158 PolarHBondContact O-N 3.26Å; I155-F158 WeakPolarHBondContact O-CA 3.47Å; I155-F158 WeakPolarHBondContact O-CB 3.32Å; I155-F158 PolarHBondContact O-N 3.02Å; I155-F158 VanDerWaalsContact O-N 3.09Å; L156-F158 VanDerWaalsContact C-N 3.32Å; L156-F158 PolarHBondContact O-N 3.35Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 3.46Å; F158-K161 WeakPolarHBondContact O-CB 3.48Å; F158-K161 PolarHBondContact O-N 3.25Å; F158-K161 VanDerWaalsContact O-N 3.11Å; F158-K162 HydrophobicContact CE1-CG 4.05Å; F158-K162 HydrophobicContact CE2-CG 4.07Å; F158-K162 HydrophobicContact CZ-CG 3.79Å; F158-K162 PolarHBondContact O-N 3.28Å; F158-K162 VanDerWaalsContact O-N 3.14Å
159L96.9Very high95.4Very high0 Ų046.8 Ų46.80%022%0.218CC..Hα-helixtrans-61.6-38.8179.9-67.6174.7000111.9Q92 I155 L156 K161 K162 K163 I170 V197 G198 I199Q92-L159 HydrophobicContact CB-CD2 3.77Å; Q92-L159 HydrophobicContact CG-CD2 3.72Å; I155-L159 HydrophobicContact CG2-CD1 3.97Å; I155-L159 HydrophobicContact CG2-CG 4.17Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.4Å; L159-K161 VanDerWaalsContact C-N 3.28Å; L159-K161 PolarHBondContact O-N 3.15Å; L159-K162 CarbonylContact O-C 3.57Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-K163 PolarHBondContact O-N 3.17Å; L159-I170 HydrophobicContact CB-CG2 4.25Å; L159-I170 HydrophobicContact CD2-CD1 3.88Å; L159-I170 HydrophobicContact CD2-CG1 4.19Å; L159-V197 HydrophobicContact CB-CB 4.33Å; L159-V197 HydrophobicContact CB-CG1 4.36Å; L159-G198 WeakPolarHBondContact CD1-O 3.37Å; L159-I199 HydrophobicContact CD1-CB 4.46Å
160K96.3Very high95.6Very high110 Ų11046.8 Ų46.848%0.47822%0.218SC..Hα-helixtrans-57.9-40.5175-176.8175.6-179.1163.60112.2L156 F158 K162 D195 V197L156-K160 WeakPolarHBondContact O-CB 3.26Å; L156-K160 PolarHBondContact O-N 2.75Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 3.46Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K160-D195 HydrophobicContact CD-CB 4.24Å; K160-D195 WeakPolarHBondContact CE-OD1 3.44Å; K160-D195 IonicContact NZ-OD1 3.69Å; K160-D195 PolarHBondContact NZ-OD1 3.41Å; K160-D195 IonicContact NZ-OD2 3.74Å; K160-D195 PolarHBondContact NZ-OD2 2.81Å; K160-D195 VanDerWaalsContact NZ-OD2 3.1Å; K160-V197 HydrophobicContact CB-CG1 4.23Å
161K96.3Very high95.7Very high186 Ų18646.8 Ų46.881%0.80922%0.218SC*.Hα-helixtrans-72.1-25176.6-67.3175.3-178.1-179.10113.2K157 F158 L159K157-K161 WeakPolarHBondContact O-CG 3.4Å; K157-K161 PolarHBondContact O-N 2.9Å; F158-K161 WeakPolarHBondContact O-CB 3.48Å; F158-K161 PolarHBondContact O-N 3.25Å; F158-K161 VanDerWaalsContact O-N 3.11Å; L159-K161 VanDerWaalsContact C-N 3.28Å; L159-K161 PolarHBondContact O-N 3.15Å
162K95.9Very high95.8Very high127 Ų12745.3 Ų45.355%0.55221%0.211SC*.Hα-helixtrans-97-4.8-178.9-70-66.1-172.8175.90113.7F158 L159 K160 P164F158-K162 HydrophobicContact CE1-CG 4.05Å; F158-K162 HydrophobicContact CE2-CG 4.07Å; F158-K162 HydrophobicContact CZ-CG 3.79Å; F158-K162 PolarHBondContact O-N 3.28Å; F158-K162 VanDerWaalsContact O-N 3.14Å; L159-K162 CarbonylContact O-C 3.57Å; L159-K162 PolarHBondContact O-N 3.42Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K162-P164 WeakPolarHBondContact O-CD 3.3Å
163K95.6Very high95.8Very high54 Ų5445.4 Ų45.424%0.23521%0.211CC..  trans-61.1118.2-177.3-174.5175.7-178.5178.90110.3L159 A167 F168 I170 D195 V197L159-K163 PolarHBondContact O-N 3.17Å; K163-A167 HydrophobicContact CD-CB 4.44Å; K163-A167 WeakPolarHBondContact CE-O 3.19Å; K163-A167 HydrophobicContact CG-CB 3.77Å; K163-F168 PolarHBondContact NZ-O 3.07Å; K163-I170 HydrophobicContact CB-CG2 3.77Å; K163-I170 HydrophobicContact CD-CG2 4.22Å; K163-I170 HydrophobicContact CG-CB 4.46Å; K163-I170 HydrophobicContact CG-CG2 3.78Å; K163-D195 PolarHBondContact NZ-O 3.47Å; K163-V197 HydrophobicContact CD-CG1 4.46Å
164P96.2Very high95.9Very high33 Ų3344.8 Ų44.821%0.21421%0.205CC..  trans-62.8154.7175.1-25.237.7000112.3Y90 K162 D166 A167Y90-P164 HydrophobicContact CD1-CG 3.89Å; Y90-P164 HydrophobicContact CD2-CB 4.28Å; Y90-P164 HydrophobicContact CD2-CG 3.91Å; Y90-P164 HydrophobicContact CE1-CB 4.25Å; Y90-P164 HydrophobicContact CE1-CG 3.71Å; Y90-P164 HydrophobicContact CE2-CB 3.67Å; Y90-P164 HydrophobicContact CE2-CG 3.71Å; Y90-P164 HydrophobicContact CG-CG 3.96Å; K162-P164 WeakPolarHBondContact O-CD 3.3Å; P164-D166 VanDerWaalsContact C-N 3.35Å; P164-D166 PolarHBondContact O-N 3.22Å; P164-A167 HydrophobicContact CB-CB 4.31Å; P164-A167 WeakPolarHBondContact O-CB 3.38Å; P164-A167 PolarHBondContact O-N 3.21Å; P164-A167 VanDerWaalsContact O-N 3.11Å
165E93.2Very high95.8Very high183 Ų18343.5 Ų43.586%0.85520%0.198SC*.THydrogen-bonded Turntrans-64.7-37-175.8-64.4-174.6164.300113.1A167E165-A167 PolarHBondContact O-N 3.46Å
166D94.9Very high95.6Very high37 Ų3743.8 Ų43.820%0.19820%0.199CC..THydrogen-bonded Turntrans-80.92.6177.278.8-41.7000113.4D85 K86 C87 S88 Y90 R123 K125 P164 F168D85-D166 VanDerWaalsContact O-CA 3.22Å; D85-D166 WeakPolarHBondContact O-CA 3.35Å; D85-D166 WeakPolarHBondContact O-CB 3.46Å; K86-D166 WeakPolarHBondContact CA-O 3.42Å; C87-D166 PolarHBondContact N-O 3.29Å; S88-D166 WeakPolarHBondContact CB-O 3.49Å; S88-D166 WeakPolarHBondContact CB-OD2 3.37Å; S88-D166 PolarHBondContact N-O 3.02Å; S88-D166 PolarHBondContact OG-OD2 3.09Å; Y90-D166 VanDerWaalsContact CE2-OD1 3.27Å; Y90-D166 WeakPolarHBondContact CE2-OD1 3.44Å; Y90-D166 VanDerWaalsContact CZ-OD1 3.28Å; Y90-D166 VanDerWaalsContact OH-CG 3.25Å; Y90-D166 PolarHBondContact OH-OD1 3.02Å; Y90-D166 PolarHBondContact OH-OD2 2.94Å; R123-D166 IonicContact NH2-OD2 3.63Å; K125-D166 IonicContact NZ-OD2 3.67Å; K125-D166 PolarHBondContact NZ-OD2 3.34Å; P164-D166 VanDerWaalsContact C-N 3.35Å; P164-D166 PolarHBondContact O-N 3.22Å; D166-F168 PolarHBondContact O-N 3.13Å
167A96Very high95.5Very high1 Ų143.2 Ų43.21%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-75.3120.2-178.300000110.7S88 Y90 K163 P164 E165 C169S88-A167 CarbonylContact O-C 3.58Å; S88-A167 WeakPolarHBondContact O-CA 3.35Å; Y90-A167 HydrophobicContact CD2-CB 3.46Å; Y90-A167 VanDerWaalsContact CD2-CB 3.46Å; Y90-A167 HydrophobicContact CE2-CB 3.68Å; K163-A167 HydrophobicContact CD-CB 4.44Å; K163-A167 WeakPolarHBondContact CE-O 3.19Å; K163-A167 HydrophobicContact CG-CB 3.77Å; P164-A167 HydrophobicContact CB-CB 4.31Å; P164-A167 WeakPolarHBondContact O-CB 3.38Å; P164-A167 PolarHBondContact O-N 3.21Å; P164-A167 VanDerWaalsContact O-N 3.11Å; E165-A167 PolarHBondContact O-N 3.46Å; A167-C169 VanDerWaalsContact C-N 3.34Å
168F95.8Very high95.3Very high10 Ų1037.1 Ų37.14%0.04417%0.17CC..EExtended strand (participates in β ladder)trans-58.5-54.3156.9176.9-112000108.8K80 P82 K86 S88 K163 D166 I259 F260K80-F168 HydrophobicContact CB-CE2 3.89Å; K80-F168 HydrophobicContact CB-CZ 4.11Å; P82-F168 HydrophobicContact CB-CD2 4.16Å; P82-F168 HydrophobicContact CG-CD1 4.5Å; P82-F168 HydrophobicContact CG-CD2 3.82Å; P82-F168 HydrophobicContact CG-CE2 3.89Å; P82-F168 HydrophobicContact CG-CG 4.14Å; P82-F168 HydrophobicContact CG-CZ 4.27Å; K86-F168 WeakPolarHBondContact O-CB 3.25Å; S88-F168 PolarHBondContact O-N 2.86Å; K163-F168 PolarHBondContact NZ-O 3.07Å; D166-F168 PolarHBondContact O-N 3.13Å; F168-I259 HydrophobicContact CE1-CG2 3.98Å; F168-I259 HydrophobicContact CZ-CG2 4.22Å; F168-F260 HydrophobicContact CD1-CE1 4.45Å; F168-F260 HydrophobicContact CD1-CZ 4.22Å; F168-F260 AromaticContact CE1-CD1 3.91Å; F168-F260 HydrophobicContact CE1-CD1 3.91Å; F168-F260 HydrophobicContact CE1-CD2 4.12Å; F168-F260 AromaticContact CE1-CE1 3.62Å; F168-F260 HydrophobicContact CE1-CE1 3.62Å; F168-F260 AromaticContact CE1-CE2 3.82Å; F168-F260 HydrophobicContact CE1-CE2 3.82Å; F168-F260 HydrophobicContact CE1-CG 4.16Å; F168-F260 AromaticContact CE1-CZ 3.56Å; F168-F260 HydrophobicContact CE1-CZ 3.56Å; F168-F260 HydrophobicContact CE2-CE1 4.44Å; F168-F260 AromaticContact CZ-CD1 3.58Å; F168-F260 HydrophobicContact CZ-CD1 3.58Å; F168-F260 HydrophobicContact CZ-CD2 4.46Å; F168-F260 AromaticContact CZ-CE1 3.62Å; F168-F260 HydrophobicContact CZ-CE1 3.62Å; F168-F260 HydrophobicContact CZ-CE2 4.47Å; F168-F260 HydrophobicContact CZ-CG 4.04Å; F168-F260 HydrophobicContact CZ-CZ 4.07Å
169C96.2Very high95.1Very high0 Ų036.2 Ų36.20%017%0.166CC..EExtended strand (participates in β ladder)trans-146.8161.2174.868.80000112.7S88 Y90 A167 G196 I259S88-C169 PolarHBondContact O-N 2.92Å; Y90-C169 PolarHBondContact N-O 3.34Å; A167-C169 VanDerWaalsContact C-N 3.34Å; C169-G196 WeakPolarHBondContact CA-O 3.45Å; C169-G196 VanDerWaalsContact CB-O 3.3Å; C169-G196 WeakPolarHBondContact CB-O 3.35Å; C169-I259 HydrophobicContact CB-CD1 3.78Å; C169-I259 HydrophobicContact CB-CG2 3.87Å
170I96.8Very high94.6Very high0 Ų037.4 Ų37.40%017%0.174CC..EExtended strand (participates in β ladder)trans-123.8127.9167.3179.9176.9000108.3Y90 Q92 L127 L159 K163 G196 V197 G198Y90-I170 CarbonylContact O-C 3.52Å; Y90-I170 WeakPolarHBondContact O-CA 3.5Å; Q92-I170 HydrophobicContact CB-CD1 4.31Å; Q92-I170 HydrophobicContact CB-CG1 4.41Å; L127-I170 HydrophobicContact CD1-CD1 3.56Å; L127-I170 HydrophobicContact CD1-CG1 4.32Å; L159-I170 HydrophobicContact CB-CG2 4.25Å; L159-I170 HydrophobicContact CD2-CD1 3.88Å; L159-I170 HydrophobicContact CD2-CG1 4.19Å; K163-I170 HydrophobicContact CB-CG2 3.77Å; K163-I170 HydrophobicContact CD-CG2 4.22Å; K163-I170 HydrophobicContact CG-CB 4.46Å; K163-I170 HydrophobicContact CG-CG2 3.78Å; I170-G196 PolarHBondContact N-O 3.27Å; I170-V197 HydrophobicContact CG2-CB 4.34Å; I170-V197 HydrophobicContact CG2-CG1 3.61Å; I170-V197 VanDerWaalsContact O-CA 3.26Å; I170-V197 WeakPolarHBondContact O-CA 3.44Å; I170-G198 PolarHBondContact O-N 3.03Å; I170-G198 VanDerWaalsContact O-N 3.1Å
171V96.5Very high94.1Very high0 Ų038.6 Ų38.60%018%0.175CC..EExtended strand (participates in β ladder)trans-119.1126.6178.1-660000110.2Y90 I91 Q92 G198 F200 L252 I256 I259Y90-V171 PolarHBondContact O-N 3.34Å; I91-V171 CarbonylContact C-O 3.59Å; I91-V171 WeakPolarHBondContact CA-O 3.09Å; I91-V171 HydrophobicContact CG1-CG2 4.05Å; Q92-V171 PolarHBondContact N-O 2.68Å; V171-G198 CarbonylContact C-O 3.52Å; V171-G198 WeakPolarHBondContact CA-O 3.48Å; V171-F200 HydrophobicContact CB-CD2 4.34Å; V171-F200 HydrophobicContact CB-CE2 3.62Å; V171-F200 HydrophobicContact CB-CZ 4.34Å; V171-F200 HydrophobicContact CG1-CE2 3.62Å; V171-F200 HydrophobicContact CG1-CZ 3.96Å; V171-F200 HydrophobicContact CG2-CE2 4.38Å; V171-L252 HydrophobicContact CG2-CD1 3.92Å; V171-I256 HydrophobicContact CG1-CD1 4.43Å; V171-I256 HydrophobicContact CG1-CG1 3.82Å; V171-I256 HydrophobicContact CG2-CD1 4.2Å; V171-I256 HydrophobicContact CG2-CG1 4.48Å; V171-I259 HydrophobicContact CG1-CD1 3.96Å
172G96.3Very high93.4Very high0 Ų035.9 Ų35.90%017%0.169CC..EExtended strand (participates in β ladder)trans-82.5143169.900000110.7Q92 G198 I199 F200Q92-G172 CarbonylContact O-C 3.53Å; Q92-G172 WeakPolarHBondContact O-CA 3.36Å; G172-G198 PolarHBondContact N-O 2.88Å; G172-I199 VanDerWaalsContact C-CD1 3.46Å; G172-I199 WeakPolarHBondContact O-CA 3.41Å; G172-I199 WeakPolarHBondContact O-CD1 3.49Å; G172-F200 PolarHBondContact O-N 3.22Å
173I96.2Very high92.7Very high1 Ų134.6 Ų34.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-128.2140.5170.856171.4000109.8I91 Q92 I94 L97 L111 F200 F202 L252I91-I173 HydrophobicContact CG2-CD1 3.65Å; I91-I173 HydrophobicContact CG2-CG1 3.89Å; Q92-I173 PolarHBondContact O-N 3.27Å; I94-I173 PolarHBondContact N-O 3.47Å; L97-I173 HydrophobicContact CD1-CD1 3.49Å; L97-I173 VanDerWaalsContact CD1-CD1 3.49Å; L97-I173 HydrophobicContact CD1-CG1 3.85Å; L111-I173 HydrophobicContact CD1-CD1 3.87Å; I173-F200 WeakPolarHBondContact CA-O 3.49Å; I173-F200 HydrophobicContact CG2-CD2 4.4Å; I173-F202 HydrophobicContact CB-CE2 3.92Å; I173-F202 HydrophobicContact CB-CZ 4.17Å; I173-F202 HydrophobicContact CD1-CE2 4.45Å; I173-F202 HydrophobicContact CG2-CE2 4.08Å; I173-F202 HydrophobicContact CG2-CZ 3.82Å; I173-L252 HydrophobicContact CG2-CD1 4.32Å
174T95.3Very high91.7Very high0 Ų037.9 Ų37.90%019%0.187CC..EExtended strand (participates in β ladder)trans-146.9155.4-179.5-170.60000112I94 I150 I176 L178 I199 F200 S201 F202I94-T174 WeakPolarHBondContact O-CB 3.31Å; I94-T174 PolarHBondContact O-OG1 3.34Å; I150-T174 HydrophobicContact CD1-CG2 4.3Å; T174-I176 VanDerWaalsContact C-N 3.35Å; T174-I176 VanDerWaalsContact CG2-O 3.27Å; T174-I176 WeakPolarHBondContact CG2-O 3.1Å; T174-I176 PolarHBondContact OG1-N 3.07Å; T174-I176 VanDerWaalsContact OG1-N 3.17Å; T174-L178 HydrophobicContact CG2-CD2 4.36Å; T174-I199 HydrophobicContact CG2-CD1 4.19Å; T174-F200 PolarHBondContact N-O 3.48Å; T174-S201 WeakPolarHBondContact O-CA 3.4Å; T174-F202 PolarHBondContact O-N 3.34Å
175M93.7Very high90.8Very high3 Ų341 Ų412%0.01520%0.202CC..SBendtrans-94.26.9168-73.5-65.3-173.600112.5L97 Y107 F202 A203 Y235 I237 I240 L244L97-M175 HydrophobicContact CB-CG 4.32Å; L97-M175 HydrophobicContact CD2-CB 4.47Å; L97-M175 HydrophobicContact CD2-CG 3.87Å; L97-M175 VanDerWaalsContact O-CE 3.24Å; L97-M175 WeakPolarHBondContact O-CE 3.41Å; Y107-M175 HydrophobicContact CD1-CE 4.02Å; Y107-M175 HydrophobicContact CE1-CE 3.38Å; M175-F202 HydrophobicContact CE-CB 4.21Å; M175-F202 HydrophobicContact CE-CD2 4.26Å; M175-F202 HydrophobicContact SD-CB 3.68Å; M175-F202 HydrophobicContact SD-CD2 4.42Å; M175-A203 VanDerWaalsContact O-CB 3.23Å; M175-A203 WeakPolarHBondContact O-CB 3.34Å; M175-Y235 HydrophobicContact CB-CE2 4.15Å; M175-I237 HydrophobicContact CB-CG1 4.16Å; M175-I237 HydrophobicContact CB-CG2 4.4Å; M175-I237 HydrophobicContact CG-CG2 3.98Å; M175-I240 HydrophobicContact CE-CD1 3.65Å; M175-L244 HydrophobicContact CE-CD2 4.05Å
176I92.5Very high90.3Very high5 Ų535.1 Ų35.13%0.02617%0.174CC..SBendtrans-99.5138.6178.6-56.1161.7000108.9V132 L148 I150 T174 S201 F232 Y235V132-I176 HydrophobicContact CG2-CD1 3.39Å; L148-I176 HydrophobicContact CB-CG2 4.42Å; I150-I176 HydrophobicContact CD1-CB 4.32Å; I150-I176 HydrophobicContact CD1-CG2 4.47Å; I150-I176 HydrophobicContact CG1-CG2 4.26Å; I150-I176 HydrophobicContact CG2-CG2 3.92Å; T174-I176 VanDerWaalsContact C-N 3.35Å; T174-I176 VanDerWaalsContact CG2-O 3.27Å; T174-I176 WeakPolarHBondContact CG2-O 3.1Å; T174-I176 PolarHBondContact OG1-N 3.07Å; T174-I176 VanDerWaalsContact OG1-N 3.17Å; I176-S201 VanDerWaalsContact C-OG 3.3Å; I176-S201 WeakPolarHBondContact O-CB 3.48Å; I176-S201 PolarHBondContact O-OG 2.96Å; I176-F232 HydrophobicContact CD1-CD1 3.72Å; I176-F232 HydrophobicContact CD1-CE1 3.96Å; I176-F232 HydrophobicContact CG2-CE1 4.13Å; I176-Y235 HydrophobicContact CD1-CD1 4.18Å; I176-Y235 HydrophobicContact CD1-CE1 3.72Å; I176-Y235 HydrophobicContact CD1-CE2 4.21Å; I176-Y235 HydrophobicContact CG1-CD1 4.27Å; I176-Y235 HydrophobicContact CG1-CD2 3.88Å; I176-Y235 HydrophobicContact CG1-CE1 3.99Å; I176-Y235 HydrophobicContact CG1-CE2 3.58Å; I176-Y235 HydrophobicContact CG1-CG 4.22Å
177D92.4Very high89.6Confident3 Ų334.6 Ų34.62%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-64.7153.2-178.3-171.927.6000111.9L148 Q149 I150 A203 R204L148-D177 WeakPolarHBondContact O-CB 3.41Å; Q149-D177 CarbonylContact C-O 3.53Å; Q149-D177 WeakPolarHBondContact CA-O 3.31Å; Q149-D177 HydrophobicContact CG-CB 4.02Å; Q149-D177 WeakPolarHBondContact CG-OD2 3.43Å; Q149-D177 PolarHBondContact NE2-OD2 3.14Å; I150-D177 PolarHBondContact N-O 3.15Å; D177-A203 HydrophobicContact CB-CB 4.02Å; D177-R204 VanDerWaalsContact CG-NE 3.33Å; D177-R204 IonicContact OD1-CZ 3.5Å; D177-R204 IonicContact OD1-NE 3.97Å; D177-R204 PolarHBondContact OD1-NE 2.96Å; D177-R204 IonicContact OD1-NH2 2.66Å; D177-R204 IonicContact OD2-CZ 3.3Å; D177-R204 IonicContact OD2-NE 3.98Å; D177-R204 PolarHBondContact OD2-NE 2.84Å; D177-R204 IonicContact OD2-NH2 3.62Å; D177-R204 PolarHBondContact OD2-NH2 3.42Å
178L92.6Very high89Confident0 Ų036.1 Ų36.10%018%0.179CC..EExtended strand (participates in β ladder)trans-117.1146.1-174.2-66.9167.6000111.5I150 A152 T174 F186 V187 I199I150-L178 HydrophobicContact CD1-CD2 4.16Å; I150-L178 HydrophobicContact CG1-CD2 3.57Å; I150-L178 WeakPolarHBondContact O-CA 3.28Å; A152-L178 HydrophobicContact CB-CB 4.43Å; A152-L178 HydrophobicContact CB-CD2 4.29Å; T174-L178 HydrophobicContact CG2-CD2 4.36Å; L178-F186 CarbonylContact O-C 3.57Å; L178-F186 WeakPolarHBondContact O-CA 3Å; L178-F186 WeakPolarHBondContact O-CB 3.45Å; L178-V187 HydrophobicContact CB-CG2 3.9Å; L178-V187 PolarHBondContact O-N 3.26Å; L178-I199 HydrophobicContact CD1-CG1 3.94Å; L178-I199 HydrophobicContact CD1-CG2 4.41Å; L178-I199 HydrophobicContact CD2-CG1 3.98Å
179Y91.8Very high88.4Confident7 Ų736.3 Ų36.33%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-133.1143.7167.776.1-74.2000111.3R140 Q149 I150 H151 A152R140-Y179 HydrophobicContact CG-CD1 4.17Å; R140-Y179 HydrophobicContact CG-CE1 3.89Å; R140-Y179 VanDerWaalsContact CZ-CD2 3.44Å; Q149-Y179 HydrophobicContact CB-CD1 3.66Å; Q149-Y179 HydrophobicContact CB-CE1 4.34Å; Q149-Y179 HydrophobicContact CB-CG 4.44Å; I150-Y179 VanDerWaalsContact C-CE1 3.48Å; I150-Y179 WeakPolarHBondContact O-CD1 3.31Å; I150-Y179 PolarHBondContact O-N 3.45Å; H151-Y179 HydrophobicContact CB-CD1 4.47Å; H151-Y179 HydrophobicContact CB-CE1 3.75Å; H151-Y179 HydrophobicContact CB-CE2 4.4Å; H151-Y179 AromaticContact CD2-CE2 3.5Å; H151-Y179 AromaticContact CD2-CZ 3.65Å; H151-Y179 VanDerWaalsContact N-CE1 3.34Å; A152-Y179 PolarHBondContact N-O 3.46Å
180P87.3Confident87.9Confident25 Ų2539.3 Ų39.316%0.16220%0.197CC..SBendtrans-92-27.1-174.434.5-35.2000113.9H151 W184 V187H151-P180 PolarHBondContact CE1-O 2.9Å; H151-P180 PolarHBondContact NE2-O 3.22Å; P180-W184 HydrophobicContact CG-CB 3.57Å; P180-W184 HydrophobicContact CG-CD2 3.99Å; P180-W184 HydrophobicContact CG-CE3 3.89Å; P180-W184 HydrophobicContact CG-CG 3.88Å; P180-V187 HydrophobicContact CB-CG1 4.15Å; P180-V187 HydrophobicContact CB-CG2 4.48Å; P180-V187 HydrophobicContact CG-CG1 3.74Å
181R85.8Confident87.4Confident136 Ų13640.7 Ų40.751%0.51321%0.209SC..SBendtrans-164.7161.7178.354.3-178.7158.2-168.8-5.4109.7S183 W184R181-S183 PolarHBondContact O-N 3.41Å; R181-S183 VanDerWaalsContact O-N 3.15Å; R181-W184 HydrophobicContact CG-CB 4.07Å; R181-W184 HydrophobicContact CG-CG 3.85Å; R181-W184 VanDerWaalsContact CZ-NE1 3.32Å; R181-W184 VanDerWaalsContact NH2-CE2 3.25Å; R181-W184 VanDerWaalsContact NH2-CZ2 3.33Å; R181-W184 PolarHBondContact O-N 2.89Å
182D81.6Confident86.8Confident128 Ų12841.9 Ų41.968%0.68422%0.217SC*.THydrogen-bonded Turntrans-58.4-34.5-172.1-62.8-30.9000113.7R140 W184R140-D182 PolarHBondContact NH1-O 2.74Å; D182-W184 VanDerWaalsContact C-N 3.3Å; D182-W184 PolarHBondContact O-N 3.25Å
183S79.4Confident86.1Confident101 Ų10145.5 Ų45.571%0.70624%0.236SC*.THydrogen-bonded Turntrans-78.2-4-179.857.80000115.6R181R181-S183 PolarHBondContact O-N 3.41Å; R181-S183 VanDerWaalsContact O-N 3.15Å
184W76.1Confident85.4Confident122 Ų12250.2 Ų50.246%0.46227%0.265SS..  trans-107.4145.7-176.7-85.247.8000111.4R140 P180 R181 D182R140-W184 PolarHBondContact NH2-O 3.09Å; P180-W184 HydrophobicContact CG-CB 3.57Å; P180-W184 HydrophobicContact CG-CD2 3.99Å; P180-W184 HydrophobicContact CG-CE3 3.89Å; P180-W184 HydrophobicContact CG-CG 3.88Å; R181-W184 HydrophobicContact CG-CB 4.07Å; R181-W184 HydrophobicContact CG-CG 3.85Å; R181-W184 VanDerWaalsContact CZ-NE1 3.32Å; R181-W184 VanDerWaalsContact NH2-CE2 3.25Å; R181-W184 VanDerWaalsContact NH2-CZ2 3.33Å; R181-W184 PolarHBondContact O-N 2.89Å; D182-W184 VanDerWaalsContact C-N 3.3Å; D182-W184 PolarHBondContact O-N 3.25Å
185N77.3Confident85Confident99 Ų9952.7 Ų52.753%0.52928%0.278SS..  trans-70.1-56-178.6-74.8-32.7000112.4R140 N142 Q149R140-N185 PolarHBondContact NH2-O 2.75Å; N142-N185 PolarHBondContact ND2-O 3.26Å; Q149-N185 PolarHBondContact NE2-O 2.91Å; Q149-N185 PolarHBondContact OE1-O 3.43Å
186F82.6Confident84.9Confident59 Ų5952.6 Ų52.626%0.25928%0.278SS..  trans-165.1171.9179.668.7-86000111.8L178 F188 R204L178-F186 CarbonylContact O-C 3.57Å; L178-F186 WeakPolarHBondContact O-CA 3Å; L178-F186 WeakPolarHBondContact O-CB 3.45Å; F186-F188 HydrophobicContact CE2-CD2 4.12Å; F186-F188 AromaticContact CE2-CE2 3.74Å; F186-F188 HydrophobicContact CE2-CE2 3.74Å; F186-F188 AromaticContact CE2-CZ 3.96Å; F186-F188 HydrophobicContact CE2-CZ 3.96Å; F186-F188 HydrophobicContact CZ-CE2 4.48Å; F186-R204 VanDerWaalsContact CB-CZ 3.48Å; F186-R204 VanDerWaalsContact CD1-NH1 3.31Å; F186-R204 VanDerWaalsContact CG-NH2 3.34Å
187V80.2Confident85Confident26 Ų2652.4 Ų52.416%0.15828%0.277CS..BIsolated β-bridgetrans-137.4148.8162.5-70.60000109.3A152 L178 P180 G189A152-V187 HydrophobicContact CB-CG2 4.41Å; L178-V187 HydrophobicContact CB-CG2 3.9Å; L178-V187 PolarHBondContact O-N 3.26Å; P180-V187 HydrophobicContact CB-CG1 4.15Å; P180-V187 HydrophobicContact CB-CG2 4.48Å; P180-V187 HydrophobicContact CG-CG1 3.74Å; V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 WeakPolarHBondContact CB-O 3.5Å
188F82Confident85Confident34 Ų3452.2 Ų52.215%0.14928%0.276CS..SBendtrans-72.5-29.8169.3-70-77.2000111.6F186 S201 R204 Y205F186-F188 HydrophobicContact CE2-CD2 4.12Å; F186-F188 AromaticContact CE2-CE2 3.74Å; F186-F188 HydrophobicContact CE2-CE2 3.74Å; F186-F188 AromaticContact CE2-CZ 3.96Å; F186-F188 HydrophobicContact CE2-CZ 3.96Å; F186-F188 HydrophobicContact CZ-CE2 4.48Å; F188-S201 PolarHBondContact O-N 3.33Å; F188-R204 HydrophobicContact CD1-CB 4.16Å; F188-R204 HydrophobicContact CE1-CB 3.57Å; F188-R204 HydrophobicContact CE1-CG 4.42Å; F188-R204 HydrophobicContact CZ-CB 4.47Å; F188-Y205 AromaticContact CD1-CE1 3.62Å; F188-Y205 HydrophobicContact CD1-CE1 3.62Å; F188-Y205 AromaticContact CD1-CZ 3.59Å; F188-Y205 VanDerWaalsContact CD1-OH 3.27Å; F188-Y205 WeakPolarHBondContact CD1-OH 3.5Å; F188-Y205 HydrophobicContact CE1-CD1 4.12Å; F188-Y205 AromaticContact CE1-CE1 3.41Å; F188-Y205 HydrophobicContact CE1-CE1 3.41Å; F188-Y205 VanDerWaalsContact CE1-CE1 3.41Å; F188-Y205 AromaticContact CE1-CZ 3.91Å; F188-Y205 HydrophobicContact CZ-CE1 4.28Å
189G84.3Confident85.1Confident13 Ų1352.2 Ų52.213%0.13428%0.276CS..EExtended strand (participates in β ladder)trans-161.7161.7-177.500000112.1V187 I199V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 WeakPolarHBondContact CB-O 3.5Å; G189-I199 CarbonylContact C-O 3.51Å; G189-I199 WeakPolarHBondContact CA-O 3.29Å
190Q85Confident85.1Confident63 Ų6351.9 Ų51.929%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-144.8139.1168.1-167.2177.2-26.800109.1A152 L156 G198 I199A152-Q190 HydrophobicContact CB-CB 4Å; L156-Q190 HydrophobicContact CD1-CB 4.18Å; L156-Q190 HydrophobicContact CD1-CG 3.85Å; Q190-G198 CarbonylContact O-C 3.56Å; Q190-G198 WeakPolarHBondContact O-CA 3.36Å; Q190-I199 HydrophobicContact CB-CG2 4.43Å; Q190-I199 PolarHBondContact N-O 3.18Å; Q190-I199 PolarHBondContact O-N 3.08Å
191A85.6Confident85.3Confident29 Ų2950.8 Ų50.824%0.2427%0.268CS..EExtended strand (participates in β ladder)trans-131.5147.3176.500000112.3L193 V197A191-L193 HydrophobicContact CB-CD2 4.15Å; A191-V197 CarbonylContact C-O 3.53Å; A191-V197 VanDerWaalsContact CA-O 3.31Å; A191-V197 WeakPolarHBondContact CA-O 3.49Å
192S85.8Confident85.5Confident26 Ų2644.3 Ų44.318%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-104.9105.6163.6173.20000108T194 D195 G196 V197S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact OG-OG1 3.43Å; S192-D195 PolarHBondContact O-N 3.23Å; S192-D195 WeakPolarHBondContact OG-CB 3.49Å; S192-D195 PolarHBondContact OG-N 2.79Å; S192-D195 PolarHBondContact OG-OD2 2.82Å; S192-G196 WeakPolarHBondContact O-CA 3.25Å; S192-G196 PolarHBondContact O-N 3.28Å; S192-V197 PolarHBondContact N-O 3.43Å; S192-V197 PolarHBondContact O-N 2.93Å
193L81.3Confident85.7Confident75 Ų7538.3 Ų38.339%0.39321%0.211SC..THydrogen-bonded Turntrans-65.4-42.5-176.6-46.8-171.6000110.2K80 A191 D195 G196 H258 I259K80-L193 VanDerWaalsContact CD-O 3.32Å; K80-L193 WeakPolarHBondContact CD-O 3.41Å; K80-L193 WeakPolarHBondContact CE-O 3.31Å; K80-L193 PolarHBondContact NZ-O 3.45Å; A191-L193 HydrophobicContact CB-CD2 4.15Å; L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.14Å; L193-G196 PolarHBondContact O-N 3.12Å; L193-G196 VanDerWaalsContact O-N 3.17Å; L193-H258 HydrophobicContact CD2-CB 3.73Å; L193-H258 WeakPolarHBondContact CD2-O 3.25Å; L193-I259 HydrophobicContact CD2-CG1 4.47Å
194T81.1Confident86Confident101 Ų10133.9 Ų33.962%0.6218%0.179SC*.THydrogen-bonded Turntrans-64.9-3117951.30000113.2K80 S192K80-T194 WeakPolarHBondContact CE-O 3.39Å; K80-T194 PolarHBondContact NZ-O 3.12Å; S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact OG-OG1 3.43Å
195D87.4Confident86.4Confident52 Ų5228.6 Ų28.628%0.27816%0.159SC..THydrogen-bonded Turntrans-92.3-17.2175.2-65.5-45.5000112.7K160 K163 S192 L193 V197K160-D195 HydrophobicContact CD-CB 4.24Å; K160-D195 WeakPolarHBondContact CE-OD1 3.44Å; K160-D195 IonicContact NZ-OD1 3.69Å; K160-D195 PolarHBondContact NZ-OD1 3.41Å; K160-D195 IonicContact NZ-OD2 3.74Å; K160-D195 PolarHBondContact NZ-OD2 2.81Å; K160-D195 VanDerWaalsContact NZ-OD2 3.1Å; K163-D195 PolarHBondContact NZ-O 3.47Å; S192-D195 PolarHBondContact O-N 3.23Å; S192-D195 WeakPolarHBondContact OG-CB 3.49Å; S192-D195 PolarHBondContact OG-N 2.79Å; S192-D195 PolarHBondContact OG-OD2 2.82Å; L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.14Å; D195-V197 HydrophobicContact CB-CG1 4.39Å; D195-V197 HydrophobicContact CB-CG2 3.93Å
196G91.5Very high86.5Confident0 Ų024.1 Ų24.10%014%0.137CC..THydrogen-bonded Turntrans63.945.4-174.700000111.1C169 I170 S192 L193C169-G196 WeakPolarHBondContact CA-O 3.45Å; C169-G196 VanDerWaalsContact CB-O 3.3Å; C169-G196 WeakPolarHBondContact CB-O 3.35Å; I170-G196 PolarHBondContact N-O 3.27Å; S192-G196 WeakPolarHBondContact O-CA 3.25Å; S192-G196 PolarHBondContact O-N 3.28Å; L193-G196 PolarHBondContact O-N 3.12Å; L193-G196 VanDerWaalsContact O-N 3.17Å
197V93.9Very high86.2Confident1 Ų126.7 Ų26.71%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-126.8143.6176-58.30000110.1L156 L159 K160 K163 I170 A191 S192 D195L156-V197 HydrophobicContact CB-CG2 4.27Å; L156-V197 HydrophobicContact CD2-CB 4.39Å; L156-V197 HydrophobicContact CD2-CG2 3.99Å; L159-V197 HydrophobicContact CB-CB 4.33Å; L159-V197 HydrophobicContact CB-CG1 4.36Å; K160-V197 HydrophobicContact CB-CG1 4.23Å; K163-V197 HydrophobicContact CD-CG1 4.46Å; I170-V197 HydrophobicContact CG2-CB 4.34Å; I170-V197 HydrophobicContact CG2-CG1 3.61Å; I170-V197 VanDerWaalsContact O-CA 3.26Å; I170-V197 WeakPolarHBondContact O-CA 3.44Å; A191-V197 CarbonylContact C-O 3.53Å; A191-V197 VanDerWaalsContact CA-O 3.31Å; A191-V197 WeakPolarHBondContact CA-O 3.49Å; S192-V197 PolarHBondContact N-O 3.43Å; S192-V197 PolarHBondContact O-N 2.93Å; D195-V197 HydrophobicContact CB-CG1 4.39Å; D195-V197 HydrophobicContact CB-CG2 3.93Å
198G93Very high86.2Confident0 Ų026.9 Ų26.90%016%0.162CC..EExtended strand (participates in β ladder)trans-144.1156.8175.500000111.9L159 I170 V171 G172 Q190L159-G198 WeakPolarHBondContact CD1-O 3.37Å; I170-G198 PolarHBondContact O-N 3.03Å; I170-G198 VanDerWaalsContact O-N 3.1Å; V171-G198 CarbonylContact C-O 3.52Å; V171-G198 WeakPolarHBondContact CA-O 3.48Å; G172-G198 PolarHBondContact N-O 2.88Å; Q190-G198 CarbonylContact O-C 3.56Å; Q190-G198 WeakPolarHBondContact O-CA 3.36Å
199I94.3Very high86.1Confident0 Ų025.6 Ų25.60%016%0.156CC..EExtended strand (participates in β ladder)trans-136.6130.5171.217859.1000109I94 A152 I155 L156 L159 G172 T174 L178 G189 Q190I94-I199 HydrophobicContact CD1-CD1 3.91Å; A152-I199 HydrophobicContact CB-CG2 3.91Å; I155-I199 HydrophobicContact CB-CB 4.46Å; I155-I199 HydrophobicContact CB-CG1 4.23Å; I155-I199 HydrophobicContact CB-CG2 4.47Å; I155-I199 HydrophobicContact CG2-CB 3.91Å; I155-I199 HydrophobicContact CG2-CD1 3.8Å; I155-I199 HydrophobicContact CG2-CG1 3.67Å; I155-I199 HydrophobicContact CG2-CG2 4.44Å; L156-I199 HydrophobicContact CD2-CB 4.21Å; L156-I199 HydrophobicContact CD2-CG2 3.76Å; L156-I199 HydrophobicContact CG-CG2 3.98Å; L159-I199 HydrophobicContact CD1-CB 4.46Å; G172-I199 VanDerWaalsContact C-CD1 3.46Å; G172-I199 WeakPolarHBondContact O-CA 3.41Å; G172-I199 WeakPolarHBondContact O-CD1 3.49Å; T174-I199 HydrophobicContact CG2-CD1 4.19Å; L178-I199 HydrophobicContact CD1-CG1 3.94Å; L178-I199 HydrophobicContact CD1-CG2 4.41Å; L178-I199 HydrophobicContact CD2-CG1 3.98Å; G189-I199 CarbonylContact C-O 3.51Å; G189-I199 WeakPolarHBondContact CA-O 3.29Å; Q190-I199 HydrophobicContact CB-CG2 4.43Å; Q190-I199 PolarHBondContact N-O 3.18Å; Q190-I199 PolarHBondContact O-N 3.08Å
200F91.6Very high85.7Confident0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-128.3139.9-177-43.1-51.3000110.9V171 G172 I173 T174 F202 T251 L252 E255V171-F200 HydrophobicContact CB-CD2 4.34Å; V171-F200 HydrophobicContact CB-CE2 3.62Å; V171-F200 HydrophobicContact CB-CZ 4.34Å; V171-F200 HydrophobicContact CG1-CE2 3.62Å; V171-F200 HydrophobicContact CG1-CZ 3.96Å; V171-F200 HydrophobicContact CG2-CE2 4.38Å; G172-F200 PolarHBondContact O-N 3.22Å; I173-F200 WeakPolarHBondContact CA-O 3.49Å; I173-F200 HydrophobicContact CG2-CD2 4.4Å; T174-F200 PolarHBondContact N-O 3.48Å; F200-F202 HydrophobicContact CB-CE1 4.49Å; F200-T251 HydrophobicContact CB-CG2 4.31Å; F200-L252 HydrophobicContact CD2-CD1 4.08Å; F200-L252 HydrophobicContact CE2-CD1 4.19Å; F200-E255 HydrophobicContact CD1-CB 3.71Å; F200-E255 HydrophobicContact CD1-CG 3.48Å; F200-E255 VanDerWaalsContact CD1-CG 3.48Å; F200-E255 HydrophobicContact CD2-CB 4.44Å; F200-E255 HydrophobicContact CE1-CB 3.04Å; F200-E255 HydrophobicContact CE1-CG 3.31Å; F200-E255 HydrophobicContact CE2-CB 3.81Å; F200-E255 HydrophobicContact CG-CB 4.4Å; F200-E255 HydrophobicContact CG-CG 4.27Å; F200-E255 HydrophobicContact CZ-CB 3.09Å; F200-E255 HydrophobicContact CZ-CG 3.89Å
201S91.3Very high85.4Confident2 Ų230.3 Ų30.31%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-112.9134.4176.1178.80000111.4T174 I176 F188 A203T174-S201 WeakPolarHBondContact O-CA 3.4Å; I176-S201 VanDerWaalsContact C-OG 3.3Å; I176-S201 WeakPolarHBondContact O-CB 3.48Å; I176-S201 PolarHBondContact O-OG 2.96Å; F188-S201 PolarHBondContact O-N 3.33Å; S201-A203 VanDerWaalsContact OG-CB 3.31Å; S201-A203 WeakPolarHBondContact OG-CB 3.36Å; S201-A203 PolarHBondContact OG-N 3.15Å; S201-A203 VanDerWaalsContact OG-N 3.15Å
202F90.6Very high84.7Confident0 Ų037.3 Ų37.30%021%0.205CC..  trans-99.82.9172.6-48.9-44.3000112.4Y107 L111 I173 T174 M175 F200 R204 Y205 S248Y107-F202 HydrophobicContact CE1-CD2 4.01Å; Y107-F202 HydrophobicContact CE1-CE2 4.24Å; L111-F202 HydrophobicContact CD1-CE2 3.67Å; L111-F202 HydrophobicContact CD1-CZ 4.13Å; I173-F202 HydrophobicContact CB-CE2 3.92Å; I173-F202 HydrophobicContact CB-CZ 4.17Å; I173-F202 HydrophobicContact CD1-CE2 4.45Å; I173-F202 HydrophobicContact CG2-CE2 4.08Å; I173-F202 HydrophobicContact CG2-CZ 3.82Å; T174-F202 PolarHBondContact O-N 3.34Å; M175-F202 HydrophobicContact CE-CB 4.21Å; M175-F202 HydrophobicContact CE-CD2 4.26Å; M175-F202 HydrophobicContact SD-CB 3.68Å; M175-F202 HydrophobicContact SD-CD2 4.42Å; F200-F202 HydrophobicContact CB-CE1 4.49Å; F202-R204 PolarHBondContact O-N 3.16Å; F202-Y205 HydrophobicContact CB-CD2 4.16Å; F202-Y205 HydrophobicContact CD1-CD2 4.09Å; F202-Y205 HydrophobicContact CD1-CE2 4.09Å; F202-Y205 WeakPolarHBondContact O-CB 3.26Å; F202-Y205 PolarHBondContact O-N 3.37Å; F202-S248 VanDerWaalsContact CD1-OG 3.24Å; F202-S248 WeakPolarHBondContact CD1-OG 3.45Å; F202-S248 VanDerWaalsContact CG-OG 3.24Å; F202-S248 WeakPolarHBondContact CG-OG 3.41Å
203A86.2Confident84.3Confident2 Ų246.8 Ų46.82%0.01724%0.237CC..G310 helixtrans-52.9-43.5-175.500000112.3M175 D177 S201 Y205 F209M175-A203 VanDerWaalsContact O-CB 3.23Å; M175-A203 WeakPolarHBondContact O-CB 3.34Å; D177-A203 HydrophobicContact CB-CB 4.02Å; S201-A203 VanDerWaalsContact OG-CB 3.31Å; S201-A203 WeakPolarHBondContact OG-CB 3.36Å; S201-A203 PolarHBondContact OG-N 3.15Å; S201-A203 VanDerWaalsContact OG-N 3.15Å; A203-Y205 PolarHBondContact O-N 2.79Å; A203-F209 HydrophobicContact CB-CE2 4.22Å; A203-F209 WeakPolarHBondContact O-CD2 3.37Å
204R85.4Confident84.2Confident7 Ų744 Ų443%0.02622%0.221CC..G310 helixtrans-78.5-2.6-175.4-67.4-175.3173.5-97.7-4.7114.6D177 F186 F188 F202 F209 Y210D177-R204 VanDerWaalsContact CG-NE 3.33Å; D177-R204 IonicContact OD1-CZ 3.5Å; D177-R204 IonicContact OD1-NE 3.97Å; D177-R204 PolarHBondContact OD1-NE 2.96Å; D177-R204 IonicContact OD1-NH2 2.66Å; D177-R204 IonicContact OD2-CZ 3.3Å; D177-R204 IonicContact OD2-NE 3.98Å; D177-R204 PolarHBondContact OD2-NE 2.84Å; D177-R204 IonicContact OD2-NH2 3.62Å; D177-R204 PolarHBondContact OD2-NH2 3.42Å; F186-R204 VanDerWaalsContact CB-CZ 3.48Å; F186-R204 VanDerWaalsContact CD1-NH1 3.31Å; F186-R204 VanDerWaalsContact CG-NH2 3.34Å; F188-R204 HydrophobicContact CD1-CB 4.16Å; F188-R204 HydrophobicContact CE1-CB 3.57Å; F188-R204 HydrophobicContact CE1-CG 4.42Å; F188-R204 HydrophobicContact CZ-CB 4.47Å; F202-R204 PolarHBondContact O-N 3.16Å; R204-F209 HydrophobicContact CB-CE1 4.48Å; R204-F209 HydrophobicContact CG-CD1 4.21Å; R204-F209 HydrophobicContact CG-CD2 4.43Å; R204-F209 HydrophobicContact CG-CE1 3.71Å; R204-F209 HydrophobicContact CG-CE2 3.92Å; R204-F209 HydrophobicContact CG-CZ 3.54Å; R204-Y210 PolarHBondContact NH1-OH 3.25Å
205Y84.4Confident84.1Confident11 Ų1145.9 Ų45.94%0.04322%0.223CC..G310 helixtrans-95.9-8.3179.1-62.2-33.7000113.5F188 F202 A203 R247 T251 L278F188-Y205 AromaticContact CD1-CE1 3.62Å; F188-Y205 HydrophobicContact CD1-CE1 3.62Å; F188-Y205 AromaticContact CD1-CZ 3.59Å; F188-Y205 VanDerWaalsContact CD1-OH 3.27Å; F188-Y205 WeakPolarHBondContact CD1-OH 3.5Å; F188-Y205 HydrophobicContact CE1-CD1 4.12Å; F188-Y205 AromaticContact CE1-CE1 3.41Å; F188-Y205 HydrophobicContact CE1-CE1 3.41Å; F188-Y205 VanDerWaalsContact CE1-CE1 3.41Å; F188-Y205 AromaticContact CE1-CZ 3.91Å; F188-Y205 HydrophobicContact CZ-CE1 4.28Å; F202-Y205 HydrophobicContact CB-CD2 4.16Å; F202-Y205 HydrophobicContact CD1-CD2 4.09Å; F202-Y205 HydrophobicContact CD1-CE2 4.09Å; F202-Y205 WeakPolarHBondContact O-CB 3.26Å; F202-Y205 PolarHBondContact O-N 3.37Å; A203-Y205 PolarHBondContact O-N 2.79Å; Y205-R247 HydrophobicContact CD1-CB 4.04Å; Y205-R247 HydrophobicContact CD1-CG 4.3Å; Y205-R247 HydrophobicContact CD2-CB 3.69Å; Y205-R247 HydrophobicContact CE1-CB 4.41Å; Y205-R247 HydrophobicContact CE2-CB 4.12Å; Y205-R247 HydrophobicContact CG-CB 3.68Å; Y205-R247 HydrophobicContact CG-CG 4.32Å; Y205-R247 PolarHBondContact O-NH1 2.94Å; Y205-T251 HydrophobicContact CE2-CG2 4.45Å; Y205-T251 WeakPolarHBondContact CE2-OG1 3.4Å; Y205-T251 VanDerWaalsContact CZ-OG1 3.3Å; Y205-T251 PolarHBondContact OH-OG1 3.27Å; Y205-L278 HydrophobicContact CD1-CD1 3.52Å; Y205-L278 HydrophobicContact CE1-CD1 3.6Å
206G79.6Confident83.7Confident6 Ų644.1 Ų44.16%0.06222%0.217CC..SBendtrans-58.6134.2168.900000110.8D208 F209G206-D208 PolarHBondContact O-N 3.2Å; G206-D208 VanDerWaalsContact O-N 3.15Å; G206-F209 WeakPolarHBondContact O-CB 3.48Å; G206-F209 PolarHBondContact O-N 3.13Å; G206-F209 VanDerWaalsContact O-N 3.16Å
207S76.3Confident83.3Confident112 Ų11247.5 Ų47.578%0.78323%0.232SC*.THydrogen-bonded Turntrans-60.4-24.3-178.151.30000113
208D79.4Confident82.7Confident31 Ų3148.8 Ų48.817%0.16624%0.24CC..THydrogen-bonded Turntrans-98.7-2.2-177.472-34.2000113.7G206 Y210 S211 Y214 Y236G206-D208 PolarHBondContact O-N 3.2Å; G206-D208 VanDerWaalsContact O-N 3.15Å; D208-Y210 VanDerWaalsContact C-N 3.3Å; D208-Y210 PolarHBondContact O-N 3.02Å; D208-S211 WeakPolarHBondContact O-CA 3.48Å; D208-S211 WeakPolarHBondContact O-CB 3.39Å; D208-S211 PolarHBondContact O-N 3.21Å; D208-Y214 HydrophobicContact CB-CD2 4.38Å; D208-Y214 WeakPolarHBondContact O-CB 3.42Å; D208-Y214 VanDerWaalsContact O-CD2 3.31Å; D208-Y214 WeakPolarHBondContact O-CD2 3.35Å; D208-Y214 VanDerWaalsContact OD2-CD2 3.26Å; D208-Y214 WeakPolarHBondContact OD2-CD2 3.47Å; D208-Y236 WeakPolarHBondContact OD2-CE1 3.29Å; D208-Y236 VanDerWaalsContact OD2-CZ 3.3Å; D208-Y236 PolarHBondContact OD2-OH 3.09Å
209F79.9Confident81.7Confident6 Ų658 Ų583%0.02628%0.28CS..THydrogen-bonded Turntrans-55.8-41.1-171.5-173.8-88.7000113.8T145 N147 A203 R204 G206 Y214T145-F209 HydrophobicContact CG2-CE1 4.37Å; N147-F209 WeakPolarHBondContact ND2-CE2 3.47Å; N147-F209 WeakPolarHBondContact ND2-CZ 3.42Å; A203-F209 HydrophobicContact CB-CE2 4.22Å; A203-F209 WeakPolarHBondContact O-CD2 3.37Å; R204-F209 HydrophobicContact CB-CE1 4.48Å; R204-F209 HydrophobicContact CG-CD1 4.21Å; R204-F209 HydrophobicContact CG-CD2 4.43Å; R204-F209 HydrophobicContact CG-CE1 3.71Å; R204-F209 HydrophobicContact CG-CE2 3.92Å; R204-F209 HydrophobicContact CG-CZ 3.54Å; G206-F209 WeakPolarHBondContact O-CB 3.48Å; G206-F209 PolarHBondContact O-N 3.13Å; G206-F209 VanDerWaalsContact O-N 3.16Å; F209-Y214 VanDerWaalsContact CA-CD2 3.49Å; F209-Y214 HydrophobicContact CB-CE2 4.35Å; F209-Y214 HydrophobicContact CD2-CE1 4.21Å; F209-Y214 HydrophobicContact CD2-CE2 4.12Å; F209-Y214 AromaticContact CD2-CZ 3.74Å; F209-Y214 HydrophobicContact CE2-CE1 4.44Å
210Y77.1Confident80.2Confident130 Ų13067.1 Ų67.151%0.5132%0.319SS..THydrogen-bonded Turntrans-92.85.5178.4-60.4-74.6000113.1R204 D208 L278R204-Y210 PolarHBondContact NH1-OH 3.25Å; D208-Y210 VanDerWaalsContact C-N 3.3Å; D208-Y210 PolarHBondContact O-N 3.02Å; Y210-L278 HydrophobicContact CE2-CD2 4.37Å
211S78.4Confident78.7Confident46 Ų4672.2 Ų72.232%0.32235%0.346SS..SBendtrans-71.6145.8178.1-179.90000111.5D208 R213 Y214 K217D208-S211 WeakPolarHBondContact O-CA 3.48Å; D208-S211 WeakPolarHBondContact O-CB 3.39Å; D208-S211 PolarHBondContact O-N 3.21Å; S211-R213 PolarHBondContact O-N 3.27Å; S211-R213 PolarHBondContact OG-N 3.21Å; S211-Y214 WeakPolarHBondContact O-CB 3.21Å; S211-Y214 PolarHBondContact O-N 2.86Å; S211-Y214 VanDerWaalsContact O-N 3.16Å; S211-K217 PolarHBondContact O-NZ 3.43Å
212M70.2Confident77Confident175 Ų17580.5 Ų80.586%0.86238%0.382SS*.THydrogen-bonded Turntrans-55.4-32.9165.8-78.4177.143.700111.8K217M212-K217 PolarHBondContact O-NZ 2.8Å
213R76.5Confident75Confident225 Ų22590.8 Ų90.885%0.84943%0.426SS*.THydrogen-bonded Turntrans-89.38.8-177.9-58.9-176.2-178.5178.20.6114.2S211 E215S211-R213 PolarHBondContact O-N 3.27Å; S211-R213 PolarHBondContact OG-N 3.21Å; R213-E215 PolarHBondContact O-N 3.36Å; R213-E215 VanDerWaalsContact O-N 3.12Å
214Y80.3Confident73.5Confident17 Ų1793.5 Ų93.57%0.06744%0.443CS..  trans-53.8119.2178.5-175-118.7000111.1N147 D208 F209 S211 G216 K217 Y236N147-Y214 VanDerWaalsContact CG-CE1 3.43Å; N147-Y214 WeakPolarHBondContact ND2-CE1 3.1Å; N147-Y214 VanDerWaalsContact OD1-CD1 3.3Å; N147-Y214 WeakPolarHBondContact OD1-CD1 3.22Å; N147-Y214 VanDerWaalsContact OD1-CE1 3.23Å; N147-Y214 WeakPolarHBondContact OD1-CE1 3.3Å; D208-Y214 HydrophobicContact CB-CD2 4.38Å; D208-Y214 WeakPolarHBondContact O-CB 3.42Å; D208-Y214 VanDerWaalsContact O-CD2 3.31Å; D208-Y214 WeakPolarHBondContact O-CD2 3.35Å; D208-Y214 VanDerWaalsContact OD2-CD2 3.26Å; D208-Y214 WeakPolarHBondContact OD2-CD2 3.47Å; F209-Y214 VanDerWaalsContact CA-CD2 3.49Å; F209-Y214 HydrophobicContact CB-CE2 4.35Å; F209-Y214 HydrophobicContact CD2-CE1 4.21Å; F209-Y214 HydrophobicContact CD2-CE2 4.12Å; F209-Y214 AromaticContact CD2-CZ 3.74Å; F209-Y214 HydrophobicContact CE2-CE1 4.44Å; S211-Y214 WeakPolarHBondContact O-CB 3.21Å; S211-Y214 PolarHBondContact O-N 2.86Å; S211-Y214 VanDerWaalsContact O-N 3.16Å; Y214-G216 VanDerWaalsContact C-N 3.29Å; Y214-G216 PolarHBondContact O-N 3.29Å; Y214-K217 HydrophobicContact CD1-CG 4.02Å; Y214-Y236 HydrophobicContact CD2-CD1 4.36Å; Y214-Y236 HydrophobicContact CD2-CE1 4.14Å; Y214-Y236 AromaticContact CE2-CD1 3.5Å; Y214-Y236 HydrophobicContact CE2-CD1 3.5Å; Y214-Y236 VanDerWaalsContact CE2-CD1 3.5Å; Y214-Y236 AromaticContact CE2-CE1 3.44Å; Y214-Y236 HydrophobicContact CE2-CE1 3.44Å; Y214-Y236 VanDerWaalsContact CE2-CE1 3.44Å; Y214-Y236 AromaticContact CZ-CD1 3.65Å
215E79.8Confident72.5Confident141 Ų14196.4 Ų96.466%0.65946%0.464SS*.THydrogen-bonded Turntrans-76.9-18.8-173.7-66.8-172.7172.100112.7R213 K217 Y236R213-E215 PolarHBondContact O-N 3.36Å; R213-E215 VanDerWaalsContact O-N 3.12Å; E215-K217 PolarHBondContact O-N 2.91Å; E215-Y236 HydrophobicContact CB-CD2 3.57Å; E215-Y236 HydrophobicContact CB-CE2 3.73Å; E215-Y236 HydrophobicContact CB-CG 4.25Å; E215-Y236 HydrophobicContact CG-CE2 4.39Å
216G78.6Confident71.5Confident14 Ų14101.2 Ų101.214%0.14450%0.5CS..THydrogen-bonded Turntrans-73.7-0.4178.200000116Y214 V218Y214-G216 VanDerWaalsContact C-N 3.29Å; Y214-G216 PolarHBondContact O-N 3.29Å; G216-V218 PolarHBondContact O-N 3.21Å
217K81.8Confident71.1Confident72 Ų72105 Ų10531%0.31353%0.525SS..SBendtrans-67.6128.6175.5-66.3-179.3-179.7163.30110.9Q146 S211 M212 Y214 E215 K219Q146-K217 HydrophobicContact CB-CB 4.32Å; Q146-K217 HydrophobicContact CB-CG 4.41Å; S211-K217 PolarHBondContact O-NZ 3.43Å; M212-K217 PolarHBondContact O-NZ 2.8Å; Y214-K217 HydrophobicContact CD1-CG 4.02Å; E215-K217 PolarHBondContact O-N 2.91Å; K217-K219 PolarHBondContact O-N 3.46Å; K217-K219 VanDerWaalsContact O-N 3.09Å
218V81.3Confident71.5Confident28 Ų28101.9 Ų101.917%0.1750%0.499CS..  trans-74.2102.5176.7-175.30000109.4V141 Q146 L148 G216 K220 L221V141-V218 HydrophobicContact CG1-CB 4.41Å; V141-V218 HydrophobicContact CG2-CB 4.22Å; V141-V218 HydrophobicContact CG2-CG1 4.39Å; V141-V218 HydrophobicContact CG2-CG2 3.98Å; Q146-V218 PolarHBondContact O-N 3.08Å; L148-V218 HydrophobicContact CD1-CG2 4.38Å; L148-V218 HydrophobicContact CD2-CG2 3.99Å; L148-V218 HydrophobicContact CG-CG2 3.71Å; G216-V218 PolarHBondContact O-N 3.21Å; V218-K220 PolarHBondContact O-N 2.95Å; V218-L221 HydrophobicContact CG1-CD1 3.99Å
219K73.3Confident71.9Confident193 Ų193102.2 Ų102.284%0.83950%0.499SS*.  trans-70.4-29.7-172-65179.7-178173.30114.7K217K217-K219 PolarHBondContact O-N 3.46Å; K217-K219 VanDerWaalsContact O-N 3.09Å
220K62.9Low72.2Confident192 Ų192104.9 Ų104.984%0.83552%0.518SS*.  trans-152.6115.8175.1-77.6-173.6177.71760109.9V218 K222V218-K220 PolarHBondContact O-N 2.95Å; K220-K222 PolarHBondContact O-N 2.76Å
221L59.2Low72.6Confident106 Ų106100.7 Ų100.756%0.55550%0.504SS*.  trans-70.6109.8161.2-124.790.3000107.4V141 V218 K223 I231V141-L221 HydrophobicContact CB-CD1 4.1Å; V141-L221 HydrophobicContact CG2-CD1 3.31Å; V218-L221 HydrophobicContact CG1-CD1 3.99Å; L221-K223 PolarHBondContact O-N 3.4Å; L221-I231 HydrophobicContact CD1-CD1 4.48Å
222K55.4Low73Confident177 Ų17799.2 Ų99.277%0.7749%0.492SS*.  trans-64.2130.2149.4-77.6-178.5176.1179.10104.5K220 T224K220-K222 PolarHBondContact O-N 2.76Å; K222-T224 HydrophobicContact CB-CG2 4.29Å; K222-T224 PolarHBondContact O-N 3.47Å; K222-T224 PolarHBondContact O-OG1 2.74Å
223K49.9Very low73.6Confident216 Ų21696.6 Ų96.694%0.93948%0.481SS*.  trans-57.687171.3-90.5-176.6173.4178.90107.8L221L221-K223 PolarHBondContact O-N 3.4Å
224T53.7Low73.8Confident58 Ų5893.4 Ų93.436%0.35648%0.481SS..  trans-99.6145.7172.542.10000107K222 D228K222-T224 HydrophobicContact CB-CG2 4.29Å; K222-T224 PolarHBondContact O-N 3.47Å; K222-T224 PolarHBondContact O-OG1 2.74Å; T224-D228 VanDerWaalsContact CB-OD2 3.29Å; T224-D228 WeakPolarHBondContact CB-OD2 3.23Å; T224-D228 HydrophobicContact CG2-CB 4.46Å; T224-D228 WeakPolarHBondContact CG2-OD2 3.47Å
225S63.9Low74Confident68 Ų6894.1 Ų94.148%0.47648%0.484SS..  trans-53.7154.8-179.7800000110.3S227 D228S225-S227 PolarHBondContact O-N 2.86Å; S225-S227 PolarHBondContact OG-N 3.34Å; S225-S227 PolarHBondContact OG-OG 3.42Å; S225-D228 PolarHBondContact O-N 2.97Å; S225-D228 PolarHBondContact OG-N 2.91Å
226S64.9Low74.3Confident113 Ų11390.2 Ų90.279%0.7946%0.463SS*.THydrogen-bonded Turntrans-57.7-3.7171.653.50000114.4
227S70Confident74.6Confident85 Ų8590.4 Ų90.459%0.59446%0.461SS*.THydrogen-bonded Turntrans-108.73.6177.463.60000114.7S225 Y229S225-S227 PolarHBondContact O-N 2.86Å; S225-S227 PolarHBondContact OG-N 3.34Å; S225-S227 PolarHBondContact OG-OG 3.42Å; S227-Y229 VanDerWaalsContact O-CD2 3.29Å; S227-Y229 WeakPolarHBondContact O-CD2 3.46Å; S227-Y229 PolarHBondContact O-N 3.42Å
228D84.4Confident74.8Confident46 Ų4687.2 Ų87.225%0.24645%0.448CS..  trans-90.497.8178.4-175.44.4000111.9F139 T224 S225 S230F139-D228 WeakPolarHBondContact CZ-O 3.46Å; T224-D228 VanDerWaalsContact CB-OD2 3.29Å; T224-D228 WeakPolarHBondContact CB-OD2 3.23Å; T224-D228 HydrophobicContact CG2-CB 4.46Å; T224-D228 WeakPolarHBondContact CG2-OD2 3.47Å; S225-D228 PolarHBondContact O-N 2.97Å; S225-D228 PolarHBondContact OG-N 2.91Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 VanDerWaalsContact CG-OG 3.23Å; D228-S230 PolarHBondContact O-N 3.04Å; D228-S230 WeakPolarHBondContact OD1-CB 3.45Å; D228-S230 PolarHBondContact OD1-N 3.08Å; D228-S230 PolarHBondContact OD1-OG 3.07Å; D228-S230 PolarHBondContact OD2-OG 3.02Å
229Y87.9Confident75.1Confident38 Ų3893.2 Ų93.215%0.14947%0.474CS..G310 helixtrans-83.52.3178.9-69.3-95.7000113.7V132 S133 R136 C137 F139 S227 I231 F232V132-Y229 HydrophobicContact CB-CD1 4.35Å; V132-Y229 HydrophobicContact CG1-CD1 3.97Å; V132-Y229 HydrophobicContact CG1-CE1 4.1Å; S133-Y229 VanDerWaalsContact CA-CD1 3.48Å; R136-Y229 VanDerWaalsContact CA-OH 3.23Å; R136-Y229 WeakPolarHBondContact CA-OH 3.46Å; C137-Y229 PolarHBondContact N-OH 3.2Å; C137-Y229 PolarHBondContact O-OH 3.34Å; F139-Y229 HydrophobicContact CD1-CD1 4.33Å; F139-Y229 AromaticContact CD1-CE1 3.91Å; F139-Y229 HydrophobicContact CD1-CE1 3.91Å; F139-Y229 HydrophobicContact CE1-CD1 4.14Å; F139-Y229 AromaticContact CE1-CE1 3.97Å; F139-Y229 HydrophobicContact CE1-CE1 3.97Å; F139-Y229 HydrophobicContact CE1-CE2 4.39Å; F139-Y229 HydrophobicContact CE1-CG 4.45Å; S227-Y229 VanDerWaalsContact O-CD2 3.29Å; S227-Y229 WeakPolarHBondContact O-CD2 3.46Å; S227-Y229 PolarHBondContact O-N 3.42Å; Y229-I231 PolarHBondContact O-N 2.66Å; Y229-I231 VanDerWaalsContact O-N 3.09Å; Y229-F232 AromaticContact CD1-CD2 3.79Å; Y229-F232 HydrophobicContact CD1-CD2 3.79Å; Y229-F232 AromaticContact CD1-CE2 3.79Å; Y229-F232 HydrophobicContact CD1-CE2 3.79Å; Y229-F232 HydrophobicContact CE1-CE2 4.39Å; Y229-F232 HydrophobicContact CG-CD2 4.43Å; Y229-F232 WeakPolarHBondContact O-CB 3.39Å; Y229-F232 PolarHBondContact O-N 3.24Å
230S87.1Confident75.9Confident62 Ų6285.1 Ų85.143%0.43444%0.44SS..G310 helixtrans-60.3-21.3177.567.60000112.8D228 F232 N233D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 VanDerWaalsContact CG-OG 3.23Å; D228-S230 PolarHBondContact O-N 3.04Å; D228-S230 WeakPolarHBondContact OD1-CB 3.45Å; D228-S230 PolarHBondContact OD1-N 3.08Å; D228-S230 PolarHBondContact OD1-OG 3.07Å; D228-S230 PolarHBondContact OD2-OG 3.02Å; S230-F232 PolarHBondContact O-N 2.94Å; S230-F232 VanDerWaalsContact O-N 3.15Å; S230-N233 WeakPolarHBondContact O-CB 3.42Å; S230-N233 PolarHBondContact O-N 2.93Å
231I84.9Confident77.3Confident42 Ų4278.2 Ų78.222%0.21541%0.413CS..G310 helixtrans-59.3-20.7172.4-160.1161.7000113.2F139 L148 L221 Y229F139-I231 HydrophobicContact CD2-CG2 4.44Å; F139-I231 HydrophobicContact CE2-CG2 3.88Å; F139-I231 HydrophobicContact CZ-CG2 4.26Å; L148-I231 HydrophobicContact CD1-CG1 4.05Å; L148-I231 HydrophobicContact CD2-CD1 3.62Å; L148-I231 HydrophobicContact CD2-CG1 3.88Å; L148-I231 HydrophobicContact CD2-CG2 4.36Å; L221-I231 HydrophobicContact CD1-CD1 4.48Å; Y229-I231 PolarHBondContact O-N 2.66Å; Y229-I231 VanDerWaalsContact O-N 3.09Å
232F87.4Confident79Confident16 Ų1674 Ų747%0.0739%0.393CS..G310 helixtrans-93.82.9176.8-61.9-73000114.1V132 F139 L148 I150 I176 Y229 S230 N234 Y235V132-F232 HydrophobicContact CB-CB 4.31Å; V132-F232 HydrophobicContact CB-CD1 4.45Å; V132-F232 HydrophobicContact CB-CD2 4.01Å; V132-F232 HydrophobicContact CB-CE2 4.46Å; V132-F232 HydrophobicContact CB-CG 4Å; V132-F232 HydrophobicContact CG1-CD1 4.35Å; V132-F232 HydrophobicContact CG1-CD2 3.84Å; V132-F232 HydrophobicContact CG1-CE1 4.3Å; V132-F232 HydrophobicContact CG1-CE2 3.79Å; V132-F232 HydrophobicContact CG1-CG 4.13Å; V132-F232 HydrophobicContact CG1-CZ 4.02Å; V132-F232 HydrophobicContact CG2-CB 4.12Å; V132-F232 HydrophobicContact CG2-CD1 4.04Å; V132-F232 HydrophobicContact CG2-CD2 4.45Å; V132-F232 HydrophobicContact CG2-CG 3.95Å; F139-F232 HydrophobicContact CB-CE2 4.22Å; F139-F232 HydrophobicContact CB-CZ 3.76Å; F139-F232 AromaticContact CD1-CE2 3.8Å; F139-F232 HydrophobicContact CD1-CE2 3.8Å; F139-F232 HydrophobicContact CD1-CZ 4.22Å; F139-F232 HydrophobicContact CD2-CE2 4.05Å; F139-F232 HydrophobicContact CD2-CZ 4.01Å; F139-F232 HydrophobicContact CE1-CE2 4.13Å; F139-F232 HydrophobicContact CE2-CE2 4.37Å; F139-F232 AromaticContact CG-CE2 3.76Å; F139-F232 HydrophobicContact CG-CE2 3.76Å; F139-F232 AromaticContact CG-CZ 3.74Å; F139-F232 HydrophobicContact CG-CZ 3.74Å; F139-F232 HydrophobicContact CZ-CE2 4.41Å; L148-F232 HydrophobicContact CB-CE1 4.24Å; L148-F232 HydrophobicContact CD1-CD1 4.17Å; L148-F232 HydrophobicContact CD1-CE1 4.06Å; I150-F232 HydrophobicContact CG2-CE1 3.82Å; I150-F232 HydrophobicContact CG2-CZ 3.61Å; I176-F232 HydrophobicContact CD1-CD1 3.72Å; I176-F232 HydrophobicContact CD1-CE1 3.96Å; I176-F232 HydrophobicContact CG2-CE1 4.13Å; Y229-F232 AromaticContact CD1-CD2 3.79Å; Y229-F232 HydrophobicContact CD1-CD2 3.79Å; Y229-F232 AromaticContact CD1-CE2 3.79Å; Y229-F232 HydrophobicContact CD1-CE2 3.79Å; Y229-F232 HydrophobicContact CE1-CE2 4.39Å; Y229-F232 HydrophobicContact CG-CD2 4.43Å; Y229-F232 WeakPolarHBondContact O-CB 3.39Å; Y229-F232 PolarHBondContact O-N 3.24Å; S230-F232 PolarHBondContact O-N 2.94Å; S230-F232 VanDerWaalsContact O-N 3.15Å; F232-N234 VanDerWaalsContact C-N 3.27Å; F232-N234 PolarHBondContact O-N 2.91Å; F232-Y235 HydrophobicContact CB-CD1 4.15Å; F232-Y235 HydrophobicContact CB-CE1 4.48Å; F232-Y235 HydrophobicContact CD1-CD1 4.19Å; F232-Y235 VanDerWaalsContact O-CD1 3.22Å; F232-Y235 WeakPolarHBondContact O-CD1 3.15Å
233N82.6Confident80.9Confident120 Ų12068.5 Ų68.564%0.64237%0.374SS*.THydrogen-bonded Turntrans-66.9-29.9-178.5-71.9-11000112.6S230S230-N233 WeakPolarHBondContact O-CB 3.42Å; S230-N233 PolarHBondContact O-N 2.93Å
234N80.1Confident83Confident157 Ų15758.3 Ų58.384%0.8433%0.33SS*.THydrogen-bonded Turntrans-144.847.8-175.7-64.4-49.4000111.6F232F232-N234 VanDerWaalsContact C-N 3.27Å; F232-N234 PolarHBondContact O-N 2.91Å
235Y85.4Confident84.9Confident33 Ų3355.5 Ų55.513%0.12931%0.313CS..  trans-71.2150.5173.564.1-92.4000110.6G95 S96 M175 I176 F232 I237G95-Y235 VanDerWaalsContact C-OH 3.23Å; G95-Y235 VanDerWaalsContact CA-OH 3.3Å; G95-Y235 WeakPolarHBondContact CA-OH 3.39Å; S96-Y235 WeakPolarHBondContact CA-OH 3.28Å; S96-Y235 PolarHBondContact N-OH 3.31Å; S96-Y235 PolarHBondContact O-OH 3.21Å; M175-Y235 HydrophobicContact CB-CE2 4.15Å; I176-Y235 HydrophobicContact CD1-CD1 4.18Å; I176-Y235 HydrophobicContact CD1-CE1 3.72Å; I176-Y235 HydrophobicContact CD1-CE2 4.21Å; I176-Y235 HydrophobicContact CG1-CD1 4.27Å; I176-Y235 HydrophobicContact CG1-CD2 3.88Å; I176-Y235 HydrophobicContact CG1-CE1 3.99Å; I176-Y235 HydrophobicContact CG1-CE2 3.58Å; I176-Y235 HydrophobicContact CG1-CG 4.22Å; F232-Y235 HydrophobicContact CB-CD1 4.15Å; F232-Y235 HydrophobicContact CB-CE1 4.48Å; F232-Y235 HydrophobicContact CD1-CD1 4.19Å; F232-Y235 VanDerWaalsContact O-CD1 3.22Å; F232-Y235 WeakPolarHBondContact O-CD1 3.15Å; Y235-I237 HydrophobicContact CD2-CD1 4.49Å; Y235-I237 HydrophobicContact CD2-CG1 3.94Å; Y235-I237 HydrophobicContact CE2-CD1 3.86Å; Y235-I237 HydrophobicContact CE2-CG1 3.6Å
236Y85.3Confident86.5Confident58 Ų5853.6 Ų53.623%0.22730%0.297CS..  trans-66.7137.1-179.4177.7-97.2000111.6D208 Y214 E215 P238D208-Y236 WeakPolarHBondContact OD2-CE1 3.29Å; D208-Y236 VanDerWaalsContact OD2-CZ 3.3Å; D208-Y236 PolarHBondContact OD2-OH 3.09Å; Y214-Y236 HydrophobicContact CD2-CD1 4.36Å; Y214-Y236 HydrophobicContact CD2-CE1 4.14Å; Y214-Y236 AromaticContact CE2-CD1 3.5Å; Y214-Y236 HydrophobicContact CE2-CD1 3.5Å; Y214-Y236 VanDerWaalsContact CE2-CD1 3.5Å; Y214-Y236 AromaticContact CE2-CE1 3.44Å; Y214-Y236 HydrophobicContact CE2-CE1 3.44Å; Y214-Y236 VanDerWaalsContact CE2-CE1 3.44Å; Y214-Y236 AromaticContact CZ-CD1 3.65Å; E215-Y236 HydrophobicContact CB-CD2 3.57Å; E215-Y236 HydrophobicContact CB-CE2 3.73Å; E215-Y236 HydrophobicContact CB-CG 4.25Å; E215-Y236 HydrophobicContact CG-CE2 4.39Å; Y236-P238 HydrophobicContact CE1-CB 4.08Å
237I85.3Confident87.9Confident19 Ų1949.8 Ų49.810%0.09727%0.265CS..  trans-125.8124.3174.4-64.1168.8000107.1S96 L97 G98 M175 Y235S96-I237 WeakPolarHBondContact O-CD1 3.45Å; L97-I237 WeakPolarHBondContact O-CG2 3.27Å; G98-I237 WeakPolarHBondContact O-CD1 3.3Å; M175-I237 HydrophobicContact CB-CG1 4.16Å; M175-I237 HydrophobicContact CB-CG2 4.4Å; M175-I237 HydrophobicContact CG-CG2 3.98Å; Y235-I237 HydrophobicContact CD2-CD1 4.49Å; Y235-I237 HydrophobicContact CD2-CG1 3.94Å; Y235-I237 HydrophobicContact CE2-CD1 3.86Å; Y235-I237 HydrophobicContact CE2-CG1 3.6Å
238P85.4Confident89.1Confident5 Ų545.8 Ų45.83%0.03224%0.237CC..  trans-66.2157.5179.529-35.2000111.3Y236 L244Y236-P238 HydrophobicContact CE1-CB 4.08Å; P238-L244 HydrophobicContact CG-CD2 4.26Å
239E87.6Confident89.6Confident154 Ų15443.6 Ų43.672%0.7223%0.225SC*.  trans-58.9137.9172.1-175-178.5-17800111.3T241E239-T241 HydrophobicContact CG-CG2 4.49Å; E239-T241 PolarHBondContact O-N 3.39Å
240I90.4Very high90Very high23 Ų2342.5 Ų42.512%0.11822%0.222CC..  trans-79.591.8178.5-49.8-56.7000110.2I103 Y107 W110 M175 L244I103-I240 HydrophobicContact CG2-CG1 3.65Å; Y107-I240 HydrophobicContact CD1-CD1 4.25Å; Y107-I240 HydrophobicContact CD2-CD1 4.3Å; Y107-I240 HydrophobicContact CD2-CG1 4.44Å; Y107-I240 HydrophobicContact CD2-CG2 3.42Å; Y107-I240 VanDerWaalsContact CD2-CG2 3.42Å; Y107-I240 HydrophobicContact CE1-CD1 4.36Å; Y107-I240 HydrophobicContact CE2-CD1 4.38Å; Y107-I240 HydrophobicContact CE2-CG2 3.63Å; Y107-I240 HydrophobicContact CG-CD1 4.21Å; Y107-I240 HydrophobicContact CG-CG1 4.46Å; Y107-I240 HydrophobicContact CG-CG2 4.22Å; W110-I240 HydrophobicContact CZ3-CG2 3.94Å; M175-I240 HydrophobicContact CE-CD1 3.65Å; I240-L244 HydrophobicContact CD1-CD2 3.58Å
241T93.2Very high90.2Very high46 Ų4640.1 Ų40.128%0.28220%0.204SC..  trans-91.8165.9174.564.90000112E239 V243 L244 L245E239-T241 HydrophobicContact CG-CG2 4.49Å; E239-T241 PolarHBondContact O-N 3.39Å; T241-V243 VanDerWaalsContact C-N 3.25Å; T241-V243 PolarHBondContact O-N 3.31Å; T241-L244 PolarHBondContact O-N 3Å; T241-L244 VanDerWaalsContact O-N 3.16Å; T241-L244 PolarHBondContact OG1-N 3.16Å; T241-L244 VanDerWaalsContact OG1-N 3.15Å; T241-L245 PolarHBondContact O-N 3.45Å
242S94.9Very high90.6Very high17 Ų1738.1 Ų38.112%0.11919%0.194CC..Hα-helixtrans-62.8-32.3174.547.60000113.3L245 L246 P340 E342S242-L245 PolarHBondContact O-N 3.41Å; S242-L246 VanDerWaalsContact O-CB 3.31Å; S242-L246 WeakPolarHBondContact O-CB 3.42Å; S242-L246 PolarHBondContact O-N 3.31Å; S242-P340 VanDerWaalsContact CA-O 3.25Å; S242-P340 WeakPolarHBondContact CA-O 3.07Å; S242-P340 VanDerWaalsContact CB-C 3.46Å; S242-P340 WeakPolarHBondContact CB-O 3.45Å; S242-E342 WeakPolarHBondContact CB-OE2 3.11Å; S242-E342 PolarHBondContact OG-OE2 3.46Å
243V94.2Very high91Very high63 Ų6337.4 Ų37.438%0.38219%0.191SC..Hα-helixtrans-67.4-42.1173.8178.20000111.1T241 L246 R247 A343T241-V243 VanDerWaalsContact C-N 3.25Å; T241-V243 PolarHBondContact O-N 3.31Å; V243-L246 PolarHBondContact O-N 3.25Å; V243-R247 HydrophobicContact CG1-CG 4.49Å; V243-R247 WeakPolarHBondContact O-CB 3.34Å; V243-R247 WeakPolarHBondContact O-CG 3.42Å; V243-R247 PolarHBondContact O-N 3.25Å; V243-A343 HydrophobicContact CG2-CB 4.18Å
244L93.4Very high91.6Very high1 Ų132.7 Ų32.71%0.00517%0.165CC..Hα-helixtrans-62-45.7175.5-177.566000111.1M175 P238 I240 T241 R247 S248M175-L244 HydrophobicContact CE-CD2 4.05Å; P238-L244 HydrophobicContact CG-CD2 4.26Å; I240-L244 HydrophobicContact CD1-CD2 3.58Å; T241-L244 PolarHBondContact O-N 3Å; T241-L244 VanDerWaalsContact O-N 3.16Å; T241-L244 PolarHBondContact OG1-N 3.16Å; T241-L244 VanDerWaalsContact OG1-N 3.15Å; L244-R247 PolarHBondContact O-N 3.24Å; L244-S248 VanDerWaalsContact O-CB 3.29Å; L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 2.87Å; L244-S248 PolarHBondContact O-OG 2.95Å
245L95.4Very high92.1Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-61.3-44.8177-179.759.5000111.1Y107 W110 L111 T241 S242 S248 C249 W314 K339 P340 F344Y107-L245 HydrophobicContact CD2-CD1 4.14Å; Y107-L245 HydrophobicContact CE2-CB 4.33Å; Y107-L245 HydrophobicContact CE2-CD1 3.67Å; W110-L245 HydrophobicContact CB-CD1 4.14Å; W110-L245 HydrophobicContact CB-CD2 4.44Å; W110-L245 HydrophobicContact CE3-CD2 4.1Å; L111-L245 HydrophobicContact CD2-CD1 4.06Å; L111-L245 HydrophobicContact CG-CD1 4.46Å; T241-L245 PolarHBondContact O-N 3.45Å; S242-L245 PolarHBondContact O-N 3.41Å; L245-S248 PolarHBondContact O-N 2.93Å; L245-C249 WeakPolarHBondContact O-CB 3.17Å; L245-C249 PolarHBondContact O-N 2.83Å; L245-C249 PolarHBondContact O-SG 2.95Å; L245-C249 VanDerWaalsContact O-SG 3.36Å; L245-W314 HydrophobicContact CD2-CH2 4.18Å; L245-W314 HydrophobicContact CD2-CZ2 4.48Å; L245-W314 HydrophobicContact CG-CH2 4.48Å; L245-K339 HydrophobicContact CD2-CG 4.08Å; L245-P340 HydrophobicContact CD2-CG 4.27Å; L245-F344 HydrophobicContact CB-CE2 4.33Å; L245-F344 HydrophobicContact CD2-CE2 4.19Å; L245-F344 HydrophobicContact CD2-CZ 4.48Å; L245-F344 HydrophobicContact CG-CE2 4.03Å; L245-F344 HydrophobicContact CG-CZ 4.03Å
246L96.3Very high92.5Very high28 Ų2825 Ų2515%0.14713%0.126CC..Hα-helixtrans-59.1-49.8176.8-178.1141.5000112.3S242 V243 S248 C249 K250 L286 A343 F344S242-L246 VanDerWaalsContact O-CB 3.31Å; S242-L246 WeakPolarHBondContact O-CB 3.42Å; S242-L246 PolarHBondContact O-N 3.31Å; V243-L246 PolarHBondContact O-N 3.25Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 2.9Å; L246-C249 PolarHBondContact O-N 3.45Å; L246-K250 VanDerWaalsContact O-CB 3.29Å; L246-K250 WeakPolarHBondContact O-CB 3.22Å; L246-K250 PolarHBondContact O-N 3.47Å; L246-L286 HydrophobicContact CD1-CD1 3.85Å; L246-L286 HydrophobicContact CG-CD1 4.01Å; L246-L286 HydrophobicContact CG-CG 4.49Å; L246-A343 HydrophobicContact CB-CB 4.18Å; L246-A343 HydrophobicContact CD1-CB 3.92Å; L246-A343 WeakPolarHBondContact CD1-O 3.32Å; L246-F344 VanDerWaalsContact CA-CZ 3.42Å; L246-F344 HydrophobicContact CB-CD2 4.37Å; L246-F344 HydrophobicContact CB-CE1 4.45Å; L246-F344 HydrophobicContact CB-CE2 3.78Å; L246-F344 HydrophobicContact CB-CZ 3.84Å; L246-F344 HydrophobicContact CD1-CD1 4.46Å; L246-F344 HydrophobicContact CD1-CD2 4.41Å; L246-F344 HydrophobicContact CD1-CG 4.37Å; L246-F344 HydrophobicContact CG-CZ 4.42Å
247R94.8Very high93Very high33 Ų3322.4 Ų22.413%0.12512%0.116CC..Hα-helixtrans-61.4-37.3177.8-72.5170.6172.1164.7-1.6111.8Y205 V243 L244 K250 T251 D282Y205-R247 HydrophobicContact CD1-CB 4.04Å; Y205-R247 HydrophobicContact CD1-CG 4.3Å; Y205-R247 HydrophobicContact CD2-CB 3.69Å; Y205-R247 HydrophobicContact CE1-CB 4.41Å; Y205-R247 HydrophobicContact CE2-CB 4.12Å; Y205-R247 HydrophobicContact CG-CB 3.68Å; Y205-R247 HydrophobicContact CG-CG 4.32Å; Y205-R247 PolarHBondContact O-NH1 2.94Å; V243-R247 HydrophobicContact CG1-CG 4.49Å; V243-R247 WeakPolarHBondContact O-CB 3.34Å; V243-R247 WeakPolarHBondContact O-CG 3.42Å; V243-R247 PolarHBondContact O-N 3.25Å; L244-R247 PolarHBondContact O-N 3.24Å; R247-K250 WeakPolarHBondContact O-CB 3.31Å; R247-K250 PolarHBondContact O-N 2.82Å; R247-T251 WeakPolarHBondContact O-CB 3.45Å; R247-T251 PolarHBondContact O-N 3.05Å; R247-T251 PolarHBondContact O-OG1 2.97Å; R247-D282 IonicContact CZ-OD1 2.78Å; R247-D282 IonicContact CZ-OD2 3.54Å; R247-D282 IonicContact NE-OD1 2.67Å; R247-D282 PolarHBondContact NE-OD1 2.92Å; R247-D282 IonicContact NE-OD2 3.49Å; R247-D282 IonicContact NH2-OD1 3.36Å; R247-D282 PolarHBondContact NH2-OD1 2.6Å; R247-D282 IonicContact NH2-OD2 3.55Å; R247-D282 PolarHBondContact NH2-OD2 2.59Å
248S94.4Very high93.3Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-72.1-43.7-179.8-58.50000112.2Y107 F202 L244 L245 L246 K250 T251 L252Y107-S248 WeakPolarHBondContact OH-CB 3.31Å; Y107-S248 PolarHBondContact OH-OG 3.29Å; F202-S248 VanDerWaalsContact CD1-OG 3.24Å; F202-S248 WeakPolarHBondContact CD1-OG 3.45Å; F202-S248 VanDerWaalsContact CG-OG 3.24Å; F202-S248 WeakPolarHBondContact CG-OG 3.41Å; L244-S248 VanDerWaalsContact O-CB 3.29Å; L244-S248 WeakPolarHBondContact O-CB 3.48Å; L244-S248 PolarHBondContact O-N 2.87Å; L244-S248 PolarHBondContact O-OG 2.95Å; L245-S248 PolarHBondContact O-N 2.93Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 2.9Å; S248-K250 VanDerWaalsContact C-N 3.32Å; S248-K250 PolarHBondContact O-N 3.39Å; S248-T251 PolarHBondContact O-N 2.82Å; S248-L252 WeakPolarHBondContact O-CB 3.26Å; S248-L252 PolarHBondContact O-N 2.94Å
249C96.4Very high93.7Very high0 Ų022.7 Ų22.70%012%0.116CC..Hα-helixtrans-57.7-44.2171.2-78.30000112.1Y114 L245 L246 T253 F344Y114-C249 HydrophobicContact CD1-CB 3.53Å; Y114-C249 VanDerWaalsContact CD1-SG 3.55Å; Y114-C249 HydrophobicContact CD2-CB 4.23Å; Y114-C249 HydrophobicContact CE1-CB 3.44Å; Y114-C249 VanDerWaalsContact CE1-CB 3.44Å; Y114-C249 HydrophobicContact CE2-CB 4.13Å; Y114-C249 HydrophobicContact CG-CB 3.94Å; L245-C249 WeakPolarHBondContact O-CB 3.17Å; L245-C249 PolarHBondContact O-N 2.83Å; L245-C249 PolarHBondContact O-SG 2.95Å; L245-C249 VanDerWaalsContact O-SG 3.36Å; L246-C249 PolarHBondContact O-N 3.45Å; C249-T253 WeakPolarHBondContact O-CG2 3.36Å; C249-T253 PolarHBondContact O-N 3.18Å; C249-T253 VanDerWaalsContact O-N 3.07Å; C249-T253 PolarHBondContact O-OG1 3.02Å; C249-F344 HydrophobicContact CB-CE1 4.43Å; C249-F344 HydrophobicContact CB-CZ 4.36Å
250K95.2Very high93.9Very high16 Ų1615.3 Ų15.37%0.078%0.082CC..Hα-helixtrans-60.5-51.4177.1-166.9179.2-160.4164.90112L246 R247 S248 T253 H254 L271 A281 D282 R284 P285 L286L246-K250 VanDerWaalsContact O-CB 3.29Å; L246-K250 WeakPolarHBondContact O-CB 3.22Å; L246-K250 PolarHBondContact O-N 3.47Å; R247-K250 WeakPolarHBondContact O-CB 3.31Å; R247-K250 PolarHBondContact O-N 2.82Å; S248-K250 VanDerWaalsContact C-N 3.32Å; S248-K250 PolarHBondContact O-N 3.39Å; K250-T253 PolarHBondContact O-N 2.81Å; K250-T253 PolarHBondContact O-OG1 2.77Å; K250-H254 VanDerWaalsContact O-CB 3.28Å; K250-H254 WeakPolarHBondContact O-CB 3.45Å; K250-H254 PolarHBondContact O-N 3.45Å; K250-L271 HydrophobicContact CB-CD1 4.26Å; K250-L271 HydrophobicContact CD-CD1 4.44Å; K250-L271 HydrophobicContact CG-CD1 3.29Å; K250-A281 VanDerWaalsContact CE-O 3.31Å; K250-A281 WeakPolarHBondContact CE-O 3.35Å; K250-A281 PolarHBondContact NZ-O 2.73Å; K250-D282 PolarHBondContact NZ-O 2.83Å; K250-R284 WeakPolarHBondContact CE-O 3.45Å; K250-R284 PolarHBondContact NZ-O 3.36Å; K250-P285 WeakPolarHBondContact CE-O 3.45Å; K250-L286 HydrophobicContact CB-CD2 3.65Å; K250-L286 HydrophobicContact CG-CD2 3.96Å
251T92.1Very high94.1Very high12 Ų1214.9 Ų14.97%0.0748%0.083CC..Hα-helixtrans-63.6-47.7-179.2-53.70000110.9F200 Y205 R247 S248 T253 H254 E255F200-T251 HydrophobicContact CB-CG2 4.31Å; Y205-T251 HydrophobicContact CE2-CG2 4.45Å; Y205-T251 WeakPolarHBondContact CE2-OG1 3.4Å; Y205-T251 VanDerWaalsContact CZ-OG1 3.3Å; Y205-T251 PolarHBondContact OH-OG1 3.27Å; R247-T251 WeakPolarHBondContact O-CB 3.45Å; R247-T251 PolarHBondContact O-N 3.05Å; R247-T251 PolarHBondContact O-OG1 2.97Å; S248-T251 PolarHBondContact O-N 2.82Å; T251-T253 VanDerWaalsContact C-N 3.28Å; T251-T253 PolarHBondContact O-N 2.59Å; T251-H254 PolarHBondContact O-N 3.42Å; T251-E255 HydrophobicContact CG2-CG 4.22Å; T251-E255 WeakPolarHBondContact O-CB 3.37Å; T251-E255 WeakPolarHBondContact O-CG 3.37Å; T251-E255 PolarHBondContact O-N 3.36Å
252L93.6Very high94.2Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-54.2-45.5177.6179.963.5000111.8I91 L111 C115 V171 I173 F200 S248 I256I91-L252 HydrophobicContact CD1-CD2 4.49Å; L111-L252 HydrophobicContact CB-CD2 4.41Å; C115-L252 HydrophobicContact CB-CD2 4.01Å; V171-L252 HydrophobicContact CG2-CD1 3.92Å; I173-L252 HydrophobicContact CG2-CD1 4.32Å; F200-L252 HydrophobicContact CD2-CD1 4.08Å; F200-L252 HydrophobicContact CE2-CD1 4.19Å; S248-L252 WeakPolarHBondContact O-CB 3.26Å; S248-L252 PolarHBondContact O-N 2.94Å; L252-I256 HydrophobicContact CD1-CD1 3.77Å; L252-I256 HydrophobicContact CD1-CG1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.98Å; L252-I256 WeakPolarHBondContact O-CB 3.42Å; L252-I256 WeakPolarHBondContact O-CD1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 3.5Å; L252-I256 VanDerWaalsContact O-N 3.13Å
253T95.9Very high94.2Very high1 Ų117.5 Ų17.51%0.0069%0.086CC..Hα-helixtrans-79.4-34.3-17749.40000113.8Y114 Y118 F119 C249 K250 T251 G257 L271Y114-T253 HydrophobicContact CD1-CG2 3.96Å; Y114-T253 HydrophobicContact CE1-CG2 3.48Å; Y114-T253 VanDerWaalsContact CE1-CG2 3.48Å; Y118-T253 HydrophobicContact CD1-CG2 3.56Å; Y118-T253 HydrophobicContact CD2-CG2 3.8Å; Y118-T253 HydrophobicContact CE1-CG2 4.04Å; Y118-T253 HydrophobicContact CE2-CG2 4.23Å; Y118-T253 HydrophobicContact CG-CG2 3.44Å; Y118-T253 VanDerWaalsContact CG-CG2 3.44Å; F119-T253 HydrophobicContact CE2-CG2 3.81Å; F119-T253 HydrophobicContact CZ-CG2 4.18Å; C249-T253 WeakPolarHBondContact O-CG2 3.36Å; C249-T253 PolarHBondContact O-N 3.18Å; C249-T253 VanDerWaalsContact O-N 3.07Å; C249-T253 PolarHBondContact O-OG1 3.02Å; K250-T253 PolarHBondContact O-N 2.81Å; K250-T253 PolarHBondContact O-OG1 2.77Å; T251-T253 VanDerWaalsContact C-N 3.28Å; T251-T253 PolarHBondContact O-N 2.59Å; T253-G257 PolarHBondContact O-N 2.64Å; T253-L271 VanDerWaalsContact OG1-CD2 3.31Å; T253-L271 WeakPolarHBondContact OG1-CD2 3.24Å
254H94.4Very high94.3Very high21 Ų2115.9 Ų15.910%0.0977%0.074CC..Hα-helixtrans-57.3-51.4172.1-179.2102000110.5K250 T251 G257 H258 H264 L271 M272 Q273K250-H254 VanDerWaalsContact O-CB 3.28Å; K250-H254 WeakPolarHBondContact O-CB 3.45Å; K250-H254 PolarHBondContact O-N 3.45Å; T251-H254 PolarHBondContact O-N 3.42Å; H254-G257 VanDerWaalsContact O-CA 3.3Å; H254-G257 WeakPolarHBondContact O-CA 3.44Å; H254-G257 PolarHBondContact O-N 3.09Å; H254-H258 AromaticContact CD2-CD2 3.84Å; H254-H258 AromaticContact CD2-NE2 3.51Å; H254-H258 AromaticContact NE2-CD2 3.94Å; H254-H258 AromaticContact NE2-CE1 3.86Å; H254-H258 AromaticContact NE2-NE2 3.12Å; H254-H258 PolarHBondContact NE2-NE2 2.83Å; H254-H258 VanDerWaalsContact NE2-NE2 3.12Å; H254-H258 PolarHBondContact O-N 2.77Å; H254-H264 AromaticContact CE1-CD2 3.87Å; H254-H264 AromaticContact NE2-CD2 3.8Å; H254-H264 AromaticContact NE2-NE2 3.67Å; H254-L271 HydrophobicContact CB-CD1 4.26Å; H254-L271 HydrophobicContact CB-CG 4.27Å; H254-L271 PolarHBondContact ND1-O 2.84Å; H254-M272 VanDerWaalsContact O-CE 3.3Å; H254-M272 WeakPolarHBondContact O-CE 3.24Å; H254-Q273 PolarHBondContact CE1-O 3.05Å
255E90.6Very high94.5Very high29 Ų2916 Ų1614%0.1368%0.075CC..Hα-helixtrans-74.8-37.6-172.6-62.1-73.4165.400112.8F200 T251 G257 H258 I259F200-E255 HydrophobicContact CD1-CB 3.71Å; F200-E255 HydrophobicContact CD1-CG 3.48Å; F200-E255 VanDerWaalsContact CD1-CG 3.48Å; F200-E255 HydrophobicContact CD2-CB 4.44Å; F200-E255 HydrophobicContact CE1-CB 3.04Å; F200-E255 HydrophobicContact CE1-CG 3.31Å; F200-E255 HydrophobicContact CE2-CB 3.81Å; F200-E255 HydrophobicContact CG-CB 4.4Å; F200-E255 HydrophobicContact CG-CG 4.27Å; F200-E255 HydrophobicContact CZ-CB 3.09Å; F200-E255 HydrophobicContact CZ-CG 3.89Å; T251-E255 HydrophobicContact CG2-CG 4.22Å; T251-E255 WeakPolarHBondContact O-CB 3.37Å; T251-E255 WeakPolarHBondContact O-CG 3.37Å; T251-E255 PolarHBondContact O-N 3.36Å; E255-G257 PolarHBondContact O-N 2.87Å; E255-H258 WeakPolarHBondContact O-CB 3.4Å; E255-H258 PolarHBondContact O-N 3.15Å; E255-H258 VanDerWaalsContact O-N 3.16Å; E255-H258 IonicContact OE2-CD2 2.8Å; E255-I259 PolarHBondContact O-N 2.84Å
256I94.2Very high94.6Very high0 Ų017.4 Ų17.40%08%0.081CC..Hα-helixtrans-61.4-35.4168.2-68.1167.5000109.9I89 F119 V171 L252 H258 I259 F260I89-I256 HydrophobicContact CD1-CG2 4.25Å; I89-I256 HydrophobicContact CG2-CD1 4.15Å; F119-I256 HydrophobicContact CD1-CG2 4.36Å; F119-I256 HydrophobicContact CD2-CD1 4.42Å; F119-I256 HydrophobicContact CD2-CG2 4.19Å; F119-I256 HydrophobicContact CE1-CB 4.4Å; F119-I256 HydrophobicContact CE1-CG2 3.72Å; F119-I256 HydrophobicContact CE2-CB 3.76Å; F119-I256 HydrophobicContact CE2-CD1 3.72Å; F119-I256 HydrophobicContact CE2-CG1 4.36Å; F119-I256 HydrophobicContact CE2-CG2 3.52Å; F119-I256 HydrophobicContact CZ-CB 3.53Å; F119-I256 HydrophobicContact CZ-CD1 4.4Å; F119-I256 HydrophobicContact CZ-CG2 3.26Å; V171-I256 HydrophobicContact CG1-CD1 4.43Å; V171-I256 HydrophobicContact CG1-CG1 3.82Å; V171-I256 HydrophobicContact CG2-CD1 4.2Å; V171-I256 HydrophobicContact CG2-CG1 4.48Å; L252-I256 HydrophobicContact CD1-CD1 3.77Å; L252-I256 HydrophobicContact CD1-CG1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.98Å; L252-I256 WeakPolarHBondContact O-CB 3.42Å; L252-I256 WeakPolarHBondContact O-CD1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 3.5Å; L252-I256 VanDerWaalsContact O-N 3.13Å; I256-H258 VanDerWaalsContact C-N 3.27Å; I256-H258 PolarHBondContact O-N 2.75Å; I256-I259 WeakPolarHBondContact O-CA 3.45Å; I256-I259 WeakPolarHBondContact O-CB 3.42Å; I256-I259 PolarHBondContact O-N 3.37Å; I256-F260 HydrophobicContact CG2-CD2 4.23Å; I256-F260 HydrophobicContact CG2-CE2 3.76Å; I256-F260 VanDerWaalsContact O-CD2 3.31Å; I256-F260 WeakPolarHBondContact O-CD2 3.22Å; I256-F260 PolarHBondContact O-N 3.29Å
257G95Very high94.6Very high3 Ų317.1 Ų17.13%0.0318%0.078CC..Hα-helixtrans-54-42.1172.800000112.7T253 H254 E255 I259 F260 L262T253-G257 PolarHBondContact O-N 2.64Å; H254-G257 VanDerWaalsContact O-CA 3.3Å; H254-G257 WeakPolarHBondContact O-CA 3.44Å; H254-G257 PolarHBondContact O-N 3.09Å; E255-G257 PolarHBondContact O-N 2.87Å; G257-I259 VanDerWaalsContact C-N 3.28Å; G257-I259 PolarHBondContact O-N 3.25Å; G257-F260 WeakPolarHBondContact O-CB 3.43Å; G257-F260 PolarHBondContact O-N 2.82Å; G257-L262 WeakPolarHBondContact O-CB 3.37Å; G257-L262 WeakPolarHBondContact O-CD1 3.43Å; G257-L262 PolarHBondContact O-N 2.79Å
258H92.8Very high94.7Very high28 Ų2816 Ų1613%0.138%0.075CC..Hα-helixtrans-60.6-35.5173.6-69.3-47.6000112.9L193 H254 E255 I256 F260 G261 L262 H264L193-H258 HydrophobicContact CD2-CB 3.73Å; L193-H258 WeakPolarHBondContact CD2-O 3.25Å; H254-H258 AromaticContact CD2-CD2 3.84Å; H254-H258 AromaticContact CD2-NE2 3.51Å; H254-H258 AromaticContact NE2-CD2 3.94Å; H254-H258 AromaticContact NE2-CE1 3.86Å; H254-H258 AromaticContact NE2-NE2 3.12Å; H254-H258 PolarHBondContact NE2-NE2 2.83Å; H254-H258 VanDerWaalsContact NE2-NE2 3.12Å; H254-H258 PolarHBondContact O-N 2.77Å; E255-H258 WeakPolarHBondContact O-CB 3.4Å; E255-H258 PolarHBondContact O-N 3.15Å; E255-H258 VanDerWaalsContact O-N 3.16Å; E255-H258 IonicContact OE2-CD2 2.8Å; I256-H258 VanDerWaalsContact C-N 3.27Å; I256-H258 PolarHBondContact O-N 2.75Å; H258-F260 PolarHBondContact O-N 3.41Å; H258-G261 WeakPolarHBondContact O-CA 3.48Å; H258-G261 PolarHBondContact O-N 2.7Å; H258-L262 PolarHBondContact ND1-O 3.13Å; H258-H264 AromaticContact CE1-CD2 3.66Å; H258-H264 AromaticContact CE1-NE2 3.83Å; H258-H264 AromaticContact NE2-CD2 3.89Å; H258-H264 AromaticContact NE2-NE2 3.66Å
259I92.4Very high94.8Very high1 Ų117.3 Ų17.31%0.0059%0.085CC..Hα-helixtrans-64-29.7179-58.5169.7000111.8F168 C169 V171 L193 E255 I256 G257 G261F168-I259 HydrophobicContact CE1-CG2 3.98Å; F168-I259 HydrophobicContact CZ-CG2 4.22Å; C169-I259 HydrophobicContact CB-CD1 3.78Å; C169-I259 HydrophobicContact CB-CG2 3.87Å; V171-I259 HydrophobicContact CG1-CD1 3.96Å; L193-I259 HydrophobicContact CD2-CG1 4.47Å; E255-I259 PolarHBondContact O-N 2.84Å; I256-I259 WeakPolarHBondContact O-CA 3.45Å; I256-I259 WeakPolarHBondContact O-CB 3.42Å; I256-I259 PolarHBondContact O-N 3.37Å; G257-I259 VanDerWaalsContact C-N 3.28Å; G257-I259 PolarHBondContact O-N 3.25Å; I259-G261 PolarHBondContact O-N 3.16Å
260F93.3Very high94.8Very high0 Ų017.3 Ų17.30%09%0.085CC..THydrogen-bonded Turntrans-73.1-8.7170.2-71.9-83.7000113.6F73 R79 P82 F119 L122 F168 I256 G257 H258 L262 L296 A299 V300F73-F260 VanDerWaalsContact CE2-O 3.31Å; F73-F260 WeakPolarHBondContact CE2-O 3.48Å; R79-F260 WeakPolarHBondContact CG-O 3.35Å; P82-F260 HydrophobicContact CG-CE1 3.65Å; P82-F260 HydrophobicContact CG-CZ 4.35Å; F119-F260 AromaticContact CD1-CE2 3.64Å; F119-F260 HydrophobicContact CD1-CE2 3.64Å; F119-F260 HydrophobicContact CD1-CZ 4.07Å; F119-F260 HydrophobicContact CE1-CD2 4.21Å; F119-F260 AromaticContact CE1-CE2 3.58Å; F119-F260 HydrophobicContact CE1-CE2 3.58Å; F119-F260 HydrophobicContact CE1-CZ 4.45Å; F119-F260 HydrophobicContact CZ-CE2 4.49Å; L122-F260 HydrophobicContact CD1-CE1 4.34Å; L122-F260 HydrophobicContact CD1-CZ 3.71Å; F168-F260 HydrophobicContact CD1-CE1 4.45Å; F168-F260 HydrophobicContact CD1-CZ 4.22Å; F168-F260 AromaticContact CE1-CD1 3.91Å; F168-F260 HydrophobicContact CE1-CD1 3.91Å; F168-F260 HydrophobicContact CE1-CD2 4.12Å; F168-F260 AromaticContact CE1-CE1 3.62Å; F168-F260 HydrophobicContact CE1-CE1 3.62Å; F168-F260 AromaticContact CE1-CE2 3.82Å; F168-F260 HydrophobicContact CE1-CE2 3.82Å; F168-F260 HydrophobicContact CE1-CG 4.16Å; F168-F260 AromaticContact CE1-CZ 3.56Å; F168-F260 HydrophobicContact CE1-CZ 3.56Å; F168-F260 HydrophobicContact CE2-CE1 4.44Å; F168-F260 AromaticContact CZ-CD1 3.58Å; F168-F260 HydrophobicContact CZ-CD1 3.58Å; F168-F260 HydrophobicContact CZ-CD2 4.46Å; F168-F260 AromaticContact CZ-CE1 3.62Å; F168-F260 HydrophobicContact CZ-CE1 3.62Å; F168-F260 HydrophobicContact CZ-CE2 4.47Å; F168-F260 HydrophobicContact CZ-CG 4.04Å; F168-F260 HydrophobicContact CZ-CZ 4.07Å; I256-F260 HydrophobicContact CG2-CD2 4.23Å; I256-F260 HydrophobicContact CG2-CE2 3.76Å; I256-F260 VanDerWaalsContact O-CD2 3.31Å; I256-F260 WeakPolarHBondContact O-CD2 3.22Å; I256-F260 PolarHBondContact O-N 3.29Å; G257-F260 WeakPolarHBondContact O-CB 3.43Å; G257-F260 PolarHBondContact O-N 2.82Å; H258-F260 PolarHBondContact O-N 3.41Å; F260-L262 HydrophobicContact CB-CD1 3.6Å; F260-L296 HydrophobicContact CB-CD1 4.48Å; F260-L296 HydrophobicContact CD1-CD1 4.15Å; F260-L296 HydrophobicContact CD2-CD1 3.66Å; F260-L296 HydrophobicContact CE1-CD1 4.25Å; F260-L296 HydrophobicContact CE2-CD1 3.8Å; F260-L296 HydrophobicContact CG-CD1 3.85Å; F260-L296 HydrophobicContact CZ-CD1 4.08Å; F260-A299 HydrophobicContact CD1-CB 3.79Å; F260-A299 HydrophobicContact CE1-CB 4.33Å; F260-V300 HydrophobicContact CD1-CG2 4.38Å; F260-V300 HydrophobicContact CE1-CG2 3.5Å; F260-V300 VanDerWaalsContact CE1-CG2 3.5Å; F260-V300 HydrophobicContact CZ-CG2 3.74Å
261G93.6Very high94.9Very high14 Ų1416.6 Ų16.614%0.1448%0.083CC..THydrogen-bonded Turntrans93.811.3-176.500000114.4Q68 H258 I259 R263Q68-G261 PolarHBondContact NE2-O 2.64Å; Q68-G261 PolarHBondContact OE1-O 3.01Å; H258-G261 WeakPolarHBondContact O-CA 3.48Å; H258-G261 PolarHBondContact O-N 2.7Å; I259-G261 PolarHBondContact O-N 3.16Å; G261-R263 PolarHBondContact O-N 3Å
262L95.4Very high95.2Very high3 Ų316.1 Ų16.12%0.0168%0.079CC..PPolyproline II helixtrans-71.5122.6173.3-75.372.6000108.6F73 G257 H258 F260 M272 C292 K295F73-L262 HydrophobicContact CE2-CD1 3.79Å; F73-L262 HydrophobicContact CE2-CG 4.44Å; F73-L262 HydrophobicContact CZ-CD1 4.2Å; G257-L262 WeakPolarHBondContact O-CB 3.37Å; G257-L262 WeakPolarHBondContact O-CD1 3.43Å; G257-L262 PolarHBondContact O-N 2.79Å; H258-L262 PolarHBondContact ND1-O 3.13Å; F260-L262 HydrophobicContact CB-CD1 3.6Å; L262-M272 HydrophobicContact CB-CE 3.91Å; L262-M272 HydrophobicContact CB-CG 4.43Å; L262-M272 HydrophobicContact CB-SD 4.5Å; L262-M272 HydrophobicContact CD2-CG 3.86Å; L262-M272 HydrophobicContact CD2-SD 4.33Å; L262-C292 HydrophobicContact CD2-CB 4.09Å; L262-K295 HydrophobicContact CD1-CB 4.35Å; L262-K295 HydrophobicContact CG-CB 4.26Å; L262-K295 HydrophobicContact CG-CD 4.27Å
263R95.2Very high95.3Very high115 Ų11516.3 Ų16.343%0.4348%0.08SC..PPolyproline II helixtrans-82.8173.2170-61.5-178.5-163.61713.2110.7Q68 D76 G261 C265Q68-R263 HydrophobicContact CB-CB 4.04Å; Q68-R263 HydrophobicContact CB-CG 4.34Å; Q68-R263 HydrophobicContact CG-CG 4.46Å; D76-R263 IonicContact OD2-NH2 3.07Å; D76-R263 PolarHBondContact OD2-NH2 3.45Å; G261-R263 PolarHBondContact O-N 3Å; R263-C265 PolarHBondContact O-N 2.59Å
264H96.3Very high95.2Very high28 Ų2816.4 Ų16.413%0.138%0.081CC..PPolyproline II helixtrans-54.7130.3171.8-69.4140.7000111.3W59 E65 H254 H258 M272 G274W59-H264 AromaticContact CE2-CE1 3.6Å; W59-H264 AromaticContact CE2-ND1 3.63Å; W59-H264 AromaticContact CZ2-CE1 3.36Å; W59-H264 WeakPolarHBondContact CZ2-CE1 3.39Å; W59-H264 AromaticContact CZ2-ND1 3.68Å; W59-H264 AromaticContact NE1-CE1 3.78Å; W59-H264 AromaticContact NE1-ND1 3.33Å; W59-H264 PolarHBondContact NE1-ND1 3.38Å; E65-H264 IonicContact OE1-CE1 3.1Å; E65-H264 IonicContact OE1-ND1 3.79Å; E65-H264 PolarHBondContact OE1-ND1 2.64Å; E65-H264 VanDerWaalsContact OE1-ND1 3.16Å; E65-H264 WeakPolarHBondContact OE2-CB 3.21Å; E65-H264 IonicContact OE2-CG 2.89Å; E65-H264 IonicContact OE2-ND1 2.76Å; E65-H264 PolarHBondContact OE2-ND1 2.99Å; H254-H264 AromaticContact CE1-CD2 3.87Å; H254-H264 AromaticContact NE2-CD2 3.8Å; H254-H264 AromaticContact NE2-NE2 3.67Å; H258-H264 AromaticContact CE1-CD2 3.66Å; H258-H264 AromaticContact CE1-NE2 3.83Å; H258-H264 AromaticContact NE2-CD2 3.89Å; H258-H264 AromaticContact NE2-NE2 3.66Å; H264-M272 CarbonylContact C-O 3.53Å; H264-M272 WeakPolarHBondContact CA-O 3.4Å; H264-G274 WeakPolarHBondContact CD2-CA 3.22Å; H264-G274 PolarHBondContact CD2-N 2.93Å; H264-G274 WeakPolarHBondContact NE2-CA 3.3Å
265C97.8Very high95Very high4 Ų417 Ų173%0.0279%0.088CC..PPolyproline II helixtrans-79.6134-178.6-173.40000110.5R263 C270 M272 Q273R263-C265 PolarHBondContact O-N 2.59Å; C265-C270 HydrophobicContact CB-CB 3.85Å; C265-M272 HydrophobicContact CB-CB 4.01Å; C265-M272 PolarHBondContact N-O 2.87Å; C265-Q273 HydrophobicContact CB-CG 4.28Å; C265-Q273 WeakPolarHBondContact O-CG 3.34Å
266Q96.9Very high94.8Very high29 Ų2918.7 Ų18.714%0.13610%0.098CC..  trans-127.613.4174.4-58.3-17624.500112.9H6 I51 I60 E65 P67H6-Q266 PolarHBondContact NE2-O 2.98Å; I51-Q266 WeakPolarHBondContact CD1-O 3.01Å; I60-Q266 HydrophobicContact CD1-CG 4.41Å; I60-Q266 HydrophobicContact CG1-CG 4.41Å; E65-Q266 VanDerWaalsContact C-NE2 3.33Å; E65-Q266 PolarHBondContact O-NE2 2.9Å; E65-Q266 PolarHBondContact O-OE1 3.06Å; P67-Q266 HydrophobicContact CB-CB 4.24Å
267W96.6Very high94.4Very high22 Ų2221 Ų218%0.08311%0.109CC..SBendtrans-89.3-50.4-177.5-62.9114000112.7H6 T10 L11 A14 P67 Q68 D69 I291H6-W267 PolarHBondContact CD2-O 3.04Å; H6-W267 AromaticContact CE1-CE3 3.96Å; H6-W267 AromaticContact ND1-CZ3 4Å; T10-W267 HydrophobicContact CG2-CE3 4.47Å; T10-W267 HydrophobicContact CG2-CH2 4.34Å; T10-W267 HydrophobicContact CG2-CZ3 3.6Å; L11-W267 HydrophobicContact CD2-CB 4.42Å; L11-W267 HydrophobicContact CD2-CE3 4.35Å; A14-W267 HydrophobicContact CB-CD2 3.85Å; A14-W267 HydrophobicContact CB-CE3 3.95Å; A14-W267 HydrophobicContact CB-CH2 3.73Å; A14-W267 HydrophobicContact CB-CZ2 3.61Å; A14-W267 HydrophobicContact CB-CZ3 3.91Å; P67-W267 HydrophobicContact CB-CH2 4.21Å; P67-W267 HydrophobicContact CB-CZ2 3.7Å; P67-W267 HydrophobicContact CG-CH2 4.28Å; P67-W267 HydrophobicContact CG-CZ2 4.16Å; Q68-W267 PolarHBondContact O-NE1 3.03Å; D69-W267 HydrophobicContact CB-CZ2 3.92Å; W267-I291 HydrophobicContact CB-CD1 3.9Å; W267-I291 HydrophobicContact CB-CG1 4.44Å; W267-I291 HydrophobicContact CG-CD1 4.29Å; W267-I291 HydrophobicContact CG-CG1 4.32Å
268L96.3Very high93.9Very high10 Ų1021.8 Ų21.85%0.05211%0.112CC..SBendtrans-149.7168.6-173.5-68.9169.1000109.2L11 A40 F48 G49 I51 C270 C289 I291L11-L268 HydrophobicContact CD1-CD2 4.35Å; L11-L268 HydrophobicContact CD2-CD1 4.48Å; L11-L268 HydrophobicContact CD2-CD2 4.48Å; L11-L268 HydrophobicContact CD2-CG 4.27Å; A40-L268 HydrophobicContact CB-CD1 3.97Å; F48-L268 HydrophobicContact CB-CD1 4.27Å; G49-L268 WeakPolarHBondContact O-CD2 3.37Å; I51-L268 VanDerWaalsContact CG1-C 3.49Å; L268-C270 WeakPolarHBondContact O-CB 3.45Å; L268-C270 PolarHBondContact O-N 2.56Å; L268-C270 VanDerWaalsContact O-N 3.15Å; L268-C289 HydrophobicContact CB-CB 3.68Å; L268-C289 HydrophobicContact CD1-CB 4.18Å; L268-I291 HydrophobicContact CD1-CD1 4.08Å
269A96Very high93.8Very high27 Ų2725.6 Ų25.622%0.22313%0.13CC..SBendtrans-53.2120.7170.300000109.9G49 Q273 P285G49-A269 PolarHBondContact O-N 3.34Å; A269-Q273 VanDerWaalsContact CA-OE1 3.31Å; A269-P285 HydrophobicContact CB-CG 4.28Å
270C97.9Very high93.8Very high0 Ų025.6 Ų25.60%013%0.13CC..  trans-156.5145.7-166.7-1750000111.3C265 L268 M272 Q273 C289C265-C270 HydrophobicContact CB-CB 3.85Å; L268-C270 WeakPolarHBondContact O-CB 3.45Å; L268-C270 PolarHBondContact O-N 2.56Å; L268-C270 VanDerWaalsContact O-N 3.15Å; C270-M272 PolarHBondContact O-N 3.36Å; C270-M272 PolarHBondContact SG-N 2.89Å; C270-M272 VanDerWaalsContact SG-N 3.43Å; C270-Q273 HydrophobicContact CB-CG 4.1Å; C270-Q273 WeakPolarHBondContact O-CB 3.47Å; C270-Q273 VanDerWaalsContact O-CG 3.25Å; C270-Q273 WeakPolarHBondContact O-CG 3.29Å; C270-Q273 PolarHBondContact O-N 3.14Å; C270-Q273 VanDerWaalsContact O-N 3.12Å; C270-Q273 PolarHBondContact O-OE1 2.86Å; C270-C289 HydrophobicContact CB-CB 3.98Å; C270-C289 PolarHBondContact SG-N 2.76Å; C270-C289 VanDerWaalsContact SG-N 3.38Å
271L97.8Very high93.7Very high2 Ų226.3 Ų26.31%0.0114%0.136CC..THydrogen-bonded Turntrans-51.6-40.5170.2173.467000111.9Y118 K250 T253 H254 Q273 P285 N287 L288Y118-L271 HydrophobicContact CE1-CD2 4.32Å; Y118-L271 HydrophobicContact CE2-CD2 4.27Å; Y118-L271 WeakPolarHBondContact OH-CD2 3.34Å; K250-L271 HydrophobicContact CB-CD1 4.26Å; K250-L271 HydrophobicContact CD-CD1 4.44Å; K250-L271 HydrophobicContact CG-CD1 3.29Å; T253-L271 VanDerWaalsContact OG1-CD2 3.31Å; T253-L271 WeakPolarHBondContact OG1-CD2 3.24Å; H254-L271 HydrophobicContact CB-CD1 4.26Å; H254-L271 HydrophobicContact CB-CG 4.27Å; H254-L271 PolarHBondContact ND1-O 2.84Å; L271-Q273 PolarHBondContact O-N 2.69Å; L271-Q273 VanDerWaalsContact O-N 3.14Å; L271-P285 WeakPolarHBondContact CA-O 3.27Å; L271-N287 PolarHBondContact N-O 3.38Å; L271-L288 HydrophobicContact CB-CD2 4.12Å; L271-L288 HydrophobicContact CD2-CD2 4.37Å
272M97.6Very high93.6Very high1 Ų128.5 Ų28.51%0.00514%0.144CC..THydrogen-bonded Turntrans-76.69.1-176-64.3-56.7-51.700113.4H254 L262 H264 C265 C270 L288H254-M272 VanDerWaalsContact O-CE 3.3Å; H254-M272 WeakPolarHBondContact O-CE 3.24Å; L262-M272 HydrophobicContact CB-CE 3.91Å; L262-M272 HydrophobicContact CB-CG 4.43Å; L262-M272 HydrophobicContact CB-SD 4.5Å; L262-M272 HydrophobicContact CD2-CG 3.86Å; L262-M272 HydrophobicContact CD2-SD 4.33Å; H264-M272 CarbonylContact C-O 3.53Å; H264-M272 WeakPolarHBondContact CA-O 3.4Å; C265-M272 HydrophobicContact CB-CB 4.01Å; C265-M272 PolarHBondContact N-O 2.87Å; C270-M272 PolarHBondContact O-N 3.36Å; C270-M272 PolarHBondContact SG-N 2.89Å; C270-M272 VanDerWaalsContact SG-N 3.43Å; M272-L288 HydrophobicContact CG-CD2 3.7Å
273Q96.4Very high93.5Very high5 Ų533 Ų332%0.02316%0.161CC..  trans-71.1133.7174-67.3179.6-87.600110.6I51 H254 C265 A269 C270 L271 R284I51-Q273 VanDerWaalsContact CG2-NE2 3.3Å; H254-Q273 PolarHBondContact CE1-O 3.05Å; C265-Q273 HydrophobicContact CB-CG 4.28Å; C265-Q273 WeakPolarHBondContact O-CG 3.34Å; A269-Q273 VanDerWaalsContact CA-OE1 3.31Å; C270-Q273 HydrophobicContact CB-CG 4.1Å; C270-Q273 WeakPolarHBondContact O-CB 3.47Å; C270-Q273 VanDerWaalsContact O-CG 3.25Å; C270-Q273 WeakPolarHBondContact O-CG 3.29Å; C270-Q273 PolarHBondContact O-N 3.14Å; C270-Q273 VanDerWaalsContact O-N 3.12Å; C270-Q273 PolarHBondContact O-OE1 2.86Å; L271-Q273 PolarHBondContact O-N 2.69Å; L271-Q273 VanDerWaalsContact O-N 3.14Å; Q273-R284 HydrophobicContact CB-CG 4.36Å
274G92.6Very high93.5Very high2 Ų228.4 Ų28.42%0.02114%0.144CC..  trans-60.4152.4171.600000111.2W59 H264 R284W59-G274 VanDerWaalsContact CB-C 3.47Å; W59-G274 WeakPolarHBondContact CB-O 3.29Å; W59-G274 VanDerWaalsContact CG-C 3.48Å; H264-G274 WeakPolarHBondContact CD2-CA 3.22Å; H264-G274 PolarHBondContact CD2-N 2.93Å; H264-G274 WeakPolarHBondContact NE2-CA 3.3Å; G274-R284 PolarHBondContact O-NE 3.36Å; G274-R284 PolarHBondContact O-NH2 2.87Å
275S91Very high93.4Very high35 Ų3528.5 Ų28.525%0.24515%0.147CC..  trans-140.7130.1-179.5-57.70000109.9E280 A281S275-E280 WeakPolarHBondContact CA-OE2 3.49Å; S275-A281 WeakPolarHBondContact OG-CA 3.1Å
276N86.8Confident93.3Very high64 Ų6428.8 Ų28.834%0.34215%0.148SC..SBendtrans-90.1-24.7-177.5-16836.8000112.1S57 W59 H63 E280S57-N276 WeakPolarHBondContact O-CB 3.26Å; S57-N276 PolarHBondContact O-ND2 3.17Å; W59-N276 HydrophobicContact CB-CB 4.46Å; W59-N276 HydrophobicContact CE3-CB 4.2Å; H63-N276 PolarHBondContact CE1-OD1 2.86Å; N276-E280 PolarHBondContact N-OE2 3.26Å
277H84.6Confident93.3Very high48 Ų4828.1 Ų28.122%0.22215%0.145CC..SBendtrans-149.6170.2-179.759.994.3000112E279 E280 A281H277-E279 IonicContact CE1-OE2 2.64Å; H277-E279 IonicContact CG-OE2 3.55Å; H277-E279 IonicContact ND1-OE2 3.83Å; H277-E279 PolarHBondContact ND1-OE2 3.42Å; H277-E279 PolarHBondContact O-N 3.32Å; H277-E280 PolarHBondContact CE1-N 3.17Å; H277-E280 PolarHBondContact ND1-N 3.39Å; H277-E280 PolarHBondContact O-N 3.01Å; H277-A281 PolarHBondContact O-N 3.16Å
278L85.4Confident93.3Very high19 Ų1927.3 Ų27.310%0.09914%0.142CC..Hα-helixtrans-64.4-42-170.6-179.458.4000112.7Y205 Y210 E280 A281 D282Y205-L278 HydrophobicContact CD1-CD1 3.52Å; Y205-L278 HydrophobicContact CE1-CD1 3.6Å; Y210-L278 HydrophobicContact CE2-CD2 4.37Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 2.94Å; L278-A281 CarbonylContact O-C 3.43Å; L278-A281 WeakPolarHBondContact O-CB 3.21Å; L278-A281 PolarHBondContact O-N 3.37Å; L278-A281 VanDerWaalsContact O-N 3.14Å; L278-D282 PolarHBondContact O-N 3.2Å
279E89.9Confident93.4Very high109 Ų10926.8 Ų26.851%0.50914%0.14SC..Hα-helixtrans-65.2-35.3-179.8-5774.2-16600111H277 R283H277-E279 IonicContact CE1-OE2 2.64Å; H277-E279 IonicContact CG-OE2 3.55Å; H277-E279 IonicContact ND1-OE2 3.83Å; H277-E279 PolarHBondContact ND1-OE2 3.42Å; H277-E279 PolarHBondContact O-N 3.32Å; E279-R283 WeakPolarHBondContact O-CG 3.16Å; E279-R283 PolarHBondContact O-N 3.43Å; E279-R283 PolarHBondContact O-NH1 2.77Å
280E92.3Very high93.5Very high0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-67.2-45.1172.1-176.5178.2-156.100111.1D58 W59 S275 N276 H277 L278 D282 R283 R284D58-E280 WeakPolarHBondContact CA-OE1 3.19Å; D58-E280 VanDerWaalsContact CB-OE1 3.26Å; D58-E280 WeakPolarHBondContact CB-OE1 3.31Å; W59-E280 PolarHBondContact N-OE1 2.73Å; W59-E280 PolarHBondContact N-OE2 2.95Å; W59-E280 VanDerWaalsContact N-OE2 3.09Å; S275-E280 WeakPolarHBondContact CA-OE2 3.49Å; N276-E280 PolarHBondContact N-OE2 3.26Å; H277-E280 PolarHBondContact CE1-N 3.17Å; H277-E280 PolarHBondContact ND1-N 3.39Å; H277-E280 PolarHBondContact O-N 3.01Å; L278-E280 VanDerWaalsContact C-N 3.28Å; L278-E280 PolarHBondContact O-N 2.94Å; E280-D282 VanDerWaalsContact C-N 3.31Å; E280-D282 PolarHBondContact O-N 2.84Å; E280-R283 PolarHBondContact O-N 3.42Å; E280-R284 WeakPolarHBondContact O-CG 3.47Å; E280-R284 PolarHBondContact O-N 3.19Å; E280-R284 IonicContact OE1-CZ 3.96Å; E280-R284 IonicContact OE1-NH2 2.96Å; E280-R284 PolarHBondContact OE1-NH2 3.27Å
281A90.7Very high93.6Very high15 Ų1525.5 Ų25.512%0.12413%0.129CC..Hα-helixtrans-57.7-44.4176.200000111K250 S275 H277 L278 R283 R284K250-A281 VanDerWaalsContact CE-O 3.31Å; K250-A281 WeakPolarHBondContact CE-O 3.35Å; K250-A281 PolarHBondContact NZ-O 2.73Å; S275-A281 WeakPolarHBondContact OG-CA 3.1Å; H277-A281 PolarHBondContact O-N 3.16Å; L278-A281 CarbonylContact O-C 3.43Å; L278-A281 WeakPolarHBondContact O-CB 3.21Å; L278-A281 PolarHBondContact O-N 3.37Å; L278-A281 VanDerWaalsContact O-N 3.14Å; A281-R283 PolarHBondContact O-N 2.95Å; A281-R284 WeakPolarHBondContact O-CB 3.27Å; A281-R284 PolarHBondContact O-N 3.43Å
282D92.2Very high93.6Very high60 Ų6025.4 Ų25.432%0.32113%0.129SC..Hα-helixtrans-61.5-39.9179.1-77-21.5000112.9R247 K250 L278 E280 R284R247-D282 IonicContact CZ-OD1 2.78Å; R247-D282 IonicContact CZ-OD2 3.54Å; R247-D282 IonicContact NE-OD1 2.67Å; R247-D282 PolarHBondContact NE-OD1 2.92Å; R247-D282 IonicContact NE-OD2 3.49Å; R247-D282 IonicContact NH2-OD1 3.36Å; R247-D282 PolarHBondContact NH2-OD1 2.6Å; R247-D282 IonicContact NH2-OD2 3.55Å; R247-D282 PolarHBondContact NH2-OD2 2.59Å; K250-D282 PolarHBondContact NZ-O 2.83Å; L278-D282 PolarHBondContact O-N 3.2Å; E280-D282 VanDerWaalsContact C-N 3.31Å; E280-D282 PolarHBondContact O-N 2.84Å; D282-R284 PolarHBondContact O-N 2.89Å
283R93.6Very high93.7Very high99 Ų9925.4 Ų25.437%0.37413%0.129SC..Hα-helixtrans-65.9-21.2177.8-70.9-174.3-57.2-9211.1113.8H54 D58 E279 E280 A281H54-R283 PolarHBondContact CD2-NE 3.43Å; H54-R283 VanDerWaalsContact CD2-NE 3.32Å; D58-R283 IonicContact OD1-NH2 2.7Å; D58-R283 IonicContact OD2-NH2 3.4Å; E279-R283 WeakPolarHBondContact O-CG 3.16Å; E279-R283 PolarHBondContact O-N 3.43Å; E279-R283 PolarHBondContact O-NH1 2.77Å; E280-R283 PolarHBondContact O-N 3.42Å; A281-R283 PolarHBondContact O-N 2.95Å
284R94.1Very high93.8Very high18 Ų1825.5 Ų25.57%0.06813%0.129CC..SBendtrans-66.2151.1177.7-52-50.3-168.1-178.61.2110.2K250 Q273 G274 E280 A281 D282K250-R284 WeakPolarHBondContact CE-O 3.45Å; K250-R284 PolarHBondContact NZ-O 3.36Å; Q273-R284 HydrophobicContact CB-CG 4.36Å; G274-R284 PolarHBondContact O-NE 3.36Å; G274-R284 PolarHBondContact O-NH2 2.87Å; E280-R284 WeakPolarHBondContact O-CG 3.47Å; E280-R284 PolarHBondContact O-N 3.19Å; E280-R284 IonicContact OE1-CZ 3.96Å; E280-R284 IonicContact OE1-NH2 2.96Å; E280-R284 PolarHBondContact OE1-NH2 3.27Å; A281-R284 WeakPolarHBondContact O-CB 3.27Å; A281-R284 PolarHBondContact O-N 3.43Å; D282-R284 PolarHBondContact O-N 2.89Å
285P95.4Very high94Very high30 Ų3025.5 Ų25.520%0.19513%0.128CC..  trans-78.1170.2172.730.7-33.5000112.7K250 A269 L271 N287K250-P285 WeakPolarHBondContact CE-O 3.45Å; A269-P285 HydrophobicContact CB-CG 4.28Å; L271-P285 WeakPolarHBondContact CA-O 3.27Å; P285-N287 WeakPolarHBondContact CB-OD1 3.48Å
286L95.9Very high94.4Very high9 Ų923.9 Ų23.95%0.04712%0.117CC..SBendtrans-83.1-17.5165.9-78.1170.3000112.9Y118 L246 K250 F344 W347Y118-L286 PolarHBondContact OH-O 2.99Å; L246-L286 HydrophobicContact CD1-CD1 3.85Å; L246-L286 HydrophobicContact CG-CD1 4.01Å; L246-L286 HydrophobicContact CG-CG 4.49Å; K250-L286 HydrophobicContact CB-CD2 3.65Å; K250-L286 HydrophobicContact CG-CD2 3.96Å; L286-F344 HydrophobicContact CD1-CD1 3.97Å; L286-F344 HydrophobicContact CD1-CE1 4.05Å; L286-W347 HydrophobicContact CB-CD2 3.75Å; L286-W347 VanDerWaalsContact CB-CE2 3.45Å; L286-W347 HydrophobicContact CB-CG 3.85Å; L286-W347 HydrophobicContact CB-CZ2 3.96Å; L286-W347 HydrophobicContact CD1-CB 4.11Å; L286-W347 HydrophobicContact CD1-CD2 3.47Å; L286-W347 VanDerWaalsContact CD1-CD2 3.47Å; L286-W347 HydrophobicContact CD1-CE3 3.55Å; L286-W347 HydrophobicContact CD1-CG 3.77Å; L286-W347 HydrophobicContact CD1-CZ2 4.47Å; L286-W347 HydrophobicContact CD1-CZ3 4.1Å; L286-W347 HydrophobicContact CG-CD2 4.28Å; L286-W347 HydrophobicContact CG-CG 4.44Å
287N95.3Very high94.9Very high16 Ų1621.7 Ų21.79%0.08610%0.104CC..SBendtrans-83.3151.4-178.563.8-86.2000113.2L271 P285 W350L271-N287 PolarHBondContact N-O 3.38Å; P285-N287 WeakPolarHBondContact CB-OD1 3.48Å; N287-W350 HydrophobicContact CB-CD2 4.34Å; N287-W350 HydrophobicContact CB-CE3 3.9Å; N287-W350 HydrophobicContact CB-CH2 3.27Å; N287-W350 HydrophobicContact CB-CZ2 3.71Å; N287-W350 HydrophobicContact CB-CZ3 3.37Å; N287-W350 VanDerWaalsContact CG-CZ2 3.46Å; N287-W350 WeakPolarHBondContact ND2-CZ2 3.23Å
288L98.4Very high95.4Very high4 Ų421.1 Ų21.12%0.02111%0.105CC..PPolyproline II helixtrans-79.1139.9164-60.1171.8000108.6Y118 L271 M272 C292 L293 L296Y118-L288 VanDerWaalsContact OH-CG 3.31Å; Y118-L288 WeakPolarHBondContact OH-CG 3.4Å; L271-L288 HydrophobicContact CB-CD2 4.12Å; L271-L288 HydrophobicContact CD2-CD2 4.37Å; M272-L288 HydrophobicContact CG-CD2 3.7Å; L288-C292 HydrophobicContact CB-CB 4.02Å; L288-C292 HydrophobicContact CD2-CB 3.94Å; L288-C292 HydrophobicContact CG-CB 4.42Å; L288-L293 HydrophobicContact CB-CB 4.03Å; L288-L293 HydrophobicContact CD1-CD1 4.39Å; L288-L296 HydrophobicContact CD1-CB 4.03Å; L288-L296 HydrophobicContact CD1-CD2 3.68Å
289C98.1Very high95.9Very high0 Ų020.7 Ų20.70%011%0.105CC..PPolyproline II helixtrans-66.5164.5163.174.20000110.5L268 C270 I291 C292 L293L268-C289 HydrophobicContact CB-CB 3.68Å; L268-C289 HydrophobicContact CD1-CB 4.18Å; C270-C289 HydrophobicContact CB-CB 3.98Å; C270-C289 PolarHBondContact SG-N 2.76Å; C270-C289 VanDerWaalsContact SG-N 3.38Å; C289-I291 PolarHBondContact O-N 2.88Å; C289-I291 VanDerWaalsContact O-N 3.13Å; C289-C292 PolarHBondContact O-N 2.76Å; C289-L293 WeakPolarHBondContact O-CB 3.42Å; C289-L293 PolarHBondContact O-N 3.3Å
290P98.3Very high96.2Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-58.1-34.1-174.3-3445.8000113.8L15 M37 A40 F48 L293 R294L15-P290 HydrophobicContact CD1-CB 4.18Å; L15-P290 WeakPolarHBondContact CD1-O 3.17Å; L15-P290 HydrophobicContact CD2-CB 4.15Å; M37-P290 HydrophobicContact CB-CB 4.16Å; M37-P290 HydrophobicContact CG-CB 4.26Å; M37-P290 WeakPolarHBondContact O-CB 3.46Å; A40-P290 HydrophobicContact CB-CB 4.1Å; A40-P290 HydrophobicContact CB-CG 3.85Å; F48-P290 HydrophobicContact CB-CG 4.45Å; F48-P290 VanDerWaalsContact CD1-CD 3.43Å; F48-P290 HydrophobicContact CD1-CG 3.83Å; F48-P290 HydrophobicContact CD2-CG 3.54Å; F48-P290 HydrophobicContact CE1-CG 3.79Å; F48-P290 HydrophobicContact CE2-CG 3.56Å; F48-P290 HydrophobicContact CG-CG 3.67Å; F48-P290 HydrophobicContact CZ-CG 3.67Å; P290-L293 PolarHBondContact O-N 3.46Å; P290-R294 WeakPolarHBondContact O-CB 3.36Å; P290-R294 PolarHBondContact O-N 2.97Å
291I98.6Very high96.3Very high0 Ų019.9 Ų19.90%012%0.12CC..Hα-helixtrans-63.2-52.2176.2-58.785.8000110.4L11 A14 L15 W267 L268 C289 R294 K295L11-I291 HydrophobicContact CD2-CD1 4.49Å; A14-I291 HydrophobicContact CB-CG1 4.35Å; L15-I291 HydrophobicContact CB-CG1 4.1Å; L15-I291 HydrophobicContact CD1-CG1 4.33Å; W267-I291 HydrophobicContact CB-CD1 3.9Å; W267-I291 HydrophobicContact CB-CG1 4.44Å; W267-I291 HydrophobicContact CG-CD1 4.29Å; W267-I291 HydrophobicContact CG-CG1 4.32Å; L268-I291 HydrophobicContact CD1-CD1 4.08Å; C289-I291 PolarHBondContact O-N 2.88Å; C289-I291 VanDerWaalsContact O-N 3.13Å; I291-R294 PolarHBondContact O-N 3.28Å; I291-K295 VanDerWaalsContact O-CG 3.31Å; I291-K295 WeakPolarHBondContact O-CG 3.16Å; I291-K295 PolarHBondContact O-N 3.14Å; I291-K295 VanDerWaalsContact O-N 3.08Å
292C98.7Very high96.6Very high0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-69.7-32.3178.9-71.70000112.7L262 L288 C289 K295 L296L262-C292 HydrophobicContact CD2-CB 4.09Å; L288-C292 HydrophobicContact CB-CB 4.02Å; L288-C292 HydrophobicContact CD2-CB 3.94Å; L288-C292 HydrophobicContact CG-CB 4.42Å; C289-C292 PolarHBondContact O-N 2.76Å; C292-K295 PolarHBondContact O-N 3.27Å; C292-L296 PolarHBondContact O-N 3.41Å
293L98.6Very high96.8Very high1 Ų119 Ų191%0.00512%0.117CC..Hα-helixtrans-63.4-46.5174.4-176.759.6000110.4M37 L288 C289 P290 K295 L296 Q297 F302 I304M37-L293 HydrophobicContact CE-CG 4.4Å; L288-L293 HydrophobicContact CB-CB 4.03Å; L288-L293 HydrophobicContact CD1-CD1 4.39Å; C289-L293 WeakPolarHBondContact O-CB 3.42Å; C289-L293 PolarHBondContact O-N 3.3Å; P290-L293 PolarHBondContact O-N 3.46Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.38Å; L293-L296 PolarHBondContact O-N 2.98Å; L293-Q297 VanDerWaalsContact O-CB 3.26Å; L293-Q297 WeakPolarHBondContact O-CB 3.41Å; L293-Q297 PolarHBondContact O-N 3.29Å; L293-F302 HydrophobicContact CD1-CE2 4.19Å; L293-F302 HydrophobicContact CD1-CZ 4.16Å; L293-I304 HydrophobicContact CD2-CD1 3.95Å; L293-I304 HydrophobicContact CD2-CG2 4.21Å; L293-I304 HydrophobicContact CG-CD1 4.24Å
294R98.3Very high97Very high6 Ų614.3 Ų14.32%0.02310%0.099CC..Hα-helixtrans-59.6-43174.5-167.3-171169.1179.30.3111.9L15 I16 L22 M37 F70 P290 I291 Q297 C298L15-R294 HydrophobicContact CD1-CB 3.98Å; L15-R294 VanDerWaalsContact O-CD 3.23Å; L15-R294 WeakPolarHBondContact O-CD 3.45Å; L15-R294 PolarHBondContact O-NH1 3.41Å; I16-R294 VanDerWaalsContact C-NH1 3.31Å; I16-R294 PolarHBondContact O-NH1 3.05Å; L22-R294 PolarHBondContact O-NH2 2.82Å; M37-R294 HydrophobicContact CE-CB 3.91Å; M37-R294 HydrophobicContact CE-CG 4.26Å; M37-R294 HydrophobicContact SD-CB 3.81Å; M37-R294 HydrophobicContact SD-CG 4.12Å; F70-R294 HydrophobicContact CD2-CB 4.1Å; F70-R294 HydrophobicContact CD2-CG 3.69Å; F70-R294 HydrophobicContact CE2-CB 4.31Å; F70-R294 HydrophobicContact CE2-CG 3.59Å; F70-R294 HydrophobicContact CG-CG 4.42Å; F70-R294 HydrophobicContact CZ-CG 4.23Å; P290-R294 WeakPolarHBondContact O-CB 3.36Å; P290-R294 PolarHBondContact O-N 2.97Å; I291-R294 PolarHBondContact O-N 3.28Å; R294-Q297 PolarHBondContact O-N 2.69Å; R294-C298 WeakPolarHBondContact O-CB 3.48Å; R294-C298 PolarHBondContact O-N 3.3Å
295K98.3Very high97.2Very high2 Ų214.9 Ų14.91%0.00911%0.105CC..Hα-helixtrans-58.1-50.6176.2-69.7175.6-176.9177.60111.7Q68 D69 F70 F73 L262 I291 C292 L293 C298 A299Q68-K295 PolarHBondContact O-NZ 3.48Å; D69-K295 WeakPolarHBondContact O-CE 3.38Å; F70-K295 HydrophobicContact CD2-CG 3.99Å; F73-K295 HydrophobicContact CB-CD 3.77Å; F73-K295 HydrophobicContact CB-CG 3.87Å; F73-K295 HydrophobicContact CD1-CB 3.68Å; F73-K295 HydrophobicContact CD1-CD 4.19Å; F73-K295 HydrophobicContact CD1-CG 3.51Å; F73-K295 HydrophobicContact CD2-CB 4.24Å; F73-K295 HydrophobicContact CD2-CD 3.98Å; F73-K295 HydrophobicContact CD2-CG 4.16Å; F73-K295 HydrophobicContact CE1-CB 3.6Å; F73-K295 HydrophobicContact CE1-CG 4Å; F73-K295 VanDerWaalsContact CE1-O 3.23Å; F73-K295 WeakPolarHBondContact CE1-O 3.34Å; F73-K295 HydrophobicContact CE2-CB 4.18Å; F73-K295 HydrophobicContact CG-CB 3.98Å; F73-K295 HydrophobicContact CG-CD 3.72Å; F73-K295 HydrophobicContact CG-CG 3.57Å; F73-K295 HydrophobicContact CZ-CB 3.85Å; F73-K295 WeakPolarHBondContact CZ-O 3.22Å; L262-K295 HydrophobicContact CD1-CB 4.35Å; L262-K295 HydrophobicContact CG-CB 4.26Å; L262-K295 HydrophobicContact CG-CD 4.27Å; I291-K295 VanDerWaalsContact O-CG 3.31Å; I291-K295 WeakPolarHBondContact O-CG 3.16Å; I291-K295 PolarHBondContact O-N 3.14Å; I291-K295 VanDerWaalsContact O-N 3.08Å; C292-K295 PolarHBondContact O-N 3.27Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.38Å; K295-C298 PolarHBondContact O-N 2.75Å; K295-A299 PolarHBondContact O-N 2.62Å; K295-A299 VanDerWaalsContact O-N 3.1Å
296L97.9Very high97.3Very high2 Ų216.4 Ų16.41%0.0111%0.109CC..Hα-helixtrans-67.9-42.1-179.1-171.467.9000111.6Y118 F119 F260 L288 C292 L293 C298 A299 V300 F302Y118-L296 HydrophobicContact CE1-CD2 4.27Å; F119-L296 HydrophobicContact CD1-CD1 4.17Å; F119-L296 HydrophobicContact CD1-CD2 4.17Å; F119-L296 HydrophobicContact CE1-CD1 4.07Å; F119-L296 HydrophobicContact CE1-CD2 4.11Å; F260-L296 HydrophobicContact CB-CD1 4.48Å; F260-L296 HydrophobicContact CD1-CD1 4.15Å; F260-L296 HydrophobicContact CD2-CD1 3.66Å; F260-L296 HydrophobicContact CE1-CD1 4.25Å; F260-L296 HydrophobicContact CE2-CD1 3.8Å; F260-L296 HydrophobicContact CG-CD1 3.85Å; F260-L296 HydrophobicContact CZ-CD1 4.08Å; L288-L296 HydrophobicContact CD1-CB 4.03Å; L288-L296 HydrophobicContact CD1-CD2 3.68Å; C292-L296 PolarHBondContact O-N 3.41Å; L293-L296 PolarHBondContact O-N 2.98Å; L296-C298 VanDerWaalsContact C-N 3.32Å; L296-C298 PolarHBondContact O-N 3.32Å; L296-A299 PolarHBondContact O-N 3.21Å; L296-A299 VanDerWaalsContact O-N 3.12Å; L296-V300 HydrophobicContact CD1-CG2 4.06Å; L296-V300 HydrophobicContact CG-CG2 4.35Å; L296-V300 WeakPolarHBondContact O-CG2 3.19Å; L296-V300 PolarHBondContact O-N 3.25Å; L296-F302 HydrophobicContact CB-CE1 4.47Å; L296-F302 HydrophobicContact CB-CZ 4.43Å; L296-F302 HydrophobicContact CD2-CE1 3.96Å; L296-F302 HydrophobicContact CD2-CZ 4.21Å; L296-F302 HydrophobicContact CG-CE1 3.84Å; L296-F302 HydrophobicContact CG-CZ 4.22Å
297Q97.4Very high97.4Very high17 Ų1716.1 Ų16.18%0.07911%0.107CC..Hα-helixtrans-59.1-44.2175.2-170.6-168.822.900111E33 L293 R294 A299 V300 G301 F302E33-Q297 VanDerWaalsContact CD-NE2 3.26Å; E33-Q297 PolarHBondContact OE1-NE2 3.01Å; E33-Q297 PolarHBondContact OE2-NE2 3.06Å; L293-Q297 VanDerWaalsContact O-CB 3.26Å; L293-Q297 WeakPolarHBondContact O-CB 3.41Å; L293-Q297 PolarHBondContact O-N 3.29Å; R294-Q297 PolarHBondContact O-N 2.69Å; Q297-A299 VanDerWaalsContact C-N 3.27Å; Q297-A299 PolarHBondContact O-N 2.73Å; Q297-V300 PolarHBondContact O-N 2.88Å; Q297-G301 VanDerWaalsContact O-CA 3.3Å; Q297-G301 WeakPolarHBondContact O-CA 3.34Å; Q297-G301 PolarHBondContact O-N 3.4Å; Q297-F302 HydrophobicContact CB-CD2 4.5Å; Q297-F302 HydrophobicContact CB-CE2 3.89Å; Q297-F302 HydrophobicContact CB-CZ 3.99Å; Q297-F302 HydrophobicContact CG-CD2 4.17Å; Q297-F302 HydrophobicContact CG-CE2 4.01Å; Q297-F302 WeakPolarHBondContact CG-O 3.49Å; Q297-F302 PolarHBondContact NE2-O 2.77Å
298C96.1Very high97.6Very high36 Ų3615.6 Ų15.624%0.24310%0.104CC..Hα-helixtrans-62.1-34.2176.1179.20000112.5F70 R294 K295 L296F70-C298 HydrophobicContact CE2-CB 3.79Å; F70-C298 HydrophobicContact CZ-CB 3.97Å; R294-C298 WeakPolarHBondContact O-CB 3.48Å; R294-C298 PolarHBondContact O-N 3.3Å; K295-C298 PolarHBondContact O-N 2.75Å; L296-C298 VanDerWaalsContact C-N 3.32Å; L296-C298 PolarHBondContact O-N 3.32Å
299A95.4Very high97.6Very high10 Ų1019 Ų198%0.08312%0.119CC..Hα-helixtrans-78-37.3-179.800000112.8F73 T81 P82 F260 K295 L296 Q297F73-A299 HydrophobicContact CZ-CB 4.33Å; T81-A299 HydrophobicContact CG2-CB 4.21Å; P82-A299 WeakPolarHBondContact CD-O 3.46Å; F260-A299 HydrophobicContact CD1-CB 3.79Å; F260-A299 HydrophobicContact CE1-CB 4.33Å; K295-A299 PolarHBondContact O-N 2.62Å; K295-A299 VanDerWaalsContact O-N 3.1Å; L296-A299 PolarHBondContact O-N 3.21Å; L296-A299 VanDerWaalsContact O-N 3.12Å; Q297-A299 VanDerWaalsContact C-N 3.27Å; Q297-A299 PolarHBondContact O-N 2.73Å
300V95.6Very high97.6Very high27 Ų2719.5 Ų19.516%0.16412%0.122CC..Hα-helixtrans-100.5-31.6-172.1-178.30000113Y120 L122 F260 L296 Q297 F302Y120-V300 VanDerWaalsContact O-CG1 3.27Å; Y120-V300 WeakPolarHBondContact O-CG1 3.31Å; L122-V300 HydrophobicContact CD1-CG2 4.37Å; L122-V300 HydrophobicContact CD2-CG1 4.14Å; L122-V300 HydrophobicContact CG-CG1 3.94Å; F260-V300 HydrophobicContact CD1-CG2 4.38Å; F260-V300 HydrophobicContact CE1-CG2 3.5Å; F260-V300 VanDerWaalsContact CE1-CG2 3.5Å; F260-V300 HydrophobicContact CZ-CG2 3.74Å; L296-V300 HydrophobicContact CD1-CG2 4.06Å; L296-V300 HydrophobicContact CG-CG2 4.35Å; L296-V300 WeakPolarHBondContact O-CG2 3.19Å; L296-V300 PolarHBondContact O-N 3.25Å; Q297-V300 PolarHBondContact O-N 2.88Å; V300-F302 HydrophobicContact CB-CD1 3.74Å; V300-F302 HydrophobicContact CB-CE1 4.13Å; V300-F302 HydrophobicContact CG1-CD1 3.77Å; V300-F302 HydrophobicContact CG2-CD1 4.48Å; V300-F302 HydrophobicContact CG2-CE1 4.48Å
301G95.1Very high97.6Very high65 Ų6519.5 Ų19.567%0.6712%0.123SC*.  trans7924.7-178.600000114.9Q297Q297-G301 VanDerWaalsContact O-CA 3.3Å; Q297-G301 WeakPolarHBondContact O-CA 3.34Å; Q297-G301 PolarHBondContact O-N 3.4Å
302F96.3Very high97.6Very high10 Ų1020.6 Ų20.64%0.04413%0.129CC..  trans-78.515617858.5-110.9000113.4Y120 L293 L296 Q297 V300 I304 R307Y120-F302 HydrophobicContact CD1-CB 4.04Å; Y120-F302 WeakPolarHBondContact O-CB 3.22Å; L293-F302 HydrophobicContact CD1-CE2 4.19Å; L293-F302 HydrophobicContact CD1-CZ 4.16Å; L296-F302 HydrophobicContact CB-CE1 4.47Å; L296-F302 HydrophobicContact CB-CZ 4.43Å; L296-F302 HydrophobicContact CD2-CE1 3.96Å; L296-F302 HydrophobicContact CD2-CZ 4.21Å; L296-F302 HydrophobicContact CG-CE1 3.84Å; L296-F302 HydrophobicContact CG-CZ 4.22Å; Q297-F302 HydrophobicContact CB-CD2 4.5Å; Q297-F302 HydrophobicContact CB-CE2 3.89Å; Q297-F302 HydrophobicContact CB-CZ 3.99Å; Q297-F302 HydrophobicContact CG-CD2 4.17Å; Q297-F302 HydrophobicContact CG-CE2 4.01Å; Q297-F302 WeakPolarHBondContact CG-O 3.49Å; Q297-F302 PolarHBondContact NE2-O 2.77Å; V300-F302 HydrophobicContact CB-CD1 3.74Å; V300-F302 HydrophobicContact CB-CE1 4.13Å; V300-F302 HydrophobicContact CG1-CD1 3.77Å; V300-F302 HydrophobicContact CG2-CD1 4.48Å; V300-F302 HydrophobicContact CG2-CE1 4.48Å; F302-I304 HydrophobicContact CD2-CG1 4.47Å; F302-I304 HydrophobicContact CE2-CG1 4.13Å; F302-R307 HydrophobicContact CD2-CB 4.13Å; F302-R307 VanDerWaalsContact CZ-CD 3.48Å
303S97.1Very high97.5Very high47 Ų4726.7 Ų26.733%0.32915%0.152SC..  trans-78.6129.7161.1174.40000110.3V305 E306 R307S303-V305 VanDerWaalsContact C-N 3.33Å; S303-V305 PolarHBondContact O-N 3.48Å; S303-V305 VanDerWaalsContact OG-CG1 3.32Å; S303-V305 WeakPolarHBondContact OG-CG1 3.41Å; S303-E306 PolarHBondContact O-N 2.96Å; S303-R307 WeakPolarHBondContact O-CB 3.49Å; S303-R307 PolarHBondContact O-N 3.33Å
304I98.1Very high97.5Very high0 Ų027.6 Ų27.60%016%0.156CC..Hα-helixtrans-64.9-39.8-177.8-60173.3000110.6E33 L36 M37 L293 F302 E306 R307 Y308 L358E33-I304 HydrophobicContact CB-CD1 4Å; E33-I304 HydrophobicContact CG-CB 4.2Å; E33-I304 HydrophobicContact CG-CD1 3.88Å; E33-I304 HydrophobicContact CG-CG1 4.18Å; E33-I304 WeakPolarHBondContact OE1-CG1 2.99Å; E33-I304 PolarHBondContact OE1-N 2.77Å; L36-I304 HydrophobicContact CD2-CG2 3.87Å; M37-I304 HydrophobicContact CE-CD1 3.53Å; L293-I304 HydrophobicContact CD2-CD1 3.95Å; L293-I304 HydrophobicContact CD2-CG2 4.21Å; L293-I304 HydrophobicContact CG-CD1 4.24Å; F302-I304 HydrophobicContact CD2-CG1 4.47Å; F302-I304 HydrophobicContact CE2-CG1 4.13Å; I304-E306 PolarHBondContact O-N 3.25Å; I304-R307 PolarHBondContact O-N 2.83Å; I304-Y308 HydrophobicContact CG2-CD2 3.93Å; I304-Y308 HydrophobicContact CG2-CE1 4.38Å; I304-Y308 HydrophobicContact CG2-CE2 3.67Å; I304-Y308 HydrophobicContact CG2-CG 4.36Å; I304-Y308 WeakPolarHBondContact O-CB 3.24Å; I304-Y308 PolarHBondContact O-N 3.22Å; I304-L358 HydrophobicContact CB-CD2 4.45Å; I304-L358 HydrophobicContact CG2-CD1 4.01Å; I304-L358 HydrophobicContact CG2-CD2 4.4Å
305V97.9Very high97.4Very high31 Ų3127.7 Ų27.719%0.18816%0.157CC..Hα-helixtrans-62.9-43.5179.768.60000111.5S303 Y308 K309 L355 L358S303-V305 VanDerWaalsContact C-N 3.33Å; S303-V305 PolarHBondContact O-N 3.48Å; S303-V305 VanDerWaalsContact OG-CG1 3.32Å; S303-V305 WeakPolarHBondContact OG-CG1 3.41Å; V305-Y308 PolarHBondContact O-N 3.21Å; V305-K309 HydrophobicContact CG2-CD 4.48Å; V305-K309 WeakPolarHBondContact O-CG 2.99Å; V305-K309 PolarHBondContact O-N 2.91Å; V305-L355 HydrophobicContact CG2-CD2 3.72Å; V305-L358 HydrophobicContact CB-CD1 4.16Å
306E98.1Very high97.2Very high61 Ų6131.3 Ų31.329%0.28518%0.176SC..Hα-helixtrans-70.4-38.1179.8-67.6-52.512200112.2Y120 S303 I304 K309 A310Y120-E306 HydrophobicContact CD1-CB 4.45Å; Y120-E306 HydrophobicContact CE1-CB 3.81Å; S303-E306 PolarHBondContact O-N 2.96Å; I304-E306 PolarHBondContact O-N 3.25Å; E306-K309 PolarHBondContact O-N 3.41Å; E306-K309 IonicContact OE1-NZ 2.75Å; E306-K309 PolarHBondContact OE1-NZ 3.44Å; E306-A310 WeakPolarHBondContact O-CB 3.49Å; E306-A310 PolarHBondContact O-N 2.74Å
307R98.2Very high96.7Very high4 Ų435.6 Ų35.62%0.01520%0.199CC..Hα-helixtrans-59.2-48.2172179.8180176.9-79.9-8.9111.6Y118 Y120 F302 S303 I304 A310 L311Y118-R307 VanDerWaalsContact CD2-NH2 3.31Å; Y118-R307 VanDerWaalsContact CE2-NH2 3.25Å; Y118-R307 VanDerWaalsContact CG-NH2 3.29Å; Y118-R307 PolarHBondContact O-NE 3.37Å; Y118-R307 PolarHBondContact O-NH2 3.14Å; Y118-R307 VanDerWaalsContact O-NH2 3.16Å; Y120-R307 HydrophobicContact CG-CB 4.3Å; F302-R307 HydrophobicContact CD2-CB 4.13Å; F302-R307 VanDerWaalsContact CZ-CD 3.48Å; S303-R307 WeakPolarHBondContact O-CB 3.49Å; S303-R307 PolarHBondContact O-N 3.33Å; I304-R307 PolarHBondContact O-N 2.83Å; R307-A310 WeakPolarHBondContact O-CB 3.12Å; R307-A310 PolarHBondContact O-N 2.96Å; R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 3.09Å
308Y98.6Very high95.2Very high4 Ų441.5 Ų41.52%0.01623%0.227CC..Hα-helixtrans-66.5-39.6179.4-78.2-4.3000112.9L36 I304 V305 A310 L311 V312 W350 I351 C354 L358L36-Y308 HydrophobicContact CD2-CE2 3.77Å; I304-Y308 HydrophobicContact CG2-CD2 3.93Å; I304-Y308 HydrophobicContact CG2-CE1 4.38Å; I304-Y308 HydrophobicContact CG2-CE2 3.67Å; I304-Y308 HydrophobicContact CG2-CG 4.36Å; I304-Y308 WeakPolarHBondContact O-CB 3.24Å; I304-Y308 PolarHBondContact O-N 3.22Å; V305-Y308 PolarHBondContact O-N 3.21Å; Y308-A310 VanDerWaalsContact C-N 3.32Å; Y308-A310 PolarHBondContact O-N 3.02Å; Y308-L311 HydrophobicContact CD1-CD1 4.15Å; Y308-L311 PolarHBondContact O-N 3.36Å; Y308-V312 WeakPolarHBondContact O-CG2 3.1Å; Y308-V312 PolarHBondContact O-N 3.17Å; Y308-W350 HydrophobicContact CE1-CZ3 4.47Å; Y308-W350 WeakPolarHBondContact OH-CH2 3.33Å; Y308-I351 HydrophobicContact CD1-CG2 4.41Å; Y308-I351 HydrophobicContact CD2-CG2 4.32Å; Y308-I351 HydrophobicContact CG-CG2 3.89Å; Y308-C354 HydrophobicContact CD2-CB 3.82Å; Y308-C354 HydrophobicContact CE2-CB 3.48Å; Y308-C354 VanDerWaalsContact CE2-CB 3.48Å; Y308-L358 HydrophobicContact CD2-CD1 3.88Å; Y308-L358 HydrophobicContact CE2-CD1 4.32Å
309K98.4Very high93.3Very high77 Ų7741.3 Ų41.334%0.33523%0.226SC..Hα-helixtrans-60.8-39.7170.2-72.7172.5-177.2166.60112.3V305 E306 L311 V312 R313 L355V305-K309 HydrophobicContact CG2-CD 4.48Å; V305-K309 WeakPolarHBondContact O-CG 2.99Å; V305-K309 PolarHBondContact O-N 2.91Å; E306-K309 PolarHBondContact O-N 3.41Å; E306-K309 IonicContact OE1-NZ 2.75Å; E306-K309 PolarHBondContact OE1-NZ 3.44Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-V312 PolarHBondContact O-N 2.91Å; K309-R313 WeakPolarHBondContact O-CB 3.25Å; K309-R313 WeakPolarHBondContact O-CG 3.31Å; K309-R313 PolarHBondContact O-N 3.41Å; K309-R313 PolarHBondContact O-NE 3.34Å; K309-L355 HydrophobicContact CG-CD2 4.19Å
310A98.3Very high90.7Very high9 Ų945.4 Ų45.47%0.07425%0.254CS..Hα-helixtrans-63.8-39.2176.200000112.1A117 Y120 E306 R307 Y308 W314A117-A310 HydrophobicContact CB-CB 4.06Å; Y120-A310 HydrophobicContact CD2-CB 3.72Å; Y120-A310 HydrophobicContact CE2-CB 3.99Å; E306-A310 WeakPolarHBondContact O-CB 3.49Å; E306-A310 PolarHBondContact O-N 2.74Å; R307-A310 WeakPolarHBondContact O-CB 3.12Å; R307-A310 PolarHBondContact O-N 2.96Å; Y308-A310 VanDerWaalsContact C-N 3.32Å; Y308-A310 PolarHBondContact O-N 3.02Å; A310-W314 WeakPolarHBondContact O-CB 3.23Å; A310-W314 PolarHBondContact O-N 2.89Å
311L98.3Very high88Confident1 Ų147 Ų471%0.00528%0.276CS..Hα-helixtrans-65.5-44.1175.4-71.2174.4000112.2Y114 A117 Y118 R307 Y308 K309 W314 I315 W347 I351Y114-L311 HydrophobicContact CE2-CD2 4.29Å; A117-L311 HydrophobicContact CB-CD2 3.78Å; A117-L311 HydrophobicContact CB-CG 4.39Å; Y118-L311 HydrophobicContact CD2-CD2 4.24Å; R307-L311 WeakPolarHBondContact O-CG 3.29Å; R307-L311 PolarHBondContact O-N 3.09Å; Y308-L311 HydrophobicContact CD1-CD1 4.15Å; Y308-L311 PolarHBondContact O-N 3.36Å; K309-L311 VanDerWaalsContact C-N 3.34Å; L311-W314 PolarHBondContact O-N 3.19Å; L311-I315 WeakPolarHBondContact O-CG1 3.09Å; L311-I315 PolarHBondContact O-N 2.77Å; L311-I315 VanDerWaalsContact O-N 3.08Å; L311-W347 HydrophobicContact CB-CH2 4.35Å; L311-W347 HydrophobicContact CD1-CH2 4.02Å; L311-W347 HydrophobicContact CD1-CZ2 3.91Å; L311-W347 HydrophobicContact CD2-CH2 3.8Å; L311-W347 HydrophobicContact CD2-CZ2 4.47Å; L311-W347 HydrophobicContact CG-CH2 4.28Å; L311-I351 HydrophobicContact CB-CD1 3.93Å; L311-I351 HydrophobicContact CD1-CD1 4.33Å
312V98.3Very high85Confident23 Ų2350.4 Ų50.414%0.13928%0.284CS..Hα-helixtrans-62-46.3176173.10000111Y308 K309 W314 I315 D316 I351 L355Y308-V312 WeakPolarHBondContact O-CG2 3.1Å; Y308-V312 PolarHBondContact O-N 3.17Å; K309-V312 PolarHBondContact O-N 2.91Å; V312-W314 VanDerWaalsContact C-N 3.33Å; V312-W314 PolarHBondContact O-N 3.23Å; V312-I315 WeakPolarHBondContact O-CB 3.48Å; V312-I315 PolarHBondContact O-N 2.63Å; V312-D316 PolarHBondContact O-N 3.33Å; V312-I351 HydrophobicContact CG2-CB 4.15Å; V312-I351 HydrophobicContact CG2-CG2 3.61Å; V312-L355 HydrophobicContact CG2-CD1 4.34Å
313R97.7Very high82.4Confident128 Ų12856.1 Ų56.148%0.48332%0.322SS..Hα-helixtrans-57.2-46.4174.2-75.7-176.9-68.8175.9-4.2111.7K309 I315 D316 D317K309-R313 WeakPolarHBondContact O-CB 3.25Å; K309-R313 WeakPolarHBondContact O-CG 3.31Å; K309-R313 PolarHBondContact O-N 3.41Å; K309-R313 PolarHBondContact O-NE 3.34Å; R313-I315 PolarHBondContact O-N 3.49Å; R313-D316 PolarHBondContact O-N 2.96Å; R313-D316 VanDerWaalsContact O-N 3.08Å; R313-D317 WeakPolarHBondContact O-CB 3.4Å; R313-D317 PolarHBondContact O-N 3.16Å
314W97.3Very high79.5Confident19 Ų1957.4 Ų57.47%0.07234%0.342CS..Hα-helixtrans-58.8-34176.9176.284.2000112.5W110 Y114 A117 L245 A310 L311 V312 K339 F344W110-W314 HydrophobicContact CB-CZ2 4.27Å; W110-W314 WeakPolarHBondContact O-CZ2 3.16Å; W110-W314 PolarHBondContact O-NE1 3.05Å; Y114-W314 AromaticContact CD2-CD2 3.87Å; Y114-W314 HydrophobicContact CD2-CD2 3.87Å; Y114-W314 AromaticContact CD2-CE3 3.6Å; Y114-W314 HydrophobicContact CD2-CE3 3.6Å; Y114-W314 AromaticContact CD2-CH2 3.75Å; Y114-W314 HydrophobicContact CD2-CH2 3.75Å; Y114-W314 HydrophobicContact CD2-CZ2 4.02Å; Y114-W314 AromaticContact CD2-CZ3 3.55Å; Y114-W314 HydrophobicContact CD2-CZ3 3.55Å; Y114-W314 HydrophobicContact CE2-CE3 4.3Å; Y114-W314 HydrophobicContact CE2-CZ3 4.12Å; Y114-W314 HydrophobicContact CG-CH2 4.36Å; Y114-W314 HydrophobicContact CG-CZ2 4.28Å; Y114-W314 VanDerWaalsContact N-CD1 3.31Å; A117-W314 HydrophobicContact CB-CB 4.11Å; L245-W314 HydrophobicContact CD2-CH2 4.18Å; L245-W314 HydrophobicContact CD2-CZ2 4.48Å; L245-W314 HydrophobicContact CG-CH2 4.48Å; A310-W314 WeakPolarHBondContact O-CB 3.23Å; A310-W314 PolarHBondContact O-N 2.89Å; L311-W314 PolarHBondContact O-N 3.19Å; V312-W314 VanDerWaalsContact C-N 3.33Å; V312-W314 PolarHBondContact O-N 3.23Å; W314-K339 HydrophobicContact CH2-CD 4.44Å; W314-K339 HydrophobicContact CZ2-CD 4.01Å; W314-K339 WeakPolarHBondContact O-CE 3.48Å; W314-K339 PolarHBondContact O-NZ 2.66Å; W314-F344 AromaticContact CH2-CE1 3.9Å; W314-F344 HydrophobicContact CH2-CE1 3.9Å; W314-F344 HydrophobicContact CH2-CE2 4.4Å; W314-F344 AromaticContact CH2-CZ 3.79Å; W314-F344 HydrophobicContact CH2-CZ 3.79Å; W314-F344 AromaticContact CZ3-CD1 3.95Å; W314-F344 HydrophobicContact CZ3-CD1 3.95Å; W314-F344 AromaticContact CZ3-CE1 3.66Å; W314-F344 HydrophobicContact CZ3-CE1 3.66Å; W314-F344 AromaticContact CZ3-CZ 4Å; W314-F344 HydrophobicContact CZ3-CZ 4Å
315I96.6Very high76.4Confident9 Ų962.2 Ų62.25%0.04638%0.382CS..Hα-helixtrans-69-48.1174.9-63.3169.5000109.7L311 V312 R313 K339 V341 F344 W347 K348L311-I315 WeakPolarHBondContact O-CG1 3.09Å; L311-I315 PolarHBondContact O-N 2.77Å; L311-I315 VanDerWaalsContact O-N 3.08Å; V312-I315 WeakPolarHBondContact O-CB 3.48Å; V312-I315 PolarHBondContact O-N 2.63Å; R313-I315 PolarHBondContact O-N 3.49Å; I315-K339 WeakPolarHBondContact O-CE 3.12Å; I315-K339 PolarHBondContact O-NZ 3.49Å; I315-V341 HydrophobicContact CG2-CB 4.21Å; I315-V341 HydrophobicContact CG2-CG1 4.47Å; I315-V341 HydrophobicContact CG2-CG2 4.33Å; I315-F344 HydrophobicContact CD1-CB 4.32Å; I315-W347 HydrophobicContact CD1-CE3 3.8Å; I315-W347 HydrophobicContact CD1-CZ3 3.9Å; I315-W347 HydrophobicContact CG1-CZ3 4.43Å; I315-K348 HydrophobicContact CD1-CB 3.77Å; I315-K348 HydrophobicContact CD1-CG 4.18Å; I315-K348 HydrophobicContact CG2-CD 4.1Å
316D94.5Very high73.2Confident78 Ų7867.1 Ų67.142%0.41741%0.412SS..Hα-helixtrans-77.8-21.7-170.9-68.3-7000114.7V312 R313 E318 K348V312-D316 PolarHBondContact O-N 3.33Å; R313-D316 PolarHBondContact O-N 2.96Å; R313-D316 VanDerWaalsContact O-N 3.08Å; D316-E318 PolarHBondContact O-N 2.64Å; D316-K348 VanDerWaalsContact OD1-CE 3.22Å; D316-K348 WeakPolarHBondContact OD1-CE 3.43Å; D316-K348 IonicContact OD1-NZ 3.56Å; D316-K348 PolarHBondContact OD1-NZ 3.39Å; D316-K348 WeakPolarHBondContact OD2-CE 3.48Å; D316-K348 IonicContact OD2-NZ 2.77Å; D316-K348 PolarHBondContact OD2-NZ 3.19Å
317D88.1Confident70.2Confident91 Ų9170.1 Ų70.149%0.48744%0.437SS..  trans-6597.8179-73.6-12.8000109.3R313 S319 K339R313-D317 WeakPolarHBondContact O-CB 3.4Å; R313-D317 PolarHBondContact O-N 3.16Å; D317-S319 PolarHBondContact O-N 2.95Å; D317-K339 PolarHBondContact O-NZ 2.78Å
318E66.3Low67Low142 Ų14278.6 Ų78.666%0.66448%0.477SS*.  trans-52.3123.8154.3-66.4-67.2158.100105.8D316 S320D316-E318 PolarHBondContact O-N 2.64Å; E318-S320 VanDerWaalsContact C-N 3.27Å; E318-S320 WeakPolarHBondContact O-CB 3.35Å; E318-S320 PolarHBondContact O-N 3.44Å; E318-S320 PolarHBondContact O-OG 2.97Å
319S55.9Low64Low32 Ų3287.4 Ų87.422%0.22452%0.518CS..  trans-49.392.1-17840.40000110D317 N336 L337D317-S319 PolarHBondContact O-N 2.95Å; S319-N336 PolarHBondContact O-ND2 3.15Å; S319-L337 PolarHBondContact OG-O 2.83Å
320S39.8Very low60.9Low96 Ų9688.8 Ų88.867%0.67154%0.537SS*.  trans-110.5110.7-177.240.10000105.7E318 T322E318-S320 VanDerWaalsContact C-N 3.27Å; E318-S320 WeakPolarHBondContact O-CB 3.35Å; E318-S320 PolarHBondContact O-N 3.44Å; E318-S320 PolarHBondContact O-OG 2.97Å; S320-T322 PolarHBondContact O-N 3.09Å
321G40.2Very low58.1Low61 Ų61100.8 Ų100.863%0.62958%0.58SS**  trans-51.8136.6168.600000108.9
322T31.3Very low55.3Low136 Ų136109.1 Ų109.183%0.83462%0.619SS**  trans-54.8129.4176.4-35.40000109.4S320 G324S320-T322 PolarHBondContact O-N 3.09Å; T322-G324 PolarHBondContact O-N 3.44Å
323P40.7Very low52.4Low130 Ų130111.9 Ų111.984%0.84465%0.652SS**  trans-79.6105.1174.629.3-28.3000108.5
324G36.6Very low49.8Very low73 Ų73113.2 Ų113.275%0.75367%0.669SS**  trans-169.151.5-177.700000114.1T322T322-G324 PolarHBondContact O-N 3.44Å
325A32.4Very low47.5Very low102 Ų102114.5 Ų114.584%0.84369%0.688SS**SBendtrans-177145.4147.700000110.3
326T30.8Very low46Very low133 Ų133117.2 Ų117.282%0.81670%0.703SS**  trans-45.8153.6-174.137.10000117.6
327P35.4Very low45.4Very low124 Ų124116.4 Ų116.481%0.80570%0.698SS**  trans-90.8108.6-177.633.9-27.7000111.8
328E31.2Very low45.5Very low183 Ų183116.5 Ų116.586%0.85570%0.704SS**  trans-138.4115156.9-74.3-165.6163.500111.4
329H36.6Very low46.8Very low189 Ų189110.7 Ų110.788%0.87568%0.677SS**  trans34.496.4153.7-68.8-64.6000120.9
330S32.5Very low48.6Very low106 Ų106110 Ų11074%0.74167%0.671SS**  -166.2122.5128.5480000110.8E332S330-E332 PolarHBondContact O-N 2.95Å
331R39.4Very low51.3Low260 Ų260107.1 Ų107.198%0.98165%0.649SS**  trans-7189.9169.6-78175.3169.6169.7-3.8109.1
332E39.4Very low53.9Low176 Ų176110.3 Ų110.382%0.82265%0.648SS**  trans-128.3130.5154.8-75.4-172.6163.300107.2S330 N334S330-E332 PolarHBondContact O-N 2.95Å; E332-N334 PolarHBondContact O-N 3.15Å
333G37.9Very low57Low81 Ų81105.5 Ų105.584%0.83562%0.622SS**  trans-54.5121.7-170.600000111.6G335G333-G335 VanDerWaalsContact C-N 3.25Å; G333-G335 PolarHBondContact O-N 3.15Å
334N42.7Very low59.7Low156 Ų15699.3 Ų99.383%0.83458%0.582SS**  trans-70.285.1178-147.310.2000108.5E332 N336E332-N334 PolarHBondContact O-N 3.15Å; N334-N336 VanDerWaalsContact C-N 3.33Å; N334-N336 PolarHBondContact O-N 3.03Å
335G48.6Very low62.6Low46 Ų46102.4 Ų102.447%0.47458%0.575SS.*  trans-81.263.7-168.900000114G333 L337G333-G335 VanDerWaalsContact C-N 3.25Å; G333-G335 PolarHBondContact O-N 3.15Å; G335-L337 PolarHBondContact O-N 3.17Å
336N66.3Low65.6Low67 Ų67105.3 Ų105.336%0.35857%0.571SS.*  trans-79.3112.8168.1-78.5-2.2000109.2S319 N334S319-N336 PolarHBondContact O-ND2 3.15Å; N334-N336 VanDerWaalsContact C-N 3.33Å; N334-N336 PolarHBondContact O-N 3.03Å
337L81.9Confident68.7Low60 Ų6099.9 Ų99.931%0.31454%0.535SS..PPolyproline II helixtrans-67.4135.6169.3-73.3155.6000108.8I102 I103 E106 W110 S319 G335 K339I102-L337 HydrophobicContact CG2-CD1 4.12Å; I103-L337 HydrophobicContact CB-CD1 4.22Å; I103-L337 HydrophobicContact CD1-CD1 4.42Å; I103-L337 HydrophobicContact CG1-CD1 3.35Å; E106-L337 HydrophobicContact CB-CD1 4.43Å; E106-L337 HydrophobicContact CG-CB 4.37Å; E106-L337 HydrophobicContact CG-CD1 4.31Å; W110-L337 HydrophobicContact CH2-CB 4.26Å; W110-L337 HydrophobicContact CZ2-CB 4.2Å; W110-L337 WeakPolarHBondContact CZ2-O 3.26Å; S319-L337 PolarHBondContact OG-O 2.83Å; G335-L337 PolarHBondContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.31Å
338P89.1Confident71.7Confident94 Ų9496.6 Ų96.661%0.6151%0.508SS*.PPolyproline II helixtrans-64136.8175.627.3-33.5000109.5P340P338-P340 WeakPolarHBondContact O-CD 3.43Å
339K93.6Very high74.9Confident20 Ų2092.2 Ų92.29%0.08749%0.488CS..PPolyproline II helixtrans-72.1116.6177.5-173.4-178.670.6-131.10109.1W110 L245 W314 I315 D317 L337 V341W110-K339 HydrophobicContact CB-CD 4.33Å; W110-K339 HydrophobicContact CB-CG 4.39Å; W110-K339 HydrophobicContact CD2-CB 4.22Å; W110-K339 HydrophobicContact CD2-CD 4.49Å; W110-K339 HydrophobicContact CD2-CG 3.74Å; W110-K339 HydrophobicContact CE3-CG 4.37Å; W110-K339 HydrophobicContact CG-CB 4.44Å; W110-K339 HydrophobicContact CG-CD 3.93Å; W110-K339 HydrophobicContact CG-CG 3.7Å; W110-K339 HydrophobicContact CZ2-CB 4.15Å; L245-K339 HydrophobicContact CD2-CG 4.08Å; W314-K339 HydrophobicContact CH2-CD 4.44Å; W314-K339 HydrophobicContact CZ2-CD 4.01Å; W314-K339 WeakPolarHBondContact O-CE 3.48Å; W314-K339 PolarHBondContact O-NZ 2.66Å; I315-K339 WeakPolarHBondContact O-CE 3.12Å; I315-K339 PolarHBondContact O-NZ 3.49Å; D317-K339 PolarHBondContact O-NZ 2.78Å; L337-K339 PolarHBondContact O-N 3.31Å; K339-V341 HydrophobicContact CB-CG1 4.48Å; K339-V341 HydrophobicContact CD-CG1 4.02Å; K339-V341 HydrophobicContact CG-CG1 3.86Å; K339-V341 PolarHBondContact O-N 2.93Å; K339-V341 VanDerWaalsContact O-N 3.09Å
340P94.3Very high77.8Confident17 Ų1784.7 Ų84.711%0.1145%0.452CS..  trans-78.6102.1-174.132.9-35.2000109.6W110 S242 L245 P338W110-P340 HydrophobicContact CZ3-CG 4.05Å; S242-P340 VanDerWaalsContact CA-O 3.25Å; S242-P340 WeakPolarHBondContact CA-O 3.07Å; S242-P340 VanDerWaalsContact CB-C 3.46Å; S242-P340 WeakPolarHBondContact CB-O 3.45Å; L245-P340 HydrophobicContact CD2-CG 4.27Å; P338-P340 WeakPolarHBondContact O-CD 3.43Å
341V95.6Very high80.9Confident35 Ų3579.7 Ų79.721%0.21242%0.417CS..  trans-116.310.9-172.9-66.30000114.3I315 K339 A343 F344I315-V341 HydrophobicContact CG2-CB 4.21Å; I315-V341 HydrophobicContact CG2-CG1 4.47Å; I315-V341 HydrophobicContact CG2-CG2 4.33Å; K339-V341 HydrophobicContact CB-CG1 4.48Å; K339-V341 HydrophobicContact CD-CG1 4.02Å; K339-V341 HydrophobicContact CG-CG1 3.86Å; K339-V341 PolarHBondContact O-N 2.93Å; K339-V341 VanDerWaalsContact O-N 3.09Å; V341-A343 VanDerWaalsContact C-N 3.26Å; V341-A343 PolarHBondContact O-N 2.91Å; V341-F344 HydrophobicContact CB-CB 4.5Å; V341-F344 HydrophobicContact CB-CD2 4.23Å; V341-F344 HydrophobicContact CG1-CD2 4.42Å; V341-F344 WeakPolarHBondContact O-CB 3.32Å; V341-F344 PolarHBondContact O-N 2.67Å
342E96.5Very high83.7Confident129 Ų12971.4 Ų71.460%0.60339%0.391SS*.G310 helixtrans-59.3-40-175-54.271.5-142.900111.5S242 F344 K345S242-E342 WeakPolarHBondContact CB-OE2 3.11Å; S242-E342 PolarHBondContact OG-OE2 3.46Å; E342-F344 PolarHBondContact O-N 3.32Å; E342-K345 WeakPolarHBondContact O-CB 3.14Å; E342-K345 PolarHBondContact O-N 2.99Å
343A96.4Very high86.5Confident35 Ų3568.4 Ų68.429%0.28938%0.375SS..G310 helixtrans-65.8-14.4176.400000114.1V243 L246 V341V243-A343 HydrophobicContact CG2-CB 4.18Å; L246-A343 HydrophobicContact CB-CB 4.18Å; L246-A343 HydrophobicContact CD1-CB 3.92Å; L246-A343 WeakPolarHBondContact CD1-O 3.32Å; V341-A343 VanDerWaalsContact C-N 3.26Å; V341-A343 PolarHBondContact O-N 2.91Å
344F97.3Very high89.3Confident0 Ų064.6 Ų64.60%034%0.335CS..G310 helixtrans-90.4-4.4-179-67.2-103.7000113.3Y114 L245 L246 C249 L286 W314 I315 V341 E342 E346 W347 K348Y114-F344 HydrophobicContact CE2-CE1 4.16Å; L245-F344 HydrophobicContact CB-CE2 4.33Å; L245-F344 HydrophobicContact CD2-CE2 4.19Å; L245-F344 HydrophobicContact CD2-CZ 4.48Å; L245-F344 HydrophobicContact CG-CE2 4.03Å; L245-F344 HydrophobicContact CG-CZ 4.03Å; L246-F344 VanDerWaalsContact CA-CZ 3.42Å; L246-F344 HydrophobicContact CB-CD2 4.37Å; L246-F344 HydrophobicContact CB-CE1 4.45Å; L246-F344 HydrophobicContact CB-CE2 3.78Å; L246-F344 HydrophobicContact CB-CZ 3.84Å; L246-F344 HydrophobicContact CD1-CD1 4.46Å; L246-F344 HydrophobicContact CD1-CD2 4.41Å; L246-F344 HydrophobicContact CD1-CG 4.37Å; L246-F344 HydrophobicContact CG-CZ 4.42Å; C249-F344 HydrophobicContact CB-CE1 4.43Å; C249-F344 HydrophobicContact CB-CZ 4.36Å; L286-F344 HydrophobicContact CD1-CD1 3.97Å; L286-F344 HydrophobicContact CD1-CE1 4.05Å; W314-F344 AromaticContact CH2-CE1 3.9Å; W314-F344 HydrophobicContact CH2-CE1 3.9Å; W314-F344 HydrophobicContact CH2-CE2 4.4Å; W314-F344 AromaticContact CH2-CZ 3.79Å; W314-F344 HydrophobicContact CH2-CZ 3.79Å; W314-F344 AromaticContact CZ3-CD1 3.95Å; W314-F344 HydrophobicContact CZ3-CD1 3.95Å; W314-F344 AromaticContact CZ3-CE1 3.66Å; W314-F344 HydrophobicContact CZ3-CE1 3.66Å; W314-F344 AromaticContact CZ3-CZ 4Å; W314-F344 HydrophobicContact CZ3-CZ 4Å; I315-F344 HydrophobicContact CD1-CB 4.32Å; V341-F344 HydrophobicContact CB-CB 4.5Å; V341-F344 HydrophobicContact CB-CD2 4.23Å; V341-F344 HydrophobicContact CG1-CD2 4.42Å; V341-F344 WeakPolarHBondContact O-CB 3.32Å; V341-F344 PolarHBondContact O-N 2.67Å; E342-F344 PolarHBondContact O-N 3.32Å; F344-E346 PolarHBondContact O-N 3.41Å; F344-W347 AromaticContact CD1-CE3 3.68Å; F344-W347 HydrophobicContact CD1-CE3 3.68Å; F344-W347 AromaticContact CD1-CZ3 3.84Å; F344-W347 HydrophobicContact CD1-CZ3 3.84Å; F344-W347 HydrophobicContact CE1-CE3 4.44Å; F344-W347 HydrophobicContact CE1-CZ3 4.28Å; F344-W347 PolarHBondContact O-N 3.25Å; F344-W347 VanDerWaalsContact O-N 3.16Å; F344-K348 PolarHBondContact O-N 3.19Å
345K96.6Very high92Very high138 Ų13858.1 Ų58.160%0.630%0.301SS*.Hα-helixtrans-53.4-54.8-173.6-178.5-177.9173.8-174.40113.2E342 W347 K348 E349E342-K345 WeakPolarHBondContact O-CB 3.14Å; E342-K345 PolarHBondContact O-N 2.99Å; K345-W347 VanDerWaalsContact C-N 3.25Å; K345-W347 PolarHBondContact O-N 3.33Å; K345-K348 WeakPolarHBondContact O-CB 3.33Å; K345-K348 PolarHBondContact O-N 3.05Å; K345-E349 WeakPolarHBondContact CE-OE1 2.89Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 2.96Å
346E95.6Very high94.3Very high163 Ų16358.2 Ų58.276%0.76230%0.297SS*.Hα-helixtrans-61.3-37.8-178.9-64.9-177.2175.200111.7F344 E349 W350F344-E346 PolarHBondContact O-N 3.41Å; E346-E349 PolarHBondContact O-N 3.18Å; E346-W350 WeakPolarHBondContact O-CB 3.15Å; E346-W350 PolarHBondContact O-N 3.46Å
347W96.6Very high95.7Very high18 Ų1856 Ų567%0.06829%0.286CS..Hα-helixtrans-70.2-38177.8-177.554.2000112.4Y114 L286 L311 I315 F344 K345 W350 I351Y114-W347 HydrophobicContact CD2-CH2 4.47Å; Y114-W347 AromaticContact CE2-CH2 3.3Å; Y114-W347 HydrophobicContact CE2-CH2 3.3Å; Y114-W347 HydrophobicContact CE2-CZ2 4.42Å; Y114-W347 AromaticContact CE2-CZ3 3.5Å; Y114-W347 HydrophobicContact CE2-CZ3 3.5Å; Y114-W347 AromaticContact CZ-CH2 3.6Å; Y114-W347 WeakPolarHBondContact OH-CH2 3.4Å; Y114-W347 WeakPolarHBondContact OH-CZ2 3.42Å; L286-W347 HydrophobicContact CB-CD2 3.75Å; L286-W347 VanDerWaalsContact CB-CE2 3.45Å; L286-W347 HydrophobicContact CB-CG 3.85Å; L286-W347 HydrophobicContact CB-CZ2 3.96Å; L286-W347 HydrophobicContact CD1-CB 4.11Å; L286-W347 HydrophobicContact CD1-CD2 3.47Å; L286-W347 VanDerWaalsContact CD1-CD2 3.47Å; L286-W347 HydrophobicContact CD1-CE3 3.55Å; L286-W347 HydrophobicContact CD1-CG 3.77Å; L286-W347 HydrophobicContact CD1-CZ2 4.47Å; L286-W347 HydrophobicContact CD1-CZ3 4.1Å; L286-W347 HydrophobicContact CG-CD2 4.28Å; L286-W347 HydrophobicContact CG-CG 4.44Å; L311-W347 HydrophobicContact CB-CH2 4.35Å; L311-W347 HydrophobicContact CD1-CH2 4.02Å; L311-W347 HydrophobicContact CD1-CZ2 3.91Å; L311-W347 HydrophobicContact CD2-CH2 3.8Å; L311-W347 HydrophobicContact CD2-CZ2 4.47Å; L311-W347 HydrophobicContact CG-CH2 4.28Å; I315-W347 HydrophobicContact CD1-CE3 3.8Å; I315-W347 HydrophobicContact CD1-CZ3 3.9Å; I315-W347 HydrophobicContact CG1-CZ3 4.43Å; F344-W347 AromaticContact CD1-CE3 3.68Å; F344-W347 HydrophobicContact CD1-CE3 3.68Å; F344-W347 AromaticContact CD1-CZ3 3.84Å; F344-W347 HydrophobicContact CD1-CZ3 3.84Å; F344-W347 HydrophobicContact CE1-CE3 4.44Å; F344-W347 HydrophobicContact CE1-CZ3 4.28Å; F344-W347 PolarHBondContact O-N 3.25Å; F344-W347 VanDerWaalsContact O-N 3.16Å; K345-W347 VanDerWaalsContact C-N 3.25Å; K345-W347 PolarHBondContact O-N 3.33Å; W347-W350 WeakPolarHBondContact O-CB 3.38Å; W347-W350 PolarHBondContact O-N 3.05Å; W347-I351 HydrophobicContact CD2-CD1 3.85Å; W347-I351 HydrophobicContact CE3-CD1 4.06Å; W347-I351 HydrophobicContact CG-CD1 4.43Å; W347-I351 HydrophobicContact CH2-CD1 4.14Å; W347-I351 HydrophobicContact CZ2-CD1 3.9Å; W347-I351 HydrophobicContact CZ3-CD1 4.19Å; W347-I351 VanDerWaalsContact O-CG1 3.3Å; W347-I351 WeakPolarHBondContact O-CG1 3.26Å; W347-I351 PolarHBondContact O-N 2.81Å
348K97.8Very high96.4Very high56 Ų5653.9 Ų53.924%0.24328%0.275CS..Hα-helixtrans-59.4-48.4171.9-176.6-176.3171.91790110.9I315 D316 F344 K345 W350 I351 I352I315-K348 HydrophobicContact CD1-CB 3.77Å; I315-K348 HydrophobicContact CD1-CG 4.18Å; I315-K348 HydrophobicContact CG2-CD 4.1Å; D316-K348 VanDerWaalsContact OD1-CE 3.22Å; D316-K348 WeakPolarHBondContact OD1-CE 3.43Å; D316-K348 IonicContact OD1-NZ 3.56Å; D316-K348 PolarHBondContact OD1-NZ 3.39Å; D316-K348 WeakPolarHBondContact OD2-CE 3.48Å; D316-K348 IonicContact OD2-NZ 2.77Å; D316-K348 PolarHBondContact OD2-NZ 3.19Å; F344-K348 PolarHBondContact O-N 3.19Å; K345-K348 WeakPolarHBondContact O-CB 3.33Å; K345-K348 PolarHBondContact O-N 3.05Å; K348-W350 VanDerWaalsContact C-N 3.29Å; K348-W350 PolarHBondContact O-N 3.31Å; K348-I351 PolarHBondContact O-N 2.76Å; K348-I351 VanDerWaalsContact O-N 3.16Å; K348-I352 HydrophobicContact CG-CD1 4.13Å; K348-I352 WeakPolarHBondContact O-CG1 3.31Å; K348-I352 PolarHBondContact O-N 3.23Å
349E97.6Very high96.5Very high91 Ų9155.9 Ų55.943%0.42528%0.276SS..Hα-helixtrans-59.4-41.5177.4-70.6173-170.500111.4K345 E346 I352 K353K345-E349 WeakPolarHBondContact CE-OE1 2.89Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 2.96Å; E346-E349 PolarHBondContact O-N 3.18Å; E349-I352 PolarHBondContact O-N 3.22Å; E349-K353 WeakPolarHBondContact O-CG 3.19Å; E349-K353 PolarHBondContact O-N 2.84Å; E349-K353 VanDerWaalsContact O-N 3.09Å
350W97.6Very high96.1Very high31 Ų3163.5 Ų63.512%0.11731%0.309CS..Hα-helixtrans-60.1-45.8173.5-177.993.1000112.2L47 F48 N287 Y308 E346 W347 K348 I352 K353 C354L47-W350 PolarHBondContact O-NE1 3.06Å; F48-W350 HydrophobicContact CD1-CZ2 4.06Å; F48-W350 AromaticContact CE1-CH2 3.89Å; F48-W350 HydrophobicContact CE1-CH2 3.89Å; F48-W350 AromaticContact CE1-CZ2 3.47Å; F48-W350 HydrophobicContact CE1-CZ2 3.47Å; F48-W350 VanDerWaalsContact CE1-CZ2 3.47Å; F48-W350 HydrophobicContact CZ-CH2 4.22Å; F48-W350 AromaticContact CZ-CZ2 3.93Å; F48-W350 HydrophobicContact CZ-CZ2 3.93Å; N287-W350 HydrophobicContact CB-CD2 4.34Å; N287-W350 HydrophobicContact CB-CE3 3.9Å; N287-W350 HydrophobicContact CB-CH2 3.27Å; N287-W350 HydrophobicContact CB-CZ2 3.71Å; N287-W350 HydrophobicContact CB-CZ3 3.37Å; N287-W350 VanDerWaalsContact CG-CZ2 3.46Å; N287-W350 WeakPolarHBondContact ND2-CZ2 3.23Å; Y308-W350 HydrophobicContact CE1-CZ3 4.47Å; Y308-W350 WeakPolarHBondContact OH-CH2 3.33Å; E346-W350 WeakPolarHBondContact O-CB 3.15Å; E346-W350 PolarHBondContact O-N 3.46Å; W347-W350 WeakPolarHBondContact O-CB 3.38Å; W347-W350 PolarHBondContact O-N 3.05Å; K348-W350 VanDerWaalsContact C-N 3.29Å; K348-W350 PolarHBondContact O-N 3.31Å; W350-I352 VanDerWaalsContact C-N 3.31Å; W350-I352 PolarHBondContact O-N 3.47Å; W350-K353 PolarHBondContact O-N 3.16Å; W350-C354 WeakPolarHBondContact CH2-SG 3.47Å; W350-C354 WeakPolarHBondContact CZ2-SG 3.19Å; W350-C354 PolarHBondContact O-N 3.15Å; W350-C354 PolarHBondContact O-SG 3.03Å
351I98.2Very high96.2Very high0 Ų065.8 Ų65.80%032%0.319CS..Hα-helixtrans-60.9-41.2177.3-64.6163.4000110.9Y308 L311 V312 W347 K348 K353 C354 L355Y308-I351 HydrophobicContact CD1-CG2 4.41Å; Y308-I351 HydrophobicContact CD2-CG2 4.32Å; Y308-I351 HydrophobicContact CG-CG2 3.89Å; L311-I351 HydrophobicContact CB-CD1 3.93Å; L311-I351 HydrophobicContact CD1-CD1 4.33Å; V312-I351 HydrophobicContact CG2-CB 4.15Å; V312-I351 HydrophobicContact CG2-CG2 3.61Å; W347-I351 HydrophobicContact CD2-CD1 3.85Å; W347-I351 HydrophobicContact CE3-CD1 4.06Å; W347-I351 HydrophobicContact CG-CD1 4.43Å; W347-I351 HydrophobicContact CH2-CD1 4.14Å; W347-I351 HydrophobicContact CZ2-CD1 3.9Å; W347-I351 HydrophobicContact CZ3-CD1 4.19Å; W347-I351 VanDerWaalsContact O-CG1 3.3Å; W347-I351 WeakPolarHBondContact O-CG1 3.26Å; W347-I351 PolarHBondContact O-N 2.81Å; K348-I351 PolarHBondContact O-N 2.76Å; K348-I351 VanDerWaalsContact O-N 3.16Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 2.67Å; I351-C354 WeakPolarHBondContact O-CB 3.3Å; I351-C354 PolarHBondContact O-N 3.44Å; I351-C354 VanDerWaalsContact O-N 3.17Å; I351-L355 HydrophobicContact CG2-CD1 4.17Å; I351-L355 HydrophobicContact CG2-CG 4.37Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 2.78Å
352I98.1Very high96.2Very high86 Ų8667.4 Ų67.444%0.44133%0.325SS..Hα-helixtrans-61.4-42.3178.1-68.4165.7000110.9K348 E349 W350 C354 L355 A356K348-I352 HydrophobicContact CG-CD1 4.13Å; K348-I352 WeakPolarHBondContact O-CG1 3.31Å; K348-I352 PolarHBondContact O-N 3.23Å; E349-I352 PolarHBondContact O-N 3.22Å; W350-I352 VanDerWaalsContact C-N 3.31Å; W350-I352 PolarHBondContact O-N 3.47Å; I352-C354 VanDerWaalsContact C-N 3.34Å; I352-C354 PolarHBondContact O-N 3.34Å; I352-L355 PolarHBondContact O-N 2.91Å; I352-A356 PolarHBondContact O-N 3.45Å
353K97.6Very high96.2Very high114 Ų11464 Ų6450%0.49631%0.309SS..Hα-helixtrans-61.5-41.7174.4-66.7175.4-178.4-179.80111.6L47 E349 W350 I351 A356 V357L47-K353 HydrophobicContact CD2-CB 3.71Å; L47-K353 HydrophobicContact CD2-CD 4.48Å; E349-K353 WeakPolarHBondContact O-CG 3.19Å; E349-K353 PolarHBondContact O-N 2.84Å; E349-K353 VanDerWaalsContact O-N 3.09Å; W350-K353 PolarHBondContact O-N 3.16Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 2.67Å; K353-A356 WeakPolarHBondContact O-CB 3.14Å; K353-A356 PolarHBondContact O-N 3.12Å; K353-V357 PolarHBondContact O-N 3.16Å
354C98Very high96.2Very high0 Ų065.7 Ų65.70%031%0.31CS..Hα-helixtrans-63.2-41.2174.8-64.10000112.8L36 Y308 W350 I351 I352 A356 V357 L358L36-C354 HydrophobicContact CD1-CB 3.75Å; L36-C354 HydrophobicContact CD2-CB 4.4Å; Y308-C354 HydrophobicContact CD2-CB 3.82Å; Y308-C354 HydrophobicContact CE2-CB 3.48Å; Y308-C354 VanDerWaalsContact CE2-CB 3.48Å; W350-C354 WeakPolarHBondContact CH2-SG 3.47Å; W350-C354 WeakPolarHBondContact CZ2-SG 3.19Å; W350-C354 PolarHBondContact O-N 3.15Å; W350-C354 PolarHBondContact O-SG 3.03Å; I351-C354 WeakPolarHBondContact O-CB 3.3Å; I351-C354 PolarHBondContact O-N 3.44Å; I351-C354 VanDerWaalsContact O-N 3.17Å; I352-C354 VanDerWaalsContact C-N 3.34Å; I352-C354 PolarHBondContact O-N 3.34Å; C354-A356 VanDerWaalsContact C-N 3.28Å; C354-A356 PolarHBondContact O-N 2.79Å; C354-V357 PolarHBondContact O-N 3.19Å; C354-V357 VanDerWaalsContact O-N 3.15Å; C354-L358 WeakPolarHBondContact O-CG 3.42Å; C354-L358 PolarHBondContact O-N 2.86Å
355L98.1Very high96.1Very high21 Ų2169.8 Ų69.811%0.1133%0.33CS..Hα-helixtrans-60.5-38.6175.7-74170.7000111.7V305 K309 V312 I351 I352 V357 L358 Q359V305-L355 HydrophobicContact CG2-CD2 3.72Å; K309-L355 HydrophobicContact CG-CD2 4.19Å; V312-L355 HydrophobicContact CG2-CD1 4.34Å; I351-L355 HydrophobicContact CG2-CD1 4.17Å; I351-L355 HydrophobicContact CG2-CG 4.37Å; I351-L355 WeakPolarHBondContact O-CG 3.45Å; I351-L355 PolarHBondContact O-N 2.78Å; I352-L355 PolarHBondContact O-N 2.91Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 3.09Å; L355-L358 HydrophobicContact CD2-CD1 4.27Å; L355-L358 PolarHBondContact O-N 3.22Å; L355-Q359 WeakPolarHBondContact O-CB 3.39Å; L355-Q359 VanDerWaalsContact O-CG 3.28Å; L355-Q359 WeakPolarHBondContact O-CG 3.04Å; L355-Q359 PolarHBondContact O-N 3.18Å; L355-Q359 VanDerWaalsContact O-N 3.15Å
356A97.1Very high96.1Very high47 Ų4765.3 Ų65.339%0.38831%0.312SS..Hα-helixtrans-63.2-37.4174.700000112.4I352 K353 C354 Q359 K360I352-A356 PolarHBondContact O-N 3.45Å; K353-A356 WeakPolarHBondContact O-CB 3.14Å; K353-A356 PolarHBondContact O-N 3.12Å; C354-A356 VanDerWaalsContact C-N 3.28Å; C354-A356 PolarHBondContact O-N 2.79Å; A356-Q359 PolarHBondContact O-N 3.48Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.24Å
357V96.5Very high96.1Very high21 Ų2158.3 Ų58.313%0.12728%0.28CS..Hα-helixtrans-68.7-38.7174.8176.40000112R35 L36 E39 L47 K353 C354 L355 Q359R35-V357 HydrophobicContact CB-CG1 4.26Å; L36-V357 HydrophobicContact CB-CG1 4.19Å; L36-V357 HydrophobicContact CD1-CB 4.24Å; L36-V357 HydrophobicContact CD1-CG1 4.29Å; E39-V357 HydrophobicContact CG-CG1 4.35Å; L47-V357 HydrophobicContact CD1-CG2 3.87Å; K353-V357 PolarHBondContact O-N 3.16Å; C354-V357 PolarHBondContact O-N 3.19Å; C354-V357 VanDerWaalsContact O-N 3.15Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 3.09Å; V357-Q359 PolarHBondContact O-N 3.04Å
358L95.7Very high96.1Very high15 Ų1561.4 Ų61.48%0.07930%0.296CS..Hα-helixtrans-65.6-25.1177.8-72.7162.4000113.1E33 L36 I304 V305 Y308 C354 L355E33-L358 HydrophobicContact CG-CD2 4.04Å; L36-L358 HydrophobicContact CB-CD2 3.93Å; L36-L358 HydrophobicContact CB-CG 4.21Å; L36-L358 HydrophobicContact CD2-CD1 3.98Å; L36-L358 HydrophobicContact CD2-CD2 3.88Å; L36-L358 HydrophobicContact CD2-CG 3.91Å; I304-L358 HydrophobicContact CB-CD2 4.45Å; I304-L358 HydrophobicContact CG2-CD1 4.01Å; I304-L358 HydrophobicContact CG2-CD2 4.4Å; V305-L358 HydrophobicContact CB-CD1 4.16Å; Y308-L358 HydrophobicContact CD2-CD1 3.88Å; Y308-L358 HydrophobicContact CE2-CD1 4.32Å; C354-L358 WeakPolarHBondContact O-CG 3.42Å; C354-L358 PolarHBondContact O-N 2.86Å; L355-L358 HydrophobicContact CD2-CD1 4.27Å; L355-L358 PolarHBondContact O-N 3.22Å
359Q91.8Very high95.9Very high136 Ų13661.8 Ų61.864%0.63630%0.3SS*.Hα-helixtrans-100.1-20.2-174-71.3173.6-5.700114.9L355 A356 V357L355-Q359 WeakPolarHBondContact O-CB 3.39Å; L355-Q359 VanDerWaalsContact O-CG 3.28Å; L355-Q359 WeakPolarHBondContact O-CG 3.04Å; L355-Q359 PolarHBondContact O-N 3.18Å; L355-Q359 VanDerWaalsContact O-N 3.15Å; A356-Q359 PolarHBondContact O-N 3.48Å; V357-Q359 PolarHBondContact O-N 3.04Å
360K84.9Confident95.8Very high180 Ų18059.2 Ų59.278%0.78329%0.289SS*.  trans-62.60161.5-71.3175.1-175.3-176.70108.4R35 A356R35-K360 PolarHBondContact NE-OXT 3.03Å; R35-K360 PolarHBondContact NH2-OXT 3.2Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.24Å

Retrieved 360 of 360 residues in 78.6 ms (Link to these results)

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