A0A077ZLS1_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M77.9Confident89.9Confident153 Ų15363.2 Ų63.275%0.75433%0.333SS*.  0111.50-177-177.1-66.900108.3F6 T30M1-F6 HydrophobicContact CG-CB 4.35Å; M1-F6 HydrophobicContact SD-CB 4.01Å; M1-F6 HydrophobicContact SD-CD2 4.37Å; M1-T30 PolarHBondContact O-OG1 2.94Å
2D90.4Very high90.1Very high84 Ų8471.2 Ų71.245%0.44936%0.355SS..  trans-79175.117163.783.3000111.4H4 S5 F6D2-H4 WeakPolarHBondContact OD1-CA 3.48Å; D2-H4 VanDerWaalsContact OD1-CB 3.29Å; D2-H4 WeakPolarHBondContact OD1-CB 3.49Å; D2-H4 PolarHBondContact OD1-N 2.87Å; D2-S5 PolarHBondContact OD1-N 3.18Å; D2-S5 PolarHBondContact OD1-OG 2.82Å; D2-S5 WeakPolarHBondContact OD2-CB 3.25Å; D2-S5 PolarHBondContact OD2-OG 3.25Å; D2-F6 PolarHBondContact O-N 2.95Å
3L87.9Confident90.3Very high61 Ų6172.7 Ų72.732%0.31936%0.359SS..Hα-helixtrans-65.8-36.5-178.3177.766.5000113.6F6 S7 A34 L37L3-F6 HydrophobicContact CD1-CD1 4.47Å; L3-F6 PolarHBondContact O-N 3.1Å; L3-S7 PolarHBondContact O-N 2.87Å; L3-S7 PolarHBondContact O-OG 3.42Å; L3-A34 HydrophobicContact CD1-CB 3.73Å; L3-L37 HydrophobicContact CD1-CD1 4.36Å; L3-L37 HydrophobicContact CD2-CD1 3.23Å; L3-L37 HydrophobicContact CG-CD1 4.31Å
4H88.5Confident90.5Very high138 Ų13868.2 Ų68.264%0.63934%0.337SS*.Hα-helixtrans-68-44.7179-178.977.2000110.5D2 F6 S7 G8D2-H4 WeakPolarHBondContact OD1-CA 3.48Å; D2-H4 VanDerWaalsContact OD1-CB 3.29Å; D2-H4 WeakPolarHBondContact OD1-CB 3.49Å; D2-H4 PolarHBondContact OD1-N 2.87Å; H4-F6 VanDerWaalsContact C-N 3.32Å; H4-F6 PolarHBondContact O-N 3.28Å; H4-S7 PolarHBondContact O-N 3.23Å; H4-G8 PolarHBondContact O-N 2.97Å
5S91.6Very high90.5Very high54 Ų5469 Ų6938%0.37836%0.358SS..Hα-helixtrans-57.5-43172.8-67.10000112.2D2 G8 A9D2-S5 PolarHBondContact OD1-N 3.18Å; D2-S5 PolarHBondContact OD1-OG 2.82Å; D2-S5 WeakPolarHBondContact OD2-CB 3.25Å; D2-S5 PolarHBondContact OD2-OG 3.25Å; S5-G8 PolarHBondContact O-N 2.8Å; S5-A9 PolarHBondContact O-N 2.98Å
6F91.7Very high90.5Very high20 Ų2073.9 Ų73.99%0.08837%0.371CS..Hα-helixtrans-62.7-48.8174.6169.9-102.9000112M1 D2 L3 H4 G8 A9 L10 T30 F31 A34 W54M1-F6 HydrophobicContact CG-CB 4.35Å; M1-F6 HydrophobicContact SD-CB 4.01Å; M1-F6 HydrophobicContact SD-CD2 4.37Å; D2-F6 PolarHBondContact O-N 2.95Å; L3-F6 HydrophobicContact CD1-CD1 4.47Å; L3-F6 PolarHBondContact O-N 3.1Å; H4-F6 VanDerWaalsContact C-N 3.32Å; H4-F6 PolarHBondContact O-N 3.28Å; F6-G8 VanDerWaalsContact C-N 3.29Å; F6-G8 PolarHBondContact O-N 2.85Å; F6-A9 WeakPolarHBondContact O-CB 3.42Å; F6-A9 PolarHBondContact O-N 3.24Å; F6-L10 HydrophobicContact CE1-CD2 4.1Å; F6-L10 HydrophobicContact CZ-CB 4.26Å; F6-L10 HydrophobicContact CZ-CD2 3.98Å; F6-L10 PolarHBondContact O-N 3.04Å; F6-T30 HydrophobicContact CB-CG2 3.66Å; F6-T30 HydrophobicContact CG-CG2 4.16Å; F6-F31 AromaticContact CD2-CD1 3.98Å; F6-F31 HydrophobicContact CD2-CD1 3.98Å; F6-F31 AromaticContact CD2-CE1 3.6Å; F6-F31 HydrophobicContact CD2-CE1 3.6Å; F6-F31 AromaticContact CE2-CD1 3.71Å; F6-F31 HydrophobicContact CE2-CD1 3.71Å; F6-F31 AromaticContact CE2-CE1 3.47Å; F6-F31 HydrophobicContact CE2-CE1 3.47Å; F6-F31 VanDerWaalsContact CE2-CE1 3.47Å; F6-F31 HydrophobicContact CZ-CD1 4.13Å; F6-F31 HydrophobicContact CZ-CE1 4.33Å; F6-A34 HydrophobicContact CD1-CB 3.82Å; F6-A34 HydrophobicContact CE1-CB 3.57Å; F6-W54 AromaticContact CE1-CH2 3.81Å; F6-W54 HydrophobicContact CE1-CH2 3.81Å; F6-W54 AromaticContact CZ-CH2 3.54Å; F6-W54 HydrophobicContact CZ-CH2 3.54Å; F6-W54 HydrophobicContact CZ-CZ2 4.32Å; F6-W54 HydrophobicContact CZ-CZ3 4.41Å
7S90.3Very high90.3Very high5 Ų573.5 Ų73.54%0.03537%0.366CS..Hα-helixtrans-56.8-43.7177-69.20000111.3L3 H4 A9 L10 R11L3-S7 PolarHBondContact O-N 2.87Å; L3-S7 PolarHBondContact O-OG 3.42Å; H4-S7 PolarHBondContact O-N 3.23Å; S7-A9 PolarHBondContact O-N 3.5Å; S7-L10 PolarHBondContact O-N 3.38Å; S7-R11 WeakPolarHBondContact O-CB 3.42Å; S7-R11 WeakPolarHBondContact O-CG 3.26Å; S7-R11 PolarHBondContact O-N 3Å
8G92.2Very high90.1Very high20 Ų2079.4 Ų79.421%0.20638%0.383CS..Hα-helixtrans-59.6-44.3173.400000113H4 S5 F6 R11 R12H4-G8 PolarHBondContact O-N 2.97Å; S5-G8 PolarHBondContact O-N 2.8Å; F6-G8 VanDerWaalsContact C-N 3.29Å; F6-G8 PolarHBondContact O-N 2.85Å; G8-R11 PolarHBondContact O-N 2.99Å; G8-R12 WeakPolarHBondContact O-CG 3.19Å; G8-R12 PolarHBondContact O-N 3.22Å
9A92.9Very high90.1Very high38 Ų3878.2 Ų78.231%0.31438%0.383SS..Hα-helixtrans-63.4-45176.700000112.3S5 F6 S7 R11 R12 F13S5-A9 PolarHBondContact O-N 2.98Å; F6-A9 WeakPolarHBondContact O-CB 3.42Å; F6-A9 PolarHBondContact O-N 3.24Å; S7-A9 PolarHBondContact O-N 3.5Å; A9-R11 VanDerWaalsContact C-N 3.34Å; A9-R11 PolarHBondContact O-N 2.82Å; A9-R12 PolarHBondContact O-N 3.22Å; A9-F13 PolarHBondContact O-N 2.98Å
10L92.6Very high90.2Very high15 Ų1575.8 Ų75.88%0.07937%0.374CS..Hα-helixtrans-63.3-40.3177.2-177.359.1000111.5F6 S7 F13 I14 I23 L47 F52F6-L10 HydrophobicContact CE1-CD2 4.1Å; F6-L10 HydrophobicContact CZ-CB 4.26Å; F6-L10 HydrophobicContact CZ-CD2 3.98Å; F6-L10 PolarHBondContact O-N 3.04Å; S7-L10 PolarHBondContact O-N 3.38Å; L10-F13 WeakPolarHBondContact O-CB 3.38Å; L10-F13 PolarHBondContact O-N 2.91Å; L10-I14 HydrophobicContact CD1-CD1 4.09Å; L10-I14 HydrophobicContact CD1-CG1 4.27Å; L10-I14 HydrophobicContact CG-CD1 3.94Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I23 HydrophobicContact CD1-CD1 4.17Å; L10-I23 HydrophobicContact CD2-CD1 4.38Å; L10-L47 HydrophobicContact CD2-CD1 3.98Å; L10-L47 HydrophobicContact CD2-CD2 3.99Å; L10-L47 HydrophobicContact CG-CD2 4.16Å; L10-F52 HydrophobicContact CD2-CE2 3.89Å; L10-F52 HydrophobicContact CD2-CZ 4.3Å
11R92.8Very high90.3Very high107 Ų10776.9 Ų76.940%0.40439%0.389SS..Hα-helixtrans-58.2-48.5173.3-73.3175.564.6152.7-0.5111.9S7 G8 A9 F13 I14 A15 F46S7-R11 WeakPolarHBondContact O-CB 3.42Å; S7-R11 WeakPolarHBondContact O-CG 3.26Å; S7-R11 PolarHBondContact O-N 3Å; G8-R11 PolarHBondContact O-N 2.99Å; A9-R11 VanDerWaalsContact C-N 3.34Å; A9-R11 PolarHBondContact O-N 2.82Å; R11-F13 VanDerWaalsContact C-N 3.31Å; R11-F13 PolarHBondContact O-N 3.23Å; R11-I14 PolarHBondContact O-N 3.06Å; R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.26Å; R11-F46 HydrophobicContact CB-CD1 4.3Å; R11-F46 HydrophobicContact CB-CE1 4.2Å; R11-F46 HydrophobicContact CG-CD1 3.5Å; R11-F46 VanDerWaalsContact CG-CD1 3.5Å; R11-F46 HydrophobicContact CG-CE1 3.88Å; R11-F46 HydrophobicContact CG-CG 4.11Å
12R92.8Very high91Very high159 Ų15972 Ų7260%0.637%0.368SS*.Hα-helixtrans-62.4-37.6176.6-67.5179.7-153.5107.2-1.2112G8 A9 R16G8-R12 WeakPolarHBondContact O-CG 3.19Å; G8-R12 PolarHBondContact O-N 3.22Å; A9-R12 PolarHBondContact O-N 3.22Å; R12-R16 WeakPolarHBondContact O-CB 3.4Å; R12-R16 VanDerWaalsContact O-CG 3.32Å; R12-R16 WeakPolarHBondContact O-CG 3.44Å; R12-R16 PolarHBondContact O-N 3.23Å; R12-R16 VanDerWaalsContact O-N 3.16Å; R12-R16 PolarHBondContact O-NE 3.04Å
13F92.5Very high91.2Very high91 Ų9169.2 Ų69.240%0.39935%0.353SS..Hα-helixtrans-63.5-51.2176177.1-96000111.6A9 L10 R11 A15 R16 K17 P20A9-F13 PolarHBondContact O-N 2.98Å; L10-F13 WeakPolarHBondContact O-CB 3.38Å; L10-F13 PolarHBondContact O-N 2.91Å; R11-F13 VanDerWaalsContact C-N 3.31Å; R11-F13 PolarHBondContact O-N 3.23Å; F13-A15 VanDerWaalsContact C-N 3.31Å; F13-A15 PolarHBondContact O-N 2.96Å; F13-R16 PolarHBondContact O-N 3.45Å; F13-K17 HydrophobicContact CD2-CG 4.39Å; F13-K17 HydrophobicContact CE2-CG 4.08Å; F13-K17 HydrophobicContact CZ-CB 4.42Å; F13-K17 HydrophobicContact CZ-CG 4.43Å; F13-K17 PolarHBondContact O-N 3.05Å; F13-P20 HydrophobicContact CE1-CG 4.38Å
14I92.3Very high91.5Very high10 Ų1070 Ų705%0.05136%0.36CS..Hα-helixtrans-61.4-40.4179.9-69.3171.1000111.4L10 R11 C19 F46 L47 F52L10-I14 HydrophobicContact CD1-CD1 4.09Å; L10-I14 HydrophobicContact CD1-CG1 4.27Å; L10-I14 HydrophobicContact CG-CD1 3.94Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 2.97Å; R11-I14 PolarHBondContact O-N 3.06Å; I14-C19 HydrophobicContact CG2-CB 4.47Å; I14-F46 HydrophobicContact CB-CE1 4.44Å; I14-F46 HydrophobicContact CG2-CE1 4.2Å; I14-F46 HydrophobicContact CG2-CZ 4.32Å; I14-L47 HydrophobicContact CD1-CD2 3.7Å; I14-F52 HydrophobicContact CD1-CE1 4.17Å; I14-F52 HydrophobicContact CD1-CZ 3.73Å
15A91.6Very high91.7Very high80 Ų8063.8 Ų63.866%0.66133%0.332SS*.Hα-helixtrans-66.4-34.5178.900000113.2R11 F13R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.26Å; F13-A15 VanDerWaalsContact C-N 3.31Å; F13-A15 PolarHBondContact O-N 2.96Å
16R89.2Confident91.7Very high148 Ų14864.8 Ų64.856%0.55833%0.333SS*.Hα-helixtrans-86.3-29-178.9-70.9-174.6-62.6157.16.9113.8R12 F13 E101R12-R16 WeakPolarHBondContact O-CB 3.4Å; R12-R16 VanDerWaalsContact O-CG 3.32Å; R12-R16 WeakPolarHBondContact O-CG 3.44Å; R12-R16 PolarHBondContact O-N 3.23Å; R12-R16 VanDerWaalsContact O-N 3.16Å; R12-R16 PolarHBondContact O-NE 3.04Å; F13-R16 PolarHBondContact O-N 3.45Å; R16-E101 IonicContact CZ-OE2 2.67Å; R16-E101 IonicContact NH1-OE2 3.91Å; R16-E101 PolarHBondContact NH1-OE2 3.29Å; R16-E101 IonicContact NH2-OE2 3.62Å
17K87.2Confident91.7Very high67 Ų6767.5 Ų67.529%0.29135%0.348SS..SBendtrans-114.9-113.4-176-56.9-60.6-178.4-1720109.1F13 E101F13-K17 HydrophobicContact CD2-CG 4.39Å; F13-K17 HydrophobicContact CE2-CG 4.08Å; F13-K17 HydrophobicContact CZ-CB 4.42Å; F13-K17 HydrophobicContact CZ-CG 4.43Å; F13-K17 PolarHBondContact O-N 3.05Å; K17-E101 WeakPolarHBondContact CE-OE1 3.24Å; K17-E101 IonicContact NZ-OE1 3.68Å; K17-E101 PolarHBondContact NZ-OE1 3.5Å
18R87Confident91.7Very high179 Ų17969 Ų6968%0.67536%0.361SS*.  trans-144.4165.2174.7-65.2-179.368.9165.3-0.5108.1P20R18-P20 WeakPolarHBondContact O-CD 3.1Å
19C89.8Confident91.8Very high56 Ų5677.3 Ų77.338%0.37839%0.392SS..  trans-64.1118.5170.7-159.70000109.2I14 R50 F52I14-C19 HydrophobicContact CG2-CB 4.47Å; C19-R50 PolarHBondContact SG-NH1 3.18Å; C19-F52 VanDerWaalsContact SG-CE1 3.56Å
20P92Very high91.8Very high31 Ų3177.1 Ų77.120%0.20139%0.387CS..  trans-67.4147.817628.5-33.5000109.9F13 R18 I23 F52F13-P20 HydrophobicContact CE1-CG 4.38Å; R18-P20 WeakPolarHBondContact O-CD 3.1Å; P20-I23 HydrophobicContact CB-CG1 4.41Å; P20-I23 HydrophobicContact CG-CD1 4.19Å; P20-I23 HydrophobicContact CG-CG1 3.92Å; P20-F52 HydrophobicContact CG-CD1 3.97Å; P20-F52 HydrophobicContact CG-CE1 3.97Å; P20-F52 WeakPolarHBondContact O-CD1 3.44Å
21S92.3Very high91.8Very high98 Ų9878.8 Ų78.869%0.68539%0.393SS*.SBendtrans-83.2-29.5170.358.20000112N53S21-N53 WeakPolarHBondContact O-CB 3.38Å; S21-N53 PolarHBondContact O-N 3.17Å
22T94.1Very high91.8Very high51 Ų5176.8 Ų76.831%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-135.5137.2-179.7-61.20000109.4V24 N53 K55T22-V24 HydrophobicContact CG2-CG2 4.18Å; T22-N53 CarbonylContact C-O 3.55Å; T22-N53 WeakPolarHBondContact CA-O 3.39Å; T22-N53 HydrophobicContact CG2-CB 4.43Å; T22-N53 VanDerWaalsContact CG2-O 3.26Å; T22-N53 WeakPolarHBondContact CG2-O 3.22Å; T22-K55 HydrophobicContact CG2-CD 4.11Å; T22-K55 HydrophobicContact CG2-CG 4.21Å
23I93.9Very high91.8Very high25 Ų2570.7 Ų70.713%0.12838%0.379CS..EExtended strand (participates in β ladder)trans-114127.1170.3-64.4176.8000107.3L10 P20 F52 N53 W54 K55L10-I23 HydrophobicContact CD1-CD1 4.17Å; L10-I23 HydrophobicContact CD2-CD1 4.38Å; P20-I23 HydrophobicContact CB-CG1 4.41Å; P20-I23 HydrophobicContact CG-CD1 4.19Å; P20-I23 HydrophobicContact CG-CG1 3.92Å; I23-F52 HydrophobicContact CD1-CB 3.92Å; I23-F52 HydrophobicContact CD1-CD1 4.07Å; I23-F52 HydrophobicContact CD1-CD2 3.71Å; I23-F52 HydrophobicContact CD1-CE2 4.34Å; I23-F52 HydrophobicContact CD1-CG 3.61Å; I23-F52 HydrophobicContact CG1-CB 4.12Å; I23-F52 HydrophobicContact CG1-CD1 4.49Å; I23-F52 HydrophobicContact CG1-CG 4.22Å; I23-N53 PolarHBondContact N-O 2.91Å; I23-W54 HydrophobicContact CB-CD2 4.21Å; I23-W54 HydrophobicContact CB-CE3 4.42Å; I23-W54 HydrophobicContact CD1-CE3 4.32Å; I23-W54 HydrophobicContact CD1-CZ3 4.12Å; I23-W54 HydrophobicContact CG2-CD2 4.13Å; I23-W54 HydrophobicContact CG2-CE3 4.49Å; I23-W54 HydrophobicContact CG2-CH2 4.29Å; I23-W54 HydrophobicContact CG2-CZ2 3.85Å; I23-W54 WeakPolarHBondContact O-CA 3.12Å; I23-K55 PolarHBondContact O-N 2.74Å
24V93.6Very high91.7Very high78 Ų7866.4 Ų66.447%0.47336%0.361SS..EExtended strand (participates in β ladder)trans-109.4128.1173.1-172.40000108.2T22 K55 W68T22-V24 HydrophobicContact CG2-CG2 4.18Å; V24-K55 VanDerWaalsContact CA-O 3.31Å; V24-K55 WeakPolarHBondContact CA-O 3.4Å; V24-K55 HydrophobicContact CG2-CB 4.32Å; V24-W68 HydrophobicContact CG1-CH2 4.23Å; V24-W68 HydrophobicContact CG1-CZ3 4.38Å
25S93.2Very high91.7Very high8 Ų866.9 Ų66.96%0.05636%0.363CS..EExtended strand (participates in β ladder)trans-142.6167.7178.674.60000112.6F31 W54 K55 F56 N57S25-F31 WeakPolarHBondContact OG-CB 3.01Å; S25-W54 PolarHBondContact OG-NE1 3.48Å; S25-K55 PolarHBondContact N-O 2.74Å; S25-F56 WeakPolarHBondContact O-CA 3.38Å; S25-F56 WeakPolarHBondContact OG-CE1 3.49Å; S25-N57 PolarHBondContact O-N 3.39Å
26D92.1Very high91.8Very high74 Ų7464.9 Ų64.940%0.39635%0.347SS..  trans-71.3176.5162.270.513.4000111.2A28 F31 F56D26-A28 PolarHBondContact O-N 2.98Å; D26-A28 WeakPolarHBondContact OD1-CB 3.33Å; D26-A28 PolarHBondContact OD1-N 3.48Å; D26-F31 VanDerWaalsContact OD1-CD2 3.22Å; D26-F31 WeakPolarHBondContact OD1-CD2 3.35Å; D26-F31 WeakPolarHBondContact OD1-CE2 3.41Å; D26-F56 VanDerWaalsContact O-CD1 3.24Å; D26-F56 WeakPolarHBondContact O-CD1 3.45Å
27N91.7Very high91.8Very high77 Ų7760 Ų6041%0.41233%0.331SS..  trans-83.826.3179-65.5-69.3000113.1K29 F56 N57N27-K29 PolarHBondContact O-N 2.91Å; N27-F56 WeakPolarHBondContact OD1-CB 3.37Å; N27-N57 PolarHBondContact ND2-O 2.85Å
28A90.8Very high91.9Very high36 Ų3657.5 Ų57.530%0.29832%0.321SS..  trans-58.3140.3176.200000110.7D26 T30 F31 V32D26-A28 PolarHBondContact O-N 2.98Å; D26-A28 WeakPolarHBondContact OD1-CB 3.33Å; D26-A28 PolarHBondContact OD1-N 3.48Å; A28-T30 PolarHBondContact O-N 3.26Å; A28-F31 HydrophobicContact CB-CD2 3.76Å; A28-F31 HydrophobicContact CB-CE2 4.1Å; A28-F31 PolarHBondContact O-N 3.48Å; A28-V32 PolarHBondContact O-N 2.93Å
29K93.1Very high92Very high196 Ų19656 Ų5685%0.85232%0.321SS*.Hα-helixtrans-52-35.9-175.9-68.1-178.6178.9179.70112.9N27 G33N27-K29 PolarHBondContact O-N 2.91Å; K29-G33 PolarHBondContact O-N 3.28Å
30T93.2Very high91.9Very high34 Ų3460 Ų6021%0.20933%0.333CS..Hα-helixtrans-63.7-44.2178.4-53.80000112.3M1 F6 A28 A34M1-T30 PolarHBondContact O-OG1 2.94Å; F6-T30 HydrophobicContact CB-CG2 3.66Å; F6-T30 HydrophobicContact CG-CG2 4.16Å; A28-T30 PolarHBondContact O-N 3.26Å; T30-A34 WeakPolarHBondContact O-CB 3.35Å; T30-A34 PolarHBondContact O-N 3.22Å
31F92.3Very high91.6Very high49 Ų4965.5 Ų65.522%0.21536%0.356CS..Hα-helixtrans-73-41.5178.9-60.1-45.7000112.1F6 S25 D26 A28 G33 A34 N35 W54 F56F6-F31 AromaticContact CD2-CD1 3.98Å; F6-F31 HydrophobicContact CD2-CD1 3.98Å; F6-F31 AromaticContact CD2-CE1 3.6Å; F6-F31 HydrophobicContact CD2-CE1 3.6Å; F6-F31 AromaticContact CE2-CD1 3.71Å; F6-F31 HydrophobicContact CE2-CD1 3.71Å; F6-F31 AromaticContact CE2-CE1 3.47Å; F6-F31 HydrophobicContact CE2-CE1 3.47Å; F6-F31 VanDerWaalsContact CE2-CE1 3.47Å; F6-F31 HydrophobicContact CZ-CD1 4.13Å; F6-F31 HydrophobicContact CZ-CE1 4.33Å; S25-F31 WeakPolarHBondContact OG-CB 3.01Å; D26-F31 VanDerWaalsContact OD1-CD2 3.22Å; D26-F31 WeakPolarHBondContact OD1-CD2 3.35Å; D26-F31 WeakPolarHBondContact OD1-CE2 3.41Å; A28-F31 HydrophobicContact CB-CD2 3.76Å; A28-F31 HydrophobicContact CB-CE2 4.1Å; A28-F31 PolarHBondContact O-N 3.48Å; F31-G33 VanDerWaalsContact C-N 3.31Å; F31-G33 PolarHBondContact O-N 3.45Å; F31-A34 PolarHBondContact O-N 3.45Å; F31-N35 PolarHBondContact O-N 2.82Å; F31-W54 HydrophobicContact CB-CZ2 3.73Å; F31-W54 HydrophobicContact CD1-CH2 4.47Å; F31-W54 AromaticContact CD1-CZ2 3.96Å; F31-W54 HydrophobicContact CD1-CZ2 3.96Å; F31-W54 HydrophobicContact CG-CZ2 4.15Å; F31-F56 HydrophobicContact CB-CE1 3.99Å
32V92.9Very high91.2Very high66 Ų6666.6 Ų66.640%0.435%0.35SS..Hα-helixtrans-60-44.1174.2176.90000110.4A28 N35 A36 F56A28-V32 PolarHBondContact O-N 2.93Å; V32-N35 PolarHBondContact O-N 3.15Å; V32-A36 WeakPolarHBondContact O-CB 3.24Å; V32-A36 PolarHBondContact O-N 3.19Å; V32-F56 HydrophobicContact CG2-CD1 4.36Å; V32-F56 HydrophobicContact CG2-CE1 3.8Å; V32-F56 HydrophobicContact CG2-CZ 4.19Å
33G92.4Very high90.6Very high30 Ų3065.1 Ų65.131%0.30934%0.34SS..Hα-helixtrans-63.2-43.8175.100000113.2K29 F31 A36 L37K29-G33 PolarHBondContact O-N 3.28Å; F31-G33 VanDerWaalsContact C-N 3.31Å; F31-G33 PolarHBondContact O-N 3.45Å; G33-A36 PolarHBondContact O-N 3.09Å; G33-L37 WeakPolarHBondContact O-CG 3.31Å; G33-L37 PolarHBondContact O-N 2.99Å
34A91.9Very high90Very high1 Ų168 Ų681%0.00835%0.353CS..Hα-helixtrans-61.8-44.6176.800000112.2L3 F6 T30 F31 A36 L37 Q38 W54L3-A34 HydrophobicContact CD1-CB 3.73Å; F6-A34 HydrophobicContact CD1-CB 3.82Å; F6-A34 HydrophobicContact CE1-CB 3.57Å; T30-A34 WeakPolarHBondContact O-CB 3.35Å; T30-A34 PolarHBondContact O-N 3.22Å; F31-A34 PolarHBondContact O-N 3.45Å; A34-A36 VanDerWaalsContact C-N 3.34Å; A34-A36 PolarHBondContact O-N 3.09Å; A34-L37 PolarHBondContact O-N 2.97Å; A34-Q38 PolarHBondContact O-N 3.29Å; A34-W54 HydrophobicContact CB-CH2 3.92Å; A34-W54 HydrophobicContact CB-CZ3 4.22Å
35N92.1Very high89.5Confident20 Ų2069.6 Ų69.611%0.10736%0.364CS..Hα-helixtrans-63.9-38.9175.3-177.853.6000111.9F31 V32 L37 Q38 Q39 W54 F56F31-N35 PolarHBondContact O-N 2.82Å; V32-N35 PolarHBondContact O-N 3.15Å; N35-L37 VanDerWaalsContact C-N 3.33Å; N35-L37 PolarHBondContact O-N 3.48Å; N35-Q38 WeakPolarHBondContact O-CB 3.48Å; N35-Q38 PolarHBondContact O-N 3.46Å; N35-Q39 PolarHBondContact ND2-NE2 3.35Å; N35-Q39 WeakPolarHBondContact O-CG 3.38Å; N35-Q39 PolarHBondContact O-N 2.88Å; N35-W54 HydrophobicContact CB-CB 4.35Å; N35-W54 HydrophobicContact CB-CD2 3.91Å; N35-W54 HydrophobicContact CB-CE3 3.99Å; N35-W54 HydrophobicContact CB-CG 4.06Å; N35-W54 VanDerWaalsContact OD1-CB 3.3Å; N35-W54 WeakPolarHBondContact OD1-CB 3.48Å; N35-F56 HydrophobicContact CB-CE2 4.03Å; N35-F56 HydrophobicContact CB-CZ 3.82Å
36A92.3Very high89Confident38 Ų3872.6 Ų72.631%0.31438%0.377SS..Hα-helixtrans-63.4-37.8175.700000112.6V32 G33 A34 K40V32-A36 WeakPolarHBondContact O-CB 3.24Å; V32-A36 PolarHBondContact O-N 3.19Å; G33-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact C-N 3.34Å; A34-A36 PolarHBondContact O-N 3.09Å; A36-K40 WeakPolarHBondContact O-CG 3.44Å; A36-K40 PolarHBondContact O-N 2.96Å
37L90.3Very high88.5Confident45 Ų4569.2 Ų69.224%0.23636%0.358CS..Hα-helixtrans-68.7-37173.3-69.7178.1000112.2L3 G33 A34 N35 Q39 K40 E41 Q42 L43L3-L37 HydrophobicContact CD1-CD1 4.36Å; L3-L37 HydrophobicContact CD2-CD1 3.23Å; L3-L37 HydrophobicContact CG-CD1 4.31Å; G33-L37 WeakPolarHBondContact O-CG 3.31Å; G33-L37 PolarHBondContact O-N 2.99Å; A34-L37 PolarHBondContact O-N 2.97Å; N35-L37 VanDerWaalsContact C-N 3.33Å; N35-L37 PolarHBondContact O-N 3.48Å; L37-Q39 PolarHBondContact O-N 2.87Å; L37-K40 CarbonylContact O-C 3.56Å; L37-K40 PolarHBondContact O-N 3.39Å; L37-E41 PolarHBondContact O-N 2.86Å; L37-E41 VanDerWaalsContact O-N 3.15Å; L37-Q42 HydrophobicContact CB-CB 4.42Å; L37-Q42 HydrophobicContact CD2-CB 3.83Å; L37-Q42 PolarHBondContact O-N 2.9Å; L37-L43 HydrophobicContact CB-CD2 3.92Å; L37-L43 HydrophobicContact CB-CG 4.35Å
38Q89.4Confident87.8Confident16 Ų1668.2 Ų68.28%0.07536%0.361CS..Hα-helixtrans-58.7-48.1173.6-169.6-176.7-85.800111.5A34 N35 K40 E41 L43 F52A34-Q38 PolarHBondContact O-N 3.29Å; N35-Q38 WeakPolarHBondContact O-CB 3.48Å; N35-Q38 PolarHBondContact O-N 3.46Å; Q38-K40 PolarHBondContact O-N 3.47Å; Q38-E41 PolarHBondContact O-N 2.92Å; Q38-L43 HydrophobicContact CB-CD1 3.58Å; Q38-L43 HydrophobicContact CB-CG 4.03Å; Q38-L43 HydrophobicContact CG-CD1 3.7Å; Q38-F52 PolarHBondContact NE2-O 3.41Å
39Q88.2Confident87Confident146 Ų14669.8 Ų69.868%0.68238%0.381SS*.Hα-helixtrans-64.3-23.4-179.3-70.8177.8-2.200113.1N35 L37N35-Q39 PolarHBondContact ND2-NE2 3.35Å; N35-Q39 WeakPolarHBondContact O-CG 3.38Å; N35-Q39 PolarHBondContact O-N 2.88Å; L37-Q39 PolarHBondContact O-N 2.87Å
40K89.3Confident86.5Confident142 Ų14264.5 Ų64.562%0.61736%0.355SS*.THydrogen-bonded Turntrans-94.93.8175.1-66.2179.5-178.1-177.20113.3A36 L37 Q38 Q42A36-K40 WeakPolarHBondContact O-CG 3.44Å; A36-K40 PolarHBondContact O-N 2.96Å; L37-K40 CarbonylContact O-C 3.56Å; L37-K40 PolarHBondContact O-N 3.39Å; Q38-K40 PolarHBondContact O-N 3.47Å; K40-Q42 HydrophobicContact CB-CB 4.33Å; K40-Q42 HydrophobicContact CB-CG 4.03Å; K40-Q42 WeakPolarHBondContact O-CG 3.47Å; K40-Q42 PolarHBondContact O-N 2.79Å
41E84.5Confident85.9Confident146 Ų14669.7 Ų69.768%0.68237%0.372SS*.THydrogen-bonded Turntrans56.229-172.8-56.4-176.4169.300113.6L37 Q38 Y51L37-E41 PolarHBondContact O-N 2.86Å; L37-E41 VanDerWaalsContact O-N 3.15Å; Q38-E41 PolarHBondContact O-N 2.92Å; E41-Y51 PolarHBondContact OE1-OH 3.38Å
42Q84.3Confident85.7Confident120 Ų12067.7 Ų67.756%0.56136%0.363SS*.  trans-105.716.8-177.6-71.8174.6-2.900112.7L37 K40L37-Q42 HydrophobicContact CB-CB 4.42Å; L37-Q42 HydrophobicContact CD2-CB 3.83Å; L37-Q42 PolarHBondContact O-N 2.9Å; K40-Q42 HydrophobicContact CB-CB 4.33Å; K40-Q42 HydrophobicContact CB-CG 4.03Å; K40-Q42 WeakPolarHBondContact O-CG 3.47Å; K40-Q42 PolarHBondContact O-N 2.79Å
43L81.1Confident85.7Confident20 Ų2068.5 Ų68.511%0.10537%0.365CS..SBendtrans-69.4153.9168.8-74.6178.1000110.6L37 Q38 L47L37-L43 HydrophobicContact CB-CD2 3.92Å; L37-L43 HydrophobicContact CB-CG 4.35Å; Q38-L43 HydrophobicContact CB-CD1 3.58Å; Q38-L43 HydrophobicContact CB-CG 4.03Å; Q38-L43 HydrophobicContact CG-CD1 3.7Å; L43-L47 HydrophobicContact CB-CB 4Å; L43-L47 HydrophobicContact CD1-CB 4.03Å
44E81.8Confident85.8Confident87 Ų8768.2 Ų68.241%0.40736%0.355SS..  trans-45.8142.1172.3-70.3-66.9154.700111.7F46 L47 A48E44-F46 PolarHBondContact O-N 2.99Å; E44-L47 CarbonylContact O-C 3.6Å; E44-L47 WeakPolarHBondContact O-CA 3.32Å; E44-L47 PolarHBondContact O-N 3.22Å; E44-A48 PolarHBondContact O-N 3.48Å
45P82.9Confident85.9Confident110 Ų11073.6 Ų73.671%0.71438%0.378SS*.THydrogen-bonded Turntrans-51.6-30.3-172.6-30.134.6000115.6L47 A48P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 PolarHBondContact O-N 3.37Å; P45-A48 WeakPolarHBondContact O-CB 3.36Å; P45-A48 PolarHBondContact O-N 2.83Å
46F82.4Confident86Confident72 Ų7275.4 Ų75.432%0.31639%0.385SS..THydrogen-bonded Turntrans-66.2-33.2176.1179.5-85.9000113.5R11 I14 E44 R50R11-F46 HydrophobicContact CB-CD1 4.3Å; R11-F46 HydrophobicContact CB-CE1 4.2Å; R11-F46 HydrophobicContact CG-CD1 3.5Å; R11-F46 VanDerWaalsContact CG-CD1 3.5Å; R11-F46 HydrophobicContact CG-CE1 3.88Å; R11-F46 HydrophobicContact CG-CG 4.11Å; I14-F46 HydrophobicContact CB-CE1 4.44Å; I14-F46 HydrophobicContact CG2-CE1 4.2Å; I14-F46 HydrophobicContact CG2-CZ 4.32Å; E44-F46 PolarHBondContact O-N 2.99Å; F46-R50 PolarHBondContact O-NE 2.95Å
47L82Confident85.9Confident2 Ų274.5 Ų74.51%0.0138%0.375CS..THydrogen-bonded Turntrans-92.2-17.8177.2-61.1175.5000111.5L10 I14 L43 E44 P45 G49 R50 F52L10-L47 HydrophobicContact CD2-CD1 3.98Å; L10-L47 HydrophobicContact CD2-CD2 3.99Å; L10-L47 HydrophobicContact CG-CD2 4.16Å; I14-L47 HydrophobicContact CD1-CD2 3.7Å; L43-L47 HydrophobicContact CB-CB 4Å; L43-L47 HydrophobicContact CD1-CB 4.03Å; E44-L47 CarbonylContact O-C 3.6Å; E44-L47 WeakPolarHBondContact O-CA 3.32Å; E44-L47 PolarHBondContact O-N 3.22Å; P45-L47 VanDerWaalsContact C-N 3.31Å; P45-L47 PolarHBondContact O-N 3.37Å; L47-G49 PolarHBondContact O-N 3.45Å; L47-R50 WeakPolarHBondContact O-CB 3.31Å; L47-R50 PolarHBondContact O-N 3.29Å; L47-F52 HydrophobicContact CD2-CE2 4.31Å; L47-F52 HydrophobicContact CD2-CZ 4.17Å
48A75.8Confident85.9Confident57 Ų5775.3 Ų75.347%0.47138%0.383SS..THydrogen-bonded Turntrans-55.9131.8172.300000110.5E44 P45 R50E44-A48 PolarHBondContact O-N 3.48Å; P45-A48 WeakPolarHBondContact O-CB 3.36Å; P45-A48 PolarHBondContact O-N 2.83Å; A48-R50 VanDerWaalsContact C-N 3.25Å; A48-R50 PolarHBondContact O-N 3.32Å
49G75.2Confident85.5Confident68 Ų6880.5 Ų80.570%0.70142%0.418SS*.THydrogen-bonded Turntrans80.5-9.3-174.200000115.4L47 Y51L47-G49 PolarHBondContact O-N 3.45Å; G49-Y51 PolarHBondContact O-N 2.9Å
50R81.6Confident84.8Confident85 Ų8577.1 Ų77.132%0.32142%0.422SS..  trans-9296.9170.1-60.4178.8-175.5-103.51.3108.7C19 F46 L47 A48 F52C19-R50 PolarHBondContact SG-NH1 3.18Å; F46-R50 PolarHBondContact O-NE 2.95Å; L47-R50 WeakPolarHBondContact O-CB 3.31Å; L47-R50 PolarHBondContact O-N 3.29Å; A48-R50 VanDerWaalsContact C-N 3.25Å; A48-R50 PolarHBondContact O-N 3.32Å; R50-F52 HydrophobicContact CB-CE1 4.09Å; R50-F52 HydrophobicContact CB-CE2 4.43Å; R50-F52 HydrophobicContact CB-CZ 3.77Å; R50-F52 PolarHBondContact O-N 3.04Å
51Y81.4Confident84.2Confident144 Ų14471.2 Ų71.257%0.56540%0.402SS*.  trans-83.7113.9176.3-75.3-76.2000110.9E41 G49E41-Y51 PolarHBondContact OE1-OH 3.38Å; G49-Y51 PolarHBondContact O-N 2.9Å
52F89Confident83.5Confident7 Ų774.3 Ų74.33%0.03141%0.407CS..  trans-94.8132.7170.9-47.3-59.8000109.8L10 I14 C19 P20 I23 Q38 L47 R50 W54L10-F52 HydrophobicContact CD2-CE2 3.89Å; L10-F52 HydrophobicContact CD2-CZ 4.3Å; I14-F52 HydrophobicContact CD1-CE1 4.17Å; I14-F52 HydrophobicContact CD1-CZ 3.73Å; C19-F52 VanDerWaalsContact SG-CE1 3.56Å; P20-F52 HydrophobicContact CG-CD1 3.97Å; P20-F52 HydrophobicContact CG-CE1 3.97Å; P20-F52 WeakPolarHBondContact O-CD1 3.44Å; I23-F52 HydrophobicContact CD1-CB 3.92Å; I23-F52 HydrophobicContact CD1-CD1 4.07Å; I23-F52 HydrophobicContact CD1-CD2 3.71Å; I23-F52 HydrophobicContact CD1-CE2 4.34Å; I23-F52 HydrophobicContact CD1-CG 3.61Å; I23-F52 HydrophobicContact CG1-CB 4.12Å; I23-F52 HydrophobicContact CG1-CD1 4.49Å; I23-F52 HydrophobicContact CG1-CG 4.22Å; Q38-F52 PolarHBondContact NE2-O 3.41Å; L47-F52 HydrophobicContact CD2-CE2 4.31Å; L47-F52 HydrophobicContact CD2-CZ 4.17Å; R50-F52 HydrophobicContact CB-CE1 4.09Å; R50-F52 HydrophobicContact CB-CE2 4.43Å; R50-F52 HydrophobicContact CB-CZ 3.77Å; R50-F52 PolarHBondContact O-N 3.04Å; F52-W54 PolarHBondContact O-N 2.84Å; F52-W54 VanDerWaalsContact O-N 3.1Å
53N92.4Very high83.2Confident83 Ų8375.8 Ų75.844%0.44442%0.419SS..EExtended strand (participates in β ladder)trans-71.7101.4162.7179.426.3000108.6S21 T22 I23 K55S21-N53 WeakPolarHBondContact O-CB 3.38Å; S21-N53 PolarHBondContact O-N 3.17Å; T22-N53 CarbonylContact C-O 3.55Å; T22-N53 WeakPolarHBondContact CA-O 3.39Å; T22-N53 HydrophobicContact CG2-CB 4.43Å; T22-N53 VanDerWaalsContact CG2-O 3.26Å; T22-N53 WeakPolarHBondContact CG2-O 3.22Å; I23-N53 PolarHBondContact N-O 2.91Å; N53-K55 WeakPolarHBondContact ND2-CE 3.37Å
54W93.9Very high83.3Confident24 Ų2479.8 Ų79.89%0.09144%0.437CS..EExtended strand (participates in β ladder)trans-87.6124.9-179.3-149.6-60.5000111F6 I23 S25 F31 A34 N35 F52 F56F6-W54 AromaticContact CE1-CH2 3.81Å; F6-W54 HydrophobicContact CE1-CH2 3.81Å; F6-W54 AromaticContact CZ-CH2 3.54Å; F6-W54 HydrophobicContact CZ-CH2 3.54Å; F6-W54 HydrophobicContact CZ-CZ2 4.32Å; F6-W54 HydrophobicContact CZ-CZ3 4.41Å; I23-W54 HydrophobicContact CB-CD2 4.21Å; I23-W54 HydrophobicContact CB-CE3 4.42Å; I23-W54 HydrophobicContact CD1-CE3 4.32Å; I23-W54 HydrophobicContact CD1-CZ3 4.12Å; I23-W54 HydrophobicContact CG2-CD2 4.13Å; I23-W54 HydrophobicContact CG2-CE3 4.49Å; I23-W54 HydrophobicContact CG2-CH2 4.29Å; I23-W54 HydrophobicContact CG2-CZ2 3.85Å; I23-W54 WeakPolarHBondContact O-CA 3.12Å; S25-W54 PolarHBondContact OG-NE1 3.48Å; F31-W54 HydrophobicContact CB-CZ2 3.73Å; F31-W54 HydrophobicContact CD1-CH2 4.47Å; F31-W54 AromaticContact CD1-CZ2 3.96Å; F31-W54 HydrophobicContact CD1-CZ2 3.96Å; F31-W54 HydrophobicContact CG-CZ2 4.15Å; A34-W54 HydrophobicContact CB-CH2 3.92Å; A34-W54 HydrophobicContact CB-CZ3 4.22Å; N35-W54 HydrophobicContact CB-CB 4.35Å; N35-W54 HydrophobicContact CB-CD2 3.91Å; N35-W54 HydrophobicContact CB-CE3 3.99Å; N35-W54 HydrophobicContact CB-CG 4.06Å; N35-W54 VanDerWaalsContact OD1-CB 3.3Å; N35-W54 WeakPolarHBondContact OD1-CB 3.48Å; F52-W54 PolarHBondContact O-N 2.84Å; F52-W54 VanDerWaalsContact O-N 3.1Å; W54-F56 HydrophobicContact CB-CE2 4.46Å; W54-F56 AromaticContact CD1-CD2 3.87Å; W54-F56 AromaticContact CD1-CE1 3.81Å; W54-F56 AromaticContact CD1-CE2 3.38Å; W54-F56 AromaticContact CD1-CZ 3.34Å; W54-F56 HydrophobicContact CD2-CZ 4.42Å; W54-F56 AromaticContact CG-CE2 3.98Å; W54-F56 HydrophobicContact CG-CE2 3.98Å; W54-F56 HydrophobicContact CG-CZ 4.04Å; W54-F56 AromaticContact NE1-CE1 3.48Å; W54-F56 AromaticContact NE1-CE2 3.91Å; W54-F56 AromaticContact NE1-CZ 3.35Å
55K94.1Very high83.5Confident113 Ų11375.7 Ų75.749%0.49142%0.418SS..EExtended strand (participates in β ladder)trans-116.7131.6173.6-63.2-174.8-180-177.80109.7T22 I23 V24 S25 N53T22-K55 HydrophobicContact CG2-CD 4.11Å; T22-K55 HydrophobicContact CG2-CG 4.21Å; I23-K55 PolarHBondContact O-N 2.74Å; V24-K55 VanDerWaalsContact CA-O 3.31Å; V24-K55 WeakPolarHBondContact CA-O 3.4Å; V24-K55 HydrophobicContact CG2-CB 4.32Å; S25-K55 PolarHBondContact N-O 2.74Å; N53-K55 WeakPolarHBondContact ND2-CE 3.37Å
56F93.6Very high83.8Confident59 Ų5972.3 Ų72.326%0.25940%0.403SS..EExtended strand (participates in β ladder)trans-103145.8174.6-68.8-82.6000110.1S25 D26 N27 F31 V32 N35 W54S25-F56 WeakPolarHBondContact O-CA 3.38Å; S25-F56 WeakPolarHBondContact OG-CE1 3.49Å; D26-F56 VanDerWaalsContact O-CD1 3.24Å; D26-F56 WeakPolarHBondContact O-CD1 3.45Å; N27-F56 WeakPolarHBondContact OD1-CB 3.37Å; F31-F56 HydrophobicContact CB-CE1 3.99Å; V32-F56 HydrophobicContact CG2-CD1 4.36Å; V32-F56 HydrophobicContact CG2-CE1 3.8Å; V32-F56 HydrophobicContact CG2-CZ 4.19Å; N35-F56 HydrophobicContact CB-CE2 4.03Å; N35-F56 HydrophobicContact CB-CZ 3.82Å; W54-F56 HydrophobicContact CB-CE2 4.46Å; W54-F56 AromaticContact CD1-CD2 3.87Å; W54-F56 AromaticContact CD1-CE1 3.81Å; W54-F56 AromaticContact CD1-CE2 3.38Å; W54-F56 AromaticContact CD1-CZ 3.34Å; W54-F56 HydrophobicContact CD2-CZ 4.42Å; W54-F56 AromaticContact CG-CE2 3.98Å; W54-F56 HydrophobicContact CG-CE2 3.98Å; W54-F56 HydrophobicContact CG-CZ 4.04Å; W54-F56 AromaticContact NE1-CE1 3.48Å; W54-F56 AromaticContact NE1-CE2 3.91Å; W54-F56 AromaticContact NE1-CZ 3.35Å
57N91.7Very high84.1Confident19 Ų1972.5 Ų72.510%0.10242%0.418CS..PPolyproline II helixtrans-59.6144.2167.2-67.2-14.4000109.7S25 N27 H64 W68S25-N57 PolarHBondContact O-N 3.39Å; N27-N57 PolarHBondContact ND2-O 2.85Å; N57-H64 HydrophobicContact CB-CB 4.03Å; N57-H64 WeakPolarHBondContact OD1-CB 3.43Å; N57-W68 WeakPolarHBondContact ND2-CH2 3.5Å; N57-W68 VanDerWaalsContact ND2-CZ2 3.35Å; N57-W68 WeakPolarHBondContact ND2-CZ2 3.42Å
58P89.1Confident84.4Confident61 Ų6176.5 Ų76.540%0.39643%0.433SS..PPolyproline II helixtrans-59148.2175.623.8-31.4000110.3G60 G61 H64P58-G60 PolarHBondContact O-N 2.92Å; P58-G61 WeakPolarHBondContact O-CA 3.37Å; P58-G61 PolarHBondContact O-N 3.47Å; P58-H64 WeakPolarHBondContact CG-CE1 3.36Å
59P81.5Confident85.2Confident125 Ų12579.1 Ų79.181%0.81244%0.435SS*.THydrogen-bonded Turntrans-53.3124.6175.5-2433.1000110.6G61P59-G61 VanDerWaalsContact C-N 3.29Å; P59-G61 PolarHBondContact O-N 3.34Å
60G73.7Confident86Confident75 Ų7577.5 Ų77.577%0.77342%0.419SS*.THydrogen-bonded Turntrans80.6-1.5-176.700000115.7P58 R62P58-G60 PolarHBondContact O-N 2.92Å; G60-R62 PolarHBondContact O-N 3.27Å
61G77.2Confident86.5Confident18 Ų1877.3 Ų77.319%0.18642%0.424CS..  trans-7653.8-179.800000114.7P58 P59 N63 H64P58-G61 WeakPolarHBondContact O-CA 3.37Å; P58-G61 PolarHBondContact O-N 3.47Å; P59-G61 VanDerWaalsContact C-N 3.29Å; P59-G61 PolarHBondContact O-N 3.34Å; G61-N63 PolarHBondContact O-N 2.91Å; G61-H64 WeakPolarHBondContact CA-ND1 3.42Å; G61-H64 WeakPolarHBondContact O-CB 3.17Å; G61-H64 PolarHBondContact O-N 3.05Å; G61-H64 PolarHBondContact O-ND1 2.92Å
62R68.9Low87Confident211 Ų21174.3 Ų74.380%0.79642%0.417SS*.G310 helixtrans-48-37.5-177.4-71.1-171.5-74.3-1140.5113.4G60 H64 G65G60-R62 PolarHBondContact O-N 3.27Å; R62-H64 PolarHBondContact O-N 2.94Å; R62-G65 PolarHBondContact O-N 3.49Å
63N77.8Confident87.3Confident151 Ų15176.8 Ų76.881%0.80744%0.438SS*.G310 helixtrans-69.8-17.1-176.4-58.8-12.9000114.3G61 G65 G66G61-N63 PolarHBondContact O-N 2.91Å; N63-G65 PolarHBondContact O-N 3.23Å; N63-G66 PolarHBondContact O-N 3.06Å
64H84.1Confident87.3Confident105 Ų10576.4 Ų76.449%0.48644%0.439SS..G310 helixtrans-67.1-20.9-179.6-65.578.1000111.9N57 P58 G61 R62 W68N57-H64 HydrophobicContact CB-CB 4.03Å; N57-H64 WeakPolarHBondContact OD1-CB 3.43Å; P58-H64 WeakPolarHBondContact CG-CE1 3.36Å; G61-H64 WeakPolarHBondContact CA-ND1 3.42Å; G61-H64 WeakPolarHBondContact O-CB 3.17Å; G61-H64 PolarHBondContact O-N 3.05Å; G61-H64 PolarHBondContact O-ND1 2.92Å; R62-H64 PolarHBondContact O-N 2.94Å; H64-W68 WeakPolarHBondContact O-CH2 3.13Å; H64-W68 WeakPolarHBondContact O-CZ3 3.29Å
65G85.3Confident87.3Confident1 Ų176.4 Ų76.41%0.0144%0.444CS..G310 helixtrans-90.6-2.3177.500000117.2R62 N63 A67 W68 E69R62-G65 PolarHBondContact O-N 3.49Å; N63-G65 PolarHBondContact O-N 3.23Å; G65-A67 PolarHBondContact O-N 2.78Å; G65-A67 VanDerWaalsContact O-N 3.09Å; G65-W68 PolarHBondContact O-N 3.19Å; G65-E69 WeakPolarHBondContact O-CB 3.04Å; G65-E69 VanDerWaalsContact O-CG 3.31Å; G65-E69 WeakPolarHBondContact O-CG 3.15Å; G65-E69 PolarHBondContact O-N 3.25Å
66G89.2Confident87.2Confident38 Ų3877.4 Ų77.439%0.39245%0.448SS..Hα-helixtrans-56.5-35.7-171.200000114.1N63 G70N63-G66 PolarHBondContact O-N 3.06Å; G66-G70 PolarHBondContact O-N 3.37Å
67A87.9Confident87.1Confident77 Ų7781.7 Ų81.764%0.63647%0.469SS*.Hα-helixtrans-65-49.6179.900000112.6G65 L71G65-A67 PolarHBondContact O-N 2.78Å; G65-A67 VanDerWaalsContact O-N 3.09Å; A67-L71 WeakPolarHBondContact O-CG 3.32Å; A67-L71 PolarHBondContact O-N 3.32Å; A67-L71 VanDerWaalsContact O-N 3.09Å
68W89.3Confident87Confident86 Ų8682.9 Ų82.933%0.32648%0.478SS..Hα-helixtrans-77.7-30.817961.382.2000112.3V24 N57 H64 G65 G70 L71 I72V24-W68 HydrophobicContact CG1-CH2 4.23Å; V24-W68 HydrophobicContact CG1-CZ3 4.38Å; N57-W68 WeakPolarHBondContact ND2-CH2 3.5Å; N57-W68 VanDerWaalsContact ND2-CZ2 3.35Å; N57-W68 WeakPolarHBondContact ND2-CZ2 3.42Å; H64-W68 WeakPolarHBondContact O-CH2 3.13Å; H64-W68 WeakPolarHBondContact O-CZ3 3.29Å; G65-W68 PolarHBondContact O-N 3.19Å; W68-G70 VanDerWaalsContact C-N 3.34Å; W68-L71 PolarHBondContact O-N 3.13Å; W68-I72 WeakPolarHBondContact O-CB 3.37Å; W68-I72 WeakPolarHBondContact O-CD1 3.29Å; W68-I72 WeakPolarHBondContact O-CG1 3.47Å; W68-I72 PolarHBondContact O-N 3.38Å
69E91.6Very high87.2Confident111 Ų11182 Ų8252%0.51947%0.469SS..Hα-helixtrans-62.6-42.2171.7-72.5175.1175.800111.2G65 I72 A73G65-E69 WeakPolarHBondContact O-CB 3.04Å; G65-E69 VanDerWaalsContact O-CG 3.31Å; G65-E69 WeakPolarHBondContact O-CG 3.15Å; G65-E69 PolarHBondContact O-N 3.25Å; E69-I72 PolarHBondContact O-N 3.23Å; E69-A73 PolarHBondContact O-N 3.48Å
70G92.9Very high87.7Confident35 Ų3580 Ų8036%0.36146%0.459SS..Hα-helixtrans-60.8-45.6172.400000112.2G66 W68 I72 A73 V74G66-G70 PolarHBondContact O-N 3.37Å; W68-G70 VanDerWaalsContact C-N 3.34Å; G70-I72 VanDerWaalsContact C-N 3.34Å; G70-I72 PolarHBondContact O-N 3.4Å; G70-A73 WeakPolarHBondContact O-CB 3.35Å; G70-A73 PolarHBondContact O-N 3.38Å; G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.44Å
71L91.9Very high88.5Confident80 Ų8079.6 Ų79.642%0.41945%0.448SS..Hα-helixtrans-63.3-38.2175-70.2172.6000112.7A67 W68 A73 V74 A75 R107A67-L71 WeakPolarHBondContact O-CG 3.32Å; A67-L71 PolarHBondContact O-N 3.32Å; A67-L71 VanDerWaalsContact O-N 3.09Å; W68-L71 PolarHBondContact O-N 3.13Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-V74 PolarHBondContact O-N 3.09Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.38Å; L71-R107 VanDerWaalsContact CD2-NH2 3.34Å
72I93Very high89.2Confident82 Ų8282.3 Ų82.342%0.42146%0.461SS..Hα-helixtrans-63.5-40.8174.2-71162000110.3W68 E69 G70 A75 K76W68-I72 WeakPolarHBondContact O-CB 3.37Å; W68-I72 WeakPolarHBondContact O-CD1 3.29Å; W68-I72 WeakPolarHBondContact O-CG1 3.47Å; W68-I72 PolarHBondContact O-N 3.38Å; E69-I72 PolarHBondContact O-N 3.23Å; G70-I72 VanDerWaalsContact C-N 3.34Å; G70-I72 PolarHBondContact O-N 3.4Å; I72-A75 PolarHBondContact O-N 2.92Å; I72-K76 HydrophobicContact CG2-CD 4.08Å; I72-K76 HydrophobicContact CG2-CG 4.38Å; I72-K76 WeakPolarHBondContact O-CG 3.32Å; I72-K76 PolarHBondContact O-N 2.85Å
73A94.1Very high90.3Very high58 Ų5873.5 Ų73.548%0.47943%0.43SS..Hα-helixtrans-62.9-46.217600000111.6E69 G70 L71 A75 K76 Q77E69-A73 PolarHBondContact O-N 3.48Å; G70-A73 WeakPolarHBondContact O-CB 3.35Å; G70-A73 PolarHBondContact O-N 3.38Å; L71-A73 VanDerWaalsContact C-N 3.33Å; A73-A75 VanDerWaalsContact C-N 3.27Å; A73-A75 PolarHBondContact O-N 3.23Å; A73-K76 PolarHBondContact O-N 2.92Å; A73-Q77 PolarHBondContact O-N 3.42Å
74V92.7Very high91Very high76 Ų7670.8 Ų70.846%0.46142%0.421SS..Hα-helixtrans-61.7-35.5175.4176.60000111.5G70 L71 P78 L104G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.44Å; L71-V74 PolarHBondContact O-N 3.09Å; V74-P78 WeakPolarHBondContact O-CD 3.02Å; V74-L104 HydrophobicContact CB-CD2 4.48Å; V74-L104 HydrophobicContact CG1-CD2 3.7Å
75A93Very high91.3Very high23 Ų2369.4 Ų69.419%0.1944%0.436CS..Hα-helixtrans-69.6-45.1174.100000111.8L71 I72 A73 Q77 P78 L79 M100 L104L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.38Å; I72-A75 PolarHBondContact O-N 2.92Å; A73-A75 VanDerWaalsContact C-N 3.27Å; A73-A75 PolarHBondContact O-N 3.23Å; A75-Q77 PolarHBondContact O-N 2.87Å; A75-Q77 VanDerWaalsContact O-N 3.16Å; A75-P78 VanDerWaalsContact O-CD 3.24Å; A75-P78 WeakPolarHBondContact O-CD 2.98Å; A75-P78 WeakPolarHBondContact O-CG 3.19Å; A75-L79 PolarHBondContact O-N 2.95Å; A75-M100 HydrophobicContact CB-CE 4.3Å; A75-M100 WeakPolarHBondContact O-CE 3.48Å; A75-L104 HydrophobicContact CB-CD1 3.7Å
76K93Very high91.6Very high135 Ų13574.6 Ų74.659%0.58746%0.463SS*.Hα-helixtrans-61.1-31-175.2-79.1176.2176-177.80114I72 A73 L79 S80I72-K76 HydrophobicContact CG2-CD 4.08Å; I72-K76 HydrophobicContact CG2-CG 4.38Å; I72-K76 WeakPolarHBondContact O-CG 3.32Å; I72-K76 PolarHBondContact O-N 2.85Å; A73-K76 PolarHBondContact O-N 2.92Å; K76-L79 PolarHBondContact O-N 3.39Å; K76-S80 VanDerWaalsContact O-CB 3.32Å; K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.24Å
77Q90.9Very high91.8Very high149 Ų14981.2 Ų81.270%0.69649%0.488SS*.Hα-helixtrans-62.7-58.8-177.7-178.3179.35.600113.2A73 A75 L79 S80 A81A73-Q77 PolarHBondContact O-N 3.42Å; A75-Q77 PolarHBondContact O-N 2.87Å; A75-Q77 VanDerWaalsContact O-N 3.16Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; Q77-L79 PolarHBondContact O-N 3.49Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-A81 WeakPolarHBondContact O-CB 3.41Å; Q77-A81 PolarHBondContact O-N 2.88Å
78P90.1Very high92.1Very high44 Ų4479.6 Ų79.629%0.28647%0.47SS..Hα-helixtrans-62.8-33.6174.619.3-26.6000112.2V74 A75 S80 A81 T82 M100V74-P78 WeakPolarHBondContact O-CD 3.02Å; A75-P78 VanDerWaalsContact O-CD 3.24Å; A75-P78 WeakPolarHBondContact O-CD 2.98Å; A75-P78 WeakPolarHBondContact O-CG 3.19Å; P78-S80 PolarHBondContact O-N 3.16Å; P78-A81 PolarHBondContact O-N 3.31Å; P78-T82 WeakPolarHBondContact O-CB 3.39Å; P78-T82 PolarHBondContact O-N 3.37Å; P78-T82 PolarHBondContact O-OG1 3.03Å; P78-M100 HydrophobicContact CB-CE 4.39Å; P78-M100 HydrophobicContact CG-CE 3.89Å
79L92.7Very high92.4Very high41 Ų4180 Ų8022%0.21548%0.478CS..Hα-helixtrans-60-49.1176.6-173.758.4000110.8A75 K76 Q77 A81 T82 L83 M93 V96 L97 M100A75-L79 PolarHBondContact O-N 2.95Å; K76-L79 PolarHBondContact O-N 3.39Å; Q77-L79 VanDerWaalsContact C-N 3.29Å; Q77-L79 PolarHBondContact O-N 3.49Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 3.38Å; L79-T82 PolarHBondContact O-N 3.22Å; L79-L83 HydrophobicContact CD1-CD1 3.65Å; L79-L83 HydrophobicContact CD1-CG 4.06Å; L79-L83 HydrophobicContact CG-CD1 3.94Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.98Å; L79-M93 HydrophobicContact CD1-SD 4.46Å; L79-V96 HydrophobicContact CD1-CG1 3.64Å; L79-L97 HydrophobicContact CD1-CD2 4.32Å; L79-L97 HydrophobicContact CD2-CD2 4.48Å; L79-M100 HydrophobicContact CB-CE 3.45Å; L79-M100 VanDerWaalsContact CB-CE 3.45Å; L79-M100 HydrophobicContact CB-SD 3.55Å; L79-M100 VanDerWaalsContact CB-SD 3.55Å; L79-M100 HydrophobicContact CD1-CE 4.49Å; L79-M100 HydrophobicContact CD1-SD 3.52Å; L79-M100 VanDerWaalsContact CD1-SD 3.52Å; L79-M100 HydrophobicContact CG-CE 4.43Å; L79-M100 HydrophobicContact CG-SD 4.05Å
80S92.1Very high92.6Very high85 Ų8581.3 Ų81.359%0.59449%0.489SS*.Hα-helixtrans-65-36.8179.3-171.30000111.7K76 Q77 P78 C84K76-S80 VanDerWaalsContact O-CB 3.32Å; K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.24Å; Q77-S80 PolarHBondContact O-N 2.92Å; P78-S80 PolarHBondContact O-N 3.16Å; S80-C84 PolarHBondContact O-N 3.38Å
81A91.2Very high92.7Very high65 Ų6586.8 Ų86.854%0.53751%0.505SS..Hα-helixtrans-72-34.7177.600000112.8Q77 P78 L79 C84Q77-A81 WeakPolarHBondContact O-CB 3.41Å; Q77-A81 PolarHBondContact O-N 2.88Å; P78-A81 PolarHBondContact O-N 3.31Å; L79-A81 VanDerWaalsContact C-N 3.3Å; L79-A81 PolarHBondContact O-N 3.38Å; A81-C84 PolarHBondContact O-SG 3.43Å
82T91.3Very high92.9Very high76 Ų7685.8 Ų85.847%0.46650%0.502SS..Hα-helixtrans-75.4-43177.6-62.20000111.3P78 L79 V96P78-T82 WeakPolarHBondContact O-CB 3.39Å; P78-T82 PolarHBondContact O-N 3.37Å; P78-T82 PolarHBondContact O-OG1 3.03Å; L79-T82 PolarHBondContact O-N 3.22Å; T82-V96 HydrophobicContact CG2-CB 4.5Å; T82-V96 HydrophobicContact CG2-CG1 3.83Å; T82-V96 HydrophobicContact CG2-CG2 3.81Å
83L92.6Very high92.9Very high26 Ų2684.8 Ų84.814%0.13650%0.497CS..Hα-helixtrans-77.2-27.7-178.3-64.6179.4000112.7L79 G85 N86 V88 M93 V96L79-L83 HydrophobicContact CD1-CD1 3.65Å; L79-L83 HydrophobicContact CD1-CG 4.06Å; L79-L83 HydrophobicContact CG-CD1 3.94Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.98Å; L83-G85 PolarHBondContact O-N 3.45Å; L83-N86 WeakPolarHBondContact O-CB 3.33Å; L83-N86 PolarHBondContact O-N 2.99Å; L83-N86 PolarHBondContact O-ND2 2.88Å; L83-V88 HydrophobicContact CD2-CB 4.42Å; L83-V88 HydrophobicContact CD2-CG1 3.8Å; L83-V88 HydrophobicContact CD2-CG2 3.77Å; L83-M93 HydrophobicContact CD1-CE 3.74Å; L83-M93 HydrophobicContact CD1-SD 4.2Å; L83-V96 HydrophobicContact CD2-CG2 4.33Å
84C92.5Very high92.9Very high93 Ų9387.8 Ų87.863%0.62850%0.504SS*.THydrogen-bonded Turntrans50.828.4178.8-760000114.7S80 A81 N86S80-C84 PolarHBondContact O-N 3.38Å; A81-C84 PolarHBondContact O-SG 3.43Å; C84-N86 PolarHBondContact O-N 2.67Å
85G89.8Confident93Very high77 Ų7787.6 Ų87.679%0.79450%0.503SS*.THydrogen-bonded Turntrans745.8-175.600000115L83L83-G85 PolarHBondContact O-N 3.45Å
86N92.5Very high93.1Very high110 Ų11087 Ų8759%0.58850%0.497SS*.  trans-68.7143174.6-63.5-56.4000111L83 C84 V88L83-N86 WeakPolarHBondContact O-CB 3.33Å; L83-N86 PolarHBondContact O-N 2.99Å; L83-N86 PolarHBondContact O-ND2 2.88Å; C84-N86 PolarHBondContact O-N 2.67Å; N86-V88 HydrophobicContact CB-CG1 4.43Å; N86-V88 PolarHBondContact O-N 2.86Å
87I92.7Very high93.1Very high177 Ų17784.4 Ų84.491%0.90849%0.489SS*.  trans-76.1121.9165.2-59.4172.9000106.4
88V93.8Very high93.3Very high43 Ų4379.9 Ų79.926%0.26148%0.478SS..  trans-117.7152.9177.8-61.30000109.5L83 N86 T92 M93L83-V88 HydrophobicContact CD2-CB 4.42Å; L83-V88 HydrophobicContact CD2-CG1 3.8Å; L83-V88 HydrophobicContact CD2-CG2 3.77Å; N86-V88 HydrophobicContact CB-CG1 4.43Å; N86-V88 PolarHBondContact O-N 2.86Å; V88-T92 HydrophobicContact CB-CG2 3.83Å; V88-T92 HydrophobicContact CG1-CG2 3.9Å; V88-T92 HydrophobicContact CG2-CG2 4.48Å; V88-M93 HydrophobicContact CG2-CB 4.18Å; V88-M93 HydrophobicContact CG2-CE 3.57Å
89D96Very high93.5Very high94 Ų9483.1 Ų83.150%0.50349%0.489SS..  trans-73.9171.6171.658.241.3000112E91 T92 M93D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.14Å; D89-E91 PolarHBondContact OD1-N 2.83Å; D89-T92 PolarHBondContact O-N 3.32Å; D89-T92 WeakPolarHBondContact OD1-CB 3.25Å; D89-T92 PolarHBondContact OD1-N 3.03Å; D89-T92 PolarHBondContact OD1-OG1 2.69Å; D89-M93 WeakPolarHBondContact O-CB 3.37Å; D89-M93 PolarHBondContact O-N 3.04Å
90D95.1Very high93.5Very high138 Ų13881.7 Ų81.774%0.73848%0.481SS*.Hα-helixtrans-61.9-34.8-178.8-71.1-16.8000112.2M93 L94D90-M93 PolarHBondContact O-N 3.4Å; D90-L94 WeakPolarHBondContact O-CB 3.4Å; D90-L94 WeakPolarHBondContact O-CG 3.25Å; D90-L94 PolarHBondContact O-N 3.35Å
91E96.4Very high93.5Very high151 Ų15179.9 Ų79.971%0.70646%0.463SS*.Hα-helixtrans-69.8-44.7-178.2-174.3173.8-17500111.7D89 L94 T95D89-E91 VanDerWaalsContact C-N 3.27Å; D89-E91 PolarHBondContact O-N 3.14Å; D89-E91 PolarHBondContact OD1-N 2.83Å; E91-L94 PolarHBondContact O-N 2.67Å; E91-T95 PolarHBondContact O-N 3.33Å; E91-T95 PolarHBondContact O-OG1 3.16Å
92T94.6Very high93.6Very high58 Ų5879 Ų7936%0.35646%0.457SS..Hα-helixtrans-62.6-45174-56.90000110.3V88 D89 L94 T95 V96V88-T92 HydrophobicContact CB-CG2 3.83Å; V88-T92 HydrophobicContact CG1-CG2 3.9Å; V88-T92 HydrophobicContact CG2-CG2 4.48Å; D89-T92 PolarHBondContact O-N 3.32Å; D89-T92 WeakPolarHBondContact OD1-CB 3.25Å; D89-T92 PolarHBondContact OD1-N 3.03Å; D89-T92 PolarHBondContact OD1-OG1 2.69Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 3.4Å; T92-T95 PolarHBondContact O-N 3.37Å; T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.36Å; T92-V96 PolarHBondContact O-N 2.87Å
93M94.3Very high93.7Very high62 Ų6281.2 Ų81.231%0.30547%0.465SS..Hα-helixtrans-59.8-43.8176.5-175.962.26900111.9L79 L83 V88 D89 D90 T95 V96 L97L79-M93 HydrophobicContact CD1-SD 4.46Å; L83-M93 HydrophobicContact CD1-CE 3.74Å; L83-M93 HydrophobicContact CD1-SD 4.2Å; V88-M93 HydrophobicContact CG2-CB 4.18Å; V88-M93 HydrophobicContact CG2-CE 3.57Å; D89-M93 WeakPolarHBondContact O-CB 3.37Å; D89-M93 PolarHBondContact O-N 3.04Å; D90-M93 PolarHBondContact O-N 3.4Å; M93-T95 VanDerWaalsContact C-N 3.33Å; M93-T95 PolarHBondContact O-N 3.06Å; M93-V96 PolarHBondContact O-N 3.3Å; M93-L97 HydrophobicContact CG-CD1 4.01Å; M93-L97 WeakPolarHBondContact O-CB 3.45Å; M93-L97 VanDerWaalsContact O-CG 3.24Å; M93-L97 WeakPolarHBondContact O-CG 3.31Å; M93-L97 PolarHBondContact O-N 3.41Å; M93-L97 HydrophobicContact SD-CD1 4.29Å; M93-L97 HydrophobicContact SD-CG 4.34Å
94L94.1Very high93.7Very high121 Ų12181.8 Ų81.863%0.63447%0.468SS*.Hα-helixtrans-62.1-41.6177.1-75.3170.8000112D90 E91 T92 L97 A98D90-L94 WeakPolarHBondContact O-CB 3.4Å; D90-L94 WeakPolarHBondContact O-CG 3.25Å; D90-L94 PolarHBondContact O-N 3.35Å; E91-L94 PolarHBondContact O-N 2.67Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.44Å; L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 3.32Å
95T94.9Very high93.7Very high72 Ų7278.6 Ų78.644%0.44244%0.444SS..Hα-helixtrans-62.6-51.7177.7-59.30000110.9E91 T92 M93 L97 A98 E99E91-T95 PolarHBondContact O-N 3.33Å; E91-T95 PolarHBondContact O-OG1 3.16Å; T92-T95 PolarHBondContact O-N 3.37Å; M93-T95 VanDerWaalsContact C-N 3.33Å; M93-T95 PolarHBondContact O-N 3.06Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 2.96Å; T95-A98 WeakPolarHBondContact O-CB 3.38Å; T95-A98 PolarHBondContact O-N 3.16Å; T95-E99 WeakPolarHBondContact O-CG 3.29Å; T95-E99 PolarHBondContact O-N 2.91Å
96V94.3Very high93.8Very high11 Ų1176.6 Ų76.67%0.06742%0.424CS..Hα-helixtrans-58.7-44179173.30000111L79 T82 L83 T92 M93 A98 E99 M100L79-V96 HydrophobicContact CD1-CG1 3.64Å; T82-V96 HydrophobicContact CG2-CB 4.5Å; T82-V96 HydrophobicContact CG2-CG1 3.83Å; T82-V96 HydrophobicContact CG2-CG2 3.81Å; L83-V96 HydrophobicContact CD2-CG2 4.33Å; T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.36Å; T92-V96 PolarHBondContact O-N 2.87Å; M93-V96 PolarHBondContact O-N 3.3Å; V96-A98 VanDerWaalsContact C-N 3.32Å; V96-A98 PolarHBondContact O-N 3.45Å; V96-E99 PolarHBondContact O-N 3.33Å; V96-M100 HydrophobicContact CG1-CG 4.4Å; V96-M100 HydrophobicContact CG1-SD 3.95Å; V96-M100 WeakPolarHBondContact O-CB 3.43Å; V96-M100 WeakPolarHBondContact O-CG 2.97Å; V96-M100 PolarHBondContact O-N 2.86Å
97L94Very high93.8Very high79 Ų7975.2 Ų75.241%0.41441%0.411SS..Hα-helixtrans-63.9-35.6177.4-71.9171.9000112.7L79 M93 L94 T95 E101L79-L97 HydrophobicContact CD1-CD2 4.32Å; L79-L97 HydrophobicContact CD2-CD2 4.48Å; M93-L97 HydrophobicContact CG-CD1 4.01Å; M93-L97 WeakPolarHBondContact O-CB 3.45Å; M93-L97 VanDerWaalsContact O-CG 3.24Å; M93-L97 WeakPolarHBondContact O-CG 3.31Å; M93-L97 PolarHBondContact O-N 3.41Å; M93-L97 HydrophobicContact SD-CD1 4.29Å; M93-L97 HydrophobicContact SD-CG 4.34Å; L94-L97 PolarHBondContact O-N 3.44Å; T95-L97 VanDerWaalsContact C-N 3.31Å; T95-L97 PolarHBondContact O-N 2.96Å; L97-E101 WeakPolarHBondContact O-CB 3.32Å; L97-E101 PolarHBondContact O-N 2.88Å
98A94.1Very high93.8Very high55 Ų5571.2 Ų71.246%0.45540%0.396SS..Hα-helixtrans-69.4-43.417700000112L94 T95 V96 M100 E101 A102L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 3.32Å; T95-A98 WeakPolarHBondContact O-CB 3.38Å; T95-A98 PolarHBondContact O-N 3.16Å; V96-A98 VanDerWaalsContact C-N 3.32Å; V96-A98 PolarHBondContact O-N 3.45Å; A98-M100 VanDerWaalsContact C-N 3.33Å; A98-M100 PolarHBondContact O-N 3.31Å; A98-E101 PolarHBondContact O-N 3.41Å; A98-A102 PolarHBondContact O-N 2.94Å
99E94.1Very high93.7Very high111 Ų11172.9 Ų72.952%0.51940%0.403SS..Hα-helixtrans-61.2-44.4174.9-69.8177.8158.900111.2T95 V96 E101 A102 L103T95-E99 WeakPolarHBondContact O-CG 3.29Å; T95-E99 PolarHBondContact O-N 2.91Å; V96-E99 PolarHBondContact O-N 3.33Å; E99-E101 PolarHBondContact O-N 3.14Å; E99-A102 WeakPolarHBondContact O-CB 3.27Å; E99-A102 PolarHBondContact O-N 2.96Å; E99-A102 VanDerWaalsContact O-N 3.14Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.04Å
100M93.3Very high93.5Very high11 Ų1172.4 Ų72.45%0.05440%0.404CS..Hα-helixtrans-62.4-42.4175.1-75.7179.375.800113.2A75 P78 L79 V96 A98 A102 L103 L104A75-M100 HydrophobicContact CB-CE 4.3Å; A75-M100 WeakPolarHBondContact O-CE 3.48Å; P78-M100 HydrophobicContact CB-CE 4.39Å; P78-M100 HydrophobicContact CG-CE 3.89Å; L79-M100 HydrophobicContact CB-CE 3.45Å; L79-M100 VanDerWaalsContact CB-CE 3.45Å; L79-M100 HydrophobicContact CB-SD 3.55Å; L79-M100 VanDerWaalsContact CB-SD 3.55Å; L79-M100 HydrophobicContact CD1-CE 4.49Å; L79-M100 HydrophobicContact CD1-SD 3.52Å; L79-M100 VanDerWaalsContact CD1-SD 3.52Å; L79-M100 HydrophobicContact CG-CE 4.43Å; L79-M100 HydrophobicContact CG-SD 4.05Å; V96-M100 HydrophobicContact CG1-CG 4.4Å; V96-M100 HydrophobicContact CG1-SD 3.95Å; V96-M100 WeakPolarHBondContact O-CB 3.43Å; V96-M100 WeakPolarHBondContact O-CG 2.97Å; V96-M100 PolarHBondContact O-N 2.86Å; A98-M100 VanDerWaalsContact C-N 3.33Å; A98-M100 PolarHBondContact O-N 3.31Å; M100-A102 PolarHBondContact O-N 3.49Å; M100-L103 PolarHBondContact O-N 2.79Å; M100-L104 WeakPolarHBondContact O-CB 2.73Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.15Å; M100-L104 PolarHBondContact O-N 3.37Å
101E92.5Very high93.3Very high47 Ų4771.1 Ų71.122%0.2240%0.397CS..Hα-helixtrans-59.5-39.6173.7-178.4178161.300110.7R16 K17 L97 A98 E99 N105R16-E101 IonicContact CZ-OE2 2.67Å; R16-E101 IonicContact NH1-OE2 3.91Å; R16-E101 PolarHBondContact NH1-OE2 3.29Å; R16-E101 IonicContact NH2-OE2 3.62Å; K17-E101 WeakPolarHBondContact CE-OE1 3.24Å; K17-E101 IonicContact NZ-OE1 3.68Å; K17-E101 PolarHBondContact NZ-OE1 3.5Å; L97-E101 WeakPolarHBondContact O-CB 3.32Å; L97-E101 PolarHBondContact O-N 2.88Å; A98-E101 PolarHBondContact O-N 3.41Å; E99-E101 PolarHBondContact O-N 3.14Å; E101-N105 VanDerWaalsContact CG-ND2 3.32Å; E101-N105 WeakPolarHBondContact CG-ND2 3.35Å; E101-N105 VanDerWaalsContact O-CB 3.31Å; E101-N105 WeakPolarHBondContact O-CB 3.47Å; E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.25Å; E101-N105 PolarHBondContact O-ND2 2.96Å
102A93.2Very high92.8Very high48 Ų4868.7 Ų68.740%0.39739%0.388SS..Hα-helixtrans-65.3-45.8175.500000112.3A98 E99 M100 N105 G106 F125A98-A102 PolarHBondContact O-N 2.94Å; E99-A102 WeakPolarHBondContact O-CB 3.27Å; E99-A102 PolarHBondContact O-N 2.96Å; E99-A102 VanDerWaalsContact O-N 3.14Å; M100-A102 PolarHBondContact O-N 3.49Å; A102-N105 PolarHBondContact O-N 3Å; A102-G106 PolarHBondContact O-N 3.4Å; A102-F125 HydrophobicContact CB-CZ 4.4Å; A102-F125 WeakPolarHBondContact O-CE2 2.99Å
103L92.8Very high92.4Very high121 Ų12169 Ų6963%0.63439%0.39SS*.Hα-helixtrans-61.8-47.3176.8-70.4172.6000112E99 M100 N105 G106 R107E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.04Å; M100-L103 PolarHBondContact O-N 2.79Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 3.46Å; L103-G106 PolarHBondContact O-N 2.99Å; L103-R107 PolarHBondContact O-N 3.44Å; L103-R107 VanDerWaalsContact O-N 3.14Å
104L92.9Very high92Very high38 Ų3874.3 Ų74.320%0.19942%0.419CS..Hα-helixtrans-63-38.4179.6-72171.6000111.7V74 A75 M100 R107V74-L104 HydrophobicContact CB-CD2 4.48Å; V74-L104 HydrophobicContact CG1-CD2 3.7Å; A75-L104 HydrophobicContact CB-CD1 3.7Å; M100-L104 WeakPolarHBondContact O-CB 2.73Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.15Å; M100-L104 PolarHBondContact O-N 3.37Å; L104-R107 WeakPolarHBondContact O-CD 3.35Å; L104-R107 VanDerWaalsContact O-CG 3.25Å; L104-R107 WeakPolarHBondContact O-CG 3.4Å; L104-R107 PolarHBondContact O-NH1 3.33Å
105N92.1Very high91.6Very high26 Ų2672.4 Ų72.414%0.13941%0.41CS..Hα-helixtrans-83.9-19.5179.8-69.1-46.3000113.8E101 A102 L103 P124 F125 L128E101-N105 VanDerWaalsContact CG-ND2 3.32Å; E101-N105 WeakPolarHBondContact CG-ND2 3.35Å; E101-N105 VanDerWaalsContact O-CB 3.31Å; E101-N105 WeakPolarHBondContact O-CB 3.47Å; E101-N105 VanDerWaalsContact O-CG 3.3Å; E101-N105 PolarHBondContact O-N 3.25Å; E101-N105 PolarHBondContact O-ND2 2.96Å; A102-N105 PolarHBondContact O-N 3Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 3.46Å; N105-P124 HydrophobicContact CB-CB 4.38Å; N105-P124 WeakPolarHBondContact O-CD 3.48Å; N105-F125 HydrophobicContact CB-CD1 3.49Å; N105-F125 VanDerWaalsContact CB-CD1 3.49Å; N105-F125 HydrophobicContact CB-CD2 3.8Å; N105-F125 HydrophobicContact CB-CE1 3.34Å; N105-F125 HydrophobicContact CB-CE2 3.67Å; N105-F125 HydrophobicContact CB-CG 3.71Å; N105-F125 HydrophobicContact CB-CZ 3.46Å; N105-F125 VanDerWaalsContact CB-CZ 3.46Å; N105-F125 VanDerWaalsContact O-CD2 3.29Å; N105-F125 WeakPolarHBondContact O-CD2 3.4Å; N105-F125 WeakPolarHBondContact O-CG 3.42Å; N105-F125 PolarHBondContact O-N 3.34Å; N105-L128 HydrophobicContact CB-CD1 4.48Å
106G92.8Very high90.9Very high36 Ų3674.7 Ų74.737%0.37143%0.426SS..Hα-helixtrans-87.9-4.4173.800000114.1A102 L103 T123A102-G106 PolarHBondContact O-N 3.4Å; L103-G106 PolarHBondContact O-N 2.99Å; G106-T123 WeakPolarHBondContact O-CG2 3.34Å
107R91.7Very high90.4Very high81 Ų8180.4 Ų80.431%0.30646%0.456SS..SBendtrans-64140.9-179.781-174.1-176.1-99.3-0.9111.5L71 L103 L104 L109 T123 P124L71-R107 VanDerWaalsContact CD2-NH2 3.34Å; L103-R107 PolarHBondContact O-N 3.44Å; L103-R107 VanDerWaalsContact O-N 3.14Å; L104-R107 WeakPolarHBondContact O-CD 3.35Å; L104-R107 VanDerWaalsContact O-CG 3.25Å; L104-R107 WeakPolarHBondContact O-CG 3.4Å; L104-R107 PolarHBondContact O-NH1 3.33Å; R107-L109 PolarHBondContact O-N 2.94Å; R107-T123 WeakPolarHBondContact O-CA 3.24Å; R107-P124 HydrophobicContact CG-CG 4.14Å; R107-P124 WeakPolarHBondContact O-CD 3.47Å
108P92.7Very high89.8Confident93 Ų9379 Ų7960%0.60445%0.453SS*.  trans-65.3132.9172.226.6-33.4000111.1P121P108-P121 HydrophobicContact CB-CB 3.61Å; P108-P121 HydrophobicContact CB-CG 3.75Å
109L91.7Very high89.2Confident78 Ų7882.6 Ų82.641%0.40847%0.469SS..  trans-96-48.4170.7-61.5177.9000111.3R107 L122 P124 L127R107-L109 PolarHBondContact O-N 2.94Å; L109-L122 WeakPolarHBondContact CA-O 3.39Å; L109-L122 VanDerWaalsContact CB-O 3.32Å; L109-L122 WeakPolarHBondContact CB-O 3.36Å; L109-L122 PolarHBondContact N-O 3.48Å; L109-P124 HydrophobicContact CD1-CG 4.17Å; L109-P124 HydrophobicContact CD2-CG 4Å; L109-P124 HydrophobicContact CG-CG 4.17Å; L109-L127 HydrophobicContact CD1-CD1 3.71Å
110T91.9Very high88.9Confident83 Ų8383.1 Ų83.151%0.50947%0.471SS..EExtended strand (participates in β ladder)trans-161.7158.6179.6-175.10000109.2L122T110-L122 HydrophobicContact CG2-CB 3.99Å; T110-L122 HydrophobicContact CG2-CD2 3.97Å; T110-L122 WeakPolarHBondContact O-CB 3.32Å; T110-L122 PolarHBondContact O-N 2.99Å
111N90.1Very high88.9Confident111 Ų11184.2 Ų84.259%0.59448%0.479SS*.EExtended strand (participates in β ladder)trans-70.7147.3166.2-62.6-25.9000109.5
112L87.1Confident88.9Confident100 Ų10083.9 Ų83.952%0.52448%0.478SS..SBendtrans-79.8-28.2177.3-72172.4000112.4L122L112-L122 HydrophobicContact CD2-CB 3.82Å; L112-L122 HydrophobicContact CD2-CD1 4.09Å; L112-L122 HydrophobicContact CD2-CG 4.42Å; L112-L122 HydrophobicContact CG-CB 4.24Å
113T85.8Confident88.9Confident64 Ų6482.2 Ų82.239%0.39346%0.463SS..  trans-142.7164-178.8700000109.9D115 C118T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 PolarHBondContact OG1-N 3.48Å; T113-C118 WeakPolarHBondContact OG1-CB 3.34Å
114D85.1Confident88.9Confident174 Ų17477.1 Ų77.193%0.9344%0.438SS*.SBendtrans-86.23.9171-61.2-43.6000112.4P116D114-P116 WeakPolarHBondContact O-CD 3.35Å
115D86.3Confident88.9Confident82 Ų8278.8 Ų78.844%0.43944%0.443SS..  trans-72.8117.6178.7-178.8-1.3000109.5T113 N117 C118T113-D115 VanDerWaalsContact C-N 3.26Å; T113-D115 PolarHBondContact OG1-N 3.48Å; D115-N117 PolarHBondContact O-N 3.4Å; D115-N117 WeakPolarHBondContact OD1-CB 3.45Å; D115-N117 PolarHBondContact OD1-N 3.41Å; D115-N117 PolarHBondContact OD1-ND2 3.06Å; D115-C118 HydrophobicContact CB-CB 4.21Å; D115-C118 PolarHBondContact O-N 2.96Å
116P81.5Confident88.9Confident119 Ų11979 Ų7977%0.77344%0.444SS*.THydrogen-bonded Turntrans-62-15.9179.127.1-36.3000113.5D114D114-P116 WeakPolarHBondContact O-CD 3.35Å
117N83.5Confident88.8Confident131 Ų13182.3 Ų82.370%0.70145%0.452SS*.THydrogen-bonded Turntrans-86-12.8175.7-53.5-69.2000113.1D115 V119D115-N117 PolarHBondContact O-N 3.4Å; D115-N117 WeakPolarHBondContact OD1-CB 3.45Å; D115-N117 PolarHBondContact OD1-N 3.41Å; D115-N117 PolarHBondContact OD1-ND2 3.06Å; N117-V119 PolarHBondContact O-N 3Å
118C80.5Confident88.6Confident51 Ų5182.2 Ų82.235%0.34546%0.457SS..  trans-88.194.8175.1-167.50000109.5T113 D115T113-C118 WeakPolarHBondContact OG1-CB 3.34Å; D115-C118 HydrophobicContact CB-CB 4.21Å; D115-C118 PolarHBondContact O-N 2.96Å
119V81.7Confident88.4Confident130 Ų13082.6 Ų82.679%0.78845%0.453SS*.  trans-84.3-13.6-172.2-170.20000112.6N117 P121N117-V119 PolarHBondContact O-N 3Å; V119-P121 VanDerWaalsContact O-CD 3.27Å; V119-P121 WeakPolarHBondContact O-CD 3.4Å
120E88.7Confident87.9Confident122 Ų12284.8 Ų84.857%0.5747%0.465SS*.  trans-87.3114.7-172.8-171.5167.1-15700112.3H126E120-H126 IonicContact OE1-CE1 3.54Å; E120-H126 IonicContact OE1-NE2 2.69Å
121P91.8Very high86.7Confident33 Ų3392.3 Ų92.321%0.21448%0.484CS..EExtended strand (participates in β ladder)trans-79.7154.5176.433.7-34.5000111.2P108 V119 T123 H126P108-P121 HydrophobicContact CB-CB 3.61Å; P108-P121 HydrophobicContact CB-CG 3.75Å; V119-P121 VanDerWaalsContact O-CD 3.27Å; V119-P121 WeakPolarHBondContact O-CD 3.4Å; P121-T123 HydrophobicContact CG-CG2 4.34Å; P121-T123 PolarHBondContact O-N 2.98Å; P121-H126 PolarHBondContact O-CE1 3.49Å; P121-H126 PolarHBondContact O-ND1 3.34Å
122L92.3Very high86.6Confident40 Ų4091.4 Ų91.421%0.20948%0.479CS..EExtended strand (participates in β ladder)trans-64.8123.7164.2-177.669.1000109.1L109 T110 L112 H126 L127L109-L122 WeakPolarHBondContact CA-O 3.39Å; L109-L122 VanDerWaalsContact CB-O 3.32Å; L109-L122 WeakPolarHBondContact CB-O 3.36Å; L109-L122 PolarHBondContact N-O 3.48Å; T110-L122 HydrophobicContact CG2-CB 3.99Å; T110-L122 HydrophobicContact CG2-CD2 3.97Å; T110-L122 WeakPolarHBondContact O-CB 3.32Å; T110-L122 PolarHBondContact O-N 2.99Å; L112-L122 HydrophobicContact CD2-CB 3.82Å; L112-L122 HydrophobicContact CD2-CD1 4.09Å; L112-L122 HydrophobicContact CD2-CG 4.42Å; L112-L122 HydrophobicContact CG-CB 4.24Å; L122-H126 HydrophobicContact CD1-CB 3.72Å; L122-L127 HydrophobicContact CD1-CD2 4.22Å; L122-L127 HydrophobicContact CD2-CD2 4.39Å
123T94.2Very high86.5Confident13 Ų1390.9 Ų90.98%0.0848%0.477CS..  trans-113.4162.117767.60000110.8G106 R107 P121 F125 H126 L127G106-T123 WeakPolarHBondContact O-CG2 3.34Å; R107-T123 WeakPolarHBondContact O-CA 3.24Å; P121-T123 HydrophobicContact CG-CG2 4.34Å; P121-T123 PolarHBondContact O-N 2.98Å; T123-F125 PolarHBondContact O-N 2.83Å; T123-F125 PolarHBondContact OG1-N 2.95Å; T123-H126 PolarHBondContact N-ND1 3.33Å; T123-H126 VanDerWaalsContact N-ND1 3.19Å; T123-H126 WeakPolarHBondContact O-CB 3.41Å; T123-H126 PolarHBondContact O-N 3.47Å; T123-H126 VanDerWaalsContact O-N 3.13Å; T123-H126 PolarHBondContact OG1-CD2 2.93Å; T123-H126 PolarHBondContact OG1-N 2.99Å; T123-H126 PolarHBondContact OG1-NE2 3.04Å; T123-L127 PolarHBondContact O-N 2.95Å
124P92.9Very high86.6Confident15 Ų1592.4 Ų92.410%0.09748%0.481CS..Hα-helixtrans-56.8-30169.2-23.130.5000113.4N105 R107 L109 H126 L127 L128N105-P124 HydrophobicContact CB-CB 4.38Å; N105-P124 WeakPolarHBondContact O-CD 3.48Å; R107-P124 HydrophobicContact CG-CG 4.14Å; R107-P124 WeakPolarHBondContact O-CD 3.47Å; L109-P124 HydrophobicContact CD1-CG 4.17Å; L109-P124 HydrophobicContact CD2-CG 4Å; L109-P124 HydrophobicContact CG-CG 4.17Å; P124-H126 VanDerWaalsContact C-N 3.31Å; P124-H126 PolarHBondContact O-N 2.75Å; P124-L127 PolarHBondContact O-N 3.25Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.44Å; P124-L128 PolarHBondContact O-N 3Å
125F92.7Very high86.7Confident72 Ų7287.6 Ų87.632%0.31646%0.455SS..Hα-helixtrans-59.4-42.7174.8-84-45.5000112.2A102 N105 T123 L127 L128 I129A102-F125 HydrophobicContact CB-CZ 4.4Å; A102-F125 WeakPolarHBondContact O-CE2 2.99Å; N105-F125 HydrophobicContact CB-CD1 3.49Å; N105-F125 VanDerWaalsContact CB-CD1 3.49Å; N105-F125 HydrophobicContact CB-CD2 3.8Å; N105-F125 HydrophobicContact CB-CE1 3.34Å; N105-F125 HydrophobicContact CB-CE2 3.67Å; N105-F125 HydrophobicContact CB-CG 3.71Å; N105-F125 HydrophobicContact CB-CZ 3.46Å; N105-F125 VanDerWaalsContact CB-CZ 3.46Å; N105-F125 VanDerWaalsContact O-CD2 3.29Å; N105-F125 WeakPolarHBondContact O-CD2 3.4Å; N105-F125 WeakPolarHBondContact O-CG 3.42Å; N105-F125 PolarHBondContact O-N 3.34Å; T123-F125 PolarHBondContact O-N 2.83Å; T123-F125 PolarHBondContact OG1-N 2.95Å; F125-L127 VanDerWaalsContact C-N 3.3Å; F125-L127 PolarHBondContact O-N 2.77Å; F125-L128 HydrophobicContact CD1-CD1 4.4Å; F125-L128 PolarHBondContact O-N 3.36Å; F125-L128 VanDerWaalsContact O-N 3.09Å; F125-I129 VanDerWaalsContact O-CG1 3.29Å; F125-I129 WeakPolarHBondContact O-CG1 3.17Å; F125-I129 PolarHBondContact O-N 3.48Å
126H92.4Very high86.7Confident32 Ų3288 Ų8815%0.14846%0.456CS..Hα-helixtrans-55.5-47.2176.1-62.3167.5000111E120 P121 L122 T123 P124 L128 I129 N130 R131E120-H126 IonicContact OE1-CE1 3.54Å; E120-H126 IonicContact OE1-NE2 2.69Å; P121-H126 PolarHBondContact O-CE1 3.49Å; P121-H126 PolarHBondContact O-ND1 3.34Å; L122-H126 HydrophobicContact CD1-CB 3.72Å; T123-H126 PolarHBondContact N-ND1 3.33Å; T123-H126 VanDerWaalsContact N-ND1 3.19Å; T123-H126 WeakPolarHBondContact O-CB 3.41Å; T123-H126 PolarHBondContact O-N 3.47Å; T123-H126 VanDerWaalsContact O-N 3.13Å; T123-H126 PolarHBondContact OG1-CD2 2.93Å; T123-H126 PolarHBondContact OG1-N 2.99Å; T123-H126 PolarHBondContact OG1-NE2 3.04Å; P124-H126 VanDerWaalsContact C-N 3.31Å; P124-H126 PolarHBondContact O-N 2.75Å; H126-L128 PolarHBondContact O-N 3.47Å; H126-I129 PolarHBondContact O-N 3.23Å; H126-N130 WeakPolarHBondContact O-CA 3.21Å; H126-N130 PolarHBondContact O-N 3.43Å; H126-R131 VanDerWaalsContact C-OXT 3.26Å; H126-R131 WeakPolarHBondContact CA-OXT 3.35Å; H126-R131 WeakPolarHBondContact CB-OXT 3.21Å; H126-R131 PolarHBondContact O-N 2.94Å; H126-R131 VanDerWaalsContact O-N 3.16Å
127L90.6Very high87Confident105 Ų10585.9 Ų85.955%0.5544%0.435SS..Hα-helixtrans-65.5-35.3176.5-58.7179.3000113.4L109 L122 T123 P124 F125L109-L127 HydrophobicContact CD1-CD1 3.71Å; L122-L127 HydrophobicContact CD1-CD2 4.22Å; L122-L127 HydrophobicContact CD2-CD2 4.39Å; T123-L127 PolarHBondContact O-N 2.95Å; P124-L127 PolarHBondContact O-N 3.25Å; F125-L127 VanDerWaalsContact C-N 3.3Å; F125-L127 PolarHBondContact O-N 2.77Å
128L87.7Confident87.3Confident79 Ų7982.7 Ų82.741%0.41442%0.416SS..Hα-helixtrans-74.1-35.2-178.9-73.8173.1000113N105 P124 F125 H126N105-L128 HydrophobicContact CB-CD1 4.48Å; P124-L128 VanDerWaalsContact O-CG 3.29Å; P124-L128 WeakPolarHBondContact O-CG 3.44Å; P124-L128 PolarHBondContact O-N 3Å; F125-L128 HydrophobicContact CD1-CD1 4.4Å; F125-L128 PolarHBondContact O-N 3.36Å; F125-L128 VanDerWaalsContact O-N 3.09Å; H126-L128 PolarHBondContact O-N 3.47Å
129I87.3Confident87.8Confident100 Ų10085.2 Ų85.251%0.51342%0.421SS..Hα-helixtrans-96.1-4.2-177.572.7-171.9000113.2F125 H126 R131F125-I129 VanDerWaalsContact O-CG1 3.29Å; F125-I129 WeakPolarHBondContact O-CG1 3.17Å; F125-I129 PolarHBondContact O-N 3.48Å; H126-I129 PolarHBondContact O-N 3.23Å; I129-R131 HydrophobicContact CD1-CB 4.01Å; I129-R131 HydrophobicContact CD1-CG 4.31Å; I129-R131 HydrophobicContact CG1-CB 3.83Å; I129-R131 HydrophobicContact CG1-CG 4.06Å
130N81.3Confident88.3Confident125 Ų12581.4 Ų81.467%0.66839%0.391SS*.THydrogen-bonded Turntrans54.946.8-172.3-55.3-63.6000112.6H126H126-N130 WeakPolarHBondContact O-CA 3.21Å; H126-N130 PolarHBondContact O-N 3.43Å
131R67.9Low88.3Confident241 Ų24177.7 Ų77.791%0.90937%0.374SS*.  trans-131.10170-66.9-174176.1-148.7-0.8108.5H126 I129H126-R131 VanDerWaalsContact C-OXT 3.26Å; H126-R131 WeakPolarHBondContact CA-OXT 3.35Å; H126-R131 WeakPolarHBondContact CB-OXT 3.21Å; H126-R131 PolarHBondContact O-N 2.94Å; H126-R131 VanDerWaalsContact O-N 3.16Å; I129-R131 HydrophobicContact CD1-CB 4.01Å; I129-R131 HydrophobicContact CD1-CG 4.31Å; I129-R131 HydrophobicContact CG1-CB 3.83Å; I129-R131 HydrophobicContact CG1-CG 4.06Å

Retrieved 131 of 131 residues in 28.6 ms (Link to these results)

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