A0A096NRK0_PAPAN Loading...

Ganglioside-induced differentiation-associated protein 1

Regulates the mitochondrial network by promoting mitochondrial fission.

AlphaFold DB , UniProt , Accession A0A096NRK0, Species PAPAN (Papio anubis, Olive baboon), Gene GDAP1, Length 358 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
1M37Very low36.1Very low250 Ų250165.3 Ų165.3100%1.23288%0.877SS**  01440-84.2-165.5169.500108.6
2A39.3Very low36.2Very low112 Ų112160.8 Ų160.893%0.92687%0.865SS**  trans-62.9153.5-164.400000115.4
3G32.9Very low36.2Very low76 Ų76157.8 Ų157.878%0.78486%0.859SS**  trans-169.391.8164.200000110.7
4R37Very low36.2Very low233 Ų233158.9 Ų158.988%0.87986%0.862SS**  trans-58.6137.3174.1-74.5173.1178.9171.2-0.8110.8
5Q36.9Very low36.1Very low199 Ų199163.9 Ų163.993%0.9386%0.864SS**  trans-111.7117.2155.3-82.5-178.2-15.300107.8
6E37.1Very low36.3Very low178 Ų178159.4 Ų159.483%0.83286%0.857SS**  trans-75.3135.7176.5-77.8174.5154.800110.9
7E37Very low36.3Very low169 Ų169161.4 Ų161.479%0.7986%0.86SS**  trans-63122.7168.6-74.5174.6120.200111.1
8Q35.8Very low36.3Very low195 Ų195156.1 Ų156.191%0.91185%0.85SS**  trans-101.4101.1154.5-85.4-179-7.500108.9G10Q8-G10 PolarHBondContact O-N 3.12Å; Q8-G10 VanDerWaalsContact O-N 3.12Å
9R35.6Very low36.3Very low221 Ų221158.5 Ų158.583%0.83485%0.852SS**  trans-66.3101.8163.6-82.1-177.7-172-1692.1108.7S11R9-S11 PolarHBondContact O-N 3.5Å
10G32.3Very low36.5Very low73 Ų73155.3 Ų155.375%0.75385%0.848SS**PPolyproline II helixtrans-71.3120.9163.800000110.1Q8Q8-G10 PolarHBondContact O-N 3.12Å; Q8-G10 VanDerWaalsContact O-N 3.12Å
11S36.7Very low36.8Very low112 Ų112155.6 Ų155.678%0.78385%0.849SS**PPolyproline II helixtrans-55.1142.7168.4-53.10000110.5R9R9-S11 PolarHBondContact O-N 3.5Å
12P36.2Very low37.7Very low112 Ų112147.7 Ų147.773%0.72782%0.823SS**PPolyproline II helixtrans-66.8144.4175.923.8-22.6000109L14P12-L14 PolarHBondContact O-N 3.22Å
13P36.8Very low39.3Very low121 Ų121150 Ų15079%0.78682%0.815SS**PPolyproline II helixtrans-60.6128.4177.724.4-30.5000108.4R15P13-R15 PolarHBondContact O-N 2.86Å
14L36.1Very low41.8Very low173 Ų173150 Ų15091%0.90680%0.799SS**  trans-53.2105.4167-87.9103.2000107.1P12 A16P12-L14 PolarHBondContact O-N 3.22Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 2.95Å
15R34.9Very low44.5Very low235 Ų235144.6 Ų144.689%0.88778%0.782SS**  trans-59106.6158.1-84.5-178.6166.9176.4-4104.9P13 E17P13-R15 PolarHBondContact O-N 2.86Å; R15-E17 VanDerWaalsContact C-N 3.35Å; R15-E17 PolarHBondContact O-N 2.95Å
16A38.7Very low47.3Very low92 Ų92135.4 Ų135.476%0.7674%0.739SS**  trans-51.4111158.500000105.4L14 G18L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 2.95Å; A16-G18 PolarHBondContact O-N 2.78Å
17E36.1Very low50.2Low192 Ų192128.4 Ų128.490%0.89771%0.707SS**  trans-57.496.1167.4-70.7-178.3158.900105.8R15 K19R15-E17 VanDerWaalsContact C-N 3.35Å; R15-E17 PolarHBondContact O-N 2.95Å; E17-K19 PolarHBondContact O-N 3.14Å; E17-K19 VanDerWaalsContact O-N 3.14Å
18G36.1Very low53.2Low67 Ų67120.3 Ų120.369%0.69167%0.67SS**  trans-56.212117400000106.8A16 A20A16-G18 PolarHBondContact O-N 2.78Å; G18-A20 PolarHBondContact O-N 3.12Å; G18-A20 VanDerWaalsContact O-N 3.12Å
19K36.8Very low56.2Low201 Ų201113.2 Ų113.287%0.87464%0.635SS**  trans-34.7122.1161.5-82.2173.5170.5176.10107.9E17 D21E17-K19 PolarHBondContact O-N 3.14Å; E17-K19 VanDerWaalsContact O-N 3.14Å; K19-D21 PolarHBondContact O-N 2.94Å; K19-D21 VanDerWaalsContact O-N 3.1Å
20A40.4Very low59.1Low94 Ų94103 Ų10378%0.77760%0.596SS**  trans-44.3123.6166.300000107.9G18 A22G18-A20 PolarHBondContact O-N 3.12Å; G18-A20 VanDerWaalsContact O-N 3.12Å; A20-A22 PolarHBondContact O-N 3.03Å
21D43.2Very low62.2Low163 Ų163101.6 Ų101.687%0.87257%0.568SS**  trans-51.1107.9-177.7-139.31.4000107.5K19 E23K19-D21 PolarHBondContact O-N 2.94Å; K19-D21 VanDerWaalsContact O-N 3.1Å; D21-E23 PolarHBondContact O-N 2.83Å
22A55.1Low64.9Low83 Ų8397.7 Ų97.769%0.68654%0.54SS*.  trans-67.2111.9179.600000106.1A20 V24A20-A22 PolarHBondContact O-N 3.03Å; A22-V24 PolarHBondContact O-N 3.11Å
23E74.4Confident67.5Low162 Ų16292.8 Ų92.876%0.75751%0.507SS*.  trans-45.6111.2178.9-169.4180178.900108.9D21 K25D21-E23 PolarHBondContact O-N 2.83Å; E23-K25 PolarHBondContact O-N 3.3Å; E23-K25 VanDerWaalsContact O-N 3.13Å
24V84.9Confident70.3Confident75 Ų7587.8 Ų87.846%0.45548%0.475SS..PPolyproline II helixtrans-64.2119.4-173.2179.10000107.8A22 L26A22-V24 PolarHBondContact O-N 3.11Å; V24-L26 PolarHBondContact O-N 3.12Å
25K92.9Very high73.2Confident119 Ų11980.9 Ų80.952%0.51744%0.438SS..PPolyproline II helixtrans-67.5130.8-171.8-160.8178-168.2-172.80110.7E23 I27 E52E23-K25 PolarHBondContact O-N 3.3Å; E23-K25 VanDerWaalsContact O-N 3.13Å; K25-I27 HydrophobicContact CB-CG1 4.47Å; K25-I27 HydrophobicContact CD-CD1 4.4Å; K25-I27 HydrophobicContact CD-CG1 4.26Å; K25-I27 HydrophobicContact CG-CG1 4.14Å; K25-E52 WeakPolarHBondContact CD-OE2 3.42Å; K25-E52 WeakPolarHBondContact CE-OE2 3.44Å; K25-E52 IonicContact NZ-OE1 3.31Å; K25-E52 PolarHBondContact NZ-OE1 2.88Å; K25-E52 IonicContact NZ-OE2 3.02Å; K25-E52 PolarHBondContact NZ-OE2 3.1Å
26L96.8Very high76.2Confident6 Ų672 Ų723%0.03141%0.412CS..EExtended strand (participates in β ladder)trans-87.8119.1170.8-170.267.7000109.2V24 L49 C51 E52 L80 H82 L97 F101V24-L26 PolarHBondContact O-N 3.12Å; L26-L49 HydrophobicContact CD2-CB 4.18Å; L26-L49 HydrophobicContact CD2-CD1 4.17Å; L26-C51 HydrophobicContact CD2-CB 4.09Å; L26-C51 HydrophobicContact CG-CB 4.4Å; L26-C51 CarbonylContact O-C 3.59Å; L26-C51 WeakPolarHBondContact O-CA 3.12Å; L26-E52 PolarHBondContact O-N 3.04Å; L26-L80 HydrophobicContact CD1-CD1 3.69Å; L26-L80 HydrophobicContact CD1-CD2 3.86Å; L26-L80 HydrophobicContact CD1-CG 3.98Å; L26-L80 HydrophobicContact CG-CD1 4.06Å; L26-H82 HydrophobicContact CD1-CB 3.89Å; L26-L97 HydrophobicContact CD1-CD2 4.16Å; L26-L97 HydrophobicContact CD2-CD2 4.05Å; L26-F101 HydrophobicContact CD1-CE2 4.33Å; L26-F101 HydrophobicContact CD1-CZ 4.28Å; L26-F101 HydrophobicContact CD2-CE2 4.42Å; L26-F101 HydrophobicContact CD2-CZ 4.37Å
27I98.4Very high79Confident31 Ų3167.6 Ų67.616%0.15938%0.375CS..EExtended strand (participates in β ladder)trans-122134-176.7-54.1175.4000109.4K25 Y29 E52 H54 L80 I81K25-I27 HydrophobicContact CB-CG1 4.47Å; K25-I27 HydrophobicContact CD-CD1 4.4Å; K25-I27 HydrophobicContact CD-CG1 4.26Å; K25-I27 HydrophobicContact CG-CG1 4.14Å; I27-Y29 HydrophobicContact CG2-CD2 4.39Å; I27-Y29 HydrophobicContact CG2-CE2 3.91Å; I27-E52 CarbonylContact C-O 3.58Å; I27-E52 WeakPolarHBondContact CA-O 3.36Å; I27-E52 HydrophobicContact CG1-CB 4.33Å; I27-H54 WeakPolarHBondContact CG2-CD2 3.26Å; I27-L80 CarbonylContact O-C 3.46Å; I27-L80 WeakPolarHBondContact O-CA 3.38Å; I27-I81 HydrophobicContact CB-CB 4.27Å; I27-I81 PolarHBondContact N-O 2.92Å; I27-I81 PolarHBondContact O-N 2.88Å
28L98.7Very high81.9Confident0 Ų058.5 Ų58.50%033%0.333CS..EExtended strand (participates in β ladder)trans-124.4113.9178.7-174.977.4000110.7H30 V40 R41 I44 C51 E52 E53 H54 P78 L80L28-H30 HydrophobicContact CD2-CB 3.91Å; L28-H30 HydrophobicContact CG-CB 4.04Å; L28-V40 HydrophobicContact CD1-CG1 3.64Å; L28-V40 HydrophobicContact CD2-CG1 4.19Å; L28-R41 HydrophobicContact CD2-CG 3.59Å; L28-I44 HydrophobicContact CD1-CD1 4.38Å; L28-I44 HydrophobicContact CD2-CD1 3.93Å; L28-C51 VanDerWaalsContact CB-SG 3.54Å; L28-E52 PolarHBondContact N-O 2.73Å; L28-E53 HydrophobicContact CD2-CG 4.47Å; L28-E53 WeakPolarHBondContact O-CA 3.47Å; L28-H54 PolarHBondContact O-N 3.48Å; L28-P78 HydrophobicContact CD1-CB 3.79Å; L28-P78 HydrophobicContact CG-CB 4.42Å; L28-L80 HydrophobicContact CB-CD1 4.41Å; L28-L80 HydrophobicContact CD1-CB 4.45Å; L28-L80 HydrophobicContact CD1-CD1 3.91Å
29Y98.6Very high84.9Confident46 Ų4655.7 Ų55.718%0.1830%0.302CS..EExtended strand (participates in β ladder)trans-85119.7163.9-64.4-90.9000109I27 H54 V56 W67 F68 L71 P78 V79 I81I27-Y29 HydrophobicContact CG2-CD2 4.39Å; I27-Y29 HydrophobicContact CG2-CE2 3.91Å; Y29-H54 VanDerWaalsContact CA-O 3.32Å; Y29-H54 WeakPolarHBondContact CA-O 3.39Å; Y29-H54 HydrophobicContact CD1-CB 3.55Å; Y29-H54 HydrophobicContact CE1-CB 3.71Å; Y29-H54 AromaticContact CE1-CD2 3.69Å; Y29-H54 AromaticContact CE1-CG 3.92Å; Y29-H54 HydrophobicContact CG-CB 4.26Å; Y29-H54 AromaticContact CZ-CD2 3.69Å; Y29-V56 HydrophobicContact CD1-CG2 4Å; Y29-V56 HydrophobicContact CG-CG2 4.49Å; Y29-W67 HydrophobicContact CD1-CH2 4.12Å; Y29-W67 AromaticContact CD1-CZ3 3.96Å; Y29-W67 HydrophobicContact CD1-CZ3 3.96Å; Y29-W67 HydrophobicContact CE1-CH2 4.18Å; Y29-W67 AromaticContact CE1-CZ3 3.77Å; Y29-W67 HydrophobicContact CE1-CZ3 3.77Å; Y29-F68 HydrophobicContact CG-CE2 4.44Å; Y29-L71 HydrophobicContact CD2-CD1 4.25Å; Y29-L71 HydrophobicContact CE2-CD1 4.04Å; Y29-P78 CarbonylContact O-C 3.47Å; Y29-P78 WeakPolarHBondContact O-CA 3.17Å; Y29-P78 WeakPolarHBondContact O-CB 3.45Å; Y29-V79 PolarHBondContact N-O 2.66Å; Y29-V79 PolarHBondContact O-N 2.83Å; Y29-I81 HydrophobicContact CD2-CD1 4.33Å; Y29-I81 HydrophobicContact CE2-CD1 3.69Å; Y29-I81 HydrophobicContact CE2-CG1 4.33Å
30H98.1Very high87.8Confident5 Ų546.1 Ų46.12%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-145.6172.3-173.57484.9000111.8L28 R41 E53 H54 D55 V56 P78L28-H30 HydrophobicContact CD2-CB 3.91Å; L28-H30 HydrophobicContact CG-CB 4.04Å; H30-R41 PolarHBondContact CE1-NE 3.13Å; H30-R41 VanDerWaalsContact CE1-NE 3.31Å; H30-R41 WeakPolarHBondContact ND1-CD 3.39Å; H30-E53 IonicContact CD2-OE2 2.79Å; H30-E53 IonicContact CE1-OE2 3.39Å; H30-E53 WeakPolarHBondContact NE2-CB 3.44Å; H30-E53 IonicContact NE2-OE2 3.89Å; H30-E53 PolarHBondContact NE2-OE2 3.13Å; H30-E53 VanDerWaalsContact NE2-OE2 3.13Å; H30-H54 PolarHBondContact N-O 2.76Å; H30-D55 IonicContact CE1-OD2 3.64Å; H30-D55 IonicContact ND1-OD2 2.98Å; H30-D55 CarbonylContact O-C 3.59Å; H30-D55 VanDerWaalsContact O-CA 3.25Å; H30-D55 WeakPolarHBondContact O-CA 3.49Å; H30-V56 PolarHBondContact O-N 3.38Å; H30-P78 HydrophobicContact CB-CB 4.2Å
31W95.8Very high90.6Very high44 Ų4443 Ų4317%0.16723%0.228CC..  trans-125.7130.2162.6-177.149.2000109.7H33 S34 S37 V56 L58 P59 V77W31-H33 HydrophobicContact CD2-CB 3.82Å; W31-H33 HydrophobicContact CE3-CB 3.7Å; W31-H33 HydrophobicContact CH2-CB 3.42Å; W31-H33 VanDerWaalsContact CH2-CB 3.42Å; W31-H33 HydrophobicContact CZ2-CB 3.51Å; W31-H33 HydrophobicContact CZ3-CB 3.51Å; W31-H33 PolarHBondContact O-N 3.02Å; W31-S34 VanDerWaalsContact CE3-N 3.31Å; W31-S34 PolarHBondContact O-N 2.98Å; W31-S37 PolarHBondContact N-OG 3.27Å; W31-S37 WeakPolarHBondContact O-CB 3.05Å; W31-V56 WeakPolarHBondContact CB-O 3.47Å; W31-L58 HydrophobicContact CB-CD1 3.74Å; W31-L58 HydrophobicContact CD2-CB 3.97Å; W31-L58 HydrophobicContact CD2-CD1 4.11Å; W31-L58 HydrophobicContact CD2-CD2 4.41Å; W31-L58 HydrophobicContact CD2-CG 4.38Å; W31-L58 HydrophobicContact CE3-CB 3.9Å; W31-L58 HydrophobicContact CE3-CD1 4.14Å; W31-L58 HydrophobicContact CE3-CD2 3.66Å; W31-L58 HydrophobicContact CE3-CG 4.1Å; W31-L58 HydrophobicContact CG-CD1 3.98Å; W31-L58 HydrophobicContact CH2-CB 4.35Å; W31-L58 HydrophobicContact CZ2-CB 4.44Å; W31-L58 HydrophobicContact CZ3-CB 4.09Å; W31-L58 HydrophobicContact CZ3-CD2 3.95Å; W31-P59 HydrophobicContact CH2-CG 4.28Å; W31-P59 VanDerWaalsContact CZ2-CD 3.41Å; W31-P59 HydrophobicContact CZ2-CG 3.57Å; W31-V77 HydrophobicContact CB-CG2 3.95Å
32T93.4Very high93.2Very high30 Ų3035.2 Ų35.218%0.18419%0.187CC..THydrogen-bonded Turntrans-53.7-28.7-174.7-60.70000113.7Q38 D55 V296T32-Q38 WeakPolarHBondContact O-CG 3.48Å; T32-Q38 PolarHBondContact O-NE2 3.17Å; T32-D55 PolarHBondContact N-OD2 3.42Å; T32-D55 VanDerWaalsContact N-OD2 3.14Å; T32-D55 PolarHBondContact OG1-OD2 2.97Å; T32-V296 HydrophobicContact CG2-CG2 3.99Å
33H91.9Very high95.3Very high9 Ų931.3 Ų31.34%0.04215%0.154CC..THydrogen-bonded Turntrans-99.1-1.5179.3-75.4-90.3000114.9W31 R257 V296 S302 A303W31-H33 HydrophobicContact CD2-CB 3.82Å; W31-H33 HydrophobicContact CE3-CB 3.7Å; W31-H33 HydrophobicContact CH2-CB 3.42Å; W31-H33 VanDerWaalsContact CH2-CB 3.42Å; W31-H33 HydrophobicContact CZ2-CB 3.51Å; W31-H33 HydrophobicContact CZ3-CB 3.51Å; W31-H33 PolarHBondContact O-N 3.02Å; H33-R257 PolarHBondContact O-NH1 3.21Å; H33-R257 PolarHBondContact O-NH2 2.96Å; H33-V296 PolarHBondContact CE1-O 2.78Å; H33-S302 PolarHBondContact CE1-OG 2.97Å; H33-S302 VanDerWaalsContact NE2-C 3.31Å; H33-S302 VanDerWaalsContact NE2-CB 3.34Å; H33-S302 WeakPolarHBondContact NE2-CB 3.33Å; H33-S302 PolarHBondContact NE2-O 3.28Å; H33-S302 PolarHBondContact NE2-OG 3.16Å; H33-A303 WeakPolarHBondContact NE2-CB 3.4Å
34S95.3Very high96.5Very high17 Ų1723.9 Ų23.912%0.11912%0.119CC..  trans-73.8130.9171.7161.30000109.3W31 S36 S37 Q38 V77W31-S34 VanDerWaalsContact CE3-N 3.31Å; W31-S34 PolarHBondContact O-N 2.98Å; S34-S36 PolarHBondContact OG-N 3.44Å; S34-S37 WeakPolarHBondContact CB-OG 3.29Å; S34-S37 WeakPolarHBondContact O-CB 3.22Å; S34-S37 PolarHBondContact O-N 3.42Å; S34-S37 PolarHBondContact OG-N 3.24Å; S34-S37 PolarHBondContact OG-OG 2.95Å; S34-Q38 VanDerWaalsContact O-CG 3.28Å; S34-Q38 WeakPolarHBondContact O-CG 3.2Å; S34-Q38 PolarHBondContact O-N 3.46Å; S34-V77 PolarHBondContact OG-O 3.47Å
35F96.6Very high97.1Very high28 Ų2821.3 Ų21.312%0.12311%0.106CC..Hα-helixtrans-59.1-48.3178.3174.4-98.4000111.5S37 Q38 K39 M133 V253 R257F35-S37 VanDerWaalsContact C-N 3.31Å; F35-S37 PolarHBondContact O-N 2.72Å; F35-Q38 WeakPolarHBondContact O-CB 3.43Å; F35-Q38 PolarHBondContact O-N 2.95Å; F35-Q38 VanDerWaalsContact O-N 3.15Å; F35-K39 HydrophobicContact CD1-CD 4.47Å; F35-K39 HydrophobicContact CE1-CD 3.73Å; F35-K39 HydrophobicContact CE1-CG 4.43Å; F35-K39 HydrophobicContact CZ-CD 3.94Å; F35-K39 HydrophobicContact CZ-CG 4.4Å; F35-K39 PolarHBondContact O-N 3.25Å; F35-M133 HydrophobicContact CD1-CB 3.85Å; F35-M133 HydrophobicContact CD1-CG 3.96Å; F35-M133 HydrophobicContact CD2-CB 4.35Å; F35-M133 HydrophobicContact CD2-CE 4.21Å; F35-M133 HydrophobicContact CD2-CG 4.26Å; F35-M133 HydrophobicContact CE1-CB 4.02Å; F35-M133 HydrophobicContact CE1-CG 3.59Å; F35-M133 HydrophobicContact CE2-CB 4.49Å; F35-M133 HydrophobicContact CE2-CE 4Å; F35-M133 HydrophobicContact CE2-CG 3.91Å; F35-M133 HydrophobicContact CE2-SD 4.48Å; F35-M133 HydrophobicContact CG-CB 4.03Å; F35-M133 HydrophobicContact CG-CG 4.28Å; F35-M133 HydrophobicContact CZ-CB 4.35Å; F35-M133 HydrophobicContact CZ-CG 3.58Å; F35-M133 HydrophobicContact CZ-SD 4.48Å; F35-V253 HydrophobicContact CD2-CG1 3.76Å; F35-V253 HydrophobicContact CE2-CB 4.22Å; F35-V253 HydrophobicContact CE2-CG1 3.59Å; F35-V253 HydrophobicContact CZ-CG1 4.35Å; F35-R257 HydrophobicContact CD2-CB 3.95Å; F35-R257 HydrophobicContact CD2-CG 4.11Å; F35-R257 HydrophobicContact CE2-CB 4.24Å
36S97.3Very high97.3Very high47 Ų4716.6 Ų16.633%0.3299%0.086SC..Hα-helixtrans-62.6-38.7177.7-53.40000112S34 K39 V40S34-S36 PolarHBondContact OG-N 3.44Å; S36-K39 PolarHBondContact O-N 3.26Å; S36-V40 PolarHBondContact O-N 2.95Å
37S98.1Very high97.3Very high0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-63.4-41.4174-70.20000112W31 S34 F35 K39 V40 R41W31-S37 PolarHBondContact N-OG 3.27Å; W31-S37 WeakPolarHBondContact O-CB 3.05Å; S34-S37 WeakPolarHBondContact CB-OG 3.29Å; S34-S37 WeakPolarHBondContact O-CB 3.22Å; S34-S37 PolarHBondContact O-N 3.42Å; S34-S37 PolarHBondContact OG-N 3.24Å; S34-S37 PolarHBondContact OG-OG 2.95Å; F35-S37 VanDerWaalsContact C-N 3.31Å; F35-S37 PolarHBondContact O-N 2.72Å; S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.87Å; S37-V40 PolarHBondContact O-N 2.63Å; S37-R41 WeakPolarHBondContact O-CB 3.32Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.34Å; S37-R41 PolarHBondContact O-N 2.79Å
38Q98Very high97.1Very high1 Ų118.3 Ų18.31%0.00511%0.106CC..Hα-helixtrans-60.7-41.8178.5-74.6162.93.300112.1T32 S34 F35 L42 V253 R257 L293T32-Q38 WeakPolarHBondContact O-CG 3.48Å; T32-Q38 PolarHBondContact O-NE2 3.17Å; S34-Q38 VanDerWaalsContact O-CG 3.28Å; S34-Q38 WeakPolarHBondContact O-CG 3.2Å; S34-Q38 PolarHBondContact O-N 3.46Å; F35-Q38 WeakPolarHBondContact O-CB 3.43Å; F35-Q38 PolarHBondContact O-N 2.95Å; F35-Q38 VanDerWaalsContact O-N 3.15Å; Q38-L42 WeakPolarHBondContact O-CB 3.43Å; Q38-L42 PolarHBondContact O-N 3.26Å; Q38-V253 HydrophobicContact CB-CG1 3.63Å; Q38-R257 VanDerWaalsContact CD-NH2 3.31Å; Q38-R257 VanDerWaalsContact NE2-NH2 3.1Å; Q38-L293 HydrophobicContact CB-CD2 4.02Å; Q38-L293 HydrophobicContact CG-CD2 4.16Å; Q38-L293 HydrophobicContact CG-CG 4.47Å
39K98.2Very high97Very high9 Ų919.5 Ų19.54%0.03911%0.112CC..Hα-helixtrans-59.6-53.9175-71.3-177.759.7-175.70112F35 S36 S37 R41 L42 V43 I94 D129 S250 V253F35-K39 HydrophobicContact CD1-CD 4.47Å; F35-K39 HydrophobicContact CE1-CD 3.73Å; F35-K39 HydrophobicContact CE1-CG 4.43Å; F35-K39 HydrophobicContact CZ-CD 3.94Å; F35-K39 HydrophobicContact CZ-CG 4.4Å; F35-K39 PolarHBondContact O-N 3.25Å; S36-K39 PolarHBondContact O-N 3.26Å; S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.87Å; K39-R41 VanDerWaalsContact C-N 3.35Å; K39-R41 PolarHBondContact O-N 2.93Å; K39-L42 PolarHBondContact O-N 2.97Å; K39-V43 WeakPolarHBondContact O-CG2 3.38Å; K39-V43 PolarHBondContact O-N 3.18Å; K39-I94 HydrophobicContact CB-CD1 4.19Å; K39-D129 IonicContact NZ-OD1 2.79Å; K39-D129 PolarHBondContact NZ-OD1 2.85Å; K39-D129 IonicContact NZ-OD2 2.65Å; K39-D129 PolarHBondContact NZ-OD2 2.98Å; K39-S250 WeakPolarHBondContact CE-OG 3.34Å; K39-S250 PolarHBondContact NZ-OG 2.83Å; K39-V253 HydrophobicContact CG-CB 3.94Å; K39-V253 HydrophobicContact CG-CG1 3.96Å; K39-V253 HydrophobicContact CG-CG2 4.06Å
40V98.6Very high96.8Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-61.1-44-178.6172.40000111.5L28 S36 S37 L42 V43 I44 P78 A90 I93 I94L28-V40 HydrophobicContact CD1-CG1 3.64Å; L28-V40 HydrophobicContact CD2-CG1 4.19Å; S36-V40 PolarHBondContact O-N 2.95Å; S37-V40 PolarHBondContact O-N 2.63Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.79Å; V40-V43 PolarHBondContact O-N 2.98Å; V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 WeakPolarHBondContact O-CG1 3.33Å; V40-I44 PolarHBondContact O-N 3.09Å; V40-P78 HydrophobicContact CB-CG 4.03Å; V40-P78 HydrophobicContact CG1-CG 4.48Å; V40-P78 HydrophobicContact CG2-CG 3.66Å; V40-A90 HydrophobicContact CG2-CB 3.98Å; V40-I93 HydrophobicContact CB-CG2 4.43Å; V40-I93 HydrophobicContact CG1-CG2 3.55Å; V40-I93 HydrophobicContact CG2-CB 4.2Å; V40-I93 HydrophobicContact CG2-CD1 4.48Å; V40-I93 HydrophobicContact CG2-CG2 3.95Å; V40-I94 HydrophobicContact CG2-CD1 4.37Å; V40-I94 HydrophobicContact CG2-CG1 4.08Å
41R98.6Very high96.7Very high28 Ų2826.6 Ų26.611%0.10615%0.147CC..Hα-helixtrans-62.8-38.2177.8-67.6170.581-130-5.4112.1L28 H30 S37 K39 A45 E53 V292L28-R41 HydrophobicContact CD2-CG 3.59Å; H30-R41 PolarHBondContact CE1-NE 3.13Å; H30-R41 VanDerWaalsContact CE1-NE 3.31Å; H30-R41 WeakPolarHBondContact ND1-CD 3.39Å; S37-R41 WeakPolarHBondContact O-CB 3.32Å; S37-R41 WeakPolarHBondContact O-CD 3.46Å; S37-R41 WeakPolarHBondContact O-CG 3.34Å; S37-R41 PolarHBondContact O-N 2.79Å; K39-R41 VanDerWaalsContact C-N 3.35Å; K39-R41 PolarHBondContact O-N 2.93Å; R41-A45 WeakPolarHBondContact O-CB 3.34Å; R41-A45 PolarHBondContact O-N 3.13Å; R41-E53 IonicContact CZ-OE2 2.64Å; R41-E53 VanDerWaalsContact CZ-OE2 3.26Å; R41-E53 IonicContact NE-OE2 2.97Å; R41-E53 PolarHBondContact NE-OE2 3.38Å; R41-E53 IonicContact NH2-OE2 3.92Å; R41-E53 PolarHBondContact NH2-OE2 2.89Å; R41-V292 HydrophobicContact CB-CG1 3.53Å; R41-V292 PolarHBondContact NH1-O 3.4Å
42L98.6Very high96.8Very high0 Ų027.4 Ų27.40%015%0.153CC..Hα-helixtrans-66.9-41.3176-174.758.6000111.2Q38 K39 V40 A45 E46 V249 A252 V253 F289 L293Q38-L42 WeakPolarHBondContact O-CB 3.43Å; Q38-L42 PolarHBondContact O-N 3.26Å; K39-L42 PolarHBondContact O-N 2.97Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.79Å; L42-A45 PolarHBondContact O-N 3.38Å; L42-E46 HydrophobicContact CD1-CG 4.08Å; L42-E46 HydrophobicContact CG-CG 4.26Å; L42-E46 WeakPolarHBondContact O-CB 3.29Å; L42-E46 VanDerWaalsContact O-CG 3.32Å; L42-E46 WeakPolarHBondContact O-CG 3.35Å; L42-E46 PolarHBondContact O-N 2.97Å; L42-V249 HydrophobicContact CB-CG1 4.39Å; L42-V249 HydrophobicContact CD2-CB 4.48Å; L42-V249 HydrophobicContact CD2-CG1 4.14Å; L42-V249 HydrophobicContact CD2-CG2 4.43Å; L42-V249 HydrophobicContact CG-CG1 4.4Å; L42-V249 HydrophobicContact CG-CG2 4.45Å; L42-A252 HydrophobicContact CD2-CB 4.37Å; L42-V253 HydrophobicContact CD2-CG2 3.81Å; L42-F289 HydrophobicContact CD1-CB 4.32Å; L42-F289 HydrophobicContact CD1-CD2 4.35Å; L42-F289 HydrophobicContact CD2-CD2 3.96Å; L42-F289 HydrophobicContact CD2-CE2 4.48Å; L42-L293 HydrophobicContact CB-CD1 4.16Å; L42-L293 HydrophobicContact CD1-CD1 4.2Å; L42-L293 HydrophobicContact CD2-CD1 4.25Å; L42-L293 HydrophobicContact CG-CD1 4.45Å
43V98.5Very high97Very high0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-59.6-50.6173.9168.80000111.2K39 V40 A45 E46 K47 I94 L97 L109 L246 V249K39-V43 WeakPolarHBondContact O-CG2 3.38Å; K39-V43 PolarHBondContact O-N 3.18Å; V40-V43 PolarHBondContact O-N 2.98Å; V43-A45 PolarHBondContact O-N 2.76Å; V43-E46 PolarHBondContact O-N 2.91Å; V43-K47 HydrophobicContact CG1-CD 3.87Å; V43-K47 HydrophobicContact CG1-CG 4.3Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 VanDerWaalsContact O-CG 3.29Å; V43-K47 WeakPolarHBondContact O-CG 3.17Å; V43-K47 PolarHBondContact O-N 2.73Å; V43-I94 HydrophobicContact CB-CG1 4.45Å; V43-I94 HydrophobicContact CG1-CG2 4.46Å; V43-I94 HydrophobicContact CG2-CD1 4.13Å; V43-I94 HydrophobicContact CG2-CG1 3.98Å; V43-I94 HydrophobicContact CG2-CG2 4.13Å; V43-L97 HydrophobicContact CG1-CB 4.49Å; V43-L97 HydrophobicContact CG1-CD1 4.03Å; V43-L109 HydrophobicContact CB-CD1 4.35Å; V43-L109 HydrophobicContact CG1-CD1 4.07Å; V43-L109 HydrophobicContact CG2-CD1 4.21Å; V43-L246 HydrophobicContact CG2-CD2 3.91Å; V43-V249 HydrophobicContact CG2-CB 4.48Å; V43-V249 HydrophobicContact CG2-CG1 3.79Å; V43-V249 HydrophobicContact CG2-CG2 4.16Å
44I98.3Very high97.2Very high6 Ų632.5 Ų32.53%0.03117%0.174CC..Hα-helixtrans-55.3-42.9177.2-72.1168.3000110.9L28 V40 A48 L49 C51 L97L28-I44 HydrophobicContact CD1-CD1 4.38Å; L28-I44 HydrophobicContact CD2-CD1 3.93Å; V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 HydrophobicContact CG1-CG1 4.44Å; V40-I44 WeakPolarHBondContact O-CG1 3.33Å; V40-I44 PolarHBondContact O-N 3.09Å; I44-A48 PolarHBondContact O-N 2.92Å; I44-L49 HydrophobicContact CG2-CB 4.15Å; I44-L49 PolarHBondContact O-N 3.44Å; I44-C51 HydrophobicContact CD1-CB 4.34Å; I44-C51 HydrophobicContact CG2-CB 3.57Å; I44-L97 HydrophobicContact CD1-CD1 4.24Å; I44-L97 HydrophobicContact CG1-CD1 3.58Å
45A97.7Very high97.2Very high22 Ų2233.7 Ų33.718%0.18218%0.18CC..Hα-helixtrans-70.9-43179.900000113.7R41 L42 V43 K47 A48 T288 V292R41-A45 WeakPolarHBondContact O-CB 3.34Å; R41-A45 PolarHBondContact O-N 3.13Å; L42-A45 PolarHBondContact O-N 3.38Å; V43-A45 PolarHBondContact O-N 2.76Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-A48 PolarHBondContact O-N 2.82Å; A45-A48 VanDerWaalsContact O-N 3.08Å; A45-T288 HydrophobicContact CB-CG2 4.48Å; A45-V292 HydrophobicContact CB-CG2 3.52Å
46E97.7Very high97.2Very high19 Ų1932.5 Ų32.59%0.08917%0.174CC..Hα-helixtrans-66.7-34.2177.1-70.5-74.2171.300111.6L42 V43 A48 L109 F244 R286 T288L42-E46 HydrophobicContact CD1-CG 4.08Å; L42-E46 HydrophobicContact CG-CG 4.26Å; L42-E46 WeakPolarHBondContact O-CB 3.29Å; L42-E46 VanDerWaalsContact O-CG 3.32Å; L42-E46 WeakPolarHBondContact O-CG 3.35Å; L42-E46 PolarHBondContact O-N 2.97Å; V43-E46 PolarHBondContact O-N 2.91Å; E46-A48 PolarHBondContact O-N 3.48Å; E46-L109 HydrophobicContact CB-CD1 3.97Å; E46-L109 HydrophobicContact CB-CD2 4.01Å; E46-F244 HydrophobicContact CG-CD1 4.36Å; E46-F244 HydrophobicContact CG-CE1 4.07Å; E46-R286 IonicContact OE1-CZ 2.77Å; E46-R286 IonicContact OE1-NE 3.22Å; E46-R286 PolarHBondContact OE1-NE 3.3Å; E46-R286 IonicContact OE1-NH2 3.92Å; E46-R286 PolarHBondContact OE1-NH2 3.47Å; E46-R286 IonicContact OE2-CZ 3.74Å; E46-R286 IonicContact OE2-NE 2.59Å; E46-R286 IonicContact OE2-NH2 2.94Å; E46-R286 PolarHBondContact OE2-NH2 2.99Å; E46-T288 WeakPolarHBondContact OE1-CB 3.32Å; E46-T288 PolarHBondContact OE1-OG1 3.4Å; E46-T288 PolarHBondContact OE2-OG1 3.36Å
47K96.6Very high97Very high0 Ų030.3 Ų30.30%016%0.159CC..THydrogen-bonded Turntrans-76.8-2.9171.4-65.5-173.275.563.30113.7V43 A45 L49 L97 E98 T106 P107 L109V43-K47 HydrophobicContact CG1-CD 3.87Å; V43-K47 HydrophobicContact CG1-CG 4.3Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 VanDerWaalsContact O-CG 3.29Å; V43-K47 WeakPolarHBondContact O-CG 3.17Å; V43-K47 PolarHBondContact O-N 2.73Å; A45-K47 VanDerWaalsContact C-N 3.32Å; K47-L49 HydrophobicContact CB-CD1 4.04Å; K47-L49 HydrophobicContact CB-CD2 4.47Å; K47-L49 HydrophobicContact CB-CG 3.74Å; K47-L49 HydrophobicContact CD-CD1 4.11Å; K47-L49 PolarHBondContact O-N 2.94Å; K47-L97 HydrophobicContact CD-CB 4.34Å; K47-L97 WeakPolarHBondContact CE-O 3.19Å; K47-E98 WeakPolarHBondContact CD-OE1 3.2Å; K47-E98 WeakPolarHBondContact CE-OE1 3.15Å; K47-E98 IonicContact NZ-OE1 2.63Å; K47-E98 PolarHBondContact NZ-OE1 2.89Å; K47-T106 HydrophobicContact CB-CG2 3.98Å; K47-T106 HydrophobicContact CG-CG2 4.47Å; K47-P107 PolarHBondContact NZ-O 3.41Å; K47-L109 HydrophobicContact CG-CD1 3.93Å; K47-L109 HydrophobicContact CG-CG 4.15Å
48A95.4Very high96.6Very high74 Ų7432.3 Ų32.361%0.61217%0.17SC*.THydrogen-bonded Turntrans55.329.4-17700000114.8I44 A45 E46I44-A48 PolarHBondContact O-N 2.92Å; A45-A48 PolarHBondContact O-N 2.82Å; A45-A48 VanDerWaalsContact O-N 3.08Å; E46-A48 PolarHBondContact O-N 3.48Å
49L95.5Very high96.1Very high24 Ų2434.6 Ų34.613%0.12618%0.184CC..  trans-75.2139.2-178.7-61.3176.6000111.2L26 I44 K47 C51 L97 F101 T106L26-L49 HydrophobicContact CD2-CB 4.18Å; L26-L49 HydrophobicContact CD2-CD1 4.17Å; I44-L49 HydrophobicContact CG2-CB 4.15Å; I44-L49 PolarHBondContact O-N 3.44Å; K47-L49 HydrophobicContact CB-CD1 4.04Å; K47-L49 HydrophobicContact CB-CD2 4.47Å; K47-L49 HydrophobicContact CB-CG 3.74Å; K47-L49 HydrophobicContact CD-CD1 4.11Å; K47-L49 PolarHBondContact O-N 2.94Å; L49-C51 PolarHBondContact O-N 2.78Å; L49-L97 HydrophobicContact CD1-CD2 3.89Å; L49-F101 HydrophobicContact CD1-CB 4.49Å; L49-F101 HydrophobicContact CD1-CD2 3.79Å; L49-F101 HydrophobicContact CD1-CE2 4.19Å; L49-F101 HydrophobicContact CD1-CG 4.09Å; L49-F101 HydrophobicContact CD2-CB 3.85Å; L49-F101 HydrophobicContact CD2-CD1 3.75Å; L49-F101 HydrophobicContact CD2-CD2 4.21Å; L49-F101 HydrophobicContact CD2-CE1 4.36Å; L49-F101 HydrophobicContact CD2-CG 3.66Å; L49-T106 HydrophobicContact CD2-CG2 4.04Å
50K94.9Very high95.6Very high172 Ų17236.3 Ų36.375%0.74819%0.194SC*.  trans-78.4109.1169.8-68.1178.6-173.9167.60108.7
51C96.7Very high95.3Very high29 Ų2936.7 Ų36.720%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-124134.3-179.9-169.90000110.1L26 L28 I44 L49L26-C51 HydrophobicContact CD2-CB 4.09Å; L26-C51 HydrophobicContact CG-CB 4.4Å; L26-C51 CarbonylContact O-C 3.59Å; L26-C51 WeakPolarHBondContact O-CA 3.12Å; L28-C51 VanDerWaalsContact CB-SG 3.54Å; I44-C51 HydrophobicContact CD1-CB 4.34Å; I44-C51 HydrophobicContact CG2-CB 3.57Å; L49-C51 PolarHBondContact O-N 2.78Å
52E97.5Very high95.1Very high61 Ų6136.1 Ų36.129%0.28520%0.195SC..EExtended strand (participates in β ladder)trans-81.8117.9165.5173.5174.9-131.200109.6K25 L26 I27 L28 H54K25-E52 WeakPolarHBondContact CD-OE2 3.42Å; K25-E52 WeakPolarHBondContact CE-OE2 3.44Å; K25-E52 IonicContact NZ-OE1 3.31Å; K25-E52 PolarHBondContact NZ-OE1 2.88Å; K25-E52 IonicContact NZ-OE2 3.02Å; K25-E52 PolarHBondContact NZ-OE2 3.1Å; L26-E52 PolarHBondContact O-N 3.04Å; I27-E52 CarbonylContact C-O 3.58Å; I27-E52 WeakPolarHBondContact CA-O 3.36Å; I27-E52 HydrophobicContact CG1-CB 4.33Å; L28-E52 PolarHBondContact N-O 2.73Å; E52-H54 VanDerWaalsContact CD-CE1 3.49Å; E52-H54 VanDerWaalsContact CD-NE2 3.33Å; E52-H54 IonicContact OE1-CE1 3.88Å; E52-H54 PolarHBondContact OE1-CE1 2.91Å; E52-H54 IonicContact OE1-NE2 2.81Å; E52-H54 IonicContact OE2-NE2 3.36Å
53E96.8Very high94.9Very high84 Ų8437.5 Ų37.539%0.39320%0.202SC..EExtended strand (participates in β ladder)trans-98.7126.2-179.1-77.7179.3-114.200111L28 H30 R41L28-E53 HydrophobicContact CD2-CG 4.47Å; L28-E53 WeakPolarHBondContact O-CA 3.47Å; H30-E53 IonicContact CD2-OE2 2.79Å; H30-E53 IonicContact CE1-OE2 3.39Å; H30-E53 WeakPolarHBondContact NE2-CB 3.44Å; H30-E53 IonicContact NE2-OE2 3.89Å; H30-E53 PolarHBondContact NE2-OE2 3.13Å; H30-E53 VanDerWaalsContact NE2-OE2 3.13Å; R41-E53 IonicContact CZ-OE2 2.64Å; R41-E53 VanDerWaalsContact CZ-OE2 3.26Å; R41-E53 IonicContact NE-OE2 2.97Å; R41-E53 PolarHBondContact NE-OE2 3.38Å; R41-E53 IonicContact NH2-OE2 3.92Å; R41-E53 PolarHBondContact NH2-OE2 2.89Å
54H96.7Very high94.8Very high61 Ų6137.6 Ų37.628%0.28220%0.202SC..EExtended strand (participates in β ladder)trans-115.3109.7172.1-64.9-55000110.1I27 L28 Y29 H30 E52 V56I27-H54 WeakPolarHBondContact CG2-CD2 3.26Å; L28-H54 PolarHBondContact O-N 3.48Å; Y29-H54 VanDerWaalsContact CA-O 3.32Å; Y29-H54 WeakPolarHBondContact CA-O 3.39Å; Y29-H54 HydrophobicContact CD1-CB 3.55Å; Y29-H54 HydrophobicContact CE1-CB 3.71Å; Y29-H54 AromaticContact CE1-CD2 3.69Å; Y29-H54 AromaticContact CE1-CG 3.92Å; Y29-H54 HydrophobicContact CG-CB 4.26Å; Y29-H54 AromaticContact CZ-CD2 3.69Å; H30-H54 PolarHBondContact N-O 2.76Å; E52-H54 VanDerWaalsContact CD-CE1 3.49Å; E52-H54 VanDerWaalsContact CD-NE2 3.33Å; E52-H54 IonicContact OE1-CE1 3.88Å; E52-H54 PolarHBondContact OE1-CE1 2.91Å; E52-H54 IonicContact OE1-NE2 2.81Å; E52-H54 IonicContact OE2-NE2 3.36Å; H54-V56 PolarHBondContact O-N 3.47Å
55D95.1Very high94.7Very high43 Ų4340.3 Ų40.323%0.2322%0.215CC..EExtended strand (participates in β ladder)trans-78.7122.7-179.7-175.2-87.6000110.6H30 T32 R310H30-D55 IonicContact CE1-OD2 3.64Å; H30-D55 IonicContact ND1-OD2 2.98Å; H30-D55 CarbonylContact O-C 3.59Å; H30-D55 VanDerWaalsContact O-CA 3.25Å; H30-D55 WeakPolarHBondContact O-CA 3.49Å; T32-D55 PolarHBondContact N-OD2 3.42Å; T32-D55 VanDerWaalsContact N-OD2 3.14Å; T32-D55 PolarHBondContact OG1-OD2 2.97Å; D55-R310 VanDerWaalsContact CG-NH2 3.33Å; D55-R310 VanDerWaalsContact O-CZ 3.28Å; D55-R310 PolarHBondContact O-NH1 2.87Å; D55-R310 PolarHBondContact O-NH2 3.1Å; D55-R310 IonicContact OD1-CZ 2.83Å; D55-R310 IonicContact OD1-NE 2.87Å; D55-R310 IonicContact OD1-NH2 3.28Å; D55-R310 PolarHBondContact OD1-NH2 3.14Å
56V96.2Very high94.7Very high2 Ų240.9 Ų40.91%0.01222%0.216CC..  trans-104.8109.8178.3-179.10000108.2Y29 H30 W31 H54 L58 E62 H63 W67 F68 V77Y29-V56 HydrophobicContact CD1-CG2 4Å; Y29-V56 HydrophobicContact CG-CG2 4.49Å; H30-V56 PolarHBondContact O-N 3.38Å; W31-V56 WeakPolarHBondContact CB-O 3.47Å; H54-V56 PolarHBondContact O-N 3.47Å; V56-L58 PolarHBondContact O-N 3.1Å; V56-E62 HydrophobicContact CG1-CB 3.88Å; V56-H63 HydrophobicContact CG1-CB 3.99Å; V56-W67 HydrophobicContact CG2-CH2 4.04Å; V56-F68 HydrophobicContact CG1-CD2 4.16Å; V56-F68 HydrophobicContact CG1-CE2 4.28Å; V56-F68 HydrophobicContact CG1-CG 4.47Å; V56-F68 HydrophobicContact CG2-CD2 4.01Å; V56-F68 HydrophobicContact CG2-CE2 3.87Å; V56-V77 HydrophobicContact CB-CG1 4.14Å; V56-V77 HydrophobicContact CG1-CG1 4.34Å
57S92.6Very high94.7Very high1 Ų144.9 Ų44.91%0.00723%0.231CC..  trans-77.5107.9-172.8-173.60000111.7L60 S61 E62S57-L60 PolarHBondContact O-N 2.72Å; S57-L60 WeakPolarHBondContact OG-CG 3.17Å; S57-L60 PolarHBondContact OG-N 3.38Å; S57-S61 PolarHBondContact O-N 3.33Å; S57-E62 WeakPolarHBondContact CB-OE2 3.35Å; S57-E62 PolarHBondContact N-OE2 3.25Å; S57-E62 PolarHBondContact O-N 2.95Å
58L90.4Very high94.7Very high43 Ų4344.9 Ų44.923%0.22523%0.231CC..THydrogen-bonded Turntrans-62.7-42.5170.7-88.965.8000113W31 V56 L60 S61 H63 V77W31-L58 HydrophobicContact CB-CD1 3.74Å; W31-L58 HydrophobicContact CD2-CB 3.97Å; W31-L58 HydrophobicContact CD2-CD1 4.11Å; W31-L58 HydrophobicContact CD2-CD2 4.41Å; W31-L58 HydrophobicContact CD2-CG 4.38Å; W31-L58 HydrophobicContact CE3-CB 3.9Å; W31-L58 HydrophobicContact CE3-CD1 4.14Å; W31-L58 HydrophobicContact CE3-CD2 3.66Å; W31-L58 HydrophobicContact CE3-CG 4.1Å; W31-L58 HydrophobicContact CG-CD1 3.98Å; W31-L58 HydrophobicContact CH2-CB 4.35Å; W31-L58 HydrophobicContact CZ2-CB 4.44Å; W31-L58 HydrophobicContact CZ3-CB 4.09Å; W31-L58 HydrophobicContact CZ3-CD2 3.95Å; V56-L58 PolarHBondContact O-N 3.1Å; L58-L60 PolarHBondContact O-N 3.09Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L58-S61 PolarHBondContact O-N 3.28Å; L58-H63 HydrophobicContact CD1-CB 4.22Å; L58-V77 HydrophobicContact CD1-CG1 4.35Å; L58-V77 HydrophobicContact CD1-CG2 3.77Å
59P86.8Confident94.8Very high48 Ų4841.4 Ų41.431%0.31220%0.202SC..THydrogen-bonded Turntrans-59.9-23.8176-27.435.8000114.5W31 T307W31-P59 HydrophobicContact CH2-CG 4.28Å; W31-P59 VanDerWaalsContact CZ2-CD 3.41Å; W31-P59 HydrophobicContact CZ2-CG 3.57Å; P59-T307 HydrophobicContact CB-CG2 4.49Å
60L88.6Confident94.9Very high45 Ų4547.3 Ų47.324%0.23622%0.222CC..THydrogen-bonded Turntrans-101.414.5176.1-59.9-180000113S57 L58 E62 T307 R310 V311S57-L60 PolarHBondContact O-N 2.72Å; S57-L60 WeakPolarHBondContact OG-CG 3.17Å; S57-L60 PolarHBondContact OG-N 3.38Å; L58-L60 PolarHBondContact O-N 3.09Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L60-E62 HydrophobicContact CB-CG 4.15Å; L60-E62 PolarHBondContact O-N 3.39Å; L60-E62 VanDerWaalsContact O-N 3.11Å; L60-T307 HydrophobicContact CD1-CG2 4.19Å; L60-T307 HydrophobicContact CD2-CG2 3.72Å; L60-T307 HydrophobicContact CG-CG2 3.88Å; L60-R310 HydrophobicContact CD1-CB 3.67Å; L60-R310 HydrophobicContact CD1-CG 4.46Å; L60-V311 HydrophobicContact CD1-CG2 4.18Å; L60-V311 HydrophobicContact CD2-CG2 3.62Å
61S91.9Very high94.9Very high9 Ų941 Ų416%0.06320%0.197CC..THydrogen-bonded Turntrans5722.8179.8-65.10000114.5S57 L58 H63 N64 E170S57-S61 PolarHBondContact O-N 3.33Å; L58-S61 PolarHBondContact O-N 3.28Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 2.78Å; S61-N64 WeakPolarHBondContact O-CA 3.47Å; S61-N64 VanDerWaalsContact O-CB 3.3Å; S61-N64 WeakPolarHBondContact O-CB 3.29Å; S61-N64 PolarHBondContact O-N 3.36Å; S61-E170 WeakPolarHBondContact CB-OE1 3.28Å; S61-E170 WeakPolarHBondContact CB-OE2 3.34Å; S61-E170 PolarHBondContact OG-OE2 3.2Å
62E94.7Very high94.9Very high15 Ų1540 Ų407%0.0719%0.189CC..G310 helixtrans-65.1-31.4-175.5-67.9-178.9159.500112.6V56 S57 L60 N64 E65 R310 K314V56-E62 HydrophobicContact CG1-CB 3.88Å; S57-E62 WeakPolarHBondContact CB-OE2 3.35Å; S57-E62 PolarHBondContact N-OE2 3.25Å; S57-E62 PolarHBondContact O-N 2.95Å; L60-E62 HydrophobicContact CB-CG 4.15Å; L60-E62 PolarHBondContact O-N 3.39Å; L60-E62 VanDerWaalsContact O-N 3.11Å; E62-N64 PolarHBondContact O-N 3.48Å; E62-N64 VanDerWaalsContact O-N 3.16Å; E62-E65 VanDerWaalsContact O-CB 3.32Å; E62-E65 WeakPolarHBondContact O-CB 3.47Å; E62-E65 PolarHBondContact O-N 3.04Å; E62-R310 IonicContact OE1-NH1 2.83Å; E62-R310 IonicContact OE2-CZ 2.81Å; E62-R310 IonicContact OE2-NH1 3.81Å; E62-R310 PolarHBondContact OE2-NH1 3.34Å; E62-K314 WeakPolarHBondContact OE1-CE 3.19Å; E62-K314 IonicContact OE1-NZ 2.78Å; E62-K314 PolarHBondContact OE1-NZ 2.96Å
63H95.4Very high94.9Very high30 Ų3040.4 Ų40.414%0.13920%0.199CC..G310 helixtrans-64.4-7.8169.968.9-53.9000115V56 L58 S61 F68 G75 K188V56-H63 HydrophobicContact CG1-CB 3.99Å; L58-H63 HydrophobicContact CD1-CB 4.22Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 2.78Å; H63-F68 HydrophobicContact CB-CD1 4.1Å; H63-F68 HydrophobicContact CB-CE1 4.13Å; H63-F68 WeakPolarHBondContact O-CD1 3.44Å; H63-G75 PolarHBondContact CD2-O 3.02Å; H63-G75 VanDerWaalsContact CD2-O 3.22Å; H63-K188 PolarHBondContact CD2-NZ 3.26Å; H63-K188 VanDerWaalsContact CD2-NZ 3.34Å; H63-K188 PolarHBondContact O-NZ 3.19Å
64N96.2Very high94.8Very high1 Ų137.8 Ų37.81%0.00519%0.189CC..G310 helixtrans-99.7-11.7170.3-61.6-29.9000111.8S61 E62 L171 L174 Y185 K188S61-N64 WeakPolarHBondContact O-CA 3.47Å; S61-N64 VanDerWaalsContact O-CB 3.3Å; S61-N64 WeakPolarHBondContact O-CB 3.29Å; S61-N64 PolarHBondContact O-N 3.36Å; E62-N64 PolarHBondContact O-N 3.48Å; E62-N64 VanDerWaalsContact O-N 3.16Å; N64-L171 HydrophobicContact CB-CD2 4.3Å; N64-L174 HydrophobicContact CB-CD1 3.83Å; N64-Y185 VanDerWaalsContact O-CE1 3.27Å; N64-Y185 WeakPolarHBondContact O-CE1 3.43Å; N64-Y185 PolarHBondContact O-OH 2.97Å; N64-K188 WeakPolarHBondContact OD1-CE 3.44Å; N64-K188 PolarHBondContact OD1-NZ 3.41Å
65E96.1Very high94.8Very high64 Ų6435 Ų3530%0.29918%0.176SC..SBendtrans-62.9142.7-179-70.1179.1177.500110.1E62 W67 F68 M69 K314E62-E65 VanDerWaalsContact O-CB 3.32Å; E62-E65 WeakPolarHBondContact O-CB 3.47Å; E62-E65 PolarHBondContact O-N 3.04Å; E65-W67 PolarHBondContact O-N 2.83Å; E65-W67 VanDerWaalsContact O-N 3.12Å; E65-W67 PolarHBondContact OE2-NE1 3.03Å; E65-F68 PolarHBondContact O-N 3.39Å; E65-M69 PolarHBondContact O-N 2.9Å; E65-K314 IonicContact OE1-NZ 3.54Å; E65-K314 PolarHBondContact OE1-NZ 2.91Å
66P97.4Very high94.8Very high33 Ų3336.8 Ų36.821%0.21418%0.183CC..Hα-helixtrans-54.9-36.5-172.5-30.736.5000114.5F68 M69 R70 N178 L181P66-F68 VanDerWaalsContact C-N 3.3Å; P66-F68 PolarHBondContact O-N 2.98Å; P66-M69 PolarHBondContact O-N 2.83Å; P66-R70 VanDerWaalsContact O-CG 3.31Å; P66-R70 WeakPolarHBondContact O-CG 3.31Å; P66-R70 PolarHBondContact O-N 2.98Å; P66-N178 WeakPolarHBondContact CG-OD1 3.49Å; P66-L181 HydrophobicContact CB-CD1 3.77Å
67W96.5Very high94.9Very high104 Ų10437.2 Ų37.239%0.39419%0.186SC..Hα-helixtrans-63.4-37178.869.6-94.5000112Y29 V56 E65 L71Y29-W67 HydrophobicContact CD1-CH2 4.12Å; Y29-W67 AromaticContact CD1-CZ3 3.96Å; Y29-W67 HydrophobicContact CD1-CZ3 3.96Å; Y29-W67 HydrophobicContact CE1-CH2 4.18Å; Y29-W67 AromaticContact CE1-CZ3 3.77Å; Y29-W67 HydrophobicContact CE1-CZ3 3.77Å; V56-W67 HydrophobicContact CG2-CH2 4.04Å; E65-W67 PolarHBondContact O-N 2.83Å; E65-W67 VanDerWaalsContact O-N 3.12Å; E65-W67 PolarHBondContact OE2-NE1 3.03Å; W67-L71 HydrophobicContact CE3-CD1 4.03Å; W67-L71 HydrophobicContact CZ3-CD1 3.91Å; W67-L71 PolarHBondContact O-N 3.31Å
68F97.9Very high95.2Very high0 Ų037.2 Ų37.20%019%0.186CC..Hα-helixtrans-77.9-39.2178.8-171.6-92.9000110.7Y29 V56 H63 E65 P66 R70 L71 N72 E76 V77 V79Y29-F68 HydrophobicContact CG-CE2 4.44Å; V56-F68 HydrophobicContact CG1-CD2 4.16Å; V56-F68 HydrophobicContact CG1-CE2 4.28Å; V56-F68 HydrophobicContact CG1-CG 4.47Å; V56-F68 HydrophobicContact CG2-CD2 4.01Å; V56-F68 HydrophobicContact CG2-CE2 3.87Å; H63-F68 HydrophobicContact CB-CD1 4.1Å; H63-F68 HydrophobicContact CB-CE1 4.13Å; H63-F68 WeakPolarHBondContact O-CD1 3.44Å; E65-F68 PolarHBondContact O-N 3.39Å; P66-F68 VanDerWaalsContact C-N 3.3Å; P66-F68 PolarHBondContact O-N 2.98Å; F68-R70 PolarHBondContact O-N 3.18Å; F68-L71 HydrophobicContact CD2-CD1 4.45Å; F68-L71 WeakPolarHBondContact O-CA 3.39Å; F68-L71 WeakPolarHBondContact O-CB 3.45Å; F68-L71 PolarHBondContact O-N 3.01Å; F68-N72 HydrophobicContact CE1-CB 4.42Å; F68-N72 PolarHBondContact O-N 2.81Å; F68-E76 WeakPolarHBondContact CE1-O 3.49Å; F68-E76 WeakPolarHBondContact CZ-O 3.39Å; F68-V77 HydrophobicContact CE1-CG1 4.22Å; F68-V77 HydrophobicContact CE2-CG1 4.15Å; F68-V77 HydrophobicContact CZ-CG1 3.53Å; F68-V79 HydrophobicContact CE2-CG2 4.18Å; F68-V79 HydrophobicContact CZ-CG2 3.76Å
69M97.8Very high95.5Very high1 Ų135.1 Ų35.11%0.00518%0.175CC..Hα-helixtrans-63.1-27.8175.9-69.3-68-60.800112.9E65 P66 N72 S73 G75 L181 A184 Y185 K188E65-M69 PolarHBondContact O-N 2.9Å; P66-M69 PolarHBondContact O-N 2.83Å; M69-N72 WeakPolarHBondContact CA-O 3.48Å; M69-N72 CarbonylContact O-C 3.59Å; M69-S73 WeakPolarHBondContact CE-O 3.37Å; M69-S73 WeakPolarHBondContact O-CA 3.41Å; M69-S73 PolarHBondContact O-N 3.32Å; M69-G75 VanDerWaalsContact SD-CA 3.56Å; M69-L181 HydrophobicContact CB-CD1 3.95Å; M69-L181 HydrophobicContact CB-CD2 4.37Å; M69-A184 HydrophobicContact CE-CB 3.91Å; M69-Y185 HydrophobicContact CE-CD1 3.95Å; M69-Y185 HydrophobicContact CE-CE1 3.98Å; M69-Y185 HydrophobicContact CG-CE1 3.65Å; M69-Y185 HydrophobicContact SD-CE1 4.15Å; M69-K188 HydrophobicContact CE-CD 4.26Å; M69-K188 HydrophobicContact SD-CD 4.17Å
70R96.1Very high96.1Very high147 Ų14732.9 Ų32.956%0.55516%0.16SC*.Hα-helixtrans-70.6-30.5169.9-72.9174.4-162.6-79.7-5.7113.1P66 F68 D180 L181P66-R70 VanDerWaalsContact O-CG 3.31Å; P66-R70 WeakPolarHBondContact O-CG 3.31Å; P66-R70 PolarHBondContact O-N 2.98Å; F68-R70 PolarHBondContact O-N 3.18Å; R70-D180 IonicContact CZ-OD1 3.62Å; R70-D180 IonicContact CZ-OD2 3.73Å; R70-D180 IonicContact NH1-OD2 2.76Å; R70-D180 PolarHBondContact NH1-OD2 3.29Å; R70-D180 IonicContact NH2-OD1 2.64Å; R70-D180 PolarHBondContact NH2-OD1 3.4Å; R70-D180 IonicContact NH2-OD2 3.87Å; R70-D180 PolarHBondContact NH2-OD2 2.91Å; R70-L181 HydrophobicContact CG-CD1 4.27Å; R70-L181 HydrophobicContact CG-CD2 4.01Å
71L95.8Very high96.6Very high41 Ų4132.1 Ų32.122%0.21516%0.156CC..Hα-helixtrans-74.7-43.8172.9-64.7174000111Y29 W67 F68 I81 I86Y29-L71 HydrophobicContact CD2-CD1 4.25Å; Y29-L71 HydrophobicContact CE2-CD1 4.04Å; W67-L71 HydrophobicContact CE3-CD1 4.03Å; W67-L71 HydrophobicContact CZ3-CD1 3.91Å; W67-L71 PolarHBondContact O-N 3.31Å; F68-L71 HydrophobicContact CD2-CD1 4.45Å; F68-L71 WeakPolarHBondContact O-CA 3.39Å; F68-L71 WeakPolarHBondContact O-CB 3.45Å; F68-L71 PolarHBondContact O-N 3.01Å; L71-I81 HydrophobicContact CD2-CD1 4.15Å; L71-I86 HydrophobicContact CD2-CD1 4.35Å
72N97.4Very high96.8Very high7 Ų733 Ų334%0.03716%0.159CC..  trans-141.2108179-178.49.6000110.5F68 M69 T74 G75 E76 V79 C88F68-N72 HydrophobicContact CE1-CB 4.42Å; F68-N72 PolarHBondContact O-N 2.81Å; M69-N72 WeakPolarHBondContact CA-O 3.48Å; M69-N72 CarbonylContact O-C 3.59Å; N72-T74 VanDerWaalsContact CG-OG1 3.32Å; N72-T74 PolarHBondContact ND2-OG1 2.91Å; N72-T74 PolarHBondContact O-N 3.08Å; N72-T74 PolarHBondContact OD1-N 3.2Å; N72-T74 PolarHBondContact OD1-OG1 3.29Å; N72-G75 WeakPolarHBondContact O-CA 3.24Å; N72-G75 PolarHBondContact O-N 3.27Å; N72-E76 PolarHBondContact ND2-N 2.92Å; N72-E76 PolarHBondContact ND2-O 3.38Å; N72-V79 HydrophobicContact CB-CG2 3.68Å; N72-C88 HydrophobicContact CB-CB 4.28Å
73S96.3Very high96.7Very high69 Ų6934.4 Ų34.448%0.48318%0.177SC..THydrogen-bonded Turntrans-66.7-16-179.563.80000113.6M69M69-S73 WeakPolarHBondContact CE-O 3.37Å; M69-S73 WeakPolarHBondContact O-CA 3.41Å; M69-S73 PolarHBondContact O-N 3.32Å
74T95.8Very high96.6Very high30 Ų3042.2 Ų42.218%0.18421%0.214CC..THydrogen-bonded Turntrans-74.4-24.5169.976.40000111.8N72 E76 K188 R191N72-T74 VanDerWaalsContact CG-OG1 3.32Å; N72-T74 PolarHBondContact ND2-OG1 2.91Å; N72-T74 PolarHBondContact O-N 3.08Å; N72-T74 PolarHBondContact OD1-N 3.2Å; N72-T74 PolarHBondContact OD1-OG1 3.29Å; T74-E76 VanDerWaalsContact C-N 3.25Å; T74-E76 PolarHBondContact OG1-N 2.85Å; T74-K188 WeakPolarHBondContact O-CD 3.38Å; T74-K188 VanDerWaalsContact O-CE 3.28Å; T74-K188 WeakPolarHBondContact O-CE 3.32Å; T74-R191 PolarHBondContact O-NH2 3.12Å
75G95.5Very high96.6Very high1 Ų146 Ų461%0.0123%0.234CC..  trans60.834.7-173.900000112.3H63 M69 N72 K188H63-G75 PolarHBondContact CD2-O 3.02Å; H63-G75 VanDerWaalsContact CD2-O 3.22Å; M69-G75 VanDerWaalsContact SD-CA 3.56Å; N72-G75 WeakPolarHBondContact O-CA 3.24Å; N72-G75 PolarHBondContact O-N 3.27Å; G75-K188 VanDerWaalsContact CA-NZ 3.33Å; G75-K188 PolarHBondContact O-NZ 3.04Å
76E95.8Very high96.6Very high81 Ų8147.1 Ų47.138%0.37924%0.241SC..  trans-100.5155.8173.7-64.5-171.8148.800110.6F68 N72 T74 K195F68-E76 WeakPolarHBondContact CE1-O 3.49Å; F68-E76 WeakPolarHBondContact CZ-O 3.39Å; N72-E76 PolarHBondContact ND2-N 2.92Å; N72-E76 PolarHBondContact ND2-O 3.38Å; T74-E76 VanDerWaalsContact C-N 3.25Å; T74-E76 PolarHBondContact OG1-N 2.85Å; E76-K195 IonicContact OE1-NZ 3.03Å; E76-K195 PolarHBondContact OE1-NZ 3.28Å
77V97.6Very high96.7Very high11 Ų1146.6 Ų46.67%0.06724%0.237CC..SBendtrans-115.7146.7175.5-68.80000109.4W31 S34 V56 L58 F68W31-V77 HydrophobicContact CB-CG2 3.95Å; S34-V77 PolarHBondContact OG-O 3.47Å; V56-V77 HydrophobicContact CB-CG1 4.14Å; V56-V77 HydrophobicContact CG1-CG1 4.34Å; L58-V77 HydrophobicContact CD1-CG1 4.35Å; L58-V77 HydrophobicContact CD1-CG2 3.77Å; F68-V77 HydrophobicContact CE1-CG1 4.22Å; F68-V77 HydrophobicContact CE2-CG1 4.15Å; F68-V77 HydrophobicContact CZ-CG1 3.53Å
78P98.4Very high96.7Very high1 Ų143 Ų431%0.00623%0.227CC..  cis-89.6164.88.634.7-32.5000114.7L28 Y29 H30 V40 A90 I93L28-P78 HydrophobicContact CD1-CB 3.79Å; L28-P78 HydrophobicContact CG-CB 4.42Å; Y29-P78 CarbonylContact O-C 3.47Å; Y29-P78 WeakPolarHBondContact O-CA 3.17Å; Y29-P78 WeakPolarHBondContact O-CB 3.45Å; H30-P78 HydrophobicContact CB-CB 4.2Å; V40-P78 HydrophobicContact CB-CG 4.03Å; V40-P78 HydrophobicContact CG1-CG 4.48Å; V40-P78 HydrophobicContact CG2-CG 3.66Å; P78-A90 HydrophobicContact CG-CB 4.38Å; P78-I93 HydrophobicContact CB-CD1 4.42Å; P78-I93 HydrophobicContact CG-CD1 3.93Å
79V98.7Very high96.6Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-124.7124.9167.4179.10000108.3Y29 F68 N72 I86 I87 C88Y29-V79 PolarHBondContact N-O 2.66Å; Y29-V79 PolarHBondContact O-N 2.83Å; F68-V79 HydrophobicContact CE2-CG2 4.18Å; F68-V79 HydrophobicContact CZ-CG2 3.76Å; N72-V79 HydrophobicContact CB-CG2 3.68Å; V79-I86 HydrophobicContact CG1-CG2 3.71Å; V79-I87 WeakPolarHBondContact CA-O 3.48Å; V79-C88 HydrophobicContact CG2-CB 4.49Å
80L98.7Very high96.6Very high1 Ų147.6 Ų47.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-98.2135.2175.2-169.781.3000109.8L26 I27 L28 I86 I87 I93 Y96 L97L26-L80 HydrophobicContact CD1-CD1 3.69Å; L26-L80 HydrophobicContact CD1-CD2 3.86Å; L26-L80 HydrophobicContact CD1-CG 3.98Å; L26-L80 HydrophobicContact CG-CD1 4.06Å; I27-L80 CarbonylContact O-C 3.46Å; I27-L80 WeakPolarHBondContact O-CA 3.38Å; L28-L80 HydrophobicContact CB-CD1 4.41Å; L28-L80 HydrophobicContact CD1-CB 4.45Å; L28-L80 HydrophobicContact CD1-CD1 3.91Å; L80-I86 WeakPolarHBondContact O-CA 3.32Å; L80-I87 HydrophobicContact CB-CB 4.46Å; L80-I87 HydrophobicContact CD2-CD1 4.47Å; L80-I87 PolarHBondContact N-O 3.5Å; L80-I87 PolarHBondContact O-N 3Å; L80-I93 HydrophobicContact CB-CD1 3.98Å; L80-I93 HydrophobicContact CB-CG1 3.82Å; L80-I93 HydrophobicContact CB-CG2 3.93Å; L80-I93 HydrophobicContact CD1-CG2 4.39Å; L80-I93 HydrophobicContact CD2-CG2 3.98Å; L80-I93 HydrophobicContact CG-CG2 4.32Å; L80-Y96 HydrophobicContact CD2-CD1 3.78Å; L80-Y96 HydrophobicContact CD2-CE1 4.07Å; L80-L97 HydrophobicContact CD2-CD2 3.94Å; L80-L97 HydrophobicContact CD2-CG 4.38Å
81I98.3Very high96.6Very high28 Ų2843.6 Ų43.614%0.14424%0.243CC..EExtended strand (participates in β ladder)trans-118129168.3-53.2-175000108.9I27 Y29 L71 N85 I86I27-I81 HydrophobicContact CB-CB 4.27Å; I27-I81 PolarHBondContact N-O 2.92Å; I27-I81 PolarHBondContact O-N 2.88Å; Y29-I81 HydrophobicContact CD2-CD1 4.33Å; Y29-I81 HydrophobicContact CE2-CD1 3.69Å; Y29-I81 HydrophobicContact CE2-CG1 4.33Å; L71-I81 HydrophobicContact CD2-CD1 4.15Å; I81-N85 VanDerWaalsContact CA-O 3.31Å; I81-N85 WeakPolarHBondContact CA-O 3.48Å; I81-I86 HydrophobicContact CG1-CG1 4.33Å
82H97Very high96.7Very high28 Ų2847.3 Ų47.313%0.1326%0.259CS..EExtended strand (participates in β ladder)trans-143.8101.4173.3-175.6-139.4000109.6L26 E84 N85 Y96 F101L26-H82 HydrophobicContact CD1-CB 3.89Å; H82-E84 PolarHBondContact O-N 3.32Å; H82-N85 PolarHBondContact N-O 3.37Å; H82-N85 WeakPolarHBondContact O-CB 3.45Å; H82-N85 PolarHBondContact O-N 3.49Å; H82-N85 VanDerWaalsContact O-N 3.13Å; H82-N85 PolarHBondContact O-ND2 3.06Å; H82-N85 VanDerWaalsContact O-ND2 3.09Å; H82-Y96 HydrophobicContact CB-CE1 4.04Å; H82-Y96 AromaticContact ND1-CE1 3.68Å; H82-Y96 AromaticContact ND1-CZ 3.63Å; H82-Y96 PolarHBondContact ND1-OH 2.92Å; H82-F101 AromaticContact CE1-CZ 3.83Å
83G92.1Very high96.7Very high44 Ų4447 Ų4745%0.45426%0.257SS..THydrogen-bonded Turntrans66.8-122.4-17200000110.6N85G83-N85 VanDerWaalsContact C-N 3.35Å
84E92.8Very high96.8Very high195 Ų19543.8 Ų43.891%0.91124%0.235SC*.THydrogen-bonded Turntrans-86-7.9175.6-60.4-175.9165.200113H82H82-E84 PolarHBondContact O-N 3.32Å
85N96.1Very high96.9Very high80 Ų8044.7 Ų44.743%0.42824%0.238SC..EExtended strand (participates in β ladder)trans-81.3127.3-178.1-56.4-68.3000110.7I81 H82 G83 Y96I81-N85 VanDerWaalsContact CA-O 3.31Å; I81-N85 WeakPolarHBondContact CA-O 3.48Å; H82-N85 PolarHBondContact N-O 3.37Å; H82-N85 WeakPolarHBondContact O-CB 3.45Å; H82-N85 PolarHBondContact O-N 3.49Å; H82-N85 VanDerWaalsContact O-N 3.13Å; H82-N85 PolarHBondContact O-ND2 3.06Å; H82-N85 VanDerWaalsContact O-ND2 3.09Å; G83-N85 VanDerWaalsContact C-N 3.35Å; N85-Y96 PolarHBondContact ND2-OH 3.25Å
86I97.5Very high97Very high88 Ų8846.7 Ų46.745%0.45125%0.246SC..EExtended strand (participates in β ladder)trans-117.9117.9168.6-55.6178.6000107.5L71 V79 L80 I81L71-I86 HydrophobicContact CD2-CD1 4.35Å; V79-I86 HydrophobicContact CG1-CG2 3.71Å; L80-I86 WeakPolarHBondContact O-CA 3.32Å; I81-I86 HydrophobicContact CG1-CG1 4.33Å
87I98.4Very high97.1Very high22 Ų2242.9 Ų42.911%0.11323%0.228CC..EExtended strand (participates in β ladder)trans-122.7120.5-175.2-46.2176.5000108.4V79 L80 Q92 I93 Y96V79-I87 WeakPolarHBondContact CA-O 3.48Å; L80-I87 HydrophobicContact CB-CB 4.46Å; L80-I87 HydrophobicContact CD2-CD1 4.47Å; L80-I87 PolarHBondContact N-O 3.5Å; L80-I87 PolarHBondContact O-N 3Å; I87-Q92 HydrophobicContact CG2-CB 3.81Å; I87-I93 HydrophobicContact CB-CG1 3.87Å; I87-I93 HydrophobicContact CG2-CB 4.49Å; I87-I93 HydrophobicContact CG2-CG1 3.62Å; I87-I93 WeakPolarHBondContact O-CD1 3.49Å; I87-Y96 HydrophobicContact CD1-CD1 3.56Å; I87-Y96 HydrophobicContact CD1-CD2 3.53Å; I87-Y96 HydrophobicContact CD1-CE1 4.08Å; I87-Y96 HydrophobicContact CD1-CE2 4.03Å; I87-Y96 HydrophobicContact CD1-CG 3.25Å
88C97.6Very high97Very high29 Ų2943.1 Ų43.120%0.19623%0.228CC..  trans-104.5-19.8-170.9-59.40000113.9N72 V79N72-C88 HydrophobicContact CB-CB 4.28Å; V79-C88 HydrophobicContact CG2-CB 4.49Å
89E96.2Very high96.9Very high84 Ų8449.9 Ų49.939%0.39326%0.26SS..  trans-94.9123.3-176.7-67.5-55.1133.500111.1T91 Q92 I93E89-T91 VanDerWaalsContact C-N 3.3Å; E89-T91 PolarHBondContact O-N 3.39Å; E89-Q92 HydrophobicContact CB-CB 4.07Å; E89-Q92 HydrophobicContact CB-CG 3.86Å; E89-Q92 CarbonylContact O-C 3.18Å; E89-Q92 WeakPolarHBondContact O-CA 3.49Å; E89-Q92 WeakPolarHBondContact O-CB 3.39Å; E89-Q92 PolarHBondContact O-N 2.83Å; E89-I93 WeakPolarHBondContact O-CG1 3.24Å; E89-I93 PolarHBondContact O-N 2.99Å
90A96.6Very high96.7Very high12 Ų1252.6 Ų52.610%0.09928%0.276CS..Hα-helixtrans-56.7-39.5-173.500000113.9V40 P78 I93 I94V40-A90 HydrophobicContact CG2-CB 3.98Å; P78-A90 HydrophobicContact CG-CB 4.38Å; A90-I93 PolarHBondContact O-N 3.2Å; A90-I94 VanDerWaalsContact O-CG1 3.28Å; A90-I94 WeakPolarHBondContact O-CG1 3.28Å; A90-I94 PolarHBondContact O-N 3.46Å
91T95.9Very high96.5Very high64 Ų6454.4 Ų54.439%0.39328%0.284SS..Hα-helixtrans-64.1-44.2176-55.70000111.1E89 I93 I94 D95 R125E89-T91 VanDerWaalsContact C-N 3.3Å; E89-T91 PolarHBondContact O-N 3.39Å; T91-I93 VanDerWaalsContact C-N 3.35Å; T91-I93 PolarHBondContact O-N 3.01Å; T91-I94 PolarHBondContact O-N 3Å; T91-D95 PolarHBondContact O-N 3.05Å; T91-R125 VanDerWaalsContact CG2-NH2 3.27Å
92Q97.9Very high96.1Very high118 Ų11857.1 Ų57.155%0.55130%0.299SS*.Hα-helixtrans-66.9-36.8177.3-62.2-179.621.500111.8I87 E89 D95 Y96I87-Q92 HydrophobicContact CG2-CB 3.81Å; E89-Q92 HydrophobicContact CB-CB 4.07Å; E89-Q92 HydrophobicContact CB-CG 3.86Å; E89-Q92 CarbonylContact O-C 3.18Å; E89-Q92 WeakPolarHBondContact O-CA 3.49Å; E89-Q92 WeakPolarHBondContact O-CB 3.39Å; E89-Q92 PolarHBondContact O-N 2.83Å; Q92-D95 PolarHBondContact O-N 3.3Å; Q92-Y96 WeakPolarHBondContact O-CB 3.32Å; Q92-Y96 PolarHBondContact O-N 2.81Å
93I98.6Very high95.7Very high0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-59.2-49.1172.8-67.9167.9000109.8V40 P78 L80 I87 E89 A90 T91 D95 Y96 L97V40-I93 HydrophobicContact CB-CG2 4.43Å; V40-I93 HydrophobicContact CG1-CG2 3.55Å; V40-I93 HydrophobicContact CG2-CB 4.2Å; V40-I93 HydrophobicContact CG2-CD1 4.48Å; V40-I93 HydrophobicContact CG2-CG2 3.95Å; P78-I93 HydrophobicContact CB-CD1 4.42Å; P78-I93 HydrophobicContact CG-CD1 3.93Å; L80-I93 HydrophobicContact CB-CD1 3.98Å; L80-I93 HydrophobicContact CB-CG1 3.82Å; L80-I93 HydrophobicContact CB-CG2 3.93Å; L80-I93 HydrophobicContact CD1-CG2 4.39Å; L80-I93 HydrophobicContact CD2-CG2 3.98Å; L80-I93 HydrophobicContact CG-CG2 4.32Å; I87-I93 HydrophobicContact CB-CG1 3.87Å; I87-I93 HydrophobicContact CG2-CB 4.49Å; I87-I93 HydrophobicContact CG2-CG1 3.62Å; I87-I93 WeakPolarHBondContact O-CD1 3.49Å; E89-I93 WeakPolarHBondContact O-CG1 3.24Å; E89-I93 PolarHBondContact O-N 2.99Å; A90-I93 PolarHBondContact O-N 3.2Å; T91-I93 VanDerWaalsContact C-N 3.35Å; T91-I93 PolarHBondContact O-N 3.01Å; I93-D95 PolarHBondContact O-N 3.49Å; I93-Y96 WeakPolarHBondContact O-CB 3.43Å; I93-Y96 PolarHBondContact O-N 3.33Å; I93-L97 HydrophobicContact CG2-CD1 4.05Å; I93-L97 HydrophobicContact CG2-CG 4.36Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.37Å; I93-L97 PolarHBondContact O-N 2.93Å
94I98.3Very high95.2Very high3 Ų367 Ų672%0.01534%0.336CS..Hα-helixtrans-62.3-45.4-179.8-68.4169.3000110.8K39 V40 V43 A90 T91 Y96 L97 E98 L246K39-I94 HydrophobicContact CB-CD1 4.19Å; V40-I94 HydrophobicContact CG2-CD1 4.37Å; V40-I94 HydrophobicContact CG2-CG1 4.08Å; V43-I94 HydrophobicContact CB-CG1 4.45Å; V43-I94 HydrophobicContact CG1-CG2 4.46Å; V43-I94 HydrophobicContact CG2-CD1 4.13Å; V43-I94 HydrophobicContact CG2-CG1 3.98Å; V43-I94 HydrophobicContact CG2-CG2 4.13Å; A90-I94 VanDerWaalsContact O-CG1 3.28Å; A90-I94 WeakPolarHBondContact O-CG1 3.28Å; A90-I94 PolarHBondContact O-N 3.46Å; T91-I94 PolarHBondContact O-N 3Å; I94-Y96 VanDerWaalsContact C-N 3.34Å; I94-Y96 PolarHBondContact O-N 3.5Å; I94-L97 PolarHBondContact O-N 3.4Å; I94-E98 PolarHBondContact O-N 3.05Å; I94-L246 HydrophobicContact CG2-CD1 3.88Å; I94-L246 HydrophobicContact CG2-CD2 3.59Å; I94-L246 HydrophobicContact CG2-CG 4.39Å
95D97.3Very high94.8Very high49 Ų4968.6 Ų68.626%0.26233%0.333SS..Hα-helixtrans-63.6-40.7177.8-69.4-35.4000111.9T91 Q92 I93 E98 Q99 R125T91-D95 PolarHBondContact O-N 3.05Å; Q92-D95 PolarHBondContact O-N 3.3Å; I93-D95 PolarHBondContact O-N 3.49Å; D95-E98 PolarHBondContact O-N 3.02Å; D95-Q99 WeakPolarHBondContact O-CB 3.25Å; D95-Q99 VanDerWaalsContact O-CG 3.22Å; D95-Q99 WeakPolarHBondContact O-CG 3.45Å; D95-Q99 PolarHBondContact O-N 3.37Å; D95-R125 IonicContact OD1-CZ 2.6Å; D95-R125 IonicContact OD1-NH1 3.13Å; D95-R125 PolarHBondContact OD1-NH1 2.69Å; D95-R125 IonicContact OD1-NH2 3.71Å; D95-R125 PolarHBondContact OD1-NH2 2.92Å; D95-R125 IonicContact OD2-NH1 3.79Å; D95-R125 IonicContact OD2-NH2 3.98Å; D95-R125 PolarHBondContact OD2-NH2 2.75Å; D95-R125 VanDerWaalsContact OD2-NH2 3.14Å
96Y98.1Very high94.5Very high43 Ų4365.6 Ų65.617%0.16932%0.318CS..Hα-helixtrans-60.9-46.1174.6177-97.5000111.8L80 H82 N85 I87 Q92 I93 I94 E98 Q99 T100L80-Y96 HydrophobicContact CD2-CD1 3.78Å; L80-Y96 HydrophobicContact CD2-CE1 4.07Å; H82-Y96 HydrophobicContact CB-CE1 4.04Å; H82-Y96 AromaticContact ND1-CE1 3.68Å; H82-Y96 AromaticContact ND1-CZ 3.63Å; H82-Y96 PolarHBondContact ND1-OH 2.92Å; N85-Y96 PolarHBondContact ND2-OH 3.25Å; I87-Y96 HydrophobicContact CD1-CD1 3.56Å; I87-Y96 HydrophobicContact CD1-CD2 3.53Å; I87-Y96 HydrophobicContact CD1-CE1 4.08Å; I87-Y96 HydrophobicContact CD1-CE2 4.03Å; I87-Y96 HydrophobicContact CD1-CG 3.25Å; Q92-Y96 WeakPolarHBondContact O-CB 3.32Å; Q92-Y96 PolarHBondContact O-N 2.81Å; I93-Y96 WeakPolarHBondContact O-CB 3.43Å; I93-Y96 PolarHBondContact O-N 3.33Å; I94-Y96 VanDerWaalsContact C-N 3.34Å; I94-Y96 PolarHBondContact O-N 3.5Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 2.78Å; Y96-Q99 PolarHBondContact O-N 3.44Å; Y96-T100 HydrophobicContact CE1-CG2 4.42Å; Y96-T100 WeakPolarHBondContact CE2-OG1 3.43Å; Y96-T100 WeakPolarHBondContact O-CB 3.32Å; Y96-T100 PolarHBondContact O-N 3.49Å; Y96-T100 PolarHBondContact O-OG1 3.36Å
97L97.4Very high94.3Very high0 Ų064.3 Ų64.30%032%0.315CS..Hα-helixtrans-62.7-40.9178.1-68.2175.2000111.6L26 V43 I44 K47 L49 L80 I93 I94 F101L26-L97 HydrophobicContact CD1-CD2 4.16Å; L26-L97 HydrophobicContact CD2-CD2 4.05Å; V43-L97 HydrophobicContact CG1-CB 4.49Å; V43-L97 HydrophobicContact CG1-CD1 4.03Å; I44-L97 HydrophobicContact CD1-CD1 4.24Å; I44-L97 HydrophobicContact CG1-CD1 3.58Å; K47-L97 HydrophobicContact CD-CB 4.34Å; K47-L97 WeakPolarHBondContact CE-O 3.19Å; L49-L97 HydrophobicContact CD1-CD2 3.89Å; L80-L97 HydrophobicContact CD2-CD2 3.94Å; L80-L97 HydrophobicContact CD2-CG 4.38Å; I93-L97 HydrophobicContact CG2-CD1 4.05Å; I93-L97 HydrophobicContact CG2-CG 4.36Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.37Å; I93-L97 PolarHBondContact O-N 2.93Å; I94-L97 PolarHBondContact O-N 3.4Å; L97-F101 HydrophobicContact CD2-CD2 4Å; L97-F101 HydrophobicContact CD2-CE2 3.71Å; L97-F101 PolarHBondContact O-N 2.88Å
98E95.8Very high94.1Very high16 Ų1669.2 Ų69.28%0.07533%0.333CS..Hα-helixtrans-66.9-35.7175.9-78.2-60.4106.100112.9K47 I94 D95 Y96 L102 L109 M110 L246K47-E98 WeakPolarHBondContact CD-OE1 3.2Å; K47-E98 WeakPolarHBondContact CE-OE1 3.15Å; K47-E98 IonicContact NZ-OE1 2.63Å; K47-E98 PolarHBondContact NZ-OE1 2.89Å; I94-E98 PolarHBondContact O-N 3.05Å; D95-E98 PolarHBondContact O-N 3.02Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 2.78Å; E98-L102 WeakPolarHBondContact O-CD2 3.3Å; E98-L109 PolarHBondContact OE2-N 3.29Å; E98-M110 PolarHBondContact OE2-N 2.97Å; E98-L246 HydrophobicContact CG-CD1 4.03Å; E98-L246 HydrophobicContact CG-CD2 4.46Å
99Q95.1Very high94.1Very high143 Ų14368.1 Ų68.167%0.66832%0.324SS*.Hα-helixtrans-83.5-27-178.1-69.2169.926.400113.4D95 Y96 L102D95-Q99 WeakPolarHBondContact O-CB 3.25Å; D95-Q99 VanDerWaalsContact O-CG 3.22Å; D95-Q99 WeakPolarHBondContact O-CG 3.45Å; D95-Q99 PolarHBondContact O-N 3.37Å; Y96-Q99 PolarHBondContact O-N 3.44Å; Q99-L102 WeakPolarHBondContact O-CD1 3.29Å
100T94.9Very high94Very high57 Ų5765.4 Ų65.435%0.3531%0.312SS..Hα-helixtrans-89.2-42.6-174-55.20000112.1Y96 L102Y96-T100 HydrophobicContact CE1-CG2 4.42Å; Y96-T100 WeakPolarHBondContact CE2-OG1 3.43Å; Y96-T100 WeakPolarHBondContact O-CB 3.32Å; Y96-T100 PolarHBondContact O-N 3.49Å; Y96-T100 PolarHBondContact O-OG1 3.36Å; T100-L102 PolarHBondContact O-N 2.88Å
101F94.1Very high93.9Very high39 Ų3966.3 Ų66.317%0.17132%0.317CS..  trans-102.284.5-174.5-59.5-83.7000110.5L26 L49 H82 L97 T106L26-F101 HydrophobicContact CD1-CE2 4.33Å; L26-F101 HydrophobicContact CD1-CZ 4.28Å; L26-F101 HydrophobicContact CD2-CE2 4.42Å; L26-F101 HydrophobicContact CD2-CZ 4.37Å; L49-F101 HydrophobicContact CD1-CB 4.49Å; L49-F101 HydrophobicContact CD1-CD2 3.79Å; L49-F101 HydrophobicContact CD1-CE2 4.19Å; L49-F101 HydrophobicContact CD1-CG 4.09Å; L49-F101 HydrophobicContact CD2-CB 3.85Å; L49-F101 HydrophobicContact CD2-CD1 3.75Å; L49-F101 HydrophobicContact CD2-CD2 4.21Å; L49-F101 HydrophobicContact CD2-CE1 4.36Å; L49-F101 HydrophobicContact CD2-CG 3.66Å; H82-F101 AromaticContact CE1-CZ 3.83Å; L97-F101 HydrophobicContact CD2-CD2 4Å; L97-F101 HydrophobicContact CD2-CE2 3.71Å; L97-F101 PolarHBondContact O-N 2.88Å; F101-T106 HydrophobicContact CB-CG2 3.97Å; F101-T106 WeakPolarHBondContact O-CG2 3.38Å
102L90.8Very high93.8Very high85 Ų8568 Ų6845%0.44532%0.324SS..  trans-109.37.5-174.3-63.6179.3000114E98 Q99 T100E98-L102 WeakPolarHBondContact O-CD2 3.3Å; Q99-L102 WeakPolarHBondContact O-CD1 3.29Å; T100-L102 PolarHBondContact O-N 2.88Å
103D88.1Confident93.5Very high76 Ų7670.6 Ų70.641%0.40633%0.333SS..SBendtrans-65.4152.9-179.966.496.8000111.8R105 T106D103-R105 PolarHBondContact O-N 3.46Å; D103-R105 WeakPolarHBondContact OD1-CB 3.47Å; D103-R105 PolarHBondContact OD1-N 2.9Å; D103-T106 VanDerWaalsContact CG-OG1 3.22Å; D103-T106 PolarHBondContact O-N 3.28Å; D103-T106 PolarHBondContact OD1-N 3.19Å; D103-T106 VanDerWaalsContact OD1-N 3.13Å; D103-T106 PolarHBondContact OD1-OG1 3.43Å; D103-T106 VanDerWaalsContact OD2-CB 3.26Å; D103-T106 WeakPolarHBondContact OD2-CB 3.19Å; D103-T106 PolarHBondContact OD2-OG1 2.94Å
104E81.4Confident93.2Very high204 Ų20474.5 Ų74.595%0.95337%0.373SS*.THydrogen-bonded Turntrans-59.3-21.2-175.5-66.9-177.2168.100114
105R84.4Confident93Very high229 Ų22976 Ų7686%0.86439%0.385SS*.THydrogen-bonded Turntrans-88.9-12.8-179.1-58.6178.8-179.3176.80.8112.4D103 P107D103-R105 PolarHBondContact O-N 3.46Å; D103-R105 WeakPolarHBondContact OD1-CB 3.47Å; D103-R105 PolarHBondContact OD1-N 2.9Å; R105-P107 WeakPolarHBondContact O-CD 3.17Å
106T90.8Very high92.7Very high16 Ų1680.4 Ų80.410%0.09841%0.405CS..SBendtrans-97.6112.7178.1-65.90000109.9K47 L49 F101 D103 R108K47-T106 HydrophobicContact CB-CG2 3.98Å; K47-T106 HydrophobicContact CG-CG2 4.47Å; L49-T106 HydrophobicContact CD2-CG2 4.04Å; F101-T106 HydrophobicContact CB-CG2 3.97Å; F101-T106 WeakPolarHBondContact O-CG2 3.38Å; D103-T106 VanDerWaalsContact CG-OG1 3.22Å; D103-T106 PolarHBondContact O-N 3.28Å; D103-T106 PolarHBondContact OD1-N 3.19Å; D103-T106 VanDerWaalsContact OD1-N 3.13Å; D103-T106 PolarHBondContact OD1-OG1 3.43Å; D103-T106 VanDerWaalsContact OD2-CB 3.26Å; D103-T106 WeakPolarHBondContact OD2-CB 3.19Å; D103-T106 PolarHBondContact OD2-OG1 2.94Å; T106-R108 PolarHBondContact O-N 2.97Å
107P92.6Very high92.5Very high62 Ų6281.8 Ų81.840%0.40341%0.411SS..  trans-55.1137.4174.7-26.935.7000112.2K47 R105K47-P107 PolarHBondContact NZ-O 3.41Å; R105-P107 WeakPolarHBondContact O-CD 3.17Å
108R94.3Very high92.4Very high125 Ų12584.2 Ų84.247%0.47242%0.42SS..  trans-87.1132.8167.9-65.4-172.4-179.3-161.8-1.7109.2T106 D112T106-R108 PolarHBondContact O-N 2.97Å; R108-D112 IonicContact NH1-OD1 2.94Å; R108-D112 PolarHBondContact NH1-OD1 2.89Å
109L96.7Very high92.4Very high5 Ų587.2 Ų87.23%0.02644%0.441CS..SBendtrans-101.9-12.8176.4-58.6179.2000111.5V43 E46 K47 E98 T245 L246 V249V43-L109 HydrophobicContact CB-CD1 4.35Å; V43-L109 HydrophobicContact CG1-CD1 4.07Å; V43-L109 HydrophobicContact CG2-CD1 4.21Å; E46-L109 HydrophobicContact CB-CD1 3.97Å; E46-L109 HydrophobicContact CB-CD2 4.01Å; K47-L109 HydrophobicContact CG-CD1 3.93Å; K47-L109 HydrophobicContact CG-CG 4.15Å; E98-L109 PolarHBondContact OE2-N 3.29Å; L109-T245 CarbonylContact O-C 3.44Å; L109-T245 WeakPolarHBondContact O-CA 3.35Å; L109-T245 WeakPolarHBondContact O-CB 3.46Å; L109-L246 HydrophobicContact CB-CD2 3.63Å; L109-L246 HydrophobicContact CB-CG 3.78Å; L109-L246 HydrophobicContact CD1-CD2 3.95Å; L109-L246 HydrophobicContact CG-CD2 4.47Å; L109-L246 PolarHBondContact O-N 2.96Å; L109-V249 HydrophobicContact CD1-CG2 4.31Å
110M95.7Very high92.5Very high28 Ų2883.1 Ų83.114%0.13842%0.419CS..SBendtrans-104.7127.7166.6-162.168.7-175.200110.1E98 Y118 V121 Q122 L246E98-M110 PolarHBondContact OE2-N 2.97Å; M110-Y118 HydrophobicContact CE-CD2 3.44Å; M110-Y118 VanDerWaalsContact CE-CD2 3.44Å; M110-Y118 HydrophobicContact CE-CE1 4.33Å; M110-Y118 HydrophobicContact CE-CE2 3.25Å; M110-Y118 HydrophobicContact CE-CG 4.09Å; M110-Y118 HydrophobicContact CG-CD2 4.1Å; M110-Y118 HydrophobicContact CG-CE2 3.87Å; M110-Y118 HydrophobicContact SD-CE2 4.41Å; M110-V121 HydrophobicContact CE-CB 4.19Å; M110-V121 HydrophobicContact CE-CG1 4.06Å; M110-V121 HydrophobicContact SD-CB 4.18Å; M110-V121 HydrophobicContact SD-CG1 3.47Å; M110-V121 WeakPolarHBondContact SD-CG1 3.42Å; M110-Q122 HydrophobicContact CE-CB 3.94Å; M110-L246 HydrophobicContact CB-CD1 4.39Å; M110-L246 HydrophobicContact SD-CD1 4.33Å
111P94.3Very high92.6Very high30 Ų3080.4 Ų80.420%0.19540%0.402CS..  trans-59.1162.5169.9-22.233.1000111.8Y118 V121P111-Y118 VanDerWaalsContact O-CD2 3.29Å; P111-Y118 WeakPolarHBondContact O-CD2 3.46Å; P111-V121 HydrophobicContact CG-CB 4.47Å; P111-V121 HydrophobicContact CG-CG2 3.78Å
112D92.4Very high92.8Very high101 Ų10181.9 Ų81.954%0.5441%0.41SS..  trans-63.7146.4171.9-65.8-41.5000110.9R108 G114 S115 Y118R108-D112 IonicContact NH1-OD1 2.94Å; R108-D112 PolarHBondContact NH1-OD1 2.89Å; D112-G114 PolarHBondContact O-N 3.08Å; D112-S115 WeakPolarHBondContact O-CB 3.47Å; D112-S115 PolarHBondContact O-N 3.43Å; D112-Y118 WeakPolarHBondContact O-CB 3.37Å
113K92.1Very high93.1Very high171 Ų17182 Ų8274%0.74341%0.408SS*.THydrogen-bonded Turntrans-55.9-26.9-176.8-70.4-176.8176-179.80114.5Y118K113-Y118 HydrophobicContact CB-CD2 4.47Å; K113-Y118 HydrophobicContact CB-CE2 4.4Å; K113-Y118 HydrophobicContact CG-CD2 4.14Å; K113-Y118 HydrophobicContact CG-CE1 4.36Å; K113-Y118 HydrophobicContact CG-CE2 3.62Å
114G93.4Very high93.6Very high82 Ų8279.3 Ų79.385%0.84539%0.392SS*.THydrogen-bonded Turntrans-83.5-7.5176.200000114.6D112D112-G114 PolarHBondContact O-N 3.08Å
115S93.7Very high94.3Very high36 Ų3671.1 Ų71.125%0.25235%0.353SS..SBendtrans-73.5141.5179.4-178.40000111.4D112 Y117 Y118D112-S115 WeakPolarHBondContact O-CB 3.47Å; D112-S115 PolarHBondContact O-N 3.43Å; S115-Y117 PolarHBondContact O-N 2.8Å; S115-Y117 VanDerWaalsContact O-N 3.12Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.34Å; S115-Y117 PolarHBondContact OG-N 2.95Å; S115-Y118 WeakPolarHBondContact O-CB 2.92Å; S115-Y118 PolarHBondContact O-N 2.83Å; S115-Y118 VanDerWaalsContact O-N 3.11Å
116M91.2Very high95Very high140 Ų14065.3 Ų65.369%0.6934%0.336SS*.THydrogen-bonded Turntrans-60.8-20.8172.870.8176.6-171.800113.3
117Y92.8Very high95.3Very high73 Ų7366 Ų6629%0.28634%0.338SS..THydrogen-bonded Turntrans-80.9-25.3178.2-57.1-66.7000113.1S115 R120 V121 C240S115-Y117 PolarHBondContact O-N 2.8Å; S115-Y117 VanDerWaalsContact O-N 3.12Å; S115-Y117 WeakPolarHBondContact OG-CD2 3.34Å; S115-Y117 PolarHBondContact OG-N 2.95Å; Y117-R120 WeakPolarHBondContact O-CB 3.35Å; Y117-R120 PolarHBondContact O-N 3.48Å; Y117-V121 WeakPolarHBondContact O-CG2 3.35Å; Y117-V121 PolarHBondContact O-N 2.59Å; Y117-C240 WeakPolarHBondContact CD1-O 3.42Å
118Y95.9Very high95.6Very high50 Ų5063 Ų6320%0.19632%0.319CS..Hα-helixtrans-53-53.9-176.8-179.5-88.8000114M110 P111 D112 K113 S115 R120 V121 Q122M110-Y118 HydrophobicContact CE-CD2 3.44Å; M110-Y118 VanDerWaalsContact CE-CD2 3.44Å; M110-Y118 HydrophobicContact CE-CE1 4.33Å; M110-Y118 HydrophobicContact CE-CE2 3.25Å; M110-Y118 HydrophobicContact CE-CG 4.09Å; M110-Y118 HydrophobicContact CG-CD2 4.1Å; M110-Y118 HydrophobicContact CG-CE2 3.87Å; M110-Y118 HydrophobicContact SD-CE2 4.41Å; P111-Y118 VanDerWaalsContact O-CD2 3.29Å; P111-Y118 WeakPolarHBondContact O-CD2 3.46Å; D112-Y118 WeakPolarHBondContact O-CB 3.37Å; K113-Y118 HydrophobicContact CB-CD2 4.47Å; K113-Y118 HydrophobicContact CB-CE2 4.4Å; K113-Y118 HydrophobicContact CG-CD2 4.14Å; K113-Y118 HydrophobicContact CG-CE1 4.36Å; K113-Y118 HydrophobicContact CG-CE2 3.62Å; S115-Y118 WeakPolarHBondContact O-CB 2.92Å; S115-Y118 PolarHBondContact O-N 2.83Å; S115-Y118 VanDerWaalsContact O-N 3.11Å; Y118-R120 PolarHBondContact O-N 2.78Å; Y118-V121 PolarHBondContact O-N 3.35Å; Y118-Q122 PolarHBondContact O-N 2.55Å; Y118-Q122 PolarHBondContact OH-OE1 3.33Å
119P96.7Very high95.6Very high79 Ų7959.2 Ų59.251%0.51331%0.308SS..Hα-helixtrans-62.6-32.3-178.923.9-34.6000112.5H123P119-H123 WeakPolarHBondContact O-CB 3.38Å; P119-H123 PolarHBondContact O-N 3.09Å
120R95.7Very high95.6Very high57 Ų5762.9 Ų62.922%0.21533%0.334CS..Hα-helixtrans-68.6-47.6176.9-171.2-170.9-69.5146.6-3.4111.4Y117 Y118 Q122 H123 Y124 E222 C240Y117-R120 WeakPolarHBondContact O-CB 3.35Å; Y117-R120 PolarHBondContact O-N 3.48Å; Y118-R120 PolarHBondContact O-N 2.78Å; R120-Q122 VanDerWaalsContact C-N 3.29Å; R120-Q122 PolarHBondContact O-N 3.43Å; R120-H123 PolarHBondContact O-N 2.85Å; R120-Y124 HydrophobicContact CG-CD2 3.89Å; R120-Y124 HydrophobicContact CG-CE2 3.96Å; R120-Y124 WeakPolarHBondContact O-CD2 3.35Å; R120-Y124 PolarHBondContact O-N 2.85Å; R120-E222 WeakPolarHBondContact CD-OE1 3.39Å; R120-E222 IonicContact CZ-OE1 3.75Å; R120-E222 IonicContact NE-OE1 3.26Å; R120-E222 PolarHBondContact NE-OE1 3.3Å; R120-C240 HydrophobicContact CG-CB 4.17Å; R120-C240 PolarHBondContact NH1-O 3.47Å
121V97.9Very high95.6Very high0 Ų062.2 Ų62.20%033%0.331CS..Hα-helixtrans-60.1-43.1176.7176.80000110.4M110 P111 Y117 Y118 R125 C240 T245 L246 A247M110-V121 HydrophobicContact CE-CB 4.19Å; M110-V121 HydrophobicContact CE-CG1 4.06Å; M110-V121 HydrophobicContact SD-CB 4.18Å; M110-V121 HydrophobicContact SD-CG1 3.47Å; M110-V121 WeakPolarHBondContact SD-CG1 3.42Å; P111-V121 HydrophobicContact CG-CB 4.47Å; P111-V121 HydrophobicContact CG-CG2 3.78Å; Y117-V121 WeakPolarHBondContact O-CG2 3.35Å; Y117-V121 PolarHBondContact O-N 2.59Å; Y118-V121 PolarHBondContact O-N 3.35Å; V121-R125 WeakPolarHBondContact O-CB 3.46Å; V121-R125 PolarHBondContact O-N 2.93Å; V121-C240 HydrophobicContact CG2-CB 3.48Å; V121-C240 VanDerWaalsContact CG2-CB 3.48Å; V121-T245 HydrophobicContact CG2-CG2 3.8Å; V121-L246 HydrophobicContact CG1-CB 4.47Å; V121-A247 HydrophobicContact CG1-CB 4.16Å
122Q97.2Very high95.7Very high70 Ų7062.3 Ų62.333%0.32733%0.331SS..Hα-helixtrans-61.1-49.2177-174.7170.2-1200111.5M110 Y118 R120 Y124 R125 E126M110-Q122 HydrophobicContact CE-CB 3.94Å; Y118-Q122 PolarHBondContact O-N 2.55Å; Y118-Q122 PolarHBondContact OH-OE1 3.33Å; R120-Q122 VanDerWaalsContact C-N 3.29Å; R120-Q122 PolarHBondContact O-N 3.43Å; Q122-Y124 PolarHBondContact O-N 3.46Å; Q122-R125 PolarHBondContact O-N 2.9Å; Q122-E126 HydrophobicContact CG-CG 4.45Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.37Å; Q122-E126 PolarHBondContact NE2-OE1 3.39Å; Q122-E126 WeakPolarHBondContact O-CB 3.42Å; Q122-E126 WeakPolarHBondContact O-CG 3.45Å; Q122-E126 PolarHBondContact O-N 3Å
123H97.8Very high95.8Very high87 Ų8757.8 Ų57.840%0.40331%0.307SS..Hα-helixtrans-57-52.5179.7175.164.3000112.6P119 R120 E126 L127P119-H123 WeakPolarHBondContact O-CB 3.38Å; P119-H123 PolarHBondContact O-N 3.09Å; R120-H123 PolarHBondContact O-N 2.85Å; H123-E126 PolarHBondContact O-N 3.41Å; H123-L127 VanDerWaalsContact O-CB 3.29Å; H123-L127 WeakPolarHBondContact O-CB 3.04Å; H123-L127 PolarHBondContact O-N 3.19Å
124Y98.4Very high95.7Very high20 Ų2052.3 Ų52.38%0.07829%0.286CS..Hα-helixtrans-70.6-34.2-178-80.1-73.1000112.9R120 Q122 L127 L128 V219 E222 L239R120-Y124 HydrophobicContact CG-CD2 3.89Å; R120-Y124 HydrophobicContact CG-CE2 3.96Å; R120-Y124 WeakPolarHBondContact O-CD2 3.35Å; R120-Y124 PolarHBondContact O-N 2.85Å; Q122-Y124 PolarHBondContact O-N 3.46Å; Y124-L127 HydrophobicContact CD1-CD2 4.17Å; Y124-L127 HydrophobicContact CE1-CD2 4.25Å; Y124-L127 PolarHBondContact O-N 2.98Å; Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 VanDerWaalsContact O-CD1 3.31Å; Y124-L128 WeakPolarHBondContact O-CD1 3.16Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.42Å; Y124-V219 HydrophobicContact CD1-CG2 4.28Å; Y124-V219 HydrophobicContact CE1-CG2 4.27Å; Y124-E222 HydrophobicContact CE1-CB 4.4Å; Y124-E222 HydrophobicContact CE2-CB 4.25Å; Y124-E222 HydrophobicContact CE2-CG 3.7Å; Y124-E222 WeakPolarHBondContact OH-CB 3.34Å; Y124-E222 WeakPolarHBondContact OH-CG 3.42Å; Y124-L239 HydrophobicContact CD1-CD1 4.47Å; Y124-L239 HydrophobicContact CD1-CD2 4.04Å; Y124-L239 HydrophobicContact CD1-CG 4.48Å; Y124-L239 HydrophobicContact CD2-CG 4.44Å; Y124-L239 HydrophobicContact CG-CD2 3.85Å; Y124-L239 HydrophobicContact CG-CG 4.21Å
125R97.4Very high95.7Very high32 Ų3248.5 Ų48.512%0.12125%0.246CC..Hα-helixtrans-58.6-51.7171.6178.2-171.2169.4-163.61.2110.5T91 D95 V121 Q122 L128 D129T91-R125 VanDerWaalsContact CG2-NH2 3.27Å; D95-R125 IonicContact OD1-CZ 2.6Å; D95-R125 IonicContact OD1-NH1 3.13Å; D95-R125 PolarHBondContact OD1-NH1 2.69Å; D95-R125 IonicContact OD1-NH2 3.71Å; D95-R125 PolarHBondContact OD1-NH2 2.92Å; D95-R125 IonicContact OD2-NH1 3.79Å; D95-R125 IonicContact OD2-NH2 3.98Å; D95-R125 PolarHBondContact OD2-NH2 2.75Å; D95-R125 VanDerWaalsContact OD2-NH2 3.14Å; V121-R125 WeakPolarHBondContact O-CB 3.46Å; V121-R125 PolarHBondContact O-N 2.93Å; Q122-R125 PolarHBondContact O-N 2.9Å; R125-L128 PolarHBondContact O-N 2.93Å; R125-D129 IonicContact NE-OD2 3.12Å; R125-D129 WeakPolarHBondContact O-CB 3.25Å; R125-D129 PolarHBondContact O-N 3.22Å
126E97.3Very high95.7Very high108 Ų10846.9 Ų46.951%0.50524%0.235SC..Hα-helixtrans-62-45179.4-72.5171.5-171.800111.5Q122 H123 L128 D129 S130Q122-E126 HydrophobicContact CG-CG 4.45Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.37Å; Q122-E126 PolarHBondContact NE2-OE1 3.39Å; Q122-E126 WeakPolarHBondContact O-CB 3.42Å; Q122-E126 WeakPolarHBondContact O-CG 3.45Å; Q122-E126 PolarHBondContact O-N 3Å; H123-E126 PolarHBondContact O-N 3.41Å; E126-L128 PolarHBondContact O-N 3.38Å; E126-D129 PolarHBondContact O-N 3.25Å; E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 2.97Å
127L98.1Very high95.6Very high29 Ų2941.2 Ų41.215%0.15221%0.208CC..Hα-helixtrans-57.9-48.8178.2-176.565000111.5H123 Y124 S130 V215 Q218H123-L127 VanDerWaalsContact O-CB 3.29Å; H123-L127 WeakPolarHBondContact O-CB 3.04Å; H123-L127 PolarHBondContact O-N 3.19Å; Y124-L127 HydrophobicContact CD1-CD2 4.17Å; Y124-L127 HydrophobicContact CE1-CD2 4.25Å; Y124-L127 PolarHBondContact O-N 2.98Å; L127-S130 PolarHBondContact O-N 3.09Å; L127-S130 PolarHBondContact O-OG 3.16Å; L127-V215 HydrophobicContact CD1-CG2 3.98Å; L127-V215 HydrophobicContact CD2-CG1 4.08Å; L127-V215 HydrophobicContact CG-CG1 3.94Å; L127-V215 HydrophobicContact CG-CG2 4.28Å; L127-Q218 HydrophobicContact CD2-CB 4.44Å
128L98.1Very high95.3Very high1 Ų140.9 Ų40.91%0.00521%0.209CC..Hα-helixtrans-72.9-35-178.6-68.1163.5000112.5Y124 R125 E126 S130 L131 V215 V219 L239 L251Y124-L128 VanDerWaalsContact O-CB 3.3Å; Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 VanDerWaalsContact O-CD1 3.31Å; Y124-L128 WeakPolarHBondContact O-CD1 3.16Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.42Å; R125-L128 PolarHBondContact O-N 2.93Å; E126-L128 PolarHBondContact O-N 3.38Å; L128-S130 VanDerWaalsContact C-N 3.25Å; L128-S130 PolarHBondContact O-N 3.38Å; L128-L131 HydrophobicContact CD2-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.41Å; L128-L131 WeakPolarHBondContact O-CG 3.37Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-V215 HydrophobicContact CD2-CG1 4.19Å; L128-V219 HydrophobicContact CD2-CG2 4.31Å; L128-L239 HydrophobicContact CD1-CD2 4.18Å; L128-L251 HydrophobicContact CD1-CB 3.67Å; L128-L251 HydrophobicContact CD1-CD1 4.32Å; L128-L251 HydrophobicContact CD2-CD1 3.88Å
129D95.3Very high94.9Very high44 Ų4438.5 Ų38.524%0.23520%0.2CC..Hα-helixtrans-74.9-18.3179.1-70.61.3000112.3K39 R125 E126 L131 S250K39-D129 IonicContact NZ-OD1 2.79Å; K39-D129 PolarHBondContact NZ-OD1 2.85Å; K39-D129 IonicContact NZ-OD2 2.65Å; K39-D129 PolarHBondContact NZ-OD2 2.98Å; R125-D129 IonicContact NE-OD2 3.12Å; R125-D129 WeakPolarHBondContact O-CB 3.25Å; R125-D129 PolarHBondContact O-N 3.22Å; E126-D129 PolarHBondContact O-N 3.25Å; D129-L131 VanDerWaalsContact C-N 3.25Å; D129-L131 PolarHBondContact O-N 3.18Å; D129-S250 VanDerWaalsContact OD1-CB 3.31Å; D129-S250 WeakPolarHBondContact OD1-CB 3.49Å; D129-S250 PolarHBondContact OD1-OG 2.85Å
130S95.9Very high94.4Very high82 Ų8235.1 Ų35.157%0.57318%0.178SC*.THydrogen-bonded Turntrans-74.1-14.5174.178.20000113.8E126 L127 L128E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 2.97Å; L127-S130 PolarHBondContact O-N 3.09Å; L127-S130 PolarHBondContact O-OG 3.16Å; L128-S130 VanDerWaalsContact C-N 3.25Å; L128-S130 PolarHBondContact O-N 3.38Å
131L96.7Very high93.8Very high15 Ų1533 Ų338%0.07917%0.171CC..SBendtrans-65.9127.8179.9-69.3173.9000111.3L128 D129 M133 Y136 L212 V215 T254L128-L131 HydrophobicContact CD2-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.41Å; L128-L131 WeakPolarHBondContact O-CG 3.37Å; L128-L131 PolarHBondContact O-N 3.42Å; D129-L131 VanDerWaalsContact C-N 3.25Å; D129-L131 PolarHBondContact O-N 3.18Å; L131-M133 HydrophobicContact CB-CG 4.38Å; L131-M133 HydrophobicContact CB-SD 4.1Å; L131-M133 PolarHBondContact O-N 3.4Å; L131-Y136 HydrophobicContact CB-CE2 4.19Å; L131-Y136 HydrophobicContact CD2-CE2 4.47Å; L131-L212 HydrophobicContact CD1-CD1 3.87Å; L131-L212 HydrophobicContact CD2-CB 4.5Å; L131-L212 HydrophobicContact CD2-CD1 3.97Å; L131-V215 HydrophobicContact CD1-CG1 4.31Å; L131-V215 HydrophobicContact CD2-CB 4.33Å; L131-V215 HydrophobicContact CD2-CG1 4.44Å; L131-V215 HydrophobicContact CD2-CG2 4.05Å; L131-T254 HydrophobicContact CD1-CG2 3.85Å
132P95.4Very high93.1Very high31 Ų3134.2 Ų34.220%0.20118%0.177CC..  trans-77.172.1-179.433.2-38.1000111.6D134 A135 Y136 I208P132-D134 PolarHBondContact O-N 3.48Å; P132-A135 HydrophobicContact CB-CB 3.97Å; P132-A135 HydrophobicContact CG-CB 4.46Å; P132-A135 WeakPolarHBondContact O-CB 3.31Å; P132-A135 PolarHBondContact O-N 3.11Å; P132-Y136 WeakPolarHBondContact CD-OH 3.23Å; P132-Y136 HydrophobicContact CG-CE1 4.24Å; P132-Y136 HydrophobicContact CG-CE2 4.31Å; P132-Y136 WeakPolarHBondContact O-CD2 3.31Å; P132-Y136 PolarHBondContact O-N 3.44Å; P132-Y136 VanDerWaalsContact O-N 3.07Å; P132-I208 HydrophobicContact CG-CB 4.17Å; P132-I208 HydrophobicContact CG-CD1 3.96Å; P132-I208 HydrophobicContact CG-CG2 4.28Å
133M94.5Very high92.6Very high7 Ų731.9 Ų31.93%0.03417%0.166CC..Hα-helixtrans-63.7-27-174.3-65.9-56.1-57.300113.7F35 L131 Y136 T137 T254 R257 L258F35-M133 HydrophobicContact CD1-CB 3.85Å; F35-M133 HydrophobicContact CD1-CG 3.96Å; F35-M133 HydrophobicContact CD2-CB 4.35Å; F35-M133 HydrophobicContact CD2-CE 4.21Å; F35-M133 HydrophobicContact CD2-CG 4.26Å; F35-M133 HydrophobicContact CE1-CB 4.02Å; F35-M133 HydrophobicContact CE1-CG 3.59Å; F35-M133 HydrophobicContact CE2-CB 4.49Å; F35-M133 HydrophobicContact CE2-CE 4Å; F35-M133 HydrophobicContact CE2-CG 3.91Å; F35-M133 HydrophobicContact CE2-SD 4.48Å; F35-M133 HydrophobicContact CG-CB 4.03Å; F35-M133 HydrophobicContact CG-CG 4.28Å; F35-M133 HydrophobicContact CZ-CB 4.35Å; F35-M133 HydrophobicContact CZ-CG 3.58Å; F35-M133 HydrophobicContact CZ-SD 4.48Å; L131-M133 HydrophobicContact CB-CG 4.38Å; L131-M133 HydrophobicContact CB-SD 4.1Å; L131-M133 PolarHBondContact O-N 3.4Å; M133-Y136 HydrophobicContact CE-CD2 4.23Å; M133-Y136 HydrophobicContact SD-CD2 3.6Å; M133-Y136 HydrophobicContact SD-CE2 3.9Å; M133-T137 WeakPolarHBondContact O-CB 3.38Å; M133-T137 PolarHBondContact O-N 3.06Å; M133-T137 PolarHBondContact O-OG1 2.6Å; M133-T254 HydrophobicContact SD-CG2 4.18Å; M133-R257 HydrophobicContact CE-CB 3.65Å; M133-R257 HydrophobicContact CE-CG 3.28Å; M133-L258 HydrophobicContact CE-CD2 4.32Å; M133-L258 HydrophobicContact CE-CG 4.47Å
134D90.8Very high92.1Very high56 Ų5630.6 Ų30.630%0.29917%0.166SC..Hα-helixtrans-70.7-39.2172.865.3-26.9000111.7P132 T137 H138 K195 H199P132-D134 PolarHBondContact O-N 3.48Å; D134-T137 PolarHBondContact O-N 3.45Å; D134-H138 WeakPolarHBondContact O-CB 3.39Å; D134-H138 VanDerWaalsContact O-CG 3.3Å; D134-H138 PolarHBondContact O-N 2.79Å; D134-H138 PolarHBondContact O-ND1 3.4Å; D134-K195 IonicContact OD2-NZ 3.14Å; D134-K195 PolarHBondContact OD2-NZ 3.14Å; D134-H199 IonicContact OD2-CE1 3.98Å
135A92.6Very high91.6Very high1 Ų135.8 Ų35.81%0.00819%0.191CC..Hα-helixtrans-64.1-43.1173.300000111.9P132 T137 G139 H199 Y204 I208P132-A135 HydrophobicContact CB-CB 3.97Å; P132-A135 HydrophobicContact CG-CB 4.46Å; P132-A135 WeakPolarHBondContact O-CB 3.31Å; P132-A135 PolarHBondContact O-N 3.11Å; A135-T137 PolarHBondContact O-N 3.47Å; A135-G139 WeakPolarHBondContact O-CA 3.33Å; A135-G139 PolarHBondContact O-N 2.61Å; A135-H199 WeakPolarHBondContact CA-NE2 3.38Å; A135-Y204 HydrophobicContact CB-CE1 4.31Å; A135-I208 HydrophobicContact CB-CD1 3.57Å
136Y93.2Very high91.1Very high3 Ų335.6 Ų35.61%0.01219%0.192CC..Hα-helixtrans-61.8-45.7173.3-56-39.3000111.5L131 P132 M133 C140 I208 L209 L212L131-Y136 HydrophobicContact CB-CE2 4.19Å; L131-Y136 HydrophobicContact CD2-CE2 4.47Å; P132-Y136 WeakPolarHBondContact CD-OH 3.23Å; P132-Y136 HydrophobicContact CG-CE1 4.24Å; P132-Y136 HydrophobicContact CG-CE2 4.31Å; P132-Y136 WeakPolarHBondContact O-CD2 3.31Å; P132-Y136 PolarHBondContact O-N 3.44Å; P132-Y136 VanDerWaalsContact O-N 3.07Å; M133-Y136 HydrophobicContact CE-CD2 4.23Å; M133-Y136 HydrophobicContact SD-CD2 3.6Å; M133-Y136 HydrophobicContact SD-CE2 3.9Å; Y136-C140 WeakPolarHBondContact O-CB 3.48Å; Y136-C140 PolarHBondContact O-N 2.94Å; Y136-C140 PolarHBondContact O-SG 3.15Å; Y136-I208 HydrophobicContact CD1-CD1 3.73Å; Y136-I208 HydrophobicContact CD1-CG1 4.18Å; Y136-I208 HydrophobicContact CE1-CB 3.91Å; Y136-I208 HydrophobicContact CE1-CD1 3.52Å; Y136-I208 HydrophobicContact CE1-CG1 3.61Å; Y136-I208 WeakPolarHBondContact CE1-O 3.47Å; Y136-I208 PolarHBondContact OH-O 3.38Å; Y136-L209 HydrophobicContact CD1-CD2 3.83Å; Y136-L209 HydrophobicContact CD1-CG 4.44Å; Y136-L209 HydrophobicContact CE1-CD2 3.98Å; Y136-L209 HydrophobicContact CE1-CG 4.4Å; Y136-L212 HydrophobicContact CE2-CD2 4.36Å
137T89.2Confident90.7Very high21 Ų2131.5 Ų31.513%0.12917%0.174CC..Hα-helixtrans-64.4-51.1-176.5-60.20000111.3M133 D134 A135 I141 L261M133-T137 WeakPolarHBondContact O-CB 3.38Å; M133-T137 PolarHBondContact O-N 3.06Å; M133-T137 PolarHBondContact O-OG1 2.6Å; D134-T137 PolarHBondContact O-N 3.45Å; A135-T137 PolarHBondContact O-N 3.47Å; T137-I141 HydrophobicContact CG2-CD1 4.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.49Å; T137-I141 WeakPolarHBondContact O-CG1 3.42Å; T137-I141 PolarHBondContact O-N 3.46Å; T137-L261 HydrophobicContact CG2-CD2 4.36Å
138H87.1Confident90.1Very high65 Ų6533.9 Ų33.930%0.30119%0.19SC..Hα-helixtrans-70.4-41179.5-61.4130.2000112D134 C140 I141 L142 H199D134-H138 WeakPolarHBondContact O-CB 3.39Å; D134-H138 VanDerWaalsContact O-CG 3.3Å; D134-H138 PolarHBondContact O-N 2.79Å; D134-H138 PolarHBondContact O-ND1 3.4Å; H138-C140 VanDerWaalsContact C-N 3.32Å; H138-C140 PolarHBondContact O-N 3.01Å; H138-I141 WeakPolarHBondContact O-CB 3.36Å; H138-I141 PolarHBondContact O-N 2.83Å; H138-L142 WeakPolarHBondContact O-CG 3.49Å; H138-L142 PolarHBondContact O-N 3.49Å; H138-H199 HydrophobicContact CB-CB 3.94Å; H138-H199 WeakPolarHBondContact CB-ND1 3.48Å; H138-H199 AromaticContact CG-ND1 3.56Å; H138-H199 AromaticContact ND1-CE1 3.38Å; H138-H199 PolarHBondContact ND1-CE1 3.21Å; H138-H199 AromaticContact ND1-ND1 3.05Å; H138-H199 PolarHBondContact ND1-ND1 2.97Å
139G88.1Confident89.5Confident1 Ų139.1 Ų39.11%0.0122%0.218CC..Hα-helixtrans-58-42.5178.600000112.5A135 I141 L142 H143A135-G139 WeakPolarHBondContact O-CA 3.33Å; A135-G139 PolarHBondContact O-N 2.61Å; G139-I141 VanDerWaalsContact C-N 3.3Å; G139-I141 PolarHBondContact O-N 3.43Å; G139-L142 PolarHBondContact O-N 3.36Å; G139-H143 WeakPolarHBondContact O-CA 3.24Å; G139-H143 WeakPolarHBondContact O-CB 3.43Å; G139-H143 PolarHBondContact O-N 2.76Å
140C85.1Confident89.1Confident8 Ų839 Ų395%0.05422%0.22CC..Hα-helixtrans-65.8-31.3175.8-65.70000113.5Y136 H138 H143 P144 T147 L261 F263Y136-C140 WeakPolarHBondContact O-CB 3.48Å; Y136-C140 PolarHBondContact O-N 2.94Å; Y136-C140 PolarHBondContact O-SG 3.15Å; H138-C140 VanDerWaalsContact C-N 3.32Å; H138-C140 PolarHBondContact O-N 3.01Å; C140-H143 CarbonylContact O-C 3.59Å; C140-P144 WeakPolarHBondContact O-CA 3.14Å; C140-T147 HydrophobicContact CB-CG2 3.71Å; C140-T147 WeakPolarHBondContact SG-CG2 3.28Å; C140-L261 HydrophobicContact CB-CD2 4.26Å; C140-F263 WeakPolarHBondContact SG-CE2 3.35Å; C140-F263 WeakPolarHBondContact SG-CZ 3.38Å
141I83.4Confident88.8Confident12 Ų1238.4 Ų38.46%0.06221%0.209CC..Hα-helixtrans-71.8-41.6176.4-68.3158.9000109.8T137 H138 G139 I152 T157 I160T137-I141 HydrophobicContact CG2-CD1 4.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.49Å; T137-I141 WeakPolarHBondContact O-CG1 3.42Å; T137-I141 PolarHBondContact O-N 3.46Å; H138-I141 WeakPolarHBondContact O-CB 3.36Å; H138-I141 PolarHBondContact O-N 2.83Å; G139-I141 VanDerWaalsContact C-N 3.3Å; G139-I141 PolarHBondContact O-N 3.43Å; I141-I152 HydrophobicContact CD1-CD1 4.48Å; I141-I152 HydrophobicContact CG1-CD1 3.9Å; I141-T157 HydrophobicContact CG2-CG2 4.13Å; I141-T157 WeakPolarHBondContact O-CG2 3.39Å; I141-I160 HydrophobicContact CD1-CD1 3.7Å; I141-I160 HydrophobicContact CD1-CG2 4.39Å; I141-I160 HydrophobicContact CG1-CD1 4.18Å; I141-I160 HydrophobicContact CG2-CB 3.95Å; I141-I160 HydrophobicContact CG2-CD1 4.04Å; I141-I160 HydrophobicContact CG2-CG2 3.82Å
142L83.3Confident88.1Confident25 Ų2538.9 Ų38.913%0.13121%0.212CC..Hα-helixtrans-73.6-38.8-179.4-64.1174.7000111.9H138 G139 P144 R161 H199 D200H138-L142 WeakPolarHBondContact O-CG 3.49Å; H138-L142 PolarHBondContact O-N 3.49Å; G139-L142 PolarHBondContact O-N 3.36Å; L142-P144 VanDerWaalsContact C-CD 3.48Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; L142-R161 HydrophobicContact CD2-CG 3.84Å; L142-H199 HydrophobicContact CD1-CB 4.44Å; L142-D200 HydrophobicContact CD1-CB 4.04Å
143H87.3Confident87.3Confident22 Ų2239 Ų3910%0.10221%0.213CC..  trans-124.167.5-173.5-57.4-72.6000111.1G139 C140 E145 L146 D200 V202G139-H143 WeakPolarHBondContact O-CA 3.24Å; G139-H143 WeakPolarHBondContact O-CB 3.43Å; G139-H143 PolarHBondContact O-N 2.76Å; C140-H143 CarbonylContact O-C 3.59Å; H143-E145 WeakPolarHBondContact CA-OE2 3.36Å; H143-E145 WeakPolarHBondContact CB-OE1 3.32Å; H143-E145 IonicContact CG-OE1 3.66Å; H143-E145 IonicContact ND1-OE1 3.97Å; H143-E145 PolarHBondContact O-N 3.44Å; H143-E145 VanDerWaalsContact O-N 3.13Å; H143-L146 HydrophobicContact CB-CD1 3.7Å; H143-L146 HydrophobicContact CB-CG 3.94Å; H143-L146 WeakPolarHBondContact O-CB 3.21Å; H143-L146 PolarHBondContact O-N 2.68Å; H143-D200 IonicContact CD2-OD1 3.94Å; H143-D200 IonicContact CE1-OD1 3.59Å; H143-D200 PolarHBondContact CE1-OD1 2.95Å; H143-D200 VanDerWaalsContact CE1-OD1 3.22Å; H143-D200 PolarHBondContact NE2-O 3.45Å; H143-D200 IonicContact NE2-OD1 3.99Å; H143-D200 PolarHBondContact NE2-OD1 3.23Å; H143-V202 WeakPolarHBondContact CE1-CG2 3.49Å; H143-V202 WeakPolarHBondContact ND1-CG2 3.43Å
144P86.4Confident86.4Confident60 Ų6042.7 Ų42.739%0.3924%0.244SC..G310 helixtrans-60.5-23.1-175.225.2-34.9000113.7C140 L142 L146 T147C140-P144 WeakPolarHBondContact O-CA 3.14Å; L142-P144 VanDerWaalsContact C-CD 3.48Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; P144-L146 PolarHBondContact O-N 3.37Å; P144-T147 PolarHBondContact O-N 3.46Å; P144-T147 VanDerWaalsContact O-N 3.09Å; P144-T147 PolarHBondContact O-OG1 3.48Å
145E87.4Confident85.5Confident129 Ų12945.6 Ų45.660%0.60325%0.251SS*.G310 helixtrans-63.2-14.617571.9-77.8-178.300114.2H143 T147H143-E145 WeakPolarHBondContact CA-OE2 3.36Å; H143-E145 WeakPolarHBondContact CB-OE1 3.32Å; H143-E145 IonicContact CG-OE1 3.66Å; H143-E145 IonicContact ND1-OE1 3.97Å; H143-E145 PolarHBondContact O-N 3.44Å; H143-E145 VanDerWaalsContact O-N 3.13Å; E145-T147 VanDerWaalsContact C-N 3.26Å
146L88.3Confident84.5Confident28 Ų2846.3 Ų46.315%0.14726%0.258CS..G310 helixtrans-79.1-9.1174.2-61.1179.6000113.3H143 P144 L205H143-L146 HydrophobicContact CB-CD1 3.7Å; H143-L146 HydrophobicContact CB-CG 3.94Å; H143-L146 WeakPolarHBondContact O-CB 3.21Å; H143-L146 PolarHBondContact O-N 2.68Å; P144-L146 PolarHBondContact O-N 3.37Å; L146-L205 HydrophobicContact CD1-CB 4.17Å; L146-L205 HydrophobicContact CD1-CD1 3.82Å
147T87.9Confident83.5Confident21 Ų2147 Ų4713%0.12926%0.262CS..  trans-122155.5-172.168.10000112.4C140 P144 E145 L261 F263C140-T147 HydrophobicContact CB-CG2 3.71Å; C140-T147 WeakPolarHBondContact SG-CG2 3.28Å; P144-T147 PolarHBondContact O-N 3.46Å; P144-T147 VanDerWaalsContact O-N 3.09Å; P144-T147 PolarHBondContact O-OG1 3.48Å; E145-T147 VanDerWaalsContact C-N 3.26Å; T147-L261 VanDerWaalsContact CB-O 3.28Å; T147-L261 WeakPolarHBondContact CB-O 3.35Å; T147-L261 WeakPolarHBondContact CG2-O 3.49Å; T147-F263 HydrophobicContact CG2-CE1 4.04Å; T147-F263 HydrophobicContact CG2-CE2 4.39Å; T147-F263 HydrophobicContact CG2-CZ 3.84Å
148V85.6Confident82.6Confident80 Ų8050.7 Ų50.749%0.48529%0.285SS..SBendtrans-130.9132.8176.5-178.30000108.5S150 G262V148-S150 VanDerWaalsContact C-N 3.25Å; V148-S150 PolarHBondContact O-N 3.46Å; V148-G262 PolarHBondContact N-O 3.26Å; V148-G262 CarbonylContact O-C 3.52Å; V148-G262 VanDerWaalsContact O-C 3.23Å; V148-G262 WeakPolarHBondContact O-CA 3.46Å
149D85.7Confident81.9Confident111 Ų11156.2 Ų56.259%0.59430%0.303SS*.SBendtrans59.334.6-178.8-51.5-42.3000113.4
150S88.1Confident81Confident40 Ų4058.3 Ų58.328%0.2831%0.314SS..  trans-60.5137.8174.7-178.80000111.3V148 I152V148-S150 VanDerWaalsContact C-N 3.25Å; V148-S150 PolarHBondContact O-N 3.46Å; S150-I152 PolarHBondContact O-N 3.4Å; S150-I152 PolarHBondContact OG-N 3.03Å
151M88Confident80.4Confident70 Ų7064.2 Ų64.235%0.34534%0.335SS..SBendtrans-861.7178.8-58-177-179.100112.3P153 K259 F260 N297 I299M151-P153 WeakPolarHBondContact O-CD 3.35Å; M151-K259 HydrophobicContact CE-CD 4.4Å; M151-K259 HydrophobicContact CE-CG 3.8Å; M151-F260 HydrophobicContact CB-CD2 3.91Å; M151-F260 HydrophobicContact CB-CE2 4.26Å; M151-F260 WeakPolarHBondContact CB-O 3.31Å; M151-F260 PolarHBondContact N-O 2.86Å; M151-N297 HydrophobicContact SD-CB 3.67Å; M151-I299 WeakPolarHBondContact O-CD1 3.4Å
152I82.4Confident79.9Confident25 Ų2566.9 Ų66.913%0.12835%0.354CS..SBendtrans-81.2117.9175.7-57.4177.8000109.3I141 S150 A156 F260 L261I141-I152 HydrophobicContact CD1-CD1 4.48Å; I141-I152 HydrophobicContact CG1-CD1 3.9Å; S150-I152 PolarHBondContact O-N 3.4Å; S150-I152 PolarHBondContact OG-N 3.03Å; I152-A156 HydrophobicContact CG2-CB 4.22Å; I152-F260 HydrophobicContact CD1-CE1 3.95Å; I152-F260 HydrophobicContact CG1-CD1 4.36Å; I152-F260 HydrophobicContact CG1-CE1 3.64Å; I152-F260 HydrophobicContact CG1-CZ 3.8Å; I152-L261 HydrophobicContact CD1-CD2 3.81Å
153P78.2Confident79.5Confident35 Ų3568.6 Ų68.623%0.22736%0.362CS..  trans-63.9141.4176.9-23.432.4000112.5M151 Y155 A156 T157 I299M151-P153 WeakPolarHBondContact O-CD 3.35Å; P153-Y155 HydrophobicContact CB-CD1 3.52Å; P153-Y155 HydrophobicContact CB-CE1 3.17Å; P153-Y155 HydrophobicContact CB-CG 4.33Å; P153-Y155 HydrophobicContact CG-CE1 3.77Å; P153-Y155 PolarHBondContact O-N 3Å; P153-Y155 VanDerWaalsContact O-N 3.14Å; P153-A156 WeakPolarHBondContact O-CA 3.44Å; P153-A156 VanDerWaalsContact O-CB 3.26Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.76Å; P153-T157 PolarHBondContact O-N 3.35Å; P153-I299 HydrophobicContact CG-CD1 4.49Å
154A76.2Confident78.7Confident83 Ų8369.6 Ų69.669%0.68637%0.367SS*.Hα-helixtrans-54.4-36.9179.700000113.9A156 T157A154-A156 VanDerWaalsContact C-N 3.25Å; A154-A156 PolarHBondContact O-N 3.46Å; A154-T157 WeakPolarHBondContact O-CB 3.4Å; A154-T157 PolarHBondContact O-N 3.44Å
155Y72.8Confident77.9Confident117 Ų11768.9 Ų68.946%0.45937%0.371SS..Hα-helixtrans-65.3-29.2177.272.1-100.1000112.9P153 T157 R159 V304P153-Y155 HydrophobicContact CB-CD1 3.52Å; P153-Y155 HydrophobicContact CB-CE1 3.17Å; P153-Y155 HydrophobicContact CB-CG 4.33Å; P153-Y155 HydrophobicContact CG-CE1 3.77Å; P153-Y155 PolarHBondContact O-N 3Å; P153-Y155 VanDerWaalsContact O-N 3.14Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-R159 PolarHBondContact O-N 3.44Å; Y155-V304 WeakPolarHBondContact OH-CG2 3.47Å
156A71.7Confident77.7Confident17 Ų1767.2 Ų67.214%0.1437%0.366CS..Hα-helixtrans-69.2-39.1178.800000109.6I152 P153 A154 T158 R159 I160I152-A156 HydrophobicContact CG2-CB 4.22Å; P153-A156 WeakPolarHBondContact O-CA 3.44Å; P153-A156 VanDerWaalsContact O-CB 3.26Å; P153-A156 WeakPolarHBondContact O-CB 3.35Å; P153-A156 PolarHBondContact O-N 2.76Å; A154-A156 VanDerWaalsContact C-N 3.25Å; A154-A156 PolarHBondContact O-N 3.46Å; A156-T158 PolarHBondContact O-N 2.96Å; A156-R159 PolarHBondContact O-N 3.21Å; A156-I160 HydrophobicContact CB-CD1 4.47Å; A156-I160 WeakPolarHBondContact O-CB 3.45Å; A156-I160 WeakPolarHBondContact O-CD1 3.49Å; A156-I160 WeakPolarHBondContact O-CG1 3.42Å; A156-I160 PolarHBondContact O-N 3.23Å
157T71.1Confident77.6Confident16 Ų1666.7 Ų66.710%0.09836%0.364CS..Hα-helixtrans-56.1-49.4176-62.30000112.9I141 P153 A154 Y155 R159 I160 R161I141-T157 HydrophobicContact CG2-CG2 4.13Å; I141-T157 WeakPolarHBondContact O-CG2 3.39Å; P153-T157 PolarHBondContact O-N 3.35Å; A154-T157 WeakPolarHBondContact O-CB 3.4Å; A154-T157 PolarHBondContact O-N 3.44Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.19Å; T157-I160 PolarHBondContact O-N 3.45Å; T157-R161 PolarHBondContact O-N 2.81Å; T157-R161 VanDerWaalsContact O-N 3.12Å
158T71.5Confident77.5Confident99 Ų9969.9 Ų69.961%0.60738%0.378SS*.Hα-helixtrans-63.2-41.3178-500000111.6A156 R161 S162A156-T158 PolarHBondContact O-N 2.96Å; T158-R161 PolarHBondContact O-N 3.5Å; T158-S162 PolarHBondContact O-N 2.85Å; T158-S162 VanDerWaalsContact O-N 3.11Å
159R70.9Confident77.6Confident181 Ų18169.6 Ų69.668%0.68338%0.379SS*.Hα-helixtrans-65.1-42177.2-80.9-166.1176.31771.4112.6Y155 A156 T157 R161 S162 Q163Y155-R159 PolarHBondContact O-N 3.44Å; A156-R159 PolarHBondContact O-N 3.21Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.19Å; R159-R161 VanDerWaalsContact C-N 3.33Å; R159-R161 PolarHBondContact O-N 3.06Å; R159-S162 PolarHBondContact O-N 3.46Å; R159-Q163 VanDerWaalsContact O-CB 3.32Å; R159-Q163 WeakPolarHBondContact O-CB 3.13Å; R159-Q163 PolarHBondContact O-N 3.19Å
160I70.7Confident77.9Confident46 Ų4667.6 Ų67.624%0.23637%0.366CS..Hα-helixtrans-63.5-42.8180-67.8162.6000110I141 A156 T157 S162 Q163 I164I141-I160 HydrophobicContact CD1-CD1 3.7Å; I141-I160 HydrophobicContact CD1-CG2 4.39Å; I141-I160 HydrophobicContact CG1-CD1 4.18Å; I141-I160 HydrophobicContact CG2-CB 3.95Å; I141-I160 HydrophobicContact CG2-CD1 4.04Å; I141-I160 HydrophobicContact CG2-CG2 3.82Å; A156-I160 HydrophobicContact CB-CD1 4.47Å; A156-I160 WeakPolarHBondContact O-CB 3.45Å; A156-I160 WeakPolarHBondContact O-CD1 3.49Å; A156-I160 WeakPolarHBondContact O-CG1 3.42Å; A156-I160 PolarHBondContact O-N 3.23Å; T157-I160 PolarHBondContact O-N 3.45Å; I160-S162 VanDerWaalsContact C-N 3.35Å; I160-S162 PolarHBondContact O-N 2.98Å; I160-Q163 PolarHBondContact O-N 2.93Å; I160-I164 HydrophobicContact CG2-CD1 4.08Å; I160-I164 WeakPolarHBondContact O-CD1 3.13Å; I160-I164 WeakPolarHBondContact O-CG1 3.47Å; I160-I164 PolarHBondContact O-N 3.13Å
161R70.8Confident78.2Confident132 Ų13265.8 Ų65.850%0.49835%0.353SS..Hα-helixtrans-57.6-44.7172.5-99.2-173.4-94.2178.6-14.2112.9L142 T157 T158 R159L142-R161 HydrophobicContact CD2-CG 3.84Å; T157-R161 PolarHBondContact O-N 2.81Å; T157-R161 VanDerWaalsContact O-N 3.12Å; T158-R161 PolarHBondContact O-N 3.5Å; R159-R161 VanDerWaalsContact C-N 3.33Å; R159-R161 PolarHBondContact O-N 3.06Å
162S74.7Confident78.5Confident68 Ų6868.4 Ų68.448%0.47636%0.363SS..Hα-helixtrans-67-40.4176176.20000112.3T158 R159 I160 I164 G165 N166T158-S162 PolarHBondContact O-N 2.85Å; T158-S162 VanDerWaalsContact O-N 3.11Å; R159-S162 PolarHBondContact O-N 3.46Å; I160-S162 VanDerWaalsContact C-N 3.35Å; I160-S162 PolarHBondContact O-N 2.98Å; S162-I164 VanDerWaalsContact C-N 3.3Å; S162-I164 PolarHBondContact O-N 2.87Å; S162-G165 PolarHBondContact O-N 2.75Å; S162-N166 VanDerWaalsContact O-CG 3.3Å; S162-N166 PolarHBondContact O-N 3.23Å; S162-N166 VanDerWaalsContact O-N 3.1Å; S162-N166 PolarHBondContact O-ND2 2.78Å
163Q73.4Confident79.1Confident60 Ų6072.8 Ų72.828%0.2838%0.381SS..Hα-helixtrans-63.4-37.8179.8-174.5169.80.500111.4R159 I160 G165 N166 T167R159-Q163 VanDerWaalsContact O-CB 3.32Å; R159-Q163 WeakPolarHBondContact O-CB 3.13Å; R159-Q163 PolarHBondContact O-N 3.19Å; I160-Q163 PolarHBondContact O-N 2.93Å; Q163-G165 PolarHBondContact O-N 2.97Å; Q163-N166 CarbonylContact O-C 3.23Å; Q163-N166 PolarHBondContact O-N 3.43Å; Q163-T167 WeakPolarHBondContact O-CB 3.37Å; Q163-T167 PolarHBondContact O-N 3.37Å; Q163-T167 PolarHBondContact O-OG1 3.41Å
164I70.1Confident79.9Confident43 Ų4372.2 Ų72.222%0.22138%0.376CS..Hα-helixtrans-53.7-50.6174.5-78.8159.7000111.5I160 S162 T167 L196I160-I164 HydrophobicContact CG2-CD1 4.08Å; I160-I164 WeakPolarHBondContact O-CD1 3.13Å; I160-I164 WeakPolarHBondContact O-CG1 3.47Å; I160-I164 PolarHBondContact O-N 3.13Å; S162-I164 VanDerWaalsContact C-N 3.3Å; S162-I164 PolarHBondContact O-N 2.87Å; I164-T167 PolarHBondContact O-N 3.22Å; I164-L196 HydrophobicContact CB-CD1 4.32Å; I164-L196 HydrophobicContact CD1-CD2 3.44Å; I164-L196 VanDerWaalsContact CD1-CD2 3.44Å; I164-L196 HydrophobicContact CG1-CD1 4.26Å; I164-L196 HydrophobicContact CG1-CD2 3.77Å; I164-L196 HydrophobicContact CG2-CD1 3.27Å; I164-L196 HydrophobicContact CG2-CD2 4.01Å; I164-L196 HydrophobicContact CG2-CG 4.24Å
165G71.6Confident80.9Confident45 Ų4568.6 Ų68.646%0.46435%0.346SS..Hα-helixtrans-65.9-38.3177.900000113S162 Q163 T167S162-G165 PolarHBondContact O-N 2.75Å; Q163-G165 PolarHBondContact O-N 2.97Å; G165-T167 VanDerWaalsContact C-N 3.35Å
166N81.8Confident82Confident95 Ų9568.9 Ų68.951%0.50835%0.351SS..Hα-helixtrans-72.1-27.8178.8-64.7-17.6000113S162 Q163 E168 S169 E170S162-N166 VanDerWaalsContact O-CG 3.3Å; S162-N166 PolarHBondContact O-N 3.23Å; S162-N166 VanDerWaalsContact O-N 3.1Å; S162-N166 PolarHBondContact O-ND2 2.78Å; Q163-N166 CarbonylContact O-C 3.23Å; Q163-N166 PolarHBondContact O-N 3.43Å; N166-E168 VanDerWaalsContact C-N 3.33Å; N166-E168 PolarHBondContact O-N 2.87Å; N166-S169 PolarHBondContact O-N 2.59Å; N166-S169 PolarHBondContact O-OG 3.31Å; N166-E170 WeakPolarHBondContact O-CB 3.46Å; N166-E170 PolarHBondContact O-N 2.96Å
167T85.5Confident83.2Confident17 Ų1773.6 Ų73.610%0.10437%0.371CS..Hα-helixtrans-68.4-35.5-178.3-57.20000110.7Q163 I164 G165 S169 E170 L171 L192Q163-T167 WeakPolarHBondContact O-CB 3.37Å; Q163-T167 PolarHBondContact O-N 3.37Å; Q163-T167 PolarHBondContact O-OG1 3.41Å; I164-T167 PolarHBondContact O-N 3.22Å; G165-T167 VanDerWaalsContact C-N 3.35Å; T167-S169 PolarHBondContact O-N 2.77Å; T167-E170 PolarHBondContact O-N 2.99Å; T167-L171 HydrophobicContact CG2-CD1 3.92Å; T167-L171 HydrophobicContact CG2-CG 4.12Å; T167-L171 WeakPolarHBondContact O-CB 3.41Å; T167-L171 WeakPolarHBondContact O-CG 3.43Å; T167-L171 PolarHBondContact O-N 2.87Å; T167-L192 HydrophobicContact CG2-CD2 3.67Å
168E86.1Confident84.5Confident88 Ų8874.2 Ų74.241%0.41137%0.373SS..Hα-helixtrans-61.4-44.3177.7-175.2174.1-169.300111.9N166 K172 Q189N166-E168 VanDerWaalsContact C-N 3.33Å; N166-E168 PolarHBondContact O-N 2.87Å; E168-K172 PolarHBondContact O-N 3.41Å; E168-K172 VanDerWaalsContact O-N 3.13Å; E168-Q189 HydrophobicContact CG-CG 3.85Å; E168-Q189 VanDerWaalsContact CG-NE2 3.31Å; E168-Q189 PolarHBondContact O-NE2 3.47Å
169S89.1Confident85.6Confident73 Ų7374.1 Ų74.151%0.5137%0.374SS..Hα-helixtrans-72.5-37.2178.260.70000112.3N166 T167 K172 K173N166-S169 PolarHBondContact O-N 2.59Å; N166-S169 PolarHBondContact O-OG 3.31Å; T167-S169 PolarHBondContact O-N 2.77Å; S169-K172 PolarHBondContact O-N 3.15Å; S169-K173 PolarHBondContact O-N 2.93Å
170E91.9Very high86.9Confident70 Ų7070.1 Ų70.133%0.32737%0.366SS..Hα-helixtrans-59.4-48.9172.8-175.7-178.6-167.900111.5S61 N166 T167 K172 K173 L174S61-E170 WeakPolarHBondContact CB-OE1 3.28Å; S61-E170 WeakPolarHBondContact CB-OE2 3.34Å; S61-E170 PolarHBondContact OG-OE2 3.2Å; N166-E170 WeakPolarHBondContact O-CB 3.46Å; N166-E170 PolarHBondContact O-N 2.96Å; T167-E170 PolarHBondContact O-N 2.99Å; E170-K172 VanDerWaalsContact C-N 3.32Å; E170-K172 PolarHBondContact O-N 3.29Å; E170-K173 PolarHBondContact O-N 3.43Å; E170-L174 HydrophobicContact CG-CD1 4.1Å; E170-L174 WeakPolarHBondContact O-CG 3.42Å; E170-L174 PolarHBondContact O-N 3.15Å
171L93.9Very high88.2Confident2 Ų268.6 Ų68.61%0.0136%0.359CS..Hα-helixtrans-62.3-39.4178.3-70.9172000112N64 T167 L174 A175 Y185 K188 Q189 L192N64-L171 HydrophobicContact CB-CD2 4.3Å; T167-L171 HydrophobicContact CG2-CD1 3.92Å; T167-L171 HydrophobicContact CG2-CG 4.12Å; T167-L171 WeakPolarHBondContact O-CB 3.41Å; T167-L171 WeakPolarHBondContact O-CG 3.43Å; T167-L171 PolarHBondContact O-N 2.87Å; L171-L174 PolarHBondContact O-N 3.18Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.99Å; L171-Y185 HydrophobicContact CD2-CD1 3.71Å; L171-Y185 HydrophobicContact CD2-CE1 4.22Å; L171-K188 HydrophobicContact CD1-CG 4.34Å; L171-K188 HydrophobicContact CD2-CD 4.04Å; L171-Q189 HydrophobicContact CD1-CB 4.23Å; L171-L192 HydrophobicContact CD1-CD2 4.38Å
172K93.2Very high89.4Confident125 Ų12567 Ų6754%0.54336%0.357SS..Hα-helixtrans-61.3-47.5175.4-174.7-178.5176.5-174.90111.1E168 S169 E170 L174 A175 E176E168-K172 PolarHBondContact O-N 3.41Å; E168-K172 VanDerWaalsContact O-N 3.13Å; S169-K172 PolarHBondContact O-N 3.15Å; E170-K172 VanDerWaalsContact C-N 3.32Å; E170-K172 PolarHBondContact O-N 3.29Å; K172-L174 PolarHBondContact O-N 3.49Å; K172-A175 WeakPolarHBondContact O-CB 3.2Å; K172-A175 PolarHBondContact O-N 2.84Å; K172-E176 VanDerWaalsContact CE-OE1 3.31Å; K172-E176 WeakPolarHBondContact CE-OE1 3.32Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 2.98Å; K172-E176 VanDerWaalsContact O-N 3.12Å
173K95.3Very high90.5Very high117 Ų11771.7 Ų71.751%0.50937%0.371SS..Hα-helixtrans-59.9-45.8177-179.2-177.2169.1-175.80111.4S169 E170 A175 E176 E177S169-K173 PolarHBondContact O-N 2.93Å; E170-K173 PolarHBondContact O-N 3.43Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 2.96Å; K173-E176 WeakPolarHBondContact O-CB 3.34Å; K173-E176 PolarHBondContact O-N 3.35Å; K173-E176 VanDerWaalsContact O-N 3.13Å; K173-E177 VanDerWaalsContact CE-CD 3.44Å; K173-E177 WeakPolarHBondContact CE-OE1 3.47Å; K173-E177 HydrophobicContact CG-CG 4.44Å; K173-E177 IonicContact NZ-OE1 3.22Å; K173-E177 WeakPolarHBondContact O-CG 3.39Å; K173-E177 PolarHBondContact O-N 3.07Å
174L96.4Very high91.6Very high22 Ų2269.7 Ų69.712%0.11537%0.365CS..Hα-helixtrans-62.1-35.3177.7-74168.5000112.5N64 E170 L171 K172 E176 E177 N178 Y185N64-L174 HydrophobicContact CB-CD1 3.83Å; E170-L174 HydrophobicContact CG-CD1 4.1Å; E170-L174 WeakPolarHBondContact O-CG 3.42Å; E170-L174 PolarHBondContact O-N 3.15Å; L171-L174 PolarHBondContact O-N 3.18Å; K172-L174 PolarHBondContact O-N 3.49Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E177 PolarHBondContact O-N 3.17Å; L174-N178 WeakPolarHBondContact O-CB 3.28Å; L174-N178 PolarHBondContact O-N 2.87Å; L174-N178 PolarHBondContact O-ND2 3.32Å; L174-Y185 HydrophobicContact CB-CD1 4.17Å; L174-Y185 HydrophobicContact CB-CD2 4.16Å; L174-Y185 HydrophobicContact CB-CE1 3.84Å; L174-Y185 HydrophobicContact CB-CE2 3.82Å; L174-Y185 HydrophobicContact CB-CG 4.32Å; L174-Y185 HydrophobicContact CD1-CE1 3.9Å; L174-Y185 HydrophobicContact CG-CE1 4.48Å
175A96.4Very high93Very high7 Ų767.7 Ų67.76%0.05835%0.354CS..Hα-helixtrans-65.8-35.6174.700000112.7L171 K172 K173 Q182 Y185L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 2.99Å; K172-A175 WeakPolarHBondContact O-CB 3.2Å; K172-A175 PolarHBondContact O-N 2.84Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 2.96Å; A175-Q182 HydrophobicContact CB-CG 4.13Å; A175-Y185 HydrophobicContact CB-CD2 4.26Å; A175-Y185 HydrophobicContact CB-CG 4.33Å
176E96.4Very high94.1Very high124 Ų12469.9 Ų69.958%0.57936%0.355SS*.Hα-helixtrans-72-40.3174.8-68.1168.3-17200111.6K172 K173 L174K172-E176 VanDerWaalsContact CE-OE1 3.31Å; K172-E176 WeakPolarHBondContact CE-OE1 3.32Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 2.98Å; K172-E176 VanDerWaalsContact O-N 3.12Å; K173-E176 WeakPolarHBondContact O-CB 3.34Å; K173-E176 PolarHBondContact O-N 3.35Å; K173-E176 VanDerWaalsContact O-N 3.13Å; L174-E176 VanDerWaalsContact C-N 3.34Å
177E97.1Very high94.8Very high116 Ų11667.1 Ų67.154%0.54235%0.345SS..Hα-helixtrans-76.6-21.2-179-70.3178162.200113.7K173 L174K173-E177 VanDerWaalsContact CE-CD 3.44Å; K173-E177 WeakPolarHBondContact CE-OE1 3.47Å; K173-E177 HydrophobicContact CG-CG 4.44Å; K173-E177 IonicContact NZ-OE1 3.22Å; K173-E177 WeakPolarHBondContact O-CG 3.39Å; K173-E177 PolarHBondContact O-N 3.07Å; L174-E177 PolarHBondContact O-N 3.17Å
178N97.3Very high95.2Very high28 Ų2867.2 Ų67.215%0.1534%0.344CS..  trans-13079.5-176.6-56.3-93.6000110.6P66 L174 D180 L181 Q182 Y185P66-N178 WeakPolarHBondContact CG-OD1 3.49Å; L174-N178 WeakPolarHBondContact O-CB 3.28Å; L174-N178 PolarHBondContact O-N 2.87Å; L174-N178 PolarHBondContact O-ND2 3.32Å; N178-D180 PolarHBondContact O-N 3.5Å; N178-D180 VanDerWaalsContact O-N 3.14Å; N178-L181 HydrophobicContact CB-CB 4.2Å; N178-L181 HydrophobicContact CB-CD1 4.3Å; N178-L181 PolarHBondContact O-N 3.36Å; N178-Q182 PolarHBondContact O-N 3.34Å; N178-Y185 HydrophobicContact CB-CE2 4.2Å
179P96.1Very high95.5Very high97 Ų9765.3 Ų65.363%0.6334%0.335SS*.G310 helixtrans-56.4-32.9-174.7-27.935.8000114.3L181 Q182P179-L181 VanDerWaalsContact C-N 3.25Å; P179-L181 PolarHBondContact O-N 3.37Å; P179-Q182 VanDerWaalsContact O-CB 3.29Å; P179-Q182 WeakPolarHBondContact O-CB 3.48Å; P179-Q182 PolarHBondContact O-N 3.27Å
180D97.1Very high95.6Very high98 Ų9869.8 Ų69.852%0.52435%0.345SS..G310 helixtrans-72.5-17.2179.470.3-74.3000113.8R70 N178R70-D180 IonicContact CZ-OD1 3.62Å; R70-D180 IonicContact CZ-OD2 3.73Å; R70-D180 IonicContact NH1-OD2 2.76Å; R70-D180 PolarHBondContact NH1-OD2 3.29Å; R70-D180 IonicContact NH2-OD1 2.64Å; R70-D180 PolarHBondContact NH2-OD1 3.4Å; R70-D180 IonicContact NH2-OD2 3.87Å; R70-D180 PolarHBondContact NH2-OD2 2.91Å; N178-D180 PolarHBondContact O-N 3.5Å; N178-D180 VanDerWaalsContact O-N 3.14Å
181L97.6Very high95.6Very high14 Ų1470.5 Ų70.57%0.07335%0.345CS..G310 helixtrans-107.43.7175.7-65.3175.1000112.6P66 M69 R70 N178 P179 E183 A184 Y185P66-L181 HydrophobicContact CB-CD1 3.77Å; M69-L181 HydrophobicContact CB-CD1 3.95Å; M69-L181 HydrophobicContact CB-CD2 4.37Å; R70-L181 HydrophobicContact CG-CD1 4.27Å; R70-L181 HydrophobicContact CG-CD2 4.01Å; N178-L181 HydrophobicContact CB-CB 4.2Å; N178-L181 HydrophobicContact CB-CD1 4.3Å; N178-L181 PolarHBondContact O-N 3.36Å; P179-L181 VanDerWaalsContact C-N 3.25Å; P179-L181 PolarHBondContact O-N 3.37Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å; L181-A184 WeakPolarHBondContact O-CB 3.34Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-Y185 HydrophobicContact CB-CD2 3.76Å; L181-Y185 HydrophobicContact CB-CE2 3.52Å; L181-Y185 HydrophobicContact CD1-CE2 3.98Å; L181-Y185 HydrophobicContact CG-CE2 4.43Å; L181-Y185 VanDerWaalsContact O-CD2 3.25Å; L181-Y185 WeakPolarHBondContact O-CD2 3.37Å; L181-Y185 PolarHBondContact O-N 3.43Å
182Q97.3Very high95.3Very high97 Ų9772.8 Ų72.845%0.45336%0.357SS..Hα-helixtrans-54.9-47.6-172-173.9-178.939.800112A175 N178 P179 A184 Y185 I186A175-Q182 HydrophobicContact CB-CG 4.13Å; N178-Q182 PolarHBondContact O-N 3.34Å; P179-Q182 VanDerWaalsContact O-CB 3.29Å; P179-Q182 WeakPolarHBondContact O-CB 3.48Å; P179-Q182 PolarHBondContact O-N 3.27Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 3.26Å; Q182-Y185 PolarHBondContact O-N 2.98Å; Q182-I186 HydrophobicContact CG-CD1 3.89Å; Q182-I186 VanDerWaalsContact O-CG1 3.31Å; Q182-I186 WeakPolarHBondContact O-CG1 3.18Å; Q182-I186 PolarHBondContact O-N 3.14Å
183E97.3Very high94.9Very high168 Ų16872.7 Ų72.779%0.78536%0.357SS*.Hα-helixtrans-61.9-41.9178.6-172.6177.4-174.800112L181 Y185 I186 A187L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å; E183-Y185 PolarHBondContact O-N 2.93Å; E183-I186 PolarHBondContact O-N 3.28Å; E183-A187 VanDerWaalsContact O-CB 3.31Å; E183-A187 WeakPolarHBondContact O-CB 3.28Å; E183-A187 PolarHBondContact O-N 3.22Å
184A97.3Very high94.5Very high17 Ų1770.2 Ų70.214%0.1435%0.354CS..Hα-helixtrans-62.4-43.6178.400000111.7M69 L181 Q182 A187 K188M69-A184 HydrophobicContact CE-CB 3.91Å; L181-A184 WeakPolarHBondContact O-CB 3.34Å; L181-A184 PolarHBondContact O-N 3.34Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 3.26Å; A184-A187 PolarHBondContact O-N 2.84Å; A184-K188 WeakPolarHBondContact O-CB 3.38Å; A184-K188 PolarHBondContact O-N 2.82Å
185Y97.6Very high93.9Very high1 Ų172.3 Ų72.30%0.00436%0.362CS..Hα-helixtrans-66.1-43.2176.6-74.1-58000112.7N64 M69 L171 L174 A175 N178 L181 Q182 E183 K188 Q189N64-Y185 VanDerWaalsContact O-CE1 3.27Å; N64-Y185 WeakPolarHBondContact O-CE1 3.43Å; N64-Y185 PolarHBondContact O-OH 2.97Å; M69-Y185 HydrophobicContact CE-CD1 3.95Å; M69-Y185 HydrophobicContact CE-CE1 3.98Å; M69-Y185 HydrophobicContact CG-CE1 3.65Å; M69-Y185 HydrophobicContact SD-CE1 4.15Å; L171-Y185 HydrophobicContact CD2-CD1 3.71Å; L171-Y185 HydrophobicContact CD2-CE1 4.22Å; L174-Y185 HydrophobicContact CB-CD1 4.17Å; L174-Y185 HydrophobicContact CB-CD2 4.16Å; L174-Y185 HydrophobicContact CB-CE1 3.84Å; L174-Y185 HydrophobicContact CB-CE2 3.82Å; L174-Y185 HydrophobicContact CB-CG 4.32Å; L174-Y185 HydrophobicContact CD1-CE1 3.9Å; L174-Y185 HydrophobicContact CG-CE1 4.48Å; A175-Y185 HydrophobicContact CB-CD2 4.26Å; A175-Y185 HydrophobicContact CB-CG 4.33Å; N178-Y185 HydrophobicContact CB-CE2 4.2Å; L181-Y185 HydrophobicContact CB-CD2 3.76Å; L181-Y185 HydrophobicContact CB-CE2 3.52Å; L181-Y185 HydrophobicContact CD1-CE2 3.98Å; L181-Y185 HydrophobicContact CG-CE2 4.43Å; L181-Y185 VanDerWaalsContact O-CD2 3.25Å; L181-Y185 WeakPolarHBondContact O-CD2 3.37Å; L181-Y185 PolarHBondContact O-N 3.43Å; Q182-Y185 PolarHBondContact O-N 2.98Å; E183-Y185 PolarHBondContact O-N 2.93Å; Y185-K188 PolarHBondContact O-N 3.29Å; Y185-Q189 WeakPolarHBondContact O-CB 3.49Å; Y185-Q189 PolarHBondContact O-N 2.82Å
186I95.1Very high93.1Very high91 Ų9173.4 Ų73.447%0.46737%0.367SS..Hα-helixtrans-62.1-44.7176-68.8169.1000110.5Q182 E183 K188 Q189 K190Q182-I186 HydrophobicContact CG-CD1 3.89Å; Q182-I186 VanDerWaalsContact O-CG1 3.31Å; Q182-I186 WeakPolarHBondContact O-CG1 3.18Å; Q182-I186 PolarHBondContact O-N 3.14Å; E183-I186 PolarHBondContact O-N 3.28Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.01Å; I186-Q189 WeakPolarHBondContact O-CB 3.47Å; I186-Q189 PolarHBondContact O-N 3.32Å; I186-K190 PolarHBondContact O-N 2.98Å
187A96.1Very high92.4Very high37 Ų3773.3 Ų73.331%0.30637%0.369SS..Hα-helixtrans-61.8-41.6176.900000111.5E183 A184 K190 R191E183-A187 VanDerWaalsContact O-CB 3.31Å; E183-A187 WeakPolarHBondContact O-CB 3.28Å; E183-A187 PolarHBondContact O-N 3.22Å; A184-A187 PolarHBondContact O-N 2.84Å; A187-K190 PolarHBondContact O-N 3.48Å; A187-R191 WeakPolarHBondContact O-CG 3.5Å; A187-R191 PolarHBondContact O-N 2.85Å
188K95.1Very high91.7Very high20 Ų2071.6 Ų71.69%0.08736%0.364CS..Hα-helixtrans-62.7-43.8175.6-168172.3-167.5176.10112.2H63 N64 M69 T74 G75 L171 A184 Y185 I186 K190 R191 L192H63-K188 PolarHBondContact CD2-NZ 3.26Å; H63-K188 VanDerWaalsContact CD2-NZ 3.34Å; H63-K188 PolarHBondContact O-NZ 3.19Å; N64-K188 WeakPolarHBondContact OD1-CE 3.44Å; N64-K188 PolarHBondContact OD1-NZ 3.41Å; M69-K188 HydrophobicContact CE-CD 4.26Å; M69-K188 HydrophobicContact SD-CD 4.17Å; T74-K188 WeakPolarHBondContact O-CD 3.38Å; T74-K188 VanDerWaalsContact O-CE 3.28Å; T74-K188 WeakPolarHBondContact O-CE 3.32Å; G75-K188 VanDerWaalsContact CA-NZ 3.33Å; G75-K188 PolarHBondContact O-NZ 3.04Å; L171-K188 HydrophobicContact CD1-CG 4.34Å; L171-K188 HydrophobicContact CD2-CD 4.04Å; A184-K188 WeakPolarHBondContact O-CB 3.38Å; A184-K188 PolarHBondContact O-N 2.82Å; Y185-K188 PolarHBondContact O-N 3.29Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.01Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 3.3Å; K188-R191 VanDerWaalsContact CA-NH2 3.27Å; K188-R191 PolarHBondContact O-N 2.81Å; K188-L192 WeakPolarHBondContact O-CB 3.25Å; K188-L192 PolarHBondContact O-N 3.38Å
189Q91.9Very high91.2Very high47 Ų4770.6 Ų70.622%0.2236%0.359CS..Hα-helixtrans-58.6-46.3176.3-169.8-173.259.800111.4E168 L171 Y185 I186 L192 K193E168-Q189 HydrophobicContact CG-CG 3.85Å; E168-Q189 VanDerWaalsContact CG-NE2 3.31Å; E168-Q189 PolarHBondContact O-NE2 3.47Å; L171-Q189 HydrophobicContact CD1-CB 4.23Å; Y185-Q189 WeakPolarHBondContact O-CB 3.49Å; Y185-Q189 PolarHBondContact O-N 2.82Å; I186-Q189 WeakPolarHBondContact O-CB 3.47Å; I186-Q189 PolarHBondContact O-N 3.32Å; Q189-L192 PolarHBondContact O-N 2.69Å; Q189-K193 PolarHBondContact O-N 2.83Å
190K91.9Very high90.7Very high167 Ų16770.2 Ų70.273%0.72635%0.351SS*.Hα-helixtrans-61.5-44.7177-174.1177.8177.7-178.30112.3I186 A187 K188 K193 S194I186-K190 PolarHBondContact O-N 2.98Å; A187-K190 PolarHBondContact O-N 3.48Å; K188-K190 VanDerWaalsContact C-N 3.35Å; K188-K190 PolarHBondContact O-N 3.3Å; K190-K193 PolarHBondContact O-N 2.65Å; K190-S194 PolarHBondContact O-N 3.07Å; K190-S194 VanDerWaalsContact O-N 3.08Å
191R91.2Very high90.4Very high86 Ų8669.3 Ų69.333%0.32535%0.346SS..Hα-helixtrans-61.4-46.5176.5-73.3-171.3-57.7-88.6-1.3111.8T74 A187 K188 K193 S194 K195T74-R191 PolarHBondContact O-NH2 3.12Å; A187-R191 WeakPolarHBondContact O-CG 3.5Å; A187-R191 PolarHBondContact O-N 2.85Å; K188-R191 VanDerWaalsContact CA-NH2 3.27Å; K188-R191 PolarHBondContact O-N 2.81Å; R191-K193 VanDerWaalsContact C-N 3.34Å; R191-K193 PolarHBondContact O-N 3.31Å; R191-S194 PolarHBondContact O-N 2.81Å; R191-K195 WeakPolarHBondContact O-CG 3.36Å; R191-K195 PolarHBondContact O-N 3.03Å
192L87.2Confident90.1Very high49 Ų4970.8 Ų70.826%0.25736%0.356SS..Hα-helixtrans-57.7-48.3178.6178.262.2000110.8T167 L171 K188 Q189 S194 K195 L196T167-L192 HydrophobicContact CG2-CD2 3.67Å; L171-L192 HydrophobicContact CD1-CD2 4.38Å; K188-L192 WeakPolarHBondContact O-CB 3.25Å; K188-L192 PolarHBondContact O-N 3.38Å; Q189-L192 PolarHBondContact O-N 2.69Å; L192-S194 PolarHBondContact O-N 2.75Å; L192-K195 PolarHBondContact O-N 2.8Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CG 4.15Å; L192-L196 HydrophobicContact CG-CD1 3.79Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.02Å
193K84.9Confident89.9Confident124 Ų12474.6 Ų74.654%0.53937%0.371SS..Hα-helixtrans-59.7-44.3178.7-172.7172.5-176.8168.90112.5Q189 K190 R191 L197Q189-K193 PolarHBondContact O-N 2.83Å; K190-K193 PolarHBondContact O-N 2.65Å; R191-K193 VanDerWaalsContact C-N 3.34Å; R191-K193 PolarHBondContact O-N 3.31Å; K193-L197 HydrophobicContact CG-CD1 4.42Å; K193-L197 WeakPolarHBondContact O-CG 3.28Å; K193-L197 PolarHBondContact O-N 2.99Å
194S86.4Confident89.7Confident64 Ų6470.5 Ų70.545%0.44835%0.349SS..Hα-helixtrans-62-52.2177-164.60000111.7K190 R191 L192 L196 L197 D198K190-S194 PolarHBondContact O-N 3.07Å; K190-S194 VanDerWaalsContact O-N 3.08Å; R191-S194 PolarHBondContact O-N 2.81Å; L192-S194 PolarHBondContact O-N 2.75Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.64Å; S194-L197 PolarHBondContact O-N 2.97Å; S194-D198 PolarHBondContact O-N 2.66Å; S194-D198 VanDerWaalsContact O-N 3.1Å
195K85.3Confident89.6Confident66 Ų6669.9 Ų69.929%0.28734%0.343SS..Hα-helixtrans-55.7-43-179.8-75.7-172.9177.5-169.80111.4E76 D134 R191 L192 D198 H199E76-K195 IonicContact OE1-NZ 3.03Å; E76-K195 PolarHBondContact OE1-NZ 3.28Å; D134-K195 IonicContact OD2-NZ 3.14Å; D134-K195 PolarHBondContact OD2-NZ 3.14Å; R191-K195 WeakPolarHBondContact O-CG 3.36Å; R191-K195 PolarHBondContact O-N 3.03Å; L192-K195 PolarHBondContact O-N 2.8Å; K195-D198 PolarHBondContact O-N 3.39Å; K195-H199 VanDerWaalsContact O-CB 3.27Å; K195-H199 WeakPolarHBondContact O-CB 3.41Å; K195-H199 PolarHBondContact O-CD2 3.23Å; K195-H199 PolarHBondContact O-N 3.41Å; K195-H199 PolarHBondContact O-ND1 3.16Å
196L78.9Confident89.4Confident31 Ų3175.3 Ų75.316%0.16237%0.367CS..Hα-helixtrans-65.7-40.7-179.3-70.8165.5000113.3I164 L192 S194 D198 H199 D200I164-L196 HydrophobicContact CB-CD1 4.32Å; I164-L196 HydrophobicContact CD1-CD2 3.44Å; I164-L196 VanDerWaalsContact CD1-CD2 3.44Å; I164-L196 HydrophobicContact CG1-CD1 4.26Å; I164-L196 HydrophobicContact CG1-CD2 3.77Å; I164-L196 HydrophobicContact CG2-CD1 3.27Å; I164-L196 HydrophobicContact CG2-CD2 4.01Å; I164-L196 HydrophobicContact CG2-CG 4.24Å; L192-L196 HydrophobicContact CD1-CD1 3.81Å; L192-L196 HydrophobicContact CD1-CG 4.15Å; L192-L196 HydrophobicContact CG-CD1 3.79Å; L192-L196 WeakPolarHBondContact O-CB 3.29Å; L192-L196 WeakPolarHBondContact O-CD1 3.34Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 3.02Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.64Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-H199 PolarHBondContact O-N 2.97Å; L196-D200 WeakPolarHBondContact O-CB 3.25Å; L196-D200 PolarHBondContact O-N 2.99Å
197L82.6Confident89.4Confident121 Ų12176.9 Ų76.963%0.63437%0.37SS*.Hα-helixtrans-62.3-43.8176-71.4168.9000111.2K193 S194K193-L197 HydrophobicContact CG-CD1 4.42Å; K193-L197 WeakPolarHBondContact O-CG 3.28Å; K193-L197 PolarHBondContact O-N 2.99Å; S194-L197 PolarHBondContact O-N 2.97Å
198D82.1Confident89.4Confident80 Ų8075.4 Ų75.443%0.42836%0.357SS..Hα-helixtrans-66.8-42.7178.7-65-32.2000111.1S194 K195 L196 D200 N201 Y204S194-D198 PolarHBondContact O-N 2.66Å; S194-D198 VanDerWaalsContact O-N 3.1Å; K195-D198 PolarHBondContact O-N 3.39Å; L196-D198 VanDerWaalsContact C-N 3.33Å; D198-D200 VanDerWaalsContact C-N 3.31Å; D198-D200 PolarHBondContact O-N 2.91Å; D198-N201 WeakPolarHBondContact O-CB 3.5Å; D198-N201 PolarHBondContact O-N 3.06Å; D198-Y204 VanDerWaalsContact O-CD1 3.31Å; D198-Y204 WeakPolarHBondContact O-CD1 3.42Å
199H86.8Confident89.4Confident8 Ų874.9 Ų74.94%0.03736%0.355CS..Hα-helixtrans-75-17.2-177.4-58.9169.6000113.7D134 A135 H138 L142 K195 L196 N201 L205D134-H199 IonicContact OD2-CE1 3.98Å; A135-H199 WeakPolarHBondContact CA-NE2 3.38Å; H138-H199 HydrophobicContact CB-CB 3.94Å; H138-H199 WeakPolarHBondContact CB-ND1 3.48Å; H138-H199 AromaticContact CG-ND1 3.56Å; H138-H199 AromaticContact ND1-CE1 3.38Å; H138-H199 PolarHBondContact ND1-CE1 3.21Å; H138-H199 AromaticContact ND1-ND1 3.05Å; H138-H199 PolarHBondContact ND1-ND1 2.97Å; L142-H199 HydrophobicContact CD1-CB 4.44Å; K195-H199 VanDerWaalsContact O-CB 3.27Å; K195-H199 WeakPolarHBondContact O-CB 3.41Å; K195-H199 PolarHBondContact O-CD2 3.23Å; K195-H199 PolarHBondContact O-N 3.41Å; K195-H199 PolarHBondContact O-ND1 3.16Å; L196-H199 PolarHBondContact O-N 2.97Å; H199-N201 VanDerWaalsContact C-N 3.32Å; H199-L205 WeakPolarHBondContact O-CD1 3.27Å
200D85.5Confident89.6Confident89 Ų8976.8 Ų76.848%0.47637%0.367SS..THydrogen-bonded Turntrans-84.1-8.7173-161.933.8000112.7L142 H143 L196 D198 V202L142-D200 HydrophobicContact CD1-CB 4.04Å; H143-D200 IonicContact CD2-OD1 3.94Å; H143-D200 IonicContact CE1-OD1 3.59Å; H143-D200 PolarHBondContact CE1-OD1 2.95Å; H143-D200 VanDerWaalsContact CE1-OD1 3.22Å; H143-D200 PolarHBondContact NE2-O 3.45Å; H143-D200 IonicContact NE2-OD1 3.99Å; H143-D200 PolarHBondContact NE2-OD1 3.23Å; L196-D200 WeakPolarHBondContact O-CB 3.25Å; L196-D200 PolarHBondContact O-N 2.99Å; D198-D200 VanDerWaalsContact C-N 3.31Å; D198-D200 PolarHBondContact O-N 2.91Å; D200-V202 PolarHBondContact O-N 2.92Å; D200-V202 VanDerWaalsContact O-N 3.17Å
201N90.6Very high89.8Confident78 Ų7872.5 Ų72.542%0.41735%0.349SS..  trans-82.397.5-179-176.5-20.2000111.6D198 H199 K203 Y204 L205D198-N201 WeakPolarHBondContact O-CB 3.5Å; D198-N201 PolarHBondContact O-N 3.06Å; H199-N201 VanDerWaalsContact C-N 3.32Å; N201-K203 PolarHBondContact O-N 3.37Å; N201-K203 VanDerWaalsContact O-N 3.16Å; N201-K203 WeakPolarHBondContact OD1-CB 3.31Å; N201-K203 PolarHBondContact OD1-N 3.14Å; N201-K203 VanDerWaalsContact OD1-N 3.08Å; N201-Y204 WeakPolarHBondContact O-CB 3.39Å; N201-Y204 PolarHBondContact O-N 3.31Å; N201-Y204 PolarHBondContact OD1-N 3.37Å; N201-Y204 VanDerWaalsContact OD1-N 3.11Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3Å
202V91.6Very high90.1Very high46 Ų4668.4 Ų68.428%0.27933%0.334SS..Hα-helixtrans-54.7-36179.4179.30000113.3H143 D200 L205 K206H143-V202 WeakPolarHBondContact CE1-CG2 3.49Å; H143-V202 WeakPolarHBondContact ND1-CG2 3.43Å; D200-V202 PolarHBondContact O-N 2.92Å; D200-V202 VanDerWaalsContact O-N 3.17Å; V202-L205 PolarHBondContact O-N 2.96Å; V202-K206 HydrophobicContact CG1-CD 4.23Å; V202-K206 HydrophobicContact CG1-CG 4.43Å; V202-K206 WeakPolarHBondContact O-CB 3.31Å; V202-K206 WeakPolarHBondContact O-CG 3.46Å; V202-K206 PolarHBondContact O-N 3.17Å
203K93.4Very high90.6Very high177 Ų17767.7 Ų67.777%0.7733%0.329SS*.Hα-helixtrans-67.8-41.7179.2-173.3-179.1179.5-178.50110.8N201 K207N201-K203 PolarHBondContact O-N 3.37Å; N201-K203 VanDerWaalsContact O-N 3.16Å; N201-K203 WeakPolarHBondContact OD1-CB 3.31Å; N201-K203 PolarHBondContact OD1-N 3.14Å; N201-K203 VanDerWaalsContact OD1-N 3.08Å; K203-K207 PolarHBondContact O-N 3.34Å
204Y93.1Very high91.2Very high81 Ų8168 Ų6832%0.31833%0.331SS..Hα-helixtrans-64-47.7173.1170.2-108.6000111.2A135 D198 N201 K206 K207 I208A135-Y204 HydrophobicContact CB-CE1 4.31Å; D198-Y204 VanDerWaalsContact O-CD1 3.31Å; D198-Y204 WeakPolarHBondContact O-CD1 3.42Å; N201-Y204 WeakPolarHBondContact O-CB 3.39Å; N201-Y204 PolarHBondContact O-N 3.31Å; N201-Y204 PolarHBondContact OD1-N 3.37Å; N201-Y204 VanDerWaalsContact OD1-N 3.11Å; Y204-K206 VanDerWaalsContact C-N 3.35Å; Y204-K206 PolarHBondContact O-N 3.21Å; Y204-K207 WeakPolarHBondContact O-CB 3.44Å; Y204-K207 PolarHBondContact O-N 3.06Å; Y204-K207 VanDerWaalsContact O-N 3.08Å; Y204-I208 HydrophobicContact CD1-CD1 4.49Å; Y204-I208 HydrophobicContact CD2-CG2 4.14Å; Y204-I208 HydrophobicContact CE1-CD1 3.96Å; Y204-I208 HydrophobicContact CE1-CG2 4.33Å; Y204-I208 HydrophobicContact CE2-CG2 3.54Å; Y204-I208 WeakPolarHBondContact O-CG1 3.37Å; Y204-I208 PolarHBondContact O-N 3.28Å
205L93.7Very high91.8Very high4 Ų465.6 Ų65.62%0.02131%0.313CS..Hα-helixtrans-55.5-46.8177-69.4-179.2000112.4L146 H199 N201 V202 K207 I208 L209L146-L205 HydrophobicContact CD1-CB 4.17Å; L146-L205 HydrophobicContact CD1-CD1 3.82Å; H199-L205 WeakPolarHBondContact O-CD1 3.27Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3Å; V202-L205 PolarHBondContact O-N 2.96Å; L205-K207 VanDerWaalsContact C-N 3.32Å; L205-K207 PolarHBondContact O-N 3.17Å; L205-I208 HydrophobicContact CD2-CD1 4.04Å; L205-I208 WeakPolarHBondContact O-CG1 3.44Å; L205-I208 PolarHBondContact O-N 2.67Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.25Å
206K93.7Very high92.4Very high116 Ų11662.5 Ų62.550%0.50430%0.3SS..Hα-helixtrans-58.5-44.9176.1-75.5177.7178.3-1790111.6V202 Y204 I208 L209 D210V202-K206 HydrophobicContact CG1-CD 4.23Å; V202-K206 HydrophobicContact CG1-CG 4.43Å; V202-K206 WeakPolarHBondContact O-CB 3.31Å; V202-K206 WeakPolarHBondContact O-CG 3.46Å; V202-K206 PolarHBondContact O-N 3.17Å; Y204-K206 VanDerWaalsContact C-N 3.35Å; Y204-K206 PolarHBondContact O-N 3.21Å; K206-I208 PolarHBondContact O-N 2.71Å; K206-L209 PolarHBondContact O-N 3.49Å; K206-D210 VanDerWaalsContact O-CG 3.29Å; K206-D210 PolarHBondContact O-N 2.91Å
207K95.7Very high93.3Very high124 Ų12464.5 Ų64.554%0.53931%0.311SS..Hα-helixtrans-58.1-50.6177.4-177.6-168.7171.8-163.90112K203 Y204 L205 L209 D210 E211K203-K207 PolarHBondContact O-N 3.34Å; Y204-K207 WeakPolarHBondContact O-CB 3.44Å; Y204-K207 PolarHBondContact O-N 3.06Å; Y204-K207 VanDerWaalsContact O-N 3.08Å; L205-K207 VanDerWaalsContact C-N 3.32Å; L205-K207 PolarHBondContact O-N 3.17Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 PolarHBondContact O-N 3.18Å; K207-D210 PolarHBondContact O-N 3.22Å; K207-E211 WeakPolarHBondContact CE-OE1 3.42Å; K207-E211 IonicContact NZ-OE1 3.36Å; K207-E211 WeakPolarHBondContact O-CG 3.43Å; K207-E211 PolarHBondContact O-N 2.89Å
208I95.6Very high94.1Very high5 Ų562.7 Ų62.73%0.02630%0.299CS..Hα-helixtrans-70.3-24.1-178.959.4166.5000112.7P132 A135 Y136 Y204 L205 K206 L212P132-I208 HydrophobicContact CG-CB 4.17Å; P132-I208 HydrophobicContact CG-CD1 3.96Å; P132-I208 HydrophobicContact CG-CG2 4.28Å; A135-I208 HydrophobicContact CB-CD1 3.57Å; Y136-I208 HydrophobicContact CD1-CD1 3.73Å; Y136-I208 HydrophobicContact CD1-CG1 4.18Å; Y136-I208 HydrophobicContact CE1-CB 3.91Å; Y136-I208 HydrophobicContact CE1-CD1 3.52Å; Y136-I208 HydrophobicContact CE1-CG1 3.61Å; Y136-I208 WeakPolarHBondContact CE1-O 3.47Å; Y136-I208 PolarHBondContact OH-O 3.38Å; Y204-I208 HydrophobicContact CD1-CD1 4.49Å; Y204-I208 HydrophobicContact CD2-CG2 4.14Å; Y204-I208 HydrophobicContact CE1-CD1 3.96Å; Y204-I208 HydrophobicContact CE1-CG2 4.33Å; Y204-I208 HydrophobicContact CE2-CG2 3.54Å; Y204-I208 WeakPolarHBondContact O-CG1 3.37Å; Y204-I208 PolarHBondContact O-N 3.28Å; L205-I208 HydrophobicContact CD2-CD1 4.04Å; L205-I208 WeakPolarHBondContact O-CG1 3.44Å; L205-I208 PolarHBondContact O-N 2.67Å; K206-I208 PolarHBondContact O-N 2.71Å; I208-L212 PolarHBondContact O-N 3.01Å
209L95.1Very high94.9Very high10 Ų1058.9 Ų58.95%0.05228%0.279CS..Hα-helixtrans-73.1-36.6171.3-72.2171.1000111.6Y136 L205 K206 K207 E211 L212 E213 F263Y136-L209 HydrophobicContact CD1-CD2 3.83Å; Y136-L209 HydrophobicContact CD1-CG 4.44Å; Y136-L209 HydrophobicContact CE1-CD2 3.98Å; Y136-L209 HydrophobicContact CE1-CG 4.4Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.25Å; K206-L209 PolarHBondContact O-N 3.49Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 PolarHBondContact O-N 3.18Å; L209-E211 VanDerWaalsContact C-N 3.33Å; L209-L212 HydrophobicContact CD2-CD2 4.26Å; L209-L212 WeakPolarHBondContact O-CB 3.49Å; L209-L212 PolarHBondContact O-N 3.46Å; L209-E213 PolarHBondContact O-N 3.45Å; L209-F263 HydrophobicContact CD1-CE1 4.29Å; L209-F263 HydrophobicContact CD1-CZ 4.28Å; L209-F263 HydrophobicContact CD2-CE1 3.86Å; L209-F263 HydrophobicContact CD2-CE2 4.14Å; L209-F263 HydrophobicContact CD2-CZ 3.6Å
210D95.6Very high95.4Very high86 Ų8659.4 Ų59.446%0.4628%0.281SS..Hα-helixtrans-66.6-36.8172.7-64-22.1000111.2K206 K207 E213 K214K206-D210 VanDerWaalsContact O-CG 3.29Å; K206-D210 PolarHBondContact O-N 2.91Å; K207-D210 PolarHBondContact O-N 3.22Å; D210-E213 PolarHBondContact O-N 2.88Å; D210-K214 PolarHBondContact O-N 3.34Å
211E96.9Very high96Very high77 Ų7759.4 Ų59.436%0.3629%0.285SS..Hα-helixtrans-63.7-41.8171.8-71.2169.9-178.100111.7K207 L209 E213 K214 V215K207-E211 WeakPolarHBondContact CE-OE1 3.42Å; K207-E211 IonicContact NZ-OE1 3.36Å; K207-E211 WeakPolarHBondContact O-CG 3.43Å; K207-E211 PolarHBondContact O-N 2.89Å; L209-E211 VanDerWaalsContact C-N 3.33Å; E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 3.37Å; E211-K214 WeakPolarHBondContact O-CB 3.46Å; E211-K214 PolarHBondContact O-N 3.26Å; E211-V215 PolarHBondContact O-N 3.47Å
212L97.4Very high96.3Very high0 Ų056.6 Ų56.60%027%0.269CS..Hα-helixtrans-57.3-43.7172.4171.464.3000111.7L131 Y136 I208 L209 K214 V215 L216 L258 N267L131-L212 HydrophobicContact CD1-CD1 3.87Å; L131-L212 HydrophobicContact CD2-CB 4.5Å; L131-L212 HydrophobicContact CD2-CD1 3.97Å; Y136-L212 HydrophobicContact CE2-CD2 4.36Å; I208-L212 PolarHBondContact O-N 3.01Å; L209-L212 HydrophobicContact CD2-CD2 4.26Å; L209-L212 WeakPolarHBondContact O-CB 3.49Å; L209-L212 PolarHBondContact O-N 3.46Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.93Å; L212-V215 PolarHBondContact O-N 2.91Å; L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CD2 4.43Å; L212-L216 HydrophobicContact CD1-CG 4.06Å; L212-L216 HydrophobicContact CG-CD1 4.24Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 2.93Å; L212-L258 HydrophobicContact CD1-CD1 3.92Å; L212-L258 HydrophobicContact CD2-CD1 3.98Å; L212-L258 HydrophobicContact CD2-CD2 3.65Å; L212-L258 HydrophobicContact CD2-CG 4.49Å; L212-L258 HydrophobicContact CG-CD1 4.48Å; L212-N267 WeakPolarHBondContact CD2-ND2 3.36Å
213E97Very high96.6Very high35 Ų3554.7 Ų54.716%0.16426%0.257CS..Hα-helixtrans-59.1-41.9178.1-69-161.5-156.700111.5L209 D210 E211 V215 L216 D217 R266 K272 R273L209-E213 PolarHBondContact O-N 3.45Å; D210-E213 PolarHBondContact O-N 2.88Å; E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 3.37Å; E213-V215 PolarHBondContact O-N 3.29Å; E213-L216 PolarHBondContact O-N 3.42Å; E213-D217 PolarHBondContact O-N 2.87Å; E213-R266 IonicContact OE1-CZ 3.77Å; E213-R266 IonicContact OE1-NE 3.68Å; E213-R266 PolarHBondContact OE1-NE 3.47Å; E213-R266 IonicContact OE1-NH2 3.53Å; E213-R266 PolarHBondContact OE1-NH2 2.99Å; E213-K272 IonicContact OE1-NZ 3.45Å; E213-K272 IonicContact OE2-NZ 3.25Å; E213-K272 PolarHBondContact OE2-NZ 3.17Å; E213-R273 PolarHBondContact O-NH2 3.42Å
214K97.9Very high96.7Very high131 Ų13150.4 Ų50.457%0.5724%0.24SC*.Hα-helixtrans-64.3-37.4176.1-64.8171.2-176173.90113.1D210 E211 L212 L216 D217 Q218D210-K214 PolarHBondContact O-N 3.34Å; E211-K214 WeakPolarHBondContact O-CB 3.46Å; E211-K214 PolarHBondContact O-N 3.26Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.93Å; K214-L216 VanDerWaalsContact C-N 3.35Å; K214-D217 PolarHBondContact O-N 3.44Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 2.89Å; K214-Q218 PolarHBondContact O-NE2 3.33Å
215V98.5Very high96.7Very high13 Ų1353 Ų538%0.07925%0.249CC..Hα-helixtrans-64.7-43.5174.7171.20000110.1L127 L128 L131 E211 L212 E213 D217 Q218 V219L127-V215 HydrophobicContact CD1-CG2 3.98Å; L127-V215 HydrophobicContact CD2-CG1 4.08Å; L127-V215 HydrophobicContact CG-CG1 3.94Å; L127-V215 HydrophobicContact CG-CG2 4.28Å; L128-V215 HydrophobicContact CD2-CG1 4.19Å; L131-V215 HydrophobicContact CD1-CG1 4.31Å; L131-V215 HydrophobicContact CD2-CB 4.33Å; L131-V215 HydrophobicContact CD2-CG1 4.44Å; L131-V215 HydrophobicContact CD2-CG2 4.05Å; E211-V215 PolarHBondContact O-N 3.47Å; L212-V215 PolarHBondContact O-N 2.91Å; E213-V215 PolarHBondContact O-N 3.29Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 3.46Å; V215-Q218 WeakPolarHBondContact O-CB 3.22Å; V215-Q218 PolarHBondContact O-N 2.74Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 2.87Å
216L98.5Very high96.6Very high0 Ų053.6 Ų53.60%025%0.251CS..Hα-helixtrans-68-30.2178.2-63.8-178.2000112.9L212 E213 K214 V219 E220 L255 L258 N267 L276L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CD2 4.43Å; L212-L216 HydrophobicContact CD1-CG 4.06Å; L212-L216 HydrophobicContact CG-CD1 4.24Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 2.93Å; E213-L216 PolarHBondContact O-N 3.42Å; K214-L216 VanDerWaalsContact C-N 3.35Å; L216-V219 PolarHBondContact O-N 3.36Å; L216-E220 WeakPolarHBondContact O-CB 3.17Å; L216-E220 PolarHBondContact O-N 3.37Å; L216-L255 HydrophobicContact CD2-CD2 4.25Å; L216-L258 HydrophobicContact CD1-CD1 4.46Å; L216-N267 HydrophobicContact CD1-CB 3.69Å; L216-N267 VanDerWaalsContact CD1-ND2 3.34Å; L216-N267 WeakPolarHBondContact CD1-ND2 3.39Å; L216-L276 HydrophobicContact CB-CD2 4.27Å; L216-L276 HydrophobicContact CD1-CD2 4.5Å; L216-L276 HydrophobicContact CD2-CD2 3.96Å; L216-L276 HydrophobicContact CG-CD2 4.46Å
217D98.5Very high96.5Very high74 Ų7450.7 Ų50.740%0.39624%0.241SC..Hα-helixtrans-65.3-40171.6-70.3-30.8000112.3E213 K214 V215 E220 T221 R273E213-D217 PolarHBondContact O-N 2.87Å; K214-D217 PolarHBondContact O-N 3.44Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 3.46Å; D217-E220 PolarHBondContact O-N 3.44Å; D217-T221 WeakPolarHBondContact O-CB 3.15Å; D217-T221 PolarHBondContact O-N 3.21Å; D217-T221 PolarHBondContact O-OG1 3.39Å; D217-R273 IonicContact OD1-CZ 2.73Å; D217-R273 IonicContact OD1-NE 2.73Å; D217-R273 PolarHBondContact OD1-NE 3Å; D217-R273 IonicContact OD1-NH2 2.78Å; D217-R273 PolarHBondContact OD1-NH2 2.88Å; D217-R273 IonicContact OD2-NH2 3.2Å; D217-R273 PolarHBondContact OD2-NH2 3.22Å
218Q98.4Very high96.3Very high82 Ų8251.2 Ų51.238%0.38325%0.246SC..Hα-helixtrans-64.6-41.1174.2-71.1174.861.800111.6L127 K214 V215 E222L127-Q218 HydrophobicContact CD2-CB 4.44Å; K214-Q218 WeakPolarHBondContact O-CG 3.49Å; K214-Q218 PolarHBondContact O-N 2.89Å; K214-Q218 PolarHBondContact O-NE2 3.33Å; V215-Q218 WeakPolarHBondContact O-CB 3.22Å; V215-Q218 PolarHBondContact O-N 2.74Å; Q218-E222 PolarHBondContact O-N 2.96Å; Q218-E222 VanDerWaalsContact O-N 3.08Å
219V98.6Very high95.9Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-65.6-45.5175.8173.20000111.2Y124 L128 V215 L216 T221 E222 L223 L239 L251 L276Y124-V219 HydrophobicContact CD1-CG2 4.28Å; Y124-V219 HydrophobicContact CE1-CG2 4.27Å; L128-V219 HydrophobicContact CD2-CG2 4.31Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 2.87Å; L216-V219 PolarHBondContact O-N 3.36Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 3.38Å; V219-E222 PolarHBondContact O-N 3.02Å; V219-L223 HydrophobicContact CG1-CD1 3.91Å; V219-L223 HydrophobicContact CG1-CG 4.31Å; V219-L223 VanDerWaalsContact O-CG 3.32Å; V219-L223 WeakPolarHBondContact O-CG 3.15Å; V219-L223 PolarHBondContact O-N 3.02Å; V219-L239 HydrophobicContact CG1-CD1 3.95Å; V219-L251 HydrophobicContact CG1-CD1 4.01Å; V219-L251 HydrophobicContact CG1-CD2 3.56Å; V219-L251 HydrophobicContact CG1-CG 4.48Å; V219-L251 HydrophobicContact CG2-CD1 4.42Å; V219-L276 HydrophobicContact CG1-CD1 3.72Å
220E98.3Very high95.4Very high19 Ų1957 Ų579%0.08928%0.275CS..Hα-helixtrans-58.9-46.3177.8177.263.8-169.300111.5L216 D217 E222 L223 Q224 R273 P274 N275 L276L216-E220 WeakPolarHBondContact O-CB 3.17Å; L216-E220 PolarHBondContact O-N 3.37Å; D217-E220 PolarHBondContact O-N 3.44Å; E220-E222 VanDerWaalsContact C-N 3.32Å; E220-E222 PolarHBondContact O-N 3.45Å; E220-L223 PolarHBondContact O-N 3.07Å; E220-Q224 WeakPolarHBondContact O-CB 3.39Å; E220-Q224 PolarHBondContact O-N 3.06Å; E220-R273 HydrophobicContact CB-CB 4.31Å; E220-R273 HydrophobicContact CB-CG 4.21Å; E220-R273 HydrophobicContact CG-CB 4.07Å; E220-R273 HydrophobicContact CG-CG 4.14Å; E220-R273 WeakPolarHBondContact OE2-CB 3.42Å; E220-P274 VanDerWaalsContact OE1-CD 3.28Å; E220-P274 WeakPolarHBondContact OE1-CD 3.23Å; E220-N275 WeakPolarHBondContact OE1-CB 3.35Å; E220-N275 PolarHBondContact OE1-N 3.43Å; E220-N275 PolarHBondContact OE1-ND2 3.08Å; E220-N275 WeakPolarHBondContact OE2-CB 2.77Å; E220-N275 PolarHBondContact OE2-N 2.88Å; E220-L276 VanDerWaalsContact OE2-CB 3.24Å; E220-L276 WeakPolarHBondContact OE2-CB 3.5Å; E220-L276 PolarHBondContact OE2-N 3.08Å
221T98Very high94.5Very high90 Ų9057.7 Ų57.755%0.55228%0.284SS*.Hα-helixtrans-62-41.4179.3-59.20000111.1D217 V219 R225D217-T221 WeakPolarHBondContact O-CB 3.15Å; D217-T221 PolarHBondContact O-N 3.21Å; D217-T221 PolarHBondContact O-OG1 3.39Å; V219-T221 VanDerWaalsContact C-N 3.34Å; V219-T221 PolarHBondContact O-N 3.38Å; T221-R225 WeakPolarHBondContact O-CB 3.39Å; T221-R225 PolarHBondContact O-N 3.33Å
222E97.3Very high93.2Very high18 Ų1864 Ų648%0.08431%0.313CS..Hα-helixtrans-68.4-43.5176.9-175.661.7-163.600111.9R120 Y124 Q218 V219 E220 Q224 R225 R226 L239R120-E222 WeakPolarHBondContact CD-OE1 3.39Å; R120-E222 IonicContact CZ-OE1 3.75Å; R120-E222 IonicContact NE-OE1 3.26Å; R120-E222 PolarHBondContact NE-OE1 3.3Å; Y124-E222 HydrophobicContact CE1-CB 4.4Å; Y124-E222 HydrophobicContact CE2-CB 4.25Å; Y124-E222 HydrophobicContact CE2-CG 3.7Å; Y124-E222 WeakPolarHBondContact OH-CB 3.34Å; Y124-E222 WeakPolarHBondContact OH-CG 3.42Å; Q218-E222 PolarHBondContact O-N 2.96Å; Q218-E222 VanDerWaalsContact O-N 3.08Å; V219-E222 PolarHBondContact O-N 3.02Å; E220-E222 VanDerWaalsContact C-N 3.32Å; E220-E222 PolarHBondContact O-N 3.45Å; E222-Q224 VanDerWaalsContact C-N 3.31Å; E222-Q224 PolarHBondContact O-N 2.9Å; E222-R225 WeakPolarHBondContact O-CB 3.31Å; E222-R225 PolarHBondContact O-N 2.95Å; E222-R226 HydrophobicContact CG-CG 4.44Å; E222-R226 VanDerWaalsContact O-CG 3.29Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.24Å; E222-R226 IonicContact OE1-CZ 2.87Å; E222-R226 IonicContact OE1-NE 3.65Å; E222-R226 PolarHBondContact OE1-NE 3.38Å; E222-R226 IonicContact OE1-NH2 2.75Å; E222-L239 HydrophobicContact CB-CD1 4.44Å; E222-L239 HydrophobicContact CG-CD1 4.28Å
223L96.9Very high91.9Very high6 Ų673.5 Ų73.53%0.03136%0.358CS..Hα-helixtrans-60-42176-71.5172000111.7V219 E220 R226 N227 L239 N275 L276 Y279V219-L223 HydrophobicContact CG1-CD1 3.91Å; V219-L223 HydrophobicContact CG1-CG 4.31Å; V219-L223 VanDerWaalsContact O-CG 3.32Å; V219-L223 WeakPolarHBondContact O-CG 3.15Å; V219-L223 PolarHBondContact O-N 3.02Å; E220-L223 PolarHBondContact O-N 3.07Å; L223-R226 PolarHBondContact O-N 2.99Å; L223-N227 VanDerWaalsContact O-CG 3.29Å; L223-N227 PolarHBondContact O-N 2.64Å; L223-N227 PolarHBondContact O-ND2 2.85Å; L223-L239 HydrophobicContact CD2-CD1 4.05Å; L223-L239 HydrophobicContact CG-CD1 4.11Å; L223-N275 HydrophobicContact CB-CB 3.82Å; L223-L276 HydrophobicContact CD1-CB 4.21Å; L223-L276 HydrophobicContact CD1-CD1 3.93Å; L223-Y279 HydrophobicContact CD1-CD2 4.39Å; L223-Y279 HydrophobicContact CD1-CG 4.09Å; L223-Y279 HydrophobicContact CD2-CD2 3.61Å; L223-Y279 HydrophobicContact CD2-CE2 4.21Å; L223-Y279 HydrophobicContact CD2-CG 4.15Å
224Q95.5Very high90.6Very high88 Ų8873.6 Ų73.641%0.41137%0.368SS..Hα-helixtrans-58.8-51.6173.2179.7-179.6-10.200110.9E220 E222 R226 N227 E228E220-Q224 WeakPolarHBondContact O-CB 3.39Å; E220-Q224 PolarHBondContact O-N 3.06Å; E222-Q224 VanDerWaalsContact C-N 3.31Å; E222-Q224 PolarHBondContact O-N 2.9Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 2.94Å; Q224-N227 WeakPolarHBondContact O-CB 3.11Å; Q224-N227 PolarHBondContact O-N 3.32Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.46Å; Q224-E228 PolarHBondContact NE2-OE1 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.2Å; Q224-E228 PolarHBondContact O-N 2.9Å
225R94.4Very high89.7Confident135 Ų13575.6 Ų75.651%0.50938%0.38SS..Hα-helixtrans-57.5-41178.5-177.1-178.8177.7159.58.3112T221 E222 N227 E228 E229T221-R225 WeakPolarHBondContact O-CB 3.39Å; T221-R225 PolarHBondContact O-N 3.33Å; E222-R225 WeakPolarHBondContact O-CB 3.31Å; E222-R225 PolarHBondContact O-N 2.95Å; R225-N227 VanDerWaalsContact C-N 3.34Å; R225-E228 PolarHBondContact O-N 3.16Å; R225-E229 VanDerWaalsContact CG-OE1 3.32Å; R225-E229 WeakPolarHBondContact CG-OE1 3.3Å; R225-E229 IonicContact CZ-OE1 3.48Å; R225-E229 IonicContact NE-OE1 3.71Å; R225-E229 PolarHBondContact NE-OE1 3.21Å; R225-E229 IonicContact NH2-OE1 2.59Å; R225-E229 WeakPolarHBondContact O-CB 3.27Å; R225-E229 WeakPolarHBondContact O-CG 3.46Å; R225-E229 PolarHBondContact O-N 3.17Å
226R91.4Very high89.1Confident16 Ų1679.5 Ų79.56%0.0640%0.397CS..Hα-helixtrans-62-43.6176.1-67.2-56.998.6-145.3-9.7111E222 L223 Q224 E228 E229 T230 P237E222-R226 HydrophobicContact CG-CG 4.44Å; E222-R226 VanDerWaalsContact O-CG 3.29Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.24Å; E222-R226 IonicContact OE1-CZ 2.87Å; E222-R226 IonicContact OE1-NE 3.65Å; E222-R226 PolarHBondContact OE1-NE 3.38Å; E222-R226 IonicContact OE1-NH2 2.75Å; L223-R226 PolarHBondContact O-N 2.99Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 2.94Å; R226-E228 VanDerWaalsContact C-N 3.35Å; R226-E229 IonicContact CZ-OE1 2.78Å; R226-E229 IonicContact CZ-OE2 3.06Å; R226-E229 IonicContact NH1-OE2 3.37Å; R226-E229 PolarHBondContact NH1-OE2 3.14Å; R226-E229 IonicContact NH2-OE1 2.95Å; R226-E229 PolarHBondContact NH2-OE1 3.44Å; R226-E229 IonicContact NH2-OE2 3.95Å; R226-E229 PolarHBondContact NH2-OE2 2.97Å; R226-E229 PolarHBondContact O-N 3.15Å; R226-T230 WeakPolarHBondContact O-CB 3.44Å; R226-T230 PolarHBondContact O-N 3.39Å; R226-T230 VanDerWaalsContact O-N 3.09Å; R226-T230 PolarHBondContact O-OG1 3.36Å; R226-P237 HydrophobicContact CB-CB 3.94Å; R226-P237 HydrophobicContact CB-CG 3.5Å; R226-P237 VanDerWaalsContact CB-CG 3.5Å
227N90.3Very high88.7Confident55 Ų5579.8 Ų79.829%0.29440%0.399SS..Hα-helixtrans-63.3-40.3178.4-70.7-21.6000111.9L223 Q224 R225 T230 N275L223-N227 VanDerWaalsContact O-CG 3.29Å; L223-N227 PolarHBondContact O-N 2.64Å; L223-N227 PolarHBondContact O-ND2 2.85Å; Q224-N227 WeakPolarHBondContact O-CB 3.11Å; Q224-N227 PolarHBondContact O-N 3.32Å; R225-N227 VanDerWaalsContact C-N 3.34Å; N227-T230 PolarHBondContact O-N 3.25Å; N227-N275 PolarHBondContact ND2-OD1 3.37Å
228E91.3Very high88.6Confident136 Ų13677.6 Ų77.664%0.63639%0.385SS*.Hα-helixtrans-68.5-32.9177.1-68.6169.4-176.500112.9Q224 R225 R226Q224-E228 WeakPolarHBondContact CG-OE1 3.46Å; Q224-E228 PolarHBondContact NE2-OE1 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.2Å; Q224-E228 PolarHBondContact O-N 2.9Å; R225-E228 PolarHBondContact O-N 3.16Å; R226-E228 VanDerWaalsContact C-N 3.35Å
229E87.8Confident88.5Confident99 Ų9973.7 Ų73.746%0.46337%0.367SS..Hα-helixtrans-82.1-12.3177.7-71177.3-160.900113.4R225 R226R225-E229 VanDerWaalsContact CG-OE1 3.32Å; R225-E229 WeakPolarHBondContact CG-OE1 3.3Å; R225-E229 IonicContact CZ-OE1 3.48Å; R225-E229 IonicContact NE-OE1 3.71Å; R225-E229 PolarHBondContact NE-OE1 3.21Å; R225-E229 IonicContact NH2-OE1 2.59Å; R225-E229 WeakPolarHBondContact O-CB 3.27Å; R225-E229 WeakPolarHBondContact O-CG 3.46Å; R225-E229 PolarHBondContact O-N 3.17Å; R226-E229 IonicContact CZ-OE1 2.78Å; R226-E229 IonicContact CZ-OE2 3.06Å; R226-E229 IonicContact NH1-OE2 3.37Å; R226-E229 PolarHBondContact NH1-OE2 3.14Å; R226-E229 IonicContact NH2-OE1 2.95Å; R226-E229 PolarHBondContact NH2-OE1 3.44Å; R226-E229 IonicContact NH2-OE2 3.95Å; R226-E229 PolarHBondContact NH2-OE2 2.97Å; R226-E229 PolarHBondContact O-N 3.15Å
230T84Confident88.4Confident37 Ų3773.8 Ų73.823%0.22737%0.367CS..SBendtrans-97.3125.6-178.9-53.10000110.3R226 N227 P237R226-T230 WeakPolarHBondContact O-CB 3.44Å; R226-T230 PolarHBondContact O-N 3.39Å; R226-T230 VanDerWaalsContact O-N 3.09Å; R226-T230 PolarHBondContact O-OG1 3.36Å; N227-T230 PolarHBondContact O-N 3.25Å; T230-P237 WeakPolarHBondContact OG1-CG 3.41Å
231P76.7Confident88Confident100 Ų10073.2 Ų73.265%0.64937%0.366SS*.  trans-56.6147.4176.9-23.933.2000112.8E233 G234P231-E233 PolarHBondContact O-N 3.42Å; P231-E233 VanDerWaalsContact O-N 3.1Å; P231-G234 WeakPolarHBondContact O-CA 3.4Å; P231-G234 PolarHBondContact O-N 3.23Å
232E71.4Confident87.6Confident209 Ų20976 Ų7698%0.97737%0.373SS*.THydrogen-bonded Turntrans-57.6-27.5-177.3-71.4-173.2164.700114.2G234E232-G234 VanDerWaalsContact C-N 3.34Å
233E70.1Confident87.4Confident200 Ų20079.2 Ų79.294%0.93540%0.397SS*.THydrogen-bonded Turntrans-85.8-5.7177.6-62.6-179.2174.300113.4P231P231-E233 PolarHBondContact O-N 3.42Å; P231-E233 VanDerWaalsContact O-N 3.1Å
234G68.8Low87.4Confident37 Ų3779.7 Ų79.738%0.38140%0.399SS..SBendtrans-80160.1-179.300000113.5P231 E232 Q236P231-G234 WeakPolarHBondContact O-CA 3.4Å; P231-G234 PolarHBondContact O-N 3.23Å; E232-G234 VanDerWaalsContact C-N 3.34Å; G234-Q236 PolarHBondContact O-N 2.76Å
235Q79.8Confident87.5Confident174 Ų17475.9 Ų75.981%0.81338%0.382SS*.PPolyproline II helixtrans-65.4135.3166.6-67.5-175.611.800109.2
236Q84.5Confident87.7Confident94 Ų9469.6 Ų69.644%0.43936%0.359SS..PPolyproline II helixtrans-55.8133.7176.7-75.2-167.8-8.800110.9G234 R282G234-Q236 PolarHBondContact O-N 2.76Å; Q236-R282 VanDerWaalsContact CB-NH1 3.29Å; Q236-R282 PolarHBondContact O-NH1 2.91Å; Q236-R282 PolarHBondContact O-NH2 3.38Å
237P91.7Very high88Confident6 Ų668.9 Ų68.94%0.03936%0.356CS..PPolyproline II helixtrans-69.4158.3-176.230.8-36.9000111.6R226 T230 R282R226-P237 HydrophobicContact CB-CB 3.94Å; R226-P237 HydrophobicContact CB-CG 3.5Å; R226-P237 VanDerWaalsContact CB-CG 3.5Å; T230-P237 WeakPolarHBondContact OG1-CG 3.41Å; P237-R282 PolarHBondContact O-NH1 3.27Å
238W95.7Very high88.4Confident29 Ų2966.2 Ų66.211%0.1134%0.342CS..  trans-87.2-179.5162.8-64.2107000110C240 G241 E242 F244 D248 Y279 R282 V283 R286W238-C240 PolarHBondContact O-N 3.03Å; W238-C240 VanDerWaalsContact O-N 3.1Å; W238-G241 WeakPolarHBondContact CA-O 3.28Å; W238-G241 WeakPolarHBondContact CB-O 3.39Å; W238-G241 PolarHBondContact N-O 3.37Å; W238-G241 PolarHBondContact O-N 2.83Å; W238-E242 VanDerWaalsContact CD1-O 3.25Å; W238-F244 HydrophobicContact CD2-CB 4.34Å; W238-F244 AromaticContact CD2-CD2 3.71Å; W238-F244 HydrophobicContact CD2-CD2 3.71Å; W238-F244 AromaticContact CE3-CD2 3.66Å; W238-F244 HydrophobicContact CE3-CD2 3.66Å; W238-F244 HydrophobicContact CE3-CE2 4.13Å; W238-F244 HydrophobicContact CG-CB 4.29Å; W238-F244 HydrophobicContact CG-CD2 4.3Å; W238-F244 HydrophobicContact CH2-CD2 4.26Å; W238-F244 HydrophobicContact CZ2-CD2 4.3Å; W238-F244 AromaticContact CZ3-CD2 3.94Å; W238-F244 HydrophobicContact CZ3-CD2 3.94Å; W238-F244 HydrophobicContact CZ3-CE2 4.16Å; W238-D248 WeakPolarHBondContact CB-OD1 3.32Å; W238-Y279 HydrophobicContact CE3-CD2 4.27Å; W238-Y279 AromaticContact CE3-CE2 3.66Å; W238-Y279 HydrophobicContact CE3-CE2 3.66Å; W238-Y279 HydrophobicContact CZ3-CE2 4.23Å; W238-R282 HydrophobicContact CH2-CB 4.27Å; W238-R282 HydrophobicContact CZ3-CB 4.4Å; W238-V283 HydrophobicContact CZ3-CG2 4.09Å; W238-R286 HydrophobicContact CH2-CG 4.01Å
239L96.9Very high88.8Confident0 Ų059.8 Ų59.80%031%0.312CS..SBendtrans-55-38.4-171.2-179.560000112.7Y124 L128 V219 E222 L223 A247 D248 L251 Y279Y124-L239 HydrophobicContact CD1-CD1 4.47Å; Y124-L239 HydrophobicContact CD1-CD2 4.04Å; Y124-L239 HydrophobicContact CD1-CG 4.48Å; Y124-L239 HydrophobicContact CD2-CG 4.44Å; Y124-L239 HydrophobicContact CG-CD2 3.85Å; Y124-L239 HydrophobicContact CG-CG 4.21Å; L128-L239 HydrophobicContact CD1-CD2 4.18Å; V219-L239 HydrophobicContact CG1-CD1 3.95Å; E222-L239 HydrophobicContact CB-CD1 4.44Å; E222-L239 HydrophobicContact CG-CD1 4.28Å; L223-L239 HydrophobicContact CD2-CD1 4.05Å; L223-L239 HydrophobicContact CG-CD1 4.11Å; L239-A247 HydrophobicContact CD2-CB 4.12Å; L239-D248 VanDerWaalsContact CB-OD1 3.25Å; L239-D248 WeakPolarHBondContact CB-OD1 3.06Å; L239-D248 PolarHBondContact N-OD1 2.91Å; L239-L251 HydrophobicContact CD1-CD2 4.31Å; L239-L251 HydrophobicContact CD2-CB 4.38Å; L239-L251 HydrophobicContact CD2-CD2 3.91Å; L239-L251 HydrophobicContact CG-CD2 4.49Å; L239-Y279 HydrophobicContact CB-CE2 4.44Å
240C94.9Very high89.3Confident1 Ų155.2 Ų55.21%0.00729%0.291CS..SBendtrans-111.5-3.3-173.7-66.20000114.9Y117 R120 V121 W238Y117-C240 WeakPolarHBondContact CD1-O 3.42Å; R120-C240 HydrophobicContact CG-CB 4.17Å; R120-C240 PolarHBondContact NH1-O 3.47Å; V121-C240 HydrophobicContact CG2-CB 3.48Å; V121-C240 VanDerWaalsContact CG2-CB 3.48Å; W238-C240 PolarHBondContact O-N 3.03Å; W238-C240 VanDerWaalsContact O-N 3.1Å
241G90.9Very high90Very high7 Ų753.5 Ų53.57%0.07228%0.28CS..SBendtrans158.5-157.2-17700000112.3W238 S243W238-G241 WeakPolarHBondContact CA-O 3.28Å; W238-G241 WeakPolarHBondContact CB-O 3.39Å; W238-G241 PolarHBondContact N-O 3.37Å; W238-G241 PolarHBondContact O-N 2.83Å; G241-S243 VanDerWaalsContact C-N 3.33Å; G241-S243 PolarHBondContact O-N 3Å
242E89.9Confident91Very high149 Ų14948.7 Ų48.770%0.69625%0.249SC*.SBendtrans-74.7-23.2-176.5-61.8179.2179.200113.7W238W238-E242 VanDerWaalsContact CD1-O 3.25Å
243S92.6Very high92.3Very high85 Ų8538.8 Ų38.859%0.59420%0.203SC*.SBendtrans-100.2149-177.7-65.60000112G241G241-S243 VanDerWaalsContact C-N 3.33Å; G241-S243 PolarHBondContact O-N 3Å
244F96.7Very high93.6Very high16 Ų1629.2 Ų29.27%0.0716%0.158CC..  trans-79.8124.9174.6-171.5-88.1000109.5E46 W238 D248 V249E46-F244 HydrophobicContact CG-CD1 4.36Å; E46-F244 HydrophobicContact CG-CE1 4.07Å; W238-F244 HydrophobicContact CD2-CB 4.34Å; W238-F244 AromaticContact CD2-CD2 3.71Å; W238-F244 HydrophobicContact CD2-CD2 3.71Å; W238-F244 AromaticContact CE3-CD2 3.66Å; W238-F244 HydrophobicContact CE3-CD2 3.66Å; W238-F244 HydrophobicContact CE3-CE2 4.13Å; W238-F244 HydrophobicContact CG-CB 4.29Å; W238-F244 HydrophobicContact CG-CD2 4.3Å; W238-F244 HydrophobicContact CH2-CD2 4.26Å; W238-F244 HydrophobicContact CZ2-CD2 4.3Å; W238-F244 AromaticContact CZ3-CD2 3.94Å; W238-F244 HydrophobicContact CZ3-CD2 3.94Å; W238-F244 HydrophobicContact CZ3-CE2 4.16Å; F244-D248 HydrophobicContact CD1-CB 4.14Å; F244-D248 HydrophobicContact CD2-CB 3.54Å; F244-D248 HydrophobicContact CE1-CB 3.99Å; F244-D248 HydrophobicContact CE2-CB 3.38Å; F244-D248 HydrophobicContact CG-CB 3.93Å; F244-D248 HydrophobicContact CZ-CB 3.6Å; F244-V249 HydrophobicContact CE1-CG2 3.68Å; F244-V249 HydrophobicContact CZ-CG2 4.43Å
245T97.9Very high95.1Very high9 Ų927.5 Ų27.56%0.05514%0.14CC..  trans-122.8-179.8-168.9660000112.9L109 V121 A247 D248 V249L109-T245 CarbonylContact O-C 3.44Å; L109-T245 WeakPolarHBondContact O-CA 3.35Å; L109-T245 WeakPolarHBondContact O-CB 3.46Å; V121-T245 HydrophobicContact CG2-CG2 3.8Å; T245-A247 PolarHBondContact O-N 3.5Å; T245-A247 PolarHBondContact OG1-N 3.2Å; T245-D248 PolarHBondContact N-OD2 3.08Å; T245-D248 WeakPolarHBondContact O-CB 3.33Å; T245-D248 PolarHBondContact O-N 2.9Å; T245-D248 PolarHBondContact OG1-OD2 3.19Å; T245-V249 PolarHBondContact O-N 3.09Å
246L98.4Very high95.9Very high3 Ų319.6 Ų19.62%0.01610%0.103CC..Hα-helixtrans-58.5-32.1171.6-69.9-174.6000113.2V43 I94 E98 L109 M110 V121 D248 V249 S250V43-L246 HydrophobicContact CG2-CD2 3.91Å; I94-L246 HydrophobicContact CG2-CD1 3.88Å; I94-L246 HydrophobicContact CG2-CD2 3.59Å; I94-L246 HydrophobicContact CG2-CG 4.39Å; E98-L246 HydrophobicContact CG-CD1 4.03Å; E98-L246 HydrophobicContact CG-CD2 4.46Å; L109-L246 HydrophobicContact CB-CD2 3.63Å; L109-L246 HydrophobicContact CB-CG 3.78Å; L109-L246 HydrophobicContact CD1-CD2 3.95Å; L109-L246 HydrophobicContact CG-CD2 4.47Å; L109-L246 PolarHBondContact O-N 2.96Å; M110-L246 HydrophobicContact CB-CD1 4.39Å; M110-L246 HydrophobicContact SD-CD1 4.33Å; V121-L246 HydrophobicContact CG1-CB 4.47Å; L246-D248 VanDerWaalsContact C-N 3.28Å; L246-D248 PolarHBondContact O-N 3.28Å; L246-V249 WeakPolarHBondContact O-CB 3.21Å; L246-V249 PolarHBondContact O-N 2.87Å; L246-S250 PolarHBondContact O-N 2.64Å; L246-S250 PolarHBondContact O-OG 2.77Å
247A98.4Very high96.5Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-63.8-38.4174.700000110.9V121 L239 T245 S250 L251V121-A247 HydrophobicContact CG1-CB 4.16Å; L239-A247 HydrophobicContact CD2-CB 4.12Å; T245-A247 PolarHBondContact O-N 3.5Å; T245-A247 PolarHBondContact OG1-N 3.2Å; A247-S250 PolarHBondContact O-N 3.29Å; A247-L251 WeakPolarHBondContact O-CB 3.21Å; A247-L251 PolarHBondContact O-N 3.49Å
248D98.6Very high96.7Very high0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-70.7-36.6175.8-61.4-77.6000112.7W238 L239 F244 T245 L246 L251 A252 Y279W238-D248 WeakPolarHBondContact CB-OD1 3.32Å; L239-D248 VanDerWaalsContact CB-OD1 3.25Å; L239-D248 WeakPolarHBondContact CB-OD1 3.06Å; L239-D248 PolarHBondContact N-OD1 2.91Å; F244-D248 HydrophobicContact CD1-CB 4.14Å; F244-D248 HydrophobicContact CD2-CB 3.54Å; F244-D248 HydrophobicContact CE1-CB 3.99Å; F244-D248 HydrophobicContact CE2-CB 3.38Å; F244-D248 HydrophobicContact CG-CB 3.93Å; F244-D248 HydrophobicContact CZ-CB 3.6Å; T245-D248 PolarHBondContact N-OD2 3.08Å; T245-D248 WeakPolarHBondContact O-CB 3.33Å; T245-D248 PolarHBondContact O-N 2.9Å; T245-D248 PolarHBondContact OG1-OD2 3.19Å; L246-D248 VanDerWaalsContact C-N 3.28Å; L246-D248 PolarHBondContact O-N 3.28Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-A252 WeakPolarHBondContact O-CB 3.4Å; D248-A252 PolarHBondContact O-N 2.97Å; D248-Y279 VanDerWaalsContact CA-OH 3.32Å; D248-Y279 WeakPolarHBondContact CA-OH 3.4Å; D248-Y279 VanDerWaalsContact CB-OH 3.24Å; D248-Y279 WeakPolarHBondContact CB-OH 3.39Å; D248-Y279 WeakPolarHBondContact OD1-CE2 3.28Å; D248-Y279 PolarHBondContact OD1-OH 3Å
249V98.6Very high96.7Very high1 Ų117.5 Ų17.51%0.0069%0.092CC..Hα-helixtrans-56.7-51.8170.2170.20000109.9L42 V43 L109 F244 T245 L246 L251 A252 V253L42-V249 HydrophobicContact CB-CG1 4.39Å; L42-V249 HydrophobicContact CD2-CB 4.48Å; L42-V249 HydrophobicContact CD2-CG1 4.14Å; L42-V249 HydrophobicContact CD2-CG2 4.43Å; L42-V249 HydrophobicContact CG-CG1 4.4Å; L42-V249 HydrophobicContact CG-CG2 4.45Å; V43-V249 HydrophobicContact CG2-CB 4.48Å; V43-V249 HydrophobicContact CG2-CG1 3.79Å; V43-V249 HydrophobicContact CG2-CG2 4.16Å; L109-V249 HydrophobicContact CD1-CG2 4.31Å; F244-V249 HydrophobicContact CE1-CG2 3.68Å; F244-V249 HydrophobicContact CZ-CG2 4.43Å; T245-V249 PolarHBondContact O-N 3.09Å; L246-V249 WeakPolarHBondContact O-CB 3.21Å; L246-V249 PolarHBondContact O-N 2.87Å; V249-L251 PolarHBondContact O-N 2.87Å; V249-A252 PolarHBondContact O-N 3.37Å; V249-V253 WeakPolarHBondContact O-CG2 3.22Å; V249-V253 PolarHBondContact O-N 3Å
250S98.5Very high96.6Very high3 Ų318.1 Ų18.12%0.02110%0.095CC..Hα-helixtrans-60.7-45.1179.7-72.30000111.4K39 D129 L246 A247 T254K39-S250 WeakPolarHBondContact CE-OG 3.34Å; K39-S250 PolarHBondContact NZ-OG 2.83Å; D129-S250 VanDerWaalsContact OD1-CB 3.31Å; D129-S250 WeakPolarHBondContact OD1-CB 3.49Å; D129-S250 PolarHBondContact OD1-OG 2.85Å; L246-S250 PolarHBondContact O-N 2.64Å; L246-S250 PolarHBondContact O-OG 2.77Å; A247-S250 PolarHBondContact O-N 3.29Å; S250-T254 VanDerWaalsContact O-CB 3.25Å; S250-T254 WeakPolarHBondContact O-CB 3.39Å; S250-T254 PolarHBondContact O-N 2.97Å; S250-T254 PolarHBondContact O-OG1 2.93Å
251L98.8Very high96.5Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-65.2-47.5179.3-17656.7000111.5L128 V219 L239 A247 D248 V249 V253 T254 L255 L276 Y279L128-L251 HydrophobicContact CD1-CB 3.67Å; L128-L251 HydrophobicContact CD1-CD1 4.32Å; L128-L251 HydrophobicContact CD2-CD1 3.88Å; V219-L251 HydrophobicContact CG1-CD1 4.01Å; V219-L251 HydrophobicContact CG1-CD2 3.56Å; V219-L251 HydrophobicContact CG1-CG 4.48Å; V219-L251 HydrophobicContact CG2-CD1 4.42Å; L239-L251 HydrophobicContact CD1-CD2 4.31Å; L239-L251 HydrophobicContact CD2-CB 4.38Å; L239-L251 HydrophobicContact CD2-CD2 3.91Å; L239-L251 HydrophobicContact CG-CD2 4.49Å; A247-L251 WeakPolarHBondContact O-CB 3.21Å; A247-L251 PolarHBondContact O-N 3.49Å; D248-L251 PolarHBondContact O-N 3.27Å; V249-L251 PolarHBondContact O-N 2.87Å; L251-V253 PolarHBondContact O-N 3.11Å; L251-T254 PolarHBondContact O-N 3.15Å; L251-L255 HydrophobicContact CD1-CD1 3.86Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 3.82Å; L251-L255 HydrophobicContact CD2-CD1 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.81Å; L251-L255 HydrophobicContact CG-CG 4.19Å; L251-L255 WeakPolarHBondContact O-CB 3.3Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.3Å; L251-L255 PolarHBondContact O-N 2.8Å; L251-L276 HydrophobicContact CD1-CD1 4.25Å; L251-L276 HydrophobicContact CD2-CD1 4.25Å; L251-Y279 HydrophobicContact CB-CE1 4.37Å; L251-Y279 HydrophobicContact CD2-CD1 3.94Å; L251-Y279 HydrophobicContact CD2-CE1 3.43Å; L251-Y279 VanDerWaalsContact CD2-CE1 3.43Å; L251-Y279 HydrophobicContact CD2-CE2 4.36Å; L251-Y279 HydrophobicContact CG-CD1 4.45Å; L251-Y279 HydrophobicContact CG-CE1 3.76Å
252A98.6Very high96.6Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-56.7-49.3-179.700000112.1L42 D248 V249 H256 V283 F289L42-A252 HydrophobicContact CD2-CB 4.37Å; D248-A252 WeakPolarHBondContact O-CB 3.4Å; D248-A252 PolarHBondContact O-N 2.97Å; V249-A252 PolarHBondContact O-N 3.37Å; A252-H256 VanDerWaalsContact O-CB 3.32Å; A252-H256 WeakPolarHBondContact O-CB 3.27Å; A252-H256 PolarHBondContact O-N 2.84Å; A252-V283 HydrophobicContact CB-CG1 3.51Å; A252-V283 HydrophobicContact CB-CG2 4.17Å; A252-F289 HydrophobicContact CB-CD2 4.16Å; A252-F289 HydrophobicContact CB-CE2 3.95Å
253V98.3Very high96.9Very high0 Ų010.9 Ų10.90%06%0.061CC..Hα-helixtrans-69.7-37.9180-175.90000111F35 Q38 K39 L42 V249 L251 H256 R257 L293F35-V253 HydrophobicContact CD2-CG1 3.76Å; F35-V253 HydrophobicContact CE2-CB 4.22Å; F35-V253 HydrophobicContact CE2-CG1 3.59Å; F35-V253 HydrophobicContact CZ-CG1 4.35Å; Q38-V253 HydrophobicContact CB-CG1 3.63Å; K39-V253 HydrophobicContact CG-CB 3.94Å; K39-V253 HydrophobicContact CG-CG1 3.96Å; K39-V253 HydrophobicContact CG-CG2 4.06Å; L42-V253 HydrophobicContact CD2-CG2 3.81Å; V249-V253 WeakPolarHBondContact O-CG2 3.22Å; V249-V253 PolarHBondContact O-N 3Å; L251-V253 PolarHBondContact O-N 3.11Å; V253-H256 PolarHBondContact O-N 2.96Å; V253-R257 WeakPolarHBondContact O-CB 3.32Å; V253-R257 PolarHBondContact O-N 3.33Å; V253-L293 HydrophobicContact CG1-CD2 4.3Å; V253-L293 HydrophobicContact CG2-CD2 4.14Å
254T98.3Very high97Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-60-52.6174.3-68.60000111.6L131 M133 S250 L251 H256 R257 L258L131-T254 HydrophobicContact CD1-CG2 3.85Å; M133-T254 HydrophobicContact SD-CG2 4.18Å; S250-T254 VanDerWaalsContact O-CB 3.25Å; S250-T254 WeakPolarHBondContact O-CB 3.39Å; S250-T254 PolarHBondContact O-N 2.97Å; S250-T254 PolarHBondContact O-OG1 2.93Å; L251-T254 PolarHBondContact O-N 3.15Å; T254-H256 VanDerWaalsContact C-N 3.28Å; T254-H256 PolarHBondContact O-N 3.03Å; T254-R257 PolarHBondContact O-N 3.13Å; T254-L258 HydrophobicContact CG2-CD1 3.84Å; T254-L258 HydrophobicContact CG2-CG 4.29Å; T254-L258 WeakPolarHBondContact O-CB 3.42Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 3.33Å
255L98.3Very high96.8Very high0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-61.6-38178-64.7175.6000111.8L216 L251 L258 K259 W268 L276 Y279 Y280L216-L255 HydrophobicContact CD2-CD2 4.25Å; L251-L255 HydrophobicContact CD1-CD1 3.86Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 3.82Å; L251-L255 HydrophobicContact CD2-CD1 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.81Å; L251-L255 HydrophobicContact CG-CG 4.19Å; L251-L255 WeakPolarHBondContact O-CB 3.3Å; L251-L255 VanDerWaalsContact O-CG 3.28Å; L251-L255 WeakPolarHBondContact O-CG 3.3Å; L251-L255 PolarHBondContact O-N 2.8Å; L255-L258 PolarHBondContact O-N 3.4Å; L255-K259 WeakPolarHBondContact O-CB 3.39Å; L255-K259 PolarHBondContact O-N 3.39Å; L255-W268 HydrophobicContact CB-CH2 4.39Å; L255-W268 HydrophobicContact CD2-CD2 4.45Å; L255-W268 HydrophobicContact CD2-CE3 3.91Å; L255-W268 HydrophobicContact CD2-CH2 4.14Å; L255-W268 HydrophobicContact CD2-CZ3 3.76Å; L255-W268 WeakPolarHBondContact O-CH2 3.31Å; L255-L276 HydrophobicContact CD1-CD1 3.6Å; L255-L276 HydrophobicContact CD1-CG 4.27Å; L255-L276 HydrophobicContact CD2-CD1 4Å; L255-L276 HydrophobicContact CD2-CD2 4.05Å; L255-L276 HydrophobicContact CD2-CG 4.15Å; L255-L276 HydrophobicContact CG-CD1 4.38Å; L255-Y279 HydrophobicContact CD1-CD1 4.04Å; L255-Y279 HydrophobicContact CD1-CE1 4.22Å; L255-Y280 HydrophobicContact CB-CD2 3.58Å; L255-Y280 HydrophobicContact CB-CE2 3.81Å; L255-Y280 HydrophobicContact CB-CG 4.18Å; L255-Y280 HydrophobicContact CD1-CD2 3.98Å; L255-Y280 HydrophobicContact CD1-CG 4.22Å; L255-Y280 HydrophobicContact CG-CD2 4.45Å
256H97.7Very high96.5Very high8 Ų818 Ų184%0.0378%0.077CC..Hα-helixtrans-63.6-43.2176.4-161.269.7000112.6A252 V253 T254 K259 F260 Y280 F289 L293 N297A252-H256 VanDerWaalsContact O-CB 3.32Å; A252-H256 WeakPolarHBondContact O-CB 3.27Å; A252-H256 PolarHBondContact O-N 2.84Å; V253-H256 PolarHBondContact O-N 2.96Å; T254-H256 VanDerWaalsContact C-N 3.28Å; T254-H256 PolarHBondContact O-N 3.03Å; H256-K259 PolarHBondContact O-N 3.1Å; H256-F260 WeakPolarHBondContact O-CB 3.38Å; H256-F260 PolarHBondContact O-N 3.1Å; H256-Y280 WeakPolarHBondContact CA-OH 3.35Å; H256-Y280 HydrophobicContact CB-CE2 4.32Å; H256-Y280 PolarHBondContact ND1-OH 3.38Å; H256-F289 HydrophobicContact CB-CE2 4.49Å; H256-F289 HydrophobicContact CB-CZ 3.88Å; H256-F289 AromaticContact CG-CZ 3.69Å; H256-F289 AromaticContact ND1-CE1 3.9Å; H256-F289 AromaticContact ND1-CZ 3.57Å; H256-L293 HydrophobicContact CB-CD2 4.29Å; H256-L293 PolarHBondContact NE2-O 3.47Å; H256-N297 PolarHBondContact CD2-OD1 2.93Å; H256-N297 PolarHBondContact CE1-ND2 2.95Å; H256-N297 VanDerWaalsContact NE2-CG 3.35Å; H256-N297 PolarHBondContact NE2-OD1 3.43Å; H256-N297 VanDerWaalsContact NE2-OD1 3.17Å
257R96.8Very high96.3Very high13 Ų1318 Ų185%0.0498%0.077CC..Hα-helixtrans-65.4-44.1174.3-178.956.856.5143.84.2111.7H33 F35 Q38 M133 V253 T254 K259 F260 L261H33-R257 PolarHBondContact O-NH1 3.21Å; H33-R257 PolarHBondContact O-NH2 2.96Å; F35-R257 HydrophobicContact CD2-CB 3.95Å; F35-R257 HydrophobicContact CD2-CG 4.11Å; F35-R257 HydrophobicContact CE2-CB 4.24Å; Q38-R257 VanDerWaalsContact CD-NH2 3.31Å; Q38-R257 VanDerWaalsContact NE2-NH2 3.1Å; M133-R257 HydrophobicContact CE-CB 3.65Å; M133-R257 HydrophobicContact CE-CG 3.28Å; V253-R257 WeakPolarHBondContact O-CB 3.32Å; V253-R257 PolarHBondContact O-N 3.33Å; T254-R257 PolarHBondContact O-N 3.13Å; R257-K259 VanDerWaalsContact C-N 3.31Å; R257-K259 PolarHBondContact O-N 3.12Å; R257-F260 VanDerWaalsContact O-CB 3.28Å; R257-F260 WeakPolarHBondContact O-CB 3.49Å; R257-F260 PolarHBondContact O-N 3.16Å; R257-F260 VanDerWaalsContact O-N 3.16Å; R257-L261 HydrophobicContact CG-CD1 4.08Å; R257-L261 HydrophobicContact CG-CG 4.41Å; R257-L261 VanDerWaalsContact O-CG 3.27Å; R257-L261 WeakPolarHBondContact O-CG 3.31Å; R257-L261 PolarHBondContact O-N 3.36Å
258L96.4Very high96.2Very high0 Ų018.3 Ų18.30%08%0.078CC..Hα-helixtrans-64.4-37.2178.4-69.1176.2000111.7M133 L212 L216 T254 L255 L261 G262 F263 W268M133-L258 HydrophobicContact CE-CD2 4.32Å; M133-L258 HydrophobicContact CE-CG 4.47Å; L212-L258 HydrophobicContact CD1-CD1 3.92Å; L212-L258 HydrophobicContact CD2-CD1 3.98Å; L212-L258 HydrophobicContact CD2-CD2 3.65Å; L212-L258 HydrophobicContact CD2-CG 4.49Å; L212-L258 HydrophobicContact CG-CD1 4.48Å; L216-L258 HydrophobicContact CD1-CD1 4.46Å; T254-L258 HydrophobicContact CG2-CD1 3.84Å; T254-L258 HydrophobicContact CG2-CG 4.29Å; T254-L258 WeakPolarHBondContact O-CB 3.42Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 3.33Å; L255-L258 PolarHBondContact O-N 3.4Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-G262 PolarHBondContact O-N 3.29Å; L258-F263 HydrophobicContact CB-CB 4.16Å; L258-F263 HydrophobicContact CD2-CB 4.39Å; L258-F263 HydrophobicContact CD2-CD2 3.74Å; L258-F263 HydrophobicContact CD2-CE2 4.48Å; L258-F263 HydrophobicContact CD2-CG 4.41Å; L258-F263 WeakPolarHBondContact O-CB 3.38Å; L258-F263 PolarHBondContact O-N 3.45Å; L258-W268 HydrophobicContact CB-CH2 3.76Å; L258-W268 HydrophobicContact CB-CZ3 3.77Å; L258-W268 HydrophobicContact CD1-CZ3 4.17Å
259K95.8Very high96Very high72 Ų7218.6 Ų18.631%0.3138%0.081SC..Hα-helixtrans-62.6-44.4171.8179.7164.5179.1172.70111.5M151 L255 H256 R257 L261 G262 A264 W268 Y280M151-K259 HydrophobicContact CE-CD 4.4Å; M151-K259 HydrophobicContact CE-CG 3.8Å; L255-K259 WeakPolarHBondContact O-CB 3.39Å; L255-K259 PolarHBondContact O-N 3.39Å; H256-K259 PolarHBondContact O-N 3.1Å; R257-K259 VanDerWaalsContact C-N 3.31Å; R257-K259 PolarHBondContact O-N 3.12Å; K259-L261 VanDerWaalsContact C-N 3.28Å; K259-L261 PolarHBondContact O-N 3.4Å; K259-G262 PolarHBondContact O-N 3.03Å; K259-G262 VanDerWaalsContact O-N 3.16Å; K259-A264 HydrophobicContact CB-CB 4.16Å; K259-A264 HydrophobicContact CG-CB 4.14Å; K259-W268 HydrophobicContact CB-CH2 4.26Å; K259-W268 HydrophobicContact CB-CZ2 4.09Å; K259-Y280 HydrophobicContact CB-CE1 4.49Å; K259-Y280 HydrophobicContact CD-CE1 3.63Å
260F93.7Very high95.6Very high13 Ų1324.5 Ų24.56%0.05711%0.113CC..Hα-helixtrans-57.9-41.2175.8176.1-103.5000112.7M151 I152 H256 R257 G262 N297 I299M151-F260 HydrophobicContact CB-CD2 3.91Å; M151-F260 HydrophobicContact CB-CE2 4.26Å; M151-F260 WeakPolarHBondContact CB-O 3.31Å; M151-F260 PolarHBondContact N-O 2.86Å; I152-F260 HydrophobicContact CD1-CE1 3.95Å; I152-F260 HydrophobicContact CG1-CD1 4.36Å; I152-F260 HydrophobicContact CG1-CE1 3.64Å; I152-F260 HydrophobicContact CG1-CZ 3.8Å; H256-F260 WeakPolarHBondContact O-CB 3.38Å; H256-F260 PolarHBondContact O-N 3.1Å; R257-F260 VanDerWaalsContact O-CB 3.28Å; R257-F260 WeakPolarHBondContact O-CB 3.49Å; R257-F260 PolarHBondContact O-N 3.16Å; R257-F260 VanDerWaalsContact O-N 3.16Å; F260-G262 VanDerWaalsContact C-N 3.26Å; F260-G262 PolarHBondContact O-N 3.02Å; F260-N297 WeakPolarHBondContact CB-OD1 3.46Å; F260-N297 HydrophobicContact CD2-CB 4.35Å; F260-N297 WeakPolarHBondContact CD2-OD1 3.43Å; F260-I299 HydrophobicContact CE2-CD1 3.34Å; F260-I299 HydrophobicContact CE2-CG1 3.49Å; F260-I299 VanDerWaalsContact CE2-CG1 3.49Å; F260-I299 HydrophobicContact CZ-CD1 3.32Å; F260-I299 HydrophobicContact CZ-CG1 3.93Å
261L93.1Very high95.4Very high0 Ų026.8 Ų26.80%014%0.137CC..THydrogen-bonded Turntrans-76.5-6.6179.5-64.1177.2000114T137 C140 T147 I152 R257 L258 K259 F263T137-L261 HydrophobicContact CG2-CD2 4.36Å; C140-L261 HydrophobicContact CB-CD2 4.26Å; T147-L261 VanDerWaalsContact CB-O 3.28Å; T147-L261 WeakPolarHBondContact CB-O 3.35Å; T147-L261 WeakPolarHBondContact CG2-O 3.49Å; I152-L261 HydrophobicContact CD1-CD2 3.81Å; R257-L261 HydrophobicContact CG-CD1 4.08Å; R257-L261 HydrophobicContact CG-CG 4.41Å; R257-L261 VanDerWaalsContact O-CG 3.27Å; R257-L261 WeakPolarHBondContact O-CG 3.31Å; R257-L261 PolarHBondContact O-N 3.36Å; L258-L261 PolarHBondContact O-N 3.16Å; K259-L261 VanDerWaalsContact C-N 3.28Å; K259-L261 PolarHBondContact O-N 3.4Å; L261-F263 HydrophobicContact CB-CD2 3.68Å; L261-F263 HydrophobicContact CB-CE2 3.82Å; L261-F263 HydrophobicContact CD1-CD2 4.36Å; L261-F263 HydrophobicContact CD1-CE2 4.13Å
262G94.3Very high95.3Very high5 Ų531.3 Ų31.35%0.05216%0.157CC..THydrogen-bonded Turntrans83.630-178.200000114.2V148 L258 K259 F260V148-G262 PolarHBondContact N-O 3.26Å; V148-G262 CarbonylContact O-C 3.52Å; V148-G262 VanDerWaalsContact O-C 3.23Å; V148-G262 WeakPolarHBondContact O-CA 3.46Å; L258-G262 PolarHBondContact O-N 3.29Å; K259-G262 PolarHBondContact O-N 3.03Å; K259-G262 VanDerWaalsContact O-N 3.16Å; F260-G262 VanDerWaalsContact C-N 3.26Å; F260-G262 PolarHBondContact O-N 3.02Å
263F95.3Very high95.2Very high1 Ų131.5 Ų31.50%0.00416%0.157CC..  trans-100.1-11.8175.1-68.3-58.9000113.8C140 T147 L209 L258 L261 R265 R266 N267C140-F263 WeakPolarHBondContact SG-CE2 3.35Å; C140-F263 WeakPolarHBondContact SG-CZ 3.38Å; T147-F263 HydrophobicContact CG2-CE1 4.04Å; T147-F263 HydrophobicContact CG2-CE2 4.39Å; T147-F263 HydrophobicContact CG2-CZ 3.84Å; L209-F263 HydrophobicContact CD1-CE1 4.29Å; L209-F263 HydrophobicContact CD1-CZ 4.28Å; L209-F263 HydrophobicContact CD2-CE1 3.86Å; L209-F263 HydrophobicContact CD2-CE2 4.14Å; L209-F263 HydrophobicContact CD2-CZ 3.6Å; L258-F263 HydrophobicContact CB-CB 4.16Å; L258-F263 HydrophobicContact CD2-CB 4.39Å; L258-F263 HydrophobicContact CD2-CD2 3.74Å; L258-F263 HydrophobicContact CD2-CE2 4.48Å; L258-F263 HydrophobicContact CD2-CG 4.41Å; L258-F263 WeakPolarHBondContact O-CB 3.38Å; L258-F263 PolarHBondContact O-N 3.45Å; L261-F263 HydrophobicContact CB-CD2 3.68Å; L261-F263 HydrophobicContact CB-CE2 3.82Å; L261-F263 HydrophobicContact CD1-CD2 4.36Å; L261-F263 HydrophobicContact CD1-CE2 4.13Å; F263-R265 PolarHBondContact O-N 3.37Å; F263-R266 PolarHBondContact O-N 3.44Å; F263-R266 VanDerWaalsContact O-N 3.16Å; F263-N267 WeakPolarHBondContact O-CB 3.42Å; F263-N267 PolarHBondContact O-N 3.04Å; F263-N267 PolarHBondContact O-OD1 3.5Å
264A94.8Very high95.2Very high20 Ų2034.5 Ų34.517%0.16518%0.177CC..Hα-helixtrans-53.3-50.4-174.400000113.2K259 R266 N267 W268 G269K259-A264 HydrophobicContact CB-CB 4.16Å; K259-A264 HydrophobicContact CG-CB 4.14Å; A264-R266 VanDerWaalsContact C-N 3.32Å; A264-R266 PolarHBondContact O-N 3.05Å; A264-N267 PolarHBondContact O-N 3.37Å; A264-W268 VanDerWaalsContact CA-CZ2 3.5Å; A264-W268 HydrophobicContact CB-CD2 4.47Å; A264-W268 HydrophobicContact CB-CH2 3.83Å; A264-W268 HydrophobicContact CB-CZ2 3.33Å; A264-W268 PolarHBondContact O-N 2.99Å; A264-G269 PolarHBondContact O-N 3.24Å
265R92.5Very high95.1Very high137 Ų13736.1 Ų36.152%0.51719%0.186SC..Hα-helixtrans-64.7-34.2-177.4-170.8174.5-175.7-165.8-3.5113.2F263 N270F263-R265 PolarHBondContact O-N 3.37Å; R265-N270 VanDerWaalsContact CG-ND2 3.3Å; R265-N270 WeakPolarHBondContact CG-ND2 3.49Å; R265-N270 PolarHBondContact O-ND2 3.1Å
266R91.6Very high95.1Very high101 Ų10136.1 Ų36.138%0.38119%0.186SC..Hα-helixtrans-79.6-34.3178.2175.7-179.5169.3174.6-2.2112.2E213 F263 A264 K272E213-R266 IonicContact OE1-CZ 3.77Å; E213-R266 IonicContact OE1-NE 3.68Å; E213-R266 PolarHBondContact OE1-NE 3.47Å; E213-R266 IonicContact OE1-NH2 3.53Å; E213-R266 PolarHBondContact OE1-NH2 2.99Å; F263-R266 PolarHBondContact O-N 3.44Å; F263-R266 VanDerWaalsContact O-N 3.16Å; A264-R266 VanDerWaalsContact C-N 3.32Å; A264-R266 PolarHBondContact O-N 3.05Å; R266-K272 WeakPolarHBondContact O-CD 3.47Å; R266-K272 PolarHBondContact O-NZ 3.22Å
267N94.6Very high95.1Very high3 Ų338.8 Ų38.82%0.01620%0.198CC..Hα-helixtrans-96.7-35-167.2-71.942.5000113L212 L216 F263 A264 R273L212-N267 WeakPolarHBondContact CD2-ND2 3.36Å; L216-N267 HydrophobicContact CD1-CB 3.69Å; L216-N267 VanDerWaalsContact CD1-ND2 3.34Å; L216-N267 WeakPolarHBondContact CD1-ND2 3.39Å; F263-N267 WeakPolarHBondContact O-CB 3.42Å; F263-N267 PolarHBondContact O-N 3.04Å; F263-N267 PolarHBondContact O-OD1 3.5Å; A264-N267 PolarHBondContact O-N 3.37Å; N267-R273 WeakPolarHBondContact O-CD 3.31Å; N267-R273 PolarHBondContact O-NH1 2.8Å
268W96.5Very high95.1Very high7 Ų741 Ų413%0.02721%0.213CC..THydrogen-bonded Turntrans-141.1-19.8177.560.386.7000114.7L255 L258 K259 A264 R273 L276 Y280L255-W268 HydrophobicContact CB-CH2 4.39Å; L255-W268 HydrophobicContact CD2-CD2 4.45Å; L255-W268 HydrophobicContact CD2-CE3 3.91Å; L255-W268 HydrophobicContact CD2-CH2 4.14Å; L255-W268 HydrophobicContact CD2-CZ3 3.76Å; L255-W268 WeakPolarHBondContact O-CH2 3.31Å; L258-W268 HydrophobicContact CB-CH2 3.76Å; L258-W268 HydrophobicContact CB-CZ3 3.77Å; L258-W268 HydrophobicContact CD1-CZ3 4.17Å; K259-W268 HydrophobicContact CB-CH2 4.26Å; K259-W268 HydrophobicContact CB-CZ2 4.09Å; A264-W268 VanDerWaalsContact CA-CZ2 3.5Å; A264-W268 HydrophobicContact CB-CD2 4.47Å; A264-W268 HydrophobicContact CB-CH2 3.83Å; A264-W268 HydrophobicContact CB-CZ2 3.33Å; A264-W268 PolarHBondContact O-N 2.99Å; W268-R273 HydrophobicContact CB-CB 3.93Å; W268-R273 PolarHBondContact O-N 3.41Å; W268-L276 HydrophobicContact CB-CB 4.38Å; W268-L276 HydrophobicContact CB-CD2 3.94Å; W268-L276 HydrophobicContact CB-CG 4.22Å; W268-Y280 HydrophobicContact CZ2-CD1 4.33Å; W268-Y280 HydrophobicContact CZ2-CE1 4.4Å
269G92.8Very high95.2Very high6 Ų641.2 Ų41.26%0.06221%0.214CC..THydrogen-bonded Turntrans-69.4177.6176.400000114.3A264 G271 K272A264-G269 PolarHBondContact O-N 3.24Å; G269-G271 PolarHBondContact O-N 3.17Å; G269-K272 WeakPolarHBondContact O-CB 3.21Å; G269-K272 PolarHBondContact O-N 3.43Å
270N91.9Very high95.3Very high125 Ų12538.1 Ų38.167%0.66820%0.2SC*.THydrogen-bonded Turntrans53.729.7-175.3-49.6-47.7000113.5R265 K272R265-N270 VanDerWaalsContact CG-ND2 3.3Å; R265-N270 WeakPolarHBondContact CG-ND2 3.49Å; R265-N270 PolarHBondContact O-ND2 3.1Å; N270-K272 VanDerWaalsContact C-N 3.32Å; N270-K272 PolarHBondContact O-N 3.37Å
271G93.5Very high95.4Very high51 Ų5142.1 Ų42.153%0.52622%0.219SC..THydrogen-bonded Turntrans76.111.2179.800000115.3G269G269-G271 PolarHBondContact O-N 3.17Å
272K95.8Very high95.6Very high96 Ų9644.5 Ų44.542%0.41723%0.228SC..THydrogen-bonded Turntrans-67.3-42.8-179.6-172.2179.1176.9172.30112.7E213 R266 G269 N270E213-K272 IonicContact OE1-NZ 3.45Å; E213-K272 IonicContact OE2-NZ 3.25Å; E213-K272 PolarHBondContact OE2-NZ 3.17Å; R266-K272 WeakPolarHBondContact O-CD 3.47Å; R266-K272 PolarHBondContact O-NZ 3.22Å; G269-K272 WeakPolarHBondContact O-CB 3.21Å; G269-K272 PolarHBondContact O-N 3.43Å; N270-K272 VanDerWaalsContact C-N 3.32Å; N270-K272 PolarHBondContact O-N 3.37Å
273R97.9Very high95.8Very high3 Ų344.3 Ų44.31%0.01123%0.226CC..SBendtrans-138.675.6179.5-63.8-174.4-177.8103.3-0.4109.2E213 D217 E220 N267 W268 N275 L276 E277E213-R273 PolarHBondContact O-NH2 3.42Å; D217-R273 IonicContact OD1-CZ 2.73Å; D217-R273 IonicContact OD1-NE 2.73Å; D217-R273 PolarHBondContact OD1-NE 3Å; D217-R273 IonicContact OD1-NH2 2.78Å; D217-R273 PolarHBondContact OD1-NH2 2.88Å; D217-R273 IonicContact OD2-NH2 3.2Å; D217-R273 PolarHBondContact OD2-NH2 3.22Å; E220-R273 HydrophobicContact CB-CB 4.31Å; E220-R273 HydrophobicContact CB-CG 4.21Å; E220-R273 HydrophobicContact CG-CB 4.07Å; E220-R273 HydrophobicContact CG-CG 4.14Å; E220-R273 WeakPolarHBondContact OE2-CB 3.42Å; N267-R273 WeakPolarHBondContact O-CD 3.31Å; N267-R273 PolarHBondContact O-NH1 2.8Å; W268-R273 HydrophobicContact CB-CB 3.93Å; W268-R273 PolarHBondContact O-N 3.41Å; R273-N275 PolarHBondContact O-N 3.11Å; R273-L276 HydrophobicContact CB-CB 3.92Å; R273-L276 HydrophobicContact CB-CD2 4.28Å; R273-L276 PolarHBondContact O-N 3.16Å; R273-E277 PolarHBondContact O-N 2.93Å
274P97.3Very high95.9Very high63 Ų6346.9 Ų46.941%0.40924%0.24SC..Hα-helixtrans-66.7-31.5-169.926.2-35.3000113.7E220 E277 T278E220-P274 VanDerWaalsContact OE1-CD 3.28Å; E220-P274 WeakPolarHBondContact OE1-CD 3.23Å; P274-E277 PolarHBondContact O-N 3.03Å; P274-T278 WeakPolarHBondContact O-CB 3.45Å; P274-T278 PolarHBondContact O-N 3.25Å; P274-T278 PolarHBondContact O-OG1 3.32Å
275N97.1Very high95.9Very high35 Ų3553.8 Ų53.819%0.18727%0.266CS..Hα-helixtrans-70.1-40.7177.6-61.5-78.8000110.5E220 L223 N227 R273 T278 Y279E220-N275 WeakPolarHBondContact OE1-CB 3.35Å; E220-N275 PolarHBondContact OE1-N 3.43Å; E220-N275 PolarHBondContact OE1-ND2 3.08Å; E220-N275 WeakPolarHBondContact OE2-CB 2.77Å; E220-N275 PolarHBondContact OE2-N 2.88Å; L223-N275 HydrophobicContact CB-CB 3.82Å; N227-N275 PolarHBondContact ND2-OD1 3.37Å; R273-N275 PolarHBondContact O-N 3.11Å; N275-T278 PolarHBondContact O-N 3.04Å; N275-Y279 VanDerWaalsContact O-CB 3.23Å; N275-Y279 WeakPolarHBondContact O-CB 3.19Å; N275-Y279 PolarHBondContact O-N 2.87Å
276L98.3Very high96.1Very high0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-63.9-41.3174.1-174.261.9000112.3L216 V219 E220 L223 L251 L255 W268 R273 Y279 Y280L216-L276 HydrophobicContact CB-CD2 4.27Å; L216-L276 HydrophobicContact CD1-CD2 4.5Å; L216-L276 HydrophobicContact CD2-CD2 3.96Å; L216-L276 HydrophobicContact CG-CD2 4.46Å; V219-L276 HydrophobicContact CG1-CD1 3.72Å; E220-L276 VanDerWaalsContact OE2-CB 3.24Å; E220-L276 WeakPolarHBondContact OE2-CB 3.5Å; E220-L276 PolarHBondContact OE2-N 3.08Å; L223-L276 HydrophobicContact CD1-CB 4.21Å; L223-L276 HydrophobicContact CD1-CD1 3.93Å; L251-L276 HydrophobicContact CD1-CD1 4.25Å; L251-L276 HydrophobicContact CD2-CD1 4.25Å; L255-L276 HydrophobicContact CD1-CD1 3.6Å; L255-L276 HydrophobicContact CD1-CG 4.27Å; L255-L276 HydrophobicContact CD2-CD1 4Å; L255-L276 HydrophobicContact CD2-CD2 4.05Å; L255-L276 HydrophobicContact CD2-CG 4.15Å; L255-L276 HydrophobicContact CG-CD1 4.38Å; W268-L276 HydrophobicContact CB-CB 4.38Å; W268-L276 HydrophobicContact CB-CD2 3.94Å; W268-L276 HydrophobicContact CB-CG 4.22Å; R273-L276 HydrophobicContact CB-CB 3.92Å; R273-L276 HydrophobicContact CB-CD2 4.28Å; R273-L276 PolarHBondContact O-N 3.16Å; L276-Y279 PolarHBondContact O-N 2.88Å; L276-Y280 WeakPolarHBondContact O-CB 3.39Å; L276-Y280 PolarHBondContact O-N 3.5Å
277E97.8Very high96.4Very high63 Ų6354.1 Ų54.129%0.29427%0.272SS..Hα-helixtrans-61.4-50.5174.7-173.6159.5-139.300111R273 P274 Y279 Y280 E281R273-E277 PolarHBondContact O-N 2.93Å; P274-E277 PolarHBondContact O-N 3.03Å; E277-Y279 PolarHBondContact O-N 3.33Å; E277-Y280 PolarHBondContact O-N 2.9Å; E277-Y280 VanDerWaalsContact O-N 3.14Å; E277-E281 WeakPolarHBondContact O-CG 3.33Å; E277-E281 PolarHBondContact O-N 3.34Å
278T96.5Very high96.5Very high61 Ų6155.6 Ų55.637%0.37428%0.281SS..Hα-helixtrans-60.1-43.4177.1-57.90000112P274 N275 Y280 E281 R282P274-T278 WeakPolarHBondContact O-CB 3.45Å; P274-T278 PolarHBondContact O-N 3.25Å; P274-T278 PolarHBondContact O-OG1 3.32Å; N275-T278 PolarHBondContact O-N 3.04Å; T278-Y280 VanDerWaalsContact C-N 3.34Å; T278-Y280 PolarHBondContact O-N 3.49Å; T278-E281 PolarHBondContact O-N 3.49Å; T278-R282 PolarHBondContact O-N 3.47Å; T278-R282 VanDerWaalsContact O-N 3.15Å
279Y98Very high96.5Very high3 Ų355.2 Ų55.21%0.01228%0.28CS..Hα-helixtrans-56.9-48.5173.9171.5-86.4000111L223 W238 L239 D248 L251 L255 N275 L276 E277 E281 R282 V283L223-Y279 HydrophobicContact CD1-CD2 4.39Å; L223-Y279 HydrophobicContact CD1-CG 4.09Å; L223-Y279 HydrophobicContact CD2-CD2 3.61Å; L223-Y279 HydrophobicContact CD2-CE2 4.21Å; L223-Y279 HydrophobicContact CD2-CG 4.15Å; W238-Y279 HydrophobicContact CE3-CD2 4.27Å; W238-Y279 AromaticContact CE3-CE2 3.66Å; W238-Y279 HydrophobicContact CE3-CE2 3.66Å; W238-Y279 HydrophobicContact CZ3-CE2 4.23Å; L239-Y279 HydrophobicContact CB-CE2 4.44Å; D248-Y279 VanDerWaalsContact CA-OH 3.32Å; D248-Y279 WeakPolarHBondContact CA-OH 3.4Å; D248-Y279 VanDerWaalsContact CB-OH 3.24Å; D248-Y279 WeakPolarHBondContact CB-OH 3.39Å; D248-Y279 WeakPolarHBondContact OD1-CE2 3.28Å; D248-Y279 PolarHBondContact OD1-OH 3Å; L251-Y279 HydrophobicContact CB-CE1 4.37Å; L251-Y279 HydrophobicContact CD2-CD1 3.94Å; L251-Y279 HydrophobicContact CD2-CE1 3.43Å; L251-Y279 VanDerWaalsContact CD2-CE1 3.43Å; L251-Y279 HydrophobicContact CD2-CE2 4.36Å; L251-Y279 HydrophobicContact CG-CD1 4.45Å; L251-Y279 HydrophobicContact CG-CE1 3.76Å; L255-Y279 HydrophobicContact CD1-CD1 4.04Å; L255-Y279 HydrophobicContact CD1-CE1 4.22Å; N275-Y279 VanDerWaalsContact O-CB 3.23Å; N275-Y279 WeakPolarHBondContact O-CB 3.19Å; N275-Y279 PolarHBondContact O-N 2.87Å; L276-Y279 PolarHBondContact O-N 2.88Å; E277-Y279 PolarHBondContact O-N 3.33Å; Y279-E281 PolarHBondContact O-N 3.38Å; Y279-R282 WeakPolarHBondContact O-CB 3.49Å; Y279-R282 PolarHBondContact O-N 2.93Å; Y279-R282 VanDerWaalsContact O-N 3.11Å; Y279-V283 HydrophobicContact CD1-CG2 4.01Å; Y279-V283 HydrophobicContact CE1-CG2 3.48Å; Y279-V283 VanDerWaalsContact CE1-CG2 3.48Å; Y279-V283 PolarHBondContact O-N 2.88Å
280Y98.1Very high96.7Very high7 Ų759 Ų593%0.02730%0.299CS..Hα-helixtrans-65.8-38.2-178.1-175.7-122.3000112.3L255 H256 K259 W268 L276 E277 T278 R282 V283 L284L255-Y280 HydrophobicContact CB-CD2 3.58Å; L255-Y280 HydrophobicContact CB-CE2 3.81Å; L255-Y280 HydrophobicContact CB-CG 4.18Å; L255-Y280 HydrophobicContact CD1-CD2 3.98Å; L255-Y280 HydrophobicContact CD1-CG 4.22Å; L255-Y280 HydrophobicContact CG-CD2 4.45Å; H256-Y280 WeakPolarHBondContact CA-OH 3.35Å; H256-Y280 HydrophobicContact CB-CE2 4.32Å; H256-Y280 PolarHBondContact ND1-OH 3.38Å; K259-Y280 HydrophobicContact CB-CE1 4.49Å; K259-Y280 HydrophobicContact CD-CE1 3.63Å; W268-Y280 HydrophobicContact CZ2-CD1 4.33Å; W268-Y280 HydrophobicContact CZ2-CE1 4.4Å; L276-Y280 WeakPolarHBondContact O-CB 3.39Å; L276-Y280 PolarHBondContact O-N 3.5Å; E277-Y280 PolarHBondContact O-N 2.9Å; E277-Y280 VanDerWaalsContact O-N 3.14Å; T278-Y280 VanDerWaalsContact C-N 3.34Å; T278-Y280 PolarHBondContact O-N 3.49Å; Y280-R282 PolarHBondContact O-N 3.25Å; Y280-V283 HydrophobicContact CD2-CB 4.42Å; Y280-V283 WeakPolarHBondContact O-CB 3.49Å; Y280-V283 PolarHBondContact O-N 2.68Å; Y280-V283 VanDerWaalsContact O-N 3.16Å; Y280-L284 HydrophobicContact CD1-CD1 4.29Å; Y280-L284 HydrophobicContact CE1-CD1 3.9Å; Y280-L284 HydrophobicContact CE1-CD2 4.33Å; Y280-L284 HydrophobicContact CE1-CG 4.21Å; Y280-L284 HydrophobicContact CE2-CD2 4.12Å; Y280-L284 HydrophobicContact CE2-CG 4.33Å; Y280-L284 WeakPolarHBondContact O-CG 3.39Å; Y280-L284 PolarHBondContact O-N 3.32Å
281E96.8Very high96.8Very high98 Ų9861.3 Ų61.346%0.45830%0.303SS..Hα-helixtrans-59.6-36.1172.6-70.8-174.8171.700112.8E277 T278 Y279 K285E277-E281 WeakPolarHBondContact O-CG 3.33Å; E277-E281 PolarHBondContact O-N 3.34Å; T278-E281 PolarHBondContact O-N 3.49Å; Y279-E281 PolarHBondContact O-N 3.38Å; E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 2.99Å
282R96.6Very high96.9Very high50 Ų5059.5 Ų59.519%0.18928%0.282CS..Hα-helixtrans-68.7-41.9173.4-71.7173.754.2-147-3.2112.1Q236 P237 W238 T278 Y279 Y280 L284 K285 R286Q236-R282 VanDerWaalsContact CB-NH1 3.29Å; Q236-R282 PolarHBondContact O-NH1 2.91Å; Q236-R282 PolarHBondContact O-NH2 3.38Å; P237-R282 PolarHBondContact O-NH1 3.27Å; W238-R282 HydrophobicContact CH2-CB 4.27Å; W238-R282 HydrophobicContact CZ3-CB 4.4Å; T278-R282 PolarHBondContact O-N 3.47Å; T278-R282 VanDerWaalsContact O-N 3.15Å; Y279-R282 WeakPolarHBondContact O-CB 3.49Å; Y279-R282 PolarHBondContact O-N 2.93Å; Y279-R282 VanDerWaalsContact O-N 3.11Å; Y280-R282 PolarHBondContact O-N 3.25Å; R282-L284 VanDerWaalsContact C-N 3.28Å; R282-L284 PolarHBondContact O-N 3.38Å; R282-K285 PolarHBondContact O-N 3.42Å; R282-K285 VanDerWaalsContact O-N 3.09Å; R282-R286 PolarHBondContact O-N 2.95Å
283V97.8Very high96.9Very high0 Ų054.9 Ų54.90%026%0.262CS..Hα-helixtrans-55.4-45.4174167.80000110.8W238 A252 Y279 Y280 K285 R286 F289W238-V283 HydrophobicContact CZ3-CG2 4.09Å; A252-V283 HydrophobicContact CB-CG1 3.51Å; A252-V283 HydrophobicContact CB-CG2 4.17Å; Y279-V283 HydrophobicContact CD1-CG2 4.01Å; Y279-V283 HydrophobicContact CE1-CG2 3.48Å; Y279-V283 VanDerWaalsContact CE1-CG2 3.48Å; Y279-V283 PolarHBondContact O-N 2.88Å; Y280-V283 HydrophobicContact CD2-CB 4.42Å; Y280-V283 WeakPolarHBondContact O-CB 3.49Å; Y280-V283 PolarHBondContact O-N 2.68Å; Y280-V283 VanDerWaalsContact O-N 3.16Å; V283-K285 PolarHBondContact O-N 2.94Å; V283-K285 VanDerWaalsContact O-N 3.15Å; V283-R286 WeakPolarHBondContact O-CB 3.18Å; V283-R286 PolarHBondContact O-N 3.41Å; V283-F289 HydrophobicContact CG1-CD1 4.19Å; V283-F289 HydrophobicContact CG1-CD2 3.48Å; V283-F289 VanDerWaalsContact CG1-CD2 3.48Å; V283-F289 HydrophobicContact CG1-CE1 4.31Å; V283-F289 HydrophobicContact CG1-CE2 3.59Å; V283-F289 HydrophobicContact CG1-CG 3.79Å; V283-F289 HydrophobicContact CG1-CZ 4.01Å
284L96.9Very high96.6Very high56 Ų5656.3 Ų56.329%0.29328%0.277SS..Hα-helixtrans-60.7-25.2179.3-67.8178.8000113.7Y280 R282 F289Y280-L284 HydrophobicContact CD1-CD1 4.29Å; Y280-L284 HydrophobicContact CE1-CD1 3.9Å; Y280-L284 HydrophobicContact CE1-CD2 4.33Å; Y280-L284 HydrophobicContact CE1-CG 4.21Å; Y280-L284 HydrophobicContact CE2-CD2 4.12Å; Y280-L284 HydrophobicContact CE2-CG 4.33Å; Y280-L284 WeakPolarHBondContact O-CG 3.39Å; Y280-L284 PolarHBondContact O-N 3.32Å; R282-L284 VanDerWaalsContact C-N 3.28Å; R282-L284 PolarHBondContact O-N 3.38Å; L284-F289 HydrophobicContact CD2-CD1 4.38Å; L284-F289 HydrophobicContact CD2-CE1 3.68Å; L284-F289 HydrophobicContact CD2-CZ 4.39Å
285K96.5Very high96.2Very high164 Ų16459 Ų5971%0.71328%0.284SS*.Hα-helixtrans-85.7-11.4177.7-65169.5-172.7171.40113.1E281 R282 V283 K287E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 2.99Å; R282-K285 PolarHBondContact O-N 3.42Å; R282-K285 VanDerWaalsContact O-N 3.09Å; V283-K285 PolarHBondContact O-N 2.94Å; V283-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 PolarHBondContact O-N 3.48Å
286R95.9Very high95.8Very high56 Ų5657.6 Ų57.621%0.21128%0.276CS..  trans-66.8131.7177.2-65.7-174.969.383.61.5110.4E46 W238 R282 V283 T288 F289 N290E46-R286 IonicContact OE1-CZ 2.77Å; E46-R286 IonicContact OE1-NE 3.22Å; E46-R286 PolarHBondContact OE1-NE 3.3Å; E46-R286 IonicContact OE1-NH2 3.92Å; E46-R286 PolarHBondContact OE1-NH2 3.47Å; E46-R286 IonicContact OE2-CZ 3.74Å; E46-R286 IonicContact OE2-NE 2.59Å; E46-R286 IonicContact OE2-NH2 2.94Å; E46-R286 PolarHBondContact OE2-NH2 2.99Å; W238-R286 HydrophobicContact CH2-CG 4.01Å; R282-R286 PolarHBondContact O-N 2.95Å; V283-R286 WeakPolarHBondContact O-CB 3.18Å; V283-R286 PolarHBondContact O-N 3.41Å; R286-T288 PolarHBondContact O-N 3.24Å; R286-F289 HydrophobicContact CB-CB 3.87Å; R286-F289 PolarHBondContact O-N 3Å; R286-N290 WeakPolarHBondContact O-CB 3.32Å; R286-N290 PolarHBondContact O-N 3.48Å
287K96.9Very high95.3Very high189 Ų18958.9 Ų58.982%0.82228%0.283SS*.Hα-helixtrans-60.4-47.4-176.5-66.5-178.9-179.81770112.6K285 N290 K291K285-K287 PolarHBondContact O-N 3.48Å; K287-N290 PolarHBondContact O-N 2.91Å; K287-K291 WeakPolarHBondContact O-CB 3.36Å; K287-K291 PolarHBondContact O-N 3Å
288T96.7Very high94.8Very high34 Ų3459.3 Ų59.321%0.20929%0.288CS..Hα-helixtrans-60-48.7176.640.10000111.7A45 E46 R286 K291 V292A45-T288 HydrophobicContact CB-CG2 4.48Å; E46-T288 WeakPolarHBondContact OE1-CB 3.32Å; E46-T288 PolarHBondContact OE1-OG1 3.4Å; E46-T288 PolarHBondContact OE2-OG1 3.36Å; R286-T288 PolarHBondContact O-N 3.24Å; T288-K291 PolarHBondContact O-N 2.89Å; T288-V292 WeakPolarHBondContact O-CG2 3.48Å; T288-V292 PolarHBondContact O-N 3.42Å; T288-V292 VanDerWaalsContact O-N 3.09Å
289F97.8Very high94.1Very high0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-59.2-49.4175.6-174-85.2000111.5L42 A252 H256 V283 L284 R286 K291 V292 L293 G294L42-F289 HydrophobicContact CD1-CB 4.32Å; L42-F289 HydrophobicContact CD1-CD2 4.35Å; L42-F289 HydrophobicContact CD2-CD2 3.96Å; L42-F289 HydrophobicContact CD2-CE2 4.48Å; A252-F289 HydrophobicContact CB-CD2 4.16Å; A252-F289 HydrophobicContact CB-CE2 3.95Å; H256-F289 HydrophobicContact CB-CE2 4.49Å; H256-F289 HydrophobicContact CB-CZ 3.88Å; H256-F289 AromaticContact CG-CZ 3.69Å; H256-F289 AromaticContact ND1-CE1 3.9Å; H256-F289 AromaticContact ND1-CZ 3.57Å; V283-F289 HydrophobicContact CG1-CD1 4.19Å; V283-F289 HydrophobicContact CG1-CD2 3.48Å; V283-F289 VanDerWaalsContact CG1-CD2 3.48Å; V283-F289 HydrophobicContact CG1-CE1 4.31Å; V283-F289 HydrophobicContact CG1-CE2 3.59Å; V283-F289 HydrophobicContact CG1-CG 3.79Å; V283-F289 HydrophobicContact CG1-CZ 4.01Å; L284-F289 HydrophobicContact CD2-CD1 4.38Å; L284-F289 HydrophobicContact CD2-CE1 3.68Å; L284-F289 HydrophobicContact CD2-CZ 4.39Å; R286-F289 HydrophobicContact CB-CB 3.87Å; R286-F289 PolarHBondContact O-N 3Å; F289-K291 VanDerWaalsContact C-N 3.33Å; F289-K291 PolarHBondContact O-N 3.46Å; F289-V292 PolarHBondContact O-N 2.95Å; F289-L293 HydrophobicContact CD1-CB 4.37Å; F289-L293 HydrophobicContact CD2-CD1 4.03Å; F289-L293 HydrophobicContact CE1-CB 3.9Å; F289-L293 HydrophobicContact CE2-CB 4.16Å; F289-L293 HydrophobicContact CE2-CD1 3.99Å; F289-L293 HydrophobicContact CE2-CD2 3.97Å; F289-L293 HydrophobicContact CE2-CG 4.28Å; F289-L293 HydrophobicContact CZ-CB 3.79Å; F289-L293 HydrophobicContact CZ-CD1 4.49Å; F289-L293 HydrophobicContact CZ-CD2 4.05Å; F289-L293 HydrophobicContact CZ-CG 4.34Å; F289-L293 PolarHBondContact O-N 3.13Å; F289-G294 PolarHBondContact O-N 2.81Å
290N96.1Very high93.2Very high86 Ų8662.2 Ų62.246%0.4630%0.3SS..Hα-helixtrans-60.9-42.5179.1-173.4-89.2000111.9R286 K287 V292 G294R286-N290 WeakPolarHBondContact O-CB 3.32Å; R286-N290 PolarHBondContact O-N 3.48Å; K287-N290 PolarHBondContact O-N 2.91Å; N290-V292 VanDerWaalsContact C-N 3.31Å; N290-V292 PolarHBondContact O-N 3.37Å; N290-G294 WeakPolarHBondContact O-CA 3.31Å; N290-G294 PolarHBondContact O-N 3.34Å
291K95.1Very high92.4Very high173 Ų17366 Ų6675%0.75232%0.32SS*.Hα-helixtrans-58.2-41.4176.3-176.5-174.3176.8-171.30112.4K287 T288 F289K287-K291 WeakPolarHBondContact O-CB 3.36Å; K287-K291 PolarHBondContact O-N 3Å; T288-K291 PolarHBondContact O-N 2.89Å; F289-K291 VanDerWaalsContact C-N 3.33Å; F289-K291 PolarHBondContact O-N 3.46Å
292V95.8Very high91.7Very high12 Ų1262.2 Ų62.27%0.07330%0.304CS..Hα-helixtrans-90.9-43.1-172.9175.80000112.7R41 A45 T288 F289 N290R41-V292 HydrophobicContact CB-CG1 3.53Å; R41-V292 PolarHBondContact NH1-O 3.4Å; A45-V292 HydrophobicContact CB-CG2 3.52Å; T288-V292 WeakPolarHBondContact O-CG2 3.48Å; T288-V292 PolarHBondContact O-N 3.42Å; T288-V292 VanDerWaalsContact O-N 3.09Å; F289-V292 PolarHBondContact O-N 2.95Å; N290-V292 VanDerWaalsContact C-N 3.31Å; N290-V292 PolarHBondContact O-N 3.37Å
293L95.6Very high91.1Very high0 Ų060.5 Ų60.50%030%0.301CS..Hα-helixtrans-115.3-11.4-171.7-68.396.5000114.4Q38 L42 V253 H256 F289 H295 V296Q38-L293 HydrophobicContact CB-CD2 4.02Å; Q38-L293 HydrophobicContact CG-CD2 4.16Å; Q38-L293 HydrophobicContact CG-CG 4.47Å; L42-L293 HydrophobicContact CB-CD1 4.16Å; L42-L293 HydrophobicContact CD1-CD1 4.2Å; L42-L293 HydrophobicContact CD2-CD1 4.25Å; L42-L293 HydrophobicContact CG-CD1 4.45Å; V253-L293 HydrophobicContact CG1-CD2 4.3Å; V253-L293 HydrophobicContact CG2-CD2 4.14Å; H256-L293 HydrophobicContact CB-CD2 4.29Å; H256-L293 PolarHBondContact NE2-O 3.47Å; F289-L293 HydrophobicContact CD1-CB 4.37Å; F289-L293 HydrophobicContact CD2-CD1 4.03Å; F289-L293 HydrophobicContact CE1-CB 3.9Å; F289-L293 HydrophobicContact CE2-CB 4.16Å; F289-L293 HydrophobicContact CE2-CD1 3.99Å; F289-L293 HydrophobicContact CE2-CD2 3.97Å; F289-L293 HydrophobicContact CE2-CG 4.28Å; F289-L293 HydrophobicContact CZ-CB 3.79Å; F289-L293 HydrophobicContact CZ-CD1 4.49Å; F289-L293 HydrophobicContact CZ-CD2 4.05Å; F289-L293 HydrophobicContact CZ-CG 4.34Å; F289-L293 PolarHBondContact O-N 3.13Å; L293-H295 PolarHBondContact O-N 3.44Å; L293-V296 HydrophobicContact CB-CG2 4.32Å; L293-V296 WeakPolarHBondContact O-CB 3.33Å; L293-V296 PolarHBondContact O-N 3.38Å
294G91.4Very high90.3Very high32 Ų3262.9 Ų62.933%0.3332%0.315SS..THydrogen-bonded Turntrans-57.1-27.3-170.600000115.2F289 N290F289-G294 PolarHBondContact O-N 2.81Å; N290-G294 WeakPolarHBondContact O-CA 3.31Å; N290-G294 PolarHBondContact O-N 3.34Å
295H88.8Confident89.7Confident121 Ų12165 Ų6556%0.5633%0.326SS*.THydrogen-bonded Turntrans-104.8-5.8177.8-59.5-59.6000114.3L293 N297 N298 S302L293-H295 PolarHBondContact O-N 3.44Å; H295-N297 VanDerWaalsContact C-N 3.29Å; H295-N297 PolarHBondContact O-N 3.02Å; H295-N298 PolarHBondContact O-N 3.49Å; H295-S302 VanDerWaalsContact O-CB 3.31Å; H295-S302 WeakPolarHBondContact O-CB 3.4Å; H295-S302 PolarHBondContact O-OG 2.64Å
296V88.1Confident89.2Confident4 Ų459.6 Ų59.62%0.02431%0.308CS..THydrogen-bonded Turntrans-55.3-47.5-175.2164.80000110.5T32 H33 L293 N298 S302T32-V296 HydrophobicContact CG2-CG2 3.99Å; H33-V296 PolarHBondContact CE1-O 2.78Å; L293-V296 HydrophobicContact CB-CG2 4.32Å; L293-V296 WeakPolarHBondContact O-CB 3.33Å; L293-V296 PolarHBondContact O-N 3.38Å; V296-N298 PolarHBondContact O-N 2.93Å; V296-N298 VanDerWaalsContact O-N 3.1Å; V296-S302 PolarHBondContact O-OG 3.4Å
297N88.9Confident88.7Confident27 Ų2758.2 Ų58.214%0.14431%0.306CS..THydrogen-bonded Turntrans-69.6-8.7-177.7-73.75000114.6M151 H256 F260 H295 I299M151-N297 HydrophobicContact SD-CB 3.67Å; H256-N297 PolarHBondContact CD2-OD1 2.93Å; H256-N297 PolarHBondContact CE1-ND2 2.95Å; H256-N297 VanDerWaalsContact NE2-CG 3.35Å; H256-N297 PolarHBondContact NE2-OD1 3.43Å; H256-N297 VanDerWaalsContact NE2-OD1 3.17Å; F260-N297 WeakPolarHBondContact CB-OD1 3.46Å; F260-N297 HydrophobicContact CD2-CB 4.35Å; F260-N297 WeakPolarHBondContact CD2-OD1 3.43Å; H295-N297 VanDerWaalsContact C-N 3.29Å; H295-N297 PolarHBondContact O-N 3.02Å; N297-I299 PolarHBondContact O-N 3.42Å
298N86.8Confident88.1Confident73 Ų7351.9 Ų51.939%0.3929%0.289SS..  trans-93.181.2169.8-170.9-26.5000110.4H295 V296 L300 I301 S302H295-N298 PolarHBondContact O-N 3.49Å; V296-N298 PolarHBondContact O-N 2.93Å; V296-N298 VanDerWaalsContact O-N 3.1Å; N298-L300 PolarHBondContact O-N 3.42Å; N298-L300 VanDerWaalsContact O-N 3.09Å; N298-I301 VanDerWaalsContact ND2-CD1 3.35Å; N298-I301 WeakPolarHBondContact ND2-CD1 3.49Å; N298-I301 PolarHBondContact O-N 3.2Å; N298-I301 PolarHBondContact OD1-N 3.43Å; N298-S302 PolarHBondContact O-N 2.8Å; N298-S302 PolarHBondContact O-OG 3.21Å
299I82.3Confident87.6Confident25 Ų2555 Ų5513%0.12830%0.3CS..Hα-helixtrans-54-35-173.8-56.2-166.2000112.8M151 P153 F260 N297 I301 A303 V304M151-I299 WeakPolarHBondContact O-CD1 3.4Å; P153-I299 HydrophobicContact CG-CD1 4.49Å; F260-I299 HydrophobicContact CE2-CD1 3.34Å; F260-I299 HydrophobicContact CE2-CG1 3.49Å; F260-I299 VanDerWaalsContact CE2-CG1 3.49Å; F260-I299 HydrophobicContact CZ-CD1 3.32Å; F260-I299 HydrophobicContact CZ-CG1 3.93Å; N297-I299 PolarHBondContact O-N 3.42Å; I299-I301 VanDerWaalsContact C-N 3.32Å; I299-I301 PolarHBondContact O-N 3.32Å; I299-A303 HydrophobicContact CG2-CB 3.93Å; I299-A303 WeakPolarHBondContact O-CA 3.35Å; I299-A303 PolarHBondContact O-N 3.06Å; I299-V304 HydrophobicContact CG2-CG2 4.1Å; I299-V304 PolarHBondContact O-N 3.17Å
300L78.6Confident87.2Confident100 Ų10057.9 Ų57.952%0.52431%0.31SS..Iπ-helixtrans-57.1-49.2178.6179.663.8000110.7N298 V304 L305N298-L300 PolarHBondContact O-N 3.42Å; N298-L300 VanDerWaalsContact O-N 3.09Å; L300-V304 HydrophobicContact CD1-CB 4.26Å; L300-V304 HydrophobicContact CD1-CG1 4.27Å; L300-L305 WeakPolarHBondContact O-CB 3.33Å; L300-L305 VanDerWaalsContact O-CG 3.31Å; L300-L305 WeakPolarHBondContact O-CG 3.42Å; L300-L305 PolarHBondContact O-N 2.9Å
301I81.9Confident86.8Confident86 Ų8655.9 Ų55.944%0.44130%0.302SS..Iπ-helixtrans-78.7-41.7-177.7-59.6180000111.2N298 I299 P306N298-I301 VanDerWaalsContact ND2-CD1 3.35Å; N298-I301 WeakPolarHBondContact ND2-CD1 3.49Å; N298-I301 PolarHBondContact O-N 3.2Å; N298-I301 PolarHBondContact OD1-N 3.43Å; I299-I301 VanDerWaalsContact C-N 3.32Å; I299-I301 PolarHBondContact O-N 3.32Å; I301-P306 WeakPolarHBondContact O-CD 3.38Å; I301-P306 WeakPolarHBondContact O-CG 3.41Å
302S82.3Confident86.3Confident18 Ų1849.4 Ų49.413%0.12628%0.28CS..Iπ-helixtrans-89.8-18.4-168.961.60000114.5H33 H295 V296 N298H33-S302 PolarHBondContact CE1-OG 2.97Å; H33-S302 VanDerWaalsContact NE2-C 3.31Å; H33-S302 VanDerWaalsContact NE2-CB 3.34Å; H33-S302 WeakPolarHBondContact NE2-CB 3.33Å; H33-S302 PolarHBondContact NE2-O 3.28Å; H33-S302 PolarHBondContact NE2-OG 3.16Å; H295-S302 VanDerWaalsContact O-CB 3.31Å; H295-S302 WeakPolarHBondContact O-CB 3.4Å; H295-S302 PolarHBondContact O-OG 2.64Å; V296-S302 PolarHBondContact O-OG 3.4Å; N298-S302 PolarHBondContact O-N 2.8Å; N298-S302 PolarHBondContact O-OG 3.21Å
303A82.1Confident85.8Confident14 Ų1455.5 Ų55.512%0.11631%0.306CS..Iπ-helixtrans-129-52.5178.700000113.5H33 I299 T307H33-A303 WeakPolarHBondContact NE2-CB 3.4Å; I299-A303 HydrophobicContact CG2-CB 3.93Å; I299-A303 WeakPolarHBondContact O-CA 3.35Å; I299-A303 PolarHBondContact O-N 3.06Å; A303-T307 WeakPolarHBondContact O-CB 3.49Å; A303-T307 PolarHBondContact O-N 3.22Å; A303-T307 PolarHBondContact O-OG1 3.07Å
304V82.4Confident85.2Confident51 Ų5161.1 Ų61.131%0.30933%0.33SS..Iπ-helixtrans-67.3-53.1-169.8178.60000111.2Y155 I299 L300 T307 A308Y155-V304 WeakPolarHBondContact OH-CG2 3.47Å; I299-V304 HydrophobicContact CG2-CG2 4.1Å; I299-V304 PolarHBondContact O-N 3.17Å; L300-V304 HydrophobicContact CD1-CB 4.26Å; L300-V304 HydrophobicContact CD1-CG1 4.27Å; V304-T307 PolarHBondContact O-N 3Å; V304-A308 WeakPolarHBondContact O-CB 3.31Å; V304-A308 PolarHBondContact O-N 3.13Å
305L83.9Confident84.6Confident99 Ų9969.5 Ų69.552%0.51835%0.352SS..Hα-helixtrans-61.3-48.2179.4-73.3176.6000112.3L300 T307 A308 F309L300-L305 WeakPolarHBondContact O-CB 3.33Å; L300-L305 VanDerWaalsContact O-CG 3.31Å; L300-L305 WeakPolarHBondContact O-CG 3.42Å; L300-L305 PolarHBondContact O-N 2.9Å; L305-T307 VanDerWaalsContact C-N 3.32Å; L305-T307 PolarHBondContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 2.81Å; L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 PolarHBondContact O-N 3.17Å
306P85.6Confident83.9Confident52 Ų5265.2 Ų65.234%0.33834%0.337SS..Hα-helixtrans-57.1-43174.4-28.334.7000113.2I301 F309 R310I301-P306 WeakPolarHBondContact O-CD 3.38Å; I301-P306 WeakPolarHBondContact O-CG 3.41Å; P306-F309 PolarHBondContact O-N 3.42Å; P306-R310 WeakPolarHBondContact O-CG 3.4Å; P306-R310 PolarHBondContact O-N 2.92Å
307T85.6Confident83Confident27 Ų2768.7 Ų68.717%0.16636%0.36CS..Hα-helixtrans-64.4-46178.4-58.90000111.1P59 L60 A303 V304 L305 F309 R310 V311P59-T307 HydrophobicContact CB-CG2 4.49Å; L60-T307 HydrophobicContact CD1-CG2 4.19Å; L60-T307 HydrophobicContact CD2-CG2 3.72Å; L60-T307 HydrophobicContact CG-CG2 3.88Å; A303-T307 WeakPolarHBondContact O-CB 3.49Å; A303-T307 PolarHBondContact O-N 3.22Å; A303-T307 PolarHBondContact O-OG1 3.07Å; V304-T307 PolarHBondContact O-N 3Å; L305-T307 VanDerWaalsContact C-N 3.32Å; L305-T307 PolarHBondContact O-N 3.09Å; T307-F309 VanDerWaalsContact C-N 3.32Å; T307-F309 PolarHBondContact O-N 2.93Å; T307-R310 PolarHBondContact O-N 2.83Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.01Å
308A84.2Confident81.8Confident55 Ų5577.9 Ų77.946%0.45540%0.399SS..Hα-helixtrans-60.1-43.1176.900000111.6V304 L305 V311 A312V304-A308 WeakPolarHBondContact O-CB 3.31Å; V304-A308 PolarHBondContact O-N 3.13Å; L305-A308 PolarHBondContact O-N 2.81Å; A308-V311 PolarHBondContact O-N 3.37Å; A308-A312 WeakPolarHBondContact O-CB 3.42Å; A308-A312 PolarHBondContact O-N 3.44Å
309F86.6Confident80.3Confident101 Ų10181 Ų8144%0.44342%0.42SS..Hα-helixtrans-63.9-43176-175.1-99.1000112.2L305 P306 T307 V311 A312 K313 L329L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 PolarHBondContact O-N 3.17Å; P306-F309 PolarHBondContact O-N 3.42Å; T307-F309 VanDerWaalsContact C-N 3.32Å; T307-F309 PolarHBondContact O-N 2.93Å; F309-V311 PolarHBondContact O-N 2.94Å; F309-A312 PolarHBondContact O-N 3.02Å; F309-K313 WeakPolarHBondContact O-CB 3.42Å; F309-K313 PolarHBondContact O-N 3.39Å; F309-L329 HydrophobicContact CD2-CD1 4.13Å; F309-L329 HydrophobicContact CE2-CD1 4.34Å
310R89.1Confident78.9Confident59 Ų5982.9 Ų82.922%0.22343%0.43CS..Hα-helixtrans-59.1-46.5174.2-77.7-178-168.6-120.4-6.5111.9D55 L60 E62 P306 T307 K313 K314D55-R310 VanDerWaalsContact CG-NH2 3.33Å; D55-R310 VanDerWaalsContact O-CZ 3.28Å; D55-R310 PolarHBondContact O-NH1 2.87Å; D55-R310 PolarHBondContact O-NH2 3.1Å; D55-R310 IonicContact OD1-CZ 2.83Å; D55-R310 IonicContact OD1-NE 2.87Å; D55-R310 IonicContact OD1-NH2 3.28Å; D55-R310 PolarHBondContact OD1-NH2 3.14Å; L60-R310 HydrophobicContact CD1-CB 3.67Å; L60-R310 HydrophobicContact CD1-CG 4.46Å; E62-R310 IonicContact OE1-NH1 2.83Å; E62-R310 IonicContact OE2-CZ 2.81Å; E62-R310 IonicContact OE2-NH1 3.81Å; E62-R310 PolarHBondContact OE2-NH1 3.34Å; P306-R310 WeakPolarHBondContact O-CG 3.4Å; P306-R310 PolarHBondContact O-N 2.92Å; T307-R310 PolarHBondContact O-N 2.83Å; R310-K313 PolarHBondContact O-N 2.86Å; R310-K314 PolarHBondContact O-N 3.37Å
311V86.8Confident77.7Confident45 Ų4580 Ų8027%0.27343%0.425SS..Hα-helixtrans-63-44.5177.91730000110.9L60 T307 A308 F309 K313 K314 R315L60-V311 HydrophobicContact CD1-CG2 4.18Å; L60-V311 HydrophobicContact CD2-CG2 3.62Å; T307-V311 WeakPolarHBondContact O-CG2 3.48Å; T307-V311 PolarHBondContact O-N 3.01Å; A308-V311 PolarHBondContact O-N 3.37Å; F309-V311 PolarHBondContact O-N 2.94Å; V311-K313 VanDerWaalsContact C-N 3.34Å; V311-K313 PolarHBondContact O-N 2.87Å; V311-K314 PolarHBondContact O-N 2.96Å; V311-R315 HydrophobicContact CG1-CG 4.46Å; V311-R315 WeakPolarHBondContact O-CB 3.39Å; V311-R315 WeakPolarHBondContact O-CG 3.4Å; V311-R315 PolarHBondContact O-N 3.41Å
312A85.8Confident76.5Confident37 Ų3781.1 Ų81.131%0.30644%0.436SS..Hα-helixtrans-60-44.2176.200000111.5A308 F309 R315 A316A308-A312 WeakPolarHBondContact O-CB 3.42Å; A308-A312 PolarHBondContact O-N 3.44Å; F309-A312 PolarHBondContact O-N 3.02Å; A312-R315 PolarHBondContact O-N 2.9Å; A312-A316 WeakPolarHBondContact O-CB 3.44Å; A312-A316 PolarHBondContact O-N 3.48Å
313K85.3Confident75.4Confident140 Ų14086 Ų8661%0.60947%0.465SS*.Hα-helixtrans-64.3-42.6176.5-173179.9177.3-176.10112.4F309 R310 V311 R315 A316F309-K313 WeakPolarHBondContact O-CB 3.42Å; F309-K313 PolarHBondContact O-N 3.39Å; R310-K313 PolarHBondContact O-N 2.86Å; V311-K313 VanDerWaalsContact C-N 3.34Å; V311-K313 PolarHBondContact O-N 2.87Å; K313-R315 VanDerWaalsContact C-N 3.33Å; K313-R315 PolarHBondContact O-N 3.39Å; K313-A316 PolarHBondContact O-N 2.88Å
314K82.5Confident74.4Confident118 Ų11890.2 Ų90.251%0.51349%0.485SS..Hα-helixtrans-65.4-34.3177-76.6-170.6-178.6-177.90112.1E62 E65 R310 V311E62-K314 WeakPolarHBondContact OE1-CE 3.19Å; E62-K314 IonicContact OE1-NZ 2.78Å; E62-K314 PolarHBondContact OE1-NZ 2.96Å; E65-K314 IonicContact OE1-NZ 3.54Å; E65-K314 PolarHBondContact OE1-NZ 2.91Å; R310-K314 PolarHBondContact O-N 3.37Å; V311-K314 PolarHBondContact O-N 2.96Å
315R79.8Confident73.4Confident207 Ų20789.1 Ų89.178%0.78148%0.478SS*.Hα-helixtrans-91.9-8.6-179.2-66.9-176.6180-171.6-0.2114.4V311 A312 K313V311-R315 HydrophobicContact CG1-CG 4.46Å; V311-R315 WeakPolarHBondContact O-CB 3.39Å; V311-R315 WeakPolarHBondContact O-CG 3.4Å; V311-R315 PolarHBondContact O-N 3.41Å; A312-R315 PolarHBondContact O-N 2.9Å; K313-R315 VanDerWaalsContact C-N 3.33Å; K313-R315 PolarHBondContact O-N 3.39Å
316A73.7Confident72.8Confident31 Ų3188.2 Ų88.226%0.25648%0.477SS..SBendtrans-61.9128.7178.500000109.6A312 K313 K318 V325A312-A316 WeakPolarHBondContact O-CB 3.44Å; A312-A316 PolarHBondContact O-N 3.48Å; K313-A316 PolarHBondContact O-N 2.88Å; A316-K318 PolarHBondContact O-N 2.77Å; A316-V325 HydrophobicContact CB-CG2 4.19Å
317P69Low72.2Confident77 Ų7787.9 Ų87.950%0.548%0.482SS..  trans-56.9134173-18.829.4000108.9V319 L320P317-V319 PolarHBondContact O-N 3.2Å; P317-L320 HydrophobicContact CB-CD1 4.09Å; P317-L320 HydrophobicContact CG-CD1 3.87Å; P317-L320 PolarHBondContact O-N 2.83Å
318K62.8Low71.6Confident221 Ų22191.4 Ų91.496%0.96150%0.5SS*.THydrogen-bonded Turntrans-55.3-12179.5-67.5-177178.5179.60114.2A316A316-K318 PolarHBondContact O-N 2.77Å
319V56.3Low71.3Confident137 Ų13793 Ų9383%0.8350%0.5SS*.THydrogen-bonded Turntrans-84.5-24.5178.8-166.10000112.5P317 G321P317-V319 PolarHBondContact O-N 3.2Å; V319-G321 PolarHBondContact O-N 3.44Å
320L52.5Low70.8Confident65 Ų6591.1 Ų91.134%0.3450%0.504SS..SBendtrans-90.499.8174.6-83.6105.4000109.1P317 L324 V325P317-L320 HydrophobicContact CB-CD1 4.09Å; P317-L320 HydrophobicContact CG-CD1 3.87Å; P317-L320 PolarHBondContact O-N 2.83Å; L320-L324 HydrophobicContact CD2-CB 4.3Å; L320-L324 HydrophobicContact CD2-CD2 3.3Å; L320-L324 HydrophobicContact CD2-CG 4.39Å; L320-L324 HydrophobicContact CG-CD2 4.2Å; L320-V325 HydrophobicContact CB-CG2 4.44Å
321G54.4Low70.4Confident41 Ų4190.1 Ų90.142%0.42351%0.512SS..  trans-51.7151.9173.600000112.5V319 T323 L324V319-G321 PolarHBondContact O-N 3.44Å; G321-T323 PolarHBondContact O-N 3.34Å; G321-L324 PolarHBondContact O-N 3.24Å
322T56.2Low70.3Confident108 Ų10892.7 Ų92.766%0.66353%0.527SS*.Hα-helixtrans-51.9-31.3-176.546.10000113.7V326T322-V326 WeakPolarHBondContact O-CG2 3Å; T322-V326 PolarHBondContact O-N 3.2Å
323T58.7Low70.1Confident120 Ų12093 Ų9374%0.73653%0.533SS*.Hα-helixtrans-63.5-37.3175.6270000113.8G321 G327G321-T323 PolarHBondContact O-N 3.34Å; T323-G327 PolarHBondContact O-N 2.88Å
324L60.7Low70.1Confident103 Ų10393.2 Ų93.254%0.53953%0.531SS..Hα-helixtrans-74.7-36.3-177.1-142.3106.7000111.8L320 G321 G327 L328L320-L324 HydrophobicContact CD2-CB 4.3Å; L320-L324 HydrophobicContact CD2-CD2 3.3Å; L320-L324 HydrophobicContact CD2-CG 4.39Å; L320-L324 HydrophobicContact CG-CD2 4.2Å; G321-L324 PolarHBondContact O-N 3.24Å; L324-G327 PolarHBondContact O-N 3.14Å; L324-L328 HydrophobicContact CD2-CD1 4.32Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 WeakPolarHBondContact O-CG 3.26Å; L324-L328 PolarHBondContact O-N 3.46Å
325V62.8Low70Confident29 Ų2994.1 Ų94.118%0.17654%0.535CS..Hα-helixtrans-68-43.8177.1179.20000111A316 L320 G327 L328 L329A316-V325 HydrophobicContact CB-CG2 4.19Å; L320-V325 HydrophobicContact CB-CG2 4.44Å; V325-G327 VanDerWaalsContact C-N 3.34Å; V325-L328 PolarHBondContact O-N 3.1Å; V325-L329 HydrophobicContact CG1-CD1 4.23Å; V325-L329 WeakPolarHBondContact O-CG 3.49Å; V325-L329 PolarHBondContact O-N 3.28Å
326V70Confident69.9Low80 Ų8086.9 Ų86.949%0.48552%0.52SS..Hα-helixtrans-63.8-41.5175.3174.50000110.7T322 L329 A330T322-V326 WeakPolarHBondContact O-CG2 3Å; T322-V326 PolarHBondContact O-N 3.2Å; V326-L329 PolarHBondContact O-N 3.49Å; V326-A330 VanDerWaalsContact O-CB 3.31Å; V326-A330 WeakPolarHBondContact O-CB 3.32Å; V326-A330 PolarHBondContact O-N 3.37Å
327G73.2Confident70.5Confident44 Ų4491.2 Ų91.245%0.45453%0.533SS..Hα-helixtrans-61.3-42.3175.300000113.3T323 L324 V325 G331T323-G327 PolarHBondContact O-N 2.88Å; L324-G327 PolarHBondContact O-N 3.14Å; V325-G327 VanDerWaalsContact C-N 3.34Å; G327-G331 PolarHBondContact O-N 3.11Å
328L73.8Confident70.9Confident101 Ų10191.4 Ų91.453%0.52953%0.528SS..Hα-helixtrans-64.9-44.8175.9-83.7161.7000112.1L324 V325 G331 V332L324-L328 HydrophobicContact CD2-CD1 4.32Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 WeakPolarHBondContact O-CG 3.26Å; L324-L328 PolarHBondContact O-N 3.46Å; V325-L328 PolarHBondContact O-N 3.1Å; L328-G331 PolarHBondContact O-N 2.88Å; L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 3.44Å
329L76.6Confident71.6Confident89 Ų8985.4 Ų85.447%0.46651%0.507SS..Hα-helixtrans-65.7-41.3178-70.8173.2000112F309 V325 V326 G331 V332 G333F309-L329 HydrophobicContact CD2-CD1 4.13Å; F309-L329 HydrophobicContact CE2-CD1 4.34Å; V325-L329 HydrophobicContact CG1-CD1 4.23Å; V325-L329 WeakPolarHBondContact O-CG 3.49Å; V325-L329 PolarHBondContact O-N 3.28Å; V326-L329 PolarHBondContact O-N 3.49Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-V332 PolarHBondContact O-N 3.29Å; L329-G333 PolarHBondContact O-N 3.12Å
330A76.2Confident72.6Confident62 Ų6285.7 Ų85.751%0.51250%0.497SS..Hα-helixtrans-63.4-41173.500000111.6V326 G333 Y334V326-A330 VanDerWaalsContact O-CB 3.31Å; V326-A330 WeakPolarHBondContact O-CB 3.32Å; V326-A330 PolarHBondContact O-N 3.37Å; A330-G333 PolarHBondContact O-N 3.46Å; A330-Y334 WeakPolarHBondContact O-CB 3.3Å; A330-Y334 PolarHBondContact O-N 3.26Å
331G81.3Confident73.9Confident38 Ų3890.4 Ų90.439%0.39251%0.51SS..Hα-helixtrans-62.5-45175.600000112.8G327 L328 L329 Y334 F335G327-G331 PolarHBondContact O-N 3.11Å; L328-G331 PolarHBondContact O-N 2.88Å; L329-G331 VanDerWaalsContact C-N 3.34Å; G331-Y334 PolarHBondContact O-N 3.33Å; G331-F335 WeakPolarHBondContact O-CB 3.35Å; G331-F335 PolarHBondContact O-N 2.86Å
332V84.8Confident74.8Confident99 Ų9996 Ų9660%0.652%0.523SS*.Hα-helixtrans-63.9-43.1175.8172.10000111L328 L329 F335 A336L328-V332 VanDerWaalsContact O-CG2 3.3Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 3.44Å; L329-V332 PolarHBondContact O-N 3.29Å; V332-F335 PolarHBondContact O-N 3.3Å; V332-A336 WeakPolarHBondContact O-CB 3.36Å; V332-A336 PolarHBondContact O-N 3.41Å
333G82.4Confident75.6Confident42 Ų42100 Ų10043%0.43353%0.526SS..Hα-helixtrans-61.6-44.7175.400000112.7L329 A330 A336 F337L329-G333 PolarHBondContact O-N 3.12Å; A330-G333 PolarHBondContact O-N 3.46Å; G333-A336 PolarHBondContact O-N 2.91Å; G333-F337 WeakPolarHBondContact O-CB 3.36Å; G333-F337 PolarHBondContact O-N 2.88Å
334Y83.9Confident76Confident145 Ų14598.1 Ų98.157%0.56951%0.511SS*.Hα-helixtrans-63.3-41.1175.5-179.5-102.9000112A330 G331 F337 M338A330-Y334 WeakPolarHBondContact O-CB 3.3Å; A330-Y334 PolarHBondContact O-N 3.26Å; G331-Y334 PolarHBondContact O-N 3.33Å; Y334-F337 PolarHBondContact O-N 3.39Å; Y334-M338 HydrophobicContact CD1-CG 4.18Å; Y334-M338 HydrophobicContact CE1-CG 3.77Å; Y334-M338 HydrophobicContact CE2-CG 4.29Å; Y334-M338 WeakPolarHBondContact O-CB 3.42Å; Y334-M338 WeakPolarHBondContact O-CG 3.42Å; Y334-M338 PolarHBondContact O-N 3.3Å
335F80.8Confident76.3Confident137 Ų13794.8 Ų94.860%0.60150%0.501SS*.Hα-helixtrans-66.3-41.9178.1-157.5-95.2000111.8G331 V332 M338 L339G331-F335 WeakPolarHBondContact O-CB 3.35Å; G331-F335 PolarHBondContact O-N 2.86Å; V332-F335 PolarHBondContact O-N 3.3Å; F335-M338 PolarHBondContact O-N 2.9Å; F335-L339 HydrophobicContact CD1-CD1 3.74Å; F335-L339 HydrophobicContact CD1-CG 4.1Å; F335-L339 HydrophobicContact CE1-CD1 3.77Å; F335-L339 HydrophobicContact CE1-CD2 4.37Å; F335-L339 HydrophobicContact CE1-CG 4.07Å; F335-L339 WeakPolarHBondContact O-CG 3.45Å; F335-L339 PolarHBondContact O-N 3.34Å
336A78.8Confident76.3Confident55 Ų5597.2 Ų97.246%0.45552%0.519SS..Hα-helixtrans-61.9-43173.600000111.8V332 G333 L339 F340V332-A336 WeakPolarHBondContact O-CB 3.36Å; V332-A336 PolarHBondContact O-N 3.41Å; G333-A336 PolarHBondContact O-N 2.91Å; A336-L339 PolarHBondContact O-N 2.92Å; A336-F340 WeakPolarHBondContact O-CB 3.3Å; A336-F340 PolarHBondContact O-N 3.45Å
337F84.5Confident75.5Confident122 Ų12299.5 Ų99.554%0.53553%0.527SS..Hα-helixtrans-61-44.3173.9175.6-100000112.1G333 Y334 F340 R341G333-F337 WeakPolarHBondContact O-CB 3.36Å; G333-F337 PolarHBondContact O-N 2.88Å; Y334-F337 PolarHBondContact O-N 3.39Å; F337-F340 PolarHBondContact O-N 2.95Å; F337-R341 VanDerWaalsContact O-CB 3.3Å; F337-R341 WeakPolarHBondContact O-CB 3.49Å; F337-R341 PolarHBondContact O-N 2.83Å
338M78.2Confident74.7Confident81 Ų81103.1 Ų103.140%0.39953%0.534SS..Hα-helixtrans-62.4-43.2176.5-80-71-73.400112.2Y334 F335 R341 K342Y334-M338 HydrophobicContact CD1-CG 4.18Å; Y334-M338 HydrophobicContact CE1-CG 3.77Å; Y334-M338 HydrophobicContact CE2-CG 4.29Å; Y334-M338 WeakPolarHBondContact O-CB 3.42Å; Y334-M338 WeakPolarHBondContact O-CG 3.42Å; Y334-M338 PolarHBondContact O-N 3.3Å; F335-M338 PolarHBondContact O-N 2.9Å; M338-R341 PolarHBondContact O-N 2.87Å; M338-K342 WeakPolarHBondContact O-CB 3.32Å; M338-K342 PolarHBondContact O-N 3.45Å
339L78.2Confident73.8Confident96 Ų96104.9 Ų104.950%0.50354%0.543SS..Hα-helixtrans-63.3-42.6175.1-73.6174.5000111.7F335 A336 K342 R343F335-L339 HydrophobicContact CD1-CD1 3.74Å; F335-L339 HydrophobicContact CD1-CG 4.1Å; F335-L339 HydrophobicContact CE1-CD1 3.77Å; F335-L339 HydrophobicContact CE1-CD2 4.37Å; F335-L339 HydrophobicContact CE1-CG 4.07Å; F335-L339 WeakPolarHBondContact O-CG 3.45Å; F335-L339 PolarHBondContact O-N 3.34Å; A336-L339 PolarHBondContact O-N 2.92Å; L339-K342 PolarHBondContact O-N 2.97Å; L339-R343 PolarHBondContact O-N 3.37Å
340F76.9Confident72.7Confident142 Ų142104.5 Ų104.562%0.62355%0.553SS**Hα-helixtrans-63.7-45.9177.3-163.7-101.3000111.4A336 F337 K342 R343 L344A336-F340 WeakPolarHBondContact O-CB 3.3Å; A336-F340 PolarHBondContact O-N 3.45Å; F337-F340 PolarHBondContact O-N 2.95Å; F340-K342 PolarHBondContact O-N 2.96Å; F340-R343 WeakPolarHBondContact O-CB 3.36Å; F340-R343 PolarHBondContact O-N 3.36Å; F340-L344 HydrophobicContact CD1-CD1 3.53Å; F340-L344 HydrophobicContact CE1-CD1 3.32Å; F340-L344 HydrophobicContact CG-CD1 4.48Å; F340-L344 HydrophobicContact CZ-CD1 4.12Å; F340-L344 PolarHBondContact O-N 3.27Å
341R79.9Confident71.6Confident164 Ų164110.2 Ų110.262%0.61957%0.567SS**Hα-helixtrans-61.8-40.1175.1-176.1180143.5164.4-4.5112.2F337 M338 L344 G345F337-R341 VanDerWaalsContact O-CB 3.3Å; F337-R341 WeakPolarHBondContact O-CB 3.49Å; F337-R341 PolarHBondContact O-N 2.83Å; M338-R341 PolarHBondContact O-N 2.87Å; R341-L344 PolarHBondContact O-N 3.25Å; R341-G345 PolarHBondContact O-N 3.03Å
342K73.1Confident70Confident160 Ų160118.5 Ų118.570%0.69659%0.586SS**Hα-helixtrans-65.7-41.7177-153.1176.5-173.1-1780111M338 L339 F340 G345 S346M338-K342 WeakPolarHBondContact O-CB 3.32Å; M338-K342 PolarHBondContact O-N 3.45Å; L339-K342 PolarHBondContact O-N 2.97Å; F340-K342 PolarHBondContact O-N 2.96Å; K342-G345 PolarHBondContact O-N 3.01Å; K342-S346 PolarHBondContact O-N 2.93Å; K342-S346 PolarHBondContact O-OG 3.34Å
343R72.2Confident68.3Low190 Ų190119.5 Ų119.572%0.71760%0.595SS**Hα-helixtrans-61.1-43.1173.7-112.1-179176.1172.2-0.7112.8L339 F340 S346 M347L339-R343 PolarHBondContact O-N 3.37Å; F340-R343 WeakPolarHBondContact O-CB 3.36Å; F340-R343 PolarHBondContact O-N 3.36Å; R343-S346 PolarHBondContact O-N 3.38Å; R343-M347 PolarHBondContact O-N 3.46Å; R343-M347 VanDerWaalsContact O-N 3.11Å
344L68.4Low66.9Low81 Ų81128.5 Ų128.542%0.42462%0.616SS.*Hα-helixtrans-64-43174.9-99.6140.6000112.2F340 R341 S346 M347 I348F340-L344 HydrophobicContact CD1-CD1 3.53Å; F340-L344 HydrophobicContact CE1-CD1 3.32Å; F340-L344 HydrophobicContact CG-CD1 4.48Å; F340-L344 HydrophobicContact CZ-CD1 4.12Å; F340-L344 PolarHBondContact O-N 3.27Å; R341-L344 PolarHBondContact O-N 3.25Å; L344-S346 VanDerWaalsContact C-N 3.32Å; L344-S346 PolarHBondContact O-N 3.42Å; L344-M347 PolarHBondContact O-N 3.07Å; L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.4Å
345G67Low65.1Low33 Ų33126.6 Ų126.634%0.3462%0.621SS.*Hα-helixtrans-61.7-37.7175.100000113.1R341 K342 I348 L349R341-G345 PolarHBondContact O-N 3.03Å; K342-G345 PolarHBondContact O-N 3.01Å; G345-I348 PolarHBondContact O-N 3.11Å; G345-L349 PolarHBondContact O-N 3.31Å; G345-L349 VanDerWaalsContact O-N 3.14Å
346S62.3Low63.3Low80 Ų80127.7 Ų127.756%0.55963%0.634SS**Hα-helixtrans-68-35.8175-57.70000113.1K342 R343 L344 A350K342-S346 PolarHBondContact O-N 2.93Å; K342-S346 PolarHBondContact O-OG 3.34Å; R343-S346 PolarHBondContact O-N 3.38Å; L344-S346 VanDerWaalsContact C-N 3.32Å; L344-S346 PolarHBondContact O-N 3.42Å; S346-A350 PolarHBondContact O-N 3.14Å
347M54Low61.7Low129 Ų129134.5 Ų134.564%0.63565%0.649SS**Hα-helixtrans-67.9-39.2173.8-81.4-174.1-155.100112.5R343 L344 L349 A350R343-M347 PolarHBondContact O-N 3.46Å; R343-M347 VanDerWaalsContact O-N 3.11Å; L344-M347 PolarHBondContact O-N 3.07Å; M347-L349 VanDerWaalsContact C-N 3.34Å; M347-L349 PolarHBondContact O-N 3.22Å; M347-A350 PolarHBondContact O-N 3.5Å
348I56.1Low59.8Low120 Ų120141.8 Ų141.862%0.61568%0.681SS**Hα-helixtrans-68.9-33.8179.6-66.3167.5000111.1L344 G345 A350 F351L344-I348 WeakPolarHBondContact O-CG1 3.37Å; L344-I348 PolarHBondContact O-N 3.4Å; G345-I348 PolarHBondContact O-N 3.11Å; I348-A350 VanDerWaalsContact C-N 3.32Å; I348-A350 PolarHBondContact O-N 3.49Å; I348-F351 PolarHBondContact O-N 3.4Å
349L53.5Low58.8Low137 Ų137144.8 Ų144.872%0.71770%0.695SS**Hα-helixtrans-69.8-26.4173.4-109.693.3000113.6G345 M347 F351G345-L349 PolarHBondContact O-N 3.31Å; G345-L349 VanDerWaalsContact O-N 3.14Å; M347-L349 VanDerWaalsContact C-N 3.34Å; M347-L349 PolarHBondContact O-N 3.22Å; L349-F351 VanDerWaalsContact C-N 3.25Å; L349-F351 PolarHBondContact O-N 3.43Å
350A54.8Low57.8Low82 Ų82147.4 Ų147.468%0.67871%0.705SS**Hα-helixtrans-74.6-13.6177.600000113.4S346 M347 I348S346-A350 PolarHBondContact O-N 3.14Å; M347-A350 PolarHBondContact O-N 3.5Å; I348-A350 VanDerWaalsContact C-N 3.32Å; I348-A350 PolarHBondContact O-N 3.49Å
351F53Low56.8Low182 Ų182147.7 Ų147.780%0.79871%0.709SS**THydrogen-bonded Turntrans-103.69.2-178.2-93.8-82.3000114.7I348 L349 P353I348-F351 PolarHBondContact O-N 3.4Å; L349-F351 VanDerWaalsContact C-N 3.25Å; L349-F351 PolarHBondContact O-N 3.43Å; F351-P353 WeakPolarHBondContact O-CD 3.45Å
352R46.9Very low55.4Low212 Ų212146.7 Ų146.780%0.872%0.715SS**PPolyproline II helixtrans-72.5122170.4-93.9-173.2174.4177.5-1.4109.9R354R352-R354 PolarHBondContact O-N 3.48Å
353P49.8Very low54.3Low120 Ų120145.9 Ų145.978%0.77972%0.716SS**PPolyproline II helixtrans-64.7136.6173.74.25.4000109.4F351F351-P353 WeakPolarHBondContact O-CD 3.45Å
354R53.6Low53.1Low230 Ų230142.9 Ų142.987%0.86872%0.716SS**PPolyproline II helixtrans-63.4139.4169.1-73.3-176.7177.1172.2-0.5108.9R352 N356R352-R354 PolarHBondContact O-N 3.48Å; R354-N356 PolarHBondContact O-N 3.33Å
355P44.9Very low52Low106 Ų106147.4 Ų147.469%0.68874%0.737SS**PPolyproline II helixtrans-67.5124.9173.127-30.2000109.2Y357P355-Y357 PolarHBondContact O-N 3.38Å
356N43.4Very low50.8Low160 Ų160156.2 Ų156.286%0.85677%0.767SS**PPolyproline II helixtrans-65.9123.1169.4-81.4-9.3000108.6R354R354-N356 PolarHBondContact O-N 3.33Å
357Y44.7Very low49.9Very low198 Ų198162.5 Ų162.578%0.77678%0.784SS**PPolyproline II helixtrans-100.3128.1160.3-83-86.6000108P355P355-Y357 PolarHBondContact O-N 3.38Å
358F44Very low49.5Very low274 Ų274165.5 Ų165.5100%1.20280%0.798SS**  trans81.90179-60.4-77.3000117.1

Retrieved 358 of 358 residues in 252 ms (Link to these results)

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