A0A087YGB1_POEFO Loading...

Serine/threonine-protein kinase 25

Oxidant stress-activated serine/threonine kinase that may play a role in the response to environmental stress. Targets to the Golgi apparatus where it appears to regulate protein transport events, cell adhesion, and polarity complexes important for cell migration. Part of the striatin-interacting phosphatase and kinase (STRIPAK) complexes. STRIPAK complexes have critical roles in protein (de)phosphorylation and are regulators of multiple signaling pathways including Hippo, MAPK, nuclear receptor and cytoskeleton remodeling. Different types of STRIPAK complexes are involved in a variety of biological processes such as cell growth, differentiation, apoptosis, metabolism and immune regulation.

AlphaFold DB , UniProt , Accession A0A087YGB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 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
1M32.9Very low38.7Very low229 Ų229121 Ų121100%1.12865%0.646SS**  0-26.40-70.6-161.7-165.900115.4
2A28.1Very low39.8Very low94 Ų94114.3 Ų114.378%0.77761%0.613SS**THydrogen-bonded Turntrans-83.9-7.7-176.800000116.2
3H31.7Very low41.1Very low159 Ų159121.5 Ų121.574%0.73664%0.635SS**THydrogen-bonded Turntrans-102.56.6-178.3-87-62.2000115.3
4L39Very low43.3Very low76 Ų76116.6 Ų116.640%0.39861%0.61SS.*SBendtrans-79.8-3.2165.3-85.4149.5000112.6D6 L7L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 3.21Å; L4-L7 HydrophobicContact CD2-CD1 4.08Å; L4-L7 PolarHBondContact O-N 3.35Å
5G34.1Very low46.1Very low29 Ų29113.1 Ų113.130%0.29959%0.592SS.*G310 helixtrans-63.4-33.7-17700000114Q8G5-Q8 WeakPolarHBondContact O-CB 3.47Å; G5-Q8 VanDerWaalsContact O-CG 3.26Å; G5-Q8 WeakPolarHBondContact O-CG 3.42Å; G5-Q8 PolarHBondContact O-N 3.25Å; G5-Q8 VanDerWaalsContact O-N 3.12Å
6D39Very low48.9Very low151 Ų151106 Ų10681%0.80756%0.555SS**G310 helixtrans-84.6-11.8-175.6-69.8-32.6000113.9L4 Q8L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 3.21Å; D6-Q8 PolarHBondContact O-N 2.79Å
7L42Very low51.4Low55 Ų55105.2 Ų105.229%0.28855%0.547SS..G310 helixtrans-77.5-6.3163.9-80.6164.8000112.5L4 N9 T12 Q64L4-L7 HydrophobicContact CD2-CD1 4.08Å; L4-L7 PolarHBondContact O-N 3.35Å; L7-N9 PolarHBondContact O-N 2.8Å; L7-T12 WeakPolarHBondContact O-CG2 3.32Å; L7-Q64 HydrophobicContact CD1-CG 3.95Å
8Q41.5Very low53.6Low137 Ų137106.5 Ų106.564%0.6455%0.55SS**G310 helixtrans-74.1-5.3-174.5-66.1179.6-18.200114.5G5 D6G5-Q8 WeakPolarHBondContact O-CB 3.47Å; G5-Q8 VanDerWaalsContact O-CG 3.26Å; G5-Q8 WeakPolarHBondContact O-CG 3.42Å; G5-Q8 PolarHBondContact O-N 3.25Å; G5-Q8 VanDerWaalsContact O-N 3.12Å; D6-Q8 PolarHBondContact O-N 2.79Å
9N38.8Very low55.7Low152 Ų152105.4 Ų105.481%0.81354%0.539SS*.G310 helixtrans-1000.3-168-109.8-8.3000117.5L7L7-N9 PolarHBondContact O-N 2.8Å
10Q46.3Very low57.7Low169 Ų169100.6 Ų100.679%0.7951%0.514SS*.SBendtrans-143.2112165.6-63.4-169.810.500111.1T12Q10-T12 PolarHBondContact O-N 3.1Å
11N52.5Low59.5Low80 Ų8099 Ų9943%0.42851%0.509SS..SBendtrans66.28.3166.7-71.4-12.7000121.2K13 L14 Y85N11-K13 PolarHBondContact O-N 3.46Å; N11-K13 VanDerWaalsContact O-N 3.09Å; N11-L14 HydrophobicContact CB-CD1 4.27Å; N11-L14 PolarHBondContact O-N 2.82Å; N11-L14 WeakPolarHBondContact OD1-CD1 3.12Å; N11-Y85 HydrophobicContact CB-CD1 4.03Å; N11-Y85 HydrophobicContact CB-CE1 3.7Å; N11-Y85 PolarHBondContact ND2-OH 3.39Å
12T52.1Low62.5Low41 Ų4192.3 Ų92.325%0.25247%0.474SS..THydrogen-bonded Turntrans-68.8-6.4-177.345.40000117L7 Q10L7-T12 WeakPolarHBondContact O-CG2 3.32Å; Q10-T12 PolarHBondContact O-N 3.1Å
13K55.8Low65.8Low207 Ų20791.4 Ų91.490%0.945%0.454SS*.THydrogen-bonded Turntrans-102.1-0.4176.1-73.1-176.2179.7177.20114.5N11N11-K13 PolarHBondContact O-N 3.46Å; N11-K13 VanDerWaalsContact O-N 3.09Å
14L72.1Confident68.7Low54 Ų5488.4 Ų88.428%0.28344%0.44SS..SBendtrans-99.1133.2-175.6-65.3172.2000109.7N11 P16 Y19N11-L14 HydrophobicContact CB-CD1 4.27Å; N11-L14 PolarHBondContact O-N 2.82Å; N11-L14 WeakPolarHBondContact OD1-CD1 3.12Å; L14-P16 VanDerWaalsContact O-CD 3.3Å; L14-P16 WeakPolarHBondContact O-CD 3.42Å; L14-Y19 HydrophobicContact CB-CE2 3.91Å; L14-Y19 HydrophobicContact CD1-CE2 4.16Å; L14-Y19 HydrophobicContact CD2-CE2 4.34Å; L14-Y19 HydrophobicContact CG-CE2 4.36Å
15D85.5Confident71.3Confident63 Ų6390.8 Ų90.834%0.33744%0.444SS..  trans-69.8116.1173.9-169.8-15.3000108.8E17 E18D15-E17 PolarHBondContact O-N 2.91Å; D15-E17 VanDerWaalsContact O-N 3.13Å; D15-E17 PolarHBondContact OD1-N 3Å; D15-E17 VanDerWaalsContact OD1-N 3.16Å; D15-E18 HydrophobicContact CB-CG 4.23Å; D15-E18 WeakPolarHBondContact O-CB 3.32Å; D15-E18 PolarHBondContact O-N 2.78Å; D15-E18 VanDerWaalsContact O-N 3.14Å
16P90.9Very high73.9Confident0 Ų092.9 Ų92.90%045%0.447CS..Hα-helixtrans-60-23.9-178.422.2-32.5000113.4L14 E18 Y19 F20 Y85 K87 W93L14-P16 VanDerWaalsContact O-CD 3.3Å; L14-P16 WeakPolarHBondContact O-CD 3.42Å; P16-E18 PolarHBondContact O-N 3.23Å; P16-Y19 PolarHBondContact O-N 2.69Å; P16-Y19 VanDerWaalsContact O-N 3.08Å; P16-F20 PolarHBondContact O-N 3.41Å; P16-Y85 HydrophobicContact CB-CD1 4.46Å; P16-Y85 HydrophobicContact CB-CG 4.01Å; P16-K87 HydrophobicContact CG-CB 3.96Å; P16-K87 HydrophobicContact CG-CD 4.49Å; P16-K87 HydrophobicContact CG-CG 4.35Å; P16-W93 HydrophobicContact CB-CD2 3.9Å; P16-W93 HydrophobicContact CB-CE3 3.62Å; P16-W93 HydrophobicContact CB-CG 4.32Å; P16-W93 HydrophobicContact CB-CZ3 4.08Å; P16-W93 HydrophobicContact CG-CD2 3.77Å; P16-W93 HydrophobicContact CG-CE3 3.98Å; P16-W93 HydrophobicContact CG-CG 4.03Å; P16-W93 HydrophobicContact CG-CZ3 4.44Å
17E91.8Very high76.1Confident92 Ų9287 Ų8743%0.4342%0.423SS..Hα-helixtrans-68.9-20.7179.8-69.1-175.7157.800113.1D15 Y19 F20 N40 K87 W93D15-E17 PolarHBondContact O-N 2.91Å; D15-E17 VanDerWaalsContact O-N 3.13Å; D15-E17 PolarHBondContact OD1-N 3Å; D15-E17 VanDerWaalsContact OD1-N 3.16Å; E17-Y19 VanDerWaalsContact C-N 3.3Å; E17-F20 WeakPolarHBondContact CA-O 3.35Å; E17-N40 PolarHBondContact O-ND2 3.09Å; E17-K87 IonicContact OE1-NZ 3.39Å; E17-K87 PolarHBondContact OE1-NZ 3.38Å; E17-K87 WeakPolarHBondContact OE2-CE 3.41Å; E17-K87 IonicContact OE2-NZ 3.39Å; E17-K87 PolarHBondContact OE2-NZ 3.16Å; E17-W93 HydrophobicContact CG-CH2 3.84Å; E17-W93 HydrophobicContact CG-CZ2 4.28Å
18E91Very high77.9Confident129 Ų12990.9 Ų90.960%0.60344%0.437SS*.Hα-helixtrans-68.4-33.4171.3-65.2-178.6173.500111.5D15 P16 N40D15-E18 HydrophobicContact CB-CG 4.23Å; D15-E18 WeakPolarHBondContact O-CB 3.32Å; D15-E18 PolarHBondContact O-N 2.78Å; D15-E18 VanDerWaalsContact O-N 3.14Å; P16-E18 PolarHBondContact O-N 3.23Å; E18-N40 PolarHBondContact O-ND2 3.26Å
19Y92.4Very high79.1Confident85 Ų8585.3 Ų85.333%0.33342%0.416SS..Hα-helixtrans-99-26.9-174.1-63.2-89.4000113.1L14 P16 E17 N40L14-Y19 HydrophobicContact CB-CE2 3.91Å; L14-Y19 HydrophobicContact CD1-CE2 4.16Å; L14-Y19 HydrophobicContact CD2-CE2 4.34Å; L14-Y19 HydrophobicContact CG-CE2 4.36Å; P16-Y19 PolarHBondContact O-N 2.69Å; P16-Y19 VanDerWaalsContact O-N 3.08Å; E17-Y19 VanDerWaalsContact C-N 3.3Å; Y19-N40 WeakPolarHBondContact O-CB 3.18Å; Y19-N40 PolarHBondContact O-N 3.13Å
20F96.3Very high80.3Confident10 Ų1081 Ų814%0.04440%0.398CS..EExtended strand (participates in β ladder)trans-134.9131.9-174.1-57.5-80.9000111.8P16 E17 L38 N39 N40 V46 I48 Y85 W93 I95P16-F20 PolarHBondContact O-N 3.41Å; E17-F20 WeakPolarHBondContact CA-O 3.35Å; F20-L38 CarbonylContact C-O 3.54Å; F20-L38 VanDerWaalsContact CA-O 3.27Å; F20-L38 WeakPolarHBondContact CA-O 3.38Å; F20-N39 HydrophobicContact CD1-CB 4.13Å; F20-N39 HydrophobicContact CE1-CB 3.94Å; F20-N40 PolarHBondContact N-ND2 3.49Å; F20-V46 HydrophobicContact CD1-CG2 3.9Å; F20-V46 HydrophobicContact CE1-CG2 4.29Å; F20-I48 HydrophobicContact CB-CD1 4.04Å; F20-Y85 HydrophobicContact CD2-CE2 4.5Å; F20-Y85 HydrophobicContact CE2-CD2 4.32Å; F20-Y85 AromaticContact CE2-CE2 3.61Å; F20-Y85 HydrophobicContact CE2-CE2 3.61Å; F20-Y85 AromaticContact CE2-CZ 3.8Å; F20-Y85 HydrophobicContact CZ-CE2 4.32Å; F20-W93 HydrophobicContact CB-CZ3 4.44Å; F20-I95 HydrophobicContact CD1-CG2 4.29Å; F20-I95 HydrophobicContact CD2-CD1 4.06Å; F20-I95 HydrophobicContact CD2-CG1 4.28Å; F20-I95 HydrophobicContact CE1-CG1 4.49Å; F20-I95 HydrophobicContact CE1-CG2 3.69Å; F20-I95 HydrophobicContact CE2-CD1 4.16Å; F20-I95 HydrophobicContact CE2-CG1 3.86Å; F20-I95 HydrophobicContact CG-CD1 4.32Å; F20-I95 HydrophobicContact CZ-CB 4.4Å; F20-I95 HydrophobicContact CZ-CD1 4.49Å; F20-I95 HydrophobicContact CZ-CG1 3.98Å; F20-I95 HydrophobicContact CZ-CG2 3.83Å
21T96.5Very high81.4Confident67 Ų6774.1 Ų74.141%0.41137%0.365SS..EExtended strand (participates in β ladder)trans-91.4113.7168.4-60.30000108.9G37 L38 N40T21-G37 CarbonylContact O-C 3.6Å; T21-G37 WeakPolarHBondContact O-CA 3.44Å; T21-L38 PolarHBondContact N-O 3.05Å; T21-L38 PolarHBondContact O-N 2.95Å; T21-N40 PolarHBondContact N-OD1 3.43Å; T21-N40 PolarHBondContact OG1-OD1 3.12Å
22K95.9Very high82.8Confident89 Ų8971 Ų7139%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-71.4133.4172.6-168.1-175.374.9158.60110.1Y35 I50 W93K22-Y35 HydrophobicContact CD-CD1 3.79Å; K22-Y35 HydrophobicContact CD-CD2 4.09Å; K22-Y35 HydrophobicContact CD-CE1 4.11Å; K22-Y35 HydrophobicContact CD-CE2 4.4Å; K22-Y35 HydrophobicContact CD-CG 3.77Å; K22-Y35 HydrophobicContact CG-CD1 3.92Å; K22-Y35 HydrophobicContact CG-CG 3.85Å; K22-I50 HydrophobicContact CD-CD1 3.63Å; K22-W93 HydrophobicContact CB-CH2 4.01Å; K22-W93 HydrophobicContact CB-CZ3 4.47Å; K22-W93 HydrophobicContact CD-CH2 4.41Å
23Q95.8Very high84.6Confident74 Ų7471.7 Ų71.735%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-116.5-147.3179.4-53.1-172.5-50.900110.5Y35 K36Q23-Y35 WeakPolarHBondContact O-CD1 3.34Å; Q23-K36 WeakPolarHBondContact CA-O 3.12Å; Q23-K36 HydrophobicContact CB-CB 4.31Å; Q23-K36 WeakPolarHBondContact CB-O 3.26Å; Q23-K36 PolarHBondContact N-O 2.78Å
24E93.4Very high86.3Confident96 Ų9662.9 Ų62.945%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-60.9149.3-178.170.3-83.6-164.900113.2I26 Y35 K36E24-I26 HydrophobicContact CG-CG2 4.12Å; E24-I26 PolarHBondContact O-N 3.19Å; E24-Y35 WeakPolarHBondContact O-CA 3.47Å; E24-K36 PolarHBondContact O-N 3.34Å; E24-K36 WeakPolarHBondContact OE1-CD 3.3Å; E24-K36 IonicContact OE1-NZ 2.89Å; E24-K36 PolarHBondContact OE1-NZ 3.28Å
25R93.9Very high87.4Confident127 Ų12761.9 Ų61.948%0.47931%0.308SS..EExtended strand (participates in β ladder)trans-70.7126.2170.1-169.8177.769.4-179.9-1.1108.5E33 Y35R25-E33 WeakPolarHBondContact CD-OE1 3.48Å; R25-E33 IonicContact CZ-OE1 2.68Å; R25-E33 IonicContact NE-OE1 2.84Å; R25-E33 IonicContact NH1-OE1 2.95Å; R25-E33 PolarHBondContact NH1-OE1 3.42Å; R25-Y35 HydrophobicContact CB-CD1 3.96Å; R25-Y35 HydrophobicContact CB-CE1 3.76Å; R25-Y35 HydrophobicContact CG-CD1 4.45Å; R25-Y35 HydrophobicContact CG-CE1 4.17Å
26I89.3Confident87.9Confident72 Ų7261.1 Ų61.137%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-109-13.7-178.459.1175.5000113.1E24 V34 K36 Y98E24-I26 HydrophobicContact CG-CG2 4.12Å; E24-I26 PolarHBondContact O-N 3.19Å; I26-V34 HydrophobicContact CD1-CG1 3.95Å; I26-V34 HydrophobicContact CG1-CB 4.23Å; I26-V34 HydrophobicContact CG1-CG1 3.87Å; I26-V34 WeakPolarHBondContact CG1-O 3.32Å; I26-V34 PolarHBondContact N-O 2.96Å; I26-K36 HydrophobicContact CD1-CB 4.46Å; I26-K36 HydrophobicContact CG2-CB 3.8Å; I26-Y98 HydrophobicContact CD1-CD2 4.03Å; I26-Y98 HydrophobicContact CD1-CE2 3.74Å
27G83.7Confident88.2Confident29 Ų2961.1 Ų61.130%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-175.5176.3176.100000113V34G27-V34 PolarHBondContact N-O 3.41Å; G27-V34 VanDerWaalsContact N-O 3.12Å; G27-V34 PolarHBondContact O-N 3.33Å
28K80.2Confident88.5Confident136 Ų13658.8 Ų58.859%0.59129%0.293SS*.EExtended strand (participates in β ladder)trans-129.7119.1170.9-176175.3179.9174.80107.4
29G68Low88.7Confident19 Ų1953.9 Ų53.920%0.19627%0.27CS..  trans-92.5-176.1174.300000111.7F31 G32G29-F31 VanDerWaalsContact C-N 3.33Å; G29-F31 PolarHBondContact O-N 2.83Å; G29-G32 PolarHBondContact N-O 3.45Å
30S63.3Low88.8Confident61 Ų6151.8 Ų51.843%0.42727%0.265SS..SBendtrans-61.9-37.7-177.7-550000113.8
31F69.6Low88.7Confident25 Ų2561.3 Ų61.311%0.1130%0.301CS..SBendtrans-105.7-2.5-173.2-56.8-68.7000113.6G29 I51 E59 I63 E66 V162G29-F31 VanDerWaalsContact C-N 3.33Å; G29-F31 PolarHBondContact O-N 2.83Å; F31-I51 HydrophobicContact CB-CD1 3.77Å; F31-I51 HydrophobicContact CB-CG1 3.95Å; F31-I51 HydrophobicContact CB-CG2 4.32Å; F31-I51 WeakPolarHBondContact O-CG2 3.49Å; F31-E59 HydrophobicContact CD1-CB 4.43Å; F31-E59 WeakPolarHBondContact CD1-OE2 3.25Å; F31-E59 HydrophobicContact CE1-CB 4.22Å; F31-E59 HydrophobicContact CE1-CG 4.47Å; F31-E59 VanDerWaalsContact CE1-OE2 3.26Å; F31-E59 WeakPolarHBondContact CE1-OE2 3.41Å; F31-I63 HydrophobicContact CD1-CD1 4.44Å; F31-I63 HydrophobicContact CD1-CG1 4.17Å; F31-I63 HydrophobicContact CG-CG1 4.18Å; F31-E66 WeakPolarHBondContact CE2-OE2 3.37Å; F31-V162 HydrophobicContact CZ-CG2 4.22Å
32G80.7Confident88.6Confident14 Ų1460.9 Ų60.914%0.14430%0.298CS..EExtended strand (participates in β ladder)trans167.9-169.3-172.700000114.6G29 I50G29-G32 PolarHBondContact N-O 3.45Å; G32-I50 VanDerWaalsContact CA-O 3.32Å; G32-I50 WeakPolarHBondContact CA-O 3.49Å
33E89.8Confident88.5Confident57 Ų5763 Ų6327%0.26631%0.307SS..EExtended strand (participates in β ladder)trans-101.3143.8-175.3-64.7-173128.200111.2R25 Y35 K49 I50R25-E33 WeakPolarHBondContact CD-OE1 3.48Å; R25-E33 IonicContact CZ-OE1 2.68Å; R25-E33 IonicContact NE-OE1 2.84Å; R25-E33 IonicContact NH1-OE1 2.95Å; R25-E33 PolarHBondContact NH1-OE1 3.42Å; E33-Y35 HydrophobicContact CB-CD2 4.24Å; E33-Y35 HydrophobicContact CB-CE2 3.49Å; E33-Y35 VanDerWaalsContact CB-CE2 3.49Å; E33-Y35 PolarHBondContact OE2-OH 3.16Å; E33-K49 WeakPolarHBondContact O-CA 3.49Å; E33-I50 PolarHBondContact N-O 3.29Å; E33-I50 PolarHBondContact O-N 3.08Å
34V92.2Very high88.5Confident21 Ų2164.9 Ų64.913%0.12732%0.316CS..EExtended strand (participates in β ladder)trans-108.9126.3178.5-169.60000108.8I26 G27 A47 I48 K49I26-V34 HydrophobicContact CD1-CG1 3.95Å; I26-V34 HydrophobicContact CG1-CB 4.23Å; I26-V34 HydrophobicContact CG1-CG1 3.87Å; I26-V34 WeakPolarHBondContact CG1-O 3.32Å; I26-V34 PolarHBondContact N-O 2.96Å; G27-V34 PolarHBondContact N-O 3.41Å; G27-V34 VanDerWaalsContact N-O 3.12Å; G27-V34 PolarHBondContact O-N 3.33Å; V34-A47 HydrophobicContact CG1-CB 4.37Å; V34-I48 WeakPolarHBondContact CA-O 3.27Å; V34-K49 HydrophobicContact CG2-CB 4.32Å; V34-K49 HydrophobicContact CG2-CG 4.25Å
35Y95.2Very high88.7Confident33 Ų3363.2 Ų63.213%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-115.9147.9179.9-66.2-95.4000110.2K22 Q23 E24 R25 E33 I48 I50K22-Y35 HydrophobicContact CD-CD1 3.79Å; K22-Y35 HydrophobicContact CD-CD2 4.09Å; K22-Y35 HydrophobicContact CD-CE1 4.11Å; K22-Y35 HydrophobicContact CD-CE2 4.4Å; K22-Y35 HydrophobicContact CD-CG 3.77Å; K22-Y35 HydrophobicContact CG-CD1 3.92Å; K22-Y35 HydrophobicContact CG-CG 3.85Å; Q23-Y35 WeakPolarHBondContact O-CD1 3.34Å; E24-Y35 WeakPolarHBondContact O-CA 3.47Å; R25-Y35 HydrophobicContact CB-CD1 3.96Å; R25-Y35 HydrophobicContact CB-CE1 3.76Å; R25-Y35 HydrophobicContact CG-CD1 4.45Å; R25-Y35 HydrophobicContact CG-CE1 4.17Å; E33-Y35 HydrophobicContact CB-CD2 4.24Å; E33-Y35 HydrophobicContact CB-CE2 3.49Å; E33-Y35 VanDerWaalsContact CB-CE2 3.49Å; E33-Y35 PolarHBondContact OE2-OH 3.16Å; Y35-I48 PolarHBondContact N-O 3.39Å; Y35-I48 PolarHBondContact O-N 3.14Å; Y35-I50 HydrophobicContact CD2-CD1 3.77Å; Y35-I50 HydrophobicContact CD2-CG1 4.12Å; Y35-I50 HydrophobicContact CE2-CD1 3.93Å; Y35-I50 HydrophobicContact CE2-CG1 4.41Å
36K96.3Very high88.8Confident48 Ų4857.3 Ų57.321%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-71.3146.8160.2-170.4-177.7-179179.40108.5Q23 E24 I26 V45 Y98Q23-K36 WeakPolarHBondContact CA-O 3.12Å; Q23-K36 HydrophobicContact CB-CB 4.31Å; Q23-K36 WeakPolarHBondContact CB-O 3.26Å; Q23-K36 PolarHBondContact N-O 2.78Å; E24-K36 PolarHBondContact O-N 3.34Å; E24-K36 WeakPolarHBondContact OE1-CD 3.3Å; E24-K36 IonicContact OE1-NZ 2.89Å; E24-K36 PolarHBondContact OE1-NZ 3.28Å; I26-K36 HydrophobicContact CD1-CB 4.46Å; I26-K36 HydrophobicContact CG2-CB 3.8Å; K36-V45 HydrophobicContact CD-CG1 4.25Å; K36-V45 HydrophobicContact CG-CG1 3.74Å; K36-Y98 HydrophobicContact CG-CD2 4.45Å; K36-Y98 HydrophobicContact CG-CE2 4.17Å
37G97Very high89.1Confident0 Ų054.2 Ų54.20%028%0.276CS..EExtended strand (participates in β ladder)trans-145.3166.7176.200000112.6T21 V45 V46T21-G37 CarbonylContact O-C 3.6Å; T21-G37 WeakPolarHBondContact O-CA 3.44Å; G37-V45 CarbonylContact O-C 3.23Å; G37-V45 WeakPolarHBondContact O-CA 3.28Å; G37-V46 PolarHBondContact N-O 3.01Å; G37-V46 PolarHBondContact O-N 3.34Å
38L97.3Very high89.6Confident43 Ų4352.9 Ų52.923%0.22526%0.261CS..EExtended strand (participates in β ladder)trans-120.5126.7174.8-170.972.8000109.2F20 T21 N40 K43 V45F20-L38 CarbonylContact C-O 3.54Å; F20-L38 VanDerWaalsContact CA-O 3.27Å; F20-L38 WeakPolarHBondContact CA-O 3.38Å; T21-L38 PolarHBondContact N-O 3.05Å; T21-L38 PolarHBondContact O-N 2.95Å; L38-N40 PolarHBondContact O-N 3.25Å; L38-N40 PolarHBondContact O-OD1 3.47Å; L38-K43 WeakPolarHBondContact CD1-O 3.09Å; L38-K43 HydrophobicContact CD2-CD 4.24Å; L38-V45 HydrophobicContact CD1-CG2 4.46Å
39N96.1Very high90.2Very high25 Ų2546.6 Ų46.613%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-67.8115.1166.9-175.2-45.4000108.8F20 R41 T42 K43 E44F20-N39 HydrophobicContact CD1-CB 4.13Å; F20-N39 HydrophobicContact CE1-CB 3.94Å; N39-R41 PolarHBondContact O-N 3.15Å; N39-R41 VanDerWaalsContact O-N 3.16Å; N39-R41 WeakPolarHBondContact OD1-CB 3.19Å; N39-R41 PolarHBondContact OD1-N 3.28Å; N39-T42 WeakPolarHBondContact CB-OG1 3.35Å; N39-T42 VanDerWaalsContact CG-OG1 3.22Å; N39-T42 PolarHBondContact OD1-N 2.75Å; N39-T42 VanDerWaalsContact OD1-N 3.1Å; N39-K43 WeakPolarHBondContact O-CA 3.43Å; N39-K43 PolarHBondContact O-N 2.73Å; N39-E44 PolarHBondContact N-O 2.69Å
40N94.8Very high91.3Very high42 Ų4246.6 Ų46.623%0.22523%0.23CC..THydrogen-bonded Turntrans-62.8-27.2-173.2-68.3-16.9000112.5E17 E18 Y19 F20 T21 L38 K43E17-N40 PolarHBondContact O-ND2 3.09Å; E18-N40 PolarHBondContact O-ND2 3.26Å; Y19-N40 WeakPolarHBondContact O-CB 3.18Å; Y19-N40 PolarHBondContact O-N 3.13Å; F20-N40 PolarHBondContact N-ND2 3.49Å; T21-N40 PolarHBondContact N-OD1 3.43Å; T21-N40 PolarHBondContact OG1-OD1 3.12Å; L38-N40 PolarHBondContact O-N 3.25Å; L38-N40 PolarHBondContact O-OD1 3.47Å; N40-K43 WeakPolarHBondContact O-CE 3.39Å; N40-K43 PolarHBondContact O-NZ 3.25Å
41R93.6Very high92.6Very high209 Ų20943.7 Ų43.779%0.78921%0.209SC*.THydrogen-bonded Turntrans-85.8-52.6-179.5-173.8179.268.7-170.90.6112.4N39N39-R41 PolarHBondContact O-N 3.15Å; N39-R41 VanDerWaalsContact O-N 3.16Å; N39-R41 WeakPolarHBondContact OD1-CB 3.19Å; N39-R41 PolarHBondContact OD1-N 3.28Å
42T94.7Very high93.5Very high58 Ų5844.1 Ų44.136%0.35621%0.213SC..THydrogen-bonded Turntrans-87.4-16.4-17564.30000113.3N39 E44N39-T42 WeakPolarHBondContact CB-OG1 3.35Å; N39-T42 VanDerWaalsContact CG-OG1 3.22Å; N39-T42 PolarHBondContact OD1-N 2.75Å; N39-T42 VanDerWaalsContact OD1-N 3.1Å; T42-E44 VanDerWaalsContact CB-OE2 3.32Å; T42-E44 WeakPolarHBondContact CB-OE2 3.46Å; T42-E44 PolarHBondContact O-N 2.87Å; T42-E44 WeakPolarHBondContact OG1-CB 3.21Å; T42-E44 WeakPolarHBondContact OG1-CG 3.33Å; T42-E44 PolarHBondContact OG1-N 3.44Å; T42-E44 PolarHBondContact OG1-OE2 3.4Å
43K94.5Very high93.8Very high135 Ų13544.7 Ų44.759%0.58721%0.212SC*.  trans60.216.3-169.9-51.2-54.7-172.4-167.70113.7L38 N39 N40L38-K43 WeakPolarHBondContact CD1-O 3.09Å; L38-K43 HydrophobicContact CD2-CD 4.24Å; N39-K43 WeakPolarHBondContact O-CA 3.43Å; N39-K43 PolarHBondContact O-N 2.73Å; N40-K43 WeakPolarHBondContact O-CE 3.39Å; N40-K43 PolarHBondContact O-NZ 3.25Å
44E94.9Very high93.6Very high113 Ų11349 Ų4953%0.52823%0.232SC..  trans-75.9142.2173-66.9168.1138.800110.5N39 T42N39-E44 PolarHBondContact N-O 2.69Å; T42-E44 VanDerWaalsContact CB-OE2 3.32Å; T42-E44 WeakPolarHBondContact CB-OE2 3.46Å; T42-E44 PolarHBondContact O-N 2.87Å; T42-E44 WeakPolarHBondContact OG1-CB 3.21Å; T42-E44 WeakPolarHBondContact OG1-CG 3.33Å; T42-E44 PolarHBondContact OG1-N 3.44Å; T42-E44 PolarHBondContact OG1-OE2 3.4Å
45V96.7Very high93.1Very high61 Ų6156 Ų5637%0.3726%0.264SS..EExtended strand (participates in β ladder)trans-78.2134.1174.2-174.70000109K36 G37 L38 Y98K36-V45 HydrophobicContact CD-CG1 4.25Å; K36-V45 HydrophobicContact CG-CG1 3.74Å; G37-V45 CarbonylContact O-C 3.23Å; G37-V45 WeakPolarHBondContact O-CA 3.28Å; L38-V45 HydrophobicContact CD1-CG2 4.46Å; V45-Y98 HydrophobicContact CB-CD1 4.2Å; V45-Y98 HydrophobicContact CG1-CD1 3.52Å; V45-Y98 HydrophobicContact CG1-CD2 4.34Å; V45-Y98 HydrophobicContact CG1-CE1 4.02Å; V45-Y98 HydrophobicContact CG1-CG 3.69Å
46V96.9Very high92.2Very high2 Ų254.7 Ų54.71%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-129.2158.9-178.9-62.50000110.7F20 G37 I48 Y82 I95F20-V46 HydrophobicContact CD1-CG2 3.9Å; F20-V46 HydrophobicContact CE1-CG2 4.29Å; G37-V46 PolarHBondContact N-O 3.01Å; G37-V46 PolarHBondContact O-N 3.34Å; V46-I48 HydrophobicContact CG2-CD1 4.38Å; V46-I48 HydrophobicContact CG2-CG1 4.01Å; V46-Y82 HydrophobicContact CG1-CD2 4.08Å; V46-Y82 HydrophobicContact CG1-CE2 4.06Å; V46-I95 HydrophobicContact CB-CG2 3.98Å; V46-I95 HydrophobicContact CG1-CG2 4.18Å; V46-I95 HydrophobicContact CG2-CG2 4.07Å
47A95.7Very high91.2Very high8 Ų859.7 Ų59.77%0.06628%0.284CS..EExtended strand (participates in β ladder)trans-95.8134.8165.500000109V34 M96V34-A47 HydrophobicContact CG1-CB 4.37Å; A47-M96 HydrophobicContact CB-CB 4.44Å; A47-M96 PolarHBondContact N-O 2.85Å; A47-M96 PolarHBondContact O-N 3.28Å
48I94.8Very high90.1Very high0 Ų066.5 Ų66.50%032%0.32CS..EExtended strand (participates in β ladder)trans-119.5103.7-179.6-53-178.8000107.8F20 V34 Y35 V46 I50 W93 I95F20-I48 HydrophobicContact CB-CD1 4.04Å; V34-I48 WeakPolarHBondContact CA-O 3.27Å; Y35-I48 PolarHBondContact N-O 3.39Å; Y35-I48 PolarHBondContact O-N 3.14Å; V46-I48 HydrophobicContact CG2-CD1 4.38Å; V46-I48 HydrophobicContact CG2-CG1 4.01Å; I48-I50 HydrophobicContact CG2-CD1 4.22Å; I48-I50 HydrophobicContact CG2-CG1 3.8Å; I48-W93 HydrophobicContact CD1-CE3 4.16Å; I48-W93 HydrophobicContact CD1-CZ3 3.89Å; I48-W93 HydrophobicContact CG2-CB 4.35Å; I48-W93 HydrophobicContact CG2-CD2 3.82Å; I48-W93 HydrophobicContact CG2-CE3 3.42Å; I48-W93 VanDerWaalsContact CG2-CE3 3.42Å; I48-W93 HydrophobicContact CG2-CG 4.24Å; I48-W93 HydrophobicContact CG2-CZ3 4.02Å; I48-I95 HydrophobicContact CB-CD1 4.43Å; I48-I95 HydrophobicContact CD1-CD1 4.47Å; I48-I95 HydrophobicContact CG1-CD1 4.01Å; I48-I95 HydrophobicContact CG2-CD1 3.99Å
49K92.1Very high88.9Confident4 Ų466.8 Ų66.82%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-87.5118.1172.2-178.6174.8-177.9177.90108E33 V34 I51 E66 W93 I94 M96 D159E33-K49 WeakPolarHBondContact O-CA 3.49Å; V34-K49 HydrophobicContact CG2-CB 4.32Å; V34-K49 HydrophobicContact CG2-CG 4.25Å; K49-I51 HydrophobicContact CG-CG1 4.44Å; K49-E66 IonicContact NZ-OE1 3.19Å; K49-E66 PolarHBondContact NZ-OE1 3.24Å; K49-E66 IonicContact NZ-OE2 2.78Å; K49-W93 CarbonylContact O-C 3.55Å; K49-W93 WeakPolarHBondContact O-CA 3.37Å; K49-I94 HydrophobicContact CB-CB 4.27Å; K49-I94 PolarHBondContact N-O 2.82Å; K49-I94 PolarHBondContact O-N 3.39Å; K49-M96 HydrophobicContact CB-CE 3.8Å; K49-M96 HydrophobicContact CD-CE 4.18Å; K49-D159 IonicContact NZ-OD1 3.77Å; K49-D159 PolarHBondContact NZ-OD1 2.83Å
50I91.8Very high88.2Confident20 Ų2067.7 Ų67.710%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-108.7120-178.7-56.2-179.7000108.3K22 G32 E33 Y35 I48 K91 L92 W93K22-I50 HydrophobicContact CD-CD1 3.63Å; G32-I50 VanDerWaalsContact CA-O 3.32Å; G32-I50 WeakPolarHBondContact CA-O 3.49Å; E33-I50 PolarHBondContact N-O 3.29Å; E33-I50 PolarHBondContact O-N 3.08Å; Y35-I50 HydrophobicContact CD2-CD1 3.77Å; Y35-I50 HydrophobicContact CD2-CG1 4.12Å; Y35-I50 HydrophobicContact CE2-CD1 3.93Å; Y35-I50 HydrophobicContact CE2-CG1 4.41Å; I48-I50 HydrophobicContact CG2-CD1 4.22Å; I48-I50 HydrophobicContact CG2-CG1 3.8Å; I50-K91 HydrophobicContact CG2-CB 4.2Å; I50-K91 HydrophobicContact CG2-CD 4.33Å; I50-L92 WeakPolarHBondContact CA-O 3.5Å; I50-W93 HydrophobicContact CD1-CD2 4.21Å; I50-W93 HydrophobicContact CD1-CZ2 3.86Å; I50-W93 HydrophobicContact CG1-CD2 4.24Å; I50-W93 HydrophobicContact CG1-CG 4.19Å
51I89.9Confident87.4Confident0 Ų071.4 Ų71.40%034%0.341CS..EExtended strand (participates in β ladder)trans-112.1132.7178.7-60.4174000108.3F31 K49 L53 A56 I63 K91 L92 I94F31-I51 HydrophobicContact CB-CD1 3.77Å; F31-I51 HydrophobicContact CB-CG1 3.95Å; F31-I51 HydrophobicContact CB-CG2 4.32Å; F31-I51 WeakPolarHBondContact O-CG2 3.49Å; K49-I51 HydrophobicContact CG-CG1 4.44Å; I51-L53 HydrophobicContact CG2-CD2 4.25Å; I51-A56 HydrophobicContact CG2-CB 4.27Å; I51-I63 HydrophobicContact CD1-CD1 4.37Å; I51-I63 HydrophobicContact CD1-CG1 4.2Å; I51-I63 HydrophobicContact CD1-CG2 3.85Å; I51-I63 HydrophobicContact CG2-CD1 3.76Å; I51-K91 CarbonylContact O-C 3.45Å; I51-K91 WeakPolarHBondContact O-CA 3.3Å; I51-L92 HydrophobicContact CB-CB 4.41Å; I51-L92 PolarHBondContact N-O 3.4Å; I51-L92 PolarHBondContact O-N 3.11Å; I51-I94 HydrophobicContact CD1-CD1 3.76Å
52D89.3Confident86.6Confident33 Ų3362.5 Ų62.518%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-88.5109.9171.9-152.2-45.1000109.5E54 E55 A56 K91D52-E54 VanDerWaalsContact C-N 3.26Å; D52-E54 PolarHBondContact O-N 2.88Å; D52-E54 PolarHBondContact OD1-N 2.9Å; D52-E55 HydrophobicContact CB-CB 4.34Å; D52-E55 HydrophobicContact CB-CG 4.22Å; D52-E55 PolarHBondContact O-N 2.85Å; D52-A56 VanDerWaalsContact O-CB 3.31Å; D52-A56 WeakPolarHBondContact O-CB 3.5Å; D52-A56 PolarHBondContact O-N 2.91Å; D52-A56 VanDerWaalsContact O-N 3.16Å; D52-K91 VanDerWaalsContact OD2-CE 3.31Å; D52-K91 WeakPolarHBondContact OD2-CE 3.48Å; D52-K91 IonicContact OD2-NZ 4Å; D52-K91 PolarHBondContact OD2-NZ 3.02Å
53L85.8Confident85.9Confident27 Ų2759.9 Ų59.914%0.14129%0.293CS..THydrogen-bonded Turntrans-73.5-19.2-175.5-61.7179.6000112.6I51 E57 L86 T90 L92I51-L53 HydrophobicContact CG2-CD2 4.25Å; L53-E57 PolarHBondContact O-N 3.41Å; L53-L86 HydrophobicContact CD1-CD1 3.61Å; L53-T90 VanDerWaalsContact CB-O 3.32Å; L53-T90 WeakPolarHBondContact CB-O 3.43Å; L53-T90 WeakPolarHBondContact CG-O 3.49Å; L53-T90 PolarHBondContact N-O 2.83Å; L53-L92 HydrophobicContact CD1-CB 4.19Å; L53-L92 HydrophobicContact CD2-CB 4.03Å; L53-L92 HydrophobicContact CD2-CD2 4.26Å; L53-L92 HydrophobicContact CG-CB 4.09Å
54E86.1Confident85.3Confident146 Ų14655.9 Ų55.968%0.68228%0.276SS*.THydrogen-bonded Turntrans-72.2-37.2173.8-66.2-173.2161.600111D52 T90D52-E54 VanDerWaalsContact C-N 3.26Å; D52-E54 PolarHBondContact O-N 2.88Å; D52-E54 PolarHBondContact OD1-N 2.9Å; E54-T90 HydrophobicContact CG-CG2 3.89Å; E54-T90 WeakPolarHBondContact OE1-CG2 3.46Å
55E81.8Confident84.5Confident168 Ų16852.5 Ų52.579%0.78526%0.26SS*.THydrogen-bonded Turntrans-78.3-23.2176.5-61.8-174.517400112.6D52D52-E55 HydrophobicContact CB-CB 4.34Å; D52-E55 HydrophobicContact CB-CG 4.22Å; D52-E55 PolarHBondContact O-N 2.85Å
56A75.4Confident83.6Confident6 Ų649.9 Ų49.95%0.0524%0.244CC..THydrogen-bonded Turntrans-10624.8-173.700000113.9I51 D52 D58 E59 I60 I63I51-A56 HydrophobicContact CG2-CB 4.27Å; D52-A56 VanDerWaalsContact O-CB 3.31Å; D52-A56 WeakPolarHBondContact O-CB 3.5Å; D52-A56 PolarHBondContact O-N 2.91Å; D52-A56 VanDerWaalsContact O-N 3.16Å; A56-D58 VanDerWaalsContact C-N 3.29Å; A56-D58 PolarHBondContact O-N 2.92Å; A56-E59 HydrophobicContact CB-CB 4.32Å; A56-E59 CarbonylContact O-C 3.5Å; A56-E59 WeakPolarHBondContact O-CA 3.39Å; A56-E59 PolarHBondContact O-N 3.19Å; A56-I60 WeakPolarHBondContact O-CG1 3.39Å; A56-I60 PolarHBondContact O-N 3.11Å; A56-I63 HydrophobicContact CB-CD1 3.91Å
57E75.3Confident83Confident154 Ų15450.3 Ų50.372%0.7225%0.246SC*.G310 helixtrans-53-43-173.8-170.5175.9-169.900113.1L53 E59L53-E57 PolarHBondContact O-N 3.41Å; E57-E59 PolarHBondContact O-N 3.46Å
58D74.1Confident82.5Confident143 Ų14352.6 Ų52.677%0.76526%0.26SS*.G310 helixtrans-72-13.2178-66.8-36.6000113.8A56A56-D58 VanDerWaalsContact C-N 3.29Å; A56-D58 PolarHBondContact O-N 2.92Å
59E73.6Confident81.9Confident48 Ų4853 Ų5322%0.22426%0.262CS..G310 helixtrans-113-0.6-169.4-63.1171-159.800112.3F31 A56 E57 E61 D62 I63F31-E59 HydrophobicContact CD1-CB 4.43Å; F31-E59 WeakPolarHBondContact CD1-OE2 3.25Å; F31-E59 HydrophobicContact CE1-CB 4.22Å; F31-E59 HydrophobicContact CE1-CG 4.47Å; F31-E59 VanDerWaalsContact CE1-OE2 3.26Å; F31-E59 WeakPolarHBondContact CE1-OE2 3.41Å; A56-E59 HydrophobicContact CB-CB 4.32Å; A56-E59 CarbonylContact O-C 3.5Å; A56-E59 WeakPolarHBondContact O-CA 3.39Å; A56-E59 PolarHBondContact O-N 3.19Å; E57-E59 PolarHBondContact O-N 3.46Å; E59-E61 VanDerWaalsContact C-N 3.3Å; E59-E61 PolarHBondContact O-N 3.09Å; E59-D62 PolarHBondContact O-N 3.43Å; E59-I63 HydrophobicContact CB-CD1 4.37Å; E59-I63 WeakPolarHBondContact O-CG1 3.4Å; E59-I63 PolarHBondContact O-N 2.87Å
60I80.3Confident81.5Confident44 Ų4453 Ų5323%0.22626%0.262CS..Hα-helixtrans-56.3-42.1-178-65.2177.3000111.9A56 D62 I63 Q64A56-I60 WeakPolarHBondContact O-CG1 3.39Å; A56-I60 PolarHBondContact O-N 3.11Å; I60-D62 VanDerWaalsContact C-N 3.3Å; I60-D62 PolarHBondContact O-N 3.18Å; I60-I63 PolarHBondContact O-N 3.23Å; I60-Q64 HydrophobicContact CG2-CG 4.35Å; I60-Q64 WeakPolarHBondContact O-CB 3.08Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.39Å; I60-Q64 PolarHBondContact O-N 3.36Å
61E79.2Confident81.3Confident120 Ų12055.1 Ų55.156%0.56128%0.278SS*.Hα-helixtrans-62.6-39178.9-67-171.8174.300111.8E59 Q65 R173E59-E61 VanDerWaalsContact C-N 3.3Å; E59-E61 PolarHBondContact O-N 3.09Å; E61-Q65 WeakPolarHBondContact O-CB 3.3Å; E61-Q65 PolarHBondContact O-N 3.34Å; E61-R173 IonicContact OE2-CZ 3.76Å; E61-R173 IonicContact OE2-NE 3.95Å; E61-R173 IonicContact OE2-NH2 2.62Å; E61-R173 PolarHBondContact OE2-NH2 3.33Å
62D75.4Confident81.3Confident22 Ų2259.7 Ų59.712%0.11830%0.3CS..Hα-helixtrans-70.8-40.7179.7-70.1-22.1000110.8E59 I60 Q65 E66 V162E59-D62 PolarHBondContact O-N 3.43Å; I60-D62 VanDerWaalsContact C-N 3.3Å; I60-D62 PolarHBondContact O-N 3.18Å; D62-Q65 PolarHBondContact O-N 3.14Å; D62-E66 PolarHBondContact O-N 2.87Å; D62-V162 HydrophobicContact CB-CG1 3.99Å; D62-V162 HydrophobicContact CB-CG2 4.24Å; D62-V162 WeakPolarHBondContact OD1-CG1 3.48Å
63I80.5Confident81.3Confident3 Ų358.9 Ų58.92%0.01530%0.296CS..Hα-helixtrans-62.3-45174.7-65.9158.3000111.1F31 I51 A56 E59 I60 Q65 E66 I67 L92F31-I63 HydrophobicContact CD1-CD1 4.44Å; F31-I63 HydrophobicContact CD1-CG1 4.17Å; F31-I63 HydrophobicContact CG-CG1 4.18Å; I51-I63 HydrophobicContact CD1-CD1 4.37Å; I51-I63 HydrophobicContact CD1-CG1 4.2Å; I51-I63 HydrophobicContact CD1-CG2 3.85Å; I51-I63 HydrophobicContact CG2-CD1 3.76Å; A56-I63 HydrophobicContact CB-CD1 3.91Å; E59-I63 HydrophobicContact CB-CD1 4.37Å; E59-I63 WeakPolarHBondContact O-CG1 3.4Å; E59-I63 PolarHBondContact O-N 2.87Å; I60-I63 PolarHBondContact O-N 3.23Å; I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 3.39Å; I63-E66 PolarHBondContact O-N 2.86Å; I63-I67 HydrophobicContact CG2-CD1 4.06Å; I63-I67 WeakPolarHBondContact O-CG1 3.39Å; I63-I67 PolarHBondContact O-N 3.44Å; I63-L92 HydrophobicContact CG2-CD2 3.74Å
64Q81.6Confident81.6Confident51 Ų5164 Ų6424%0.23832%0.324CS..Hα-helixtrans-62.1-41.1177.2-76.3-179.91.500111.9L7 I60 I67 T68L7-Q64 HydrophobicContact CD1-CG 3.95Å; I60-Q64 HydrophobicContact CG2-CG 4.35Å; I60-Q64 WeakPolarHBondContact O-CB 3.08Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.39Å; I60-Q64 PolarHBondContact O-N 3.36Å; Q64-I67 PolarHBondContact O-N 3.44Å; Q64-T68 WeakPolarHBondContact O-CB 3.31Å; Q64-T68 PolarHBondContact O-N 2.84Å; Q64-T68 PolarHBondContact O-OG1 3.39Å
65Q77.9Confident82.1Confident42 Ų4257.4 Ų57.420%0.19629%0.294CS..Hα-helixtrans-65.1-42.7176.9-175.463.436.300111.4E61 D62 I63 T68 V69 A163E61-Q65 WeakPolarHBondContact O-CB 3.3Å; E61-Q65 PolarHBondContact O-N 3.34Å; D62-Q65 PolarHBondContact O-N 3.14Å; I63-Q65 VanDerWaalsContact C-N 3.31Å; I63-Q65 PolarHBondContact O-N 3.39Å; Q65-T68 PolarHBondContact O-N 2.9Å; Q65-V69 WeakPolarHBondContact O-CG2 3.47Å; Q65-V69 PolarHBondContact O-N 3.33Å; Q65-A163 VanDerWaalsContact CG-O 3.22Å; Q65-A163 WeakPolarHBondContact CG-O 3.33Å; Q65-A163 PolarHBondContact NE2-O 3.27Å
66E78.9Confident82.8Confident6 Ų653.2 Ų53.23%0.02828%0.282CS..Hα-helixtrans-57.6-50175.2-177.9-179.4155.700111F31 K49 D62 I63 T68 V69 L70 F160F31-E66 WeakPolarHBondContact CE2-OE2 3.37Å; K49-E66 IonicContact NZ-OE1 3.19Å; K49-E66 PolarHBondContact NZ-OE1 3.24Å; K49-E66 IonicContact NZ-OE2 2.78Å; D62-E66 PolarHBondContact O-N 2.87Å; I63-E66 PolarHBondContact O-N 2.86Å; E66-T68 VanDerWaalsContact C-N 3.32Å; E66-T68 PolarHBondContact O-N 2.83Å; E66-V69 PolarHBondContact O-N 2.94Å; E66-L70 VanDerWaalsContact O-CB 3.3Å; E66-L70 WeakPolarHBondContact O-CB 3.49Å; E66-L70 PolarHBondContact O-N 2.85Å; E66-F160 HydrophobicContact CG-CB 4.37Å
67I83.8Confident83.9Confident11 Ų1155.2 Ų55.26%0.05629%0.289CS..Hα-helixtrans-60.6-43.1177.9-67.5168.3000110.9I63 Q64 L70 S71 Y81 L92 I94I63-I67 HydrophobicContact CG2-CD1 4.06Å; I63-I67 WeakPolarHBondContact O-CG1 3.39Å; I63-I67 PolarHBondContact O-N 3.44Å; Q64-I67 PolarHBondContact O-N 3.44Å; I67-L70 PolarHBondContact O-N 2.82Å; I67-S71 VanDerWaalsContact O-CB 3.25Å; I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.32Å; I67-S71 PolarHBondContact O-OG 2.94Å; I67-Y81 HydrophobicContact CG2-CE2 3.99Å; I67-L92 HydrophobicContact CD1-CD2 3.69Å; I67-I94 HydrophobicContact CD1-CD1 3.77Å; I67-I94 HydrophobicContact CD1-CG1 4Å; I67-I94 HydrophobicContact CG1-CD1 3.81Å; I67-I94 HydrophobicContact CG1-CG1 4.27Å
68T84.8Confident84.8Confident57 Ų5748 Ų4835%0.3526%0.256SS..Hα-helixtrans-60.8-48.7179.4-60.80000110.9Q64 Q65 E66 S71 Q72Q64-T68 WeakPolarHBondContact O-CB 3.31Å; Q64-T68 PolarHBondContact O-N 2.84Å; Q64-T68 PolarHBondContact O-OG1 3.39Å; Q65-T68 PolarHBondContact O-N 2.9Å; E66-T68 VanDerWaalsContact C-N 3.32Å; E66-T68 PolarHBondContact O-N 2.83Å; T68-S71 PolarHBondContact O-N 2.79Å; T68-S71 PolarHBondContact O-OG 2.81Å; T68-Q72 VanDerWaalsContact O-CG 3.32Å; T68-Q72 WeakPolarHBondContact O-CG 3.27Å; T68-Q72 PolarHBondContact O-N 3.23Å
69V82.6Confident85.8Confident7 Ų741.5 Ų41.54%0.04222%0.221CC..Hα-helixtrans-62.8-46.9178.4172.30000110.9Q65 E66 S71 Q72 C73 K137 F160 A163Q65-V69 WeakPolarHBondContact O-CG2 3.47Å; Q65-V69 PolarHBondContact O-N 3.33Å; E66-V69 PolarHBondContact O-N 2.94Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 3.28Å; V69-Q72 PolarHBondContact O-N 2.94Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; V69-C73 PolarHBondContact O-N 3.09Å; V69-C73 PolarHBondContact O-SG 3.08Å; V69-C73 VanDerWaalsContact O-SG 3.34Å; V69-K137 HydrophobicContact CG1-CD 3.95Å; V69-K137 HydrophobicContact CG1-CG 4.38Å; V69-F160 HydrophobicContact CG1-CD1 4.2Å; V69-A163 HydrophobicContact CB-CB 4.18Å; V69-A163 HydrophobicContact CG1-CB 3.96Å; V69-A163 HydrophobicContact CG2-CB 3.96Å; V69-A163 WeakPolarHBondContact CG2-O 3.31Å
70L84.1Confident86.7Confident5 Ų543.5 Ų43.53%0.02623%0.229CC..Hα-helixtrans-64-38.7-178.5-16971.5000111.8E66 I67 Q72 C73 V78 Y81 M96 F160E66-L70 VanDerWaalsContact O-CB 3.3Å; E66-L70 WeakPolarHBondContact O-CB 3.49Å; E66-L70 PolarHBondContact O-N 2.85Å; I67-L70 PolarHBondContact O-N 2.82Å; L70-Q72 PolarHBondContact O-N 3.16Å; L70-C73 WeakPolarHBondContact O-CB 3.21Å; L70-C73 PolarHBondContact O-N 3.26Å; L70-C73 VanDerWaalsContact O-N 3.14Å; L70-V78 HydrophobicContact CD1-CG1 4.36Å; L70-Y81 HydrophobicContact CD2-CD2 4.1Å; L70-Y81 HydrophobicContact CD2-CG 4.38Å; L70-M96 HydrophobicContact CD2-CG 4.39Å; L70-M96 HydrophobicContact CD2-SD 3.93Å; L70-F160 HydrophobicContact CD1-CD2 3.52Å; L70-F160 HydrophobicContact CD1-CE2 3.36Å
71S87.8Confident87.3Confident64 Ų6444.1 Ų44.145%0.44823%0.229SC..Hα-helixtrans-65.7-21.8176.874.30000114I67 T68 V69I67-S71 VanDerWaalsContact O-CB 3.25Å; I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.32Å; I67-S71 PolarHBondContact O-OG 2.94Å; T68-S71 PolarHBondContact O-N 2.79Å; T68-S71 PolarHBondContact O-OG 2.81Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 3.28Å
72Q88.6Confident87.9Confident97 Ų9743.8 Ų43.845%0.45322%0.223SC..THydrogen-bonded Turntrans-93.4-2.3177.5-66.6171.9800112.9T68 V69 L70T68-Q72 VanDerWaalsContact O-CG 3.32Å; T68-Q72 WeakPolarHBondContact O-CG 3.27Å; T68-Q72 PolarHBondContact O-N 3.23Å; V69-Q72 PolarHBondContact O-N 2.94Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; L70-Q72 PolarHBondContact O-N 3.16Å
73C89.9Confident88.7Confident15 Ų1543.2 Ų43.210%0.10122%0.223CC..  trans-91122178.1-72.80000110.1V69 L70 V78 Y131V69-C73 PolarHBondContact O-N 3.09Å; V69-C73 PolarHBondContact O-SG 3.08Å; V69-C73 VanDerWaalsContact O-SG 3.34Å; L70-C73 WeakPolarHBondContact O-CB 3.21Å; L70-C73 PolarHBondContact O-N 3.26Å; L70-C73 VanDerWaalsContact O-N 3.14Å; C73-V78 HydrophobicContact CB-CG1 3.89Å; C73-Y131 WeakPolarHBondContact CA-OH 3.13Å; C73-Y131 HydrophobicContact CB-CE1 4.32Å
74D92.6Very high89.2Confident134 Ų13443.9 Ų43.972%0.71723%0.227SC*.  trans-129.691.7169.9-175.120000108.8Y131D74-Y131 PolarHBondContact N-OH 3.35Å; D74-Y131 PolarHBondContact O-OH 3.2Å
75S95.8Very high89.7Confident8 Ų842.3 Ų42.36%0.05622%0.22CC..  trans-152.2141.6-178.6174.90000110.2F77 V78 Y131S75-F77 PolarHBondContact O-N 2.89Å; S75-F77 VanDerWaalsContact O-N 3.15Å; S75-F77 PolarHBondContact OG-N 2.81Å; S75-V78 PolarHBondContact O-N 3.24Å; S75-V78 VanDerWaalsContact O-O 3.1Å; S75-Y131 VanDerWaalsContact CB-CD1 3.46Å
76P97Very high90.2Very high81 Ų8142.6 Ų42.653%0.52622%0.222SC..THydrogen-bonded Turntrans-66.1-12.9174.628.5-35.1000113.2K156P76-K156 WeakPolarHBondContact O-CD 3.35Å; P76-K156 WeakPolarHBondContact O-CE 3.43Å; P76-K156 WeakPolarHBondContact O-CG 3.47Å
77F97.4Very high90.5Very high48 Ų4843.9 Ų43.921%0.21123%0.227CC..THydrogen-bonded Turntrans-100.26.1-178.9-50.2-64.7000113.4S75 E124 K127 K156 L157S75-F77 PolarHBondContact O-N 2.89Å; S75-F77 VanDerWaalsContact O-N 3.15Å; S75-F77 PolarHBondContact OG-N 2.81Å; F77-E124 VanDerWaalsContact CE1-OE2 3.25Å; F77-E124 WeakPolarHBondContact CE1-OE2 3.14Å; F77-K127 HydrophobicContact CD1-CB 4.01Å; F77-K127 HydrophobicContact CD1-CD 4.19Å; F77-K127 HydrophobicContact CD2-CB 3.63Å; F77-K127 HydrophobicContact CE1-CB 4.08Å; F77-K127 HydrophobicContact CE1-CD 3.49Å; F77-K127 VanDerWaalsContact CE1-CD 3.49Å; F77-K127 HydrophobicContact CE1-CG 4.49Å; F77-K127 HydrophobicContact CE2-CB 3.68Å; F77-K127 HydrophobicContact CE2-CD 3.88Å; F77-K127 HydrophobicContact CE2-CG 4.36Å; F77-K127 HydrophobicContact CG-CB 3.82Å; F77-K127 HydrophobicContact CZ-CB 3.94Å; F77-K127 HydrophobicContact CZ-CD 3.32Å; F77-K127 HydrophobicContact CZ-CG 4.26Å; F77-K156 WeakPolarHBondContact O-CA 3.27Å; F77-L157 PolarHBondContact O-N 3.03Å
78V95.4Very high90.4Very high2 Ų251.9 Ų51.91%0.01226%0.262CS..BIsolated β-bridgetrans-127.6142.1177.4176.20000108.3L70 C73 S75 K80 Y131 L132 F160L70-V78 HydrophobicContact CD1-CG1 4.36Å; C73-V78 HydrophobicContact CB-CG1 3.89Å; S75-V78 PolarHBondContact O-N 3.24Å; S75-V78 VanDerWaalsContact O-O 3.1Å; V78-K80 PolarHBondContact O-N 2.96Å; V78-Y131 HydrophobicContact CG2-CD1 4.06Å; V78-Y131 HydrophobicContact CG2-CE1 4.31Å; V78-L132 HydrophobicContact CG2-CD2 4.19Å; V78-L132 HydrophobicContact CG2-CG 4.37Å; V78-F160 HydrophobicContact CB-CZ 4.49Å; V78-F160 HydrophobicContact CG1-CE2 3.5Å; V78-F160 VanDerWaalsContact CG1-CE2 3.5Å; V78-F160 HydrophobicContact CG1-CZ 3.44Å; V78-F160 VanDerWaalsContact CG1-CZ 3.44Å; V78-F160 HydrophobicContact CG2-CZ 4.22Å
79T93.4Very high90.1Very high6 Ų651.6 Ų51.64%0.03727%0.27CS..PPolyproline II helixtrans-58.9130.6175.846.90000111.3L99 L148 K156 L157 A158T79-L99 HydrophobicContact CG2-CD1 3.7Å; T79-L148 HydrophobicContact CG2-CD1 4.35Å; T79-K156 HydrophobicContact CG2-CB 4.47Å; T79-L157 PolarHBondContact N-O 2.98Å; T79-L157 PolarHBondContact OG1-O 2.84Å; T79-A158 HydrophobicContact CG2-CB 3.68Å
80K93Very high90.2Very high91 Ų9153 Ų5340%0.39628%0.279SS..PPolyproline II helixtrans-72.5136.7176.9-62.2-179.2175.3-177.40111.1V78 Y82 M96 E97V78-K80 PolarHBondContact O-N 2.96Å; K80-Y82 HydrophobicContact CB-CE1 3.96Å; K80-Y82 HydrophobicContact CD-CE1 4.38Å; K80-M96 CarbonylContact O-C 3.6Å; K80-M96 VanDerWaalsContact O-CA 3.28Å; K80-M96 WeakPolarHBondContact O-CA 3.02Å; K80-E97 HydrophobicContact CB-CB 4.06Å; K80-E97 PolarHBondContact N-OE2 2.96Å; K80-E97 PolarHBondContact O-N 2.93Å
81Y92.6Very high90.5Very high57 Ų5757 Ų5722%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-94.1132.3167.6168.6-98000110.2I67 L70 G83 S84 I94I67-Y81 HydrophobicContact CG2-CE2 3.99Å; L70-Y81 HydrophobicContact CD2-CD2 4.1Å; L70-Y81 HydrophobicContact CD2-CG 4.38Å; Y81-G83 VanDerWaalsContact CE2-C 3.42Å; Y81-G83 WeakPolarHBondContact CE2-O 3.33Å; Y81-G83 VanDerWaalsContact OH-C 3.23Å; Y81-G83 WeakPolarHBondContact OH-CA 3.24Å; Y81-S84 PolarHBondContact OH-N 2.81Å; Y81-S84 PolarHBondContact OH-OG 3.27Å; Y81-I94 HydrophobicContact CD2-CG2 4.01Å; Y81-I94 HydrophobicContact CE2-CG2 3.98Å
82Y92.3Very high90.6Very high113 Ų11354.7 Ų54.744%0.44328%0.279SS..EExtended strand (participates in β ladder)trans-106.3-21.7179.6-62.5-40.4000113.4V46 K80 I95 E97V46-Y82 HydrophobicContact CG1-CD2 4.08Å; V46-Y82 HydrophobicContact CG1-CE2 4.06Å; K80-Y82 HydrophobicContact CB-CE1 3.96Å; K80-Y82 HydrophobicContact CD-CE1 4.38Å; Y82-I95 HydrophobicContact CD2-CG2 4.13Å; Y82-I95 PolarHBondContact N-O 2.97Å; Y82-E97 HydrophobicContact CE2-CB 4.42Å
83G91.6Very high90.9Very high10 Ų1050.3 Ų50.310%0.10326%0.258CS..EExtended strand (participates in β ladder)trans151.6171.1-179.700000112.6Y81 I95Y81-G83 VanDerWaalsContact CE2-C 3.42Å; Y81-G83 WeakPolarHBondContact CE2-O 3.33Å; Y81-G83 VanDerWaalsContact OH-C 3.23Å; Y81-G83 WeakPolarHBondContact OH-CA 3.24Å; G83-I95 PolarHBondContact O-N 3.31Å
84S91.4Very high91Very high16 Ų1649.8 Ų49.811%0.11225%0.254CS..EExtended strand (participates in β ladder)trans-132.9146.6173.352.70000111.9Y81 W93Y81-S84 PolarHBondContact OH-N 2.81Å; Y81-S84 PolarHBondContact OH-OG 3.27Å; S84-W93 CarbonylContact C-O 3.52Å; S84-W93 WeakPolarHBondContact CA-O 3.18Å; S84-W93 WeakPolarHBondContact CB-O 3.41Å
85Y91.6Very high91Very high19 Ų1943.4 Ų43.48%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-134.4138.4-174.2-60.1-98.8000109.9N11 P16 F20 W93 I95N11-Y85 HydrophobicContact CB-CD1 4.03Å; N11-Y85 HydrophobicContact CB-CE1 3.7Å; N11-Y85 PolarHBondContact ND2-OH 3.39Å; P16-Y85 HydrophobicContact CB-CD1 4.46Å; P16-Y85 HydrophobicContact CB-CG 4.01Å; F20-Y85 HydrophobicContact CD2-CE2 4.5Å; F20-Y85 HydrophobicContact CE2-CD2 4.32Å; F20-Y85 AromaticContact CE2-CE2 3.61Å; F20-Y85 HydrophobicContact CE2-CE2 3.61Å; F20-Y85 AromaticContact CE2-CZ 3.8Å; F20-Y85 HydrophobicContact CZ-CE2 4.32Å; Y85-W93 PolarHBondContact N-O 3.47Å; Y85-W93 PolarHBondContact O-N 2.85Å; Y85-I95 HydrophobicContact CD2-CD1 4.38Å; Y85-I95 HydrophobicContact CD2-CG1 3.78Å; Y85-I95 HydrophobicContact CE2-CG1 3.69Å
86L89.6Confident90.9Very high48 Ų4843.9 Ų43.925%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-100.6106.3178.5-174.462.2000109.9L53L53-L86 HydrophobicContact CD1-CD1 3.61Å
87K84.8Confident90.8Very high32 Ų3241.8 Ų41.814%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-87.4122.7178.6-171.7-178.9-172.6-168.70110.3P16 E17 G89 T90 K91 W93P16-K87 HydrophobicContact CG-CB 3.96Å; P16-K87 HydrophobicContact CG-CD 4.49Å; P16-K87 HydrophobicContact CG-CG 4.35Å; E17-K87 IonicContact OE1-NZ 3.39Å; E17-K87 PolarHBondContact OE1-NZ 3.38Å; E17-K87 WeakPolarHBondContact OE2-CE 3.41Å; E17-K87 IonicContact OE2-NZ 3.39Å; E17-K87 PolarHBondContact OE2-NZ 3.16Å; K87-G89 PolarHBondContact O-N 3.26Å; K87-T90 PolarHBondContact O-N 3.08Å; K87-K91 HydrophobicContact CB-CB 4.34Å; K87-K91 PolarHBondContact N-O 3.07Å; K87-K91 PolarHBondContact O-N 3.46Å; K87-K91 VanDerWaalsContact O-N 3.1Å; K87-W93 HydrophobicContact CD-CZ2 4.09Å
88K81.6Confident90.7Very high180 Ų18042.5 Ų42.578%0.78321%0.206SC*.THydrogen-bonded Turntrans5224.1175.8-62.8-178.5179-175.80114.5T90K88-T90 PolarHBondContact O-N 3.17Å
89G78.3Confident90.8Very high50 Ų5043.1 Ų43.152%0.51521%0.209SC..THydrogen-bonded Turntrans78.1-12.7179.600000116.1K87K87-G89 PolarHBondContact O-N 3.26Å
90T85.8Confident90.9Very high37 Ų3743.7 Ų43.723%0.22722%0.217CC..THydrogen-bonded Turntrans-117.3-28.9-171.960.40000113.9L53 E54 K87 K88L53-T90 VanDerWaalsContact CB-O 3.32Å; L53-T90 WeakPolarHBondContact CB-O 3.43Å; L53-T90 WeakPolarHBondContact CG-O 3.49Å; L53-T90 PolarHBondContact N-O 2.83Å; E54-T90 HydrophobicContact CG-CG2 3.89Å; E54-T90 WeakPolarHBondContact OE1-CG2 3.46Å; K87-T90 PolarHBondContact O-N 3.08Å; K88-T90 PolarHBondContact O-N 3.17Å
91K89.9Confident91Very high90 Ų9039.4 Ų39.439%0.39120%0.198SC..EExtended strand (participates in β ladder)trans-108.7117.2-177.1-58.3-161.9179-138.90111.7I50 I51 D52 K87I50-K91 HydrophobicContact CG2-CB 4.2Å; I50-K91 HydrophobicContact CG2-CD 4.33Å; I51-K91 CarbonylContact O-C 3.45Å; I51-K91 WeakPolarHBondContact O-CA 3.3Å; D52-K91 VanDerWaalsContact OD2-CE 3.31Å; D52-K91 WeakPolarHBondContact OD2-CE 3.48Å; D52-K91 IonicContact OD2-NZ 4Å; D52-K91 PolarHBondContact OD2-NZ 3.02Å; K87-K91 HydrophobicContact CB-CB 4.34Å; K87-K91 PolarHBondContact N-O 3.07Å; K87-K91 PolarHBondContact O-N 3.46Å; K87-K91 VanDerWaalsContact O-N 3.1Å
92L91Very high91.1Very high15 Ų1537.7 Ų37.78%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-89.5119.7175.1-176.963000110I50 I51 L53 I63 I67 I94I50-L92 WeakPolarHBondContact CA-O 3.5Å; I51-L92 HydrophobicContact CB-CB 4.41Å; I51-L92 PolarHBondContact N-O 3.4Å; I51-L92 PolarHBondContact O-N 3.11Å; L53-L92 HydrophobicContact CD1-CB 4.19Å; L53-L92 HydrophobicContact CD2-CB 4.03Å; L53-L92 HydrophobicContact CD2-CD2 4.26Å; L53-L92 HydrophobicContact CG-CB 4.09Å; I63-L92 HydrophobicContact CG2-CD2 3.74Å; I67-L92 HydrophobicContact CD1-CD2 3.69Å; L92-I94 HydrophobicContact CD2-CG1 4.47Å; L92-I94 HydrophobicContact CG-CG1 4.27Å
93W93.1Very high91.2Very high5 Ų532.8 Ų32.82%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-98.3123.6173.8-72.438.3000108.6P16 E17 F20 K22 I48 K49 I50 S84 Y85 K87 I95P16-W93 HydrophobicContact CB-CD2 3.9Å; P16-W93 HydrophobicContact CB-CE3 3.62Å; P16-W93 HydrophobicContact CB-CG 4.32Å; P16-W93 HydrophobicContact CB-CZ3 4.08Å; P16-W93 HydrophobicContact CG-CD2 3.77Å; P16-W93 HydrophobicContact CG-CE3 3.98Å; P16-W93 HydrophobicContact CG-CG 4.03Å; P16-W93 HydrophobicContact CG-CZ3 4.44Å; E17-W93 HydrophobicContact CG-CH2 3.84Å; E17-W93 HydrophobicContact CG-CZ2 4.28Å; F20-W93 HydrophobicContact CB-CZ3 4.44Å; K22-W93 HydrophobicContact CB-CH2 4.01Å; K22-W93 HydrophobicContact CB-CZ3 4.47Å; K22-W93 HydrophobicContact CD-CH2 4.41Å; I48-W93 HydrophobicContact CD1-CE3 4.16Å; I48-W93 HydrophobicContact CD1-CZ3 3.89Å; I48-W93 HydrophobicContact CG2-CB 4.35Å; I48-W93 HydrophobicContact CG2-CD2 3.82Å; I48-W93 HydrophobicContact CG2-CE3 3.42Å; I48-W93 VanDerWaalsContact CG2-CE3 3.42Å; I48-W93 HydrophobicContact CG2-CG 4.24Å; I48-W93 HydrophobicContact CG2-CZ3 4.02Å; K49-W93 CarbonylContact O-C 3.55Å; K49-W93 WeakPolarHBondContact O-CA 3.37Å; I50-W93 HydrophobicContact CD1-CD2 4.21Å; I50-W93 HydrophobicContact CD1-CZ2 3.86Å; I50-W93 HydrophobicContact CG1-CD2 4.24Å; I50-W93 HydrophobicContact CG1-CG 4.19Å; S84-W93 CarbonylContact C-O 3.52Å; S84-W93 WeakPolarHBondContact CA-O 3.18Å; S84-W93 WeakPolarHBondContact CB-O 3.41Å; Y85-W93 PolarHBondContact N-O 3.47Å; Y85-W93 PolarHBondContact O-N 2.85Å; K87-W93 HydrophobicContact CD-CZ2 4.09Å; W93-I95 HydrophobicContact CB-CD1 4.32Å; W93-I95 HydrophobicContact CE3-CD1 4.33Å
94I91.9Very high91.5Very high3 Ų332.3 Ų32.32%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-110.4116.2174.3-56.9171.2000107K49 I51 I67 Y81 L92 M96K49-I94 HydrophobicContact CB-CB 4.27Å; K49-I94 PolarHBondContact N-O 2.82Å; K49-I94 PolarHBondContact O-N 3.39Å; I51-I94 HydrophobicContact CD1-CD1 3.76Å; I67-I94 HydrophobicContact CD1-CD1 3.77Å; I67-I94 HydrophobicContact CD1-CG1 4Å; I67-I94 HydrophobicContact CG1-CD1 3.81Å; I67-I94 HydrophobicContact CG1-CG1 4.27Å; Y81-I94 HydrophobicContact CD2-CG2 4.01Å; Y81-I94 HydrophobicContact CE2-CG2 3.98Å; L92-I94 HydrophobicContact CD2-CG1 4.47Å; L92-I94 HydrophobicContact CG-CG1 4.27Å; I94-M96 HydrophobicContact CG2-CG 3.9Å; I94-M96 HydrophobicContact CG2-SD 4.1Å
95I94.4Very high91.7Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-95.8124.2-176.9-45-57.3000108.8F20 V46 I48 Y82 G83 Y85 W93F20-I95 HydrophobicContact CD1-CG2 4.29Å; F20-I95 HydrophobicContact CD2-CD1 4.06Å; F20-I95 HydrophobicContact CD2-CG1 4.28Å; F20-I95 HydrophobicContact CE1-CG1 4.49Å; F20-I95 HydrophobicContact CE1-CG2 3.69Å; F20-I95 HydrophobicContact CE2-CD1 4.16Å; F20-I95 HydrophobicContact CE2-CG1 3.86Å; F20-I95 HydrophobicContact CG-CD1 4.32Å; F20-I95 HydrophobicContact CZ-CB 4.4Å; F20-I95 HydrophobicContact CZ-CD1 4.49Å; F20-I95 HydrophobicContact CZ-CG1 3.98Å; F20-I95 HydrophobicContact CZ-CG2 3.83Å; V46-I95 HydrophobicContact CB-CG2 3.98Å; V46-I95 HydrophobicContact CG1-CG2 4.18Å; V46-I95 HydrophobicContact CG2-CG2 4.07Å; I48-I95 HydrophobicContact CB-CD1 4.43Å; I48-I95 HydrophobicContact CD1-CD1 4.47Å; I48-I95 HydrophobicContact CG1-CD1 4.01Å; I48-I95 HydrophobicContact CG2-CD1 3.99Å; Y82-I95 HydrophobicContact CD2-CG2 4.13Å; Y82-I95 PolarHBondContact N-O 2.97Å; G83-I95 PolarHBondContact O-N 3.31Å; Y85-I95 HydrophobicContact CD2-CD1 4.38Å; Y85-I95 HydrophobicContact CD2-CG1 3.78Å; Y85-I95 HydrophobicContact CE2-CG1 3.69Å; W93-I95 HydrophobicContact CB-CD1 4.32Å; W93-I95 HydrophobicContact CE3-CD1 4.33Å
96M93.5Very high91.9Very high18 Ų1835 Ų359%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-135.1165.7-174.1-55.5-178.3-65.800111.4A47 K49 L70 K80 I94 Y98A47-M96 HydrophobicContact CB-CB 4.44Å; A47-M96 PolarHBondContact N-O 2.85Å; A47-M96 PolarHBondContact O-N 3.28Å; K49-M96 HydrophobicContact CB-CE 3.8Å; K49-M96 HydrophobicContact CD-CE 4.18Å; L70-M96 HydrophobicContact CD2-CG 4.39Å; L70-M96 HydrophobicContact CD2-SD 3.93Å; K80-M96 CarbonylContact O-C 3.6Å; K80-M96 VanDerWaalsContact O-CA 3.28Å; K80-M96 WeakPolarHBondContact O-CA 3.02Å; I94-M96 HydrophobicContact CG2-CG 3.9Å; I94-M96 HydrophobicContact CG2-SD 4.1Å; M96-Y98 PolarHBondContact O-N 3.43Å
97E94.4Very high92.2Very high37 Ų3732.7 Ų32.717%0.17318%0.177CC..EExtended strand (participates in β ladder)trans-56.7132.6169-176.5175.7-160.900111.6K80 Y82 K156K80-E97 HydrophobicContact CB-CB 4.06Å; K80-E97 PolarHBondContact N-OE2 2.96Å; K80-E97 PolarHBondContact O-N 2.93Å; Y82-E97 HydrophobicContact CE2-CB 4.42Å; E97-K156 IonicContact OE1-NZ 2.75Å; E97-K156 PolarHBondContact OE1-NZ 2.82Å; E97-K156 IonicContact OE2-NZ 3.57Å; E97-K156 PolarHBondContact OE2-NZ 2.57Å
98Y96Very high92.7Very high64 Ų6432 Ų3225%0.25118%0.175SC..  trans-87.5130.3172.9179.7-107.2000111.1I26 K36 V45 M96 G100I26-Y98 HydrophobicContact CD1-CD2 4.03Å; I26-Y98 HydrophobicContact CD1-CE2 3.74Å; K36-Y98 HydrophobicContact CG-CD2 4.45Å; K36-Y98 HydrophobicContact CG-CE2 4.17Å; V45-Y98 HydrophobicContact CB-CD1 4.2Å; V45-Y98 HydrophobicContact CG1-CD1 3.52Å; V45-Y98 HydrophobicContact CG1-CD2 4.34Å; V45-Y98 HydrophobicContact CG1-CE1 4.02Å; V45-Y98 HydrophobicContact CG1-CG 3.69Å; M96-Y98 PolarHBondContact O-N 3.43Å; Y98-G100 VanDerWaalsContact CE1-CA 3.45Å
99L96.2Very high93.4Very high14 Ų1429.4 Ų29.47%0.07316%0.16CC..  trans-118.292.3179.1-70.7171.2000109.4T79 G101 G102 L148 L149 K156T79-L99 HydrophobicContact CG2-CD1 3.7Å; L99-G101 PolarHBondContact O-N 2.86Å; L99-G102 PolarHBondContact O-N 2.8Å; L99-L148 HydrophobicContact CB-CB 3.99Å; L99-L148 HydrophobicContact CD1-CB 3.37Å; L99-L148 HydrophobicContact CD1-CD1 4.07Å; L99-L148 HydrophobicContact CD1-CG 4.35Å; L99-L148 HydrophobicContact CG-CB 4.32Å; L99-L149 CarbonylContact C-O 3.6Å; L99-L149 VanDerWaalsContact C-O 3.23Å; L99-L149 WeakPolarHBondContact CB-O 3.31Å; L99-K156 HydrophobicContact CD1-CB 3.86Å; L99-K156 HydrophobicContact CD1-CD 4.14Å; L99-K156 HydrophobicContact CD1-CG 4.13Å; L99-K156 HydrophobicContact CD2-CD 4.16Å; L99-K156 HydrophobicContact CD2-CG 4.4Å
100G94.9Very high94.1Very high19 Ų1928.7 Ų28.720%0.19615%0.146CC..THydrogen-bonded Turntrans-74.4-0.9-170.200000116.4Y98 G102Y98-G100 VanDerWaalsContact CE1-CA 3.45Å; G100-G102 VanDerWaalsContact C-N 3.32Å
101G95.1Very high94.5Very high1 Ų127.9 Ų27.91%0.0115%0.145CC..THydrogen-bonded Turntrans-80.6-11.1174.400000113.9L99 L149L99-G101 PolarHBondContact O-N 2.86Å; G101-L149 WeakPolarHBondContact CA-O 3.47Å; G101-L149 PolarHBondContact N-O 3.42Å
102G94.7Very high94.8Very high20 Ų2028.7 Ų28.721%0.20616%0.16CC..EExtended strand (participates in β ladder)trans82.6-174.8-175.800000113L99 G100 L149L99-G102 PolarHBondContact O-N 2.8Å; G100-G102 VanDerWaalsContact C-N 3.32Å; G102-L149 PolarHBondContact O-N 2.82Å
103S96.3Very high95.1Very high10 Ų1028.5 Ų28.57%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-83.3158.9174.970.30000111.8L105 D106 L107 A145 V147S103-L105 PolarHBondContact O-N 2.79Å; S103-L105 PolarHBondContact OG-N 2.83Å; S103-D106 WeakPolarHBondContact CB-OD2 3.22Å; S103-D106 PolarHBondContact N-OD2 2.79Å; S103-D106 WeakPolarHBondContact O-CB 3.4Å; S103-D106 PolarHBondContact O-N 2.95Å; S103-D106 PolarHBondContact OG-N 3.4Å; S103-D106 VanDerWaalsContact OG-N 3.08Å; S103-D106 PolarHBondContact OG-OD2 3.02Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-A145 WeakPolarHBondContact CB-O 3.38Å; S103-V147 CarbonylContact C-O 3.37Å; S103-V147 VanDerWaalsContact CA-O 3.3Å; S103-V147 WeakPolarHBondContact CA-O 3.31Å
104A97.7Very high95.3Very high0 Ų033.9 Ų33.90%018%0.184CC..THydrogen-bonded Turntrans-61.2-27.5172.400000111.7L107 L108 A144 V147 L149 L209A104-L107 PolarHBondContact O-N 2.62Å; A104-L108 PolarHBondContact O-N 3.38Å; A104-A144 HydrophobicContact CB-CB 4.18Å; A104-A144 PolarHBondContact N-O 3.48Å; A104-V147 HydrophobicContact CB-CB 4.03Å; A104-V147 HydrophobicContact CB-CG1 4.06Å; A104-V147 PolarHBondContact N-O 2.9Å; A104-L149 HydrophobicContact CB-CD1 4.24Å; A104-L209 HydrophobicContact CB-CD2 3.93Å
105L95.7Very high95.6Very high55 Ų5535.3 Ų35.329%0.28819%0.191SC..THydrogen-bonded Turntrans-64.9-41.4170.7-177.162.8000112S103 L107 L108 A144 A145S103-L105 PolarHBondContact O-N 2.79Å; S103-L105 PolarHBondContact OG-N 2.83Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 2.79Å; L105-L108 HydrophobicContact CD1-CD1 4.3Å; L105-L108 WeakPolarHBondContact O-CB 3.15Å; L105-L108 PolarHBondContact O-N 3.41Å; L105-A144 HydrophobicContact CB-CB 4.05Å; L105-A144 PolarHBondContact N-O 2.81Å; L105-A145 HydrophobicContact CB-CB 4.37Å; L105-A145 HydrophobicContact CD2-CB 3.92Å
106D95.1Very high95.8Very high36 Ų3636.7 Ų36.719%0.19320%0.199CC..G310 helixtrans-63.5-38.1176.5-63.9-50.4000111.9S103 L108 R109 Y288S103-D106 WeakPolarHBondContact CB-OD2 3.22Å; S103-D106 PolarHBondContact N-OD2 2.79Å; S103-D106 WeakPolarHBondContact O-CB 3.4Å; S103-D106 PolarHBondContact O-N 2.95Å; S103-D106 PolarHBondContact OG-N 3.4Å; S103-D106 VanDerWaalsContact OG-N 3.08Å; S103-D106 PolarHBondContact OG-OD2 3.02Å; D106-L108 PolarHBondContact O-N 2.76Å; D106-R109 WeakPolarHBondContact O-CB 3.41Å; D106-R109 WeakPolarHBondContact O-CG 3.5Å; D106-R109 PolarHBondContact O-N 2.82Å; D106-R109 IonicContact OD1-NE 3.82Å; D106-R109 PolarHBondContact OD1-NE 3.18Å; D106-R109 IonicContact OD1-NH2 2.54Å; D106-Y288 HydrophobicContact CB-CE1 4.17Å; D106-Y288 HydrophobicContact CB-CE2 4Å; D106-Y288 WeakPolarHBondContact O-CD2 3.32Å
107L96.2Very high96Very high0 Ų036.7 Ų36.70%020%0.199CC..G310 helixtrans-67.7-15.3178.9-59.9-172.4000114S103 A104 L105 P110 L149 L284 I285 R287 Y288S103-L107 PolarHBondContact O-N 2.91Å; A104-L107 PolarHBondContact O-N 2.62Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 2.79Å; L107-P110 WeakPolarHBondContact O-CD 3.15Å; L107-L149 HydrophobicContact CD1-CD1 3.65Å; L107-L149 HydrophobicContact CD1-CD2 3.66Å; L107-L149 HydrophobicContact CD1-CG 4.21Å; L107-L149 HydrophobicContact CG-CD1 4.42Å; L107-L284 HydrophobicContact CD1-CB 4.15Å; L107-I285 HydrophobicContact CD1-CG1 4.37Å; L107-I285 HydrophobicContact CD2-CG1 4.38Å; L107-R287 PolarHBondContact O-NH2 3Å; L107-Y288 HydrophobicContact CD2-CD1 4.17Å; L107-Y288 HydrophobicContact CD2-CG 4.02Å
108L95.9Very high96.2Very high17 Ų1735 Ų359%0.08919%0.19CC..G310 helixtrans-79.1-24.9172.1-73.2163.1000112.8A104 L105 D106 G111 L113 L209A104-L108 PolarHBondContact O-N 3.38Å; L105-L108 HydrophobicContact CD1-CD1 4.3Å; L105-L108 WeakPolarHBondContact O-CB 3.15Å; L105-L108 PolarHBondContact O-N 3.41Å; D106-L108 PolarHBondContact O-N 2.76Å; L108-G111 CarbonylContact O-C 3.4Å; L108-G111 PolarHBondContact O-N 2.88Å; L108-L113 HydrophobicContact CD2-CD1 3.8Å; L108-L113 HydrophobicContact CD2-CG 3.65Å; L108-L113 HydrophobicContact CG-CD1 4.25Å; L108-L113 HydrophobicContact CG-CG 4.45Å; L108-L209 HydrophobicContact CD1-CD2 4.35Å; L108-L209 WeakPolarHBondContact CD2-O 3.42Å
109R94.3Very high96.3Very high126 Ų12631.9 Ų31.948%0.47518%0.178SC..THydrogen-bonded Turntrans-56.8-42-175.3-63.5177.5179.5-107.71.6114D106 G111 W291D106-R109 WeakPolarHBondContact O-CB 3.41Å; D106-R109 WeakPolarHBondContact O-CG 3.5Å; D106-R109 PolarHBondContact O-N 2.82Å; D106-R109 IonicContact OD1-NE 3.82Å; D106-R109 PolarHBondContact OD1-NE 3.18Å; D106-R109 IonicContact OD1-NH2 2.54Å; R109-G111 PolarHBondContact O-N 2.74Å; R109-W291 HydrophobicContact CB-CE3 4.42Å; R109-W291 HydrophobicContact CB-CH2 3.87Å; R109-W291 HydrophobicContact CB-CZ2 4.16Å; R109-W291 HydrophobicContact CB-CZ3 4Å; R109-W291 HydrophobicContact CG-CH2 4.5Å
110P94.5Very high96.4Very high35 Ų3531.2 Ų31.223%0.22718%0.175CC..THydrogen-bonded Turntrans-70.3-11.7177.9-18.833.1000114.2L107 R287 Y288 W291L107-P110 WeakPolarHBondContact O-CD 3.15Å; P110-R287 HydrophobicContact CB-CG 4.02Å; P110-Y288 HydrophobicContact CG-CD2 4.01Å; P110-W291 HydrophobicContact CB-CB 3.97Å; P110-W291 HydrophobicContact CB-CG 3.91Å; P110-W291 HydrophobicContact CG-CB 3.84Å; P110-W291 HydrophobicContact CG-CD2 4.17Å; P110-W291 HydrophobicContact CG-CE3 4.5Å; P110-W291 HydrophobicContact CG-CG 3.89Å
111G94.2Very high96.6Very high20 Ų2030.3 Ų30.321%0.20617%0.166CC..SBendtrans142.3174.8-179.800000113.8L108 R109 R287L108-G111 CarbonylContact O-C 3.4Å; L108-G111 PolarHBondContact O-N 2.88Å; R109-G111 PolarHBondContact O-N 2.74Å; G111-R287 PolarHBondContact O-NH2 3.44Å
112P94.8Very high96.8Very high108 Ų10830.3 Ų30.370%0.70117%0.165SC*.PPolyproline II helixtrans-60.2156.9-173.325.7-34.7000112.8R287P112-R287 PolarHBondContact O-NH1 3.36Å; P112-R287 VanDerWaalsContact O-NH1 3.1Å
113L97.3Very high97Very high11 Ų1131.8 Ų31.86%0.05817%0.165CC..PPolyproline II helixtrans-99.6138177.3-57.9-176.9000110.6L108 I118 I121 L209 L284 R287L108-L113 HydrophobicContact CD2-CD1 3.8Å; L108-L113 HydrophobicContact CD2-CG 3.65Å; L108-L113 HydrophobicContact CG-CD1 4.25Å; L108-L113 HydrophobicContact CG-CG 4.45Å; L113-I118 HydrophobicContact CB-CD1 4.12Å; L113-I118 HydrophobicContact CB-CG1 3.72Å; L113-I118 HydrophobicContact CD1-CG1 4.4Å; L113-I121 HydrophobicContact CD1-CD1 4.28Å; L113-L209 HydrophobicContact CD1-CD2 4.17Å; L113-L284 HydrophobicContact CD2-CD1 3.7Å; L113-L284 HydrophobicContact CD2-CD2 3.67Å; L113-L284 HydrophobicContact CD2-CG 4.34Å; L113-R287 VanDerWaalsContact CD2-NH2 3.32Å
114E97.4Very high97.1Very high118 Ų11831.9 Ų31.955%0.55116%0.164SC*.PPolyproline II helixtrans-70.6151.8168.2-59.2-177.7177.300111T116 Y117 I118E114-T116 PolarHBondContact O-N 2.91Å; E114-Y117 HydrophobicContact CB-CD2 3.91Å; E114-Y117 HydrophobicContact CB-CE2 4.42Å; E114-Y117 HydrophobicContact CG-CD2 4.38Å; E114-Y117 HydrophobicContact CG-CE2 4.48Å; E114-Y117 WeakPolarHBondContact O-CB 3.38Å; E114-Y117 PolarHBondContact O-N 3.03Å; E114-I118 PolarHBondContact O-N 3.46Å; E114-I118 VanDerWaalsContact O-N 3.13Å
115E98.3Very high97.2Very high33 Ų3332 Ų3215%0.15416%0.164CC..Hα-helixtrans-55.3-30.6-179.7-73-167.7-158.500113.9I118 A119 Y240 S241 F244 F270 H274E115-I118 PolarHBondContact O-N 3.32Å; E115-A119 WeakPolarHBondContact O-CB 3.42Å; E115-A119 PolarHBondContact O-N 3.31Å; E115-Y240 HydrophobicContact CG-CD1 4.42Å; E115-Y240 VanDerWaalsContact OE1-CA 3.27Å; E115-Y240 WeakPolarHBondContact OE1-CA 3.46Å; E115-S241 PolarHBondContact OE1-N 3.43Å; E115-S241 WeakPolarHBondContact OE2-CB 3.42Å; E115-S241 PolarHBondContact OE2-OG 2.96Å; E115-F244 HydrophobicContact CG-CD1 3.78Å; E115-F244 HydrophobicContact CG-CE1 4.26Å; E115-F270 HydrophobicContact CB-CE2 4.02Å; E115-F270 HydrophobicContact CB-CZ 4.32Å; E115-F270 HydrophobicContact CG-CE2 4.32Å; E115-F270 WeakPolarHBondContact OE2-CE2 3.45Å; E115-H274 IonicContact OE2-CD2 3.98Å; E115-H274 IonicContact OE2-NE2 3.01Å
116T98.4Very high97.3Very high29 Ų2929.3 Ų29.318%0.17815%0.151CC..Hα-helixtrans-61.4-43.6175.4-57.70000111.8E114 T120 H274 K276 Y280E114-T116 PolarHBondContact O-N 2.91Å; T116-T120 WeakPolarHBondContact O-CB 3.11Å; T116-T120 PolarHBondContact O-N 2.98Å; T116-T120 VanDerWaalsContact O-N 3.09Å; T116-T120 PolarHBondContact O-OG1 3.1Å; T116-H274 WeakPolarHBondContact CA-O 3.1Å; T116-H274 WeakPolarHBondContact CG2-O 3.22Å; T116-K276 HydrophobicContact CG2-CB 4.27Å; T116-K276 HydrophobicContact CG2-CD 3.52Å; T116-K276 HydrophobicContact CG2-CG 3.66Å; T116-Y280 HydrophobicContact CG2-CD1 4.05Å; T116-Y280 HydrophobicContact CG2-CE1 3.72Å
117Y98.5Very high97.5Very high18 Ų1830.3 Ų30.37%0.07115%0.153CC..Hα-helixtrans-67.2-47176.5-68.5-61.5000110.8E114 A119 T120 I121 Y280 L281 E283 L284E114-Y117 HydrophobicContact CB-CD2 3.91Å; E114-Y117 HydrophobicContact CB-CE2 4.42Å; E114-Y117 HydrophobicContact CG-CD2 4.38Å; E114-Y117 HydrophobicContact CG-CE2 4.48Å; E114-Y117 WeakPolarHBondContact O-CB 3.38Å; E114-Y117 PolarHBondContact O-N 3.03Å; Y117-A119 PolarHBondContact O-N 2.93Å; Y117-T120 PolarHBondContact O-N 3.38Å; Y117-T120 VanDerWaalsContact O-N 3.1Å; Y117-I121 WeakPolarHBondContact O-CG1 3.42Å; Y117-I121 PolarHBondContact O-N 3.23Å; Y117-Y280 AromaticContact CD1-CD1 3.84Å; Y117-Y280 HydrophobicContact CD1-CD1 3.84Å; Y117-Y280 AromaticContact CD1-CE1 3.88Å; Y117-Y280 HydrophobicContact CD1-CE1 3.88Å; Y117-Y280 AromaticContact CE1-CD1 3.43Å; Y117-Y280 HydrophobicContact CE1-CD1 3.43Å; Y117-Y280 VanDerWaalsContact CE1-CD1 3.43Å; Y117-Y280 AromaticContact CE1-CE1 3.31Å; Y117-Y280 HydrophobicContact CE1-CE1 3.31Å; Y117-Y280 HydrophobicContact CE1-CG 4.25Å; Y117-Y280 HydrophobicContact CE2-CE1 4.23Å; Y117-Y280 AromaticContact CZ-CE1 3.52Å; Y117-Y280 AromaticContact CZ-CZ 3.85Å; Y117-L281 HydrophobicContact CD1-CD2 3.71Å; Y117-E283 WeakPolarHBondContact OH-CB 3.26Å; Y117-E283 PolarHBondContact OH-OE2 3.25Å; Y117-L284 HydrophobicContact CD1-CD1 3.44Å; Y117-L284 VanDerWaalsContact CD1-CD1 3.44Å; Y117-L284 HydrophobicContact CD1-CD2 4.26Å; Y117-L284 HydrophobicContact CD1-CG 3.59Å; Y117-L284 HydrophobicContact CD2-CD1 4.14Å; Y117-L284 HydrophobicContact CD2-CD2 3.91Å; Y117-L284 HydrophobicContact CD2-CG 4.16Å; Y117-L284 HydrophobicContact CE1-CD1 4.03Å; Y117-L284 HydrophobicContact CE1-CD2 4.2Å; Y117-L284 HydrophobicContact CE1-CG 3.62Å; Y117-L284 HydrophobicContact CE2-CD2 3.85Å; Y117-L284 HydrophobicContact CE2-CG 4.19Å; Y117-L284 HydrophobicContact CG-CD1 3.5Å; Y117-L284 HydrophobicContact CG-CD2 4.13Å; Y117-L284 HydrophobicContact CG-CG 3.87Å
118I98.7Very high97.6Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-59.3-49.3179.4-58.9171.3000110.6L113 E114 E115 T120 I121 L122 L209 A210 F244 F270L113-I118 HydrophobicContact CB-CD1 4.12Å; L113-I118 HydrophobicContact CB-CG1 3.72Å; L113-I118 HydrophobicContact CD1-CG1 4.4Å; E114-I118 PolarHBondContact O-N 3.46Å; E114-I118 VanDerWaalsContact O-N 3.13Å; E115-I118 PolarHBondContact O-N 3.32Å; I118-T120 PolarHBondContact O-N 2.86Å; I118-I121 PolarHBondContact O-N 2.99Å; I118-L122 HydrophobicContact CG2-CD1 3.64Å; I118-L122 HydrophobicContact CG2-CG 4.19Å; I118-L122 WeakPolarHBondContact O-CB 3.37Å; I118-L122 VanDerWaalsContact O-CG 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.12Å; I118-L122 PolarHBondContact O-N 2.82Å; I118-L209 WeakPolarHBondContact CD1-O 3.41Å; I118-L209 HydrophobicContact CG1-CB 4.19Å; I118-L209 HydrophobicContact CG2-CB 4.01Å; I118-L209 HydrophobicContact CG2-CD1 4.27Å; I118-A210 HydrophobicContact CD1-CB 4.07Å; I118-F244 HydrophobicContact CD1-CE1 3.98Å; I118-F244 HydrophobicContact CD1-CZ 4.2Å; I118-F244 HydrophobicContact CG2-CE1 4.36Å; I118-F244 HydrophobicContact CG2-CE2 4.15Å; I118-F244 HydrophobicContact CG2-CZ 3.66Å; I118-F270 HydrophobicContact CG2-CE1 4.48Å; I118-F270 HydrophobicContact CG2-CZ 4.45Å
119A98.8Very high97.6Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-62-32.6177.400000112.3E115 Y117 R123 F270 H274 T275E115-A119 WeakPolarHBondContact O-CB 3.42Å; E115-A119 PolarHBondContact O-N 3.31Å; Y117-A119 PolarHBondContact O-N 2.93Å; A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 PolarHBondContact O-N 3.06Å; A119-F270 HydrophobicContact CB-CD1 4.35Å; A119-F270 HydrophobicContact CB-CE1 3.85Å; A119-F270 HydrophobicContact CB-CE2 4.22Å; A119-F270 HydrophobicContact CB-CZ 3.78Å; A119-H274 HydrophobicContact CB-CB 3.7Å; A119-T275 VanDerWaalsContact C-OG1 3.31Å; A119-T275 PolarHBondContact O-OG1 3.12Å
120T98.8Very high97.8Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-71-44.8176.8-550000111.8T116 Y117 I118 R123 E124 T275 K276 L281T116-T120 WeakPolarHBondContact O-CB 3.11Å; T116-T120 PolarHBondContact O-N 2.98Å; T116-T120 VanDerWaalsContact O-N 3.09Å; T116-T120 PolarHBondContact O-OG1 3.1Å; Y117-T120 PolarHBondContact O-N 3.38Å; Y117-T120 VanDerWaalsContact O-N 3.1Å; I118-T120 PolarHBondContact O-N 2.86Å; T120-R123 PolarHBondContact O-N 3.27Å; T120-E124 PolarHBondContact O-N 3.49Å; T120-T275 HydrophobicContact CG2-CG2 4.17Å; T120-K276 PolarHBondContact OG1-N 3.42Å; T120-K276 VanDerWaalsContact OG1-N 3.09Å; T120-L281 HydrophobicContact CG2-CD1 4.1Å; T120-L281 HydrophobicContact CG2-CD2 3.95Å; T120-L281 HydrophobicContact CG2-CG 4.01Å
121I98.8Very high97.9Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-62.8-49.3175-67.1167000110.5L113 Y117 I118 R123 E124 I125 V147 V155 L209 L281L113-I121 HydrophobicContact CD1-CD1 4.28Å; Y117-I121 WeakPolarHBondContact O-CG1 3.42Å; Y117-I121 PolarHBondContact O-N 3.23Å; I118-I121 PolarHBondContact O-N 2.99Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 2.82Å; I121-E124 PolarHBondContact O-N 3.45Å; I121-E124 VanDerWaalsContact O-N 3.11Å; I121-I125 HydrophobicContact CG2-CD1 3.77Å; I121-I125 HydrophobicContact CG2-CG1 4.38Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.29Å; I121-V147 HydrophobicContact CG2-CG1 4.01Å; I121-V155 HydrophobicContact CG2-CG1 4.44Å; I121-L209 HydrophobicContact CB-CD1 4.5Å; I121-L209 HydrophobicContact CG2-CD1 3.96Å; I121-L281 HydrophobicContact CG1-CD1 3.91Å; I121-L281 HydrophobicContact CG1-CD2 4.24Å
122L98.8Very high97.9Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-62-35.1179.8-70.3171.4000112.7I118 E124 I125 L126 L202 A206 L209 F244 F247 F270 I271I118-L122 HydrophobicContact CG2-CD1 3.64Å; I118-L122 HydrophobicContact CG2-CG 4.19Å; I118-L122 WeakPolarHBondContact O-CB 3.37Å; I118-L122 VanDerWaalsContact O-CG 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.12Å; I118-L122 PolarHBondContact O-N 2.82Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.9Å; L122-I125 HydrophobicContact CD2-CD1 4.26Å; L122-I125 PolarHBondContact O-N 3.44Å; L122-L126 VanDerWaalsContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.22Å; L122-L202 HydrophobicContact CD2-CD1 3.53Å; L122-L202 HydrophobicContact CD2-CG 4.37Å; L122-A206 HydrophobicContact CD1-CB 3.9Å; L122-A206 HydrophobicContact CD2-CB 4.09Å; L122-L209 HydrophobicContact CD2-CD1 4.17Å; L122-L209 HydrophobicContact CG-CD1 4.28Å; L122-F244 HydrophobicContact CD1-CE2 4.35Å; L122-F247 HydrophobicContact CD1-CD1 4.44Å; L122-F247 HydrophobicContact CD1-CE1 3.9Å; L122-F247 HydrophobicContact CD1-CZ 4.4Å; L122-F270 HydrophobicContact CD1-CE1 3.9Å; L122-I271 HydrophobicContact CB-CD1 4Å
123R98.8Very high97.9Very high52 Ų5222.1 Ų22.120%0.19610%0.1CC..Hα-helixtrans-60.2-44.9174.1-172.6-168.862.1-152.6-19.3111.1A119 T120 I121 L126 K127 L266 I271 T275 K276A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 PolarHBondContact O-N 3.06Å; T120-R123 PolarHBondContact O-N 3.27Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 2.82Å; R123-L126 PolarHBondContact O-N 3.01Å; R123-K127 WeakPolarHBondContact O-CG 3.38Å; R123-K127 PolarHBondContact O-N 2.68Å; R123-K127 VanDerWaalsContact O-N 3.1Å; R123-L266 HydrophobicContact CG-CD2 3.93Å; R123-I271 HydrophobicContact CB-CG2 3.91Å; R123-I271 HydrophobicContact CG-CG2 3.81Å; R123-T275 HydrophobicContact CB-CG2 4.11Å; R123-T275 HydrophobicContact CG-CG2 4.48Å; R123-K276 PolarHBondContact NH1-O 3Å; R123-K276 PolarHBondContact NH2-O 2.96Å; R123-K276 VanDerWaalsContact NH2-O 3.09Å
124E98.7Very high97.7Very high11 Ų1125.5 Ų25.55%0.05113%0.125CC..Hα-helixtrans-71.6-38.5-179.5-58.6-44103.900112F77 T120 I121 L122 L126 K127 G128 V155 T278F77-E124 VanDerWaalsContact CE1-OE2 3.25Å; F77-E124 WeakPolarHBondContact CE1-OE2 3.14Å; T120-E124 PolarHBondContact O-N 3.49Å; I121-E124 PolarHBondContact O-N 3.45Å; I121-E124 VanDerWaalsContact O-N 3.11Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.9Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-K127 VanDerWaalsContact CD-NZ 3.26Å; E124-K127 PolarHBondContact O-N 2.9Å; E124-K127 WeakPolarHBondContact OE1-CE 3.42Å; E124-K127 IonicContact OE1-NZ 2.82Å; E124-K127 PolarHBondContact OE1-NZ 2.84Å; E124-K127 IonicContact OE2-NZ 2.73Å; E124-K127 PolarHBondContact OE2-NZ 2.92Å; E124-G128 PolarHBondContact O-N 2.93Å; E124-V155 HydrophobicContact CB-CB 3.54Å; E124-V155 HydrophobicContact CB-CG1 3.97Å; E124-V155 HydrophobicContact CB-CG2 4.2Å; E124-V155 HydrophobicContact CG-CB 3.88Å; E124-V155 HydrophobicContact CG-CG2 4.07Å; E124-T278 HydrophobicContact CG-CG2 3.81Å
125I98.6Very high97.4Very high2 Ų224.4 Ų24.41%0.0112%0.12CC..Hα-helixtrans-56.2-46.7170.6-66.1166.5000110.3I121 L122 K127 G128 L129 V147 L157 L202I121-I125 HydrophobicContact CG2-CD1 3.77Å; I121-I125 HydrophobicContact CG2-CG1 4.38Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.29Å; L122-I125 HydrophobicContact CD2-CD1 4.26Å; L122-I125 PolarHBondContact O-N 3.44Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.09Å; I125-G128 CarbonylContact O-C 3.47Å; I125-G128 WeakPolarHBondContact O-CA 3.29Å; I125-G128 PolarHBondContact O-N 3.22Å; I125-G128 VanDerWaalsContact O-N 3.11Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 HydrophobicContact CG2-CG 4.22Å; I125-L129 WeakPolarHBondContact O-CG 3.21Å; I125-L129 PolarHBondContact O-N 2.92Å; I125-V147 HydrophobicContact CD1-CB 4.43Å; I125-V147 HydrophobicContact CD1-CG1 3.99Å; I125-V147 HydrophobicContact CD1-CG2 3.62Å; I125-V147 HydrophobicContact CG1-CG1 3.95Å; I125-V147 HydrophobicContact CG1-CG2 3.87Å; I125-L157 HydrophobicContact CG1-CD2 4.38Å; I125-L157 HydrophobicContact CG2-CD2 4.14Å; I125-L202 HydrophobicContact CB-CD1 4.23Å; I125-L202 HydrophobicContact CD1-CD1 4.5Å; I125-L202 HydrophobicContact CG2-CD1 3.51Å
126L98.8Very high97Very high0 Ų032.7 Ų32.70%015%0.15CC..Hα-helixtrans-61.2-36.8178.6-79.4168.2000113L122 R123 E124 L129 E130 L202 F247 A262 L265 L266 I271L122-L126 VanDerWaalsContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.22Å; R123-L126 PolarHBondContact O-N 3.01Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 2.86Å; L126-L202 HydrophobicContact CD2-CD2 3.41Å; L126-L202 VanDerWaalsContact CD2-CD2 3.41Å; L126-L202 HydrophobicContact CG-CD2 3.95Å; L126-F247 HydrophobicContact CD1-CE2 4.08Å; L126-F247 HydrophobicContact CD1-CZ 4.09Å; L126-A262 HydrophobicContact CD2-CB 3.97Å; L126-L265 HydrophobicContact CD1-CB 3.85Å; L126-L265 HydrophobicContact CD2-CB 3.54Å; L126-L265 HydrophobicContact CD2-CD1 3.85Å; L126-L265 HydrophobicContact CD2-CG 4.36Å; L126-L265 HydrophobicContact CG-CB 4.37Å; L126-L266 HydrophobicContact CB-CD2 3.57Å; L126-L266 HydrophobicContact CB-CG 3.88Å; L126-L266 HydrophobicContact CD1-CD2 4.22Å; L126-L266 HydrophobicContact CD1-CG 4.48Å; L126-I271 HydrophobicContact CD1-CD1 4.1Å; L126-I271 HydrophobicContact CD1-CG1 4Å
127K98.7Very high96.4Very high56 Ų5632.5 Ų32.524%0.24315%0.146CC..Hα-helixtrans-66.7-39.4173.5-66.2174.7-170.71640111.7F77 R123 E124 I125 Y131 L266F77-K127 HydrophobicContact CD1-CB 4.01Å; F77-K127 HydrophobicContact CD1-CD 4.19Å; F77-K127 HydrophobicContact CD2-CB 3.63Å; F77-K127 HydrophobicContact CE1-CB 4.08Å; F77-K127 HydrophobicContact CE1-CD 3.49Å; F77-K127 VanDerWaalsContact CE1-CD 3.49Å; F77-K127 HydrophobicContact CE1-CG 4.49Å; F77-K127 HydrophobicContact CE2-CB 3.68Å; F77-K127 HydrophobicContact CE2-CD 3.88Å; F77-K127 HydrophobicContact CE2-CG 4.36Å; F77-K127 HydrophobicContact CG-CB 3.82Å; F77-K127 HydrophobicContact CZ-CB 3.94Å; F77-K127 HydrophobicContact CZ-CD 3.32Å; F77-K127 HydrophobicContact CZ-CG 4.26Å; R123-K127 WeakPolarHBondContact O-CG 3.38Å; R123-K127 PolarHBondContact O-N 2.68Å; R123-K127 VanDerWaalsContact O-N 3.1Å; E124-K127 VanDerWaalsContact CD-NZ 3.26Å; E124-K127 PolarHBondContact O-N 2.9Å; E124-K127 WeakPolarHBondContact OE1-CE 3.42Å; E124-K127 IonicContact OE1-NZ 2.82Å; E124-K127 PolarHBondContact OE1-NZ 2.84Å; E124-K127 IonicContact OE2-NZ 2.73Å; E124-K127 PolarHBondContact OE2-NZ 2.92Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.09Å; K127-Y131 PolarHBondContact O-N 2.68Å; K127-Y131 VanDerWaalsContact O-N 3.08Å; K127-L266 HydrophobicContact CG-CD1 4.41Å; K127-L266 HydrophobicContact CG-CD2 4.08Å
128G97.8Very high95.9Very high0 Ų031.8 Ų31.80%014%0.144CC..Hα-helixtrans-61.6-46.7172.500000112.4E124 I125 Y131 L132E124-G128 PolarHBondContact O-N 2.93Å; I125-G128 CarbonylContact O-C 3.47Å; I125-G128 WeakPolarHBondContact O-CA 3.29Å; I125-G128 PolarHBondContact O-N 3.22Å; I125-G128 VanDerWaalsContact O-N 3.11Å; G128-Y131 WeakPolarHBondContact O-CB 3.23Å; G128-Y131 PolarHBondContact O-N 3.1Å; G128-L132 WeakPolarHBondContact O-CG 3.48Å; G128-L132 PolarHBondContact O-N 3.44Å
129L97.4Very high95.4Very high0 Ų031.8 Ų31.80%014%0.144CC..Hα-helixtrans-65.3-41.6176.5-69.3180000112.3I125 L126 Y131 L132 H133 H139 I142 L157 D198 L202 A262I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 HydrophobicContact CG2-CG 4.22Å; I125-L129 WeakPolarHBondContact O-CG 3.21Å; I125-L129 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.3Å; L129-Y131 VanDerWaalsContact C-N 3.3Å; L129-Y131 PolarHBondContact O-N 3.04Å; L129-L132 PolarHBondContact O-N 3.11Å; L129-H133 VanDerWaalsContact O-CB 3.24Å; L129-H133 WeakPolarHBondContact O-CB 3.49Å; L129-H133 PolarHBondContact O-CD2 3.01Å; L129-H133 VanDerWaalsContact O-CD2 3.28Å; L129-H133 PolarHBondContact O-N 3.15Å; L129-H139 HydrophobicContact CD2-CB 4.4Å; L129-I142 HydrophobicContact CD2-CD1 3.8Å; L129-I142 HydrophobicContact CD2-CG1 4.08Å; L129-L157 HydrophobicContact CD2-CD1 4.11Å; L129-L157 HydrophobicContact CG-CD1 4.33Å; L129-D198 HydrophobicContact CD1-CB 4.4Å; L129-D198 HydrophobicContact CD2-CB 3.86Å; L129-L202 HydrophobicContact CD1-CB 4.36Å; L129-L202 HydrophobicContact CD1-CD2 4.22Å; L129-A262 HydrophobicContact CB-CB 3.88Å
130E98.1Very high94.8Very high65 Ų6534 Ų3430%0.30415%0.152SC..Hα-helixtrans-56.9-46174.7-178.8-179-14400111.1L126 S134 A262 K263 L266L126-E130 WeakPolarHBondContact O-CB 3.48Å; L126-E130 PolarHBondContact O-N 2.86Å; E130-S134 WeakPolarHBondContact O-CB 3.43Å; E130-S134 PolarHBondContact O-N 3.39Å; E130-S134 PolarHBondContact O-OG 3.25Å; E130-A262 HydrophobicContact CB-CB 4.15Å; E130-K263 HydrophobicContact CG-CB 4.33Å; E130-K263 WeakPolarHBondContact OE1-CB 3.34Å; E130-K263 VanDerWaalsContact OE1-CD 3.3Å; E130-K263 WeakPolarHBondContact OE1-CD 2.99Å; E130-K263 WeakPolarHBondContact OE1-CG 3.45Å; E130-L266 WeakPolarHBondContact OE2-CD1 3.49Å
131Y97Very high94.3Very high44 Ų4434.7 Ų34.717%0.17316%0.156CC..Hα-helixtrans-58.8-55.4174.9168.8-102.5000111.6C73 D74 S75 V78 K127 G128 L129 H133 S134 E135C73-Y131 WeakPolarHBondContact CA-OH 3.13Å; C73-Y131 HydrophobicContact CB-CE1 4.32Å; D74-Y131 PolarHBondContact N-OH 3.35Å; D74-Y131 PolarHBondContact O-OH 3.2Å; S75-Y131 VanDerWaalsContact CB-CD1 3.46Å; V78-Y131 HydrophobicContact CG2-CD1 4.06Å; V78-Y131 HydrophobicContact CG2-CE1 4.31Å; K127-Y131 PolarHBondContact O-N 2.68Å; K127-Y131 VanDerWaalsContact O-N 3.08Å; G128-Y131 WeakPolarHBondContact O-CB 3.23Å; G128-Y131 PolarHBondContact O-N 3.1Å; L129-Y131 VanDerWaalsContact C-N 3.3Å; L129-Y131 PolarHBondContact O-N 3.04Å; Y131-H133 VanDerWaalsContact C-N 3.34Å; Y131-H133 PolarHBondContact O-N 3.33Å; Y131-S134 PolarHBondContact O-N 3.22Å; Y131-S134 PolarHBondContact O-OG 2.99Å; Y131-E135 HydrophobicContact CD2-CG 4.38Å; Y131-E135 HydrophobicContact CE2-CG 3.91Å; Y131-E135 PolarHBondContact O-N 2.89Å; Y131-E135 VanDerWaalsContact O-N 3.09Å
132L93.6Very high94.1Very high0 Ų034.8 Ų34.80%016%0.156CC..Hα-helixtrans-59.3-44.8-177.5-69174.6000112.2V78 G128 L129 S134 E135 R136 K137 H139 L157 F160V78-L132 HydrophobicContact CG2-CD2 4.19Å; V78-L132 HydrophobicContact CG2-CG 4.37Å; G128-L132 WeakPolarHBondContact O-CG 3.48Å; G128-L132 PolarHBondContact O-N 3.44Å; L129-L132 PolarHBondContact O-N 3.11Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.38Å; L132-E135 CarbonylContact O-C 3.58Å; L132-E135 WeakPolarHBondContact O-CA 3.18Å; L132-E135 PolarHBondContact O-N 3.46Å; L132-E135 VanDerWaalsContact O-N 3.11Å; L132-R136 PolarHBondContact O-N 3.36Å; L132-K137 CarbonylContact C-O 3.44Å; L132-K137 HydrophobicContact CB-CB 4.31Å; L132-K137 HydrophobicContact CD2-CB 4.17Å; L132-K137 HydrophobicContact CD2-CD 4.22Å; L132-K137 PolarHBondContact O-N 3.49Å; L132-K137 VanDerWaalsContact O-O 3.13Å; L132-H139 HydrophobicContact CD1-CB 4.19Å; L132-L157 HydrophobicContact CD1-CD1 3.88Å; L132-F160 HydrophobicContact CD1-CE1 3.6Å; L132-F160 HydrophobicContact CD1-CZ 4.08Å; L132-F160 HydrophobicContact CD2-CE1 3.52Å; L132-F160 HydrophobicContact CD2-CZ 3.83Å; L132-F160 HydrophobicContact CG-CE1 4.2Å
133H94.1Very high93.8Very high25 Ų2535.9 Ų35.912%0.11616%0.161CC..Hα-helixtrans-67.2-34.5-178.9-61.4178.8000111.2L129 Y131 E135 R136 F195 D198L129-H133 VanDerWaalsContact O-CB 3.24Å; L129-H133 WeakPolarHBondContact O-CB 3.49Å; L129-H133 PolarHBondContact O-CD2 3.01Å; L129-H133 VanDerWaalsContact O-CD2 3.28Å; L129-H133 PolarHBondContact O-N 3.15Å; Y131-H133 VanDerWaalsContact C-N 3.34Å; Y131-H133 PolarHBondContact O-N 3.33Å; H133-E135 VanDerWaalsContact C-N 3.27Å; H133-E135 PolarHBondContact O-N 2.98Å; H133-R136 PolarHBondContact O-N 2.78Å; H133-F195 HydrophobicContact CB-CB 4.19Å; H133-F195 HydrophobicContact CB-CD2 4.24Å; H133-F195 HydrophobicContact CB-CG 4.21Å; H133-F195 PolarHBondContact CE1-O 3.23Å; H133-F195 VanDerWaalsContact CE1-O 3.23Å; H133-F195 AromaticContact CG-CD2 3.91Å; H133-F195 AromaticContact CG-CG 3.98Å; H133-F195 AromaticContact ND1-CD2 3.49Å; H133-F195 WeakPolarHBondContact ND1-CD2 3.45Å; H133-F195 AromaticContact ND1-CG 3.99Å; H133-D198 IonicContact CD2-OD2 2.81Å; H133-D198 IonicContact CE1-OD2 3.34Å; H133-D198 IonicContact NE2-OD2 2.8Å; H133-D198 PolarHBondContact NE2-OD2 3.48Å
134S94.3Very high93.7Very high83 Ų8333.4 Ų33.458%0.5815%0.152SC*.Hα-helixtrans-65.4-32.2173.2780000112.9E130 Y131 L132 R136E130-S134 WeakPolarHBondContact O-CB 3.43Å; E130-S134 PolarHBondContact O-N 3.39Å; E130-S134 PolarHBondContact O-OG 3.25Å; Y131-S134 PolarHBondContact O-N 3.22Å; Y131-S134 PolarHBondContact O-OG 2.99Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.38Å; S134-R136 VanDerWaalsContact C-N 3.25Å; S134-R136 PolarHBondContact O-N 3Å
135E91.1Very high93.4Very high95 Ų9534.5 Ų34.544%0.44416%0.162SC..THydrogen-bonded Turntrans-85.68.5176.4-70.7-63.6121.800113.3Y131 L132 H133 K137Y131-E135 HydrophobicContact CD2-CG 4.38Å; Y131-E135 HydrophobicContact CE2-CG 3.91Å; Y131-E135 PolarHBondContact O-N 2.89Å; Y131-E135 VanDerWaalsContact O-N 3.09Å; L132-E135 CarbonylContact O-C 3.58Å; L132-E135 WeakPolarHBondContact O-CA 3.18Å; L132-E135 PolarHBondContact O-N 3.46Å; L132-E135 VanDerWaalsContact O-N 3.11Å; H133-E135 VanDerWaalsContact C-N 3.27Å; H133-E135 PolarHBondContact O-N 2.98Å; E135-K137 HydrophobicContact CB-CD 4.14Å; E135-K137 HydrophobicContact CB-CG 4.22Å; E135-K137 PolarHBondContact O-N 2.83Å; E135-K137 IonicContact OE2-NZ 3.72Å
136R88.5Confident93.2Very high207 Ų20735 Ų3578%0.78117%0.165SC*.THydrogen-bonded Turntrans56.929.5-175.9-55.8178.8176.6-113.7-0113.6L132 H133 S134L132-R136 PolarHBondContact O-N 3.36Å; H133-R136 PolarHBondContact O-N 2.78Å; S134-R136 VanDerWaalsContact C-N 3.25Å; S134-R136 PolarHBondContact O-N 3Å
137K86.7Confident93.1Very high24 Ų2435 Ų3510%0.10417%0.165CC..  trans-101.6143.7174.5-62.9174.5175.794.90109.3V69 L132 E135V69-K137 HydrophobicContact CG1-CD 3.95Å; V69-K137 HydrophobicContact CG1-CG 4.38Å; L132-K137 CarbonylContact C-O 3.44Å; L132-K137 HydrophobicContact CB-CB 4.31Å; L132-K137 HydrophobicContact CD2-CB 4.17Å; L132-K137 HydrophobicContact CD2-CD 4.22Å; L132-K137 PolarHBondContact O-N 3.49Å; L132-K137 VanDerWaalsContact O-O 3.13Å; E135-K137 HydrophobicContact CB-CD 4.14Å; E135-K137 HydrophobicContact CB-CG 4.22Å; E135-K137 PolarHBondContact O-N 2.83Å; E135-K137 IonicContact OE2-NZ 3.72Å
138I86.8Confident93.1Very high4 Ų434.4 Ų34.42%0.02117%0.165CC..  trans-118.8132175.5-51.5175000107R140 L166 Y193 F195 D198I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.65Å; I138-L166 HydrophobicContact CD1-CD1 3.93Å; I138-L166 HydrophobicContact CD1-CD2 4.28Å; I138-L166 HydrophobicContact CD1-CG 4.05Å; I138-L166 HydrophobicContact CG1-CD1 4.31Å; I138-Y193 HydrophobicContact CD1-CD2 4.43Å; I138-Y193 HydrophobicContact CD1-CE2 4.3Å; I138-F195 HydrophobicContact CG1-CB 4.37Å; I138-D198 WeakPolarHBondContact CG2-OD2 3.38Å
139H89.4Confident93.1Very high0 Ų034.4 Ų34.40%017%0.165CC..  trans-75.2-41.5-177.8-170.1-74.7000112.7L129 L132 D141 I142 A158 D159 F160 D198L129-H139 HydrophobicContact CD2-CB 4.4Å; L132-H139 HydrophobicContact CD1-CB 4.19Å; H139-D141 PolarHBondContact CE1-O 3.47Å; H139-D141 PolarHBondContact ND1-N 2.86Å; H139-D141 PolarHBondContact ND1-O 2.88Å; H139-D141 PolarHBondContact O-N 2.75Å; H139-I142 HydrophobicContact CB-CD1 3.74Å; H139-I142 HydrophobicContact CB-CG1 3.93Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.32Å; H139-A158 PolarHBondContact CE1-O 3.17Å; H139-A158 PolarHBondContact NE2-O 3.23Å; H139-A158 VanDerWaalsContact NE2-O 3.1Å; H139-D159 PolarHBondContact CE1-O 3.34Å; H139-D159 VanDerWaalsContact CE1-O 3.27Å; H139-F160 AromaticContact CD2-CD1 3.99Å; H139-F160 AromaticContact CD2-CE1 3.93Å; H139-D198 PolarHBondContact N-OD1 3.29Å; H139-D198 PolarHBondContact N-OD2 2.67Å
140R86.5Confident93.1Very high46 Ų4634.9 Ų34.917%0.17417%0.168CC..  trans68.5-19175.6-54.2173.5173.9-156.1-13117I138 V162 G164 Q170 Y193 D198I138-R140 HydrophobicContact CB-CG 4.1Å; I138-R140 HydrophobicContact CG2-CG 3.65Å; R140-V162 WeakPolarHBondContact CD-O 3.39Å; R140-V162 PolarHBondContact NH1-O 3.06Å; R140-G164 PolarHBondContact NH2-O 2.85Å; R140-Q170 VanDerWaalsContact NH2-NE2 3.15Å; R140-Y193 PolarHBondContact NE-OH 2.87Å; R140-Y193 PolarHBondContact NH1-OH 3.49Å; R140-Y193 PolarHBondContact NH2-OH 3.05Å; R140-D198 PolarHBondContact N-OD1 3.08Å
141D86.8Confident92.9Very high15 Ų1536.3 Ų36.38%0.0818%0.175CC..  trans-128.953.2177.8-162.331.5000112.8H139 K143 N146H139-D141 PolarHBondContact CE1-O 3.47Å; H139-D141 PolarHBondContact ND1-N 2.86Å; H139-D141 PolarHBondContact ND1-O 2.88Å; H139-D141 PolarHBondContact O-N 2.75Å; D141-K143 VanDerWaalsContact CG-NZ 3.25Å; D141-K143 PolarHBondContact O-N 2.93Å; D141-K143 IonicContact OD1-NZ 3.95Å; D141-K143 PolarHBondContact OD1-NZ 2.93Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; D141-K143 IonicContact OD2-NZ 2.8Å; D141-K143 PolarHBondContact OD2-NZ 3.46Å; D141-N146 VanDerWaalsContact CG-ND2 3.3Å; D141-N146 PolarHBondContact O-ND2 3.26Å; D141-N146 PolarHBondContact OD2-ND2 3.23Å
142I94.5Very high92.9Very high1 Ų139.7 Ų39.71%0.00519%0.192CC..  trans-77.3117.1175.9-62.8-67.4000109.8L129 H139 L157 W182 D198 T205L129-I142 HydrophobicContact CD2-CD1 3.8Å; L129-I142 HydrophobicContact CD2-CG1 4.08Å; H139-I142 HydrophobicContact CB-CD1 3.74Å; H139-I142 HydrophobicContact CB-CG1 3.93Å; H139-I142 WeakPolarHBondContact ND1-CD1 3.32Å; I142-L157 HydrophobicContact CD1-CD1 4.15Å; I142-L157 HydrophobicContact CD1-CD2 3.69Å; I142-W182 VanDerWaalsContact O-CD1 3.27Å; I142-D198 HydrophobicContact CG1-CB 4.34Å; I142-T205 PolarHBondContact O-OG1 3.5Å
143K94.5Very high93.1Very high24 Ų2439.7 Ų39.710%0.10419%0.192CC..SBendtrans-160.3161.3177.461.9-166.9-176.9-1480110.1D141 A145 N146 V147 T179 W182 T205D141-K143 VanDerWaalsContact CG-NZ 3.25Å; D141-K143 PolarHBondContact O-N 2.93Å; D141-K143 IonicContact OD1-NZ 3.95Å; D141-K143 PolarHBondContact OD1-NZ 2.93Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; D141-K143 IonicContact OD2-NZ 2.8Å; D141-K143 PolarHBondContact OD2-NZ 3.46Å; K143-A145 HydrophobicContact CG-CB 4.21Å; K143-A145 PolarHBondContact O-N 2.88Å; K143-A145 VanDerWaalsContact O-N 3.15Å; K143-N146 WeakPolarHBondContact CE-ND2 3.38Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 3.05Å; K143-V147 WeakPolarHBondContact O-CG2 3.44Å; K143-T179 PolarHBondContact NZ-OG1 3.12Å; K143-W182 HydrophobicContact CB-CD2 3.95Å; K143-W182 HydrophobicContact CB-CG 4.1Å; K143-W182 HydrophobicContact CB-CZ2 4.15Å; K143-T205 WeakPolarHBondContact CA-OG1 3.39Å
144A96.1Very high93.3Very high0 Ų041.8 Ų41.80%020%0.204CC..G310 helixtrans-61.4-27.6-175.400000113.5A104 L105 N146 V147 T205 E208 L209A104-A144 HydrophobicContact CB-CB 4.18Å; A104-A144 PolarHBondContact N-O 3.48Å; L105-A144 HydrophobicContact CB-CB 4.05Å; L105-A144 PolarHBondContact N-O 2.81Å; A144-N146 VanDerWaalsContact C-N 3.29Å; A144-N146 PolarHBondContact O-N 3.33Å; A144-V147 PolarHBondContact O-N 2.9Å; A144-T205 HydrophobicContact CB-CG2 4.43Å; A144-E208 HydrophobicContact CB-CG 4.13Å; A144-E208 VanDerWaalsContact CB-OE1 3.27Å; A144-E208 WeakPolarHBondContact CB-OE1 3.26Å; A144-E208 WeakPolarHBondContact CB-OE2 3.15Å; A144-E208 PolarHBondContact N-OE1 2.71Å; A144-E208 PolarHBondContact N-OE2 3.37Å; A144-L209 HydrophobicContact CB-CD2 4.05Å
145A92.7Very high93.5Very high33 Ų3338 Ų3827%0.27318%0.177SC..G310 helixtrans-64.1-31174.800000113.4S103 L105 K143 V147S103-A145 WeakPolarHBondContact CB-O 3.38Å; L105-A145 HydrophobicContact CB-CB 4.37Å; L105-A145 HydrophobicContact CD2-CB 3.92Å; K143-A145 HydrophobicContact CG-CB 4.21Å; K143-A145 PolarHBondContact O-N 2.88Å; K143-A145 VanDerWaalsContact O-N 3.15Å; A145-V147 VanDerWaalsContact C-N 3.35Å
146N93.9Very high93.8Very high12 Ų1234.2 Ų34.26%0.06416%0.159CC..G310 helixtrans-95.79.7-178.1-68.7-0.4000112.6D141 K143 A144 A158D141-N146 VanDerWaalsContact CG-ND2 3.3Å; D141-N146 PolarHBondContact O-ND2 3.26Å; D141-N146 PolarHBondContact OD2-ND2 3.23Å; K143-N146 WeakPolarHBondContact CE-ND2 3.38Å; K143-N146 HydrophobicContact CG-CB 4.2Å; K143-N146 PolarHBondContact O-N 3.05Å; A144-N146 VanDerWaalsContact C-N 3.29Å; A144-N146 PolarHBondContact O-N 3.33Å; N146-A158 PolarHBondContact O-N 3.07Å
147V97.4Very high94.1Very high1 Ų124.5 Ų24.51%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-108.2105.5175.2177.50000107.1S103 A104 I121 I125 K143 A144 A145 V155 L157S103-V147 CarbonylContact C-O 3.37Å; S103-V147 VanDerWaalsContact CA-O 3.3Å; S103-V147 WeakPolarHBondContact CA-O 3.31Å; A104-V147 HydrophobicContact CB-CB 4.03Å; A104-V147 HydrophobicContact CB-CG1 4.06Å; A104-V147 PolarHBondContact N-O 2.9Å; I121-V147 HydrophobicContact CG2-CG1 4.01Å; I125-V147 HydrophobicContact CD1-CB 4.43Å; I125-V147 HydrophobicContact CD1-CG1 3.99Å; I125-V147 HydrophobicContact CD1-CG2 3.62Å; I125-V147 HydrophobicContact CG1-CG1 3.95Å; I125-V147 HydrophobicContact CG1-CG2 3.87Å; K143-V147 WeakPolarHBondContact O-CG2 3.44Å; A144-V147 PolarHBondContact O-N 2.9Å; A145-V147 VanDerWaalsContact C-N 3.35Å; V147-V155 HydrophobicContact CG1-CG1 3.42Å; V147-V155 VanDerWaalsContact CG1-CG1 3.42Å; V147-L157 HydrophobicContact CG2-CD2 4.22Å
148L97Very high94.3Very high44 Ų4423.5 Ų23.523%0.2312%0.119CC..EExtended strand (participates in β ladder)trans-103149.1-173.4-60.8-172.6000111.5T79 L99 V155 K156 A158T79-L148 HydrophobicContact CG2-CD1 4.35Å; L99-L148 HydrophobicContact CB-CB 3.99Å; L99-L148 HydrophobicContact CD1-CB 3.37Å; L99-L148 HydrophobicContact CD1-CD1 4.07Å; L99-L148 HydrophobicContact CD1-CG 4.35Å; L99-L148 HydrophobicContact CG-CB 4.32Å; L148-V155 WeakPolarHBondContact O-CA 3.39Å; L148-K156 PolarHBondContact N-O 2.84Å; L148-K156 PolarHBondContact O-N 2.8Å; L148-A158 HydrophobicContact CD1-CB 3.43Å; L148-A158 VanDerWaalsContact CD1-CB 3.43Å; L148-A158 HydrophobicContact CG-CB 3.65Å
149L98.1Very high93.9Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-116.6137.7179.6-64.692.4000112.3L99 G101 G102 A104 L107 D154 V155 L281 I285L99-L149 CarbonylContact C-O 3.6Å; L99-L149 VanDerWaalsContact C-O 3.23Å; L99-L149 WeakPolarHBondContact CB-O 3.31Å; G101-L149 WeakPolarHBondContact CA-O 3.47Å; G101-L149 PolarHBondContact N-O 3.42Å; G102-L149 PolarHBondContact O-N 2.82Å; A104-L149 HydrophobicContact CB-CD1 4.24Å; L107-L149 HydrophobicContact CD1-CD1 3.65Å; L107-L149 HydrophobicContact CD1-CD2 3.66Å; L107-L149 HydrophobicContact CD1-CG 4.21Å; L107-L149 HydrophobicContact CG-CD1 4.42Å; L149-D154 CarbonylContact C-O 3.44Å; L149-D154 WeakPolarHBondContact CA-O 3.18Å; L149-V155 HydrophobicContact CD2-CG2 3.99Å; L149-V155 HydrophobicContact CG-CG2 4.13Å; L149-L281 HydrophobicContact CD2-CB 4.18Å; L149-L281 HydrophobicContact CD2-CD1 3.8Å; L149-I285 HydrophobicContact CB-CD1 4.33Å
150S97.3Very high93Very high9 Ų925.5 Ų25.56%0.06313%0.13CC..  trans-72.6165.3166.180.10000110.2Q152 G153 D154 I285S150-Q152 PolarHBondContact O-N 3.37Å; S150-Q152 PolarHBondContact OG-N 3.47Å; S150-G153 PolarHBondContact O-N 3.27Å; S150-G153 VanDerWaalsContact O-N 3.08Å; S150-G153 PolarHBondContact OG-N 2.89Å; S150-D154 PolarHBondContact N-O 3.36Å; S150-D154 VanDerWaalsContact OG-CB 3.27Å; S150-D154 WeakPolarHBondContact OG-CB 3.18Å; S150-D154 PolarHBondContact OG-N 3.1Å; S150-D154 PolarHBondContact OG-OD2 3.37Å; S150-I285 WeakPolarHBondContact O-CD1 3.17Å
151E95.7Very high91.6Very high96 Ų9623.9 Ų23.945%0.44913%0.128SC..THydrogen-bonded Turntrans-65.7-19.5175.3-58-170.9154.900112.9G153 R289E151-G153 VanDerWaalsContact C-N 3.34Å; E151-R289 IonicContact OE1-NH2 2.68Å
152Q96.7Very high89.9Confident114 Ų11423.8 Ų23.853%0.53313%0.128SC..THydrogen-bonded Turntrans-89.6-1.7178.1-62.770.832.500112.3S150S150-Q152 PolarHBondContact O-N 3.37Å; S150-Q152 PolarHBondContact OG-N 3.47Å
153G96.7Very high87.5Confident0 Ų023.9 Ų23.90%013%0.128CC..  trans88.210.6179.300000114.5S150 E151 T278S150-G153 PolarHBondContact O-N 3.27Å; S150-G153 VanDerWaalsContact O-N 3.08Å; S150-G153 PolarHBondContact OG-N 2.89Å; E151-G153 VanDerWaalsContact C-N 3.34Å; G153-T278 VanDerWaalsContact O-CB 3.31Å; G153-T278 WeakPolarHBondContact O-CB 3.34Å
154D97.9Very high85Confident70 Ų7023.3 Ų23.337%0.37413%0.13SC..  trans-68.1139.8170.7-53.1-56.9000109.5L149 S150L149-D154 CarbonylContact C-O 3.44Å; L149-D154 WeakPolarHBondContact CA-O 3.18Å; S150-D154 PolarHBondContact N-O 3.36Å; S150-D154 VanDerWaalsContact OG-CB 3.27Å; S150-D154 WeakPolarHBondContact OG-CB 3.18Å; S150-D154 PolarHBondContact OG-N 3.1Å; S150-D154 PolarHBondContact OG-OD2 3.37Å
155V98.4Very high82.3Confident3 Ų328.2 Ų28.22%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-113.8131.5-176.6179.30000109I121 E124 V147 L148 L149 L281I121-V155 HydrophobicContact CG2-CG1 4.44Å; E124-V155 HydrophobicContact CB-CB 3.54Å; E124-V155 HydrophobicContact CB-CG1 3.97Å; E124-V155 HydrophobicContact CB-CG2 4.2Å; E124-V155 HydrophobicContact CG-CB 3.88Å; E124-V155 HydrophobicContact CG-CG2 4.07Å; V147-V155 HydrophobicContact CG1-CG1 3.42Å; V147-V155 VanDerWaalsContact CG1-CG1 3.42Å; L148-V155 WeakPolarHBondContact O-CA 3.39Å; L149-V155 HydrophobicContact CD2-CG2 3.99Å; L149-V155 HydrophobicContact CG-CG2 4.13Å; V155-L281 HydrophobicContact CG2-CD1 3.42Å; V155-L281 VanDerWaalsContact CG2-CD1 3.42Å
156K97.9Very high79.7Confident15 Ų1530.7 Ų30.77%0.06516%0.161CC..EExtended strand (participates in β ladder)trans-134.8146.9-178.8-51.9-161.8-177.8-164.80111.8P76 F77 T79 E97 L99 L148P76-K156 WeakPolarHBondContact O-CD 3.35Å; P76-K156 WeakPolarHBondContact O-CE 3.43Å; P76-K156 WeakPolarHBondContact O-CG 3.47Å; F77-K156 WeakPolarHBondContact O-CA 3.27Å; T79-K156 HydrophobicContact CG2-CB 4.47Å; E97-K156 IonicContact OE1-NZ 2.75Å; E97-K156 PolarHBondContact OE1-NZ 2.82Å; E97-K156 IonicContact OE2-NZ 3.57Å; E97-K156 PolarHBondContact OE2-NZ 2.57Å; L99-K156 HydrophobicContact CD1-CB 3.86Å; L99-K156 HydrophobicContact CD1-CD 4.14Å; L99-K156 HydrophobicContact CD1-CG 4.13Å; L99-K156 HydrophobicContact CD2-CD 4.16Å; L99-K156 HydrophobicContact CD2-CG 4.4Å; L148-K156 PolarHBondContact N-O 2.84Å; L148-K156 PolarHBondContact O-N 2.8Å
157L95.8Very high77Confident3 Ų333.5 Ų33.52%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-76.9135.2167.9-64.2177.7000109.9F77 T79 I125 L129 L132 I142 V147F77-L157 PolarHBondContact O-N 3.03Å; T79-L157 PolarHBondContact N-O 2.98Å; T79-L157 PolarHBondContact OG1-O 2.84Å; I125-L157 HydrophobicContact CG1-CD2 4.38Å; I125-L157 HydrophobicContact CG2-CD2 4.14Å; L129-L157 HydrophobicContact CD2-CD1 4.11Å; L129-L157 HydrophobicContact CG-CD1 4.33Å; L132-L157 HydrophobicContact CD1-CD1 3.88Å; I142-L157 HydrophobicContact CD1-CD1 4.15Å; I142-L157 HydrophobicContact CD1-CD2 3.69Å; V147-L157 HydrophobicContact CG2-CD2 4.22Å
158A90.4Very high73.8Confident4 Ų441.4 Ų41.43%0.03322%0.221CC..  trans-129.3168.1177.600000110.6T79 H139 N146 L148T79-A158 HydrophobicContact CG2-CB 3.68Å; H139-A158 PolarHBondContact CE1-O 3.17Å; H139-A158 PolarHBondContact NE2-O 3.23Å; H139-A158 VanDerWaalsContact NE2-O 3.1Å; N146-A158 PolarHBondContact O-N 3.07Å; L148-A158 HydrophobicContact CD1-CB 3.43Å; L148-A158 VanDerWaalsContact CD1-CB 3.43Å; L148-A158 HydrophobicContact CG-CB 3.65Å
159D78.1Confident70.8Confident45 Ų4544.9 Ų44.924%0.24124%0.244CC..  trans49.680.5174.9-72.4-44.1000113.7K49 H139 G161K49-D159 IonicContact NZ-OD1 3.77Å; K49-D159 PolarHBondContact NZ-OD1 2.83Å; H139-D159 PolarHBondContact CE1-O 3.34Å; H139-D159 VanDerWaalsContact CE1-O 3.27Å; D159-G161 VanDerWaalsContact C-N 3.34Å; D159-G161 PolarHBondContact O-N 3.36Å
160F70.4Confident67.9Low1 Ų148.5 Ų48.50%0.00426%0.261CS..  trans-69.389.6173.3-72.1-95.6000109.9E66 V69 L70 V78 L132 H139 V162 A163E66-F160 HydrophobicContact CG-CB 4.37Å; V69-F160 HydrophobicContact CG1-CD1 4.2Å; L70-F160 HydrophobicContact CD1-CD2 3.52Å; L70-F160 HydrophobicContact CD1-CE2 3.36Å; V78-F160 HydrophobicContact CB-CZ 4.49Å; V78-F160 HydrophobicContact CG1-CE2 3.5Å; V78-F160 VanDerWaalsContact CG1-CE2 3.5Å; V78-F160 HydrophobicContact CG1-CZ 3.44Å; V78-F160 VanDerWaalsContact CG1-CZ 3.44Å; V78-F160 HydrophobicContact CG2-CZ 4.22Å; L132-F160 HydrophobicContact CD1-CE1 3.6Å; L132-F160 HydrophobicContact CD1-CZ 4.08Å; L132-F160 HydrophobicContact CD2-CE1 3.52Å; L132-F160 HydrophobicContact CD2-CZ 3.83Å; L132-F160 HydrophobicContact CG-CE1 4.2Å; H139-F160 AromaticContact CD2-CD1 3.99Å; H139-F160 AromaticContact CD2-CE1 3.93Å; F160-V162 PolarHBondContact O-N 3.32Å; F160-A163 HydrophobicContact CB-CB 4.02Å; F160-A163 HydrophobicContact CD1-CB 4.43Å
161G57.9Low65.2Low12 Ų1255.5 Ų55.512%0.12430%0.296CS..THydrogen-bonded Turntrans-56.4110.2177.600000111D159 A163D159-G161 VanDerWaalsContact C-N 3.34Å; D159-G161 PolarHBondContact O-N 3.36Å; G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.18Å
162V51.1Low62.3Low13 Ų1360.2 Ų60.28%0.07932%0.315CS..THydrogen-bonded Turntrans32.461176.7-166.40000111.6F31 D62 R140 F160 G164 V177F31-V162 HydrophobicContact CZ-CG2 4.22Å; D62-V162 HydrophobicContact CB-CG1 3.99Å; D62-V162 HydrophobicContact CB-CG2 4.24Å; D62-V162 WeakPolarHBondContact OD1-CG1 3.48Å; R140-V162 WeakPolarHBondContact CD-O 3.39Å; R140-V162 PolarHBondContact NH1-O 3.06Å; F160-V162 PolarHBondContact O-N 3.32Å; V162-G164 PolarHBondContact O-N 3.32Å; V162-V177 HydrophobicContact CB-CB 4.48Å; V162-V177 HydrophobicContact CB-CG1 3.87Å; V162-V177 HydrophobicContact CB-CG2 4.07Å; V162-V177 HydrophobicContact CG1-CG2 4.34Å; V162-V177 HydrophobicContact CG2-CB 4.35Å; V162-V177 HydrophobicContact CG2-CG1 3.54Å; V162-V177 HydrophobicContact CG2-CG2 3.86Å
163A44.1Very low59.6Low2 Ų261.5 Ų61.52%0.01732%0.315CS..  trans-68.180.5-178.800000110.3Q65 V69 F160 G161 Q165Q65-A163 VanDerWaalsContact CG-O 3.22Å; Q65-A163 WeakPolarHBondContact CG-O 3.33Å; Q65-A163 PolarHBondContact NE2-O 3.27Å; V69-A163 HydrophobicContact CB-CB 4.18Å; V69-A163 HydrophobicContact CG1-CB 3.96Å; V69-A163 HydrophobicContact CG2-CB 3.96Å; V69-A163 WeakPolarHBondContact CG2-O 3.31Å; F160-A163 HydrophobicContact CB-CB 4.02Å; F160-A163 HydrophobicContact CD1-CB 4.43Å; G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.18Å; A163-Q165 PolarHBondContact O-N 3.46Å
164G40.9Very low56.7Low13 Ų1366.5 Ų66.513%0.13434%0.342CS..  trans-65.6114.6170.500000109R140 V162 L166 Q170R140-G164 PolarHBondContact NH2-O 2.85Å; V162-G164 PolarHBondContact O-N 3.32Å; G164-L166 PolarHBondContact O-N 3.16Å; G164-Q170 PolarHBondContact O-NE2 2.97Å
165Q39.5Very low53.9Low103 Ų10366.6 Ų66.648%0.48135%0.345SS..  trans-54.7134.9165.4-164.5168.610.200108.6A163 T167 Q170A163-Q165 PolarHBondContact O-N 3.46Å; Q165-T167 HydrophobicContact CB-CG2 4.5Å; Q165-T167 HydrophobicContact CG-CG2 4.24Å; Q165-T167 PolarHBondContact O-N 3.21Å; Q165-Q170 PolarHBondContact O-NE2 3.27Å
166L39.4Very low51.3Low84 Ų8468.3 Ų68.344%0.4435%0.352SS..  trans-64.279.6174-78.2151.6000109.3I138 G164I138-L166 HydrophobicContact CD1-CD1 3.93Å; I138-L166 HydrophobicContact CD1-CD2 4.28Å; I138-L166 HydrophobicContact CD1-CG 4.05Å; I138-L166 HydrophobicContact CG1-CD1 4.31Å; G164-L166 PolarHBondContact O-N 3.16Å
167T35.7Very low48.8Very low72 Ų7269.4 Ų69.444%0.44236%0.36SS..  trans-113.8142.2168.355.30000108.7Q165 T169 Q170Q165-T167 HydrophobicContact CB-CG2 4.5Å; Q165-T167 HydrophobicContact CG-CG2 4.24Å; Q165-T167 PolarHBondContact O-N 3.21Å; T167-T169 PolarHBondContact O-N 3.36Å; T167-Q170 PolarHBondContact O-N 3.28Å
168D31.1Very low46.7Very low167 Ų16770 Ų7089%0.89337%0.366SS*.THydrogen-bonded Turntrans-60-1.1-170.7-72.1-39.3000115.3
169T33.1Very low45.6Very low116 Ų11670.7 Ų70.771%0.71237%0.37SS*.THydrogen-bonded Turntrans-93.13.7179.234.30000114.8T167 I171T167-T169 PolarHBondContact O-N 3.36Å; T169-I171 PolarHBondContact O-N 3.43Å
170Q37.8Very low45.6Very low76 Ų7669 Ų6936%0.35536%0.361SS..G310 helixtrans-65.5-2.3-178.8-78.3-175.7-11.800116.1R140 G164 Q165 T167 K172R140-Q170 VanDerWaalsContact NH2-NE2 3.15Å; G164-Q170 PolarHBondContact O-NE2 2.97Å; Q165-Q170 PolarHBondContact O-NE2 3.27Å; T167-Q170 PolarHBondContact O-N 3.28Å; Q170-K172 PolarHBondContact O-N 3.39Å
171I40.5Very low46.5Very low156 Ų15669.2 Ų69.280%0.836%0.363SS*.G310 helixtrans-64.2-13.2-178.8-59.2174.8000113T169T169-I171 PolarHBondContact O-N 3.43Å
172K34.2Very low48.2Very low195 Ų19569.9 Ų69.985%0.84836%0.361SS*.G310 helixtrans-104.9-6.7-173-80.1-173.1176-178.10117.5Q170Q170-K172 PolarHBondContact O-N 3.39Å
173R41Very low50.1Low141 Ų14169.8 Ų69.853%0.53236%0.36SS..  trans-103.489.8-178.8-69.5-173.1-176.8141.8-0.1110.8E61 T175E61-R173 IonicContact OE2-CZ 3.76Å; E61-R173 IonicContact OE2-NE 3.95Å; E61-R173 IonicContact OE2-NH2 2.62Å; E61-R173 PolarHBondContact OE2-NH2 3.33Å; R173-T175 PolarHBondContact O-N 2.96Å
174N36.3Very low52.4Low106 Ų10669.7 Ų69.757%0.56736%0.36SS*.  trans-80.523175.7-87.6-7.7000113.7F176N174-F176 PolarHBondContact O-N 3.24Å
175T39.2Very low54.8Low71 Ų7169.3 Ų69.344%0.43636%0.355SS..  trans-79119.7174.826.80000110R173 V177R173-T175 PolarHBondContact O-N 2.96Å; T175-V177 PolarHBondContact O-N 3.22Å
176F43.7Very low57.2Low39 Ų3965.1 Ų65.117%0.17134%0.335CS..  trans-75.594.6179.3-169.4-90.3000109.2N174 P180 M183 I188 L225 T323N174-F176 PolarHBondContact O-N 3.24Å; F176-P180 HydrophobicContact CE1-CB 4.41Å; F176-M183 HydrophobicContact CD1-CE 4.45Å; F176-M183 HydrophobicContact CD1-SD 4.38Å; F176-M183 HydrophobicContact CD2-CE 4.37Å; F176-M183 HydrophobicContact CE1-CE 3.73Å; F176-M183 HydrophobicContact CE1-SD 3.37Å; F176-M183 WeakPolarHBondContact CE1-SD 3.42Å; F176-M183 HydrophobicContact CE2-CE 3.66Å; F176-M183 HydrophobicContact CE2-SD 4.3Å; F176-M183 HydrophobicContact CZ-CE 3.24Å; F176-M183 HydrophobicContact CZ-SD 3.3Å; F176-M183 WeakPolarHBondContact CZ-SD 3.19Å; F176-I188 HydrophobicContact CZ-CG1 4.34Å; F176-L225 HydrophobicContact CE1-CD1 4.11Å; F176-L225 HydrophobicContact CE1-CD2 3.59Å; F176-L225 HydrophobicContact CE1-CG 4.49Å; F176-L225 HydrophobicContact CE2-CD1 4.32Å; F176-L225 HydrophobicContact CE2-CD2 3.99Å; F176-L225 HydrophobicContact CZ-CD1 3.95Å; F176-L225 HydrophobicContact CZ-CD2 3.11Å; F176-L225 HydrophobicContact CZ-CG 4.15Å; F176-T323 WeakPolarHBondContact O-CG2 3.38Å
177V44.9Very low59.4Low39 Ų3962.4 Ų62.424%0.23632%0.322CS..  trans-95.3128.1-178.7-172.80000110.4V162 T175 M183 T323V162-V177 HydrophobicContact CB-CB 4.48Å; V162-V177 HydrophobicContact CB-CG1 3.87Å; V162-V177 HydrophobicContact CB-CG2 4.07Å; V162-V177 HydrophobicContact CG1-CG2 4.34Å; V162-V177 HydrophobicContact CG2-CB 4.35Å; V162-V177 HydrophobicContact CG2-CG1 3.54Å; V162-V177 HydrophobicContact CG2-CG2 3.86Å; T175-V177 PolarHBondContact O-N 3.22Å; V177-M183 WeakPolarHBondContact O-CE 3.46Å; V177-T323 HydrophobicContact CG2-CG2 4.46Å
178G52.2Low61.6Low14 Ų1460 Ų6014%0.14431%0.306CS..SBendtrans138.2158.6168.300000113.8P180G178-P180 WeakPolarHBondContact O-CD 3.36Å
179T65.4Low64Low20 Ų2058.1 Ų58.112%0.12329%0.29CS..  trans-80.6111.3164.9-43.20000107.7K143 F181 W182K143-T179 PolarHBondContact NZ-OG1 3.12Å; T179-F181 HydrophobicContact CG2-CD2 4.03Å; T179-F181 HydrophobicContact CG2-CE2 4.45Å; T179-F181 PolarHBondContact O-N 3.43Å; T179-W182 HydrophobicContact CG2-CE3 3.81Å; T179-W182 HydrophobicContact CG2-CZ3 3.41Å; T179-W182 VanDerWaalsContact CG2-CZ3 3.41Å; T179-W182 PolarHBondContact O-N 3.14Å; T179-W182 VanDerWaalsContact O-N 3.08Å
180P78.7Confident65.8Low8 Ų858.7 Ų58.75%0.05229%0.285CS..G310 helixtrans-62.8-21.2-157.218.9-30.4000115.5F176 G178 W182 M183 P221 L225 I228F176-P180 HydrophobicContact CE1-CB 4.41Å; G178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-W182 VanDerWaalsContact C-N 3.26Å; P180-W182 PolarHBondContact O-N 3.02Å; P180-M183 HydrophobicContact CB-SD 4.23Å; P180-M183 PolarHBondContact O-N 3.21Å; P180-P221 HydrophobicContact CG-CB 3.67Å; P180-L225 HydrophobicContact CB-CD2 3.51Å; P180-L225 HydrophobicContact CB-CG 4.48Å; P180-I228 WeakPolarHBondContact O-CD1 3.46Å
181F89.7Confident67.3Low7 Ų757.8 Ų57.83%0.03129%0.287CS..G310 helixtrans-65.2-27.3179-46.9-85.8000113.2T179 P214 N216 P221 V224 F321T179-F181 HydrophobicContact CG2-CD2 4.03Å; T179-F181 HydrophobicContact CG2-CE2 4.45Å; T179-F181 PolarHBondContact O-N 3.43Å; F181-P214 HydrophobicContact CB-CB 4.02Å; F181-P214 HydrophobicContact CB-CG 3.9Å; F181-P214 HydrophobicContact CG-CG 4.32Å; F181-N216 WeakPolarHBondContact CE1-O 3.4Å; F181-P221 HydrophobicContact CE2-CG 4.34Å; F181-P221 HydrophobicContact CZ-CG 4.09Å; F181-V224 HydrophobicContact CD1-CB 4.38Å; F181-V224 HydrophobicContact CD1-CG1 4Å; F181-V224 HydrophobicContact CD1-CG2 3.69Å; F181-V224 HydrophobicContact CE1-CB 4.4Å; F181-V224 HydrophobicContact CE1-CG2 3.41Å; F181-V224 VanDerWaalsContact CE1-CG2 3.41Å; F181-V224 HydrophobicContact CZ-CG2 4.33Å; F181-F321 HydrophobicContact CE2-CE2 4.36Å
182W94.3Very high68.7Low26 Ų2655.5 Ų55.510%0.09829%0.291CS..G310 helixtrans-96.7-4.3178.4-65.6-103.3000113.3I142 K143 T179 P180 S201 I204 E208 P214I142-W182 VanDerWaalsContact O-CD1 3.27Å; K143-W182 HydrophobicContact CB-CD2 3.95Å; K143-W182 HydrophobicContact CB-CG 4.1Å; K143-W182 HydrophobicContact CB-CZ2 4.15Å; T179-W182 HydrophobicContact CG2-CE3 3.81Å; T179-W182 HydrophobicContact CG2-CZ3 3.41Å; T179-W182 VanDerWaalsContact CG2-CZ3 3.41Å; T179-W182 PolarHBondContact O-N 3.14Å; T179-W182 VanDerWaalsContact O-N 3.08Å; P180-W182 VanDerWaalsContact C-N 3.26Å; P180-W182 PolarHBondContact O-N 3.02Å; W182-S201 WeakPolarHBondContact O-CA 3.38Å; W182-S201 WeakPolarHBondContact O-CB 3.45Å; W182-S201 PolarHBondContact O-OG 3.42Å; W182-I204 HydrophobicContact CB-CG2 4.39Å; W182-I204 VanDerWaalsContact CD1-CG2 3.45Å; W182-I204 HydrophobicContact CD2-CG2 4.31Å; W182-I204 HydrophobicContact CG-CB 4.27Å; W182-I204 HydrophobicContact CG-CG2 3.8Å; W182-E208 VanDerWaalsContact CZ2-CD 3.43Å; W182-E208 HydrophobicContact CZ2-CG 4.29Å; W182-E208 VanDerWaalsContact CZ2-OE1 3.31Å; W182-E208 WeakPolarHBondContact CZ2-OE1 3.49Å; W182-E208 PolarHBondContact NE1-OE2 3.25Å; W182-P214 HydrophobicContact CD2-CB 4.48Å; W182-P214 HydrophobicContact CH2-CB 4.16Å; W182-P214 HydrophobicContact CH2-CG 3.5Å; W182-P214 HydrophobicContact CZ2-CB 3.77Å; W182-P214 HydrophobicContact CZ2-CG 3.57Å; W182-P214 HydrophobicContact CZ3-CG 4.07Å
183M90.1Very high70.5Confident10 Ų1049.1 Ų49.15%0.04926%0.262CS..  trans-75.4138-173.5-68.2178.771.500112.2F176 V177 P180 V187 I188 W200F176-M183 HydrophobicContact CD1-CE 4.45Å; F176-M183 HydrophobicContact CD1-SD 4.38Å; F176-M183 HydrophobicContact CD2-CE 4.37Å; F176-M183 HydrophobicContact CE1-CE 3.73Å; F176-M183 HydrophobicContact CE1-SD 3.37Å; F176-M183 WeakPolarHBondContact CE1-SD 3.42Å; F176-M183 HydrophobicContact CE2-CE 3.66Å; F176-M183 HydrophobicContact CE2-SD 4.3Å; F176-M183 HydrophobicContact CZ-CE 3.24Å; F176-M183 HydrophobicContact CZ-SD 3.3Å; F176-M183 WeakPolarHBondContact CZ-SD 3.19Å; V177-M183 WeakPolarHBondContact O-CE 3.46Å; P180-M183 HydrophobicContact CB-SD 4.23Å; P180-M183 PolarHBondContact O-N 3.21Å; M183-V187 HydrophobicContact CE-CB 4.35Å; M183-V187 HydrophobicContact CE-CG1 3.53Å; M183-I188 HydrophobicContact CB-CD1 4.09Å; M183-I188 HydrophobicContact CB-CG1 3.9Å; M183-I188 HydrophobicContact CE-CG1 4.26Å; M183-W200 PolarHBondContact O-NE1 3.13Å
184A91.7Very high72.5Confident1 Ų145.3 Ų45.31%0.00825%0.252CS..  trans-71.2149175.300000111.7E186 V187 I188 A197 W200A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 VanDerWaalsContact CB-CD 3.5Å; A184-E186 WeakPolarHBondContact CB-OE1 3.45Å; A184-E186 WeakPolarHBondContact CB-OE2 3.35Å; A184-E186 PolarHBondContact O-N 3.4Å; A184-V187 HydrophobicContact CB-CG2 4.06Å; A184-V187 WeakPolarHBondContact O-CB 3.42Å; A184-V187 PolarHBondContact O-N 3.09Å; A184-V187 VanDerWaalsContact O-N 3.09Å; A184-I188 PolarHBondContact O-N 3.3Å; A184-A197 HydrophobicContact CB-CB 4.28Å; A184-W200 VanDerWaalsContact CA-CD1 3.44Å; A184-W200 HydrophobicContact CB-CB 3.72Å; A184-W200 HydrophobicContact CB-CD2 4.34Å; A184-W200 HydrophobicContact CB-CG 3.7Å
185P91.9Very high75Confident5 Ų543.3 Ų43.33%0.03224%0.239CC..Hα-helixtrans-56.4-36.8-178-2532.7000114.2I188 K189 W200 I228P185-I188 PolarHBondContact O-N 3.1Å; P185-K189 WeakPolarHBondContact O-CG 3.41Å; P185-K189 PolarHBondContact O-N 3.13Å; P185-K189 VanDerWaalsContact O-N 3.09Å; P185-W200 HydrophobicContact CG-CE3 4.3Å; P185-W200 HydrophobicContact CG-CH2 3.69Å; P185-W200 HydrophobicContact CG-CZ2 3.94Å; P185-W200 HydrophobicContact CG-CZ3 3.88Å; P185-I228 HydrophobicContact CB-CG2 4.31Å; P185-I228 HydrophobicContact CG-CG2 3.86Å
186E89.4Confident77.6Confident15 Ų1541 Ų417%0.0722%0.222CC..Hα-helixtrans-70.8-32.617967.4-81-16800113A184 K189 Q190 S191 P256 R259A184-E186 VanDerWaalsContact C-N 3.26Å; A184-E186 VanDerWaalsContact CB-CD 3.5Å; A184-E186 WeakPolarHBondContact CB-OE1 3.45Å; A184-E186 WeakPolarHBondContact CB-OE2 3.35Å; A184-E186 PolarHBondContact O-N 3.4Å; E186-K189 PolarHBondContact O-N 2.92Å; E186-Q190 PolarHBondContact O-N 3.22Å; E186-S191 PolarHBondContact O-N 3.16Å; E186-P256 HydrophobicContact CG-CG 4Å; E186-R259 IonicContact OE1-CZ 2.92Å; E186-R259 IonicContact OE1-NH1 3.93Å; E186-R259 PolarHBondContact OE1-NH1 3.39Å; E186-R259 IonicContact OE1-NH2 3.82Å; E186-R259 PolarHBondContact OE1-NH2 3.34Å; E186-R259 IonicContact OE2-CZ 3.64Å; E186-R259 IonicContact OE2-NH1 2.9Å; E186-R259 IonicContact OE2-NH2 3.36Å; E186-R259 PolarHBondContact OE2-NH2 3.01Å
187V86Confident80Confident27 Ų2739.3 Ų39.316%0.16422%0.216CC..Hα-helixtrans-67.6-43.3174.7-178.30000109.5M183 A184 K189 Q190 Y193 A197M183-V187 HydrophobicContact CE-CB 4.35Å; M183-V187 HydrophobicContact CE-CG1 3.53Å; A184-V187 HydrophobicContact CB-CG2 4.06Å; A184-V187 WeakPolarHBondContact O-CB 3.42Å; A184-V187 PolarHBondContact O-N 3.09Å; A184-V187 VanDerWaalsContact O-N 3.09Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.4Å; V187-Q190 PolarHBondContact O-N 2.89Å; V187-Q190 VanDerWaalsContact O-N 3.12Å; V187-Y193 HydrophobicContact CG1-CE1 4.43Å; V187-Y193 HydrophobicContact CG2-CD1 4.08Å; V187-Y193 HydrophobicContact CG2-CD2 4.02Å; V187-Y193 HydrophobicContact CG2-CE2 4.48Å; V187-Y193 HydrophobicContact CG2-CG 3.8Å; V187-A197 HydrophobicContact CG2-CB 3.76Å
188I82.8Confident82.4Confident22 Ų2237.5 Ų37.511%0.11321%0.205CC..Hα-helixtrans-63.6-39.4177.3-63.7170.8000111.6F176 M183 A184 P185 Q190 L225 I228 P229F176-I188 HydrophobicContact CZ-CG1 4.34Å; M183-I188 HydrophobicContact CB-CD1 4.09Å; M183-I188 HydrophobicContact CB-CG1 3.9Å; M183-I188 HydrophobicContact CE-CG1 4.26Å; A184-I188 PolarHBondContact O-N 3.3Å; P185-I188 PolarHBondContact O-N 3.1Å; I188-Q190 PolarHBondContact O-N 3.28Å; I188-L225 HydrophobicContact CD1-CD2 4.45Å; I188-L225 HydrophobicContact CG1-CD2 4.43Å; I188-L225 HydrophobicContact CG2-CB 4.37Å; I188-L225 HydrophobicContact CG2-CD2 4.44Å; I188-L225 WeakPolarHBondContact CG2-O 3.45Å; I188-I228 HydrophobicContact CD1-CB 3.68Å; I188-I228 HydrophobicContact CD1-CD1 3.79Å; I188-I228 HydrophobicContact CD1-CG1 4.33Å; I188-I228 HydrophobicContact CD1-CG2 3.63Å; I188-P229 HydrophobicContact CB-CG 4.24Å; I188-P229 HydrophobicContact CG2-CG 3.8Å
189K80.7Confident84.6Confident127 Ų12736.8 Ų36.855%0.55220%0.198SC*.THydrogen-bonded Turntrans-75.83.2177.7-71179.9-174.2-176.60113.8P185 E186 V187 S191 P229P185-K189 WeakPolarHBondContact O-CG 3.41Å; P185-K189 PolarHBondContact O-N 3.13Å; P185-K189 VanDerWaalsContact O-N 3.09Å; E186-K189 PolarHBondContact O-N 2.92Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.4Å; K189-S191 PolarHBondContact O-N 3.03Å; K189-S191 VanDerWaalsContact O-N 3.1Å; K189-P229 HydrophobicContact CG-CB 4.49Å; K189-P229 HydrophobicContact CG-CG 4.49Å
190Q70.6Confident86.2Confident128 Ų12836 Ų3660%0.59819%0.193SC*.THydrogen-bonded Turntrans52.531.3-174.9-58.8177.7-13.800112.7E186 V187 I188E186-Q190 PolarHBondContact O-N 3.22Å; V187-Q190 PolarHBondContact O-N 2.89Å; V187-Q190 VanDerWaalsContact O-N 3.12Å; I188-Q190 PolarHBondContact O-N 3.28Å
191S69.2Low87.1Confident57 Ų5736 Ų3640%0.39919%0.192SC..  trans-78.2157.1171.9-58.30000109E186 K189 Y193E186-S191 PolarHBondContact O-N 3.16Å; K189-S191 PolarHBondContact O-N 3.03Å; K189-S191 VanDerWaalsContact O-N 3.1Å; S191-Y193 PolarHBondContact O-N 2.86Å; S191-Y193 VanDerWaalsContact O-N 3.17Å
192A70.2Confident87.5Confident108 Ų10835.6 Ų35.689%0.89319%0.191SC*.  trans-55125.7168.500000109
193Y72.6Confident87.7Confident61 Ų6134.4 Ų34.424%0.23919%0.186CC..  trans-126.6153.1-179.668.7-91.7000110.2I138 R140 V187 S191 A197I138-Y193 HydrophobicContact CD1-CD2 4.43Å; I138-Y193 HydrophobicContact CD1-CE2 4.3Å; R140-Y193 PolarHBondContact NE-OH 2.87Å; R140-Y193 PolarHBondContact NH1-OH 3.49Å; R140-Y193 PolarHBondContact NH2-OH 3.05Å; V187-Y193 HydrophobicContact CG1-CE1 4.43Å; V187-Y193 HydrophobicContact CG2-CD1 4.08Å; V187-Y193 HydrophobicContact CG2-CD2 4.02Å; V187-Y193 HydrophobicContact CG2-CE2 4.48Å; V187-Y193 HydrophobicContact CG2-CG 3.8Å; S191-Y193 PolarHBondContact O-N 2.86Å; S191-Y193 VanDerWaalsContact O-N 3.17Å; Y193-A197 HydrophobicContact CD2-CB 4.03Å
194D82.7Confident88.1Confident60 Ų6034 Ų3432%0.32119%0.185SC..  trans-122.7-164.6178.867.45.6000110.2K196 A197D194-K196 PolarHBondContact O-N 2.86Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 VanDerWaalsContact OD1-CG 3.23Å; D194-K196 WeakPolarHBondContact OD1-CG 3.29Å; D194-K196 PolarHBondContact OD1-N 3.28Å; D194-A197 WeakPolarHBondContact O-CB 3.5Å; D194-A197 PolarHBondContact O-N 2.78Å; D194-A197 VanDerWaalsContact O-N 3.12Å
195F88.6Confident88.4Confident64 Ų6434 Ų3428%0.28118%0.184SC..THydrogen-bonded Turntrans-60.8-12.2178.663.5-95.8000114.4H133 I138 A197 D198 T261H133-F195 HydrophobicContact CB-CB 4.19Å; H133-F195 HydrophobicContact CB-CD2 4.24Å; H133-F195 HydrophobicContact CB-CG 4.21Å; H133-F195 PolarHBondContact CE1-O 3.23Å; H133-F195 VanDerWaalsContact CE1-O 3.23Å; H133-F195 AromaticContact CG-CD2 3.91Å; H133-F195 AromaticContact CG-CG 3.98Å; H133-F195 AromaticContact ND1-CD2 3.49Å; H133-F195 WeakPolarHBondContact ND1-CD2 3.45Å; H133-F195 AromaticContact ND1-CG 3.99Å; I138-F195 HydrophobicContact CG1-CB 4.37Å; F195-A197 PolarHBondContact O-N 3.38Å; F195-D198 PolarHBondContact O-N 3.27Å; F195-T261 HydrophobicContact CE2-CG2 4.26Å
196K95.1Very high88.7Confident22 Ų2233.8 Ų33.810%0.09618%0.183CC..Hα-helixtrans-69.8-15.7173.9-59.3-61.4-168.573.30112.9D194 D198 I199 W200 P256 R259D194-K196 PolarHBondContact O-N 2.86Å; D194-K196 WeakPolarHBondContact OD1-CB 3.39Å; D194-K196 VanDerWaalsContact OD1-CG 3.23Å; D194-K196 WeakPolarHBondContact OD1-CG 3.29Å; D194-K196 PolarHBondContact OD1-N 3.28Å; K196-D198 VanDerWaalsContact C-N 3.32Å; K196-I199 HydrophobicContact CD-CG1 4.35Å; K196-I199 PolarHBondContact O-N 2.92Å; K196-W200 PolarHBondContact O-N 3.01Å; K196-P256 HydrophobicContact CB-CB 3.89Å; K196-P256 HydrophobicContact CG-CB 4.4Å; K196-P256 PolarHBondContact NZ-O 3.46Å; K196-P256 VanDerWaalsContact NZ-O 3.12Å; K196-R259 HydrophobicContact CD-CB 4.39Å; K196-R259 WeakPolarHBondContact CE-O 3.32Å; K196-R259 PolarHBondContact NZ-O 3.07Å; K196-R259 PolarHBondContact O-NH1 2.93Å
197A93.5Very high89.2Confident5 Ų533.2 Ų33.24%0.04118%0.18CC..Hα-helixtrans-59.9-43.6169.700000111.1A184 V187 Y193 D194 F195 I199 W200 S201A184-A197 HydrophobicContact CB-CB 4.28Å; V187-A197 HydrophobicContact CG2-CB 3.76Å; Y193-A197 HydrophobicContact CD2-CB 4.03Å; D194-A197 WeakPolarHBondContact O-CB 3.5Å; D194-A197 PolarHBondContact O-N 2.78Å; D194-A197 VanDerWaalsContact O-N 3.12Å; F195-A197 PolarHBondContact O-N 3.38Å; A197-I199 PolarHBondContact O-N 3Å; A197-W200 WeakPolarHBondContact O-CB 3.43Å; A197-W200 PolarHBondContact O-N 2.76Å; A197-W200 VanDerWaalsContact O-N 3.12Å; A197-S201 PolarHBondContact O-N 3.32Å; A197-S201 VanDerWaalsContact O-N 3.1Å; A197-S201 PolarHBondContact O-OG 3Å
198D95.3Very high89.8Confident0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-62.7-31.1177.2-68.5-23.4000112.2L129 H133 I138 H139 R140 I142 F195 K196 S201 L202L129-D198 HydrophobicContact CD1-CB 4.4Å; L129-D198 HydrophobicContact CD2-CB 3.86Å; H133-D198 IonicContact CD2-OD2 2.81Å; H133-D198 IonicContact CE1-OD2 3.34Å; H133-D198 IonicContact NE2-OD2 2.8Å; H133-D198 PolarHBondContact NE2-OD2 3.48Å; I138-D198 WeakPolarHBondContact CG2-OD2 3.38Å; H139-D198 PolarHBondContact N-OD1 3.29Å; H139-D198 PolarHBondContact N-OD2 2.67Å; R140-D198 PolarHBondContact N-OD1 3.08Å; I142-D198 HydrophobicContact CG1-CB 4.34Å; F195-D198 PolarHBondContact O-N 3.27Å; K196-D198 VanDerWaalsContact C-N 3.32Å; D198-S201 PolarHBondContact O-N 2.83Å; D198-L202 WeakPolarHBondContact O-CB 3.19Å; D198-L202 PolarHBondContact O-N 3.15Å
199I98.5Very high90.5Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-69-36.4177.5-55.6-59.3000111.3K196 A197 L202 G203 C251 R259 A262 L265K196-I199 HydrophobicContact CD-CG1 4.35Å; K196-I199 PolarHBondContact O-N 2.92Å; A197-I199 PolarHBondContact O-N 3Å; I199-L202 WeakPolarHBondContact O-CB 3.3Å; I199-G203 PolarHBondContact O-N 3.24Å; I199-G203 VanDerWaalsContact O-N 3.13Å; I199-C251 HydrophobicContact CG2-CB 4.31Å; I199-C251 WeakPolarHBondContact O-CB 3.42Å; I199-R259 HydrophobicContact CG2-CB 4.11Å; I199-A262 HydrophobicContact CD1-CB 4.18Å; I199-L265 HydrophobicContact CD1-CD1 4.3Å; I199-L265 HydrophobicContact CG2-CD1 3.87Å
200W98.1Very high91.3Very high4 Ų425.2 Ų25.22%0.01514%0.143CC..Hα-helixtrans-64.4-49.7171.4174.1-79.4000110.7M183 A184 P185 K196 A197 L202 G203 I204 I228 P233 L252M183-W200 PolarHBondContact O-NE1 3.13Å; A184-W200 VanDerWaalsContact CA-CD1 3.44Å; A184-W200 HydrophobicContact CB-CB 3.72Å; A184-W200 HydrophobicContact CB-CD2 4.34Å; A184-W200 HydrophobicContact CB-CG 3.7Å; P185-W200 HydrophobicContact CG-CE3 4.3Å; P185-W200 HydrophobicContact CG-CH2 3.69Å; P185-W200 HydrophobicContact CG-CZ2 3.94Å; P185-W200 HydrophobicContact CG-CZ3 3.88Å; K196-W200 PolarHBondContact O-N 3.01Å; A197-W200 WeakPolarHBondContact O-CB 3.43Å; A197-W200 PolarHBondContact O-N 2.76Å; A197-W200 VanDerWaalsContact O-N 3.12Å; W200-L202 VanDerWaalsContact C-N 3.26Å; W200-L202 PolarHBondContact O-N 3.12Å; W200-G203 WeakPolarHBondContact O-CA 3.49Å; W200-G203 PolarHBondContact O-N 3.44Å; W200-I204 PolarHBondContact O-N 3.28Å; W200-I228 HydrophobicContact CZ2-CG2 4.05Å; W200-P233 HydrophobicContact CH2-CB 4.22Å; W200-P233 HydrophobicContact CZ3-CB 4.43Å; W200-L252 HydrophobicContact CD2-CD2 3.81Å; W200-L252 HydrophobicContact CE3-CD2 4.03Å; W200-L252 HydrophobicContact CG-CD2 4.17Å; W200-L252 HydrophobicContact CZ2-CD2 4.4Å; W200-L252 HydrophobicContact CZ3-CB 4.33Å; W200-L252 HydrophobicContact CZ3-CD2 4.42Å; W200-L252 WeakPolarHBondContact O-CD2 3.44Å
201S97.3Very high92.6Very high6 Ų624.5 Ų24.54%0.04214%0.138CC..Hα-helixtrans-58.1-39.9178.7-56.50000111.6W182 A197 D198 G203 I204 T205W182-S201 WeakPolarHBondContact O-CA 3.38Å; W182-S201 WeakPolarHBondContact O-CB 3.45Å; W182-S201 PolarHBondContact O-OG 3.42Å; A197-S201 PolarHBondContact O-N 3.32Å; A197-S201 VanDerWaalsContact O-N 3.1Å; A197-S201 PolarHBondContact O-OG 3Å; D198-S201 PolarHBondContact O-N 2.83Å; S201-G203 VanDerWaalsContact C-N 3.33Å; S201-G203 PolarHBondContact O-N 3.11Å; S201-I204 WeakPolarHBondContact O-CB 3.43Å; S201-I204 PolarHBondContact O-N 3.07Å; S201-I204 VanDerWaalsContact O-N 3.12Å; S201-T205 PolarHBondContact O-N 3.41Å; S201-T205 PolarHBondContact O-OG1 3.35Å
202L98.6Very high93.8Very high0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-57.3-41.7171178.468.9000112.8L122 I125 L126 L129 D198 I199 W200 I204 T205 A206 F247 L265L122-L202 HydrophobicContact CD2-CD1 3.53Å; L122-L202 HydrophobicContact CD2-CG 4.37Å; I125-L202 HydrophobicContact CB-CD1 4.23Å; I125-L202 HydrophobicContact CD1-CD1 4.5Å; I125-L202 HydrophobicContact CG2-CD1 3.51Å; L126-L202 HydrophobicContact CD2-CD2 3.41Å; L126-L202 VanDerWaalsContact CD2-CD2 3.41Å; L126-L202 HydrophobicContact CG-CD2 3.95Å; L129-L202 HydrophobicContact CD1-CB 4.36Å; L129-L202 HydrophobicContact CD1-CD2 4.22Å; D198-L202 WeakPolarHBondContact O-CB 3.19Å; D198-L202 PolarHBondContact O-N 3.15Å; I199-L202 WeakPolarHBondContact O-CB 3.3Å; W200-L202 VanDerWaalsContact C-N 3.26Å; W200-L202 PolarHBondContact O-N 3.12Å; L202-I204 VanDerWaalsContact C-N 3.32Å; L202-T205 PolarHBondContact O-N 2.83Å; L202-A206 WeakPolarHBondContact O-CB 3.33Å; L202-A206 PolarHBondContact O-N 2.86Å; L202-F247 HydrophobicContact CD2-CZ 4.25Å; L202-L265 HydrophobicContact CD2-CD1 4.05Å
203G98.7Very high94.9Very high0 Ų022.3 Ų22.30%011%0.111CC..Hα-helixtrans-62.6-38.8175.400000112.5I199 W200 S201 A206 I207I199-G203 PolarHBondContact O-N 3.24Å; I199-G203 VanDerWaalsContact O-N 3.13Å; W200-G203 WeakPolarHBondContact O-CA 3.49Å; W200-G203 PolarHBondContact O-N 3.44Å; S201-G203 VanDerWaalsContact C-N 3.33Å; S201-G203 PolarHBondContact O-N 3.11Å; G203-A206 WeakPolarHBondContact O-CB 3.49Å; G203-A206 PolarHBondContact O-N 2.66Å; G203-I207 PolarHBondContact O-N 3.12Å
204I98.5Very high96Very high3 Ų320 Ų202%0.01510%0.103CC..Hα-helixtrans-68.4-44.5173.7-58.4-59.5000110.8W182 W200 S201 L202 A206 I207 E208 P214 P215 P234 L252W182-I204 HydrophobicContact CB-CG2 4.39Å; W182-I204 VanDerWaalsContact CD1-CG2 3.45Å; W182-I204 HydrophobicContact CD2-CG2 4.31Å; W182-I204 HydrophobicContact CG-CB 4.27Å; W182-I204 HydrophobicContact CG-CG2 3.8Å; W200-I204 PolarHBondContact O-N 3.28Å; S201-I204 WeakPolarHBondContact O-CB 3.43Å; S201-I204 PolarHBondContact O-N 3.07Å; S201-I204 VanDerWaalsContact O-N 3.12Å; L202-I204 VanDerWaalsContact C-N 3.32Å; I204-A206 PolarHBondContact O-N 3.3Å; I204-I207 WeakPolarHBondContact O-CB 3.42Å; I204-I207 PolarHBondContact O-N 3.12Å; I204-E208 PolarHBondContact O-N 3.31Å; I204-P214 HydrophobicContact CG2-CB 3.76Å; I204-P215 HydrophobicContact CD1-CG 4.22Å; I204-P234 HydrophobicContact CD1-CG 4.2Å; I204-L252 HydrophobicContact CD1-CD1 4.03Å; I204-L252 HydrophobicContact CD1-CD2 3.72Å; I204-L252 HydrophobicContact CG1-CD2 3.99Å
205T98.5Very high96.6Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-60.1-34.3174.5-540000112I142 K143 A144 S201 L202 I207 E208 L209I142-T205 PolarHBondContact O-OG1 3.5Å; K143-T205 WeakPolarHBondContact CA-OG1 3.39Å; A144-T205 HydrophobicContact CB-CG2 4.43Å; S201-T205 PolarHBondContact O-N 3.41Å; S201-T205 PolarHBondContact O-OG1 3.35Å; L202-T205 PolarHBondContact O-N 2.83Å; T205-I207 VanDerWaalsContact C-N 3.34Å; T205-I207 PolarHBondContact O-N 3.27Å; T205-E208 WeakPolarHBondContact O-CB 3.48Å; T205-E208 PolarHBondContact O-N 3.05Å; T205-L209 HydrophobicContact CG2-CD1 4.2Å; T205-L209 HydrophobicContact CG2-CG 4.29Å; T205-L209 WeakPolarHBondContact O-CB 3.42Å; T205-L209 VanDerWaalsContact O-CG 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 3.1Å
206A98.8Very high96.8Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-64.5-37.8174.200000112.2L122 L202 G203 I204 A210 F244 F247 V248L122-A206 HydrophobicContact CD1-CB 3.9Å; L122-A206 HydrophobicContact CD2-CB 4.09Å; L202-A206 WeakPolarHBondContact O-CB 3.33Å; L202-A206 PolarHBondContact O-N 2.86Å; G203-A206 WeakPolarHBondContact O-CB 3.49Å; G203-A206 PolarHBondContact O-N 2.66Å; I204-A206 PolarHBondContact O-N 3.3Å; A206-A210 PolarHBondContact O-N 2.96Å; A206-F244 HydrophobicContact CB-CE2 4.18Å; A206-F247 HydrophobicContact CB-CD1 4.47Å; A206-F247 HydrophobicContact CB-CE1 4.28Å; A206-V248 HydrophobicContact CB-CG2 3.98Å
207I98.6Very high96.6Very high4 Ų417 Ų172%0.0219%0.094CC..Hα-helixtrans-68.4-44.4172.4-64172.8000110.6G203 I204 T205 L209 A210 K211 P215 P234 L236 V248 L252G203-I207 PolarHBondContact O-N 3.12Å; I204-I207 WeakPolarHBondContact O-CB 3.42Å; I204-I207 PolarHBondContact O-N 3.12Å; T205-I207 VanDerWaalsContact C-N 3.34Å; T205-I207 PolarHBondContact O-N 3.27Å; I207-L209 PolarHBondContact O-N 3.26Å; I207-A210 WeakPolarHBondContact O-CB 3.41Å; I207-A210 PolarHBondContact O-N 2.82Å; I207-A210 VanDerWaalsContact O-N 3.09Å; I207-K211 HydrophobicContact CG2-CD 3.79Å; I207-K211 HydrophobicContact CG2-CG 4.19Å; I207-K211 PolarHBondContact O-N 2.72Å; I207-P215 HydrophobicContact CD1-CG 3.84Å; I207-P215 HydrophobicContact CG2-CG 4.1Å; I207-P234 HydrophobicContact CD1-CB 4.01Å; I207-L236 HydrophobicContact CG1-CD1 4.44Å; I207-V248 HydrophobicContact CD1-CG1 3.77Å; I207-V248 HydrophobicContact CG1-CG1 3.74Å; I207-V248 HydrophobicContact CG1-CG2 4.38Å; I207-L252 HydrophobicContact CD1-CD1 3.71Å
208E98.2Very high96.3Very high4 Ų423.4 Ų23.42%0.01912%0.122CC..Hα-helixtrans-56.3-47.9177.1179.4-170.6-166.500111.6A144 W182 I204 T205 A210 K211 G212A144-E208 HydrophobicContact CB-CG 4.13Å; A144-E208 VanDerWaalsContact CB-OE1 3.27Å; A144-E208 WeakPolarHBondContact CB-OE1 3.26Å; A144-E208 WeakPolarHBondContact CB-OE2 3.15Å; A144-E208 PolarHBondContact N-OE1 2.71Å; A144-E208 PolarHBondContact N-OE2 3.37Å; W182-E208 VanDerWaalsContact CZ2-CD 3.43Å; W182-E208 HydrophobicContact CZ2-CG 4.29Å; W182-E208 VanDerWaalsContact CZ2-OE1 3.31Å; W182-E208 WeakPolarHBondContact CZ2-OE1 3.49Å; W182-E208 PolarHBondContact NE1-OE2 3.25Å; I204-E208 PolarHBondContact O-N 3.31Å; T205-E208 WeakPolarHBondContact O-CB 3.48Å; T205-E208 PolarHBondContact O-N 3.05Å; E208-A210 PolarHBondContact O-N 2.8Å; E208-K211 PolarHBondContact O-N 3.01Å; E208-G212 CarbonylContact O-C 3.39Å; E208-G212 WeakPolarHBondContact O-CA 3.32Å; E208-G212 PolarHBondContact O-N 2.98Å
209L98.4Very high95.9Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-64.3-25.6177.2-69.6172.4000113.4A104 L108 L113 I118 I121 L122 A144 T205 I207A104-L209 HydrophobicContact CB-CD2 3.93Å; L108-L209 HydrophobicContact CD1-CD2 4.35Å; L108-L209 WeakPolarHBondContact CD2-O 3.42Å; L113-L209 HydrophobicContact CD1-CD2 4.17Å; I118-L209 WeakPolarHBondContact CD1-O 3.41Å; I118-L209 HydrophobicContact CG1-CB 4.19Å; I118-L209 HydrophobicContact CG2-CB 4.01Å; I118-L209 HydrophobicContact CG2-CD1 4.27Å; I121-L209 HydrophobicContact CB-CD1 4.5Å; I121-L209 HydrophobicContact CG2-CD1 3.96Å; L122-L209 HydrophobicContact CD2-CD1 4.17Å; L122-L209 HydrophobicContact CG-CD1 4.28Å; A144-L209 HydrophobicContact CB-CD2 4.05Å; T205-L209 HydrophobicContact CG2-CD1 4.2Å; T205-L209 HydrophobicContact CG2-CG 4.29Å; T205-L209 WeakPolarHBondContact O-CB 3.42Å; T205-L209 VanDerWaalsContact O-CG 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 3.1Å; I207-L209 PolarHBondContact O-N 3.26Å
210A98.1Very high95.2Very high4 Ų431.5 Ų31.53%0.03316%0.162CC..Hα-helixtrans-85.1-44.4178.300000112.2I118 A206 I207 E208 L236 Y240 F244I118-A210 HydrophobicContact CD1-CB 4.07Å; A206-A210 PolarHBondContact O-N 2.96Å; I207-A210 WeakPolarHBondContact O-CB 3.41Å; I207-A210 PolarHBondContact O-N 2.82Å; I207-A210 VanDerWaalsContact O-N 3.09Å; E208-A210 PolarHBondContact O-N 2.8Å; A210-L236 HydrophobicContact CB-CD1 3.86Å; A210-Y240 HydrophobicContact CB-CE1 3.86Å; A210-Y240 HydrophobicContact CB-CE2 4.49Å; A210-Y240 PolarHBondContact O-OH 3.43Å; A210-F244 HydrophobicContact CB-CE1 3.78Å; A210-F244 HydrophobicContact CB-CZ 3.93Å
211K96.6Very high94.3Very high112 Ų11232.3 Ų32.349%0.48717%0.167SC..Hα-helixtrans-102.9-8.4-169.9-57.8-172.181.3179.80113.8I207 E208 E213 L236I207-K211 HydrophobicContact CG2-CD 3.79Å; I207-K211 HydrophobicContact CG2-CG 4.19Å; I207-K211 PolarHBondContact O-N 2.72Å; E208-K211 PolarHBondContact O-N 3.01Å; K211-E213 VanDerWaalsContact C-N 3.25Å; K211-E213 PolarHBondContact O-N 2.77Å; K211-L236 HydrophobicContact CD-CD1 4.39Å; K211-L236 HydrophobicContact CG-CD1 4.32Å
212G95.3Very high93.3Very high28 Ų2837.1 Ų37.129%0.28919%0.19SC..SBendtrans88.7-23.6-174.100000113.9E208E208-G212 CarbonylContact O-C 3.39Å; E208-G212 WeakPolarHBondContact O-CA 3.32Å; E208-G212 PolarHBondContact O-N 2.98Å
213E94.1Very high92.7Very high92 Ų9243.8 Ų43.843%0.4322%0.216SC..SBendtrans-142.7152.7-175-64.6-171165.800111.6K211 S217K211-E213 VanDerWaalsContact C-N 3.25Å; K211-E213 PolarHBondContact O-N 2.77Å; E213-S217 WeakPolarHBondContact OE2-CB 3.39Å; E213-S217 PolarHBondContact OE2-OG 3.28Å
214P95.7Very high92.1Very high13 Ų1343.8 Ų43.88%0.08422%0.216CC..  trans-70.6164174.535-41.1000111.7F181 W182 I204 N216 S217F181-P214 HydrophobicContact CB-CB 4.02Å; F181-P214 HydrophobicContact CB-CG 3.9Å; F181-P214 HydrophobicContact CG-CG 4.32Å; W182-P214 HydrophobicContact CD2-CB 4.48Å; W182-P214 HydrophobicContact CH2-CB 4.16Å; W182-P214 HydrophobicContact CH2-CG 3.5Å; W182-P214 HydrophobicContact CZ2-CB 3.77Å; W182-P214 HydrophobicContact CZ2-CG 3.57Å; W182-P214 HydrophobicContact CZ3-CG 4.07Å; I204-P214 HydrophobicContact CG2-CB 3.76Å; P214-N216 PolarHBondContact O-N 2.68Å; P214-S217 PolarHBondContact O-N 2.95Å; P214-S217 PolarHBondContact O-OG 3.25Å
215P95.3Very high91.4Very high27 Ų2745.6 Ų45.618%0.17523%0.225CC..THydrogen-bonded Turntrans-59.1137172.7-21.533.6000112.5I204 I207 S217 P234I204-P215 HydrophobicContact CD1-CG 4.22Å; I207-P215 HydrophobicContact CD1-CG 3.84Å; I207-P215 HydrophobicContact CG2-CG 4.1Å; P215-S217 VanDerWaalsContact C-N 3.29Å; P215-P234 HydrophobicContact CB-CB 3.99Å; P215-P234 HydrophobicContact CB-CG 3.99Å; P215-P234 HydrophobicContact CG-CB 3.65Å; P215-P234 HydrophobicContact CG-CG 3.91Å
216N92Very high90.8Very high46 Ų4652.5 Ų52.525%0.24626%0.256CS..THydrogen-bonded Turntrans66.322.9-179.9-41.2-80.3000114.4F181 P214 E218 L219 V224F181-N216 WeakPolarHBondContact CE1-O 3.4Å; P214-N216 PolarHBondContact O-N 2.68Å; N216-E218 VanDerWaalsContact CA-OE2 3.27Å; N216-E218 WeakPolarHBondContact CA-OE2 3.46Å; N216-E218 PolarHBondContact O-N 3.39Å; N216-E218 VanDerWaalsContact O-N 3.15Å; N216-L219 HydrophobicContact CB-CB 4.32Å; N216-L219 HydrophobicContact CB-CD1 3.84Å; N216-L219 HydrophobicContact CB-CG 4.03Å; N216-L219 WeakPolarHBondContact O-CB 3.3Å; N216-L219 PolarHBondContact O-N 3.07Å; N216-V224 HydrophobicContact CB-CG2 4.3Å
217S90.4Very high90.4Very high10 Ų1053.4 Ų53.47%0.0726%0.26CS..THydrogen-bonded Turntrans-52.7-32177.750.40000112.7E213 P214 P215 L219 W319E213-S217 WeakPolarHBondContact OE2-CB 3.39Å; E213-S217 PolarHBondContact OE2-OG 3.28Å; P214-S217 PolarHBondContact O-N 2.95Å; P214-S217 PolarHBondContact O-OG 3.25Å; P215-S217 VanDerWaalsContact C-N 3.29Å; S217-L219 VanDerWaalsContact C-N 3.27Å; S217-L219 PolarHBondContact O-N 3.1Å; S217-W319 WeakPolarHBondContact O-CH2 3.32Å; S217-W319 WeakPolarHBondContact O-CZ2 3.43Å
218E88.2Confident90.1Very high138 Ų13854.2 Ų54.265%0.64526%0.264SS*.THydrogen-bonded Turntrans-73.4-13.8178.775.7-72.5177.300114.3N216N216-E218 VanDerWaalsContact CA-OE2 3.27Å; N216-E218 WeakPolarHBondContact CA-OE2 3.46Å; N216-E218 PolarHBondContact O-N 3.39Å; N216-E218 VanDerWaalsContact O-N 3.15Å
219L87.1Confident89.7Confident55 Ų5555.3 Ų55.329%0.28827%0.272SS..SBendtrans-90.7149.5-176.9-59-171.7000112.1N216 S217 R223 V224 L227N216-L219 HydrophobicContact CB-CB 4.32Å; N216-L219 HydrophobicContact CB-CD1 3.84Å; N216-L219 HydrophobicContact CB-CG 4.03Å; N216-L219 WeakPolarHBondContact O-CB 3.3Å; N216-L219 PolarHBondContact O-N 3.07Å; S217-L219 VanDerWaalsContact C-N 3.27Å; S217-L219 PolarHBondContact O-N 3.1Å; L219-R223 HydrophobicContact CD1-CG 4.44Å; L219-V224 HydrophobicContact CB-CG2 4.05Å; L219-L227 HydrophobicContact CD1-CD1 3.39Å
220H82.4Confident89.4Confident116 Ų11663.7 Ų63.754%0.53731%0.308SS..  trans-59.3133.3173.4-170.6-79000111.2M222 R223 V224H220-M222 VanDerWaalsContact C-N 3.33Å; H220-M222 WeakPolarHBondContact CE1-CE 3.41Å; H220-M222 PolarHBondContact ND1-N 3.05Å; H220-M222 PolarHBondContact O-N 3.28Å; H220-M222 VanDerWaalsContact O-N 3.15Å; H220-R223 WeakPolarHBondContact O-CA 3.41Å; H220-R223 VanDerWaalsContact O-CB 3.24Å; H220-R223 WeakPolarHBondContact O-CB 3.46Å; H220-R223 PolarHBondContact O-N 3.27Å; H220-V224 PolarHBondContact O-N 3.1Å
221P79.4Confident89.2Confident21 Ų2166.8 Ų66.814%0.13632%0.324CS..Hα-helixtrans-48.4-45.7-177.1-33.637.1000115P180 F181 R223 V224 L225 F321P180-P221 HydrophobicContact CG-CB 3.67Å; F181-P221 HydrophobicContact CE2-CG 4.34Å; F181-P221 HydrophobicContact CZ-CG 4.09Å; P221-R223 PolarHBondContact O-N 2.58Å; P221-V224 WeakPolarHBondContact O-CB 3.45Å; P221-V224 PolarHBondContact O-N 2.91Å; P221-V224 VanDerWaalsContact O-N 3.09Å; P221-L225 PolarHBondContact O-N 2.79Å; P221-F321 HydrophobicContact CG-CE2 4.28Å; P221-F321 HydrophobicContact CG-CZ 4.15Å
222M77.3Confident89.1Confident106 Ų10666.7 Ų66.752%0.52234%0.335SS..Hα-helixtrans-58-33176-68.6-168.6-70.500113.6H220 V224 F226H220-M222 VanDerWaalsContact C-N 3.33Å; H220-M222 WeakPolarHBondContact CE1-CE 3.41Å; H220-M222 PolarHBondContact ND1-N 3.05Å; H220-M222 PolarHBondContact O-N 3.28Å; H220-M222 VanDerWaalsContact O-N 3.15Å; M222-V224 VanDerWaalsContact C-N 3.35Å; M222-F226 WeakPolarHBondContact O-CD2 3.39Å
223R85.2Confident89.2Confident140 Ų14067.5 Ų67.553%0.52834%0.335SS..Hα-helixtrans-68.6-39.1178.1179.856176.7176.8-2110.9L219 H220 P221 L225 F226 L227L219-R223 HydrophobicContact CD1-CG 4.44Å; H220-R223 WeakPolarHBondContact O-CA 3.41Å; H220-R223 VanDerWaalsContact O-CB 3.24Å; H220-R223 WeakPolarHBondContact O-CB 3.46Å; H220-R223 PolarHBondContact O-N 3.27Å; P221-R223 PolarHBondContact O-N 2.58Å; R223-L225 VanDerWaalsContact C-N 3.25Å; R223-L225 PolarHBondContact O-N 2.88Å; R223-F226 PolarHBondContact O-N 2.9Å; R223-F226 VanDerWaalsContact O-N 3.07Å; R223-L227 HydrophobicContact CG-CD1 3.93Å; R223-L227 HydrophobicContact CG-CG 4.28Å; R223-L227 WeakPolarHBondContact O-CG 3.14Å; R223-L227 PolarHBondContact O-N 3.45Å
224V86.8Confident89.4Confident0 Ų064.8 Ų64.80%033%0.326CS..Hα-helixtrans-61.6-36.1-178.5177.50000110.9F181 N216 L219 H220 P221 M222 F226 L227 I228F181-V224 HydrophobicContact CD1-CB 4.38Å; F181-V224 HydrophobicContact CD1-CG1 4Å; F181-V224 HydrophobicContact CD1-CG2 3.69Å; F181-V224 HydrophobicContact CE1-CB 4.4Å; F181-V224 HydrophobicContact CE1-CG2 3.41Å; F181-V224 VanDerWaalsContact CE1-CG2 3.41Å; F181-V224 HydrophobicContact CZ-CG2 4.33Å; N216-V224 HydrophobicContact CB-CG2 4.3Å; L219-V224 HydrophobicContact CB-CG2 4.05Å; H220-V224 PolarHBondContact O-N 3.1Å; P221-V224 WeakPolarHBondContact O-CB 3.45Å; P221-V224 PolarHBondContact O-N 2.91Å; P221-V224 VanDerWaalsContact O-N 3.09Å; M222-V224 VanDerWaalsContact C-N 3.35Å; V224-F226 PolarHBondContact O-N 3.35Å; V224-L227 PolarHBondContact O-N 3.07Å; V224-I228 HydrophobicContact CG1-CD1 3.41Å; V224-I228 VanDerWaalsContact CG1-CD1 3.41Å; V224-I228 HydrophobicContact CG1-CG1 3.83Å; V224-I228 PolarHBondContact O-N 3.48Å
225L83.8Confident89.5Confident42 Ų4268.4 Ų68.422%0.2235%0.348CS..Hα-helixtrans-56.3-32174.3-57.6-171.7000113.7F176 P180 I188 P221 R223 P229F176-L225 HydrophobicContact CE1-CD1 4.11Å; F176-L225 HydrophobicContact CE1-CD2 3.59Å; F176-L225 HydrophobicContact CE1-CG 4.49Å; F176-L225 HydrophobicContact CE2-CD1 4.32Å; F176-L225 HydrophobicContact CE2-CD2 3.99Å; F176-L225 HydrophobicContact CZ-CD1 3.95Å; F176-L225 HydrophobicContact CZ-CD2 3.11Å; F176-L225 HydrophobicContact CZ-CG 4.15Å; P180-L225 HydrophobicContact CB-CD2 3.51Å; P180-L225 HydrophobicContact CB-CG 4.48Å; I188-L225 HydrophobicContact CD1-CD2 4.45Å; I188-L225 HydrophobicContact CG1-CD2 4.43Å; I188-L225 HydrophobicContact CG2-CB 4.37Å; I188-L225 HydrophobicContact CG2-CD2 4.44Å; I188-L225 WeakPolarHBondContact CG2-O 3.45Å; P221-L225 PolarHBondContact O-N 2.79Å; R223-L225 VanDerWaalsContact C-N 3.25Å; R223-L225 PolarHBondContact O-N 2.88Å; L225-P229 WeakPolarHBondContact O-CD 3.5Å; L225-P229 WeakPolarHBondContact O-CG 3.36Å
226F85.9Confident89.6Confident145 Ų14567.5 Ų67.564%0.63634%0.341SS*.Hα-helixtrans-85.6-31.3175.7-65.1-78.2000112.7M222 R223 V224 K230M222-F226 WeakPolarHBondContact O-CD2 3.39Å; R223-F226 PolarHBondContact O-N 2.9Å; R223-F226 VanDerWaalsContact O-N 3.07Å; V224-F226 PolarHBondContact O-N 3.35Å; F226-K230 VanDerWaalsContact O-CB 3.3Å; F226-K230 WeakPolarHBondContact O-CB 3.38Å
227L90Very high89.7Confident19 Ų1971.4 Ų71.410%0.09936%0.358CS..Hα-helixtrans-77.8-44.7-174.6-66.9180000112.3L219 R223 V224 K230 N231L219-L227 HydrophobicContact CD1-CD1 3.39Å; R223-L227 HydrophobicContact CG-CD1 3.93Å; R223-L227 HydrophobicContact CG-CG 4.28Å; R223-L227 WeakPolarHBondContact O-CG 3.14Å; R223-L227 PolarHBondContact O-N 3.45Å; V224-L227 PolarHBondContact O-N 3.07Å; L227-K230 PolarHBondContact O-N 2.96Å; L227-N231 WeakPolarHBondContact O-CB 3.47Å; L227-N231 PolarHBondContact O-N 3.27Å
228I91.2Very high89.9Confident20 Ų2072.8 Ų72.810%0.10337%0.374CS..Hα-helixtrans-56.6-48-177.3-69.9172.4000111.5P180 P185 I188 W200 V224 K230 K254P180-I228 WeakPolarHBondContact O-CD1 3.46Å; P185-I228 HydrophobicContact CB-CG2 4.31Å; P185-I228 HydrophobicContact CG-CG2 3.86Å; I188-I228 HydrophobicContact CD1-CB 3.68Å; I188-I228 HydrophobicContact CD1-CD1 3.79Å; I188-I228 HydrophobicContact CD1-CG1 4.33Å; I188-I228 HydrophobicContact CD1-CG2 3.63Å; W200-I228 HydrophobicContact CZ2-CG2 4.05Å; V224-I228 HydrophobicContact CG1-CD1 3.41Å; V224-I228 VanDerWaalsContact CG1-CD1 3.41Å; V224-I228 HydrophobicContact CG1-CG1 3.83Å; V224-I228 PolarHBondContact O-N 3.48Å; I228-K230 VanDerWaalsContact C-N 3.31Å; I228-K230 PolarHBondContact O-N 3.05Å; I228-K254 PolarHBondContact O-NZ 3.46Å
229P90.1Very high90.3Very high28 Ų2872.6 Ų72.618%0.18239%0.385CS..Hα-helixtrans-64.4-28.7174.9-2940.1000115.1I188 K189 L225 K254I188-P229 HydrophobicContact CB-CG 4.24Å; I188-P229 HydrophobicContact CG2-CG 3.8Å; K189-P229 HydrophobicContact CG-CB 4.49Å; K189-P229 HydrophobicContact CG-CG 4.49Å; L225-P229 WeakPolarHBondContact O-CD 3.5Å; L225-P229 WeakPolarHBondContact O-CG 3.36Å; P229-K254 PolarHBondContact O-NZ 3.32Å
230K91.7Very high90.8Very high175 Ų17572.6 Ų72.676%0.76138%0.381SS*.Hα-helixtrans-96.6-45.3-168.8-173.7177.5178.7178.70114.3F226 L227 I228F226-K230 VanDerWaalsContact O-CB 3.3Å; F226-K230 WeakPolarHBondContact O-CB 3.38Å; L227-K230 PolarHBondContact O-N 2.96Å; I228-K230 VanDerWaalsContact C-N 3.31Å; I228-K230 PolarHBondContact O-N 3.05Å
231N93.9Very high91.6Very high69 Ų6968.5 Ų68.537%0.36937%0.366SS..SBendtrans-78.3158.2-173.9-73.74.7000111.8L227 K254L227-N231 WeakPolarHBondContact O-CB 3.47Å; L227-N231 PolarHBondContact O-N 3.27Å; N231-K254 WeakPolarHBondContact O-CE 3.49Å; N231-K254 PolarHBondContact O-NZ 3.05Å
232P96.3Very high92.5Very high110 Ų11074.6 Ų74.671%0.71439%0.39SS*.PPolyproline II helixtrans-55153.6168.125.9-35000111
233P97Very high93.5Very high45 Ų4570.4 Ų70.429%0.29237%0.371SS..PPolyproline II helixtrans-55.3144.8176.1-21.731.8000111.8W200 L252 K254W200-P233 HydrophobicContact CH2-CB 4.22Å; W200-P233 HydrophobicContact CZ3-CB 4.43Å; P233-L252 HydrophobicContact CB-CB 4.11Å; P233-L252 WeakPolarHBondContact CB-O 3.46Å; P233-L252 WeakPolarHBondContact CG-O 3.49Å; P233-K254 HydrophobicContact CG-CG 3.82Å
234P97.1Very high94.1Very high35 Ų3563.8 Ų63.823%0.22735%0.346CS..PPolyproline II helixtrans-58151.2173.1-2232.8000111.8I204 I207 P215 L252I204-P234 HydrophobicContact CD1-CG 4.2Å; I207-P234 HydrophobicContact CD1-CB 4.01Å; P215-P234 HydrophobicContact CB-CB 3.99Å; P215-P234 HydrophobicContact CB-CG 3.99Å; P215-P234 HydrophobicContact CG-CB 3.65Å; P215-P234 HydrophobicContact CG-CG 3.91Å; P234-L252 HydrophobicContact CB-CD1 4.13Å; P234-L252 WeakPolarHBondContact O-CD1 3.31Å
235T97.6Very high94.7Very high90 Ų9067.4 Ų67.455%0.55236%0.362SS*.  trans-125.2154.7174.265.70000110.5E237T235-E237 PolarHBondContact O-N 2.73Å
236L97.7Very high95.4Very high7 Ų768.2 Ų68.24%0.03736%0.364CS..  trans-82.595.9176.1-178.364.2000110.4I207 A210 K211 Y240 F244 K245 V248I207-L236 HydrophobicContact CG1-CD1 4.44Å; A210-L236 HydrophobicContact CB-CD1 3.86Å; K211-L236 HydrophobicContact CD-CD1 4.39Å; K211-L236 HydrophobicContact CG-CD1 4.32Å; L236-Y240 HydrophobicContact CD1-CD2 3.71Å; L236-Y240 HydrophobicContact CD1-CE2 3.64Å; L236-Y240 HydrophobicContact CD1-CG 4.38Å; L236-Y240 HydrophobicContact CD2-CD1 4.39Å; L236-Y240 HydrophobicContact CD2-CD2 3.86Å; L236-Y240 HydrophobicContact CD2-CG 3.77Å; L236-Y240 HydrophobicContact CG-CD2 3.54Å; L236-Y240 HydrophobicContact CG-CE2 4.04Å; L236-Y240 HydrophobicContact CG-CG 4.01Å; L236-F244 HydrophobicContact CD2-CB 4.39Å; L236-F244 HydrophobicContact CD2-CD1 3.41Å; L236-F244 VanDerWaalsContact CD2-CD1 3.41Å; L236-F244 HydrophobicContact CD2-CD2 3.99Å; L236-F244 HydrophobicContact CD2-CE1 3.49Å; L236-F244 VanDerWaalsContact CD2-CE1 3.49Å; L236-F244 HydrophobicContact CD2-CE2 4.06Å; L236-F244 HydrophobicContact CD2-CG 3.66Å; L236-F244 HydrophobicContact CD2-CZ 3.81Å; L236-K245 HydrophobicContact CB-CG 4.35Å; L236-K245 HydrophobicContact CD2-CG 4.42Å; L236-K245 VanDerWaalsContact O-CE 3.31Å; L236-K245 WeakPolarHBondContact O-CE 3.49Å; L236-V248 HydrophobicContact CB-CB 4.25Å; L236-V248 HydrophobicContact CB-CG1 4.24Å; L236-V248 HydrophobicContact CB-CG2 4.12Å; L236-V248 HydrophobicContact CD2-CG2 4.14Å
237E94.7Very high96Very high128 Ų12861.3 Ų61.360%0.59833%0.334SS*.  trans-83.1153.5175.5-62.5-177.9171.200112.4T235 Y240T235-E237 PolarHBondContact O-N 2.73Å; E237-Y240 WeakPolarHBondContact O-CD2 3.4Å; E237-Y240 WeakPolarHBondContact O-CE2 3.36Å
238G94.5Very high96.4Very high40 Ų4060.4 Ų60.441%0.41233%0.329SS..SBendtrans110.9-172.9178.400000114.2Y240 K245G238-Y240 PolarHBondContact O-N 3.34Å; G238-K245 VanDerWaalsContact O-CE 3.31Å; G238-K245 WeakPolarHBondContact O-CE 3.41Å; G238-K245 PolarHBondContact O-NZ 3.42Å
239P96.1Very high96.8Very high134 Ų13466 Ų6687%0.8736%0.355SS*.SBendtrans-80.344.4-173.235.5-37.2000113.2
240Y98.1Very high97.2Very high54 Ų5466.1 Ų66.121%0.21236%0.359CS..  trans-90.2153177.1-59.1-73.5000112.2E115 A210 L236 E237 G238 F244 K245E115-Y240 HydrophobicContact CG-CD1 4.42Å; E115-Y240 VanDerWaalsContact OE1-CA 3.27Å; E115-Y240 WeakPolarHBondContact OE1-CA 3.46Å; A210-Y240 HydrophobicContact CB-CE1 3.86Å; A210-Y240 HydrophobicContact CB-CE2 4.49Å; A210-Y240 PolarHBondContact O-OH 3.43Å; L236-Y240 HydrophobicContact CD1-CD2 3.71Å; L236-Y240 HydrophobicContact CD1-CE2 3.64Å; L236-Y240 HydrophobicContact CD1-CG 4.38Å; L236-Y240 HydrophobicContact CD2-CD1 4.39Å; L236-Y240 HydrophobicContact CD2-CD2 3.86Å; L236-Y240 HydrophobicContact CD2-CG 3.77Å; L236-Y240 HydrophobicContact CG-CD2 3.54Å; L236-Y240 HydrophobicContact CG-CE2 4.04Å; L236-Y240 HydrophobicContact CG-CG 4.01Å; E237-Y240 WeakPolarHBondContact O-CD2 3.4Å; E237-Y240 WeakPolarHBondContact O-CE2 3.36Å; G238-Y240 PolarHBondContact O-N 3.34Å; Y240-F244 AromaticContact CD1-CD1 3.88Å; Y240-F244 HydrophobicContact CD1-CD1 3.88Å; Y240-F244 AromaticContact CD1-CE1 3.98Å; Y240-F244 HydrophobicContact CD1-CE1 3.98Å; Y240-F244 HydrophobicContact CE1-CE1 4.4Å; Y240-F244 HydrophobicContact CG-CD1 4.18Å; Y240-F244 HydrophobicContact CG-CE1 4.5Å; Y240-K245 WeakPolarHBondContact O-CE 3.48Å
241S98.4Very high97.5Very high31 Ų3157.8 Ų57.822%0.21732%0.322CS..  trans-60.6147.4178.780.20000111.4E115 F244 K245E115-S241 PolarHBondContact OE1-N 3.43Å; E115-S241 WeakPolarHBondContact OE2-CB 3.42Å; E115-S241 PolarHBondContact OE2-OG 2.96Å; S241-F244 PolarHBondContact O-N 3.46Å; S241-F244 VanDerWaalsContact O-N 3.07Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.45Å; S241-K245 PolarHBondContact O-N 3.23Å; S241-K245 VanDerWaalsContact O-N 3.13Å
242K98.3Very high97.7Very high148 Ų14854.7 Ų54.764%0.64331%0.306SS*.Hα-helixtrans-55.4-45.4176.4-169.6-172.3-172.1-152.10112.2F244 K245 E246K242-F244 VanDerWaalsContact C-N 3.26Å; K242-F244 PolarHBondContact O-N 3.27Å; K242-K245 PolarHBondContact O-N 3.29Å; K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 HydrophobicContact CG-CG 4.33Å; K242-E246 IonicContact NZ-OE1 3.25Å; K242-E246 PolarHBondContact NZ-OE1 3.16Å; K242-E246 WeakPolarHBondContact O-CB 3.25Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 3.09Å
243P98.6Very high97.8Very high19 Ų1952.2 Ų52.212%0.12329%0.287CS..Hα-helixtrans-58.4-35.4175.7-25.636.1000113.6F247 H268 K269 F270P243-F247 WeakPolarHBondContact O-CB 3.45Å; P243-F247 PolarHBondContact O-N 3.21Å; P243-H268 PolarHBondContact O-CE1 2.78Å; P243-H268 VanDerWaalsContact O-CE1 3.27Å; P243-K269 HydrophobicContact CB-CB 4.25Å; P243-F270 HydrophobicContact CB-CB 4.1Å
244F98.8Very high97.7Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-69.3-44179.1-168.9-166.1000111.7E115 I118 L122 A206 A210 L236 Y240 S241 K242 E246 F247 V248 F270E115-F244 HydrophobicContact CG-CD1 3.78Å; E115-F244 HydrophobicContact CG-CE1 4.26Å; I118-F244 HydrophobicContact CD1-CE1 3.98Å; I118-F244 HydrophobicContact CD1-CZ 4.2Å; I118-F244 HydrophobicContact CG2-CE1 4.36Å; I118-F244 HydrophobicContact CG2-CE2 4.15Å; I118-F244 HydrophobicContact CG2-CZ 3.66Å; L122-F244 HydrophobicContact CD1-CE2 4.35Å; A206-F244 HydrophobicContact CB-CE2 4.18Å; A210-F244 HydrophobicContact CB-CE1 3.78Å; A210-F244 HydrophobicContact CB-CZ 3.93Å; L236-F244 HydrophobicContact CD2-CB 4.39Å; L236-F244 HydrophobicContact CD2-CD1 3.41Å; L236-F244 VanDerWaalsContact CD2-CD1 3.41Å; L236-F244 HydrophobicContact CD2-CD2 3.99Å; L236-F244 HydrophobicContact CD2-CE1 3.49Å; L236-F244 VanDerWaalsContact CD2-CE1 3.49Å; L236-F244 HydrophobicContact CD2-CE2 4.06Å; L236-F244 HydrophobicContact CD2-CG 3.66Å; L236-F244 HydrophobicContact CD2-CZ 3.81Å; Y240-F244 AromaticContact CD1-CD1 3.88Å; Y240-F244 HydrophobicContact CD1-CD1 3.88Å; Y240-F244 AromaticContact CD1-CE1 3.98Å; Y240-F244 HydrophobicContact CD1-CE1 3.98Å; Y240-F244 HydrophobicContact CE1-CE1 4.4Å; Y240-F244 HydrophobicContact CG-CD1 4.18Å; Y240-F244 HydrophobicContact CG-CE1 4.5Å; S241-F244 PolarHBondContact O-N 3.46Å; S241-F244 VanDerWaalsContact O-N 3.07Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.45Å; K242-F244 VanDerWaalsContact C-N 3.26Å; K242-F244 PolarHBondContact O-N 3.27Å; F244-E246 VanDerWaalsContact C-N 3.34Å; F244-E246 PolarHBondContact O-N 3.21Å; F244-F247 WeakPolarHBondContact O-CB 3.46Å; F244-F247 PolarHBondContact O-N 3.46Å; F244-F247 VanDerWaalsContact O-N 3.16Å; F244-V248 HydrophobicContact CD2-CG2 4.25Å; F244-V248 HydrophobicContact CE2-CG2 4.04Å; F244-V248 PolarHBondContact O-N 2.96Å; F244-V248 VanDerWaalsContact O-N 3.09Å; F244-F270 HydrophobicContact CB-CD2 3.59Å; F244-F270 HydrophobicContact CB-CE1 4.47Å; F244-F270 HydrophobicContact CB-CE2 3.46Å; F244-F270 VanDerWaalsContact CB-CE2 3.46Å; F244-F270 HydrophobicContact CB-CG 4.19Å; F244-F270 HydrophobicContact CB-CZ 3.93Å; F244-F270 HydrophobicContact CD1-CE2 4.08Å; F244-F270 AromaticContact CD1-CZ 3.88Å; F244-F270 HydrophobicContact CD1-CZ 3.88Å; F244-F270 AromaticContact CD2-CD1 3.73Å; F244-F270 HydrophobicContact CD2-CD1 3.73Å; F244-F270 HydrophobicContact CD2-CD2 4.19Å; F244-F270 AromaticContact CD2-CE1 3.27Å; F244-F270 HydrophobicContact CD2-CE1 3.27Å; F244-F270 AromaticContact CD2-CE2 3.81Å; F244-F270 HydrophobicContact CD2-CE2 3.81Å; F244-F270 HydrophobicContact CD2-CG 4.17Å; F244-F270 AromaticContact CD2-CZ 3.32Å; F244-F270 HydrophobicContact CD2-CZ 3.32Å; F244-F270 HydrophobicContact CE1-CZ 4.23Å; F244-F270 HydrophobicContact CE2-CD1 4.32Å; F244-F270 AromaticContact CE2-CE1 3.55Å; F244-F270 HydrophobicContact CE2-CE1 3.55Å; F244-F270 AromaticContact CE2-CZ 3.72Å; F244-F270 HydrophobicContact CE2-CZ 3.72Å; F244-F270 HydrophobicContact CG-CD1 4.39Å; F244-F270 HydrophobicContact CG-CD2 4.04Å; F244-F270 AromaticContact CG-CE1 3.89Å; F244-F270 HydrophobicContact CG-CE1 3.89Å; F244-F270 AromaticContact CG-CE2 3.52Å; F244-F270 HydrophobicContact CG-CE2 3.52Å; F244-F270 HydrophobicContact CG-CG 4.46Å; F244-F270 AromaticContact CG-CZ 3.43Å; F244-F270 HydrophobicContact CG-CZ 3.43Å; F244-F270 VanDerWaalsContact CG-CZ 3.43Å; F244-F270 HydrophobicContact CZ-CE1 4.36Å; F244-F270 HydrophobicContact CZ-CZ 4.17Å
245K98.7Very high97.6Very high77 Ų7753.1 Ų53.134%0.33528%0.284SS..Hα-helixtrans-60-44.3174.4-64.2-178.1179.3178.20112L236 G238 Y240 S241 K242 F247 V248 E249L236-K245 HydrophobicContact CB-CG 4.35Å; L236-K245 HydrophobicContact CD2-CG 4.42Å; L236-K245 VanDerWaalsContact O-CE 3.31Å; L236-K245 WeakPolarHBondContact O-CE 3.49Å; G238-K245 VanDerWaalsContact O-CE 3.31Å; G238-K245 WeakPolarHBondContact O-CE 3.41Å; G238-K245 PolarHBondContact O-NZ 3.42Å; Y240-K245 WeakPolarHBondContact O-CE 3.48Å; S241-K245 PolarHBondContact O-N 3.23Å; S241-K245 VanDerWaalsContact O-N 3.13Å; K242-K245 PolarHBondContact O-N 3.29Å; K245-F247 VanDerWaalsContact C-N 3.31Å; K245-F247 PolarHBondContact O-N 3.42Å; K245-V248 PolarHBondContact O-N 3.07Å; K245-E249 WeakPolarHBondContact O-CB 3.27Å; K245-E249 PolarHBondContact O-N 2.99Å
246E98.6Very high97.4Very high58 Ų5850.4 Ų50.427%0.27127%0.268SS..Hα-helixtrans-62.2-35.8175.6-72.2173.5174.200111.9K242 F244 A250K242-E246 WeakPolarHBondContact CE-OE1 3.33Å; K242-E246 HydrophobicContact CG-CG 4.33Å; K242-E246 IonicContact NZ-OE1 3.25Å; K242-E246 PolarHBondContact NZ-OE1 3.16Å; K242-E246 WeakPolarHBondContact O-CB 3.25Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 3.09Å; F244-E246 VanDerWaalsContact C-N 3.34Å; F244-E246 PolarHBondContact O-N 3.21Å; E246-A250 WeakPolarHBondContact O-CB 3.39Å; E246-A250 PolarHBondContact O-N 2.96Å
247F98.9Very high97.3Very high0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-63.6-47.6175.4-180-88.8000111.4L122 L126 L202 A206 P243 F244 K245 A250 C251 L265 H268 F270 I271L122-F247 HydrophobicContact CD1-CD1 4.44Å; L122-F247 HydrophobicContact CD1-CE1 3.9Å; L122-F247 HydrophobicContact CD1-CZ 4.4Å; L126-F247 HydrophobicContact CD1-CE2 4.08Å; L126-F247 HydrophobicContact CD1-CZ 4.09Å; L202-F247 HydrophobicContact CD2-CZ 4.25Å; A206-F247 HydrophobicContact CB-CD1 4.47Å; A206-F247 HydrophobicContact CB-CE1 4.28Å; P243-F247 WeakPolarHBondContact O-CB 3.45Å; P243-F247 PolarHBondContact O-N 3.21Å; F244-F247 WeakPolarHBondContact O-CB 3.46Å; F244-F247 PolarHBondContact O-N 3.46Å; F244-F247 VanDerWaalsContact O-N 3.16Å; K245-F247 VanDerWaalsContact C-N 3.31Å; K245-F247 PolarHBondContact O-N 3.42Å; F247-A250 PolarHBondContact O-N 3.29Å; F247-C251 PolarHBondContact O-N 3.44Å; F247-C251 PolarHBondContact O-SG 3.18Å; F247-C251 VanDerWaalsContact O-SG 3.41Å; F247-L265 HydrophobicContact CD2-CD2 4.01Å; F247-L265 HydrophobicContact CE2-CB 4.12Å; F247-L265 HydrophobicContact CE2-CD2 3.77Å; F247-L265 HydrophobicContact CE2-CG 4.38Å; F247-L265 HydrophobicContact CZ-CD2 4.42Å; F247-H268 HydrophobicContact CD2-CB 3.95Å; F247-H268 AromaticContact CD2-CG 3.79Å; F247-H268 AromaticContact CD2-ND1 3.62Å; F247-H268 HydrophobicContact CE2-CB 4.44Å; F247-H268 PolarHBondContact N-CE1 3.21Å; F247-F270 HydrophobicContact CB-CB 4.01Å; F247-F270 HydrophobicContact CB-CD1 4.15Å; F247-F270 HydrophobicContact CB-CG 4.35Å; F247-F270 HydrophobicContact CD1-CD1 4.39Å; F247-F270 HydrophobicContact CD2-CB 4.43Å; F247-F270 HydrophobicContact CD2-CD1 4.34Å; F247-F270 HydrophobicContact CG-CB 4.44Å; F247-F270 HydrophobicContact CG-CD1 4.04Å; F247-I271 HydrophobicContact CD2-CG1 4.24Å; F247-I271 HydrophobicContact CE2-CD1 3.94Å; F247-I271 HydrophobicContact CE2-CG1 3.79Å; F247-I271 HydrophobicContact CZ-CD1 4.32Å
248V98.8Very high97.4Very high0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-62.8-45178.2172.50000110.9A206 I207 L236 F244 K245 A250 C251 L252A206-V248 HydrophobicContact CB-CG2 3.98Å; I207-V248 HydrophobicContact CD1-CG1 3.77Å; I207-V248 HydrophobicContact CG1-CG1 3.74Å; I207-V248 HydrophobicContact CG1-CG2 4.38Å; L236-V248 HydrophobicContact CB-CB 4.25Å; L236-V248 HydrophobicContact CB-CG1 4.24Å; L236-V248 HydrophobicContact CB-CG2 4.12Å; L236-V248 HydrophobicContact CD2-CG2 4.14Å; F244-V248 HydrophobicContact CD2-CG2 4.25Å; F244-V248 HydrophobicContact CE2-CG2 4.04Å; F244-V248 PolarHBondContact O-N 2.96Å; F244-V248 VanDerWaalsContact O-N 3.09Å; K245-V248 PolarHBondContact O-N 3.07Å; V248-A250 VanDerWaalsContact C-N 3.33Å; V248-A250 PolarHBondContact O-N 3.21Å; V248-C251 PolarHBondContact O-N 3.41Å; V248-L252 HydrophobicContact CG1-CD1 3.64Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CG 3.4Å; V248-L252 PolarHBondContact O-N 3.04Å
249E98.6Very high97.6Very high137 Ų13758 Ų5864%0.6428%0.282SS*.Hα-helixtrans-60.5-40.9177.7-175179-174.700112.3K245 C251 L252K245-E249 WeakPolarHBondContact O-CB 3.27Å; K245-E249 PolarHBondContact O-N 2.99Å; E249-C251 VanDerWaalsContact C-N 3.33Å; E249-C251 PolarHBondContact O-N 3.42Å; E249-L252 PolarHBondContact O-N 3.37Å
250A98.5Very high97.7Very high31 Ų3152.9 Ų52.926%0.25625%0.249SC..Hα-helixtrans-62.6-39.717700000112.3E246 F247 V248 P260E246-A250 WeakPolarHBondContact O-CB 3.39Å; E246-A250 PolarHBondContact O-N 2.96Å; F247-A250 PolarHBondContact O-N 3.29Å; V248-A250 VanDerWaalsContact C-N 3.33Å; V248-A250 PolarHBondContact O-N 3.21Å; A250-P260 HydrophobicContact CB-CG 4.23Å; A250-P260 WeakPolarHBondContact O-CD 3.35Å
251C98.6Very high97.7Very high0 Ų052.3 Ų52.30%025%0.251CS..Hα-helixtrans-70.1-42.2176.4-67.30000112.3I199 F247 V248 E249 N253 R259I199-C251 HydrophobicContact CG2-CB 4.31Å; I199-C251 WeakPolarHBondContact O-CB 3.42Å; F247-C251 PolarHBondContact O-N 3.44Å; F247-C251 PolarHBondContact O-SG 3.18Å; F247-C251 VanDerWaalsContact O-SG 3.41Å; V248-C251 PolarHBondContact O-N 3.41Å; E249-C251 VanDerWaalsContact C-N 3.33Å; E249-C251 PolarHBondContact O-N 3.42Å; C251-N253 VanDerWaalsContact C-N 3.28Å; C251-N253 PolarHBondContact O-N 3.28Å; C251-N253 VanDerWaalsContact O-N 3.1Å; C251-R259 VanDerWaalsContact O-CD 3.31Å; C251-R259 WeakPolarHBondContact O-CD 3.45Å; C251-R259 WeakPolarHBondContact O-CG 3.39Å
252L98.4Very high97.7Very high4 Ų450.9 Ų50.92%0.02124%0.242CC..  trans-90.252-171.6-60.1-176.2000112.7W200 I204 I207 P233 P234 V248 E249W200-L252 HydrophobicContact CD2-CD2 3.81Å; W200-L252 HydrophobicContact CE3-CD2 4.03Å; W200-L252 HydrophobicContact CG-CD2 4.17Å; W200-L252 HydrophobicContact CZ2-CD2 4.4Å; W200-L252 HydrophobicContact CZ3-CB 4.33Å; W200-L252 HydrophobicContact CZ3-CD2 4.42Å; W200-L252 WeakPolarHBondContact O-CD2 3.44Å; I204-L252 HydrophobicContact CD1-CD1 4.03Å; I204-L252 HydrophobicContact CD1-CD2 3.72Å; I204-L252 HydrophobicContact CG1-CD2 3.99Å; I207-L252 HydrophobicContact CD1-CD1 3.71Å; P233-L252 HydrophobicContact CB-CB 4.11Å; P233-L252 WeakPolarHBondContact CB-O 3.46Å; P233-L252 WeakPolarHBondContact CG-O 3.49Å; P234-L252 HydrophobicContact CB-CD1 4.13Å; P234-L252 WeakPolarHBondContact O-CD1 3.31Å; V248-L252 HydrophobicContact CG1-CD1 3.64Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CG 3.4Å; V248-L252 PolarHBondContact O-N 3.04Å; E249-L252 PolarHBondContact O-N 3.37Å
253N97.6Very high97.7Very high58 Ų5849.7 Ų49.731%0.3124%0.236SC..  trans-92133.8168.9-160-56.2000110.7C251 D255 F258 R259C251-N253 VanDerWaalsContact C-N 3.28Å; C251-N253 PolarHBondContact O-N 3.28Å; C251-N253 VanDerWaalsContact O-N 3.1Å; N253-D255 VanDerWaalsContact C-N 3.27Å; N253-D255 PolarHBondContact O-N 3.43Å; N253-D255 PolarHBondContact OD1-N 2.83Å; N253-D255 PolarHBondContact OD1-O 3.32Å; N253-F258 HydrophobicContact CB-CB 4.31Å; N253-F258 WeakPolarHBondContact ND2-CB 3.44Å; N253-R259 HydrophobicContact CB-CG 3.99Å; N253-R259 VanDerWaalsContact O-CZ 3.31Å; N253-R259 PolarHBondContact O-NE 3.49Å; N253-R259 PolarHBondContact O-NH2 2.86Å
254K94.7Very high97.7Very high61 Ų6154 Ų5427%0.26526%0.255SS..SBendtrans-65-32.4178-69.6-142.8-177.4-150.30113.3I228 P229 N231 P233 P256 R259I228-K254 PolarHBondContact O-NZ 3.46Å; P229-K254 PolarHBondContact O-NZ 3.32Å; N231-K254 WeakPolarHBondContact O-CE 3.49Å; N231-K254 PolarHBondContact O-NZ 3.05Å; P233-K254 HydrophobicContact CG-CG 3.82Å; K254-P256 WeakPolarHBondContact O-CD 3.5Å; K254-R259 PolarHBondContact O-NH2 2.83Å
255D94.9Very high97.7Very high39 Ų3954.1 Ų54.121%0.20926%0.256CS..SBendtrans-87.8114.5176-172.6-25.6000108.9N253 R257 F258N253-D255 VanDerWaalsContact C-N 3.27Å; N253-D255 PolarHBondContact O-N 3.43Å; N253-D255 PolarHBondContact OD1-N 2.83Å; N253-D255 PolarHBondContact OD1-O 3.32Å; D255-R257 PolarHBondContact O-N 3.23Å; D255-R257 VanDerWaalsContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CG 3.37Å; D255-R257 IonicContact OD1-CZ 3.32Å; D255-R257 PolarHBondContact OD1-N 3.39Å; D255-R257 IonicContact OD1-NE 2.66Å; D255-R257 PolarHBondContact OD1-NE 3.37Å; D255-R257 IonicContact OD1-NH2 3.42Å; D255-R257 IonicContact OD2-CZ 3.66Å; D255-R257 IonicContact OD2-NE 2.72Å; D255-R257 PolarHBondContact OD2-NE 3.45Å; D255-R257 IonicContact OD2-NH2 3.63Å; D255-R257 PolarHBondContact OD2-NH2 2.94Å; D255-F258 HydrophobicContact CB-CD2 3.68Å; D255-F258 HydrophobicContact CB-CE2 4.14Å; D255-F258 PolarHBondContact O-N 3.1Å; D255-F258 VanDerWaalsContact O-N 3.11Å
256P94.5Very high97.7Very high32 Ų3252.2 Ų52.221%0.20825%0.249CC..G310 helixtrans-59.5-22.9-176.8-23.434.5000113.7E186 K196 K254 F258 R259E186-P256 HydrophobicContact CG-CG 4Å; K196-P256 HydrophobicContact CB-CB 3.89Å; K196-P256 HydrophobicContact CG-CB 4.4Å; K196-P256 PolarHBondContact NZ-O 3.46Å; K196-P256 VanDerWaalsContact NZ-O 3.12Å; K254-P256 WeakPolarHBondContact O-CD 3.5Å; P256-F258 VanDerWaalsContact C-N 3.3Å; P256-F258 PolarHBondContact O-N 3.23Å; P256-R259 PolarHBondContact O-N 3.12Å
257R94.9Very high97.7Very high192 Ų19256.9 Ų56.973%0.72527%0.268SS*.G310 helixtrans-68.5-30.4-179.8-61.2174.8-65.7176.41.5112.3D255D255-R257 PolarHBondContact O-N 3.23Å; D255-R257 VanDerWaalsContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CB 3.3Å; D255-R257 WeakPolarHBondContact OD1-CG 3.37Å; D255-R257 IonicContact OD1-CZ 3.32Å; D255-R257 PolarHBondContact OD1-N 3.39Å; D255-R257 IonicContact OD1-NE 2.66Å; D255-R257 PolarHBondContact OD1-NE 3.37Å; D255-R257 IonicContact OD1-NH2 3.42Å; D255-R257 IonicContact OD2-CZ 3.66Å; D255-R257 IonicContact OD2-NE 2.72Å; D255-R257 PolarHBondContact OD2-NE 3.45Å; D255-R257 IonicContact OD2-NH2 3.63Å; D255-R257 PolarHBondContact OD2-NH2 2.94Å
258F97.2Very high97.7Very high140 Ų14058.8 Ų58.861%0.61428%0.277SS*.G310 helixtrans-87.2-8.3178-63.4-52.5000113.3N253 D255 P256N253-F258 HydrophobicContact CB-CB 4.31Å; N253-F258 WeakPolarHBondContact ND2-CB 3.44Å; D255-F258 HydrophobicContact CB-CD2 3.68Å; D255-F258 HydrophobicContact CB-CE2 4.14Å; D255-F258 PolarHBondContact O-N 3.1Å; D255-F258 VanDerWaalsContact O-N 3.11Å; P256-F258 VanDerWaalsContact C-N 3.3Å; P256-F258 PolarHBondContact O-N 3.23Å
259R98.3Very high97.7Very high3 Ų364.1 Ų64.11%0.01130%0.3CS..SBendtrans-72.7129.2171.8-60.1-176.9-158.6142.110.7109.3E186 K196 I199 C251 N253 K254 P256E186-R259 IonicContact OE1-CZ 2.92Å; E186-R259 IonicContact OE1-NH1 3.93Å; E186-R259 PolarHBondContact OE1-NH1 3.39Å; E186-R259 IonicContact OE1-NH2 3.82Å; E186-R259 PolarHBondContact OE1-NH2 3.34Å; E186-R259 IonicContact OE2-CZ 3.64Å; E186-R259 IonicContact OE2-NH1 2.9Å; E186-R259 IonicContact OE2-NH2 3.36Å; E186-R259 PolarHBondContact OE2-NH2 3.01Å; K196-R259 HydrophobicContact CD-CB 4.39Å; K196-R259 WeakPolarHBondContact CE-O 3.32Å; K196-R259 PolarHBondContact NZ-O 3.07Å; K196-R259 PolarHBondContact O-NH1 2.93Å; I199-R259 HydrophobicContact CG2-CB 4.11Å; C251-R259 VanDerWaalsContact O-CD 3.31Å; C251-R259 WeakPolarHBondContact O-CD 3.45Å; C251-R259 WeakPolarHBondContact O-CG 3.39Å; N253-R259 HydrophobicContact CB-CG 3.99Å; N253-R259 VanDerWaalsContact O-CZ 3.31Å; N253-R259 PolarHBondContact O-NE 3.49Å; N253-R259 PolarHBondContact O-NH2 2.86Å; K254-R259 PolarHBondContact O-NH2 2.83Å; P256-R259 PolarHBondContact O-N 3.12Å
260P98.3Very high97.7Very high27 Ų2757.6 Ų57.618%0.17527%0.27CS..PPolyproline II helixtrans-64.4159172.728.8-34.5000110.8A250 E264 L265A250-P260 HydrophobicContact CB-CG 4.23Å; A250-P260 WeakPolarHBondContact O-CD 3.35Å; P260-E264 HydrophobicContact CB-CB 3.99Å; P260-L265 HydrophobicContact CB-CD2 4.27Å; P260-L265 HydrophobicContact CB-CG 4.05Å; P260-L265 HydrophobicContact CG-CD1 4.03Å; P260-L265 HydrophobicContact CG-CD2 3.44Å; P260-L265 VanDerWaalsContact CG-CD2 3.44Å; P260-L265 HydrophobicContact CG-CG 3.56Å
261T98.5Very high97.7Very high41 Ų4156.4 Ų56.425%0.25226%0.259SS..PPolyproline II helixtrans-74.7161.7169.961.30000111F195 K263 E264 L265F195-T261 HydrophobicContact CE2-CG2 4.26Å; T261-K263 PolarHBondContact O-N 2.87Å; T261-E264 WeakPolarHBondContact CB-OE2 3.27Å; T261-E264 PolarHBondContact N-OE2 3.04Å; T261-E264 PolarHBondContact O-N 2.95Å; T261-E264 VanDerWaalsContact O-N 3.07Å; T261-E264 VanDerWaalsContact OG1-CD 3.3Å; T261-E264 VanDerWaalsContact OG1-CG 3.29Å; T261-E264 WeakPolarHBondContact OG1-CG 3.35Å; T261-E264 PolarHBondContact OG1-N 3.45Å; T261-E264 PolarHBondContact OG1-OE2 3.37Å; T261-L265 PolarHBondContact O-N 2.74Å
262A98.4Very high97.6Very high2 Ų260.7 Ų60.72%0.01729%0.285CS..Hα-helixtrans-55.4-40.5174.200000112L126 L129 E130 I199 E264 L265 L266L126-A262 HydrophobicContact CD2-CB 3.97Å; L129-A262 HydrophobicContact CB-CB 3.88Å; E130-A262 HydrophobicContact CB-CB 4.15Å; I199-A262 HydrophobicContact CD1-CB 4.18Å; A262-E264 VanDerWaalsContact C-N 3.34Å; A262-E264 PolarHBondContact O-N 3Å; A262-L265 PolarHBondContact O-N 2.8Å; A262-L266 WeakPolarHBondContact O-CG 3.34Å; A262-L266 PolarHBondContact O-N 3.34Å
263K98.3Very high97.6Very high123 Ų12368.6 Ų68.654%0.53532%0.315SS..Hα-helixtrans-60.3-37.2175.8-175.5168.2-1691680113.9E130 T261E130-K263 HydrophobicContact CG-CB 4.33Å; E130-K263 WeakPolarHBondContact OE1-CB 3.34Å; E130-K263 VanDerWaalsContact OE1-CD 3.3Å; E130-K263 WeakPolarHBondContact OE1-CD 2.99Å; E130-K263 WeakPolarHBondContact OE1-CG 3.45Å; T261-K263 PolarHBondContact O-N 2.87Å
264E98.6Very high97.5Very high110 Ų11068.2 Ų68.251%0.51431%0.311SS..Hα-helixtrans-74.7-40.4176.2-72.4162.814400111.2P260 T261 A262 L266 K267P260-E264 HydrophobicContact CB-CB 3.99Å; T261-E264 WeakPolarHBondContact CB-OE2 3.27Å; T261-E264 PolarHBondContact N-OE2 3.04Å; T261-E264 PolarHBondContact O-N 2.95Å; T261-E264 VanDerWaalsContact O-N 3.07Å; T261-E264 VanDerWaalsContact OG1-CD 3.3Å; T261-E264 VanDerWaalsContact OG1-CG 3.29Å; T261-E264 WeakPolarHBondContact OG1-CG 3.35Å; T261-E264 PolarHBondContact OG1-N 3.45Å; T261-E264 PolarHBondContact OG1-OE2 3.37Å; A262-E264 VanDerWaalsContact C-N 3.34Å; A262-E264 PolarHBondContact O-N 3Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 3.38Å; E264-K267 WeakPolarHBondContact O-CB 3.49Å; E264-K267 PolarHBondContact O-N 3.5Å
265L98.8Very high97.6Very high2 Ų266.7 Ų66.71%0.0131%0.307CS..Hα-helixtrans-64.7-30177.4-75.5173000113.3L126 I199 L202 F247 P260 T261 A262 K267 H268L126-L265 HydrophobicContact CD1-CB 3.85Å; L126-L265 HydrophobicContact CD2-CB 3.54Å; L126-L265 HydrophobicContact CD2-CD1 3.85Å; L126-L265 HydrophobicContact CD2-CG 4.36Å; L126-L265 HydrophobicContact CG-CB 4.37Å; I199-L265 HydrophobicContact CD1-CD1 4.3Å; I199-L265 HydrophobicContact CG2-CD1 3.87Å; L202-L265 HydrophobicContact CD2-CD1 4.05Å; F247-L265 HydrophobicContact CD2-CD2 4.01Å; F247-L265 HydrophobicContact CE2-CB 4.12Å; F247-L265 HydrophobicContact CE2-CD2 3.77Å; F247-L265 HydrophobicContact CE2-CG 4.38Å; F247-L265 HydrophobicContact CZ-CD2 4.42Å; P260-L265 HydrophobicContact CB-CD2 4.27Å; P260-L265 HydrophobicContact CB-CG 4.05Å; P260-L265 HydrophobicContact CG-CD1 4.03Å; P260-L265 HydrophobicContact CG-CD2 3.44Å; P260-L265 VanDerWaalsContact CG-CD2 3.44Å; P260-L265 HydrophobicContact CG-CG 3.56Å; T261-L265 PolarHBondContact O-N 2.74Å; A262-L265 PolarHBondContact O-N 2.8Å; L265-K267 PolarHBondContact O-N 3.05Å; L265-K267 VanDerWaalsContact O-N 3.15Å; L265-H268 WeakPolarHBondContact O-CB 3.42Å; L265-H268 PolarHBondContact O-N 3.35Å
266L98.6Very high97.7Very high37 Ų3769.3 Ų69.319%0.19432%0.316CS..THydrogen-bonded Turntrans-58.2-24.8171-76.7171.3000112.9R123 L126 K127 E130 A262 E264R123-L266 HydrophobicContact CG-CD2 3.93Å; L126-L266 HydrophobicContact CB-CD2 3.57Å; L126-L266 HydrophobicContact CB-CG 3.88Å; L126-L266 HydrophobicContact CD1-CD2 4.22Å; L126-L266 HydrophobicContact CD1-CG 4.48Å; K127-L266 HydrophobicContact CG-CD1 4.41Å; K127-L266 HydrophobicContact CG-CD2 4.08Å; E130-L266 WeakPolarHBondContact OE2-CD1 3.49Å; A262-L266 WeakPolarHBondContact O-CG 3.34Å; A262-L266 PolarHBondContact O-N 3.34Å; E264-L266 VanDerWaalsContact C-N 3.3Å; E264-L266 PolarHBondContact O-N 3.38Å
267K98.5Very high97.8Very high156 Ų15675.5 Ų75.568%0.67834%0.34SS*.THydrogen-bonded Turntrans-93.80.5176.9-56.7177.9-176176.40112.9E264 L265E264-K267 WeakPolarHBondContact O-CB 3.49Å; E264-K267 PolarHBondContact O-N 3.5Å; L265-K267 PolarHBondContact O-N 3.05Å; L265-K267 VanDerWaalsContact O-N 3.15Å
268H98.8Very high98Very high39 Ų3967.7 Ų67.718%0.18131%0.313CS..SBendtrans-63148.2-178.9-165.8-97.6000111.4P243 F247 L265 F270 I271 T272P243-H268 PolarHBondContact O-CE1 2.78Å; P243-H268 VanDerWaalsContact O-CE1 3.27Å; F247-H268 HydrophobicContact CD2-CB 3.95Å; F247-H268 AromaticContact CD2-CG 3.79Å; F247-H268 AromaticContact CD2-ND1 3.62Å; F247-H268 HydrophobicContact CE2-CB 4.44Å; F247-H268 PolarHBondContact N-CE1 3.21Å; L265-H268 WeakPolarHBondContact O-CB 3.42Å; L265-H268 PolarHBondContact O-N 3.35Å; H268-F270 WeakPolarHBondContact ND1-CB 3.09Å; H268-F270 PolarHBondContact ND1-N 3.09Å; H268-F270 PolarHBondContact O-N 3.18Å; H268-I271 HydrophobicContact CB-CG1 4.47Å; H268-I271 PolarHBondContact O-N 3.08Å; H268-T272 PolarHBondContact O-N 3.43Å; H268-T272 PolarHBondContact O-OG1 3.09Å
269K98.3Very high98Very high113 Ų11365.2 Ų65.249%0.49131%0.31SS..Hα-helixtrans-59.6-32.9-177.8-70.7177-175165.70112.8P243 T272 R273P243-K269 HydrophobicContact CB-CB 4.25Å; K269-T272 WeakPolarHBondContact CA-OG1 3.2Å; K269-R273 WeakPolarHBondContact O-CB 2.97Å; K269-R273 WeakPolarHBondContact O-CD 3.06Å; K269-R273 WeakPolarHBondContact O-CG 3.34Å; K269-R273 PolarHBondContact O-N 3.49Å; K269-R273 VanDerWaalsContact O-N 3.14Å
270F98.8Very high97.8Very high0 Ų067.2 Ų67.20%032%0.318CS..Hα-helixtrans-61.7-55.7176.4-177.3-125.2000111.1E115 I118 A119 L122 P243 F244 F247 H268 R273 H274E115-F270 HydrophobicContact CB-CE2 4.02Å; E115-F270 HydrophobicContact CB-CZ 4.32Å; E115-F270 HydrophobicContact CG-CE2 4.32Å; E115-F270 WeakPolarHBondContact OE2-CE2 3.45Å; I118-F270 HydrophobicContact CG2-CE1 4.48Å; I118-F270 HydrophobicContact CG2-CZ 4.45Å; A119-F270 HydrophobicContact CB-CD1 4.35Å; A119-F270 HydrophobicContact CB-CE1 3.85Å; A119-F270 HydrophobicContact CB-CE2 4.22Å; A119-F270 HydrophobicContact CB-CZ 3.78Å; L122-F270 HydrophobicContact CD1-CE1 3.9Å; P243-F270 HydrophobicContact CB-CB 4.1Å; F244-F270 HydrophobicContact CB-CD2 3.59Å; F244-F270 HydrophobicContact CB-CE1 4.47Å; F244-F270 HydrophobicContact CB-CE2 3.46Å; F244-F270 VanDerWaalsContact CB-CE2 3.46Å; F244-F270 HydrophobicContact CB-CG 4.19Å; F244-F270 HydrophobicContact CB-CZ 3.93Å; F244-F270 HydrophobicContact CD1-CE2 4.08Å; F244-F270 AromaticContact CD1-CZ 3.88Å; F244-F270 HydrophobicContact CD1-CZ 3.88Å; F244-F270 AromaticContact CD2-CD1 3.73Å; F244-F270 HydrophobicContact CD2-CD1 3.73Å; F244-F270 HydrophobicContact CD2-CD2 4.19Å; F244-F270 AromaticContact CD2-CE1 3.27Å; F244-F270 HydrophobicContact CD2-CE1 3.27Å; F244-F270 AromaticContact CD2-CE2 3.81Å; F244-F270 HydrophobicContact CD2-CE2 3.81Å; F244-F270 HydrophobicContact CD2-CG 4.17Å; F244-F270 AromaticContact CD2-CZ 3.32Å; F244-F270 HydrophobicContact CD2-CZ 3.32Å; F244-F270 HydrophobicContact CE1-CZ 4.23Å; F244-F270 HydrophobicContact CE2-CD1 4.32Å; F244-F270 AromaticContact CE2-CE1 3.55Å; F244-F270 HydrophobicContact CE2-CE1 3.55Å; F244-F270 AromaticContact CE2-CZ 3.72Å; F244-F270 HydrophobicContact CE2-CZ 3.72Å; F244-F270 HydrophobicContact CG-CD1 4.39Å; F244-F270 HydrophobicContact CG-CD2 4.04Å; F244-F270 AromaticContact CG-CE1 3.89Å; F244-F270 HydrophobicContact CG-CE1 3.89Å; F244-F270 AromaticContact CG-CE2 3.52Å; F244-F270 HydrophobicContact CG-CE2 3.52Å; F244-F270 HydrophobicContact CG-CG 4.46Å; F244-F270 AromaticContact CG-CZ 3.43Å; F244-F270 HydrophobicContact CG-CZ 3.43Å; F244-F270 VanDerWaalsContact CG-CZ 3.43Å; F244-F270 HydrophobicContact CZ-CE1 4.36Å; F244-F270 HydrophobicContact CZ-CZ 4.17Å; F247-F270 HydrophobicContact CB-CB 4.01Å; F247-F270 HydrophobicContact CB-CD1 4.15Å; F247-F270 HydrophobicContact CB-CG 4.35Å; F247-F270 HydrophobicContact CD1-CD1 4.39Å; F247-F270 HydrophobicContact CD2-CB 4.43Å; F247-F270 HydrophobicContact CD2-CD1 4.34Å; F247-F270 HydrophobicContact CG-CB 4.44Å; F247-F270 HydrophobicContact CG-CD1 4.04Å; H268-F270 WeakPolarHBondContact ND1-CB 3.09Å; H268-F270 PolarHBondContact ND1-N 3.09Å; H268-F270 PolarHBondContact O-N 3.18Å; F270-R273 PolarHBondContact O-N 3.43Å; F270-H274 HydrophobicContact CD2-CB 4.4Å; F270-H274 HydrophobicContact CE2-CB 4.27Å; F270-H274 WeakPolarHBondContact O-CB 3.46Å; F270-H274 PolarHBondContact O-N 3.27Å; F270-H274 PolarHBondContact O-ND1 3.24Å
271I98.6Very high97.8Very high5 Ų566 Ų663%0.02631%0.31CS..Hα-helixtrans-60.9-52179.3-56.6-56.5000111.1L122 R123 L126 F247 H268 R273 T275L122-I271 HydrophobicContact CB-CD1 4Å; R123-I271 HydrophobicContact CB-CG2 3.91Å; R123-I271 HydrophobicContact CG-CG2 3.81Å; L126-I271 HydrophobicContact CD1-CD1 4.1Å; L126-I271 HydrophobicContact CD1-CG1 4Å; F247-I271 HydrophobicContact CD2-CG1 4.24Å; F247-I271 HydrophobicContact CE2-CD1 3.94Å; F247-I271 HydrophobicContact CE2-CG1 3.79Å; F247-I271 HydrophobicContact CZ-CD1 4.32Å; H268-I271 HydrophobicContact CB-CG1 4.47Å; H268-I271 PolarHBondContact O-N 3.08Å; I271-R273 VanDerWaalsContact C-N 3.27Å; I271-R273 PolarHBondContact O-N 2.94Å; I271-T275 WeakPolarHBondContact O-CB 3.21Å; I271-T275 PolarHBondContact O-N 2.98Å; I271-T275 PolarHBondContact O-OG1 3.33Å
272T97.8Very high97.8Very high90 Ų9065.9 Ų65.955%0.55231%0.309SS*.Hα-helixtrans-66.3-24.2-175.653.90000114.6H268 K269H268-T272 PolarHBondContact O-N 3.43Å; H268-T272 PolarHBondContact O-OG1 3.09Å; K269-T272 WeakPolarHBondContact CA-OG1 3.2Å
273R96.5Very high97.7Very high171 Ų17170.5 Ų70.565%0.64533%0.331SS*.Hα-helixtrans-100-29.9-177.5-64.7176.3178.4-167-4.1114.6K269 F270 I271K269-R273 WeakPolarHBondContact O-CB 2.97Å; K269-R273 WeakPolarHBondContact O-CD 3.06Å; K269-R273 WeakPolarHBondContact O-CG 3.34Å; K269-R273 PolarHBondContact O-N 3.49Å; K269-R273 VanDerWaalsContact O-N 3.14Å; F270-R273 PolarHBondContact O-N 3.43Å; I271-R273 VanDerWaalsContact C-N 3.27Å; I271-R273 PolarHBondContact O-N 2.94Å
274H96.1Very high97.6Very high49 Ų4964.8 Ų64.823%0.22731%0.306CS..Hα-helixtrans-107.5-16.1-168.5-62.861.4000112.7E115 T116 A119 F270E115-H274 IonicContact OE2-CD2 3.98Å; E115-H274 IonicContact OE2-NE2 3.01Å; T116-H274 WeakPolarHBondContact CA-O 3.1Å; T116-H274 WeakPolarHBondContact CG2-O 3.22Å; A119-H274 HydrophobicContact CB-CB 3.7Å; F270-H274 HydrophobicContact CD2-CB 4.4Å; F270-H274 HydrophobicContact CE2-CB 4.27Å; F270-H274 WeakPolarHBondContact O-CB 3.46Å; F270-H274 PolarHBondContact O-N 3.27Å; F270-H274 PolarHBondContact O-ND1 3.24Å
275T96.9Very high97.6Very high29 Ų2959.6 Ų59.618%0.17828%0.281CS..  trans-76.4139.7-175.8-59.40000113A119 T120 R123 I271A119-T275 VanDerWaalsContact C-OG1 3.31Å; A119-T275 PolarHBondContact O-OG1 3.12Å; T120-T275 HydrophobicContact CG2-CG2 4.17Å; R123-T275 HydrophobicContact CB-CG2 4.11Å; R123-T275 HydrophobicContact CG-CG2 4.48Å; I271-T275 WeakPolarHBondContact O-CB 3.21Å; I271-T275 PolarHBondContact O-N 2.98Å; I271-T275 PolarHBondContact O-OG1 3.33Å
276K97.3Very high97.5Very high95 Ų9562.9 Ų62.941%0.41330%0.299SS..  trans-109.6-172.8170.8-72.9-177-174.6170.80112.3T116 T120 R123 Y280T116-K276 HydrophobicContact CG2-CB 4.27Å; T116-K276 HydrophobicContact CG2-CD 3.52Å; T116-K276 HydrophobicContact CG2-CG 3.66Å; T120-K276 PolarHBondContact OG1-N 3.42Å; T120-K276 VanDerWaalsContact OG1-N 3.09Å; R123-K276 PolarHBondContact NH1-O 3Å; R123-K276 PolarHBondContact NH2-O 2.96Å; R123-K276 VanDerWaalsContact NH2-O 3.09Å; K276-Y280 HydrophobicContact CB-CD1 4.23Å; K276-Y280 HydrophobicContact CB-CG 4.28Å; K276-Y280 HydrophobicContact CD-CD1 3.68Å; K276-Y280 HydrophobicContact CD-CD2 4.12Å; K276-Y280 HydrophobicContact CD-CE1 3.82Å; K276-Y280 HydrophobicContact CD-CE2 4.28Å; K276-Y280 HydrophobicContact CD-CG 3.83Å; K276-Y280 PolarHBondContact NZ-OH 3.34Å
277K97.4Very high97.4Very high162 Ų16264 Ų6470%0.70430%0.301SS*.  trans-67148.3169.5-67.3-174.1178.8-178.20109.9T279 Y280K277-T279 PolarHBondContact O-N 3.48Å; K277-Y280 WeakPolarHBondContact O-CB 3.4Å; K277-Y280 PolarHBondContact O-N 3.13Å
278T97.3Very high97.3Very high27 Ų2758.1 Ų58.117%0.16627%0.274CS..G310 helixtrans-59.7-30.1178.7440000112.9E124 G153 Y280 L281E124-T278 HydrophobicContact CG-CG2 3.81Å; G153-T278 VanDerWaalsContact O-CB 3.31Å; G153-T278 WeakPolarHBondContact O-CB 3.34Å; T278-Y280 PolarHBondContact O-N 3.07Å; T278-L281 VanDerWaalsContact O-CB 3.26Å; T278-L281 WeakPolarHBondContact O-CB 3.31Å; T278-L281 WeakPolarHBondContact O-CG 3.31Å; T278-L281 PolarHBondContact O-N 3.31Å
279T97.1Very high97.1Very high88 Ų8860.8 Ų60.854%0.5428%0.283SS..G310 helixtrans-57-19.4171.960.10000113.6K277 L281 T282K277-T279 PolarHBondContact O-N 3.48Å; T279-L281 VanDerWaalsContact C-N 3.25Å; T279-L281 PolarHBondContact O-N 3.24Å; T279-T282 PolarHBondContact O-N 2.99Å; T279-T282 PolarHBondContact O-OG1 3.19Å
280Y95.9Very high96.9Very high46 Ų4662.2 Ų62.218%0.1829%0.285CS..G310 helixtrans-68.9-26.4173.4-168.7-118.6000112.2T116 Y117 K276 K277 T278 T282 E283T116-Y280 HydrophobicContact CG2-CD1 4.05Å; T116-Y280 HydrophobicContact CG2-CE1 3.72Å; Y117-Y280 AromaticContact CD1-CD1 3.84Å; Y117-Y280 HydrophobicContact CD1-CD1 3.84Å; Y117-Y280 AromaticContact CD1-CE1 3.88Å; Y117-Y280 HydrophobicContact CD1-CE1 3.88Å; Y117-Y280 AromaticContact CE1-CD1 3.43Å; Y117-Y280 HydrophobicContact CE1-CD1 3.43Å; Y117-Y280 VanDerWaalsContact CE1-CD1 3.43Å; Y117-Y280 AromaticContact CE1-CE1 3.31Å; Y117-Y280 HydrophobicContact CE1-CE1 3.31Å; Y117-Y280 HydrophobicContact CE1-CG 4.25Å; Y117-Y280 HydrophobicContact CE2-CE1 4.23Å; Y117-Y280 AromaticContact CZ-CE1 3.52Å; Y117-Y280 AromaticContact CZ-CZ 3.85Å; K276-Y280 HydrophobicContact CB-CD1 4.23Å; K276-Y280 HydrophobicContact CB-CG 4.28Å; K276-Y280 HydrophobicContact CD-CD1 3.68Å; K276-Y280 HydrophobicContact CD-CD2 4.12Å; K276-Y280 HydrophobicContact CD-CE1 3.82Å; K276-Y280 HydrophobicContact CD-CE2 4.28Å; K276-Y280 HydrophobicContact CD-CG 3.83Å; K276-Y280 PolarHBondContact NZ-OH 3.34Å; K277-Y280 WeakPolarHBondContact O-CB 3.4Å; K277-Y280 PolarHBondContact O-N 3.13Å; T278-Y280 PolarHBondContact O-N 3.07Å; Y280-T282 PolarHBondContact O-N 2.73Å; Y280-E283 VanDerWaalsContact CE2-OE1 3.27Å; Y280-E283 WeakPolarHBondContact CE2-OE1 3.41Å; Y280-E283 PolarHBondContact O-N 3.43Å
281L97.9Very high96.7Very high0 Ų064.9 Ų64.90%030%0.295CS..G310 helixtrans-69.5-15.7178.8-56.5-173.5000112.7Y117 T120 I121 L149 V155 T278 T279 E283 L284 I285Y117-L281 HydrophobicContact CD1-CD2 3.71Å; T120-L281 HydrophobicContact CG2-CD1 4.1Å; T120-L281 HydrophobicContact CG2-CD2 3.95Å; T120-L281 HydrophobicContact CG2-CG 4.01Å; I121-L281 HydrophobicContact CG1-CD1 3.91Å; I121-L281 HydrophobicContact CG1-CD2 4.24Å; L149-L281 HydrophobicContact CD2-CB 4.18Å; L149-L281 HydrophobicContact CD2-CD1 3.8Å; V155-L281 HydrophobicContact CG2-CD1 3.42Å; V155-L281 VanDerWaalsContact CG2-CD1 3.42Å; T278-L281 VanDerWaalsContact O-CB 3.26Å; T278-L281 WeakPolarHBondContact O-CB 3.31Å; T278-L281 WeakPolarHBondContact O-CG 3.31Å; T278-L281 PolarHBondContact O-N 3.31Å; T279-L281 VanDerWaalsContact C-N 3.25Å; T279-L281 PolarHBondContact O-N 3.24Å; L281-E283 PolarHBondContact O-N 3.09Å; L281-L284 HydrophobicContact CD2-CD1 4.47Å; L281-L284 WeakPolarHBondContact O-CB 2.86Å; L281-L284 PolarHBondContact O-N 2.98Å; L281-I285 PolarHBondContact O-N 3.44Å; L281-I285 VanDerWaalsContact O-N 3.16Å
282T97.6Very high96.3Very high40 Ų4070 Ų7025%0.24532%0.318CS..Hα-helixtrans-61.1-29.2175.265.50000111.7T279 Y280 L284 I285 D286T279-T282 PolarHBondContact O-N 2.99Å; T279-T282 PolarHBondContact O-OG1 3.19Å; Y280-T282 PolarHBondContact O-N 2.73Å; T282-L284 VanDerWaalsContact C-N 3.3Å; T282-L284 PolarHBondContact O-N 3.23Å; T282-I285 PolarHBondContact O-N 2.88Å; T282-D286 WeakPolarHBondContact O-CB 3.39Å; T282-D286 VanDerWaalsContact O-CG 3.31Å; T282-D286 PolarHBondContact O-N 2.96Å
283E97Very high96Very high99 Ų9970.4 Ų70.446%0.46332%0.324SS..Hα-helixtrans-60.3-39.2173.5-67.1-177-162.100112.1Y117 Y280 L281 R287Y117-E283 WeakPolarHBondContact OH-CB 3.26Å; Y117-E283 PolarHBondContact OH-OE2 3.25Å; Y280-E283 VanDerWaalsContact CE2-OE1 3.27Å; Y280-E283 WeakPolarHBondContact CE2-OE1 3.41Å; Y280-E283 PolarHBondContact O-N 3.43Å; L281-E283 PolarHBondContact O-N 3.09Å; E283-R287 WeakPolarHBondContact O-CB 3.16Å; E283-R287 PolarHBondContact O-N 3.33Å
284L96.6Very high95.7Very high2 Ų268.3 Ų68.31%0.0132%0.321CS..Hα-helixtrans-70.9-39.8175.2-69.9-179000112.1L107 L113 Y117 L281 T282 D286 R287 Y288L107-L284 HydrophobicContact CD1-CB 4.15Å; L113-L284 HydrophobicContact CD2-CD1 3.7Å; L113-L284 HydrophobicContact CD2-CD2 3.67Å; L113-L284 HydrophobicContact CD2-CG 4.34Å; Y117-L284 HydrophobicContact CD1-CD1 3.44Å; Y117-L284 VanDerWaalsContact CD1-CD1 3.44Å; Y117-L284 HydrophobicContact CD1-CD2 4.26Å; Y117-L284 HydrophobicContact CD1-CG 3.59Å; Y117-L284 HydrophobicContact CD2-CD1 4.14Å; Y117-L284 HydrophobicContact CD2-CD2 3.91Å; Y117-L284 HydrophobicContact CD2-CG 4.16Å; Y117-L284 HydrophobicContact CE1-CD1 4.03Å; Y117-L284 HydrophobicContact CE1-CD2 4.2Å; Y117-L284 HydrophobicContact CE1-CG 3.62Å; Y117-L284 HydrophobicContact CE2-CD2 3.85Å; Y117-L284 HydrophobicContact CE2-CG 4.19Å; Y117-L284 HydrophobicContact CG-CD1 3.5Å; Y117-L284 HydrophobicContact CG-CD2 4.13Å; Y117-L284 HydrophobicContact CG-CG 3.87Å; L281-L284 HydrophobicContact CD2-CD1 4.47Å; L281-L284 WeakPolarHBondContact O-CB 2.86Å; L281-L284 PolarHBondContact O-N 2.98Å; T282-L284 VanDerWaalsContact C-N 3.3Å; T282-L284 PolarHBondContact O-N 3.23Å; L284-D286 VanDerWaalsContact C-N 3.32Å; L284-R287 WeakPolarHBondContact O-CB 3.43Å; L284-R287 PolarHBondContact O-N 3.1Å; L284-Y288 PolarHBondContact O-N 2.82Å
285I97Very high94.9Very high1 Ų168.3 Ų68.31%0.00533%0.334CS..Hα-helixtrans-62-45.3177.8-63.6166.7000109.4L107 L149 S150 L281 T282 R287 Y288 R289L107-I285 HydrophobicContact CD1-CG1 4.37Å; L107-I285 HydrophobicContact CD2-CG1 4.38Å; L149-I285 HydrophobicContact CB-CD1 4.33Å; S150-I285 WeakPolarHBondContact O-CD1 3.17Å; L281-I285 PolarHBondContact O-N 3.44Å; L281-I285 VanDerWaalsContact O-N 3.16Å; T282-I285 PolarHBondContact O-N 2.88Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 2.79Å; I285-Y288 PolarHBondContact O-N 3.46Å; I285-R289 VanDerWaalsContact CG2-CZ 3.48Å; I285-R289 WeakPolarHBondContact O-CG 3.44Å; I285-R289 PolarHBondContact O-N 3.22Å
286D97.1Very high94Very high71 Ų7172.1 Ų72.138%0.3835%0.35SS..Hα-helixtrans-69.3-32.9177.9-68.1-22.4000112.4T282 L284 R289 R290T282-D286 WeakPolarHBondContact O-CB 3.39Å; T282-D286 VanDerWaalsContact O-CG 3.31Å; T282-D286 PolarHBondContact O-N 2.96Å; L284-D286 VanDerWaalsContact C-N 3.32Å; D286-R289 IonicContact OD1-CZ 3.5Å; D286-R289 IonicContact OD1-NH1 3.66Å; D286-R289 PolarHBondContact OD1-NH1 3.49Å; D286-R290 WeakPolarHBondContact O-CG 3.46Å; D286-R290 PolarHBondContact O-N 2.77Å; D286-R290 PolarHBondContact O-NE 2.62Å
287R96.6Very high92.1Very high61 Ų6169 Ų6923%0.2335%0.346CS..Hα-helixtrans-60.5-47169.8-176.5-178.77515911.6111.1L107 P110 G111 P112 L113 E283 L284 I285 R290 W291L107-R287 PolarHBondContact O-NH2 3Å; P110-R287 HydrophobicContact CB-CG 4.02Å; G111-R287 PolarHBondContact O-NH2 3.44Å; P112-R287 PolarHBondContact O-NH1 3.36Å; P112-R287 VanDerWaalsContact O-NH1 3.1Å; L113-R287 VanDerWaalsContact CD2-NH2 3.32Å; E283-R287 WeakPolarHBondContact O-CB 3.16Å; E283-R287 PolarHBondContact O-N 3.33Å; L284-R287 WeakPolarHBondContact O-CB 3.43Å; L284-R287 PolarHBondContact O-N 3.1Å; I285-R287 VanDerWaalsContact C-N 3.34Å; I285-R287 PolarHBondContact O-N 2.79Å; R287-R290 PolarHBondContact O-N 2.75Å; R287-W291 WeakPolarHBondContact O-CB 3.24Å; R287-W291 PolarHBondContact O-N 2.78Å
288Y95.9Very high89.7Confident32 Ų3268.9 Ų68.913%0.12535%0.347CS..Hα-helixtrans-65.6-42.5177.9174.1-114000112.6D106 L107 P110 L284 I285 R290 W291 K292D106-Y288 HydrophobicContact CB-CE1 4.17Å; D106-Y288 HydrophobicContact CB-CE2 4Å; D106-Y288 WeakPolarHBondContact O-CD2 3.32Å; L107-Y288 HydrophobicContact CD2-CD1 4.17Å; L107-Y288 HydrophobicContact CD2-CG 4.02Å; P110-Y288 HydrophobicContact CG-CD2 4.01Å; L284-Y288 PolarHBondContact O-N 2.82Å; I285-Y288 PolarHBondContact O-N 3.46Å; Y288-R290 PolarHBondContact O-N 3.44Å; Y288-W291 HydrophobicContact CD2-CE3 4.03Å; Y288-W291 AromaticContact CE2-CE3 3.93Å; Y288-W291 HydrophobicContact CE2-CE3 3.93Å; Y288-W291 AromaticContact CE2-CZ3 3.99Å; Y288-W291 HydrophobicContact CE2-CZ3 3.99Å; Y288-W291 PolarHBondContact O-N 2.93Å; Y288-K292 WeakPolarHBondContact O-CB 3.02Å; Y288-K292 PolarHBondContact O-N 2.8Å
289R94.4Very high87.3Confident95 Ų9575.5 Ų75.536%0.35838%0.376SS..Hα-helixtrans-58.8-45.3175.5-74.4172.8-179.5154.9-7.4112.3E151 I285 D286 K292 S293E151-R289 IonicContact OE1-NH2 2.68Å; I285-R289 VanDerWaalsContact CG2-CZ 3.48Å; I285-R289 WeakPolarHBondContact O-CG 3.44Å; I285-R289 PolarHBondContact O-N 3.22Å; D286-R289 IonicContact OD1-CZ 3.5Å; D286-R289 IonicContact OD1-NH1 3.66Å; D286-R289 PolarHBondContact OD1-NH1 3.49Å; R289-K292 PolarHBondContact O-N 3.34Å; R289-S293 PolarHBondContact O-N 2.95Å; R289-S293 PolarHBondContact O-OG 3.46Å
290R94.9Very high84.8Confident143 Ų14374.9 Ų74.954%0.5438%0.376SS..Hα-helixtrans-61.4-50.1176.6-77.7-178.6-72.5128.2-8.4111.7D286 R287 Y288 K292 S293 E294D286-R290 WeakPolarHBondContact O-CG 3.46Å; D286-R290 PolarHBondContact O-N 2.77Å; D286-R290 PolarHBondContact O-NE 2.62Å; R287-R290 PolarHBondContact O-N 2.75Å; Y288-R290 PolarHBondContact O-N 3.44Å; R290-K292 VanDerWaalsContact C-N 3.26Å; R290-K292 PolarHBondContact O-N 2.63Å; R290-S293 WeakPolarHBondContact CA-OG 3.3Å; R290-S293 PolarHBondContact O-N 3.15Å; R290-S293 PolarHBondContact O-OG 3.24Å; R290-E294 WeakPolarHBondContact O-CG 3.35Å; R290-E294 PolarHBondContact O-N 2.99Å
291W94.7Very high82.4Confident57 Ų5777.7 Ų77.722%0.21640%0.402CS..Hα-helixtrans-54.8-42.6176.3179.382000112.1R109 P110 R287 Y288 E294 H296R109-W291 HydrophobicContact CB-CE3 4.42Å; R109-W291 HydrophobicContact CB-CH2 3.87Å; R109-W291 HydrophobicContact CB-CZ2 4.16Å; R109-W291 HydrophobicContact CB-CZ3 4Å; R109-W291 HydrophobicContact CG-CH2 4.5Å; P110-W291 HydrophobicContact CB-CB 3.97Å; P110-W291 HydrophobicContact CB-CG 3.91Å; P110-W291 HydrophobicContact CG-CB 3.84Å; P110-W291 HydrophobicContact CG-CD2 4.17Å; P110-W291 HydrophobicContact CG-CE3 4.5Å; P110-W291 HydrophobicContact CG-CG 3.89Å; R287-W291 WeakPolarHBondContact O-CB 3.24Å; R287-W291 PolarHBondContact O-N 2.78Å; Y288-W291 HydrophobicContact CD2-CE3 4.03Å; Y288-W291 AromaticContact CE2-CE3 3.93Å; Y288-W291 HydrophobicContact CE2-CE3 3.93Å; Y288-W291 AromaticContact CE2-CZ3 3.99Å; Y288-W291 HydrophobicContact CE2-CZ3 3.99Å; Y288-W291 PolarHBondContact O-N 2.93Å; W291-E294 PolarHBondContact O-N 2.83Å; W291-H296 AromaticContact CD1-CD2 3.7Å; W291-H296 HydrophobicContact CD2-CB 3.79Å; W291-H296 HydrophobicContact CE3-CB 4.25Å; W291-H296 HydrophobicContact CG-CB 4.3Å; W291-H296 HydrophobicContact CH2-CB 3.96Å; W291-H296 WeakPolarHBondContact CH2-O 3.18Å; W291-H296 HydrophobicContact CZ2-CB 3.49Å; W291-H296 VanDerWaalsContact CZ2-CB 3.49Å; W291-H296 HydrophobicContact CZ3-CB 4.32Å; W291-H296 AromaticContact NE1-CD2 3.74Å; W291-H296 AromaticContact NE1-CG 3.73Å; W291-H296 WeakPolarHBondContact O-CB 3.45Å; W291-H296 PolarHBondContact O-CD2 3.02Å
292K90.9Very high79.4Confident113 Ų11382.3 Ų82.349%0.49143%0.434SS..Iπ-helixtrans-66.5-40.1176.5-166.6176.5-178.3175.20112.6Y288 R289 R290 E294 G295Y288-K292 WeakPolarHBondContact O-CB 3.02Å; Y288-K292 PolarHBondContact O-N 2.8Å; R289-K292 PolarHBondContact O-N 3.34Å; R290-K292 VanDerWaalsContact C-N 3.26Å; R290-K292 PolarHBondContact O-N 2.63Å; K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 PolarHBondContact O-N 3Å; K292-G295 PolarHBondContact O-N 2.96Å
293S89.9Confident76.2Confident97 Ų9787 Ų8768%0.67846%0.458SS*.Iπ-helixtrans-70.1-22.3179.667.80000114.3R289 R290 G295R289-S293 PolarHBondContact O-N 2.95Å; R289-S293 PolarHBondContact O-OG 3.46Å; R290-S293 WeakPolarHBondContact CA-OG 3.3Å; R290-S293 PolarHBondContact O-N 3.15Å; R290-S293 PolarHBondContact O-OG 3.24Å; S293-G295 PolarHBondContact O-N 3.36Å
294E90.8Very high73.2Confident127 Ų12791 Ų9159%0.59348%0.483SS*.Iπ-helixtrans-77.27.6175.5-71.1165.3-174.500112.6R290 W291 K292R290-E294 WeakPolarHBondContact O-CG 3.35Å; R290-E294 PolarHBondContact O-N 2.99Å; W291-E294 PolarHBondContact O-N 2.83Å; K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 PolarHBondContact O-N 3Å
295G80.5Confident70.4Confident49 Ų4995 Ų9551%0.50551%0.511SS..Iπ-helixtrans89.31.6176.400000114.2K292 S293 G297K292-G295 PolarHBondContact O-N 2.96Å; S293-G295 PolarHBondContact O-N 3.36Å; G295-G297 PolarHBondContact O-N 3.21Å; G295-G297 VanDerWaalsContact O-N 3.1Å
296H76.9Confident67.7Low109 Ų109103 Ų10351%0.50555%0.553SS.*Iπ-helixtrans-745.1176.2-58.3-61.8000113.9W291W291-H296 AromaticContact CD1-CD2 3.7Å; W291-H296 HydrophobicContact CD2-CB 3.79Å; W291-H296 HydrophobicContact CE3-CB 4.25Å; W291-H296 HydrophobicContact CG-CB 4.3Å; W291-H296 HydrophobicContact CH2-CB 3.96Å; W291-H296 WeakPolarHBondContact CH2-O 3.18Å; W291-H296 HydrophobicContact CZ2-CB 3.49Å; W291-H296 VanDerWaalsContact CZ2-CB 3.49Å; W291-H296 HydrophobicContact CZ3-CB 4.32Å; W291-H296 AromaticContact NE1-CD2 3.74Å; W291-H296 AromaticContact NE1-CG 3.73Å; W291-H296 WeakPolarHBondContact O-CB 3.45Å; W291-H296 PolarHBondContact O-CD2 3.02Å
297G58.2Low64.7Low31 Ų31108.3 Ų108.332%0.3258%0.578SS.*THydrogen-bonded Turntrans-106.6-0.9-174.600000116.8G295G295-G297 PolarHBondContact O-N 3.21Å; G295-G297 VanDerWaalsContact O-N 3.1Å
298E46.3Very low61.8Low159 Ų159113.7 Ų113.774%0.74361%0.612SS**  trans-99.131.2-172.7-67.3-166.3172.500115.2
299E47.4Very low58.7Low165 Ų165116.8 Ų116.877%0.77164%0.644SS**SBendtrans-101.848.8163.6-73.6-171.2174.900111.6
300S44.9Very low55.8Low76 Ų76120.7 Ų120.753%0.53167%0.672SS.*SBendtrans-164.815165.9-141.70000117.1
301S44.2Very low52.6Low104 Ų104116.9 Ų116.973%0.72768%0.677SS**SBendtrans-150.452.6177.879.40000116.1
302S34.7Very low49.6Very low98 Ų98122.6 Ų122.669%0.68571%0.712SS**SBendtrans-143.5123.9161.755.60000111.7
303D32.2Very low46.6Very low139 Ų139123.1 Ų123.174%0.74372%0.724SS**  trans73.981.6156-59.3-16.5000120.4
304D33.3Very low43.8Very low183 Ų183127.8 Ų127.898%0.97974%0.736SS**  trans-9676.5132.9-89.3-35000107.8
305S36.7Very low40.8Very low86 Ų86130.7 Ų130.760%0.60175%0.749SS**  trans-100.1116.4152.7580000107.1M307S305-M307 PolarHBondContact O-N 3.18Å
306D41.4Very low38.3Very low168 Ų168133.3 Ų133.390%0.89876%0.756SS**  trans-38103.7176.7-65.3-52000113.3
307M33.5Very low36Very low183 Ų183132.5 Ų132.590%0.90176%0.76SS**  trans-153.9119.2155.4-81.9-157.6163.900111.2S305 A309S305-M307 PolarHBondContact O-N 3.18Å; M307-A309 PolarHBondContact O-N 3.09Å
308D35.8Very low34.7Very low174 Ų174135.6 Ų135.693%0.9377%0.768SS**  trans-54.7115.8166.9-63.9-67.4000111.6
309A30.6Very low34.2Very low97 Ų97133.3 Ų133.380%0.80275%0.753SS**  trans-164.6131.9153.900000112.9M307M307-A309 PolarHBondContact O-N 3.09Å
310D33.2Very low33.4Very low176 Ų176130.3 Ų130.394%0.94174%0.742SS**  trans-59.2132.7177.2-155.611.2000112.8
311G27.8Very low32.6Very low64 Ų64131.1 Ų131.166%0.6674%0.736SS**  trans177.3103.7176.300000114.9V313G311-V313 PolarHBondContact O-N 3.4Å
312D31.9Very low32Very low177 Ų177130.8 Ų130.895%0.94773%0.732SS**  trans-57.2121.4171.8-102.8-24.9000111.8
313V28.9Very low32Very low124 Ų124128.4 Ų128.475%0.75271%0.713SS**  trans-130.8125.9164.6-176.10000109G311 Q315G311-V313 PolarHBondContact O-N 3.4Å; V313-Q315 PolarHBondContact O-N 3.36Å
314E30.5Very low31.9Very low195 Ų195125.5 Ų125.591%0.91170%0.7SS**PPolyproline II helixtrans-59116.2178.8-81.4179.3144.600111.3T316E314-T316 PolarHBondContact O-N 3.07Å
315Q28.6Very low31.8Very low187 Ų187123.7 Ų123.787%0.87468%0.684SS**PPolyproline II helixtrans-77.1116.2178.8-68.7172.86.300111V313V313-Q315 PolarHBondContact O-N 3.36Å
316T27.2Very low31.4Very low105 Ų105122.5 Ų122.564%0.64468%0.676SS**PPolyproline II helixtrans-66.7129.8152.835.90000108.5E314 L318E314-T316 PolarHBondContact O-N 3.07Å; T316-L318 PolarHBondContact O-N 3.37Å
317P28.6Very low30.7Very low91 Ų91121.3 Ų121.359%0.59167%0.668SS**  trans-76.3101.6-172.327.9-31.1000110.7W319P317-W319 HydrophobicContact CG-CZ2 4.41Å; P317-W319 PolarHBondContact O-N 3.22Å
318L30.1Very low30.4Very low96 Ų96116.9 Ų116.950%0.50366%0.655SS.*  trans-72.4103.8163.9-15083.6000107.5T316 N320T316-L318 PolarHBondContact O-N 3.37Å; L318-N320 PolarHBondContact O-N 3.15Å
319W36.3Very low30.1Very low111 Ų111117.5 Ų117.542%0.4265%0.652SS.*  trans-70.868.8-174.5-65112.8000113.8S217 P317 F321S217-W319 WeakPolarHBondContact O-CH2 3.32Å; S217-W319 WeakPolarHBondContact O-CZ2 3.43Å; P317-W319 HydrophobicContact CG-CZ2 4.41Å; P317-W319 PolarHBondContact O-N 3.22Å; W319-F321 HydrophobicContact CD2-CE2 4.47Å; W319-F321 HydrophobicContact CE3-CD2 4.09Å; W319-F321 AromaticContact CE3-CE2 3.18Å; W319-F321 HydrophobicContact CE3-CE2 3.18Å; W319-F321 AromaticContact CE3-CZ 3.66Å; W319-F321 HydrophobicContact CE3-CZ 3.66Å; W319-F321 AromaticContact CZ3-CE2 3.33Å; W319-F321 HydrophobicContact CZ3-CE2 3.33Å; W319-F321 AromaticContact CZ3-CZ 3.52Å; W319-F321 HydrophobicContact CZ3-CZ 3.52Å
320N30.1Very low30.1Very low102 Ų102120 Ų12055%0.54565%0.651SS.*  trans-105.9103.6164.7-83.1-19000109.2L318L318-N320 PolarHBondContact O-N 3.15Å
321F29.8Very low29.9Very low93 Ų93120.9 Ų120.941%0.40865%0.65SS.*  trans-108.6123.8172.8-72.4-61000111.7F181 P221 W319F181-F321 HydrophobicContact CE2-CE2 4.36Å; P221-F321 HydrophobicContact CG-CE2 4.28Å; P221-F321 HydrophobicContact CG-CZ 4.15Å; W319-F321 HydrophobicContact CD2-CE2 4.47Å; W319-F321 HydrophobicContact CE3-CD2 4.09Å; W319-F321 AromaticContact CE3-CE2 3.18Å; W319-F321 HydrophobicContact CE3-CE2 3.18Å; W319-F321 AromaticContact CE3-CZ 3.66Å; W319-F321 HydrophobicContact CE3-CZ 3.66Å; W319-F321 AromaticContact CZ3-CE2 3.33Å; W319-F321 HydrophobicContact CZ3-CE2 3.33Å; W319-F321 AromaticContact CZ3-CZ 3.52Å; W319-F321 HydrophobicContact CZ3-CZ 3.52Å
322P31.4Very low30Very low97 Ų97127.3 Ų127.363%0.6366%0.663SS**PPolyproline II helixtrans-71.9154.2162.37.44.3000111.7V324P322-V324 PolarHBondContact O-N 3.29Å
323T34.4Very low29.9Very low49 Ų49122.1 Ų122.130%0.30165%0.651SS.*PPolyproline II helixtrans-49.2126.6175.8-55.30000111.8F176 V177 K325F176-T323 WeakPolarHBondContact O-CG2 3.38Å; V177-T323 HydrophobicContact CG2-CG2 4.46Å; T323-K325 PolarHBondContact O-N 2.81Å
324V29.8Very low29.8Very low77 Ų77127.4 Ų127.447%0.46766%0.659SS.*PPolyproline II helixtrans-73.4118.4-179.2176.90000109.9P322P322-V324 PolarHBondContact O-N 3.29Å
325K32Very low29.7Very low145 Ų145123.9 Ų123.963%0.6365%0.653SS**PPolyproline II helixtrans-70.1152.6178.6-64.3-172178.1-167.70112.7T323T323-K325 PolarHBondContact O-N 2.81Å
326S27.3Very low29.6Very low62 Ų62123.9 Ų123.943%0.43465%0.653SS.*  trans-44.2134.1-176.2-175.30000116S328S326-S328 WeakPolarHBondContact OG-CB 3.37Å; S326-S328 PolarHBondContact OG-N 3.23Å; S326-S328 PolarHBondContact OG-OG 2.8Å
327I27.3Very low29.9Very low142 Ų142124 Ų12473%0.72866%0.655SS**  trans-107.578.1155.2-57.2176.5000107.2Q329I327-Q329 PolarHBondContact O-N 2.82Å
328S27.7Very low29.8Very low91 Ų91127.7 Ų127.764%0.63667%0.67SS**  trans-95.275171.8470000109.4S326S326-S328 WeakPolarHBondContact OG-CB 3.37Å; S326-S328 PolarHBondContact OG-N 3.23Å; S326-S328 PolarHBondContact OG-OG 2.8Å
329Q28.6Very low29.7Very low186 Ų186127.9 Ų127.987%0.86968%0.679SS**  trans-162.113.7162.9-114.5171.334.900116.9I327I327-Q329 PolarHBondContact O-N 2.82Å
330L29.6Very low29.4Very low151 Ų151131.4 Ų131.479%0.79170%0.701SS**SBendtrans-122.364.8171.6-77.6165.9000110.5
331Q30.8Very low29.2Very low194 Ų194132.7 Ų132.791%0.90772%0.717SS**  trans176.681.6154.3-99.1160.930.400109.6
332Q29.4Very low29.3Very low199 Ų199132 Ų13293%0.9374%0.737SS**  trans-140.1125.4147.3-107.2179.710.100108.6
333G29.7Very low29.2Very low67 Ų67135 Ų13569%0.69175%0.747SS**  trans-68.8160.2-173.900000113.5
334Y26.8Very low29.4Very low235 Ų235138 Ų13892%0.92277%0.77SS**  trans-35.3137.9169-72.2-92.8000114.9
335P27.5Very low29.5Very low121 Ų121143 Ų14379%0.78679%0.791SS**  trans-113.8141134.83.916.7000111
336Q26.6Very low29.6Very low187 Ų187145.8 Ų145.887%0.87480%0.803SS**  trans-70.6165.4169.4-106.8-178.1-27.500111.8
337P35.3Very low30.2Very low107 Ų107154.7 Ų154.770%0.69583%0.827SS**  trans-88147-157.235.6-33.7000112.5
338D25.9Very low31.2Very low169 Ų169154.7 Ų154.790%0.90482%0.824SS**  trans-147.5146.4149.6-89.4-35.2000111.4
339S28.3Very low32.4Very low100 Ų100156.1 Ų156.170%0.69983%0.832SS**  trans-35.2139.7-170.635.60000122.6
340E28.8Very low33.8Very low186 Ų186155.7 Ų155.787%0.86983%0.827SS**  trans54.9115.8133.8-62.1-170.3155.700121.5
341S27.1Very low35.6Very low128 Ų128148.8 Ų148.890%0.89579%0.791SS**  175.5139.2102.238.30000110.5
342G31.8Very low37.6Very low80 Ų80147.2 Ų147.283%0.82578%0.784SS**  trans-82.8160.8-160.200000116.7
343D28.6Very low39.7Very low158 Ų158138.3 Ų138.385%0.84574%0.743SS**  trans-147.6149.5145.8-157.87.1000111.2M345D343-M345 PolarHBondContact O-N 3.25Å
344S38.1Very low42Very low112 Ų112136.3 Ų136.378%0.78372%0.717SS**  trans-93.695.8-156.8-40.20000110.8
345M31.5Very low44.4Very low184 Ų184129 Ų12991%0.90670%0.699SS**  trans-96.3125171.4-80.3-172159.100112D343 R347D343-M345 PolarHBondContact O-N 3.25Å; M345-R347 PolarHBondContact O-N 3.28Å
346K35Very low46.8Very low203 Ų203126.2 Ų126.288%0.88369%0.687SS**  trans-51.4118.8-178.5-70171.2177.41740111.6Q348K346-Q348 PolarHBondContact O-N 3.46Å
347R38.9Very low49.3Very low248 Ų248121.4 Ų121.494%0.93667%0.667SS**  trans-65.4114.3174.6-71.9-179.7177.6178.9-0.5110.3M345M345-R347 PolarHBondContact O-N 3.28Å
348Q48.8Very low51.4Low142 Ų142117 Ų11766%0.66464%0.638SS**PPolyproline II helixtrans-68.6151.2165.2-79.3-171.6-14.600110.7K346 K350K346-Q348 PolarHBondContact O-N 3.46Å; Q348-K350 PolarHBondContact O-N 3.26Å
349P53.1Low54.2Low122 Ų122110.9 Ų110.979%0.79261%0.607SS**PPolyproline II helixtrans-65.8127.6-17625.6-31.9000110.8
350K58.1Low56.9Low177 Ų177108.7 Ų108.777%0.7759%0.59SS**PPolyproline II helixtrans-63.2143.3177.3-67.6-173.2173.5-166.70110.7Q348 Q352Q348-K350 PolarHBondContact O-N 3.26Å; K350-Q352 PolarHBondContact O-N 3.43Å
351S67.8Low59.7Low6 Ų6104.1 Ų104.14%0.04257%0.571CS.*PPolyproline II helixtrans-48.4133.9175.4164.40000112.9C353 L354 E390 D398S351-C353 PolarHBondContact OG-N 2.92Å; S351-C353 PolarHBondContact OG-SG 3.47Å; S351-L354 PolarHBondContact OG-N 3.42Å; S351-E390 VanDerWaalsContact CB-CD 3.49Å; S351-E390 WeakPolarHBondContact CB-OE1 3.31Å; S351-D398 WeakPolarHBondContact CB-OD2 3.27Å; S351-D398 PolarHBondContact OG-OD1 2.97Å; S351-D398 PolarHBondContact OG-OD2 3.37Å
352Q72.5Confident62.5Low161 Ų16198.7 Ų98.775%0.75253%0.531SS*.Hα-helixtrans-72.3-35.7-178.2-146.617416.500111K350 S355 A356K350-Q352 PolarHBondContact O-N 3.43Å; Q352-S355 PolarHBondContact O-OG 3.37Å; Q352-A356 WeakPolarHBondContact O-CB 3.44Å; Q352-A356 PolarHBondContact O-N 3.06Å
353C74.3Confident65.2Low11 Ų11102.2 Ų102.27%0.07452%0.519CS..Hα-helixtrans-72-29.7177.480.20000113.2S351 S355 A356 L357 V358 S397 D398 V401S351-C353 PolarHBondContact OG-N 2.92Å; S351-C353 PolarHBondContact OG-SG 3.47Å; C353-S355 VanDerWaalsContact C-N 3.29Å; C353-S355 PolarHBondContact O-N 3.23Å; C353-A356 PolarHBondContact O-N 3.38Å; C353-L357 HydrophobicContact CB-CD1 4.32Å; C353-L357 WeakPolarHBondContact O-CA 3.41Å; C353-L357 WeakPolarHBondContact O-CB 3.44Å; C353-L357 PolarHBondContact O-N 2.76Å; C353-V358 PolarHBondContact O-N 3Å; C353-S397 VanDerWaalsContact SG-CB 3.55Å; C353-S397 PolarHBondContact SG-O 2.94Å; C353-S397 VanDerWaalsContact SG-O 3.4Å; C353-D398 WeakPolarHBondContact CB-OD1 3.36Å; C353-D398 PolarHBondContact N-OD1 3.28Å; C353-D398 WeakPolarHBondContact SG-CA 3.42Å; C353-D398 PolarHBondContact SG-N 2.82Å; C353-D398 PolarHBondContact SG-OD1 3.02Å; C353-V401 HydrophobicContact CB-CG2 4.47Å
354L76.8Confident67.9Low26 Ų2699.6 Ų99.614%0.13650%0.502CS..Iπ-helixtrans-61.7-42.8-178.9-170.1113.1000110.5S351 T359 E390 S397S351-L354 PolarHBondContact OG-N 3.42Å; L354-T359 WeakPolarHBondContact O-CB 3.25Å; L354-T359 PolarHBondContact O-N 3.43Å; L354-T359 PolarHBondContact O-OG1 3.09Å; L354-E390 HydrophobicContact CD1-CB 3.97Å; L354-E390 HydrophobicContact CD1-CG 4.05Å; L354-S397 VanDerWaalsContact CD1-OG 3.26Å; L354-S397 WeakPolarHBondContact CD1-OG 3.18Å
355S77.3Confident70.1Confident80 Ų8098 Ų9856%0.55949%0.485SS*.Iπ-helixtrans-81.2-37.4177.661.70000113.6Q352 C353 P360Q352-S355 PolarHBondContact O-OG 3.37Å; C353-S355 VanDerWaalsContact C-N 3.29Å; C353-S355 PolarHBondContact O-N 3.23Å; S355-P360 WeakPolarHBondContact O-CD 3.48Å
356A78.5Confident72.8Confident63 Ų6390.7 Ų90.752%0.52145%0.448SS..Iπ-helixtrans-86.9-26.7-17300000114.9Q352 C353Q352-A356 WeakPolarHBondContact O-CB 3.44Å; Q352-A356 PolarHBondContact O-N 3.06Å; C353-A356 PolarHBondContact O-N 3.38Å
357L78.4Confident75.2Confident86 Ų8685.2 Ų85.245%0.4543%0.428SS..Iπ-helixtrans-125.2-52.6-173.5-67.1174.2000112.4C353 P360 I361 V401C353-L357 HydrophobicContact CB-CD1 4.32Å; C353-L357 WeakPolarHBondContact O-CA 3.41Å; C353-L357 WeakPolarHBondContact O-CB 3.44Å; C353-L357 PolarHBondContact O-N 2.76Å; L357-P360 WeakPolarHBondContact O-CD 3.48Å; L357-I361 WeakPolarHBondContact O-CB 3.46Å; L357-I361 VanDerWaalsContact O-CD1 3.31Å; L357-I361 WeakPolarHBondContact O-CD1 3.38Å; L357-I361 WeakPolarHBondContact O-CG1 3.35Å; L357-I361 PolarHBondContact O-N 3.02Å; L357-V401 HydrophobicContact CD1-CG1 4.03Å
358V80.4Confident77.3Confident15 Ų1579 Ų799%0.09141%0.408CS..Iπ-helixtrans-68.5-50.7-171.2-179.60000111.2C353 I361 F362 F386 V401C353-V358 PolarHBondContact O-N 3Å; V358-I361 PolarHBondContact O-N 3.45Å; V358-F362 HydrophobicContact CG1-CD2 3.68Å; V358-F362 HydrophobicContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact O-CD2 3.25Å; V358-F362 WeakPolarHBondContact O-CD2 3.45Å; V358-F362 PolarHBondContact O-N 3.26Å; V358-F362 VanDerWaalsContact O-N 3.09Å; V358-F386 HydrophobicContact CG1-CD1 3.97Å; V358-F386 HydrophobicContact CG1-CE1 4.35Å; V358-F386 HydrophobicContact CG1-CG 4.2Å; V358-V401 HydrophobicContact CG2-CG2 4.33Å
359T83.2Confident79Confident41 Ų4177.4 Ų77.425%0.25240%0.396SS..Hα-helixtrans-62-44.8-179.6-53.10000112.9L354 I361 F362 R363L354-T359 WeakPolarHBondContact O-CB 3.25Å; L354-T359 PolarHBondContact O-N 3.43Å; L354-T359 PolarHBondContact O-OG1 3.09Å; T359-I361 PolarHBondContact O-N 3.37Å; T359-F362 PolarHBondContact O-N 3.31Å; T359-R363 PolarHBondContact O-N 3.4Å
360P86.8Confident80.3Confident53 Ų5378.7 Ų78.734%0.34439%0.385SS..Hα-helixtrans-61.4-38.8174.5-26.636.5000114.2S355 L357 R363 E364S355-P360 WeakPolarHBondContact O-CD 3.48Å; L357-P360 WeakPolarHBondContact O-CD 3.48Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3.37Å; P360-E364 PolarHBondContact O-N 2.92Å
361I86.3Confident81.2Confident90 Ų9074.6 Ų74.646%0.46238%0.384SS..Hα-helixtrans-63.6-45.4177.6-71.7166.7000110.6L357 V358 T359 R363 E364 L365L357-I361 WeakPolarHBondContact O-CB 3.46Å; L357-I361 VanDerWaalsContact O-CD1 3.31Å; L357-I361 WeakPolarHBondContact O-CD1 3.38Å; L357-I361 WeakPolarHBondContact O-CG1 3.35Å; L357-I361 PolarHBondContact O-N 3.02Å; V358-I361 PolarHBondContact O-N 3.45Å; T359-I361 PolarHBondContact O-N 3.37Å; I361-R363 VanDerWaalsContact C-N 3.31Å; I361-R363 PolarHBondContact O-N 3.16Å; I361-E364 PolarHBondContact O-N 3.24Å; I361-L365 HydrophobicContact CG2-CD1 3.86Å; I361-L365 HydrophobicContact CG2-CG 4.35Å; I361-L365 WeakPolarHBondContact O-CB 3.19Å; I361-L365 VanDerWaalsContact O-CG 3.31Å; I361-L365 WeakPolarHBondContact O-CG 2.99Å; I361-L365 PolarHBondContact O-N 2.93Å
362F87.5Confident81.7Confident15 Ų1579.2 Ų79.27%0.06642%0.416CS..Hα-helixtrans-62.9-38.9177.3-79.6-60.5000112.1V358 T359 L365 K366 I379 L382 E383 F386V358-F362 HydrophobicContact CG1-CD2 3.68Å; V358-F362 HydrophobicContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact CG1-CE2 3.44Å; V358-F362 VanDerWaalsContact O-CD2 3.25Å; V358-F362 WeakPolarHBondContact O-CD2 3.45Å; V358-F362 PolarHBondContact O-N 3.26Å; V358-F362 VanDerWaalsContact O-N 3.09Å; T359-F362 PolarHBondContact O-N 3.31Å; F362-L365 PolarHBondContact O-N 3.26Å; F362-K366 WeakPolarHBondContact O-CB 3.26Å; F362-K366 VanDerWaalsContact O-CG 3.27Å; F362-K366 WeakPolarHBondContact O-CG 3.17Å; F362-K366 PolarHBondContact O-N 3.03Å; F362-I379 HydrophobicContact CD1-CG2 3.6Å; F362-I379 HydrophobicContact CE1-CG2 4.27Å; F362-L382 HydrophobicContact CE1-CB 4.19Å; F362-L382 HydrophobicContact CE1-CD2 3.86Å; F362-L382 HydrophobicContact CE1-CG 3.92Å; F362-L382 HydrophobicContact CZ-CB 4.42Å; F362-L382 HydrophobicContact CZ-CD2 4.06Å; F362-L382 HydrophobicContact CZ-CG 3.83Å; F362-E383 HydrophobicContact CB-CB 4.43Å; F362-E383 HydrophobicContact CB-CG 4.29Å; F362-E383 HydrophobicContact CD1-CB 4.32Å; F362-E383 HydrophobicContact CD2-CB 4.03Å; F362-E383 HydrophobicContact CD2-CG 3.98Å; F362-E383 HydrophobicContact CE2-CB 4.36Å; F362-E383 HydrophobicContact CG-CB 4.01Å; F362-E383 HydrophobicContact CG-CG 4.18Å; F362-F386 AromaticContact CE2-CD2 3.94Å; F362-F386 HydrophobicContact CE2-CD2 3.94Å; F362-F386 HydrophobicContact CE2-CE2 4.32Å; F362-F386 HydrophobicContact CE2-CG 4.32Å; F362-F386 AromaticContact CZ-CD2 3.92Å; F362-F386 HydrophobicContact CZ-CD2 3.92Å; F362-F386 HydrophobicContact CZ-CE2 4.06Å
363R86.8Confident81.6Confident154 Ų15475.1 Ų75.158%0.58142%0.417SS*.Hα-helixtrans-59.3-49.6173.2-170.7-179.1-62.5154.62.3111.8T359 P360 I361 L365 K366 D367T359-R363 PolarHBondContact O-N 3.4Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3.37Å; I361-R363 VanDerWaalsContact C-N 3.31Å; I361-R363 PolarHBondContact O-N 3.16Å; R363-L365 VanDerWaalsContact C-N 3.33Å; R363-L365 PolarHBondContact O-N 2.73Å; R363-K366 PolarHBondContact O-N 3.47Å; R363-D367 PolarHBondContact O-N 2.87Å
364E86.9Confident81.6Confident103 Ų10376 Ų7648%0.48143%0.427SS..Hα-helixtrans-62.1-40179.5-166-171.1159.500112.2P360 I361 D367 K368P360-E364 PolarHBondContact O-N 2.92Å; I361-E364 PolarHBondContact O-N 3.24Å; E364-D367 PolarHBondContact O-N 3.15Å; E364-K368 WeakPolarHBondContact O-CB 3.32Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 3.43Å; E364-K368 WeakPolarHBondContact OE1-CE 3.4Å; E364-K368 IonicContact OE1-NZ 3.87Å; E364-K368 PolarHBondContact OE1-NZ 3.1Å
365L83.4Confident81.6Confident79 Ų7977.5 Ų77.541%0.41445%0.45SS..Hα-helixtrans-66-39.7176.5-72.1172.9000112.1I361 F362 R363 R369 I379I361-L365 HydrophobicContact CG2-CD1 3.86Å; I361-L365 HydrophobicContact CG2-CG 4.35Å; I361-L365 WeakPolarHBondContact O-CB 3.19Å; I361-L365 VanDerWaalsContact O-CG 3.31Å; I361-L365 WeakPolarHBondContact O-CG 2.99Å; I361-L365 PolarHBondContact O-N 2.93Å; F362-L365 PolarHBondContact O-N 3.26Å; R363-L365 VanDerWaalsContact C-N 3.33Å; R363-L365 PolarHBondContact O-N 2.73Å; L365-R369 WeakPolarHBondContact O-CB 3.34Å; L365-R369 PolarHBondContact O-N 3.42Å; L365-I379 HydrophobicContact CB-CD1 4.21Å; L365-I379 HydrophobicContact CB-CG2 4.49Å
366K87.4Confident82Confident30 Ų3074.5 Ų74.513%0.1343%0.428CS..Hα-helixtrans-63.9-43.9174.5-72.7179.5-168.9-176.30111.2F362 R363 R369 R370 V376 I379 E380 E383F362-K366 WeakPolarHBondContact O-CB 3.26Å; F362-K366 VanDerWaalsContact O-CG 3.27Å; F362-K366 WeakPolarHBondContact O-CG 3.17Å; F362-K366 PolarHBondContact O-N 3.03Å; R363-K366 PolarHBondContact O-N 3.47Å; K366-R369 PolarHBondContact O-N 3.37Å; K366-R370 WeakPolarHBondContact O-CB 3.36Å; K366-R370 VanDerWaalsContact O-CG 3.28Å; K366-R370 WeakPolarHBondContact O-CG 3.45Å; K366-R370 PolarHBondContact O-N 3.27Å; K366-V376 HydrophobicContact CB-CG1 4.01Å; K366-V376 HydrophobicContact CG-CB 4.2Å; K366-V376 HydrophobicContact CG-CG1 4.06Å; K366-I379 HydrophobicContact CD-CG2 4.46Å; K366-I379 HydrophobicContact CG-CB 4.14Å; K366-I379 HydrophobicContact CG-CD1 4.47Å; K366-I379 HydrophobicContact CG-CG2 3.69Å; K366-E380 HydrophobicContact CD-CG 4.37Å; K366-E380 VanDerWaalsContact NZ-CG 3.31Å; K366-E383 WeakPolarHBondContact CE-OE2 3.47Å; K366-E383 IonicContact NZ-OE2 2.65Å; K366-E383 PolarHBondContact NZ-OE2 3.42Å
367D85.6Confident82Confident87 Ų8773.2 Ų73.247%0.46542%0.421SS..Hα-helixtrans-65.2-42.5-179.9-68.3-21.1000111.5R363 E364 R369 R370 A371R363-D367 PolarHBondContact O-N 2.87Å; E364-D367 PolarHBondContact O-N 3.15Å; D367-R369 PolarHBondContact O-N 3.1Å; D367-R370 PolarHBondContact O-N 3.41Å; D367-A371 WeakPolarHBondContact O-CB 3.33Å; D367-A371 PolarHBondContact O-N 2.91Å
368K84.6Confident81.8Confident119 Ų11971.9 Ų71.952%0.51742%0.422SS..Hα-helixtrans-62.2-39.7173.7-75.6178.4-175.7168.20112.8E364 S372E364-K368 WeakPolarHBondContact O-CB 3.32Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 3.43Å; E364-K368 WeakPolarHBondContact OE1-CE 3.4Å; E364-K368 IonicContact OE1-NZ 3.87Å; E364-K368 PolarHBondContact OE1-NZ 3.1Å; K368-S372 PolarHBondContact O-N 2.68Å; K368-S372 PolarHBondContact O-OG 3.37Å
369R82.6Confident82Confident108 Ų10872.3 Ų72.341%0.40842%0.424SS..Hα-helixtrans-73-38179.9-143.6-166.4-152.6-168.25.4112.1L365 K366 D367 S372 G373 G374 G375 V376 I379L365-R369 WeakPolarHBondContact O-CB 3.34Å; L365-R369 PolarHBondContact O-N 3.42Å; K366-R369 PolarHBondContact O-N 3.37Å; D367-R369 PolarHBondContact O-N 3.1Å; R369-S372 CarbonylContact O-C 3.58Å; R369-S372 PolarHBondContact O-N 2.65Å; R369-S372 VanDerWaalsContact O-N 3.16Å; R369-G373 PolarHBondContact O-N 3.41Å; R369-G374 PolarHBondContact O-N 3.44Å; R369-G375 VanDerWaalsContact CD-O 3.25Å; R369-G375 WeakPolarHBondContact CD-O 3.37Å; R369-G375 PolarHBondContact NH1-O 3.46Å; R369-V376 HydrophobicContact CB-CG1 4.29Å; R369-I379 HydrophobicContact CB-CD1 4.16Å; R369-I379 HydrophobicContact CG-CD1 4.46Å
370R82.1Confident82Confident149 Ų14973.8 Ų73.856%0.56243%0.428SS*.Hα-helixtrans-63-42.8173.7-75.8174.4179.4-175.5-0.5111.5K366 D367 S372 G373 V376K366-R370 WeakPolarHBondContact O-CB 3.36Å; K366-R370 VanDerWaalsContact O-CG 3.28Å; K366-R370 WeakPolarHBondContact O-CG 3.45Å; K366-R370 PolarHBondContact O-N 3.27Å; D367-R370 PolarHBondContact O-N 3.41Å; R370-S372 PolarHBondContact O-N 3.46Å; R370-G373 PolarHBondContact O-N 3.05Å; R370-G373 VanDerWaalsContact O-N 3.12Å; R370-V376 HydrophobicContact CG-CG1 3.81Å
371A76.8Confident81.8Confident91 Ų9178.2 Ų78.275%0.75244%0.444SS*.Hα-helixtrans-62.9-24.9174.600000113.3D367D367-A371 WeakPolarHBondContact O-CB 3.33Å; D367-A371 PolarHBondContact O-N 2.91Å
372S78.3Confident81.5Confident103 Ų10378.3 Ų78.372%0.7245%0.445SS*.THydrogen-bonded Turntrans-94.27.7178-51.50000113.5K368 R369 R370 G374K368-S372 PolarHBondContact O-N 2.68Å; K368-S372 PolarHBondContact O-OG 3.37Å; R369-S372 CarbonylContact O-C 3.58Å; R369-S372 PolarHBondContact O-N 2.65Å; R369-S372 VanDerWaalsContact O-N 3.16Å; R370-S372 PolarHBondContact O-N 3.46Å; S372-G374 VanDerWaalsContact C-N 3.28Å; S372-G374 PolarHBondContact O-N 3.32Å
373G69.9Low81.4Confident75 Ų7579.4 Ų79.477%0.77345%0.45SS*.THydrogen-bonded Turntrans71.913.3-179.700000115.3R369 R370R369-G373 PolarHBondContact O-N 3.41Å; R370-G373 PolarHBondContact O-N 3.05Å; R370-G373 VanDerWaalsContact O-N 3.12Å
374G74.4Confident81.3Confident28 Ų2876.6 Ų76.629%0.28945%0.447SS..  trans-94.5139.9-17900000113.1R369 S372R369-G374 PolarHBondContact O-N 3.44Å; S372-G374 VanDerWaalsContact C-N 3.28Å; S372-G374 PolarHBondContact O-N 3.32Å
375G77.4Confident81.1Confident59 Ų5974.1 Ų74.161%0.60844%0.444SS*.  trans-65.9141.1177.200000112.7R369R369-G375 VanDerWaalsContact CD-O 3.25Å; R369-G375 WeakPolarHBondContact CD-O 3.37Å; R369-G375 PolarHBondContact NH1-O 3.46Å
376V83.9Confident81Confident17 Ų1772.8 Ų72.810%0.10343%0.434CS..  trans-92.51.7-173.9-71.40000114.9K366 R369 R370 A378 I379 E380K366-V376 HydrophobicContact CB-CG1 4.01Å; K366-V376 HydrophobicContact CG-CB 4.2Å; K366-V376 HydrophobicContact CG-CG1 4.06Å; R369-V376 HydrophobicContact CB-CG1 4.29Å; R370-V376 HydrophobicContact CG-CG1 3.81Å; V376-A378 PolarHBondContact O-N 3.18Å; V376-I379 WeakPolarHBondContact O-CA 3.46Å; V376-I379 WeakPolarHBondContact O-CB 3.25Å; V376-I379 PolarHBondContact O-N 3.31Å; V376-E380 HydrophobicContact CG2-CG 4.47Å; V376-E380 VanDerWaalsContact CG2-OE1 3.3Å; V376-E380 WeakPolarHBondContact CG2-OE1 3.41Å; V376-E380 PolarHBondContact O-N 3.38Å
377G78.5Confident80.7Confident36 Ų3673.5 Ų73.537%0.37144%0.444SS..Hα-helixtrans-53.4-44.5-171.500000114.8I379 E380 E381G377-I379 VanDerWaalsContact C-N 3.26Å; G377-I379 PolarHBondContact O-N 2.96Å; G377-E380 PolarHBondContact O-N 2.89Å; G377-E381 PolarHBondContact O-N 2.89Å
378A76.2Confident80.5Confident58 Ų5874.2 Ų74.248%0.47945%0.447SS..Hα-helixtrans-64.7-29.2176.800000113.6V376 L382V376-A378 PolarHBondContact O-N 3.18Å; A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 PolarHBondContact O-N 3.45Å
379I83.1Confident80.4Confident23 Ų2370.3 Ų70.312%0.11844%0.437CS..Hα-helixtrans-76.6-37177.1-54.9179.5000109.7F362 L365 K366 R369 V376 G377 L382 E383F362-I379 HydrophobicContact CD1-CG2 3.6Å; F362-I379 HydrophobicContact CE1-CG2 4.27Å; L365-I379 HydrophobicContact CB-CD1 4.21Å; L365-I379 HydrophobicContact CB-CG2 4.49Å; K366-I379 HydrophobicContact CD-CG2 4.46Å; K366-I379 HydrophobicContact CG-CB 4.14Å; K366-I379 HydrophobicContact CG-CD1 4.47Å; K366-I379 HydrophobicContact CG-CG2 3.69Å; R369-I379 HydrophobicContact CB-CD1 4.16Å; R369-I379 HydrophobicContact CG-CD1 4.46Å; V376-I379 WeakPolarHBondContact O-CA 3.46Å; V376-I379 WeakPolarHBondContact O-CB 3.25Å; V376-I379 PolarHBondContact O-N 3.31Å; G377-I379 VanDerWaalsContact C-N 3.26Å; G377-I379 PolarHBondContact O-N 2.96Å; I379-L382 PolarHBondContact O-N 2.98Å; I379-E383 WeakPolarHBondContact O-CB 3.45Å; I379-E383 PolarHBondContact O-N 3.29Å
380E83.7Confident80.5Confident72 Ų7266 Ų6634%0.33642%0.421SS..Hα-helixtrans-67.1-43.6175-74.4169.1173.300112.1K366 V376 G377 L382 E383 N384K366-E380 HydrophobicContact CD-CG 4.37Å; K366-E380 VanDerWaalsContact NZ-CG 3.31Å; V376-E380 HydrophobicContact CG2-CG 4.47Å; V376-E380 VanDerWaalsContact CG2-OE1 3.3Å; V376-E380 WeakPolarHBondContact CG2-OE1 3.41Å; V376-E380 PolarHBondContact O-N 3.38Å; G377-E380 PolarHBondContact O-N 2.89Å; E380-L382 VanDerWaalsContact C-N 3.3Å; E380-L382 PolarHBondContact O-N 2.87Å; E380-E383 PolarHBondContact O-N 3.21Å; E380-N384 WeakPolarHBondContact O-CB 3.07Å; E380-N384 PolarHBondContact O-N 3.45Å; E380-N384 PolarHBondContact O-ND2 3.31Å
381E81.8Confident80.4Confident147 Ų14766.1 Ų66.169%0.68743%0.428SS*.Hα-helixtrans-60-41.2173.5-76.7177.5-171.200111.8G377 N384 A385G377-E381 PolarHBondContact O-N 2.89Å; E381-N384 PolarHBondContact O-N 2.88Å; E381-A385 WeakPolarHBondContact O-CB 3.48Å; E381-A385 PolarHBondContact O-N 3.38Å
382L80.3Confident80.4Confident91 Ų9166.6 Ų66.648%0.47643%0.426SS..Hα-helixtrans-69.1-42.1178.9-171.859.4000112F362 A378 I379 E380 N384 A385 F386F362-L382 HydrophobicContact CE1-CB 4.19Å; F362-L382 HydrophobicContact CE1-CD2 3.86Å; F362-L382 HydrophobicContact CE1-CG 3.92Å; F362-L382 HydrophobicContact CZ-CB 4.42Å; F362-L382 HydrophobicContact CZ-CD2 4.06Å; F362-L382 HydrophobicContact CZ-CG 3.83Å; A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 PolarHBondContact O-N 3.45Å; I379-L382 PolarHBondContact O-N 2.98Å; E380-L382 VanDerWaalsContact C-N 3.3Å; E380-L382 PolarHBondContact O-N 2.87Å; L382-N384 VanDerWaalsContact C-N 3.31Å; L382-N384 PolarHBondContact O-N 3.17Å; L382-A385 WeakPolarHBondContact O-CB 3.29Å; L382-A385 PolarHBondContact O-N 2.96Å; L382-F386 HydrophobicContact CD1-CD2 4.47Å; L382-F386 HydrophobicContact CD1-CE2 4.33Å; L382-F386 HydrophobicContact CG-CD2 4.49Å; L382-F386 HydrophobicContact CG-CE2 4.46Å; L382-F386 WeakPolarHBondContact O-CD2 3.27Å; L382-F386 PolarHBondContact O-N 3.28Å; L382-F386 VanDerWaalsContact O-N 3.1Å
383E85.1Confident80.2Confident39 Ų3967 Ų6718%0.18242%0.415CS..Hα-helixtrans-63.2-38.2174.5-174.3177.2-165.500112F362 K366 I379 E380 F386 S387F362-E383 HydrophobicContact CB-CB 4.43Å; F362-E383 HydrophobicContact CB-CG 4.29Å; F362-E383 HydrophobicContact CD1-CB 4.32Å; F362-E383 HydrophobicContact CD2-CB 4.03Å; F362-E383 HydrophobicContact CD2-CG 3.98Å; F362-E383 HydrophobicContact CE2-CB 4.36Å; F362-E383 HydrophobicContact CG-CB 4.01Å; F362-E383 HydrophobicContact CG-CG 4.18Å; K366-E383 WeakPolarHBondContact CE-OE2 3.47Å; K366-E383 IonicContact NZ-OE2 2.65Å; K366-E383 PolarHBondContact NZ-OE2 3.42Å; I379-E383 WeakPolarHBondContact O-CB 3.45Å; I379-E383 PolarHBondContact O-N 3.29Å; E380-E383 PolarHBondContact O-N 3.21Å; E383-F386 PolarHBondContact O-N 3.02Å; E383-S387 PolarHBondContact O-N 2.99Å; E383-S387 VanDerWaalsContact O-N 3.1Å; E383-S387 PolarHBondContact O-OG 3.21Å; E383-S387 VanDerWaalsContact O-OG 3.12Å
384N84.4Confident80.9Confident95 Ų9566.9 Ų66.951%0.50840%0.4SS..Hα-helixtrans-64.8-41.2173.8-73.2-22000111.5E380 E381 L382 F386 S387 L388E380-N384 WeakPolarHBondContact O-CB 3.07Å; E380-N384 PolarHBondContact O-N 3.45Å; E380-N384 PolarHBondContact O-ND2 3.31Å; E381-N384 PolarHBondContact O-N 2.88Å; L382-N384 VanDerWaalsContact C-N 3.31Å; L382-N384 PolarHBondContact O-N 3.17Å; N384-F386 VanDerWaalsContact C-N 3.31Å; N384-F386 PolarHBondContact O-N 3.12Å; N384-S387 PolarHBondContact O-N 2.73Å; N384-S387 VanDerWaalsContact O-N 3.15Å; N384-L388 WeakPolarHBondContact O-CB 3.25Å; N384-L388 PolarHBondContact O-N 2.99Å
385A84.1Confident81.1Confident50 Ų5066.6 Ų66.641%0.41340%0.397SS..Hα-helixtrans-61.3-38.9176.400000112.3E381 L382 A389E381-A385 WeakPolarHBondContact O-CB 3.48Å; E381-A385 PolarHBondContact O-N 3.38Å; L382-A385 WeakPolarHBondContact O-CB 3.29Å; L382-A385 PolarHBondContact O-N 2.96Å; A385-A389 VanDerWaalsContact O-CB 3.25Å; A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 3.39Å
386F81.9Confident81.4Confident51 Ų5166.9 Ų66.922%0.22438%0.384CS..Hα-helixtrans-63.1-42.2172.8-93.4-92.2000112.3V358 F362 L382 E383 N384 A389 E390 L400V358-F386 HydrophobicContact CG1-CD1 3.97Å; V358-F386 HydrophobicContact CG1-CE1 4.35Å; V358-F386 HydrophobicContact CG1-CG 4.2Å; F362-F386 AromaticContact CE2-CD2 3.94Å; F362-F386 HydrophobicContact CE2-CD2 3.94Å; F362-F386 HydrophobicContact CE2-CE2 4.32Å; F362-F386 HydrophobicContact CE2-CG 4.32Å; F362-F386 AromaticContact CZ-CD2 3.92Å; F362-F386 HydrophobicContact CZ-CD2 3.92Å; F362-F386 HydrophobicContact CZ-CE2 4.06Å; L382-F386 HydrophobicContact CD1-CD2 4.47Å; L382-F386 HydrophobicContact CD1-CE2 4.33Å; L382-F386 HydrophobicContact CG-CD2 4.49Å; L382-F386 HydrophobicContact CG-CE2 4.46Å; L382-F386 WeakPolarHBondContact O-CD2 3.27Å; L382-F386 PolarHBondContact O-N 3.28Å; L382-F386 VanDerWaalsContact O-N 3.1Å; E383-F386 PolarHBondContact O-N 3.02Å; N384-F386 VanDerWaalsContact C-N 3.31Å; N384-F386 PolarHBondContact O-N 3.12Å; F386-A389 PolarHBondContact O-N 3.04Å; F386-E390 WeakPolarHBondContact O-CB 3.43Å; F386-E390 PolarHBondContact O-N 3.03Å; F386-L400 HydrophobicContact CE1-CD2 3.69Å; F386-L400 HydrophobicContact CZ-CD2 3.75Å
387S80.8Confident81.4Confident46 Ų4666.2 Ų66.232%0.32238%0.38SS..Hα-helixtrans-66.3-44.4178.4-58.30000112E383 N384 E390 E391E383-S387 PolarHBondContact O-N 2.99Å; E383-S387 VanDerWaalsContact O-N 3.1Å; E383-S387 PolarHBondContact O-OG 3.21Å; E383-S387 VanDerWaalsContact O-OG 3.12Å; N384-S387 PolarHBondContact O-N 2.73Å; N384-S387 VanDerWaalsContact O-N 3.15Å; S387-E390 PolarHBondContact O-N 3.21Å; S387-E391 WeakPolarHBondContact O-CG 3.49Å; S387-E391 PolarHBondContact O-N 3.07Å
388L81.8Confident81.6Confident102 Ų10267 Ų6753%0.53438%0.376SS..Hα-helixtrans-63.3-40.3175.7-83.1153.7000112.4N384 E390 E391 S392N384-L388 WeakPolarHBondContact O-CB 3.25Å; N384-L388 PolarHBondContact O-N 2.99Å; L388-E390 VanDerWaalsContact C-N 3.33Å; L388-E391 PolarHBondContact O-N 2.85Å; L388-S392 WeakPolarHBondContact O-CB 3.3Å; L388-S392 PolarHBondContact O-N 3.44Å; L388-S392 PolarHBondContact O-OG 3.08Å
389A81.5Confident82Confident37 Ų3772.2 Ų72.231%0.30638%0.383SS..Hα-helixtrans-63.8-39.8175.800000111.5A385 F386 S392 F393 I396A385-A389 VanDerWaalsContact O-CB 3.25Å; A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 3.39Å; F386-A389 PolarHBondContact O-N 3.04Å; A389-S392 PolarHBondContact O-N 3.22Å; A389-F393 PolarHBondContact O-N 3.43Å; A389-I396 HydrophobicContact CB-CG2 4.14Å
390E84.1Confident82Confident17 Ų1774.9 Ų74.98%0.07940%0.397CS..Hα-helixtrans-69.8-35.6177.8-167.865.9-153.300112.6S351 L354 F386 S387 L388 F393 P394 G395 S397S351-E390 VanDerWaalsContact CB-CD 3.49Å; S351-E390 WeakPolarHBondContact CB-OE1 3.31Å; L354-E390 HydrophobicContact CD1-CB 3.97Å; L354-E390 HydrophobicContact CD1-CG 4.05Å; F386-E390 WeakPolarHBondContact O-CB 3.43Å; F386-E390 PolarHBondContact O-N 3.03Å; S387-E390 PolarHBondContact O-N 3.21Å; L388-E390 VanDerWaalsContact C-N 3.33Å; E390-F393 CarbonylContact O-C 3.53Å; E390-P394 WeakPolarHBondContact O-CA 3.16Å; E390-G395 PolarHBondContact OE1-N 3.29Å; E390-S397 WeakPolarHBondContact OE2-CB 3.43Å; E390-S397 PolarHBondContact OE2-N 3Å; E390-S397 VanDerWaalsContact OE2-N 3.16Å; E390-S397 PolarHBondContact OE2-OG 3.32Å
391E79.6Confident81.9Confident152 Ų15272.8 Ų72.871%0.7139%0.39SS*.Hα-helixtrans-68.2-36.3172.8-74.6179.8174.700112.1S387 L388S387-E391 WeakPolarHBondContact O-CG 3.49Å; S387-E391 PolarHBondContact O-N 3.07Å; L388-E391 PolarHBondContact O-N 2.85Å
392S78.3Confident81.9Confident100 Ų10069.2 Ų69.270%0.69938%0.378SS*.Hα-helixtrans-78.1-32.5178.7-550000112.6L388 A389L388-S392 WeakPolarHBondContact O-CB 3.3Å; L388-S392 PolarHBondContact O-N 3.44Å; L388-S392 PolarHBondContact O-OG 3.08Å; A389-S392 PolarHBondContact O-N 3.22Å
393F74.1Confident81.9Confident112 Ų11270.3 Ų70.349%0.49138%0.38SS..SBendtrans-145.491.5-179.4-162.7-88.2000111A389 E390 G395 I396A389-F393 PolarHBondContact O-N 3.43Å; E390-F393 CarbonylContact O-C 3.53Å; F393-G395 PolarHBondContact O-N 3.41Å; F393-I396 HydrophobicContact CB-CB 4.4Å; F393-I396 HydrophobicContact CB-CD1 4.45Å; F393-I396 HydrophobicContact CD1-CB 3.91Å; F393-I396 HydrophobicContact CD1-CD1 4.49Å; F393-I396 HydrophobicContact CD1-CG1 4.46Å; F393-I396 WeakPolarHBondContact O-CB 3.27Å; F393-I396 WeakPolarHBondContact O-CG2 3.5Å; F393-I396 PolarHBondContact O-N 2.95Å
394P83.4Confident81.5Confident72 Ų7273.8 Ų73.847%0.46840%0.398SS..THydrogen-bonded Turntrans-57.3131.6-179.5-26.635.2000112.8E390E390-P394 WeakPolarHBondContact O-CA 3.16Å
395G79.6Confident81.1Confident22 Ų2274.7 Ų74.723%0.22740%0.4CS..THydrogen-bonded Turntrans87.12.5-179.900000115.2E390 F393 S397 D398 R399E390-G395 PolarHBondContact OE1-N 3.29Å; F393-G395 PolarHBondContact O-N 3.41Å; G395-S397 PolarHBondContact O-N 3.23Å; G395-D398 PolarHBondContact O-N 2.65Å; G395-R399 PolarHBondContact O-N 3.06Å
396I83.6Confident80.8Confident66 Ų6676.3 Ų76.334%0.33840%0.399SS..Hα-helixtrans-61-36.8176.5-164.3162.4000111.8A389 F393 R399 L400A389-I396 HydrophobicContact CB-CG2 4.14Å; F393-I396 HydrophobicContact CB-CB 4.4Å; F393-I396 HydrophobicContact CB-CD1 4.45Å; F393-I396 HydrophobicContact CD1-CB 3.91Å; F393-I396 HydrophobicContact CD1-CD1 4.49Å; F393-I396 HydrophobicContact CD1-CG1 4.46Å; F393-I396 WeakPolarHBondContact O-CB 3.27Å; F393-I396 WeakPolarHBondContact O-CG2 3.5Å; F393-I396 PolarHBondContact O-N 2.95Å; I396-R399 PolarHBondContact O-N 3.43Å; I396-L400 PolarHBondContact O-N 3.09Å
397S82.9Confident80.4Confident2 Ų283 Ų831%0.01442%0.423CS..Hα-helixtrans-65.4-41.5179.6-560000111.5C353 L354 E390 G395 R399 L400 V401C353-S397 VanDerWaalsContact SG-CB 3.55Å; C353-S397 PolarHBondContact SG-O 2.94Å; C353-S397 VanDerWaalsContact SG-O 3.4Å; L354-S397 VanDerWaalsContact CD1-OG 3.26Å; L354-S397 WeakPolarHBondContact CD1-OG 3.18Å; E390-S397 WeakPolarHBondContact OE2-CB 3.43Å; E390-S397 PolarHBondContact OE2-N 3Å; E390-S397 VanDerWaalsContact OE2-N 3.16Å; E390-S397 PolarHBondContact OE2-OG 3.32Å; G395-S397 PolarHBondContact O-N 3.23Å; S397-R399 VanDerWaalsContact C-N 3.34Å; S397-R399 PolarHBondContact O-N 3.31Å; S397-L400 PolarHBondContact O-N 3.46Å; S397-V401 WeakPolarHBondContact O-CG2 3.43Å; S397-V401 PolarHBondContact O-N 3.28Å
398D83.7Confident80Confident52 Ų5284.5 Ų84.528%0.27843%0.43SS..Hα-helixtrans-64.6-40179-66.8-50.4000111.1S351 C353 G395 T402S351-D398 WeakPolarHBondContact CB-OD2 3.27Å; S351-D398 PolarHBondContact OG-OD1 2.97Å; S351-D398 PolarHBondContact OG-OD2 3.37Å; C353-D398 WeakPolarHBondContact CB-OD1 3.36Å; C353-D398 PolarHBondContact N-OD1 3.28Å; C353-D398 WeakPolarHBondContact SG-CA 3.42Å; C353-D398 PolarHBondContact SG-N 2.82Å; C353-D398 PolarHBondContact SG-OD1 3.02Å; G395-D398 PolarHBondContact O-N 2.65Å; D398-T402 WeakPolarHBondContact O-CB 3.17Å; D398-T402 PolarHBondContact O-N 3.43Å; D398-T402 PolarHBondContact O-OG1 2.54Å
399R83.6Confident79.4Confident168 Ų16883.4 Ų83.463%0.63443%0.43SS*.Hα-helixtrans-65.5-44.3177.2-74.9-177.2160.7-166-5.2112.2G395 I396 S397 T402 H403G395-R399 PolarHBondContact O-N 3.06Å; I396-R399 PolarHBondContact O-N 3.43Å; S397-R399 VanDerWaalsContact C-N 3.34Å; S397-R399 PolarHBondContact O-N 3.31Å; R399-T402 PolarHBondContact O-N 3.4Å; R399-H403 PolarHBondContact O-N 2.94Å; R399-H403 PolarHBondContact O-ND1 3.41Å; R399-H403 VanDerWaalsContact O-ND1 3.09Å
400L83.7Confident78.3Confident80 Ų8090.3 Ų90.342%0.41945%0.448SS..Hα-helixtrans-61.3-49.4178.3-179.167.4000111.1F386 I396 S397 T402 H403 M404F386-L400 HydrophobicContact CE1-CD2 3.69Å; F386-L400 HydrophobicContact CZ-CD2 3.75Å; I396-L400 PolarHBondContact O-N 3.09Å; S397-L400 PolarHBondContact O-N 3.46Å; L400-T402 VanDerWaalsContact C-N 3.33Å; L400-T402 PolarHBondContact O-N 3.28Å; L400-H403 PolarHBondContact O-N 3.19Å; L400-M404 HydrophobicContact CG-SD 4.29Å; L400-M404 WeakPolarHBondContact O-CG 3.28Å; L400-M404 PolarHBondContact O-N 3.41Å
401V80.8Confident76.9Confident28 Ų2893.6 Ų93.617%0.1747%0.472CS..Hα-helixtrans-63.8-40.6-179.5173.60000111C353 L357 V358 S397 M404 M405C353-V401 HydrophobicContact CB-CG2 4.47Å; L357-V401 HydrophobicContact CD1-CG1 4.03Å; V358-V401 HydrophobicContact CG2-CG2 4.33Å; S397-V401 WeakPolarHBondContact O-CG2 3.43Å; S397-V401 PolarHBondContact O-N 3.28Å; V401-M404 PolarHBondContact O-N 3.47Å; V401-M405 HydrophobicContact CG1-CG 4.42Å; V401-M405 WeakPolarHBondContact O-CB 3.48Å; V401-M405 WeakPolarHBondContact O-CG 3.31Å; V401-M405 PolarHBondContact O-N 3.23Å
402T82.3Confident75.5Confident72 Ų7295.8 Ų95.844%0.44247%0.474SS..Hα-helixtrans-59.2-49.5175.5-59.70000111.4D398 R399 L400 M404 M405 E406D398-T402 WeakPolarHBondContact O-CB 3.17Å; D398-T402 PolarHBondContact O-N 3.43Å; D398-T402 PolarHBondContact O-OG1 2.54Å; R399-T402 PolarHBondContact O-N 3.4Å; L400-T402 VanDerWaalsContact C-N 3.33Å; L400-T402 PolarHBondContact O-N 3.28Å; T402-M404 VanDerWaalsContact C-N 3.32Å; T402-M404 PolarHBondContact O-N 3.17Å; T402-M405 PolarHBondContact O-N 2.97Å; T402-E406 WeakPolarHBondContact O-CG 3.38Å; T402-E406 PolarHBondContact O-N 3.36Å
403H80.6Confident73.9Confident114 Ų11497.8 Ų97.853%0.52847%0.47SS..Hα-helixtrans-63.6-36.9178.2-82.963.1000112.8R399 L400 R407R399-H403 PolarHBondContact O-N 2.94Å; R399-H403 PolarHBondContact O-ND1 3.41Å; R399-H403 VanDerWaalsContact O-ND1 3.09Å; L400-H403 PolarHBondContact O-N 3.19Å; H403-R407 WeakPolarHBondContact O-CG 3.47Å; H403-R407 PolarHBondContact O-N 3.32Å
404M77.1Confident72.6Confident112 Ų112102.4 Ų102.455%0.55248%0.484SS*.Hα-helixtrans-64.8-44.3174.5-72.7-17773.500111.4L400 V401 T402 R407 V408L400-M404 HydrophobicContact CG-SD 4.29Å; L400-M404 WeakPolarHBondContact O-CG 3.28Å; L400-M404 PolarHBondContact O-N 3.41Å; V401-M404 PolarHBondContact O-N 3.47Å; T402-M404 VanDerWaalsContact C-N 3.32Å; T402-M404 PolarHBondContact O-N 3.17Å; M404-R407 PolarHBondContact O-N 3.16Å; M404-V408 VanDerWaalsContact O-CG2 3.29Å; M404-V408 WeakPolarHBondContact O-CG2 3.4Å; M404-V408 PolarHBondContact O-N 3.28Å
405M76.6Confident70.6Confident113 Ų113108.3 Ų108.356%0.55750%0.497SS*.Hα-helixtrans-62.1-43.7176.5-77.3-73.6134.600111.5V401 T402 R407 V408 C409V401-M405 HydrophobicContact CG1-CG 4.42Å; V401-M405 WeakPolarHBondContact O-CB 3.48Å; V401-M405 WeakPolarHBondContact O-CG 3.31Å; V401-M405 PolarHBondContact O-N 3.23Å; T402-M405 PolarHBondContact O-N 2.97Å; M405-R407 PolarHBondContact O-N 3.3Å; M405-V408 PolarHBondContact O-N 3.02Å; M405-C409 VanDerWaalsContact O-CB 3.27Å; M405-C409 WeakPolarHBondContact O-CB 3.5Å; M405-C409 PolarHBondContact O-N 3.43Å; M405-C409 PolarHBondContact O-SG 2.96Å; M405-C409 VanDerWaalsContact O-SG 3.32Å
406E76Confident68.7Low85 Ų85116.8 Ų116.840%0.39752%0.522SS..Hα-helixtrans-59.1-45175.2-74.4175.8-171.900112T402 C409 R410T402-E406 WeakPolarHBondContact O-CG 3.38Å; T402-E406 PolarHBondContact O-N 3.36Å; E406-C409 PolarHBondContact O-N 2.96Å; E406-R410 WeakPolarHBondContact O-CB 3.19Å; E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.21Å
407R73.9Confident66.6Low192 Ų192121.1 Ų121.173%0.72554%0.539SS*.Hα-helixtrans-64.5-41.2176.8-78-175.6170.7-170.9-1.9112.6H403 M404 M405 C411H403-R407 WeakPolarHBondContact O-CG 3.47Å; H403-R407 PolarHBondContact O-N 3.32Å; M404-R407 PolarHBondContact O-N 3.16Å; M405-R407 PolarHBondContact O-N 3.3Å; R407-C411 PolarHBondContact O-N 3.45Å; R407-C411 VanDerWaalsContact O-N 3.08Å; R407-C411 PolarHBondContact O-SG 3.28Å
408V73.6Confident64.8Low77 Ų77126.4 Ų126.447%0.46757%0.571SS.*Hα-helixtrans-69.6-39.5178.5172.80000111.4M404 M405 C411 R412M404-V408 VanDerWaalsContact O-CG2 3.29Å; M404-V408 WeakPolarHBondContact O-CG2 3.4Å; M404-V408 PolarHBondContact O-N 3.28Å; M405-V408 PolarHBondContact O-N 3.02Å; V408-C411 PolarHBondContact O-N 3.4Å; V408-R412 PolarHBondContact O-N 2.99Å
409C67.8Low62.8Low78 Ų78130.9 Ų130.953%0.52759%0.594SS.*Hα-helixtrans-64.7-42.8175.3-75.80000112M405 E406 C411 R412 F413M405-C409 VanDerWaalsContact O-CB 3.27Å; M405-C409 WeakPolarHBondContact O-CB 3.5Å; M405-C409 PolarHBondContact O-N 3.43Å; M405-C409 PolarHBondContact O-SG 2.96Å; M405-C409 VanDerWaalsContact O-SG 3.32Å; E406-C409 PolarHBondContact O-N 2.96Å; C409-C411 VanDerWaalsContact C-N 3.32Å; C409-C411 PolarHBondContact O-N 2.94Å; C409-R412 PolarHBondContact O-N 2.87Å; C409-F413 PolarHBondContact O-N 3.4Å
410R59.9Low60.8Low183 Ų183130.1 Ų130.169%0.69160%0.603SS**Hα-helixtrans-60.3-40.1172.5-72.8-177.6-155.1-155.57.3112E406 F413 R414E406-R410 WeakPolarHBondContact O-CB 3.19Å; E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.21Å; R410-F413 PolarHBondContact O-N 2.97Å; R410-R414 PolarHBondContact O-N 3.03Å
411C54.2Low58.7Low86 Ų86129.2 Ų129.258%0.58161%0.613SS**Hα-helixtrans-67.3-35.5176.1-70.40000113.4R407 V408 C409 R415R407-C411 PolarHBondContact O-N 3.45Å; R407-C411 VanDerWaalsContact O-N 3.08Å; R407-C411 PolarHBondContact O-SG 3.28Å; V408-C411 PolarHBondContact O-N 3.4Å; C409-C411 VanDerWaalsContact C-N 3.32Å; C409-C411 PolarHBondContact O-N 2.94Å; C411-R415 PolarHBondContact O-N 3.36Å
412R49.7Very low56.9Low197 Ų197135.5 Ų135.574%0.74365%0.646SS**Hα-helixtrans-70.7-35.5174.9-89.6-175.2162.7178.5-3.4112.7V408 C409 R415 R416V408-R412 PolarHBondContact O-N 2.99Å; C409-R412 PolarHBondContact O-N 2.87Å; R412-R415 PolarHBondContact O-N 3.12Å; R412-R416 PolarHBondContact O-N 3.26Å
413F44.3Very low54.6Low142 Ų142141 Ų14162%0.62367%0.669SS**Hα-helixtrans-66-41.4176-132.6-98.4000111.6C409 R410 R415 R416 F417C409-F413 PolarHBondContact O-N 3.4Å; R410-F413 PolarHBondContact O-N 2.97Å; F413-R415 PolarHBondContact O-N 2.91Å; F413-R416 PolarHBondContact O-N 3.43Å; F413-F417 HydrophobicContact CD1-CD2 4.29Å; F413-F417 AromaticContact CD1-CE2 3.91Å; F413-F417 HydrophobicContact CD1-CE2 3.91Å; F413-F417 AromaticContact CE1-CE2 3.78Å; F413-F417 HydrophobicContact CE1-CE2 3.78Å
414R46.8Very low52.6Low209 Ų209141.8 Ų141.879%0.78968%0.682SS**Hα-helixtrans-61.5-37.8174.8-108.7-177.2176-168.10113.6R410 R416 T418R410-R414 PolarHBondContact O-N 3.03Å; R414-R416 VanDerWaalsContact C-N 3.34Å; R414-R416 PolarHBondContact O-N 3.42Å; R414-T418 PolarHBondContact O-OG1 3.25Å
415R42.7Very low50.8Low196 Ų196142.8 Ų142.874%0.7470%0.697SS**Hα-helixtrans-70.7-24.2177.3-82.8-173.7176.2-178.30114.2C411 R412 F413 T418C411-R415 PolarHBondContact O-N 3.36Å; R412-R415 PolarHBondContact O-N 3.12Å; F413-R415 PolarHBondContact O-N 2.91Å; R415-T418 PolarHBondContact O-OG1 2.65Å
416R38.1Very low48.8Very low200 Ų200142.1 Ų142.176%0.75570%0.703SS**Hα-helixtrans-77.7-30.6179.6-137.7175.8-167.6167.62112.3R412 F413 R414R412-R416 PolarHBondContact O-N 3.26Å; F413-R416 PolarHBondContact O-N 3.43Å; R414-R416 VanDerWaalsContact C-N 3.34Å; R414-R416 PolarHBondContact O-N 3.42Å
417F40.2Very low47Very low158 Ų158143 Ų14369%0.69372%0.719SS**Hα-helixtrans-75.8-27.1175.7-87.1-85.7000113.7F413 L419F413-F417 HydrophobicContact CD1-CD2 4.29Å; F413-F417 AromaticContact CD1-CE2 3.91Å; F413-F417 HydrophobicContact CD1-CE2 3.91Å; F413-F417 AromaticContact CE1-CE2 3.78Å; F413-F417 HydrophobicContact CE1-CE2 3.78Å; F417-L419 VanDerWaalsContact C-N 3.32Å; F417-L419 PolarHBondContact O-N 2.98Å
418T45.2Very low45.2Very low112 Ų112149.1 Ų149.169%0.68774%0.742SS**THydrogen-bonded Turntrans-77.8-10.3178.3450000114.7R414 R415R414-T418 PolarHBondContact O-OG1 3.25Å; R415-T418 PolarHBondContact O-OG1 2.65Å
419L42.7Very low43.8Very low146 Ų146152.7 Ų152.776%0.76476%0.755SS**SBendtrans-100.7-12.7-177.6-83.9159.6000114.8F417F417-L419 VanDerWaalsContact C-N 3.32Å; F417-L419 PolarHBondContact O-N 2.98Å
420N41Very low42.5Very low152 Ų152156.6 Ų156.681%0.81377%0.767SS**SBendtrans-108.210.8-178.9-85.510.6000114.4
421G38.9Very low41.5Very low62 Ų62155.2 Ų155.264%0.63977%0.772SS**  trans-9316.9-171.900000117
422N42.7Very low40.8Very low159 Ų159159.2 Ų159.285%0.8578%0.783SS**  trans-135.282.8177.1-94.1-7.8000111.5
423M34.8Very low40.2Very low189 Ų189156.9 Ų156.993%0.93179%0.785SS**  trans-147.6110.5145.9-88-144.3150.700110.3
424T39Very low40Very low129 Ų129157.9 Ų157.979%0.79180%0.796SS**  trans-62.2140.4163.9440000110.9S426T424-S426 PolarHBondContact O-N 3.45Å
425P39.6Very low39.5Very low134 Ų134154.2 Ų154.287%0.8780%0.797SS**  trans-81.5117171.131.3-27.9000109.7
426S33.5Very low39.2Very low98 Ų98151 Ų15169%0.68580%0.801SS**  trans-115.1109.4166.9162.50000109.2T424T424-S426 PolarHBondContact O-N 3.45Å
427S39.2Very low39.3Very low104 Ų104146.9 Ų146.973%0.72781%0.805SS**  trans21.2110.2144.233.90000119
428R35.2Very low39.2Very low320 Ų320145.9 Ų145.9100%1.20882%0.815SS**  -169.30110-105.8-177.8-176.7-1731.6111.2

Retrieved 428 of 428 residues in 384.4 ms (Link to these results)

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