A0A077Z0Q8_TRITR Loading...

Telomere Sde2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Q8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M52.5Low84.6Confident236 Ų23697.7 Ų97.7100%1.16348%0.48SS*.  0118.40-73.3-175.8-175.800107.3
2K73.7Confident85.1Confident152 Ų15294.3 Ų94.366%0.66147%0.47SS*.PPolyproline II helixtrans-78.5120.2170.7-74.1-172.2172.8-171.40107.3D36K2-D36 VanDerWaalsContact CE-OD1 3.26Å; K2-D36 WeakPolarHBondContact CE-OD1 3.48Å; K2-D36 IonicContact NZ-OD1 2.78Å; K2-D36 PolarHBondContact NZ-OD1 2.97Å
3I83.2Confident85.4Confident49 Ų4995.1 Ų95.125%0.25147%0.469SS..PPolyproline II helixtrans-81.3122.3172.9-63.5169.4000105.8E7 L8 Y37 V39I3-E7 HydrophobicContact CG2-CB 3.92Å; I3-L8 HydrophobicContact CG2-CB 4.23Å; I3-Y37 PolarHBondContact O-OH 3.48Å; I3-V39 HydrophobicContact CB-CG2 4.48Å; I3-V39 HydrophobicContact CD1-CB 3.89Å; I3-V39 HydrophobicContact CD1-CG1 3.77Å; I3-V39 HydrophobicContact CD1-CG2 4.21Å
4P88.7Confident85.6Confident61 Ų6198.2 Ų98.240%0.39648%0.482SS..PPolyproline II helixtrans-59.9144.5179.625.5-33.3000110.7K6 E7 L8P4-K6 PolarHBondContact O-N 3.38Å; P4-K6 VanDerWaalsContact O-N 3.13Å; P4-E7 WeakPolarHBondContact CD-OE2 3.48Å; P4-E7 HydrophobicContact CG-CB 4.01Å; P4-E7 HydrophobicContact CG-CG 3.71Å; P4-E7 WeakPolarHBondContact CG-OE1 3.24Å; P4-E7 PolarHBondContact O-N 3.47Å; P4-L8 PolarHBondContact O-N 2.84Å
5L89.6Confident85.8Confident21 Ų21101.7 Ų101.711%0.1149%0.488CS..Hα-helixtrans-56.8-35.8-171.5-176.962.4000112.5E7 L8 L9 L31 E33 Y37L5-E7 VanDerWaalsContact C-N 3.33Å; L5-E7 PolarHBondContact O-N 3.25Å; L5-L8 HydrophobicContact CD1-CD2 4.27Å; L5-L8 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CD1-CG 4.44Å; L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.42Å; L5-L31 HydrophobicContact CD1-CB 3.89Å; L5-L31 HydrophobicContact CD1-CD1 4.43Å; L5-L31 VanDerWaalsContact CD2-O 3.23Å; L5-L31 WeakPolarHBondContact CD2-O 3.34Å; L5-E33 HydrophobicContact CB-CG 4.05Å; L5-E33 HydrophobicContact CD2-CG 4.25Å; L5-Y37 WeakPolarHBondContact CA-OH 3.4Å; L5-Y37 PolarHBondContact N-OH 3.28Å
6K89.6Confident86.2Confident162 Ų16296.3 Ų96.370%0.70446%0.463SS*.Hα-helixtrans-60.6-39.5176.5-61179-173.9174.40112.9P4P4-K6 PolarHBondContact O-N 3.38Å; P4-K6 VanDerWaalsContact O-N 3.13Å
7E90.3Very high86.5Confident118 Ų11892.5 Ų92.555%0.55145%0.449SS*.Hα-helixtrans-75-38.8176.3-71.1175.4-163.500111.1I3 P4 L5 L9 L10I3-E7 HydrophobicContact CG2-CB 3.92Å; P4-E7 WeakPolarHBondContact CD-OE2 3.48Å; P4-E7 HydrophobicContact CG-CB 4.01Å; P4-E7 HydrophobicContact CG-CG 3.71Å; P4-E7 WeakPolarHBondContact CG-OE1 3.24Å; P4-E7 PolarHBondContact O-N 3.47Å; L5-E7 VanDerWaalsContact C-N 3.33Å; L5-E7 PolarHBondContact O-N 3.25Å; E7-L9 VanDerWaalsContact C-N 3.3Å; E7-L9 PolarHBondContact O-N 3.21Å; E7-L10 WeakPolarHBondContact O-CB 3.3Å; E7-L10 PolarHBondContact O-N 3.25Å; E7-L10 VanDerWaalsContact O-N 3.09Å
8L90.2Very high86.9Confident0 Ų087.3 Ų87.30%042%0.424CS..Hα-helixtrans-59-42.1178.5178.462.4000112I3 P4 L5 L10 I11 V16 V18 W28 L31 Y37 V39I3-L8 HydrophobicContact CG2-CB 4.23Å; P4-L8 PolarHBondContact O-N 2.84Å; L5-L8 HydrophobicContact CD1-CD2 4.27Å; L5-L8 PolarHBondContact O-N 3.46Å; L8-L10 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 3.41Å; L8-V16 HydrophobicContact CD1-CG1 4.36Å; L8-V18 HydrophobicContact CD1-CG2 3.82Å; L8-V18 HydrophobicContact CD2-CG1 4.32Å; L8-V18 HydrophobicContact CD2-CG2 3.83Å; L8-V18 HydrophobicContact CG-CG2 4.27Å; L8-W28 HydrophobicContact CD1-CZ3 4.39Å; L8-W28 HydrophobicContact CG-CE3 4.43Å; L8-W28 WeakPolarHBondContact O-CZ3 3.35Å; L8-L31 HydrophobicContact CD2-CD1 4.36Å; L8-Y37 HydrophobicContact CD2-CD2 4.14Å; L8-Y37 HydrophobicContact CD2-CE2 3.64Å; L8-V39 HydrophobicContact CD1-CG1 3.85Å; L8-V39 HydrophobicContact CD1-CG2 3.97Å; L8-V39 HydrophobicContact CD2-CG2 4.26Å
9L90.4Very high87.2Confident70 Ų7087 Ų8737%0.36642%0.417SS..THydrogen-bonded Turntrans-67.4-18.1178.9-69.4171.3000113.5L5 E7 W28L5-L9 HydrophobicContact CD1-CG 4.44Å; L5-L9 HydrophobicContact CG-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.42Å; E7-L9 VanDerWaalsContact C-N 3.3Å; E7-L9 PolarHBondContact O-N 3.21Å; L9-W28 HydrophobicContact CD2-CB 3.89Å
10L92Very high87.5Confident155 Ų15584.7 Ų84.781%0.81241%0.407SS*.THydrogen-bonded Turntrans-81.9-18.3176.4-150.976.9000112.6E7 L8E7-L10 WeakPolarHBondContact O-CB 3.3Å; E7-L10 PolarHBondContact O-N 3.25Å; E7-L10 VanDerWaalsContact O-N 3.09Å; L8-L10 PolarHBondContact O-N 3.14Å
11I90.5Very high87.6Confident51 Ų5187.4 Ų87.426%0.26242%0.424SS..SBendtrans-84.5134.4-175.7-59169.7000110.2L8 K13 W15 V16 W28L8-I11 PolarHBondContact O-N 3.41Å; I11-K13 PolarHBondContact O-N 3.49Å; I11-W15 HydrophobicContact CG2-CB 4.35Å; I11-V16 HydrophobicContact CG2-CB 4.29Å; I11-V16 HydrophobicContact CG2-CG2 3.72Å; I11-W28 VanDerWaalsContact O-CZ3 3.32Å; I11-W28 WeakPolarHBondContact O-CZ3 3.26Å
12P90.1Very high89.3Confident56 Ų5679.3 Ų79.336%0.36440%0.401SS..  trans-57.8131.4174.1-25.634.4000113Q14 W15P12-Q14 HydrophobicContact CB-CG 4.46Å; P12-Q14 PolarHBondContact O-N 3.23Å; P12-W15 HydrophobicContact CB-CG 4.45Å; P12-W15 HydrophobicContact CG-CD2 4.38Å; P12-W15 PolarHBondContact O-N 3.15Å
13K89.2Confident90.2Very high105 Ų10579.8 Ų79.846%0.45740%0.403SS..THydrogen-bonded Turntrans-53.8-17.2176.3-64-167.9176.7-171.20115.1I11 V16 T26 W28 R42I11-K13 PolarHBondContact O-N 3.49Å; K13-V16 VanDerWaalsContact O-O 3.14Å; K13-T26 PolarHBondContact NZ-O 3.16Å; K13-W28 VanDerWaalsContact CA-CH2 3.45Å; K13-W28 HydrophobicContact CB-CH2 4.07Å; K13-W28 HydrophobicContact CB-CZ2 4.03Å; K13-W28 HydrophobicContact CG-CD2 4.18Å; K13-W28 HydrophobicContact CG-CE3 4.12Å; K13-W28 HydrophobicContact CG-CH2 3.79Å; K13-W28 HydrophobicContact CG-CZ2 3.78Å; K13-W28 HydrophobicContact CG-CZ3 3.94Å; K13-R42 PolarHBondContact O-NH1 3.49Å
14Q87.9Confident90.6Very high139 Ų13982.9 Ų82.965%0.6542%0.419SS*.THydrogen-bonded Turntrans-73.8-30.7179.3-39.5-179.523.400112.2P12 R42P12-Q14 HydrophobicContact CB-CG 4.46Å; P12-Q14 PolarHBondContact O-N 3.23Å; Q14-R42 WeakPolarHBondContact O-CB 3.26Å; Q14-R42 VanDerWaalsContact O-CD 3.28Å; Q14-R42 WeakPolarHBondContact O-CD 3.4Å; Q14-R42 PolarHBondContact O-NE 3.39Å
15W89.6Confident90.8Very high151 Ų15181.1 Ų81.157%0.57241%0.407SS*.THydrogen-bonded Turntrans-94.6-16.7-170.6-67.13.2000113.2I11 P12 A41 R42I11-W15 HydrophobicContact CG2-CB 4.35Å; P12-W15 HydrophobicContact CB-CG 4.45Å; P12-W15 HydrophobicContact CG-CD2 4.38Å; P12-W15 PolarHBondContact O-N 3.15Å; W15-A41 CarbonylContact O-C 3.55Å; W15-A41 WeakPolarHBondContact O-CA 3.35Å; W15-R42 PolarHBondContact O-N 3.43Å
16V91.9Very high90.9Very high15 Ų1585.7 Ų85.79%0.09144%0.436CS..EExtended strand (participates in β ladder)trans-142.8145-170.7172.90000110.4L8 I11 K13 W28 V39 R40 R42L8-V16 HydrophobicContact CD1-CG1 4.36Å; I11-V16 HydrophobicContact CG2-CB 4.29Å; I11-V16 HydrophobicContact CG2-CG2 3.72Å; K13-V16 VanDerWaalsContact O-O 3.14Å; V16-W28 HydrophobicContact CB-CH2 4.34Å; V16-V39 HydrophobicContact CB-CG1 4.43Å; V16-V39 HydrophobicContact CG1-CB 4.45Å; V16-V39 HydrophobicContact CG1-CG1 3.07Å; V16-R40 CarbonylContact C-O 3.5Å; V16-R40 WeakPolarHBondContact CA-O 3.32Å; V16-R42 WeakPolarHBondContact O-CD 3.39Å
17S91.5Very high91Very high31 Ų3181.6 Ų81.622%0.21742%0.422CS..EExtended strand (participates in β ladder)trans-117.2134.2168.462.20000109.6R40S17-R40 PolarHBondContact N-O 2.84Å; S17-R40 PolarHBondContact O-N 3.15Å; S17-R40 PolarHBondContact OG-O 3.03Å
18V93.1Very high91Very high0 Ų076.5 Ų76.50%040%0.397CS..EExtended strand (participates in β ladder)trans-104.2136.5178.9-173.80000109.1L8 V25 W28 L31 Y37 E38L8-V18 HydrophobicContact CD1-CG2 3.82Å; L8-V18 HydrophobicContact CD2-CG1 4.32Å; L8-V18 HydrophobicContact CD2-CG2 3.83Å; L8-V18 HydrophobicContact CG-CG2 4.27Å; V18-V25 PolarHBondContact O-N 3.26Å; V18-W28 HydrophobicContact CG2-CD2 4.17Å; V18-W28 HydrophobicContact CG2-CG 4.45Å; V18-W28 HydrophobicContact CG2-CZ2 3.98Å; V18-L31 HydrophobicContact CG1-CD1 3.79Å; V18-Y37 HydrophobicContact CG1-CD2 4.03Å; V18-Y37 HydrophobicContact CG1-CG 4.16Å; V18-E38 WeakPolarHBondContact CA-O 3.42Å
19R93.2Very high90.9Very high81 Ų8183.2 Ų83.231%0.30643%0.428SS..EExtended strand (participates in β ladder)trans-124.6135176.3-65-178.2-179.3-172.6-3.2110.8K23 I24 Y37 E38R19-K23 CarbonylContact C-O 3.48Å; R19-K23 WeakPolarHBondContact CA-O 3.28Å; R19-I24 HydrophobicContact CG-CG1 4.21Å; R19-Y37 CarbonylContact O-C 3.5Å; R19-Y37 VanDerWaalsContact O-CA 3.23Å; R19-Y37 WeakPolarHBondContact O-CA 3.42Å; R19-Y37 WeakPolarHBondContact O-CB 3.44Å; R19-E38 HydrophobicContact CB-CB 4.48Å; R19-E38 PolarHBondContact N-O 2.76Å; R19-E38 PolarHBondContact O-N 2.81Å
20L92.4Very high90.8Very high40 Ų4083.5 Ų83.521%0.20944%0.436CS..EExtended strand (participates in β ladder)trans-120.6123.7171.8-176.466.5000107.6G22 K23 V25 L31 D35L20-G22 PolarHBondContact O-N 2.86Å; L20-G22 VanDerWaalsContact O-N 3.14Å; L20-K23 PolarHBondContact N-O 3.21Å; L20-K23 PolarHBondContact O-N 3.22Å; L20-V25 HydrophobicContact CB-CG2 3.6Å; L20-L31 HydrophobicContact CD2-CD2 4.22Å; L20-D35 HydrophobicContact CD1-CB 3.85Å
21N89.5Confident90.7Very high142 Ų14276.5 Ų76.576%0.75940%0.4SS*.THydrogen-bonded Turntrans50.940.6-179.5-60.3-33.1000113.4K23N21-K23 PolarHBondContact O-N 3.33Å
22G89.3Confident90.7Very high66 Ų6677.4 Ų77.468%0.6841%0.408SS*.THydrogen-bonded Turntrans78.3-6-179.800000115.8L20L20-G22 PolarHBondContact O-N 2.86Å; L20-G22 VanDerWaalsContact O-N 3.14Å
23K91.5Very high90.4Very high163 Ų16381 Ų8171%0.70942%0.42SS*.EExtended strand (participates in β ladder)trans-97.1142.1176.9-66.5178.7-178.2176.20110.9R19 L20 N21R19-K23 CarbonylContact C-O 3.48Å; R19-K23 WeakPolarHBondContact CA-O 3.28Å; L20-K23 PolarHBondContact N-O 3.21Å; L20-K23 PolarHBondContact O-N 3.22Å; N21-K23 PolarHBondContact O-N 3.33Å
24I92.3Very high90.3Very high113 Ų11384.5 Ų84.558%0.57944%0.438SS*.EExtended strand (participates in β ladder)trans-75.5127176.5-62.3170.2000108.7R19R19-I24 HydrophobicContact CG-CG1 4.21Å
25V92.7Very high90.4Very high24 Ų2480.2 Ų80.215%0.14542%0.419CS..EExtended strand (participates in β ladder)trans-97.2120.8177.4-1780000108.9V18 L20 D27 W28 L31V18-V25 PolarHBondContact O-N 3.26Å; L20-V25 HydrophobicContact CB-CG2 3.6Å; V25-D27 WeakPolarHBondContact CG1-O 3.49Å; V25-W28 PolarHBondContact O-NE1 3.42Å; V25-L31 HydrophobicContact CG1-CD2 4.49Å; V25-L31 HydrophobicContact CG1-CG 4.41Å
26T91.5Very high90.3Very high118 Ų11878.1 Ų78.172%0.72442%0.419SS*.SBendtrans-86.8-37.8179.747.90000112.3K13K13-T26 PolarHBondContact NZ-O 3.16Å
27D91.1Very high90.3Very high75 Ų7578.9 Ų78.940%0.40142%0.421SS..  trans-99.4103.2176.6-174.920000111.7V25 H29 S30V25-D27 WeakPolarHBondContact CG1-O 3.49Å; D27-H29 VanDerWaalsContact C-N 3.27Å; D27-H29 PolarHBondContact O-N 2.99Å; D27-H29 IonicContact OD1-CD2 3.64Å; D27-H29 PolarHBondContact OD1-N 3.39Å; D27-S30 PolarHBondContact O-N 2.94Å; D27-S30 PolarHBondContact O-OG 3.35Å
28W90.8Very high90.3Very high11 Ų1181.6 Ų81.64%0.04243%0.43CS..G310 helixtrans-76.7-15.5-175.9-57.1-5.4000112.9L8 L9 I11 K13 V16 V18 V25 S30 L31L8-W28 HydrophobicContact CD1-CZ3 4.39Å; L8-W28 HydrophobicContact CG-CE3 4.43Å; L8-W28 WeakPolarHBondContact O-CZ3 3.35Å; L9-W28 HydrophobicContact CD2-CB 3.89Å; I11-W28 VanDerWaalsContact O-CZ3 3.32Å; I11-W28 WeakPolarHBondContact O-CZ3 3.26Å; K13-W28 VanDerWaalsContact CA-CH2 3.45Å; K13-W28 HydrophobicContact CB-CH2 4.07Å; K13-W28 HydrophobicContact CB-CZ2 4.03Å; K13-W28 HydrophobicContact CG-CD2 4.18Å; K13-W28 HydrophobicContact CG-CE3 4.12Å; K13-W28 HydrophobicContact CG-CH2 3.79Å; K13-W28 HydrophobicContact CG-CZ2 3.78Å; K13-W28 HydrophobicContact CG-CZ3 3.94Å; V16-W28 HydrophobicContact CB-CH2 4.34Å; V18-W28 HydrophobicContact CG2-CD2 4.17Å; V18-W28 HydrophobicContact CG2-CG 4.45Å; V18-W28 HydrophobicContact CG2-CZ2 3.98Å; V25-W28 PolarHBondContact O-NE1 3.42Å; W28-S30 VanDerWaalsContact C-N 3.26Å; W28-S30 PolarHBondContact O-N 3.22Å; W28-L31 HydrophobicContact CB-CD1 4.38Å; W28-L31 PolarHBondContact O-N 2.99Å
29H88.7Confident90.2Very high141 Ų14183.3 Ų83.365%0.65344%0.44SS*.G310 helixtrans-76.5-16.3176.7-64.2-70.4000112.8D27 L31D27-H29 VanDerWaalsContact C-N 3.27Å; D27-H29 PolarHBondContact O-N 2.99Å; D27-H29 IonicContact OD1-CD2 3.64Å; D27-H29 PolarHBondContact OD1-N 3.39Å; H29-L31 PolarHBondContact O-N 2.83Å
30S89.2Confident90Very high76 Ų7684.9 Ų84.953%0.53145%0.446SS..G310 helixtrans-76-9.8174.969.20000113.9D27 W28D27-S30 PolarHBondContact O-N 2.94Å; D27-S30 PolarHBondContact O-OG 3.35Å; W28-S30 VanDerWaalsContact C-N 3.26Å; W28-S30 PolarHBondContact O-N 3.22Å
31L89.2Confident89.9Confident9 Ų986.9 Ų86.95%0.04747%0.468CS..  trans-81.5141-179.1-66162.2000110.9L5 L8 V18 L20 V25 W28 H29 D35 Y37L5-L31 HydrophobicContact CD1-CB 3.89Å; L5-L31 HydrophobicContact CD1-CD1 4.43Å; L5-L31 VanDerWaalsContact CD2-O 3.23Å; L5-L31 WeakPolarHBondContact CD2-O 3.34Å; L8-L31 HydrophobicContact CD2-CD1 4.36Å; V18-L31 HydrophobicContact CG1-CD1 3.79Å; L20-L31 HydrophobicContact CD2-CD2 4.22Å; V25-L31 HydrophobicContact CG1-CD2 4.49Å; V25-L31 HydrophobicContact CG1-CG 4.41Å; W28-L31 HydrophobicContact CB-CD1 4.38Å; W28-L31 PolarHBondContact O-N 2.99Å; H29-L31 PolarHBondContact O-N 2.83Å; L31-D35 HydrophobicContact CD2-CB 4.48Å; L31-Y37 HydrophobicContact CD2-CD1 4.33Å
32T89.5Confident89.7Confident70 Ų7086.1 Ų86.143%0.42946%0.455SS..  trans-104159.9171.4640000110.6E34 D35T32-E34 PolarHBondContact O-N 3.43Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 WeakPolarHBondContact O-CB 3.1Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.17Å; T32-D35 PolarHBondContact OG1-OD2 3.01Å
33E84.6Confident89.1Confident131 Ų13189.3 Ų89.361%0.61246%0.456SS*.THydrogen-bonded Turntrans-66.5-16.2176.8-67.8-167.7168.200112.8L5L5-E33 HydrophobicContact CB-CG 4.05Å; L5-E33 HydrophobicContact CD2-CG 4.25Å
34E87.8Confident88.2Confident179 Ų17989.3 Ų89.384%0.83646%0.462SS*.THydrogen-bonded Turntrans-82.9-17.8176.5-59.7-173.3177.700112.8T32 D36T32-E34 PolarHBondContact O-N 3.43Å; E34-D36 PolarHBondContact O-N 3.21Å
35D88.5Confident87.2Confident48 Ų4886.4 Ų86.426%0.25746%0.461SS..SBendtrans-71.3129.5-177.8-74.4-49.5000112.2L20 L31 T32 Y37L20-D35 HydrophobicContact CD1-CB 3.85Å; L31-D35 HydrophobicContact CD2-CB 4.48Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 WeakPolarHBondContact O-CB 3.1Å; T32-D35 PolarHBondContact O-N 3.4Å; T32-D35 VanDerWaalsContact O-N 3.17Å; T32-D35 PolarHBondContact OG1-OD2 3.01Å; D35-Y37 VanDerWaalsContact C-N 3.32Å; D35-Y37 HydrophobicContact CB-CD1 4.3Å; D35-Y37 WeakPolarHBondContact O-CD1 3.34Å; D35-Y37 PolarHBondContact O-N 2.94Å
36D88.7Confident85.9Confident108 Ų10888.6 Ų88.658%0.57849%0.488SS*.  trans-79.377.3173.2-81-27.1000111.3K2 E34K2-D36 VanDerWaalsContact CE-OD1 3.26Å; K2-D36 WeakPolarHBondContact CE-OD1 3.48Å; K2-D36 IonicContact NZ-OD1 2.78Å; K2-D36 PolarHBondContact NZ-OD1 2.97Å; E34-D36 PolarHBondContact O-N 3.21Å
37Y91.3Very high84.8Confident30 Ų3090.9 Ų90.912%0.11849%0.488CS..EExtended strand (participates in β ladder)trans-93.4149.4175.161.9-95.8000113.4I3 L5 L8 V18 R19 L31 D35 V39I3-Y37 PolarHBondContact O-OH 3.48Å; L5-Y37 WeakPolarHBondContact CA-OH 3.4Å; L5-Y37 PolarHBondContact N-OH 3.28Å; L8-Y37 HydrophobicContact CD2-CD2 4.14Å; L8-Y37 HydrophobicContact CD2-CE2 3.64Å; V18-Y37 HydrophobicContact CG1-CD2 4.03Å; V18-Y37 HydrophobicContact CG1-CG 4.16Å; R19-Y37 CarbonylContact O-C 3.5Å; R19-Y37 VanDerWaalsContact O-CA 3.23Å; R19-Y37 WeakPolarHBondContact O-CA 3.42Å; R19-Y37 WeakPolarHBondContact O-CB 3.44Å; L31-Y37 HydrophobicContact CD2-CD1 4.33Å; D35-Y37 VanDerWaalsContact C-N 3.32Å; D35-Y37 HydrophobicContact CB-CD1 4.3Å; D35-Y37 WeakPolarHBondContact O-CD1 3.34Å; D35-Y37 PolarHBondContact O-N 2.94Å; Y37-V39 HydrophobicContact CD2-CG2 3.52Å; Y37-V39 HydrophobicContact CE2-CG2 3.53Å
38E91Very high83.9Confident88 Ų8889.6 Ų89.641%0.41149%0.493SS..EExtended strand (participates in β ladder)trans-106.3127173-171-170.7-176.100109.8V18 R19 R40V18-E38 WeakPolarHBondContact CA-O 3.42Å; R19-E38 HydrophobicContact CB-CB 4.48Å; R19-E38 PolarHBondContact N-O 2.76Å; R19-E38 PolarHBondContact O-N 2.81Å; E38-R40 VanDerWaalsContact CD-NH2 3.33Å; E38-R40 HydrophobicContact CG-CG 4.3Å; E38-R40 IonicContact OE1-CZ 2.6Å; E38-R40 IonicContact OE1-NE 2.78Å; E38-R40 PolarHBondContact OE1-NE 2.87Å; E38-R40 IonicContact OE1-NH2 3.16Å; E38-R40 PolarHBondContact OE1-NH2 3.2Å; E38-R40 IonicContact OE2-CZ 2.7Å; E38-R40 IonicContact OE2-NE 3.02Å; E38-R40 PolarHBondContact OE2-NE 3.49Å; E38-R40 IonicContact OE2-NH2 3.54Å; E38-R40 PolarHBondContact OE2-NH2 2.98Å
39V91.6Very high83.4Confident36 Ų3690.8 Ų90.822%0.21851%0.509CS..EExtended strand (participates in β ladder)trans-104122.9178.1-171.70000109.4I3 L8 V16 Y37I3-V39 HydrophobicContact CB-CG2 4.48Å; I3-V39 HydrophobicContact CD1-CB 3.89Å; I3-V39 HydrophobicContact CD1-CG1 3.77Å; I3-V39 HydrophobicContact CD1-CG2 4.21Å; L8-V39 HydrophobicContact CD1-CG1 3.85Å; L8-V39 HydrophobicContact CD1-CG2 3.97Å; L8-V39 HydrophobicContact CD2-CG2 4.26Å; V16-V39 HydrophobicContact CB-CG1 4.43Å; V16-V39 HydrophobicContact CG1-CB 4.45Å; V16-V39 HydrophobicContact CG1-CG1 3.07Å; Y37-V39 HydrophobicContact CD2-CG2 3.52Å; Y37-V39 HydrophobicContact CE2-CG2 3.53Å
40R90Very high83Confident115 Ų11591 Ų9143%0.43451%0.508SS..EExtended strand (participates in β ladder)trans-122.3132.3178-63.9-169-178.5-1581.3111.5V16 S17 E38V16-R40 CarbonylContact C-O 3.5Å; V16-R40 WeakPolarHBondContact CA-O 3.32Å; S17-R40 PolarHBondContact N-O 2.84Å; S17-R40 PolarHBondContact O-N 3.15Å; S17-R40 PolarHBondContact OG-O 3.03Å; E38-R40 VanDerWaalsContact CD-NH2 3.33Å; E38-R40 HydrophobicContact CG-CG 4.3Å; E38-R40 IonicContact OE1-CZ 2.6Å; E38-R40 IonicContact OE1-NE 2.78Å; E38-R40 PolarHBondContact OE1-NE 2.87Å; E38-R40 IonicContact OE1-NH2 3.16Å; E38-R40 PolarHBondContact OE1-NH2 3.2Å; E38-R40 IonicContact OE2-CZ 2.7Å; E38-R40 IonicContact OE2-NE 3.02Å; E38-R40 PolarHBondContact OE2-NE 3.49Å; E38-R40 IonicContact OE2-NH2 3.54Å; E38-R40 PolarHBondContact OE2-NH2 2.98Å
41A88.6Confident82.7Confident81 Ų8188.8 Ų88.867%0.66950%0.497SS*.EExtended strand (participates in β ladder)trans-63.3134.6171.700000111.1W15W15-A41 CarbonylContact O-C 3.55Å; W15-A41 WeakPolarHBondContact O-CA 3.35Å
42R85.9Confident82.5Confident127 Ų12790.7 Ų90.748%0.47951%0.511SS..  trans-86.6115.6171.8-65.8177.167.1170.36.3107.5K13 Q14 W15 V16K13-R42 PolarHBondContact O-NH1 3.49Å; Q14-R42 WeakPolarHBondContact O-CB 3.26Å; Q14-R42 VanDerWaalsContact O-CD 3.28Å; Q14-R42 WeakPolarHBondContact O-CD 3.4Å; Q14-R42 PolarHBondContact O-NE 3.39Å; W15-R42 PolarHBondContact O-N 3.43Å; V16-R42 WeakPolarHBondContact O-CD 3.39Å
43L77.9Confident82.3Confident133 Ų13391.4 Ų91.470%0.69651%0.512SS*.  trans-74.9129.6171.2-60174.1000109.6G45L43-G45 PolarHBondContact O-N 3.44Å
44L72.1Confident82.3Confident162 Ų16289.8 Ų89.885%0.84851%0.507SS*.SBendtrans-72.889.2172.4-66.7162.3000107.9
45G69.8Low82.3Confident53 Ų5390.2 Ų90.255%0.54650%0.501SS..SBendtrans80.6171.5-17500000113.9L43L43-G45 PolarHBondContact O-N 3.44Å
46G66.2Low82.1Confident70 Ų7091.2 Ų91.272%0.72251%0.511SS*.  trans98.8-7.1174.500000117.5G48 G49G46-G48 PolarHBondContact O-N 3.06Å; G46-G48 VanDerWaalsContact O-N 3.17Å; G46-G49 PolarHBondContact O-N 2.93Å
47K68.4Low81.9Confident165 Ų16590 Ų9072%0.71750%0.501SS*.THydrogen-bonded Turntrans-64.8-22.4177.4-37.4-174.1-163.4-164.30113G49K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 3.29Å
48G71.8Confident81.3Confident49 Ų4991 Ų9151%0.50552%0.521SS..THydrogen-bonded Turntrans-75.5-10.1178.900000114.6G46 F50 G51 S52G46-G48 PolarHBondContact O-N 3.06Å; G46-G48 VanDerWaalsContact O-N 3.17Å; G48-F50 PolarHBondContact O-N 2.97Å; G48-G51 PolarHBondContact O-N 2.99Å; G48-G51 VanDerWaalsContact O-N 3.16Å; G48-S52 PolarHBondContact O-N 2.92Å; G48-S52 PolarHBondContact O-OG 3.03Å
49G79.9Confident80.6Confident36 Ų3690.8 Ų90.837%0.37153%0.529SS..Hα-helixtrans-59.6-42.2-176.800000113.1G46 K47 S52 L53G46-G49 PolarHBondContact O-N 2.93Å; K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 3.29Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 2.93Å; G49-S52 PolarHBondContact O-OG 3.04Å; G49-L53 WeakPolarHBondContact O-CB 3.5Å; G49-L53 PolarHBondContact O-N 3.44Å
50F81.5Confident79.7Confident144 Ų14495.3 Ų95.363%0.63255%0.548SS*.Hα-helixtrans-65.9-41.4176.4-178.1-108.3000112G48 L53 L54G48-F50 PolarHBondContact O-N 2.97Å; F50-L53 WeakPolarHBondContact O-CB 3.39Å; F50-L53 PolarHBondContact O-N 3.37Å; F50-L54 HydrophobicContact CD1-CD1 3.96Å; F50-L54 HydrophobicContact CD1-CG 4.46Å; F50-L54 HydrophobicContact CE1-CD1 3.44Å; F50-L54 VanDerWaalsContact CE1-CD1 3.44Å; F50-L54 HydrophobicContact CE1-CG 4.13Å; F50-L54 HydrophobicContact CE2-CG 4.4Å; F50-L54 HydrophobicContact CZ-CD1 3.76Å; F50-L54 HydrophobicContact CZ-CD2 4.28Å; F50-L54 HydrophobicContact CZ-CG 4.1Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 WeakPolarHBondContact O-CG 3.48Å; F50-L54 PolarHBondContact O-N 2.9Å
51G83Confident78.7Confident30 Ų3096.9 Ų96.931%0.30956%0.558SS.*Hα-helixtrans-71.4-33.2177.600000113.8G48 R55G48-G51 PolarHBondContact O-N 2.99Å; G48-G51 VanDerWaalsContact O-N 3.16Å; G51-R55 WeakPolarHBondContact O-CG 3.19Å; G51-R55 PolarHBondContact O-N 3.02Å; G51-R55 VanDerWaalsContact O-N 3.1Å; G51-R55 PolarHBondContact O-NE 3.45Å
52S84Confident77.9Confident50 Ų50102.6 Ų102.635%0.3556%0.564SS.*Hα-helixtrans-70.1-41.4170.655.80000110.9G48 G49 L54 R55 S56G48-S52 PolarHBondContact O-N 2.92Å; G48-S52 PolarHBondContact O-OG 3.03Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 2.93Å; G49-S52 PolarHBondContact O-OG 3.04Å; S52-L54 PolarHBondContact O-N 3.28Å; S52-R55 PolarHBondContact O-N 3.05Å; S52-R55 VanDerWaalsContact O-N 3.12Å; S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.14Å; S52-S56 PolarHBondContact O-OG 2.8Å; S52-S56 VanDerWaalsContact O-OG 3.09Å
53L85.4Confident77.2Confident85 Ų85106.4 Ų106.445%0.44558%0.584SS.*Hα-helixtrans-59.3-46.3175.4-17664.5000111G49 F50 R55 S56 F57G49-L53 WeakPolarHBondContact O-CB 3.5Å; G49-L53 PolarHBondContact O-N 3.44Å; F50-L53 WeakPolarHBondContact O-CB 3.39Å; F50-L53 PolarHBondContact O-N 3.37Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.41Å; L53-S56 PolarHBondContact O-N 2.85Å; L53-F57 HydrophobicContact CD1-CD2 3.72Å; L53-F57 HydrophobicContact CD1-CE2 3.18Å; L53-F57 HydrophobicContact CD1-CZ 3.77Å; L53-F57 HydrophobicContact CD2-CD2 4.47Å; L53-F57 HydrophobicContact CD2-CE2 3.88Å; L53-F57 HydrophobicContact CG-CD2 3.58Å; L53-F57 HydrophobicContact CG-CE2 3.31Å; L53-F57 HydrophobicContact CG-CZ 4.35Å; L53-F57 VanDerWaalsContact O-CB 3.32Å; L53-F57 WeakPolarHBondContact O-CB 3.41Å; L53-F57 WeakPolarHBondContact O-CD2 3.47Å; L53-F57 WeakPolarHBondContact O-CG 3.35Å; L53-F57 PolarHBondContact O-N 3.15Å
54L85.9Confident77.2Confident96 Ų96104.7 Ų104.750%0.50358%0.583SS.*Hα-helixtrans-62.3-37.7174.1-73.8-179.4000112.7F50 S52 G58F50-L54 HydrophobicContact CD1-CD1 3.96Å; F50-L54 HydrophobicContact CD1-CG 4.46Å; F50-L54 HydrophobicContact CE1-CD1 3.44Å; F50-L54 VanDerWaalsContact CE1-CD1 3.44Å; F50-L54 HydrophobicContact CE1-CG 4.13Å; F50-L54 HydrophobicContact CE2-CG 4.4Å; F50-L54 HydrophobicContact CZ-CD1 3.76Å; F50-L54 HydrophobicContact CZ-CD2 4.28Å; F50-L54 HydrophobicContact CZ-CG 4.1Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 WeakPolarHBondContact O-CG 3.48Å; F50-L54 PolarHBondContact O-N 2.9Å; S52-L54 PolarHBondContact O-N 3.28Å; L54-G58 WeakPolarHBondContact O-CA 3.37Å; L54-G58 PolarHBondContact O-N 2.91Å
55R85.9Confident77.5Confident189 Ų189103.6 Ų103.671%0.71358%0.583SS**Hα-helixtrans-68.7-41.4175.4-80.5-178.1-74.3154.1-5.2112.4G51 S52 L53 G58 S59G51-R55 WeakPolarHBondContact O-CG 3.19Å; G51-R55 PolarHBondContact O-N 3.02Å; G51-R55 VanDerWaalsContact O-N 3.1Å; G51-R55 PolarHBondContact O-NE 3.45Å; S52-R55 PolarHBondContact O-N 3.05Å; S52-R55 VanDerWaalsContact O-N 3.12Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.41Å; R55-G58 PolarHBondContact O-N 3.27Å; R55-S59 PolarHBondContact O-N 2.92Å
56S84.9Confident78.1Confident68 Ų68105.1 Ų105.148%0.47658%0.579SS.*Hα-helixtrans-64.1-42.8174.7-63.30000111.7S52 L53 S59 Q60S52-S56 WeakPolarHBondContact O-CB 3.38Å; S52-S56 PolarHBondContact O-N 3.14Å; S52-S56 PolarHBondContact O-OG 2.8Å; S52-S56 VanDerWaalsContact O-OG 3.09Å; L53-S56 PolarHBondContact O-N 2.85Å; S56-S59 PolarHBondContact O-OG 3.43Å; S56-Q60 PolarHBondContact O-OE1 2.89Å
57F85.3Confident79Confident83 Ų83107.8 Ų107.836%0.36457%0.573SS.*Hα-helixtrans-69.6-39.2176-81.5-46.7000112.6L53 S59 Q60 F61L53-F57 HydrophobicContact CD1-CD2 3.72Å; L53-F57 HydrophobicContact CD1-CE2 3.18Å; L53-F57 HydrophobicContact CD1-CZ 3.77Å; L53-F57 HydrophobicContact CD2-CD2 4.47Å; L53-F57 HydrophobicContact CD2-CE2 3.88Å; L53-F57 HydrophobicContact CG-CD2 3.58Å; L53-F57 HydrophobicContact CG-CE2 3.31Å; L53-F57 HydrophobicContact CG-CZ 4.35Å; L53-F57 VanDerWaalsContact O-CB 3.32Å; L53-F57 WeakPolarHBondContact O-CB 3.41Å; L53-F57 WeakPolarHBondContact O-CD2 3.47Å; L53-F57 WeakPolarHBondContact O-CG 3.35Å; L53-F57 PolarHBondContact O-N 3.15Å; F57-S59 PolarHBondContact O-N 3.35Å; F57-S59 VanDerWaalsContact O-N 3.17Å; F57-Q60 PolarHBondContact O-N 3.46Å; F57-F61 HydrophobicContact CB-CD2 3.85Å; F57-F61 HydrophobicContact CB-CE2 3.62Å; F57-F61 HydrophobicContact CD1-CD2 4.49Å; F57-F61 AromaticContact CD1-CE2 3.59Å; F57-F61 HydrophobicContact CD1-CE2 3.59Å; F57-F61 HydrophobicContact CD1-CZ 4.13Å; F57-F61 HydrophobicContact CE1-CE2 4.49Å; F57-F61 AromaticContact CG-CE2 3.79Å; F57-F61 HydrophobicContact CG-CE2 3.79Å; F57-F61 WeakPolarHBondContact O-CD2 3.48Å; F57-F61 PolarHBondContact O-N 3.36Å
58G78.9Confident80Confident52 Ų52102.2 Ų102.254%0.53655%0.55SS.*Hα-helixtrans-60-26.5-178.100000113.9L54 R55L54-G58 WeakPolarHBondContact O-CA 3.37Å; L54-G58 PolarHBondContact O-N 2.91Å; R55-G58 PolarHBondContact O-N 3.27Å
59S75.7Confident80.9Confident83 Ų83105.1 Ų105.158%0.5855%0.552SS**Hα-helixtrans-82.6-2617463.10000113.6R55 S56 F57R55-S59 PolarHBondContact O-N 2.92Å; S56-S59 PolarHBondContact O-OG 3.43Å; F57-S59 PolarHBondContact O-N 3.35Å; F57-S59 VanDerWaalsContact O-N 3.17Å
60Q73Confident81.4Confident131 Ų131106.5 Ų106.561%0.61256%0.555SS**Hα-helixtrans-83.5-31.4179-65.1-179.2-89.300112.4S56 F57 Y62S56-Q60 PolarHBondContact O-OE1 2.89Å; F57-Q60 PolarHBondContact O-N 3.46Å; Q60-Y62 PolarHBondContact O-N 2.96Å
61F68Low82Confident147 Ų147108.1 Ų108.165%0.64556%0.557SS**  trans-85.586.5177.2-63.7-62.6000110.9F57F57-F61 HydrophobicContact CB-CD2 3.85Å; F57-F61 HydrophobicContact CB-CE2 3.62Å; F57-F61 HydrophobicContact CD1-CD2 4.49Å; F57-F61 AromaticContact CD1-CE2 3.59Å; F57-F61 HydrophobicContact CD1-CE2 3.59Å; F57-F61 HydrophobicContact CD1-CZ 4.13Å; F57-F61 HydrophobicContact CE1-CE2 4.49Å; F57-F61 AromaticContact CG-CE2 3.79Å; F57-F61 HydrophobicContact CG-CE2 3.79Å; F57-F61 WeakPolarHBondContact O-CD2 3.48Å; F57-F61 PolarHBondContact O-N 3.36Å
62Y72.4Confident82.4Confident202 Ų202108.7 Ų108.779%0.79255%0.553SS**PPolyproline II helixtrans-58.8146.8162.3-61.2-79.6000109.8Q60 S64Q60-Y62 PolarHBondContact O-N 2.96Å; Y62-S64 PolarHBondContact O-N 2.8Å
63K72.2Confident82.8Confident207 Ų207115.6 Ų115.690%0.959%0.585SS**PPolyproline II helixtrans-50.5118175.1-66.6-171.5179.3-165.40108.7T65K63-T65 PolarHBondContact O-N 3Å; K63-T65 VanDerWaalsContact O-N 3.09Å
64S76.5Confident83.2Confident97 Ų97115.5 Ų115.568%0.67859%0.592SS**PPolyproline II helixtrans-54.4120.4177.2178.40000109.3Y62 N66Y62-S64 PolarHBondContact O-N 2.8Å; S64-N66 PolarHBondContact O-N 2.99Å; S64-N66 PolarHBondContact OG-N 3.37Å
65T78.2Confident83.5Confident139 Ų139112.9 Ų112.985%0.85359%0.588SS**  trans-74.9-11.2174.3-168.20000111.8K63 Q67K63-T65 PolarHBondContact O-N 3Å; K63-T65 VanDerWaalsContact O-N 3.09Å; T65-Q67 PolarHBondContact O-N 3.42Å
66N82.9Confident83.8Confident84 Ų84111.7 Ų111.745%0.44958%0.583SS.*  trans-7894.6178.1-171.2-8000110.9S64 D68S64-N66 PolarHBondContact O-N 2.99Å; S64-N66 PolarHBondContact OG-N 3.37Å; N66-D68 VanDerWaalsContact C-N 3.32Å; N66-D68 WeakPolarHBondContact OD1-CB 3.45Å; N66-D68 PolarHBondContact OD1-N 3.03Å
67Q85.8Confident84.2Confident127 Ų127115 Ų11559%0.59359%0.585SS**  trans-83.4-2.7175.1-62.7-176.1-12.900113.3T65 M69 C70 L78T65-Q67 PolarHBondContact O-N 3.42Å; Q67-M69 PolarHBondContact O-N 3.27Å; Q67-M69 VanDerWaalsContact O-N 3.12Å; Q67-C70 VanDerWaalsContact O-CB 3.25Å; Q67-C70 WeakPolarHBondContact O-CB 3.25Å; Q67-C70 PolarHBondContact O-N 3.47Å; Q67-L78 HydrophobicContact CB-CD1 4.35Å; Q67-L78 WeakPolarHBondContact O-CD1 3.43Å
68D88.9Confident84.6Confident47 Ų47113.2 Ų113.225%0.25158%0.579SS.*THydrogen-bonded Turntrans-66.5-22.5-171-67.9-21000113.1N66 C70 K79 K82N66-D68 VanDerWaalsContact C-N 3.32Å; N66-D68 WeakPolarHBondContact OD1-CB 3.45Å; N66-D68 PolarHBondContact OD1-N 3.03Å; D68-C70 VanDerWaalsContact C-N 3.35Å; D68-K79 HydrophobicContact CB-CB 4.05Å; D68-K79 WeakPolarHBondContact O-CB 3.39Å; D68-K79 PolarHBondContact O-N 2.92Å; D68-K79 VanDerWaalsContact O-N 3.13Å; D68-K82 IonicContact OD1-NZ 3.68Å; D68-K82 PolarHBondContact OD1-NZ 3.46Å
69M90Very high85.3Confident110 Ų110115.5 Ų115.554%0.54258%0.575SS.*THydrogen-bonded Turntrans-80.6-16176.4-62.2-55.9107.500113.2Q67 K79Q67-M69 PolarHBondContact O-N 3.27Å; Q67-M69 VanDerWaalsContact O-N 3.12Å; M69-K79 HydrophobicContact CE-CD 4.2Å
70C91Very high86.2Confident65 Ų65114.9 Ų114.944%0.43957%0.57SS.*  trans-65.4149177.6-61.50000110.6Q67 D68 R77 L78Q67-C70 VanDerWaalsContact O-CB 3.25Å; Q67-C70 WeakPolarHBondContact O-CB 3.25Å; Q67-C70 PolarHBondContact O-N 3.47Å; D68-C70 VanDerWaalsContact C-N 3.35Å; C70-R77 WeakPolarHBondContact O-CA 3.36Å; C70-L78 HydrophobicContact CB-CD1 3.95Å; C70-L78 HydrophobicContact CB-CG 4.41Å; C70-L78 PolarHBondContact O-N 3.42Å
71R93.9Very high87.1Confident179 Ų179114.6 Ų114.668%0.67557%0.567SS**BIsolated β-bridgetrans-92.6150.4171.9-67.7-174.9172.6-179.6-2.7110R76 R77R71-R76 CarbonylContact C-O 3.59Å; R71-R76 VanDerWaalsContact CA-O 3.26Å; R71-R76 WeakPolarHBondContact CA-O 3.5Å; R71-R77 HydrophobicContact CG-CG 4.48Å
72D91.6Very high88.3Confident41 Ų41112.7 Ų112.722%0.21956%0.558CS.*  trans-83.6175.5166.565.121.7000111.3S74 G75 R76 L78D72-S74 PolarHBondContact O-N 2.96Å; D72-S74 VanDerWaalsContact O-N 3.15Å; D72-S74 VanDerWaalsContact OD1-C 3.3Å; D72-S74 VanDerWaalsContact OD1-CA 3.31Å; D72-S74 WeakPolarHBondContact OD1-CA 3.38Å; D72-S74 WeakPolarHBondContact OD1-CB 3.4Å; D72-S74 PolarHBondContact OD1-N 2.98Å; D72-S74 PolarHBondContact OD1-OG 3.37Å; D72-S74 PolarHBondContact OD2-OG 2.94Å; D72-G75 PolarHBondContact O-N 3.47Å; D72-G75 PolarHBondContact OD1-N 2.87Å; D72-R76 PolarHBondContact N-O 2.94Å; D72-R76 PolarHBondContact OD1-N 3.33Å; D72-L78 HydrophobicContact CB-CD2 4.4Å
73L93.2Very high89.4Confident195 Ų195106.9 Ų106.9100%1.02154%0.541SS*.THydrogen-bonded Turntrans-63.4-15.8177.3-63.3177.1000113.2G75L73-G75 VanDerWaalsContact C-N 3.34Å
74S92.4Very high90.4Very high84 Ų84103 Ų10359%0.58753%0.526SS*.THydrogen-bonded Turntrans-89.7-1.2173.877.80000113.1D72 R76D72-S74 PolarHBondContact O-N 2.96Å; D72-S74 VanDerWaalsContact O-N 3.15Å; D72-S74 VanDerWaalsContact OD1-C 3.3Å; D72-S74 VanDerWaalsContact OD1-CA 3.31Å; D72-S74 WeakPolarHBondContact OD1-CA 3.38Å; D72-S74 WeakPolarHBondContact OD1-CB 3.4Å; D72-S74 PolarHBondContact OD1-N 2.98Å; D72-S74 PolarHBondContact OD1-OG 3.37Å; D72-S74 PolarHBondContact OD2-OG 2.94Å; S74-R76 VanDerWaalsContact C-N 3.32Å
75G93.1Very high91.3Very high40 Ų40104.9 Ų104.941%0.41252%0.524SS..SBendtrans83.2-1.8-178.400000115.1D72 L73D72-G75 PolarHBondContact O-N 3.47Å; D72-G75 PolarHBondContact OD1-N 2.87Å; L73-G75 VanDerWaalsContact C-N 3.34Å
76R92.3Very high92.1Very high165 Ų165107.6 Ų107.662%0.62352%0.519SS*.  trans-79.1148.9177.2-61.1-179.9177.8-160.30.6110.1R71 D72 S74R71-R76 CarbonylContact C-O 3.59Å; R71-R76 VanDerWaalsContact CA-O 3.26Å; R71-R76 WeakPolarHBondContact CA-O 3.5Å; D72-R76 PolarHBondContact N-O 2.94Å; D72-R76 PolarHBondContact OD1-N 3.33Å; S74-R76 VanDerWaalsContact C-N 3.32Å
77R94Very high92.7Very high138 Ų138107.4 Ų107.452%0.52152%0.517SS..BIsolated β-bridgetrans-75.1141.1176.3-73.7-176.7174.7144.9-2.5111.1C70 R71 K79 S80 K81C70-R77 WeakPolarHBondContact O-CA 3.36Å; R71-R77 HydrophobicContact CG-CG 4.48Å; R77-K79 PolarHBondContact O-N 3.2Å; R77-S80 PolarHBondContact O-N 3.47Å; R77-S80 VanDerWaalsContact O-N 3.1Å; R77-K81 PolarHBondContact O-N 2.89Å
78L92.6Very high93.2Very high45 Ų45109 Ų10924%0.23652%0.522CS..Hα-helixtrans-58.1-35.1177.2-72.3-176.4000112.3Q67 C70 D72 S80 K81 K82Q67-L78 HydrophobicContact CB-CD1 4.35Å; Q67-L78 WeakPolarHBondContact O-CD1 3.43Å; C70-L78 HydrophobicContact CB-CD1 3.95Å; C70-L78 HydrophobicContact CB-CG 4.41Å; C70-L78 PolarHBondContact O-N 3.42Å; D72-L78 HydrophobicContact CB-CD2 4.4Å; L78-S80 PolarHBondContact O-N 2.71Å; L78-K81 PolarHBondContact O-N 2.71Å; L78-K82 WeakPolarHBondContact O-CG 3.45Å; L78-K82 PolarHBondContact O-N 2.91Å; L78-K82 VanDerWaalsContact O-N 3.07Å
79K94.4Very high93.6Very high100 Ų100113.3 Ų113.344%0.43554%0.539SS..Hα-helixtrans-53-52.3172.8-170.6176175.4-179.10112.6D68 M69 R77 K81 K82 D83D68-K79 HydrophobicContact CB-CB 4.05Å; D68-K79 WeakPolarHBondContact O-CB 3.39Å; D68-K79 PolarHBondContact O-N 2.92Å; D68-K79 VanDerWaalsContact O-N 3.13Å; M69-K79 HydrophobicContact CE-CD 4.2Å; R77-K79 PolarHBondContact O-N 3.2Å; K79-K81 VanDerWaalsContact C-N 3.27Å; K79-K81 PolarHBondContact O-N 3.42Å; K79-K82 PolarHBondContact O-N 2.96Å; K79-K82 VanDerWaalsContact O-N 3.15Å; K79-D83 WeakPolarHBondContact O-CB 3.46Å; K79-D83 VanDerWaalsContact O-CG 3.31Å; K79-D83 PolarHBondContact O-N 3.31Å
80S94.3Very high93.9Very high70 Ų70116 Ų11649%0.4954%0.543SS..Hα-helixtrans-61.1-38.3-176.1-57.70000111.8R77 L78 D83 E84R77-S80 PolarHBondContact O-N 3.47Å; R77-S80 VanDerWaalsContact O-N 3.1Å; L78-S80 PolarHBondContact O-N 2.71Å; S80-D83 PolarHBondContact O-N 2.89Å; S80-E84 WeakPolarHBondContact O-CB 3.48Å; S80-E84 PolarHBondContact O-N 3.47Å
81K91.5Very high94.1Very high125 Ų125116.3 Ų116.354%0.54354%0.54SS..Hα-helixtrans-65.2-45.3175.9-172.3178.7179.8178.50112.1R77 L78 K79 E84 E85R77-K81 PolarHBondContact O-N 2.89Å; L78-K81 PolarHBondContact O-N 2.71Å; K79-K81 VanDerWaalsContact C-N 3.27Å; K79-K81 PolarHBondContact O-N 3.42Å; K81-E84 PolarHBondContact O-N 3.29Å; K81-E85 PolarHBondContact O-N 3.46Å
82K93.4Very high94.2Very high106 Ų106117 Ų11746%0.46154%0.543SS..Hα-helixtrans-63.5-40.9176.3-71.2178.6-179.2176.90111.8D68 L78 K79 E85 R86D68-K82 IonicContact OD1-NZ 3.68Å; D68-K82 PolarHBondContact OD1-NZ 3.46Å; L78-K82 WeakPolarHBondContact O-CG 3.45Å; L78-K82 PolarHBondContact O-N 2.91Å; L78-K82 VanDerWaalsContact O-N 3.07Å; K79-K82 PolarHBondContact O-N 2.96Å; K79-K82 VanDerWaalsContact O-N 3.15Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-R86 WeakPolarHBondContact O-CB 3.27Å; K82-R86 PolarHBondContact O-N 3.38Å
83D95.1Very high94.4Very high80 Ų80120.9 Ų120.943%0.42856%0.558SS.*Hα-helixtrans-64.1-42.6178.2-72.2-21.8000111.3K79 S80 R86 L87K79-D83 WeakPolarHBondContact O-CB 3.46Å; K79-D83 VanDerWaalsContact O-CG 3.31Å; K79-D83 PolarHBondContact O-N 3.31Å; S80-D83 PolarHBondContact O-N 2.89Å; D83-R86 PolarHBondContact O-N 3.3Å; D83-L87 WeakPolarHBondContact O-CB 3.08Å; D83-L87 PolarHBondContact O-N 2.98Å
84E94.5Very high94.5Very high125 Ų125119.5 Ų119.558%0.58454%0.539SS*.Hα-helixtrans-62.1-45.5175.1-171.5-176.3162.100111.8S80 K81 R86 L87 K88S80-E84 WeakPolarHBondContact O-CB 3.48Å; S80-E84 PolarHBondContact O-N 3.47Å; K81-E84 PolarHBondContact O-N 3.29Å; E84-R86 PolarHBondContact O-N 2.92Å; E84-L87 PolarHBondContact O-N 2.83Å; E84-K88 WeakPolarHBondContact O-CB 3.41Å; E84-K88 PolarHBondContact O-N 3.26Å
85E94.8Very high94.6Very high137 Ų137122.3 Ų122.364%0.6454%0.541SS*.Hα-helixtrans-62.6-42.8177-172.5178.9-178.100111.9K81 K82 L87 K88 K89K81-E85 PolarHBondContact O-N 3.46Å; K82-E85 PolarHBondContact O-N 3.48Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 2.81Å; E85-K88 PolarHBondContact O-N 2.96Å; E85-K89 WeakPolarHBondContact O-CB 3.08Å; E85-K89 PolarHBondContact O-N 2.78Å
86R95.8Very high94.7Very high196 Ų196126.3 Ų126.374%0.7455%0.549SS*.Hα-helixtrans-61.5-43.5176.1-172.3177.9-177.5-175.81.4111.1K82 D83 E84 K89 R90K82-R86 WeakPolarHBondContact O-CB 3.27Å; K82-R86 PolarHBondContact O-N 3.38Å; D83-R86 PolarHBondContact O-N 3.3Å; E84-R86 PolarHBondContact O-N 2.92Å; R86-K89 PolarHBondContact O-N 3.42Å; R86-R90 PolarHBondContact O-N 3.47Å
87L95.3Very high94.8Very high80 Ų80124.2 Ų124.242%0.41955%0.546SS..Hα-helixtrans-64.5-44177.1-177.459.2000111.5D83 E84 E85 K89 R90 N91D83-L87 WeakPolarHBondContact O-CB 3.08Å; D83-L87 PolarHBondContact O-N 2.98Å; E84-L87 PolarHBondContact O-N 2.83Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 2.81Å; L87-K89 PolarHBondContact O-N 3.01Å; L87-R90 PolarHBondContact O-N 3.42Å; L87-N91 WeakPolarHBondContact O-CB 3.22Å; L87-N91 VanDerWaalsContact O-CG 3.28Å; L87-N91 PolarHBondContact O-N 3.05Å; L87-N91 PolarHBondContact O-ND2 3.3Å
88K96.1Very high94.9Very high162 Ų162121.3 Ų121.370%0.70454%0.541SS*.Hα-helixtrans-60.4-43.3176.1-171.7176.3-178.31770111.7E84 E85 N91 R92E84-K88 WeakPolarHBondContact O-CB 3.41Å; E84-K88 PolarHBondContact O-N 3.26Å; E85-K88 PolarHBondContact O-N 2.96Å; K88-N91 PolarHBondContact O-N 3.09Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 PolarHBondContact O-N 3.34Å
89K96.4Very high94.9Very high137 Ų137123.2 Ų123.260%0.59655%0.55SS**Hα-helixtrans-63.5-44.2176.2-171.6174.9-176.7175.30111.8E85 R86 L87 R92 K93E85-K89 WeakPolarHBondContact O-CB 3.08Å; E85-K89 PolarHBondContact O-N 2.78Å; R86-K89 PolarHBondContact O-N 3.42Å; L87-K89 PolarHBondContact O-N 3.01Å; K89-R92 PolarHBondContact O-N 3.42Å; K89-K93 WeakPolarHBondContact O-CG 3.38Å; K89-K93 PolarHBondContact O-N 2.89Å
90R95.6Very high94.9Very high166 Ų166127.8 Ų127.863%0.62657%0.565SS**Hα-helixtrans-60.3-47.8176.1-173.9-18070.4170.61.1111.6R86 L87 R92 K93 R94R86-R90 PolarHBondContact O-N 3.47Å; L87-R90 PolarHBondContact O-N 3.42Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.15Å; R90-K93 PolarHBondContact O-N 3.38Å; R90-R94 PolarHBondContact O-N 2.87Å
91N96.2Very high94.9Very high72 Ų72127.1 Ų127.139%0.38556%0.563SS.*Hα-helixtrans-64.3-37.1179.7-69.2-14.9000112L87 K88 K95L87-N91 WeakPolarHBondContact O-CB 3.22Å; L87-N91 VanDerWaalsContact O-CG 3.28Å; L87-N91 PolarHBondContact O-N 3.05Å; L87-N91 PolarHBondContact O-ND2 3.3Å; K88-N91 PolarHBondContact O-N 3.09Å; N91-K95 WeakPolarHBondContact O-CG 3.34Å; N91-K95 PolarHBondContact O-N 2.94Å
92R95.4Very high95Very high194 Ų194127.9 Ų127.973%0.73257%0.567SS**Hα-helixtrans-64.6-43.9174.5-174.6177.7176.7178.8-0.5112K88 K89 R90 K95 Q96K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 PolarHBondContact O-N 3.34Å; K89-R92 PolarHBondContact O-N 3.42Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R90-R92 PolarHBondContact O-N 3.15Å; R92-K95 PolarHBondContact O-N 3.22Å; R92-Q96 PolarHBondContact O-N 2.86Å
93K95.5Very high94.9Very high122 Ų122131.5 Ų131.553%0.5358%0.578SS.*Hα-helixtrans-61.1-49.2176.2-74.8-173.5172.3-163.40111.7K89 R90 K95 Q96 E97K89-K93 WeakPolarHBondContact O-CG 3.38Å; K89-K93 PolarHBondContact O-N 2.89Å; R90-K93 PolarHBondContact O-N 3.38Å; K93-K95 VanDerWaalsContact C-N 3.35Å; K93-K95 PolarHBondContact O-N 3.37Å; K93-Q96 WeakPolarHBondContact O-CB 3.45Å; K93-Q96 PolarHBondContact O-N 3.24Å; K93-E97 WeakPolarHBondContact O-CG 3.49Å; K93-E97 PolarHBondContact O-N 3.07Å
94R95.3Very high94.7Very high165 Ų165133.4 Ų133.462%0.62359%0.587SS**Hα-helixtrans-57.2-45.5176.7-172.4178.1178.81802.8112.2R90 Q96 E97 D98R90-R94 PolarHBondContact O-N 2.87Å; R94-Q96 VanDerWaalsContact C-N 3.33Å; R94-Q96 PolarHBondContact O-N 3.42Å; R94-E97 PolarHBondContact O-N 3.19Å; R94-D98 WeakPolarHBondContact O-CB 3.41Å; R94-D98 PolarHBondContact O-N 2.84Å
95K95.4Very high94.3Very high144 Ų144131.9 Ų131.963%0.62659%0.59SS**Hα-helixtrans-60.7-40.3175.1-75.1-179179.1-171.20112.6N91 R92 K93 I99N91-K95 WeakPolarHBondContact O-CG 3.34Å; N91-K95 PolarHBondContact O-N 2.94Å; R92-K95 PolarHBondContact O-N 3.22Å; K93-K95 VanDerWaalsContact C-N 3.35Å; K93-K95 PolarHBondContact O-N 3.37Å; K95-I99 WeakPolarHBondContact O-CB 3.31Å; K95-I99 WeakPolarHBondContact O-CD1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.46Å; K95-I99 PolarHBondContact O-N 2.97Å
96Q95Very high94Very high124 Ų124133.6 Ų133.658%0.57960%0.595SS**Hα-helixtrans-65.3-42.7177.5-168.677.531.100111.3R92 K93 R94 I99 R100R92-Q96 PolarHBondContact O-N 2.86Å; K93-Q96 WeakPolarHBondContact O-CB 3.45Å; K93-Q96 PolarHBondContact O-N 3.24Å; R94-Q96 VanDerWaalsContact C-N 3.33Å; R94-Q96 PolarHBondContact O-N 3.42Å; Q96-I99 PolarHBondContact O-N 3.18Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 2.95Å
97E94.6Very high93.6Very high120 Ų120129.2 Ų129.256%0.56159%0.586SS**Hα-helixtrans-63.8-45.4175.7-72.8161.6-165.100111.1K93 R94 I99 R100 A101K93-E97 WeakPolarHBondContact O-CG 3.49Å; K93-E97 PolarHBondContact O-N 3.07Å; R94-E97 PolarHBondContact O-N 3.19Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.61Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-A101 WeakPolarHBondContact O-CB 3.33Å; E97-A101 PolarHBondContact O-N 3.25Å
98D95Very high93Very high78 Ų78131.2 Ų131.242%0.41760%0.604SS.*Hα-helixtrans-60.9-41.4176.2-68.9-22.2000111.7R94 K102R94-D98 WeakPolarHBondContact O-CB 3.41Å; R94-D98 PolarHBondContact O-N 2.84Å; D98-K102 WeakPolarHBondContact O-CB 3.39Å; D98-K102 VanDerWaalsContact O-CG 3.24Å; D98-K102 WeakPolarHBondContact O-CG 3.3Å; D98-K102 PolarHBondContact O-N 2.94Å
99I94.4Very high92.3Very high85 Ų85130.9 Ų130.944%0.43660%0.602SS.*Hα-helixtrans-65.2-42.8175.3-68.7163.6000110.4K95 Q96 E97 K102 R103K95-I99 WeakPolarHBondContact O-CB 3.31Å; K95-I99 WeakPolarHBondContact O-CD1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.46Å; K95-I99 PolarHBondContact O-N 2.97Å; Q96-I99 PolarHBondContact O-N 3.18Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.61Å; I99-K102 PolarHBondContact O-N 3.46Å; I99-R103 WeakPolarHBondContact O-CG 3.25Å; I99-R103 PolarHBondContact O-N 3.13Å
100R94Very high91.5Very high195 Ų195131.6 Ų131.674%0.73661%0.607SS**Hα-helixtrans-64.5-44.6177.8-174.1-179.5-180-176.1-0.2111.1Q96 E97 R103 L104Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 PolarHBondContact O-N 2.95Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 VanDerWaalsContact O-N 3.14Å; R100-R103 PolarHBondContact O-N 3Å; R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 3.1Å
101A93.4Very high90.8Very high56 Ų56129.4 Ų129.446%0.46361%0.608SS.*Hα-helixtrans-62-44.9177.500000111.2E97 R103 L104 S105E97-A101 WeakPolarHBondContact O-CB 3.33Å; E97-A101 PolarHBondContact O-N 3.25Å; A101-R103 VanDerWaalsContact C-N 3.31Å; A101-R103 PolarHBondContact O-N 3.33Å; A101-L104 PolarHBondContact O-N 3.07Å; A101-S105 WeakPolarHBondContact O-CB 3.39Å; A101-S105 PolarHBondContact O-N 3.01Å; A101-S105 PolarHBondContact O-OG 3.49Å
102K93.7Very high90.3Very high142 Ų142131 Ų13162%0.61761%0.612SS**Hα-helixtrans-65.2-30.1174.9-74.8175.9-178.6-177.60113.9D98 I99 S105 K106D98-K102 WeakPolarHBondContact O-CB 3.39Å; D98-K102 VanDerWaalsContact O-CG 3.24Å; D98-K102 WeakPolarHBondContact O-CG 3.3Å; D98-K102 PolarHBondContact O-N 2.94Å; I99-K102 PolarHBondContact O-N 3.46Å; K102-S105 PolarHBondContact O-OG 3.31Å; K102-K106 VanDerWaalsContact O-CG 3.31Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å
103R92.4Very high89.9Confident182 Ų182128.6 Ų128.669%0.68761%0.613SS**Hα-helixtrans-72.1-47.9172.8-76.5177.9178.4-168-1.1110I99 R100 A101 S105 K106 L107I99-R103 WeakPolarHBondContact O-CG 3.25Å; I99-R103 PolarHBondContact O-N 3.13Å; R100-R103 PolarHBondContact O-N 3Å; A101-R103 VanDerWaalsContact C-N 3.31Å; A101-R103 PolarHBondContact O-N 3.33Å; R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 3.15Å; R103-K106 PolarHBondContact O-N 3.04Å; R103-K106 VanDerWaalsContact O-N 3.15Å; R103-L107 WeakPolarHBondContact O-CD1 3.21Å; R103-L107 PolarHBondContact O-N 3.46Å
104L89Confident89.7Confident120 Ų120125.6 Ų125.663%0.62860%0.603SS**Hα-helixtrans-62.2-39.2179.7-171.361.2000112.1R100 A101 K106 L107R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 3.1Å; A101-L104 PolarHBondContact O-N 3.07Å; L104-K106 PolarHBondContact O-N 3.45Å; L104-L107 HydrophobicContact CD1-CD2 4.49Å; L104-L107 PolarHBondContact O-N 3.15Å
105S87Confident89.6Confident92 Ų92121.8 Ų121.864%0.64360%0.6SS**THydrogen-bonded Turntrans-67.3-18.1177.972.80000114.1A101 K102 R103A101-S105 WeakPolarHBondContact O-CB 3.39Å; A101-S105 PolarHBondContact O-N 3.01Å; A101-S105 PolarHBondContact O-OG 3.49Å; K102-S105 PolarHBondContact O-OG 3.31Å; R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 3.15Å
106K89.1Confident89.5Confident174 Ų174121.8 Ų121.876%0.75760%0.602SS**THydrogen-bonded Turntrans-92.8-10.5177.8-72.1179.1-178.9-167.90113.2K102 R103 L104K102-K106 VanDerWaalsContact O-CG 3.31Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å; R103-K106 PolarHBondContact O-N 3.04Å; R103-K106 VanDerWaalsContact O-N 3.15Å; L104-K106 PolarHBondContact O-N 3.45Å
107L86.2Confident89.5Confident104 Ų104121.2 Ų121.255%0.54560%0.596SS.*SBendtrans-67.4140.5174.8-91.666.8000108.6R103 L104 K109R103-L107 WeakPolarHBondContact O-CD1 3.21Å; R103-L107 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD1-CD2 4.49Å; L104-L107 PolarHBondContact O-N 3.15Å; L107-K109 PolarHBondContact O-N 2.7Å
108P83.8Confident89.4Confident121 Ų121118.9 Ų118.979%0.78659%0.587SS**  trans-54128171.5-21.631.7000109.4H110P108-H110 PolarHBondContact O-N 2.8Å; P108-H110 VanDerWaalsContact O-N 3.15Å
109K80.8Confident89.4Confident156 Ų156123.7 Ų123.768%0.67860%0.599SS**  trans-71.6107.2169.2-64.1-175.7-179.3-174.80106.8L107 N111L107-K109 PolarHBondContact O-N 2.7Å; K109-N111 PolarHBondContact O-N 2.98Å
110H80.8Confident89.4Confident151 Ų151122.8 Ų122.870%0.69960%0.598SS**  trans-83.6106.5171.5178.5-79000107.7P108 F112P108-H110 PolarHBondContact O-N 2.8Å; P108-H110 VanDerWaalsContact O-N 3.15Å; H110-F112 AromaticContact CE1-CD2 3.95Å; H110-F112 PolarHBondContact O-N 3.12Å
111N80.7Confident89.4Confident120 Ų120117.3 Ų117.364%0.64258%0.579SS**  trans-75.2116.2167-65.8-10.3000106.9K109 D113K109-N111 PolarHBondContact O-N 2.98Å; N111-D113 PolarHBondContact O-N 2.97Å
112F85.6Confident89.4Confident107 Ų107121.1 Ų121.147%0.46959%0.588SS.*  trans-92.689.9176.6178.8-96.6000107.2H110 D114 Y117H110-F112 AromaticContact CE1-CD2 3.95Å; H110-F112 PolarHBondContact O-N 3.12Å; F112-D114 HydrophobicContact CD1-CB 4.42Å; F112-D114 HydrophobicContact CE1-CB 3.7Å; F112-D114 HydrophobicContact CE2-CB 4.27Å; F112-D114 HydrophobicContact CZ-CB 3.61Å; F112-Y117 HydrophobicContact CD1-CD1 4.11Å; F112-Y117 HydrophobicContact CD1-CE1 4.44Å; F112-Y117 HydrophobicContact CD1-CG 4.46Å; F112-Y117 AromaticContact CE1-CD1 3.45Å; F112-Y117 HydrophobicContact CE1-CD1 3.45Å; F112-Y117 VanDerWaalsContact CE1-CD1 3.45Å; F112-Y117 HydrophobicContact CE1-CD2 4Å; F112-Y117 HydrophobicContact CE1-CE1 4.04Å; F112-Y117 AromaticContact CE1-CG 3.4Å; F112-Y117 HydrophobicContact CE1-CG 3.4Å; F112-Y117 VanDerWaalsContact CE1-CG 3.4Å; F112-Y117 HydrophobicContact CZ-CD1 4.45Å; F112-Y117 HydrophobicContact CZ-CD2 4.28Å; F112-Y117 AromaticContact CZ-CG 3.99Å; F112-Y117 HydrophobicContact CZ-CG 3.99Å
113D86.2Confident89.5Confident142 Ų142118.6 Ų118.676%0.75958%0.584SS**  trans-99.585.2-178.4-59-29.3000108.6N111N111-D113 PolarHBondContact O-N 2.97Å
114D91.8Very high89.7Confident59 Ų59114.7 Ų114.732%0.31658%0.576SS.*  trans-127.4103.8177.4-175-11.6000110.8F112 E116 Y117 D118F112-D114 HydrophobicContact CD1-CB 4.42Å; F112-D114 HydrophobicContact CE1-CB 3.7Å; F112-D114 HydrophobicContact CE2-CB 4.27Å; F112-D114 HydrophobicContact CZ-CB 3.61Å; D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 WeakPolarHBondContact OD1-CB 3.32Å; D114-E116 PolarHBondContact OD1-N 3.09Å; D114-Y117 WeakPolarHBondContact O-CB 3.34Å; D114-Y117 PolarHBondContact O-N 3.42Å; D114-Y117 PolarHBondContact OD1-N 2.99Å; D114-D118 PolarHBondContact O-N 3.47Å
115P92.7Very high89.9Confident86 Ų86113.1 Ų113.156%0.55857%0.567SS**Hα-helixtrans-62.4-26.9-179.7-23.433.7000114.6R119P115-R119 VanDerWaalsContact O-CG 3.28Å; P115-R119 WeakPolarHBondContact O-CG 3.06Å; P115-R119 PolarHBondContact O-N 3.32Å
116E94.4Very high90.3Very high143 Ų143111.3 Ų111.367%0.66856%0.558SS**Hα-helixtrans-72.4-42.3177.4-170.4-179174.800110.2D114 R119 T120D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 WeakPolarHBondContact OD1-CB 3.32Å; D114-E116 PolarHBondContact OD1-N 3.09Å; E116-R119 PolarHBondContact O-N 3.01Å; E116-T120 WeakPolarHBondContact O-CG2 3.16Å; E116-T120 PolarHBondContact O-N 3.21Å; E116-T120 PolarHBondContact O-OG1 2.99Å
117Y93.4Very high90.6Very high113 Ų113109.5 Ų109.544%0.44355%0.552SS.*Hα-helixtrans-61.3-45.4172.9178.5-94.2000112.1F112 D114 R119 T120 K121F112-Y117 HydrophobicContact CD1-CD1 4.11Å; F112-Y117 HydrophobicContact CD1-CE1 4.44Å; F112-Y117 HydrophobicContact CD1-CG 4.46Å; F112-Y117 AromaticContact CE1-CD1 3.45Å; F112-Y117 HydrophobicContact CE1-CD1 3.45Å; F112-Y117 VanDerWaalsContact CE1-CD1 3.45Å; F112-Y117 HydrophobicContact CE1-CD2 4Å; F112-Y117 HydrophobicContact CE1-CE1 4.04Å; F112-Y117 AromaticContact CE1-CG 3.4Å; F112-Y117 HydrophobicContact CE1-CG 3.4Å; F112-Y117 VanDerWaalsContact CE1-CG 3.4Å; F112-Y117 HydrophobicContact CZ-CD1 4.45Å; F112-Y117 HydrophobicContact CZ-CD2 4.28Å; F112-Y117 AromaticContact CZ-CG 3.99Å; F112-Y117 HydrophobicContact CZ-CG 3.99Å; D114-Y117 WeakPolarHBondContact O-CB 3.34Å; D114-Y117 PolarHBondContact O-N 3.42Å; D114-Y117 PolarHBondContact OD1-N 2.99Å; Y117-R119 VanDerWaalsContact C-N 3.28Å; Y117-R119 PolarHBondContact O-N 3.17Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.45Å; Y117-T120 PolarHBondContact O-N 3.49Å; Y117-T120 PolarHBondContact O-OG1 3.5Å; Y117-K121 HydrophobicContact CE1-CB 4.37Å; Y117-K121 HydrophobicContact CE1-CD 4.12Å; Y117-K121 VanDerWaalsContact O-CB 3.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.48Å; Y117-K121 PolarHBondContact O-N 2.87Å
118D92.8Very high91Very high70 Ų70107.5 Ų107.537%0.37455%0.545SS..Hα-helixtrans-60.9-39.5-180-72.7-27.2000112D114 Q122D114-D118 PolarHBondContact O-N 3.47Å; D118-Q122 WeakPolarHBondContact O-CB 3.49Å; D118-Q122 VanDerWaalsContact O-CG 3.26Å; D118-Q122 WeakPolarHBondContact O-CG 3.26Å; D118-Q122 PolarHBondContact O-N 3.46Å
119R94.4Very high91.4Very high179 Ų179106 Ų10668%0.67553%0.53SS*.Hα-helixtrans-63.8-49.9174.4-73.4172.2-177.4177.22.4111.7P115 E116 Y117 K121 Q122 T123P115-R119 VanDerWaalsContact O-CG 3.28Å; P115-R119 WeakPolarHBondContact O-CG 3.06Å; P115-R119 PolarHBondContact O-N 3.32Å; E116-R119 PolarHBondContact O-N 3.01Å; Y117-R119 VanDerWaalsContact C-N 3.28Å; Y117-R119 PolarHBondContact O-N 3.17Å; R119-K121 VanDerWaalsContact C-N 3.33Å; R119-K121 PolarHBondContact O-N 3.12Å; R119-Q122 PolarHBondContact O-N 3.02Å; R119-T123 PolarHBondContact O-N 2.82Å; R119-T123 PolarHBondContact O-OG1 3.4Å; R119-T123 VanDerWaalsContact O-OG1 3.06Å
120T95.1Very high92Very high67 Ų67101.3 Ų101.341%0.41152%0.517SS..Hα-helixtrans-62.4-40.7179.653.20000111.7E116 Y117 Q122 T123 I124E116-T120 WeakPolarHBondContact O-CG2 3.16Å; E116-T120 PolarHBondContact O-N 3.21Å; E116-T120 PolarHBondContact O-OG1 2.99Å; Y117-T120 WeakPolarHBondContact CA-OG1 3.45Å; Y117-T120 PolarHBondContact O-N 3.49Å; Y117-T120 PolarHBondContact O-OG1 3.5Å; T120-Q122 PolarHBondContact O-N 2.78Å; T120-T123 PolarHBondContact O-N 3.5Å; T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.49Å; T120-I124 PolarHBondContact O-N 3.45Å
121K94.2Very high92.5Very high79 Ų7996.9 Ų96.934%0.34351%0.506SS..Hα-helixtrans-56.7-49172.3-179.7-175.7174.8-172.10111.3Y117 R119 T123 I124 L125 D158Y117-K121 HydrophobicContact CE1-CB 4.37Å; Y117-K121 HydrophobicContact CE1-CD 4.12Å; Y117-K121 VanDerWaalsContact O-CB 3.3Å; Y117-K121 WeakPolarHBondContact O-CB 3.48Å; Y117-K121 PolarHBondContact O-N 2.87Å; R119-K121 VanDerWaalsContact C-N 3.33Å; R119-K121 PolarHBondContact O-N 3.12Å; K121-T123 PolarHBondContact O-N 3.1Å; K121-I124 PolarHBondContact O-N 2.96Å; K121-L125 HydrophobicContact CG-CD1 4.1Å; K121-L125 WeakPolarHBondContact O-CG 3.07Å; K121-L125 PolarHBondContact O-N 2.6Å; K121-D158 IonicContact NZ-OD2 3.2Å
122Q94.1Very high93.1Very high137 Ų13796 Ų9664%0.6450%0.5SS*.Hα-helixtrans-61.6-42.3177.9-74.8173.49.400112.1D118 R119 T120 L125 A126D118-Q122 WeakPolarHBondContact O-CB 3.49Å; D118-Q122 VanDerWaalsContact O-CG 3.26Å; D118-Q122 WeakPolarHBondContact O-CG 3.26Å; D118-Q122 PolarHBondContact O-N 3.46Å; R119-Q122 PolarHBondContact O-N 3.02Å; T120-Q122 PolarHBondContact O-N 2.78Å; Q122-L125 PolarHBondContact O-N 3.2Å; Q122-A126 WeakPolarHBondContact O-CB 3.47Å; Q122-A126 PolarHBondContact O-N 2.78Å
123T95.9Very high93.3Very high88 Ų8897.7 Ų97.754%0.5451%0.51SS..Hα-helixtrans-61.7-47.7176.7-55.80000111.6R119 T120 K121 L125 A126 E127R119-T123 PolarHBondContact O-N 2.82Å; R119-T123 PolarHBondContact O-OG1 3.4Å; R119-T123 VanDerWaalsContact O-OG1 3.06Å; T120-T123 PolarHBondContact O-N 3.5Å; K121-T123 PolarHBondContact O-N 3.1Å; T123-L125 PolarHBondContact O-N 3.47Å; T123-A126 PolarHBondContact O-N 2.8Å; T123-E127 WeakPolarHBondContact O-CB 3.23Å; T123-E127 PolarHBondContact O-N 2.95Å
124I95.3Very high93.5Very high100 Ų10097.7 Ų97.751%0.51351%0.505SS..Hα-helixtrans-60.9-45.3179.2-68164.4000110.6T120 K121 E127 T128T120-I124 VanDerWaalsContact O-CG1 3.26Å; T120-I124 WeakPolarHBondContact O-CG1 3.49Å; T120-I124 PolarHBondContact O-N 3.45Å; K121-I124 PolarHBondContact O-N 2.96Å; I124-E127 PolarHBondContact O-N 2.84Å; I124-T128 HydrophobicContact CG2-CG2 4.42Å; I124-T128 WeakPolarHBondContact O-CG2 3.48Å; I124-T128 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-OG1 3.28Å
125L94.6Very high93.3Very high87 Ų8796.5 Ų96.546%0.45551%0.507SS..Hα-helixtrans-61.5-46.2178.6-73.6171.6000112K121 Q122 T123 E127 T128 D129K121-L125 HydrophobicContact CG-CD1 4.1Å; K121-L125 WeakPolarHBondContact O-CG 3.07Å; K121-L125 PolarHBondContact O-N 2.6Å; Q122-L125 PolarHBondContact O-N 3.2Å; T123-L125 PolarHBondContact O-N 3.47Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 2.84Å; L125-T128 WeakPolarHBondContact CA-OG1 3.19Å; L125-T128 PolarHBondContact O-N 3.09Å; L125-T128 PolarHBondContact O-OG1 3.22Å; L125-D129 WeakPolarHBondContact O-CB 3.15Å; L125-D129 VanDerWaalsContact O-CG 3.3Å; L125-D129 PolarHBondContact O-N 3.34Å
126A93.8Very high93Very high54 Ų5495.2 Ų95.245%0.44650%0.497SS..Hα-helixtrans-62.5-40.3178.200000112.4Q122 T123 S130Q122-A126 WeakPolarHBondContact O-CB 3.47Å; Q122-A126 PolarHBondContact O-N 2.78Å; T123-A126 PolarHBondContact O-N 2.8Å; A126-S130 WeakPolarHBondContact O-CB 3.44Å; A126-S130 PolarHBondContact O-N 3.27Å; A126-S130 PolarHBondContact O-OG 2.84Å
127E95.2Very high92.6Very high137 Ų13792 Ų9264%0.6449%0.489SS*.Hα-helixtrans-66.9-41.4176.1-172.3175.6-174.800111.5T123 I124 L125 S130 A131T123-E127 WeakPolarHBondContact O-CB 3.23Å; T123-E127 PolarHBondContact O-N 2.95Å; I124-E127 PolarHBondContact O-N 2.84Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 2.84Å; E127-S130 PolarHBondContact O-N 2.75Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.91Å
128T95.2Very high92.2Very high62 Ų6295.3 Ų95.338%0.3850%0.502SS..Hα-helixtrans-65.6-41.9176.351.20000112.5I124 L125 A131 I132I124-T128 HydrophobicContact CG2-CG2 4.42Å; I124-T128 WeakPolarHBondContact O-CG2 3.48Å; I124-T128 PolarHBondContact O-N 2.88Å; I124-T128 PolarHBondContact O-OG1 3.28Å; L125-T128 WeakPolarHBondContact CA-OG1 3.19Å; L125-T128 PolarHBondContact O-N 3.09Å; L125-T128 PolarHBondContact O-OG1 3.22Å; T128-A131 PolarHBondContact O-N 3.14Å; T128-I132 VanDerWaalsContact O-CG1 3.25Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.79Å
129D92.8Very high91.8Very high89 Ų8994.2 Ų94.248%0.47650%0.503SS..Hα-helixtrans-64.9-44.3178.2-71-17.1000110.2L125 A131 I132 E133L125-D129 WeakPolarHBondContact O-CB 3.15Å; L125-D129 VanDerWaalsContact O-CG 3.3Å; L125-D129 PolarHBondContact O-N 3.34Å; D129-A131 PolarHBondContact O-N 2.97Å; D129-I132 PolarHBondContact O-N 3.39Å; D129-E133 WeakPolarHBondContact O-CG 3.48Å; D129-E133 PolarHBondContact O-N 3.16Å
130S92.7Very high91.2Very high57 Ų5787.4 Ų87.440%0.39948%0.482SS..Hα-helixtrans-60.3-43.8175.9-59.90000111.8A126 E127 I132 E133 E134A126-S130 WeakPolarHBondContact O-CB 3.44Å; A126-S130 PolarHBondContact O-N 3.27Å; A126-S130 PolarHBondContact O-OG 2.84Å; E127-S130 PolarHBondContact O-N 2.75Å; S130-I132 PolarHBondContact O-N 3.45Å; S130-E133 PolarHBondContact O-N 2.58Å; S130-E134 WeakPolarHBondContact O-CB 3.34Å; S130-E134 WeakPolarHBondContact O-CG 3.42Å; S130-E134 PolarHBondContact O-N 3.17Å
131A92.6Very high90.6Very high58 Ų5891.3 Ų91.348%0.47950%0.495SS..Hα-helixtrans-65.7-35.9177.300000112.9E127 T128 D129 G135E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 2.91Å; T128-A131 PolarHBondContact O-N 3.14Å; D129-A131 PolarHBondContact O-N 2.97Å; A131-G135 PolarHBondContact O-N 3.23Å
132I91.9Very high90Very high101 Ų10193.2 Ų93.252%0.51851%0.513SS..Hα-helixtrans-67.1-46.3174-70.1166.8000109.8T128 D129 S130 E134 G135 T136T128-I132 VanDerWaalsContact O-CG1 3.25Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 2.79Å; D129-I132 PolarHBondContact O-N 3.39Å; S130-I132 PolarHBondContact O-N 3.45Å; I132-E134 VanDerWaalsContact C-N 3.32Å; I132-E134 PolarHBondContact O-N 3.19Å; I132-G135 PolarHBondContact O-N 3.17Å; I132-T136 HydrophobicContact CG2-CG2 3.72Å; I132-T136 VanDerWaalsContact O-CB 3.27Å; I132-T136 WeakPolarHBondContact O-CB 3.43Å; I132-T136 WeakPolarHBondContact O-CG2 3.21Å; I132-T136 PolarHBondContact O-N 3.14Å; I132-T136 PolarHBondContact O-OG1 2.81Å
133E89.6Confident89.4Confident143 Ų14392.4 Ų92.467%0.66851%0.512SS*.Hα-helixtrans-60.2-40.4177.1-74.3-179.8-178.900112.3D129 S130 T136 P137D129-E133 WeakPolarHBondContact O-CG 3.48Å; D129-E133 PolarHBondContact O-N 3.16Å; S130-E133 PolarHBondContact O-N 2.58Å; E133-T136 PolarHBondContact O-OG1 3.46Å; E133-T136 VanDerWaalsContact O-OG1 3.09Å; E133-P137 WeakPolarHBondContact O-CD 3.36Å
134E90.3Very high88.5Confident143 Ų14390.9 Ų90.967%0.66851%0.514SS*.Hα-helixtrans-70.1-38.5175.6-72.4178.9-168.100112.7S130 I132 P137 Y138S130-E134 WeakPolarHBondContact O-CB 3.34Å; S130-E134 WeakPolarHBondContact O-CG 3.42Å; S130-E134 PolarHBondContact O-N 3.17Å; I132-E134 VanDerWaalsContact C-N 3.32Å; I132-E134 PolarHBondContact O-N 3.19Å; E134-P137 WeakPolarHBondContact O-CD 3.34Å; E134-P137 WeakPolarHBondContact O-CG 3.28Å; E134-Y138 VanDerWaalsContact O-CD2 3.22Å; E134-Y138 WeakPolarHBondContact O-CD2 3.41Å
135G88.6Confident87.3Confident33 Ų3389.8 Ų89.834%0.3451%0.509SS..Hα-helixtrans-84-30.8-175.400000115A131 I132 Y138 A139A131-G135 PolarHBondContact O-N 3.23Å; I132-G135 PolarHBondContact O-N 3.17Å; G135-Y138 PolarHBondContact O-N 2.8Å; G135-A139 PolarHBondContact O-N 3.45Å
136T87.2Confident85.9Confident59 Ų5991.3 Ų91.336%0.36252%0.518SS..Hα-helixtrans-52.8-46.9179.143.10000114.2I132 E133 Y138 A139 C140I132-T136 HydrophobicContact CG2-CG2 3.72Å; I132-T136 VanDerWaalsContact O-CB 3.27Å; I132-T136 WeakPolarHBondContact O-CB 3.43Å; I132-T136 WeakPolarHBondContact O-CG2 3.21Å; I132-T136 PolarHBondContact O-N 3.14Å; I132-T136 PolarHBondContact O-OG1 2.81Å; E133-T136 PolarHBondContact O-OG1 3.46Å; E133-T136 VanDerWaalsContact O-OG1 3.09Å; T136-Y138 PolarHBondContact O-N 3.48Å; T136-A139 PolarHBondContact O-N 2.91Å; T136-C140 WeakPolarHBondContact O-CB 3.35Å; T136-C140 PolarHBondContact O-N 2.82Å; T136-C140 PolarHBondContact O-SG 3.25Å; T136-C140 VanDerWaalsContact O-SG 3.37Å
137P84.7Confident84.3Confident75 Ų7596.6 Ų96.649%0.48754%0.538SS..Hα-helixtrans-64.3-38.8178.824.7-35000112.5E133 E134 H141E133-P137 WeakPolarHBondContact O-CD 3.36Å; E134-P137 WeakPolarHBondContact O-CD 3.34Å; E134-P137 WeakPolarHBondContact O-CG 3.28Å; P137-H141 WeakPolarHBondContact O-CB 3.23Å; P137-H141 PolarHBondContact O-N 2.96Å; P137-H141 VanDerWaalsContact O-N 3.07Å
138Y85Confident82.6Confident184 Ų18494.9 Ų94.972%0.72253%0.532SS*.Hα-helixtrans-65.9-41.2175.6-68.1-77000111.6E134 G135 T136 H141 V142E134-Y138 VanDerWaalsContact O-CD2 3.22Å; E134-Y138 WeakPolarHBondContact O-CD2 3.41Å; G135-Y138 PolarHBondContact O-N 2.8Å; T136-Y138 PolarHBondContact O-N 3.48Å; Y138-H141 PolarHBondContact O-N 3.42Å; Y138-V142 VanDerWaalsContact O-CG2 3.3Å; Y138-V142 WeakPolarHBondContact O-CG2 3.49Å; Y138-V142 PolarHBondContact O-N 3.05Å
139A83.9Confident80.8Confident47 Ų4798.8 Ų98.839%0.38855%0.551SS.*Hα-helixtrans-66-43.6177.500000112.2G135 T136 H141 V142 L143G135-A139 PolarHBondContact O-N 3.45Å; T136-A139 PolarHBondContact O-N 2.91Å; A139-H141 VanDerWaalsContact C-N 3.33Å; A139-H141 PolarHBondContact O-N 2.71Å; A139-V142 PolarHBondContact O-N 3.06Å; A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 3.09Å
140C82.9Confident79.1Confident36 Ų3699.3 Ų99.324%0.24356%0.558CS.*Hα-helixtrans-57.9-45.6174.9-75.30000111.5T136 V142 L143 G144 L145T136-C140 WeakPolarHBondContact O-CB 3.35Å; T136-C140 PolarHBondContact O-N 2.82Å; T136-C140 PolarHBondContact O-SG 3.25Å; T136-C140 VanDerWaalsContact O-SG 3.37Å; C140-V142 PolarHBondContact O-N 3.13Å; C140-L143 PolarHBondContact O-N 2.96Å; C140-G144 PolarHBondContact O-N 3.49Å; C140-L145 PolarHBondContact O-N 3.04Å; C140-L145 VanDerWaalsContact O-N 3.15Å
141H81.4Confident77.2Confident149 Ų149103 Ų10369%0.6957%0.572SS**Hα-helixtrans-64.7-39.4178.5-177.4-84.9000112.9P137 Y138 A139P137-H141 WeakPolarHBondContact O-CB 3.23Å; P137-H141 PolarHBondContact O-N 2.96Å; P137-H141 VanDerWaalsContact O-N 3.07Å; Y138-H141 PolarHBondContact O-N 3.42Å; A139-H141 VanDerWaalsContact C-N 3.33Å; A139-H141 PolarHBondContact O-N 2.71Å
142V83.5Confident75.2Confident119 Ų119108.4 Ų108.472%0.72159%0.593SS**Hα-helixtrans-71.2-31.7178.2171.50000112.2Y138 A139 C140Y138-V142 VanDerWaalsContact O-CG2 3.3Å; Y138-V142 WeakPolarHBondContact O-CG2 3.49Å; Y138-V142 PolarHBondContact O-N 3.05Å; A139-V142 PolarHBondContact O-N 3.06Å; C140-V142 PolarHBondContact O-N 3.13Å
143L80.4Confident73Confident119 Ų119108.1 Ų108.162%0.62360%0.6SS**Hα-helixtrans-93.6-6.1-176.8-64.8174.4000114.1A139 C140 L145A139-L143 WeakPolarHBondContact O-CB 3.37Å; A139-L143 WeakPolarHBondContact O-CG 3.49Å; A139-L143 PolarHBondContact O-N 3.09Å; C140-L143 PolarHBondContact O-N 2.96Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD1 3.96Å; L143-L145 HydrophobicContact CB-CG 3.95Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å
144G77.1Confident71.2Confident56 Ų56105.5 Ų105.558%0.57760%0.597SS**THydrogen-bonded Turntrans64.837.2-178.400000112.9C140C140-G144 PolarHBondContact O-N 3.49Å
145L69.7Low69.2Low77 Ų77104.4 Ų104.440%0.40361%0.605SS.*  trans-107.246.7-178.2-61.9177.1000111.1C140 L143 D147 I148C140-L145 PolarHBondContact O-N 3.04Å; C140-L145 VanDerWaalsContact O-N 3.15Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 HydrophobicContact CB-CD1 3.96Å; L143-L145 HydrophobicContact CB-CG 3.95Å; L143-L145 HydrophobicContact CD1-CD1 4.27Å; L145-D147 PolarHBondContact O-N 3.45Å; L145-I148 HydrophobicContact CB-CD1 4.29Å; L145-I148 HydrophobicContact CD1-CD1 4.31Å; L145-I148 HydrophobicContact CD2-CD1 4.05Å; L145-I148 HydrophobicContact CG-CD1 4.45Å
146D65.8Low67.4Low120 Ų120109.5 Ų109.564%0.64263%0.625SS**THydrogen-bonded Turntrans-70.5-10.4-174.3-59.3-39.7000113.5
147D60.3Low65.7Low164 Ų164111.7 Ų111.788%0.87764%0.642SS**THydrogen-bonded Turntrans-110.610.8-175.1-67.5-40.7000114.4L145L145-D147 PolarHBondContact O-N 3.45Å
148I58.9Low64.1Low101 Ų101114.6 Ų114.652%0.51865%0.654SS.*  trans-95.3104.1173.2-57.4-177.6000108.1L145 V150L145-I148 HydrophobicContact CB-CD1 4.29Å; L145-I148 HydrophobicContact CD1-CD1 4.31Å; L145-I148 HydrophobicContact CD2-CD1 4.05Å; L145-I148 HydrophobicContact CG-CD1 4.45Å; I148-V150 HydrophobicContact CG2-CG2 4.13Å; I148-V150 PolarHBondContact O-N 2.72Å
149D57.9Low62.4Low144 Ų144110.4 Ų110.477%0.7765%0.652SS**  trans-53.994.3152.8-78.4-35000106.4L151D149-L151 HydrophobicContact CB-CG 4.28Å; D149-L151 PolarHBondContact O-N 3.43Å
150V57.4Low60.4Low101 Ų101112 Ų11261%0.61267%0.672SS**  trans-68.180.9165.5-179.10000104.3I148 N152I148-V150 HydrophobicContact CG2-CG2 4.13Å; I148-V150 PolarHBondContact O-N 2.72Å; V150-N152 PolarHBondContact O-N 3.36Å
151L52.2Low58.5Low133 Ų133118.6 Ų118.670%0.69670%0.699SS**  trans-56.4107.2177-81.5166.5000106.4D149 S153D149-L151 HydrophobicContact CB-CG 4.28Å; D149-L151 PolarHBondContact O-N 3.43Å; L151-S153 WeakPolarHBondContact O-CB 3.32Å; L151-S153 PolarHBondContact O-N 3.19Å; L151-S153 PolarHBondContact O-OG 2.99Å
152N49.9Very low56.5Low173 Ų173115.1 Ų115.193%0.92570%0.704SS**  trans-32.989.1151.6-72.7-26.4000108.8V150V150-N152 PolarHBondContact O-N 3.36Å
153S46.1Very low54.7Low94 Ų94113.9 Ų113.966%0.65770%0.701SS**  trans-129.8122.3178.452.70000106.4L151L151-S153 WeakPolarHBondContact O-CB 3.32Å; L151-S153 PolarHBondContact O-N 3.19Å; L151-S153 PolarHBondContact O-OG 2.99Å
154S51.6Low53.2Low88 Ų88112.2 Ų112.262%0.61570%0.704SS**  trans70.769.5178.262.50000116.7D156S154-D156 PolarHBondContact O-N 3.46Å
155S47.7Very low51.9Low120 Ų120116.3 Ų116.384%0.83972%0.718SS**  trans-6272.9131.5330000108.9S157S155-S157 VanDerWaalsContact C-N 3.3Å; S155-S157 PolarHBondContact O-N 3.37Å
156D52.3Low51.1Low140 Ų140118.4 Ų118.475%0.74974%0.739SS**  trans-73.491.7170.8-82.2-17.9000107.5S154 D158S154-D156 PolarHBondContact O-N 3.46Å; D156-D158 PolarHBondContact O-N 3.29Å
157S51.1Low50.1Low105 Ų105126 Ų12673%0.73477%0.767SS**  trans-60.5105.7164.8-62.10000108S155 S159S155-S157 VanDerWaalsContact C-N 3.3Å; S155-S157 PolarHBondContact O-N 3.37Å; S157-S159 PolarHBondContact O-N 3.19Å
158D50.6Low49.6Very low137 Ų137124.2 Ų124.273%0.73376%0.761SS**  trans-66.377.2169.2-172.528.6000108.8K121 D156 G160K121-D158 IonicContact NZ-OD2 3.2Å; D156-D158 PolarHBondContact O-N 3.29Å; D158-G160 PolarHBondContact O-N 3.35Å
159S49Very low49.1Very low96 Ų96125.4 Ų125.467%0.67177%0.774SS**  trans-79.2102.6166.650.60000108.2S157 E161S157-S159 PolarHBondContact O-N 3.19Å; S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 PolarHBondContact O-N 2.94Å
160G42.8Very low48.6Very low79 Ų79124.3 Ų124.381%0.81477%0.774SS**  trans-62.388.5171.600000111.7D158D158-G160 PolarHBondContact O-N 3.35Å
161E43.3Very low48.1Very low175 Ų175125.7 Ų125.782%0.81878%0.784SS**  trans-99.486.6164.3-78.7-163.5164.600110.7S159 S163S159-E161 VanDerWaalsContact C-N 3.32Å; S159-E161 PolarHBondContact O-N 2.94Å; E161-S163 PolarHBondContact O-N 2.87Å
162G39.9Very low47.8Very low76 Ų76125.3 Ų125.378%0.78479%0.789SS**  trans-82.474.1163.300000111.7
163S44.2Very low47.7Very low94 Ų94122.1 Ų122.166%0.65778%0.78SS**  trans-117.2105.5163.878.60000110.9E161 T165E161-S163 PolarHBondContact O-N 2.87Å; S163-T165 PolarHBondContact O-N 3.24Å
164A49Very low47.8Very low83 Ų83124.1 Ų124.169%0.68679%0.789SS**  trans-81.1112.3173.900000108.8
165T49.5Very low47.5Very low143 Ų143126.8 Ų126.888%0.87780%0.802SS**  trans-98.1122.916436.40000109.6S163S163-T165 PolarHBondContact O-N 3.24Å
166S54.2Low47.5Very low121 Ų121127.4 Ų127.485%0.84680%0.799SS**  trans-104.8124.9178.8-1750000108.9
167K43.9Very low47Very low280 Ų280126.3 Ų126.3100%1.21780%0.803SS**  trans-144.60153.7-86.6-171.1178.4176.70108.1

Retrieved 167 of 167 residues in 127.3 ms (Link to these results)

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