A0A077ZBE8_TRITR Loading...

histidine kinase

AlphaFold DB , UniProt , Accession A0A077ZBE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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
1M57.8Low70.7Confident216 Ų216127.9 Ų127.9100%1.06456%0.562SS**  0-43.10-108.5-170.5-171.400113.7R4 K5M1-R4 PolarHBondContact O-N 3.46Å; M1-K5 PolarHBondContact O-N 3.12Å
2F59.5Low71.9Confident184 Ų184124 Ų12481%0.80756%0.557SS**Hα-helixtrans-58-48.5-177.1-100.4-94000115.1R4 K5 R6F2-R4 PolarHBondContact O-N 2.9Å; F2-K5 PolarHBondContact O-N 2.87Å; F2-R6 PolarHBondContact O-N 3.3Å
3Y61.5Low72.9Confident172 Ų172118.5 Ų118.568%0.67554%0.535SS*.Hα-helixtrans-58.5-35.8178.4-104.1-91.7000113.3R6 I7Y3-R6 PolarHBondContact O-N 2.9Å; Y3-I7 HydrophobicContact CD1-CD1 3.86Å; Y3-I7 HydrophobicContact CE1-CD1 4.24Å; Y3-I7 PolarHBondContact O-N 2.98Å
4R63.7Low73.8Confident192 Ų192111.2 Ų111.273%0.72550%0.503SS*.Hα-helixtrans-65.6-43.1-179.8-134.3-161.4172.3177.2-3.1111.3M1 F2 L8M1-R4 PolarHBondContact O-N 3.46Å; F2-R4 PolarHBondContact O-N 2.9Å; R4-L8 HydrophobicContact CG-CD1 3.57Å; R4-L8 HydrophobicContact CG-CG 4.29Å; R4-L8 WeakPolarHBondContact O-CB 3.41Å; R4-L8 WeakPolarHBondContact O-CG 3.44Å; R4-L8 PolarHBondContact O-N 3.35Å
5K65.4Low74.8Confident161 Ų161111.3 Ų111.370%0.750%0.504SS*.Hα-helixtrans-72.2-36.7176.4-81.5-170.8174.4-175.10112.7M1 F2 I7 Q9M1-K5 PolarHBondContact O-N 3.12Å; F2-K5 PolarHBondContact O-N 2.87Å; K5-I7 VanDerWaalsContact C-N 3.33Å; K5-I7 PolarHBondContact O-N 2.85Å; K5-Q9 WeakPolarHBondContact O-CB 3.36Å
6R70.6Confident75.6Confident157 Ų157112.3 Ų112.359%0.59251%0.507SS*.Hα-helixtrans-70.9-24.4-176.4-146.6175.787.61768114.1F2 Y3 P10F2-R6 PolarHBondContact O-N 3.3Å; Y3-R6 PolarHBondContact O-N 2.9Å; R6-P10 WeakPolarHBondContact O-CG 3.45Å
7I76.1Confident76.3Confident68 Ų68106.8 Ų106.835%0.34949%0.486SS..Hα-helixtrans-110.8-44.2-178.3-61.2176.7000112.3Y3 K5 Q9 P10 I11 F38Y3-I7 HydrophobicContact CD1-CD1 3.86Å; Y3-I7 HydrophobicContact CE1-CD1 4.24Å; Y3-I7 PolarHBondContact O-N 2.98Å; K5-I7 VanDerWaalsContact C-N 3.33Å; K5-I7 PolarHBondContact O-N 2.85Å; I7-Q9 PolarHBondContact O-N 3.14Å; I7-P10 WeakPolarHBondContact O-CD 3.5Å; I7-P10 WeakPolarHBondContact O-CG 3.17Å; I7-I11 HydrophobicContact CG2-CD1 3.59Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.32Å; I7-I11 PolarHBondContact O-N 3.31Å; I7-F38 HydrophobicContact CG2-CZ 4.4Å
8L80.3Confident77.1Confident84 Ų84105 Ų10544%0.4448%0.48SS..Hα-helixtrans-67.1-38.3-175.5-68.7-179.9000112.3R4 I11 T12R4-L8 HydrophobicContact CG-CD1 3.57Å; R4-L8 HydrophobicContact CG-CG 4.29Å; R4-L8 WeakPolarHBondContact O-CB 3.41Å; R4-L8 WeakPolarHBondContact O-CG 3.44Å; R4-L8 PolarHBondContact O-N 3.35Å; L8-I11 PolarHBondContact O-N 2.7Å; L8-T12 WeakPolarHBondContact O-CB 3.25Å; L8-T12 PolarHBondContact O-N 3.48Å; L8-T12 PolarHBondContact O-OG1 3Å
9Q78.8Confident77.8Confident114 Ų114105.2 Ų105.253%0.53348%0.481SS..Hα-helixtrans-61.9-51.6-177.1-171.3177.4-6.300112.9K5 I7 I11 T12 I13K5-Q9 WeakPolarHBondContact O-CB 3.36Å; I7-Q9 PolarHBondContact O-N 3.14Å; Q9-I11 PolarHBondContact O-N 2.66Å; Q9-T12 PolarHBondContact O-N 2.69Å; Q9-I13 HydrophobicContact CG-CD1 4.14Å; Q9-I13 WeakPolarHBondContact O-CG1 3.42Å; Q9-I13 PolarHBondContact O-N 3.14Å; Q9-I13 VanDerWaalsContact O-N 3.11Å
10P79.9Confident78.3Confident0 Ų0101.9 Ų101.90%047%0.466CS..Hα-helixtrans-56.8-46.3173.42.8-13.2000113.3R6 I7 T12 I13 L14 Y32 F38R6-P10 WeakPolarHBondContact O-CG 3.45Å; I7-P10 WeakPolarHBondContact O-CD 3.5Å; I7-P10 WeakPolarHBondContact O-CG 3.17Å; P10-T12 PolarHBondContact O-N 2.91Å; P10-I13 PolarHBondContact O-N 3.2Å; P10-L14 WeakPolarHBondContact O-CG 3.24Å; P10-L14 PolarHBondContact O-N 3.41Å; P10-Y32 HydrophobicContact CB-CD1 4.13Å; P10-Y32 HydrophobicContact CB-CD2 4.2Å; P10-Y32 HydrophobicContact CB-CE1 3.54Å; P10-Y32 HydrophobicContact CB-CE2 3.67Å; P10-Y32 HydrophobicContact CB-CG 4.43Å; P10-Y32 VanDerWaalsContact CD-OH 3.3Å; P10-Y32 WeakPolarHBondContact CD-OH 3.19Å; P10-Y32 HydrophobicContact CG-CE1 3.97Å; P10-Y32 HydrophobicContact CG-CE2 4.07Å; P10-Y32 VanDerWaalsContact CG-CZ 3.49Å; P10-Y32 WeakPolarHBondContact CG-OH 3.23Å; P10-F38 HydrophobicContact CB-CB 3.9Å; P10-F38 HydrophobicContact CB-CD1 3.82Å; P10-F38 HydrophobicContact CB-CD2 3.87Å; P10-F38 HydrophobicContact CB-CE1 4.28Å; P10-F38 HydrophobicContact CB-CE2 4.33Å; P10-F38 HydrophobicContact CB-CG 3.59Å; P10-F38 HydrophobicContact CG-CD1 4.44Å; P10-F38 HydrophobicContact CG-CD2 3.76Å; P10-F38 HydrophobicContact CG-CE2 3.93Å; P10-F38 HydrophobicContact CG-CG 4.04Å; P10-F38 HydrophobicContact CG-CZ 4.34Å
11I83.9Confident78.8Confident59 Ų5997.8 Ų97.830%0.30345%0.448SS..Hα-helixtrans-60.1-46.9-178.8-68176.1000110.5I7 L8 Q9 I13 L14 E15 F38I7-I11 HydrophobicContact CG2-CD1 3.59Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.32Å; I7-I11 PolarHBondContact O-N 3.31Å; L8-I11 PolarHBondContact O-N 2.7Å; Q9-I11 PolarHBondContact O-N 2.66Å; I11-I13 VanDerWaalsContact C-N 3.3Å; I11-I13 PolarHBondContact O-N 2.78Å; I11-L14 PolarHBondContact O-N 3.08Å; I11-E15 HydrophobicContact CG2-CG 4.19Å; I11-E15 WeakPolarHBondContact O-CB 3.38Å; I11-E15 WeakPolarHBondContact O-CG 3.37Å; I11-E15 PolarHBondContact O-N 3.22Å; I11-F38 HydrophobicContact CG1-CE1 3.91Å; I11-F38 HydrophobicContact CG1-CZ 4.32Å
12T85.7Confident80.2Confident81 Ų8194.8 Ų94.850%0.49743%0.431SS..Hα-helixtrans-63.1-35.4178.3-56.90000112.5L8 Q9 P10 K16L8-T12 WeakPolarHBondContact O-CB 3.25Å; L8-T12 PolarHBondContact O-N 3.48Å; L8-T12 PolarHBondContact O-OG1 3Å; Q9-T12 PolarHBondContact O-N 2.69Å; P10-T12 PolarHBondContact O-N 2.91Å; T12-K16 VanDerWaalsContact O-CB 3.26Å; T12-K16 WeakPolarHBondContact O-CB 3.31Å; T12-K16 PolarHBondContact O-N 2.96Å
13I84.2Confident81.6Confident53 Ų5393.1 Ų93.127%0.27243%0.426SS..Hα-helixtrans-67.1-45.4175.8-69.5166.2000110.6Q9 P10 I11 S17 Y32Q9-I13 HydrophobicContact CG-CD1 4.14Å; Q9-I13 WeakPolarHBondContact O-CG1 3.42Å; Q9-I13 PolarHBondContact O-N 3.14Å; Q9-I13 VanDerWaalsContact O-N 3.11Å; P10-I13 PolarHBondContact O-N 3.2Å; I11-I13 VanDerWaalsContact C-N 3.3Å; I11-I13 PolarHBondContact O-N 2.78Å; I13-S17 WeakPolarHBondContact O-CB 3.31Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 3Å; I13-Y32 HydrophobicContact CD1-CD2 3.73Å; I13-Y32 HydrophobicContact CD1-CE2 4.06Å
14L86.2Confident82.7Confident16 Ų1686.4 Ų86.48%0.08441%0.409CS..Hα-helixtrans-65.5-46.7177.9-68.9173.3000111.5P10 I11 K16 S17 I18 V30 F38 T41 L45P10-L14 WeakPolarHBondContact O-CG 3.24Å; P10-L14 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 3.08Å; L14-K16 PolarHBondContact O-N 2.98Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 3.09Å; L14-S17 VanDerWaalsContact O-N 3.14Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.8Å; L14-V30 HydrophobicContact CD2-CG1 4.2Å; L14-F38 HydrophobicContact CD1-CD1 4.06Å; L14-T41 HydrophobicContact CD1-CG2 3.88Å; L14-T41 HydrophobicContact CD2-CG2 4.49Å; L14-L45 HydrophobicContact CD2-CD2 3.9Å
15E88.1Confident83.8Confident112 Ų11279.5 Ų79.552%0.52339%0.387SS..Hα-helixtrans-57.4-46.7176-77.9178.6163.400111.8I11 S17 I18 Q19I11-E15 HydrophobicContact CG2-CG 4.19Å; I11-E15 WeakPolarHBondContact O-CB 3.38Å; I11-E15 WeakPolarHBondContact O-CG 3.37Å; I11-E15 PolarHBondContact O-N 3.22Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 3.01Å; E15-I18 PolarHBondContact O-N 2.84Å; E15-Q19 WeakPolarHBondContact O-CG 3.18Å; E15-Q19 PolarHBondContact O-N 2.84Å
16K88.3Confident84.8Confident127 Ų12773.6 Ų73.655%0.55236%0.36SS*.Hα-helixtrans-62.9-39.9177-172.5178.5179.8-176.70111.5T12 L14 Q19 Q20T12-K16 VanDerWaalsContact O-CB 3.26Å; T12-K16 WeakPolarHBondContact O-CB 3.31Å; T12-K16 PolarHBondContact O-N 2.96Å; L14-K16 PolarHBondContact O-N 2.98Å; K16-Q19 PolarHBondContact O-N 2.74Å; K16-Q20 WeakPolarHBondContact O-CG 3.14Å; K16-Q20 PolarHBondContact O-N 2.82Å
17S88.1Confident85.3Confident20 Ų2074 Ų7414%0.1437%0.369CS..Hα-helixtrans-65.6-41.9177.6-60.10000111.8I13 L14 E15 Q20 I21I13-S17 WeakPolarHBondContact O-CB 3.31Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 3Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 3.09Å; L14-S17 VanDerWaalsContact O-N 3.14Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 3.01Å; S17-Q20 PolarHBondContact O-N 2.94Å; S17-I21 VanDerWaalsContact O-CG1 3.29Å; S17-I21 WeakPolarHBondContact O-CG1 3.44Å; S17-I21 PolarHBondContact O-N 3.01Å
18I89.4Confident85.5Confident74 Ų7475.8 Ų75.838%0.37938%0.376SS..Hα-helixtrans-60.5-47.6174-69.1166.2000110.2L14 E15 Q20 I21 E22 L45L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.8Å; E15-I18 PolarHBondContact O-N 2.84Å; I18-Q20 VanDerWaalsContact C-N 3.29Å; I18-Q20 PolarHBondContact O-N 2.8Å; I18-I21 PolarHBondContact O-N 3.16Å; I18-I21 VanDerWaalsContact O-N 3.09Å; I18-E22 HydrophobicContact CG2-CG 4.25Å; I18-E22 WeakPolarHBondContact O-CG 3.18Å; I18-E22 PolarHBondContact O-N 2.96Å; I18-L45 HydrophobicContact CD1-CD2 4.5Å; I18-L45 HydrophobicContact CG1-CD1 4.04Å; I18-L45 HydrophobicContact CG1-CD2 3.8Å
19Q90.4Very high85.6Confident108 Ų10874.5 Ų74.551%0.50537%0.372SS..Hα-helixtrans-58.8-38.4176.9-74.9179.1-11.600112.9E15 K16 Q23E15-Q19 WeakPolarHBondContact O-CG 3.18Å; E15-Q19 PolarHBondContact O-N 2.84Å; K16-Q19 PolarHBondContact O-N 2.74Å; Q19-Q23 WeakPolarHBondContact O-CB 3.48Å; Q19-Q23 VanDerWaalsContact O-CG 3.27Å; Q19-Q23 WeakPolarHBondContact O-CG 3.48Å; Q19-Q23 PolarHBondContact O-N 3.07Å; Q19-Q23 VanDerWaalsContact O-N 3.17Å
20Q88.2Confident85.6Confident39 Ų3969.2 Ų69.218%0.18235%0.348CS..Hα-helixtrans-65.3-43.7174.6-68.9-59-61.100111.6K16 S17 I18 Q23 G24 N25K16-Q20 WeakPolarHBondContact O-CG 3.14Å; K16-Q20 PolarHBondContact O-N 2.82Å; S17-Q20 PolarHBondContact O-N 2.94Å; I18-Q20 VanDerWaalsContact C-N 3.29Å; I18-Q20 PolarHBondContact O-N 2.8Å; Q20-Q23 PolarHBondContact O-N 2.76Å; Q20-G24 PolarHBondContact O-N 3.29Å; Q20-N25 HydrophobicContact CB-CB 4.35Å; Q20-N25 WeakPolarHBondContact O-CA 3.32Å; Q20-N25 WeakPolarHBondContact O-CB 3.44Å; Q20-N25 PolarHBondContact O-N 3.36Å; Q20-N25 PolarHBondContact OE1-ND2 3.42Å
21I88.8Confident85.2Confident17 Ų1777.4 Ų77.49%0.08738%0.38CS..Hα-helixtrans-63.6-43.2178.3-68.6166.3000111.1S17 I18 Q23 G24 Y26 V30 L45 R49 L52S17-I21 VanDerWaalsContact O-CG1 3.29Å; S17-I21 WeakPolarHBondContact O-CG1 3.44Å; S17-I21 PolarHBondContact O-N 3.01Å; I18-I21 PolarHBondContact O-N 3.16Å; I18-I21 VanDerWaalsContact O-N 3.09Å; I21-Q23 VanDerWaalsContact C-N 3.28Å; I21-Q23 PolarHBondContact O-N 3.21Å; I21-G24 PolarHBondContact O-N 3.27Å; I21-Y26 HydrophobicContact CG2-CE1 4.16Å; I21-V30 HydrophobicContact CD1-CG2 4.43Å; I21-L45 HydrophobicContact CD1-CD1 3.69Å; I21-L45 HydrophobicContact CD1-CG 3.98Å; I21-R49 HydrophobicContact CD1-CB 3.84Å; I21-R49 HydrophobicContact CD1-CG 4.15Å; I21-R49 HydrophobicContact CG1-CB 4.23Å; I21-R49 HydrophobicContact CG1-CG 4.01Å; I21-L52 HydrophobicContact CG2-CD1 3.61Å
22E88.2Confident84.6Confident153 Ų15375.8 Ų75.872%0.71537%0.37SS*.Hα-helixtrans-63-32.9177.2-74.2-177.7156.900112.6I18 G24I18-E22 HydrophobicContact CG2-CG 4.25Å; I18-E22 WeakPolarHBondContact O-CG 3.18Å; I18-E22 PolarHBondContact O-N 2.96Å; E22-G24 PolarHBondContact O-N 3.04Å
23Q88.4Confident83.6Confident148 Ų14878.5 Ų78.569%0.69238%0.382SS*.THydrogen-bonded Turntrans-813.7174.9-68.4173.77.300113.3Q19 Q20 I21 N25Q19-Q23 WeakPolarHBondContact O-CB 3.48Å; Q19-Q23 VanDerWaalsContact O-CG 3.27Å; Q19-Q23 WeakPolarHBondContact O-CG 3.48Å; Q19-Q23 PolarHBondContact O-N 3.07Å; Q19-Q23 VanDerWaalsContact O-N 3.17Å; Q20-Q23 PolarHBondContact O-N 2.76Å; I21-Q23 VanDerWaalsContact C-N 3.28Å; I21-Q23 PolarHBondContact O-N 3.21Å; Q23-N25 VanDerWaalsContact C-N 3.27Å; Q23-N25 PolarHBondContact O-N 2.79Å
24G83.9Confident82.6Confident31 Ų3178.5 Ų78.532%0.3238%0.384SS..THydrogen-bonded Turntrans75.511.4-177.900000114.2Q20 I21 E22 Y26Q20-G24 PolarHBondContact O-N 3.29Å; I21-G24 PolarHBondContact O-N 3.27Å; E22-G24 PolarHBondContact O-N 3.04Å; G24-Y26 WeakPolarHBondContact O-CD2 3.24Å; G24-Y26 PolarHBondContact O-N 2.86Å
25N86.8Confident81.7Confident48 Ų4888.3 Ų88.326%0.25742%0.422SS..  trans-86.787.3175.5-172.52.8000111Q20 Q23 Q27Q20-N25 HydrophobicContact CB-CB 4.35Å; Q20-N25 WeakPolarHBondContact O-CA 3.32Å; Q20-N25 WeakPolarHBondContact O-CB 3.44Å; Q20-N25 PolarHBondContact O-N 3.36Å; Q20-N25 PolarHBondContact OE1-ND2 3.42Å; Q23-N25 VanDerWaalsContact C-N 3.27Å; Q23-N25 PolarHBondContact O-N 2.79Å; N25-Q27 VanDerWaalsContact C-N 3.31Å; N25-Q27 PolarHBondContact O-N 2.82Å; N25-Q27 PolarHBondContact OD1-N 3.35Å; N25-Q27 VanDerWaalsContact OD1-N 3.13Å
26Y86Confident81.1Confident37 Ų3784.8 Ų84.815%0.14541%0.406CS..THydrogen-bonded Turntrans-85.96.6176.4-46.2-61.3000113.8I21 G24 R49 L52 Q53 E56I21-Y26 HydrophobicContact CG2-CE1 4.16Å; G24-Y26 WeakPolarHBondContact O-CD2 3.24Å; G24-Y26 PolarHBondContact O-N 2.86Å; Y26-R49 HydrophobicContact CD1-CG 4.35Å; Y26-R49 PolarHBondContact O-NH1 3.02Å; Y26-L52 HydrophobicContact CD1-CB 4.1Å; Y26-L52 HydrophobicContact CE1-CB 3.64Å; Y26-L52 HydrophobicContact CE1-CD1 4.1Å; Y26-L52 HydrophobicContact CE1-CG 4.5Å; Y26-Q53 HydrophobicContact CD2-CB 4.34Å; Y26-Q53 HydrophobicContact CG-CB 4.05Å; Y26-Q53 HydrophobicContact CG-CG 4.46Å; Y26-E56 HydrophobicContact CD2-CB 4.39Å; Y26-E56 HydrophobicContact CE2-CB 3.9Å; Y26-E56 HydrophobicContact CE2-CG 4.05Å
27Q81.5Confident80.5Confident166 Ų16686 Ų8678%0.77641%0.414SS*.THydrogen-bonded Turntrans-81.1-18.6-174-63.1-173.94.400113.5N25 P29N25-Q27 VanDerWaalsContact C-N 3.31Å; N25-Q27 PolarHBondContact O-N 2.82Å; N25-Q27 PolarHBondContact OD1-N 3.35Å; N25-Q27 VanDerWaalsContact OD1-N 3.13Å; Q27-P29 WeakPolarHBondContact O-CD 3.16Å
28Q81Confident80.2Confident104 Ų10487.2 Ų87.249%0.48642%0.417SS..SBendtrans-95.6117.6-178.2-66-1671.400110.7R49Q28-R49 WeakPolarHBondContact O-CD 3.42Å; Q28-R49 PolarHBondContact O-NE 3.33Å
29P81.7Confident79.8Confident57 Ų5786.1 Ų86.137%0.3741%0.41SS..  trans-70.5147.2177.129.4-34.1000111.7Q27 Y31Q27-P29 WeakPolarHBondContact O-CD 3.16Å; P29-Y31 HydrophobicContact CB-CD2 3.69Å; P29-Y31 HydrophobicContact CB-CE2 3.25Å; P29-Y31 HydrophobicContact CG-CD2 3.6Å; P29-Y31 HydrophobicContact CG-CE2 3.2Å; P29-Y31 PolarHBondContact O-N 3.45Å
30V79.1Confident79.5Confident4 Ų489.3 Ų89.32%0.02442%0.422CS..  trans-91.197.9177.2-172.70000108.7L14 I21 S42 L45 E46L14-V30 HydrophobicContact CD2-CG1 4.2Å; I21-V30 HydrophobicContact CD1-CG2 4.43Å; V30-S42 PolarHBondContact O-OG 3.02Å; V30-L45 HydrophobicContact CG1-CB 4.32Å; V30-L45 HydrophobicContact CG1-CD2 3.88Å; V30-L45 HydrophobicContact CG1-CG 4.24Å; V30-L45 HydrophobicContact CG2-CD2 4.24Å; V30-L45 HydrophobicContact CG2-CG 4.11Å; V30-E46 HydrophobicContact CB-CB 4.17Å; V30-E46 PolarHBondContact N-OE2 3.22Å
31Y72.3Confident79.4Confident172 Ų17291.1 Ų91.168%0.67544%0.436SS*.  trans-112.9118.1177.2-69.5-63.3000111.7P29P29-Y31 HydrophobicContact CB-CD2 3.69Å; P29-Y31 HydrophobicContact CB-CE2 3.25Å; P29-Y31 HydrophobicContact CG-CD2 3.6Å; P29-Y31 HydrophobicContact CG-CE2 3.2Å; P29-Y31 PolarHBondContact O-N 3.45Å
32Y70.9Confident79.2Confident25 Ų2590.5 Ų90.510%0.09843%0.434CS..  trans-135.2109.4164.8-170-106.2000108.6P10 I13 T34 F38 S42P10-Y32 HydrophobicContact CB-CD1 4.13Å; P10-Y32 HydrophobicContact CB-CD2 4.2Å; P10-Y32 HydrophobicContact CB-CE1 3.54Å; P10-Y32 HydrophobicContact CB-CE2 3.67Å; P10-Y32 HydrophobicContact CB-CG 4.43Å; P10-Y32 VanDerWaalsContact CD-OH 3.3Å; P10-Y32 WeakPolarHBondContact CD-OH 3.19Å; P10-Y32 HydrophobicContact CG-CE1 3.97Å; P10-Y32 HydrophobicContact CG-CE2 4.07Å; P10-Y32 VanDerWaalsContact CG-CZ 3.49Å; P10-Y32 WeakPolarHBondContact CG-OH 3.23Å; I13-Y32 HydrophobicContact CD1-CD2 3.73Å; I13-Y32 HydrophobicContact CD1-CE2 4.06Å; Y32-T34 WeakPolarHBondContact CE1-OG1 3.23Å; Y32-T34 PolarHBondContact OH-OG1 3.24Å; Y32-F38 HydrophobicContact CD1-CB 3.7Å; Y32-F38 HydrophobicContact CE1-CB 3.62Å; Y32-F38 HydrophobicContact CE1-CG 4.4Å; Y32-S42 PolarHBondContact N-OG 2.67Å; Y32-S42 VanDerWaalsContact N-OG 3.17Å
33N63.9Low79.2Confident138 Ų13888.4 Ų88.474%0.73843%0.427SS*.  trans-11567.6-167.6-154.823.8000110.8
34T64.5Low79.1Confident53 Ų5383.5 Ų83.533%0.32542%0.415SS..SBendtrans-129.4136.5167.2450000108Y32 D36 E39Y32-T34 WeakPolarHBondContact CE1-OG1 3.23Å; Y32-T34 PolarHBondContact OH-OG1 3.24Å; T34-D36 WeakPolarHBondContact CB-OD2 3.18Å; T34-D36 PolarHBondContact O-N 2.96Å; T34-D36 VanDerWaalsContact OG1-CG 3.28Å; T34-D36 PolarHBondContact OG1-OD1 2.81Å; T34-D36 PolarHBondContact OG1-OD2 3.2Å; T34-E39 WeakPolarHBondContact O-CB 3.49Å
35Y67Low79.4Confident222 Ų22283.1 Ų83.187%0.87141%0.406SS*.SBendtrans-68.849.7-178.9-64.5-81.7000113.1
36D75.3Confident79.5Confident37 Ų3782 Ų8220%0.19840%0.399CS..SBendtrans-122.5-179.3-178.965.735.6000111.3T34 F38 E39T34-D36 WeakPolarHBondContact CB-OD2 3.18Å; T34-D36 PolarHBondContact O-N 2.96Å; T34-D36 VanDerWaalsContact OG1-CG 3.28Å; T34-D36 PolarHBondContact OG1-OD1 2.81Å; T34-D36 PolarHBondContact OG1-OD2 3.2Å; D36-F38 PolarHBondContact O-N 3.18Å; D36-F38 VanDerWaalsContact O-N 3.12Å; D36-F38 WeakPolarHBondContact OD1-CA 3.38Å; D36-F38 VanDerWaalsContact OD1-CB 3.28Å; D36-F38 WeakPolarHBondContact OD1-CB 3.43Å; D36-F38 PolarHBondContact OD1-N 3.29Å; D36-E39 PolarHBondContact O-N 3.12Å
37E75.3Confident79.6Confident152 Ų15286.4 Ų86.471%0.7142%0.421SS*.Hα-helixtrans-62.8-17.4-176.7-59.887.5166.200113.6
38F81.2Confident80.1Confident47 Ų4782.6 Ų82.621%0.20641%0.406CS..Hα-helixtrans-83.1-20.9179.5-61.8-83.4000113.2I7 P10 I11 L14 Y32 D36 K40 T41 S42I7-F38 HydrophobicContact CG2-CZ 4.4Å; P10-F38 HydrophobicContact CB-CB 3.9Å; P10-F38 HydrophobicContact CB-CD1 3.82Å; P10-F38 HydrophobicContact CB-CD2 3.87Å; P10-F38 HydrophobicContact CB-CE1 4.28Å; P10-F38 HydrophobicContact CB-CE2 4.33Å; P10-F38 HydrophobicContact CB-CG 3.59Å; P10-F38 HydrophobicContact CG-CD1 4.44Å; P10-F38 HydrophobicContact CG-CD2 3.76Å; P10-F38 HydrophobicContact CG-CE2 3.93Å; P10-F38 HydrophobicContact CG-CG 4.04Å; P10-F38 HydrophobicContact CG-CZ 4.34Å; I11-F38 HydrophobicContact CG1-CE1 3.91Å; I11-F38 HydrophobicContact CG1-CZ 4.32Å; L14-F38 HydrophobicContact CD1-CD1 4.06Å; Y32-F38 HydrophobicContact CD1-CB 3.7Å; Y32-F38 HydrophobicContact CE1-CB 3.62Å; Y32-F38 HydrophobicContact CE1-CG 4.4Å; D36-F38 PolarHBondContact O-N 3.18Å; D36-F38 VanDerWaalsContact O-N 3.12Å; D36-F38 WeakPolarHBondContact OD1-CA 3.38Å; D36-F38 VanDerWaalsContact OD1-CB 3.28Å; D36-F38 WeakPolarHBondContact OD1-CB 3.43Å; D36-F38 PolarHBondContact OD1-N 3.29Å; F38-K40 VanDerWaalsContact C-N 3.35Å; F38-K40 PolarHBondContact O-N 3.3Å; F38-T41 WeakPolarHBondContact O-CB 3.3Å; F38-T41 PolarHBondContact O-N 3.33Å; F38-T41 VanDerWaalsContact O-N 3.16Å; F38-S42 PolarHBondContact O-N 2.77Å
39E82.3Confident80.6Confident51 Ų5178.3 Ų78.324%0.23839%0.385CS..Hα-helixtrans-58.1-47.6175-171.7177.6-173.200111.3T34 D36 T41 S42 L43T34-E39 WeakPolarHBondContact O-CB 3.49Å; D36-E39 PolarHBondContact O-N 3.12Å; E39-T41 VanDerWaalsContact C-N 3.26Å; E39-T41 PolarHBondContact O-N 2.96Å; E39-S42 WeakPolarHBondContact O-CB 3.2Å; E39-S42 PolarHBondContact O-N 3.16Å; E39-S42 VanDerWaalsContact O-N 3.15Å; E39-L43 HydrophobicContact CG-CD1 4.19Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.48Å
40K83.1Confident81Confident174 Ų17479.2 Ų79.276%0.75739%0.386SS*.Hα-helixtrans-58.1-40.8176.5-70.7-176.1179.9178.20111.9F38 G44F38-K40 VanDerWaalsContact C-N 3.35Å; F38-K40 PolarHBondContact O-N 3.3Å; K40-G44 PolarHBondContact O-N 3.01Å
41T85.7Confident81.5Confident78 Ų7881.5 Ų81.548%0.47940%0.4SS..Hα-helixtrans-67.4-42.8177.8-53.30000111.2L14 F38 E39 G44 L45L14-T41 HydrophobicContact CD1-CG2 3.88Å; L14-T41 HydrophobicContact CD2-CG2 4.49Å; F38-T41 WeakPolarHBondContact O-CB 3.3Å; F38-T41 PolarHBondContact O-N 3.33Å; F38-T41 VanDerWaalsContact O-N 3.16Å; E39-T41 VanDerWaalsContact C-N 3.26Å; E39-T41 PolarHBondContact O-N 2.96Å; T41-G44 PolarHBondContact O-N 3.4Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 2.76Å
42S86.1Confident82.4Confident4 Ų476 Ų763%0.02838%0.382CS..Hα-helixtrans-61.4-44.4175.7-171.50000112V30 Y32 F38 E39 L45 E46V30-S42 PolarHBondContact O-OG 3.02Å; Y32-S42 PolarHBondContact N-OG 2.67Å; Y32-S42 VanDerWaalsContact N-OG 3.17Å; F38-S42 PolarHBondContact O-N 2.77Å; E39-S42 WeakPolarHBondContact O-CB 3.2Å; E39-S42 PolarHBondContact O-N 3.16Å; E39-S42 VanDerWaalsContact O-N 3.15Å; S42-L45 PolarHBondContact O-N 2.72Å; S42-E46 WeakPolarHBondContact O-CB 3.3Å; S42-E46 PolarHBondContact O-N 2.89Å
43L86.3Confident83.4Confident109 Ų10978 Ų7857%0.57139%0.392SS*.Hα-helixtrans-63.4-42.7176.9-71.5170.7000111.7E39 E46 H47E39-L43 HydrophobicContact CG-CD1 4.19Å; E39-L43 WeakPolarHBondContact O-CG 3.3Å; E39-L43 PolarHBondContact O-N 3.48Å; L43-E46 PolarHBondContact O-N 3.46Å; L43-H47 WeakPolarHBondContact O-CB 3.44Å; L43-H47 PolarHBondContact O-N 3.49Å
44G87.3Confident84.6Confident44 Ų4474.8 Ų74.845%0.45438%0.378SS..Hα-helixtrans-62.3-42.6174.800000112.8K40 T41 H47 L48K40-G44 PolarHBondContact O-N 3.01Å; T41-G44 PolarHBondContact O-N 3.4Å; G44-H47 PolarHBondContact O-N 3.21Å; G44-L48 PolarHBondContact O-N 3.09Å
45L89.5Confident85.7Confident23 Ų2375.9 Ų75.912%0.1238%0.381CS..Hα-helixtrans-67.8-38.6177.2-173.660.7000112.1L14 I18 I21 V30 T41 S42 L48 R49L14-L45 HydrophobicContact CD2-CD2 3.9Å; I18-L45 HydrophobicContact CD1-CD2 4.5Å; I18-L45 HydrophobicContact CG1-CD1 4.04Å; I18-L45 HydrophobicContact CG1-CD2 3.8Å; I21-L45 HydrophobicContact CD1-CD1 3.69Å; I21-L45 HydrophobicContact CD1-CG 3.98Å; V30-L45 HydrophobicContact CG1-CB 4.32Å; V30-L45 HydrophobicContact CG1-CD2 3.88Å; V30-L45 HydrophobicContact CG1-CG 4.24Å; V30-L45 HydrophobicContact CG2-CD2 4.24Å; V30-L45 HydrophobicContact CG2-CG 4.11Å; T41-L45 WeakPolarHBondContact O-CB 3.5Å; T41-L45 PolarHBondContact O-N 2.76Å; S42-L45 PolarHBondContact O-N 2.72Å; L45-L48 HydrophobicContact CD1-CD2 4.44Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-R49 PolarHBondContact O-N 2.73Å
46E89.2Confident86.8Confident24 Ų2468.2 Ų68.211%0.11235%0.354CS..Hα-helixtrans-63.8-43.4174.6178.661.6-179.600111.6V30 S42 L43 L48 R49 L50V30-E46 HydrophobicContact CB-CB 4.17Å; V30-E46 PolarHBondContact N-OE2 3.22Å; S42-E46 WeakPolarHBondContact O-CB 3.3Å; S42-E46 PolarHBondContact O-N 2.89Å; L43-E46 PolarHBondContact O-N 3.46Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 2.61Å; E46-R49 WeakPolarHBondContact O-CB 3.44Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 2.84Å; E46-R49 IonicContact OE1-NE 2.79Å; E46-R49 IonicContact OE1-NH2 2.8Å; E46-R49 PolarHBondContact OE1-NH2 3.02Å; E46-R49 IonicContact OE2-CZ 2.72Å; E46-R49 IonicContact OE2-NE 3.02Å; E46-R49 PolarHBondContact OE2-NE 3.22Å; E46-R49 IonicContact OE2-NH2 2.63Å; E46-R49 PolarHBondContact OE2-NH2 3.36Å; E46-L50 HydrophobicContact CG-CD1 4.23Å; E46-L50 WeakPolarHBondContact O-CG 2.93Å; E46-L50 PolarHBondContact O-N 3.19Å
47H89.5Confident87.3Confident131 Ų13172.7 Ų72.761%0.60637%0.371SS*.Hα-helixtrans-59.7-43.2174.2-178.5-87.1000111.6L43 G44 L50 T51L43-H47 WeakPolarHBondContact O-CB 3.44Å; L43-H47 PolarHBondContact O-N 3.49Å; G44-H47 PolarHBondContact O-N 3.21Å; H47-L50 PolarHBondContact O-N 3.01Å; H47-T51 WeakPolarHBondContact O-CB 2.96Å; H47-T51 PolarHBondContact O-N 3.46Å; H47-T51 PolarHBondContact O-OG1 3.06Å
48L90Very high87.5Confident86 Ų8671 Ų7145%0.4536%0.361SS..Hα-helixtrans-62.1-45.3175-179.163.6000111.7G44 L45 E46 L50 T51 L52G44-L48 PolarHBondContact O-N 3.09Å; L45-L48 HydrophobicContact CD1-CD2 4.44Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 2.61Å; L48-L50 PolarHBondContact O-N 2.71Å; L48-T51 PolarHBondContact O-N 3.4Å; L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.31Å; L48-L52 HydrophobicContact CG-CD1 4.09Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.43Å
49R92Very high87.5Confident14 Ų1474.1 Ų74.15%0.05338%0.38CS..Hα-helixtrans-57.6-49.5176.8-173.9-164.665.171.2-3.7111.5I21 Y26 Q28 L45 E46 T51 L52 Q53I21-R49 HydrophobicContact CD1-CB 3.84Å; I21-R49 HydrophobicContact CD1-CG 4.15Å; I21-R49 HydrophobicContact CG1-CB 4.23Å; I21-R49 HydrophobicContact CG1-CG 4.01Å; Y26-R49 HydrophobicContact CD1-CG 4.35Å; Y26-R49 PolarHBondContact O-NH1 3.02Å; Q28-R49 WeakPolarHBondContact O-CD 3.42Å; Q28-R49 PolarHBondContact O-NE 3.33Å; L45-R49 PolarHBondContact O-N 2.73Å; E46-R49 WeakPolarHBondContact O-CB 3.44Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 2.84Å; E46-R49 IonicContact OE1-NE 2.79Å; E46-R49 IonicContact OE1-NH2 2.8Å; E46-R49 PolarHBondContact OE1-NH2 3.02Å; E46-R49 IonicContact OE2-CZ 2.72Å; E46-R49 IonicContact OE2-NE 3.02Å; E46-R49 PolarHBondContact OE2-NE 3.22Å; E46-R49 IonicContact OE2-NH2 2.63Å; E46-R49 PolarHBondContact OE2-NH2 3.36Å; R49-T51 VanDerWaalsContact C-N 3.32Å; R49-T51 PolarHBondContact O-N 3.47Å; R49-L52 PolarHBondContact O-N 2.98Å; R49-Q53 WeakPolarHBondContact O-CB 3.39Å; R49-Q53 PolarHBondContact O-N 3.13Å
50L90.9Very high87.5Confident76 Ų7676.5 Ų76.540%0.39839%0.389SS..Hα-helixtrans-62.4-39.3178.5-74171.2000112.1E46 H47 L48 Q53 T54E46-L50 HydrophobicContact CG-CD1 4.23Å; E46-L50 WeakPolarHBondContact O-CG 2.93Å; E46-L50 PolarHBondContact O-N 3.19Å; H47-L50 PolarHBondContact O-N 3.01Å; L48-L50 PolarHBondContact O-N 2.71Å; L50-Q53 PolarHBondContact O-N 3.08Å; L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 2.81Å; L50-T54 PolarHBondContact O-OG1 2.86Å
51T90.1Very high87.1Confident51 Ų5172.2 Ų72.231%0.31337%0.372SS..Hα-helixtrans-63.7-48175.9-58.50000111.1H47 L48 R49 T54 N55H47-T51 WeakPolarHBondContact O-CB 2.96Å; H47-T51 PolarHBondContact O-N 3.46Å; H47-T51 PolarHBondContact O-OG1 3.06Å; L48-T51 PolarHBondContact O-N 3.4Å; R49-T51 VanDerWaalsContact C-N 3.32Å; R49-T51 PolarHBondContact O-N 3.47Å; T51-T54 PolarHBondContact O-N 2.98Å; T51-N55 WeakPolarHBondContact O-CB 3.21Å; T51-N55 PolarHBondContact O-N 3.07Å
52L91.2Very high86.4Confident56 Ų5674.5 Ų74.529%0.29338%0.379SS..Hα-helixtrans-62.7-43.4176.9-72.2172.3000111.8I21 Y26 L48 R49 T54 N55 E56I21-L52 HydrophobicContact CG2-CD1 3.61Å; Y26-L52 HydrophobicContact CD1-CB 4.1Å; Y26-L52 HydrophobicContact CE1-CB 3.64Å; Y26-L52 HydrophobicContact CE1-CD1 4.1Å; Y26-L52 HydrophobicContact CE1-CG 4.5Å; L48-L52 HydrophobicContact CD1-CD1 4.3Å; L48-L52 HydrophobicContact CD1-CG 4.31Å; L48-L52 HydrophobicContact CG-CD1 4.09Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.43Å; R49-L52 PolarHBondContact O-N 2.98Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.04Å; L52-N55 PolarHBondContact O-N 3.25Å; L52-E56 WeakPolarHBondContact O-CB 3.44Å; L52-E56 PolarHBondContact O-N 3.48Å
53Q90.9Very high85.6Confident69 Ų6980.4 Ų80.432%0.32240%0.402SS..Hα-helixtrans-58-44.4175.4-169.3174.820.200111.9Y26 R49 L50 K57Y26-Q53 HydrophobicContact CD2-CB 4.34Å; Y26-Q53 HydrophobicContact CG-CB 4.05Å; Y26-Q53 HydrophobicContact CG-CG 4.46Å; R49-Q53 WeakPolarHBondContact O-CB 3.39Å; R49-Q53 PolarHBondContact O-N 3.13Å; L50-Q53 PolarHBondContact O-N 3.08Å; Q53-K57 WeakPolarHBondContact O-CB 3.19Å; Q53-K57 PolarHBondContact O-N 2.82Å
54T89.7Confident84.9Confident70 Ų7083 Ų8343%0.42940%0.404SS..Hα-helixtrans-65-44.4178.3-58.90000111L50 T51 L52 K57 K58L50-T54 WeakPolarHBondContact O-CB 3.37Å; L50-T54 PolarHBondContact O-N 2.81Å; L50-T54 PolarHBondContact O-OG1 2.86Å; T51-T54 PolarHBondContact O-N 2.98Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.04Å; T54-K57 PolarHBondContact O-N 2.85Å; T54-K58 WeakPolarHBondContact O-CG 3.24Å; T54-K58 PolarHBondContact O-N 2.83Å
55N87.6Confident84Confident75 Ų7584.5 Ų84.540%0.40140%0.401SS..Hα-helixtrans-66.9-40178.1-72-11.4000112.2T51 L52 K57 K58 L59T51-N55 WeakPolarHBondContact O-CB 3.21Å; T51-N55 PolarHBondContact O-N 3.07Å; L52-N55 PolarHBondContact O-N 3.25Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 2.85Å; N55-K58 PolarHBondContact O-N 2.85Å; N55-L59 WeakPolarHBondContact O-CB 3.43Å; N55-L59 WeakPolarHBondContact O-CG 3.46Å; N55-L59 PolarHBondContact O-N 3.17Å
56E88.7Confident82.9Confident62 Ų6288.8 Ų88.829%0.2942%0.421SS..Hα-helixtrans-61.8-43.4175.8-165.7-150.5-164.200111Y26 L52 L59 K60Y26-E56 HydrophobicContact CD2-CB 4.39Å; Y26-E56 HydrophobicContact CE2-CB 3.9Å; Y26-E56 HydrophobicContact CE2-CG 4.05Å; L52-E56 WeakPolarHBondContact O-CB 3.44Å; L52-E56 PolarHBondContact O-N 3.48Å; E56-L59 PolarHBondContact O-N 3.5Å; E56-K60 HydrophobicContact CG-CD 4.44Å; E56-K60 WeakPolarHBondContact O-CB 3.41Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 2.85Å; E56-K60 WeakPolarHBondContact OE1-CE 3.42Å; E56-K60 IonicContact OE1-NZ 3.73Å; E56-K60 PolarHBondContact OE1-NZ 3.38Å; E56-K60 IonicContact OE2-NZ 2.64Å; E56-K60 PolarHBondContact OE2-NZ 3.24Å
57K87.2Confident81.8Confident130 Ų13093.1 Ų93.157%0.56544%0.439SS*.Hα-helixtrans-60.2-48.3175-174.5-179.6173-173.30111.3Q53 T54 N55 L59 K60 E61Q53-K57 WeakPolarHBondContact O-CB 3.19Å; Q53-K57 PolarHBondContact O-N 2.82Å; T54-K57 PolarHBondContact O-N 2.85Å; N55-K57 VanDerWaalsContact C-N 3.34Å; N55-K57 PolarHBondContact O-N 2.85Å; K57-L59 PolarHBondContact O-N 2.98Å; K57-K60 PolarHBondContact O-N 2.92Å; K57-E61 WeakPolarHBondContact CE-OE1 3.36Å; K57-E61 WeakPolarHBondContact O-CG 3.22Å; K57-E61 PolarHBondContact O-N 2.92Å
58K79.2Confident80.7Confident116 Ų11693.4 Ų93.450%0.50444%0.439SS..Hα-helixtrans-58.7-46176.4-73.9178177.9-1780112.1T54 N55 K60 E61 M62T54-K58 WeakPolarHBondContact O-CG 3.24Å; T54-K58 PolarHBondContact O-N 2.83Å; N55-K58 PolarHBondContact O-N 2.85Å; K58-K60 PolarHBondContact O-N 3.27Å; K58-E61 PolarHBondContact O-N 3.42Å; K58-M62 VanDerWaalsContact O-CG 3.3Å; K58-M62 WeakPolarHBondContact O-CG 3.33Å; K58-M62 PolarHBondContact O-N 3.33Å
59L81.1Confident79.4Confident113 Ų11391.4 Ų91.459%0.59243%0.43SS*.Hα-helixtrans-61.7-42.2177.4-76.4168.2000112.1N55 E56 K57 E61 M62 Y63N55-L59 WeakPolarHBondContact O-CB 3.43Å; N55-L59 WeakPolarHBondContact O-CG 3.46Å; N55-L59 PolarHBondContact O-N 3.17Å; E56-L59 PolarHBondContact O-N 3.5Å; K57-L59 PolarHBondContact O-N 2.98Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-M62 PolarHBondContact O-N 3.48Å; L59-Y63 WeakPolarHBondContact O-CB 3.38Å; L59-Y63 PolarHBondContact O-N 2.76Å
60K81.6Confident78.2Confident101 Ų10194.6 Ų94.644%0.43945%0.448SS..Hα-helixtrans-64.2-39.2175.7-76.8174.1-178.7164.50112.1E56 K57 K58 R64E56-K60 HydrophobicContact CG-CD 4.44Å; E56-K60 WeakPolarHBondContact O-CB 3.41Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 2.85Å; E56-K60 WeakPolarHBondContact OE1-CE 3.42Å; E56-K60 IonicContact OE1-NZ 3.73Å; E56-K60 PolarHBondContact OE1-NZ 3.38Å; E56-K60 IonicContact OE2-NZ 2.64Å; E56-K60 PolarHBondContact OE2-NZ 3.24Å; K57-K60 PolarHBondContact O-N 2.92Å; K58-K60 PolarHBondContact O-N 3.27Å; K60-R64 WeakPolarHBondContact O-CB 3.41Å; K60-R64 VanDerWaalsContact O-CG 3.24Å; K60-R64 WeakPolarHBondContact O-CG 3.23Å; K60-R64 PolarHBondContact O-N 2.92Å
61E76.3Confident77.1Confident84 Ų8494 Ų9439%0.39345%0.454SS..Hα-helixtrans-63.9-52.5174.7-74168.7175.900110.4K57 K58 L59 Y63 R64 D65K57-E61 WeakPolarHBondContact CE-OE1 3.36Å; K57-E61 WeakPolarHBondContact O-CG 3.22Å; K57-E61 PolarHBondContact O-N 2.92Å; K58-E61 PolarHBondContact O-N 3.42Å; L59-E61 VanDerWaalsContact C-N 3.35Å; E61-Y63 VanDerWaalsContact C-N 3.32Å; E61-Y63 PolarHBondContact O-N 3.05Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 3.44Å; E61-D65 PolarHBondContact O-N 2.85Å
62M69.3Low75.8Confident127 Ų12793.4 Ų93.463%0.62646%0.455SS*.Hα-helixtrans-54.1-45.1175.5-70.4173.67000112.6K58 L59 R64 D65 Q66K58-M62 VanDerWaalsContact O-CG 3.3Å; K58-M62 WeakPolarHBondContact O-CG 3.33Å; K58-M62 PolarHBondContact O-N 3.33Å; L59-M62 PolarHBondContact O-N 3.48Å; M62-R64 PolarHBondContact O-N 2.84Å; M62-D65 PolarHBondContact O-N 3.47Å; M62-Q66 WeakPolarHBondContact O-CB 3.35Å; M62-Q66 PolarHBondContact O-N 3.09Å
63Y69.9Low74.6Confident128 Ų12891.8 Ų91.850%0.50245%0.445SS..Hα-helixtrans-67.4-36.2179.3-174.4-105.9000112.7L59 E61 K67L59-Y63 WeakPolarHBondContact O-CB 3.38Å; L59-Y63 PolarHBondContact O-N 2.76Å; E61-Y63 VanDerWaalsContact C-N 3.32Å; E61-Y63 PolarHBondContact O-N 3.05Å; Y63-K67 HydrophobicContact CD1-CD 4.21Å; Y63-K67 HydrophobicContact CE1-CD 3.76Å; Y63-K67 HydrophobicContact CE1-CG 4.34Å; Y63-K67 VanDerWaalsContact CE1-NZ 3.33Å; Y63-K67 WeakPolarHBondContact O-CB 3.3Å; Y63-K67 WeakPolarHBondContact O-CG 3.48Å; Y63-K67 PolarHBondContact O-N 3.03Å; Y63-K67 WeakPolarHBondContact OH-CE 3.22Å; Y63-K67 PolarHBondContact OH-NZ 2.84Å
64R72.7Confident73.7Confident163 Ų16391.5 Ų91.562%0.61545%0.451SS*.Hα-helixtrans-65.9-42.1173.4-77.1171.3177.4174.7-0.5111.1K60 E61 M62 K67 K68K60-R64 WeakPolarHBondContact O-CB 3.41Å; K60-R64 VanDerWaalsContact O-CG 3.24Å; K60-R64 WeakPolarHBondContact O-CG 3.23Å; K60-R64 PolarHBondContact O-N 2.92Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 3.44Å; M62-R64 PolarHBondContact O-N 2.84Å; R64-K67 WeakPolarHBondContact O-CB 3.37Å; R64-K67 PolarHBondContact O-N 2.79Å; R64-K68 WeakPolarHBondContact O-CG 3.46Å; R64-K68 PolarHBondContact O-N 2.93Å
65D66.5Low72.8Confident75 Ų7593.2 Ų93.240%0.40145%0.454SS..Hα-helixtrans-69.2-42.3179.7-64.2-26000111E61 M62 K67 K68 V69E61-D65 PolarHBondContact O-N 2.85Å; M62-D65 PolarHBondContact O-N 3.47Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.32Å; D65-K68 WeakPolarHBondContact O-CB 3.38Å; D65-K68 PolarHBondContact O-N 3.49Å; D65-K68 VanDerWaalsContact O-N 3.14Å; D65-K68 IonicContact OD1-NZ 3.31Å; D65-K68 PolarHBondContact OD1-NZ 3.43Å; D65-V69 WeakPolarHBondContact O-CB 3.49Å; D65-V69 VanDerWaalsContact O-CG2 3.27Å; D65-V69 WeakPolarHBondContact O-CG2 3.32Å; D65-V69 PolarHBondContact O-N 3.45Å
66Q66.5Low71.8Confident113 Ų11391 Ų9153%0.52844%0.442SS..Hα-helixtrans-57.6-40.7171-169.5-179.933.900112.1M62 V69 N70M62-Q66 WeakPolarHBondContact O-CB 3.35Å; M62-Q66 PolarHBondContact O-N 3.09Å; Q66-V69 PolarHBondContact O-N 2.92Å; Q66-N70 WeakPolarHBondContact O-CB 3.5Å; Q66-N70 VanDerWaalsContact O-CG 3.27Å; Q66-N70 PolarHBondContact O-N 2.73Å
67K67.7Low71.3Confident116 Ų11690.8 Ų90.850%0.50444%0.442SS..Hα-helixtrans-64-42.7174.9-86.4-174.6168.3177.60113Y63 R64 D65 V69 N70 A71Y63-K67 HydrophobicContact CD1-CD 4.21Å; Y63-K67 HydrophobicContact CE1-CD 3.76Å; Y63-K67 HydrophobicContact CE1-CG 4.34Å; Y63-K67 VanDerWaalsContact CE1-NZ 3.33Å; Y63-K67 WeakPolarHBondContact O-CB 3.3Å; Y63-K67 WeakPolarHBondContact O-CG 3.48Å; Y63-K67 PolarHBondContact O-N 3.03Å; Y63-K67 WeakPolarHBondContact OH-CE 3.22Å; Y63-K67 PolarHBondContact OH-NZ 2.84Å; R64-K67 WeakPolarHBondContact O-CB 3.37Å; R64-K67 PolarHBondContact O-N 2.79Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.32Å; K67-V69 VanDerWaalsContact C-N 3.33Å; K67-N70 PolarHBondContact O-N 3.06Å; K67-A71 WeakPolarHBondContact O-CB 3Å; K67-A71 PolarHBondContact O-N 3.07Å
68K65.9Low71Confident136 Ų13692.3 Ų92.359%0.59145%0.445SS*.Hα-helixtrans-61.6-45.2175.8-68.9171.9-166.4155.70110.6R64 D65 A71 A72R64-K68 WeakPolarHBondContact O-CG 3.46Å; R64-K68 PolarHBondContact O-N 2.93Å; D65-K68 WeakPolarHBondContact O-CB 3.38Å; D65-K68 PolarHBondContact O-N 3.49Å; D65-K68 VanDerWaalsContact O-N 3.14Å; D65-K68 IonicContact OD1-NZ 3.31Å; D65-K68 PolarHBondContact OD1-NZ 3.43Å; K68-A71 PolarHBondContact O-N 2.74Å; K68-A72 PolarHBondContact O-N 3.15Å
69V62.9Low70.8Confident45 Ų4589.1 Ų89.127%0.27344%0.435SS..Hα-helixtrans-59.5-48.5177.4165.80000110.4D65 Q66 K67 A71 A72 F73 P233D65-V69 WeakPolarHBondContact O-CB 3.49Å; D65-V69 VanDerWaalsContact O-CG2 3.27Å; D65-V69 WeakPolarHBondContact O-CG2 3.32Å; D65-V69 PolarHBondContact O-N 3.45Å; Q66-V69 PolarHBondContact O-N 2.92Å; K67-V69 VanDerWaalsContact C-N 3.33Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-A71 PolarHBondContact O-N 2.88Å; V69-A72 WeakPolarHBondContact O-CB 3.35Å; V69-A72 PolarHBondContact O-N 2.96Å; V69-F73 HydrophobicContact CB-CE2 4.31Å; V69-F73 HydrophobicContact CG1-CD2 3.92Å; V69-F73 HydrophobicContact CG1-CE1 4.3Å; V69-F73 HydrophobicContact CG1-CE2 3.05Å; V69-F73 HydrophobicContact CG1-CZ 3.29Å; V69-F73 WeakPolarHBondContact O-CD2 3.49Å; V69-F73 WeakPolarHBondContact O-CG 3.49Å; V69-F73 PolarHBondContact O-N 3.29Å; V69-P233 HydrophobicContact CG2-CG 4.47Å
70N65.4Low70.9Confident81 Ų8183.9 Ų83.943%0.43341%0.407SS..Hα-helixtrans-61.6-35.5174.5-72.9-13000114.5Q66 K67 F73 S74Q66-N70 WeakPolarHBondContact O-CB 3.5Å; Q66-N70 VanDerWaalsContact O-CG 3.27Å; Q66-N70 PolarHBondContact O-N 2.73Å; K67-N70 PolarHBondContact O-N 3.06Å; N70-F73 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 3.29Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 2.98Å
71A68Low71.2Confident62 Ų6283.5 Ų83.551%0.51241%0.41SS..Hα-helixtrans-69.6-43.3175.600000111.5K67 K68 V69 F73 S74 H75K67-A71 WeakPolarHBondContact O-CB 3Å; K67-A71 PolarHBondContact O-N 3.07Å; K68-A71 PolarHBondContact O-N 2.74Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-A71 PolarHBondContact O-N 2.88Å; A71-F73 VanDerWaalsContact C-N 3.3Å; A71-F73 PolarHBondContact O-N 3.3Å; A71-S74 PolarHBondContact O-N 3.1Å; A71-H75 PolarHBondContact O-N 3.48Å; A71-H75 VanDerWaalsContact O-N 3.08Å
72A62.7Low71.9Confident40 Ų4081.3 Ų81.333%0.33141%0.406SS..Hα-helixtrans-59.4-42.1173.800000111K68 V69 S74 H75 D76K68-A72 PolarHBondContact O-N 3.15Å; V69-A72 WeakPolarHBondContact O-CB 3.35Å; V69-A72 PolarHBondContact O-N 2.96Å; A72-S74 PolarHBondContact O-N 3.06Å; A72-H75 WeakPolarHBondContact O-CB 3.42Å; A72-H75 PolarHBondContact O-N 2.9Å; A72-D76 WeakPolarHBondContact O-CB 3.45Å; A72-D76 PolarHBondContact O-N 2.91Å
73F67.4Low72.8Confident21 Ų2177.3 Ų77.39%0.09239%0.389CS..Hα-helixtrans-56.1-52173.2-64.4-37.4000114.2V69 N70 A71 H75 D76 L77 F122 M126 Y234V69-F73 HydrophobicContact CB-CE2 4.31Å; V69-F73 HydrophobicContact CG1-CD2 3.92Å; V69-F73 HydrophobicContact CG1-CE1 4.3Å; V69-F73 HydrophobicContact CG1-CE2 3.05Å; V69-F73 HydrophobicContact CG1-CZ 3.29Å; V69-F73 WeakPolarHBondContact O-CD2 3.49Å; V69-F73 WeakPolarHBondContact O-CG 3.49Å; V69-F73 PolarHBondContact O-N 3.29Å; N70-F73 WeakPolarHBondContact O-CB 3.42Å; A71-F73 VanDerWaalsContact C-N 3.3Å; A71-F73 PolarHBondContact O-N 3.3Å; F73-H75 PolarHBondContact O-N 3.03Å; F73-D76 PolarHBondContact O-N 3.06Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 WeakPolarHBondContact O-CG 2.93Å; F73-L77 PolarHBondContact O-N 3.18Å; F73-F122 HydrophobicContact CB-CZ 4.17Å; F73-F122 AromaticContact CD1-CE2 3.78Å; F73-F122 HydrophobicContact CD1-CE2 3.78Å; F73-F122 AromaticContact CD1-CZ 3.51Å; F73-F122 HydrophobicContact CD1-CZ 3.51Å; F73-F122 HydrophobicContact CE1-CE2 4.19Å; F73-F122 HydrophobicContact CE1-CZ 4.11Å; F73-F122 HydrophobicContact CG-CZ 4.14Å; F73-M126 HydrophobicContact CB-CE 4.42Å; F73-M126 HydrophobicContact CD1-CE 3.23Å; F73-M126 HydrophobicContact CD2-CE 3.56Å; F73-M126 HydrophobicContact CE1-CE 2.99Å; F73-M126 HydrophobicContact CE1-SD 4.27Å; F73-M126 HydrophobicContact CE2-CE 3.4Å; F73-M126 HydrophobicContact CE2-SD 4.3Å; F73-M126 HydrophobicContact CG-CE 3.51Å; F73-M126 HydrophobicContact CZ-CE 3.13Å; F73-M126 HydrophobicContact CZ-SD 4.01Å; F73-Y234 HydrophobicContact CD1-CD1 4.39Å; F73-Y234 AromaticContact CD1-CD2 4Å; F73-Y234 HydrophobicContact CD1-CD2 4Å; F73-Y234 HydrophobicContact CD1-CE1 4.36Å; F73-Y234 HydrophobicContact CD1-CE2 4.15Å; F73-Y234 HydrophobicContact CD1-CG 4.21Å; F73-Y234 AromaticContact CE1-CD1 3.95Å; F73-Y234 HydrophobicContact CE1-CD1 3.95Å; F73-Y234 AromaticContact CE1-CD2 3.09Å; F73-Y234 HydrophobicContact CE1-CD2 3.09Å; F73-Y234 AromaticContact CE1-CE1 3.71Å; F73-Y234 HydrophobicContact CE1-CE1 3.71Å; F73-Y234 AromaticContact CE1-CE2 2.97Å; F73-Y234 HydrophobicContact CE1-CE2 2.97Å; F73-Y234 AromaticContact CE1-CG 3.68Å; F73-Y234 HydrophobicContact CE1-CG 3.68Å; F73-Y234 AromaticContact CE1-CZ 3.25Å; F73-Y234 AromaticContact CZ-CD2 3.76Å; F73-Y234 HydrophobicContact CZ-CD2 3.76Å; F73-Y234 AromaticContact CZ-CE2 3.31Å; F73-Y234 HydrophobicContact CZ-CE2 3.31Å; F73-Y234 AromaticContact CZ-CZ 3.76Å
74S72.3Confident73.9Confident64 Ų6472.5 Ų72.545%0.44837%0.372SS..Hα-helixtrans-61.2-36.7-178.1-59.80000110.9N70 A71 A72 R78N70-S74 PolarHBondContact O-N 3.29Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 2.98Å; A71-S74 PolarHBondContact O-N 3.1Å; A72-S74 PolarHBondContact O-N 3.06Å; S74-R78 VanDerWaalsContact O-CB 3.29Å; S74-R78 WeakPolarHBondContact O-CB 3.49Å; S74-R78 PolarHBondContact O-N 3.07Å; S74-R78 VanDerWaalsContact O-N 3.14Å
75H70.7Confident74.9Confident105 Ų10570.1 Ų70.149%0.48637%0.367SS..Hα-helixtrans-67-46.3176.1177.9-85.9000112.4A71 A72 F73 L77 R78 T79A71-H75 PolarHBondContact O-N 3.48Å; A71-H75 VanDerWaalsContact O-N 3.08Å; A72-H75 WeakPolarHBondContact O-CB 3.42Å; A72-H75 PolarHBondContact O-N 2.9Å; F73-H75 PolarHBondContact O-N 3.03Å; H75-L77 PolarHBondContact O-N 2.98Å; H75-R78 PolarHBondContact O-N 3.29Å; H75-T79 PolarHBondContact O-N 2.9Å; H75-T79 VanDerWaalsContact O-N 3.17Å; H75-T79 PolarHBondContact O-OG1 3.13Å; H75-T79 VanDerWaalsContact O-OG1 3.13Å
76D66.3Low76.2Confident28 Ų2871 Ų7115%0.1537%0.372CS..Hα-helixtrans-76.6-22.4-174.6-76.22000113.7A72 F73 P80 F243A72-D76 WeakPolarHBondContact O-CB 3.45Å; A72-D76 PolarHBondContact O-N 2.91Å; F73-D76 PolarHBondContact O-N 3.06Å; D76-P80 WeakPolarHBondContact O-CD 3.46Å; D76-P80 WeakPolarHBondContact O-CG 3.43Å; D76-F243 HydrophobicContact CB-CE1 3.88Å; D76-F243 HydrophobicContact CB-CZ 4.12Å
77L77.2Confident77.4Confident58 Ų5866.2 Ų66.230%0.30435%0.35SS..Hα-helixtrans-75.5-41.3166-73.1176.7000112F73 H75 T79 P80 L81 L119 F122F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 WeakPolarHBondContact O-CG 2.93Å; F73-L77 PolarHBondContact O-N 3.18Å; H75-L77 PolarHBondContact O-N 2.98Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.49Å; L77-P80 VanDerWaalsContact O-CD 3.26Å; L77-P80 WeakPolarHBondContact O-CD 3.49Å; L77-P80 WeakPolarHBondContact O-CG 3.35Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CD1 3.13Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.1Å; L77-L81 PolarHBondContact O-N 3.4Å; L77-L119 HydrophobicContact CD2-CD2 3.41Å; L77-L119 VanDerWaalsContact CD2-CD2 3.41Å; L77-F122 HydrophobicContact CD1-CE1 3.92Å; L77-F122 HydrophobicContact CD1-CZ 4.38Å; L77-F122 HydrophobicContact CD2-CD1 3.46Å; L77-F122 VanDerWaalsContact CD2-CD1 3.46Å; L77-F122 HydrophobicContact CD2-CE1 3.47Å; L77-F122 VanDerWaalsContact CD2-CE1 3.47Å; L77-F122 HydrophobicContact CD2-CG 4.18Å; L77-F122 HydrophobicContact CD2-CZ 4.17Å; L77-F122 HydrophobicContact CG-CD1 4.21Å; L77-F122 HydrophobicContact CG-CE1 3.71Å; L77-F122 HydrophobicContact CG-CZ 4.02Å
78R80.6Confident78.7Confident163 Ų16364.5 Ų64.562%0.61535%0.346SS*.Hα-helixtrans-62.8-36.2-178.1-171.1-178-61.2132.62.5112.1S74 H75 L81 A82S74-R78 VanDerWaalsContact O-CB 3.29Å; S74-R78 WeakPolarHBondContact O-CB 3.49Å; S74-R78 PolarHBondContact O-N 3.07Å; S74-R78 VanDerWaalsContact O-N 3.14Å; H75-R78 PolarHBondContact O-N 3.29Å; R78-L81 PolarHBondContact O-N 3.12Å; R78-A82 VanDerWaalsContact O-CB 3.24Å; R78-A82 WeakPolarHBondContact O-CB 3.47Å; R78-A82 PolarHBondContact O-N 3.31Å
79T76.3Confident80Confident48 Ų4862.5 Ų62.529%0.29434%0.339SS..Hα-helixtrans-61.8-55.4-177.5-59.40000114.1H75 L77 A82 T83H75-T79 PolarHBondContact O-N 2.9Å; H75-T79 VanDerWaalsContact O-N 3.17Å; H75-T79 PolarHBondContact O-OG1 3.13Å; H75-T79 VanDerWaalsContact O-OG1 3.13Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.49Å; T79-A82 PolarHBondContact O-N 3.22Å; T79-T83 PolarHBondContact O-N 3.02Å; T79-T83 PolarHBondContact O-OG1 3.42Å
80P82.3Confident81.4Confident3 Ų363.4 Ų63.42%0.01934%0.342CS..Hα-helixtrans-66.6-35175.226.5-34.4000111.9D76 L77 T83 I84 L119D76-P80 WeakPolarHBondContact O-CD 3.46Å; D76-P80 WeakPolarHBondContact O-CG 3.43Å; L77-P80 VanDerWaalsContact O-CD 3.26Å; L77-P80 WeakPolarHBondContact O-CD 3.49Å; L77-P80 WeakPolarHBondContact O-CG 3.35Å; P80-T83 WeakPolarHBondContact O-CB 3.41Å; P80-T83 PolarHBondContact O-N 2.84Å; P80-I84 VanDerWaalsContact O-CG1 3.31Å; P80-I84 WeakPolarHBondContact O-CG1 3.29Å; P80-I84 PolarHBondContact O-N 3.22Å; P80-L119 HydrophobicContact CB-CD1 4.28Å; P80-L119 HydrophobicContact CB-CD2 4.39Å; P80-L119 HydrophobicContact CB-CG 3.98Å; P80-L119 HydrophobicContact CG-CD1 4.31Å; P80-L119 HydrophobicContact CG-CD2 3.61Å; P80-L119 HydrophobicContact CG-CG 3.74Å
81L88.6Confident82.7Confident94 Ų9460.7 Ų60.749%0.49233%0.327SS..Hα-helixtrans-61.3-47.2174.5-75.4172.4000112.2L77 R78 T83 I84 Q85 L119L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CD1 3.13Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.1Å; L77-L81 PolarHBondContact O-N 3.4Å; R78-L81 PolarHBondContact O-N 3.12Å; L81-T83 VanDerWaalsContact C-N 3.26Å; L81-T83 PolarHBondContact O-N 2.85Å; L81-I84 PolarHBondContact O-N 2.95Å; L81-Q85 WeakPolarHBondContact O-CB 3.44Å; L81-Q85 PolarHBondContact O-N 3.42Å; L81-L119 HydrophobicContact CD2-CD1 3.78Å; L81-L119 HydrophobicContact CG-CD1 4.03Å
82A90.3Very high83.8Confident37 Ų3763.5 Ų63.531%0.30633%0.33SS..Hα-helixtrans-62.8-34.6174.600000111.7R78 T79 N86R78-A82 VanDerWaalsContact O-CB 3.24Å; R78-A82 WeakPolarHBondContact O-CB 3.47Å; R78-A82 PolarHBondContact O-N 3.31Å; T79-A82 PolarHBondContact O-N 3.22Å; A82-N86 VanDerWaalsContact O-CB 3.28Å; A82-N86 WeakPolarHBondContact O-CB 3.35Å; A82-N86 PolarHBondContact O-N 2.98Å; A82-N86 PolarHBondContact O-ND2 3.38Å; A82-N86 PolarHBondContact O-OD1 2.83Å
83T88.9Confident85.2Confident44 Ų4463.1 Ų63.127%0.2733%0.327SS..Hα-helixtrans-65.4-43.9174.3-57.50000111T79 P80 L81 N87 S115T79-T83 PolarHBondContact O-N 3.02Å; T79-T83 PolarHBondContact O-OG1 3.42Å; P80-T83 WeakPolarHBondContact O-CB 3.41Å; P80-T83 PolarHBondContact O-N 2.84Å; L81-T83 VanDerWaalsContact C-N 3.26Å; L81-T83 PolarHBondContact O-N 2.85Å; T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 2.87Å; T83-N87 VanDerWaalsContact O-N 3.1Å; T83-N87 PolarHBondContact O-ND2 2.84Å; T83-S115 WeakPolarHBondContact CG2-OG 3.48Å
84I92.3Very high86.4Confident27 Ų2765.7 Ų65.714%0.13834%0.336CS..Hα-helixtrans-60.6-52.2175.8-68.1163.1000109.6P80 L81 N86 N87 L88 I112 I116 L119P80-I84 VanDerWaalsContact O-CG1 3.31Å; P80-I84 WeakPolarHBondContact O-CG1 3.29Å; P80-I84 PolarHBondContact O-N 3.22Å; L81-I84 PolarHBondContact O-N 2.95Å; I84-N86 PolarHBondContact O-N 3.15Å; I84-N87 PolarHBondContact O-N 3.25Å; I84-L88 HydrophobicContact CG2-CD1 3.77Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 2.9Å; I84-I112 HydrophobicContact CG1-CG2 4.4Å; I84-I112 HydrophobicContact CG2-CG2 4.29Å; I84-I116 HydrophobicContact CD1-CG1 3.72Å; I84-I116 HydrophobicContact CG1-CG1 4.39Å; I84-L119 HydrophobicContact CD1-CD1 3.81Å
85Q93.5Very high87.2Confident112 Ų11270.7 Ų70.752%0.52335%0.347SS..Hα-helixtrans-56.9-53-179.5-175.5177.8-9.200111.7L81 N87 L88 E89L81-Q85 WeakPolarHBondContact O-CB 3.44Å; L81-Q85 PolarHBondContact O-N 3.42Å; Q85-N87 VanDerWaalsContact C-N 3.31Å; Q85-N87 PolarHBondContact O-N 3.4Å; Q85-L88 PolarHBondContact O-N 3.5Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; Q85-E89 HydrophobicContact CG-CG 4.47Å; Q85-E89 VanDerWaalsContact CG-OE1 3.32Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.42Å; Q85-E89 PolarHBondContact NE2-OE1 3.47Å; Q85-E89 WeakPolarHBondContact O-CG 3.42Å; Q85-E89 PolarHBondContact O-N 3.29Å
86N93.6Very high88.2Confident95 Ų9573.3 Ų73.351%0.50836%0.359SS..Hα-helixtrans-61.9-36-178.6-69.5-5.9000113A82 I84 L90A82-N86 VanDerWaalsContact O-CB 3.28Å; A82-N86 WeakPolarHBondContact O-CB 3.35Å; A82-N86 PolarHBondContact O-N 2.98Å; A82-N86 PolarHBondContact O-ND2 3.38Å; A82-N86 PolarHBondContact O-OD1 2.83Å; I84-N86 PolarHBondContact O-N 3.15Å; N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.46Å; N86-L90 PolarHBondContact O-N 3.18Å
87N92.8Very high89.3Confident12 Ų1278.7 Ų78.76%0.06438%0.383CS..Hα-helixtrans-77.1-29.4178.6-75.3-87.3000111.8T83 I84 Q85 L91 K111 I112T83-N87 WeakPolarHBondContact O-CB 3.44Å; T83-N87 PolarHBondContact O-N 2.87Å; T83-N87 VanDerWaalsContact O-N 3.1Å; T83-N87 PolarHBondContact O-ND2 2.84Å; I84-N87 PolarHBondContact O-N 3.25Å; Q85-N87 VanDerWaalsContact C-N 3.31Å; Q85-N87 PolarHBondContact O-N 3.4Å; N87-L91 WeakPolarHBondContact O-CB 3.44Å; N87-L91 WeakPolarHBondContact O-CG 3.25Å; N87-L91 PolarHBondContact O-N 2.91Å; N87-K111 WeakPolarHBondContact OD1-CD 2.96Å; N87-I112 HydrophobicContact CB-CD1 3.89Å; N87-I112 HydrophobicContact CB-CG1 3.71Å
88L93.9Very high89.8Confident80 Ų8083.6 Ų83.642%0.41941%0.41SS..Hα-helixtrans-67.8-48.1170.6-71.7172.3000110.9I84 Q85 L90 L91 E92 I112I84-L88 HydrophobicContact CG2-CD1 3.77Å; I84-L88 HydrophobicContact CG2-CG 4.39Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 2.9Å; Q85-L88 PolarHBondContact O-N 3.5Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; L88-L90 VanDerWaalsContact C-N 3.25Å; L88-L90 PolarHBondContact O-N 3.42Å; L88-L91 WeakPolarHBondContact O-CB 3.35Å; L88-L91 PolarHBondContact O-N 2.9Å; L88-E92 WeakPolarHBondContact O-CG 3.49Å; L88-E92 PolarHBondContact O-N 3.14Å; L88-I112 HydrophobicContact CD2-CD1 3.69Å; L88-I112 HydrophobicContact CG-CD1 3.87Å
89E93.7Very high90.2Very high94 Ų9478.8 Ų78.844%0.43940%0.4SS..Hα-helixtrans-57.5-38.7175.1-71.3173-172.400111.6Q85 E92 A93Q85-E89 HydrophobicContact CG-CG 4.47Å; Q85-E89 VanDerWaalsContact CG-OE1 3.32Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.42Å; Q85-E89 PolarHBondContact NE2-OE1 3.47Å; Q85-E89 WeakPolarHBondContact O-CG 3.42Å; Q85-E89 PolarHBondContact O-N 3.29Å; E89-E92 PolarHBondContact O-N 3.44Å; E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 3.25Å
90L92.1Very high90.9Very high63 Ų6379.3 Ų79.333%0.3340%0.401SS..Hα-helixtrans-66.4-40.5175.6-173.766.8000112.5N86 L88 A93 Y94N86-L90 VanDerWaalsContact O-CB 3.3Å; N86-L90 WeakPolarHBondContact O-CB 3.46Å; N86-L90 PolarHBondContact O-N 3.18Å; L88-L90 VanDerWaalsContact C-N 3.25Å; L88-L90 PolarHBondContact O-N 3.42Å; L90-A93 PolarHBondContact O-N 2.94Å; L90-Y94 HydrophobicContact CD1-CD2 4.44Å; L90-Y94 HydrophobicContact CD1-CE1 4.06Å; L90-Y94 HydrophobicContact CD1-CE2 3.8Å; L90-Y94 HydrophobicContact CD2-CE2 3.79Å; L90-Y94 HydrophobicContact CG-CD2 3.99Å; L90-Y94 HydrophobicContact CG-CE2 3.46Å; L90-Y94 VanDerWaalsContact CG-CE2 3.46Å; L90-Y94 WeakPolarHBondContact O-CB 3.32Å; L90-Y94 VanDerWaalsContact O-CD2 3.3Å; L90-Y94 WeakPolarHBondContact O-CD2 3.45Å; L90-Y94 VanDerWaalsContact O-CG 3.29Å; L90-Y94 PolarHBondContact O-N 3.34Å
91L93Very high91.2Very high24 Ų2481.6 Ų81.613%0.12642%0.417CS..Hα-helixtrans-66.3-40.9176.4-75.5172000111.6N87 L88 Y94 Y95 L100 F105 I112N87-L91 WeakPolarHBondContact O-CB 3.44Å; N87-L91 WeakPolarHBondContact O-CG 3.25Å; N87-L91 PolarHBondContact O-N 2.91Å; L88-L91 WeakPolarHBondContact O-CB 3.35Å; L88-L91 PolarHBondContact O-N 2.9Å; L91-Y94 PolarHBondContact O-N 3.07Å; L91-Y95 WeakPolarHBondContact O-CB 3.42Å; L91-Y95 PolarHBondContact O-N 2.99Å; L91-L100 HydrophobicContact CD2-CD1 3.67Å; L91-F105 HydrophobicContact CD2-CB 4.48Å; L91-F105 HydrophobicContact CD2-CD2 3.94Å; L91-I112 HydrophobicContact CD1-CD1 3.95Å
92E92.3Very high91.3Very high121 Ų12182.5 Ų82.557%0.56543%0.429SS*.Hα-helixtrans-60.4-48.7174.1-72.1175166.600110.8L88 E89 Y94 Y95 E96L88-E92 WeakPolarHBondContact O-CG 3.49Å; L88-E92 PolarHBondContact O-N 3.14Å; E89-E92 PolarHBondContact O-N 3.44Å; E92-Y94 PolarHBondContact O-N 3.24Å; E92-Y95 WeakPolarHBondContact O-CB 3.37Å; E92-Y95 PolarHBondContact O-N 2.88Å; E92-Y95 VanDerWaalsContact O-N 3.16Å; E92-E96 WeakPolarHBondContact O-CG 3.37Å; E92-E96 PolarHBondContact O-N 3.39Å
93A91.4Very high91.3Very high33 Ų3388.3 Ų88.327%0.27345%0.449SS..Hα-helixtrans-61.6-40.4178.100000113.1E89 L90 Y95 Q97E89-A93 WeakPolarHBondContact O-CB 3.2Å; E89-A93 PolarHBondContact O-N 3.25Å; L90-A93 PolarHBondContact O-N 2.94Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 VanDerWaalsContact O-CG 3.3Å; A93-Q97 WeakPolarHBondContact O-CG 3.42Å; A93-Q97 PolarHBondContact O-N 2.84Å
94Y91.5Very high91.3Very high75 Ų7587.1 Ų87.129%0.29444%0.444SS..Hα-helixtrans-67.8-34.6175.6-71.5-29.4000112.9L90 L91 E92 D98 C99 L100 A104L90-Y94 HydrophobicContact CD1-CD2 4.44Å; L90-Y94 HydrophobicContact CD1-CE1 4.06Å; L90-Y94 HydrophobicContact CD1-CE2 3.8Å; L90-Y94 HydrophobicContact CD2-CE2 3.79Å; L90-Y94 HydrophobicContact CG-CD2 3.99Å; L90-Y94 HydrophobicContact CG-CE2 3.46Å; L90-Y94 VanDerWaalsContact CG-CE2 3.46Å; L90-Y94 WeakPolarHBondContact O-CB 3.32Å; L90-Y94 VanDerWaalsContact O-CD2 3.3Å; L90-Y94 WeakPolarHBondContact O-CD2 3.45Å; L90-Y94 VanDerWaalsContact O-CG 3.29Å; L90-Y94 PolarHBondContact O-N 3.34Å; L91-Y94 PolarHBondContact O-N 3.07Å; E92-Y94 PolarHBondContact O-N 3.24Å; Y94-D98 PolarHBondContact O-N 3.14Å; Y94-C99 PolarHBondContact O-N 3.46Å; Y94-L100 HydrophobicContact CD2-CD1 4.16Å; Y94-L100 HydrophobicContact CG-CD1 4.43Å; Y94-L100 PolarHBondContact O-N 3.2Å; Y94-L100 VanDerWaalsContact O-N 3.09Å; Y94-A104 HydrophobicContact CD2-CB 4.04Å; Y94-A104 HydrophobicContact CE2-CB 3.91Å
95Y90Very high91.4Very high169 Ų16991.1 Ų91.166%0.66346%0.461SS*.Hα-helixtrans-69.8-44.2176.1-176.4-96.5000111.6L91 E92 A93 Q97 D98 L100L91-Y95 WeakPolarHBondContact O-CB 3.42Å; L91-Y95 PolarHBondContact O-N 2.99Å; E92-Y95 WeakPolarHBondContact O-CB 3.37Å; E92-Y95 PolarHBondContact O-N 2.88Å; E92-Y95 VanDerWaalsContact O-N 3.16Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.31Å; Y95-D98 PolarHBondContact O-N 3.02Å; Y95-L100 HydrophobicContact CD2-CD2 4.34Å
96E91.4Very high91.3Very high160 Ų16090.7 Ų90.775%0.74846%0.462SS*.Hα-helixtrans-64-29.4177.7-73.2-178.2172.600113.7E92E92-E96 WeakPolarHBondContact O-CG 3.37Å; E92-E96 PolarHBondContact O-N 3.39Å
97Q90.8Very high91.1Very high140 Ų14092.4 Ų92.465%0.65447%0.465SS*.THydrogen-bonded Turntrans-93.98-178.7-66.6175.617.500113.6A93 Y95 C99A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 VanDerWaalsContact O-CG 3.3Å; A93-Q97 WeakPolarHBondContact O-CG 3.42Å; A93-Q97 PolarHBondContact O-N 2.84Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.31Å; Q97-C99 HydrophobicContact CB-CB 4.48Å; Q97-C99 PolarHBondContact O-N 3.13Å; Q97-C99 VanDerWaalsContact O-N 3.09Å
98D86.7Confident91Very high162 Ų16292 Ų9287%0.86646%0.463SS*.THydrogen-bonded Turntrans50.231.7-174.4-83-32.2000113.3Y94 Y95Y94-D98 PolarHBondContact O-N 3.14Å; Y95-D98 PolarHBondContact O-N 3.02Å
99C89.4Confident90.9Very high61 Ų6189.6 Ų89.641%0.41246%0.455SS..  trans-118.412-176.871.60000113.4Y94 Q97 S101Y94-C99 PolarHBondContact O-N 3.46Å; Q97-C99 HydrophobicContact CB-CB 4.48Å; Q97-C99 PolarHBondContact O-N 3.13Å; Q97-C99 VanDerWaalsContact O-N 3.09Å; C99-S101 PolarHBondContact O-N 3.01Å
100L90Very high90.7Very high60 Ų6088 Ų8831%0.31445%0.451SS..  trans-7094.8176.3-174.665.2000111.2L91 Y94 Y95 F105L91-L100 HydrophobicContact CD2-CD1 3.67Å; Y94-L100 HydrophobicContact CD2-CD1 4.16Å; Y94-L100 HydrophobicContact CG-CD1 4.43Å; Y94-L100 PolarHBondContact O-N 3.2Å; Y94-L100 VanDerWaalsContact O-N 3.09Å; Y95-L100 HydrophobicContact CD2-CD2 4.34Å; L100-F105 HydrophobicContact CD1-CB 4.16Å; L100-F105 HydrophobicContact CD2-CD2 4.35Å; L100-F105 HydrophobicContact CG-CB 4.5Å
101S90.2Very high90.6Very high50 Ų5089.2 Ų89.235%0.3545%0.454SS..  trans-75.1151.917176.50000111.4C99 E103 A104 F105C99-S101 PolarHBondContact O-N 3.01Å; S101-E103 PolarHBondContact O-N 3.19Å; S101-A104 PolarHBondContact O-N 3.49Å; S101-A104 VanDerWaalsContact O-N 3.14Å; S101-A104 WeakPolarHBondContact OG-CB 3.46Å; S101-A104 PolarHBondContact OG-N 3.46Å; S101-A104 VanDerWaalsContact OG-N 3.08Å; S101-F105 PolarHBondContact O-N 3.19Å
102P90.7Very high90.4Very high114 Ų11489.1 Ų89.174%0.7445%0.453SS*.Hα-helixtrans-54.9-35.1172.8-27.435.3000113.3F105 D106P102-F105 PolarHBondContact O-N 2.86Å; P102-D106 WeakPolarHBondContact O-CB 3.5Å; P102-D106 PolarHBondContact O-N 3.38Å
103E90.1Very high90.3Very high158 Ų15890 Ų9074%0.73846%0.455SS*.Hα-helixtrans-68.4-42.3177.5-171.1-173168.300112.1S101 F105 D106 K107S101-E103 PolarHBondContact O-N 3.19Å; E103-F105 VanDerWaalsContact C-N 3.33Å; E103-D106 PolarHBondContact O-N 2.89Å; E103-K107 VanDerWaalsContact O-CB 3.31Å; E103-K107 WeakPolarHBondContact O-CB 3.47Å; E103-K107 PolarHBondContact O-N 2.82Å
104A88.6Confident89.8Confident19 Ų1992.7 Ų92.716%0.15747%0.465CS..Hα-helixtrans-64.4-40.8176.100000111.2Y94 S101 S108Y94-A104 HydrophobicContact CD2-CB 4.04Å; Y94-A104 HydrophobicContact CE2-CB 3.91Å; S101-A104 PolarHBondContact O-N 3.49Å; S101-A104 VanDerWaalsContact O-N 3.14Å; S101-A104 WeakPolarHBondContact OG-CB 3.46Å; S101-A104 PolarHBondContact OG-N 3.46Å; S101-A104 VanDerWaalsContact OG-N 3.08Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.26Å; A104-S108 VanDerWaalsContact O-N 3.12Å; A104-S108 PolarHBondContact O-OG 3.46Å
105F93Very high89.5Confident111 Ų11189.7 Ų89.749%0.48746%0.455SS..Hα-helixtrans-59.5-54.1174.2-178.5-92.2000111.6L91 L100 S101 P102 E103 K107 S108 A109L91-F105 HydrophobicContact CD2-CB 4.48Å; L91-F105 HydrophobicContact CD2-CD2 3.94Å; L100-F105 HydrophobicContact CD1-CB 4.16Å; L100-F105 HydrophobicContact CD2-CD2 4.35Å; L100-F105 HydrophobicContact CG-CB 4.5Å; S101-F105 PolarHBondContact O-N 3.19Å; P102-F105 PolarHBondContact O-N 2.86Å; E103-F105 VanDerWaalsContact C-N 3.33Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 2.9Å; F105-S108 PolarHBondContact O-N 3.39Å; F105-A109 HydrophobicContact CD1-CB 4.44Å; F105-A109 HydrophobicContact CE1-CB 4.16Å; F105-A109 HydrophobicContact CZ-CB 4.49Å; F105-A109 VanDerWaalsContact O-CB 3.23Å; F105-A109 WeakPolarHBondContact O-CB 3.39Å; F105-A109 PolarHBondContact O-N 3.48Å
106D91.5Very high89.4Confident103 Ų10385.6 Ų85.655%0.55144%0.444SS*.Hα-helixtrans-61.6-40.1-176.2-170.348.1000112.1P102 E103 T110P102-D106 WeakPolarHBondContact O-CB 3.5Å; P102-D106 PolarHBondContact O-N 3.38Å; E103-D106 PolarHBondContact O-N 2.89Å; D106-T110 WeakPolarHBondContact O-CB 3.45Å; D106-T110 PolarHBondContact O-N 2.89Å; D106-T110 PolarHBondContact O-OG1 3.15Å
107K90.4Very high88.9Confident131 Ų13182.2 Ų82.257%0.5743%0.43SS*.Hα-helixtrans-63-46176.3-173.4176.8-175.2174.80112.6E103 F105 K111E103-K107 VanDerWaalsContact O-CB 3.31Å; E103-K107 WeakPolarHBondContact O-CB 3.47Å; E103-K107 PolarHBondContact O-N 2.82Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 2.9Å; K107-K111 WeakPolarHBondContact O-CG 3.35Å; K107-K111 PolarHBondContact O-N 3.11Å
108S90.7Very high88Confident3 Ų378.1 Ų78.12%0.02141%0.409CS..Hα-helixtrans-70.4-44.1178.8-69.20000111.6A104 F105 T110 K111 I112A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.26Å; A104-S108 VanDerWaalsContact O-N 3.12Å; A104-S108 PolarHBondContact O-OG 3.46Å; F105-S108 PolarHBondContact O-N 3.39Å; S108-T110 VanDerWaalsContact C-N 3.33Å; S108-T110 PolarHBondContact O-N 2.89Å; S108-K111 PolarHBondContact O-N 2.87Å; S108-I112 WeakPolarHBondContact O-CG1 3.29Å; S108-I112 PolarHBondContact O-N 3.15Å
109A91.7Very high87.7Confident30 Ų3072 Ų7225%0.24838%0.376CS..Hα-helixtrans-59.7-42.7176.400000111.6F105 K111 I112 K113F105-A109 HydrophobicContact CD1-CB 4.44Å; F105-A109 HydrophobicContact CE1-CB 4.16Å; F105-A109 HydrophobicContact CZ-CB 4.49Å; F105-A109 VanDerWaalsContact O-CB 3.23Å; F105-A109 WeakPolarHBondContact O-CB 3.39Å; F105-A109 PolarHBondContact O-N 3.48Å; A109-K111 PolarHBondContact O-N 3.13Å; A109-I112 PolarHBondContact O-N 3.17Å; A109-K113 VanDerWaalsContact O-CB 3.3Å; A109-K113 WeakPolarHBondContact O-CB 3.08Å; A109-K113 PolarHBondContact O-N 3.15Å
110T90.5Very high87.1Confident60 Ų6071.8 Ų71.837%0.36838%0.375SS..Hα-helixtrans-60.7-44.6175-65.50000111.6D106 S108 K113 N114D106-T110 WeakPolarHBondContact O-CB 3.45Å; D106-T110 PolarHBondContact O-N 2.89Å; D106-T110 PolarHBondContact O-OG1 3.15Å; S108-T110 VanDerWaalsContact C-N 3.33Å; S108-T110 PolarHBondContact O-N 2.89Å; T110-K113 PolarHBondContact O-N 3.18Å; T110-N114 WeakPolarHBondContact O-CB 3.36Å; T110-N114 PolarHBondContact O-N 3.11Å; T110-N114 PolarHBondContact O-ND2 3.4Å; T110-N114 PolarHBondContact O-OD1 2.83Å
111K87.9Confident86Confident89 Ų8971 Ų7139%0.38737%0.374SS..Hα-helixtrans-64.2-40.4176.7-74.5172.4175.6-178.90113.1N87 K107 S108 A109 S115N87-K111 WeakPolarHBondContact OD1-CD 2.96Å; K107-K111 WeakPolarHBondContact O-CG 3.35Å; K107-K111 PolarHBondContact O-N 3.11Å; S108-K111 PolarHBondContact O-N 2.87Å; A109-K111 PolarHBondContact O-N 3.13Å; K111-S115 WeakPolarHBondContact O-CB 3.31Å; K111-S115 PolarHBondContact O-N 3.18Å; K111-S115 PolarHBondContact O-OG 2.86Å
112I90.4Very high85.1Confident22 Ų2269 Ų6911%0.11336%0.359CS..Hα-helixtrans-63.6-51.7175.7-69.6163.5000109.5I84 N87 L88 L91 S108 A109 N114 S115 I116I84-I112 HydrophobicContact CG1-CG2 4.4Å; I84-I112 HydrophobicContact CG2-CG2 4.29Å; N87-I112 HydrophobicContact CB-CD1 3.89Å; N87-I112 HydrophobicContact CB-CG1 3.71Å; L88-I112 HydrophobicContact CD2-CD1 3.69Å; L88-I112 HydrophobicContact CG-CD1 3.87Å; L91-I112 HydrophobicContact CD1-CD1 3.95Å; S108-I112 WeakPolarHBondContact O-CG1 3.29Å; S108-I112 PolarHBondContact O-N 3.15Å; A109-I112 PolarHBondContact O-N 3.17Å; I112-N114 VanDerWaalsContact C-N 3.34Å; I112-N114 PolarHBondContact O-N 3.44Å; I112-S115 WeakPolarHBondContact O-CB 3.36Å; I112-S115 PolarHBondContact O-N 2.87Å; I112-S115 VanDerWaalsContact O-N 3.09Å; I112-I116 HydrophobicContact CG2-CD1 3.77Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.32Å; I112-I116 PolarHBondContact O-N 2.98Å
113K89.3Confident84.2Confident139 Ų13966.5 Ų66.560%0.60434%0.344SS*.Hα-helixtrans-56.2-47.5179-176.6179.2178.2-177.80111.7A109 T110 S115 I116 I117A109-K113 VanDerWaalsContact O-CB 3.3Å; A109-K113 WeakPolarHBondContact O-CB 3.08Å; A109-K113 PolarHBondContact O-N 3.15Å; T110-K113 PolarHBondContact O-N 3.18Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.49Å; K113-I116 PolarHBondContact O-N 2.82Å; K113-I117 HydrophobicContact CG-CD1 3.96Å; K113-I117 WeakPolarHBondContact O-CG1 2.87Å; K113-I117 PolarHBondContact O-N 3.46Å
114N82.2Confident83.2Confident91 Ų9164.5 Ų64.549%0.48734%0.335SS..Hα-helixtrans-62.7-38.9177.9-69.1-12.7000112T110 I112 R118T110-N114 WeakPolarHBondContact O-CB 3.36Å; T110-N114 PolarHBondContact O-N 3.11Å; T110-N114 PolarHBondContact O-ND2 3.4Å; T110-N114 PolarHBondContact O-OD1 2.83Å; I112-N114 VanDerWaalsContact C-N 3.34Å; I112-N114 PolarHBondContact O-N 3.44Å; N114-R118 VanDerWaalsContact O-CB 3.22Å; N114-R118 WeakPolarHBondContact O-CB 3.26Å; N114-R118 PolarHBondContact O-N 3.32Å
115S84.6Confident82Confident11 Ų1164.4 Ų64.48%0.07733%0.333CS..Hα-helixtrans-66.9-38175.8-59.60000112.7T83 K111 I112 K113 R118 L119T83-S115 WeakPolarHBondContact CG2-OG 3.48Å; K111-S115 WeakPolarHBondContact O-CB 3.31Å; K111-S115 PolarHBondContact O-N 3.18Å; K111-S115 PolarHBondContact O-OG 2.86Å; I112-S115 WeakPolarHBondContact O-CB 3.36Å; I112-S115 PolarHBondContact O-N 2.87Å; I112-S115 VanDerWaalsContact O-N 3.09Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.49Å; S115-R118 PolarHBondContact O-N 3.49Å; S115-L119 WeakPolarHBondContact O-CG 3.28Å; S115-L119 PolarHBondContact O-N 3.22Å
116I87.8Confident80.9Confident84 Ų8460.7 Ų60.743%0.43132%0.317SS..Hα-helixtrans-66.7-49.2175.5-69.2170.7000110.6I84 I112 K113 R118 L119 S120I84-I116 HydrophobicContact CD1-CG1 3.72Å; I84-I116 HydrophobicContact CG1-CG1 4.39Å; I112-I116 HydrophobicContact CG2-CD1 3.77Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CG1 3.32Å; I112-I116 PolarHBondContact O-N 2.98Å; K113-I116 PolarHBondContact O-N 2.82Å; I116-R118 PolarHBondContact O-N 2.9Å; I116-L119 PolarHBondContact O-N 3.15Å; I116-L119 VanDerWaalsContact O-N 3.07Å; I116-S120 PolarHBondContact O-N 3.13Å; I116-S120 PolarHBondContact O-OG 2.86Å
117I80Confident79.8Confident88 Ų8860.7 Ų60.745%0.45131%0.314SS..Hα-helixtrans-54.5-45.3175.7-69.2166.6000109.6K113 L119 S120 S121K113-I117 HydrophobicContact CG-CD1 3.96Å; K113-I117 WeakPolarHBondContact O-CG1 2.87Å; K113-I117 PolarHBondContact O-N 3.46Å; I117-L119 PolarHBondContact O-N 3.26Å; I117-S120 PolarHBondContact O-N 2.85Å; I117-S121 PolarHBondContact O-N 2.91Å; I117-S121 PolarHBondContact O-OG 2.74Å; I117-S121 VanDerWaalsContact O-OG 3.14Å
118R71.7Confident78.7Confident55 Ų5558.5 Ų58.521%0.20831%0.306CS..Hα-helixtrans-60.1-41.9177.6179.8169.9-178.1178.1-1112.9N114 S115 I116 F122 K239 F243N114-R118 VanDerWaalsContact O-CB 3.22Å; N114-R118 WeakPolarHBondContact O-CB 3.26Å; N114-R118 PolarHBondContact O-N 3.32Å; S115-R118 PolarHBondContact O-N 3.49Å; I116-R118 PolarHBondContact O-N 2.9Å; R118-F122 WeakPolarHBondContact O-CB 3.43Å; R118-F122 PolarHBondContact O-N 3.49Å; R118-F122 VanDerWaalsContact O-N 3.15Å; R118-K239 PolarHBondContact NH1-O 2.86Å; R118-F243 HydrophobicContact CG-CD2 3.89Å; R118-F243 HydrophobicContact CG-CE2 3.34Å; R118-F243 HydrophobicContact CG-CZ 4.26Å; R118-F243 WeakPolarHBondContact O-CE2 3.44Å
119L80.7Confident77.6Confident33 Ų3360.2 Ų60.217%0.17331%0.314CS..Hα-helixtrans-67.1-41.4175.6-78.9170000112.4L77 P80 L81 I84 S115 I116 I117 F122 S123L77-L119 HydrophobicContact CD2-CD2 3.41Å; L77-L119 VanDerWaalsContact CD2-CD2 3.41Å; P80-L119 HydrophobicContact CB-CD1 4.28Å; P80-L119 HydrophobicContact CB-CD2 4.39Å; P80-L119 HydrophobicContact CB-CG 3.98Å; P80-L119 HydrophobicContact CG-CD1 4.31Å; P80-L119 HydrophobicContact CG-CD2 3.61Å; P80-L119 HydrophobicContact CG-CG 3.74Å; L81-L119 HydrophobicContact CD2-CD1 3.78Å; L81-L119 HydrophobicContact CG-CD1 4.03Å; I84-L119 HydrophobicContact CD1-CD1 3.81Å; S115-L119 WeakPolarHBondContact O-CG 3.28Å; S115-L119 PolarHBondContact O-N 3.22Å; I116-L119 PolarHBondContact O-N 3.15Å; I116-L119 VanDerWaalsContact O-N 3.07Å; I117-L119 PolarHBondContact O-N 3.26Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 3.34Å; L119-S123 PolarHBondContact O-N 3.1Å
120S77Confident76.5Confident57 Ų5764.9 Ų64.940%0.39933%0.331SS..Hα-helixtrans-62.5-48.5177.1-65.50000111.6I116 I117 F122 S123 E124I116-S120 PolarHBondContact O-N 3.13Å; I116-S120 PolarHBondContact O-OG 2.86Å; I117-S120 PolarHBondContact O-N 2.85Å; S120-F122 VanDerWaalsContact C-N 3.26Å; S120-F122 PolarHBondContact O-N 3.03Å; S120-S123 WeakPolarHBondContact O-CB 2.99Å; S120-S123 PolarHBondContact O-N 2.97Å; S120-S123 VanDerWaalsContact O-N 3.1Å; S120-E124 WeakPolarHBondContact O-CG 3.41Å; S120-E124 PolarHBondContact O-N 3.38Å
121S67.8Low75.6Confident43 Ų4368.7 Ų68.730%0.30134%0.342SS..Hα-helixtrans-60.5-36.5177-57.80000112.4I117 T125I117-S121 PolarHBondContact O-N 2.91Å; I117-S121 PolarHBondContact O-OG 2.74Å; I117-S121 VanDerWaalsContact O-OG 3.14Å; S121-T125 WeakPolarHBondContact O-CB 3.3Å; S121-T125 PolarHBondContact O-N 3.3Å; S121-T125 PolarHBondContact O-OG1 2.89Å
122F70.4Confident74.7Confident9 Ų964.9 Ų64.94%0.03933%0.326CS..Hα-helixtrans-63.2-46.9173.6176.9-86.5000111.8F73 L77 R118 L119 S120 T125 M126 Y234 F243F73-F122 HydrophobicContact CB-CZ 4.17Å; F73-F122 AromaticContact CD1-CE2 3.78Å; F73-F122 HydrophobicContact CD1-CE2 3.78Å; F73-F122 AromaticContact CD1-CZ 3.51Å; F73-F122 HydrophobicContact CD1-CZ 3.51Å; F73-F122 HydrophobicContact CE1-CE2 4.19Å; F73-F122 HydrophobicContact CE1-CZ 4.11Å; F73-F122 HydrophobicContact CG-CZ 4.14Å; L77-F122 HydrophobicContact CD1-CE1 3.92Å; L77-F122 HydrophobicContact CD1-CZ 4.38Å; L77-F122 HydrophobicContact CD2-CD1 3.46Å; L77-F122 VanDerWaalsContact CD2-CD1 3.46Å; L77-F122 HydrophobicContact CD2-CE1 3.47Å; L77-F122 VanDerWaalsContact CD2-CE1 3.47Å; L77-F122 HydrophobicContact CD2-CG 4.18Å; L77-F122 HydrophobicContact CD2-CZ 4.17Å; L77-F122 HydrophobicContact CG-CD1 4.21Å; L77-F122 HydrophobicContact CG-CE1 3.71Å; L77-F122 HydrophobicContact CG-CZ 4.02Å; R118-F122 WeakPolarHBondContact O-CB 3.43Å; R118-F122 PolarHBondContact O-N 3.49Å; R118-F122 VanDerWaalsContact O-N 3.15Å; L119-F122 WeakPolarHBondContact O-CB 3.44Å; L119-F122 PolarHBondContact O-N 3.34Å; S120-F122 VanDerWaalsContact C-N 3.26Å; S120-F122 PolarHBondContact O-N 3.03Å; F122-T125 PolarHBondContact O-N 3.15Å; F122-M126 HydrophobicContact CD1-CG 4.28Å; F122-M126 HydrophobicContact CE1-CE 3.71Å; F122-M126 HydrophobicContact CE1-CG 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.12Å; F122-M126 HydrophobicContact CZ-CE 3.33Å; F122-M126 HydrophobicContact CZ-CG 4.26Å; F122-M126 WeakPolarHBondContact O-CG 3.24Å; F122-M126 PolarHBondContact O-N 3.34Å; F122-Y234 AromaticContact CD2-CD1 3.54Å; F122-Y234 HydrophobicContact CD2-CD1 3.54Å; F122-Y234 AromaticContact CD2-CE1 3.47Å; F122-Y234 HydrophobicContact CD2-CE1 3.47Å; F122-Y234 VanDerWaalsContact CD2-CE1 3.47Å; F122-Y234 AromaticContact CE2-CD1 3.27Å; F122-Y234 HydrophobicContact CE2-CD1 3.27Å; F122-Y234 AromaticContact CE2-CE1 3.24Å; F122-Y234 HydrophobicContact CE2-CE1 3.24Å; F122-Y234 HydrophobicContact CE2-CG 4.23Å; F122-Y234 HydrophobicContact CG-CE1 4.47Å; F122-Y234 HydrophobicContact CZ-CD1 4.39Å; F122-Y234 HydrophobicContact CZ-CE1 4.09Å; F122-F243 HydrophobicContact CB-CD2 4.12Å; F122-F243 HydrophobicContact CB-CE2 3.76Å; F122-F243 HydrophobicContact CB-CZ 4.27Å; F122-F243 HydrophobicContact CD2-CD1 4.25Å; F122-F243 HydrophobicContact CD2-CD2 4.43Å; F122-F243 AromaticContact CD2-CE1 3.82Å; F122-F243 HydrophobicContact CD2-CE1 3.82Å; F122-F243 AromaticContact CD2-CE2 3.99Å; F122-F243 HydrophobicContact CD2-CE2 3.99Å; F122-F243 AromaticContact CD2-CZ 3.67Å; F122-F243 HydrophobicContact CD2-CZ 3.67Å; F122-F243 HydrophobicContact CE2-CE1 4.35Å; F122-F243 HydrophobicContact CE2-CZ 4.45Å; F122-F243 HydrophobicContact CG-CE2 4.3Å; F122-F243 HydrophobicContact CG-CZ 4.32Å
123S72.5Confident73.6Confident60 Ų6071 Ų7142%0.4236%0.355SS..Hα-helixtrans-62.7-44178.8-1760000112.2L119 S120 T125 M126 Q127L119-S123 PolarHBondContact O-N 3.1Å; S120-S123 WeakPolarHBondContact O-CB 2.99Å; S120-S123 PolarHBondContact O-N 2.97Å; S120-S123 VanDerWaalsContact O-N 3.1Å; S123-T125 VanDerWaalsContact C-N 3.35Å; S123-T125 PolarHBondContact O-N 3.33Å; S123-M126 WeakPolarHBondContact O-CB 3.44Å; S123-M126 PolarHBondContact O-N 2.87Å; S123-Q127 WeakPolarHBondContact O-CG 3.39Å; S123-Q127 PolarHBondContact O-N 2.99Å; S123-Q127 VanDerWaalsContact O-N 3.08Å
124E68.1Low72.7Confident116 Ų11671.2 Ų71.254%0.54236%0.362SS..Hα-helixtrans-61-44.6175.7-74.3169.3-175.100111.5S120 M126 Q127 Q128S120-E124 WeakPolarHBondContact O-CG 3.41Å; S120-E124 PolarHBondContact O-N 3.38Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.85Å; E124-Q127 WeakPolarHBondContact O-CB 3.45Å; E124-Q127 PolarHBondContact O-N 3.04Å; E124-Q128 WeakPolarHBondContact O-CG 3.47Å; E124-Q128 PolarHBondContact O-N 3.17Å
125T64.7Low72.5Confident18 Ų1869.9 Ų69.911%0.1135%0.35CS..Hα-helixtrans-65.2-38.2178.7-52.60000112S121 F122 S123 Q127 Q128 L129 L245 I249S121-T125 WeakPolarHBondContact O-CB 3.3Å; S121-T125 PolarHBondContact O-N 3.3Å; S121-T125 PolarHBondContact O-OG1 2.89Å; F122-T125 PolarHBondContact O-N 3.15Å; S123-T125 VanDerWaalsContact C-N 3.35Å; S123-T125 PolarHBondContact O-N 3.33Å; T125-Q127 VanDerWaalsContact C-N 3.31Å; T125-Q127 PolarHBondContact O-N 3.25Å; T125-Q128 WeakPolarHBondContact O-CB 3.32Å; T125-Q128 PolarHBondContact O-N 3.36Å; T125-Q128 VanDerWaalsContact O-N 3.14Å; T125-L129 PolarHBondContact O-N 3.29Å; T125-L245 HydrophobicContact CG2-CB 3.83Å; T125-L245 HydrophobicContact CG2-CD1 3.39Å; T125-L245 HydrophobicContact CG2-CD2 4.13Å; T125-L245 HydrophobicContact CG2-CG 3.95Å; T125-I249 HydrophobicContact CG2-CD1 3.77Å; T125-I249 HydrophobicContact CG2-CG1 4.19Å
126M68.6Low72.4Confident32 Ų3272.5 Ų72.516%0.15837%0.367CS..Hα-helixtrans-59.5-44.4173.9-84.7-72.5-165.600112.5F73 F122 S123 E124 Q128 L129 Q130 Y234F73-M126 HydrophobicContact CB-CE 4.42Å; F73-M126 HydrophobicContact CD1-CE 3.23Å; F73-M126 HydrophobicContact CD2-CE 3.56Å; F73-M126 HydrophobicContact CE1-CE 2.99Å; F73-M126 HydrophobicContact CE1-SD 4.27Å; F73-M126 HydrophobicContact CE2-CE 3.4Å; F73-M126 HydrophobicContact CE2-SD 4.3Å; F73-M126 HydrophobicContact CG-CE 3.51Å; F73-M126 HydrophobicContact CZ-CE 3.13Å; F73-M126 HydrophobicContact CZ-SD 4.01Å; F122-M126 HydrophobicContact CD1-CG 4.28Å; F122-M126 HydrophobicContact CE1-CE 3.71Å; F122-M126 HydrophobicContact CE1-CG 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.12Å; F122-M126 HydrophobicContact CZ-CE 3.33Å; F122-M126 HydrophobicContact CZ-CG 4.26Å; F122-M126 WeakPolarHBondContact O-CG 3.24Å; F122-M126 PolarHBondContact O-N 3.34Å; S123-M126 WeakPolarHBondContact O-CB 3.44Å; S123-M126 PolarHBondContact O-N 2.87Å; E124-M126 VanDerWaalsContact C-N 3.33Å; E124-M126 PolarHBondContact O-N 2.85Å; M126-Q128 VanDerWaalsContact C-N 3.28Å; M126-Q128 PolarHBondContact O-N 2.81Å; M126-L129 PolarHBondContact O-N 3.14Å; M126-Q130 WeakPolarHBondContact O-CG 3.44Å; M126-Q130 PolarHBondContact O-N 3.24Å; M126-Y234 HydrophobicContact CE-CE1 4.32Å; M126-Y234 WeakPolarHBondContact CE-OH 3.35Å; M126-Y234 PolarHBondContact SD-OH 2.82Å
127Q69.7Low72.3Confident103 Ų10371.5 Ų71.548%0.48136%0.362SS..Hα-helixtrans-63.3-38175.4-69.6-179-4.700111.1S123 E124 T125 K131S123-Q127 WeakPolarHBondContact O-CG 3.39Å; S123-Q127 PolarHBondContact O-N 2.99Å; S123-Q127 VanDerWaalsContact O-N 3.08Å; E124-Q127 WeakPolarHBondContact O-CB 3.45Å; E124-Q127 PolarHBondContact O-N 3.04Å; T125-Q127 VanDerWaalsContact C-N 3.31Å; T125-Q127 PolarHBondContact O-N 3.25Å; Q127-K131 VanDerWaalsContact O-CB 3.31Å; Q127-K131 WeakPolarHBondContact O-CB 3.4Å; Q127-K131 WeakPolarHBondContact O-CD 3.23Å; Q127-K131 WeakPolarHBondContact O-CG 3.25Å; Q127-K131 PolarHBondContact O-N 3.35Å
128Q67.3Low72.8Confident86 Ų8674.4 Ų74.440%0.40237%0.369SS..Hα-helixtrans-63.3-47174.3-72.3173.6-18.800111.6E124 T125 M126 Q130 K131 L132E124-Q128 WeakPolarHBondContact O-CG 3.47Å; E124-Q128 PolarHBondContact O-N 3.17Å; T125-Q128 WeakPolarHBondContact O-CB 3.32Å; T125-Q128 PolarHBondContact O-N 3.36Å; T125-Q128 VanDerWaalsContact O-N 3.14Å; M126-Q128 VanDerWaalsContact C-N 3.28Å; M126-Q128 PolarHBondContact O-N 2.81Å; Q128-Q130 PolarHBondContact O-N 2.92Å; Q128-K131 CarbonylContact O-C 3.58Å; Q128-K131 PolarHBondContact O-N 3.49Å; Q128-L132 WeakPolarHBondContact O-CB 3.45Å; Q128-L132 WeakPolarHBondContact O-CD1 3.46Å; Q128-L132 PolarHBondContact O-N 3.21Å
129L66.6Low73.8Confident38 Ų3873.5 Ų73.520%0.19937%0.366CS..Hα-helixtrans-63.4-42.1-179-165.868.1000111.9T125 M126 L132 E133 A252T125-L129 PolarHBondContact O-N 3.29Å; M126-L129 PolarHBondContact O-N 3.14Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 3.23Å; L129-E133 PolarHBondContact O-N 3.08Å; L129-A252 HydrophobicContact CD1-CB 4.22Å
130Q68.5Low74.4Confident128 Ų12878.3 Ų78.360%0.59839%0.386SS*.Hα-helixtrans-63.5-43.6174-71.6177.816.800111.7M126 Q128 L132 E133M126-Q130 WeakPolarHBondContact O-CG 3.44Å; M126-Q130 PolarHBondContact O-N 3.24Å; Q128-Q130 PolarHBondContact O-N 2.92Å; Q130-L132 PolarHBondContact O-N 2.89Å; Q130-E133 PolarHBondContact O-N 3.47Å
131K71.2Confident75.4Confident140 Ų14080.9 Ų80.961%0.60939%0.393SS*.Hα-helixtrans-64-30.5174.5-74170.3-177.5177.60112.2Q127 Q128 D134 R135Q127-K131 VanDerWaalsContact O-CB 3.31Å; Q127-K131 WeakPolarHBondContact O-CB 3.4Å; Q127-K131 WeakPolarHBondContact O-CD 3.23Å; Q127-K131 WeakPolarHBondContact O-CG 3.25Å; Q127-K131 PolarHBondContact O-N 3.35Å; Q128-K131 CarbonylContact O-C 3.58Å; Q128-K131 PolarHBondContact O-N 3.49Å; K131-D134 CarbonylContact O-C 3.59Å; K131-D134 PolarHBondContact O-N 2.92Å; K131-R135 WeakPolarHBondContact O-CB 3.37Å; K131-R135 PolarHBondContact O-N 3.45Å
132L69.7Low76.7Confident10 Ų1080.4 Ų80.45%0.05239%0.385CS..Hα-helixtrans-65.4-40.4179.2-122.6112.7000111.9Q128 L129 Q130 D134 R135 I249 A252 L253 K256Q128-L132 WeakPolarHBondContact O-CB 3.45Å; Q128-L132 WeakPolarHBondContact O-CD1 3.46Å; Q128-L132 PolarHBondContact O-N 3.21Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 3.23Å; Q130-L132 PolarHBondContact O-N 2.89Å; L132-D134 PolarHBondContact O-N 2.92Å; L132-R135 PolarHBondContact O-N 3.24Å; L132-I249 HydrophobicContact CD1-CG2 4.16Å; L132-A252 HydrophobicContact CD2-CB 3.6Å; L132-L253 HydrophobicContact CD1-CD2 3.83Å; L132-L253 HydrophobicContact CD1-CG 4.27Å; L132-L253 HydrophobicContact CD2-CD2 3.43Å; L132-L253 VanDerWaalsContact CD2-CD2 3.43Å; L132-L253 HydrophobicContact CD2-CG 3.76Å; L132-L253 HydrophobicContact CG-CD2 3.6Å; L132-L253 HydrophobicContact CG-CG 4.3Å; L132-K256 PolarHBondContact O-NZ 3.12Å
133E66.8Low77.9Confident151 Ų15182.5 Ų82.571%0.70640%0.4SS*.Hα-helixtrans-58.5-40.2176.3-71-172.3163.900110.8L129 Q130 K256L129-E133 PolarHBondContact O-N 3.08Å; Q130-E133 PolarHBondContact O-N 3.47Å; E133-K256 PolarHBondContact O-NZ 2.72Å
134D71.6Confident79Confident142 Ų14279.7 Ų79.776%0.75938%0.38SS*.Hα-helixtrans-90-9.5179.3-69.1-32.8000114.5K131 L132 P136K131-D134 CarbonylContact O-C 3.59Å; K131-D134 PolarHBondContact O-N 2.92Å; L132-D134 PolarHBondContact O-N 2.92Å; D134-P136 WeakPolarHBondContact O-CD 3.47Å
135R77.5Confident80.3Confident63 Ų6376.1 Ų76.124%0.23837%0.368CS..PPolyproline II helixtrans-63.4117.9-176.4-177.6174.6177.6176.10.9110.6K131 L132 E183 K256K131-R135 WeakPolarHBondContact O-CB 3.37Å; K131-R135 PolarHBondContact O-N 3.45Å; L132-R135 PolarHBondContact O-N 3.24Å; R135-E183 IonicContact CZ-OE2 2.68Å; R135-E183 IonicContact NH1-OE2 3.42Å; R135-E183 PolarHBondContact NH1-OE2 3.29Å; R135-E183 IonicContact NH2-OE2 2.99Å; R135-K256 WeakPolarHBondContact O-CE 3.44Å; R135-K256 PolarHBondContact O-NZ 3.31Å
136P82.1Confident81.8Confident66 Ų6677.6 Ų77.643%0.42938%0.375SS..PPolyproline II helixtrans-68.3147.3171.626.6-33000110.9D134 Y138D134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-Y138 HydrophobicContact CB-CE1 4.36Å; P136-Y138 HydrophobicContact CB-CE2 4.21Å; P136-Y138 HydrophobicContact CG-CD2 4.38Å; P136-Y138 HydrophobicContact CG-CE1 4.21Å; P136-Y138 HydrophobicContact CG-CE2 3.47Å; P136-Y138 VanDerWaalsContact CG-CE2 3.47Å; P136-Y138 WeakPolarHBondContact CG-OH 3.39Å
137L86.4Confident83Confident63 Ų6376 Ų7633%0.3337%0.368SS..PPolyproline II helixtrans-87.2118.2176.4-170.270.3000109.6K139 D177 L180L137-K139 HydrophobicContact CD2-CD 4.13Å; L137-K139 HydrophobicContact CD2-CG 3.91Å; L137-K139 HydrophobicContact CG-CG 3.9Å; L137-D177 HydrophobicContact CD1-CB 3.68Å; L137-D177 HydrophobicContact CG-CB 4.32Å; L137-L180 HydrophobicContact CD1-CD1 3.6Å
138Y89.9Confident84.2Confident150 Ų15071.8 Ų71.859%0.58835%0.348SS*.  trans-106.669.4-176.8-66.2-66.6000111.4P136 K140 D177P136-Y138 HydrophobicContact CB-CE1 4.36Å; P136-Y138 HydrophobicContact CB-CE2 4.21Å; P136-Y138 HydrophobicContact CG-CD2 4.38Å; P136-Y138 HydrophobicContact CG-CE1 4.21Å; P136-Y138 HydrophobicContact CG-CE2 3.47Å; P136-Y138 VanDerWaalsContact CG-CE2 3.47Å; P136-Y138 WeakPolarHBondContact CG-OH 3.39Å; Y138-K140 PolarHBondContact O-N 3.11Å; Y138-D177 PolarHBondContact N-OD2 3.29Å
139K92.7Very high85.5Confident35 Ų3572.5 Ų72.515%0.15235%0.351CS..  trans-69.3120.9177.9-58.1-167.2-179.4-173.20111.7L137 K175 Y176 D177 L278 D280L137-K139 HydrophobicContact CD2-CD 4.13Å; L137-K139 HydrophobicContact CD2-CG 3.91Å; L137-K139 HydrophobicContact CG-CG 3.9Å; K139-K175 HydrophobicContact CB-CG 3.77Å; K139-Y176 VanDerWaalsContact CA-C 3.47Å; K139-Y176 WeakPolarHBondContact CA-O 3.13Å; K139-D177 HydrophobicContact CG-CB 4.49Å; K139-L278 PolarHBondContact NZ-O 3.02Å; K139-D280 HydrophobicContact CD-CB 4.44Å; K139-D280 WeakPolarHBondContact CD-OD1 3.33Å; K139-D280 WeakPolarHBondContact CD-OD2 3.4Å; K139-D280 IonicContact NZ-OD1 3.63Å; K139-D280 PolarHBondContact NZ-OD1 3.29Å
140K93.8Very high86.8Confident135 Ų13572.2 Ų72.259%0.58735%0.349SS*.EExtended strand (participates in β ladder)trans-119.4151.4176.3-67.5175.8-173.3165.70110.5Y138 Q142 K175 Y176Y138-K140 PolarHBondContact O-N 3.11Å; K140-Q142 PolarHBondContact O-N 3.36Å; K140-Q142 PolarHBondContact O-NE2 3.43Å; K140-K175 WeakPolarHBondContact O-CA 3.39Å; K140-Y176 PolarHBondContact N-O 3.06Å; K140-Y176 PolarHBondContact O-N 2.95Å
141M96.5Very high88.1Confident111 Ų11166.1 Ų66.155%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-79.6108.1-179.7-160.437.3-91.800109T173 A174 K175M141-T173 WeakPolarHBondContact CE-O 3.46Å; M141-T173 WeakPolarHBondContact CE-OG1 3.3Å; M141-A174 VanDerWaalsContact CE-CA 3.48Å; M141-A174 VanDerWaalsContact CE-O 3.26Å; M141-A174 WeakPolarHBondContact CE-O 3.42Å; M141-A174 VanDerWaalsContact SD-C 3.51Å; M141-K175 HydrophobicContact SD-CB 3.97Å
142Q96.5Very high89.1Confident32 Ų3264.9 Ų64.915%0.1531%0.312CS..EExtended strand (participates in β ladder)trans-152.6162.2-173.563-162-42.500113.1K140 L146 T173 A174 Y176K140-Q142 PolarHBondContact O-N 3.36Å; K140-Q142 PolarHBondContact O-NE2 3.43Å; Q142-L146 HydrophobicContact CB-CD1 3.97Å; Q142-L146 HydrophobicContact CG-CD1 4.22Å; Q142-T173 CarbonylContact O-C 3.56Å; Q142-T173 VanDerWaalsContact O-CA 3.28Å; Q142-T173 WeakPolarHBondContact O-CA 3.42Å; Q142-A174 PolarHBondContact N-O 3.09Å; Q142-A174 VanDerWaalsContact N-O 3.11Å; Q142-A174 PolarHBondContact O-N 2.96Å; Q142-Y176 HydrophobicContact CG-CD1 4.2Å; Q142-Y176 HydrophobicContact CG-CE1 3.49Å; Q142-Y176 VanDerWaalsContact CG-CE1 3.49Å; Q142-Y176 HydrophobicContact CG-CE2 4.16Å; Q142-Y176 VanDerWaalsContact CG-CZ 3.49Å; Q142-Y176 PolarHBondContact NE2-O 2.92Å
143P96.2Very high90.2Very high53 Ų5369.5 Ų69.534%0.34433%0.333SS..EExtended strand (participates in β ladder)trans-69.9136.4179.2-17.231.5000113.2S145 L146 T173 Y176P143-S145 PolarHBondContact O-N 3.35Å; P143-S145 VanDerWaalsContact O-N 3.11Å; P143-L146 WeakPolarHBondContact O-CG 3.45Å; P143-L146 PolarHBondContact O-N 3.01Å; P143-T173 HydrophobicContact CB-CG2 4.29Å; P143-T173 HydrophobicContact CG-CG2 4.12Å; P143-Y176 PolarHBondContact O-OH 3.38Å
144L94.6Very high91.3Very high1 Ų163 Ų631%0.00530%0.303CS..THydrogen-bonded Turntrans-61.3-20.9175.3-74.7-176.6000113.7L146 I147 Y169 I172 A174 Y176 L206 V211 L279L144-L146 PolarHBondContact O-N 3.29Å; L144-L146 VanDerWaalsContact O-N 3.15Å; L144-I147 HydrophobicContact CD2-CD1 4.07Å; L144-I147 PolarHBondContact O-N 3.2Å; L144-I147 VanDerWaalsContact O-N 3.15Å; L144-Y169 HydrophobicContact CB-CD2 4.04Å; L144-Y169 HydrophobicContact CB-CE2 3.78Å; L144-Y169 HydrophobicContact CD1-CD2 4.1Å; L144-Y169 HydrophobicContact CD1-CG 4.48Å; L144-I172 HydrophobicContact CB-CG2 4.42Å; L144-I172 HydrophobicContact CD1-CG2 3.51Å; L144-I172 HydrophobicContact CG-CG2 3.96Å; L144-I172 PolarHBondContact N-O 3.44Å; L144-I172 VanDerWaalsContact N-O 3.15Å; L144-A174 HydrophobicContact CD2-CB 4.45Å; L144-Y176 HydrophobicContact CD2-CD1 4.13Å; L144-Y176 HydrophobicContact CD2-CE1 3.66Å; L144-L206 HydrophobicContact CD1-CD1 4.41Å; L144-L206 HydrophobicContact CD1-CD2 4.28Å; L144-V211 HydrophobicContact CD1-CG2 3.86Å; L144-V211 HydrophobicContact CD2-CG2 3.77Å; L144-L279 HydrophobicContact CD1-CD1 4.4Å; L144-L279 HydrophobicContact CD2-CD1 4.38Å; L144-L279 HydrophobicContact CD2-CD2 4.29Å
145S95.3Very high92.3Very high42 Ų4258.4 Ų58.429%0.29428%0.278SS..Hα-helixtrans-60.2-22.4176.861.50000113.5P143 I147 E148 E149P143-S145 PolarHBondContact O-N 3.35Å; P143-S145 VanDerWaalsContact O-N 3.11Å; S145-I147 PolarHBondContact O-N 3.39Å; S145-E148 WeakPolarHBondContact O-CB 3.46Å; S145-E148 PolarHBondContact O-N 3.26Å; S145-E149 WeakPolarHBondContact O-CG 3.37Å; S145-E149 PolarHBondContact O-N 2.85Å
146L95.7Very high92.9Very high48 Ų4862.6 Ų62.625%0.25130%0.301SS..Hα-helixtrans-61.9-30.3176.9-65.4178.6000112.7Q142 P143 L144 E148 E149 H150 L178Q142-L146 HydrophobicContact CB-CD1 3.97Å; Q142-L146 HydrophobicContact CG-CD1 4.22Å; P143-L146 WeakPolarHBondContact O-CG 3.45Å; P143-L146 PolarHBondContact O-N 3.01Å; L144-L146 PolarHBondContact O-N 3.29Å; L144-L146 VanDerWaalsContact O-N 3.15Å; L146-E148 VanDerWaalsContact C-N 3.33Å; L146-E149 WeakPolarHBondContact CD2-OE2 3.43Å; L146-E149 PolarHBondContact O-N 3.11Å; L146-H150 PolarHBondContact O-N 2.79Å; L146-H150 VanDerWaalsContact O-N 3.12Å; L146-L178 HydrophobicContact CB-CD1 3.99Å; L146-L178 HydrophobicContact CB-CD2 3.88Å; L146-L178 HydrophobicContact CD1-CD2 3.82Å; L146-L178 HydrophobicContact CG-CD2 4.46Å
147I95.1Very high93.2Very high0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-65.5-41.8175.1-61.5168.9000109.8L144 S145 H150 I151 Y176 L178 I181 V185 I204 V211 I213L144-I147 HydrophobicContact CD2-CD1 4.07Å; L144-I147 PolarHBondContact O-N 3.2Å; L144-I147 VanDerWaalsContact O-N 3.15Å; S145-I147 PolarHBondContact O-N 3.39Å; I147-H150 PolarHBondContact O-N 2.77Å; I147-I151 HydrophobicContact CG2-CD1 4Å; I147-I151 WeakPolarHBondContact O-CD1 3.5Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 3.44Å; I147-Y176 HydrophobicContact CD1-CE2 4.12Å; I147-Y176 HydrophobicContact CG1-CE2 4.19Å; I147-L178 HydrophobicContact CG1-CD1 3.98Å; I147-I181 HydrophobicContact CD1-CD1 4.26Å; I147-I181 HydrophobicContact CD1-CG2 3.97Å; I147-I181 HydrophobicContact CG1-CG2 4.1Å; I147-I181 HydrophobicContact CG2-CG2 4.32Å; I147-V185 HydrophobicContact CG2-CG2 4.31Å; I147-I204 HydrophobicContact CG2-CD1 4.17Å; I147-V211 HydrophobicContact CD1-CG1 4.38Å; I147-I213 HydrophobicContact CG2-CD1 3.77Å
148E94.2Very high93.3Very high13 Ų1367.3 Ų67.36%0.06131%0.312CS..Hα-helixtrans-67.8-41.5177.8-171.9-158.1156.900112.3S145 L146 H150 I151 R152 I165 K167 I204S145-E148 WeakPolarHBondContact O-CB 3.46Å; S145-E148 PolarHBondContact O-N 3.26Å; L146-E148 VanDerWaalsContact C-N 3.33Å; E148-H150 VanDerWaalsContact C-N 3.26Å; E148-H150 PolarHBondContact O-N 3.22Å; E148-I151 PolarHBondContact O-N 2.64Å; E148-R152 WeakPolarHBondContact O-CG 3.45Å; E148-R152 PolarHBondContact O-N 3.45Å; E148-R152 IonicContact OE1-CZ 2.71Å; E148-R152 VanDerWaalsContact OE1-CZ 3.29Å; E148-R152 IonicContact OE1-NE 2.73Å; E148-R152 PolarHBondContact OE1-NE 2.99Å; E148-R152 IonicContact OE1-NH2 3.29Å; E148-R152 PolarHBondContact OE1-NH2 3.29Å; E148-I165 HydrophobicContact CG-CG2 4.1Å; E148-K167 WeakPolarHBondContact OE1-CE 3.36Å; E148-K167 IonicContact OE1-NZ 2.61Å; E148-K167 PolarHBondContact OE1-NZ 3.14Å; E148-K167 WeakPolarHBondContact OE2-CD 3.46Å; E148-K167 WeakPolarHBondContact OE2-CE 3.4Å; E148-K167 IonicContact OE2-NZ 2.85Å; E148-K167 PolarHBondContact OE2-NZ 3.35Å; E148-I204 HydrophobicContact CB-CD1 4.12Å
149E94.4Very high93.1Very high101 Ų10165.8 Ų65.847%0.47232%0.32SS..Hα-helixtrans-55.4-46.2174.8-71.3168.2-145.900110.1S145 L146 R152 E153S145-E149 WeakPolarHBondContact O-CG 3.37Å; S145-E149 PolarHBondContact O-N 2.85Å; L146-E149 WeakPolarHBondContact CD2-OE2 3.43Å; L146-E149 PolarHBondContact O-N 3.11Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-E153 WeakPolarHBondContact O-CG 3.29Å; E149-E153 PolarHBondContact O-N 3.17Å; E149-E153 VanDerWaalsContact O-N 3.08Å
150H94Very high93Very high33 Ų3372.8 Ų72.815%0.15335%0.354CS..Hα-helixtrans-65.2-40.2176.9-170.856.4000113.6L146 I147 E148 R152 E153 I154 N182L146-H150 PolarHBondContact O-N 2.79Å; L146-H150 VanDerWaalsContact O-N 3.12Å; I147-H150 PolarHBondContact O-N 2.77Å; E148-H150 VanDerWaalsContact C-N 3.26Å; E148-H150 PolarHBondContact O-N 3.22Å; H150-R152 VanDerWaalsContact C-N 3.26Å; H150-R152 PolarHBondContact O-N 3.29Å; H150-E153 IonicContact ND1-OE2 3.52Å; H150-E153 PolarHBondContact ND1-OE2 3.31Å; H150-E153 WeakPolarHBondContact O-CB 3.42Å; H150-E153 PolarHBondContact O-N 2.95Å; H150-E153 VanDerWaalsContact O-N 3.13Å; H150-I154 WeakPolarHBondContact O-CG1 3.5Å; H150-I154 PolarHBondContact O-N 3.43Å; H150-N182 VanDerWaalsContact CD2-CB 3.42Å; H150-N182 WeakPolarHBondContact CD2-CB 3.31Å; H150-N182 PolarHBondContact CD2-OD1 3.3Å
151I95Very high92.9Very high0 Ų068.7 Ų68.70%034%0.336CS..Hα-helixtrans-57-42.4174-72.4159.7000110.9I147 E148 E153 I154 D155 L163 I165 V185 L189 I202 I204I147-I151 HydrophobicContact CG2-CD1 4Å; I147-I151 WeakPolarHBondContact O-CD1 3.5Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 3.44Å; E148-I151 PolarHBondContact O-N 2.64Å; I151-E153 VanDerWaalsContact C-N 3.35Å; I151-I154 PolarHBondContact O-N 2.91Å; I151-D155 WeakPolarHBondContact O-CB 3.26Å; I151-D155 PolarHBondContact O-N 3.32Å; I151-L163 HydrophobicContact CG2-CD2 3.69Å; I151-I165 HydrophobicContact CG2-CD1 3.72Å; I151-I165 HydrophobicContact CG2-CG1 4.23Å; I151-V185 HydrophobicContact CD1-CG1 4.28Å; I151-V185 HydrophobicContact CG1-CG1 3.5Å; I151-L189 HydrophobicContact CB-CD1 4.45Å; I151-L189 HydrophobicContact CG1-CD1 4.25Å; I151-L189 HydrophobicContact CG2-CD1 4.16Å; I151-I202 HydrophobicContact CD1-CD1 3.47Å; I151-I202 VanDerWaalsContact CD1-CD1 3.47Å; I151-I202 HydrophobicContact CD1-CG1 4.31Å; I151-I202 HydrophobicContact CG1-CD1 3.89Å; I151-I202 HydrophobicContact CG2-CD1 4.13Å; I151-I202 HydrophobicContact CG2-CG2 4.15Å; I151-I204 HydrophobicContact CD1-CD1 3.6Å; I151-I204 HydrophobicContact CD1-CG1 4.11Å
152R93.9Very high92.8Very high114 Ų11469 Ų6943%0.4334%0.336SS..Hα-helixtrans-68.7-31.5178.1-68.3179.8-174.1-74.8-3.4112.8E148 E149 H150 Q156 I165E148-R152 WeakPolarHBondContact O-CG 3.45Å; E148-R152 PolarHBondContact O-N 3.45Å; E148-R152 IonicContact OE1-CZ 2.71Å; E148-R152 VanDerWaalsContact OE1-CZ 3.29Å; E148-R152 IonicContact OE1-NE 2.73Å; E148-R152 PolarHBondContact OE1-NE 2.99Å; E148-R152 IonicContact OE1-NH2 3.29Å; E148-R152 PolarHBondContact OE1-NH2 3.29Å; E149-R152 PolarHBondContact O-N 2.97Å; H150-R152 VanDerWaalsContact C-N 3.26Å; H150-R152 PolarHBondContact O-N 3.29Å; R152-Q156 WeakPolarHBondContact O-CG 3.46Å; R152-Q156 PolarHBondContact O-N 3.21Å; R152-I165 HydrophobicContact CG-CD1 3.66Å
153E92.2Very high92.8Very high107 Ų10768.5 Ų68.550%0.533%0.334SS..Hα-helixtrans-66.4-42.2173.3-69.7172.3169.700111.5E149 H150 I151 Q156 H157E149-E153 WeakPolarHBondContact O-CG 3.29Å; E149-E153 PolarHBondContact O-N 3.17Å; E149-E153 VanDerWaalsContact O-N 3.08Å; H150-E153 IonicContact ND1-OE2 3.52Å; H150-E153 PolarHBondContact ND1-OE2 3.31Å; H150-E153 WeakPolarHBondContact O-CB 3.42Å; H150-E153 PolarHBondContact O-N 2.95Å; H150-E153 VanDerWaalsContact O-N 3.13Å; I151-E153 VanDerWaalsContact C-N 3.35Å; E153-Q156 PolarHBondContact O-N 3.46Å; E153-H157 PolarHBondContact O-CE1 2.9Å; E153-H157 PolarHBondContact O-ND1 3.42Å
154I89.8Confident92.7Very high15 Ų1569.5 Ų69.58%0.07734%0.336CS..Hα-helixtrans-63.5-45.9176.2-64.6165.6000110.2H150 I151 Q156 H157 Y158 V185 E186 L189 Y193H150-I154 WeakPolarHBondContact O-CG1 3.5Å; H150-I154 PolarHBondContact O-N 3.43Å; I151-I154 PolarHBondContact O-N 2.91Å; I154-Q156 PolarHBondContact O-N 3.14Å; I154-H157 WeakPolarHBondContact O-CB 3.4Å; I154-H157 PolarHBondContact O-N 2.93Å; I154-H157 PolarHBondContact O-ND1 3.33Å; I154-Y158 HydrophobicContact CG2-CD2 4.44Å; I154-Y158 HydrophobicContact CG2-CE2 4.19Å; I154-Y158 WeakPolarHBondContact O-CD2 3.47Å; I154-V185 HydrophobicContact CD1-CG1 4.2Å; I154-E186 HydrophobicContact CD1-CB 4.07Å; I154-E186 HydrophobicContact CD1-CG 4.44Å; I154-L189 HydrophobicContact CB-CD1 4.04Å; I154-L189 HydrophobicContact CD1-CD1 3.83Å; I154-L189 HydrophobicContact CG2-CB 4.15Å; I154-L189 HydrophobicContact CG2-CD1 3.89Å; I154-Y193 HydrophobicContact CG2-CE2 4.37Å
155D92.5Very high92.8Very high45 Ų4571.1 Ų71.124%0.24134%0.344CS..Hα-helixtrans-52.5-37.6179.2-174.847.9000113.7I151 H157 Y158 L163 Y193I151-D155 WeakPolarHBondContact O-CB 3.26Å; I151-D155 PolarHBondContact O-N 3.32Å; D155-H157 PolarHBondContact O-N 2.84Å; D155-Y158 PolarHBondContact O-N 2.79Å; D155-L163 HydrophobicContact CB-CD2 3.66Å; D155-L163 WeakPolarHBondContact OD1-CB 3.48Å; D155-Y193 PolarHBondContact OD1-OH 3.26Å
156Q90.2Very high92.8Very high151 Ų15172.7 Ų72.771%0.70635%0.353SS*.THydrogen-bonded Turntrans-58.5-21.1178-70.6170.921.200114R152 E153 I154R152-Q156 WeakPolarHBondContact O-CG 3.46Å; R152-Q156 PolarHBondContact O-N 3.21Å; E153-Q156 PolarHBondContact O-N 3.46Å; I154-Q156 PolarHBondContact O-N 3.14Å
157H87.7Confident92.8Very high143 Ų14375.7 Ų75.766%0.66236%0.364SS*.THydrogen-bonded Turntrans-85-8178.7-61.581.3000113.3E153 I154 D155 P159E153-H157 PolarHBondContact O-CE1 2.9Å; E153-H157 PolarHBondContact O-ND1 3.42Å; I154-H157 WeakPolarHBondContact O-CB 3.4Å; I154-H157 PolarHBondContact O-N 2.93Å; I154-H157 PolarHBondContact O-ND1 3.33Å; D155-H157 PolarHBondContact O-N 2.84Å; H157-P159 VanDerWaalsContact C-CD 3.46Å; H157-P159 WeakPolarHBondContact O-CD 3.17Å
158Y88.4Confident92.7Very high85 Ų8580.5 Ų80.533%0.33339%0.389SS..  trans-128.159.1-174.3-63.5-81000113.1I154 D155 E160 K161 N190 Y193I154-Y158 HydrophobicContact CG2-CD2 4.44Å; I154-Y158 HydrophobicContact CG2-CE2 4.19Å; I154-Y158 WeakPolarHBondContact O-CD2 3.47Å; D155-Y158 PolarHBondContact O-N 2.79Å; Y158-E160 PolarHBondContact O-N 3.45Å; Y158-K161 PolarHBondContact O-N 3.21Å; Y158-N190 PolarHBondContact OH-OD1 3.46Å; Y158-Y193 VanDerWaalsContact CB-CD1 3.41Å; Y158-Y193 AromaticContact CD1-CD1 3.89Å; Y158-Y193 HydrophobicContact CD1-CD1 3.89Å; Y158-Y193 HydrophobicContact CD1-CD2 4.26Å; Y158-Y193 AromaticContact CD1-CG 3.73Å; Y158-Y193 HydrophobicContact CD1-CG 3.73Å; Y158-Y193 HydrophobicContact CD2-CD1 4.14Å; Y158-Y193 AromaticContact CD2-CD2 3.45Å; Y158-Y193 HydrophobicContact CD2-CD2 3.45Å; Y158-Y193 VanDerWaalsContact CD2-CD2 3.45Å; Y158-Y193 HydrophobicContact CD2-CE1 4.27Å; Y158-Y193 AromaticContact CD2-CE2 3.59Å; Y158-Y193 HydrophobicContact CD2-CE2 3.59Å; Y158-Y193 AromaticContact CD2-CG 3.78Å; Y158-Y193 HydrophobicContact CD2-CG 3.78Å; Y158-Y193 HydrophobicContact CE1-CG 4.16Å; Y158-Y193 AromaticContact CE2-CD2 3.75Å; Y158-Y193 HydrophobicContact CE2-CD2 3.75Å; Y158-Y193 HydrophobicContact CE2-CE2 4.21Å; Y158-Y193 HydrophobicContact CE2-CG 4.19Å; Y158-Y193 AromaticContact CG-CD1 3.55Å; Y158-Y193 HydrophobicContact CG-CD1 3.55Å; Y158-Y193 AromaticContact CG-CD2 3.73Å; Y158-Y193 HydrophobicContact CG-CD2 3.73Å; Y158-Y193 AromaticContact CG-CE1 3.85Å; Y158-Y193 HydrophobicContact CG-CE1 3.85Å; Y158-Y193 HydrophobicContact CG-CE2 4.01Å; Y158-Y193 AromaticContact CG-CG 3.53Å; Y158-Y193 HydrophobicContact CG-CG 3.53Å
159P86Confident92.7Very high117 Ų11781.6 Ų81.676%0.7639%0.393SS*.THydrogen-bonded Turntrans-66-11.3-17229.6-37.8000114.8H157 K161H157-P159 VanDerWaalsContact C-CD 3.46Å; H157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-K161 VanDerWaalsContact C-N 3.34Å
160E90.4Very high92.6Very high183 Ų18380.8 Ų80.886%0.85540%0.396SS*.THydrogen-bonded Turntrans-81.2-12.9-177-59.3-174.2172.500113.6Y158Y158-E160 PolarHBondContact O-N 3.45Å
161K92.3Very high92.5Very high48 Ų4889.8 Ų89.821%0.20944%0.435CS..SBendtrans-126.7147.9-175.8-64.7-176.2-175179.10110.2Y158 P159 Y193 A196 Q198Y158-K161 PolarHBondContact O-N 3.21Å; P159-K161 VanDerWaalsContact C-N 3.34Å; K161-Y193 HydrophobicContact CB-CD1 4.16Å; K161-Y193 HydrophobicContact CB-CE1 4.07Å; K161-Y193 HydrophobicContact CD-CD1 4.17Å; K161-Y193 PolarHBondContact NZ-O 3.08Å; K161-A196 HydrophobicContact CD-CB 4.01Å; K161-A196 WeakPolarHBondContact CE-O 3.36Å; K161-A196 PolarHBondContact NZ-O 3.43Å; K161-Q198 CarbonylContact C-O 3.55Å; K161-Q198 WeakPolarHBondContact CA-O 3.28Å; K161-Q198 WeakPolarHBondContact CB-O 3.48Å
162E94.2Very high92.4Very high118 Ų11893 Ų9355%0.55145%0.451SS*.EExtended strand (participates in β ladder)trans-92.4123.4-178.5-174.8175.6-17100110.3L164 Q198 T199 I200E162-L164 HydrophobicContact CG-CD2 4.27Å; E162-Q198 PolarHBondContact N-O 2.96Å; E162-T199 HydrophobicContact CB-CG2 4.43Å; E162-T199 CarbonylContact O-C 3.6Å; E162-T199 WeakPolarHBondContact O-CA 3.49Å; E162-I200 PolarHBondContact O-N 3.33Å
163L96.2Very high92.4Very high21 Ų2191.6 Ų91.611%0.1146%0.456CS..EExtended strand (participates in β ladder)trans-101.8119.6173.5-175.969.2000111.3I151 D155 I165 L189 I200 I202I151-L163 HydrophobicContact CG2-CD2 3.69Å; D155-L163 HydrophobicContact CB-CD2 3.66Å; D155-L163 WeakPolarHBondContact OD1-CB 3.48Å; L163-I165 HydrophobicContact CD2-CD1 4.05Å; L163-I165 HydrophobicContact CD2-CG1 3.98Å; L163-I165 HydrophobicContact CG-CG1 4.02Å; L163-L189 HydrophobicContact CD1-CD2 4.22Å; L163-I200 WeakPolarHBondContact CA-O 3.3Å; L163-I200 HydrophobicContact CD1-CB 3.83Å; L163-I200 HydrophobicContact CD1-CG2 3.62Å; L163-I202 HydrophobicContact CD1-CB 4.35Å; L163-I202 HydrophobicContact CD1-CG2 3.83Å; L163-I202 HydrophobicContact CD2-CG2 4.47Å; L163-I202 HydrophobicContact CG-CG2 4.23Å
164L95.5Very high92.6Very high75 Ų7586.9 Ų86.939%0.39344%0.435SS..EExtended strand (participates in β ladder)trans-101.8114.3174.4-61.9179.4000110.1E162 I200 D201 I202E162-L164 HydrophobicContact CG-CD2 4.27Å; L164-I200 PolarHBondContact N-O 3.3Å; L164-D201 WeakPolarHBondContact CD1-OD1 3.44Å; L164-I202 PolarHBondContact O-N 2.91Å
165I96Very high92.8Very high34 Ų3490.3 Ų90.317%0.17445%0.449CS..EExtended strand (participates in β ladder)trans-102114.9-178.4-51.8178.7000110.4E148 I151 R152 L163 I202E148-I165 HydrophobicContact CG-CG2 4.1Å; I151-I165 HydrophobicContact CG2-CD1 3.72Å; I151-I165 HydrophobicContact CG2-CG1 4.23Å; R152-I165 HydrophobicContact CG-CD1 3.66Å; L163-I165 HydrophobicContact CD2-CD1 4.05Å; L163-I165 HydrophobicContact CD2-CG1 3.98Å; L163-I165 HydrophobicContact CG-CG1 4.02Å; I165-I202 WeakPolarHBondContact CA-O 3.36Å; I165-I202 HydrophobicContact CB-CG2 4.03Å; I165-I202 HydrophobicContact CG1-CG2 3.64Å; I165-I202 HydrophobicContact CG2-CG2 4.11Å
166T96Very high93Very high76 Ų7688.1 Ų88.147%0.46644%0.438SS..EExtended strand (participates in β ladder)trans-103.7129173.1-59.20000110.7I202 T203 I204T166-I202 PolarHBondContact N-O 3.42Å; T166-T203 HydrophobicContact CG2-CG2 4.15Å; T166-T203 WeakPolarHBondContact O-CA 3.33Å; T166-I204 PolarHBondContact O-N 3.32Å
167K94.4Very high93.2Very high111 Ų11181.1 Ų81.148%0.48341%0.405SS..EExtended strand (participates in β ladder)trans-107.5117.4176.7-49.6178.9-150.7-162.70109.3E148 Y169E148-K167 WeakPolarHBondContact OE1-CE 3.36Å; E148-K167 IonicContact OE1-NZ 2.61Å; E148-K167 PolarHBondContact OE1-NZ 3.14Å; E148-K167 WeakPolarHBondContact OE2-CD 3.46Å; E148-K167 WeakPolarHBondContact OE2-CE 3.4Å; E148-K167 IonicContact OE2-NZ 2.85Å; E148-K167 PolarHBondContact OE2-NZ 3.35Å; K167-Y169 HydrophobicContact CB-CD1 4.2Å; K167-Y169 HydrophobicContact CB-CE1 3.79Å; K167-Y169 HydrophobicContact CG-CE1 4.18Å
168D94.7Very high93.6Very high101 Ų10175.5 Ų75.554%0.5438%0.38SS..EExtended strand (participates in β ladder)trans-120.757.7176-170.322.8000110.2I204 A205 L206D168-I204 PolarHBondContact N-O 3.21Å; D168-A205 HydrophobicContact CB-CB 4.11Å; D168-A205 WeakPolarHBondContact O-CA 3.47Å; D168-L206 PolarHBondContact O-N 2.94Å
169Y92.9Very high93.8Very high36 Ų3676.2 Ų76.214%0.14139%0.39CS..SBendtrans-153.7147.7176.663-84.3000110.4L144 K167 I204L144-Y169 HydrophobicContact CB-CD2 4.04Å; L144-Y169 HydrophobicContact CB-CE2 3.78Å; L144-Y169 HydrophobicContact CD1-CD2 4.1Å; L144-Y169 HydrophobicContact CD1-CG 4.48Å; K167-Y169 HydrophobicContact CB-CD1 4.2Å; K167-Y169 HydrophobicContact CB-CE1 3.79Å; K167-Y169 HydrophobicContact CG-CE1 4.18Å; Y169-I204 HydrophobicContact CD1-CB 4.18Å; Y169-I204 HydrophobicContact CD1-CG2 3.95Å; Y169-I204 WeakPolarHBondContact CD1-O 3.45Å; Y169-I204 HydrophobicContact CE1-CB 3.89Å; Y169-I204 HydrophobicContact CE1-CD1 4.45Å; Y169-I204 HydrophobicContact CE1-CG2 3.8Å
170P91.6Very high94.1Very high83 Ų8370.8 Ų70.854%0.53935%0.354SS..  trans-72161.8173.531.7-35.3000110.8I172P170-I172 WeakPolarHBondContact O-CG2 3.42Å; P170-I172 PolarHBondContact O-N 2.86Å
171K92.1Very high94.3Very high223 Ų22362 Ų6297%0.9731%0.313SS*.SBendtrans-61.7104.6169.4-174.1176.3-178.1176.30109.3
172I93.9Very high94.4Very high66 Ų6660.8 Ų60.834%0.33831%0.309SS..  trans-141154.1-172.9-166.4170000110.6L144 P170 L206L144-I172 HydrophobicContact CB-CG2 4.42Å; L144-I172 HydrophobicContact CD1-CG2 3.51Å; L144-I172 HydrophobicContact CG-CG2 3.96Å; L144-I172 PolarHBondContact N-O 3.44Å; L144-I172 VanDerWaalsContact N-O 3.15Å; P170-I172 WeakPolarHBondContact O-CG2 3.42Å; P170-I172 PolarHBondContact O-N 2.86Å; I172-L206 HydrophobicContact CD1-CD2 4.12Å; I172-L206 HydrophobicContact CG2-CD2 4.03Å
173T94.6Very high94.2Very high86 Ų8657.3 Ų57.353%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-111.3132.7169.161.40000107.8M141 Q142 P143M141-T173 WeakPolarHBondContact CE-O 3.46Å; M141-T173 WeakPolarHBondContact CE-OG1 3.3Å; Q142-T173 CarbonylContact O-C 3.56Å; Q142-T173 VanDerWaalsContact O-CA 3.28Å; Q142-T173 WeakPolarHBondContact O-CA 3.42Å; P143-T173 HydrophobicContact CB-CG2 4.29Å; P143-T173 HydrophobicContact CG-CG2 4.12Å
174A94.5Very high94.1Very high8 Ų856.3 Ų56.37%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-132.9161176.600000112.4M141 Q142 L144 Y176 L279M141-A174 VanDerWaalsContact CE-CA 3.48Å; M141-A174 VanDerWaalsContact CE-O 3.26Å; M141-A174 WeakPolarHBondContact CE-O 3.42Å; M141-A174 VanDerWaalsContact SD-C 3.51Å; Q142-A174 PolarHBondContact N-O 3.09Å; Q142-A174 VanDerWaalsContact N-O 3.11Å; Q142-A174 PolarHBondContact O-N 2.96Å; L144-A174 HydrophobicContact CD2-CB 4.45Å; A174-Y176 HydrophobicContact CB-CD1 4.12Å; A174-Y176 WeakPolarHBondContact O-CD1 3.5Å; A174-Y176 WeakPolarHBondContact O-CE1 3.38Å; A174-L279 HydrophobicContact CB-CB 4.15Å; A174-L279 HydrophobicContact CB-CD1 3.49Å; A174-L279 VanDerWaalsContact CB-CD1 3.49Å; A174-L279 HydrophobicContact CB-CD2 3.97Å; A174-L279 HydrophobicContact CB-CG 4.08Å
175K95.7Very high94.1Very high86 Ų8652.8 Ų52.837%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-93.3111178.7176179.3173.8-124.50110.3K139 K140 M141 D280K139-K175 HydrophobicContact CB-CG 3.77Å; K140-K175 WeakPolarHBondContact O-CA 3.39Å; M141-K175 HydrophobicContact SD-CB 3.97Å; K175-D280 HydrophobicContact CB-CB 3.85Å; K175-D280 HydrophobicContact CD-CB 3.88Å; K175-D280 HydrophobicContact CG-CB 3.92Å; K175-D280 PolarHBondContact N-O 3.44Å; K175-D280 IonicContact NZ-OD2 3.95Å; K175-D280 PolarHBondContact NZ-OD2 2.99Å; K175-D280 PolarHBondContact O-N 2.84Å
176Y96.1Very high93.9Very high0 Ų055.5 Ų55.50%028%0.281CS..EExtended strand (participates in β ladder)trans-155.9162.1-177.465.2-85.5000112.1K139 K140 Q142 P143 L144 I147 A174 L178 I181 L279K139-Y176 VanDerWaalsContact CA-C 3.47Å; K139-Y176 WeakPolarHBondContact CA-O 3.13Å; K140-Y176 PolarHBondContact N-O 3.06Å; K140-Y176 PolarHBondContact O-N 2.95Å; Q142-Y176 HydrophobicContact CG-CD1 4.2Å; Q142-Y176 HydrophobicContact CG-CE1 3.49Å; Q142-Y176 VanDerWaalsContact CG-CE1 3.49Å; Q142-Y176 HydrophobicContact CG-CE2 4.16Å; Q142-Y176 VanDerWaalsContact CG-CZ 3.49Å; Q142-Y176 PolarHBondContact NE2-O 2.92Å; P143-Y176 PolarHBondContact O-OH 3.38Å; L144-Y176 HydrophobicContact CD2-CD1 4.13Å; L144-Y176 HydrophobicContact CD2-CE1 3.66Å; I147-Y176 HydrophobicContact CD1-CE2 4.12Å; I147-Y176 HydrophobicContact CG1-CE2 4.19Å; A174-Y176 HydrophobicContact CB-CD1 4.12Å; A174-Y176 WeakPolarHBondContact O-CD1 3.5Å; A174-Y176 WeakPolarHBondContact O-CE1 3.38Å; Y176-L178 HydrophobicContact CD2-CB 4.35Å; Y176-L178 HydrophobicContact CE2-CB 3.84Å; Y176-L178 HydrophobicContact CE2-CD1 3.8Å; Y176-L178 HydrophobicContact CE2-CG 4.43Å; Y176-I181 HydrophobicContact CD2-CD1 3.56Å; Y176-I181 HydrophobicContact CE2-CD1 4.19Å; Y176-I181 HydrophobicContact CG-CD1 4.24Å; Y176-L279 HydrophobicContact CD1-CD2 3.9Å; Y176-L279 HydrophobicContact CG-CD2 3.98Å
177D95.1Very high93.7Very high3 Ų353.3 Ų53.32%0.01627%0.266CS..  trans-86.3103.8174-169.7-35.8000109.3L137 Y138 K139 D179 L180 I181 H257L137-D177 HydrophobicContact CD1-CB 3.68Å; L137-D177 HydrophobicContact CG-CB 4.32Å; Y138-D177 PolarHBondContact N-OD2 3.29Å; K139-D177 HydrophobicContact CG-CB 4.49Å; D177-D179 PolarHBondContact OD1-N 2.72Å; D177-L180 HydrophobicContact CB-CB 4.02Å; D177-L180 WeakPolarHBondContact OD1-CB 3.46Å; D177-L180 PolarHBondContact OD1-N 2.8Å; D177-I181 WeakPolarHBondContact O-CG1 3.14Å; D177-I181 PolarHBondContact O-N 2.91Å; D177-H257 PolarHBondContact N-NE2 3.01Å
178L95.1Very high93.6Very high25 Ų2548.1 Ų48.113%0.13124%0.244CC..Hα-helixtrans-69.8-41.1-177.2175.867.1000111.5L146 I147 Y176 L180 I181 N182L146-L178 HydrophobicContact CB-CD1 3.99Å; L146-L178 HydrophobicContact CB-CD2 3.88Å; L146-L178 HydrophobicContact CD1-CD2 3.82Å; L146-L178 HydrophobicContact CG-CD2 4.46Å; I147-L178 HydrophobicContact CG1-CD1 3.98Å; Y176-L178 HydrophobicContact CD2-CB 4.35Å; Y176-L178 HydrophobicContact CE2-CB 3.84Å; Y176-L178 HydrophobicContact CE2-CD1 3.8Å; Y176-L178 HydrophobicContact CE2-CG 4.43Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 2.73Å; L178-I181 PolarHBondContact O-N 2.83Å; L178-N182 WeakPolarHBondContact CD1-OD1 3.27Å; L178-N182 VanDerWaalsContact O-CB 3.3Å; L178-N182 WeakPolarHBondContact O-CB 3.49Å; L178-N182 VanDerWaalsContact O-CG 3.23Å; L178-N182 PolarHBondContact O-N 3.37Å; L178-N182 PolarHBondContact O-OD1 2.86Å
179D91.9Very high93.6Very high101 Ų10143.3 Ų43.354%0.5422%0.218SC..Hα-helixtrans-62.9-40.6-177.5-60.7-31.4000110.7D177 E183D177-D179 PolarHBondContact OD1-N 2.72Å; D179-E183 PolarHBondContact O-N 2.98Å; D179-E183 VanDerWaalsContact O-N 3.11Å
180L92.6Very high93.4Very high2 Ų244 Ų441%0.0122%0.224CC..Hα-helixtrans-63.9-48.2174.4-178.2160000111.7L137 D177 L178 N182 E183 V184 L253 K256 H257 F277L137-L180 HydrophobicContact CD1-CD1 3.6Å; D177-L180 HydrophobicContact CB-CB 4.02Å; D177-L180 WeakPolarHBondContact OD1-CB 3.46Å; D177-L180 PolarHBondContact OD1-N 2.8Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 2.73Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.25Å; L180-E183 PolarHBondContact O-N 2.99Å; L180-V184 HydrophobicContact CD2-CG2 4.25Å; L180-V184 PolarHBondContact O-N 3.23Å; L180-V184 VanDerWaalsContact O-N 3.13Å; L180-L253 HydrophobicContact CD1-CD2 4.25Å; L180-L253 HydrophobicContact CD2-CB 3.91Å; L180-L253 WeakPolarHBondContact CD2-O 3.39Å; L180-L253 HydrophobicContact CG-CB 4.03Å; L180-L253 HydrophobicContact CG-CD2 3.97Å; L180-L253 HydrophobicContact CG-CG 4.47Å; L180-K256 HydrophobicContact CD1-CB 4.36Å; L180-K256 HydrophobicContact CD1-CG 4.38Å; L180-H257 HydrophobicContact CD1-CB 4.34Å; L180-H257 HydrophobicContact CD2-CB 3.9Å; L180-F277 HydrophobicContact CD2-CD1 4.47Å; L180-F277 HydrophobicContact CD2-CE1 4.08Å
181I95.4Very high93.4Very high0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-62.6-41.7179.8-67.9-178000110.5I147 Y176 D177 L178 E183 V184 V185 I213 F277I147-I181 HydrophobicContact CD1-CD1 4.26Å; I147-I181 HydrophobicContact CD1-CG2 3.97Å; I147-I181 HydrophobicContact CG1-CG2 4.1Å; I147-I181 HydrophobicContact CG2-CG2 4.32Å; Y176-I181 HydrophobicContact CD2-CD1 3.56Å; Y176-I181 HydrophobicContact CE2-CD1 4.19Å; Y176-I181 HydrophobicContact CG-CD1 4.24Å; D177-I181 WeakPolarHBondContact O-CG1 3.14Å; D177-I181 PolarHBondContact O-N 2.91Å; L178-I181 PolarHBondContact O-N 2.83Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 2.99Å; I181-V184 WeakPolarHBondContact O-CB 3.39Å; I181-V184 PolarHBondContact O-N 3.37Å; I181-V184 VanDerWaalsContact O-N 3.15Å; I181-V185 HydrophobicContact CG2-CG2 4.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.41Å; I181-V185 PolarHBondContact O-N 2.84Å; I181-I213 HydrophobicContact CG2-CD1 3.91Å; I181-F277 HydrophobicContact CB-CZ 4.43Å; I181-F277 HydrophobicContact CD1-CB 4.08Å; I181-F277 HydrophobicContact CD1-CD1 4.15Å; I181-F277 HydrophobicContact CD1-CD2 4.15Å; I181-F277 HydrophobicContact CD1-CG 3.86Å; I181-F277 HydrophobicContact CG1-CD1 3.71Å; I181-F277 HydrophobicContact CG1-CD2 4.23Å; I181-F277 HydrophobicContact CG1-CE1 3.81Å; I181-F277 HydrophobicContact CG1-CE2 4.33Å; I181-F277 HydrophobicContact CG1-CG 3.91Å; I181-F277 HydrophobicContact CG1-CZ 4.11Å; I181-F277 HydrophobicContact CG2-CD2 4.45Å; I181-F277 HydrophobicContact CG2-CE2 4.05Å; I181-F277 HydrophobicContact CG2-CZ 4.15Å
182N93.6Very high93.4Very high22 Ų2229.9 Ų29.912%0.11816%0.155CC..Hα-helixtrans-59-43.9177.6-78.1-1000111.7H150 L178 L180 V184 V185 E186H150-N182 VanDerWaalsContact CD2-CB 3.42Å; H150-N182 WeakPolarHBondContact CD2-CB 3.31Å; H150-N182 PolarHBondContact CD2-OD1 3.3Å; L178-N182 WeakPolarHBondContact CD1-OD1 3.27Å; L178-N182 VanDerWaalsContact O-CB 3.3Å; L178-N182 WeakPolarHBondContact O-CB 3.49Å; L178-N182 VanDerWaalsContact O-CG 3.23Å; L178-N182 PolarHBondContact O-N 3.37Å; L178-N182 PolarHBondContact O-OD1 2.86Å; L180-N182 VanDerWaalsContact C-N 3.31Å; L180-N182 PolarHBondContact O-N 3.25Å; N182-V184 VanDerWaalsContact C-N 3.32Å; N182-V184 PolarHBondContact O-N 3.35Å; N182-V185 PolarHBondContact O-N 3.19Å; N182-E186 WeakPolarHBondContact O-CB 3.38Å; N182-E186 PolarHBondContact O-N 3.35Å
183E91.2Very high93.3Very high44 Ų4427.1 Ų27.121%0.20614%0.141CC..Hα-helixtrans-64.4-35.2176.2-172.3178.8167.200112.6R135 D179 L180 I181 N187 L253R135-E183 IonicContact CZ-OE2 2.68Å; R135-E183 IonicContact NH1-OE2 3.42Å; R135-E183 PolarHBondContact NH1-OE2 3.29Å; R135-E183 IonicContact NH2-OE2 2.99Å; D179-E183 PolarHBondContact O-N 2.98Å; D179-E183 VanDerWaalsContact O-N 3.11Å; L180-E183 PolarHBondContact O-N 2.99Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 2.99Å; E183-N187 PolarHBondContact O-N 3.28Å; E183-N187 PolarHBondContact O-ND2 2.87Å; E183-L253 HydrophobicContact CB-CD1 3.82Å; E183-L253 VanDerWaalsContact CD-CD1 3.49Å; E183-L253 HydrophobicContact CG-CD1 3.56Å
184V93.5Very high93Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-65.2-49.3171.2175.90000110.5L180 I181 N182 E186 N187 L188 A250 L253 A275 F277L180-V184 HydrophobicContact CD2-CG2 4.25Å; L180-V184 PolarHBondContact O-N 3.23Å; L180-V184 VanDerWaalsContact O-N 3.13Å; I181-V184 WeakPolarHBondContact O-CB 3.39Å; I181-V184 PolarHBondContact O-N 3.37Å; I181-V184 VanDerWaalsContact O-N 3.15Å; N182-V184 VanDerWaalsContact C-N 3.32Å; N182-V184 PolarHBondContact O-N 3.35Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 3.31Å; V184-N187 WeakPolarHBondContact O-CB 3.41Å; V184-N187 PolarHBondContact O-N 2.9Å; V184-N187 VanDerWaalsContact O-N 3.15Å; V184-L188 HydrophobicContact CG1-CD1 4.33Å; V184-L188 HydrophobicContact CG1-CG 4.22Å; V184-L188 WeakPolarHBondContact O-CG 3.48Å; V184-L188 PolarHBondContact O-N 2.9Å; V184-A250 HydrophobicContact CG1-CB 3.94Å; V184-L253 HydrophobicContact CG2-CB 3.4Å; V184-L253 VanDerWaalsContact CG2-CB 3.4Å; V184-L253 HydrophobicContact CG2-CD1 3.84Å; V184-L253 HydrophobicContact CG2-CG 4.28Å; V184-A275 HydrophobicContact CG1-CB 3.72Å; V184-F277 HydrophobicContact CB-CE1 4.28Å; V184-F277 HydrophobicContact CB-CZ 3.79Å; V184-F277 HydrophobicContact CG1-CE1 4.41Å; V184-F277 HydrophobicContact CG1-CZ 3.68Å; V184-F277 HydrophobicContact CG2-CE1 3.98Å; V184-F277 HydrophobicContact CG2-CZ 4Å
185V95.3Very high92.8Very high1 Ų130.5 Ų30.51%0.00614%0.144CC..Hα-helixtrans-58.3-43.9-179.6167.50000111.3I147 I151 I154 I181 N182 N187 L188 L189 I213I147-V185 HydrophobicContact CG2-CG2 4.31Å; I151-V185 HydrophobicContact CD1-CG1 4.28Å; I151-V185 HydrophobicContact CG1-CG1 3.5Å; I154-V185 HydrophobicContact CD1-CG1 4.2Å; I181-V185 HydrophobicContact CG2-CG2 4.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.41Å; I181-V185 PolarHBondContact O-N 2.84Å; N182-V185 PolarHBondContact O-N 3.19Å; V185-N187 PolarHBondContact O-N 3.47Å; V185-L188 PolarHBondContact O-N 3.06Å; V185-L189 HydrophobicContact CG1-CD1 3.76Å; V185-L189 HydrophobicContact CG1-CG 4.28Å; V185-L189 WeakPolarHBondContact O-CB 3.48Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 2.95Å; V185-I213 HydrophobicContact CG2-CD1 3.43Å; V185-I213 VanDerWaalsContact CG2-CD1 3.43Å
186E92Very high92.6Very high91 Ų9126.7 Ų26.743%0.42513%0.128SC..Hα-helixtrans-59.2-45.8175.7-174.8178.317800111.3I154 N182 V184 L188 L189 N190I154-E186 HydrophobicContact CD1-CB 4.07Å; I154-E186 HydrophobicContact CD1-CG 4.44Å; N182-E186 WeakPolarHBondContact O-CB 3.38Å; N182-E186 PolarHBondContact O-N 3.35Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 3.31Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.24Å; E186-L189 PolarHBondContact O-N 3.04Å; E186-N190 WeakPolarHBondContact CG-ND2 3.43Å; E186-N190 WeakPolarHBondContact O-CB 3.4Å; E186-N190 PolarHBondContact O-N 2.8Å; E186-N190 PolarHBondContact O-ND2 3.5Å
187N90.5Very high92.4Very high30 Ų3033.2 Ų33.216%0.1616%0.157CC..Hα-helixtrans-61.8-40.4176-81.6-54.7000112.9E183 V184 V185 N191 G246 A250E183-N187 PolarHBondContact O-N 3.28Å; E183-N187 PolarHBondContact O-ND2 2.87Å; V184-N187 WeakPolarHBondContact O-CB 3.41Å; V184-N187 PolarHBondContact O-N 2.9Å; V184-N187 VanDerWaalsContact O-N 3.15Å; V185-N187 PolarHBondContact O-N 3.47Å; N187-N191 WeakPolarHBondContact O-CB 3.14Å; N187-N191 PolarHBondContact O-N 3.02Å; N187-G246 WeakPolarHBondContact CB-O 3.43Å; N187-G246 VanDerWaalsContact OD1-CA 3.25Å; N187-G246 WeakPolarHBondContact OD1-CA 3.42Å; N187-A250 HydrophobicContact CB-CB 4.14Å
188L94.1Very high92.4Very high3 Ų339.8 Ų39.82%0.01619%0.187CC..Hα-helixtrans-69.8-45.9178.7-61.7-163.2000112.1V184 V185 E186 N191 A192 V215 L247 A250 L261 V273 A275V184-L188 HydrophobicContact CG1-CD1 4.33Å; V184-L188 HydrophobicContact CG1-CG 4.22Å; V184-L188 WeakPolarHBondContact O-CG 3.48Å; V184-L188 PolarHBondContact O-N 2.9Å; V185-L188 PolarHBondContact O-N 3.06Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.24Å; L188-N191 WeakPolarHBondContact O-CB 3.19Å; L188-N191 PolarHBondContact O-N 3.41Å; L188-A192 PolarHBondContact O-N 2.86Å; L188-V215 HydrophobicContact CB-CB 4.41Å; L188-V215 HydrophobicContact CB-CG2 3.84Å; L188-V215 HydrophobicContact CD1-CG2 4.03Å; L188-L247 HydrophobicContact CD2-CD2 3.64Å; L188-A250 HydrophobicContact CD2-CB 3.98Å; L188-L261 HydrophobicContact CD1-CD1 4.31Å; L188-L261 HydrophobicContact CD2-CD1 3.99Å; L188-V273 HydrophobicContact CD1-CG1 4.15Å; L188-V273 HydrophobicContact CD2-CB 4.3Å; L188-V273 HydrophobicContact CD2-CG1 3.57Å; L188-V273 HydrophobicContact CG-CG1 4.46Å; L188-A275 HydrophobicContact CD1-CB 3.93Å
189L93.5Very high92.4Very high0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-66.2-44.1178.7-74.5176.5000111.3I151 I154 L163 V185 E186 N191 A192 Y193 I202 V215I151-L189 HydrophobicContact CB-CD1 4.45Å; I151-L189 HydrophobicContact CG1-CD1 4.25Å; I151-L189 HydrophobicContact CG2-CD1 4.16Å; I154-L189 HydrophobicContact CB-CD1 4.04Å; I154-L189 HydrophobicContact CD1-CD1 3.83Å; I154-L189 HydrophobicContact CG2-CB 4.15Å; I154-L189 HydrophobicContact CG2-CD1 3.89Å; L163-L189 HydrophobicContact CD1-CD2 4.22Å; V185-L189 HydrophobicContact CG1-CD1 3.76Å; V185-L189 HydrophobicContact CG1-CG 4.28Å; V185-L189 WeakPolarHBondContact O-CB 3.48Å; V185-L189 WeakPolarHBondContact O-CG 3.47Å; V185-L189 PolarHBondContact O-N 2.95Å; E186-L189 PolarHBondContact O-N 3.04Å; L189-N191 PolarHBondContact O-N 2.8Å; L189-A192 CarbonylContact O-C 3.58Å; L189-A192 PolarHBondContact O-N 2.76Å; L189-Y193 HydrophobicContact CB-CD2 4.17Å; L189-Y193 HydrophobicContact CB-CE2 4.16Å; L189-Y193 HydrophobicContact CD2-CE2 4.32Å; L189-Y193 WeakPolarHBondContact O-CB 3.35Å; L189-Y193 WeakPolarHBondContact O-CD2 3.06Å; L189-Y193 PolarHBondContact O-N 3.3Å; L189-I202 HydrophobicContact CD2-CD1 4.06Å; L189-V215 HydrophobicContact CD2-CG1 4.26Å
190N89.6Confident92.6Very high49 Ų4935.7 Ų35.726%0.26217%0.167SC..Hα-helixtrans-58.7-36174.9-73.8-19.4000111.7Y158 E186 R194Y158-N190 PolarHBondContact OH-OD1 3.46Å; E186-N190 WeakPolarHBondContact CG-ND2 3.43Å; E186-N190 WeakPolarHBondContact O-CB 3.4Å; E186-N190 PolarHBondContact O-N 2.8Å; E186-N190 PolarHBondContact O-ND2 3.5Å; N190-R194 VanDerWaalsContact O-CB 3.3Å; N190-R194 WeakPolarHBondContact O-CB 3.41Å; N190-R194 PolarHBondContact O-N 3.48Å; N190-R194 VanDerWaalsContact O-N 3.16Å
191N90.3Very high92.8Very high10 Ų1037.6 Ų37.65%0.05318%0.177CC..Hα-helixtrans-66.6-48.3172.9-173.572.3000111.9N187 L188 L189 R194 F195N187-N191 WeakPolarHBondContact O-CB 3.14Å; N187-N191 PolarHBondContact O-N 3.02Å; L188-N191 WeakPolarHBondContact O-CB 3.19Å; L188-N191 PolarHBondContact O-N 3.41Å; L189-N191 PolarHBondContact O-N 2.8Å; N191-R194 PolarHBondContact O-N 3.05Å; N191-R194 PolarHBondContact OD1-NH2 3.4Å; N191-F195 VanDerWaalsContact O-CD2 3.23Å; N191-F195 WeakPolarHBondContact O-CD2 3.31Å; N191-F195 PolarHBondContact O-N 3.48Å; N191-F195 VanDerWaalsContact OD1-CE2 3.23Å; N191-F195 WeakPolarHBondContact OD1-CE2 3.3Å
192A93.2Very high92.9Very high1 Ų137.6 Ų37.61%0.00818%0.177CC..Hα-helixtrans-62.1-49178.900000111.8L188 L189 R194 F195 A196 I200 V215 D217L188-A192 PolarHBondContact O-N 2.86Å; L189-A192 CarbonylContact O-C 3.58Å; L189-A192 PolarHBondContact O-N 2.76Å; A192-R194 PolarHBondContact O-N 2.93Å; A192-F195 PolarHBondContact O-N 3.46Å; A192-F195 VanDerWaalsContact O-N 3.07Å; A192-A196 WeakPolarHBondContact O-CB 3.4Å; A192-A196 PolarHBondContact O-N 3.44Å; A192-I200 HydrophobicContact CB-CD1 3.85Å; A192-I200 HydrophobicContact CB-CG1 4.15Å; A192-I200 HydrophobicContact CB-CG2 3.94Å; A192-V215 HydrophobicContact CB-CG1 3.58Å; A192-D217 HydrophobicContact CB-CB 4.37Å
193Y92Very high93.1Very high8 Ų838.4 Ų38.43%0.03118%0.183CC..Hα-helixtrans-59.3-30.5175.6-79.4-62.9000113.3I154 D155 Y158 K161 L189 I200I154-Y193 HydrophobicContact CG2-CE2 4.37Å; D155-Y193 PolarHBondContact OD1-OH 3.26Å; Y158-Y193 VanDerWaalsContact CB-CD1 3.41Å; Y158-Y193 AromaticContact CD1-CD1 3.89Å; Y158-Y193 HydrophobicContact CD1-CD1 3.89Å; Y158-Y193 HydrophobicContact CD1-CD2 4.26Å; Y158-Y193 AromaticContact CD1-CG 3.73Å; Y158-Y193 HydrophobicContact CD1-CG 3.73Å; Y158-Y193 HydrophobicContact CD2-CD1 4.14Å; Y158-Y193 AromaticContact CD2-CD2 3.45Å; Y158-Y193 HydrophobicContact CD2-CD2 3.45Å; Y158-Y193 VanDerWaalsContact CD2-CD2 3.45Å; Y158-Y193 HydrophobicContact CD2-CE1 4.27Å; Y158-Y193 AromaticContact CD2-CE2 3.59Å; Y158-Y193 HydrophobicContact CD2-CE2 3.59Å; Y158-Y193 AromaticContact CD2-CG 3.78Å; Y158-Y193 HydrophobicContact CD2-CG 3.78Å; Y158-Y193 HydrophobicContact CE1-CG 4.16Å; Y158-Y193 AromaticContact CE2-CD2 3.75Å; Y158-Y193 HydrophobicContact CE2-CD2 3.75Å; Y158-Y193 HydrophobicContact CE2-CE2 4.21Å; Y158-Y193 HydrophobicContact CE2-CG 4.19Å; Y158-Y193 AromaticContact CG-CD1 3.55Å; Y158-Y193 HydrophobicContact CG-CD1 3.55Å; Y158-Y193 AromaticContact CG-CD2 3.73Å; Y158-Y193 HydrophobicContact CG-CD2 3.73Å; Y158-Y193 AromaticContact CG-CE1 3.85Å; Y158-Y193 HydrophobicContact CG-CE1 3.85Å; Y158-Y193 HydrophobicContact CG-CE2 4.01Å; Y158-Y193 AromaticContact CG-CG 3.53Å; Y158-Y193 HydrophobicContact CG-CG 3.53Å; K161-Y193 HydrophobicContact CB-CD1 4.16Å; K161-Y193 HydrophobicContact CB-CE1 4.07Å; K161-Y193 HydrophobicContact CD-CD1 4.17Å; K161-Y193 PolarHBondContact NZ-O 3.08Å; L189-Y193 HydrophobicContact CB-CD2 4.17Å; L189-Y193 HydrophobicContact CB-CE2 4.16Å; L189-Y193 HydrophobicContact CD2-CE2 4.32Å; L189-Y193 WeakPolarHBondContact O-CB 3.35Å; L189-Y193 WeakPolarHBondContact O-CD2 3.06Å; L189-Y193 PolarHBondContact O-N 3.3Å; Y193-I200 HydrophobicContact CD1-CD1 3.32Å; Y193-I200 HydrophobicContact CD2-CD1 4.11Å; Y193-I200 HydrophobicContact CE1-CD1 3.42Å; Y193-I200 VanDerWaalsContact CE1-CD1 3.42Å; Y193-I200 HydrophobicContact CE2-CD1 4.21Å; Y193-I200 HydrophobicContact CG-CD1 3.65Å
194R87.9Confident93.3Very high99 Ų9936.3 Ų36.337%0.37417%0.173SC..Hα-helixtrans-71.4-34.7176.1-176.7174.163.1-145.8-2.1112.9N190 N191 A192N190-R194 VanDerWaalsContact O-CB 3.3Å; N190-R194 WeakPolarHBondContact O-CB 3.41Å; N190-R194 PolarHBondContact O-N 3.48Å; N190-R194 VanDerWaalsContact O-N 3.16Å; N191-R194 PolarHBondContact O-N 3.05Å; N191-R194 PolarHBondContact OD1-NH2 3.4Å; A192-R194 PolarHBondContact O-N 2.93Å
195F89.5Confident93.5Very high66 Ų6636.5 Ų36.529%0.28917%0.174SC..Hα-helixtrans-108.9-22.5-169.5-68.4-63.2000115.3N191 A192 G219N191-F195 VanDerWaalsContact O-CD2 3.23Å; N191-F195 WeakPolarHBondContact O-CD2 3.31Å; N191-F195 PolarHBondContact O-N 3.48Å; N191-F195 VanDerWaalsContact OD1-CE2 3.23Å; N191-F195 WeakPolarHBondContact OD1-CE2 3.3Å; A192-F195 PolarHBondContact O-N 3.46Å; A192-F195 VanDerWaalsContact O-N 3.07Å; F195-G219 VanDerWaalsContact O-CA 3.25Å; F195-G219 WeakPolarHBondContact O-CA 3.44Å
196A92.4Very high93.5Very high6 Ų638 Ų385%0.0518%0.182CC..  trans-55.8144.6173.900000110.6K161 A192 I200 D217 D218K161-A196 HydrophobicContact CD-CB 4.01Å; K161-A196 WeakPolarHBondContact CE-O 3.36Å; K161-A196 PolarHBondContact NZ-O 3.43Å; A192-A196 WeakPolarHBondContact O-CB 3.4Å; A192-A196 PolarHBondContact O-N 3.44Å; A196-I200 HydrophobicContact CB-CD1 4.11Å; A196-I200 HydrophobicContact CB-CG1 3.69Å; A196-D217 HydrophobicContact CB-CB 3.87Å; A196-D218 WeakPolarHBondContact CA-OD1 3.35Å; A196-D218 WeakPolarHBondContact CB-OD1 3.44Å
197K92.5Very high93.6Very high137 Ų13738.8 Ų38.860%0.59619%0.186SC*.SBendtrans-82.3-52.3169.1-64.7172.3-172.51550109.8D218K197-D218 PolarHBondContact N-OD1 2.68Å
198Q94.1Very high93.5Very high140 Ų14046.6 Ų46.665%0.65422%0.222SC*.SBendtrans-138.5-43.6-174.1-64-18035.500112.6K161 E162 D218K161-Q198 CarbonylContact C-O 3.55Å; K161-Q198 WeakPolarHBondContact CA-O 3.28Å; K161-Q198 WeakPolarHBondContact CB-O 3.48Å; E162-Q198 PolarHBondContact N-O 2.96Å; Q198-D218 PolarHBondContact N-OD1 2.63Å; Q198-D218 VanDerWaalsContact N-OD1 3.14Å; Q198-D218 PolarHBondContact N-OD2 3.42Å
199T94.9Very high93.4Very high40 Ų4052 Ų5225%0.24525%0.247CC..EExtended strand (participates in β ladder)trans-121.5144.2-168.560.40000113.4E162 D218E162-T199 HydrophobicContact CB-CG2 4.43Å; E162-T199 CarbonylContact O-C 3.6Å; E162-T199 WeakPolarHBondContact O-CA 3.49Å; T199-D218 PolarHBondContact N-OD1 3.02Å; T199-D218 PolarHBondContact N-OD2 2.63Å; T199-D218 VanDerWaalsContact N-OD2 3.12Å; T199-D218 PolarHBondContact O-N 2.78Å; T199-D218 PolarHBondContact OG1-OD2 3.48Å
200I96.7Very high93.5Very high0 Ų055 Ų550%026%0.262CS..EExtended strand (participates in β ladder)trans-126.7126.3171.1-60168.4000108.3E162 L163 L164 A192 Y193 A196 V215 K216E162-I200 PolarHBondContact O-N 3.33Å; L163-I200 WeakPolarHBondContact CA-O 3.3Å; L163-I200 HydrophobicContact CD1-CB 3.83Å; L163-I200 HydrophobicContact CD1-CG2 3.62Å; L164-I200 PolarHBondContact N-O 3.3Å; A192-I200 HydrophobicContact CB-CD1 3.85Å; A192-I200 HydrophobicContact CB-CG1 4.15Å; A192-I200 HydrophobicContact CB-CG2 3.94Å; Y193-I200 HydrophobicContact CD1-CD1 3.32Å; Y193-I200 HydrophobicContact CD2-CD1 4.11Å; Y193-I200 HydrophobicContact CE1-CD1 3.42Å; Y193-I200 VanDerWaalsContact CE1-CD1 3.42Å; Y193-I200 HydrophobicContact CE2-CD1 4.21Å; Y193-I200 HydrophobicContact CG-CD1 3.65Å; A196-I200 HydrophobicContact CB-CD1 4.11Å; A196-I200 HydrophobicContact CB-CG1 3.69Å; I200-V215 HydrophobicContact CG2-CG1 3.98Å; I200-K216 CarbonylContact C-O 3.55Å; I200-K216 WeakPolarHBondContact CA-O 3.24Å
201D96.7Very high93.8Very high43 Ų4352.6 Ų52.623%0.2325%0.25CC..EExtended strand (participates in β ladder)trans-102.2119.5173.8-58-49.5000108.8L164 K216L164-D201 WeakPolarHBondContact CD1-OD1 3.44Å; D201-K216 HydrophobicContact CB-CB 4.22Å; D201-K216 PolarHBondContact N-O 2.96Å; D201-K216 PolarHBondContact O-N 3.26Å; D201-K216 IonicContact OD2-NZ 3.56Å; D201-K216 PolarHBondContact OD2-NZ 3.46Å
202I97.4Very high94.2Very high0 Ų052.6 Ų52.60%025%0.249CC..EExtended strand (participates in β ladder)trans-113.2126.5171.8-171.9161.9000110.7I151 L163 L164 I165 T166 L189 I213 Y214 V215I151-I202 HydrophobicContact CD1-CD1 3.47Å; I151-I202 VanDerWaalsContact CD1-CD1 3.47Å; I151-I202 HydrophobicContact CD1-CG1 4.31Å; I151-I202 HydrophobicContact CG1-CD1 3.89Å; I151-I202 HydrophobicContact CG2-CD1 4.13Å; I151-I202 HydrophobicContact CG2-CG2 4.15Å; L163-I202 HydrophobicContact CD1-CB 4.35Å; L163-I202 HydrophobicContact CD1-CG2 3.83Å; L163-I202 HydrophobicContact CD2-CG2 4.47Å; L163-I202 HydrophobicContact CG-CG2 4.23Å; L164-I202 PolarHBondContact O-N 2.91Å; I165-I202 WeakPolarHBondContact CA-O 3.36Å; I165-I202 HydrophobicContact CB-CG2 4.03Å; I165-I202 HydrophobicContact CG1-CG2 3.64Å; I165-I202 HydrophobicContact CG2-CG2 4.11Å; T166-I202 PolarHBondContact N-O 3.42Å; L189-I202 HydrophobicContact CD2-CD1 4.06Å; I202-I213 HydrophobicContact CD1-CG2 3.88Å; I202-I213 HydrophobicContact CG1-CG2 4.03Å; I202-Y214 CarbonylContact C-O 3.52Å; I202-Y214 VanDerWaalsContact CA-O 3.24Å; I202-Y214 WeakPolarHBondContact CA-O 3.4Å; I202-V215 HydrophobicContact CD1-CG2 3.9Å; I202-V215 HydrophobicContact CG1-CG2 4.13Å
203T97.1Very high94.4Very high39 Ų3952.6 Ų52.624%0.23925%0.249CC..EExtended strand (participates in β ladder)trans-119.1123.6175.2-57.20000109.8T166 I213 Y214T166-T203 HydrophobicContact CG2-CG2 4.15Å; T166-T203 WeakPolarHBondContact O-CA 3.33Å; T203-I213 WeakPolarHBondContact O-CA 3.45Å; T203-Y214 PolarHBondContact N-O 3.49Å; T203-Y214 PolarHBondContact O-N 2.93Å
204I97.1Very high94.6Very high0 Ų056.1 Ų56.10%026%0.263CS..EExtended strand (participates in β ladder)trans-102.6114.5171.2-50.3169.4000106.8I147 E148 I151 T166 D168 Y169 V211I147-I204 HydrophobicContact CG2-CD1 4.17Å; E148-I204 HydrophobicContact CB-CD1 4.12Å; I151-I204 HydrophobicContact CD1-CD1 3.6Å; I151-I204 HydrophobicContact CD1-CG1 4.11Å; T166-I204 PolarHBondContact O-N 3.32Å; D168-I204 PolarHBondContact N-O 3.21Å; Y169-I204 HydrophobicContact CD1-CB 4.18Å; Y169-I204 HydrophobicContact CD1-CG2 3.95Å; Y169-I204 WeakPolarHBondContact CD1-O 3.45Å; Y169-I204 HydrophobicContact CE1-CB 3.89Å; Y169-I204 HydrophobicContact CE1-CD1 4.45Å; Y169-I204 HydrophobicContact CE1-CG2 3.8Å; I204-V211 HydrophobicContact CG2-CG1 4.23Å
205A96.2Very high95.1Very high3 Ų351.6 Ų51.63%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-117.6142-179.500000111D168 V211 I212 Y214D168-A205 HydrophobicContact CB-CB 4.11Å; D168-A205 WeakPolarHBondContact O-CA 3.47Å; A205-V211 WeakPolarHBondContact O-CA 3.44Å; A205-I212 PolarHBondContact N-O 3.35Å; A205-I212 PolarHBondContact O-N 2.92Å; A205-Y214 HydrophobicContact CB-CE2 4.37Å
206L95.9Very high95.4Very high33 Ų3351.3 Ų51.317%0.17325%0.245CC..EExtended strand (participates in β ladder)trans-109.2117.6170.2178.566000109.6L144 D168 I172 V211 L279L144-L206 HydrophobicContact CD1-CD1 4.41Å; L144-L206 HydrophobicContact CD1-CD2 4.28Å; D168-L206 PolarHBondContact O-N 2.94Å; I172-L206 HydrophobicContact CD1-CD2 4.12Å; I172-L206 HydrophobicContact CG2-CD2 4.03Å; L206-V211 HydrophobicContact CD1-CG2 3.87Å; L206-L279 HydrophobicContact CD1-CD1 3.58Å
207Q93.2Very high95.5Very high108 Ų10851.2 Ų51.251%0.50524%0.244SC..EExtended strand (participates in β ladder)trans-120.6105.7174.5-65.7-174.6-9.800108.9Q209 L210 I212Q207-Q209 PolarHBondContact O-N 3.29Å; Q207-Q209 VanDerWaalsContact O-N 3.11Å; Q207-L210 PolarHBondContact N-O 3.25Å; Q207-L210 WeakPolarHBondContact O-CB 3.19Å; Q207-L210 PolarHBondContact O-N 2.97Å; Q207-I212 HydrophobicContact CB-CD1 4.44Å; Q207-I212 HydrophobicContact CG-CD1 4.23Å
208E89.8Confident95.7Very high193 Ų19345.9 Ų45.990%0.90222%0.222SC*.THydrogen-bonded Turntrans55.6-111.3-173-56.5179.2175.300111.9
209Q92.4Very high95.6Very high117 Ų11739.3 Ų39.355%0.54719%0.192SC..THydrogen-bonded Turntrans-99.46.5176.6-66.8179.1-13.200112.5Q207 L278 L279Q207-Q209 PolarHBondContact O-N 3.29Å; Q207-Q209 VanDerWaalsContact O-N 3.11Å; Q209-L278 HydrophobicContact CB-CD1 4.06Å; Q209-L279 VanDerWaalsContact O-CB 3.3Å; Q209-L279 WeakPolarHBondContact O-CB 3.4Å; Q209-L279 WeakPolarHBondContact O-CG 3.16Å; Q209-L279 PolarHBondContact O-N 3.26Å
210L95.3Very high95.4Very high62 Ų6242.3 Ų42.333%0.32521%0.212SC..EExtended strand (participates in β ladder)trans-104.6121.6-177.1-60.4177.1000110.8Q207 I212 V276 F277 L278Q207-L210 PolarHBondContact N-O 3.25Å; Q207-L210 WeakPolarHBondContact O-CB 3.19Å; Q207-L210 PolarHBondContact O-N 2.97Å; L210-I212 HydrophobicContact CB-CG1 4.5Å; L210-V276 HydrophobicContact CB-CG1 4.22Å; L210-V276 HydrophobicContact CD1-CG1 4.27Å; L210-V276 HydrophobicContact CD2-CG1 4.02Å; L210-V276 HydrophobicContact CG-CG1 4.41Å; L210-F277 WeakPolarHBondContact CA-O 3.14Å; L210-L278 HydrophobicContact CD2-CB 4.31Å; L210-L278 HydrophobicContact CD2-CD1 3.79Å
211V96.3Very high95.1Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-90.1126.9164.1169.60000108.1L144 I147 I204 A205 L206 I213 V276 F277 L279L144-V211 HydrophobicContact CD1-CG2 3.86Å; L144-V211 HydrophobicContact CD2-CG2 3.77Å; I147-V211 HydrophobicContact CD1-CG1 4.38Å; I204-V211 HydrophobicContact CG2-CG1 4.23Å; A205-V211 WeakPolarHBondContact O-CA 3.44Å; L206-V211 HydrophobicContact CD1-CG2 3.87Å; V211-I213 HydrophobicContact CG1-CG1 4.22Å; V211-V276 CarbonylContact O-C 3.58Å; V211-V276 WeakPolarHBondContact O-CA 3.21Å; V211-F277 PolarHBondContact N-O 3.4Å; V211-F277 PolarHBondContact O-N 2.89Å; V211-L279 HydrophobicContact CB-CD2 4.49Å; V211-L279 HydrophobicContact CG2-CD1 3.44Å; V211-L279 VanDerWaalsContact CG2-CD1 3.44Å; V211-L279 HydrophobicContact CG2-CD2 3.83Å; V211-L279 HydrophobicContact CG2-CG 3.77Å
212I97.1Very high94.6Very high9 Ų941.9 Ų41.95%0.04621%0.212CC..EExtended strand (participates in β ladder)trans-119.3123.3179.4-45.3173.8000108.3A205 Q207 L210 Y214 A275 V276A205-I212 PolarHBondContact N-O 3.35Å; A205-I212 PolarHBondContact O-N 2.92Å; Q207-I212 HydrophobicContact CB-CD1 4.44Å; Q207-I212 HydrophobicContact CG-CD1 4.23Å; L210-I212 HydrophobicContact CB-CG1 4.5Å; I212-Y214 HydrophobicContact CB-CD2 4.47Å; I212-Y214 HydrophobicContact CB-CE2 3.81Å; I212-Y214 HydrophobicContact CG2-CD1 4.47Å; I212-Y214 HydrophobicContact CG2-CD2 3.91Å; I212-Y214 HydrophobicContact CG2-CE1 3.95Å; I212-Y214 HydrophobicContact CG2-CE2 3.32Å; I212-Y214 HydrophobicContact CG2-CG 4.45Å; I212-A275 CarbonylContact C-O 3.47Å; I212-A275 WeakPolarHBondContact CA-O 2.88Å; I212-V276 HydrophobicContact CG1-CG1 4.4Å; I212-V276 HydrophobicContact CG1-CG2 4.31Å; I212-V276 HydrophobicContact CG2-CG2 4.08Å
213I97.8Very high94.1Very high1 Ų144 Ų441%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-109.7110.4176.1-55.2180000107.4I147 I181 V185 I202 T203 V211 V215 S274 A275 F277I147-I213 HydrophobicContact CG2-CD1 3.77Å; I181-I213 HydrophobicContact CG2-CD1 3.91Å; V185-I213 HydrophobicContact CG2-CD1 3.43Å; V185-I213 VanDerWaalsContact CG2-CD1 3.43Å; I202-I213 HydrophobicContact CD1-CG2 3.88Å; I202-I213 HydrophobicContact CG1-CG2 4.03Å; T203-I213 WeakPolarHBondContact O-CA 3.45Å; V211-I213 HydrophobicContact CG1-CG1 4.22Å; I213-V215 HydrophobicContact CG2-CG2 4.23Å; I213-S274 CarbonylContact O-C 3.56Å; I213-S274 VanDerWaalsContact O-CA 3.25Å; I213-S274 WeakPolarHBondContact O-CA 3.34Å; I213-A275 PolarHBondContact N-O 2.8Å; I213-A275 PolarHBondContact O-N 2.93Å; I213-F277 HydrophobicContact CD1-CD2 4.48Å; I213-F277 HydrophobicContact CD1-CE2 3.87Å; I213-F277 HydrophobicContact CG1-CE2 4.22Å
214Y96.9Very high93.4Very high82 Ų8251.2 Ų51.232%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-95.5125.9173.6-60.7-87.4000109.1I202 T203 A205 I212 S274I202-Y214 CarbonylContact C-O 3.52Å; I202-Y214 VanDerWaalsContact CA-O 3.24Å; I202-Y214 WeakPolarHBondContact CA-O 3.4Å; T203-Y214 PolarHBondContact N-O 3.49Å; T203-Y214 PolarHBondContact O-N 2.93Å; A205-Y214 HydrophobicContact CB-CE2 4.37Å; I212-Y214 HydrophobicContact CB-CD2 4.47Å; I212-Y214 HydrophobicContact CB-CE2 3.81Å; I212-Y214 HydrophobicContact CG2-CD1 4.47Å; I212-Y214 HydrophobicContact CG2-CD2 3.91Å; I212-Y214 HydrophobicContact CG2-CE1 3.95Å; I212-Y214 HydrophobicContact CG2-CE2 3.32Å; I212-Y214 HydrophobicContact CG2-CG 4.45Å; Y214-S274 VanDerWaalsContact CD1-CB 3.5Å
215V97.1Very high92.5Very high4 Ų457.1 Ų57.12%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-118.1118.1171.8-173.70000107.8L188 L189 A192 I200 I202 I213 I272 V273L188-V215 HydrophobicContact CB-CB 4.41Å; L188-V215 HydrophobicContact CB-CG2 3.84Å; L188-V215 HydrophobicContact CD1-CG2 4.03Å; L189-V215 HydrophobicContact CD2-CG1 4.26Å; A192-V215 HydrophobicContact CB-CG1 3.58Å; I200-V215 HydrophobicContact CG2-CG1 3.98Å; I202-V215 HydrophobicContact CD1-CG2 3.9Å; I202-V215 HydrophobicContact CG1-CG2 4.13Å; I213-V215 HydrophobicContact CG2-CG2 4.23Å; V215-I272 WeakPolarHBondContact O-CA 3.39Å; V215-V273 PolarHBondContact N-O 3.37Å; V215-V273 PolarHBondContact O-N 3.07Å
216K96.4Very high91.8Very high60 Ų6059 Ų5926%0.26129%0.289SS..EExtended strand (participates in β ladder)trans-118133178170.9-172.4162.4-132.90109.5I200 D201 A271 I272I200-K216 CarbonylContact C-O 3.55Å; I200-K216 WeakPolarHBondContact CA-O 3.24Å; D201-K216 HydrophobicContact CB-CB 4.22Å; D201-K216 PolarHBondContact N-O 2.96Å; D201-K216 PolarHBondContact O-N 3.26Å; D201-K216 IonicContact OD2-NZ 3.56Å; D201-K216 PolarHBondContact OD2-NZ 3.46Å; K216-A271 CarbonylContact C-O 3.6Å; K216-A271 VanDerWaalsContact CA-O 3.24Å; K216-A271 WeakPolarHBondContact CA-O 3.33Å; K216-I272 HydrophobicContact CB-CG1 3.99Å; K216-I272 HydrophobicContact CD-CD1 4.43Å; K216-I272 HydrophobicContact CD-CG1 4.36Å; K216-I272 HydrophobicContact CG-CD1 4.49Å; K216-I272 HydrophobicContact CG-CG1 3.9Å
217D95.5Very high91.2Very high4 Ų460.7 Ų60.72%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-109164.5169.661.678.3000111.7A192 A196 G219 G270 A271A192-D217 HydrophobicContact CB-CB 4.37Å; A196-D217 HydrophobicContact CB-CB 3.87Å; D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 VanDerWaalsContact OD1-CA 3.31Å; D217-G219 WeakPolarHBondContact OD1-CA 3.34Å; D217-G219 PolarHBondContact OD1-N 3.13Å; D217-G270 WeakPolarHBondContact O-CA 3.38Å; D217-A271 PolarHBondContact N-O 3.47Å; D217-A271 PolarHBondContact OD1-N 2.87Å; D217-A271 WeakPolarHBondContact OD2-CB 3.46Å
218D95.4Very high90.3Very high26 Ų2662.3 Ų62.314%0.13931%0.31CS..SBendtrans-96.720.217369.3-20.4000113A196 K197 Q198 T199A196-D218 WeakPolarHBondContact CA-OD1 3.35Å; A196-D218 WeakPolarHBondContact CB-OD1 3.44Å; K197-D218 PolarHBondContact N-OD1 2.68Å; Q198-D218 PolarHBondContact N-OD1 2.63Å; Q198-D218 VanDerWaalsContact N-OD1 3.14Å; Q198-D218 PolarHBondContact N-OD2 3.42Å; T199-D218 PolarHBondContact N-OD1 3.02Å; T199-D218 PolarHBondContact N-OD2 2.63Å; T199-D218 VanDerWaalsContact N-OD2 3.12Å; T199-D218 PolarHBondContact O-N 2.78Å; T199-D218 PolarHBondContact OG1-OD2 3.48Å
219G92.9Very high89.5Confident2 Ų254 Ų542%0.02127%0.272CS..SBendtrans-73.8-161.8-17600000114.4F195 D217 G221 G270F195-G219 VanDerWaalsContact O-CA 3.25Å; F195-G219 WeakPolarHBondContact O-CA 3.44Å; D217-G219 VanDerWaalsContact C-N 3.33Å; D217-G219 VanDerWaalsContact OD1-CA 3.31Å; D217-G219 WeakPolarHBondContact OD1-CA 3.34Å; D217-G219 PolarHBondContact OD1-N 3.13Å; G219-G221 PolarHBondContact O-N 3.19Å; G219-G270 WeakPolarHBondContact O-CA 3.3Å; G219-G270 PolarHBondContact O-N 3.43Å
220P90.8Very high88.5Confident102 Ų10248.9 Ų48.966%0.66225%0.25SC*.  trans-72.8-1417530-34.4000113.5
221G89.8Confident87.1Confident16 Ų1647.3 Ų47.317%0.16524%0.243CC..  trans71.9-173.7-169.100000112.9G219G219-G221 PolarHBondContact O-N 3.19Å
222F87.2Confident85.6Confident18 Ų1852.3 Ų52.38%0.07927%0.266CS..  trans-86.7136.8176.3-60-77.4000111.1E226 L227 A230 L247 I263 N265 A271 V273F222-E226 HydrophobicContact CB-CB 3.79Å; F222-E226 HydrophobicContact CD1-CB 3.95Å; F222-E226 HydrophobicContact CG-CB 4.34Å; F222-L227 HydrophobicContact CB-CD2 3.78Å; F222-L227 HydrophobicContact CB-CG 3.84Å; F222-L227 HydrophobicContact CD2-CD2 4.19Å; F222-L227 HydrophobicContact CG-CD2 4.3Å; F222-A230 HydrophobicContact CD1-CB 4.21Å; F222-A230 HydrophobicContact CE1-CB 4.16Å; F222-L247 HydrophobicContact CE1-CD1 4.03Å; F222-L247 HydrophobicContact CZ-CD1 4.16Å; F222-I263 HydrophobicContact CD1-CG2 4.32Å; F222-I263 HydrophobicContact CD2-CG2 3.28Å; F222-I263 HydrophobicContact CE1-CG2 4.16Å; F222-I263 HydrophobicContact CE2-CG2 3.1Å; F222-I263 HydrophobicContact CG-CG2 3.91Å; F222-I263 HydrophobicContact CZ-CG2 3.58Å; F222-N265 PolarHBondContact N-OD1 3.04Å; F222-N265 PolarHBondContact O-ND2 3.11Å; F222-A271 HydrophobicContact CD2-CB 3.52Å; F222-A271 HydrophobicContact CE2-CB 3.15Å; F222-A271 HydrophobicContact CG-CB 4.44Å; F222-A271 HydrophobicContact CZ-CB 3.86Å; F222-V273 HydrophobicContact CE2-CG2 3.98Å; F222-V273 HydrophobicContact CZ-CG2 3.79Å
223S85.4Confident83.6Confident46 Ų4654.1 Ų54.132%0.32228%0.279SS..  trans-61.9161.3164.766.30000111.4K225 E226 L227S223-K225 PolarHBondContact O-N 3.03Å; S223-K225 VanDerWaalsContact O-N 3.09Å; S223-E226 WeakPolarHBondContact CB-OE2 3.43Å; S223-E226 PolarHBondContact N-OE2 2.88Å; S223-E226 WeakPolarHBondContact O-CB 3.19Å; S223-E226 PolarHBondContact O-N 3.44Å; S223-E226 WeakPolarHBondContact OG-CB 3.48Å; S223-E226 VanDerWaalsContact OG-CD 3.27Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 3.31Å; S223-E226 PolarHBondContact OG-OE2 2.86Å; S223-L227 PolarHBondContact O-N 3.39Å
224K83.1Confident81.4Confident189 Ų18954.6 Ų54.682%0.82228%0.28SS*.THydrogen-bonded Turntrans-54.4-32.2175.5-69.1-174.9179.3-178.70113.2
225K78.6Confident79.1Confident124 Ų12452.3 Ų52.354%0.53927%0.271SS..THydrogen-bonded Turntrans-73.2-45.8177.3-164.7-179.1168.6-151.80110.1S223 L227 L228 T229 Y235S223-K225 PolarHBondContact O-N 3.03Å; S223-K225 VanDerWaalsContact O-N 3.09Å; K225-L227 PolarHBondContact O-N 3.02Å; K225-L228 PolarHBondContact O-N 3.41Å; K225-L228 VanDerWaalsContact O-N 3.13Å; K225-T229 PolarHBondContact O-N 3.47Å; K225-T229 PolarHBondContact O-OG1 3.49Å; K225-Y235 WeakPolarHBondContact CB-OH 3.48Å; K225-Y235 HydrophobicContact CD-CE2 4.29Å; K225-Y235 WeakPolarHBondContact CD-OH 2.99Å; K225-Y235 WeakPolarHBondContact CE-OH 3.47Å; K225-Y235 HydrophobicContact CG-CE2 4.28Å; K225-Y235 WeakPolarHBondContact CG-OH 3.29Å
226E81.4Confident76.9Confident43 Ų4354 Ų5420%0.20128%0.283CS..Hα-helixtrans-61.1-39176.4-77.6159.1153.800113F222 S223 L228 T229 A230 Y235F222-E226 HydrophobicContact CB-CB 3.79Å; F222-E226 HydrophobicContact CD1-CB 3.95Å; F222-E226 HydrophobicContact CG-CB 4.34Å; S223-E226 WeakPolarHBondContact CB-OE2 3.43Å; S223-E226 PolarHBondContact N-OE2 2.88Å; S223-E226 WeakPolarHBondContact O-CB 3.19Å; S223-E226 PolarHBondContact O-N 3.44Å; S223-E226 WeakPolarHBondContact OG-CB 3.48Å; S223-E226 VanDerWaalsContact OG-CD 3.27Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 3.31Å; S223-E226 PolarHBondContact OG-OE2 2.86Å; E226-L228 PolarHBondContact O-N 2.95Å; E226-T229 PolarHBondContact O-N 3.42Å; E226-A230 HydrophobicContact CB-CB 4.44Å; E226-A230 WeakPolarHBondContact O-CA 3.39Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.24Å; E226-Y235 HydrophobicContact CB-CE1 4.37Å; E226-Y235 HydrophobicContact CG-CD1 4.11Å; E226-Y235 HydrophobicContact CG-CE1 3.36Å
227L82.1Confident74.4Confident68 Ų6856.1 Ų56.136%0.35629%0.294SS..Hα-helixtrans-57.7-26.2175.8-73.1172.6000113.5F222 S223 K225 I263F222-L227 HydrophobicContact CB-CD2 3.78Å; F222-L227 HydrophobicContact CB-CG 3.84Å; F222-L227 HydrophobicContact CD2-CD2 4.19Å; F222-L227 HydrophobicContact CG-CD2 4.3Å; S223-L227 PolarHBondContact O-N 3.39Å; K225-L227 PolarHBondContact O-N 3.02Å; L227-I263 HydrophobicContact CD2-CG2 4.13Å
228L75Confident71.9Confident142 Ų14261 Ų6174%0.74332%0.32SS*.Hα-helixtrans-91.8-24178.5-63.5173.2000112.9K225 E226K225-L228 PolarHBondContact O-N 3.41Å; K225-L228 VanDerWaalsContact O-N 3.13Å; E226-L228 PolarHBondContact O-N 2.95Å
229T73.1Confident69.4Low20 Ų2067.3 Ų67.312%0.12335%0.346CS..Hα-helixtrans-129.4-1.8-165.664.90000114.3K225 E226 T231 E232 Y235K225-T229 PolarHBondContact O-N 3.47Å; K225-T229 PolarHBondContact O-OG1 3.49Å; E226-T229 PolarHBondContact O-N 3.42Å; T229-T231 VanDerWaalsContact C-N 3.27Å; T229-T231 PolarHBondContact O-N 2.79Å; T229-E232 WeakPolarHBondContact CG2-OE2 3.49Å; T229-E232 VanDerWaalsContact O-CB 3.29Å; T229-E232 WeakPolarHBondContact O-CB 3.36Å; T229-E232 PolarHBondContact O-N 3.25Å; T229-Y235 HydrophobicContact CG2-CD2 4.35Å; T229-Y235 HydrophobicContact CG2-CE2 4.32Å; T229-Y235 WeakPolarHBondContact O-CB 3.49Å; T229-Y235 WeakPolarHBondContact OG1-CD2 3.46Å; T229-Y235 WeakPolarHBondContact OG1-CE2 3.48Å; T229-Y235 VanDerWaalsContact OG1-CG 3.24Å
230A72.1Confident67Low8 Ų874.3 Ų74.37%0.06638%0.384CS..SBendtrans-69.5-23.3-172.500000113.6F222 E226 L247 I263F222-A230 HydrophobicContact CD1-CB 4.21Å; F222-A230 HydrophobicContact CE1-CB 4.16Å; E226-A230 HydrophobicContact CB-CB 4.44Å; E226-A230 WeakPolarHBondContact O-CA 3.39Å; E226-A230 WeakPolarHBondContact O-CB 3.38Å; E226-A230 PolarHBondContact O-N 3.24Å; A230-L247 HydrophobicContact CB-CD1 4.21Å; A230-L247 WeakPolarHBondContact O-CB 3.44Å; A230-I263 HydrophobicContact CB-CD1 3.63Å
231T65.8Low64.8Low29 Ų2973.6 Ų73.618%0.17838%0.381CS..SBendtrans-91.8-15.7169.973.50000112.5T229 T248 E251 L261 I263T229-T231 VanDerWaalsContact C-N 3.27Å; T229-T231 PolarHBondContact O-N 2.79Å; T231-T248 PolarHBondContact O-OG1 3.17Å; T231-E251 WeakPolarHBondContact CB-OE2 3.36Å; T231-E251 PolarHBondContact OG1-OE2 3.31Å; T231-L261 HydrophobicContact CG2-CD2 3.9Å; T231-I263 HydrophobicContact CG2-CD1 3.34Å; T231-I263 HydrophobicContact CG2-CG1 3.96Å
232E64.7Low62.9Low105 Ų10578.4 Ų78.449%0.49140%0.399SS..SBendtrans-59134.9174.5-70.5-173.7157.900108.5T229 Y234 Y235 T248T229-E232 WeakPolarHBondContact CG2-OE2 3.49Å; T229-E232 VanDerWaalsContact O-CB 3.29Å; T229-E232 WeakPolarHBondContact O-CB 3.36Å; T229-E232 PolarHBondContact O-N 3.25Å; E232-Y234 PolarHBondContact O-N 3.38Å; E232-Y234 VanDerWaalsContact O-N 3.13Å; E232-Y235 PolarHBondContact O-N 2.85Å; E232-T248 PolarHBondContact O-OG1 2.73Å
233P54.5Low61.1Low48 Ų4878.4 Ų78.431%0.31240%0.399SS..THydrogen-bonded Turntrans-48127.8176.2-22.529.4000110.5V69 Y235 T248V69-P233 HydrophobicContact CG2-CG 4.47Å; P233-Y235 PolarHBondContact O-N 3.43Å; P233-T248 WeakPolarHBondContact CA-OG1 3.27Å; P233-T248 HydrophobicContact CB-CG2 3.78Å; P233-T248 HydrophobicContact CG-CG2 3.71Å
234Y52.7Low59.9Low10 Ų1076.8 Ų76.84%0.03939%0.389CS..THydrogen-bonded Turntrans75.118165.9-49.7-95.1000115.6F73 F122 M126 E232 S236 F243 L245F73-Y234 HydrophobicContact CD1-CD1 4.39Å; F73-Y234 AromaticContact CD1-CD2 4Å; F73-Y234 HydrophobicContact CD1-CD2 4Å; F73-Y234 HydrophobicContact CD1-CE1 4.36Å; F73-Y234 HydrophobicContact CD1-CE2 4.15Å; F73-Y234 HydrophobicContact CD1-CG 4.21Å; F73-Y234 AromaticContact CE1-CD1 3.95Å; F73-Y234 HydrophobicContact CE1-CD1 3.95Å; F73-Y234 AromaticContact CE1-CD2 3.09Å; F73-Y234 HydrophobicContact CE1-CD2 3.09Å; F73-Y234 AromaticContact CE1-CE1 3.71Å; F73-Y234 HydrophobicContact CE1-CE1 3.71Å; F73-Y234 AromaticContact CE1-CE2 2.97Å; F73-Y234 HydrophobicContact CE1-CE2 2.97Å; F73-Y234 AromaticContact CE1-CG 3.68Å; F73-Y234 HydrophobicContact CE1-CG 3.68Å; F73-Y234 AromaticContact CE1-CZ 3.25Å; F73-Y234 AromaticContact CZ-CD2 3.76Å; F73-Y234 HydrophobicContact CZ-CD2 3.76Å; F73-Y234 AromaticContact CZ-CE2 3.31Å; F73-Y234 HydrophobicContact CZ-CE2 3.31Å; F73-Y234 AromaticContact CZ-CZ 3.76Å; F122-Y234 AromaticContact CD2-CD1 3.54Å; F122-Y234 HydrophobicContact CD2-CD1 3.54Å; F122-Y234 AromaticContact CD2-CE1 3.47Å; F122-Y234 HydrophobicContact CD2-CE1 3.47Å; F122-Y234 VanDerWaalsContact CD2-CE1 3.47Å; F122-Y234 AromaticContact CE2-CD1 3.27Å; F122-Y234 HydrophobicContact CE2-CD1 3.27Å; F122-Y234 AromaticContact CE2-CE1 3.24Å; F122-Y234 HydrophobicContact CE2-CE1 3.24Å; F122-Y234 HydrophobicContact CE2-CG 4.23Å; F122-Y234 HydrophobicContact CG-CE1 4.47Å; F122-Y234 HydrophobicContact CZ-CD1 4.39Å; F122-Y234 HydrophobicContact CZ-CE1 4.09Å; M126-Y234 HydrophobicContact CE-CE1 4.32Å; M126-Y234 WeakPolarHBondContact CE-OH 3.35Å; M126-Y234 PolarHBondContact SD-OH 2.82Å; E232-Y234 PolarHBondContact O-N 3.38Å; E232-Y234 VanDerWaalsContact O-N 3.13Å; Y234-S236 PolarHBondContact O-N 3.37Å; Y234-F243 AromaticContact CD1-CD1 3.95Å; Y234-F243 HydrophobicContact CD1-CD1 3.95Å; Y234-F243 HydrophobicContact CD1-CE1 4.26Å; Y234-L245 HydrophobicContact CD1-CD1 3.63Å; Y234-L245 HydrophobicContact CD1-CD2 3.46Å; Y234-L245 VanDerWaalsContact CD1-CD2 3.46Å; Y234-L245 HydrophobicContact CD1-CG 3.92Å; Y234-L245 HydrophobicContact CD2-CD2 3.76Å; Y234-L245 HydrophobicContact CE1-CD1 3.36Å; Y234-L245 HydrophobicContact CE1-CD2 3.37Å; Y234-L245 HydrophobicContact CE1-CG 3.92Å; Y234-L245 HydrophobicContact CE2-CD2 3.53Å; Y234-L245 HydrophobicContact CG-CD2 3.66Å; Y234-L245 HydrophobicContact CG-CG 4.45Å
235Y48.7Very low59.1Low35 Ų3568.2 Ų68.214%0.13735%0.352CS..  trans-77.8103.4171-166.9-86.3000112.5K225 E226 T229 E232 P233 Q237 G244K225-Y235 WeakPolarHBondContact CB-OH 3.48Å; K225-Y235 HydrophobicContact CD-CE2 4.29Å; K225-Y235 WeakPolarHBondContact CD-OH 2.99Å; K225-Y235 WeakPolarHBondContact CE-OH 3.47Å; K225-Y235 HydrophobicContact CG-CE2 4.28Å; K225-Y235 WeakPolarHBondContact CG-OH 3.29Å; E226-Y235 HydrophobicContact CB-CE1 4.37Å; E226-Y235 HydrophobicContact CG-CD1 4.11Å; E226-Y235 HydrophobicContact CG-CE1 3.36Å; T229-Y235 HydrophobicContact CG2-CD2 4.35Å; T229-Y235 HydrophobicContact CG2-CE2 4.32Å; T229-Y235 WeakPolarHBondContact O-CB 3.49Å; T229-Y235 WeakPolarHBondContact OG1-CD2 3.46Å; T229-Y235 WeakPolarHBondContact OG1-CE2 3.48Å; T229-Y235 VanDerWaalsContact OG1-CG 3.24Å; E232-Y235 PolarHBondContact O-N 2.85Å; P233-Y235 PolarHBondContact O-N 3.43Å; Y235-Q237 HydrophobicContact CE1-CG 3.78Å; Y235-Q237 PolarHBondContact OH-NE2 3.43Å; Y235-G244 WeakPolarHBondContact O-CA 3.44Å
236S49.1Very low59.1Low39 Ų3963.4 Ų63.427%0.27334%0.338SS..  trans-136.6120.3163.7179.50000111Y234 N238 H242Y234-S236 PolarHBondContact O-N 3.37Å; S236-N238 VanDerWaalsContact C-N 3.3Å; S236-N238 PolarHBondContact OG-N 3.3Å; S236-N238 PolarHBondContact OG-O 3.46Å; S236-N238 VanDerWaalsContact OG-O 3.05Å; S236-H242 PolarHBondContact OG-O 3.15Å
237Q44.5Very low59.3Low104 Ų10461.8 Ų61.849%0.48633%0.331SS..SBendtrans-76.6-20.7169.8-68.2-144.936.400112.5Y235 K239Y235-Q237 HydrophobicContact CE1-CG 3.78Å; Y235-Q237 PolarHBondContact OH-NE2 3.43Å; Q237-K239 PolarHBondContact O-N 2.76Å
238N43.7Very low59.2Low107 Ų10758.9 Ų58.957%0.57232%0.316SS*.  trans-94.8104.2-178.1-78.9-22.9000110.6S236 N240S236-N238 VanDerWaalsContact C-N 3.3Å; S236-N238 PolarHBondContact OG-N 3.3Å; S236-N238 PolarHBondContact OG-O 3.46Å; S236-N238 VanDerWaalsContact OG-O 3.05Å; N238-N240 PolarHBondContact O-N 3.31Å
239K42.9Very low59.5Low158 Ų15852.6 Ų52.669%0.68728%0.283SS*.THydrogen-bonded Turntrans-58.3-0.3-178.3-71.4-177.8175.21790115.9R118 Q237R118-K239 PolarHBondContact NH1-O 2.86Å; Q237-K239 PolarHBondContact O-N 2.76Å
240N42.5Very low60.3Low150 Ų15051.6 Ų51.680%0.80228%0.277SS*.THydrogen-bonded Turntrans-121.30.2-154.6-81.56.7000119N238N238-N240 PolarHBondContact O-N 3.31Å
241S43.1Very low61Low86 Ų8653.3 Ų53.360%0.60128%0.284SS*.SBendtrans-161.3-30.6173.1171.90000119.2
242H51.2Low62Low118 Ų11853.2 Ų53.255%0.54629%0.286SS..  trans-151.6135.5175.7-74.6-80000108S236 G244S236-H242 PolarHBondContact OG-O 3.15Å; H242-G244 PolarHBondContact O-N 3.36Å
243F50Low63.1Low18 Ų1848.3 Ų48.38%0.07926%0.263CS..  trans-67.619.2-166.4-121.6-80.3000115.3D76 R118 F122 Y234 L245D76-F243 HydrophobicContact CB-CE1 3.88Å; D76-F243 HydrophobicContact CB-CZ 4.12Å; R118-F243 HydrophobicContact CG-CD2 3.89Å; R118-F243 HydrophobicContact CG-CE2 3.34Å; R118-F243 HydrophobicContact CG-CZ 4.26Å; R118-F243 WeakPolarHBondContact O-CE2 3.44Å; F122-F243 HydrophobicContact CB-CD2 4.12Å; F122-F243 HydrophobicContact CB-CE2 3.76Å; F122-F243 HydrophobicContact CB-CZ 4.27Å; F122-F243 HydrophobicContact CD2-CD1 4.25Å; F122-F243 HydrophobicContact CD2-CD2 4.43Å; F122-F243 AromaticContact CD2-CE1 3.82Å; F122-F243 HydrophobicContact CD2-CE1 3.82Å; F122-F243 AromaticContact CD2-CE2 3.99Å; F122-F243 HydrophobicContact CD2-CE2 3.99Å; F122-F243 AromaticContact CD2-CZ 3.67Å; F122-F243 HydrophobicContact CD2-CZ 3.67Å; F122-F243 HydrophobicContact CE2-CE1 4.35Å; F122-F243 HydrophobicContact CE2-CZ 4.45Å; F122-F243 HydrophobicContact CG-CE2 4.3Å; F122-F243 HydrophobicContact CG-CZ 4.32Å; Y234-F243 AromaticContact CD1-CD1 3.95Å; Y234-F243 HydrophobicContact CD1-CD1 3.95Å; Y234-F243 HydrophobicContact CD1-CE1 4.26Å; F243-L245 HydrophobicContact CB-CD1 3.43Å; F243-L245 VanDerWaalsContact CB-CD1 3.43Å; F243-L245 HydrophobicContact CB-CG 3.8Å; F243-L245 HydrophobicContact CG-CD1 4.14Å; F243-L245 PolarHBondContact O-N 3.01Å; F243-L245 VanDerWaalsContact O-N 3.14Å
244G59.8Low64.9Low12 Ų1246 Ų4612%0.12425%0.248CC..SBendtrans67.78.3-173.700000113Y235 H242Y235-G244 WeakPolarHBondContact O-CA 3.44Å; H242-G244 PolarHBondContact O-N 3.36Å
245L65.5Low66.7Low8 Ų850.6 Ų50.64%0.04227%0.27CS..Hα-helixtrans-80.2-19.4-169.8-72.7164000114.4T125 Y234 F243 L247 T248 I249T125-L245 HydrophobicContact CG2-CB 3.83Å; T125-L245 HydrophobicContact CG2-CD1 3.39Å; T125-L245 HydrophobicContact CG2-CD2 4.13Å; T125-L245 HydrophobicContact CG2-CG 3.95Å; Y234-L245 HydrophobicContact CD1-CD1 3.63Å; Y234-L245 HydrophobicContact CD1-CD2 3.46Å; Y234-L245 VanDerWaalsContact CD1-CD2 3.46Å; Y234-L245 HydrophobicContact CD1-CG 3.92Å; Y234-L245 HydrophobicContact CD2-CD2 3.76Å; Y234-L245 HydrophobicContact CE1-CD1 3.36Å; Y234-L245 HydrophobicContact CE1-CD2 3.37Å; Y234-L245 HydrophobicContact CE1-CG 3.92Å; Y234-L245 HydrophobicContact CE2-CD2 3.53Å; Y234-L245 HydrophobicContact CG-CD2 3.66Å; Y234-L245 HydrophobicContact CG-CG 4.45Å; F243-L245 HydrophobicContact CB-CD1 3.43Å; F243-L245 VanDerWaalsContact CB-CD1 3.43Å; F243-L245 HydrophobicContact CB-CG 3.8Å; F243-L245 HydrophobicContact CG-CD1 4.14Å; F243-L245 PolarHBondContact O-N 3.01Å; F243-L245 VanDerWaalsContact O-N 3.14Å; L245-L247 PolarHBondContact O-N 2.93Å; L245-T248 WeakPolarHBondContact O-CB 3.35Å; L245-T248 PolarHBondContact O-N 2.86Å; L245-I249 WeakPolarHBondContact O-CG1 3.47Å; L245-I249 PolarHBondContact O-N 3.32Å
246G78.1Confident68.6Low24 Ų2452.5 Ų52.525%0.24728%0.279CS..Hα-helixtrans-56.4-41.6-178.500000111.9N187 I249 A250N187-G246 WeakPolarHBondContact CB-O 3.43Å; N187-G246 VanDerWaalsContact OD1-CA 3.25Å; N187-G246 WeakPolarHBondContact OD1-CA 3.42Å; G246-I249 PolarHBondContact O-N 3.35Å; G246-A250 WeakPolarHBondContact O-CB 3.37Å; G246-A250 PolarHBondContact O-N 2.84Å
247L85.8Confident70.6Confident8 Ų850.8 Ų50.84%0.04227%0.266CS..Hα-helixtrans-72-33.7177.4-64.1176.8000112.6L188 F222 A230 L245 A250 E251 L261 I263 V273L188-L247 HydrophobicContact CD2-CD2 3.64Å; F222-L247 HydrophobicContact CE1-CD1 4.03Å; F222-L247 HydrophobicContact CZ-CD1 4.16Å; A230-L247 HydrophobicContact CB-CD1 4.21Å; A230-L247 WeakPolarHBondContact O-CB 3.44Å; L245-L247 PolarHBondContact O-N 2.93Å; L247-A250 PolarHBondContact O-N 3.43Å; L247-E251 WeakPolarHBondContact O-CB 3.3Å; L247-E251 PolarHBondContact O-N 2.97Å; L247-L261 HydrophobicContact CB-CD2 4.36Å; L247-L261 HydrophobicContact CD2-CD2 4.31Å; L247-L261 WeakPolarHBondContact O-CD2 3.43Å; L247-I263 HydrophobicContact CD1-CD1 3.85Å; L247-V273 HydrophobicContact CD2-CG1 4.02Å; L247-V273 HydrophobicContact CD2-CG2 4.22Å
248T81Confident72.8Confident8 Ų848 Ų485%0.04927%0.266CS..Hα-helixtrans-64.2-46.7172.8-51.20000111.8T231 E232 P233 L245 A250 E251 A252T231-T248 PolarHBondContact O-OG1 3.17Å; E232-T248 PolarHBondContact O-OG1 2.73Å; P233-T248 WeakPolarHBondContact CA-OG1 3.27Å; P233-T248 HydrophobicContact CB-CG2 3.78Å; P233-T248 HydrophobicContact CG-CG2 3.71Å; L245-T248 WeakPolarHBondContact O-CB 3.35Å; L245-T248 PolarHBondContact O-N 2.86Å; T248-A250 VanDerWaalsContact C-N 3.34Å; T248-E251 PolarHBondContact O-N 3.17Å; T248-A252 PolarHBondContact O-N 3.38Å
249I80.3Confident75.1Confident9 Ų943.9 Ų43.95%0.04625%0.249CC..Hα-helixtrans-63.1-46177.1-62.9167.9000109.2T125 L132 L245 G246 E251 A252 L253T125-I249 HydrophobicContact CG2-CD1 3.77Å; T125-I249 HydrophobicContact CG2-CG1 4.19Å; L132-I249 HydrophobicContact CD1-CG2 4.16Å; L245-I249 WeakPolarHBondContact O-CG1 3.47Å; L245-I249 PolarHBondContact O-N 3.32Å; G246-I249 PolarHBondContact O-N 3.35Å; I249-E251 VanDerWaalsContact C-N 3.32Å; I249-E251 PolarHBondContact O-N 2.84Å; I249-A252 PolarHBondContact O-N 3.01Å; I249-L253 HydrophobicContact CG2-CD1 3.77Å; I249-L253 HydrophobicContact CG2-CG 4.18Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.38Å; I249-L253 PolarHBondContact O-N 3.28Å
250A89.7Confident77.5Confident0 Ų040.6 Ų40.60%024%0.236CC..Hα-helixtrans-56.7-43.9176.300000112.4V184 N187 L188 G246 L247 T248 A254 L261V184-A250 HydrophobicContact CG1-CB 3.94Å; N187-A250 HydrophobicContact CB-CB 4.14Å; L188-A250 HydrophobicContact CD2-CB 3.98Å; G246-A250 WeakPolarHBondContact O-CB 3.37Å; G246-A250 PolarHBondContact O-N 2.84Å; L247-A250 PolarHBondContact O-N 3.43Å; T248-A250 VanDerWaalsContact C-N 3.34Å; A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.28Å; A250-A254 PolarHBondContact O-N 3.14Å; A250-L261 HydrophobicContact CB-CD1 4.37Å; A250-L261 HydrophobicContact CB-CD2 4.15Å
251E88.6Confident79.9Confident44 Ų4434 Ų3421%0.20620%0.201CC..Hα-helixtrans-62.3-49175.7179.7171.1-139.900111.6T231 L247 T248 I249 L253 A254 Q255 L261T231-E251 WeakPolarHBondContact CB-OE2 3.36Å; T231-E251 PolarHBondContact OG1-OE2 3.31Å; L247-E251 WeakPolarHBondContact O-CB 3.3Å; L247-E251 PolarHBondContact O-N 2.97Å; T248-E251 PolarHBondContact O-N 3.17Å; I249-E251 VanDerWaalsContact C-N 3.32Å; I249-E251 PolarHBondContact O-N 2.84Å; E251-L253 PolarHBondContact O-N 3.05Å; E251-A254 PolarHBondContact O-N 2.94Å; E251-Q255 HydrophobicContact CG-CG 4.35Å; E251-Q255 WeakPolarHBondContact O-CB 3.39Å; E251-Q255 VanDerWaalsContact O-CG 3.3Å; E251-Q255 WeakPolarHBondContact O-CG 3.38Å; E251-Q255 PolarHBondContact O-N 3.16Å; E251-Q255 PolarHBondContact OE1-NE2 3.09Å; E251-L261 HydrophobicContact CB-CB 3.91Å; E251-L261 HydrophobicContact CB-CD2 4.03Å; E251-L261 HydrophobicContact CG-CB 4.19Å
252A84.8Confident82.2Confident27 Ų2735.4 Ų35.422%0.22320%0.196CC..Hα-helixtrans-61.5-42.7-179.400000112.2L129 L132 T248 I249 K256L129-A252 HydrophobicContact CD1-CB 4.22Å; L132-A252 HydrophobicContact CD2-CB 3.6Å; T248-A252 PolarHBondContact O-N 3.38Å; I249-A252 PolarHBondContact O-N 3.01Å; A252-K256 WeakPolarHBondContact O-CB 3.46Å; A252-K256 PolarHBondContact O-N 3.23Å
253L89.1Confident84.2Confident1 Ų131.3 Ų31.31%0.00518%0.177CC..Hα-helixtrans-66.3-45.9175.7-69173.6000111.7L132 L180 E183 V184 I249 E251 Q255 K256 H257L132-L253 HydrophobicContact CD1-CD2 3.83Å; L132-L253 HydrophobicContact CD1-CG 4.27Å; L132-L253 HydrophobicContact CD2-CD2 3.43Å; L132-L253 VanDerWaalsContact CD2-CD2 3.43Å; L132-L253 HydrophobicContact CD2-CG 3.76Å; L132-L253 HydrophobicContact CG-CD2 3.6Å; L132-L253 HydrophobicContact CG-CG 4.3Å; L180-L253 HydrophobicContact CD1-CD2 4.25Å; L180-L253 HydrophobicContact CD2-CB 3.91Å; L180-L253 WeakPolarHBondContact CD2-O 3.39Å; L180-L253 HydrophobicContact CG-CB 4.03Å; L180-L253 HydrophobicContact CG-CD2 3.97Å; L180-L253 HydrophobicContact CG-CG 4.47Å; E183-L253 HydrophobicContact CB-CD1 3.82Å; E183-L253 VanDerWaalsContact CD-CD1 3.49Å; E183-L253 HydrophobicContact CG-CD1 3.56Å; V184-L253 HydrophobicContact CG2-CB 3.4Å; V184-L253 VanDerWaalsContact CG2-CB 3.4Å; V184-L253 HydrophobicContact CG2-CD1 3.84Å; V184-L253 HydrophobicContact CG2-CG 4.28Å; I249-L253 HydrophobicContact CG2-CD1 3.77Å; I249-L253 HydrophobicContact CG2-CG 4.18Å; I249-L253 WeakPolarHBondContact O-CB 3.49Å; I249-L253 WeakPolarHBondContact O-CG 3.38Å; I249-L253 PolarHBondContact O-N 3.28Å; E251-L253 PolarHBondContact O-N 3.05Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 2.71Å; L253-K256 WeakPolarHBondContact O-CB 3.4Å; L253-K256 PolarHBondContact O-N 2.89Å; L253-K256 VanDerWaalsContact O-N 3.17Å; L253-H257 PolarHBondContact O-N 3.49Å
254A92.1Very high86.3Confident0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-60.4-43.117800000111.7A250 E251 H257 G258 G259 F277A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.28Å; A250-A254 PolarHBondContact O-N 3.14Å; E251-A254 PolarHBondContact O-N 2.94Å; A254-H257 PolarHBondContact O-N 3.4Å; A254-G258 PolarHBondContact O-N 3.36Å; A254-G259 CarbonylContact O-C 3.52Å; A254-G259 PolarHBondContact O-N 3.15Å; A254-F277 HydrophobicContact CB-CE1 4.15Å
255Q89.8Confident87.8Confident107 Ų10735 Ų3550%0.520%0.201SC..Hα-helixtrans-62.1-43.9173.6-72.4178.65.200111.8E251 L253 H257 G258 G259E251-Q255 HydrophobicContact CG-CG 4.35Å; E251-Q255 WeakPolarHBondContact O-CB 3.39Å; E251-Q255 VanDerWaalsContact O-CG 3.3Å; E251-Q255 WeakPolarHBondContact O-CG 3.38Å; E251-Q255 PolarHBondContact O-N 3.16Å; E251-Q255 PolarHBondContact OE1-NE2 3.09Å; L253-Q255 VanDerWaalsContact C-N 3.33Å; L253-Q255 PolarHBondContact O-N 2.71Å; Q255-H257 PolarHBondContact O-N 3.24Å; Q255-G258 PolarHBondContact O-N 2.82Å; Q255-G259 WeakPolarHBondContact CA-O 3.41Å
256K88.5Confident89Confident74 Ų7435.8 Ų35.832%0.32221%0.208SC..Hα-helixtrans-58.2-36.2176.4-170.898.6-177-1560112.4L132 E133 R135 L180 A252 L253 G258L132-K256 PolarHBondContact O-NZ 3.12Å; E133-K256 PolarHBondContact O-NZ 2.72Å; R135-K256 WeakPolarHBondContact O-CE 3.44Å; R135-K256 PolarHBondContact O-NZ 3.31Å; L180-K256 HydrophobicContact CD1-CB 4.36Å; L180-K256 HydrophobicContact CD1-CG 4.38Å; A252-K256 WeakPolarHBondContact O-CB 3.46Å; A252-K256 PolarHBondContact O-N 3.23Å; L253-K256 WeakPolarHBondContact O-CB 3.4Å; L253-K256 PolarHBondContact O-N 2.89Å; L253-K256 VanDerWaalsContact O-N 3.17Å; K256-G258 PolarHBondContact O-N 3.43Å
257H91.6Very high89.5Confident3 Ų343.1 Ų43.11%0.01424%0.24CC..Hα-helixtrans-75.8-12.9177.5-160.1-78.4000113.3D177 L180 L253 A254 Q255 F277 L278D177-H257 PolarHBondContact N-NE2 3.01Å; L180-H257 HydrophobicContact CD1-CB 4.34Å; L180-H257 HydrophobicContact CD2-CB 3.9Å; L253-H257 PolarHBondContact O-N 3.49Å; A254-H257 PolarHBondContact O-N 3.4Å; Q255-H257 PolarHBondContact O-N 3.24Å; H257-F277 HydrophobicContact CB-CD1 3.88Å; H257-F277 AromaticContact CG-CD1 3.85Å; H257-L278 PolarHBondContact CE1-O 3.23Å; H257-L278 VanDerWaalsContact CE1-O 3.22Å; H257-L278 PolarHBondContact ND1-N 2.93Å; H257-L278 PolarHBondContact ND1-O 3.43Å
258G90.6Very high89.3Confident47 Ų4749.6 Ų49.649%0.48528%0.275SS..THydrogen-bonded Turntrans103.415.3179.400000114.3A254 Q255 K256A254-G258 PolarHBondContact O-N 3.36Å; Q255-G258 PolarHBondContact O-N 2.82Å; K256-G258 PolarHBondContact O-N 3.43Å
259G91.6Very high89.5Confident20 Ų2052 Ų5221%0.20629%0.292CS..  trans-121.9-142.5175.100000113A254 Q255 V276A254-G259 CarbonylContact O-C 3.52Å; A254-G259 PolarHBondContact O-N 3.15Å; Q255-G259 WeakPolarHBondContact CA-O 3.41Å; G259-V276 VanDerWaalsContact CA-O 3.25Å; G259-V276 WeakPolarHBondContact CA-O 3.41Å
260Q93.1Very high90.1Very high89 Ų8951.7 Ų51.742%0.41629%0.291SS..EExtended strand (participates in β ladder)trans-160.1159.8-173.464.6-170.9-21.900111.3K262 V276Q260-K262 VanDerWaalsContact CD-CE 3.49Å; Q260-K262 HydrophobicContact CG-CG 4.47Å; Q260-V276 HydrophobicContact CG-CB 4.26Å; Q260-V276 HydrophobicContact CG-CG2 4.18Å; Q260-V276 PolarHBondContact N-O 3.4Å; Q260-V276 PolarHBondContact O-N 2.91Å
261L93.1Very high90.3Very high11 Ų1151.9 Ų51.96%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-102.1140.7167.9-163.374.7000109.7L188 T231 L247 A250 E251 V273 S274 A275L188-L261 HydrophobicContact CD1-CD1 4.31Å; L188-L261 HydrophobicContact CD2-CD1 3.99Å; T231-L261 HydrophobicContact CG2-CD2 3.9Å; L247-L261 HydrophobicContact CB-CD2 4.36Å; L247-L261 HydrophobicContact CD2-CD2 4.31Å; L247-L261 WeakPolarHBondContact O-CD2 3.43Å; A250-L261 HydrophobicContact CB-CD1 4.37Å; A250-L261 HydrophobicContact CB-CD2 4.15Å; E251-L261 HydrophobicContact CB-CB 3.91Å; E251-L261 HydrophobicContact CB-CD2 4.03Å; E251-L261 HydrophobicContact CG-CB 4.19Å; L261-V273 HydrophobicContact CD1-CG1 3.71Å; L261-V273 HydrophobicContact CD2-CG1 4.19Å; L261-V273 HydrophobicContact CG-CG1 3.96Å; L261-S274 CarbonylContact C-O 3.59Å; L261-S274 WeakPolarHBondContact CA-O 3.33Å; L261-A275 HydrophobicContact CD1-CB 3.82Å
262K92.6Very high90.6Very high115 Ų11551.9 Ų51.950%0.529%0.294SS..EExtended strand (participates in β ladder)trans-129.6147.7169.7-56.4-177.3178.5176.50110.4Q260 V273 S274Q260-K262 VanDerWaalsContact CD-CE 3.49Å; Q260-K262 HydrophobicContact CG-CG 4.47Å; K262-V273 CarbonylContact O-C 3.55Å; K262-V273 WeakPolarHBondContact O-CA 3.44Å; K262-S274 WeakPolarHBondContact CB-OG 3.36Å; K262-S274 PolarHBondContact N-O 3.22Å; K262-S274 PolarHBondContact O-N 3.43Å
263I92.6Very high91.1Very high32 Ų3250.8 Ų50.816%0.16429%0.285CS..EExtended strand (participates in β ladder)trans-127135.9-179.2-59.2-175.9000108.8F222 L227 A230 T231 L247 I272 V273F222-I263 HydrophobicContact CD1-CG2 4.32Å; F222-I263 HydrophobicContact CD2-CG2 3.28Å; F222-I263 HydrophobicContact CE1-CG2 4.16Å; F222-I263 HydrophobicContact CE2-CG2 3.1Å; F222-I263 HydrophobicContact CG-CG2 3.91Å; F222-I263 HydrophobicContact CZ-CG2 3.58Å; L227-I263 HydrophobicContact CD2-CG2 4.13Å; A230-I263 HydrophobicContact CB-CD1 3.63Å; T231-I263 HydrophobicContact CG2-CD1 3.34Å; T231-I263 HydrophobicContact CG2-CG1 3.96Å; L247-I263 HydrophobicContact CD1-CD1 3.85Å; I263-I272 WeakPolarHBondContact CA-O 3.26Å; I263-V273 HydrophobicContact CG1-CG1 4.21Å; I263-V273 HydrophobicContact CG1-CG2 4.34Å
264A93.2Very high91.4Very high44 Ų4451.4 Ų51.436%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-147.9171.2174.600000110.3I272A264-I272 PolarHBondContact N-O 3.18Å; A264-I272 PolarHBondContact O-N 3.43Å; A264-I272 VanDerWaalsContact O-O 3.09Å
265N93Very high91.7Very high63 Ų6351.4 Ų51.434%0.33729%0.289SS..EExtended strand (participates in β ladder)trans-101.1146.4163.1-72.4-20000109.5F222 G270F222-N265 PolarHBondContact N-OD1 3.04Å; F222-N265 PolarHBondContact O-ND2 3.11Å; N265-G270 WeakPolarHBondContact CA-O 3.18Å
266S90.3Very high92Very high25 Ų2546.9 Ų46.918%0.17527%0.269CS..  trans-69.3155.4169.9-165.70000110.8D268 S269 G270S266-D268 VanDerWaalsContact C-N 3.33Å; S266-S269 VanDerWaalsContact CB-O 3.24Å; S266-S269 WeakPolarHBondContact CB-O 2.76Å; S266-G270 PolarHBondContact N-O 3.44Å
267L87.6Confident92.4Very high178 Ų17843.4 Ų43.493%0.93225%0.253SS*.SBendtrans-67.3-34.6175-67.8173000112.1
268D83Confident92.5Very high145 Ų14546 Ų4678%0.77527%0.267SS*.SBendtrans-91.3-36.7-172.1-59.7-42.4000112.9S266S266-D268 VanDerWaalsContact C-N 3.33Å
269S84.9Confident92.6Very high57 Ų5744.2 Ų44.240%0.39925%0.246SC..SBendtrans170.3158.4166.352.60000110S266S266-S269 VanDerWaalsContact CB-O 3.24Å; S266-S269 WeakPolarHBondContact CB-O 2.76Å
270G91.5Very high92.4Very high4 Ų448.5 Ų48.54%0.04127%0.265CS..SBendtrans87.7-178.5170.900000114.9D217 G219 N265 S266D217-G270 WeakPolarHBondContact O-CA 3.38Å; G219-G270 WeakPolarHBondContact O-CA 3.3Å; G219-G270 PolarHBondContact O-N 3.43Å; N265-G270 WeakPolarHBondContact CA-O 3.18Å; S266-G270 PolarHBondContact N-O 3.44Å
271A94Very high92.4Very high4 Ų446.5 Ų46.53%0.03326%0.257CS..EExtended strand (participates in β ladder)trans-100.3149.3-17400000111.1K216 D217 F222K216-A271 CarbonylContact C-O 3.6Å; K216-A271 VanDerWaalsContact CA-O 3.24Å; K216-A271 WeakPolarHBondContact CA-O 3.33Å; D217-A271 PolarHBondContact N-O 3.47Å; D217-A271 PolarHBondContact OD1-N 2.87Å; D217-A271 WeakPolarHBondContact OD2-CB 3.46Å; F222-A271 HydrophobicContact CD2-CB 3.52Å; F222-A271 HydrophobicContact CE2-CB 3.15Å; F222-A271 HydrophobicContact CG-CB 4.44Å; F222-A271 HydrophobicContact CZ-CB 3.86Å
272I95.1Very high92.3Very high44 Ų4448.4 Ų48.423%0.22627%0.268CS..EExtended strand (participates in β ladder)trans-126.2123171.9-57.9177.7000107.8V215 K216 I263 A264V215-I272 WeakPolarHBondContact O-CA 3.39Å; K216-I272 HydrophobicContact CB-CG1 3.99Å; K216-I272 HydrophobicContact CD-CD1 4.43Å; K216-I272 HydrophobicContact CD-CG1 4.36Å; K216-I272 HydrophobicContact CG-CD1 4.49Å; K216-I272 HydrophobicContact CG-CG1 3.9Å; I263-I272 WeakPolarHBondContact CA-O 3.26Å; A264-I272 PolarHBondContact N-O 3.18Å; A264-I272 PolarHBondContact O-N 3.43Å; A264-I272 VanDerWaalsContact O-O 3.09Å
273V95.9Very high92.3Very high4 Ų444.7 Ų44.72%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-119.5127.8171.4-172.20000108.9L188 V215 F222 L247 L261 K262 I263L188-V273 HydrophobicContact CD1-CG1 4.15Å; L188-V273 HydrophobicContact CD2-CB 4.3Å; L188-V273 HydrophobicContact CD2-CG1 3.57Å; L188-V273 HydrophobicContact CG-CG1 4.46Å; V215-V273 PolarHBondContact N-O 3.37Å; V215-V273 PolarHBondContact O-N 3.07Å; F222-V273 HydrophobicContact CE2-CG2 3.98Å; F222-V273 HydrophobicContact CZ-CG2 3.79Å; L247-V273 HydrophobicContact CD2-CG1 4.02Å; L247-V273 HydrophobicContact CD2-CG2 4.22Å; L261-V273 HydrophobicContact CD1-CG1 3.71Å; L261-V273 HydrophobicContact CD2-CG1 4.19Å; L261-V273 HydrophobicContact CG-CG1 3.96Å; K262-V273 CarbonylContact O-C 3.55Å; K262-V273 WeakPolarHBondContact O-CA 3.44Å; I263-V273 HydrophobicContact CG1-CG1 4.21Å; I263-V273 HydrophobicContact CG1-CG2 4.34Å
274S95.7Very high92.3Very high13 Ų1345.4 Ų45.49%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-118.8124.1177.669.70000111.4I213 Y214 L261 K262I213-S274 CarbonylContact O-C 3.56Å; I213-S274 VanDerWaalsContact O-CA 3.25Å; I213-S274 WeakPolarHBondContact O-CA 3.34Å; Y214-S274 VanDerWaalsContact CD1-CB 3.5Å; L261-S274 CarbonylContact C-O 3.59Å; L261-S274 WeakPolarHBondContact CA-O 3.33Å; K262-S274 WeakPolarHBondContact CB-OG 3.36Å; K262-S274 PolarHBondContact N-O 3.22Å; K262-S274 PolarHBondContact O-N 3.43Å
275A97.3Very high92.2Very high0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-101.8131.6169.900000110.4V184 L188 I212 I213 L261 F277V184-A275 HydrophobicContact CG1-CB 3.72Å; L188-A275 HydrophobicContact CD1-CB 3.93Å; I212-A275 CarbonylContact C-O 3.47Å; I212-A275 WeakPolarHBondContact CA-O 2.88Å; I213-A275 PolarHBondContact N-O 2.8Å; I213-A275 PolarHBondContact O-N 2.93Å; L261-A275 HydrophobicContact CD1-CB 3.82Å; A275-F277 HydrophobicContact CB-CE2 3.63Å; A275-F277 HydrophobicContact CB-CZ 3.69Å
276V96.9Very high92.2Very high13 Ų1344.3 Ų44.38%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-110.6139.4177.2-176.20000108.7L210 V211 I212 G259 Q260L210-V276 HydrophobicContact CB-CG1 4.22Å; L210-V276 HydrophobicContact CD1-CG1 4.27Å; L210-V276 HydrophobicContact CD2-CG1 4.02Å; L210-V276 HydrophobicContact CG-CG1 4.41Å; V211-V276 CarbonylContact O-C 3.58Å; V211-V276 WeakPolarHBondContact O-CA 3.21Å; I212-V276 HydrophobicContact CG1-CG1 4.4Å; I212-V276 HydrophobicContact CG1-CG2 4.31Å; I212-V276 HydrophobicContact CG2-CG2 4.08Å; G259-V276 VanDerWaalsContact CA-O 3.25Å; G259-V276 WeakPolarHBondContact CA-O 3.41Å; Q260-V276 HydrophobicContact CG-CB 4.26Å; Q260-V276 HydrophobicContact CG-CG2 4.18Å; Q260-V276 PolarHBondContact N-O 3.4Å; Q260-V276 PolarHBondContact O-N 2.91Å
277F96.5Very high92.3Very high0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-134.5141179.9-56.8-78.4000110.5L180 I181 V184 L210 V211 I213 A254 H257 A275L180-F277 HydrophobicContact CD2-CD1 4.47Å; L180-F277 HydrophobicContact CD2-CE1 4.08Å; I181-F277 HydrophobicContact CB-CZ 4.43Å; I181-F277 HydrophobicContact CD1-CB 4.08Å; I181-F277 HydrophobicContact CD1-CD1 4.15Å; I181-F277 HydrophobicContact CD1-CD2 4.15Å; I181-F277 HydrophobicContact CD1-CG 3.86Å; I181-F277 HydrophobicContact CG1-CD1 3.71Å; I181-F277 HydrophobicContact CG1-CD2 4.23Å; I181-F277 HydrophobicContact CG1-CE1 3.81Å; I181-F277 HydrophobicContact CG1-CE2 4.33Å; I181-F277 HydrophobicContact CG1-CG 3.91Å; I181-F277 HydrophobicContact CG1-CZ 4.11Å; I181-F277 HydrophobicContact CG2-CD2 4.45Å; I181-F277 HydrophobicContact CG2-CE2 4.05Å; I181-F277 HydrophobicContact CG2-CZ 4.15Å; V184-F277 HydrophobicContact CB-CE1 4.28Å; V184-F277 HydrophobicContact CB-CZ 3.79Å; V184-F277 HydrophobicContact CG1-CE1 4.41Å; V184-F277 HydrophobicContact CG1-CZ 3.68Å; V184-F277 HydrophobicContact CG2-CE1 3.98Å; V184-F277 HydrophobicContact CG2-CZ 4Å; L210-F277 WeakPolarHBondContact CA-O 3.14Å; V211-F277 PolarHBondContact N-O 3.4Å; V211-F277 PolarHBondContact O-N 2.89Å; I213-F277 HydrophobicContact CD1-CD2 4.48Å; I213-F277 HydrophobicContact CD1-CE2 3.87Å; I213-F277 HydrophobicContact CG1-CE2 4.22Å; A254-F277 HydrophobicContact CB-CE1 4.15Å; H257-F277 HydrophobicContact CB-CD1 3.88Å; H257-F277 AromaticContact CG-CD1 3.85Å; A275-F277 HydrophobicContact CB-CE2 3.63Å; A275-F277 HydrophobicContact CB-CZ 3.69Å
278L94.3Very high92.7Very high58 Ų5835.5 Ų35.530%0.30420%0.201SC..EExtended strand (participates in β ladder)trans-94.6115.7177.6-178.465.2000110.1K139 Q209 L210 H257K139-L278 PolarHBondContact NZ-O 3.02Å; Q209-L278 HydrophobicContact CB-CD1 4.06Å; L210-L278 HydrophobicContact CD2-CB 4.31Å; L210-L278 HydrophobicContact CD2-CD1 3.79Å; H257-L278 PolarHBondContact CE1-O 3.23Å; H257-L278 VanDerWaalsContact CE1-O 3.22Å; H257-L278 PolarHBondContact ND1-N 2.93Å; H257-L278 PolarHBondContact ND1-O 3.43Å
279L92.3Very high93.5Very high10 Ų1026.4 Ų26.45%0.05215%0.153CC..  trans-78.9143.5170.8-56.5-179.7000110.4L144 A174 Y176 L206 Q209 V211L144-L279 HydrophobicContact CD1-CD1 4.4Å; L144-L279 HydrophobicContact CD2-CD1 4.38Å; L144-L279 HydrophobicContact CD2-CD2 4.29Å; A174-L279 HydrophobicContact CB-CB 4.15Å; A174-L279 HydrophobicContact CB-CD1 3.49Å; A174-L279 VanDerWaalsContact CB-CD1 3.49Å; A174-L279 HydrophobicContact CB-CD2 3.97Å; A174-L279 HydrophobicContact CB-CG 4.08Å; Y176-L279 HydrophobicContact CD1-CD2 3.9Å; Y176-L279 HydrophobicContact CG-CD2 3.98Å; L206-L279 HydrophobicContact CD1-CD1 3.58Å; Q209-L279 VanDerWaalsContact O-CB 3.3Å; Q209-L279 WeakPolarHBondContact O-CB 3.4Å; Q209-L279 WeakPolarHBondContact O-CG 3.16Å; Q209-L279 PolarHBondContact O-N 3.26Å; V211-L279 HydrophobicContact CB-CD2 4.49Å; V211-L279 HydrophobicContact CG2-CD1 3.44Å; V211-L279 VanDerWaalsContact CG2-CD1 3.44Å; V211-L279 HydrophobicContact CG2-CD2 3.83Å; V211-L279 HydrophobicContact CG2-CG 3.77Å
280D87.5Confident94.3Very high110 Ų11023.6 Ų23.659%0.58813%0.131SC*.  trans-88.20166.9-70.56000111.2K139 K175K139-D280 HydrophobicContact CD-CB 4.44Å; K139-D280 WeakPolarHBondContact CD-OD1 3.33Å; K139-D280 WeakPolarHBondContact CD-OD2 3.4Å; K139-D280 IonicContact NZ-OD1 3.63Å; K139-D280 PolarHBondContact NZ-OD1 3.29Å; K175-D280 HydrophobicContact CB-CB 3.85Å; K175-D280 HydrophobicContact CD-CB 3.88Å; K175-D280 HydrophobicContact CG-CB 3.92Å; K175-D280 PolarHBondContact N-O 3.44Å; K175-D280 IonicContact NZ-OD2 3.95Å; K175-D280 PolarHBondContact NZ-OD2 2.99Å; K175-D280 PolarHBondContact O-N 2.84Å

Retrieved 280 of 280 residues in 169.9 ms (Link to these results)

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