G4M0R8_SCHMA Loading...

Protein UXT homolog

AlphaFold DB , UniProt , Accession G4M0R8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M58.9Low84.4Confident184 Ų184102.5 Ų102.591%0.90647%0.473SS*.  0138.50-145.8176.7-7600107.7Q3 L6M1-Q3 PolarHBondContact O-N 3.15Å; M1-L6 HydrophobicContact SD-CD2 3.99Å
2D79.2Confident85.1Confident60 Ų6094.1 Ų94.132%0.32143%0.434SS..  trans-67.3128.6-173.3-143.3-53.7000110.8R4 I5 L6 K139D2-R4 PolarHBondContact O-N 3.44Å; D2-R4 VanDerWaalsContact O-N 3.09Å; D2-I5 HydrophobicContact CB-CB 4.21Å; D2-I5 HydrophobicContact CB-CD1 3.8Å; D2-I5 HydrophobicContact CB-CG1 3.9Å; D2-I5 WeakPolarHBondContact O-CB 3.45Å; D2-I5 PolarHBondContact O-N 3.47Å; D2-L6 PolarHBondContact O-N 2.94Å; D2-K139 VanDerWaalsContact CB-NZ 3.34Å; D2-K139 WeakPolarHBondContact OD2-CE 3.43Å; D2-K139 IonicContact OD2-NZ 2.65Å; D2-K139 PolarHBondContact OD2-NZ 3.43Å
3Q83.3Confident85.7Confident151 Ų15192.2 Ų92.271%0.70643%0.429SS*.Hα-helixtrans-56.2-29.5177.8-79.5-171.2-13.400112M1 K7M1-Q3 PolarHBondContact O-N 3.15Å; Q3-K7 WeakPolarHBondContact O-CG 3.05Å; Q3-K7 PolarHBondContact O-N 2.65Å; Q3-K7 VanDerWaalsContact O-N 3.15Å
4R81.3Confident86.2Confident196 Ų19694.7 Ų94.774%0.7444%0.441SS*.Hα-helixtrans-65.9-40174.9-73.4-179.3175.4-173.6-0.7112.7D2 K7 I8D2-R4 PolarHBondContact O-N 3.44Å; D2-R4 VanDerWaalsContact O-N 3.09Å; R4-K7 PolarHBondContact O-N 3.17Å; R4-I8 WeakPolarHBondContact O-CG1 3.41Å; R4-I8 PolarHBondContact O-N 3.36Å
5I86.4Confident86.8Confident10 Ų1091.9 Ų91.95%0.05143%0.433CS..Hα-helixtrans-63.5-48.7178.2-71.2172000109.5D2 K7 I8 E9 L132 Q136D2-I5 HydrophobicContact CB-CB 4.21Å; D2-I5 HydrophobicContact CB-CD1 3.8Å; D2-I5 HydrophobicContact CB-CG1 3.9Å; D2-I5 WeakPolarHBondContact O-CB 3.45Å; D2-I5 PolarHBondContact O-N 3.47Å; I5-K7 VanDerWaalsContact C-N 3.33Å; I5-K7 PolarHBondContact O-N 2.98Å; I5-I8 PolarHBondContact O-N 3.25Å; I5-I8 VanDerWaalsContact O-N 3.14Å; I5-E9 HydrophobicContact CG2-CG 4.38Å; I5-E9 WeakPolarHBondContact O-CG 3.32Å; I5-E9 PolarHBondContact O-N 3.29Å; I5-L132 HydrophobicContact CB-CD2 4.27Å; I5-L132 HydrophobicContact CG1-CD2 4.27Å; I5-L132 HydrophobicContact CG2-CD2 3.95Å; I5-Q136 HydrophobicContact CD1-CG 4.01Å
6L88Confident87.4Confident84 Ų8486.7 Ų86.744%0.4441%0.409SS..Hα-helixtrans-58.4-43.4179.4-70.1169.9000112.2M1 D2 I8 E9 E10M1-L6 HydrophobicContact SD-CD2 3.99Å; D2-L6 PolarHBondContact O-N 2.94Å; L6-I8 VanDerWaalsContact C-N 3.34Å; L6-I8 PolarHBondContact O-N 3.09Å; L6-E9 PolarHBondContact O-N 2.78Å; L6-E10 WeakPolarHBondContact O-CB 3.4Å; L6-E10 PolarHBondContact O-N 2.92Å
7K88Confident88Confident140 Ų14087.6 Ų87.661%0.60941%0.411SS*.Hα-helixtrans-62.9-38.2177.2-75.9-177.7178.1-175.60113.1Q3 R4 I5 H11Q3-K7 WeakPolarHBondContact O-CG 3.05Å; Q3-K7 PolarHBondContact O-N 2.65Å; Q3-K7 VanDerWaalsContact O-N 3.15Å; R4-K7 PolarHBondContact O-N 3.17Å; I5-K7 VanDerWaalsContact C-N 3.33Å; I5-K7 PolarHBondContact O-N 2.98Å; K7-H11 WeakPolarHBondContact O-CB 3.46Å; K7-H11 PolarHBondContact O-N 2.94Å
8I88.2Confident88.5Confident42 Ų4285.7 Ų85.722%0.21541%0.407CS..Hα-helixtrans-70.5-43.7177.7-64165.5000110R4 I5 L6 E10 H11 V12 F128 L132 L135R4-I8 WeakPolarHBondContact O-CG1 3.41Å; R4-I8 PolarHBondContact O-N 3.36Å; I5-I8 PolarHBondContact O-N 3.25Å; I5-I8 VanDerWaalsContact O-N 3.14Å; L6-I8 VanDerWaalsContact C-N 3.34Å; L6-I8 PolarHBondContact O-N 3.09Å; I8-E10 VanDerWaalsContact C-N 3.35Å; I8-E10 PolarHBondContact O-N 3.35Å; I8-H11 PolarHBondContact O-N 3.43Å; I8-V12 HydrophobicContact CG2-CG2 4.4Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.14Å; I8-F128 HydrophobicContact CG2-CB 4.23Å; I8-F128 HydrophobicContact CG2-CD1 3.66Å; I8-F128 HydrophobicContact CG2-CE1 4.49Å; I8-F128 HydrophobicContact CG2-CG 4.35Å; I8-L132 HydrophobicContact CB-CD1 4.42Å; I8-L132 HydrophobicContact CB-CD2 3.85Å; I8-L132 HydrophobicContact CB-CG 4.22Å; I8-L132 HydrophobicContact CD1-CD2 4.16Å; I8-L132 HydrophobicContact CG2-CD1 3.79Å; I8-L132 HydrophobicContact CG2-CD2 3.86Å; I8-L132 HydrophobicContact CG2-CG 3.65Å; I8-L135 HydrophobicContact CD1-CD1 4.22Å
9E90Very high89Confident62 Ų6284.3 Ų84.329%0.2940%0.402SS..Hα-helixtrans-59.7-45.1176.2-72.9178159.900111.7I5 L6 V12 N13 L132I5-E9 HydrophobicContact CG2-CG 4.38Å; I5-E9 WeakPolarHBondContact O-CG 3.32Å; I5-E9 PolarHBondContact O-N 3.29Å; L6-E9 PolarHBondContact O-N 2.78Å; E9-V12 PolarHBondContact O-N 3.26Å; E9-N13 WeakPolarHBondContact O-CB 3.32Å; E9-N13 PolarHBondContact O-N 3.37Å; E9-N13 PolarHBondContact O-ND2 2.9Å; E9-L132 HydrophobicContact CG-CD1 3.61Å; E9-L132 HydrophobicContact CG-CD2 4.42Å
10E92.5Very high89.5Confident124 Ų12481.4 Ų81.458%0.57939%0.388SS*.Hα-helixtrans-59.8-48.2174.5-175.3-178.4-168.300111.1L6 I8 V12 N13 E14L6-E10 WeakPolarHBondContact O-CB 3.4Å; L6-E10 PolarHBondContact O-N 2.92Å; I8-E10 VanDerWaalsContact C-N 3.35Å; I8-E10 PolarHBondContact O-N 3.35Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.87Å; E10-N13 PolarHBondContact O-N 3.49Å; E10-E14 HydrophobicContact CG-CG 4.03Å; E10-E14 WeakPolarHBondContact O-CB 3.22Å; E10-E14 PolarHBondContact O-N 3.34Å
11H92.3Very high89.9Confident75 Ų7584 Ų8435%0.34740%0.398SS..Iπ-helixtrans-60.7-41.8178.1-174.665.8000112.4K7 I8 T15 L16K7-H11 WeakPolarHBondContact O-CB 3.46Å; K7-H11 PolarHBondContact O-N 2.94Å; I8-H11 PolarHBondContact O-N 3.43Å; H11-T15 WeakPolarHBondContact O-CA 3.38Å; H11-T15 VanDerWaalsContact O-CB 3.22Å; H11-T15 WeakPolarHBondContact O-CB 3.31Å; H11-T15 PolarHBondContact O-N 3.43Å; H11-T15 VanDerWaalsContact O-N 3.13Å; H11-L16 PolarHBondContact O-N 3.39Å
12V93.7Very high91.8Very high1 Ų181.5 Ų81.51%0.00638%0.382CS..Iπ-helixtrans-63.3-47.5176.8170.50000110.9I8 E9 E10 L16 K17 I125 F128 L129I8-V12 HydrophobicContact CG2-CG2 4.4Å; I8-V12 VanDerWaalsContact O-CG2 3.31Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.14Å; E9-V12 PolarHBondContact O-N 3.26Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.87Å; V12-L16 HydrophobicContact CG2-CD1 4.31Å; V12-L16 PolarHBondContact O-N 3.41Å; V12-K17 WeakPolarHBondContact O-CG 3.38Å; V12-K17 PolarHBondContact O-N 3.41Å; V12-I125 HydrophobicContact CG1-CG2 4.13Å; V12-F128 HydrophobicContact CG2-CB 3.52Å; V12-F128 HydrophobicContact CG2-CG 4.08Å; V12-L129 HydrophobicContact CG1-CD2 4.28Å
13N92.2Very high92.7Very high69 Ų6979 Ų7937%0.36937%0.369SS..Iπ-helixtrans-75.4-51.6-174.7-73.2-30.3000112.8E9 E10 K17E9-N13 WeakPolarHBondContact O-CB 3.32Å; E9-N13 PolarHBondContact O-N 3.37Å; E9-N13 PolarHBondContact O-ND2 2.9Å; E10-N13 PolarHBondContact O-N 3.49Å; N13-K17 WeakPolarHBondContact OD1-CE 3.49Å; N13-K17 PolarHBondContact OD1-NZ 3.43Å
14E93.3Very high93.4Very high128 Ų12874.9 Ų74.960%0.59835%0.352SS*.Iπ-helixtrans-83.1-30.2-170.7-59.4-50.9128.700112.3E10 T18E10-E14 HydrophobicContact CG-CG 4.03Å; E10-E14 WeakPolarHBondContact O-CB 3.22Å; E10-E14 PolarHBondContact O-N 3.34Å; E14-T18 VanDerWaalsContact O-CB 3.23Å; E14-T18 WeakPolarHBondContact O-CB 3.43Å; E14-T18 PolarHBondContact O-OG1 3.02Å
15T95.1Very high94.2Very high53 Ų5369.3 Ų69.333%0.32534%0.336SS..Iπ-helixtrans-103.6-63.2-178.2-51.80000112.1H11 T18 N19H11-T15 WeakPolarHBondContact O-CA 3.38Å; H11-T15 VanDerWaalsContact O-CB 3.22Å; H11-T15 WeakPolarHBondContact O-CB 3.31Å; H11-T15 PolarHBondContact O-N 3.43Å; H11-T15 VanDerWaalsContact O-N 3.13Å; T15-T18 PolarHBondContact O-N 3.32Å; T15-N19 VanDerWaalsContact O-CB 3.26Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 3.33Å; T15-N19 PolarHBondContact O-ND2 3.43Å
16L96.9Very high94.8Very high8 Ų870 Ų704%0.04234%0.344CS..Iπ-helixtrans-68.6-45.6-168.9-63.8179000112.5H11 V12 N19 L20 I121 Q124 I125 F128H11-L16 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG2-CD1 4.31Å; V12-L16 PolarHBondContact O-N 3.41Å; L16-N19 PolarHBondContact O-N 3.17Å; L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.34Å; L16-I121 HydrophobicContact CB-CG2 4.36Å; L16-I121 WeakPolarHBondContact O-CG2 3.38Å; L16-Q124 HydrophobicContact CD1-CB 4.39Å; L16-I125 HydrophobicContact CB-CD1 3.95Å; L16-I125 HydrophobicContact CB-CG1 3.52Å; L16-I125 HydrophobicContact CD1-CG1 3.95Å; L16-I125 HydrophobicContact CG-CG1 4.36Å; L16-F128 HydrophobicContact CD1-CD2 3.6Å; L16-F128 HydrophobicContact CD1-CE2 3.88Å
17K97Very high95.3Very high103 Ų10366.3 Ų66.345%0.44833%0.325SS..Iπ-helixtrans-64.5-41.7176.9-73-178.9-175.51690111.8V12 N13 L20 K21 I125V12-K17 WeakPolarHBondContact O-CG 3.38Å; V12-K17 PolarHBondContact O-N 3.41Å; N13-K17 WeakPolarHBondContact OD1-CE 3.49Å; N13-K17 PolarHBondContact OD1-NZ 3.43Å; K17-L20 PolarHBondContact O-N 2.96Å; K17-K21 PolarHBondContact O-N 2.98Å; K17-I125 HydrophobicContact CG-CD1 4.18Å
18T97.3Very high95.8Very high53 Ų5364.4 Ų64.433%0.32532%0.322SS..Hα-helixtrans-60-46.4174.6-58.60000111.8E14 T15 L20 K21 K22E14-T18 VanDerWaalsContact O-CB 3.23Å; E14-T18 WeakPolarHBondContact O-CB 3.43Å; E14-T18 PolarHBondContact O-OG1 3.02Å; T15-T18 PolarHBondContact O-N 3.32Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.25Å; T18-K21 PolarHBondContact O-N 3.02Å; T18-K22 HydrophobicContact CG2-CD 4.4Å; T18-K22 WeakPolarHBondContact O-CG 3.46Å; T18-K22 PolarHBondContact O-N 3.13Å
19N97.5Very high96.2Very high59 Ų5968.5 Ų68.532%0.31634%0.344SS..Hα-helixtrans-66-37.7178.1-74.6-18000112.2T15 L16 T23 I121T15-N19 VanDerWaalsContact O-CB 3.26Å; T15-N19 WeakPolarHBondContact O-CB 3.37Å; T15-N19 PolarHBondContact O-N 3.33Å; T15-N19 PolarHBondContact O-ND2 3.43Å; L16-N19 PolarHBondContact O-N 3.17Å; N19-T23 WeakPolarHBondContact O-CB 3.48Å; N19-T23 PolarHBondContact O-N 2.95Å; N19-T23 PolarHBondContact O-OG1 3.35Å; N19-I121 HydrophobicContact CB-CD1 4.23Å
20L98.4Very high96.6Very high25 Ų2565.8 Ų65.813%0.13133%0.331CS..Hα-helixtrans-60.4-49.6173.8178.857.5000110.4L16 K17 T18 K22 T23 L24 A118 I121 K122 I125L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.34Å; K17-L20 PolarHBondContact O-N 2.96Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.25Å; L20-K22 PolarHBondContact O-N 2.75Å; L20-T23 PolarHBondContact O-N 3.43Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.11Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.03Å; L20-A118 HydrophobicContact CD1-CB 3.87Å; L20-A118 WeakPolarHBondContact CD1-O 3.23Å; L20-I121 HydrophobicContact CB-CB 4.49Å; L20-I121 HydrophobicContact CB-CG2 3.79Å; L20-I121 HydrophobicContact CD1-CB 4.36Å; L20-K122 HydrophobicContact CD1-CD 4.48Å; L20-K122 HydrophobicContact CD1-CG 3.88Å; L20-K122 HydrophobicContact CD2-CG 3.67Å; L20-K122 HydrophobicContact CG-CG 4.46Å; L20-I125 HydrophobicContact CB-CD1 4.45Å; L20-I125 HydrophobicContact CD2-CD1 4.03Å
21K98.3Very high96.9Very high136 Ų13665 Ų6559%0.59132%0.324SS*.Hα-helixtrans-56.5-53177.8-176.2177.1178.3-178.20111.2K17 T18 T23 L24 D25K17-K21 PolarHBondContact O-N 2.98Å; T18-K21 PolarHBondContact O-N 3.02Å; K21-T23 PolarHBondContact O-N 3.34Å; K21-L24 PolarHBondContact O-N 2.83Å; K21-L24 VanDerWaalsContact O-N 3.07Å; K21-D25 PolarHBondContact O-N 3Å
22K98.1Very high97.2Very high133 Ų13363 Ų6358%0.57832%0.323SS*.Hα-helixtrans-56.8-37.7177.6-70.7177.6179.81780113.1T18 L20 A26T18-K22 HydrophobicContact CG2-CD 4.4Å; T18-K22 WeakPolarHBondContact O-CG 3.46Å; T18-K22 PolarHBondContact O-N 3.13Å; L20-K22 PolarHBondContact O-N 2.75Å; K22-A26 VanDerWaalsContact O-CB 3.28Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.47Å
23T98.3Very high97.4Very high7 Ų766.9 Ų66.94%0.04334%0.342CS..Hα-helixtrans-69.6-39.8178.7-57.80000111.5N19 L20 K21 G27 Y114 R117 A118N19-T23 WeakPolarHBondContact O-CB 3.48Å; N19-T23 PolarHBondContact O-N 2.95Å; N19-T23 PolarHBondContact O-OG1 3.35Å; L20-T23 PolarHBondContact O-N 3.43Å; K21-T23 PolarHBondContact O-N 3.34Å; T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.09Å; T23-Y114 HydrophobicContact CG2-CD1 4.07Å; T23-Y114 WeakPolarHBondContact CG2-O 3.4Å; T23-R117 HydrophobicContact CG2-CB 3.82Å; T23-R117 HydrophobicContact CG2-CG 3.77Å; T23-A118 HydrophobicContact CG2-CB 4.01Å
24L98.5Very high97.7Very high65 Ų6564.2 Ų64.234%0.3433%0.327SS..Hα-helixtrans-67.8-50176.2-68.4171.2000110.7L20 K21 A26 G27 D28 A118L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.11Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.03Å; K21-L24 PolarHBondContact O-N 2.83Å; K21-L24 VanDerWaalsContact O-N 3.07Å; L24-A26 VanDerWaalsContact C-N 3.26Å; L24-A26 PolarHBondContact O-N 3.35Å; L24-G27 CarbonylContact O-C 3.59Å; L24-G27 WeakPolarHBondContact O-CA 3.5Å; L24-G27 PolarHBondContact O-N 3.01Å; L24-D28 PolarHBondContact O-N 3.38Å; L24-A118 HydrophobicContact CD2-CB 3.77Å; L24-A118 HydrophobicContact CG-CB 4.35Å
25D98.4Very high97.9Very high79 Ų7961.1 Ų61.142%0.42232%0.319SS..Hα-helixtrans-56.4-42.1178.6-61.7-13.1000111K21 G27 D28 L29K21-D25 PolarHBondContact O-N 3Å; D25-G27 PolarHBondContact O-N 3.37Å; D25-D28 PolarHBondContact O-N 3.44Å; D25-L29 WeakPolarHBondContact O-CG 3.26Å; D25-L29 PolarHBondContact O-N 2.88Å; D25-L29 VanDerWaalsContact O-N 3.11Å
26A98.2Very high98Very high25 Ų2564.7 Ų64.721%0.20733%0.333CS..Hα-helixtrans-67.3-33.6175.800000113.3K22 L24 V30 Y114K22-A26 VanDerWaalsContact O-CB 3.28Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.47Å; L24-A26 VanDerWaalsContact C-N 3.26Å; L24-A26 PolarHBondContact O-N 3.35Å; A26-V30 WeakPolarHBondContact O-CG2 3.37Å; A26-V30 PolarHBondContact O-N 3.49Å; A26-Y114 HydrophobicContact CB-CD1 4.1Å; A26-Y114 HydrophobicContact CB-CE1 3.59Å; A26-Y114 HydrophobicContact CB-CE2 4.29Å
27G98.4Very high98Very high5 Ų567.6 Ų67.65%0.05234%0.343CS..Hα-helixtrans-67.4-41.9172.600000112.2T23 L24 D25 L29 V30 Y31T23-G27 PolarHBondContact O-N 2.92Å; T23-G27 VanDerWaalsContact O-N 3.09Å; L24-G27 CarbonylContact O-C 3.59Å; L24-G27 WeakPolarHBondContact O-CA 3.5Å; L24-G27 PolarHBondContact O-N 3.01Å; D25-G27 PolarHBondContact O-N 3.37Å; G27-L29 VanDerWaalsContact C-N 3.33Å; G27-L29 PolarHBondContact O-N 2.99Å; G27-V30 WeakPolarHBondContact O-CB 3.43Å; G27-V30 PolarHBondContact O-N 3.5Å; G27-V30 VanDerWaalsContact O-N 3.08Å; G27-Y31 VanDerWaalsContact O-CD2 3.31Å; G27-Y31 WeakPolarHBondContact O-CD2 3.2Å; G27-Y31 PolarHBondContact O-N 3.34Å
28D98.4Very high98.1Very high100 Ų10066.4 Ų66.454%0.53534%0.341SS..Hα-helixtrans-64.2-38.1179.3-68.9-15.9000111.7L24 D25 V30 Y31 G32L24-D28 PolarHBondContact O-N 3.38Å; D25-D28 PolarHBondContact O-N 3.44Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-V30 PolarHBondContact O-N 3.04Å; D28-Y31 PolarHBondContact O-N 3.26Å; D28-G32 PolarHBondContact O-N 3.4Å
29L98.4Very high98.1Very high128 Ų12870.3 Ų70.367%0.6736%0.356SS*.Hα-helixtrans-59.3-40.4171.6-70.1173.5000112.2D25 G27 G32 Q33D25-L29 WeakPolarHBondContact O-CG 3.26Å; D25-L29 PolarHBondContact O-N 2.88Å; D25-L29 VanDerWaalsContact O-N 3.11Å; G27-L29 VanDerWaalsContact C-N 3.33Å; G27-L29 PolarHBondContact O-N 2.99Å; L29-G32 PolarHBondContact O-N 2.93Å; L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 2.99Å; L29-Q33 VanDerWaalsContact O-N 3.11Å
30V98.5Very high97.9Very high5 Ų571 Ų713%0.0336%0.36CS..Hα-helixtrans-67.8-39.3176.7176.50000111.1A26 G27 D28 G32 Q33 I34 L107 R110 A111 Y114A26-V30 WeakPolarHBondContact O-CG2 3.37Å; A26-V30 PolarHBondContact O-N 3.49Å; G27-V30 WeakPolarHBondContact O-CB 3.43Å; G27-V30 PolarHBondContact O-N 3.5Å; G27-V30 VanDerWaalsContact O-N 3.08Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-V30 PolarHBondContact O-N 3.04Å; V30-G32 VanDerWaalsContact C-N 3.34Å; V30-Q33 WeakPolarHBondContact O-CB 3.33Å; V30-Q33 PolarHBondContact O-N 3.32Å; V30-I34 HydrophobicContact CG1-CD1 4.17Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 3.45Å; V30-L107 HydrophobicContact CG1-CB 4.14Å; V30-L107 HydrophobicContact CG1-CD2 4.11Å; V30-L107 WeakPolarHBondContact CG1-O 3.37Å; V30-R110 HydrophobicContact CG1-CB 4.26Å; V30-A111 HydrophobicContact CG1-CB 3.95Å; V30-Y114 HydrophobicContact CG2-CD2 4.11Å; V30-Y114 HydrophobicContact CG2-CE2 3.83Å
31Y98.2Very high97.8Very high107 Ų10771.9 Ų71.942%0.4236%0.362SS..Hα-helixtrans-64.1-38.8174.2-78.4-62.4000112.5G27 D28 Q33 I34 S35 A111G27-Y31 VanDerWaalsContact O-CD2 3.31Å; G27-Y31 WeakPolarHBondContact O-CD2 3.2Å; G27-Y31 PolarHBondContact O-N 3.34Å; D28-Y31 PolarHBondContact O-N 3.26Å; Y31-Q33 VanDerWaalsContact C-N 3.33Å; Y31-Q33 PolarHBondContact O-N 2.72Å; Y31-I34 HydrophobicContact CD1-CD1 4.18Å; Y31-I34 PolarHBondContact O-N 2.91Å; Y31-S35 PolarHBondContact O-N 3.32Å; Y31-S35 PolarHBondContact O-OG 2.94Å; Y31-A111 HydrophobicContact CE1-CB 4.03Å; Y31-A111 HydrophobicContact CE2-CB 4.27Å
32G98.4Very high97.7Very high33 Ų3369.4 Ų69.434%0.3436%0.356SS..Hα-helixtrans-56.5-46.8171.700000112.1D28 L29 V30 I34 S35 E36D28-G32 PolarHBondContact O-N 3.4Å; L29-G32 PolarHBondContact O-N 2.93Å; V30-G32 VanDerWaalsContact C-N 3.34Å; G32-I34 PolarHBondContact O-N 3.37Å; G32-S35 WeakPolarHBondContact O-CB 3.36Å; G32-S35 PolarHBondContact O-N 2.85Å; G32-E36 WeakPolarHBondContact O-CG 3.42Å; G32-E36 PolarHBondContact O-N 3.45Å
33Q97.7Very high97.4Very high84 Ų8467.7 Ų67.739%0.39335%0.352SS..Hα-helixtrans-61.3-41.8175.7-68.6179.5-31.700112.5L29 V30 Y31 S35 E36 Y37 L107L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 2.99Å; L29-Q33 VanDerWaalsContact O-N 3.11Å; V30-Q33 WeakPolarHBondContact O-CB 3.33Å; V30-Q33 PolarHBondContact O-N 3.32Å; Y31-Q33 VanDerWaalsContact C-N 3.33Å; Y31-Q33 PolarHBondContact O-N 2.72Å; Q33-S35 VanDerWaalsContact C-N 3.32Å; Q33-S35 PolarHBondContact O-N 2.96Å; Q33-E36 PolarHBondContact O-N 3.18Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.41Å; Q33-Y37 PolarHBondContact O-N 2.85Å; Q33-Y37 VanDerWaalsContact O-N 3.08Å; Q33-L107 HydrophobicContact CB-CD1 4.01Å; Q33-L107 HydrophobicContact CB-CD2 4.4Å
34I98.4Very high97.2Very high13 Ų1367.5 Ų67.57%0.06735%0.351CS..Hα-helixtrans-60.9-44176.3-67.4164.3000110.4V30 Y31 G32 Y37 L38 L107 A111V30-I34 HydrophobicContact CG1-CD1 4.17Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 3.45Å; Y31-I34 HydrophobicContact CD1-CD1 4.18Å; Y31-I34 PolarHBondContact O-N 2.91Å; G32-I34 PolarHBondContact O-N 3.37Å; I34-Y37 PolarHBondContact O-N 3.3Å; I34-L38 HydrophobicContact CG2-CD1 4Å; I34-L38 HydrophobicContact CG2-CG 4.39Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3Å; I34-L107 HydrophobicContact CD1-CB 3.95Å; I34-L107 HydrophobicContact CG1-CB 3.52Å; I34-L107 HydrophobicContact CG1-CD1 4.07Å; I34-L107 HydrophobicContact CG1-CG 4.42Å; I34-A111 HydrophobicContact CD1-CB 4.25Å
35S98.3Very high97Very high62 Ų6268.1 Ų68.143%0.43435%0.352SS..Hα-helixtrans-59.8-45.6176.9-73.50000112.3Y31 G32 Q33 Y37 L38 E39Y31-S35 PolarHBondContact O-N 3.32Å; Y31-S35 PolarHBondContact O-OG 2.94Å; G32-S35 WeakPolarHBondContact O-CB 3.36Å; G32-S35 PolarHBondContact O-N 2.85Å; Q33-S35 VanDerWaalsContact C-N 3.32Å; Q33-S35 PolarHBondContact O-N 2.96Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.99Å; S35-L38 PolarHBondContact O-N 3.21Å; S35-L38 VanDerWaalsContact O-N 3.16Å; S35-E39 WeakPolarHBondContact O-CG 3.43Å; S35-E39 PolarHBondContact O-N 3.02Å
36E96.9Very high96.6Very high129 Ų12971.2 Ų71.260%0.60336%0.362SS*.Hα-helixtrans-58.4-43.1175.8-70.5172.1-171.300112G32 Q33 L38 E39 L40G32-E36 WeakPolarHBondContact O-CG 3.42Å; G32-E36 PolarHBondContact O-N 3.45Å; Q33-E36 PolarHBondContact O-N 3.18Å; E36-L38 PolarHBondContact O-N 3.34Å; E36-E39 PolarHBondContact O-N 3.3Å; E36-L40 WeakPolarHBondContact O-CB 3.28Å; E36-L40 PolarHBondContact O-N 3.42Å
37Y97.2Very high96Very high68 Ų6871.8 Ų71.827%0.26736%0.361SS..Hα-helixtrans-66.1-36.3176.3-84.2-67.1000113.1Q33 I34 S35 L40 K41 I100 R103 I104 L107Q33-Y37 WeakPolarHBondContact O-CD2 3.41Å; Q33-Y37 PolarHBondContact O-N 2.85Å; Q33-Y37 VanDerWaalsContact O-N 3.08Å; I34-Y37 PolarHBondContact O-N 3.3Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.99Å; Y37-L40 PolarHBondContact O-N 3.42Å; Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 3.34Å; Y37-I100 HydrophobicContact CD1-CB 4.45Å; Y37-I100 HydrophobicContact CD1-CG1 4.16Å; Y37-I100 HydrophobicContact CD1-CG2 3.98Å; Y37-I100 HydrophobicContact CG-CG2 4.49Å; Y37-R103 HydrophobicContact CE1-CB 4.08Å; Y37-R103 HydrophobicContact CE1-CG 4.25Å; Y37-R103 HydrophobicContact CE2-CB 4.22Å; Y37-I104 HydrophobicContact CG-CG1 4.3Å; Y37-L107 HydrophobicContact CD2-CD1 3.56Å; Y37-L107 HydrophobicContact CE2-CD1 3.69Å
38L97.9Very high95.3Very high78 Ų7876 Ų7641%0.40838%0.377SS..Hα-helixtrans-67.7-38.8175.6-71.5170.8000111.7I34 S35 E36 K41 N42 I104I34-L38 HydrophobicContact CG2-CD1 4Å; I34-L38 HydrophobicContact CG2-CG 4.39Å; I34-L38 WeakPolarHBondContact O-CG 3.38Å; I34-L38 PolarHBondContact O-N 3Å; S35-L38 PolarHBondContact O-N 3.21Å; S35-L38 VanDerWaalsContact O-N 3.16Å; E36-L38 PolarHBondContact O-N 3.34Å; L38-K41 PolarHBondContact O-N 3.01Å; L38-N42 VanDerWaalsContact O-CG 3.31Å; L38-N42 PolarHBondContact O-N 3.36Å; L38-N42 PolarHBondContact O-ND2 3Å; L38-I104 HydrophobicContact CD2-CD1 3.92Å; L38-I104 HydrophobicContact CG-CD1 4.29Å
39E97.1Very high94.5Very high136 Ų13678 Ų7864%0.63639%0.388SS*.Hα-helixtrans-62.9-45.3172.9-72176.8-167.700111.4S35 E36 K41 N42 L43S35-E39 WeakPolarHBondContact O-CG 3.43Å; S35-E39 PolarHBondContact O-N 3.02Å; E36-E39 PolarHBondContact O-N 3.3Å; E39-K41 PolarHBondContact O-N 3.11Å; E39-N42 PolarHBondContact O-N 3.5Å; E39-L43 PolarHBondContact O-N 3.39Å
40L94.5Very high93.7Very high74 Ų7475 Ų7539%0.38737%0.372SS..Hα-helixtrans-61.7-43.4176-178.961000111.9E36 Y37 N42 L43 I44 I100E36-L40 WeakPolarHBondContact O-CB 3.28Å; E36-L40 PolarHBondContact O-N 3.42Å; Y37-L40 PolarHBondContact O-N 3.42Å; L40-N42 PolarHBondContact O-N 3.25Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.49Å; L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 HydrophobicContact CD1-CG1 4.38Å; L40-I44 HydrophobicContact CG-CD1 3.99Å; L40-I44 WeakPolarHBondContact O-CG1 3.31Å; L40-I44 PolarHBondContact O-N 3.14Å; L40-I100 HydrophobicContact CD2-CD1 3.82Å; L40-I100 HydrophobicContact CD2-CG1 4.32Å; L40-I100 HydrophobicContact CG-CD1 3.86Å
41K96Very high92.4Very high43 Ų4380 Ų8019%0.18740%0.399CS..Hα-helixtrans-56.1-51.9175.2-179.8168.7-174.3166.30111.2Y37 L38 E39 L43 I44 E45 L97 I100 D101Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 3.34Å; L38-K41 PolarHBondContact O-N 3.01Å; E39-K41 PolarHBondContact O-N 3.11Å; K41-L43 VanDerWaalsContact C-N 3.27Å; K41-L43 PolarHBondContact O-N 3.07Å; K41-I44 PolarHBondContact O-N 3.06Å; K41-E45 WeakPolarHBondContact CE-OE1 3.36Å; K41-E45 WeakPolarHBondContact O-CG 3.44Å; K41-E45 PolarHBondContact O-N 2.97Å; K41-L97 HydrophobicContact CB-CD2 4.45Å; K41-L97 HydrophobicContact CG-CD2 3.7Å; K41-I100 HydrophobicContact CB-CG2 4.18Å; K41-D101 VanDerWaalsContact NZ-CG 3.34Å; K41-D101 IonicContact NZ-OD1 3.67Å; K41-D101 PolarHBondContact NZ-OD1 2.96Å; K41-D101 IonicContact NZ-OD2 2.76Å; K41-D101 PolarHBondContact NZ-OD2 3.25Å; K41-D101 VanDerWaalsContact NZ-OD2 3.17Å
42N95.5Very high91.1Very high84 Ų8475.2 Ų75.245%0.44938%0.38SS..Hα-helixtrans-60.1-37.1178.3-74.7-39.8000112.2L38 E39 L40 K46L38-N42 VanDerWaalsContact O-CG 3.31Å; L38-N42 PolarHBondContact O-N 3.36Å; L38-N42 PolarHBondContact O-ND2 3Å; E39-N42 PolarHBondContact O-N 3.5Å; L40-N42 PolarHBondContact O-N 3.25Å; N42-K46 VanDerWaalsContact O-CG 3.27Å; N42-K46 WeakPolarHBondContact O-CG 3.36Å; N42-K46 PolarHBondContact O-N 2.86Å; N42-K46 VanDerWaalsContact O-N 3.09Å
43L92.9Very high89.3Confident96 Ų9679 Ų7950%0.50340%0.399SS..Hα-helixtrans-66-46.7177-177.265.8000111.2E39 L40 K41 K46 M47E39-L43 PolarHBondContact O-N 3.39Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.49Å; K41-L43 VanDerWaalsContact C-N 3.27Å; K41-L43 PolarHBondContact O-N 3.07Å; L43-K46 PolarHBondContact O-N 3.21Å; L43-M47 HydrophobicContact CD2-CE 4.17Å; L43-M47 HydrophobicContact CG-CE 3.75Å; L43-M47 HydrophobicContact CG-SD 4.48Å; L43-M47 WeakPolarHBondContact O-CG 3.22Å; L43-M47 PolarHBondContact O-N 3.25Å
44I93.6Very high87.6Confident3 Ų382 Ų822%0.01541%0.413CS..Hα-helixtrans-63.2-43.4178.3-70.7167.2000111.2L40 K41 K46 M47 K48 I79 H93 A96 L97 I100L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 HydrophobicContact CD1-CG1 4.38Å; L40-I44 HydrophobicContact CG-CD1 3.99Å; L40-I44 WeakPolarHBondContact O-CG1 3.31Å; L40-I44 PolarHBondContact O-N 3.14Å; K41-I44 PolarHBondContact O-N 3.06Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 2.93Å; I44-M47 HydrophobicContact CB-CE 4.48Å; I44-M47 HydrophobicContact CG1-CE 3.93Å; I44-M47 PolarHBondContact O-N 3.09Å; I44-M47 VanDerWaalsContact O-N 3.16Å; I44-K48 PolarHBondContact O-N 3.32Å; I44-I79 HydrophobicContact CD1-CD1 3.7Å; I44-I79 HydrophobicContact CG1-CD1 3.99Å; I44-H93 HydrophobicContact CG2-CB 4.01Å; I44-A96 HydrophobicContact CD1-CB 4.24Å; I44-L97 HydrophobicContact CB-CD2 4.25Å; I44-L97 HydrophobicContact CG2-CD1 4.22Å; I44-L97 HydrophobicContact CG2-CD2 3.94Å; I44-L97 HydrophobicContact CG2-CG 3.86Å; I44-I100 HydrophobicContact CD1-CD1 3.49Å; I44-I100 VanDerWaalsContact CD1-CD1 3.49Å
45E93.7Very high85.9Confident79 Ų7988.2 Ų88.237%0.36945%0.447SS..Hα-helixtrans-59.7-44.6176.2-73.9175.7172.200111.3K41 M47 K48 L97K41-E45 WeakPolarHBondContact CE-OE1 3.36Å; K41-E45 WeakPolarHBondContact O-CG 3.44Å; K41-E45 PolarHBondContact O-N 2.97Å; E45-M47 VanDerWaalsContact C-N 3.33Å; E45-M47 PolarHBondContact O-N 3.5Å; E45-K48 WeakPolarHBondContact O-CB 3.41Å; E45-K48 PolarHBondContact O-N 3.26Å; E45-L97 HydrophobicContact CG-CD1 4.28Å; E45-L97 HydrophobicContact CG-CD2 4.03Å
46K89.8Confident84.7Confident143 Ų14388.7 Ų88.762%0.62244%0.444SS*.Hα-helixtrans-64.3-35.2174.6-72.3172.3-176.8177.70113.1N42 L43 I44 K48 D49 I50N42-K46 VanDerWaalsContact O-CG 3.27Å; N42-K46 WeakPolarHBondContact O-CG 3.36Å; N42-K46 PolarHBondContact O-N 2.86Å; N42-K46 VanDerWaalsContact O-N 3.09Å; L43-K46 PolarHBondContact O-N 3.21Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 2.93Å; K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 3.49Å; K46-D49 PolarHBondContact O-N 3.06Å; K46-I50 WeakPolarHBondContact O-CG1 3.49Å
47M86.8Confident84.2Confident38 Ų3885.3 Ų85.319%0.18743%0.43CS..Hα-helixtrans-66.2-28.6178.8-76.9-173.2-70.200112.7L43 I44 E45 D49 I50L43-M47 HydrophobicContact CD2-CE 4.17Å; L43-M47 HydrophobicContact CG-CE 3.75Å; L43-M47 HydrophobicContact CG-SD 4.48Å; L43-M47 WeakPolarHBondContact O-CG 3.22Å; L43-M47 PolarHBondContact O-N 3.25Å; I44-M47 HydrophobicContact CB-CE 4.48Å; I44-M47 HydrophobicContact CG1-CE 3.93Å; I44-M47 PolarHBondContact O-N 3.09Å; I44-M47 VanDerWaalsContact O-N 3.16Å; E45-M47 VanDerWaalsContact C-N 3.33Å; E45-M47 PolarHBondContact O-N 3.5Å; M47-D49 PolarHBondContact O-N 2.84Å; M47-I50 HydrophobicContact CG-CD1 4.31Å; M47-I50 PolarHBondContact O-N 3.43Å
48K83.7Confident83.8Confident92 Ų9290.7 Ų90.740%0.446%0.455SS..Hα-helixtrans-61.9-30.1174.2-70.7-178.9170.7-174.40113.3I44 E45 K46 I50 H93I44-K48 PolarHBondContact O-N 3.32Å; E45-K48 WeakPolarHBondContact O-CB 3.41Å; E45-K48 PolarHBondContact O-N 3.26Å; K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 3.49Å; K48-I50 VanDerWaalsContact C-N 3.32Å; K48-H93 HydrophobicContact CD-CB 4.29Å; K48-H93 HydrophobicContact CG-CB 3.97Å
49D82.1Confident83.4Confident142 Ų14289.4 Ų89.476%0.75945%0.45SS*.THydrogen-bonded Turntrans-86.8-3.7-178.1-60.7-32.1000112.7K46 M47K46-D49 PolarHBondContact O-N 3.06Å; M47-D49 PolarHBondContact O-N 2.84Å
50I80.9Confident83.3Confident65 Ų6589.8 Ų89.833%0.33345%0.45SS..  trans-87.1113.7-179.4-58.3176.5000109.9K46 M47 K48 V52 L57K46-I50 WeakPolarHBondContact O-CG1 3.49Å; M47-I50 HydrophobicContact CG-CD1 4.31Å; M47-I50 PolarHBondContact O-N 3.43Å; K48-I50 VanDerWaalsContact C-N 3.32Å; I50-V52 VanDerWaalsContact C-N 3.33Å; I50-V52 HydrophobicContact CB-CG2 4.39Å; I50-V52 HydrophobicContact CG2-CG2 3.74Å; I50-V52 PolarHBondContact O-N 3.49Å; I50-L57 HydrophobicContact CD1-CD2 4.22Å
51D71.2Confident83.3Confident112 Ų11289.8 Ų89.860%0.59945%0.452SS*.  trans-77.380.8169.9-167.615.3000110.7P53D51-P53 VanDerWaalsContact C-CD 3.45Å; D51-P53 VanDerWaalsContact OD1-CD 3.32Å; D51-P53 WeakPolarHBondContact OD1-CD 3.46Å
52V70.5Confident83.2Confident5 Ų591.5 Ų91.53%0.0346%0.464CS..G310 helixtrans-63.2-40.3179-176.20000114.6I50 Q54 N55 N56 V76I50-V52 VanDerWaalsContact C-N 3.33Å; I50-V52 HydrophobicContact CB-CG2 4.39Å; I50-V52 HydrophobicContact CG2-CG2 3.74Å; I50-V52 PolarHBondContact O-N 3.49Å; V52-Q54 PolarHBondContact O-N 3.22Å; V52-N55 PolarHBondContact O-N 2.95Å; V52-N55 VanDerWaalsContact O-N 3.12Å; V52-N56 PolarHBondContact O-N 3.44Å; V52-N56 VanDerWaalsContact O-N 3.08Å; V52-V76 HydrophobicContact CG2-CB 4.18Å; V52-V76 HydrophobicContact CG2-CG1 3.53Å; V52-V76 HydrophobicContact CG2-CG2 3.7Å
53P61.2Low83.2Confident112 Ų11291.9 Ų91.973%0.72747%0.469SS*.G310 helixtrans-53.4-29.3-175-28.832.6000115.5D51D51-P53 VanDerWaalsContact C-CD 3.45Å; D51-P53 VanDerWaalsContact OD1-CD 3.32Å; D51-P53 WeakPolarHBondContact OD1-CD 3.46Å
54Q61.4Low83.2Confident149 Ų14988.9 Ų88.970%0.69646%0.462SS*.G310 helixtrans-78.3-29.4-177.1-72.7-89.4-4200113V52V52-Q54 PolarHBondContact O-N 3.22Å
55N61.8Low83.3Confident143 Ų14394.4 Ų94.477%0.76550%0.5SS*.THydrogen-bonded Turntrans-142.1-4.5-164.3-85.8-24.6000117.9V52V52-N55 PolarHBondContact O-N 2.95Å; V52-N55 VanDerWaalsContact O-N 3.12Å
56N74.8Confident83.3Confident71 Ų7196.8 Ų96.838%0.3852%0.516SS..  trans52.5124-171.1-59.9-37.2000113.2V52 K58 L72V52-N56 PolarHBondContact O-N 3.44Å; V52-N56 VanDerWaalsContact O-N 3.08Å; N56-K58 PolarHBondContact O-N 3.34Å; N56-L72 HydrophobicContact CB-CD1 3.51Å; N56-L72 HydrophobicContact CB-CD2 3.96Å; N56-L72 HydrophobicContact CB-CG 3.78Å
57L84.8Confident83.6Confident59 Ų5994.9 Ų94.931%0.30951%0.511SS..EExtended strand (participates in β ladder)trans-82.2111-174.9177.569.4000111.1I50 I73I50-L57 HydrophobicContact CD1-CD2 4.22Å; L57-I73 HydrophobicContact CB-CB 4.06Å; L57-I73 HydrophobicContact CD2-CD1 3.88Å; L57-I73 HydrophobicContact CG-CD1 4.29Å; L57-I73 PolarHBondContact N-O 3.11Å; L57-I73 PolarHBondContact O-N 3.12Å
58K88.9Confident84.1Confident181 Ų18199.1 Ų99.179%0.78753%0.526SS*.EExtended strand (participates in β ladder)trans-74.8129.2172.5-67.7179.8-175.9175.30110N56 L72N56-K58 PolarHBondContact O-N 3.34Å; K58-L72 HydrophobicContact CG-CD1 3.79Å
59T91.1Very high84.7Confident51 Ų5198.4 Ų98.431%0.31353%0.529SS..EExtended strand (participates in β ladder)trans-134.1164.5179.7-171.80000111.6V61 N70 G71 I73T59-V61 HydrophobicContact CG2-CG2 4.07Å; T59-N70 WeakPolarHBondContact O-CA 3.33Å; T59-G71 PolarHBondContact N-O 2.96Å; T59-G71 PolarHBondContact O-N 3.4Å; T59-I73 HydrophobicContact CG2-CD1 3.8Å; T59-I73 HydrophobicContact CG2-CG1 3.98Å
60K94.8Very high85.4Confident143 Ų14397.8 Ų97.862%0.62253%0.526SS*.EExtended strand (participates in β ladder)trans-116.3120.1167.5-76.5-173.8178.3-177.10108.8Y68 V69 N70K60-Y68 HydrophobicContact CB-CD1 4.32Å; K60-V69 CarbonylContact C-O 3.56Å; K60-V69 WeakPolarHBondContact CA-O 3.49Å; K60-N70 WeakPolarHBondContact CE-OD1 3.39Å
61V93.3Very high85.9Confident74 Ų7495.9 Ų95.945%0.44852%0.522SS..EExtended strand (participates in β ladder)trans-99.9128179.4-175.20000108.7T59 Y68 V69T59-V61 HydrophobicContact CG2-CG2 4.07Å; V61-Y68 CarbonylContact O-C 3.59Å; V61-Y68 VanDerWaalsContact O-CA 3.31Å; V61-Y68 WeakPolarHBondContact O-CA 3.49Å; V61-V69 PolarHBondContact N-O 3.21Å; V61-V69 PolarHBondContact O-N 2.88Å
62N94.7Very high86.8Confident79 Ų7993.7 Ų93.742%0.42251%0.51SS..EExtended strand (participates in β ladder)trans-75.2123.8172.2-173.9-12.1000109.1G64 I67 Y68N62-G64 PolarHBondContact OD1-N 2.97Å; N62-I67 WeakPolarHBondContact CA-O 3.31Å; N62-I67 PolarHBondContact OD1-O 3.38Å; N62-Y68 HydrophobicContact CB-CD1 4.03Å; N62-Y68 HydrophobicContact CB-CE1 3.76Å
63V94.9Very high87.7Confident92 Ų9296 Ų9656%0.55852%0.522SS*.EExtended strand (participates in β ladder)trans-106.36.5179.8-62.50000112.9I67 V69V63-I67 HydrophobicContact CG2-CB 3.96Å; V63-I67 HydrophobicContact CG2-CG2 3.74Å; V63-I67 WeakPolarHBondContact CG2-O 3.44Å; V63-I67 PolarHBondContact N-O 3.45Å; V63-V69 HydrophobicContact CG1-CB 4.34Å; V63-V69 HydrophobicContact CG1-CG2 3.85Å; V63-V69 HydrophobicContact CG2-CG2 4Å
64G94.2Very high88.9Confident34 Ų3498.7 Ų98.735%0.35152%0.519SS..EExtended strand (participates in β ladder)trans120.3155-179.700000113.1N62 N66 I67N62-G64 PolarHBondContact OD1-N 2.97Å; G64-N66 PolarHBondContact O-N 2.92Å; G64-N66 VanDerWaalsContact O-N 3.08Å; G64-I67 VanDerWaalsContact O-CB 3.22Å; G64-I67 WeakPolarHBondContact O-CB 3.45Å; G64-I67 WeakPolarHBondContact O-CG1 3.38Å; G64-I67 PolarHBondContact O-N 3.36Å
65S94.5Very high90.1Very high119 Ų11995.1 Ų95.183%0.83251%0.51SS*.THydrogen-bonded Turntrans48.337.3177.3-63.90000115.2I67S65-I67 PolarHBondContact O-N 2.97Å
66N93.4Very high91.4Very high129 Ų12989.4 Ų89.469%0.6948%0.481SS*.THydrogen-bonded Turntrans57.428.6-174.9-60.4-26.3000113.9G64 Y68G64-N66 PolarHBondContact O-N 2.92Å; G64-N66 VanDerWaalsContact O-N 3.08Å; N66-Y68 HydrophobicContact CB-CE2 4.29Å; N66-Y68 VanDerWaalsContact O-CD2 3.23Å; N66-Y68 WeakPolarHBondContact O-CD2 3.43Å; N66-Y68 VanDerWaalsContact O-CE2 3.29Å; N66-Y68 WeakPolarHBondContact O-CE2 3.49Å
67I97.2Very high92.1Very high103 Ų10390.2 Ų90.253%0.52848%0.482SS..EExtended strand (participates in β ladder)trans-93.3129.4171.9-58.1173000107.8N62 V63 G64 S65N62-I67 WeakPolarHBondContact CA-O 3.31Å; N62-I67 PolarHBondContact OD1-O 3.38Å; V63-I67 HydrophobicContact CG2-CB 3.96Å; V63-I67 HydrophobicContact CG2-CG2 3.74Å; V63-I67 WeakPolarHBondContact CG2-O 3.44Å; V63-I67 PolarHBondContact N-O 3.45Å; G64-I67 VanDerWaalsContact O-CB 3.22Å; G64-I67 WeakPolarHBondContact O-CB 3.45Å; G64-I67 WeakPolarHBondContact O-CG1 3.38Å; G64-I67 PolarHBondContact O-N 3.36Å; S65-I67 PolarHBondContact O-N 2.97Å
68Y97.1Very high92.4Very high127 Ų12791.2 Ų91.250%0.49849%0.492SS..EExtended strand (participates in β ladder)trans-120.6136.6-176.1-63.9-95.5000111.1K60 V61 N62 N66K60-Y68 HydrophobicContact CB-CD1 4.32Å; V61-Y68 CarbonylContact O-C 3.59Å; V61-Y68 VanDerWaalsContact O-CA 3.31Å; V61-Y68 WeakPolarHBondContact O-CA 3.49Å; N62-Y68 HydrophobicContact CB-CD1 4.03Å; N62-Y68 HydrophobicContact CB-CE1 3.76Å; N66-Y68 HydrophobicContact CB-CE2 4.29Å; N66-Y68 VanDerWaalsContact O-CD2 3.23Å; N66-Y68 WeakPolarHBondContact O-CD2 3.43Å; N66-Y68 VanDerWaalsContact O-CE2 3.29Å; N66-Y68 WeakPolarHBondContact O-CE2 3.49Å
69V96.7Very high92.6Very high77 Ų7784.2 Ų84.247%0.46746%0.463SS..EExtended strand (participates in β ladder)trans-114.4140.5175.2-179.70000109.2K60 V61 V63K60-V69 CarbonylContact C-O 3.56Å; K60-V69 WeakPolarHBondContact CA-O 3.49Å; V61-V69 PolarHBondContact N-O 3.21Å; V61-V69 PolarHBondContact O-N 2.88Å; V63-V69 HydrophobicContact CG1-CB 4.34Å; V63-V69 HydrophobicContact CG1-CG2 3.85Å; V63-V69 HydrophobicContact CG2-CG2 4Å
70N95.8Very high92.8Very high128 Ų12885 Ų8568%0.68447%0.474SS*.EExtended strand (participates in β ladder)trans-74.2127.8175.2-63.4-37.8000109.8T59 K60T59-N70 WeakPolarHBondContact O-CA 3.33Å; K60-N70 WeakPolarHBondContact CE-OD1 3.39Å
71G91.8Very high92.8Very high25 Ų2579.2 Ų79.226%0.25845%0.451SS..EExtended strand (participates in β ladder)trans-117.3154.2174.300000111.5T59T59-G71 PolarHBondContact N-O 2.96Å; T59-G71 PolarHBondContact O-N 3.4Å
72L90.5Very high92.8Very high66 Ų6679.8 Ų79.835%0.34645%0.452SS..EExtended strand (participates in β ladder)trans-118.8121.2170.8-167.267.7000108.5N56 K58 Y74N56-L72 HydrophobicContact CB-CD1 3.51Å; N56-L72 HydrophobicContact CB-CD2 3.96Å; N56-L72 HydrophobicContact CB-CG 3.78Å; K58-L72 HydrophobicContact CG-CD1 3.79Å; L72-Y74 HydrophobicContact CB-CE2 4.49Å; L72-Y74 HydrophobicContact CD2-CD1 4.33Å; L72-Y74 HydrophobicContact CD2-CE1 3.55Å; L72-Y74 HydrophobicContact CG-CE1 4.17Å
73I88.1Confident92.6Very high54 Ų5479.6 Ų79.628%0.27745%0.45SS..EExtended strand (participates in β ladder)trans-94.7116.2177.9-63.3165.9000107.6L57 T59 S75 V76L57-I73 HydrophobicContact CB-CB 4.06Å; L57-I73 HydrophobicContact CD2-CD1 3.88Å; L57-I73 HydrophobicContact CG-CD1 4.29Å; L57-I73 PolarHBondContact N-O 3.11Å; L57-I73 PolarHBondContact O-N 3.12Å; T59-I73 HydrophobicContact CG2-CD1 3.8Å; T59-I73 HydrophobicContact CG2-CG1 3.98Å; I73-S75 WeakPolarHBondContact CG2-O 3.44Å; I73-V76 HydrophobicContact CG2-CG1 4.16Å
74Y87.1Confident92.4Very high168 Ų16876.6 Ų76.666%0.65944%0.438SS*.SBendtrans-89.5-27.5-178.7-60.4-77.8000113L72L72-Y74 HydrophobicContact CB-CE2 4.49Å; L72-Y74 HydrophobicContact CD2-CD1 4.33Å; L72-Y74 HydrophobicContact CD2-CE1 3.55Å; L72-Y74 HydrophobicContact CG-CE1 4.17Å
75S87.5Confident92.4Very high75 Ų7583.3 Ų83.352%0.52446%0.464SS..  trans-145.3143.6172.4-172.20000109.1I73 E77I73-S75 WeakPolarHBondContact CG2-O 3.44Å; S75-E77 PolarHBondContact OG-N 2.85Å; S75-E77 PolarHBondContact OG-O 3.38Å
76V88.2Confident92.4Very high23 Ų2380.5 Ų80.514%0.13945%0.454CS..  trans-91.6-8171.2-77.90000112.3V52 I73 I79 H93V52-V76 HydrophobicContact CG2-CB 4.18Å; V52-V76 HydrophobicContact CG2-CG1 3.53Å; V52-V76 HydrophobicContact CG2-CG2 3.7Å; I73-V76 HydrophobicContact CG2-CG1 4.16Å; V76-I79 VanDerWaalsContact O-CG2 3.26Å; V76-I79 WeakPolarHBondContact O-CG2 3.49Å; V76-H93 PolarHBondContact O-CE1 3.08Å; V76-H93 PolarHBondContact O-NE2 3.44Å
77E88.9Confident92.5Very high87 Ų8781 Ų8141%0.40745%0.45SS..  trans-136.4139.9178.8-161.3166161.200111S75 S92 H93S75-E77 PolarHBondContact OG-N 2.85Å; S75-E77 PolarHBondContact OG-O 3.38Å; E77-S92 WeakPolarHBondContact OE1-CA 3.35Å; E77-S92 WeakPolarHBondContact OE1-CB 3.02Å; E77-H93 IonicContact OE2-CE1 2.65Å; E77-H93 IonicContact OE2-CG 2.71Å; E77-H93 IonicContact OE2-ND1 3.17Å; E77-H93 PolarHBondContact OE2-ND1 3.46Å
78P92.6Very high92.5Very high81 Ų8183.1 Ų83.153%0.52645%0.453SS..SBendcis-72.5165.2-3.132.9-36.2000113.4E90P78-E90 HydrophobicContact CB-CB 4.48Å
79I93.4Very high92.4Very high34 Ų3480.8 Ų80.817%0.17445%0.449CS..EExtended strand (participates in β ladder)trans-112.3150169.558.8166.7000110.7I44 V76 V81 E90 C91 A96I44-I79 HydrophobicContact CD1-CD1 3.7Å; I44-I79 HydrophobicContact CG1-CD1 3.99Å; V76-I79 VanDerWaalsContact O-CG2 3.26Å; V76-I79 WeakPolarHBondContact O-CG2 3.49Å; I79-V81 HydrophobicContact CD1-CG2 4.35Å; I79-V81 HydrophobicContact CG1-CG2 4.47Å; I79-E90 WeakPolarHBondContact O-CA 3.37Å; I79-C91 PolarHBondContact N-O 3.31Å; I79-C91 PolarHBondContact O-N 2.91Å; I79-A96 HydrophobicContact CD1-CB 3.55Å; I79-A96 HydrophobicContact CG1-CB 4.12Å
80A95.1Very high92.4Very high67 Ų6784.2 Ų84.255%0.55446%0.46SS*.EExtended strand (participates in β ladder)trans-92.8120.817500000110.6L89A80-L89 WeakPolarHBondContact CA-O 3.38Å
81V94Very high92.4Very high22 Ų2278.5 Ų78.513%0.13343%0.43CS..EExtended strand (participates in β ladder)trans-106.6126.9177.4179.40000109.5I79 I83 Y88 L89 A96 I99I79-V81 HydrophobicContact CD1-CG2 4.35Å; I79-V81 HydrophobicContact CG1-CG2 4.47Å; V81-I83 PolarHBondContact O-N 2.93Å; V81-Y88 CarbonylContact O-C 3.59Å; V81-Y88 WeakPolarHBondContact O-CA 3.49Å; V81-L89 PolarHBondContact N-O 2.87Å; V81-L89 PolarHBondContact O-N 3.25Å; V81-A96 HydrophobicContact CG2-CB 3.81Å; V81-I99 HydrophobicContact CG1-CG2 4.2Å
82D93.4Very high92.6Very high86 Ų8678.6 Ų78.646%0.4643%0.426SS..EExtended strand (participates in β ladder)trans-66.3118.3170.9-172-19.5000109.8G84 Y88D82-G84 WeakPolarHBondContact OD1-CA 3.48Å; D82-G84 PolarHBondContact OD1-N 2.99Å; D82-Y88 HydrophobicContact CB-CD1 4Å; D82-Y88 HydrophobicContact CB-CE1 3.69Å
83I91.4Very high92.8Very high75 Ų7575.7 Ų75.739%0.38541%0.411SS..EExtended strand (participates in β ladder)trans-103.2-3.2178.256.9166.3000112.8V81 F87 L89 R103V81-I83 PolarHBondContact O-N 2.93Å; I83-F87 HydrophobicContact CD1-CB 4.03Å; I83-F87 HydrophobicContact CG1-CB 3.84Å; I83-F87 VanDerWaalsContact CG1-O 3.24Å; I83-F87 WeakPolarHBondContact CG1-O 3.21Å; I83-F87 PolarHBondContact N-O 3.32Å; I83-L89 HydrophobicContact CD1-CB 4.4Å; I83-L89 HydrophobicContact CG2-CB 3.9Å; I83-R103 PolarHBondContact O-NH2 3.23Å
84G89.6Confident93.1Very high29 Ų2977 Ų7730%0.29942%0.421SS..EExtended strand (participates in β ladder)trans109.9166.3177.200000113.8D82 G86 F87D82-G84 WeakPolarHBondContact OD1-CA 3.48Å; D82-G84 PolarHBondContact OD1-N 2.99Å; G84-G86 PolarHBondContact O-N 2.95Å; G84-G86 VanDerWaalsContact O-N 3.12Å; G84-F87 WeakPolarHBondContact O-CB 3.36Å; G84-F87 PolarHBondContact O-N 2.8Å
85L93.7Very high93.5Very high174 Ų17474 Ų7491%0.91141%0.413SS*.THydrogen-bonded Turntrans55.927177.4-57.2174.3000114.2F87L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 HydrophobicContact CB-CD2 3.99Å; L85-F87 HydrophobicContact CB-CE2 4.27Å; L85-F87 WeakPolarHBondContact O-CD2 3.44Å
86G94.8Very high93.9Very high60 Ų6070.4 Ų70.462%0.61939%0.388SS*.THydrogen-bonded Turntrans77.711.6-177.400000114.4G84G84-G86 PolarHBondContact O-N 2.95Å; G84-G86 VanDerWaalsContact O-N 3.12Å
87F96Very high94.3Very high139 Ų13970 Ų7061%0.6139%0.385SS*.EExtended strand (participates in β ladder)trans-97.4139.3175.2-66.5-83.7000111.4I83 G84 L85I83-F87 HydrophobicContact CD1-CB 4.03Å; I83-F87 HydrophobicContact CG1-CB 3.84Å; I83-F87 VanDerWaalsContact CG1-O 3.24Å; I83-F87 WeakPolarHBondContact CG1-O 3.21Å; I83-F87 PolarHBondContact N-O 3.32Å; G84-F87 WeakPolarHBondContact O-CB 3.36Å; G84-F87 PolarHBondContact O-N 2.8Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 HydrophobicContact CB-CD2 3.99Å; L85-F87 HydrophobicContact CB-CE2 4.27Å; L85-F87 WeakPolarHBondContact O-CD2 3.44Å
88Y96.7Very high94.7Very high149 Ų14970.6 Ų70.658%0.58439%0.391SS*.EExtended strand (participates in β ladder)trans-121.8135.1177.3-62.6-92.6000109V81 D82V81-Y88 CarbonylContact O-C 3.59Å; V81-Y88 WeakPolarHBondContact O-CA 3.49Å; D82-Y88 HydrophobicContact CB-CD1 4Å; D82-Y88 HydrophobicContact CB-CE1 3.69Å
89L95.7Very high94.9Very high78 Ų7868.7 Ų68.741%0.40838%0.376SS..EExtended strand (participates in β ladder)trans-103.3120.6173.8177.563.9000108.6A80 V81 I83 C91 I99A80-L89 WeakPolarHBondContact CA-O 3.38Å; V81-L89 PolarHBondContact N-O 2.87Å; V81-L89 PolarHBondContact O-N 3.25Å; I83-L89 HydrophobicContact CD1-CB 4.4Å; I83-L89 HydrophobicContact CG2-CB 3.9Å; L89-C91 HydrophobicContact CD2-CB 4.36Å; L89-C91 HydrophobicContact CG-CB 4.25Å; L89-I99 HydrophobicContact CD2-CD1 3.91Å
90E96.6Very high95Very high149 Ų14967.1 Ų67.170%0.69637%0.368SS*.EExtended strand (participates in β ladder)trans-76.7123.2164.7-70.6-174.1174.100109P78 I79P78-E90 HydrophobicContact CB-CB 4.48Å; I79-E90 WeakPolarHBondContact O-CA 3.37Å
91C95.3Very high95.1Very high8 Ų867 Ų675%0.05436%0.358CS..EExtended strand (participates in β ladder)trans-148.3166.7-179.467.80000112.2I79 L89 E95I79-C91 PolarHBondContact N-O 3.31Å; I79-C91 PolarHBondContact O-N 2.91Å; L89-C91 HydrophobicContact CD2-CB 4.36Å; L89-C91 HydrophobicContact CG-CB 4.25Å; C91-E95 HydrophobicContact CB-CB 3.75Å; C91-E95 WeakPolarHBondContact CB-OE2 3.45Å
92S95.4Very high95.2Very high27 Ų2769.3 Ų69.319%0.18938%0.375CS..  trans-64.1162.6171.762.80000111.7E77 V94 E95 A96E77-S92 WeakPolarHBondContact OE1-CA 3.35Å; E77-S92 WeakPolarHBondContact OE1-CB 3.02Å; S92-V94 PolarHBondContact O-N 3.45Å; S92-E95 WeakPolarHBondContact CB-OE2 3.47Å; S92-E95 PolarHBondContact N-OE2 3.01Å; S92-E95 PolarHBondContact O-N 3.47Å; S92-E95 WeakPolarHBondContact OG-CB 3.32Å; S92-E95 VanDerWaalsContact OG-CD 3.26Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.48Å; S92-E95 PolarHBondContact OG-N 2.65Å; S92-E95 VanDerWaalsContact OG-N 3.13Å; S92-E95 PolarHBondContact OG-OE2 3.2Å; S92-A96 WeakPolarHBondContact O-CB 3.43Å; S92-A96 PolarHBondContact O-N 3.28Å
93H94.4Very high95.4Very high5 Ų569.7 Ų69.72%0.02337%0.37CS..Hα-helixtrans-59.8-34.2172.1-65123.6000112.4I44 K48 V76 E77 L97I44-H93 HydrophobicContact CG2-CB 4.01Å; K48-H93 HydrophobicContact CD-CB 4.29Å; K48-H93 HydrophobicContact CG-CB 3.97Å; V76-H93 PolarHBondContact O-CE1 3.08Å; V76-H93 PolarHBondContact O-NE2 3.44Å; E77-H93 IonicContact OE2-CE1 2.65Å; E77-H93 IonicContact OE2-CG 2.71Å; E77-H93 IonicContact OE2-ND1 3.17Å; E77-H93 PolarHBondContact OE2-ND1 3.46Å; H93-L97 WeakPolarHBondContact O-CB 3.24Å; H93-L97 WeakPolarHBondContact O-CD1 3.34Å; H93-L97 WeakPolarHBondContact O-CG 3.42Å; H93-L97 PolarHBondContact O-N 3.1Å
94V95.4Very high95.7Very high82 Ų8267 Ų6750%0.49736%0.356SS..Hα-helixtrans-67-46.4178.5176.30000110.7S92 L97 N98S92-V94 PolarHBondContact O-N 3.45Å; V94-L97 PolarHBondContact O-N 2.99Å; V94-N98 PolarHBondContact O-N 3.36Å; V94-N98 VanDerWaalsContact O-N 3.08Å; V94-N98 PolarHBondContact O-ND2 3.07Å
95E96Very high96.1Very high103 Ų10369.4 Ų69.448%0.48137%0.369SS..Hα-helixtrans-64-42.1177.1-71.6162.8139.800111.8C91 S92 L97 N98 I99C91-E95 HydrophobicContact CB-CB 3.75Å; C91-E95 WeakPolarHBondContact CB-OE2 3.45Å; S92-E95 WeakPolarHBondContact CB-OE2 3.47Å; S92-E95 PolarHBondContact N-OE2 3.01Å; S92-E95 PolarHBondContact O-N 3.47Å; S92-E95 WeakPolarHBondContact OG-CB 3.32Å; S92-E95 VanDerWaalsContact OG-CD 3.26Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.48Å; S92-E95 PolarHBondContact OG-N 2.65Å; S92-E95 VanDerWaalsContact OG-N 3.13Å; S92-E95 PolarHBondContact OG-OE2 3.2Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.21Å; E95-N98 WeakPolarHBondContact O-CB 3.41Å; E95-N98 PolarHBondContact O-N 3.47Å; E95-I99 WeakPolarHBondContact O-CG1 3.22Å; E95-I99 PolarHBondContact O-N 3.28Å
96A96.1Very high96.3Very high0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-59.6-44.3176.200000112I44 I79 V81 S92 N98 I99 I100I44-A96 HydrophobicContact CD1-CB 4.24Å; I79-A96 HydrophobicContact CD1-CB 3.55Å; I79-A96 HydrophobicContact CG1-CB 4.12Å; V81-A96 HydrophobicContact CG2-CB 3.81Å; S92-A96 WeakPolarHBondContact O-CB 3.43Å; S92-A96 PolarHBondContact O-N 3.28Å; A96-N98 VanDerWaalsContact C-N 3.33Å; A96-N98 PolarHBondContact O-N 3.43Å; A96-I99 PolarHBondContact O-N 2.78Å; A96-I100 VanDerWaalsContact O-CG1 3.29Å; A96-I100 WeakPolarHBondContact O-CG1 3.23Å; A96-I100 PolarHBondContact O-N 2.88Å
97L96.5Very high96.5Very high15 Ų1563.3 Ų63.38%0.07932%0.322CS..Hα-helixtrans-62-40.3176.5-71.3166.8000111.9K41 I44 E45 H93 V94 E95 I99 I100 D101K41-L97 HydrophobicContact CB-CD2 4.45Å; K41-L97 HydrophobicContact CG-CD2 3.7Å; I44-L97 HydrophobicContact CB-CD2 4.25Å; I44-L97 HydrophobicContact CG2-CD1 4.22Å; I44-L97 HydrophobicContact CG2-CD2 3.94Å; I44-L97 HydrophobicContact CG2-CG 3.86Å; E45-L97 HydrophobicContact CG-CD1 4.28Å; E45-L97 HydrophobicContact CG-CD2 4.03Å; H93-L97 WeakPolarHBondContact O-CB 3.24Å; H93-L97 WeakPolarHBondContact O-CD1 3.34Å; H93-L97 WeakPolarHBondContact O-CG 3.42Å; H93-L97 PolarHBondContact O-N 3.1Å; V94-L97 PolarHBondContact O-N 2.99Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.21Å; L97-I99 VanDerWaalsContact C-N 3.35Å; L97-I99 PolarHBondContact O-N 3.46Å; L97-I100 PolarHBondContact O-N 3.02Å; L97-D101 WeakPolarHBondContact O-CB 3.44Å; L97-D101 PolarHBondContact O-N 3.47Å
98N96.7Very high96.6Very high100 Ų10060.4 Ų60.454%0.53531%0.313SS..Hα-helixtrans-63.2-40.5175.1-68.7-26.3000112V94 E95 A96 S102V94-N98 PolarHBondContact O-N 3.36Å; V94-N98 VanDerWaalsContact O-N 3.08Å; V94-N98 PolarHBondContact O-ND2 3.07Å; E95-N98 WeakPolarHBondContact O-CB 3.41Å; E95-N98 PolarHBondContact O-N 3.47Å; A96-N98 VanDerWaalsContact C-N 3.33Å; A96-N98 PolarHBondContact O-N 3.43Å; N98-S102 WeakPolarHBondContact O-CB 3.44Å; N98-S102 PolarHBondContact O-N 3.08Å
99I95.7Very high96.7Very high40 Ų4055.5 Ų55.521%0.20531%0.308CS..Hα-helixtrans-62.6-47.6174.9-67.2165.7000110V81 L89 E95 A96 L97 D101 S102 R103V81-I99 HydrophobicContact CG1-CG2 4.2Å; L89-I99 HydrophobicContact CD2-CD1 3.91Å; E95-I99 WeakPolarHBondContact O-CG1 3.22Å; E95-I99 PolarHBondContact O-N 3.28Å; A96-I99 PolarHBondContact O-N 2.78Å; L97-I99 VanDerWaalsContact C-N 3.35Å; L97-I99 PolarHBondContact O-N 3.46Å; I99-D101 PolarHBondContact O-N 3.41Å; I99-S102 WeakPolarHBondContact O-CB 3.46Å; I99-S102 PolarHBondContact O-N 2.95Å; I99-R103 HydrophobicContact CG2-CG 4.4Å; I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 2.83Å
100I96.2Very high96.8Very high2 Ų257.8 Ų57.81%0.0131%0.311CS..Hα-helixtrans-60-46.8179.3-69.7165.7000111Y37 L40 K41 I44 A96 L97 S102 R103 I104Y37-I100 HydrophobicContact CD1-CB 4.45Å; Y37-I100 HydrophobicContact CD1-CG1 4.16Å; Y37-I100 HydrophobicContact CD1-CG2 3.98Å; Y37-I100 HydrophobicContact CG-CG2 4.49Å; L40-I100 HydrophobicContact CD2-CD1 3.82Å; L40-I100 HydrophobicContact CD2-CG1 4.32Å; L40-I100 HydrophobicContact CG-CD1 3.86Å; K41-I100 HydrophobicContact CB-CG2 4.18Å; I44-I100 HydrophobicContact CD1-CD1 3.49Å; I44-I100 VanDerWaalsContact CD1-CD1 3.49Å; A96-I100 VanDerWaalsContact O-CG1 3.29Å; A96-I100 WeakPolarHBondContact O-CG1 3.23Å; A96-I100 PolarHBondContact O-N 2.88Å; L97-I100 PolarHBondContact O-N 3.02Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 3.29Å; I100-R103 PolarHBondContact O-N 2.84Å; I100-R103 VanDerWaalsContact O-N 3.13Å; I100-I104 HydrophobicContact CG2-CD1 3.74Å; I100-I104 HydrophobicContact CG2-CG1 4.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.29Å; I100-I104 PolarHBondContact O-N 3.15Å
101D97.6Very high96.9Very high65 Ų6550.8 Ų50.835%0.34828%0.278SS..Hα-helixtrans-62.2-38.8178.6-76.1-22.2000111.8K41 L97 I99 I104 S105K41-D101 VanDerWaalsContact NZ-CG 3.34Å; K41-D101 IonicContact NZ-OD1 3.67Å; K41-D101 PolarHBondContact NZ-OD1 2.96Å; K41-D101 IonicContact NZ-OD2 2.76Å; K41-D101 PolarHBondContact NZ-OD2 3.25Å; K41-D101 VanDerWaalsContact NZ-OD2 3.17Å; L97-D101 WeakPolarHBondContact O-CB 3.44Å; L97-D101 PolarHBondContact O-N 3.47Å; I99-D101 PolarHBondContact O-N 3.41Å; D101-I104 PolarHBondContact O-N 3.33Å; D101-S105 WeakPolarHBondContact O-CB 3.38Å; D101-S105 PolarHBondContact O-N 3.25Å
102S96.9Very high97Very high69 Ų6953.4 Ų53.448%0.48329%0.292SS..Hα-helixtrans-62.1-44.9172.7-172.40000112.2N98 I99 I100 S105 I106N98-S102 WeakPolarHBondContact O-CB 3.44Å; N98-S102 PolarHBondContact O-N 3.08Å; I99-S102 WeakPolarHBondContact O-CB 3.46Å; I99-S102 PolarHBondContact O-N 2.95Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 3.29Å; S102-S105 WeakPolarHBondContact O-CB 3.47Å; S102-S105 PolarHBondContact O-N 3.42Å; S102-I106 WeakPolarHBondContact O-CG1 3.34Å; S102-I106 PolarHBondContact O-N 3.39Å; S102-I106 VanDerWaalsContact O-N 3.15Å
103R96.8Very high97.2Very high94 Ų9456.6 Ų56.636%0.35531%0.305SS..Hα-helixtrans-63.3-45.7176.8-67.1-64.1-170.4-167.54111.6Y37 I83 I99 I100 S105 I106 L107Y37-R103 HydrophobicContact CE1-CB 4.08Å; Y37-R103 HydrophobicContact CE1-CG 4.25Å; Y37-R103 HydrophobicContact CE2-CB 4.22Å; I83-R103 PolarHBondContact O-NH2 3.23Å; I99-R103 HydrophobicContact CG2-CG 4.4Å; I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 2.83Å; I100-R103 PolarHBondContact O-N 2.84Å; I100-R103 VanDerWaalsContact O-N 3.13Å; R103-S105 VanDerWaalsContact C-N 3.31Å; R103-S105 PolarHBondContact O-N 3.4Å; R103-I106 PolarHBondContact O-N 3.1Å; R103-L107 WeakPolarHBondContact O-CG 3.35Å; R103-L107 PolarHBondContact O-N 2.93Å
104I98Very high97.4Very high18 Ų1858.9 Ų58.99%0.09231%0.314CS..Hα-helixtrans-59.2-42.8176.3-71.4172.5000110.6Y37 L38 I100 D101 I106 L107 N108Y37-I104 HydrophobicContact CG-CG1 4.3Å; L38-I104 HydrophobicContact CD2-CD1 3.92Å; L38-I104 HydrophobicContact CG-CD1 4.29Å; I100-I104 HydrophobicContact CG2-CD1 3.74Å; I100-I104 HydrophobicContact CG2-CG1 4.28Å; I100-I104 WeakPolarHBondContact O-CG1 3.29Å; I100-I104 PolarHBondContact O-N 3.15Å; D101-I104 PolarHBondContact O-N 3.33Å; I104-I106 PolarHBondContact O-N 3.14Å; I104-L107 PolarHBondContact O-N 2.9Å; I104-N108 VanDerWaalsContact CG2-ND2 3.34Å; I104-N108 WeakPolarHBondContact CG2-ND2 3.29Å; I104-N108 WeakPolarHBondContact O-CB 3.39Å; I104-N108 PolarHBondContact O-N 3.08Å; I104-N108 PolarHBondContact O-ND2 3.48Å
105S98.3Very high97.5Very high81 Ų8160.5 Ų60.557%0.56631%0.314SS*.Hα-helixtrans-58.7-46.3177-177.20000112.3D101 S102 R103 L107 N108 G109D101-S105 WeakPolarHBondContact O-CB 3.38Å; D101-S105 PolarHBondContact O-N 3.25Å; S102-S105 WeakPolarHBondContact O-CB 3.47Å; S102-S105 PolarHBondContact O-N 3.42Å; R103-S105 VanDerWaalsContact C-N 3.31Å; R103-S105 PolarHBondContact O-N 3.4Å; S105-L107 PolarHBondContact O-N 3.31Å; S105-N108 PolarHBondContact O-N 2.88Å; S105-G109 PolarHBondContact O-N 3.46Å; S105-G109 VanDerWaalsContact O-N 3.14Å
106I98Very high97.6Very high93 Ų9361.9 Ų61.948%0.47732%0.319SS..Hα-helixtrans-62-44.6176.1-66.6166.5000111S102 R103 I104 G109 R110S102-I106 WeakPolarHBondContact O-CG1 3.34Å; S102-I106 PolarHBondContact O-N 3.39Å; S102-I106 VanDerWaalsContact O-N 3.15Å; R103-I106 PolarHBondContact O-N 3.1Å; I104-I106 PolarHBondContact O-N 3.14Å; I106-G109 PolarHBondContact O-N 2.96Å; I106-R110 PolarHBondContact O-N 3.17Å; I106-R110 VanDerWaalsContact O-N 3.1Å
107L98.3Very high97.7Very high12 Ų1268.5 Ų68.56%0.06334%0.343CS..Hα-helixtrans-65.7-40179.9-69.3170.7000112V30 Q33 I34 Y37 R103 I104 S105 G109 R110 A111V30-L107 HydrophobicContact CG1-CB 4.14Å; V30-L107 HydrophobicContact CG1-CD2 4.11Å; V30-L107 WeakPolarHBondContact CG1-O 3.37Å; Q33-L107 HydrophobicContact CB-CD1 4.01Å; Q33-L107 HydrophobicContact CB-CD2 4.4Å; I34-L107 HydrophobicContact CD1-CB 3.95Å; I34-L107 HydrophobicContact CG1-CB 3.52Å; I34-L107 HydrophobicContact CG1-CD1 4.07Å; I34-L107 HydrophobicContact CG1-CG 4.42Å; Y37-L107 HydrophobicContact CD2-CD1 3.56Å; Y37-L107 HydrophobicContact CE2-CD1 3.69Å; R103-L107 WeakPolarHBondContact O-CG 3.35Å; R103-L107 PolarHBondContact O-N 2.93Å; I104-L107 PolarHBondContact O-N 2.9Å; S105-L107 PolarHBondContact O-N 3.31Å; L107-G109 VanDerWaalsContact C-N 3.3Å; L107-G109 PolarHBondContact O-N 2.84Å; L107-R110 CarbonylContact O-C 3.6Å; L107-R110 WeakPolarHBondContact O-CB 3.37Å; L107-R110 PolarHBondContact O-N 3.26Å; L107-R110 VanDerWaalsContact O-N 3.1Å; L107-A111 WeakPolarHBondContact O-CB 3.44Å; L107-A111 PolarHBondContact O-N 3.28Å
108N98.5Very high97.8Very high79 Ų7968 Ų6842%0.42234%0.341SS..Hα-helixtrans-58.6-42.2173.7-81.1-41.9000111.7I104 S105 R110 A111 D112I104-N108 VanDerWaalsContact CG2-ND2 3.34Å; I104-N108 WeakPolarHBondContact CG2-ND2 3.29Å; I104-N108 WeakPolarHBondContact O-CB 3.39Å; I104-N108 PolarHBondContact O-N 3.08Å; I104-N108 PolarHBondContact O-ND2 3.48Å; S105-N108 PolarHBondContact O-N 2.88Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 3.43Å; N108-A111 PolarHBondContact O-N 2.95Å; N108-D112 PolarHBondContact O-N 3.49Å
109G98.5Very high97.9Very high46 Ų4667.1 Ų67.147%0.47434%0.336SS..Hα-helixtrans-60.4-41.5173.600000112.8S105 I106 L107 M113S105-G109 PolarHBondContact O-N 3.46Å; S105-G109 VanDerWaalsContact O-N 3.14Å; I106-G109 PolarHBondContact O-N 2.96Å; L107-G109 VanDerWaalsContact C-N 3.3Å; L107-G109 PolarHBondContact O-N 2.84Å; G109-M113 PolarHBondContact O-N 2.86Å; G109-M113 VanDerWaalsContact O-N 3.07Å
110R98.2Very high98Very high125 Ų12568.2 Ų68.247%0.47235%0.348SS..Hα-helixtrans-67.4-41175.6-67.7176.974.3-179.53.1112.1V30 I106 L107 N108 D112 M113 Y114V30-R110 HydrophobicContact CG1-CB 4.26Å; I106-R110 PolarHBondContact O-N 3.17Å; I106-R110 VanDerWaalsContact O-N 3.1Å; L107-R110 CarbonylContact O-C 3.6Å; L107-R110 WeakPolarHBondContact O-CB 3.37Å; L107-R110 PolarHBondContact O-N 3.26Å; L107-R110 VanDerWaalsContact O-N 3.1Å; N108-R110 VanDerWaalsContact C-N 3.34Å; N108-R110 PolarHBondContact O-N 3.43Å; R110-D112 VanDerWaalsContact C-N 3.35Å; R110-M113 WeakPolarHBondContact O-CB 3.42Å; R110-M113 PolarHBondContact O-N 3.39Å; R110-Y114 VanDerWaalsContact O-CD2 3.22Å; R110-Y114 WeakPolarHBondContact O-CD2 3.31Å; R110-Y114 PolarHBondContact O-N 2.94Å
111A98.2Very high98.1Very high2 Ų268.8 Ų68.82%0.01735%0.351CS..Hα-helixtrans-61.7-44.1177.100000111.1V30 Y31 I34 L107 N108 M113 Y114 K115V30-A111 HydrophobicContact CG1-CB 3.95Å; Y31-A111 HydrophobicContact CE1-CB 4.03Å; Y31-A111 HydrophobicContact CE2-CB 4.27Å; I34-A111 HydrophobicContact CD1-CB 4.25Å; L107-A111 WeakPolarHBondContact O-CB 3.44Å; L107-A111 PolarHBondContact O-N 3.28Å; N108-A111 PolarHBondContact O-N 2.95Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.36Å; A111-Y114 PolarHBondContact O-N 2.84Å; A111-K115 WeakPolarHBondContact O-CB 3.38Å; A111-K115 PolarHBondContact O-N 3.45Å
112D98.2Very high98.2Very high64 Ų6470.4 Ų70.434%0.34236%0.355SS..Hα-helixtrans-63.6-38.1175.7-173.859.1000112.3N108 R110 Y114 K115 K116N108-D112 PolarHBondContact O-N 3.49Å; R110-D112 VanDerWaalsContact C-N 3.35Å; D112-Y114 PolarHBondContact O-N 2.9Å; D112-K115 PolarHBondContact O-N 3.21Å; D112-K116 WeakPolarHBondContact O-CB 3.45Å; D112-K116 WeakPolarHBondContact O-CG 3.46Å; D112-K116 PolarHBondContact O-N 3.38Å; D112-K116 WeakPolarHBondContact OD2-CD 3.26Å; D112-K116 WeakPolarHBondContact OD2-CE 3.44Å; D112-K116 IonicContact OD2-NZ 3.53Å; D112-K116 PolarHBondContact OD2-NZ 3.16Å
113M98.4Very high98.2Very high94 Ų9469.9 Ų69.946%0.46336%0.355SS..Hα-helixtrans-59.1-47.6173.4-170.5-146.774.500111.7G109 R110 A111 K116 R117G109-M113 PolarHBondContact O-N 2.86Å; G109-M113 VanDerWaalsContact O-N 3.07Å; R110-M113 WeakPolarHBondContact O-CB 3.42Å; R110-M113 PolarHBondContact O-N 3.39Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.36Å; M113-K116 PolarHBondContact O-N 2.97Å; M113-R117 WeakPolarHBondContact O-CB 3.44Å; M113-R117 PolarHBondContact O-N 3.13Å
114Y98.6Very high98.2Very high52 Ų5269.5 Ų69.520%0.20436%0.357CS..Hα-helixtrans-64.2-41.1176.8-75.3-61.1000112.1T23 A26 V30 R110 A111 D112 R117 A118T23-Y114 HydrophobicContact CG2-CD1 4.07Å; T23-Y114 WeakPolarHBondContact CG2-O 3.4Å; A26-Y114 HydrophobicContact CB-CD1 4.1Å; A26-Y114 HydrophobicContact CB-CE1 3.59Å; A26-Y114 HydrophobicContact CB-CE2 4.29Å; V30-Y114 HydrophobicContact CG2-CD2 4.11Å; V30-Y114 HydrophobicContact CG2-CE2 3.83Å; R110-Y114 VanDerWaalsContact O-CD2 3.22Å; R110-Y114 WeakPolarHBondContact O-CD2 3.31Å; R110-Y114 PolarHBondContact O-N 2.94Å; A111-Y114 PolarHBondContact O-N 2.84Å; D112-Y114 PolarHBondContact O-N 2.9Å; Y114-R117 PolarHBondContact O-N 3.25Å; Y114-A118 WeakPolarHBondContact O-CB 3.41Å; Y114-A118 PolarHBondContact O-N 3.29Å
115K98.2Very high98.1Very high117 Ų11769.5 Ų69.551%0.50936%0.357SS..Hα-helixtrans-58.9-48.8175.1-177179.7179.5179.60111.9A111 D112 R117 A118 N119A111-K115 WeakPolarHBondContact O-CB 3.38Å; A111-K115 PolarHBondContact O-N 3.45Å; D112-K115 PolarHBondContact O-N 3.21Å; K115-R117 PolarHBondContact O-N 3.48Å; K115-A118 PolarHBondContact O-N 2.96Å; K115-N119 WeakPolarHBondContact O-CB 3.48Å; K115-N119 VanDerWaalsContact O-CG 3.28Å; K115-N119 PolarHBondContact O-N 3.04Å; K115-N119 PolarHBondContact O-ND2 2.9Å
116K98.6Very high98Very high132 Ų13272.6 Ų72.657%0.57436%0.36SS*.Hα-helixtrans-60.6-44.9176.8-76.5170.6172.8161.20111.7D112 M113 N119 S120D112-K116 WeakPolarHBondContact O-CB 3.45Å; D112-K116 WeakPolarHBondContact O-CG 3.46Å; D112-K116 PolarHBondContact O-N 3.38Å; D112-K116 WeakPolarHBondContact OD2-CD 3.26Å; D112-K116 WeakPolarHBondContact OD2-CE 3.44Å; D112-K116 IonicContact OD2-NZ 3.53Å; D112-K116 PolarHBondContact OD2-NZ 3.16Å; M113-K116 PolarHBondContact O-N 2.97Å; K116-N119 PolarHBondContact O-N 2.88Å; K116-S120 PolarHBondContact O-N 2.95Å
117R98.3Very high97.9Very high139 Ų13974.1 Ų74.153%0.52537%0.368SS..Hα-helixtrans-62.3-45.3177.1-175.3176176.4151.71.7111.9T23 M113 Y114 K115 N119 S120 I121T23-R117 HydrophobicContact CG2-CB 3.82Å; T23-R117 HydrophobicContact CG2-CG 3.77Å; M113-R117 WeakPolarHBondContact O-CB 3.44Å; M113-R117 PolarHBondContact O-N 3.13Å; Y114-R117 PolarHBondContact O-N 3.25Å; K115-R117 PolarHBondContact O-N 3.48Å; R117-N119 VanDerWaalsContact C-N 3.33Å; R117-N119 PolarHBondContact O-N 2.85Å; R117-S120 WeakPolarHBondContact O-CB 3.17Å; R117-S120 PolarHBondContact O-N 3.21Å; R117-I121 HydrophobicContact CG-CD1 4.12Å; R117-I121 WeakPolarHBondContact O-CG1 3.11Å; R117-I121 PolarHBondContact O-N 3.49Å
118A98.5Very high97.6Very high3 Ų376.8 Ų76.83%0.02538%0.38CS..Hα-helixtrans-61.2-43177.400000111.3L20 T23 L24 Y114 K115 S120 I121 K122L20-A118 HydrophobicContact CD1-CB 3.87Å; L20-A118 WeakPolarHBondContact CD1-O 3.23Å; T23-A118 HydrophobicContact CG2-CB 4.01Å; L24-A118 HydrophobicContact CD2-CB 3.77Å; L24-A118 HydrophobicContact CG-CB 4.35Å; Y114-A118 WeakPolarHBondContact O-CB 3.41Å; Y114-A118 PolarHBondContact O-N 3.29Å; K115-A118 PolarHBondContact O-N 2.96Å; A118-S120 PolarHBondContact O-N 3.5Å; A118-I121 PolarHBondContact O-N 3.44Å; A118-K122 VanDerWaalsContact O-CG 3.31Å; A118-K122 WeakPolarHBondContact O-CG 3.44Å; A118-K122 PolarHBondContact O-N 3.48Å
119N98.5Very high97.2Very high82 Ų8277.1 Ų77.144%0.43938%0.381SS..Hα-helixtrans-63.1-40.3175.9-71.8-16.1000112.4K115 K116 R117 K122 A123K115-N119 WeakPolarHBondContact O-CB 3.48Å; K115-N119 VanDerWaalsContact O-CG 3.28Å; K115-N119 PolarHBondContact O-N 3.04Å; K115-N119 PolarHBondContact O-ND2 2.9Å; K116-N119 PolarHBondContact O-N 2.88Å; R117-N119 VanDerWaalsContact C-N 3.33Å; R117-N119 PolarHBondContact O-N 2.85Å; N119-K122 PolarHBondContact O-N 3.06Å; N119-A123 PolarHBondContact O-N 2.94Å
120S98.4Very high96.9Very high64 Ų6479.5 Ų79.545%0.44838%0.38SS..Hα-helixtrans-61.1-46.1174.8-175.30000111.8K116 R117 A118 K122 A123 Q124K116-S120 PolarHBondContact O-N 2.95Å; R117-S120 WeakPolarHBondContact O-CB 3.17Å; R117-S120 PolarHBondContact O-N 3.21Å; A118-S120 PolarHBondContact O-N 3.5Å; S120-K122 PolarHBondContact O-N 3.34Å; S120-A123 PolarHBondContact O-N 3.02Å; S120-Q124 WeakPolarHBondContact O-CG 3.23Å; S120-Q124 PolarHBondContact O-N 3.29Å
121I98.1Very high96.4Very high13 Ų1375 Ų757%0.06737%0.372CS..Hα-helixtrans-65.1-41.8178-61.2165000110.9L16 N19 L20 R117 A118 A123 Q124 I125L16-I121 HydrophobicContact CB-CG2 4.36Å; L16-I121 WeakPolarHBondContact O-CG2 3.38Å; N19-I121 HydrophobicContact CB-CD1 4.23Å; L20-I121 HydrophobicContact CB-CB 4.49Å; L20-I121 HydrophobicContact CB-CG2 3.79Å; L20-I121 HydrophobicContact CD1-CB 4.36Å; R117-I121 HydrophobicContact CG-CD1 4.12Å; R117-I121 WeakPolarHBondContact O-CG1 3.11Å; R117-I121 PolarHBondContact O-N 3.49Å; A118-I121 PolarHBondContact O-N 3.44Å; I121-A123 VanDerWaalsContact C-N 3.3Å; I121-A123 PolarHBondContact O-N 2.96Å; I121-Q124 PolarHBondContact O-N 2.94Å; I121-I125 HydrophobicContact CG2-CD1 4Å; I121-I125 HydrophobicContact CG2-CG1 4.41Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 3.29Å
122K98.3Very high96Very high99 Ų9975.3 Ų75.343%0.4337%0.374SS..Hα-helixtrans-58.2-42.5174.8-74.5173.6-176.11780111.7L20 A118 N119 S120 I125 K126L20-K122 HydrophobicContact CD1-CD 4.48Å; L20-K122 HydrophobicContact CD1-CG 3.88Å; L20-K122 HydrophobicContact CD2-CG 3.67Å; L20-K122 HydrophobicContact CG-CG 4.46Å; A118-K122 VanDerWaalsContact O-CG 3.31Å; A118-K122 WeakPolarHBondContact O-CG 3.44Å; A118-K122 PolarHBondContact O-N 3.48Å; N119-K122 PolarHBondContact O-N 3.06Å; S120-K122 PolarHBondContact O-N 3.34Å; K122-I125 PolarHBondContact O-N 3.05Å; K122-K126 PolarHBondContact O-N 3.01Å
123A98.1Very high95.4Very high59 Ų5979.3 Ų79.349%0.48838%0.384SS..Hα-helixtrans-64-42.9176.700000111.9N119 S120 I121 K126 L127N119-A123 PolarHBondContact O-N 2.94Å; S120-A123 PolarHBondContact O-N 3.02Å; I121-A123 VanDerWaalsContact C-N 3.3Å; I121-A123 PolarHBondContact O-N 2.96Å; A123-K126 PolarHBondContact O-N 3.13Å; A123-L127 PolarHBondContact O-N 3.08Å
124Q96.4Very high94.8Very high85 Ų8578.4 Ų78.440%0.39738%0.381SS..Hα-helixtrans-60.5-48.5175.1-69.5175.520.400111.6L16 S120 I121 K126 L127 F128L16-Q124 HydrophobicContact CD1-CB 4.39Å; S120-Q124 WeakPolarHBondContact O-CG 3.23Å; S120-Q124 PolarHBondContact O-N 3.29Å; I121-Q124 PolarHBondContact O-N 2.94Å; Q124-K126 VanDerWaalsContact C-N 3.29Å; Q124-K126 PolarHBondContact O-N 3.2Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-L127 VanDerWaalsContact O-N 3.14Å; Q124-F128 WeakPolarHBondContact O-CD2 3.49Å; Q124-F128 PolarHBondContact O-N 3.36Å
125I96.6Very high94.2Very high18 Ų1879.7 Ų79.79%0.09239%0.391CS..Hα-helixtrans-54.9-47.4176.6-69.3168000110.5V12 L16 K17 L20 I121 K122 L127 F128 L129V12-I125 HydrophobicContact CG1-CG2 4.13Å; L16-I125 HydrophobicContact CB-CD1 3.95Å; L16-I125 HydrophobicContact CB-CG1 3.52Å; L16-I125 HydrophobicContact CD1-CG1 3.95Å; L16-I125 HydrophobicContact CG-CG1 4.36Å; K17-I125 HydrophobicContact CG-CD1 4.18Å; L20-I125 HydrophobicContact CB-CD1 4.45Å; L20-I125 HydrophobicContact CD2-CD1 4.03Å; I121-I125 HydrophobicContact CG2-CD1 4Å; I121-I125 HydrophobicContact CG2-CG1 4.41Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 3.29Å; K122-I125 PolarHBondContact O-N 3.05Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.82Å; I125-F128 PolarHBondContact O-N 2.72Å; I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.47Å; I125-L129 PolarHBondContact O-N 3.17Å
126K95.9Very high93.3Very high147 Ų14777.7 Ų77.764%0.63938%0.384SS*.Hα-helixtrans-58-46.1178.7-173.4-179.7177.5-175.20111.6K122 A123 Q124 L129 E130K122-K126 PolarHBondContact O-N 3.01Å; A123-K126 PolarHBondContact O-N 3.13Å; Q124-K126 VanDerWaalsContact C-N 3.29Å; Q124-K126 PolarHBondContact O-N 3.2Å; K126-L129 PolarHBondContact O-N 2.71Å; K126-E130 WeakPolarHBondContact O-CB 3.16Å; K126-E130 PolarHBondContact O-N 2.83Å
127L94.4Very high92.4Very high124 Ų12474.6 Ų74.665%0.64937%0.373SS*.Hα-helixtrans-61.1-44.7178.8-172.6116.1000112.1A123 Q124 I125 E130 G131A123-L127 PolarHBondContact O-N 3.08Å; Q124-L127 WeakPolarHBondContact O-CB 3.47Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-L127 VanDerWaalsContact O-N 3.14Å; I125-L127 VanDerWaalsContact C-N 3.33Å; I125-L127 PolarHBondContact O-N 2.82Å; L127-E130 PolarHBondContact O-N 2.88Å; L127-G131 PolarHBondContact O-N 2.95Å
128F92.6Very high91.1Very high69 Ų6973 Ų7330%0.30337%0.374SS..Hα-helixtrans-64.8-42.1177.7-81.5-73.4000112.6I8 V12 L16 Q124 I125 E130 G131 L132I8-F128 HydrophobicContact CG2-CB 4.23Å; I8-F128 HydrophobicContact CG2-CD1 3.66Å; I8-F128 HydrophobicContact CG2-CE1 4.49Å; I8-F128 HydrophobicContact CG2-CG 4.35Å; V12-F128 HydrophobicContact CG2-CB 3.52Å; V12-F128 HydrophobicContact CG2-CG 4.08Å; L16-F128 HydrophobicContact CD1-CD2 3.6Å; L16-F128 HydrophobicContact CD1-CE2 3.88Å; Q124-F128 WeakPolarHBondContact O-CD2 3.49Å; Q124-F128 PolarHBondContact O-N 3.36Å; I125-F128 PolarHBondContact O-N 2.72Å; F128-E130 VanDerWaalsContact C-N 3.34Å; F128-G131 PolarHBondContact O-N 3.36Å; F128-L132 WeakPolarHBondContact O-CB 3.18Å; F128-L132 WeakPolarHBondContact O-CG 3.5Å; F128-L132 PolarHBondContact O-N 2.64Å
129L91.2Very high89.3Confident85 Ų8577.9 Ų77.945%0.44540%0.395SS..Hα-helixtrans-65.3-38.5177.9-69.3175.7000112V12 I125 K126 L132 R133V12-L129 HydrophobicContact CG1-CD2 4.28Å; I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 HydrophobicContact CG2-CG 4.3Å; I125-L129 WeakPolarHBondContact O-CG 3.47Å; I125-L129 PolarHBondContact O-N 3.17Å; K126-L129 PolarHBondContact O-N 2.71Å; L129-L132 HydrophobicContact CD2-CD1 4.46Å; L129-L132 PolarHBondContact O-N 2.92Å; L129-R133 PolarHBondContact O-N 2.82Å
130E90.8Very high87.5Confident96 Ų9683.4 Ų83.445%0.44941%0.409SS..Hα-helixtrans-67.9-41.5175.2-169.5164.1-163.800111.7K126 L127 F128 L132 R133 N134K126-E130 WeakPolarHBondContact O-CB 3.16Å; K126-E130 PolarHBondContact O-N 2.83Å; L127-E130 PolarHBondContact O-N 2.88Å; F128-E130 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 3.19Å; E130-R133 PolarHBondContact O-N 3.16Å; E130-N134 VanDerWaalsContact O-CG 3.29Å; E130-N134 PolarHBondContact O-N 3.46Å; E130-N134 PolarHBondContact O-ND2 3.21Å
131G88.3Confident85.5Confident31 Ų3187 Ų8732%0.3242%0.424SS..Hα-helixtrans-59.5-42.7172.200000112.9L127 F128 N134 L135L127-G131 PolarHBondContact O-N 2.95Å; F128-G131 PolarHBondContact O-N 3.36Å; G131-N134 PolarHBondContact O-N 3.19Å; G131-L135 WeakPolarHBondContact O-CG 2.95Å; G131-L135 PolarHBondContact O-N 3.33Å
132L88.8Confident83Confident9 Ų994.2 Ų94.25%0.04747%0.473CS..Hα-helixtrans-60.6-45.7174.1-81.9176.4000112.2I5 I8 E9 F128 L129 E130 N134 L135 Q136I5-L132 HydrophobicContact CB-CD2 4.27Å; I5-L132 HydrophobicContact CG1-CD2 4.27Å; I5-L132 HydrophobicContact CG2-CD2 3.95Å; I8-L132 HydrophobicContact CB-CD1 4.42Å; I8-L132 HydrophobicContact CB-CD2 3.85Å; I8-L132 HydrophobicContact CB-CG 4.22Å; I8-L132 HydrophobicContact CD1-CD2 4.16Å; I8-L132 HydrophobicContact CG2-CD1 3.79Å; I8-L132 HydrophobicContact CG2-CD2 3.86Å; I8-L132 HydrophobicContact CG2-CG 3.65Å; E9-L132 HydrophobicContact CG-CD1 3.61Å; E9-L132 HydrophobicContact CG-CD2 4.42Å; F128-L132 WeakPolarHBondContact O-CB 3.18Å; F128-L132 WeakPolarHBondContact O-CG 3.5Å; F128-L132 PolarHBondContact O-N 2.64Å; L129-L132 HydrophobicContact CD2-CD1 4.46Å; L129-L132 PolarHBondContact O-N 2.92Å; E130-L132 PolarHBondContact O-N 3.19Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.22Å; L132-L135 PolarHBondContact O-N 3.09Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.21Å
133R87.2Confident82.2Confident147 Ų14794 Ų9456%0.55548%0.475SS*.Hα-helixtrans-58.5-43.5177.8-167.7-179.978.4177.93.1111.3L129 E130 Q136 N137L129-R133 PolarHBondContact O-N 2.82Å; E130-R133 PolarHBondContact O-N 3.16Å; R133-Q136 PolarHBondContact O-N 3.01Å; R133-N137 WeakPolarHBondContact O-CB 3.37Å; R133-N137 PolarHBondContact O-N 3.32Å
134N86Confident81.4Confident75 Ų7595.8 Ų95.840%0.40148%0.475SS..Hα-helixtrans-65.4-43.2178.9-65.6-18.4000111.6E130 G131 L132 Q136 N137 I138E130-N134 VanDerWaalsContact O-CG 3.29Å; E130-N134 PolarHBondContact O-N 3.46Å; E130-N134 PolarHBondContact O-ND2 3.21Å; G131-N134 PolarHBondContact O-N 3.19Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.22Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 2.99Å; N134-N137 PolarHBondContact O-N 2.94Å; N134-I138 WeakPolarHBondContact O-CD1 3.41Å; N134-I138 VanDerWaalsContact O-CG1 3.27Å; N134-I138 WeakPolarHBondContact O-CG1 3.27Å; N134-I138 PolarHBondContact O-N 3.31Å
135L84.2Confident80.6Confident80 Ų8096.4 Ų96.442%0.41948%0.479SS..Hα-helixtrans-62.7-37.8176.3-72.7168.8000112.8I8 G131 L132 K139I8-L135 HydrophobicContact CD1-CD1 4.22Å; G131-L135 WeakPolarHBondContact O-CG 2.95Å; G131-L135 PolarHBondContact O-N 3.33Å; L132-L135 PolarHBondContact O-N 3.09Å; L135-K139 PolarHBondContact O-N 2.76Å
136Q80.3Confident79.6Confident74 Ų74101 Ų10135%0.34650%0.502SS..Hα-helixtrans-72.6-35.7177.8-71.8179.1-11.500112.5I5 L132 R133 N134 K139 R140I5-Q136 HydrophobicContact CD1-CG 4.01Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.21Å; R133-Q136 PolarHBondContact O-N 3.01Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-Q136 PolarHBondContact O-N 2.99Å; Q136-K139 PolarHBondContact O-N 3.21Å; Q136-R140 PolarHBondContact O-N 3.08Å
137N80.4Confident78.6Confident67 Ų6798.1 Ų98.136%0.35849%0.493SS..Hα-helixtrans-67.9-45.3175.4-74.9-12.1000111.7R133 N134 K139 R140 D141R133-N137 WeakPolarHBondContact O-CB 3.37Å; R133-N137 PolarHBondContact O-N 3.32Å; N134-N137 PolarHBondContact O-N 2.94Å; N137-K139 PolarHBondContact O-N 3.29Å; N137-R140 WeakPolarHBondContact O-CB 3.32Å; N137-R140 PolarHBondContact O-N 3.12Å; N137-D141 PolarHBondContact O-N 3.24Å
138I69.8Low77.5Confident105 Ų10596.4 Ų96.454%0.53848%0.483SS..Hα-helixtrans-57.1-35.6176-66.9163.4000111.1N134 R140 D141N134-I138 WeakPolarHBondContact O-CD1 3.41Å; N134-I138 VanDerWaalsContact O-CG1 3.27Å; N134-I138 WeakPolarHBondContact O-CG1 3.27Å; N134-I138 PolarHBondContact O-N 3.31Å; I138-R140 VanDerWaalsContact C-N 3.29Å; I138-R140 PolarHBondContact O-N 3.05Å; I138-D141 PolarHBondContact O-N 3.42Å
139K61.2Low76.5Confident107 Ų10798.4 Ų98.447%0.46550%0.496SS..THydrogen-bonded Turntrans-70.4-17.5175.8-97.9-165.2178-165.30115.4D2 L135 Q136 N137D2-K139 VanDerWaalsContact CB-NZ 3.34Å; D2-K139 WeakPolarHBondContact OD2-CE 3.43Å; D2-K139 IonicContact OD2-NZ 2.65Å; D2-K139 PolarHBondContact OD2-NZ 3.43Å; L135-K139 PolarHBondContact O-N 2.76Å; Q136-K139 PolarHBondContact O-N 3.21Å; N137-K139 PolarHBondContact O-N 3.29Å
140R59.6Low75.3Confident197 Ų19799.4 Ų99.474%0.74350%0.5SS*.THydrogen-bonded Turntrans-89.3-21176.7-77.2-179.8168.4144.9-3.1112.6Q136 N137 I138 C142Q136-R140 PolarHBondContact O-N 3.08Å; N137-R140 WeakPolarHBondContact O-CB 3.32Å; N137-R140 PolarHBondContact O-N 3.12Å; I138-R140 VanDerWaalsContact C-N 3.29Å; I138-R140 PolarHBondContact O-N 3.05Å; R140-C142 VanDerWaalsContact C-N 3.32Å
141D58.2Low74Confident141 Ų14199.7 Ų99.775%0.75450%0.504SS*.  trans-92.19.8-180-60.2-30.1000112.7N137 I138N137-D141 PolarHBondContact O-N 3.24Å; I138-D141 PolarHBondContact O-N 3.42Å
142C44.5Very low72.7Confident163 Ų163105.9 Ų105.9100%1.10152%0.521SS*.  trans-125.50175.8-67.50000109.8R140R140-C142 VanDerWaalsContact C-N 3.32Å

Retrieved 142 of 142 residues in 45.6 ms (Link to these results)

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