A0A087XHX5_POEFO Loading...

Chromosome 3 open reading frame 38

AlphaFold DB , UniProt , Accession A0A087XHX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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
1M41.7Very low76.5Confident241 Ų24174.5 Ų74.5100%1.18742%0.422SS*.  092.70-71-86.7-8700106.3G3M1-G3 PolarHBondContact O-N 3.34Å
2S52.5Low77.6Confident111 Ų11168.3 Ų68.378%0.77639%0.387SS*.  trans-80.1110.3-176.9-50.80000108K53S2-K53 VanDerWaalsContact O-O 3.08Å
3G70.8Confident78.3Confident50 Ų5069.5 Ų69.552%0.51539%0.385SS..  trans-92.7-178.3174.500000111.8M1M1-G3 PolarHBondContact O-N 3.34Å
4L82.4Confident79Confident10 Ų1070.6 Ų70.65%0.05238%0.384CS..  trans-61.3138.8175.3-59.8176.2000111.9E8 R9 F12 L49 A55L4-E8 WeakPolarHBondContact CA-OE2 3.41Å; L4-E8 HydrophobicContact CB-CB 4.3Å; L4-R9 HydrophobicContact CB-CG 3.84Å; L4-R9 PolarHBondContact O-NE 3.27Å; L4-F12 HydrophobicContact CD1-CD2 3.97Å; L4-F12 HydrophobicContact CD1-CE2 4.27Å; L4-F12 HydrophobicContact CD2-CD2 4.45Å; L4-F12 HydrophobicContact CD2-CE2 4.01Å; L4-L49 HydrophobicContact CD1-CB 4.49Å; L4-L49 HydrophobicContact CD1-CD2 3.78Å; L4-A55 HydrophobicContact CD2-CB 3.91Å; L4-A55 VanDerWaalsContact CD2-N 3.29Å
5S84.9Confident79.6Confident48 Ų4866 Ų6634%0.33636%0.359SS..  trans-67.8166171.383.90000111.5T7 E8 R9S5-T7 PolarHBondContact O-N 3.47Å; S5-T7 PolarHBondContact OG-OG1 3.37Å; S5-T7 VanDerWaalsContact OG-OG1 3.05Å; S5-E8 PolarHBondContact N-OE2 3.32Å; S5-E8 PolarHBondContact O-N 2.94Å; S5-E8 WeakPolarHBondContact OG-CB 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.47Å; S5-E8 PolarHBondContact OG-N 3.39Å; S5-R9 WeakPolarHBondContact O-CB 3.49Å; S5-R9 VanDerWaalsContact O-CG 3.27Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 2.89Å
6E81.9Confident80.1Confident139 Ų13962 Ų6265%0.6534%0.337SS*.Hα-helixtrans-64.1-39.8179.4-167.957.1-147.900112.3E8 R9 V10E6-E8 PolarHBondContact O-N 3.08Å; E6-R9 PolarHBondContact O-N 3.24Å; E6-V10 WeakPolarHBondContact O-CG2 3.38Å; E6-V10 PolarHBondContact O-N 2.97Å
7T81.5Confident80.4Confident39 Ų3963.2 Ų63.224%0.23935%0.351CS..Hα-helixtrans-66-39176.854.10000111.8S5 G11 W97 V100S5-T7 PolarHBondContact O-N 3.47Å; S5-T7 PolarHBondContact OG-OG1 3.37Å; S5-T7 VanDerWaalsContact OG-OG1 3.05Å; T7-G11 PolarHBondContact O-N 3.48Å; T7-W97 WeakPolarHBondContact CB-O 3Å; T7-W97 PolarHBondContact OG1-O 2.82Å; T7-V100 HydrophobicContact CG2-CB 4.3Å; T7-V100 HydrophobicContact CG2-CG1 4.29Å
8E87.4Confident80.6Confident44 Ų4463.1 Ų63.121%0.20636%0.355CS..Hα-helixtrans-64.9-43.4173.9-68.2173155.600111.1L4 S5 E6 V10 G11 F12 A55 W97L4-E8 WeakPolarHBondContact CA-OE2 3.41Å; L4-E8 HydrophobicContact CB-CB 4.3Å; S5-E8 PolarHBondContact N-OE2 3.32Å; S5-E8 PolarHBondContact O-N 2.94Å; S5-E8 WeakPolarHBondContact OG-CB 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.47Å; S5-E8 PolarHBondContact OG-N 3.39Å; E6-E8 PolarHBondContact O-N 3.08Å; E8-V10 PolarHBondContact O-N 3.08Å; E8-G11 PolarHBondContact O-N 2.97Å; E8-F12 WeakPolarHBondContact O-CB 3.3Å; E8-F12 WeakPolarHBondContact O-CD2 3.13Å; E8-F12 PolarHBondContact O-N 3.38Å; E8-A55 HydrophobicContact CB-CB 4.37Å; E8-A55 HydrophobicContact CG-CB 3.97Å; E8-A55 WeakPolarHBondContact OE1-CB 3.38Å; E8-W97 HydrophobicContact CB-CE3 4.16Å; E8-W97 HydrophobicContact CG-CB 4.1Å; E8-W97 HydrophobicContact CG-CD2 4.38Å; E8-W97 HydrophobicContact CG-CE3 3.85Å
9R86.3Confident80.8Confident68 Ų6861.2 Ų61.226%0.25734%0.344SS..Hα-helixtrans-59.6-46.4176.9-75.7171.1175-95.5-3.2111.7L4 S5 E6 F12 K13L4-R9 HydrophobicContact CB-CG 3.84Å; L4-R9 PolarHBondContact O-NE 3.27Å; S5-R9 WeakPolarHBondContact O-CB 3.49Å; S5-R9 VanDerWaalsContact O-CG 3.27Å; S5-R9 WeakPolarHBondContact O-CG 3.43Å; S5-R9 PolarHBondContact O-N 2.89Å; E6-R9 PolarHBondContact O-N 3.24Å; R9-F12 PolarHBondContact O-N 3.34Å; R9-K13 WeakPolarHBondContact O-CG 3.32Å; R9-K13 PolarHBondContact O-N 3.45Å
10V85.9Confident81.1Confident68 Ų6862 Ų6241%0.41235%0.35SS..Hα-helixtrans-63-45.4176.8171.90000111.1E6 E8 F12 K13 K14E6-V10 WeakPolarHBondContact O-CG2 3.38Å; E6-V10 PolarHBondContact O-N 2.97Å; E8-V10 PolarHBondContact O-N 3.08Å; V10-F12 PolarHBondContact O-N 3.49Å; V10-K13 PolarHBondContact O-N 2.84Å; V10-K14 PolarHBondContact O-N 3.4Å
11G86.7Confident81.3Confident1 Ų163.3 Ų63.31%0.0136%0.357CS..Hα-helixtrans-60.3-45.2176.800000112.9T7 E8 K13 K14 I15 W97T7-G11 PolarHBondContact O-N 3.48Å; E8-G11 PolarHBondContact O-N 2.97Å; G11-K13 PolarHBondContact O-N 3.13Å; G11-K14 WeakPolarHBondContact O-CB 3.43Å; G11-K14 PolarHBondContact O-N 2.96Å; G11-I15 WeakPolarHBondContact O-CG1 3.49Å; G11-I15 PolarHBondContact O-N 3.13Å; G11-I15 VanDerWaalsContact O-N 3.09Å; G11-W97 VanDerWaalsContact C-CZ2 3.49Å
12F89.1Confident83.3Confident0 Ų057.1 Ų57.10%033%0.332CS..Hα-helixtrans-65.3-37.6175.3-84.5-63.8000112.8L4 E8 R9 V10 K14 I15 L16 L49 A55 L58 L59 W97L4-F12 HydrophobicContact CD1-CD2 3.97Å; L4-F12 HydrophobicContact CD1-CE2 4.27Å; L4-F12 HydrophobicContact CD2-CD2 4.45Å; L4-F12 HydrophobicContact CD2-CE2 4.01Å; E8-F12 WeakPolarHBondContact O-CB 3.3Å; E8-F12 WeakPolarHBondContact O-CD2 3.13Å; E8-F12 PolarHBondContact O-N 3.38Å; R9-F12 PolarHBondContact O-N 3.34Å; V10-F12 PolarHBondContact O-N 3.49Å; F12-K14 PolarHBondContact O-N 2.88Å; F12-I15 PolarHBondContact O-N 3.05Å; F12-I15 VanDerWaalsContact O-N 3.11Å; F12-L16 HydrophobicContact CB-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.3Å; F12-L16 WeakPolarHBondContact O-CG 3.5Å; F12-L16 PolarHBondContact O-N 2.82Å; F12-L49 HydrophobicContact CB-CD2 3.51Å; F12-L49 HydrophobicContact CD2-CD2 4.46Å; F12-L49 HydrophobicContact CG-CD2 4.26Å; F12-A55 HydrophobicContact CE2-CB 3.62Å; F12-A55 HydrophobicContact CZ-CB 4.09Å; F12-A55 WeakPolarHBondContact CZ-O 3.45Å; F12-L58 HydrophobicContact CD1-CD2 3.65Å; F12-L58 HydrophobicContact CD1-CG 4.25Å; F12-L58 HydrophobicContact CD2-CD2 4.15Å; F12-L58 HydrophobicContact CE1-CB 3.99Å; F12-L58 HydrophobicContact CE1-CD2 3.44Å; F12-L58 VanDerWaalsContact CE1-CD2 3.44Å; F12-L58 HydrophobicContact CE1-CG 3.61Å; F12-L58 HydrophobicContact CE2-CB 4.49Å; F12-L58 HydrophobicContact CE2-CD2 3.97Å; F12-L58 HydrophobicContact CG-CD2 4Å; F12-L58 HydrophobicContact CZ-CB 3.71Å; F12-L58 HydrophobicContact CZ-CD2 3.61Å; F12-L58 HydrophobicContact CZ-CG 3.83Å; F12-L59 HydrophobicContact CE1-CD2 3.69Å; F12-L59 HydrophobicContact CE1-CG 3.82Å; F12-L59 HydrophobicContact CZ-CD1 4.43Å; F12-L59 HydrophobicContact CZ-CD2 4.08Å; F12-L59 HydrophobicContact CZ-CG 3.7Å; F12-W97 AromaticContact CD1-CH2 3.93Å; F12-W97 HydrophobicContact CD1-CH2 3.93Å; F12-W97 AromaticContact CD2-CH2 3.76Å; F12-W97 HydrophobicContact CD2-CH2 3.76Å; F12-W97 AromaticContact CD2-CZ3 3.83Å; F12-W97 HydrophobicContact CD2-CZ3 3.83Å; F12-W97 AromaticContact CE1-CH2 3.84Å; F12-W97 HydrophobicContact CE1-CH2 3.84Å; F12-W97 HydrophobicContact CE1-CZ3 4.23Å; F12-W97 HydrophobicContact CE2-CE3 4.42Å; F12-W97 AromaticContact CE2-CH2 3.66Å; F12-W97 HydrophobicContact CE2-CH2 3.66Å; F12-W97 AromaticContact CE2-CZ3 3.38Å; F12-W97 HydrophobicContact CE2-CZ3 3.38Å; F12-W97 AromaticContact CG-CH2 3.89Å; F12-W97 HydrophobicContact CG-CH2 3.89Å; F12-W97 HydrophobicContact CG-CZ3 4.41Å; F12-W97 AromaticContact CZ-CH2 3.7Å; F12-W97 HydrophobicContact CZ-CH2 3.7Å; F12-W97 AromaticContact CZ-CZ3 3.6Å; F12-W97 HydrophobicContact CZ-CZ3 3.6Å
13K87.3Confident84.8Confident84 Ų8453.5 Ų53.537%0.36530%0.304SS..Hα-helixtrans-55.6-41.2174.5-77.7-177.5176.2-168.10111.5R9 V10 G11 S17 M45 E46 L49R9-K13 WeakPolarHBondContact O-CG 3.32Å; R9-K13 PolarHBondContact O-N 3.45Å; V10-K13 PolarHBondContact O-N 2.84Å; G11-K13 PolarHBondContact O-N 3.13Å; K13-S17 VanDerWaalsContact O-CB 3.28Å; K13-S17 WeakPolarHBondContact O-CB 3.46Å; K13-S17 PolarHBondContact O-N 3.4Å; K13-S17 PolarHBondContact O-OG 3.17Å; K13-M45 HydrophobicContact CB-CE 4.19Å; K13-M45 HydrophobicContact CG-CE 4.19Å; K13-M45 WeakPolarHBondContact O-CE 3.41Å; K13-E46 WeakPolarHBondContact CE-OE1 3.32Å; K13-E46 IonicContact NZ-OE1 2.97Å; K13-E46 PolarHBondContact NZ-OE1 2.81Å; K13-L49 HydrophobicContact CD-CD1 4.3Å; K13-L49 VanDerWaalsContact CE-CD1 3.5Å; K13-L49 HydrophobicContact CG-CD1 3.77Å
14K87.5Confident85.5Confident86 Ų8651.3 Ų51.337%0.37428%0.28SS..Hα-helixtrans-69.6-35176.6-63.9174.3175.1-175.30113.7V10 G11 F12 S17 S18 Y72 E76V10-K14 PolarHBondContact O-N 3.4Å; G11-K14 WeakPolarHBondContact O-CB 3.43Å; G11-K14 PolarHBondContact O-N 2.96Å; F12-K14 PolarHBondContact O-N 2.88Å; K14-S17 PolarHBondContact O-OG 3.47Å; K14-S18 PolarHBondContact O-OG 3.3Å; K14-Y72 HydrophobicContact CB-CD2 4.11Å; K14-Y72 HydrophobicContact CB-CE2 3.82Å; K14-Y72 HydrophobicContact CD-CE2 3.91Å; K14-E76 WeakPolarHBondContact CD-OE1 3.43Å; K14-E76 VanDerWaalsContact NZ-CD 3.28Å; K14-E76 IonicContact NZ-OE1 3.14Å; K14-E76 PolarHBondContact NZ-OE1 3.32Å; K14-E76 IonicContact NZ-OE2 2.68Å; K14-E76 PolarHBondContact NZ-OE2 3.04Å
15I88.7Confident85.6Confident1 Ų155.1 Ų55.11%0.00529%0.294CS..Hα-helixtrans-71.3-50176-68.8176.2000110.3G11 F12 S17 S18 L59 V64 L68 Y72 T93 W97G11-I15 WeakPolarHBondContact O-CG1 3.49Å; G11-I15 PolarHBondContact O-N 3.13Å; G11-I15 VanDerWaalsContact O-N 3.09Å; F12-I15 PolarHBondContact O-N 3.05Å; F12-I15 VanDerWaalsContact O-N 3.11Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.47Å; I15-S18 WeakPolarHBondContact O-CB 3.5Å; I15-S18 PolarHBondContact O-N 3Å; I15-S18 VanDerWaalsContact O-N 3.08Å; I15-L59 HydrophobicContact CD1-CD2 3.86Å; I15-V64 HydrophobicContact CG2-CG1 4.46Å; I15-L68 HydrophobicContact CG2-CD2 3.57Å; I15-L68 HydrophobicContact CG2-CG 4Å; I15-Y72 HydrophobicContact CD1-CD1 3.74Å; I15-Y72 HydrophobicContact CD1-CD2 4.45Å; I15-Y72 HydrophobicContact CD1-CE1 4.16Å; I15-Y72 HydrophobicContact CD1-CG 3.9Å; I15-Y72 HydrophobicContact CG1-CD1 3.85Å; I15-Y72 HydrophobicContact CG1-CD2 3.69Å; I15-Y72 HydrophobicContact CG1-CE1 4.4Å; I15-Y72 HydrophobicContact CG1-CE2 4.29Å; I15-Y72 HydrophobicContact CG1-CG 3.46Å; I15-Y72 VanDerWaalsContact CG1-CG 3.46Å; I15-T93 HydrophobicContact CD1-CG2 4.4Å; I15-W97 HydrophobicContact CD1-CH2 3.75Å; I15-W97 HydrophobicContact CD1-CZ2 3.62Å
16L87.2Confident85.6Confident2 Ų254.7 Ų54.71%0.0129%0.291CS..Hα-helixtrans-66.4-34.1-176.5-66179.5000111.8F12 S18 M19 L24 L27 M45 I48 L49F12-L16 HydrophobicContact CB-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.3Å; F12-L16 WeakPolarHBondContact O-CG 3.5Å; F12-L16 PolarHBondContact O-N 2.82Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact O-N 3.15Å; L16-M19 HydrophobicContact CD2-SD 3.57Å; L16-M19 VanDerWaalsContact CD2-SD 3.57Å; L16-M19 WeakPolarHBondContact O-CB 3.42Å; L16-M19 PolarHBondContact O-N 3.15Å; L16-L24 HydrophobicContact CB-CD1 3.95Å; L16-L24 HydrophobicContact CD1-CD1 4.46Å; L16-L24 HydrophobicContact CD2-CD1 3.82Å; L16-L24 HydrophobicContact CG-CD1 4.27Å; L16-L27 HydrophobicContact CD2-CD2 3.8Å; L16-M45 HydrophobicContact CB-CE 3.99Å; L16-M45 HydrophobicContact CB-CG 4.25Å; L16-M45 HydrophobicContact CD1-CB 4.48Å; L16-M45 HydrophobicContact CD1-CG 4.47Å; L16-I48 HydrophobicContact CD1-CB 4.35Å; L16-I48 HydrophobicContact CD1-CG2 3.99Å; L16-I48 HydrophobicContact CD2-CD1 4.47Å; L16-L49 HydrophobicContact CD1-CD2 4.44Å; L16-L49 HydrophobicContact CD1-CG 4.5Å
17S85.8Confident85.8Confident83 Ų8348.1 Ų48.158%0.5826%0.26SS*.THydrogen-bonded Turntrans-65.3-14.3174.1700000113.7K13 K14 I15K13-S17 VanDerWaalsContact O-CB 3.28Å; K13-S17 WeakPolarHBondContact O-CB 3.46Å; K13-S17 PolarHBondContact O-N 3.4Å; K13-S17 PolarHBondContact O-OG 3.17Å; K14-S17 PolarHBondContact O-OG 3.47Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.47Å
18S82.9Confident86Confident60 Ų6046.2 Ų46.242%0.4225%0.249SC..THydrogen-bonded Turntrans-97.73.9176-54.70000112.6K14 I15 L16K14-S18 PolarHBondContact O-OG 3.3Å; I15-S18 WeakPolarHBondContact O-CB 3.5Å; I15-S18 PolarHBondContact O-N 3Å; I15-S18 VanDerWaalsContact O-N 3.08Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact O-N 3.15Å
19M85.4Confident85.8Confident27 Ų2747 Ų4713%0.13325%0.254CS..SBendtrans-91.2159.5176.3-64.6-175.863.200111.7L16 D23 L24 L27 K63 L68L16-M19 HydrophobicContact CD2-SD 3.57Å; L16-M19 VanDerWaalsContact CD2-SD 3.57Å; L16-M19 WeakPolarHBondContact O-CB 3.42Å; L16-M19 PolarHBondContact O-N 3.15Å; M19-D23 HydrophobicContact CE-CB 3.69Å; M19-L24 HydrophobicContact SD-CD1 4.5Å; M19-L27 HydrophobicContact CE-CD2 4.04Å; M19-L27 HydrophobicContact SD-CD2 4.09Å; M19-K63 HydrophobicContact CE-CB 4.27Å; M19-K63 WeakPolarHBondContact CE-O 3.43Å; M19-L68 HydrophobicContact CG-CD1 4.47Å; M19-L68 HydrophobicContact CG-CD2 3.44Å; M19-L68 VanDerWaalsContact CG-CD2 3.44Å; M19-L68 HydrophobicContact SD-CD2 3.95Å
20T86.8Confident85.7Confident77 Ų7747.5 Ų47.547%0.47227%0.265SS..  trans-77.4152.6170.770.80000110.8V22 D23 L24T20-V22 PolarHBondContact O-N 3.14Å; T20-V22 VanDerWaalsContact O-N 3.17Å; T20-D23 PolarHBondContact O-N 2.81Å; T20-D23 VanDerWaalsContact O-N 3.11Å; T20-D23 PolarHBondContact OG1-N 3.37Å; T20-D23 PolarHBondContact OG1-OD2 2.89Å; T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 3.05Å
21D84.3Confident85.6Confident91 Ų9145.1 Ų45.149%0.48725%0.25SS..Hα-helixtrans-55.3-35.5177.9-65.2-3000112.7R25 V41D21-R25 WeakPolarHBondContact O-CB 3.31Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.25Å; D21-R25 PolarHBondContact O-N 3.33Å; D21-V41 HydrophobicContact CB-CG2 4.27Å; D21-V41 VanDerWaalsContact CG-CG2 3.49Å; D21-V41 VanDerWaalsContact OD1-CG2 3.28Å; D21-V41 WeakPolarHBondContact OD1-CG2 3.25Å
22V83.3Confident85.4Confident110 Ų11045.2 Ų45.267%0.66725%0.251SS*.Hα-helixtrans-68.6-44.8179179.50000111.2T20 L24 S26T20-V22 PolarHBondContact O-N 3.14Å; T20-V22 VanDerWaalsContact O-N 3.17Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-S26 WeakPolarHBondContact O-CB 3.39Å; V22-S26 PolarHBondContact O-N 3.19Å
23D84.5Confident85.1Confident36 Ų3651.6 Ų51.619%0.19329%0.285CS..Hα-helixtrans-71.1-33.6179.4-69.9-44.5000112.1M19 T20 S26 L27 K63M19-D23 HydrophobicContact CE-CB 3.69Å; T20-D23 PolarHBondContact O-N 2.81Å; T20-D23 VanDerWaalsContact O-N 3.11Å; T20-D23 PolarHBondContact OG1-N 3.37Å; T20-D23 PolarHBondContact OG1-OD2 2.89Å; D23-S26 PolarHBondContact O-N 2.94Å; D23-L27 VanDerWaalsContact O-CB 3.29Å; D23-L27 WeakPolarHBondContact O-CB 3.4Å; D23-L27 PolarHBondContact O-N 3.14Å; D23-K63 HydrophobicContact CB-CD 4.47Å; D23-K63 IonicContact OD1-NZ 2.83Å; D23-K63 PolarHBondContact OD1-NZ 2.88Å
24L86.4Confident84.8Confident3 Ų355.3 Ų55.32%0.01630%0.301CS..Hα-helixtrans-67.1-45.3176.5-167.373.4000111.4L16 M19 T20 V22 L27 S28 V41 A44 M45 I48L16-L24 HydrophobicContact CB-CD1 3.95Å; L16-L24 HydrophobicContact CD1-CD1 4.46Å; L16-L24 HydrophobicContact CD2-CD1 3.82Å; L16-L24 HydrophobicContact CG-CD1 4.27Å; M19-L24 HydrophobicContact SD-CD1 4.5Å; T20-L24 WeakPolarHBondContact O-CB 3.39Å; T20-L24 PolarHBondContact O-N 3.05Å; V22-L24 VanDerWaalsContact C-N 3.35Å; L24-L27 PolarHBondContact O-N 3.25Å; L24-S28 PolarHBondContact O-N 3.4Å; L24-V41 HydrophobicContact CD2-CB 4.39Å; L24-V41 HydrophobicContact CD2-CG1 3.55Å; L24-V41 WeakPolarHBondContact CD2-O 3.25Å; L24-A44 HydrophobicContact CD2-CB 3.71Å; L24-A44 HydrophobicContact CG-CB 3.81Å; L24-M45 HydrophobicContact CD1-CG 4.18Å; L24-M45 HydrophobicContact CD2-CG 3.79Å; L24-I48 HydrophobicContact CD1-CD1 3.61Å; L24-I48 HydrophobicContact CG-CD1 4.06Å
25R83.5Confident84.1Confident90 Ų9058.4 Ų58.434%0.3432%0.319SS..Hα-helixtrans-61.6-44.6173.9-71.9173.7-170.6-86.93.3111.7D21 L27 S28 D29 V38 E39D21-R25 WeakPolarHBondContact O-CB 3.31Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.25Å; D21-R25 PolarHBondContact O-N 3.33Å; R25-L27 VanDerWaalsContact C-N 3.28Å; R25-L27 PolarHBondContact O-N 2.95Å; R25-S28 WeakPolarHBondContact O-CB 3.39Å; R25-S28 PolarHBondContact O-N 3.03Å; R25-S28 VanDerWaalsContact O-N 3.15Å; R25-D29 PolarHBondContact O-N 3.1Å; R25-V38 PolarHBondContact NH1-O 2.96Å; R25-E39 PolarHBondContact NH1-O 3.07Å; R25-E39 VanDerWaalsContact NH1-O 3.12Å; R25-E39 PolarHBondContact NH2-O 3.3Å
26S85.1Confident83.6Confident39 Ų3960.5 Ų60.527%0.27333%0.33SS..Hα-helixtrans-62.3-35.4176.3-179.20000112.9V22 D23 T30 K63V22-S26 WeakPolarHBondContact O-CB 3.39Å; V22-S26 PolarHBondContact O-N 3.19Å; D23-S26 PolarHBondContact O-N 2.94Å; S26-T30 PolarHBondContact O-N 3.18Å; S26-T30 PolarHBondContact O-OG1 3.3Å; S26-K63 VanDerWaalsContact OG-CE 3.24Å; S26-K63 WeakPolarHBondContact OG-CE 3.46Å
27L86.2Confident83.1Confident1 Ų166.3 Ų66.31%0.00537%0.365CS..Hα-helixtrans-68.5-41.8174.6-175.156.5000111.2L16 M19 D23 L24 R25 T30 V31 I48 L58 R61 K63 V64L16-L27 HydrophobicContact CD2-CD2 3.8Å; M19-L27 HydrophobicContact CE-CD2 4.04Å; M19-L27 HydrophobicContact SD-CD2 4.09Å; D23-L27 VanDerWaalsContact O-CB 3.29Å; D23-L27 WeakPolarHBondContact O-CB 3.4Å; D23-L27 PolarHBondContact O-N 3.14Å; L24-L27 PolarHBondContact O-N 3.25Å; R25-L27 VanDerWaalsContact C-N 3.28Å; R25-L27 PolarHBondContact O-N 2.95Å; L27-T30 WeakPolarHBondContact O-CB 3.32Å; L27-T30 PolarHBondContact O-N 2.91Å; L27-V31 HydrophobicContact CD1-CG2 4.38Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 2.99Å; L27-I48 HydrophobicContact CB-CD1 4.01Å; L27-I48 HydrophobicContact CD2-CD1 4.06Å; L27-I48 HydrophobicContact CD2-CG2 4.45Å; L27-I48 HydrophobicContact CG-CD1 3.92Å; L27-I48 HydrophobicContact CG-CG1 4.3Å; L27-L58 HydrophobicContact CD1-CD1 3.94Å; L27-L58 HydrophobicContact CD2-CD1 4.15Å; L27-L58 HydrophobicContact CG-CD1 4.23Å; L27-R61 HydrophobicContact CD1-CB 4.02Å; L27-R61 HydrophobicContact CD1-CG 4.33Å; L27-K63 HydrophobicContact CB-CB 4.38Å; L27-K63 HydrophobicContact CD1-CB 4.38Å; L27-V64 HydrophobicContact CD2-CG2 4.01Å
28S85.3Confident82.8Confident0 Ų063 Ų630%034%0.341CS..Hα-helixtrans-59.6-47.1175-172.10000112.5L24 R25 T30 V31 T32 V38 T47L24-S28 PolarHBondContact O-N 3.4Å; R25-S28 WeakPolarHBondContact O-CB 3.39Å; R25-S28 PolarHBondContact O-N 3.03Å; R25-S28 VanDerWaalsContact O-N 3.15Å; S28-T30 PolarHBondContact O-N 3.1Å; S28-V31 PolarHBondContact O-N 2.98Å; S28-V31 VanDerWaalsContact O-N 3.15Å; S28-T32 WeakPolarHBondContact O-CB 3.31Å; S28-T32 WeakPolarHBondContact O-CG2 3.38Å; S28-T32 PolarHBondContact O-N 3.47Å; S28-T32 PolarHBondContact O-OG1 3.33Å; S28-V38 VanDerWaalsContact OG-CG2 3.29Å; S28-V38 WeakPolarHBondContact OG-CG2 3.41Å; S28-T47 WeakPolarHBondContact OG-CG2 3.34Å
29D84.5Confident82.4Confident61 Ų6167.6 Ų67.633%0.32636%0.356SS..Hα-helixtrans-56.9-37.6175.6-75.8-7.1000112R25 N33 K34R25-D29 PolarHBondContact O-N 3.1Å; D29-N33 CarbonylContact O-C 3.52Å; D29-N33 VanDerWaalsContact O-CA 3.32Å; D29-N33 WeakPolarHBondContact O-CA 3.36Å; D29-N33 PolarHBondContact O-N 2.74Å; D29-K34 HydrophobicContact CB-CG 3.96Å; D29-K34 PolarHBondContact O-N 3.05Å
30T83.5Confident82.2Confident77 Ų7769.9 Ų69.947%0.47237%0.369SS..Hα-helixtrans-74.3-35.1-179.1-53.50000111.9S26 L27 S28S26-T30 PolarHBondContact O-N 3.18Å; S26-T30 PolarHBondContact O-OG1 3.3Å; L27-T30 WeakPolarHBondContact O-CB 3.32Å; L27-T30 PolarHBondContact O-N 2.91Å; S28-T30 PolarHBondContact O-N 3.1Å
31V83Confident81.8Confident18 Ų1868.5 Ų68.511%0.10936%0.36CS..Hα-helixtrans-77.2-35.1179.8174.10000110.9L27 S28 F51 L58L27-V31 HydrophobicContact CD1-CG2 4.38Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 2.99Å; S28-V31 PolarHBondContact O-N 2.98Å; S28-V31 VanDerWaalsContact O-N 3.15Å; V31-F51 VanDerWaalsContact CG1-C 3.46Å; V31-F51 HydrophobicContact CG1-CB 3.72Å; V31-F51 WeakPolarHBondContact CG1-O 3.31Å; V31-L58 HydrophobicContact CG2-CD1 3.99Å
32T83.9Confident81.7Confident4 Ų468.9 Ų68.93%0.02537%0.366CS..Hα-helixtrans-94.1-0.7-178.7620000113.9S28 K34 M35 I36 T47 F51S28-T32 WeakPolarHBondContact O-CB 3.31Å; S28-T32 WeakPolarHBondContact O-CG2 3.38Å; S28-T32 PolarHBondContact O-N 3.47Å; S28-T32 PolarHBondContact O-OG1 3.33Å; T32-K34 PolarHBondContact O-N 3.44Å; T32-M35 VanDerWaalsContact O-CB 3.31Å; T32-M35 WeakPolarHBondContact O-CB 3.43Å; T32-M35 VanDerWaalsContact O-CE 3.31Å; T32-M35 WeakPolarHBondContact O-CE 3.21Å; T32-M35 WeakPolarHBondContact O-CG 3.38Å; T32-M35 PolarHBondContact O-N 3.11Å; T32-M35 VanDerWaalsContact O-N 3.09Å; T32-I36 HydrophobicContact CG2-CB 4.06Å; T32-I36 HydrophobicContact CG2-CD1 3.85Å; T32-I36 HydrophobicContact CG2-CG1 4.13Å; T32-T47 HydrophobicContact CG2-CG2 3.3Å; T32-F51 HydrophobicContact CG2-CB 4.29Å; T32-F51 HydrophobicContact CG2-CD2 4.28Å; T32-F51 HydrophobicContact CG2-CG 4.26Å
33N81.2Confident81.5Confident134 Ų13466.9 Ų66.972%0.71735%0.349SS*.THydrogen-bonded Turntrans51.640.2-171.3-162.531.9000112.5D29 M35D29-N33 CarbonylContact O-C 3.52Å; D29-N33 VanDerWaalsContact O-CA 3.32Å; D29-N33 WeakPolarHBondContact O-CA 3.36Å; D29-N33 PolarHBondContact O-N 2.74Å; N33-M35 PolarHBondContact O-N 3.05Å; N33-M35 VanDerWaalsContact O-N 3.15Å
34K81.4Confident81.5Confident161 Ų16165.2 Ų65.270%0.734%0.34SS*.THydrogen-bonded Turntrans58.118.6-176.8-59179.7175.5-176.30115.4D29 T32 I36D29-K34 HydrophobicContact CB-CG 3.96Å; D29-K34 PolarHBondContact O-N 3.05Å; T32-K34 PolarHBondContact O-N 3.44Å; K34-I36 VanDerWaalsContact C-N 3.3Å
35M73.9Confident81.4Confident151 Ų15166.5 Ų66.574%0.74435%0.346SS*.  trans-79.5-14.5178.5-62.9-171.6-65.500113.1T32 N33T32-M35 VanDerWaalsContact O-CB 3.31Å; T32-M35 WeakPolarHBondContact O-CB 3.43Å; T32-M35 VanDerWaalsContact O-CE 3.31Å; T32-M35 WeakPolarHBondContact O-CE 3.21Å; T32-M35 WeakPolarHBondContact O-CG 3.38Å; T32-M35 PolarHBondContact O-N 3.11Å; T32-M35 VanDerWaalsContact O-N 3.09Å; N33-M35 PolarHBondContact O-N 3.05Å; N33-M35 VanDerWaalsContact O-N 3.15Å
36I78.6Confident81.3Confident46 Ų4665.6 Ų65.624%0.23635%0.346CS..SBendtrans-124.7120-178.8-56.6179.4000108.2T32 K34 V38 T47 F51T32-I36 HydrophobicContact CG2-CB 4.06Å; T32-I36 HydrophobicContact CG2-CD1 3.85Å; T32-I36 HydrophobicContact CG2-CG1 4.13Å; K34-I36 VanDerWaalsContact C-N 3.3Å; I36-V38 HydrophobicContact CG2-CG2 4.3Å; I36-T47 HydrophobicContact CB-CG2 4.43Å; I36-T47 HydrophobicContact CD1-CG2 4.13Å; I36-T47 HydrophobicContact CG2-CG2 4.22Å; I36-F51 HydrophobicContact CD1-CD2 3.85Å; I36-F51 HydrophobicContact CD1-CE1 4.01Å; I36-F51 HydrophobicContact CD1-CE2 3.26Å; I36-F51 HydrophobicContact CD1-CG 4.45Å; I36-F51 HydrophobicContact CD1-CZ 3.36Å
37V76.3Confident81.3Confident123 Ų12364.4 Ų64.475%0.74534%0.337SS*.  trans-85124.3171.4-179.30000107.3
38V78.8Confident81.3Confident14 Ų1464.3 Ų64.39%0.08534%0.337CS..  trans-105.7129.2-180-177.50000109.4R25 S28 I36 N40 E43 A44 T47R25-V38 PolarHBondContact NH1-O 2.96Å; S28-V38 VanDerWaalsContact OG-CG2 3.29Å; S28-V38 WeakPolarHBondContact OG-CG2 3.41Å; I36-V38 HydrophobicContact CG2-CG2 4.3Å; V38-N40 VanDerWaalsContact CG1-O 3.23Å; V38-N40 WeakPolarHBondContact CG1-O 3.46Å; V38-E43 HydrophobicContact CG1-CB 3.75Å; V38-E43 HydrophobicContact CG1-CG 3.84Å; V38-A44 VanDerWaalsContact CG1-CA 3.45Å; V38-A44 HydrophobicContact CG1-CB 3.67Å; V38-T47 HydrophobicContact CG2-CG2 4.33Å
39E74.2Confident81.3Confident156 Ų15664.4 Ų64.473%0.72934%0.337SS*.  trans-93.8-33.4-175.7-64.1-172.8168.100112.4R25 E43R25-E39 PolarHBondContact NH1-O 3.07Å; R25-E39 VanDerWaalsContact NH1-O 3.12Å; R25-E39 PolarHBondContact NH2-O 3.3Å; E39-E43 PolarHBondContact N-OE2 3.23Å
40N80.8Confident81.2Confident75 Ų7564.8 Ų64.840%0.40135%0.345SS..SBendtrans-131.7164.7-175.664.971.4000113.8V38 T42 E43 A44V38-N40 VanDerWaalsContact CG1-O 3.23Å; V38-N40 WeakPolarHBondContact CG1-O 3.46Å; N40-T42 PolarHBondContact O-N 3.18Å; N40-T42 PolarHBondContact OD1-N 2.99Å; N40-E43 PolarHBondContact O-N 3.29Å; N40-E43 WeakPolarHBondContact OD1-CB 3.36Å; N40-E43 PolarHBondContact OD1-N 2.92Å; N40-A44 PolarHBondContact O-N 3.47Å
41V79.9Confident81.2Confident49 Ų4966.4 Ų66.430%0.29735%0.345SS..Hα-helixtrans-63.3-40.2-175176.80000111.9D21 L24 A44 M45D21-V41 HydrophobicContact CB-CG2 4.27Å; D21-V41 VanDerWaalsContact CG-CG2 3.49Å; D21-V41 VanDerWaalsContact OD1-CG2 3.28Å; D21-V41 WeakPolarHBondContact OD1-CG2 3.25Å; L24-V41 HydrophobicContact CD2-CB 4.39Å; L24-V41 HydrophobicContact CD2-CG1 3.55Å; L24-V41 WeakPolarHBondContact CD2-O 3.25Å; V41-A44 WeakPolarHBondContact O-CB 3.15Å; V41-A44 PolarHBondContact O-N 3.47Å; V41-M45 WeakPolarHBondContact O-CG 3.38Å; V41-M45 PolarHBondContact O-N 3.08Å
42T80.6Confident81.3Confident99 Ų9965.8 Ų65.861%0.60734%0.342SS*.Hα-helixtrans-65.5-44.8-179.7-530000111.5N40 A44 M45 E46N40-T42 PolarHBondContact O-N 3.18Å; N40-T42 PolarHBondContact OD1-N 2.99Å; T42-A44 VanDerWaalsContact C-N 3.26Å; T42-A44 PolarHBondContact O-N 3.03Å; T42-M45 PolarHBondContact O-N 2.93Å; T42-E46 PolarHBondContact O-N 2.89Å
43E80.9Confident81.1Confident68 Ų6873.4 Ų73.432%0.31838%0.375SS..Hα-helixtrans-62.8-34.9174.6-171.8-172.9-163.900111.2V38 E39 N40 T47V38-E43 HydrophobicContact CG1-CB 3.75Å; V38-E43 HydrophobicContact CG1-CG 3.84Å; E39-E43 PolarHBondContact N-OE2 3.23Å; N40-E43 PolarHBondContact O-N 3.29Å; N40-E43 WeakPolarHBondContact OD1-CB 3.36Å; N40-E43 PolarHBondContact OD1-N 2.92Å; E43-T47 WeakPolarHBondContact O-CB 3.48Å; E43-T47 PolarHBondContact O-N 2.63Å; E43-T47 PolarHBondContact O-OG1 3.17Å
44A83Confident81.2Confident0 Ų069.1 Ų69.10%036%0.355CS..Hα-helixtrans-63.8-45.2174.900000111.4L24 V38 N40 V41 T42 I48L24-A44 HydrophobicContact CD2-CB 3.71Å; L24-A44 HydrophobicContact CG-CB 3.81Å; V38-A44 VanDerWaalsContact CG1-CA 3.45Å; V38-A44 HydrophobicContact CG1-CB 3.67Å; N40-A44 PolarHBondContact O-N 3.47Å; V41-A44 WeakPolarHBondContact O-CB 3.15Å; V41-A44 PolarHBondContact O-N 3.47Å; T42-A44 VanDerWaalsContact C-N 3.26Å; T42-A44 PolarHBondContact O-N 3.03Å; A44-I48 WeakPolarHBondContact O-CB 3.19Å; A44-I48 VanDerWaalsContact O-CD1 3.31Å; A44-I48 WeakPolarHBondContact O-CD1 3.38Å; A44-I48 WeakPolarHBondContact O-CG1 3.19Å; A44-I48 PolarHBondContact O-N 2.59Å
45M84.5Confident81.4Confident30 Ų3061.5 Ų61.515%0.14832%0.322CS..Hα-helixtrans-62.3-50177.7-67.1177.966.700111.4K13 L16 L24 V41 T42 T47 I48 L49K13-M45 HydrophobicContact CB-CE 4.19Å; K13-M45 HydrophobicContact CG-CE 4.19Å; K13-M45 WeakPolarHBondContact O-CE 3.41Å; L16-M45 HydrophobicContact CB-CE 3.99Å; L16-M45 HydrophobicContact CB-CG 4.25Å; L16-M45 HydrophobicContact CD1-CB 4.48Å; L16-M45 HydrophobicContact CD1-CG 4.47Å; L24-M45 HydrophobicContact CD1-CG 4.18Å; L24-M45 HydrophobicContact CD2-CG 3.79Å; V41-M45 WeakPolarHBondContact O-CG 3.38Å; V41-M45 PolarHBondContact O-N 3.08Å; T42-M45 PolarHBondContact O-N 2.93Å; M45-T47 VanDerWaalsContact C-N 3.32Å; M45-T47 PolarHBondContact O-N 2.89Å; M45-I48 PolarHBondContact O-N 2.84Å; M45-L49 VanDerWaalsContact O-CG 3.26Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.86Å
46E82.8Confident81.9Confident72 Ų7258.1 Ų58.134%0.33631%0.305SS..Hα-helixtrans-66.1-35.8-178.3-69.7-59.9151.900112.1K13 T42 L49 S50K13-E46 WeakPolarHBondContact CE-OE1 3.32Å; K13-E46 IonicContact NZ-OE1 2.97Å; K13-E46 PolarHBondContact NZ-OE1 2.81Å; T42-E46 PolarHBondContact O-N 2.89Å; E46-L49 PolarHBondContact O-N 3.19Å; E46-S50 VanDerWaalsContact O-CB 3.26Å; E46-S50 WeakPolarHBondContact O-CB 3.39Å; E46-S50 PolarHBondContact O-N 2.84Å; E46-S50 PolarHBondContact O-OG 3.33Å
47T83.5Confident82.4Confident13 Ų1359.3 Ų59.38%0.0831%0.309CS..Hα-helixtrans-64.6-46.5173.8-61.40000111.3S28 T32 I36 V38 E43 M45 L49 S50 F51S28-T47 WeakPolarHBondContact OG-CG2 3.34Å; T32-T47 HydrophobicContact CG2-CG2 3.3Å; I36-T47 HydrophobicContact CB-CG2 4.43Å; I36-T47 HydrophobicContact CD1-CG2 4.13Å; I36-T47 HydrophobicContact CG2-CG2 4.22Å; V38-T47 HydrophobicContact CG2-CG2 4.33Å; E43-T47 WeakPolarHBondContact O-CB 3.48Å; E43-T47 PolarHBondContact O-N 2.63Å; E43-T47 PolarHBondContact O-OG1 3.17Å; M45-T47 VanDerWaalsContact C-N 3.32Å; M45-T47 PolarHBondContact O-N 2.89Å; T47-L49 VanDerWaalsContact C-N 3.32Å; T47-L49 PolarHBondContact O-N 2.98Å; T47-S50 PolarHBondContact O-N 2.86Å; T47-F51 HydrophobicContact CG2-CD2 3.95Å; T47-F51 HydrophobicContact CG2-CE2 4.4Å; T47-F51 WeakPolarHBondContact O-CD2 3.32Å; T47-F51 PolarHBondContact O-N 2.9Å
48I86.3Confident82.8Confident0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-58.5-45.5176.2-71.1161.5000110.7L16 L24 L27 A44 M45 S50 S52 L58L16-I48 HydrophobicContact CD1-CB 4.35Å; L16-I48 HydrophobicContact CD1-CG2 3.99Å; L16-I48 HydrophobicContact CD2-CD1 4.47Å; L24-I48 HydrophobicContact CD1-CD1 3.61Å; L24-I48 HydrophobicContact CG-CD1 4.06Å; L27-I48 HydrophobicContact CB-CD1 4.01Å; L27-I48 HydrophobicContact CD2-CD1 4.06Å; L27-I48 HydrophobicContact CD2-CG2 4.45Å; L27-I48 HydrophobicContact CG-CD1 3.92Å; L27-I48 HydrophobicContact CG-CG1 4.3Å; A44-I48 WeakPolarHBondContact O-CB 3.19Å; A44-I48 VanDerWaalsContact O-CD1 3.31Å; A44-I48 WeakPolarHBondContact O-CD1 3.38Å; A44-I48 WeakPolarHBondContact O-CG1 3.19Å; A44-I48 PolarHBondContact O-N 2.59Å; M45-I48 PolarHBondContact O-N 2.84Å; I48-S50 PolarHBondContact O-N 2.88Å; I48-S52 VanDerWaalsContact O-CB 3.24Å; I48-S52 WeakPolarHBondContact O-CB 3.22Å; I48-S52 PolarHBondContact O-N 2.7Å; I48-S52 PolarHBondContact O-OG 3.42Å; I48-L58 HydrophobicContact CG2-CD1 3.83Å; I48-L58 HydrophobicContact CG2-CD2 3.69Å; I48-L58 HydrophobicContact CG2-CG 4.41Å
49L86.2Confident83.2Confident1 Ų152.8 Ų52.81%0.00527%0.27CS..Hα-helixtrans-67.6-35.5-178.9-67.2173.2000112.8L4 F12 K13 L16 M45 E46 T47L4-L49 HydrophobicContact CD1-CB 4.49Å; L4-L49 HydrophobicContact CD1-CD2 3.78Å; F12-L49 HydrophobicContact CB-CD2 3.51Å; F12-L49 HydrophobicContact CD2-CD2 4.46Å; F12-L49 HydrophobicContact CG-CD2 4.26Å; K13-L49 HydrophobicContact CD-CD1 4.3Å; K13-L49 VanDerWaalsContact CE-CD1 3.5Å; K13-L49 HydrophobicContact CG-CD1 3.77Å; L16-L49 HydrophobicContact CD1-CD2 4.44Å; L16-L49 HydrophobicContact CD1-CG 4.5Å; M45-L49 VanDerWaalsContact O-CG 3.26Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 2.86Å; E46-L49 PolarHBondContact O-N 3.19Å; T47-L49 VanDerWaalsContact C-N 3.32Å; T47-L49 PolarHBondContact O-N 2.98Å
50S82.7Confident83.8Confident69 Ų6952.1 Ų52.148%0.48326%0.261SS..Hα-helixtrans-79.4-33.7-175.3-60.30000113.3E46 T47 I48E46-S50 VanDerWaalsContact O-CB 3.26Å; E46-S50 WeakPolarHBondContact O-CB 3.39Å; E46-S50 PolarHBondContact O-N 2.84Å; E46-S50 PolarHBondContact O-OG 3.33Å; T47-S50 PolarHBondContact O-N 2.86Å; I48-S50 PolarHBondContact O-N 2.88Å
51F83Confident84Confident111 Ų11150.6 Ų50.649%0.48725%0.249SC..Hα-helixtrans-100.91.2-176-70.4-86.5000113.9V31 T32 I36 T47V31-F51 VanDerWaalsContact CG1-C 3.46Å; V31-F51 HydrophobicContact CG1-CB 3.72Å; V31-F51 WeakPolarHBondContact CG1-O 3.31Å; T32-F51 HydrophobicContact CG2-CB 4.29Å; T32-F51 HydrophobicContact CG2-CD2 4.28Å; T32-F51 HydrophobicContact CG2-CG 4.26Å; I36-F51 HydrophobicContact CD1-CD2 3.85Å; I36-F51 HydrophobicContact CD1-CE1 4.01Å; I36-F51 HydrophobicContact CD1-CE2 3.26Å; I36-F51 HydrophobicContact CD1-CG 4.45Å; I36-F51 HydrophobicContact CD1-CZ 3.36Å; T47-F51 HydrophobicContact CG2-CD2 3.95Å; T47-F51 HydrophobicContact CG2-CE2 4.4Å; T47-F51 WeakPolarHBondContact O-CD2 3.32Å; T47-F51 PolarHBondContact O-N 2.9Å
52S83.9Confident84Confident6 Ų659 Ų594%0.04228%0.276CS..  trans-79.2130.8174.6-70.80000112.2I48I48-S52 VanDerWaalsContact O-CB 3.24Å; I48-S52 WeakPolarHBondContact O-CB 3.22Å; I48-S52 PolarHBondContact O-N 2.7Å; I48-S52 PolarHBondContact O-OG 3.42Å
53K80.1Confident84.2Confident163 Ų16357.3 Ų57.371%0.70926%0.26SS*.SBendtrans-81.4-31.3-178.1-61.5179.5-179.2177.10113.7S2S2-K53 VanDerWaalsContact O-O 3.08Å
54S84.2Confident84.5Confident44 Ų4454.1 Ų54.131%0.30825%0.245SC..  trans-156.8154.4174.774.60000111.7E56 E57 L58S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 2.84Å; S54-E57 PolarHBondContact O-N 3.43Å; S54-E57 WeakPolarHBondContact OG-CB 3.18Å; S54-E57 PolarHBondContact OG-N 2.8Å; S54-L58 PolarHBondContact O-N 2.95Å
55A85.8Confident84.6Confident1 Ų158.8 Ų58.81%0.00827%0.266CS..Hα-helixtrans-62.8-38.6175.900000112.2L4 E8 F12 E57 L58 L59 L94 W97L4-A55 HydrophobicContact CD2-CB 3.91Å; L4-A55 VanDerWaalsContact CD2-N 3.29Å; E8-A55 HydrophobicContact CB-CB 4.37Å; E8-A55 HydrophobicContact CG-CB 3.97Å; E8-A55 WeakPolarHBondContact OE1-CB 3.38Å; F12-A55 HydrophobicContact CE2-CB 3.62Å; F12-A55 HydrophobicContact CZ-CB 4.09Å; F12-A55 WeakPolarHBondContact CZ-O 3.45Å; A55-E57 PolarHBondContact O-N 2.9Å; A55-L58 PolarHBondContact O-N 2.97Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 WeakPolarHBondContact O-CG 3.31Å; A55-L59 PolarHBondContact O-N 2.99Å; A55-L94 HydrophobicContact CB-CD2 3.48Å; A55-L94 VanDerWaalsContact CB-CD2 3.48Å; A55-W97 HydrophobicContact CB-CE3 4.22Å; A55-W97 HydrophobicContact CB-CZ3 4.01Å
56E84.9Confident84.8Confident80 Ų8061.1 Ų61.137%0.37427%0.273SS..Hα-helixtrans-62.4-44.1178.8-171.6-179.6-170.400112.3S54 R60 V90 L94S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 PolarHBondContact O-N 2.84Å; E56-R60 VanDerWaalsContact CD-NH1 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.22Å; E56-R60 WeakPolarHBondContact O-CG 3.45Å; E56-R60 PolarHBondContact O-N 3.14Å; E56-R60 VanDerWaalsContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 2.59Å; E56-R60 IonicContact OE1-NH1 3.72Å; E56-R60 PolarHBondContact OE1-NH1 3.04Å; E56-R60 IonicContact OE1-NH2 3.94Å; E56-R60 PolarHBondContact OE1-NH2 3.41Å; E56-V90 HydrophobicContact CG-CG1 4.42Å; E56-L94 HydrophobicContact CB-CD1 3.75Å; E56-L94 HydrophobicContact CG-CD1 3.89Å
57E87.3Confident85Confident71 Ų7161.8 Ų61.833%0.33228%0.279SS..Hα-helixtrans-63-44.9178.2-170-162.8133.200110.8S54 A55 R60 R61S54-E57 PolarHBondContact O-N 3.43Å; S54-E57 WeakPolarHBondContact OG-CB 3.18Å; S54-E57 PolarHBondContact OG-N 2.8Å; A55-E57 PolarHBondContact O-N 2.9Å; E57-R60 PolarHBondContact O-N 3.38Å; E57-R61 PolarHBondContact O-N 2.79Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 3.22Å; E57-R61 PolarHBondContact OE1-NH1 2.84Å; E57-R61 IonicContact OE1-NH2 2.59Å; E57-R61 PolarHBondContact OE1-NH2 2.84Å
58L86.4Confident85.1Confident0 Ų062.3 Ų62.30%028%0.282CS..Hα-helixtrans-65.5-44-178.8-174.359.7000111.9F12 L27 V31 I48 S54 A55 R60 R61 V64F12-L58 HydrophobicContact CD1-CD2 3.65Å; F12-L58 HydrophobicContact CD1-CG 4.25Å; F12-L58 HydrophobicContact CD2-CD2 4.15Å; F12-L58 HydrophobicContact CE1-CB 3.99Å; F12-L58 HydrophobicContact CE1-CD2 3.44Å; F12-L58 VanDerWaalsContact CE1-CD2 3.44Å; F12-L58 HydrophobicContact CE1-CG 3.61Å; F12-L58 HydrophobicContact CE2-CB 4.49Å; F12-L58 HydrophobicContact CE2-CD2 3.97Å; F12-L58 HydrophobicContact CG-CD2 4Å; F12-L58 HydrophobicContact CZ-CB 3.71Å; F12-L58 HydrophobicContact CZ-CD2 3.61Å; F12-L58 HydrophobicContact CZ-CG 3.83Å; L27-L58 HydrophobicContact CD1-CD1 3.94Å; L27-L58 HydrophobicContact CD2-CD1 4.15Å; L27-L58 HydrophobicContact CG-CD1 4.23Å; V31-L58 HydrophobicContact CG2-CD1 3.99Å; I48-L58 HydrophobicContact CG2-CD1 3.83Å; I48-L58 HydrophobicContact CG2-CD2 3.69Å; I48-L58 HydrophobicContact CG2-CG 4.41Å; S54-L58 PolarHBondContact O-N 2.95Å; A55-L58 PolarHBondContact O-N 2.97Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.27Å; L58-R61 WeakPolarHBondContact O-CB 3.07Å; L58-R61 PolarHBondContact O-N 2.8Å; L58-V64 WeakPolarHBondContact O-CG2 3.09Å
59L87.1Confident85.1Confident0 Ų062.3 Ų62.30%028%0.282CS..Hα-helixtrans-65.5-28.8176.6-71.1169.6000113.1F12 I15 A55 V64 I69 K86 V90 T93 L94 W97F12-L59 HydrophobicContact CE1-CD2 3.69Å; F12-L59 HydrophobicContact CE1-CG 3.82Å; F12-L59 HydrophobicContact CZ-CD1 4.43Å; F12-L59 HydrophobicContact CZ-CD2 4.08Å; F12-L59 HydrophobicContact CZ-CG 3.7Å; I15-L59 HydrophobicContact CD1-CD2 3.86Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 WeakPolarHBondContact O-CG 3.31Å; A55-L59 PolarHBondContact O-N 2.99Å; L59-V64 HydrophobicContact CD2-CG1 4.29Å; L59-I69 HydrophobicContact CB-CD1 4.47Å; L59-I69 HydrophobicContact CD2-CD1 4.24Å; L59-I69 HydrophobicContact CD2-CG1 4.28Å; L59-K86 WeakPolarHBondContact O-CE 3.32Å; L59-K86 PolarHBondContact O-NZ 3.41Å; L59-V90 HydrophobicContact CB-CB 4.46Å; L59-V90 HydrophobicContact CB-CG1 3.95Å; L59-V90 HydrophobicContact CB-CG2 3.89Å; L59-V90 HydrophobicContact CD1-CG1 4.09Å; L59-T93 HydrophobicContact CD1-CG2 3.78Å; L59-T93 HydrophobicContact CD2-CG2 4.25Å; L59-L94 HydrophobicContact CD1-CD2 4.02Å; L59-L94 HydrophobicContact CD1-CG 4.14Å; L59-W97 HydrophobicContact CD1-CH2 4.15Å; L59-W97 HydrophobicContact CD1-CZ3 3.78Å; L59-W97 HydrophobicContact CD2-CH2 4.04Å; L59-W97 HydrophobicContact CD2-CZ3 4.46Å; L59-W97 HydrophobicContact CG-CH2 4.35Å; L59-W97 HydrophobicContact CG-CZ3 4.28Å
60R86.4Confident85Confident143 Ų14364.2 Ų64.254%0.5429%0.29SS..Hα-helixtrans-76.3-21.9177.1-78.7-175.2176.5137.69.1113.7E56 E57 L58 K86 V90E56-R60 VanDerWaalsContact CD-NH1 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.22Å; E56-R60 WeakPolarHBondContact O-CG 3.45Å; E56-R60 PolarHBondContact O-N 3.14Å; E56-R60 VanDerWaalsContact O-N 3.11Å; E56-R60 IonicContact OE1-CZ 2.59Å; E56-R60 IonicContact OE1-NH1 3.72Å; E56-R60 PolarHBondContact OE1-NH1 3.04Å; E56-R60 IonicContact OE1-NH2 3.94Å; E56-R60 PolarHBondContact OE1-NH2 3.41Å; E57-R60 PolarHBondContact O-N 3.38Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.27Å; R60-K86 PolarHBondContact O-NZ 3.17Å; R60-V90 HydrophobicContact CG-CG1 4.5Å; R60-V90 HydrophobicContact CG-CG2 4.5Å
61R84Confident85.1Confident43 Ų4367.5 Ų67.516%0.16230%0.296CS..SBendtrans-54.4145.4-179.2-76.2-173.7163.777.71.8112L27 E57 L58 K63 V64 K86L27-R61 HydrophobicContact CD1-CB 4.02Å; L27-R61 HydrophobicContact CD1-CG 4.33Å; E57-R61 PolarHBondContact O-N 2.79Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 3.22Å; E57-R61 PolarHBondContact OE1-NH1 2.84Å; E57-R61 IonicContact OE1-NH2 2.59Å; E57-R61 PolarHBondContact OE1-NH2 2.84Å; L58-R61 WeakPolarHBondContact O-CB 3.07Å; L58-R61 PolarHBondContact O-N 2.8Å; R61-K63 PolarHBondContact O-N 3.37Å; R61-K63 VanDerWaalsContact O-N 3.16Å; R61-V64 PolarHBondContact O-N 3.46Å; R61-K86 PolarHBondContact O-NZ 2.74Å
62R79.5Confident85.5Confident226 Ų22662.8 Ų62.885%0.85328%0.275SS*.THydrogen-bonded Turntrans-57.3-33.3-173.2-172.6176.4179.6-178.80.5113.3
63K85.3Confident85.3Confident63 Ų6362.5 Ų62.527%0.27427%0.273SS..THydrogen-bonded Turntrans-75.9-19.8-179.6-66.9-61.1-166.2165.90114.2M19 D23 S26 L27 R61 H65M19-K63 HydrophobicContact CE-CB 4.27Å; M19-K63 WeakPolarHBondContact CE-O 3.43Å; D23-K63 HydrophobicContact CB-CD 4.47Å; D23-K63 IonicContact OD1-NZ 2.83Å; D23-K63 PolarHBondContact OD1-NZ 2.88Å; S26-K63 VanDerWaalsContact OG-CE 3.24Å; S26-K63 WeakPolarHBondContact OG-CE 3.46Å; L27-K63 HydrophobicContact CB-CB 4.38Å; L27-K63 HydrophobicContact CD1-CB 4.38Å; R61-K63 PolarHBondContact O-N 3.37Å; R61-K63 VanDerWaalsContact O-N 3.16Å; K63-H65 PolarHBondContact O-CD2 3.4Å; K63-H65 VanDerWaalsContact O-CD2 3.29Å; K63-H65 PolarHBondContact O-N 2.78Å
64V87Confident85.4Confident0 Ų058.3 Ų58.30%026%0.261CS..SBendtrans-86.493.2169.4-174.20000107.5I15 L27 L58 L59 R61 L68 I69 K86I15-V64 HydrophobicContact CG2-CG1 4.46Å; L27-V64 HydrophobicContact CD2-CG2 4.01Å; L58-V64 WeakPolarHBondContact O-CG2 3.09Å; L59-V64 HydrophobicContact CD2-CG1 4.29Å; R61-V64 PolarHBondContact O-N 3.46Å; V64-L68 HydrophobicContact CG1-CD2 4.45Å; V64-I69 HydrophobicContact CG1-CD1 3.92Å; V64-I69 HydrophobicContact CG1-CG1 3.74Å; V64-K86 WeakPolarHBondContact O-CE 3.18Å; V64-K86 PolarHBondContact O-NZ 3.32Å
65H85.3Confident85.4Confident98 Ų9863.6 Ų63.645%0.45428%0.278SS..  trans-73152.1-175-68.2-76.1000112.2K63 D67 L68 I69K63-H65 PolarHBondContact O-CD2 3.4Å; K63-H65 VanDerWaalsContact O-CD2 3.29Å; K63-H65 PolarHBondContact O-N 2.78Å; H65-D67 PolarHBondContact O-N 3.1Å; H65-L68 VanDerWaalsContact O-CB 3.32Å; H65-L68 WeakPolarHBondContact O-CB 3.37Å; H65-L68 PolarHBondContact O-N 3Å; H65-I69 PolarHBondContact O-N 2.81Å
66R88.9Confident85.1Confident79 Ų7966.7 Ų66.730%0.29829%0.292SS..Hα-helixtrans-50.6-46.8176.8-171.4-16581.5110.21.9111.6L68 I69 F70 P82 S84 K86 L89R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.95Å; R66-I69 PolarHBondContact O-N 3.44Å; R66-F70 WeakPolarHBondContact O-CB 3.47Å; R66-F70 PolarHBondContact O-N 2.74Å; R66-P82 PolarHBondContact NH1-O 2.82Å; R66-P82 PolarHBondContact NH2-O 2.82Å; R66-S84 WeakPolarHBondContact CD-O 3.36Å; R66-S84 PolarHBondContact NH1-O 3.25Å; R66-K86 HydrophobicContact CB-CB 4.24Å; R66-K86 HydrophobicContact CB-CG 4.49Å; R66-K86 HydrophobicContact CG-CB 4.12Å; R66-L89 HydrophobicContact CG-CD1 3.42Å; R66-L89 VanDerWaalsContact CG-CD1 3.42Å; R66-L89 WeakPolarHBondContact O-CD1 3.38Å
67D86.6Confident84.5Confident86 Ų8666 Ų6646%0.4631%0.306SS..Hα-helixtrans-68.3-26.5-176.3-57.2-26.6000112.7H65 K71H65-D67 PolarHBondContact O-N 3.1Å; D67-K71 WeakPolarHBondContact O-CB 3.32Å; D67-K71 WeakPolarHBondContact O-CG 3.42Å; D67-K71 PolarHBondContact O-N 2.8Å
68L86.6Confident84Confident25 Ų2563.2 Ų63.213%0.13130%0.295CS..Hα-helixtrans-69.1-45.8175.3-166.772.7000110.6I15 M19 V64 H65 R66 F70 K71 Y72I15-L68 HydrophobicContact CG2-CD2 3.57Å; I15-L68 HydrophobicContact CG2-CG 4Å; M19-L68 HydrophobicContact CG-CD1 4.47Å; M19-L68 HydrophobicContact CG-CD2 3.44Å; M19-L68 VanDerWaalsContact CG-CD2 3.44Å; M19-L68 HydrophobicContact SD-CD2 3.95Å; V64-L68 HydrophobicContact CG1-CD2 4.45Å; H65-L68 VanDerWaalsContact O-CB 3.32Å; H65-L68 WeakPolarHBondContact O-CB 3.37Å; H65-L68 PolarHBondContact O-N 3Å; R66-L68 VanDerWaalsContact C-N 3.26Å; R66-L68 PolarHBondContact O-N 2.95Å; L68-F70 VanDerWaalsContact C-N 3.35Å; L68-K71 PolarHBondContact O-N 2.85Å; L68-Y72 WeakPolarHBondContact O-CB 3.43Å; L68-Y72 PolarHBondContact O-N 2.97Å
69I87.1Confident83.4Confident0 Ų069.5 Ų69.50%033%0.333CS..Hα-helixtrans-65.3-41.7176.5-52.8175000110L59 V64 H65 R66 Y72 L73 K86 L89 V90 T93L59-I69 HydrophobicContact CB-CD1 4.47Å; L59-I69 HydrophobicContact CD2-CD1 4.24Å; L59-I69 HydrophobicContact CD2-CG1 4.28Å; V64-I69 HydrophobicContact CG1-CD1 3.92Å; V64-I69 HydrophobicContact CG1-CG1 3.74Å; H65-I69 PolarHBondContact O-N 2.81Å; R66-I69 PolarHBondContact O-N 3.44Å; I69-Y72 WeakPolarHBondContact O-CB 3.33Å; I69-Y72 PolarHBondContact O-N 2.92Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.5Å; I69-K86 HydrophobicContact CD1-CG 4.4Å; I69-L89 HydrophobicContact CB-CB 4.18Å; I69-L89 HydrophobicContact CG2-CB 3.66Å; I69-V90 HydrophobicContact CD1-CG2 3.85Å; I69-T93 WeakPolarHBondContact CG2-OG1 3.31Å
70F83.3Confident82.7Confident40 Ų4071.2 Ų71.218%0.17534%0.342CS..Hα-helixtrans-60.3-51.3176.3-173.8-92.2000111.9R66 L68 Y72 L73 V74 M80 P81 P82 L89R66-F70 WeakPolarHBondContact O-CB 3.47Å; R66-F70 PolarHBondContact O-N 2.74Å; L68-F70 VanDerWaalsContact C-N 3.35Å; F70-Y72 VanDerWaalsContact C-N 3.27Å; F70-Y72 PolarHBondContact O-N 2.85Å; F70-L73 PolarHBondContact O-N 2.88Å; F70-V74 HydrophobicContact CD1-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.73Å; F70-V74 HydrophobicContact CZ-CG2 4.06Å; F70-V74 WeakPolarHBondContact O-CG2 3.41Å; F70-V74 PolarHBondContact O-N 3.01Å; F70-M80 HydrophobicContact CD2-CB 4.14Å; F70-M80 HydrophobicContact CE2-CB 3.77Å; F70-M80 VanDerWaalsContact CE2-O 3.29Å; F70-M80 WeakPolarHBondContact CE2-O 3.37Å; F70-M80 WeakPolarHBondContact CZ-O 3.46Å; F70-P81 WeakPolarHBondContact CE2-O 3.31Å; F70-P82 HydrophobicContact CZ-CG 4.46Å; F70-L89 HydrophobicContact CB-CD1 3.88Å; F70-L89 HydrophobicContact CD2-CD1 4.35Å; F70-L89 HydrophobicContact CD2-CD2 3.87Å
71K85.6Confident82Confident139 Ų13967.9 Ų67.960%0.60434%0.338SS*.Hα-helixtrans-60-38.7177.7-76.4173.4-177.9179.20111.8D67 L68 K75D67-K71 WeakPolarHBondContact O-CB 3.32Å; D67-K71 WeakPolarHBondContact O-CG 3.42Å; D67-K71 PolarHBondContact O-N 2.8Å; L68-K71 PolarHBondContact O-N 2.85Å; K71-K75 WeakPolarHBondContact O-CG 3.46Å; K71-K75 PolarHBondContact O-N 2.76Å
72Y90.1Very high81.5Confident11 Ų1170.4 Ų70.44%0.04336%0.36CS..Hα-helixtrans-61.7-51.4174.8171.3-105.5000111.6K14 I15 L68 I69 F70 V74 K75 E76 T93 L96 W97K14-Y72 HydrophobicContact CB-CD2 4.11Å; K14-Y72 HydrophobicContact CB-CE2 3.82Å; K14-Y72 HydrophobicContact CD-CE2 3.91Å; I15-Y72 HydrophobicContact CD1-CD1 3.74Å; I15-Y72 HydrophobicContact CD1-CD2 4.45Å; I15-Y72 HydrophobicContact CD1-CE1 4.16Å; I15-Y72 HydrophobicContact CD1-CG 3.9Å; I15-Y72 HydrophobicContact CG1-CD1 3.85Å; I15-Y72 HydrophobicContact CG1-CD2 3.69Å; I15-Y72 HydrophobicContact CG1-CE1 4.4Å; I15-Y72 HydrophobicContact CG1-CE2 4.29Å; I15-Y72 HydrophobicContact CG1-CG 3.46Å; I15-Y72 VanDerWaalsContact CG1-CG 3.46Å; L68-Y72 WeakPolarHBondContact O-CB 3.43Å; L68-Y72 PolarHBondContact O-N 2.97Å; I69-Y72 WeakPolarHBondContact O-CB 3.33Å; I69-Y72 PolarHBondContact O-N 2.92Å; F70-Y72 VanDerWaalsContact C-N 3.27Å; F70-Y72 PolarHBondContact O-N 2.85Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.8Å; Y72-K75 WeakPolarHBondContact O-CB 3.3Å; Y72-K75 PolarHBondContact O-N 2.84Å; Y72-K75 VanDerWaalsContact O-N 3.08Å; Y72-E76 HydrophobicContact CD2-CG 4.1Å; Y72-E76 HydrophobicContact CE1-CG 4.09Å; Y72-E76 HydrophobicContact CE2-CG 3.49Å; Y72-E76 VanDerWaalsContact CE2-CG 3.49Å; Y72-E76 VanDerWaalsContact CZ-CG 3.48Å; Y72-E76 WeakPolarHBondContact O-CG 3.3Å; Y72-E76 PolarHBondContact O-N 2.78Å; Y72-T93 HydrophobicContact CD1-CG2 4.2Å; Y72-T93 HydrophobicContact CE1-CG2 3.95Å; Y72-L96 HydrophobicContact CE1-CD2 4Å; Y72-W97 AromaticContact CE1-CE2 3.95Å; Y72-W97 AromaticContact CE1-CZ2 3.86Å; Y72-W97 HydrophobicContact CE1-CZ2 3.86Å; Y72-W97 AromaticContact CE1-NE1 3.57Å; Y72-W97 AromaticContact CZ-NE1 3.5Å; Y72-W97 PolarHBondContact OH-NE1 3.47Å
73L80.2Confident81.3Confident0 Ų065.4 Ų65.40%036%0.355CS..Hα-helixtrans-58.2-42.9178.8-75.3172000112.4I69 F70 K75 E76 G77 V78 M80 L89 R92 T93 L96I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.5Å; F70-L73 PolarHBondContact O-N 2.88Å; L73-K75 VanDerWaalsContact C-N 3.35Å; L73-K75 PolarHBondContact O-N 2.89Å; L73-E76 CarbonylContact O-C 3.56Å; L73-E76 PolarHBondContact O-N 3.08Å; L73-G77 PolarHBondContact O-N 2.92Å; L73-V78 CarbonylContact C-O 3.53Å; L73-V78 HydrophobicContact CB-CB 4.15Å; L73-V78 HydrophobicContact CD2-CB 4.12Å; L73-V78 HydrophobicContact CD2-CG1 4.21Å; L73-V78 HydrophobicContact CD2-CG2 4.24Å; L73-V78 WeakPolarHBondContact O-CA 3.14Å; L73-V78 WeakPolarHBondContact O-CB 3.48Å; L73-V78 PolarHBondContact O-N 2.89Å; L73-M80 HydrophobicContact CD1-CG 3.96Å; L73-L89 HydrophobicContact CD1-CB 4.19Å; L73-L89 HydrophobicContact CD1-CD2 3.87Å; L73-R92 HydrophobicContact CD1-CB 4.05Å; L73-R92 HydrophobicContact CD1-CG 4.21Å; L73-R92 HydrophobicContact CD2-CB 4.48Å; L73-R92 HydrophobicContact CD2-CG 4.12Å; L73-T93 WeakPolarHBondContact CD2-OG1 3.43Å; L73-L96 HydrophobicContact CD2-CD2 4.19Å
74V81.8Confident80.9Confident76 Ų7662.6 Ų62.646%0.46134%0.343SS..Hα-helixtrans-62.2-41.6175.7172.60000111.6F70 Y72 E76 G77F70-V74 HydrophobicContact CD1-CG2 4.11Å; F70-V74 HydrophobicContact CE1-CG2 3.73Å; F70-V74 HydrophobicContact CZ-CG2 4.06Å; F70-V74 WeakPolarHBondContact O-CG2 3.41Å; F70-V74 PolarHBondContact O-N 3.01Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.8Å; V74-E76 VanDerWaalsContact C-N 3.29Å; V74-E76 PolarHBondContact O-N 3.27Å; V74-G77 PolarHBondContact O-N 3.45Å; V74-G77 VanDerWaalsContact O-N 3.09Å
75K83.5Confident80.6Confident154 Ų15468.1 Ų68.167%0.6737%0.369SS*.Hα-helixtrans-63.6-33.7176.4-78.4-179.7178.6-176.30112.7K71 Y72 L73 G77K71-K75 WeakPolarHBondContact O-CG 3.46Å; K71-K75 PolarHBondContact O-N 2.76Å; Y72-K75 WeakPolarHBondContact O-CB 3.3Å; Y72-K75 PolarHBondContact O-N 2.84Å; Y72-K75 VanDerWaalsContact O-N 3.08Å; L73-K75 VanDerWaalsContact C-N 3.35Å; L73-K75 PolarHBondContact O-N 2.89Å; K75-G77 PolarHBondContact O-N 2.78Å
76E80Confident80.6Confident66 Ų6666.1 Ų66.131%0.30836%0.359SS..THydrogen-bonded Turntrans-83.910.7176.1-57.2-70.5124.800112.7K14 Y72 L73 V74 V78 L96K14-E76 WeakPolarHBondContact CD-OE1 3.43Å; K14-E76 VanDerWaalsContact NZ-CD 3.28Å; K14-E76 IonicContact NZ-OE1 3.14Å; K14-E76 PolarHBondContact NZ-OE1 3.32Å; K14-E76 IonicContact NZ-OE2 2.68Å; K14-E76 PolarHBondContact NZ-OE2 3.04Å; Y72-E76 HydrophobicContact CD2-CG 4.1Å; Y72-E76 HydrophobicContact CE1-CG 4.09Å; Y72-E76 HydrophobicContact CE2-CG 3.49Å; Y72-E76 VanDerWaalsContact CE2-CG 3.49Å; Y72-E76 VanDerWaalsContact CZ-CG 3.48Å; Y72-E76 WeakPolarHBondContact O-CG 3.3Å; Y72-E76 PolarHBondContact O-N 2.78Å; L73-E76 CarbonylContact O-C 3.56Å; L73-E76 PolarHBondContact O-N 3.08Å; V74-E76 VanDerWaalsContact C-N 3.29Å; V74-E76 PolarHBondContact O-N 3.27Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 2.92Å; E76-L96 HydrophobicContact CB-CD2 3.66Å; E76-L96 HydrophobicContact CG-CD2 3.87Å
77G73.7Confident80.3Confident65 Ų6567.5 Ų67.567%0.6737%0.369SS*.THydrogen-bonded Turntrans79.211.4176.300000114.7L73 V74 K75L73-G77 PolarHBondContact O-N 2.92Å; V74-G77 PolarHBondContact O-N 3.45Å; V74-G77 VanDerWaalsContact O-N 3.09Å; K75-G77 PolarHBondContact O-N 2.78Å
78V76.6Confident79.8Confident14 Ų1467.4 Ų67.49%0.08537%0.366CS..  trans-90116.8178.8-176.10000110.1L73 E76 M80 R92 L96L73-V78 CarbonylContact C-O 3.53Å; L73-V78 HydrophobicContact CB-CB 4.15Å; L73-V78 HydrophobicContact CD2-CB 4.12Å; L73-V78 HydrophobicContact CD2-CG1 4.21Å; L73-V78 HydrophobicContact CD2-CG2 4.24Å; L73-V78 WeakPolarHBondContact O-CA 3.14Å; L73-V78 WeakPolarHBondContact O-CB 3.48Å; L73-V78 PolarHBondContact O-N 2.89Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 2.92Å; V78-M80 HydrophobicContact CG1-CG 4.35Å; V78-M80 HydrophobicContact CG1-SD 4.48Å; V78-R92 HydrophobicContact CG1-CG 3.68Å; V78-L96 HydrophobicContact CG2-CD1 3.97Å; V78-L96 HydrophobicContact CG2-CD2 4.23Å
79T72.9Confident79.3Confident132 Ų13266.2 Ų66.281%0.8136%0.359SS*.  trans-77.7123.1175.750.60000110.6
80M73.5Confident79.1Confident36 Ų3666.3 Ų66.318%0.17736%0.36CS..  trans-129.5139.3172.9-69.4-58.1-6400109.6F70 L73 V78 L89 R92F70-M80 HydrophobicContact CD2-CB 4.14Å; F70-M80 HydrophobicContact CE2-CB 3.77Å; F70-M80 VanDerWaalsContact CE2-O 3.29Å; F70-M80 WeakPolarHBondContact CE2-O 3.37Å; F70-M80 WeakPolarHBondContact CZ-O 3.46Å; L73-M80 HydrophobicContact CD1-CG 3.96Å; V78-M80 HydrophobicContact CG1-CG 4.35Å; V78-M80 HydrophobicContact CG1-SD 4.48Å; M80-L89 HydrophobicContact CB-CD2 4Å; M80-L89 HydrophobicContact CE-CD2 4.05Å; M80-L89 HydrophobicContact CG-CD2 3.92Å; M80-R92 HydrophobicContact CE-CB 4.43Å; M80-R92 HydrophobicContact CG-CG 4.45Å; M80-R92 HydrophobicContact SD-CB 4.1Å; M80-R92 HydrophobicContact SD-CG 3.68Å
81P71.4Confident79.1Confident72 Ų7270.8 Ų70.847%0.46838%0.379SS..  trans-56.3137.7170.5-25.433.1000111.4F70 T83 S84F70-P81 WeakPolarHBondContact CE2-O 3.31Å; P81-T83 PolarHBondContact O-N 2.91Å; P81-T83 VanDerWaalsContact O-N 3.08Å; P81-S84 VanDerWaalsContact CD-OG 3.31Å; P81-S84 WeakPolarHBondContact CD-OG 3.19Å; P81-S84 VanDerWaalsContact O-CB 3.22Å; P81-S84 WeakPolarHBondContact O-CB 3.24Å; P81-S84 PolarHBondContact O-N 2.65Å; P81-S84 PolarHBondContact O-OG 3.49Å
82P72.3Confident79Confident96 Ų9668.7 Ų68.762%0.62337%0.368SS*.THydrogen-bonded Turntrans-59.9-20.9176.2-24.934.6000113.9R66 F70 S84R66-P82 PolarHBondContact NH1-O 2.82Å; R66-P82 PolarHBondContact NH2-O 2.82Å; F70-P82 HydrophobicContact CZ-CG 4.46Å; P82-S84 VanDerWaalsContact C-N 3.3Å
83T76.8Confident78.8Confident122 Ų12268.2 Ų68.275%0.74837%0.366SS*.THydrogen-bonded Turntrans-80-4.5175.1530000113.8P81 E85P81-T83 PolarHBondContact O-N 2.91Å; P81-T83 VanDerWaalsContact O-N 3.08Å; T83-E85 PolarHBondContact O-N 3.35Å
84S76.8Confident79.1Confident3 Ų370.1 Ų70.12%0.02138%0.376CS..  trans-61.3130.4-174.7-57.90000112.3R66 P81 P82 Q88R66-S84 WeakPolarHBondContact CD-O 3.36Å; R66-S84 PolarHBondContact NH1-O 3.25Å; P81-S84 VanDerWaalsContact CD-OG 3.31Å; P81-S84 WeakPolarHBondContact CD-OG 3.19Å; P81-S84 VanDerWaalsContact O-CB 3.22Å; P81-S84 WeakPolarHBondContact O-CB 3.24Å; P81-S84 PolarHBondContact O-N 2.65Å; P81-S84 PolarHBondContact O-OG 3.49Å; P82-S84 VanDerWaalsContact C-N 3.3Å; S84-Q88 VanDerWaalsContact CA-OE1 3.3Å
85E80.7Confident79.2Confident117 Ų11769.8 Ų69.855%0.54737%0.369SS..  trans-73.3156.5-179.9-64.5-172.3-165.900111.7T83 H87 Q88 L89T83-E85 PolarHBondContact O-N 3.35Å; E85-H87 PolarHBondContact O-N 3.32Å; E85-H87 VanDerWaalsContact O-N 3.15Å; E85-H87 IonicContact OE2-CD2 2.93Å; E85-H87 PolarHBondContact OE2-CD2 2.88Å; E85-H87 IonicContact OE2-NE2 3.89Å; E85-H87 PolarHBondContact OE2-NE2 3.37Å; E85-Q88 HydrophobicContact CB-CG 4.36Å; E85-Q88 WeakPolarHBondContact O-CB 3.5Å; E85-Q88 PolarHBondContact O-N 2.92Å; E85-L89 PolarHBondContact O-N 2.84Å; E85-L89 VanDerWaalsContact O-N 3.16Å
86K84.9Confident79.2Confident56 Ų5663.7 Ų63.724%0.24334%0.344CS..Hα-helixtrans-53.5-41.5-177-176.3175.7175179.40111.7L59 R60 R61 V64 R66 I69 Q88 L89 V90L59-K86 WeakPolarHBondContact O-CE 3.32Å; L59-K86 PolarHBondContact O-NZ 3.41Å; R60-K86 PolarHBondContact O-NZ 3.17Å; R61-K86 PolarHBondContact O-NZ 2.74Å; V64-K86 WeakPolarHBondContact O-CE 3.18Å; V64-K86 PolarHBondContact O-NZ 3.32Å; R66-K86 HydrophobicContact CB-CB 4.24Å; R66-K86 HydrophobicContact CB-CG 4.49Å; R66-K86 HydrophobicContact CG-CB 4.12Å; I69-K86 HydrophobicContact CD1-CG 4.4Å; K86-Q88 VanDerWaalsContact C-N 3.29Å; K86-Q88 PolarHBondContact O-N 2.81Å; K86-L89 PolarHBondContact O-N 3.45Å; K86-V90 HydrophobicContact CG-CG2 4.31Å; K86-V90 VanDerWaalsContact O-CG2 3.26Å; K86-V90 WeakPolarHBondContact O-CG2 3.35Å; K86-V90 PolarHBondContact O-N 3.02Å
87H83.1Confident79.5Confident107 Ų10760.8 Ų60.850%0.49533%0.33SS..Hα-helixtrans-63.9-32.9179.775.475.7000112.9E85 K91E85-H87 PolarHBondContact O-N 3.32Å; E85-H87 VanDerWaalsContact O-N 3.15Å; E85-H87 IonicContact OE2-CD2 2.93Å; E85-H87 PolarHBondContact OE2-CD2 2.88Å; E85-H87 IonicContact OE2-NE2 3.89Å; E85-H87 PolarHBondContact OE2-NE2 3.37Å; H87-K91 WeakPolarHBondContact O-CB 3.36Å; H87-K91 PolarHBondContact O-N 3.44Å
88Q74.5Confident79.6Confident85 Ų8561.9 Ų61.940%0.39733%0.327SS..Hα-helixtrans-70.9-40.1177.8-58.5178.7-47.300110.5S84 E85 K86 K91 R92S84-Q88 VanDerWaalsContact CA-OE1 3.3Å; E85-Q88 HydrophobicContact CB-CG 4.36Å; E85-Q88 WeakPolarHBondContact O-CB 3.5Å; E85-Q88 PolarHBondContact O-N 2.92Å; K86-Q88 VanDerWaalsContact C-N 3.29Å; K86-Q88 PolarHBondContact O-N 2.81Å; Q88-K91 PolarHBondContact O-N 2.59Å; Q88-R92 WeakPolarHBondContact O-CB 3.39Å; Q88-R92 PolarHBondContact O-N 2.84Å
89L76.9Confident78.9Confident0 Ų065 Ų650%035%0.35CS..Hα-helixtrans-66-43.7174.9-58.6176.7000111.6R66 I69 F70 L73 M80 E85 K86 K91 R92 T93R66-L89 HydrophobicContact CG-CD1 3.42Å; R66-L89 VanDerWaalsContact CG-CD1 3.42Å; R66-L89 WeakPolarHBondContact O-CD1 3.38Å; I69-L89 HydrophobicContact CB-CB 4.18Å; I69-L89 HydrophobicContact CG2-CB 3.66Å; F70-L89 HydrophobicContact CB-CD1 3.88Å; F70-L89 HydrophobicContact CD2-CD1 4.35Å; F70-L89 HydrophobicContact CD2-CD2 3.87Å; L73-L89 HydrophobicContact CD1-CB 4.19Å; L73-L89 HydrophobicContact CD1-CD2 3.87Å; M80-L89 HydrophobicContact CB-CD2 4Å; M80-L89 HydrophobicContact CE-CD2 4.05Å; M80-L89 HydrophobicContact CG-CD2 3.92Å; E85-L89 PolarHBondContact O-N 2.84Å; E85-L89 VanDerWaalsContact O-N 3.16Å; K86-L89 PolarHBondContact O-N 3.45Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.14Å; L89-R92 PolarHBondContact O-N 3.26Å; L89-T93 WeakPolarHBondContact O-CB 3.48Å; L89-T93 PolarHBondContact O-N 2.84Å; L89-T93 PolarHBondContact O-OG1 2.81Å
90V83.6Confident78Confident2 Ų262.8 Ų62.81%0.01234%0.336CS..Hα-helixtrans-57-49.5174.3173.40000110.3E56 L59 R60 I69 K86 R92 T93 L94E56-V90 HydrophobicContact CG-CG1 4.42Å; L59-V90 HydrophobicContact CB-CB 4.46Å; L59-V90 HydrophobicContact CB-CG1 3.95Å; L59-V90 HydrophobicContact CB-CG2 3.89Å; L59-V90 HydrophobicContact CD1-CG1 4.09Å; R60-V90 HydrophobicContact CG-CG1 4.5Å; R60-V90 HydrophobicContact CG-CG2 4.5Å; I69-V90 HydrophobicContact CD1-CG2 3.85Å; K86-V90 HydrophobicContact CG-CG2 4.31Å; K86-V90 VanDerWaalsContact O-CG2 3.26Å; K86-V90 WeakPolarHBondContact O-CG2 3.35Å; K86-V90 PolarHBondContact O-N 3.02Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 2.92Å; V90-T93 PolarHBondContact O-N 3.05Å; V90-L94 HydrophobicContact CG1-CD1 4.08Å; V90-L94 WeakPolarHBondContact O-CG 3.46Å; V90-L94 PolarHBondContact O-N 2.93Å
91K83Confident76.6Confident134 Ų13466.4 Ų66.458%0.58336%0.36SS*.Hα-helixtrans-57.1-48.7178.1-173.9-177.2176.4-173.20111.2H87 Q88 L89 T93 L94 E95H87-K91 WeakPolarHBondContact O-CB 3.36Å; H87-K91 PolarHBondContact O-N 3.44Å; Q88-K91 PolarHBondContact O-N 2.59Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.14Å; K91-T93 PolarHBondContact O-N 2.78Å; K91-L94 PolarHBondContact O-N 3.04Å; K91-E95 WeakPolarHBondContact CE-OE1 3.31Å; K91-E95 WeakPolarHBondContact CG-OE1 3.47Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.93Å
92R82.7Confident75.2Confident95 Ų9568 Ų6836%0.35837%0.368SS..Hα-helixtrans-64.5-36.7-179.7-168.371.9-171.11253.6113.2L73 V78 M80 Q88 L89 V90 E95 L96L73-R92 HydrophobicContact CD1-CB 4.05Å; L73-R92 HydrophobicContact CD1-CG 4.21Å; L73-R92 HydrophobicContact CD2-CB 4.48Å; L73-R92 HydrophobicContact CD2-CG 4.12Å; V78-R92 HydrophobicContact CG1-CG 3.68Å; M80-R92 HydrophobicContact CE-CB 4.43Å; M80-R92 HydrophobicContact CG-CG 4.45Å; M80-R92 HydrophobicContact SD-CB 4.1Å; M80-R92 HydrophobicContact SD-CG 3.68Å; Q88-R92 WeakPolarHBondContact O-CB 3.39Å; Q88-R92 PolarHBondContact O-N 2.84Å; L89-R92 PolarHBondContact O-N 3.26Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 2.92Å; R92-E95 WeakPolarHBondContact CD-OE2 3.25Å; R92-E95 IonicContact CZ-OE2 2.75Å; R92-E95 IonicContact NH1-OE2 2.77Å; R92-E95 PolarHBondContact NH1-OE2 2.8Å; R92-E95 PolarHBondContact O-N 2.81Å; R92-L96 PolarHBondContact O-N 2.96Å
93T85.3Confident73.3Confident0 Ų070.4 Ų70.40%038%0.376CS..Hα-helixtrans-66.2-41.2176.2-63.30000111.9I15 L59 I69 Y72 L73 L89 V90 K91 L96 W97I15-T93 HydrophobicContact CD1-CG2 4.4Å; L59-T93 HydrophobicContact CD1-CG2 3.78Å; L59-T93 HydrophobicContact CD2-CG2 4.25Å; I69-T93 WeakPolarHBondContact CG2-OG1 3.31Å; Y72-T93 HydrophobicContact CD1-CG2 4.2Å; Y72-T93 HydrophobicContact CE1-CG2 3.95Å; L73-T93 WeakPolarHBondContact CD2-OG1 3.43Å; L89-T93 WeakPolarHBondContact O-CB 3.48Å; L89-T93 PolarHBondContact O-N 2.84Å; L89-T93 PolarHBondContact O-OG1 2.81Å; V90-T93 PolarHBondContact O-N 3.05Å; K91-T93 PolarHBondContact O-N 2.78Å; T93-L96 WeakPolarHBondContact O-CB 3.16Å; T93-L96 PolarHBondContact O-N 3.25Å; T93-W97 HydrophobicContact CG2-CD2 3.9Å; T93-W97 HydrophobicContact CG2-CE3 3.97Å; T93-W97 HydrophobicContact CG2-CH2 3.52Å; T93-W97 HydrophobicContact CG2-CZ2 3.36Å; T93-W97 HydrophobicContact CG2-CZ3 3.8Å; T93-W97 PolarHBondContact O-N 2.94Å; T93-W97 VanDerWaalsContact O-N 3.08Å
94L87.2Confident71.4Confident41 Ų4174.4 Ų74.422%0.21539%0.386CS..Hα-helixtrans-65.3-40.6174.8-65171.3000111.5A55 E56 L59 V90 K91 L96 W97 S98A55-L94 HydrophobicContact CB-CD2 3.48Å; A55-L94 VanDerWaalsContact CB-CD2 3.48Å; E56-L94 HydrophobicContact CB-CD1 3.75Å; E56-L94 HydrophobicContact CG-CD1 3.89Å; L59-L94 HydrophobicContact CD1-CD2 4.02Å; L59-L94 HydrophobicContact CD1-CG 4.14Å; V90-L94 HydrophobicContact CG1-CD1 4.08Å; V90-L94 WeakPolarHBondContact O-CG 3.46Å; V90-L94 PolarHBondContact O-N 2.93Å; K91-L94 PolarHBondContact O-N 3.04Å; L94-L96 PolarHBondContact O-N 2.95Å; L94-W97 HydrophobicContact CD2-CE3 4.27Å; L94-W97 PolarHBondContact O-N 3.33Å; L94-S98 WeakPolarHBondContact O-CB 3.4Å; L94-S98 PolarHBondContact O-N 2.95Å; L94-S98 PolarHBondContact O-OG 2.81Å
95E83.2Confident69.4Low69 Ų6977.8 Ų77.832%0.32241%0.414SS..Hα-helixtrans-59.8-44.7173.6-71.9168.5-170.600111.8K91 R92 W97 S98 S99K91-E95 WeakPolarHBondContact CE-OE1 3.31Å; K91-E95 WeakPolarHBondContact CG-OE1 3.47Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.93Å; R92-E95 WeakPolarHBondContact CD-OE2 3.25Å; R92-E95 IonicContact CZ-OE2 2.75Å; R92-E95 IonicContact NH1-OE2 2.77Å; R92-E95 PolarHBondContact NH1-OE2 2.8Å; R92-E95 PolarHBondContact O-N 2.81Å; E95-W97 PolarHBondContact O-N 2.85Å; E95-S98 WeakPolarHBondContact CA-OG 3.27Å; E95-S98 PolarHBondContact O-N 3.16Å; E95-S98 PolarHBondContact O-OG 3.47Å; E95-S99 WeakPolarHBondContact O-CB 3.3Å; E95-S99 PolarHBondContact O-N 2.81Å; E95-S99 VanDerWaalsContact O-N 3.08Å
96L84.5Confident67.2Low25 Ų2582.2 Ų82.213%0.13143%0.432CS..Hα-helixtrans-57.1-49.9176177.867.1000111.1Y72 L73 E76 V78 R92 T93 L94 S98 S99 V100Y72-L96 HydrophobicContact CE1-CD2 4Å; L73-L96 HydrophobicContact CD2-CD2 4.19Å; E76-L96 HydrophobicContact CB-CD2 3.66Å; E76-L96 HydrophobicContact CG-CD2 3.87Å; V78-L96 HydrophobicContact CG2-CD1 3.97Å; V78-L96 HydrophobicContact CG2-CD2 4.23Å; R92-L96 PolarHBondContact O-N 2.96Å; T93-L96 WeakPolarHBondContact O-CB 3.16Å; T93-L96 PolarHBondContact O-N 3.25Å; L94-L96 PolarHBondContact O-N 2.95Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 3.48Å; L96-S99 PolarHBondContact O-N 2.92Å; L96-S99 VanDerWaalsContact O-N 3.09Å; L96-V100 HydrophobicContact CD1-CG2 4.42Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.06Å
97W85.7Confident64.7Low6 Ų688 Ų882%0.02346%0.46CS..Hα-helixtrans-68.5-24.6-178.9-61.7-22.6000113.8T7 E8 G11 F12 I15 A55 L59 Y72 T93 L94 E95T7-W97 WeakPolarHBondContact CB-O 3Å; T7-W97 PolarHBondContact OG1-O 2.82Å; E8-W97 HydrophobicContact CB-CE3 4.16Å; E8-W97 HydrophobicContact CG-CB 4.1Å; E8-W97 HydrophobicContact CG-CD2 4.38Å; E8-W97 HydrophobicContact CG-CE3 3.85Å; G11-W97 VanDerWaalsContact C-CZ2 3.49Å; F12-W97 AromaticContact CD1-CH2 3.93Å; F12-W97 HydrophobicContact CD1-CH2 3.93Å; F12-W97 AromaticContact CD2-CH2 3.76Å; F12-W97 HydrophobicContact CD2-CH2 3.76Å; F12-W97 AromaticContact CD2-CZ3 3.83Å; F12-W97 HydrophobicContact CD2-CZ3 3.83Å; F12-W97 AromaticContact CE1-CH2 3.84Å; F12-W97 HydrophobicContact CE1-CH2 3.84Å; F12-W97 HydrophobicContact CE1-CZ3 4.23Å; F12-W97 HydrophobicContact CE2-CE3 4.42Å; F12-W97 AromaticContact CE2-CH2 3.66Å; F12-W97 HydrophobicContact CE2-CH2 3.66Å; F12-W97 AromaticContact CE2-CZ3 3.38Å; F12-W97 HydrophobicContact CE2-CZ3 3.38Å; F12-W97 AromaticContact CG-CH2 3.89Å; F12-W97 HydrophobicContact CG-CH2 3.89Å; F12-W97 HydrophobicContact CG-CZ3 4.41Å; F12-W97 AromaticContact CZ-CH2 3.7Å; F12-W97 HydrophobicContact CZ-CH2 3.7Å; F12-W97 AromaticContact CZ-CZ3 3.6Å; F12-W97 HydrophobicContact CZ-CZ3 3.6Å; I15-W97 HydrophobicContact CD1-CH2 3.75Å; I15-W97 HydrophobicContact CD1-CZ2 3.62Å; A55-W97 HydrophobicContact CB-CE3 4.22Å; A55-W97 HydrophobicContact CB-CZ3 4.01Å; L59-W97 HydrophobicContact CD1-CH2 4.15Å; L59-W97 HydrophobicContact CD1-CZ3 3.78Å; L59-W97 HydrophobicContact CD2-CH2 4.04Å; L59-W97 HydrophobicContact CD2-CZ3 4.46Å; L59-W97 HydrophobicContact CG-CH2 4.35Å; L59-W97 HydrophobicContact CG-CZ3 4.28Å; Y72-W97 AromaticContact CE1-CE2 3.95Å; Y72-W97 AromaticContact CE1-CZ2 3.86Å; Y72-W97 HydrophobicContact CE1-CZ2 3.86Å; Y72-W97 AromaticContact CE1-NE1 3.57Å; Y72-W97 AromaticContact CZ-NE1 3.5Å; Y72-W97 PolarHBondContact OH-NE1 3.47Å; T93-W97 HydrophobicContact CG2-CD2 3.9Å; T93-W97 HydrophobicContact CG2-CE3 3.97Å; T93-W97 HydrophobicContact CG2-CH2 3.52Å; T93-W97 HydrophobicContact CG2-CZ2 3.36Å; T93-W97 HydrophobicContact CG2-CZ3 3.8Å; T93-W97 PolarHBondContact O-N 2.94Å; T93-W97 VanDerWaalsContact O-N 3.08Å; L94-W97 HydrophobicContact CD2-CE3 4.27Å; L94-W97 PolarHBondContact O-N 3.33Å; E95-W97 PolarHBondContact O-N 2.85Å
98S76.6Confident62.2Low87 Ų8791.7 Ų91.761%0.60848%0.477SS*.Hα-helixtrans-77.9-20.6172.473.10000113.9L94 E95 L96L94-S98 WeakPolarHBondContact O-CB 3.4Å; L94-S98 PolarHBondContact O-N 2.95Å; L94-S98 PolarHBondContact O-OG 2.81Å; E95-S98 WeakPolarHBondContact CA-OG 3.27Å; E95-S98 PolarHBondContact O-N 3.16Å; E95-S98 PolarHBondContact O-OG 3.47Å; L96-S98 VanDerWaalsContact C-N 3.25Å; L96-S98 PolarHBondContact O-N 3.48Å
99S60.5Low60Low81 Ų8196.5 Ų96.557%0.56650%0.5SS*.Hα-helixtrans-94.9-16.2-174.8-171.90000114.3E95 L96 T101E95-S99 WeakPolarHBondContact O-CB 3.3Å; E95-S99 PolarHBondContact O-N 2.81Å; E95-S99 VanDerWaalsContact O-N 3.08Å; L96-S99 PolarHBondContact O-N 2.92Å; L96-S99 VanDerWaalsContact O-N 3.09Å; S99-T101 PolarHBondContact O-N 3.39Å; S99-T101 VanDerWaalsContact O-N 3.12Å
100V55.3Low58.7Low84 Ų84101.4 Ų101.451%0.50953%0.532SS..THydrogen-bonded Turntrans-75.76.2-172.6172.30000113.3T7 L96 V102T7-V100 HydrophobicContact CG2-CB 4.3Å; T7-V100 HydrophobicContact CG2-CG1 4.29Å; L96-V100 HydrophobicContact CD1-CG2 4.42Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.06Å; V100-V102 PolarHBondContact O-N 2.89Å
101T42.8Very low55.9Low112 Ų112107.1 Ų107.169%0.68757%0.567SS**THydrogen-bonded Turntrans-75.3-3.1178.551.70000114.6S99S99-T101 PolarHBondContact O-N 3.39Å; S99-T101 VanDerWaalsContact O-N 3.12Å
102V42.9Very low53.5Low105 Ų105106.9 Ų106.964%0.63658%0.576SS**SBendtrans-149.6140.4175.4-156.20000108.2V100V100-V102 PolarHBondContact O-N 2.89Å
103D33.2Very low50.9Low147 Ų147108.2 Ų108.279%0.78660%0.6SS**  trans90.767.9173.3-58.3-26.5000119
104E35.7Very low48.6Very low206 Ų206116.4 Ų116.496%0.96364%0.644SS**  trans-90.976.2138.2-77.2-168149.700109.8
105A35.8Very low46Very low75 Ų75119.2 Ų119.262%0.6267%0.667SS**  trans-176.397.9155.700000112.6
106K32.9Very low44.2Very low210 Ų210123.9 Ų123.991%0.91370%0.695SS**  139.2111.9129.5-76.5171.6-179.61800113.2
107Q34.4Very low41.8Very low177 Ų177128.8 Ų128.883%0.82772%0.721SS**  trans-77.1151.7164-66.7169-15.800111
108Q29.4Very low39.8Very low184 Ų184135.3 Ų135.386%0.8675%0.754SS**  trans132.7113.8137.6-69.5175.112.300114.2
109Q29.2Very low37.8Very low187 Ų187141 Ų14187%0.87477%0.768SS**  trans-88-178.3163.9-112.5175.8-3.600109.5
110P49Very low36.6Very low103 Ų103142.4 Ų142.467%0.66977%0.774SS**  cis-131.7172.5-8.926.5-1.8000112.3
111T25.7Very low35.4Very low122 Ų122144 Ų14475%0.74878%0.784SS**  -174.7135.387.439.50000113.7
112T32.3Very low35.3Very low128 Ų128145.9 Ų145.979%0.78580%0.795SS**  trans29.4118.9145.259.70000121.4
113S28.1Very low35.8Very low124 Ų124143 Ų14387%0.86779%0.786SS**  -173.3142.5129.4-72.10000109.1S115S113-S115 PolarHBondContact O-N 3.48Å
114D36.3Very low37.6Very low172 Ų172141.1 Ų141.192%0.9277%0.771SS**  trans-51.8125.6-177-65.4-55.9000114.3
115S32.8Very low40Very low100 Ų100134.6 Ų134.670%0.69974%0.743SS**  trans-169.6135.5144.1-162.10000108.6S113 D117S113-S115 PolarHBondContact O-N 3.48Å; S115-D117 PolarHBondContact O-N 3.12Å
116N44.9Very low42.5Very low167 Ų167132.3 Ų132.389%0.89372%0.722SS**  trans-63.5102.1169.7-85.8-31.2000108.8
117D35Very low45.2Very low128 Ų128125.5 Ų125.568%0.68470%0.695SS**  trans-140.8101.7167.5-100.2-36.2000111.9S115 K119S115-D117 PolarHBondContact O-N 3.12Å; D117-K119 PolarHBondContact O-N 3.42Å
118I44.1Very low47.9Very low142 Ų142120.7 Ų120.773%0.72867%0.674SS**  trans9.8106.6131.1-56.1167.3000113.9
119K32.9Very low50.9Low207 Ų207113 Ų11390%0.964%0.638SS**  trans-98.495.7153.7-82.3-173.3177.3-176.90109.1D117 T121D117-K119 PolarHBondContact O-N 3.42Å; K119-T121 PolarHBondContact O-N 3.31Å
120T35.1Very low53.9Low111 Ų111104 Ų10468%0.68160%0.597SS**  trans-50.397.8168.6-22.50000110
121T31.1Very low56Low117 Ų117102.6 Ų102.672%0.71858%0.581SS**  trans-69.8138.514148.80000104.9K119 G123K119-T121 PolarHBondContact O-N 3.31Å; T121-G123 PolarHBondContact O-N 3.35Å
122V41.5Very low59.2Low152 Ų152102.6 Ų102.692%0.92157%0.572SS**  trans-72.561.3165.7-171.50000107.1
123G52.5Low62.2Low43 Ų4397.2 Ų97.244%0.44354%0.538SS..  trans-75.3144.216400000107.4T121 D125T121-G123 PolarHBondContact O-N 3.35Å; G123-D125 PolarHBondContact O-N 2.99Å
124F70.9Confident65.5Low108 Ų10891.3 Ų91.347%0.47450%0.497SS..  trans-58.4101.7170.8174.9-101.7000108.8P126 L129 A214 V220 W254F124-P126 HydrophobicContact CD1-CG 4.38Å; F124-P126 HydrophobicContact CE1-CB 4.5Å; F124-P126 HydrophobicContact CE1-CG 4.05Å; F124-P126 WeakPolarHBondContact O-CD 3.41Å; F124-L129 HydrophobicContact CE2-CB 4.24Å; F124-L129 HydrophobicContact CE2-CD1 4.11Å; F124-L129 HydrophobicContact CE2-CD2 4.33Å; F124-L129 HydrophobicContact CE2-CG 4.44Å; F124-L129 HydrophobicContact CZ-CB 4.4Å; F124-L129 HydrophobicContact CZ-CD2 4.05Å; F124-A214 HydrophobicContact CE1-CB 3.95Å; F124-V220 HydrophobicContact CE1-CG2 3.96Å; F124-V220 HydrophobicContact CZ-CG2 3.72Å; F124-W254 HydrophobicContact CD2-CZ2 4.42Å; F124-W254 HydrophobicContact CE2-CH2 4.09Å; F124-W254 AromaticContact CE2-CZ2 3.42Å; F124-W254 HydrophobicContact CE2-CZ2 3.42Å; F124-W254 VanDerWaalsContact CE2-CZ2 3.42Å; F124-W254 AromaticContact CZ-CH2 3.76Å; F124-W254 HydrophobicContact CZ-CH2 3.76Å; F124-W254 AromaticContact CZ-CZ2 3.58Å; F124-W254 HydrophobicContact CZ-CZ2 3.58Å
125D87.3Confident68.3Low69 Ų6988.8 Ų88.837%0.36948%0.48SS..  trans-92.3110.6174.6-173.6-14.7000108.4G123 L127 I128 L129G123-D125 PolarHBondContact O-N 2.99Å; D125-L127 PolarHBondContact O-N 3.29Å; D125-L127 VanDerWaalsContact OD1-CB 3.26Å; D125-L127 WeakPolarHBondContact OD1-CB 3.23Å; D125-L127 PolarHBondContact OD1-N 3.11Å; D125-I128 HydrophobicContact CB-CB 4.04Å; D125-I128 HydrophobicContact CB-CD1 3.77Å; D125-I128 HydrophobicContact CB-CG1 3.81Å; D125-I128 PolarHBondContact O-N 2.95Å; D125-L129 PolarHBondContact O-N 2.85Å
126P87.9Confident71.2Confident28 Ų2888.1 Ų88.118%0.18246%0.462CS..Hα-helixtrans-57-30.9178.1-22.634.2000112.1F124 L129 G130 A212 A214 V220F124-P126 HydrophobicContact CD1-CG 4.38Å; F124-P126 HydrophobicContact CE1-CB 4.5Å; F124-P126 HydrophobicContact CE1-CG 4.05Å; F124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-L129 PolarHBondContact O-N 3.42Å; P126-G130 PolarHBondContact O-N 3.43Å; P126-A212 VanDerWaalsContact C-CB 3.45Å; P126-A212 HydrophobicContact CB-CB 3.98Å; P126-A212 WeakPolarHBondContact O-CB 3.37Å; P126-A214 HydrophobicContact CB-CB 4.39Å; P126-A214 HydrophobicContact CG-CB 3.76Å; P126-V220 HydrophobicContact CB-CG1 4.46Å
127L89.4Confident73.7Confident67 Ų6780.2 Ų80.235%0.35142%0.42SS..Hα-helixtrans-69.1-45180-172.367.2000111.3D125 L129 G130 Q131 L210D125-L127 PolarHBondContact O-N 3.29Å; D125-L127 VanDerWaalsContact OD1-CB 3.26Å; D125-L127 WeakPolarHBondContact OD1-CB 3.23Å; D125-L127 PolarHBondContact OD1-N 3.11Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.27Å; L127-G130 PolarHBondContact O-N 2.78Å; L127-G130 VanDerWaalsContact O-N 3.16Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.37Å; L127-L210 HydrophobicContact CD1-CD2 3.42Å; L127-L210 VanDerWaalsContact CD1-CD2 3.42Å
128I90.4Very high76.7Confident75 Ų7574.3 Ų74.339%0.38539%0.388SS..Hα-helixtrans-61.4-44.4175-63.3177.8000110D125 G130 Q131 Q132D125-I128 HydrophobicContact CB-CB 4.04Å; D125-I128 HydrophobicContact CB-CD1 3.77Å; D125-I128 HydrophobicContact CB-CG1 3.81Å; D125-I128 PolarHBondContact O-N 2.95Å; I128-G130 VanDerWaalsContact C-N 3.34Å; I128-G130 PolarHBondContact O-N 3.31Å; I128-Q131 PolarHBondContact O-N 3.26Å; I128-Q132 HydrophobicContact CG2-CG 4.49Å; I128-Q132 WeakPolarHBondContact O-CG 3.22Å; I128-Q132 PolarHBondContact O-N 2.82Å
129L91.7Very high79.2Confident22 Ų2272.5 Ų72.512%0.11538%0.376CS..Hα-helixtrans-57.3-49.2173.3-178.393.6000110.7F124 D125 P126 L127 Q131 Q132 F133 V220 L244 W254F124-L129 HydrophobicContact CE2-CB 4.24Å; F124-L129 HydrophobicContact CE2-CD1 4.11Å; F124-L129 HydrophobicContact CE2-CD2 4.33Å; F124-L129 HydrophobicContact CE2-CG 4.44Å; F124-L129 HydrophobicContact CZ-CB 4.4Å; F124-L129 HydrophobicContact CZ-CD2 4.05Å; D125-L129 PolarHBondContact O-N 2.85Å; P126-L129 PolarHBondContact O-N 3.42Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.27Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.02Å; L129-Q132 PolarHBondContact O-N 3.45Å; L129-F133 WeakPolarHBondContact O-CB 3.34Å; L129-F133 PolarHBondContact O-N 3.26Å; L129-V220 HydrophobicContact CD2-CB 4.17Å; L129-V220 HydrophobicContact CD2-CG1 3.65Å; L129-V220 HydrophobicContact CD2-CG2 4.39Å; L129-L244 HydrophobicContact CD2-CD1 4.04Å; L129-W254 HydrophobicContact CD1-CD2 4.12Å; L129-W254 HydrophobicContact CD1-CG 4.05Å; L129-W254 HydrophobicContact CD1-CZ2 4.33Å; L129-W254 VanDerWaalsContact CD1-NE1 3.27Å; L129-W254 HydrophobicContact CD2-CD2 4.19Å; L129-W254 HydrophobicContact CD2-CE3 4.45Å; L129-W254 HydrophobicContact CD2-CZ2 4.43Å
130G93.5Very high82.2Confident0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-58.6-43.5-178.600000112.3P126 L127 I128 C134P126-G130 PolarHBondContact O-N 3.43Å; L127-G130 PolarHBondContact O-N 2.78Å; L127-G130 VanDerWaalsContact O-N 3.16Å; I128-G130 VanDerWaalsContact C-N 3.34Å; I128-G130 PolarHBondContact O-N 3.31Å; G130-C134 WeakPolarHBondContact O-CB 3.27Å; G130-C134 PolarHBondContact O-N 2.86Å; G130-C134 PolarHBondContact O-SG 3.02Å; G130-C134 VanDerWaalsContact O-SG 3.32Å
131Q92.5Very high85.2Confident72 Ų7258 Ų5834%0.33630%0.304SS..Hα-helixtrans-62.9-50.6176.1-73.5176.8-25.600111.9L127 I128 L129 F133 C134 Q135 L210L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.37Å; I128-Q131 PolarHBondContact O-N 3.26Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.02Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; Q131-F133 PolarHBondContact O-N 3.2Å; Q131-C134 PolarHBondContact O-N 3.14Å; Q131-Q135 WeakPolarHBondContact O-CB 3.38Å; Q131-Q135 PolarHBondContact O-N 2.63Å; Q131-L210 HydrophobicContact CG-CD1 4.2Å; Q131-L210 HydrophobicContact CG-CD2 4.13Å
132Q92.9Very high88.3Confident122 Ų12253.4 Ų53.457%0.5728%0.275SS*.Hα-helixtrans-60.8-43.8178.5-71.4177.1-14.400111.6I128 L129 W136I128-Q132 HydrophobicContact CG2-CG 4.49Å; I128-Q132 WeakPolarHBondContact O-CG 3.22Å; I128-Q132 PolarHBondContact O-N 2.82Å; L129-Q132 PolarHBondContact O-N 3.45Å; Q132-W136 VanDerWaalsContact O-CB 3.31Å; Q132-W136 WeakPolarHBondContact O-CB 3.32Å; Q132-W136 PolarHBondContact O-N 2.86Å
133F95.3Very high90.9Very high16 Ų1646.2 Ų46.27%0.0723%0.232CC..Hα-helixtrans-61.9-50.2177.1170.2-93.5000111.5L129 Q131 Q135 W136 F137 V222 F242 L244 I256L129-F133 WeakPolarHBondContact O-CB 3.34Å; L129-F133 PolarHBondContact O-N 3.26Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; Q131-F133 PolarHBondContact O-N 3.2Å; F133-Q135 PolarHBondContact O-N 3.06Å; F133-W136 AromaticContact CD2-CE3 3.95Å; F133-W136 HydrophobicContact CD2-CE3 3.95Å; F133-W136 AromaticContact CD2-CZ3 3.95Å; F133-W136 HydrophobicContact CD2-CZ3 3.95Å; F133-W136 HydrophobicContact CE2-CE3 4.06Å; F133-W136 AromaticContact CE2-CZ3 3.64Å; F133-W136 HydrophobicContact CE2-CZ3 3.64Å; F133-W136 HydrophobicContact CZ-CZ3 4.48Å; F133-W136 PolarHBondContact O-N 3.17Å; F133-F137 HydrophobicContact CE1-CB 4.26Å; F133-F137 HydrophobicContact CE1-CG 4.48Å; F133-F137 HydrophobicContact CZ-CB 4.16Å; F133-F137 HydrophobicContact CZ-CD2 4.07Å; F133-F137 HydrophobicContact CZ-CG 4.22Å; F133-F137 VanDerWaalsContact O-CB 3.22Å; F133-F137 WeakPolarHBondContact O-CB 3.32Å; F133-F137 PolarHBondContact O-N 2.91Å; F133-V222 HydrophobicContact CD1-CG1 4.35Å; F133-F242 HydrophobicContact CE1-CB 4.03Å; F133-F242 AromaticContact CE1-CD1 3.76Å; F133-F242 HydrophobicContact CE1-CD1 3.76Å; F133-F242 AromaticContact CE1-CD2 3.64Å; F133-F242 HydrophobicContact CE1-CD2 3.64Å; F133-F242 HydrophobicContact CE1-CE1 4.04Å; F133-F242 AromaticContact CE1-CE2 3.91Å; F133-F242 HydrophobicContact CE1-CE2 3.91Å; F133-F242 AromaticContact CE1-CG 3.53Å; F133-F242 HydrophobicContact CE1-CG 3.53Å; F133-F242 HydrophobicContact CE1-CZ 4.09Å; F133-F242 HydrophobicContact CZ-CB 4.28Å; F133-F242 AromaticContact CZ-CD1 3.66Å; F133-F242 HydrophobicContact CZ-CD1 3.66Å; F133-F242 HydrophobicContact CZ-CD2 4.39Å; F133-F242 AromaticContact CZ-CE1 3.99Å; F133-F242 HydrophobicContact CZ-CE1 3.99Å; F133-F242 AromaticContact CZ-CG 3.87Å; F133-F242 HydrophobicContact CZ-CG 3.87Å; F133-F242 HydrophobicContact CZ-CZ 4.46Å; F133-L244 HydrophobicContact CB-CD1 4.25Å; F133-L244 HydrophobicContact CD1-CD1 4.08Å; F133-L244 HydrophobicContact CD2-CD1 3.72Å; F133-L244 HydrophobicContact CD2-CD2 4Å; F133-L244 HydrophobicContact CE1-CD1 4.44Å; F133-L244 HydrophobicContact CE1-CD2 4.27Å; F133-L244 HydrophobicContact CE2-CD1 4.09Å; F133-L244 HydrophobicContact CE2-CD2 3.49Å; F133-L244 VanDerWaalsContact CE2-CD2 3.49Å; F133-L244 HydrophobicContact CE2-CG 4.45Å; F133-L244 HydrophobicContact CG-CD1 3.72Å; F133-L244 HydrophobicContact CZ-CD1 4.46Å; F133-L244 HydrophobicContact CZ-CD2 3.67Å; F133-I256 HydrophobicContact CE2-CD1 4.16Å; F133-I256 HydrophobicContact CE2-CG1 3.94Å; F133-I256 HydrophobicContact CZ-CD1 4.01Å; F133-I256 HydrophobicContact CZ-CG1 3.98Å
134C96.9Very high93Very high0 Ų045.8 Ų45.80%022%0.218CC..Hα-helixtrans-63.4-43.8-179.7-75.70000111.2G130 Q131 W136 F137 F138 L205 L210G130-C134 WeakPolarHBondContact O-CB 3.27Å; G130-C134 PolarHBondContact O-N 2.86Å; G130-C134 PolarHBondContact O-SG 3.02Å; G130-C134 VanDerWaalsContact O-SG 3.32Å; Q131-C134 PolarHBondContact O-N 3.14Å; C134-W136 PolarHBondContact O-N 2.87Å; C134-F137 PolarHBondContact O-N 3.12Å; C134-F138 HydrophobicContact CB-CD2 4.25Å; C134-F138 HydrophobicContact CB-CE2 4.28Å; C134-F138 WeakPolarHBondContact O-CD2 2.89Å; C134-F138 PolarHBondContact O-N 3.25Å; C134-L205 HydrophobicContact CB-CD2 3.61Å; C134-L210 HydrophobicContact CB-CD1 3.97Å
135Q95.2Very high94.2Very high118 Ų11840.7 Ų40.755%0.55120%0.196SC*.Hα-helixtrans-56.6-51.4176-176.7176.63.100110.9Q131 F133 Q139 L205Q131-Q135 WeakPolarHBondContact O-CB 3.38Å; Q131-Q135 PolarHBondContact O-N 2.63Å; F133-Q135 PolarHBondContact O-N 3.06Å; Q135-Q139 WeakPolarHBondContact O-CB 3.17Å; Q135-Q139 PolarHBondContact O-N 3.06Å; Q135-Q139 VanDerWaalsContact O-N 3.1Å; Q135-L205 HydrophobicContact CB-CD1 4.43Å
136W95.1Very high94.5Very high87 Ų8741.7 Ų41.733%0.3321%0.206SC..Hα-helixtrans-60.2-51.2177.3164.482000112.6Q132 F133 C134 Q139 I140 H159Q132-W136 VanDerWaalsContact O-CB 3.31Å; Q132-W136 WeakPolarHBondContact O-CB 3.32Å; Q132-W136 PolarHBondContact O-N 2.86Å; F133-W136 AromaticContact CD2-CE3 3.95Å; F133-W136 HydrophobicContact CD2-CE3 3.95Å; F133-W136 AromaticContact CD2-CZ3 3.95Å; F133-W136 HydrophobicContact CD2-CZ3 3.95Å; F133-W136 HydrophobicContact CE2-CE3 4.06Å; F133-W136 AromaticContact CE2-CZ3 3.64Å; F133-W136 HydrophobicContact CE2-CZ3 3.64Å; F133-W136 HydrophobicContact CZ-CZ3 4.48Å; F133-W136 PolarHBondContact O-N 3.17Å; C134-W136 PolarHBondContact O-N 2.87Å; W136-Q139 PolarHBondContact O-N 2.71Å; W136-I140 HydrophobicContact CD2-CD1 4.45Å; W136-I140 HydrophobicContact CG-CD1 4.4Å; W136-I140 HydrophobicContact CZ2-CD1 4.16Å; W136-I140 WeakPolarHBondContact O-CG1 3.39Å; W136-I140 PolarHBondContact O-N 3.24Å; W136-H159 HydrophobicContact CH2-CB 4.07Å; W136-H159 AromaticContact CH2-CG 3.95Å; W136-H159 AromaticContact CZ2-CE1 3.94Å; W136-H159 AromaticContact CZ2-CG 3.98Å; W136-H159 AromaticContact CZ2-ND1 3.71Å
137F97.5Very high94.7Very high1 Ų143.1 Ų43.10%0.00422%0.217CC..Hα-helixtrans-61.5-52.5-173.4177.9-92.3000111.5F133 C134 Q139 I140 L141 W155 L190 F242 I256F133-F137 HydrophobicContact CE1-CB 4.26Å; F133-F137 HydrophobicContact CE1-CG 4.48Å; F133-F137 HydrophobicContact CZ-CB 4.16Å; F133-F137 HydrophobicContact CZ-CD2 4.07Å; F133-F137 HydrophobicContact CZ-CG 4.22Å; F133-F137 VanDerWaalsContact O-CB 3.22Å; F133-F137 WeakPolarHBondContact O-CB 3.32Å; F133-F137 PolarHBondContact O-N 2.91Å; C134-F137 PolarHBondContact O-N 3.12Å; F137-Q139 VanDerWaalsContact C-N 3.35Å; F137-I140 PolarHBondContact O-N 3.18Å; F137-L141 HydrophobicContact CD1-CD2 4.5Å; F137-L141 HydrophobicContact CE1-CD2 3.68Å; F137-L141 HydrophobicContact CZ-CD2 4.05Å; F137-L141 WeakPolarHBondContact O-CB 3.26Å; F137-L141 PolarHBondContact O-N 3.23Å; F137-W155 HydrophobicContact CD2-CH2 4.38Å; F137-W155 HydrophobicContact CD2-CZ3 4.3Å; F137-W155 AromaticContact CE2-CH2 3.64Å; F137-W155 HydrophobicContact CE2-CH2 3.64Å; F137-W155 HydrophobicContact CE2-CZ3 4Å; F137-W155 AromaticContact CZ-CH2 3.99Å; F137-W155 HydrophobicContact CZ-CH2 3.99Å; F137-L190 HydrophobicContact CZ-CD1 4.18Å; F137-F242 HydrophobicContact CD1-CE1 4.16Å; F137-F242 AromaticContact CD1-CZ 3.76Å; F137-F242 HydrophobicContact CD1-CZ 3.76Å; F137-F242 HydrophobicContact CD2-CE1 4.24Å; F137-F242 AromaticContact CE1-CE1 3.81Å; F137-F242 HydrophobicContact CE1-CE1 3.81Å; F137-F242 AromaticContact CE1-CZ 3.57Å; F137-F242 HydrophobicContact CE1-CZ 3.57Å; F137-F242 AromaticContact CE2-CE1 3.88Å; F137-F242 HydrophobicContact CE2-CE1 3.88Å; F137-F242 HydrophobicContact CE2-CZ 4.44Å; F137-F242 HydrophobicContact CG-CE1 4.37Å; F137-F242 HydrophobicContact CG-CZ 4.29Å; F137-F242 AromaticContact CZ-CE1 3.66Å; F137-F242 HydrophobicContact CZ-CE1 3.66Å; F137-F242 AromaticContact CZ-CZ 3.94Å; F137-F242 HydrophobicContact CZ-CZ 3.94Å; F137-I256 HydrophobicContact CD2-CD1 3.93Å; F137-I256 HydrophobicContact CE2-CD1 3.76Å
138F97.3Very high94.7Very high4 Ų443.2 Ų43.22%0.01822%0.218CC..Hα-helixtrans-72.1-30.2-178.2-68.7-69.5000112.1C134 N142 F201 P203 V224 F238 Q240 F242C134-F138 HydrophobicContact CB-CD2 4.25Å; C134-F138 HydrophobicContact CB-CE2 4.28Å; C134-F138 WeakPolarHBondContact O-CD2 2.89Å; C134-F138 PolarHBondContact O-N 3.25Å; F138-N142 WeakPolarHBondContact O-CB 3.31Å; F138-N142 PolarHBondContact O-N 2.99Å; F138-N142 PolarHBondContact O-ND2 3.21Å; F138-F201 HydrophobicContact CD1-CB 3.49Å; F138-F201 VanDerWaalsContact CD1-CB 3.49Å; F138-F201 HydrophobicContact CD1-CG 4.15Å; F138-F201 HydrophobicContact CE1-CB 3.8Å; F138-F201 HydrophobicContact CE1-CD1 4.18Å; F138-F201 HydrophobicContact CE1-CG 4.11Å; F138-F201 HydrophobicContact CG-CB 4.48Å; F138-P203 HydrophobicContact CB-CG 4.07Å; F138-P203 HydrophobicContact CD2-CB 3.62Å; F138-P203 HydrophobicContact CD2-CG 3.56Å; F138-P203 HydrophobicContact CE2-CB 3.78Å; F138-P203 HydrophobicContact CE2-CG 4.24Å; F138-P203 HydrophobicContact CG-CB 4.3Å; F138-P203 HydrophobicContact CG-CG 3.93Å; F138-V224 HydrophobicContact CE2-CG1 3.79Å; F138-V224 HydrophobicContact CE2-CG2 4.41Å; F138-V224 HydrophobicContact CZ-CG1 3.94Å; F138-F238 AromaticContact CE1-CE2 3.91Å; F138-F238 HydrophobicContact CE1-CE2 3.91Å; F138-F238 AromaticContact CE1-CZ 3.84Å; F138-F238 HydrophobicContact CE1-CZ 3.84Å; F138-F238 HydrophobicContact CE2-CZ 4.45Å; F138-F238 AromaticContact CZ-CE2 3.59Å; F138-F238 HydrophobicContact CZ-CE2 3.59Å; F138-F238 AromaticContact CZ-CZ 3.74Å; F138-F238 HydrophobicContact CZ-CZ 3.74Å; F138-Q240 VanDerWaalsContact CZ-OE1 3.27Å; F138-F242 HydrophobicContact CZ-CE2 4.38Å; F138-F242 HydrophobicContact CZ-CZ 4.29Å
139Q95.4Very high94.5Very high103 Ų10343.2 Ų43.248%0.48124%0.236SC..Hα-helixtrans-62.7-49.8173.5-177.2-176.1-11.800111.4Q135 W136 F137 S143Q135-Q139 WeakPolarHBondContact O-CB 3.17Å; Q135-Q139 PolarHBondContact O-N 3.06Å; Q135-Q139 VanDerWaalsContact O-N 3.1Å; W136-Q139 PolarHBondContact O-N 2.71Å; F137-Q139 VanDerWaalsContact C-N 3.35Å; Q139-S143 WeakPolarHBondContact O-CB 3.49Å; Q139-S143 PolarHBondContact O-N 2.84Å; Q139-S143 VanDerWaalsContact O-N 3.08Å
140I96.7Very high94.4Very high12 Ų1247.6 Ų47.66%0.06226%0.256CS..Hα-helixtrans-67.4-44.6178.7-63.6-177.2000110.5W136 F137 N142 S143 Q144 Q153 D154 W155W136-I140 HydrophobicContact CD2-CD1 4.45Å; W136-I140 HydrophobicContact CG-CD1 4.4Å; W136-I140 HydrophobicContact CZ2-CD1 4.16Å; W136-I140 WeakPolarHBondContact O-CG1 3.39Å; W136-I140 PolarHBondContact O-N 3.24Å; F137-I140 PolarHBondContact O-N 3.18Å; I140-N142 PolarHBondContact O-N 3.24Å; I140-S143 PolarHBondContact O-N 3.03Å; I140-S143 PolarHBondContact O-OG 2.94Å; I140-Q144 PolarHBondContact O-NE2 3.5Å; I140-Q153 HydrophobicContact CB-CB 4.45Å; I140-Q153 HydrophobicContact CG1-CB 4.16Å; I140-Q153 HydrophobicContact CG2-CB 4.05Å; I140-D154 WeakPolarHBondContact CG2-O 3.24Å; I140-W155 HydrophobicContact CG2-CB 4.22Å; I140-W155 HydrophobicContact CG2-CE3 3.8Å
141L97.2Very high94.3Very high1 Ų156 Ų561%0.00530%0.295CS..Hα-helixtrans-62.4-44.1-178.6-17863.9000112.1F137 S143 Q144 W155 L190 T194 F201F137-L141 HydrophobicContact CD1-CD2 4.5Å; F137-L141 HydrophobicContact CE1-CD2 3.68Å; F137-L141 HydrophobicContact CZ-CD2 4.05Å; F137-L141 WeakPolarHBondContact O-CB 3.26Å; F137-L141 PolarHBondContact O-N 3.23Å; L141-S143 VanDerWaalsContact C-N 3.34Å; L141-Q144 WeakPolarHBondContact O-CB 3.36Å; L141-Q144 WeakPolarHBondContact O-CG 3.3Å; L141-Q144 PolarHBondContact O-N 2.77Å; L141-W155 HydrophobicContact CB-CH2 4.5Å; L141-W155 HydrophobicContact CB-CZ3 4.21Å; L141-W155 HydrophobicContact CD1-CH2 3.84Å; L141-W155 HydrophobicContact CD1-CZ2 3.88Å; L141-W155 HydrophobicContact CD1-CZ3 4.22Å; L141-L190 HydrophobicContact CD1-CB 4.18Å; L141-T194 HydrophobicContact CD1-CG2 4.06Å; L141-T194 HydrophobicContact CD2-CG2 4.28Å; L141-T194 HydrophobicContact CG-CG2 3.69Å; L141-T194 WeakPolarHBondContact O-CB 3.35Å; L141-T194 PolarHBondContact O-OG1 2.87Å; L141-F201 HydrophobicContact CD2-CD2 4.33Å
142N97.1Very high94.3Very high21 Ų2157 Ų5711%0.11231%0.307CS..Hα-helixtrans-70.3-29.4177.6-71.8-24.4000112.4F138 I140 Q144 N145 L148 F201F138-N142 WeakPolarHBondContact O-CB 3.31Å; F138-N142 PolarHBondContact O-N 2.99Å; F138-N142 PolarHBondContact O-ND2 3.21Å; I140-N142 PolarHBondContact O-N 3.24Å; N142-Q144 PolarHBondContact O-N 3.05Å; N142-N145 VanDerWaalsContact O-CB 3.25Å; N142-N145 WeakPolarHBondContact O-CB 3.49Å; N142-N145 PolarHBondContact O-N 3.29Å; N142-L148 HydrophobicContact CB-CD1 4.14Å; N142-L148 WeakPolarHBondContact O-CD1 3.36Å; N142-F201 PolarHBondContact ND2-O 3.28Å; N142-F201 PolarHBondContact OD1-N 3.17Å
143S96.4Very high94.3Very high2 Ų254.9 Ų54.91%0.01430%0.298CS..Hα-helixtrans-60.6-17.1176.175.60000113.3Q139 I140 L141 N145 Q153Q139-S143 WeakPolarHBondContact O-CB 3.49Å; Q139-S143 PolarHBondContact O-N 2.84Å; Q139-S143 VanDerWaalsContact O-N 3.08Å; I140-S143 PolarHBondContact O-N 3.03Å; I140-S143 PolarHBondContact O-OG 2.94Å; L141-S143 VanDerWaalsContact C-N 3.34Å; S143-N145 VanDerWaalsContact C-N 3.27Å; S143-Q153 PolarHBondContact OG-N 3.46Å
144Q96.2Very high94.3Very high33 Ų3359.6 Ų59.615%0.15432%0.323CS..THydrogen-bonded Turntrans-78.5-9.1174.3-48.1-57.1-50.400113.3I140 L141 N142 P146 Q153 W155 L191 S195I140-Q144 PolarHBondContact O-NE2 3.5Å; L141-Q144 WeakPolarHBondContact O-CB 3.36Å; L141-Q144 WeakPolarHBondContact O-CG 3.3Å; L141-Q144 PolarHBondContact O-N 2.77Å; N142-Q144 PolarHBondContact O-N 3.05Å; Q144-P146 WeakPolarHBondContact O-CD 3.32Å; Q144-Q153 PolarHBondContact NE2-O 3.49Å; Q144-W155 HydrophobicContact CG-CB 4.35Å; Q144-L191 HydrophobicContact CB-CD1 3.5Å; Q144-L191 VanDerWaalsContact CB-CD1 3.5Å; Q144-L191 HydrophobicContact CG-CD1 3.54Å; Q144-S195 WeakPolarHBondContact O-CB 3.48Å
145N96.4Very high94.2Very high2 Ų261 Ų611%0.01133%0.329CS..  trans-81116.1179.7-171.4-37.4000110.2N142 S143 S147 L148 T194 R198 L199 V200N142-N145 VanDerWaalsContact O-CB 3.25Å; N142-N145 WeakPolarHBondContact O-CB 3.49Å; N142-N145 PolarHBondContact O-N 3.29Å; S143-N145 VanDerWaalsContact C-N 3.27Å; N145-S147 PolarHBondContact O-N 3.28Å; N145-S147 VanDerWaalsContact OD1-CB 3.31Å; N145-S147 WeakPolarHBondContact OD1-CB 3.46Å; N145-S147 PolarHBondContact OD1-N 3.19Å; N145-L148 HydrophobicContact CB-CD1 4.35Å; N145-L148 HydrophobicContact CB-CG 4.32Å; N145-L148 PolarHBondContact O-N 3.05Å; N145-T194 WeakPolarHBondContact CA-O 3.48Å; N145-T194 WeakPolarHBondContact CB-O 3.36Å; N145-T194 PolarHBondContact ND2-O 3.29Å; N145-R198 PolarHBondContact ND2-O 2.94Å; N145-R198 VanDerWaalsContact ND2-O 3.14Å; N145-L199 PolarHBondContact ND2-O 3.47Å; N145-V200 VanDerWaalsContact ND2-CG2 3.25Å; N145-V200 WeakPolarHBondContact ND2-CG2 3.5Å
146P93.5Very high94.2Very high89 Ų8955.6 Ų55.658%0.57831%0.305SS*.G310 helixtrans-64.6-24.1-176.126.8-35.1000113.3Q144 L148 G149Q144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-L148 PolarHBondContact O-N 3.19Å; P146-G149 PolarHBondContact O-N 2.88Å
147S90.9Very high94.2Very high58 Ų5853.9 Ų53.941%0.40631%0.305SS..G310 helixtrans-66.5-20.3178.7-670000113.2N145 G149 D231N145-S147 PolarHBondContact O-N 3.28Å; N145-S147 VanDerWaalsContact OD1-CB 3.31Å; N145-S147 WeakPolarHBondContact OD1-CB 3.46Å; N145-S147 PolarHBondContact OD1-N 3.19Å; S147-G149 VanDerWaalsContact C-N 3.35Å; S147-D231 PolarHBondContact OG-OD1 2.92Å
148L90.1Very high94.1Very high70 Ų7057.5 Ų57.537%0.36632%0.322SS..G310 helixtrans-81.7-12.8-179.2-64.1-177.6000113.4N142 N145 P146 Q150 V200N142-L148 HydrophobicContact CB-CD1 4.14Å; N142-L148 WeakPolarHBondContact O-CD1 3.36Å; N145-L148 HydrophobicContact CB-CD1 4.35Å; N145-L148 HydrophobicContact CB-CG 4.32Å; N145-L148 PolarHBondContact O-N 3.05Å; P146-L148 PolarHBondContact O-N 3.19Å; L148-Q150 HydrophobicContact CB-CG 4.25Å; L148-Q150 PolarHBondContact O-N 3.33Å; L148-Q150 VanDerWaalsContact O-N 3.1Å; L148-V200 HydrophobicContact CD1-CG2 4.4Å; L148-V200 HydrophobicContact CD2-CG2 4.24Å; L148-V200 HydrophobicContact CG-CG2 4.39Å
149G86.4Confident93.9Very high74 Ų7458.7 Ų58.776%0.76333%0.327SS*.  trans62.814.4179.700000114.9P146 S147P146-G149 PolarHBondContact O-N 2.88Å; S147-G149 VanDerWaalsContact C-N 3.35Å
150Q89.3Confident93.9Very high115 Ų11554 Ų5454%0.53731%0.305SS..PPolyproline II helixtrans-88.3154178.8-64.8176.8-500110.5L148 P152L148-Q150 HydrophobicContact CB-CG 4.25Å; L148-Q150 PolarHBondContact O-N 3.33Å; L148-Q150 VanDerWaalsContact O-N 3.1Å; Q150-P152 WeakPolarHBondContact O-CD 3.26Å
151Q91Very high93.8Very high177 Ų17756.1 Ų56.183%0.82731%0.312SS*.PPolyproline II helixtrans-69128.5168.9-77.3-166.2-7.400109.8Q153Q151-Q153 PolarHBondContact O-N 3.33Å
152P92.7Very high93.7Very high91 Ų9160.6 Ų60.659%0.59134%0.342SS*.PPolyproline II helixtrans-61131.3177.2-23.333.9000111.5Q150Q150-P152 WeakPolarHBondContact O-CD 3.26Å
153Q94.4Very high93.6Very high79 Ų7963.3 Ų63.337%0.36936%0.356SS..PPolyproline II helixtrans-81.2168.2172.2-65.7-17554.700111.2I140 S143 Q144 Q151 W155I140-Q153 HydrophobicContact CB-CB 4.45Å; I140-Q153 HydrophobicContact CG1-CB 4.16Å; I140-Q153 HydrophobicContact CG2-CB 4.05Å; S143-Q153 PolarHBondContact OG-N 3.46Å; Q144-Q153 PolarHBondContact NE2-O 3.49Å; Q151-Q153 PolarHBondContact O-N 3.33Å; Q153-W155 PolarHBondContact O-N 2.99Å; Q153-W155 VanDerWaalsContact O-N 3.15Å
154D93.8Very high93.7Very high114 Ų11463.2 Ų63.261%0.6136%0.355SS*.  trans-64.8112.7-179.7-179.838.6000112.1I140 Q158 H159I140-D154 WeakPolarHBondContact CG2-O 3.24Å; D154-Q158 VanDerWaalsContact CG-NE2 3.27Å; D154-Q158 PolarHBondContact OD1-NE2 2.98Å; D154-Q158 VanDerWaalsContact OD1-NE2 3.13Å; D154-Q158 PolarHBondContact OD2-NE2 2.81Å; D154-H159 PolarHBondContact O-NE2 3.4Å; D154-H159 VanDerWaalsContact O-NE2 3.14Å
155W95.3Very high93.8Very high30 Ų3067.1 Ų67.111%0.11437%0.372CS..  trans-127.2132.7178.7178.5-95.4000110.3F137 I140 L141 Q144 Q153 F160 S187 L190F137-W155 HydrophobicContact CD2-CH2 4.38Å; F137-W155 HydrophobicContact CD2-CZ3 4.3Å; F137-W155 AromaticContact CE2-CH2 3.64Å; F137-W155 HydrophobicContact CE2-CH2 3.64Å; F137-W155 HydrophobicContact CE2-CZ3 4Å; F137-W155 AromaticContact CZ-CH2 3.99Å; F137-W155 HydrophobicContact CZ-CH2 3.99Å; I140-W155 HydrophobicContact CG2-CB 4.22Å; I140-W155 HydrophobicContact CG2-CE3 3.8Å; L141-W155 HydrophobicContact CB-CH2 4.5Å; L141-W155 HydrophobicContact CB-CZ3 4.21Å; L141-W155 HydrophobicContact CD1-CH2 3.84Å; L141-W155 HydrophobicContact CD1-CZ2 3.88Å; L141-W155 HydrophobicContact CD1-CZ3 4.22Å; Q144-W155 HydrophobicContact CG-CB 4.35Å; Q153-W155 PolarHBondContact O-N 2.99Å; Q153-W155 VanDerWaalsContact O-N 3.15Å; W155-F160 HydrophobicContact CH2-CE2 4.46Å; W155-F160 AromaticContact CH2-CZ 3.84Å; W155-F160 HydrophobicContact CH2-CZ 3.84Å; W155-F160 HydrophobicContact CZ2-CE2 4.21Å; W155-F160 AromaticContact CZ2-CZ 3.78Å; W155-F160 HydrophobicContact CZ2-CZ 3.78Å; W155-S187 PolarHBondContact NE1-O 2.6Å; W155-S187 VanDerWaalsContact NE1-O 3.08Å; W155-S187 PolarHBondContact NE1-OG 2.98Å; W155-S187 VanDerWaalsContact NE1-OG 3.08Å; W155-L190 HydrophobicContact CH2-CB 4.42Å; W155-L190 HydrophobicContact CH2-CD1 4.08Å; W155-L190 HydrophobicContact CZ2-CB 3.75Å; W155-L190 HydrophobicContact CZ2-CD1 3.92Å
156G95.3Very high93.8Very high5 Ų567.1 Ų67.15%0.05237%0.372CS..SBendtrans177.9-173.1176.400000114.3Q158 F160 S187G156-Q158 PolarHBondContact O-N 2.96Å; G156-Q158 VanDerWaalsContact O-N 3.17Å; G156-Q158 PolarHBondContact O-OE1 3.09Å; G156-F160 WeakPolarHBondContact O-CE2 3.36Å; G156-S187 WeakPolarHBondContact CA-OG 3.49Å
157P96.1Very high94Very high50 Ų5068 Ų6833%0.32536%0.364SS..G310 helixtrans-64.2-17.4-176.526.2-34.7000113.9H159 F160 A183 E184P157-H159 PolarHBondContact O-N 3.49Å; P157-H159 VanDerWaalsContact O-N 3.11Å; P157-F160 PolarHBondContact O-N 3.08Å; P157-A183 HydrophobicContact CB-CB 3.72Å; P157-E184 HydrophobicContact CB-CG 4.35Å; P157-E184 HydrophobicContact CG-CG 4.47Å
158Q93.5Very high94.3Very high78 Ų7865.4 Ų65.436%0.36435%0.345SS..G310 helixtrans-58.4-26.4-178.765.9-85.223.600114D154 G156 F160 K255D154-Q158 VanDerWaalsContact CG-NE2 3.27Å; D154-Q158 PolarHBondContact OD1-NE2 2.98Å; D154-Q158 VanDerWaalsContact OD1-NE2 3.13Å; D154-Q158 PolarHBondContact OD2-NE2 2.81Å; G156-Q158 PolarHBondContact O-N 2.96Å; G156-Q158 VanDerWaalsContact O-N 3.17Å; G156-Q158 PolarHBondContact O-OE1 3.09Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 2.69Å; Q158-K255 WeakPolarHBondContact O-CE 3.5Å; Q158-K255 PolarHBondContact O-NZ 3.35Å
159H94.1Very high94.4Very high29 Ų2964 Ų6413%0.13434%0.338CS..G310 helixtrans-77.2-11.2-179.4-58.9-38.8000113.6W136 D154 P157 I256W136-H159 HydrophobicContact CH2-CB 4.07Å; W136-H159 AromaticContact CH2-CG 3.95Å; W136-H159 AromaticContact CZ2-CE1 3.94Å; W136-H159 AromaticContact CZ2-CG 3.98Å; W136-H159 AromaticContact CZ2-ND1 3.71Å; D154-H159 PolarHBondContact O-NE2 3.4Å; D154-H159 VanDerWaalsContact O-NE2 3.14Å; P157-H159 PolarHBondContact O-N 3.49Å; P157-H159 VanDerWaalsContact O-N 3.11Å; H159-I256 PolarHBondContact O-N 2.89Å; H159-I256 VanDerWaalsContact O-N 3.14Å
160F95.8Very high94.6Very high3 Ų362.2 Ų62.21%0.01331%0.314CS..EExtended strand (participates in β ladder)trans-114.1157.9-173.2-52.1-91.5000111.5W155 G156 P157 Q158 V164 A183 V186 L190 I256 I259W155-F160 HydrophobicContact CH2-CE2 4.46Å; W155-F160 AromaticContact CH2-CZ 3.84Å; W155-F160 HydrophobicContact CH2-CZ 3.84Å; W155-F160 HydrophobicContact CZ2-CE2 4.21Å; W155-F160 AromaticContact CZ2-CZ 3.78Å; W155-F160 HydrophobicContact CZ2-CZ 3.78Å; G156-F160 WeakPolarHBondContact O-CE2 3.36Å; P157-F160 PolarHBondContact O-N 3.08Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 2.69Å; F160-V164 HydrophobicContact CB-CB 4.13Å; F160-V164 HydrophobicContact CB-CG1 3.77Å; F160-V164 HydrophobicContact CB-CG2 4.5Å; F160-V164 HydrophobicContact CD1-CG1 4.29Å; F160-V164 HydrophobicContact CD1-CG2 4.06Å; F160-V164 HydrophobicContact CG-CG1 4.27Å; F160-A183 HydrophobicContact CB-CB 3.96Å; F160-V186 HydrophobicContact CD1-CG1 4.13Å; F160-V186 HydrophobicContact CE1-CG1 3.91Å; F160-V186 HydrophobicContact CZ-CG1 4.49Å; F160-L190 HydrophobicContact CE1-CD1 3.91Å; F160-L190 HydrophobicContact CZ-CD1 3.82Å; F160-I256 HydrophobicContact CD1-CB 3.75Å; F160-I256 HydrophobicContact CD1-CD1 3.91Å; F160-I256 HydrophobicContact CD1-CG1 4.4Å; F160-I256 HydrophobicContact CD1-CG2 4.06Å; F160-I256 HydrophobicContact CE1-CB 4.28Å; F160-I256 HydrophobicContact CE1-CD1 3.62Å; F160-I256 HydrophobicContact CE1-CG2 4.4Å; F160-I256 HydrophobicContact CZ-CD1 4.29Å; F160-I259 HydrophobicContact CE1-CD1 3.96Å
161W95.1Very high94.4Very high57 Ų5762 Ų6222%0.21631%0.308CS..EExtended strand (participates in β ladder)trans-71.5146.6161.5-78.1100.4000110D163 V164 I245 K255 I256 K257W161-D163 PolarHBondContact O-N 3.04Å; W161-D163 VanDerWaalsContact O-N 3.1Å; W161-V164 WeakPolarHBondContact O-CB 3.27Å; W161-V164 WeakPolarHBondContact O-CG1 3.5Å; W161-V164 PolarHBondContact O-N 3.25Å; W161-I245 HydrophobicContact CZ2-CG2 4.14Å; W161-I245 PolarHBondContact NE1-O 3.39Å; W161-K255 HydrophobicContact CD2-CB 4.43Å; W161-K255 HydrophobicContact CG-CB 4.21Å; W161-I256 PolarHBondContact N-O 3.33Å; W161-K257 HydrophobicContact CB-CD 4.22Å; W161-K257 HydrophobicContact CG-CD 4.29Å
162P94.9Very high93.7Very high96 Ų9656.3 Ų56.362%0.62329%0.291SS*.EExtended strand (participates in β ladder)trans-55.6-32.6-177.4-27.736.4000113.8G182 A183P162-G182 WeakPolarHBondContact O-CA 3.21Å; P162-A183 PolarHBondContact O-N 3.47Å
163D94.8Very high92.8Very high77 Ų7758.5 Ų58.541%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-100.125.618069.9-27.3000113.5W161 K257W161-D163 PolarHBondContact O-N 3.04Å; W161-D163 VanDerWaalsContact O-N 3.1Å; D163-K257 IonicContact OD1-NZ 2.63Å; D163-K257 PolarHBondContact OD1-NZ 3.15Å; D163-K257 IonicContact OD2-NZ 2.98Å; D163-K257 PolarHBondContact OD2-NZ 3.09Å
164V97.9Very high92.1Very high0 Ų059 Ų590%031%0.312CS..EExtended strand (participates in β ladder)trans-55.8145.4176.362.80000111.8F160 W161 Q181 G182 A183 V186 I256 K257F160-V164 HydrophobicContact CB-CB 4.13Å; F160-V164 HydrophobicContact CB-CG1 3.77Å; F160-V164 HydrophobicContact CB-CG2 4.5Å; F160-V164 HydrophobicContact CD1-CG1 4.29Å; F160-V164 HydrophobicContact CD1-CG2 4.06Å; F160-V164 HydrophobicContact CG-CG1 4.27Å; W161-V164 WeakPolarHBondContact O-CB 3.27Å; W161-V164 WeakPolarHBondContact O-CG1 3.5Å; W161-V164 PolarHBondContact O-N 3.25Å; V164-Q181 WeakPolarHBondContact O-CA 3.49Å; V164-G182 PolarHBondContact O-N 3.11Å; V164-A183 HydrophobicContact CG1-CB 4.27Å; V164-V186 HydrophobicContact CG1-CB 3.91Å; V164-V186 HydrophobicContact CG1-CG1 4.24Å; V164-V186 HydrophobicContact CG1-CG2 3.87Å; V164-V186 HydrophobicContact CG2-CG1 4.34Å; V164-I256 HydrophobicContact CG2-CG2 4.22Å; V164-K257 VanDerWaalsContact CA-O 3.32Å; V164-K257 WeakPolarHBondContact CA-O 3.47Å
165K97.5Very high91.8Very high116 Ų11658.6 Ų58.650%0.50431%0.306SS..EExtended strand (participates in β ladder)trans-119.1135.6173.1-63.2-177.6179-175.70111.2F180 Q181 K257 F258 I259K165-F180 CarbonylContact C-O 3.6Å; K165-F180 WeakPolarHBondContact CA-O 3.43Å; K165-Q181 HydrophobicContact CG-CG 4.21Å; K165-K257 PolarHBondContact N-O 3.29Å; K165-F258 CarbonylContact O-C 3.54Å; K165-F258 WeakPolarHBondContact O-CA 3.36Å; K165-I259 PolarHBondContact O-N 2.87Å
166L98.1Very high91.6Very high1 Ų162.4 Ų62.41%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-114.5124.9169.616864.4000108.7E179 F180 V186 R189 L190 I259 L261L166-E179 CarbonylContact O-C 3.55Å; L166-E179 WeakPolarHBondContact O-CA 3.32Å; L166-F180 HydrophobicContact CB-CB 4.26Å; L166-F180 HydrophobicContact CB-CD2 4.45Å; L166-F180 HydrophobicContact CD2-CD2 3.86Å; L166-F180 HydrophobicContact CG-CD2 4.12Å; L166-F180 PolarHBondContact N-O 3.44Å; L166-F180 PolarHBondContact O-N 3.49Å; L166-V186 HydrophobicContact CB-CB 4.45Å; L166-V186 HydrophobicContact CB-CG1 3.99Å; L166-V186 HydrophobicContact CB-CG2 3.77Å; L166-V186 HydrophobicContact CD2-CG1 4.47Å; L166-R189 HydrophobicContact CD2-CB 4.22Å; L166-R189 HydrophobicContact CD2-CG 4.02Å; L166-L190 HydrophobicContact CD2-CD2 4.38Å; L166-L190 HydrophobicContact CD2-CG 4.35Å; L166-I259 CarbonylContact C-O 3.58Å; L166-I259 WeakPolarHBondContact CA-O 3.45Å; L166-I259 HydrophobicContact CD1-CB 3.71Å; L166-I259 HydrophobicContact CD1-CG2 3.56Å; L166-L261 HydrophobicContact CD1-CB 4.32Å
167R97.6Very high91.5Very high108 Ų10867.7 Ų67.741%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-108118165.4-64.1-172.1-70.4-179.4-5.7108.5M177 E179 I259 N260 L261R167-M177 HydrophobicContact CG-CE 4.46Å; R167-E179 WeakPolarHBondContact CD-OE1 3.4Å; R167-E179 HydrophobicContact CG-CG 4.01Å; R167-E179 WeakPolarHBondContact CG-OE1 3.37Å; R167-I259 PolarHBondContact N-O 3.02Å; R167-N260 VanDerWaalsContact CZ-OD1 3.29Å; R167-N260 PolarHBondContact NE-OD1 2.93Å; R167-N260 VanDerWaalsContact NH2-CG 3.34Å; R167-N260 PolarHBondContact NH2-ND2 3.04Å; R167-N260 VanDerWaalsContact NH2-ND2 3.14Å; R167-N260 PolarHBondContact NH2-OD1 2.94Å; R167-N260 CarbonylContact O-C 3.58Å; R167-N260 WeakPolarHBondContact O-CA 3.49Å; R167-L261 PolarHBondContact O-N 2.83Å
168L95.8Very high91.4Very high4 Ų469 Ų692%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-111.2116.3179.7175.758.9000109.2M177 E178 L261 I263L168-M177 WeakPolarHBondContact O-CA 3.36Å; L168-E178 HydrophobicContact CB-CB 4.43Å; L168-E178 PolarHBondContact N-O 3.31Å; L168-E178 PolarHBondContact O-N 3.3Å; L168-L261 CarbonylContact C-O 3.51Å; L168-L261 WeakPolarHBondContact CA-O 3.39Å; L168-L261 HydrophobicContact CD1-CB 4.05Å; L168-L261 HydrophobicContact CD1-CD2 3.82Å; L168-L261 HydrophobicContact CD1-CG 3.73Å; L168-I263 HydrophobicContact CD1-CD1 4.08Å; L168-I263 HydrophobicContact CD1-CG1 4.4Å
169L93.4Very high91.6Very high39 Ų3971.4 Ų71.420%0.20436%0.363CS..EExtended strand (participates in β ladder)trans-108.1114.8172.5-174.173000108.5E175 Q176 M177 L261 K262 I263L169-E175 HydrophobicContact CD1-CG 3.67Å; L169-E175 HydrophobicContact CG-CG 4.41Å; L169-Q176 WeakPolarHBondContact CA-O 3.31Å; L169-M177 HydrophobicContact CD1-CB 4.09Å; L169-L261 PolarHBondContact N-O 3.29Å; L169-K262 HydrophobicContact CB-CG 4.13Å; L169-K262 HydrophobicContact CD2-CD 4.27Å; L169-K262 HydrophobicContact CD2-CG 4.1Å; L169-K262 CarbonylContact O-C 3.58Å; L169-K262 WeakPolarHBondContact O-CA 3.28Å; L169-I263 PolarHBondContact O-N 2.68Å
170S89.8Confident91.8Very high38 Ų3872 Ų7227%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-111.3130.7176-1750000110.3E175 Q176S170-E175 WeakPolarHBondContact O-CA 3.45Å; S170-Q176 PolarHBondContact N-O 3.36Å; S170-Q176 PolarHBondContact O-N 2.83Å
171R86.3Confident91.8Very high110 Ų11077.9 Ų77.942%0.41539%0.393SS..EExtended strand (participates in β ladder)trans-124.392.7172.6-173.3-172.1-60.9-109.6-1.6108.8E175 I263 R264 G265R171-E175 IonicContact CZ-OE2 2.75Å; R171-E175 VanDerWaalsContact CZ-OE2 3.22Å; R171-E175 IonicContact NE-OE2 3.79Å; R171-E175 IonicContact NH1-OE2 2.81Å; R171-E175 IonicContact NH2-OE2 2.77Å; R171-E175 PolarHBondContact NH2-OE2 3.15Å; R171-I263 PolarHBondContact N-O 3Å; R171-R264 HydrophobicContact CB-CG 4.31Å; R171-R264 WeakPolarHBondContact O-CA 3.39Å; R171-G265 PolarHBondContact O-N 3.39Å
172A75.8Confident91.9Very high57 Ų5775.8 Ų75.847%0.47139%0.389SS..SBendtrans-99.3-91.9165.700000108.3
173T72.6Confident92.1Very high137 Ų13771.4 Ų71.484%0.8436%0.361SS*.SBendtrans-95.1-34174.3-340000112.5
174T80Confident92.2Very high89 Ų8973.3 Ų73.355%0.54637%0.367SS..SBendtrans-126.3153.3173.657.40000109.3Q176T174-Q176 PolarHBondContact OG1-NE2 3.24Å
175E87.3Confident92.2Very high106 Ų10676.8 Ų76.850%0.49539%0.388SS..EExtended strand (participates in β ladder)trans-79.9124.3172.4-171.9173.2138.100109.4L169 S170 R171L169-E175 HydrophobicContact CD1-CG 3.67Å; L169-E175 HydrophobicContact CG-CG 4.41Å; S170-E175 WeakPolarHBondContact O-CA 3.45Å; R171-E175 IonicContact CZ-OE2 2.75Å; R171-E175 VanDerWaalsContact CZ-OE2 3.22Å; R171-E175 IonicContact NE-OE2 3.79Å; R171-E175 IonicContact NH1-OE2 2.81Å; R171-E175 IonicContact NH2-OE2 2.77Å; R171-E175 PolarHBondContact NH2-OE2 3.15Å
176Q91.2Very high92.2Very high111 Ų11171.2 Ų71.252%0.51936%0.364SS..EExtended strand (participates in β ladder)trans-124.2132.6177.2-64.5-66-37.600108.8L169 S170 T174L169-Q176 WeakPolarHBondContact CA-O 3.31Å; S170-Q176 PolarHBondContact N-O 3.36Å; S170-Q176 PolarHBondContact O-N 2.83Å; T174-Q176 PolarHBondContact OG1-NE2 3.24Å
177M93.2Very high92.2Very high115 Ų11571.4 Ų71.457%0.56737%0.366SS*.EExtended strand (participates in β ladder)trans-118.5122.8175.4-175.4-179.1178.800109.4R167 L168 L169 E179R167-M177 HydrophobicContact CG-CE 4.46Å; L168-M177 WeakPolarHBondContact O-CA 3.36Å; L169-M177 HydrophobicContact CD1-CB 4.09Å; M177-E179 HydrophobicContact CE-CG 4.16Å; M177-E179 WeakPolarHBondContact CE-OE1 3.5Å
178E95.9Very high92.3Very high77 Ų7771.7 Ų71.736%0.3637%0.374SS..EExtended strand (participates in β ladder)trans-119.8142.6176.3-58.2-179.392.500109.7L168 F180 R189L168-E178 HydrophobicContact CB-CB 4.43Å; L168-E178 PolarHBondContact N-O 3.31Å; L168-E178 PolarHBondContact O-N 3.3Å; E178-F180 HydrophobicContact CB-CD2 4.48Å; E178-F180 HydrophobicContact CB-CE2 3.54Å; E178-F180 HydrophobicContact CB-CZ 3.89Å; E178-R189 IonicContact OE2-NE 3.98Å; E178-R189 IonicContact OE2-NH2 3.47Å; E178-R189 PolarHBondContact OE2-NH2 3.02Å
179E96.6Very high92.4Very high129 Ų12973.8 Ų73.860%0.60338%0.382SS*.EExtended strand (participates in β ladder)trans-123.4135.8173.2-58.8-158.815000110.8L166 R167 M177L166-E179 CarbonylContact O-C 3.55Å; L166-E179 WeakPolarHBondContact O-CA 3.32Å; R167-E179 WeakPolarHBondContact CD-OE1 3.4Å; R167-E179 HydrophobicContact CG-CG 4.01Å; R167-E179 WeakPolarHBondContact CG-OE1 3.37Å; M177-E179 HydrophobicContact CE-CG 4.16Å; M177-E179 WeakPolarHBondContact CE-OE1 3.5Å
180F97.6Very high92.6Very high42 Ų4272 Ų7218%0.18437%0.373CS..EExtended strand (participates in β ladder)trans-128.2142.4177.3-53.4-92000109.2K165 L166 E178 V185 V186 R189K165-F180 CarbonylContact C-O 3.6Å; K165-F180 WeakPolarHBondContact CA-O 3.43Å; L166-F180 HydrophobicContact CB-CB 4.26Å; L166-F180 HydrophobicContact CB-CD2 4.45Å; L166-F180 HydrophobicContact CD2-CD2 3.86Å; L166-F180 HydrophobicContact CG-CD2 4.12Å; L166-F180 PolarHBondContact N-O 3.44Å; L166-F180 PolarHBondContact O-N 3.49Å; E178-F180 HydrophobicContact CB-CD2 4.48Å; E178-F180 HydrophobicContact CB-CE2 3.54Å; E178-F180 HydrophobicContact CB-CZ 3.89Å; F180-V185 HydrophobicContact CB-CG1 4.13Å; F180-V185 HydrophobicContact CD1-CG1 3.8Å; F180-V185 HydrophobicContact CG-CG1 4.42Å; F180-V186 HydrophobicContact CB-CG2 4.08Å; F180-R189 HydrophobicContact CD1-CB 4.42Å; F180-R189 HydrophobicContact CD1-CG 4.45Å; F180-R189 HydrophobicContact CD2-CG 4.03Å; F180-R189 HydrophobicContact CE1-CB 4.44Å; F180-R189 HydrophobicContact CE1-CG 4.11Å; F180-R189 HydrophobicContact CE2-CG 3.66Å; F180-R189 HydrophobicContact CG-CB 4.46Å; F180-R189 HydrophobicContact CG-CG 4.41Å; F180-R189 HydrophobicContact CZ-CG 3.71Å
181Q97.4Very high92.9Very high126 Ų12672.1 Ų72.159%0.58937%0.37SS*.EExtended strand (participates in β ladder)trans-132.9139.2178.8-176175.3-43.400110.2V164 K165V164-Q181 WeakPolarHBondContact O-CA 3.49Å; K165-Q181 HydrophobicContact CG-CG 4.21Å
182G97.3Very high93.5Very high13 Ų1368.5 Ų68.513%0.13436%0.364CS..SBendtrans103.6139.6-178.700000112.6P162 V164 E184 V185 V186P162-G182 WeakPolarHBondContact O-CA 3.21Å; V164-G182 PolarHBondContact O-N 3.11Å; G182-E184 VanDerWaalsContact C-N 3.31Å; G182-E184 PolarHBondContact O-N 2.7Å; G182-V185 PolarHBondContact O-N 3.28Å; G182-V186 WeakPolarHBondContact O-CB 3.33Å; G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.47Å; G182-V186 PolarHBondContact O-N 2.63Å
183A97.3Very high94.5Very high4 Ų466 Ų663%0.03334%0.342CS..Hα-helixtrans-57.9-41.3-174.400000113.1P157 F160 P162 V164 S187P157-A183 HydrophobicContact CB-CB 3.72Å; F160-A183 HydrophobicContact CB-CB 3.96Å; P162-A183 PolarHBondContact O-N 3.47Å; V164-A183 HydrophobicContact CG1-CB 4.27Å; A183-S187 WeakPolarHBondContact O-CB 3.44Å; A183-S187 PolarHBondContact O-N 2.75Å
184E97.9Very high95.6Very high117 Ų11759.4 Ų59.455%0.54730%0.302SS..Hα-helixtrans-65.6-51.3-179.2-64.473.3-161.700111.2P157 G182 S187 L188P157-E184 HydrophobicContact CB-CG 4.35Å; P157-E184 HydrophobicContact CG-CG 4.47Å; G182-E184 VanDerWaalsContact C-N 3.31Å; G182-E184 PolarHBondContact O-N 2.7Å; E184-S187 PolarHBondContact O-N 2.9Å; E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 VanDerWaalsContact O-CG 3.31Å; E184-L188 WeakPolarHBondContact O-CG 3.16Å; E184-L188 PolarHBondContact O-N 2.96Å
185V98.1Very high96.3Very high73 Ų7357.5 Ų57.544%0.44229%0.292SS..Hα-helixtrans-66.3-42.1-177-176.80000110.8F180 G182 L188 R189F180-V185 HydrophobicContact CB-CG1 4.13Å; F180-V185 HydrophobicContact CD1-CG1 3.8Å; F180-V185 HydrophobicContact CG-CG1 4.42Å; G182-V185 PolarHBondContact O-N 3.28Å; V185-L188 PolarHBondContact O-N 3.39Å; V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 PolarHBondContact O-N 3.43Å
186V98.4Very high96.6Very high0 Ų054.8 Ų54.80%029%0.293CS..Hα-helixtrans-64.6-45.4177.1169.70000111.3F160 V164 L166 F180 G182 L188 R189 L190 I259F160-V186 HydrophobicContact CD1-CG1 4.13Å; F160-V186 HydrophobicContact CE1-CG1 3.91Å; F160-V186 HydrophobicContact CZ-CG1 4.49Å; V164-V186 HydrophobicContact CG1-CB 3.91Å; V164-V186 HydrophobicContact CG1-CG1 4.24Å; V164-V186 HydrophobicContact CG1-CG2 3.87Å; V164-V186 HydrophobicContact CG2-CG1 4.34Å; L166-V186 HydrophobicContact CB-CB 4.45Å; L166-V186 HydrophobicContact CB-CG1 3.99Å; L166-V186 HydrophobicContact CB-CG2 3.77Å; L166-V186 HydrophobicContact CD2-CG1 4.47Å; F180-V186 HydrophobicContact CB-CG2 4.08Å; G182-V186 WeakPolarHBondContact O-CB 3.33Å; G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.47Å; G182-V186 PolarHBondContact O-N 2.63Å; V186-L188 PolarHBondContact O-N 3.46Å; V186-R189 PolarHBondContact O-N 3Å; V186-L190 HydrophobicContact CG1-CD1 4.08Å; V186-L190 WeakPolarHBondContact O-CG 3.2Å; V186-L190 PolarHBondContact O-N 3.42Å; V186-L190 VanDerWaalsContact O-N 3.07Å; V186-I259 HydrophobicContact CG1-CD1 4.33Å
187S98.1Very high96.8Very high5 Ų553 Ų534%0.03528%0.284CS..Hα-helixtrans-60.3-44.7177.6177.90000111.8W155 G156 A183 E184 L191W155-S187 PolarHBondContact NE1-O 2.6Å; W155-S187 VanDerWaalsContact NE1-O 3.08Å; W155-S187 PolarHBondContact NE1-OG 2.98Å; W155-S187 VanDerWaalsContact NE1-OG 3.08Å; G156-S187 WeakPolarHBondContact CA-OG 3.49Å; A183-S187 WeakPolarHBondContact O-CB 3.44Å; A183-S187 PolarHBondContact O-N 2.75Å; E184-S187 PolarHBondContact O-N 2.9Å; S187-L191 VanDerWaalsContact O-CB 3.3Å; S187-L191 WeakPolarHBondContact O-CB 3.36Å; S187-L191 PolarHBondContact O-N 2.99Å
188L98.1Very high96.9Very high113 Ų11353.1 Ų53.159%0.59228%0.279SS*.Hα-helixtrans-66.4-39.8177.7-73.2172.8000112.5E184 V185 V186 L191 A192E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 VanDerWaalsContact O-CG 3.31Å; E184-L188 WeakPolarHBondContact O-CG 3.16Å; E184-L188 PolarHBondContact O-N 2.96Å; V185-L188 PolarHBondContact O-N 3.39Å; V186-L188 PolarHBondContact O-N 3.46Å; L188-L191 PolarHBondContact O-N 3.5Å; L188-A192 WeakPolarHBondContact O-CB 3.49Å; L188-A192 PolarHBondContact O-N 3.48Å
189R98Very high96.9Very high49 Ų4950 Ų5019%0.18527%0.265CS..Hα-helixtrans-65.6-44.5178.8-177.364.7-173.5121.2-5.9111.8L166 E178 F180 V185 V186 L191 A192 L193 E197L166-R189 HydrophobicContact CD2-CB 4.22Å; L166-R189 HydrophobicContact CD2-CG 4.02Å; E178-R189 IonicContact OE2-NE 3.98Å; E178-R189 IonicContact OE2-NH2 3.47Å; E178-R189 PolarHBondContact OE2-NH2 3.02Å; F180-R189 HydrophobicContact CD1-CB 4.42Å; F180-R189 HydrophobicContact CD1-CG 4.45Å; F180-R189 HydrophobicContact CD2-CG 4.03Å; F180-R189 HydrophobicContact CE1-CB 4.44Å; F180-R189 HydrophobicContact CE1-CG 4.11Å; F180-R189 HydrophobicContact CE2-CG 3.66Å; F180-R189 HydrophobicContact CG-CB 4.46Å; F180-R189 HydrophobicContact CG-CG 4.41Å; F180-R189 HydrophobicContact CZ-CG 3.71Å; V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 PolarHBondContact O-N 3.43Å; V186-R189 PolarHBondContact O-N 3Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-A192 WeakPolarHBondContact O-CB 3.44Å; R189-A192 PolarHBondContact O-N 3Å; R189-L193 PolarHBondContact O-N 3.42Å; R189-E197 IonicContact CZ-OE1 3.5Å; R189-E197 IonicContact NH1-OE1 2.74Å; R189-E197 PolarHBondContact NH1-OE1 2.77Å; R189-E197 IonicContact NH2-OE1 3.33Å; R189-E197 PolarHBondContact NH2-OE1 2.82Å
190L98Very high96.9Very high1 Ų145 Ų451%0.00524%0.243CC..Hα-helixtrans-62.6-42.6175.3-71.9170.6000111.4F137 L141 W155 F160 L166 V186 A192 L193 I259F137-L190 HydrophobicContact CZ-CD1 4.18Å; L141-L190 HydrophobicContact CD1-CB 4.18Å; W155-L190 HydrophobicContact CH2-CB 4.42Å; W155-L190 HydrophobicContact CH2-CD1 4.08Å; W155-L190 HydrophobicContact CZ2-CB 3.75Å; W155-L190 HydrophobicContact CZ2-CD1 3.92Å; F160-L190 HydrophobicContact CE1-CD1 3.91Å; F160-L190 HydrophobicContact CZ-CD1 3.82Å; L166-L190 HydrophobicContact CD2-CD2 4.38Å; L166-L190 HydrophobicContact CD2-CG 4.35Å; V186-L190 HydrophobicContact CG1-CD1 4.08Å; V186-L190 WeakPolarHBondContact O-CG 3.2Å; V186-L190 PolarHBondContact O-N 3.42Å; V186-L190 VanDerWaalsContact O-N 3.07Å; L190-A192 VanDerWaalsContact C-N 3.29Å; L190-A192 PolarHBondContact O-N 3.42Å; L190-L193 HydrophobicContact CD2-CD1 4.24Å; L190-L193 WeakPolarHBondContact O-CB 3.26Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-I259 HydrophobicContact CD1-CD1 3.67Å
191L97.1Very high96.9Very high41 Ų4143.2 Ų43.222%0.21524%0.235CC..Hα-helixtrans-58.1-42.4174.2-179.662.9000111.3Q144 S187 L188 R189 L193 T194 S195Q144-L191 HydrophobicContact CB-CD1 3.5Å; Q144-L191 VanDerWaalsContact CB-CD1 3.5Å; Q144-L191 HydrophobicContact CG-CD1 3.54Å; S187-L191 VanDerWaalsContact O-CB 3.3Å; S187-L191 WeakPolarHBondContact O-CB 3.36Å; S187-L191 PolarHBondContact O-N 2.99Å; L188-L191 PolarHBondContact O-N 3.5Å; R189-L191 VanDerWaalsContact C-N 3.34Å; L191-L193 VanDerWaalsContact C-N 3.25Å; L191-L193 PolarHBondContact O-N 3.42Å; L191-T194 PolarHBondContact O-N 3.44Å; L191-T194 VanDerWaalsContact O-N 3.13Å; L191-T194 PolarHBondContact O-OG1 3.43Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.81Å
192A97.6Very high96.8Very high34 Ų3440 Ų4028%0.28123%0.227SC..Iπ-helixtrans-62.1-30.7179.100000113.1L188 R189 L190 T194 G196 E197L188-A192 WeakPolarHBondContact O-CB 3.49Å; L188-A192 PolarHBondContact O-N 3.48Å; R189-A192 WeakPolarHBondContact O-CB 3.44Å; R189-A192 PolarHBondContact O-N 3Å; L190-A192 VanDerWaalsContact C-N 3.29Å; L190-A192 PolarHBondContact O-N 3.42Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 3.29Å; A192-G196 CarbonylContact O-C 3.57Å; A192-G196 WeakPolarHBondContact O-CA 3.17Å; A192-G196 PolarHBondContact O-N 3.05Å; A192-E197 PolarHBondContact O-N 3.08Å
193L96.5Very high96.8Very high3 Ų340.8 Ų40.82%0.01623%0.229CC..Iπ-helixtrans-62.4-41174.8-63.2172.9000111.3R189 L190 L191 E197 R198 L199 F201 L261R189-L193 PolarHBondContact O-N 3.42Å; L190-L193 HydrophobicContact CD2-CD1 4.24Å; L190-L193 WeakPolarHBondContact O-CB 3.26Å; L190-L193 PolarHBondContact O-N 3.33Å; L191-L193 VanDerWaalsContact C-N 3.25Å; L191-L193 PolarHBondContact O-N 3.42Å; L193-E197 WeakPolarHBondContact O-CB 3.29Å; L193-R198 PolarHBondContact O-N 3.5Å; L193-L199 HydrophobicContact CB-CD1 4.42Å; L193-L199 HydrophobicContact CD2-CD1 4.34Å; L193-L199 VanDerWaalsContact O-CB 3.25Å; L193-L199 WeakPolarHBondContact O-CB 3.41Å; L193-L199 WeakPolarHBondContact O-CG 3.16Å; L193-L199 PolarHBondContact O-N 3.27Å; L193-F201 HydrophobicContact CB-CE2 4.27Å; L193-F201 HydrophobicContact CB-CZ 4.45Å; L193-F201 HydrophobicContact CD1-CZ 4.18Å; L193-L261 HydrophobicContact CD1-CD2 3.83Å
194T95.7Very high96.6Very high0 Ų041.5 Ų41.50%023%0.233CC..Iπ-helixtrans-92.7-41.3-176.556.30000113.8L141 N145 L191 A192 R198 L199 F201L141-T194 HydrophobicContact CD1-CG2 4.06Å; L141-T194 HydrophobicContact CD2-CG2 4.28Å; L141-T194 HydrophobicContact CG-CG2 3.69Å; L141-T194 WeakPolarHBondContact O-CB 3.35Å; L141-T194 PolarHBondContact O-OG1 2.87Å; N145-T194 WeakPolarHBondContact CA-O 3.48Å; N145-T194 WeakPolarHBondContact CB-O 3.36Å; N145-T194 PolarHBondContact ND2-O 3.29Å; L191-T194 PolarHBondContact O-N 3.44Å; L191-T194 VanDerWaalsContact O-N 3.13Å; L191-T194 PolarHBondContact O-OG1 3.43Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 3.29Å; T194-R198 VanDerWaalsContact O-CA 3.3Å; T194-R198 WeakPolarHBondContact O-CA 3.42Å; T194-L199 WeakPolarHBondContact CA-O 3.44Å; T194-L199 WeakPolarHBondContact CG2-O 3.38Å; T194-F201 HydrophobicContact CG2-CD2 4Å; T194-F201 HydrophobicContact CG2-CE2 3.96Å
195S94.6Very high96.1Very high48 Ų4838.4 Ų38.434%0.33622%0.22SC..Iπ-helixtrans-84.6-41.7-178.272.30000112.9Q144 L191Q144-S195 WeakPolarHBondContact O-CB 3.48Å; L191-S195 PolarHBondContact O-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.81Å
196G94.1Very high95.5Very high50 Ų5040 Ų4052%0.51523%0.226SC..Iπ-helixtrans-85.2-54.5-177.800000112.8A192 R198A192-G196 CarbonylContact O-C 3.57Å; A192-G196 WeakPolarHBondContact O-CA 3.17Å; A192-G196 PolarHBondContact O-N 3.05Å; G196-R198 VanDerWaalsContact C-N 3.28Å; G196-R198 PolarHBondContact O-N 3.26Å
197E94.8Very high94.5Very high72 Ų7244.9 Ų44.934%0.33626%0.257SS..SBendtrans-84.2-4.9-176.8-59.6172.8-14500113.2R189 A192 L193 L199 R230R189-E197 IonicContact CZ-OE1 3.5Å; R189-E197 IonicContact NH1-OE1 2.74Å; R189-E197 PolarHBondContact NH1-OE1 2.77Å; R189-E197 IonicContact NH2-OE1 3.33Å; R189-E197 PolarHBondContact NH2-OE1 2.82Å; A192-E197 PolarHBondContact O-N 3.08Å; L193-E197 WeakPolarHBondContact O-CB 3.29Å; E197-L199 HydrophobicContact CB-CD1 4.46Å; E197-L199 HydrophobicContact CB-CG 4.07Å; E197-L199 PolarHBondContact O-N 2.96Å; E197-R230 PolarHBondContact O-NE 3.28Å; E197-R230 PolarHBondContact O-NH2 2.93Å
198R95.6Very high93.6Very high118 Ų11851.3 Ų51.345%0.44529%0.287SS..  trans55.434.8178.7-61.3-170.1-67-86.82.4113.7N145 L193 T194 G196 R230N145-R198 PolarHBondContact ND2-O 2.94Å; N145-R198 VanDerWaalsContact ND2-O 3.14Å; L193-R198 PolarHBondContact O-N 3.5Å; T194-R198 VanDerWaalsContact O-CA 3.3Å; T194-R198 WeakPolarHBondContact O-CA 3.42Å; G196-R198 VanDerWaalsContact C-N 3.28Å; G196-R198 PolarHBondContact O-N 3.26Å; R198-R230 HydrophobicContact CB-CG 4.5Å
199L96.1Very high93Very high12 Ų1246 Ų466%0.06326%0.258CS..  trans-79.1143.4174.6-54.9-177.2000110.5N145 L193 T194 E197 F201 I228 H229 L235N145-L199 PolarHBondContact ND2-O 3.47Å; L193-L199 HydrophobicContact CB-CD1 4.42Å; L193-L199 HydrophobicContact CD2-CD1 4.34Å; L193-L199 VanDerWaalsContact O-CB 3.25Å; L193-L199 WeakPolarHBondContact O-CB 3.41Å; L193-L199 WeakPolarHBondContact O-CG 3.16Å; L193-L199 PolarHBondContact O-N 3.27Å; T194-L199 WeakPolarHBondContact CA-O 3.44Å; T194-L199 WeakPolarHBondContact CG2-O 3.38Å; E197-L199 HydrophobicContact CB-CD1 4.46Å; E197-L199 HydrophobicContact CB-CG 4.07Å; E197-L199 PolarHBondContact O-N 2.96Å; L199-F201 HydrophobicContact CB-CE2 4.1Å; L199-I228 HydrophobicContact CB-CG2 4.03Å; L199-I228 HydrophobicContact CD1-CG2 4.26Å; L199-I228 HydrophobicContact CD2-CG2 3.83Å; L199-I228 HydrophobicContact CG-CG2 4.25Å; L199-H229 CarbonylContact C-O 3.51Å; L199-L235 HydrophobicContact CD2-CD1 3.77Å
200V97Very high92.7Very high25 Ų2543.8 Ų43.815%0.15225%0.25CS..EExtended strand (participates in β ladder)trans-120.5123.3171.1-178.70000107.6N145 L148 I228 H229N145-V200 VanDerWaalsContact ND2-CG2 3.25Å; N145-V200 WeakPolarHBondContact ND2-CG2 3.5Å; L148-V200 HydrophobicContact CD1-CG2 4.4Å; L148-V200 HydrophobicContact CD2-CG2 4.24Å; L148-V200 HydrophobicContact CG-CG2 4.39Å; V200-I228 WeakPolarHBondContact O-CA 3.29Å; V200-H229 HydrophobicContact CB-CB 4.38Å; V200-H229 PolarHBondContact N-O 2.8Å; V200-H229 PolarHBondContact O-N 2.94Å
201F97.3Very high92.3Very high3 Ų347.5 Ų47.51%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-94.1123.2-179.9-68.9-97.2000110.1F138 L141 N142 L193 T194 L199 P203 I228 F238 L261F138-F201 HydrophobicContact CD1-CB 3.49Å; F138-F201 VanDerWaalsContact CD1-CB 3.49Å; F138-F201 HydrophobicContact CD1-CG 4.15Å; F138-F201 HydrophobicContact CE1-CB 3.8Å; F138-F201 HydrophobicContact CE1-CD1 4.18Å; F138-F201 HydrophobicContact CE1-CG 4.11Å; F138-F201 HydrophobicContact CG-CB 4.48Å; L141-F201 HydrophobicContact CD2-CD2 4.33Å; N142-F201 PolarHBondContact ND2-O 3.28Å; N142-F201 PolarHBondContact OD1-N 3.17Å; L193-F201 HydrophobicContact CB-CE2 4.27Å; L193-F201 HydrophobicContact CB-CZ 4.45Å; L193-F201 HydrophobicContact CD1-CZ 4.18Å; T194-F201 HydrophobicContact CG2-CD2 4Å; T194-F201 HydrophobicContact CG2-CE2 3.96Å; L199-F201 HydrophobicContact CB-CE2 4.1Å; F201-P203 WeakPolarHBondContact O-CD 3.45Å; F201-I228 HydrophobicContact CD1-CD1 4.38Å; F201-I228 HydrophobicContact CD1-CG1 3.91Å; F201-I228 HydrophobicContact CE1-CD1 3.83Å; F201-I228 HydrophobicContact CE1-CG1 3.83Å; F201-I228 HydrophobicContact CZ-CD1 4.41Å; F201-F238 HydrophobicContact CB-CE1 4.14Å; F201-F238 HydrophobicContact CB-CZ 4.3Å; F201-F238 AromaticContact CD1-CD1 3.78Å; F201-F238 HydrophobicContact CD1-CD1 3.78Å; F201-F238 HydrophobicContact CD1-CD2 4.23Å; F201-F238 AromaticContact CD1-CE1 3.77Å; F201-F238 HydrophobicContact CD1-CE1 3.77Å; F201-F238 HydrophobicContact CD1-CE2 4.25Å; F201-F238 AromaticContact CD1-CG 3.99Å; F201-F238 HydrophobicContact CD1-CG 3.99Å; F201-F238 HydrophobicContact CD1-CZ 4.01Å; F201-F238 HydrophobicContact CE1-CD1 4.42Å; F201-F238 HydrophobicContact CE1-CG 4.29Å; F201-F238 HydrophobicContact CG-CE1 4.46Å; F201-L261 HydrophobicContact CE1-CD1 4.45Å; F201-L261 HydrophobicContact CE1-CD2 4.49Å
202S95.9Very high92Very high59 Ų5946.4 Ų46.441%0.41326%0.261SS..EExtended strand (participates in β ladder)trans-110.295.4173.8-174.10000109.2G226 T227S202-G226 CarbonylContact O-C 3.57Å; S202-G226 WeakPolarHBondContact O-CA 3.15Å; S202-T227 WeakPolarHBondContact CB-OG1 3.43Å; S202-T227 PolarHBondContact N-O 3.49Å; S202-T227 PolarHBondContact O-N 3.41Å
203P96.3Very high91.6Very high30 Ų3045.5 Ų45.520%0.19525%0.252CS..EExtended strand (participates in β ladder)trans-71.5139.2-178.931.1-36.4000111.2F138 F201 L205 V224 F238F138-P203 HydrophobicContact CB-CG 4.07Å; F138-P203 HydrophobicContact CD2-CB 3.62Å; F138-P203 HydrophobicContact CD2-CG 3.56Å; F138-P203 HydrophobicContact CE2-CB 3.78Å; F138-P203 HydrophobicContact CE2-CG 4.24Å; F138-P203 HydrophobicContact CG-CB 4.3Å; F138-P203 HydrophobicContact CG-CG 3.93Å; F201-P203 WeakPolarHBondContact O-CD 3.45Å; P203-L205 HydrophobicContact CB-CD2 4.04Å; P203-L205 HydrophobicContact CG-CD2 4.25Å; P203-L205 HydrophobicContact CG-CG 4.49Å; P203-L205 PolarHBondContact O-N 3.03Å; P203-V224 HydrophobicContact CB-CG2 3.75Å; P203-F238 HydrophobicContact CB-CZ 4.37Å
204N92.6Very high91.2Very high19 Ų1947.5 Ų47.510%0.10227%0.269CS..  trans-86103.9169.9-177.11.9000109D206 G209 L210 A225 P277N204-D206 VanDerWaalsContact C-N 3.33Å; N204-D206 VanDerWaalsContact OD1-CB 3.23Å; N204-D206 WeakPolarHBondContact OD1-CB 3.23Å; N204-D206 PolarHBondContact OD1-N 3.23Å; N204-D206 VanDerWaalsContact OD1-N 3.12Å; N204-D206 PolarHBondContact OD1-OD2 3.25Å; N204-G209 CarbonylContact O-C 3.05Å; N204-G209 VanDerWaalsContact O-CA 3.27Å; N204-G209 WeakPolarHBondContact O-CA 3.2Å; N204-L210 PolarHBondContact O-N 3.19Å; N204-A225 WeakPolarHBondContact CB-O 3.48Å; N204-A225 PolarHBondContact N-O 2.78Å; N204-P277 HydrophobicContact CB-CG 4.23Å; N204-P277 PolarHBondContact ND2-O 3.25Å
205L89.1Confident90.4Very high52 Ų5248.3 Ų48.327%0.27228%0.275SS..  trans-90.21.5-179.1-55.6-176.7000113.3C134 Q135 P203 L210C134-L205 HydrophobicContact CB-CD2 3.61Å; Q135-L205 HydrophobicContact CB-CD1 4.43Å; P203-L205 HydrophobicContact CB-CD2 4.04Å; P203-L205 HydrophobicContact CG-CD2 4.25Å; P203-L205 HydrophobicContact CG-CG 4.49Å; P203-L205 PolarHBondContact O-N 3.03Å; L205-L210 HydrophobicContact CD2-CD1 3.64Å
206D85.4Confident89.3Confident106 Ų10652.1 Ų52.157%0.56730%0.298SS*.SBendtrans-67.5161.5174.4-63.7-28.7000110.8N204 H208 G209 L210N204-D206 VanDerWaalsContact C-N 3.33Å; N204-D206 VanDerWaalsContact OD1-CB 3.23Å; N204-D206 WeakPolarHBondContact OD1-CB 3.23Å; N204-D206 PolarHBondContact OD1-N 3.23Å; N204-D206 VanDerWaalsContact OD1-N 3.12Å; N204-D206 PolarHBondContact OD1-OD2 3.25Å; D206-H208 PolarHBondContact O-N 2.79Å; D206-G209 PolarHBondContact O-N 2.97Å; D206-L210 PolarHBondContact O-N 3.15Å; D206-L210 VanDerWaalsContact O-N 3.14Å
207P77.3Confident88.4Confident103 Ų10357.9 Ų57.967%0.66931%0.312SS*.THydrogen-bonded Turntrans-55-20.9-176.2-28.836.3000116
208H79.1Confident87.8Confident140 Ų14056.3 Ų56.365%0.64832%0.315SS*.THydrogen-bonded Turntrans-92.5-21.8177.2-62.3-60.3000113.8D206 L279D206-H208 PolarHBondContact O-N 2.79Å; H208-L279 PolarHBondContact O-N 3.48Å
209G84.3Confident87.5Confident0 Ų052 Ų520%030%0.3CS..THydrogen-bonded Turntrans-92.8-21.9-178.300000113.7N204 D206 V224 A225 L279N204-G209 CarbonylContact O-C 3.05Å; N204-G209 VanDerWaalsContact O-CA 3.27Å; N204-G209 WeakPolarHBondContact O-CA 3.2Å; D206-G209 PolarHBondContact O-N 2.97Å; G209-V224 CarbonylContact O-C 3.55Å; G209-V224 VanDerWaalsContact O-CA 3.3Å; G209-V224 WeakPolarHBondContact O-CA 3.19Å; G209-A225 PolarHBondContact O-N 3.04Å; G209-L279 WeakPolarHBondContact O-CD1 3.41Å
210L91.7Very high87.3Confident3 Ų351.5 Ų51.52%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-129.3136.4-178.1-172.5148.7000111.7L127 Q131 C134 N204 L205 D206 G223L127-L210 HydrophobicContact CD1-CD2 3.42Å; L127-L210 VanDerWaalsContact CD1-CD2 3.42Å; Q131-L210 HydrophobicContact CG-CD1 4.2Å; Q131-L210 HydrophobicContact CG-CD2 4.13Å; C134-L210 HydrophobicContact CB-CD1 3.97Å; N204-L210 PolarHBondContact O-N 3.19Å; L205-L210 HydrophobicContact CD2-CD1 3.64Å; D206-L210 PolarHBondContact O-N 3.15Å; D206-L210 VanDerWaalsContact O-N 3.14Å; L210-G223 WeakPolarHBondContact CA-O 3.46Å
211R90.5Very high87.2Confident79 Ų7950.3 Ų50.330%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-136.4144.8170.8-67.3-177.9-175.9-111.9-0.3109.7G223 L279 Y281 S283 L286R211-G223 PolarHBondContact N-O 2.87Å; R211-G223 PolarHBondContact O-N 3.38Å; R211-G223 VanDerWaalsContact O-O 3.13Å; R211-L279 HydrophobicContact CB-CD1 4.05Å; R211-L279 HydrophobicContact CG-CD1 3.97Å; R211-Y281 WeakPolarHBondContact CD-O 3.31Å; R211-Y281 PolarHBondContact NE-O 3.33Å; R211-S283 PolarHBondContact NH1-OG 3.01Å; R211-L286 HydrophobicContact CB-CD1 3.7Å
212A90.6Very high87.2Confident18 Ų1850.1 Ų50.115%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-139.8141.4172.700000111.5P126 L221 V222P126-A212 VanDerWaalsContact C-CB 3.45Å; P126-A212 HydrophobicContact CB-CB 3.98Å; P126-A212 WeakPolarHBondContact O-CB 3.37Å; A212-L221 CarbonylContact C-O 3.53Å; A212-L221 WeakPolarHBondContact CA-O 3.26Å; A212-V222 HydrophobicContact CB-CG2 4.31Å
213V89.5Confident87.2Confident16 Ų1647.3 Ų47.310%0.09727%0.27CS..EExtended strand (participates in β ladder)trans-137.5138.8177.7-64.50000109.5V220 L221 L286 Q287V213-V220 WeakPolarHBondContact O-CA 3.34Å; V213-L221 HydrophobicContact CG2-CB 3.86Å; V213-L221 HydrophobicContact CG2-CD1 4.23Å; V213-L221 HydrophobicContact CG2-CG 4.39Å; V213-L221 PolarHBondContact N-O 3.25Å; V213-L221 PolarHBondContact O-N 3.36Å; V213-L286 HydrophobicContact CG2-CB 3.9Å; V213-Q287 HydrophobicContact CB-CG 4.34Å; V213-Q287 HydrophobicContact CG1-CG 4.41Å; V213-Q287 HydrophobicContact CG2-CG 4.22Å
214A86.9Confident87.2Confident45 Ų4545.9 Ų45.937%0.37226%0.261SS..EExtended strand (participates in β ladder)trans-102.5134.7174.200000110.3F124 P126 V220F124-A214 HydrophobicContact CE1-CB 3.95Å; P126-A214 HydrophobicContact CB-CB 4.39Å; P126-A214 HydrophobicContact CG-CB 3.76Å; A214-V220 HydrophobicContact CB-CG2 4.04Å
215S79.4Confident87.3Confident16 Ų1645 Ų4511%0.11226%0.256CS..  trans-84.9154.4169.581.60000110.8H217 G218 L219S215-H217 PolarHBondContact O-N 2.93Å; S215-H217 VanDerWaalsContact O-N 3.11Å; S215-H217 PolarHBondContact OG-N 2.86Å; S215-G218 PolarHBondContact O-N 3.16Å; S215-L219 WeakPolarHBondContact CB-O 3.34Å; S215-L219 PolarHBondContact N-O 3.25Å; S215-L219 WeakPolarHBondContact OG-CB 3.16Å; S215-L219 PolarHBondContact OG-N 3.04Å; S215-L219 PolarHBondContact OG-O 3.02Å; S215-L219 VanDerWaalsContact OG-O 3.05Å
216P71.1Confident87.6Confident128 Ų12842.6 Ų42.683%0.83124%0.243SC*.THydrogen-bonded Turntrans-60-19172.3-23.134.2000114.2G218P216-G218 VanDerWaalsContact C-N 3.34Å
217H75.6Confident88.1Confident172 Ų17238.9 Ų38.980%0.79623%0.225SC*.THydrogen-bonded Turntrans-92.69.4-176.3-56.5-59.6000113.4S215S215-H217 PolarHBondContact O-N 2.93Å; S215-H217 VanDerWaalsContact O-N 3.11Å; S215-H217 PolarHBondContact OG-N 2.86Å
218G81.9Confident88.9Confident39 Ų3934.2 Ų34.240%0.40219%0.194SC..SBendtrans86.2117500000115.3S215 P216S215-G218 PolarHBondContact O-N 3.16Å; P216-G218 VanDerWaalsContact C-N 3.34Å
219L89.6Confident89.6Confident26 Ų2630 Ų3014%0.13617%0.174CC..EExtended strand (participates in β ladder)trans-78.7133.1166176.769.1000109.9S215 L221 I245 F258S215-L219 WeakPolarHBondContact CB-O 3.34Å; S215-L219 PolarHBondContact N-O 3.25Å; S215-L219 WeakPolarHBondContact OG-CB 3.16Å; S215-L219 PolarHBondContact OG-N 3.04Å; S215-L219 PolarHBondContact OG-O 3.02Å; S215-L219 VanDerWaalsContact OG-O 3.05Å; L219-L221 HydrophobicContact CD1-CD2 4.41Å; L219-L221 HydrophobicContact CD2-CD2 4.01Å; L219-L221 HydrophobicContact CG-CD2 4.13Å; L219-I245 HydrophobicContact CD1-CD1 4.29Å; L219-I245 HydrophobicContact CD1-CG1 3.76Å; L219-F258 HydrophobicContact CD1-CE1 4.27Å; L219-F258 HydrophobicContact CD2-CE1 4.28Å
220V92.9Very high90.1Very high2 Ų234.1 Ų34.11%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-116.1127.3171.5179.60000108.8F124 P126 L129 V213 A214 V222 L244 W254F124-V220 HydrophobicContact CE1-CG2 3.96Å; F124-V220 HydrophobicContact CZ-CG2 3.72Å; P126-V220 HydrophobicContact CB-CG1 4.46Å; L129-V220 HydrophobicContact CD2-CB 4.17Å; L129-V220 HydrophobicContact CD2-CG1 3.65Å; L129-V220 HydrophobicContact CD2-CG2 4.39Å; V213-V220 WeakPolarHBondContact O-CA 3.34Å; A214-V220 HydrophobicContact CB-CG2 4.04Å; V220-V222 HydrophobicContact CG1-CG2 4.32Å; V220-L244 HydrophobicContact CB-CB 4.38Å; V220-L244 PolarHBondContact N-O 2.75Å; V220-L244 PolarHBondContact O-N 2.97Å; V220-W254 HydrophobicContact CB-CH2 4.37Å; V220-W254 HydrophobicContact CB-CZ3 3.95Å; V220-W254 HydrophobicContact CG2-CE3 4.38Å; V220-W254 HydrophobicContact CG2-CH2 3.38Å; V220-W254 HydrophobicContact CG2-CZ2 4.39Å; V220-W254 HydrophobicContact CG2-CZ3 3.37Å
221L94.8Very high89.9Confident0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-97.1133173.8-59.7-177.1000110A212 V213 L219 F242 F258 L286 L289 C290A212-L221 CarbonylContact C-O 3.53Å; A212-L221 WeakPolarHBondContact CA-O 3.26Å; V213-L221 HydrophobicContact CG2-CB 3.86Å; V213-L221 HydrophobicContact CG2-CD1 4.23Å; V213-L221 HydrophobicContact CG2-CG 4.39Å; V213-L221 PolarHBondContact N-O 3.25Å; V213-L221 PolarHBondContact O-N 3.36Å; L219-L221 HydrophobicContact CD1-CD2 4.41Å; L219-L221 HydrophobicContact CD2-CD2 4.01Å; L219-L221 HydrophobicContact CG-CD2 4.13Å; L221-F242 VanDerWaalsContact CA-O 3.31Å; L221-F242 WeakPolarHBondContact CA-O 3.48Å; L221-F258 HydrophobicContact CD2-CE1 4.11Å; L221-F258 HydrophobicContact CD2-CE2 4.21Å; L221-F258 HydrophobicContact CD2-CZ 3.4Å; L221-L286 HydrophobicContact CD1-CB 4.47Å; L221-L286 WeakPolarHBondContact CD1-O 3.44Å; L221-L289 HydrophobicContact CD1-CB 3.78Å; L221-C290 WeakPolarHBondContact CD1-SG 3.33Å
222V96Very high89.7Confident0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-122.7113.3173.2-176.50000107.5F133 A212 V220 I241 F242 L244F133-V222 HydrophobicContact CD1-CG1 4.35Å; A212-V222 HydrophobicContact CB-CG2 4.31Å; V220-V222 HydrophobicContact CG1-CG2 4.32Å; V222-I241 CarbonylContact O-C 3.57Å; V222-I241 WeakPolarHBondContact O-CA 3.26Å; V222-F242 HydrophobicContact CB-CB 4.4Å; V222-F242 PolarHBondContact N-O 3.25Å; V222-F242 PolarHBondContact O-N 3.09Å; V222-L244 HydrophobicContact CG2-CD1 3.66Å; V222-L244 HydrophobicContact CG2-CG 4.37Å
223G95.9Very high89.7Confident0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-97.6137.2168.900000109.5L210 R211 Q240 L279L210-G223 WeakPolarHBondContact CA-O 3.46Å; R211-G223 PolarHBondContact N-O 2.87Å; R211-G223 PolarHBondContact O-N 3.38Å; R211-G223 VanDerWaalsContact O-O 3.13Å; G223-Q240 CarbonylContact C-O 3.51Å; G223-Q240 WeakPolarHBondContact CA-O 3.41Å; G223-L279 VanDerWaalsContact O-CD1 3.31Å; G223-L279 WeakPolarHBondContact O-CD1 3.41Å
224V97.1Very high89.8Confident0 Ų050.6 Ų50.60%027%0.271CS..EExtended strand (participates in β ladder)trans-143.7134.1175.360.60000110.5F138 P203 G209 F238 E239 Q240 F242F138-V224 HydrophobicContact CE2-CG1 3.79Å; F138-V224 HydrophobicContact CE2-CG2 4.41Å; F138-V224 HydrophobicContact CZ-CG1 3.94Å; P203-V224 HydrophobicContact CB-CG2 3.75Å; G209-V224 CarbonylContact O-C 3.55Å; G209-V224 VanDerWaalsContact O-CA 3.3Å; G209-V224 WeakPolarHBondContact O-CA 3.19Å; V224-F238 HydrophobicContact CG1-CE2 4.38Å; V224-E239 CarbonylContact O-C 3.55Å; V224-E239 WeakPolarHBondContact O-CA 3.27Å; V224-Q240 HydrophobicContact CG1-CB 4.08Å; V224-Q240 PolarHBondContact N-O 3.27Å; V224-Q240 PolarHBondContact O-N 3Å; V224-F242 HydrophobicContact CG1-CE2 3.89Å
225A95.1Very high90Very high1 Ų151.1 Ų51.11%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-104.1158.8169.200000109.9N204 G209 F238 E239 P277 L279N204-A225 WeakPolarHBondContact CB-O 3.48Å; N204-A225 PolarHBondContact N-O 2.78Å; G209-A225 PolarHBondContact O-N 3.04Å; A225-F238 CarbonylContact C-O 3.57Å; A225-F238 VanDerWaalsContact CA-O 3.25Å; A225-F238 WeakPolarHBondContact CA-O 3.46Å; A225-E239 HydrophobicContact CB-CG 4.19Å; A225-P277 HydrophobicContact CB-CB 4.27Å; A225-L279 HydrophobicContact CB-CG 4.14Å
226G95.3Very high90.6Very high0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-173.6-172.7177.400000113S202 I237 F238S202-G226 CarbonylContact O-C 3.57Å; S202-G226 WeakPolarHBondContact O-CA 3.15Å; G226-I237 CarbonylContact O-C 3.55Å; G226-I237 VanDerWaalsContact O-CA 3.24Å; G226-I237 WeakPolarHBondContact O-CA 3.36Å; G226-I237 WeakPolarHBondContact O-CB 3.32Å; G226-F238 VanDerWaalsContact C-CE1 3.44Å; G226-F238 PolarHBondContact N-O 2.83Å; G226-F238 WeakPolarHBondContact O-CD1 3.24Å; G226-F238 PolarHBondContact O-N 3.15Å
227T95Very high91.7Very high28 Ų2846 Ų4617%0.17223%0.233CC..EExtended strand (participates in β ladder)trans-106.7149.417548.80000110.9S202 H229 G236 I237 P277S202-T227 WeakPolarHBondContact CB-OG1 3.43Å; S202-T227 PolarHBondContact N-O 3.49Å; S202-T227 PolarHBondContact O-N 3.41Å; T227-H229 WeakPolarHBondContact CB-NE2 3.48Å; T227-H229 PolarHBondContact OG1-NE2 3.21Å; T227-G236 WeakPolarHBondContact CA-O 3.5Å; T227-I237 HydrophobicContact CG2-CG2 4.37Å; T227-P277 HydrophobicContact CG2-CG 4.06Å
228I95.2Very high92.6Very high5 Ų537.9 Ų37.93%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-107.3132.1171-68.5165.7000108L199 V200 F201 L235 G236 F238 I263L199-I228 HydrophobicContact CB-CG2 4.03Å; L199-I228 HydrophobicContact CD1-CG2 4.26Å; L199-I228 HydrophobicContact CD2-CG2 3.83Å; L199-I228 HydrophobicContact CG-CG2 4.25Å; V200-I228 WeakPolarHBondContact O-CA 3.29Å; F201-I228 HydrophobicContact CD1-CD1 4.38Å; F201-I228 HydrophobicContact CD1-CG1 3.91Å; F201-I228 HydrophobicContact CE1-CD1 3.83Å; F201-I228 HydrophobicContact CE1-CG1 3.83Å; F201-I228 HydrophobicContact CZ-CD1 4.41Å; I228-L235 HydrophobicContact CG2-CB 4.42Å; I228-L235 PolarHBondContact O-N 3.46Å; I228-G236 PolarHBondContact N-O 2.94Å; I228-F238 HydrophobicContact CD1-CB 3.8Å; I228-F238 HydrophobicContact CD1-CD1 4.4Å; I228-F238 HydrophobicContact CD1-CG 4.45Å; I228-F238 HydrophobicContact CG1-CB 4.17Å; I228-F238 HydrophobicContact CG1-CD1 3.82Å; I228-F238 HydrophobicContact CG1-CG 4.35Å; I228-I263 HydrophobicContact CD1-CB 4.19Å; I228-I263 HydrophobicContact CD1-CD1 3.84Å; I228-I263 HydrophobicContact CD1-CG1 3.73Å; I228-I263 HydrophobicContact CD1-CG2 3.59Å
229H94.1Very high93.2Very high51 Ų5136.3 Ų36.324%0.23618%0.177CC..EExtended strand (participates in β ladder)trans-121.3154.9178.1-62.2-99.3000110.9L199 V200 T227 F233 C234L199-H229 CarbonylContact C-O 3.51Å; V200-H229 HydrophobicContact CB-CB 4.38Å; V200-H229 PolarHBondContact N-O 2.8Å; V200-H229 PolarHBondContact O-N 2.94Å; T227-H229 WeakPolarHBondContact CB-NE2 3.48Å; T227-H229 PolarHBondContact OG1-NE2 3.21Å; H229-F233 CarbonylContact C-O 3.56Å; H229-F233 VanDerWaalsContact CA-O 3.22Å; H229-F233 WeakPolarHBondContact CA-O 3.44Å; H229-C234 WeakPolarHBondContact ND1-CA 3.28Å
230R94Very high93.6Very high88 Ų8835.1 Ų35.133%0.33217%0.171SC..EExtended strand (participates in β ladder)trans-133.6120.8161.8-179.4-176.1-66.8141.5-1.3107.1E197 R198 Q232 F233 L235E197-R230 PolarHBondContact O-NE 3.28Å; E197-R230 PolarHBondContact O-NH2 2.93Å; R198-R230 HydrophobicContact CB-CG 4.5Å; R230-Q232 PolarHBondContact O-N 3.24Å; R230-Q232 VanDerWaalsContact O-N 3.17Å; R230-F233 PolarHBondContact N-O 3.46Å; R230-F233 PolarHBondContact O-N 3.04Å; R230-L235 HydrophobicContact CB-CD1 3.58Å; R230-L235 HydrophobicContact CB-CD2 4.41Å; R230-L235 HydrophobicContact CB-CG 4.06Å
231D88.2Confident93.8Very high93 Ų9335.2 Ų35.250%0.49717%0.171SC..THydrogen-bonded Turntrans53.6-115.4-171.6-49.2-50.7000110.9S147S147-D231 PolarHBondContact OG-OD1 2.92Å
232Q85.6Confident94Very high180 Ų18035.2 Ų35.284%0.84117%0.171SC*.THydrogen-bonded Turntrans-97.62.9179.4-59.6-62-33.600113.5R230R230-Q232 PolarHBondContact O-N 3.24Å; R230-Q232 VanDerWaalsContact O-N 3.17Å
233F90Very high94Very high145 Ų14535.2 Ų35.264%0.63617%0.171SC*.EExtended strand (participates in β ladder)trans-106.2125.4-173.6-59.3-78000111.5H229 R230 L235H229-F233 CarbonylContact C-O 3.56Å; H229-F233 VanDerWaalsContact CA-O 3.22Å; H229-F233 WeakPolarHBondContact CA-O 3.44Å; R230-F233 PolarHBondContact N-O 3.46Å; R230-F233 PolarHBondContact O-N 3.04Å; F233-L235 HydrophobicContact CB-CD2 4.46Å; F233-L235 PolarHBondContact O-N 3.36Å
234C92.1Very high94Very high43 Ų4335.2 Ų35.229%0.29117%0.171SC..EExtended strand (participates in β ladder)trans-70.7120.6164.7-175.90000108.4H229 Q266H229-C234 WeakPolarHBondContact ND1-CA 3.28Å; C234-Q266 VanDerWaalsContact O-CD 3.28Å; C234-Q266 PolarHBondContact O-NE2 3.27Å
235L91.6Very high93.7Very high56 Ų5637.8 Ų37.829%0.29318%0.184SC..EExtended strand (participates in β ladder)trans-92.8-19.6179.6-61.3-174.8000112.5L199 I228 R230 F233 G265 Q266L199-L235 HydrophobicContact CD2-CD1 3.77Å; I228-L235 HydrophobicContact CG2-CB 4.42Å; I228-L235 PolarHBondContact O-N 3.46Å; R230-L235 HydrophobicContact CB-CD1 3.58Å; R230-L235 HydrophobicContact CB-CD2 4.41Å; R230-L235 HydrophobicContact CB-CG 4.06Å; F233-L235 HydrophobicContact CB-CD2 4.46Å; F233-L235 PolarHBondContact O-N 3.36Å; L235-G265 CarbonylContact O-C 3.54Å; L235-G265 WeakPolarHBondContact O-CA 3.47Å; L235-Q266 PolarHBondContact O-N 3.16Å
236G91.8Very high93.3Very high2 Ų244 Ų442%0.02121%0.207CC..EExtended strand (participates in β ladder)trans154.9-155.1-178.800000113.1T227 I228 R264T227-G236 WeakPolarHBondContact CA-O 3.5Å; I228-G236 PolarHBondContact N-O 2.94Å; G236-R264 CarbonylContact C-O 3.58Å; G236-R264 VanDerWaalsContact CA-O 3.31Å; G236-R264 WeakPolarHBondContact CA-O 3.37Å
237I93.8Very high92.5Very high36 Ų3644.4 Ų44.419%0.18521%0.21CC..EExtended strand (participates in β ladder)trans-121.5157.6-17662.8173.6000111.5G226 T227 R264 I269 P277G226-I237 CarbonylContact O-C 3.55Å; G226-I237 VanDerWaalsContact O-CA 3.24Å; G226-I237 WeakPolarHBondContact O-CA 3.36Å; G226-I237 WeakPolarHBondContact O-CB 3.32Å; T227-I237 HydrophobicContact CG2-CG2 4.37Å; I237-R264 HydrophobicContact CG1-CB 4.02Å; I237-R264 PolarHBondContact N-O 3.06Å; I237-R264 PolarHBondContact O-N 3.26Å; I237-I269 HydrophobicContact CG1-CD1 4.28Å; I237-I269 HydrophobicContact CG2-CD1 4.41Å; I237-P277 HydrophobicContact CB-CB 4.44Å; I237-P277 HydrophobicContact CG2-CB 4.08Å
238F95.1Very high91.2Very high1 Ų148.3 Ų48.30%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-131.8155.8170.876-84.9000111.7F138 F201 P203 V224 A225 G226 I228 Q240 L261 K262 I263F138-F238 AromaticContact CE1-CE2 3.91Å; F138-F238 HydrophobicContact CE1-CE2 3.91Å; F138-F238 AromaticContact CE1-CZ 3.84Å; F138-F238 HydrophobicContact CE1-CZ 3.84Å; F138-F238 HydrophobicContact CE2-CZ 4.45Å; F138-F238 AromaticContact CZ-CE2 3.59Å; F138-F238 HydrophobicContact CZ-CE2 3.59Å; F138-F238 AromaticContact CZ-CZ 3.74Å; F138-F238 HydrophobicContact CZ-CZ 3.74Å; F201-F238 HydrophobicContact CB-CE1 4.14Å; F201-F238 HydrophobicContact CB-CZ 4.3Å; F201-F238 AromaticContact CD1-CD1 3.78Å; F201-F238 HydrophobicContact CD1-CD1 3.78Å; F201-F238 HydrophobicContact CD1-CD2 4.23Å; F201-F238 AromaticContact CD1-CE1 3.77Å; F201-F238 HydrophobicContact CD1-CE1 3.77Å; F201-F238 HydrophobicContact CD1-CE2 4.25Å; F201-F238 AromaticContact CD1-CG 3.99Å; F201-F238 HydrophobicContact CD1-CG 3.99Å; F201-F238 HydrophobicContact CD1-CZ 4.01Å; F201-F238 HydrophobicContact CE1-CD1 4.42Å; F201-F238 HydrophobicContact CE1-CG 4.29Å; F201-F238 HydrophobicContact CG-CE1 4.46Å; P203-F238 HydrophobicContact CB-CZ 4.37Å; V224-F238 HydrophobicContact CG1-CE2 4.38Å; A225-F238 CarbonylContact C-O 3.57Å; A225-F238 VanDerWaalsContact CA-O 3.25Å; A225-F238 WeakPolarHBondContact CA-O 3.46Å; G226-F238 VanDerWaalsContact C-CE1 3.44Å; G226-F238 PolarHBondContact N-O 2.83Å; G226-F238 WeakPolarHBondContact O-CD1 3.24Å; G226-F238 PolarHBondContact O-N 3.15Å; I228-F238 HydrophobicContact CD1-CB 3.8Å; I228-F238 HydrophobicContact CD1-CD1 4.4Å; I228-F238 HydrophobicContact CD1-CG 4.45Å; I228-F238 HydrophobicContact CG1-CB 4.17Å; I228-F238 HydrophobicContact CG1-CD1 3.82Å; I228-F238 HydrophobicContact CG1-CG 4.35Å; F238-Q240 HydrophobicContact CD2-CB 4.03Å; F238-Q240 HydrophobicContact CE2-CB 4.11Å; F238-L261 HydrophobicContact CB-CD1 4.18Å; F238-L261 HydrophobicContact CD2-CD1 4.07Å; F238-K262 CarbonylContact C-O 3.46Å; F238-K262 WeakPolarHBondContact CA-O 3.38Å; F238-K262 WeakPolarHBondContact CB-O 3.46Å; F238-I263 HydrophobicContact CB-CG1 4.38Å
239E95Very high89.7Confident6 Ų655.4 Ų55.43%0.02827%0.273CS..EExtended strand (participates in β ladder)trans-128.8128.8164.7-66.4-179.992.400107.9V224 A225 K262 R264 N280V224-E239 CarbonylContact O-C 3.55Å; V224-E239 WeakPolarHBondContact O-CA 3.27Å; A225-E239 HydrophobicContact CB-CG 4.19Å; E239-K262 HydrophobicContact CB-CB 4.44Å; E239-K262 PolarHBondContact N-O 3.25Å; E239-K262 PolarHBondContact O-N 3.33Å; E239-R264 IonicContact OE2-CZ 3.25Å; E239-R264 IonicContact OE2-NH2 3.38Å; E239-R264 PolarHBondContact OE2-NH2 3.11Å; E239-N280 WeakPolarHBondContact OE1-CB 3.5Å; E239-N280 PolarHBondContact OE1-N 2.78Å; E239-N280 PolarHBondContact OE1-ND2 2.94Å; E239-N280 PolarHBondContact OE2-ND2 3.27Å
240Q97.2Very high88.1Confident1 Ų157.8 Ų57.81%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-129.3129.6-178.1-161.4166.29.200110.5F138 G223 V224 F238 F242 I259 N260 L261F138-Q240 VanDerWaalsContact CZ-OE1 3.27Å; G223-Q240 CarbonylContact C-O 3.51Å; G223-Q240 WeakPolarHBondContact CA-O 3.41Å; V224-Q240 HydrophobicContact CG1-CB 4.08Å; V224-Q240 PolarHBondContact N-O 3.27Å; V224-Q240 PolarHBondContact O-N 3Å; F238-Q240 HydrophobicContact CD2-CB 4.03Å; F238-Q240 HydrophobicContact CE2-CB 4.11Å; Q240-F242 HydrophobicContact CB-CE2 3.96Å; Q240-F242 HydrophobicContact CB-CZ 4.33Å; Q240-F242 HydrophobicContact CG-CD2 4.23Å; Q240-F242 HydrophobicContact CG-CE1 4.16Å; Q240-F242 HydrophobicContact CG-CE2 3.55Å; Q240-F242 HydrophobicContact CG-CZ 3.52Å; Q240-F242 VanDerWaalsContact NE2-CZ 3.31Å; Q240-I259 HydrophobicContact CG-CG2 3.88Å; Q240-N260 CarbonylContact C-O 3.55Å; Q240-N260 VanDerWaalsContact CA-O 3.3Å; Q240-N260 WeakPolarHBondContact CA-O 3.28Å; Q240-L261 HydrophobicContact CB-CD1 3.98Å; Q240-L261 HydrophobicContact CG-CB 4.22Å; Q240-L261 HydrophobicContact CG-CD1 3.99Å
241I97.3Very high86.2Confident3 Ų363.1 Ų63.12%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-113.5126.7174.3-59.3172000108.2V222 F258 I259 N260 Y281 L286 L289V222-I241 CarbonylContact O-C 3.57Å; V222-I241 WeakPolarHBondContact O-CA 3.26Å; I241-F258 HydrophobicContact CG2-CE2 4.21Å; I241-I259 CarbonylContact O-C 3.59Å; I241-I259 VanDerWaalsContact O-CA 3.3Å; I241-I259 WeakPolarHBondContact O-CA 3.32Å; I241-N260 HydrophobicContact CB-CB 4.32Å; I241-N260 PolarHBondContact N-O 3.12Å; I241-N260 PolarHBondContact O-N 2.76Å; I241-Y281 HydrophobicContact CD1-CD1 4.13Å; I241-Y281 HydrophobicContact CD1-CD2 3.84Å; I241-Y281 HydrophobicContact CD1-CE1 3.91Å; I241-Y281 HydrophobicContact CD1-CE2 3.61Å; I241-Y281 HydrophobicContact CD1-CG 4.09Å; I241-L286 HydrophobicContact CD1-CD2 4.02Å; I241-L286 HydrophobicContact CG1-CD2 4.24Å; I241-L286 HydrophobicContact CG2-CD2 4.32Å; I241-L289 HydrophobicContact CD1-CD1 3.78Å; I241-L289 HydrophobicContact CG2-CD1 4.3Å
242F97.9Very high84.6Confident0 Ų063.6 Ų63.60%032%0.319CS..EExtended strand (participates in β ladder)trans-109.8135.6174.2-58.5-91.8000109.9F133 F137 F138 L221 V222 V224 Q240 L244 I256 F258 I259F133-F242 HydrophobicContact CE1-CB 4.03Å; F133-F242 AromaticContact CE1-CD1 3.76Å; F133-F242 HydrophobicContact CE1-CD1 3.76Å; F133-F242 AromaticContact CE1-CD2 3.64Å; F133-F242 HydrophobicContact CE1-CD2 3.64Å; F133-F242 HydrophobicContact CE1-CE1 4.04Å; F133-F242 AromaticContact CE1-CE2 3.91Å; F133-F242 HydrophobicContact CE1-CE2 3.91Å; F133-F242 AromaticContact CE1-CG 3.53Å; F133-F242 HydrophobicContact CE1-CG 3.53Å; F133-F242 HydrophobicContact CE1-CZ 4.09Å; F133-F242 HydrophobicContact CZ-CB 4.28Å; F133-F242 AromaticContact CZ-CD1 3.66Å; F133-F242 HydrophobicContact CZ-CD1 3.66Å; F133-F242 HydrophobicContact CZ-CD2 4.39Å; F133-F242 AromaticContact CZ-CE1 3.99Å; F133-F242 HydrophobicContact CZ-CE1 3.99Å; F133-F242 AromaticContact CZ-CG 3.87Å; F133-F242 HydrophobicContact CZ-CG 3.87Å; F133-F242 HydrophobicContact CZ-CZ 4.46Å; F137-F242 HydrophobicContact CD1-CE1 4.16Å; F137-F242 AromaticContact CD1-CZ 3.76Å; F137-F242 HydrophobicContact CD1-CZ 3.76Å; F137-F242 HydrophobicContact CD2-CE1 4.24Å; F137-F242 AromaticContact CE1-CE1 3.81Å; F137-F242 HydrophobicContact CE1-CE1 3.81Å; F137-F242 AromaticContact CE1-CZ 3.57Å; F137-F242 HydrophobicContact CE1-CZ 3.57Å; F137-F242 AromaticContact CE2-CE1 3.88Å; F137-F242 HydrophobicContact CE2-CE1 3.88Å; F137-F242 HydrophobicContact CE2-CZ 4.44Å; F137-F242 HydrophobicContact CG-CE1 4.37Å; F137-F242 HydrophobicContact CG-CZ 4.29Å; F137-F242 AromaticContact CZ-CE1 3.66Å; F137-F242 HydrophobicContact CZ-CE1 3.66Å; F137-F242 AromaticContact CZ-CZ 3.94Å; F137-F242 HydrophobicContact CZ-CZ 3.94Å; F138-F242 HydrophobicContact CZ-CE2 4.38Å; F138-F242 HydrophobicContact CZ-CZ 4.29Å; L221-F242 VanDerWaalsContact CA-O 3.31Å; L221-F242 WeakPolarHBondContact CA-O 3.48Å; V222-F242 HydrophobicContact CB-CB 4.4Å; V222-F242 PolarHBondContact N-O 3.25Å; V222-F242 PolarHBondContact O-N 3.09Å; V224-F242 HydrophobicContact CG1-CE2 3.89Å; Q240-F242 HydrophobicContact CB-CE2 3.96Å; Q240-F242 HydrophobicContact CB-CZ 4.33Å; Q240-F242 HydrophobicContact CG-CD2 4.23Å; Q240-F242 HydrophobicContact CG-CE1 4.16Å; Q240-F242 HydrophobicContact CG-CE2 3.55Å; Q240-F242 HydrophobicContact CG-CZ 3.52Å; Q240-F242 VanDerWaalsContact NE2-CZ 3.31Å; F242-L244 HydrophobicContact CB-CD2 4.07Å; F242-L244 HydrophobicContact CB-CG 4.4Å; F242-I256 HydrophobicContact CD1-CG2 4.38Å; F242-F258 WeakPolarHBondContact CA-O 3.48Å; F242-I259 HydrophobicContact CD1-CD1 4.25Å; F242-I259 HydrophobicContact CD1-CG1 3.86Å; F242-I259 HydrophobicContact CD1-CG2 4.49Å; F242-I259 HydrophobicContact CE1-CD1 4.08Å; F242-I259 HydrophobicContact CE1-CG1 4.12Å; F242-I259 HydrophobicContact CE1-CG2 4.32Å
243G96.6Very high84.2Confident0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-98.2120.2160.500000109.6K257 F258G243-K257 WeakPolarHBondContact O-CB 3.45Å; G243-K257 PolarHBondContact O-N 3.25Å; G243-F258 PolarHBondContact N-O 3.46Å; G243-F258 PolarHBondContact O-N 2.72Å
244L95.9Very high84.2Confident0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-112133-178.9-52.9-179.1000110L129 F133 V220 V222 F242 W254 K255 I256L129-L244 HydrophobicContact CD2-CD1 4.04Å; F133-L244 HydrophobicContact CB-CD1 4.25Å; F133-L244 HydrophobicContact CD1-CD1 4.08Å; F133-L244 HydrophobicContact CD2-CD1 3.72Å; F133-L244 HydrophobicContact CD2-CD2 4Å; F133-L244 HydrophobicContact CE1-CD1 4.44Å; F133-L244 HydrophobicContact CE1-CD2 4.27Å; F133-L244 HydrophobicContact CE2-CD1 4.09Å; F133-L244 HydrophobicContact CE2-CD2 3.49Å; F133-L244 VanDerWaalsContact CE2-CD2 3.49Å; F133-L244 HydrophobicContact CE2-CG 4.45Å; F133-L244 HydrophobicContact CG-CD1 3.72Å; F133-L244 HydrophobicContact CZ-CD1 4.46Å; F133-L244 HydrophobicContact CZ-CD2 3.67Å; V220-L244 HydrophobicContact CB-CB 4.38Å; V220-L244 PolarHBondContact N-O 2.75Å; V220-L244 PolarHBondContact O-N 2.97Å; V222-L244 HydrophobicContact CG2-CD1 3.66Å; V222-L244 HydrophobicContact CG2-CG 4.37Å; F242-L244 HydrophobicContact CB-CD2 4.07Å; F242-L244 HydrophobicContact CB-CG 4.4Å; L244-W254 HydrophobicContact CB-CE3 3.82Å; L244-K255 WeakPolarHBondContact CA-O 3.17Å; L244-I256 HydrophobicContact CD2-CB 4.47Å; L244-I256 HydrophobicContact CD2-CG1 3.86Å
245I91.9Very high84.3Confident54 Ų5452.3 Ų52.328%0.27727%0.265SS..EExtended strand (participates in β ladder)trans-127.3133173.7-60.3175.2000108W161 L219 S247 K255 K257W161-I245 HydrophobicContact CZ2-CG2 4.14Å; W161-I245 PolarHBondContact NE1-O 3.39Å; L219-I245 HydrophobicContact CD1-CD1 4.29Å; L219-I245 HydrophobicContact CD1-CG1 3.76Å; I245-S247 PolarHBondContact O-N 3.42Å; I245-K255 PolarHBondContact N-O 3.04Å; I245-K255 PolarHBondContact O-N 3.46Å; I245-K257 HydrophobicContact CD1-CB 3.86Å; I245-K257 HydrophobicContact CD1-CD 4.04Å; I245-K257 HydrophobicContact CD1-CG 3.71Å; I245-K257 HydrophobicContact CG1-CB 4.1Å; I245-K257 HydrophobicContact CG1-CG 4.48Å
246R86.7Confident84.5Confident132 Ų13249.7 Ų49.750%0.49825%0.251SS..EExtended strand (participates in β ladder)trans-63.1131.5177.5-163.8-175.9-126.3-163.87.7110.4N252 W254R246-N252 VanDerWaalsContact CZ-OD1 3.27Å; R246-N252 PolarHBondContact NE-OD1 2.86Å; R246-N252 PolarHBondContact NH2-OD1 3.31Å; R246-W254 HydrophobicContact CB-CD2 4.34Å; R246-W254 HydrophobicContact CB-CE3 4.23Å; R246-W254 HydrophobicContact CB-CH2 4.25Å; R246-W254 HydrophobicContact CB-CZ2 4.36Å; R246-W254 HydrophobicContact CB-CZ3 4.18Å
247S78.2Confident84.7Confident9 Ų952.4 Ų52.46%0.06326%0.262CS..  trans-76.4133.2173.2-170.20000110.1I245 L249 S253I245-S247 PolarHBondContact O-N 3.42Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-S253 VanDerWaalsContact CB-OG 3.31Å; S247-S253 WeakPolarHBondContact CB-OG 3.41Å; S247-S253 PolarHBondContact N-O 3.38Å
248P67.7Low84.9Confident109 Ų10952.5 Ų52.571%0.70826%0.262SS*.SBendtrans-79.6-12.4176.730.7-32.8000113.3
249L62.9Low85.1Confident154 Ų15452.5 Ų52.581%0.80626%0.261SS*.SBendtrans-96-25.5-169.1-61.5175.1000113.9S247S247-L249 VanDerWaalsContact C-N 3.3Å
250N60Low85.1Confident101 Ų10153 Ų5354%0.5426%0.264SS..SBendtrans-123.1129.9-178.4-71.95.2000108.9N252 S253N250-N252 PolarHBondContact O-N 3.47Å; N250-S253 WeakPolarHBondContact CB-OG 3.15Å; N250-S253 PolarHBondContact O-N 3.22Å; N250-S253 PolarHBondContact O-OG 3.47Å
251E54.2Low85.1Confident200 Ų20053 Ų5394%0.93526%0.264SS*.THydrogen-bonded Turntrans-49.8111.4-177-69-173.1168.700111.6S253E251-S253 VanDerWaalsContact C-N 3.28Å; E251-S253 PolarHBondContact O-N 3.09Å; E251-S253 VanDerWaalsContact O-N 3.17Å
252N55.2Low85Confident103 Ų10356.1 Ų56.155%0.55128%0.278SS*.THydrogen-bonded Turntrans57.927173-158.820.1000116.4R246 N250R246-N252 VanDerWaalsContact CZ-OD1 3.27Å; R246-N252 PolarHBondContact NE-OD1 2.86Å; R246-N252 PolarHBondContact NH2-OD1 3.31Å; N250-N252 PolarHBondContact O-N 3.47Å
253S77.7Confident84.8Confident34 Ų3457.2 Ų57.224%0.23828%0.283CS..  trans-86.3136174.767.90000112.1S247 N250 E251S247-S253 VanDerWaalsContact CB-OG 3.31Å; S247-S253 WeakPolarHBondContact CB-OG 3.41Å; S247-S253 PolarHBondContact N-O 3.38Å; N250-S253 WeakPolarHBondContact CB-OG 3.15Å; N250-S253 PolarHBondContact O-N 3.22Å; N250-S253 PolarHBondContact O-OG 3.47Å; E251-S253 VanDerWaalsContact C-N 3.28Å; E251-S253 PolarHBondContact O-N 3.09Å; E251-S253 VanDerWaalsContact O-N 3.17Å
254W89.2Confident84.5Confident50 Ų5060.7 Ų60.719%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-102.1132.7173.9-69.683.6000109.5F124 L129 V220 L244 R246F124-W254 HydrophobicContact CD2-CZ2 4.42Å; F124-W254 HydrophobicContact CE2-CH2 4.09Å; F124-W254 AromaticContact CE2-CZ2 3.42Å; F124-W254 HydrophobicContact CE2-CZ2 3.42Å; F124-W254 VanDerWaalsContact CE2-CZ2 3.42Å; F124-W254 AromaticContact CZ-CH2 3.76Å; F124-W254 HydrophobicContact CZ-CH2 3.76Å; F124-W254 AromaticContact CZ-CZ2 3.58Å; F124-W254 HydrophobicContact CZ-CZ2 3.58Å; L129-W254 HydrophobicContact CD1-CD2 4.12Å; L129-W254 HydrophobicContact CD1-CG 4.05Å; L129-W254 HydrophobicContact CD1-CZ2 4.33Å; L129-W254 VanDerWaalsContact CD1-NE1 3.27Å; L129-W254 HydrophobicContact CD2-CD2 4.19Å; L129-W254 HydrophobicContact CD2-CE3 4.45Å; L129-W254 HydrophobicContact CD2-CZ2 4.43Å; V220-W254 HydrophobicContact CB-CH2 4.37Å; V220-W254 HydrophobicContact CB-CZ3 3.95Å; V220-W254 HydrophobicContact CG2-CE3 4.38Å; V220-W254 HydrophobicContact CG2-CH2 3.38Å; V220-W254 HydrophobicContact CG2-CZ2 4.39Å; V220-W254 HydrophobicContact CG2-CZ3 3.37Å; L244-W254 HydrophobicContact CB-CE3 3.82Å; R246-W254 HydrophobicContact CB-CD2 4.34Å; R246-W254 HydrophobicContact CB-CE3 4.23Å; R246-W254 HydrophobicContact CB-CH2 4.25Å; R246-W254 HydrophobicContact CB-CZ2 4.36Å; R246-W254 HydrophobicContact CB-CZ3 4.18Å
255K93.8Very high84Confident48 Ų4861.5 Ų61.521%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-116.7146.7178.2-74.7-169.6172.6-151.90111.4Q158 W161 L244 I245 K257Q158-K255 WeakPolarHBondContact O-CE 3.5Å; Q158-K255 PolarHBondContact O-NZ 3.35Å; W161-K255 HydrophobicContact CD2-CB 4.43Å; W161-K255 HydrophobicContact CG-CB 4.21Å; L244-K255 WeakPolarHBondContact CA-O 3.17Å; I245-K255 PolarHBondContact N-O 3.04Å; I245-K255 PolarHBondContact O-N 3.46Å; K255-K257 PolarHBondContact O-N 3.49Å
256I97.2Very high83.2Confident1 Ų164.1 Ų64.11%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-79.1119.6-177.7-57.3164000109.6F133 F137 H159 F160 W161 V164 F242 L244 I259F133-I256 HydrophobicContact CE2-CD1 4.16Å; F133-I256 HydrophobicContact CE2-CG1 3.94Å; F133-I256 HydrophobicContact CZ-CD1 4.01Å; F133-I256 HydrophobicContact CZ-CG1 3.98Å; F137-I256 HydrophobicContact CD2-CD1 3.93Å; F137-I256 HydrophobicContact CE2-CD1 3.76Å; H159-I256 PolarHBondContact O-N 2.89Å; H159-I256 VanDerWaalsContact O-N 3.14Å; F160-I256 HydrophobicContact CD1-CB 3.75Å; F160-I256 HydrophobicContact CD1-CD1 3.91Å; F160-I256 HydrophobicContact CD1-CG1 4.4Å; F160-I256 HydrophobicContact CD1-CG2 4.06Å; F160-I256 HydrophobicContact CE1-CB 4.28Å; F160-I256 HydrophobicContact CE1-CD1 3.62Å; F160-I256 HydrophobicContact CE1-CG2 4.4Å; F160-I256 HydrophobicContact CZ-CD1 4.29Å; W161-I256 PolarHBondContact N-O 3.33Å; V164-I256 HydrophobicContact CG2-CG2 4.22Å; F242-I256 HydrophobicContact CD1-CG2 4.38Å; L244-I256 HydrophobicContact CD2-CB 4.47Å; L244-I256 HydrophobicContact CD2-CG1 3.86Å; I256-I259 HydrophobicContact CG2-CD1 3.91Å; I256-I259 HydrophobicContact CG2-CG1 3.53Å
257K95.9Very high82.1Confident58 Ų5864.4 Ų64.425%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-92.9-35.6177.7-178.662.8-178.9-167.70112.7W161 D163 V164 K165 G243 I245 K255W161-K257 HydrophobicContact CB-CD 4.22Å; W161-K257 HydrophobicContact CG-CD 4.29Å; D163-K257 IonicContact OD1-NZ 2.63Å; D163-K257 PolarHBondContact OD1-NZ 3.15Å; D163-K257 IonicContact OD2-NZ 2.98Å; D163-K257 PolarHBondContact OD2-NZ 3.09Å; V164-K257 VanDerWaalsContact CA-O 3.32Å; V164-K257 WeakPolarHBondContact CA-O 3.47Å; K165-K257 PolarHBondContact N-O 3.29Å; G243-K257 WeakPolarHBondContact O-CB 3.45Å; G243-K257 PolarHBondContact O-N 3.25Å; I245-K257 HydrophobicContact CD1-CB 3.86Å; I245-K257 HydrophobicContact CD1-CD 4.04Å; I245-K257 HydrophobicContact CD1-CG 3.71Å; I245-K257 HydrophobicContact CG1-CB 4.1Å; I245-K257 HydrophobicContact CG1-CG 4.48Å; K255-K257 PolarHBondContact O-N 3.49Å
258F97.5Very high80.9Confident39 Ų3966 Ų6617%0.17135%0.345CS..EExtended strand (participates in β ladder)trans-155.8160.2171.864.9-99.2000111.5K165 L219 L221 I241 F242 G243K165-F258 CarbonylContact O-C 3.54Å; K165-F258 WeakPolarHBondContact O-CA 3.36Å; L219-F258 HydrophobicContact CD1-CE1 4.27Å; L219-F258 HydrophobicContact CD2-CE1 4.28Å; L221-F258 HydrophobicContact CD2-CE1 4.11Å; L221-F258 HydrophobicContact CD2-CE2 4.21Å; L221-F258 HydrophobicContact CD2-CZ 3.4Å; I241-F258 HydrophobicContact CG2-CE2 4.21Å; F242-F258 WeakPolarHBondContact CA-O 3.48Å; G243-F258 PolarHBondContact N-O 3.46Å; G243-F258 PolarHBondContact O-N 2.72Å
259I98.3Very high80.3Confident0 Ų063.8 Ų63.80%033%0.327CS..EExtended strand (participates in β ladder)trans-134.4129.6175.9-56.4176.9000108.5F160 K165 L166 R167 V186 L190 Q240 I241 F242 I256 L261F160-I259 HydrophobicContact CE1-CD1 3.96Å; K165-I259 PolarHBondContact O-N 2.87Å; L166-I259 CarbonylContact C-O 3.58Å; L166-I259 WeakPolarHBondContact CA-O 3.45Å; L166-I259 HydrophobicContact CD1-CB 3.71Å; L166-I259 HydrophobicContact CD1-CG2 3.56Å; R167-I259 PolarHBondContact N-O 3.02Å; V186-I259 HydrophobicContact CG1-CD1 4.33Å; L190-I259 HydrophobicContact CD1-CD1 3.67Å; Q240-I259 HydrophobicContact CG-CG2 3.88Å; I241-I259 CarbonylContact O-C 3.59Å; I241-I259 VanDerWaalsContact O-CA 3.3Å; I241-I259 WeakPolarHBondContact O-CA 3.32Å; F242-I259 HydrophobicContact CD1-CD1 4.25Å; F242-I259 HydrophobicContact CD1-CG1 3.86Å; F242-I259 HydrophobicContact CD1-CG2 4.49Å; F242-I259 HydrophobicContact CE1-CD1 4.08Å; F242-I259 HydrophobicContact CE1-CG1 4.12Å; F242-I259 HydrophobicContact CE1-CG2 4.32Å; I256-I259 HydrophobicContact CG2-CD1 3.91Å; I256-I259 HydrophobicContact CG2-CG1 3.53Å; I259-L261 HydrophobicContact CG2-CB 4.34Å
260N96.6Very high79.3Confident16 Ų1665.2 Ų65.29%0.08633%0.329CS..EExtended strand (participates in β ladder)trans-113.6111162.7-52.5-40000107.4R167 Q240 I241R167-N260 VanDerWaalsContact CZ-OD1 3.29Å; R167-N260 PolarHBondContact NE-OD1 2.93Å; R167-N260 VanDerWaalsContact NH2-CG 3.34Å; R167-N260 PolarHBondContact NH2-ND2 3.04Å; R167-N260 VanDerWaalsContact NH2-ND2 3.14Å; R167-N260 PolarHBondContact NH2-OD1 2.94Å; R167-N260 CarbonylContact O-C 3.58Å; R167-N260 WeakPolarHBondContact O-CA 3.49Å; Q240-N260 CarbonylContact C-O 3.55Å; Q240-N260 VanDerWaalsContact CA-O 3.3Å; Q240-N260 WeakPolarHBondContact CA-O 3.28Å; I241-N260 HydrophobicContact CB-CB 4.32Å; I241-N260 PolarHBondContact N-O 3.12Å; I241-N260 PolarHBondContact O-N 2.76Å
261L96.9Very high78.7Confident2 Ų264.2 Ų64.21%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-109.8123.3178.9175.555.6000109.1L166 R167 L168 L169 L193 F201 F238 Q240 I259 I263L166-L261 HydrophobicContact CD1-CB 4.32Å; R167-L261 PolarHBondContact O-N 2.83Å; L168-L261 CarbonylContact C-O 3.51Å; L168-L261 WeakPolarHBondContact CA-O 3.39Å; L168-L261 HydrophobicContact CD1-CB 4.05Å; L168-L261 HydrophobicContact CD1-CD2 3.82Å; L168-L261 HydrophobicContact CD1-CG 3.73Å; L169-L261 PolarHBondContact N-O 3.29Å; L193-L261 HydrophobicContact CD1-CD2 3.83Å; F201-L261 HydrophobicContact CE1-CD1 4.45Å; F201-L261 HydrophobicContact CE1-CD2 4.49Å; F238-L261 HydrophobicContact CB-CD1 4.18Å; F238-L261 HydrophobicContact CD2-CD1 4.07Å; Q240-L261 HydrophobicContact CB-CD1 3.98Å; Q240-L261 HydrophobicContact CG-CB 4.22Å; Q240-L261 HydrophobicContact CG-CD1 3.99Å; I259-L261 HydrophobicContact CG2-CB 4.34Å; L261-I263 HydrophobicContact CD1-CG1 4.11Å; L261-I263 HydrophobicContact CD2-CD1 4.17Å; L261-I263 HydrophobicContact CD2-CG1 4.48Å; L261-I263 HydrophobicContact CG-CD1 4.29Å; L261-I263 HydrophobicContact CG-CG1 4.07Å
262K94.7Very high78.1Confident68 Ų6860 Ų6030%0.29633%0.331SS..EExtended strand (participates in β ladder)trans-113.2126.7173.1-62.4-178172177.30108.8L169 F238 E239 Y281L169-K262 HydrophobicContact CB-CG 4.13Å; L169-K262 HydrophobicContact CD2-CD 4.27Å; L169-K262 HydrophobicContact CD2-CG 4.1Å; L169-K262 CarbonylContact O-C 3.58Å; L169-K262 WeakPolarHBondContact O-CA 3.28Å; F238-K262 CarbonylContact C-O 3.46Å; F238-K262 WeakPolarHBondContact CA-O 3.38Å; F238-K262 WeakPolarHBondContact CB-O 3.46Å; E239-K262 HydrophobicContact CB-CB 4.44Å; E239-K262 PolarHBondContact N-O 3.25Å; E239-K262 PolarHBondContact O-N 3.33Å; K262-Y281 PolarHBondContact NZ-OH 2.63Å
263I93.1Very high77.5Confident23 Ų2363.7 Ų63.712%0.11835%0.345CS..EExtended strand (participates in β ladder)trans-119.2132.1178.2-62.9-179.9000108.6L168 L169 R171 I228 F238 L261L168-I263 HydrophobicContact CD1-CD1 4.08Å; L168-I263 HydrophobicContact CD1-CG1 4.4Å; L169-I263 PolarHBondContact O-N 2.68Å; R171-I263 PolarHBondContact N-O 3Å; I228-I263 HydrophobicContact CD1-CB 4.19Å; I228-I263 HydrophobicContact CD1-CD1 3.84Å; I228-I263 HydrophobicContact CD1-CG1 3.73Å; I228-I263 HydrophobicContact CD1-CG2 3.59Å; F238-I263 HydrophobicContact CB-CG1 4.38Å; L261-I263 HydrophobicContact CD1-CG1 4.11Å; L261-I263 HydrophobicContact CD2-CD1 4.17Å; L261-I263 HydrophobicContact CD2-CG1 4.48Å; L261-I263 HydrophobicContact CG-CD1 4.29Å; L261-I263 HydrophobicContact CG-CG1 4.07Å
264R90.6Very high76.2Confident73 Ų7369.5 Ų69.528%0.27538%0.379SS..EExtended strand (participates in β ladder)trans-127.9119.5175.7-69.3-176.7-85169.5-2.2109.5R171 G236 I237 E239 N280R171-R264 HydrophobicContact CB-CG 4.31Å; R171-R264 WeakPolarHBondContact O-CA 3.39Å; G236-R264 CarbonylContact C-O 3.58Å; G236-R264 VanDerWaalsContact CA-O 3.31Å; G236-R264 WeakPolarHBondContact CA-O 3.37Å; I237-R264 HydrophobicContact CG1-CB 4.02Å; I237-R264 PolarHBondContact N-O 3.06Å; I237-R264 PolarHBondContact O-N 3.26Å; E239-R264 IonicContact OE2-CZ 3.25Å; E239-R264 IonicContact OE2-NH2 3.38Å; E239-R264 PolarHBondContact OE2-NH2 3.11Å; R264-N280 PolarHBondContact NH2-ND2 3.29Å
265G86Confident74.6Confident17 Ų1770.7 Ų70.718%0.17540%0.399CS..EExtended strand (participates in β ladder)trans-74.8161.4174.400000112.5R171 L235 D267 G268R171-G265 PolarHBondContact O-N 3.39Å; L235-G265 CarbonylContact O-C 3.54Å; L235-G265 WeakPolarHBondContact O-CA 3.47Å; G265-D267 VanDerWaalsContact C-N 3.28Å; G265-D267 PolarHBondContact O-N 2.72Å; G265-G268 PolarHBondContact O-N 3.03Å
266Q75.4Confident72.9Confident110 Ų11071.8 Ų71.851%0.51442%0.417SS..G310 helixtrans-55.2-36.5-179.3-83.6-178.7-1000114.3C234 L235 G268 I269C234-Q266 VanDerWaalsContact O-CD 3.28Å; C234-Q266 PolarHBondContact O-NE2 3.27Å; L235-Q266 PolarHBondContact O-N 3.16Å; Q266-G268 PolarHBondContact O-N 3.15Å; Q266-G268 VanDerWaalsContact O-N 3.08Å; Q266-I269 PolarHBondContact O-N 3.08Å
267D62.7Low71.5Confident138 Ų13872.8 Ų72.874%0.73842%0.424SS*.G310 helixtrans-64.5-13.8178.1-55.9-35.7000113.1G265G265-D267 VanDerWaalsContact C-N 3.28Å; G265-D267 PolarHBondContact O-N 2.72Å
268G53.4Low70.3Confident42 Ų4272.4 Ų72.443%0.43343%0.432SS..G310 helixtrans-96.95.5173.100000114.8G265 Q266G265-G268 PolarHBondContact O-N 3.03Å; Q266-G268 PolarHBondContact O-N 3.15Å; Q266-G268 VanDerWaalsContact O-N 3.08Å
269I55.6Low69.1Low62 Ų6271.3 Ų71.332%0.31843%0.427SS..  trans-110.830.7-177.9-42.1177.6000110.3I237 Q266 G271I237-I269 HydrophobicContact CG1-CD1 4.28Å; I237-I269 HydrophobicContact CG2-CD1 4.41Å; Q266-I269 PolarHBondContact O-N 3.08Å; I269-G271 PolarHBondContact O-N 3Å
270E41Very low67.9Low184 Ų18476.2 Ų76.286%0.8645%0.454SS*.THydrogen-bonded Turntrans-62.1113.8177.3-74-169.5161.200111
271G46.7Very low66.3Low81 Ų8177.8 Ų77.884%0.83546%0.459SS*.THydrogen-bonded Turntrans111.36.7160.300000118I269I269-G271 PolarHBondContact O-N 3Å
272T42.4Very low64.9Low110 Ų11080.6 Ų80.668%0.67547%0.474SS*.SBendtrans-124131.3173.4-30.80000109.8
273E42.9Very low63.7Low181 Ų18179.7 Ų79.785%0.84648%0.476SS*.  trans-42.9146.7166.7-71.4179.9149.600109.9A275E273-A275 PolarHBondContact O-N 3.45Å
274V50.3Low62.2Low156 Ų15682.3 Ų82.395%0.94550%0.496SS*.  trans-65.871.1-179.7-172.60000109.6
275A54.6Low61.2Low75 Ų7582.8 Ų82.862%0.6250%0.502SS*.PPolyproline II helixtrans-67.2147.8169.800000108E273E273-A275 PolarHBondContact O-N 3.45Å
276A59.8Low60.2Low71 Ų7182 Ų8259%0.58749%0.493SS*.PPolyproline II helixtrans-52.8135.3174.200000109.5A278A276-A278 PolarHBondContact O-N 2.99Å
277P67.4Low59.8Low23 Ų2381.9 Ų81.915%0.14949%0.493CS..PPolyproline II helixtrans-58.8117.8179.724.9-34.2000108.8N204 A225 T227 I237N204-P277 HydrophobicContact CB-CG 4.23Å; N204-P277 PolarHBondContact ND2-O 3.25Å; A225-P277 HydrophobicContact CB-CB 4.27Å; T227-P277 HydrophobicContact CG2-CG 4.06Å; I237-P277 HydrophobicContact CB-CB 4.44Å; I237-P277 HydrophobicContact CG2-CB 4.08Å
278A70.8Confident60.1Low50 Ų5081.2 Ų81.241%0.41349%0.489SS..  trans-111.5148.8-179.800000109.7A276 N280A276-A278 PolarHBondContact O-N 2.99Å; A278-N280 PolarHBondContact O-N 2.91Å
279L72.9Confident61Low15 Ų1582 Ų828%0.07948%0.483CS..  trans-67.3124.7170.7-86.6153.2000109.8H208 G209 R211 G223 A225 Y281H208-L279 PolarHBondContact O-N 3.48Å; G209-L279 WeakPolarHBondContact O-CD1 3.41Å; R211-L279 HydrophobicContact CB-CD1 4.05Å; R211-L279 HydrophobicContact CG-CD1 3.97Å; G223-L279 VanDerWaalsContact O-CD1 3.31Å; G223-L279 WeakPolarHBondContact O-CD1 3.41Å; A225-L279 HydrophobicContact CB-CG 4.14Å; L279-Y281 HydrophobicContact CD2-CD2 4.46Å; L279-Y281 PolarHBondContact O-N 3.35Å
280N72.2Confident60.9Low104 Ų10480.4 Ų80.456%0.55648%0.477SS*.SBendtrans-70.3-21.6168.6-70.8-42.5000111.9E239 R264 A278E239-N280 WeakPolarHBondContact OE1-CB 3.5Å; E239-N280 PolarHBondContact OE1-N 2.78Å; E239-N280 PolarHBondContact OE1-ND2 2.94Å; E239-N280 PolarHBondContact OE2-ND2 3.27Å; R264-N280 PolarHBondContact NH2-ND2 3.29Å; A278-N280 PolarHBondContact O-N 2.91Å
281Y63.3Low61.3Low48 Ų4879 Ų7919%0.18849%0.487CS..  trans-79.9124.8179-69.2-89.6000111.5R211 I241 K262 L279 E285 L286R211-Y281 WeakPolarHBondContact CD-O 3.31Å; R211-Y281 PolarHBondContact NE-O 3.33Å; I241-Y281 HydrophobicContact CD1-CD1 4.13Å; I241-Y281 HydrophobicContact CD1-CD2 3.84Å; I241-Y281 HydrophobicContact CD1-CE1 3.91Å; I241-Y281 HydrophobicContact CD1-CE2 3.61Å; I241-Y281 HydrophobicContact CD1-CG 4.09Å; K262-Y281 PolarHBondContact NZ-OH 2.63Å; L279-Y281 HydrophobicContact CD2-CD2 4.46Å; L279-Y281 PolarHBondContact O-N 3.35Å; Y281-E285 WeakPolarHBondContact CA-OE2 3.31Å; Y281-E285 HydrophobicContact CD1-CB 4.12Å; Y281-L286 HydrophobicContact CG-CD2 4.37Å
282N67.6Low62.1Low62 Ų6278.9 Ų78.933%0.33247%0.469SS..  trans-85169.3166.671.154.6000111.7S284 E285 L286N282-S284 VanDerWaalsContact C-N 3.26Å; N282-S284 PolarHBondContact O-N 3.26Å; N282-S284 WeakPolarHBondContact OD1-CA 3.44Å; N282-S284 WeakPolarHBondContact OD1-CB 3.22Å; N282-S284 PolarHBondContact OD1-N 3.23Å; N282-E285 PolarHBondContact N-OE2 3.36Å; N282-E285 PolarHBondContact ND2-OE2 3.05Å; N282-E285 VanDerWaalsContact ND2-OE2 3.17Å; N282-E285 PolarHBondContact O-N 3.08Å; N282-E285 PolarHBondContact OD1-N 3.02Å; N282-L286 PolarHBondContact O-N 3Å
283S68.4Low63.1Low49 Ų4977.2 Ų77.234%0.34346%0.459SS..Hα-helixtrans-61.9-32.3-175.7-54.30000113.3R211 Q287R211-S283 PolarHBondContact NH1-OG 3.01Å; S283-Q287 VanDerWaalsContact O-CG 3.3Å; S283-Q287 WeakPolarHBondContact O-CG 3.39Å; S283-Q287 PolarHBondContact O-N 2.77Å
284S62.8Low64.2Low78 Ų7871.4 Ų71.455%0.54544%0.437SS..Hα-helixtrans-72.1-40.3177.8-49.10000111.6N282 Q287 L288N282-S284 VanDerWaalsContact C-N 3.26Å; N282-S284 PolarHBondContact O-N 3.26Å; N282-S284 WeakPolarHBondContact OD1-CA 3.44Å; N282-S284 WeakPolarHBondContact OD1-CB 3.22Å; N282-S284 PolarHBondContact OD1-N 3.23Å; S284-Q287 WeakPolarHBondContact O-CB 3.34Å; S284-Q287 PolarHBondContact O-N 3.17Å; S284-L288 WeakPolarHBondContact O-CG 3.49Å; S284-L288 PolarHBondContact O-N 2.88Å
285E69.9Low65Low82 Ų8266.5 Ų66.538%0.38341%0.407SS..Hα-helixtrans-67.1-37.5176-69.3167.6155.600112.1Y281 N282 L288Y281-E285 WeakPolarHBondContact CA-OE2 3.31Å; Y281-E285 HydrophobicContact CD1-CB 4.12Å; N282-E285 PolarHBondContact N-OE2 3.36Å; N282-E285 PolarHBondContact ND2-OE2 3.05Å; N282-E285 VanDerWaalsContact ND2-OE2 3.17Å; N282-E285 PolarHBondContact O-N 3.08Å; N282-E285 PolarHBondContact OD1-N 3.02Å; E285-L288 PolarHBondContact O-N 3.35Å
286L65.1Low65.7Low0 Ų065.9 Ų65.90%039%0.394CS..Hα-helixtrans-62.7-46.6170.2-73.1174000110.5R211 V213 L221 I241 Y281 N282 L288 L289R211-L286 HydrophobicContact CB-CD1 3.7Å; V213-L286 HydrophobicContact CG2-CB 3.9Å; L221-L286 HydrophobicContact CD1-CB 4.47Å; L221-L286 WeakPolarHBondContact CD1-O 3.44Å; I241-L286 HydrophobicContact CD1-CD2 4.02Å; I241-L286 HydrophobicContact CG1-CD2 4.24Å; I241-L286 HydrophobicContact CG2-CD2 4.32Å; Y281-L286 HydrophobicContact CG-CD2 4.37Å; N282-L286 PolarHBondContact O-N 3Å; L286-L288 PolarHBondContact O-N 3.25Å; L286-L289 HydrophobicContact CD2-CD1 4.46Å; L286-L289 WeakPolarHBondContact O-CB 3.29Å; L286-L289 PolarHBondContact O-N 3.28Å
287Q65.3Low66.1Low109 Ų10965.6 Ų65.651%0.50938%0.381SS..Hα-helixtrans-58.7-31.9178.3-78.2175.2-3.800113.7V213 S283 S284 L289 C290V213-Q287 HydrophobicContact CB-CG 4.34Å; V213-Q287 HydrophobicContact CG1-CG 4.41Å; V213-Q287 HydrophobicContact CG2-CG 4.22Å; S283-Q287 VanDerWaalsContact O-CG 3.3Å; S283-Q287 WeakPolarHBondContact O-CG 3.39Å; S283-Q287 PolarHBondContact O-N 2.77Å; S284-Q287 WeakPolarHBondContact O-CB 3.34Å; S284-Q287 PolarHBondContact O-N 3.17Å; Q287-L289 PolarHBondContact O-N 2.77Å; Q287-C290 WeakPolarHBondContact O-CB 3.21Å; Q287-C290 PolarHBondContact O-N 2.92Å
288L69.8Low66Low124 Ų12468.6 Ų68.665%0.64940%0.398SS*.Hα-helixtrans-61.5-30.3174.7-71.2171.9000112.4S284 E285 L286 C290 S291S284-L288 WeakPolarHBondContact O-CG 3.49Å; S284-L288 PolarHBondContact O-N 2.88Å; E285-L288 PolarHBondContact O-N 3.35Å; L286-L288 PolarHBondContact O-N 3.25Å; L288-C290 PolarHBondContact O-N 2.93Å; L288-S291 WeakPolarHBondContact O-CB 3.48Å; L288-S291 PolarHBondContact O-N 3.08Å; L288-S291 PolarHBondContact O-OG 3.11Å
289L71.8Confident65.6Low59 Ų5970.1 Ų70.131%0.30940%0.396SS..THydrogen-bonded Turntrans-75.7-6175.7-57.7173.2000113.3L221 I241 L286 Q287L221-L289 HydrophobicContact CD1-CB 3.78Å; I241-L289 HydrophobicContact CD1-CD1 3.78Å; I241-L289 HydrophobicContact CG2-CD1 4.3Å; L286-L289 HydrophobicContact CD2-CD1 4.46Å; L286-L289 WeakPolarHBondContact O-CB 3.29Å; L286-L289 PolarHBondContact O-N 3.28Å; Q287-L289 PolarHBondContact O-N 2.77Å
290C54.6Low65Low28 Ų2874.7 Ų74.719%0.18942%0.423CS..THydrogen-bonded Turntrans-84.5-9.7171.8-630000113.6L221 Q287 L288L221-C290 WeakPolarHBondContact CD1-SG 3.33Å; Q287-C290 WeakPolarHBondContact O-CB 3.21Å; Q287-C290 PolarHBondContact O-N 2.92Å; L288-C290 PolarHBondContact O-N 2.93Å
291S49.7Very low64.4Low153 Ų15372 Ų72100%1.0741%0.411SS*.  trans-90.20-174.7-23.50000111.1L288L288-S291 WeakPolarHBondContact O-CB 3.48Å; L288-S291 PolarHBondContact O-N 3.08Å; L288-S291 PolarHBondContact O-OG 3.11Å

Retrieved 291 of 291 residues in 204.4 ms (Link to these results)

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