A0A077ZLD9_TRITR Loading...

ABC tran and ABC tran 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M56.7Low74.9Confident190 Ų19098.9 Ų98.994%0.93646%0.456SS*.  0-53.10-86.9-150.7-88.200114.9R3 Y4 N5M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.91Å; M1-Y4 PolarHBondContact O-N 3.33Å; M1-N5 PolarHBondContact O-N 3.2Å
2K68.9Low75.5Confident196 Ų19695.6 Ų95.685%0.85246%0.459SS*.Hα-helixtrans-51.3-45.2-174.6-75.5-174.2177.6179.90114.4W6K2-W6 WeakPolarHBondContact O-CB 3.25Å; K2-W6 PolarHBondContact O-N 3.17Å
3R71.6Confident75.9Confident178 Ų17897.5 Ų97.567%0.67247%0.466SS*.Hα-helixtrans-65.6-47179.8-172.2175.3176.3168.90.8113.2M1 N5 W6 E7M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.91Å; R3-N5 PolarHBondContact O-N 2.89Å; R3-W6 PolarHBondContact O-N 3.41Å; R3-E7 IonicContact CZ-OE1 3.72Å; R3-E7 IonicContact NE-OE1 2.67Å; R3-E7 PolarHBondContact NE-OE1 3.47Å; R3-E7 IonicContact NH2-OE1 2.8Å; R3-E7 WeakPolarHBondContact O-CG 3.48Å; R3-E7 PolarHBondContact O-N 3.23Å
4Y73.2Confident76.2Confident57 Ų5791.8 Ų91.822%0.22444%0.439CS..Hα-helixtrans-56.1-52.2175.3174.1-97.3000111.7M1 W6 E7 Q8 T48 K50M1-Y4 PolarHBondContact O-N 3.33Å; Y4-W6 VanDerWaalsContact C-N 3.26Å; Y4-W6 PolarHBondContact O-N 3.14Å; Y4-E7 PolarHBondContact O-N 3.47Å; Y4-Q8 HydrophobicContact CD1-CG 4.24Å; Y4-Q8 HydrophobicContact CD2-CG 4.16Å; Y4-Q8 HydrophobicContact CE1-CG 3.78Å; Y4-Q8 HydrophobicContact CE2-CG 3.7Å; Y4-Q8 HydrophobicContact CG-CG 4.41Å; Y4-Q8 VanDerWaalsContact CZ-CG 3.48Å; Y4-Q8 WeakPolarHBondContact O-CG 3.48Å; Y4-Q8 PolarHBondContact O-N 3.47Å; Y4-T48 WeakPolarHBondContact CD2-O 3.41Å; Y4-T48 WeakPolarHBondContact CE2-O 3.28Å; Y4-K50 HydrophobicContact CE1-CB 4.38Å; Y4-K50 HydrophobicContact CE1-CG 4.26Å; Y4-K50 VanDerWaalsContact CE2-CA 3.44Å; Y4-K50 HydrophobicContact CE2-CB 3.78Å; Y4-K50 VanDerWaalsContact CE2-N 3.29Å
5N75.4Confident76.9Confident88 Ų8894.3 Ų94.347%0.47145%0.447SS..Hα-helixtrans-60.5-38.2-179.6-68.8-8.7000111.7M1 R3 A9M1-N5 PolarHBondContact O-N 3.2Å; R3-N5 PolarHBondContact O-N 2.89Å; N5-A9 VanDerWaalsContact O-CB 3.29Å; N5-A9 WeakPolarHBondContact O-CB 3.34Å; N5-A9 PolarHBondContact O-N 2.83Å
6W74.1Confident77.2Confident152 Ų15292.7 Ų92.758%0.57644%0.442SS*.Hα-helixtrans-66.9-45176.8-178.783.8000112.5K2 R3 Y4 A9 Q10K2-W6 WeakPolarHBondContact O-CB 3.25Å; K2-W6 PolarHBondContact O-N 3.17Å; R3-W6 PolarHBondContact O-N 3.41Å; Y4-W6 VanDerWaalsContact C-N 3.26Å; Y4-W6 PolarHBondContact O-N 3.14Å; W6-A9 PolarHBondContact O-N 3.09Å; W6-Q10 HydrophobicContact CZ2-CG 4.29Å; W6-Q10 VanDerWaalsContact CZ2-NE2 3.34Å; W6-Q10 PolarHBondContact O-N 3.32Å
7E79.2Confident77.2Confident20 Ų2089.1 Ų89.19%0.09342%0.424CS..Hα-helixtrans-64.5-42.4177.1-73.3177-170.200111.6R3 Y4 Q10 V11 T48R3-E7 IonicContact CZ-OE1 3.72Å; R3-E7 IonicContact NE-OE1 2.67Å; R3-E7 PolarHBondContact NE-OE1 3.47Å; R3-E7 IonicContact NH2-OE1 2.8Å; R3-E7 WeakPolarHBondContact O-CG 3.48Å; R3-E7 PolarHBondContact O-N 3.23Å; Y4-E7 PolarHBondContact O-N 3.47Å; E7-Q10 PolarHBondContact O-N 3.44Å; E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 3.27Å; E7-T48 PolarHBondContact OE1-OG1 3.48Å; E7-T48 VanDerWaalsContact OE2-CB 3.31Å; E7-T48 WeakPolarHBondContact OE2-CB 3.49Å; E7-T48 PolarHBondContact OE2-N 3.27Å; E7-T48 PolarHBondContact OE2-OG1 3.4Å
8Q80.4Confident77.4Confident64 Ų6486.1 Ų86.130%0.29941%0.41SS..Hα-helixtrans-65.7-39.5176.5-66.5-56.5-38.800112.4Y4 V11 A12Y4-Q8 HydrophobicContact CD1-CG 4.24Å; Y4-Q8 HydrophobicContact CD2-CG 4.16Å; Y4-Q8 HydrophobicContact CE1-CG 3.78Å; Y4-Q8 HydrophobicContact CE2-CG 3.7Å; Y4-Q8 HydrophobicContact CG-CG 4.41Å; Y4-Q8 VanDerWaalsContact CZ-CG 3.48Å; Y4-Q8 WeakPolarHBondContact O-CG 3.48Å; Y4-Q8 PolarHBondContact O-N 3.47Å; Q8-V11 PolarHBondContact O-N 3.4Å; Q8-A12 WeakPolarHBondContact O-CB 3.04Å; Q8-A12 PolarHBondContact O-N 2.83Å
9A78.3Confident77.5Confident59 Ų5985.7 Ų85.749%0.48842%0.423SS..Hα-helixtrans-63.6-40.5174.600000111.9N5 W6 A12 H13N5-A9 VanDerWaalsContact O-CB 3.29Å; N5-A9 WeakPolarHBondContact O-CB 3.34Å; N5-A9 PolarHBondContact O-N 2.83Å; W6-A9 PolarHBondContact O-N 3.09Å; A9-A12 PolarHBondContact O-N 3.48Å; A9-H13 WeakPolarHBondContact O-CB 3.4Å; A9-H13 PolarHBondContact O-N 3.09Å
10Q81.8Confident77.4Confident75 Ų7589.9 Ų89.935%0.3543%0.434SS..Hα-helixtrans-62.8-47.8173.4-80.1-141.5-16.200112.1W6 E7 A12 H13 M14 M42W6-Q10 HydrophobicContact CZ2-CG 4.29Å; W6-Q10 VanDerWaalsContact CZ2-NE2 3.34Å; W6-Q10 PolarHBondContact O-N 3.32Å; E7-Q10 PolarHBondContact O-N 3.44Å; Q10-A12 VanDerWaalsContact C-N 3.31Å; Q10-A12 PolarHBondContact O-N 3.34Å; Q10-H13 PolarHBondContact O-N 3.34Å; Q10-M14 WeakPolarHBondContact O-CB 3.32Å; Q10-M14 VanDerWaalsContact O-CG 3.27Å; Q10-M14 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 PolarHBondContact O-N 3.09Å; Q10-M42 HydrophobicContact CB-CE 4.28Å
11V84.2Confident77.6Confident9 Ų989 Ų896%0.05543%0.428CS..Hα-helixtrans-57.4-45.5177.3166.30000110.9E7 Q8 M14 K15 L39 M42 L47E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 3.27Å; Q8-V11 PolarHBondContact O-N 3.4Å; V11-M14 PolarHBondContact O-N 2.96Å; V11-K15 HydrophobicContact CG1-CD 4.19Å; V11-K15 WeakPolarHBondContact O-CB 3.4Å; V11-K15 WeakPolarHBondContact O-CG 3.28Å; V11-K15 PolarHBondContact O-N 2.99Å; V11-L39 HydrophobicContact CB-CD1 4.27Å; V11-L39 HydrophobicContact CG1-CD1 4.02Å; V11-L39 HydrophobicContact CG2-CD1 3.92Å; V11-M42 HydrophobicContact CG2-CE 4.4Å; V11-L47 HydrophobicContact CG2-CD2 3.72Å
12A82.7Confident78.1Confident59 Ų5981.3 Ų81.349%0.48840%0.397SS..Hα-helixtrans-61.7-47.3178.100000111.9Q8 A9 Q10 M14 K15 D16Q8-A12 WeakPolarHBondContact O-CB 3.04Å; Q8-A12 PolarHBondContact O-N 2.83Å; A9-A12 PolarHBondContact O-N 3.48Å; Q10-A12 VanDerWaalsContact C-N 3.31Å; Q10-A12 PolarHBondContact O-N 3.34Å; A12-M14 VanDerWaalsContact C-N 3.33Å; A12-M14 PolarHBondContact O-N 3.06Å; A12-K15 PolarHBondContact O-N 2.86Å; A12-D16 PolarHBondContact O-N 2.79Å
13H79.9Confident78.4Confident121 Ų12181.1 Ų81.156%0.5640%0.398SS*.Hα-helixtrans-63-37.6177.9-178.8-102.5000112.4A9 Q10 Y17A9-H13 WeakPolarHBondContact O-CB 3.4Å; A9-H13 PolarHBondContact O-N 3.09Å; Q10-H13 PolarHBondContact O-N 3.34Å; H13-Y17 WeakPolarHBondContact O-CB 3.5Å; H13-Y17 PolarHBondContact O-N 3.49Å
14M81.3Confident78.3Confident17 Ų1774.5 Ų74.58%0.08439%0.386CS..Hα-helixtrans-68.2-42.8175.7-69.9175.576.600111.8Q10 V11 A12 Y17 I18 K35 V38 L39 M42Q10-M14 WeakPolarHBondContact O-CB 3.32Å; Q10-M14 VanDerWaalsContact O-CG 3.27Å; Q10-M14 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 PolarHBondContact O-N 3.09Å; V11-M14 PolarHBondContact O-N 2.96Å; A12-M14 VanDerWaalsContact C-N 3.33Å; A12-M14 PolarHBondContact O-N 3.06Å; M14-Y17 PolarHBondContact O-N 3.43Å; M14-I18 WeakPolarHBondContact O-CD1 3.45Å; M14-I18 WeakPolarHBondContact O-CG1 3.3Å; M14-I18 PolarHBondContact O-N 3.04Å; M14-K35 HydrophobicContact CE-CB 4.18Å; M14-K35 WeakPolarHBondContact CE-O 3.33Å; M14-V38 HydrophobicContact CE-CB 3.7Å; M14-V38 HydrophobicContact CE-CG1 3.67Å; M14-L39 HydrophobicContact CE-CB 3.8Å; M14-M42 HydrophobicContact SD-SD 3.86Å
15K85.5Confident78.4Confident129 Ų12975.5 Ų75.556%0.56140%0.401SS*.Hα-helixtrans-62.5-47175.8-76.2-177.5175.5-175.60112.3V11 A12 Y17 I18 A19 L39V11-K15 HydrophobicContact CG1-CD 4.19Å; V11-K15 WeakPolarHBondContact O-CB 3.4Å; V11-K15 WeakPolarHBondContact O-CG 3.28Å; V11-K15 PolarHBondContact O-N 2.99Å; A12-K15 PolarHBondContact O-N 2.86Å; K15-Y17 VanDerWaalsContact C-N 3.31Å; K15-Y17 PolarHBondContact O-N 3.47Å; K15-I18 PolarHBondContact O-N 3.3Å; K15-A19 WeakPolarHBondContact O-CB 3.43Å; K15-A19 PolarHBondContact O-N 3.29Å; K15-L39 HydrophobicContact CG-CD2 3.87Å
16D81.8Confident78.5Confident69 Ų6974.8 Ų74.837%0.36941%0.407SS..Hα-helixtrans-60.8-41.1176.9-178.857.5000111.2A12 A19 R20A12-D16 PolarHBondContact O-N 2.79Å; D16-A19 PolarHBondContact O-N 2.9Å; D16-R20 VanDerWaalsContact CG-NE 3.31Å; D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 3.33Å; D16-R20 PolarHBondContact O-N 2.91Å; D16-R20 IonicContact OD1-CZ 2.83Å; D16-R20 IonicContact OD1-NE 2.71Å; D16-R20 PolarHBondContact OD1-NE 2.81Å; D16-R20 IonicContact OD1-NH2 3.86Å; D16-R20 PolarHBondContact OD1-NH2 2.89Å; D16-R20 IonicContact OD2-CZ 3.84Å; D16-R20 IonicContact OD2-NE 2.81Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH1 3.8Å; D16-R20 IonicContact OD2-NH2 3.02Å; D16-R20 PolarHBondContact OD2-NH2 3.45Å; D16-R20 VanDerWaalsContact OD2-NH2 3.13Å
17Y78.6Confident78.7Confident32 Ų3275.9 Ų75.913%0.12542%0.416CS..Hα-helixtrans-63.5-45174.9-171-82.6000112.8H13 M14 K15 A19 R20 F21 Q31 A32 K35H13-Y17 WeakPolarHBondContact O-CB 3.5Å; H13-Y17 PolarHBondContact O-N 3.49Å; M14-Y17 PolarHBondContact O-N 3.43Å; K15-Y17 VanDerWaalsContact C-N 3.31Å; K15-Y17 PolarHBondContact O-N 3.47Å; Y17-A19 VanDerWaalsContact C-N 3.33Å; Y17-A19 PolarHBondContact O-N 3.17Å; Y17-R20 PolarHBondContact O-N 2.99Å; Y17-F21 HydrophobicContact CD1-CB 4.47Å; Y17-F21 HydrophobicContact CD1-CD2 4.01Å; Y17-F21 AromaticContact CD2-CD2 3.52Å; Y17-F21 HydrophobicContact CD2-CD2 3.52Å; Y17-F21 AromaticContact CD2-CE2 3.7Å; Y17-F21 HydrophobicContact CD2-CE2 3.7Å; Y17-F21 HydrophobicContact CE1-CB 4.13Å; Y17-F21 AromaticContact CE1-CD2 3.99Å; Y17-F21 HydrophobicContact CE1-CD2 3.99Å; Y17-F21 HydrophobicContact CE1-CG 4.4Å; Y17-F21 AromaticContact CE2-CD2 3.47Å; Y17-F21 HydrophobicContact CE2-CD2 3.47Å; Y17-F21 VanDerWaalsContact CE2-CD2 3.47Å; Y17-F21 AromaticContact CE2-CE2 3.68Å; Y17-F21 HydrophobicContact CE2-CE2 3.68Å; Y17-F21 HydrophobicContact CE2-CG 4.37Å; Y17-F21 AromaticContact CG-CD2 3.8Å; Y17-F21 HydrophobicContact CG-CD2 3.8Å; Y17-F21 HydrophobicContact CG-CE2 4.36Å; Y17-F21 AromaticContact CZ-CD2 3.7Å; Y17-F21 WeakPolarHBondContact O-CB 3.46Å; Y17-F21 WeakPolarHBondContact O-CD2 3.48Å; Y17-F21 PolarHBondContact O-N 3.06Å; Y17-Q31 HydrophobicContact CE1-CB 4.5Å; Y17-Q31 HydrophobicContact CE1-CG 4.26Å; Y17-Q31 PolarHBondContact OH-OE1 3.24Å; Y17-A32 HydrophobicContact CE1-CB 4.46Å; Y17-K35 HydrophobicContact CD1-CD 3.5Å; Y17-K35 VanDerWaalsContact CD1-CD 3.5Å; Y17-K35 HydrophobicContact CE1-CD 3.97Å; Y17-K35 HydrophobicContact CG-CD 3.86Å
18I79.6Confident78.7Confident34 Ų3477.7 Ų77.717%0.17443%0.426CS..Hα-helixtrans-61.9-43.5178.4-67.7160.6000110.1M14 K15 R20 G22 K35 E36 L39M14-I18 WeakPolarHBondContact O-CD1 3.45Å; M14-I18 WeakPolarHBondContact O-CG1 3.3Å; M14-I18 PolarHBondContact O-N 3.04Å; K15-I18 PolarHBondContact O-N 3.3Å; I18-R20 PolarHBondContact O-N 3.07Å; I18-G22 WeakPolarHBondContact O-CA 3.48Å; I18-G22 PolarHBondContact O-N 3.48Å; I18-K35 HydrophobicContact CD1-CB 4.46Å; I18-K35 HydrophobicContact CG1-CB 4.3Å; I18-E36 HydrophobicContact CD1-CB 3.9Å; I18-E36 HydrophobicContact CD1-CG 4.41Å; I18-E36 HydrophobicContact CG1-CB 4.45Å; I18-L39 HydrophobicContact CD1-CD2 4.08Å
19A79.3Confident78.7Confident79 Ų7975.7 Ų75.765%0.65342%0.42SS*.Hα-helixtrans-62.5-41.5177.700000112.7K15 D16 Y17K15-A19 WeakPolarHBondContact O-CB 3.43Å; K15-A19 PolarHBondContact O-N 3.29Å; D16-A19 PolarHBondContact O-N 2.9Å; Y17-A19 VanDerWaalsContact C-N 3.33Å; Y17-A19 PolarHBondContact O-N 3.17Å
20R76.5Confident78.8Confident170 Ų17082 Ų8264%0.64243%0.432SS*.Hα-helixtrans-74.8-35.3-178.7-71.5178.6-169.5-159.24.5114D16 Y17 I18D16-R20 VanDerWaalsContact CG-NE 3.31Å; D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 VanDerWaalsContact O-CG 3.3Å; D16-R20 WeakPolarHBondContact O-CG 3.33Å; D16-R20 PolarHBondContact O-N 2.91Å; D16-R20 IonicContact OD1-CZ 2.83Å; D16-R20 IonicContact OD1-NE 2.71Å; D16-R20 PolarHBondContact OD1-NE 2.81Å; D16-R20 IonicContact OD1-NH2 3.86Å; D16-R20 PolarHBondContact OD1-NH2 2.89Å; D16-R20 IonicContact OD2-CZ 3.84Å; D16-R20 IonicContact OD2-NE 2.81Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH1 3.8Å; D16-R20 IonicContact OD2-NH2 3.02Å; D16-R20 PolarHBondContact OD2-NH2 3.45Å; D16-R20 VanDerWaalsContact OD2-NH2 3.13Å; Y17-R20 PolarHBondContact O-N 2.99Å; I18-R20 PolarHBondContact O-N 3.07Å
21F80.3Confident78.8Confident72 Ų7283.1 Ų83.132%0.31644%0.437SS..Hα-helixtrans-118.9-2.8-166.9-60.2-67.7000114.6Y17 H23 G24 L28Y17-F21 HydrophobicContact CD1-CB 4.47Å; Y17-F21 HydrophobicContact CD1-CD2 4.01Å; Y17-F21 AromaticContact CD2-CD2 3.52Å; Y17-F21 HydrophobicContact CD2-CD2 3.52Å; Y17-F21 AromaticContact CD2-CE2 3.7Å; Y17-F21 HydrophobicContact CD2-CE2 3.7Å; Y17-F21 HydrophobicContact CE1-CB 4.13Å; Y17-F21 AromaticContact CE1-CD2 3.99Å; Y17-F21 HydrophobicContact CE1-CD2 3.99Å; Y17-F21 HydrophobicContact CE1-CG 4.4Å; Y17-F21 AromaticContact CE2-CD2 3.47Å; Y17-F21 HydrophobicContact CE2-CD2 3.47Å; Y17-F21 VanDerWaalsContact CE2-CD2 3.47Å; Y17-F21 AromaticContact CE2-CE2 3.68Å; Y17-F21 HydrophobicContact CE2-CE2 3.68Å; Y17-F21 HydrophobicContact CE2-CG 4.37Å; Y17-F21 AromaticContact CG-CD2 3.8Å; Y17-F21 HydrophobicContact CG-CD2 3.8Å; Y17-F21 HydrophobicContact CG-CE2 4.36Å; Y17-F21 AromaticContact CZ-CD2 3.7Å; Y17-F21 WeakPolarHBondContact O-CB 3.46Å; Y17-F21 WeakPolarHBondContact O-CD2 3.48Å; Y17-F21 PolarHBondContact O-N 3.06Å; F21-H23 VanDerWaalsContact C-N 3.25Å; F21-H23 PolarHBondContact O-N 3.27Å; F21-G24 PolarHBondContact O-N 3.12Å; F21-L28 HydrophobicContact CB-CB 4.35Å; F21-L28 HydrophobicContact CD1-CD1 4.11Å; F21-L28 HydrophobicContact CD1-CD2 4.04Å; F21-L28 HydrophobicContact CG-CD2 4.42Å
22G67.6Low78.6Confident27 Ų2782.8 Ų82.828%0.27844%0.435SS..THydrogen-bonded Turntrans-60.7-29.3-178.500000114.6I18I18-G22 WeakPolarHBondContact O-CA 3.48Å; I18-G22 PolarHBondContact O-N 3.48Å
23H74.5Confident78.6Confident192 Ų19286 Ų8689%0.88944%0.44SS*.THydrogen-bonded Turntrans-111.312.5-178.8-56.6-72.6000113.7F21F21-H23 VanDerWaalsContact C-N 3.25Å; F21-H23 PolarHBondContact O-N 3.27Å
24G71.2Confident78.7Confident39 Ų3983.7 Ų83.740%0.40244%0.438SS..SBendtrans-82.8-161.8-177.800000114.2F21F21-G24 PolarHBondContact O-N 3.12Å
25S73.7Confident78.8Confident79 Ų7985.1 Ų85.155%0.55244%0.443SS*.  trans-45.5146.2173.1173.20000112.3K27 L28 A29S25-K27 PolarHBondContact O-N 3.1Å; S25-L28 WeakPolarHBondContact O-CA 3.39Å; S25-L28 WeakPolarHBondContact O-CB 3.21Å; S25-L28 PolarHBondContact O-N 3.38Å; S25-A29 PolarHBondContact O-N 3.47Å
26A77.7Confident78.8Confident73 Ų7384.3 Ų84.360%0.60344%0.442SS*.Hα-helixtrans-49.2-33.3-179.400000113.9R30A26-R30 WeakPolarHBondContact O-CG 3.38Å; A26-R30 PolarHBondContact O-N 3.02Å
27K79.5Confident79Confident175 Ų17588.3 Ų88.376%0.76146%0.456SS*.Hα-helixtrans-68.3-44.2174.8-172.2179179.4-179.20112.4S25 Q31S25-K27 PolarHBondContact O-N 3.1Å; K27-Q31 PolarHBondContact O-N 3.26Å
28L78.5Confident79.2Confident58 Ų5890.1 Ų90.130%0.30447%0.47SS..Hα-helixtrans-70.7-41.5179.9-72.6166.6000111.6F21 S25 R30 Q31 A32F21-L28 HydrophobicContact CB-CB 4.35Å; F21-L28 HydrophobicContact CD1-CD1 4.11Å; F21-L28 HydrophobicContact CD1-CD2 4.04Å; F21-L28 HydrophobicContact CG-CD2 4.42Å; S25-L28 WeakPolarHBondContact O-CA 3.39Å; S25-L28 WeakPolarHBondContact O-CB 3.21Å; S25-L28 PolarHBondContact O-N 3.38Å; L28-R30 PolarHBondContact O-N 3.28Å; L28-Q31 WeakPolarHBondContact O-CB 3.27Å; L28-Q31 PolarHBondContact O-N 2.9Å; L28-Q31 VanDerWaalsContact O-N 3.08Å; L28-A32 PolarHBondContact O-N 2.81Å
29A79.7Confident79.5Confident21 Ų2189.4 Ų89.417%0.17447%0.466CS..Hα-helixtrans-60.4-43.217700000112S25 Q31 A32 Q33S25-A29 PolarHBondContact O-N 3.47Å; A29-Q31 VanDerWaalsContact C-N 3.3Å; A29-Q31 PolarHBondContact O-N 3.46Å; A29-A32 PolarHBondContact O-N 3.29Å; A29-Q33 WeakPolarHBondContact O-CG 3.48Å; A29-Q33 PolarHBondContact O-N 3.13Å
30R80.9Confident79.6Confident193 Ų19387.6 Ų87.673%0.72846%0.455SS*.Hα-helixtrans-61.3-37.6173.3-75.8179.4-176.4172.92.6112.5A26 L28 S34A26-R30 WeakPolarHBondContact O-CG 3.38Å; A26-R30 PolarHBondContact O-N 3.02Å; L28-R30 PolarHBondContact O-N 3.28Å; R30-S34 PolarHBondContact O-N 2.93Å
31Q81Confident79.8Confident97 Ų9786.2 Ų86.245%0.45345%0.454SS..Hα-helixtrans-70.1-37.6177.9-165.2171.112.600111.8Y17 K27 L28 A29 S34 K35Y17-Q31 HydrophobicContact CE1-CB 4.5Å; Y17-Q31 HydrophobicContact CE1-CG 4.26Å; Y17-Q31 PolarHBondContact OH-OE1 3.24Å; K27-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 WeakPolarHBondContact O-CB 3.27Å; L28-Q31 PolarHBondContact O-N 2.9Å; L28-Q31 VanDerWaalsContact O-N 3.08Å; A29-Q31 VanDerWaalsContact C-N 3.3Å; A29-Q31 PolarHBondContact O-N 3.46Å; Q31-S34 PolarHBondContact O-N 3.49Å; Q31-K35 PolarHBondContact O-N 3.48Å; Q31-K35 VanDerWaalsContact O-N 3.09Å
32A81.1Confident79.7Confident2 Ų284.5 Ų84.52%0.01745%0.447CS..Hα-helixtrans-63.6-47.5173.300000111.8Y17 L28 A29 S34 K35 E36Y17-A32 HydrophobicContact CE1-CB 4.46Å; L28-A32 PolarHBondContact O-N 2.81Å; A29-A32 PolarHBondContact O-N 3.29Å; A32-S34 VanDerWaalsContact C-N 3.29Å; A32-S34 PolarHBondContact O-N 2.96Å; A32-K35 CarbonylContact O-C 3.59Å; A32-K35 PolarHBondContact O-N 3.28Å; A32-K35 VanDerWaalsContact O-N 3.09Å; A32-E36 PolarHBondContact O-N 2.88Å
33Q83.3Confident80.2Confident127 Ų12787.1 Ų87.159%0.59346%0.457SS*.Hα-helixtrans-58.9-38.7175.1-74.6179.1-8.500112.7A29 E36 K37A29-Q33 WeakPolarHBondContact O-CG 3.48Å; A29-Q33 PolarHBondContact O-N 3.13Å; Q33-E36 PolarHBondContact O-N 2.9Å; Q33-K37 PolarHBondContact O-N 3.42Å
34S80.6Confident80.3Confident73 Ų7382.1 Ų82.151%0.5145%0.45SS..Hα-helixtrans-61.9-45.9174.2-175.90000111.5R30 Q31 A32 E36 K37 V38R30-S34 PolarHBondContact O-N 2.93Å; Q31-S34 PolarHBondContact O-N 3.49Å; A32-S34 VanDerWaalsContact C-N 3.29Å; A32-S34 PolarHBondContact O-N 2.96Å; S34-E36 VanDerWaalsContact C-N 3.34Å; S34-E36 PolarHBondContact O-N 3.08Å; S34-K37 PolarHBondContact O-N 3.3Å; S34-V38 WeakPolarHBondContact O-CG2 3.12Å; S34-V38 PolarHBondContact O-N 2.95Å
35K83.9Confident80.5Confident46 Ų4684.9 Ų84.920%0.246%0.463CS..Hα-helixtrans-64.8-36.9175.2-72.1-167.6-175179.20112.4M14 Y17 I18 Q31 A32 K37 V38 L39M14-K35 HydrophobicContact CE-CB 4.18Å; M14-K35 WeakPolarHBondContact CE-O 3.33Å; Y17-K35 HydrophobicContact CD1-CD 3.5Å; Y17-K35 VanDerWaalsContact CD1-CD 3.5Å; Y17-K35 HydrophobicContact CE1-CD 3.97Å; Y17-K35 HydrophobicContact CG-CD 3.86Å; I18-K35 HydrophobicContact CD1-CB 4.46Å; I18-K35 HydrophobicContact CG1-CB 4.3Å; Q31-K35 PolarHBondContact O-N 3.48Å; Q31-K35 VanDerWaalsContact O-N 3.09Å; A32-K35 CarbonylContact O-C 3.59Å; A32-K35 PolarHBondContact O-N 3.28Å; A32-K35 VanDerWaalsContact O-N 3.09Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 3.43Å; K35-V38 PolarHBondContact O-N 3.39Å; K35-L39 WeakPolarHBondContact O-CB 3.31Å; K35-L39 PolarHBondContact O-N 3.28Å
36E85.6Confident80.1Confident113 Ų11383.5 Ų83.553%0.52846%0.461SS..Hα-helixtrans-61.2-42.6175-170.8174.3-160.300111.4I18 A32 Q33 S34 V38 L39 G40I18-E36 HydrophobicContact CD1-CB 3.9Å; I18-E36 HydrophobicContact CD1-CG 4.41Å; I18-E36 HydrophobicContact CG1-CB 4.45Å; A32-E36 PolarHBondContact O-N 2.88Å; Q33-E36 PolarHBondContact O-N 2.9Å; S34-E36 VanDerWaalsContact C-N 3.34Å; S34-E36 PolarHBondContact O-N 3.08Å; E36-V38 PolarHBondContact O-N 2.94Å; E36-L39 PolarHBondContact O-N 3.36Å; E36-G40 PolarHBondContact O-N 2.57Å
37K85.7Confident79.7Confident153 Ų15382.7 Ų82.767%0.66545%0.446SS*.Hα-helixtrans-64.3-39.7174.3-165.9176.6-174.21740112.6Q33 S34 K35 K41Q33-K37 PolarHBondContact O-N 3.42Å; S34-K37 PolarHBondContact O-N 3.3Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-K37 PolarHBondContact O-N 3.43Å; K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 3.25Å
38V83.9Confident78.9Confident69 Ų6976.8 Ų76.842%0.41843%0.425SS..Hα-helixtrans-66.9-42175.1176.20000110.7M14 S34 K35 E36 G40 K41 M42M14-V38 HydrophobicContact CE-CB 3.7Å; M14-V38 HydrophobicContact CE-CG1 3.67Å; S34-V38 WeakPolarHBondContact O-CG2 3.12Å; S34-V38 PolarHBondContact O-N 2.95Å; K35-V38 PolarHBondContact O-N 3.39Å; E36-V38 PolarHBondContact O-N 2.94Å; V38-G40 VanDerWaalsContact C-N 3.33Å; V38-G40 PolarHBondContact O-N 2.86Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.06Å; V38-M42 HydrophobicContact CG1-SD 4.37Å; V38-M42 WeakPolarHBondContact O-CG 3.45Å; V38-M42 PolarHBondContact O-N 2.83Å
39L84Confident77.9Confident19 Ų1982 Ų8210%0.09945%0.448CS..Hα-helixtrans-61.8-44.3177.1179.862.3000110.2V11 M14 K15 I18 K35 E36 K41 M42 V43V11-L39 HydrophobicContact CB-CD1 4.27Å; V11-L39 HydrophobicContact CG1-CD1 4.02Å; V11-L39 HydrophobicContact CG2-CD1 3.92Å; M14-L39 HydrophobicContact CE-CB 3.8Å; K15-L39 HydrophobicContact CG-CD2 3.87Å; I18-L39 HydrophobicContact CD1-CD2 4.08Å; K35-L39 WeakPolarHBondContact O-CB 3.31Å; K35-L39 PolarHBondContact O-N 3.28Å; E36-L39 PolarHBondContact O-N 3.36Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 3.27Å; L39-M42 PolarHBondContact O-N 2.99Å; L39-M42 VanDerWaalsContact O-N 3.17Å; L39-V43 HydrophobicContact CD1-CG2 4.38Å; L39-V43 VanDerWaalsContact O-CG2 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 3.27Å
40G81.7Confident76.7Confident41 Ų4187.7 Ų87.742%0.42347%0.468SS..Hα-helixtrans-58.2-42174.100000112.6E36 V38 V43 A44E36-G40 PolarHBondContact O-N 2.57Å; V38-G40 VanDerWaalsContact C-N 3.33Å; V38-G40 PolarHBondContact O-N 2.86Å; G40-V43 PolarHBondContact O-N 2.65Å; G40-A44 VanDerWaalsContact O-CB 3.25Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.5Å
41K81.5Confident75.4Confident142 Ų14284 Ų8462%0.61747%0.467SS*.Hα-helixtrans-64.4-41.3173.9-75-177.2177-172.30112.8K37 V38 L39 A44 S45K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 3.25Å; V38-K41 WeakPolarHBondContact O-CB 3.48Å; V38-K41 PolarHBondContact O-N 3.06Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 3.27Å; K41-A44 PolarHBondContact O-N 3.38Å; K41-S45 PolarHBondContact O-N 3.02Å; K41-S45 PolarHBondContact O-OG 2.68Å
42M78.3Confident73.9Confident35 Ų3584.6 Ų84.617%0.17248%0.477CS..Hα-helixtrans-64.6-41.6177.5-74.1177.268.700112Q10 V11 M14 V38 L39 S45Q10-M42 HydrophobicContact CB-CE 4.28Å; V11-M42 HydrophobicContact CG2-CE 4.4Å; M14-M42 HydrophobicContact SD-SD 3.86Å; V38-M42 HydrophobicContact CG1-SD 4.37Å; V38-M42 WeakPolarHBondContact O-CG 3.45Å; V38-M42 PolarHBondContact O-N 2.83Å; L39-M42 PolarHBondContact O-N 2.99Å; L39-M42 VanDerWaalsContact O-N 3.17Å; M42-S45 WeakPolarHBondContact CA-OG 3.33Å; M42-S45 PolarHBondContact O-N 2.97Å; M42-S45 PolarHBondContact O-OG 2.76Å
43V78.2Confident72.3Confident82 Ų8290.9 Ų90.950%0.49751%0.506SS..Hα-helixtrans-65.6-42.2175.1175.90000110.2L39 G40 S45 G46 L47L39-V43 HydrophobicContact CD1-CG2 4.38Å; L39-V43 VanDerWaalsContact O-CG2 3.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 3.27Å; G40-V43 PolarHBondContact O-N 2.65Å; V43-S45 PolarHBondContact O-N 2.87Å; V43-G46 PolarHBondContact O-N 3.05Å; V43-G46 VanDerWaalsContact O-N 3.14Å; V43-L47 HydrophobicContact CG2-CD1 4.21Å
44A75.6Confident70.3Confident88 Ų8891.5 Ų91.573%0.72751%0.514SS*.Hα-helixtrans-67.2-31.3178.200000113.7G40 K41 G46G40-A44 VanDerWaalsContact O-CB 3.25Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.5Å; K41-A44 PolarHBondContact O-N 3.38Å; A44-G46 PolarHBondContact O-N 3.28Å
45S76.2Confident68.8Low97 Ų9797 Ų9768%0.67853%0.529SS*.THydrogen-bonded Turntrans-71.3-4.3173.954.50000113.8K41 M42 V43K41-S45 PolarHBondContact O-N 3.02Å; K41-S45 PolarHBondContact O-OG 2.68Å; M42-S45 WeakPolarHBondContact CA-OG 3.33Å; M42-S45 PolarHBondContact O-N 2.97Å; M42-S45 PolarHBondContact O-OG 2.76Å; V43-S45 PolarHBondContact O-N 2.87Å
46G65.2Low67.3Low50 Ų5099.4 Ų99.452%0.51555%0.546SS..  trans81.9113.2-171.800000110.4V43 A44V43-G46 PolarHBondContact O-N 3.05Å; V43-G46 VanDerWaalsContact O-N 3.14Å; A44-G46 PolarHBondContact O-N 3.28Å
47L68.6Low65.9Low56 Ų5698.3 Ų98.329%0.29354%0.54SS..PPolyproline II helixtrans-67.5143.7166.7-70.7165.3000108.1V11 V43 E49V11-L47 HydrophobicContact CG2-CD2 3.72Å; V43-L47 HydrophobicContact CG2-CD1 4.21Å; L47-E49 PolarHBondContact O-N 3.05Å
48T63.6Low65.4Low50 Ų5093.7 Ų93.731%0.30752%0.521SS..PPolyproline II helixtrans-55.4119.4169.4-46.10000107Y4 E7Y4-T48 WeakPolarHBondContact CD2-O 3.41Å; Y4-T48 WeakPolarHBondContact CE2-O 3.28Å; E7-T48 PolarHBondContact OE1-OG1 3.48Å; E7-T48 VanDerWaalsContact OE2-CB 3.31Å; E7-T48 WeakPolarHBondContact OE2-CB 3.49Å; E7-T48 PolarHBondContact OE2-N 3.27Å; E7-T48 PolarHBondContact OE2-OG1 3.4Å
49E57.8Low65.7Low168 Ų16890.6 Ų90.679%0.78550%0.502SS*.PPolyproline II helixtrans-59.7144.8174.8-72.8-175.1165.900108.6L47 V51L47-E49 PolarHBondContact O-N 3.05Å; E49-V51 PolarHBondContact O-N 2.96Å
50K54.8Low66Low140 Ų14092.7 Ų92.761%0.60951%0.509SS*.PPolyproline II helixtrans-56.6123.5163.4-171.7179179.1-176.10104.1Y4 V52Y4-K50 HydrophobicContact CE1-CB 4.38Å; Y4-K50 HydrophobicContact CE1-CG 4.26Å; Y4-K50 VanDerWaalsContact CE2-CA 3.44Å; Y4-K50 HydrophobicContact CE2-CB 3.78Å; Y4-K50 VanDerWaalsContact CE2-N 3.29Å; K50-V52 HydrophobicContact CB-CG2 4.46Å; K50-V52 PolarHBondContact O-N 2.8Å
51V53.5Low66.6Low115 Ų11591 Ų9170%0.69749%0.49SS*.  trans-63.388.7168.5-1760000105.3E49 Q53E49-V51 PolarHBondContact O-N 2.96Å; V51-Q53 HydrophobicContact CG1-CG 3.85Å; V51-Q53 PolarHBondContact O-N 2.84Å
52V48.9Very low67.2Low111 Ų11186.6 Ų86.667%0.67347%0.471SS*.  trans-7391.2162.6-176.60000101.3K50 D54K50-V52 HydrophobicContact CB-CG2 4.46Å; K50-V52 PolarHBondContact O-N 2.8Å; V52-D54 PolarHBondContact O-N 3.45Å
53Q46.7Very low67.9Low134 Ų13488.5 Ų88.563%0.62648%0.482SS*.  trans-59.5103.4162.8-67.5178.3-19.400103.5V51 K55V51-Q53 HydrophobicContact CG1-CG 3.85Å; V51-Q53 PolarHBondContact O-N 2.84Å; Q53-K55 PolarHBondContact O-N 3.23Å
54D41.7Very low68.6Low139 Ų13985.3 Ų85.374%0.74346%0.463SS*.  trans-46.5109.4155-95.8-24.6000103.7V52 V56V52-D54 PolarHBondContact O-N 3.45Å; D54-V56 PolarHBondContact O-N 3.11Å
55K50Low69.5Low190 Ų19082.5 Ų82.583%0.82644%0.442SS*.  trans-70.279.7178.9-79.7-171.7174.9-1710105.2Q53 K57Q53-K55 PolarHBondContact O-N 3.23Å; K55-K57 PolarHBondContact O-N 3.26Å
56V51.3Low70.4Confident95 Ų9586.6 Ų86.658%0.57644%0.444SS*.  trans-54.8108.2165.9-1790000104.1D54 Q58D54-V56 PolarHBondContact O-N 3.11Å; V56-Q58 WeakPolarHBondContact O-CG 3.12Å; V56-Q58 PolarHBondContact O-N 3.16Å
57K57.3Low71.7Confident90 Ų9084.5 Ų84.539%0.39142%0.421SS..  trans-55.3109.9179.2-72.3-164.7-177.4-149.60107.4K55 F59 E233 D237K55-K57 PolarHBondContact O-N 3.26Å; K57-F59 VanDerWaalsContact C-N 3.29Å; K57-F59 PolarHBondContact O-N 3.43Å; K57-E233 WeakPolarHBondContact CE-OE1 3.43Å; K57-E233 IonicContact NZ-OE1 3.22Å; K57-E233 PolarHBondContact NZ-OE1 3.2Å; K57-D237 IonicContact NZ-OD2 3.81Å; K57-D237 PolarHBondContact NZ-OD2 3.3Å
58Q74.8Confident72.9Confident57 Ų5784.7 Ų84.727%0.26643%0.426SS..SBendtrans-80.7-12-169.3-58.6-176.3-3.400112.8V56 R178 Y179 R200V56-Q58 WeakPolarHBondContact O-CG 3.12Å; V56-Q58 PolarHBondContact O-N 3.16Å; Q58-R178 WeakPolarHBondContact CA-O 3.25Å; Q58-Y179 VanDerWaalsContact O-CA 3.28Å; Q58-Y179 WeakPolarHBondContact O-CA 3.41Å; Q58-Y179 VanDerWaalsContact O-CD1 3.23Å; Q58-Y179 WeakPolarHBondContact O-CD1 3.1Å; Q58-R200 VanDerWaalsContact CD-NH1 3.35Å
59F89.8Confident74.3Confident3 Ų386.2 Ų86.21%0.01344%0.436CS..  trans-130.9142.3175.2-65-89.3000108.5K57 Y179 R200 F203 L223 S227 A230 L231 A234K57-F59 VanDerWaalsContact C-N 3.29Å; K57-F59 PolarHBondContact O-N 3.43Å; F59-Y179 HydrophobicContact CB-CE1 4.22Å; F59-Y179 AromaticContact CD1-CD1 3.8Å; F59-Y179 HydrophobicContact CD1-CD1 3.8Å; F59-Y179 AromaticContact CD1-CE1 3.59Å; F59-Y179 HydrophobicContact CD1-CE1 3.59Å; F59-Y179 HydrophobicContact CE1-CD1 4.14Å; F59-Y179 HydrophobicContact CE1-CE1 4.3Å; F59-Y179 HydrophobicContact CG-CD1 4.43Å; F59-Y179 HydrophobicContact CG-CE1 4.23Å; F59-R200 HydrophobicContact CE1-CG 4.4Å; F59-R200 HydrophobicContact CZ-CG 4.03Å; F59-F203 HydrophobicContact CD1-CB 4.06Å; F59-F203 HydrophobicContact CD1-CD1 4.45Å; F59-F203 HydrophobicContact CD1-CD2 4.14Å; F59-F203 AromaticContact CD1-CG 3.98Å; F59-F203 HydrophobicContact CD1-CG 3.98Å; F59-F203 HydrophobicContact CE1-CB 3.99Å; F59-F203 AromaticContact CE1-CD2 3.46Å; F59-F203 HydrophobicContact CE1-CD2 3.46Å; F59-F203 VanDerWaalsContact CE1-CD2 3.46Å; F59-F203 HydrophobicContact CE1-CE2 4.01Å; F59-F203 AromaticContact CE1-CG 3.76Å; F59-F203 HydrophobicContact CE1-CG 3.76Å; F59-F203 HydrophobicContact CZ-CD2 4.44Å; F59-L223 HydrophobicContact CZ-CD1 4.3Å; F59-L223 HydrophobicContact CZ-CD2 4.3Å; F59-S227 WeakPolarHBondContact CE2-O 3.37Å; F59-A230 HydrophobicContact CD2-CB 3.79Å; F59-A230 HydrophobicContact CE2-CB 4.32Å; F59-L231 HydrophobicContact CD1-CD1 4.08Å; F59-L231 HydrophobicContact CD2-CB 4.24Å; F59-L231 HydrophobicContact CE2-CB 4.48Å; F59-L231 HydrophobicContact CG-CB 4.33Å; F59-L231 HydrophobicContact CG-CD1 4.34Å; F59-A234 VanDerWaalsContact C-CB 3.47Å; F59-A234 HydrophobicContact CB-CB 3.46Å; F59-A234 VanDerWaalsContact CB-CB 3.46Å; F59-A234 WeakPolarHBondContact O-CB 3.16Å
60Y91.6Very high75.8Confident64 Ų6481.7 Ų81.725%0.25142%0.422SS..  trans-161.3120.4175.9176.5-99.9000111.9F62 Y179Y60-F62 HydrophobicContact CD1-CD1 4.24Å; Y60-F62 HydrophobicContact CD1-CE1 4.28Å; Y60-F62 HydrophobicContact CD1-CG 4.43Å; Y60-F62 HydrophobicContact CE1-CB 4.36Å; Y60-F62 AromaticContact CE1-CD1 3.57Å; Y60-F62 HydrophobicContact CE1-CD1 3.57Å; Y60-F62 AromaticContact CE1-CE1 3.92Å; Y60-F62 HydrophobicContact CE1-CE1 3.92Å; Y60-F62 AromaticContact CE1-CG 3.94Å; Y60-F62 HydrophobicContact CE1-CG 3.94Å; Y60-Y179 PolarHBondContact N-OH 2.88Å; Y60-Y179 PolarHBondContact O-OH 3.05Å
61F93.9Very high77.8Confident4 Ų475.1 Ų75.12%0.01839%0.393CS..PPolyproline II helixtrans-94.9130.4170.8-58.6-75.8000109.6F203 L206 A207 L214 L231 A234 I235 F238F61-F203 HydrophobicContact CE1-CD1 4.36Å; F61-F203 AromaticContact CZ-CD1 3.98Å; F61-F203 HydrophobicContact CZ-CD1 3.98Å; F61-F203 HydrophobicContact CZ-CE1 4.29Å; F61-L206 HydrophobicContact CE1-CD2 4.31Å; F61-L206 HydrophobicContact CE1-CG 4.48Å; F61-A207 HydrophobicContact CD1-CB 3.99Å; F61-A207 HydrophobicContact CE1-CB 4.46Å; F61-L214 HydrophobicContact CD1-CD1 3.86Å; F61-L214 HydrophobicContact CD1-CD2 4.21Å; F61-L214 HydrophobicContact CD2-CD1 3.87Å; F61-L214 HydrophobicContact CE1-CD1 3.95Å; F61-L214 HydrophobicContact CE1-CD2 4.11Å; F61-L214 HydrophobicContact CE2-CD1 3.96Å; F61-L214 HydrophobicContact CG-CD1 3.82Å; F61-L214 HydrophobicContact CZ-CD1 3.99Å; F61-L231 HydrophobicContact CE2-CD1 4.22Å; F61-L231 HydrophobicContact CZ-CD1 4.28Å; F61-A234 HydrophobicContact CD2-CB 4.24Å; F61-A234 HydrophobicContact CE2-CB 4.27Å; F61-I235 HydrophobicContact CE2-CG1 4.02Å; F61-F238 HydrophobicContact CB-CB 4.13Å; F61-F238 HydrophobicContact CB-CD2 3.48Å; F61-F238 VanDerWaalsContact CB-CD2 3.48Å; F61-F238 HydrophobicContact CB-CE2 4.13Å; F61-F238 HydrophobicContact CB-CG 3.99Å; F61-F238 HydrophobicContact CD2-CB 4.34Å; F61-F238 HydrophobicContact CG-CD2 4.39Å
62F93Very high80Confident51 Ų5169.6 Ų69.622%0.22436%0.36CS..PPolyproline II helixtrans-68.5149.5177.2-60.3-88.5000110.7Y60 P64 I175 A207 R210Y60-F62 HydrophobicContact CD1-CD1 4.24Å; Y60-F62 HydrophobicContact CD1-CE1 4.28Å; Y60-F62 HydrophobicContact CD1-CG 4.43Å; Y60-F62 HydrophobicContact CE1-CB 4.36Å; Y60-F62 AromaticContact CE1-CD1 3.57Å; Y60-F62 HydrophobicContact CE1-CD1 3.57Å; Y60-F62 AromaticContact CE1-CE1 3.92Å; Y60-F62 HydrophobicContact CE1-CE1 3.92Å; Y60-F62 AromaticContact CE1-CG 3.94Å; Y60-F62 HydrophobicContact CE1-CG 3.94Å; F62-P64 WeakPolarHBondContact O-CD 3.37Å; F62-P64 VanDerWaalsContact O-N 3.16Å; F62-I175 HydrophobicContact CE2-CD1 3.63Å; F62-I175 HydrophobicContact CZ-CD1 4.01Å; F62-A207 HydrophobicContact CD2-CB 4.42Å; F62-A207 WeakPolarHBondContact CD2-O 3.33Å; F62-A207 HydrophobicContact CE2-CB 4.4Å; F62-R210 HydrophobicContact CB-CG 4.01Å; F62-R210 HydrophobicContact CD2-CG 4.36Å; F62-R210 HydrophobicContact CG-CG 4.39Å
63D93.4Very high82.3Confident75 Ų7567 Ų6740%0.40134%0.341SS..PPolyproline II helixtrans-52.6120.2167.5172.712.9000109.4G65 R210D63-G65 VanDerWaalsContact C-N 3.29Å; D63-G65 PolarHBondContact OD1-N 3.29Å; D63-R210 PolarHBondContact O-NE 3.3Å; D63-R210 PolarHBondContact O-NH2 3.41Å
64P93.8Very high84.7Confident15 Ų1560.8 Ų60.810%0.09731%0.312CS..  trans-77.2-15.6179.632.3-35.1000113.5F62 P211 H212 F238F62-P64 WeakPolarHBondContact O-CD 3.37Å; F62-P64 VanDerWaalsContact O-N 3.16Å; P64-P211 VanDerWaalsContact CB-O 3.31Å; P64-P211 WeakPolarHBondContact CB-O 3.38Å; P64-H212 HydrophobicContact CB-CB 4.28Å; P64-H212 PolarHBondContact O-NE2 3.19Å; P64-F238 HydrophobicContact CG-CE2 4.08Å; P64-F238 HydrophobicContact CG-CZ 4.44Å
65G93.6Very high87.4Confident29 Ų2957.5 Ų57.530%0.29929%0.292SS..  trans84.6168.5-166.800000112.5D63D63-G65 VanDerWaalsContact C-N 3.29Å; D63-G65 PolarHBondContact OD1-N 3.29Å
66Y94.3Very high89.7Confident182 Ų18253.2 Ų53.271%0.71428%0.275SS*.  trans-83.5138.5-176.1-179-102.8000112.8P68 L98Y66-P68 HydrophobicContact CE1-CB 4.14Å; Y66-L98 HydrophobicContact CD2-CD1 4.33Å
67I94.3Very high91.9Very high6 Ų648.7 Ų48.73%0.03125%0.248CC..  trans-127.9130167.6-67.5-176.1000107.8V71 L98 H133 V136 H212I67-V71 HydrophobicContact CB-CG2 4.34Å; I67-V71 HydrophobicContact CG2-CG1 4.29Å; I67-V71 HydrophobicContact CG2-CG2 3.99Å; I67-L98 HydrophobicContact CB-CD1 4.35Å; I67-H133 HydrophobicContact CG2-CB 3.81Å; I67-H133 WeakPolarHBondContact CG2-ND1 3.17Å; I67-V136 HydrophobicContact CD1-CB 4.13Å; I67-V136 HydrophobicContact CD1-CG2 4.37Å; I67-H212 HydrophobicContact CD1-CB 4.21Å; I67-H212 WeakPolarHBondContact CD1-CD2 3.48Å; I67-H212 VanDerWaalsContact CD1-NE2 3.35Å; I67-H212 WeakPolarHBondContact CD1-NE2 3.42Å
68P92.6Very high93.8Very high61 Ų6145.1 Ų45.140%0.39623%0.234SC..PPolyproline II helixtrans-66.6142.1177.928-34.7000111.5Y66Y66-P68 HydrophobicContact CE1-CB 4.14Å
69P92.4Very high94.9Very high81 Ų8142.9 Ų42.953%0.52622%0.223SC..SBendtrans-68.3155.2173.828.8-33.9000111.8D97P69-D97 WeakPolarHBondContact CB-OD2 3.35Å
70P90.9Very high95.2Very high74 Ų7446 Ų4648%0.48124%0.235SC..PPolyproline II helixcis-77.2132.5-5.731-33.2000111.5M73P70-M73 HydrophobicContact CB-CB 4.25Å; P70-M73 HydrophobicContact CG-CB 4.48Å; P70-M73 HydrophobicContact CG-SD 4.38Å
71V96.7Very high95.3Very high1 Ų149.1 Ų49.11%0.00625%0.247CC..SBendtrans-77.3-48.3-179-177.50000110.6I67 I96 L98 H133 V136 I213I67-V71 HydrophobicContact CB-CG2 4.34Å; I67-V71 HydrophobicContact CG2-CG1 4.29Å; I67-V71 HydrophobicContact CG2-CG2 3.99Å; V71-I96 WeakPolarHBondContact CB-O 3.14Å; V71-L98 HydrophobicContact CG2-CD2 4.29Å; V71-L98 HydrophobicContact CG2-CG 4.13Å; V71-H133 PolarHBondContact O-N 3.22Å; V71-V136 HydrophobicContact CG1-CB 4.08Å; V71-V136 HydrophobicContact CG1-CG2 3.43Å; V71-V136 VanDerWaalsContact CG1-CG2 3.43Å; V71-I213 HydrophobicContact CG1-CD1 4.23Å; V71-I213 HydrophobicContact CG1-CG1 4.28Å
72I98.2Very high95.2Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-133.2128.5169-50.6179.3000107.6I96 I119 I130 R131 R132 I138 I213I72-I96 HydrophobicContact CB-CB 4.15Å; I72-I96 PolarHBondContact N-O 3.38Å; I72-I96 PolarHBondContact O-N 2.99Å; I72-I119 HydrophobicContact CD1-CG2 3.7Å; I72-I119 HydrophobicContact CG2-CD1 4.39Å; I72-I130 HydrophobicContact CG2-CG2 3.86Å; I72-R131 CarbonylContact C-O 3.59Å; I72-R131 VanDerWaalsContact CA-O 3.31Å; I72-R131 WeakPolarHBondContact CA-O 3.3Å; I72-R132 HydrophobicContact CG1-CG 4.21Å; I72-R132 HydrophobicContact CG2-CG 4.1Å; I72-I138 HydrophobicContact CD1-CD1 3.66Å; I72-I138 HydrophobicContact CD1-CG1 4.26Å; I72-I213 HydrophobicContact CD1-CG1 4.21Å
73M97.9Very high95.1Very high57 Ų5752.1 Ų52.128%0.28128%0.277SS..EExtended strand (participates in β ladder)trans-122.1121.1178.3-172.8170.758.700109.2P70 Q75 I130 R131P70-M73 HydrophobicContact CB-CB 4.25Å; P70-M73 HydrophobicContact CG-CB 4.48Å; P70-M73 HydrophobicContact CG-SD 4.38Å; M73-Q75 HydrophobicContact CE-CG 4.22Å; M73-Q75 HydrophobicContact CG-CG 3.83Å; M73-Q75 HydrophobicContact SD-CG 4.31Å; M73-I130 CarbonylContact O-C 3.47Å; M73-I130 WeakPolarHBondContact O-CA 3.33Å; M73-R131 HydrophobicContact CB-CB 4.43Å; M73-R131 PolarHBondContact N-O 3.22Å; M73-R131 PolarHBondContact O-N 2.98Å
74V98Very high95.1Very high3 Ų356.2 Ų56.22%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-103.4118.9178.1179.50000107.6I77 Y92 E93 C94 I119 I130V74-I77 HydrophobicContact CG1-CB 4.08Å; V74-I77 HydrophobicContact CG1-CD1 3.5Å; V74-I77 VanDerWaalsContact CG1-CD1 3.5Å; V74-I77 HydrophobicContact CG1-CG1 3.47Å; V74-I77 VanDerWaalsContact CG1-CG1 3.47Å; V74-I77 HydrophobicContact CG1-CG2 3.52Å; V74-Y92 HydrophobicContact CG1-CD1 4.38Å; V74-E93 VanDerWaalsContact O-CA 3.29Å; V74-E93 WeakPolarHBondContact O-CA 3.25Å; V74-C94 WeakPolarHBondContact CB-O 3.49Å; V74-C94 PolarHBondContact N-O 3Å; V74-C94 PolarHBondContact O-N 3.31Å; V74-C94 VanDerWaalsContact O-N 3.08Å; V74-I119 HydrophobicContact CG2-CD1 3.62Å; V74-I130 HydrophobicContact CG1-CG1 4.41Å; V74-I130 HydrophobicContact CG2-CG1 4.34Å; V74-I130 HydrophobicContact CG2-CG2 4.28Å
75Q97.7Very high95.1Very high70 Ų7057.1 Ų57.133%0.32731%0.305SS..EExtended strand (participates in β ladder)trans-122.3114.2-173.3-55.7-175-81.700110.2M73 I77 G128 L129M73-Q75 HydrophobicContact CE-CG 4.22Å; M73-Q75 HydrophobicContact CG-CG 3.83Å; M73-Q75 HydrophobicContact SD-CG 4.31Å; Q75-I77 PolarHBondContact O-N 3.44Å; Q75-I77 VanDerWaalsContact O-N 3.13Å; Q75-G128 WeakPolarHBondContact O-CA 3.46Å; Q75-L129 PolarHBondContact N-O 3.24Å; Q75-L129 PolarHBondContact O-N 2.86Å
76H97.5Very high95.1Very high100 Ų10060.7 Ų60.746%0.46332%0.323SS..EExtended strand (participates in β ladder)trans48.341.4172.9-58.1-63.6000114.1S78 D91 Y92 E93 G128H76-S78 PolarHBondContact O-N 3.49Å; H76-D91 WeakPolarHBondContact CA-OD1 3.42Å; H76-D91 VanDerWaalsContact CB-OD1 3.3Å; H76-D91 WeakPolarHBondContact CB-OD1 3.3Å; H76-D91 IonicContact CE1-OD1 2.58Å; H76-D91 IonicContact CG-OD1 3.41Å; H76-D91 IonicContact ND1-OD1 3.64Å; H76-D91 PolarHBondContact ND1-OD1 3.4Å; H76-Y92 PolarHBondContact N-O 3.37Å; H76-E93 IonicContact CE1-OE2 2.71Å; H76-E93 PolarHBondContact CE1-OE2 2.93Å; H76-E93 IonicContact NE2-OE2 3.75Å; H76-G128 WeakPolarHBondContact O-CA 3.29Å
77I97.4Very high95.1Very high0 Ų055.5 Ų55.50%030%0.302CS..EExtended strand (participates in β ladder)trans-75.2133.8-174.469.2162.8000111.3V74 Q75 D91 Y92 L118 P125 D127 I130V74-I77 HydrophobicContact CG1-CB 4.08Å; V74-I77 HydrophobicContact CG1-CD1 3.5Å; V74-I77 VanDerWaalsContact CG1-CD1 3.5Å; V74-I77 HydrophobicContact CG1-CG1 3.47Å; V74-I77 VanDerWaalsContact CG1-CG1 3.47Å; V74-I77 HydrophobicContact CG1-CG2 3.52Å; Q75-I77 PolarHBondContact O-N 3.44Å; Q75-I77 VanDerWaalsContact O-N 3.13Å; I77-D91 PolarHBondContact O-N 3.02Å; I77-D91 VanDerWaalsContact O-N 3.1Å; I77-Y92 HydrophobicContact CD1-CD1 4.26Å; I77-Y92 HydrophobicContact CG1-CD1 4.16Å; I77-Y92 WeakPolarHBondContact CG1-O 3.45Å; I77-Y92 PolarHBondContact N-O 3.37Å; I77-Y92 PolarHBondContact O-N 3.47Å; I77-L118 HydrophobicContact CD1-CD1 4.2Å; I77-P125 HydrophobicContact CB-CB 4.31Å; I77-P125 HydrophobicContact CG2-CB 4.29Å; I77-D127 CarbonylContact C-O 3.57Å; I77-D127 VanDerWaalsContact CA-O 3.31Å; I77-D127 WeakPolarHBondContact CA-O 3.48Å; I77-I130 HydrophobicContact CD1-CD1 4.39Å; I77-I130 HydrophobicContact CG2-CD1 4.45Å; I77-I130 HydrophobicContact CG2-CG1 3.82Å
78S97.9Very high95.2Very high15 Ų1556.6 Ų56.611%0.10531%0.308CS..EExtended strand (participates in β ladder)trans-121.6138.6165.2-56.70000108.8H76 Y89 D91 T126 D127H76-S78 PolarHBondContact O-N 3.49Å; S78-Y89 CarbonylContact C-O 3.57Å; S78-Y89 VanDerWaalsContact CA-O 3.3Å; S78-Y89 WeakPolarHBondContact CA-O 3.25Å; S78-D91 PolarHBondContact OG-N 3.4Å; S78-T126 WeakPolarHBondContact O-CA 3.39Å; S78-T126 WeakPolarHBondContact O-CB 3.27Å; S78-T126 PolarHBondContact O-N 2.93Å; S78-D127 PolarHBondContact N-O 3.46Å; S78-D127 PolarHBondContact O-N 3.02Å
79F97.8Very high95.4Very high9 Ų953.7 Ų53.74%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-141.8137.1-178.1-178.3-99000112.5Y81 I88 Y89 T114 L118 L123 L124F79-Y81 HydrophobicContact CE1-CD1 4.13Å; F79-Y81 AromaticContact CE1-CD2 3.86Å; F79-Y81 HydrophobicContact CE1-CD2 3.86Å; F79-Y81 HydrophobicContact CE1-CE1 4.06Å; F79-Y81 AromaticContact CE1-CE2 3.78Å; F79-Y81 HydrophobicContact CE1-CE2 3.78Å; F79-Y81 HydrophobicContact CE1-CG 4.04Å; F79-Y81 AromaticContact CE1-CZ 3.88Å; F79-Y81 AromaticContact CZ-CD1 3.89Å; F79-Y81 HydrophobicContact CZ-CD1 3.89Å; F79-Y81 HydrophobicContact CZ-CD2 4.42Å; F79-Y81 AromaticContact CZ-CE1 3.95Å; F79-Y81 HydrophobicContact CZ-CE1 3.95Å; F79-Y81 HydrophobicContact CZ-CE2 4.46Å; F79-Y81 HydrophobicContact CZ-CG 4.14Å; F79-I88 HydrophobicContact CD1-CB 4.14Å; F79-I88 HydrophobicContact CD1-CG1 4.24Å; F79-I88 PolarHBondContact O-N 2.9Å; F79-Y89 HydrophobicContact CB-CD2 4.34Å; F79-Y89 PolarHBondContact N-O 3.28Å; F79-Y89 PolarHBondContact O-N 3.28Å; F79-T114 HydrophobicContact CD1-CG2 3.47Å; F79-T114 VanDerWaalsContact CD1-CG2 3.47Å; F79-T114 HydrophobicContact CE1-CG2 3.3Å; F79-T114 HydrophobicContact CZ-CG2 4.25Å; F79-L118 HydrophobicContact CB-CD1 3.98Å; F79-L118 HydrophobicContact CD1-CD1 4.34Å; F79-L118 HydrophobicContact CD2-CD1 4.49Å; F79-L118 HydrophobicContact CD2-CD2 3.84Å; F79-L118 HydrophobicContact CE2-CD2 4.27Å; F79-L118 HydrophobicContact CG-CD1 4Å; F79-L118 HydrophobicContact CG-CD2 4.18Å; F79-L123 HydrophobicContact CE1-CD1 4.24Å; F79-L123 HydrophobicContact CE2-CB 4.34Å; F79-L123 HydrophobicContact CE2-CD1 4.46Å; F79-L123 HydrophobicContact CZ-CB 4.48Å; F79-L123 HydrophobicContact CZ-CD1 3.8Å; F79-L123 HydrophobicContact CZ-CD2 4.43Å; F79-L123 HydrophobicContact CZ-CG 4.47Å; F79-L124 WeakPolarHBondContact CD2-O 3.34Å; F79-L124 VanDerWaalsContact CE2-O 3.31Å; F79-L124 WeakPolarHBondContact CE2-O 3.44Å
80R96.4Very high95.6Very high69 Ų6955 Ų5526%0.2629%0.286SS..  trans-148.2149.1167.663.9-176.6177.6170.53109.1G82 P83 S85 W87 T126R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 VanDerWaalsContact CD-O 3.28Å; R80-G82 WeakPolarHBondContact CD-O 3.49Å; R80-G82 WeakPolarHBondContact CG-O 3.44Å; R80-G82 PolarHBondContact O-N 3.23Å; R80-P83 PolarHBondContact NH1-O 3.06Å; R80-P83 PolarHBondContact NH2-O 2.77Å; R80-S85 WeakPolarHBondContact CB-OG 3.22Å; R80-W87 HydrophobicContact CB-CD2 4.39Å; R80-W87 HydrophobicContact CB-CE3 4.01Å; R80-W87 HydrophobicContact CB-CZ3 4.4Å; R80-W87 HydrophobicContact CG-CD2 4.49Å; R80-W87 HydrophobicContact CG-CE3 4.07Å; R80-W87 HydrophobicContact CG-CH2 4.37Å; R80-W87 HydrophobicContact CG-CZ3 3.99Å; R80-T126 HydrophobicContact CG-CG2 4.33Å; R80-T126 PolarHBondContact N-OG1 3.32Å; R80-T126 VanDerWaalsContact N-OG1 3.09Å; R80-T126 PolarHBondContact O-OG1 3.41Å
81Y94Very high95.9Very high129 Ų12956.4 Ų56.451%0.50629%0.29SS..SBendtrans-71.6-20.6-176.3-79.2-79.4000113.9F79 S85 I88 T114 L123F79-Y81 HydrophobicContact CE1-CD1 4.13Å; F79-Y81 AromaticContact CE1-CD2 3.86Å; F79-Y81 HydrophobicContact CE1-CD2 3.86Å; F79-Y81 HydrophobicContact CE1-CE1 4.06Å; F79-Y81 AromaticContact CE1-CE2 3.78Å; F79-Y81 HydrophobicContact CE1-CE2 3.78Å; F79-Y81 HydrophobicContact CE1-CG 4.04Å; F79-Y81 AromaticContact CE1-CZ 3.88Å; F79-Y81 AromaticContact CZ-CD1 3.89Å; F79-Y81 HydrophobicContact CZ-CD1 3.89Å; F79-Y81 HydrophobicContact CZ-CD2 4.42Å; F79-Y81 AromaticContact CZ-CE1 3.95Å; F79-Y81 HydrophobicContact CZ-CE1 3.95Å; F79-Y81 HydrophobicContact CZ-CE2 4.46Å; F79-Y81 HydrophobicContact CZ-CG 4.14Å; Y81-S85 PolarHBondContact N-OG 2.99Å; Y81-S85 VanDerWaalsContact N-OG 3.17Å; Y81-I88 HydrophobicContact CD2-CG1 4.27Å; Y81-I88 HydrophobicContact CE2-CG1 4.31Å; Y81-T114 HydrophobicContact CE2-CG2 4.12Å; Y81-T114 PolarHBondContact OH-OG1 3.34Å; Y81-L123 HydrophobicContact CE1-CD1 3.91Å; Y81-L123 HydrophobicContact CE1-CD2 4.41Å
82G92.1Very high95.9Very high23 Ų2357.1 Ų57.124%0.23729%0.292CS..SBendtrans-162167.9178.400000112.8R80 N84 S85R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 VanDerWaalsContact CD-O 3.28Å; R80-G82 WeakPolarHBondContact CD-O 3.49Å; R80-G82 WeakPolarHBondContact CG-O 3.44Å; R80-G82 PolarHBondContact O-N 3.23Å; G82-N84 PolarHBondContact O-N 3.36Å; G82-S85 PolarHBondContact N-OG 2.92Å; G82-S85 PolarHBondContact O-N 3Å; G82-S85 PolarHBondContact O-OG 2.89Å
83P90.6Very high95.8Very high96 Ų9662.9 Ų62.962%0.62332%0.319SS*.THydrogen-bonded Turntrans-61.8-28.5-172.523.2-33.7000113.9R80R80-P83 PolarHBondContact NH1-O 3.06Å; R80-P83 PolarHBondContact NH2-O 2.77Å
84N92.5Very high95.7Very high161 Ų16161.2 Ų61.286%0.86131%0.313SS*.THydrogen-bonded Turntrans-106.3-0.3178.3-62.5-19.8000113G82G82-N84 PolarHBondContact O-N 3.36Å
85S93.6Very high95.6Very high34 Ų3462.7 Ų62.724%0.23833%0.329CS..SBendtrans-76.8148.9176.270.40000110.3R80 Y81 G82R80-S85 WeakPolarHBondContact CB-OG 3.22Å; Y81-S85 PolarHBondContact N-OG 2.99Å; Y81-S85 VanDerWaalsContact N-OG 3.17Å; G82-S85 PolarHBondContact N-OG 2.92Å; G82-S85 PolarHBondContact O-N 3Å; G82-S85 PolarHBondContact O-OG 2.89Å
86P94.3Very high95.6Very high103 Ų10359.4 Ų59.467%0.66931%0.314SS*.PPolyproline II helixtrans-58.6149.6173.426.6-34.6000110
87W94.7Very high95.5Very high74 Ų7456.6 Ų56.628%0.2830%0.302SS..PPolyproline II helixtrans-59.8143.5170.5-66.793.1000109.6R80 K90 T126 N265R80-W87 HydrophobicContact CB-CD2 4.39Å; R80-W87 HydrophobicContact CB-CE3 4.01Å; R80-W87 HydrophobicContact CB-CZ3 4.4Å; R80-W87 HydrophobicContact CG-CD2 4.49Å; R80-W87 HydrophobicContact CG-CE3 4.07Å; R80-W87 HydrophobicContact CG-CH2 4.37Å; R80-W87 HydrophobicContact CG-CZ3 3.99Å; W87-K90 HydrophobicContact CB-CD 4.28Å; W87-K90 HydrophobicContact CB-CG 3.8Å; W87-K90 HydrophobicContact CD2-CG 4.04Å; W87-K90 HydrophobicContact CE3-CG 4.35Å; W87-K90 HydrophobicContact CG-CD 4.11Å; W87-K90 HydrophobicContact CG-CG 3.82Å; W87-T126 HydrophobicContact CH2-CG2 4.13Å; W87-T126 HydrophobicContact CZ3-CG2 4.16Å; W87-N265 PolarHBondContact O-ND2 3.42Å
88I96.1Very high95.5Very high29 Ų2957.7 Ų57.715%0.14931%0.308CS..SBendtrans-101.2-41.7168.1-55.9-60.3000108.8F79 Y81 T114 N265F79-I88 HydrophobicContact CD1-CB 4.14Å; F79-I88 HydrophobicContact CD1-CG1 4.24Å; F79-I88 PolarHBondContact O-N 2.9Å; Y81-I88 HydrophobicContact CD2-CG1 4.27Å; Y81-I88 HydrophobicContact CE2-CG1 4.31Å; I88-T114 HydrophobicContact CG2-CG2 4.28Å; I88-N265 VanDerWaalsContact O-CA 3.25Å; I88-N265 WeakPolarHBondContact O-CA 3.44Å
89Y97.5Very high95.3Very high0 Ų062.3 Ų62.30%034%0.336CS..EExtended strand (participates in β ladder)trans-130.6144.8172.3-60.5-59.7000110.8S78 F79 G111 F115 L118 C262 N265 I267S78-Y89 CarbonylContact C-O 3.57Å; S78-Y89 VanDerWaalsContact CA-O 3.3Å; S78-Y89 WeakPolarHBondContact CA-O 3.25Å; F79-Y89 HydrophobicContact CB-CD2 4.34Å; F79-Y89 PolarHBondContact N-O 3.28Å; F79-Y89 PolarHBondContact O-N 3.28Å; Y89-G111 WeakPolarHBondContact OH-CA 3.27Å; Y89-G111 PolarHBondContact OH-O 2.99Å; Y89-F115 HydrophobicContact CE2-CB 3.99Å; Y89-F115 HydrophobicContact CE2-CD2 4.46Å; Y89-F115 WeakPolarHBondContact OH-CB 3.34Å; Y89-L118 HydrophobicContact CD2-CD1 3.89Å; Y89-L118 HydrophobicContact CE2-CD1 4.1Å; Y89-C262 PolarHBondContact OH-SG 2.91Å; Y89-N265 CarbonylContact C-O 3.56Å; Y89-N265 VanDerWaalsContact CA-O 3.27Å; Y89-N265 WeakPolarHBondContact CA-O 3.39Å; Y89-I267 HydrophobicContact CD1-CG1 4.43Å; Y89-I267 HydrophobicContact CE1-CD1 3.82Å; Y89-I267 HydrophobicContact CE1-CG1 3.68Å
90K96.4Very high95.2Very high108 Ų10862.7 Ų62.747%0.4734%0.339SS..EExtended strand (participates in β ladder)trans-132.9125.3170.1-71.4-172.8175.8-177.40109.6W87 Y92 N265W87-K90 HydrophobicContact CB-CD 4.28Å; W87-K90 HydrophobicContact CB-CG 3.8Å; W87-K90 HydrophobicContact CD2-CG 4.04Å; W87-K90 HydrophobicContact CE3-CG 4.35Å; W87-K90 HydrophobicContact CG-CD 4.11Å; W87-K90 HydrophobicContact CG-CG 3.82Å; K90-Y92 VanDerWaalsContact C-N 3.33Å; K90-Y92 PolarHBondContact O-N 2.9Å; K90-N265 HydrophobicContact CG-CB 4.37Å; K90-N265 PolarHBondContact N-O 3.32Å
91D95.9Very high95.3Very high103 Ų10360.6 Ų60.655%0.55133%0.331SS*.EExtended strand (participates in β ladder)trans4651.9173.5-167.424.8000113.7H76 I77 S78H76-D91 WeakPolarHBondContact CA-OD1 3.42Å; H76-D91 VanDerWaalsContact CB-OD1 3.3Å; H76-D91 WeakPolarHBondContact CB-OD1 3.3Å; H76-D91 IonicContact CE1-OD1 2.58Å; H76-D91 IonicContact CG-OD1 3.41Å; H76-D91 IonicContact ND1-OD1 3.64Å; H76-D91 PolarHBondContact ND1-OD1 3.4Å; I77-D91 PolarHBondContact O-N 3.02Å; I77-D91 VanDerWaalsContact O-N 3.1Å; S78-D91 PolarHBondContact OG-N 3.4Å
92Y96.6Very high95.5Very high16 Ų1654.6 Ų54.66%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-98.8139.1-178.6176.7-115.3000112V74 H76 I77 K90 C94 F115 I267V74-Y92 HydrophobicContact CG1-CD1 4.38Å; H76-Y92 PolarHBondContact N-O 3.37Å; I77-Y92 HydrophobicContact CD1-CD1 4.26Å; I77-Y92 HydrophobicContact CG1-CD1 4.16Å; I77-Y92 WeakPolarHBondContact CG1-O 3.45Å; I77-Y92 PolarHBondContact N-O 3.37Å; I77-Y92 PolarHBondContact O-N 3.47Å; K90-Y92 VanDerWaalsContact C-N 3.33Å; K90-Y92 PolarHBondContact O-N 2.9Å; Y92-C94 HydrophobicContact CE1-CB 4.16Å; Y92-C94 VanDerWaalsContact CE1-SG 3.58Å; Y92-C94 WeakPolarHBondContact OH-CB 3.34Å; Y92-F115 HydrophobicContact CD1-CE2 4.17Å; Y92-F115 HydrophobicContact CE1-CD2 4.4Å; Y92-F115 AromaticContact CE1-CE2 3.61Å; Y92-F115 HydrophobicContact CE1-CE2 3.61Å; Y92-F115 AromaticContact CE1-CZ 3.95Å; Y92-F115 HydrophobicContact CE1-CZ 3.95Å; Y92-I267 HydrophobicContact CD1-CD1 4.42Å; Y92-I267 HydrophobicContact CD2-CB 4.34Å; Y92-I267 HydrophobicContact CE1-CB 4.15Å; Y92-I267 HydrophobicContact CE1-CD1 3.86Å; Y92-I267 HydrophobicContact CE1-CG1 4.43Å; Y92-I267 HydrophobicContact CE2-CB 3.73Å; Y92-I267 HydrophobicContact CE2-CG2 4.49Å; Y92-I267 WeakPolarHBondContact CE2-O 3.46Å
93E96.2Very high95.7Very high121 Ų12153.5 Ų53.557%0.56530%0.296SS*.EExtended strand (participates in β ladder)trans-132.9142.6178.560.9177.7-161.300111.8V74 H76V74-E93 VanDerWaalsContact O-CA 3.29Å; V74-E93 WeakPolarHBondContact O-CA 3.25Å; H76-E93 IonicContact CE1-OE2 2.71Å; H76-E93 PolarHBondContact CE1-OE2 2.93Å; H76-E93 IonicContact NE2-OE2 3.75Å
94C96.4Very high96Very high22 Ų2249 Ų4915%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-164.4162.417163.60000112.1V74 Y92 W260V74-C94 WeakPolarHBondContact CB-O 3.49Å; V74-C94 PolarHBondContact N-O 3Å; V74-C94 PolarHBondContact O-N 3.31Å; V74-C94 VanDerWaalsContact O-N 3.08Å; Y92-C94 HydrophobicContact CE1-CB 4.16Å; Y92-C94 VanDerWaalsContact CE1-SG 3.58Å; Y92-C94 WeakPolarHBondContact OH-CB 3.34Å; C94-W260 HydrophobicContact CB-CH2 4Å; C94-W260 HydrophobicContact CB-CZ3 4.25Å
95G95.9Very high96.2Very high35 Ų3541.9 Ų41.936%0.36123%0.229SC..EExtended strand (participates in β ladder)trans-109.3142.216700000111
96I97.6Very high96.1Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-125.9130.3169-54.5162.3000107.7V71 I72 T100 I119 I213 L243V71-I96 WeakPolarHBondContact CB-O 3.14Å; I72-I96 HydrophobicContact CB-CB 4.15Å; I72-I96 PolarHBondContact N-O 3.38Å; I72-I96 PolarHBondContact O-N 2.99Å; I96-T100 HydrophobicContact CG2-CG2 4.15Å; I96-I119 HydrophobicContact CD1-CD1 3.62Å; I96-I119 HydrophobicContact CD1-CG1 3.86Å; I96-I119 HydrophobicContact CD1-CG2 3.96Å; I96-I213 HydrophobicContact CG2-CD1 4.01Å; I96-I213 HydrophobicContact CG2-CG2 4.28Å; I96-L243 HydrophobicContact CD1-CD1 3.79Å; I96-L243 HydrophobicContact CD1-CG 4.49Å
97D96.5Very high95.9Very high42 Ų4238.8 Ų38.823%0.22521%0.21CC..  trans-136.3172.8-168.7-57.360.9000108.9P69 T99 T100 G241P69-D97 WeakPolarHBondContact CB-OD2 3.35Å; D97-T99 PolarHBondContact O-N 3.22Å; D97-T100 PolarHBondContact N-OG1 2.99Å; D97-T100 WeakPolarHBondContact O-CB 3.39Å; D97-T100 PolarHBondContact O-N 2.91Å; D97-T100 VanDerWaalsContact O-N 3.1Å; D97-T100 PolarHBondContact O-OG1 3.06Å; D97-G241 VanDerWaalsContact O-CA 3.29Å; D97-G241 WeakPolarHBondContact O-CA 3.47Å
98L95.9Very high95.6Very high22 Ų2241.7 Ų41.712%0.11523%0.231CC..THydrogen-bonded Turntrans-64.6-22.5178.8-58.6-174.2000113Y66 I67 V71 R101 H212 I213 G240 G241Y66-L98 HydrophobicContact CD2-CD1 4.33Å; I67-L98 HydrophobicContact CB-CD1 4.35Å; V71-L98 HydrophobicContact CG2-CD2 4.29Å; V71-L98 HydrophobicContact CG2-CG 4.13Å; L98-R101 PolarHBondContact O-NH1 3.49Å; L98-H212 HydrophobicContact CD2-CB 3.91Å; L98-I213 HydrophobicContact CD2-CD1 4.25Å; L98-G240 CarbonylContact O-C 3.33Å; L98-G241 WeakPolarHBondContact O-CA 3.37Å; L98-G241 PolarHBondContact O-N 2.92Å; L98-G241 VanDerWaalsContact O-N 3.12Å
99T94.5Very high95.3Very high112 Ų11243.9 Ų43.969%0.68726%0.261SS*.THydrogen-bonded Turntrans-87.7-9.3177.4550000113.7D97 R101D97-T99 PolarHBondContact O-N 3.22Å; T99-R101 PolarHBondContact O-N 3.3Å
100T96.8Very high95Very high17 Ų1744.8 Ų44.810%0.10427%0.268CS..  trans-64.5127.1-178.2-57.70000110I96 D97 V102 G241 M242 L243I96-T100 HydrophobicContact CG2-CG2 4.15Å; D97-T100 PolarHBondContact N-OG1 2.99Å; D97-T100 WeakPolarHBondContact O-CB 3.39Å; D97-T100 PolarHBondContact O-N 2.91Å; D97-T100 VanDerWaalsContact O-N 3.1Å; D97-T100 PolarHBondContact O-OG1 3.06Å; T100-V102 HydrophobicContact CG2-CB 4.27Å; T100-V102 HydrophobicContact CG2-CG2 3.53Å; T100-G241 CarbonylContact O-C 3.35Å; T100-G241 WeakPolarHBondContact O-CA 3.34Å; T100-M242 PolarHBondContact O-N 3.25Å; T100-L243 HydrophobicContact CG2-CD2 4.18Å
101R97.1Very high94.9Very high26 Ų2639.9 Ų39.910%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-136.585.8175.3-65.6-65.2-179.8-70.5-2.7108.4L98 T99 F238 G240 K257 E258L98-R101 PolarHBondContact O-NH1 3.49Å; T99-R101 PolarHBondContact O-N 3.3Å; R101-F238 PolarHBondContact NH2-O 3.32Å; R101-G240 PolarHBondContact NH1-O 2.8Å; R101-G240 PolarHBondContact NH2-O 3.49Å; R101-K257 HydrophobicContact CB-CB 3.98Å; R101-K257 HydrophobicContact CB-CD 4.02Å; R101-K257 HydrophobicContact CB-CG 3.79Å; R101-K257 HydrophobicContact CG-CD 4.11Å; R101-K257 HydrophobicContact CG-CG 4.29Å; R101-K257 PolarHBondContact O-N 2.82Å; R101-E258 PolarHBondContact O-N 3.14Å
102V97.6Very high94.8Very high2 Ų235.9 Ų35.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-118.4136.6-169.8167.50000110T100 L104 M242 L243 L244 E258 W260T100-V102 HydrophobicContact CG2-CB 4.27Å; T100-V102 HydrophobicContact CG2-CG2 3.53Å; V102-L104 HydrophobicContact CG1-CG 4.44Å; V102-M242 PolarHBondContact N-O 3.05Å; V102-L243 HydrophobicContact CB-CD2 3.71Å; V102-L243 HydrophobicContact CG1-CD2 4.09Å; V102-L243 HydrophobicContact CG2-CD2 4.37Å; V102-L243 CarbonylContact O-C 3.57Å; V102-L243 WeakPolarHBondContact O-CA 3.34Å; V102-L244 PolarHBondContact O-N 3.26Å; V102-E258 CarbonylContact C-O 3.44Å; V102-E258 WeakPolarHBondContact CA-O 3.33Å; V102-E258 HydrophobicContact CG2-CB 4.07Å; V102-W260 HydrophobicContact CB-CD2 4.33Å; V102-W260 HydrophobicContact CG1-CB 3.75Å; V102-W260 HydrophobicContact CG1-CD2 3.37Å; V102-W260 HydrophobicContact CG1-CE3 3.74Å; V102-W260 HydrophobicContact CG1-CG 3.38Å; V102-W260 HydrophobicContact CG1-CZ2 4.49Å; V102-W260 HydrophobicContact CG1-CZ3 4.43Å; V102-W260 HydrophobicContact CG2-CD2 4.01Å; V102-W260 VanDerWaalsContact CG2-CE2 3.5Å; V102-W260 HydrophobicContact CG2-CG 4.44Å; V102-W260 HydrophobicContact CG2-CH2 4.24Å; V102-W260 HydrophobicContact CG2-CZ2 3.64Å
103A97.9Very high94.7Very high0 Ų037.7 Ų37.70%024%0.239CC..EExtended strand (participates in β ladder)trans-103.9128.5161.200000111.3L244 V252 A256 E258 I259 W260A103-L244 CarbonylContact C-O 3.45Å; A103-L244 WeakPolarHBondContact CA-O 3.01Å; A103-L244 HydrophobicContact CB-CB 4.44Å; A103-V252 HydrophobicContact CB-CB 4.47Å; A103-V252 HydrophobicContact CB-CG1 3.54Å; A103-V252 HydrophobicContact CB-CG2 4.22Å; A103-A256 HydrophobicContact CB-CB 3.63Å; A103-E258 PolarHBondContact N-O 2.9Å; A103-I259 HydrophobicContact CB-CD1 3.84Å; A103-I259 CarbonylContact O-C 3.57Å; A103-I259 WeakPolarHBondContact O-CA 3.14Å; A103-W260 PolarHBondContact O-N 3.02Å
104L97Very high94.7Very high2 Ų232.6 Ų32.61%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-91116.3175.8-73.4161.9000109.5V102 F115 L116 L243 L244 V245 W260 I267V102-L104 HydrophobicContact CG1-CG 4.44Å; L104-F115 HydrophobicContact CD1-CD1 3.7Å; L104-F115 HydrophobicContact CD1-CE1 4.25Å; L104-F115 HydrophobicContact CD2-CD1 4.27Å; L104-L116 HydrophobicContact CD1-CD2 3.95Å; L104-L243 HydrophobicContact CD1-CB 4.47Å; L104-L243 HydrophobicContact CD1-CD1 4.46Å; L104-L244 PolarHBondContact N-O 3.14Å; L104-V245 HydrophobicContact CB-CG2 3.81Å; L104-V245 HydrophobicContact CD1-CG2 4.06Å; L104-W260 CarbonylContact C-O 3.59Å; L104-W260 WeakPolarHBondContact CA-O 3.36Å; L104-W260 HydrophobicContact CD2-CB 3.83Å; L104-W260 HydrophobicContact CD2-CE3 4.12Å; L104-I267 HydrophobicContact CD2-CD1 4.22Å; L104-I267 HydrophobicContact CD2-CG2 4.03Å
105V95.2Very high94.7Very high11 Ų1131.5 Ų31.57%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-118.5163.8178.4-590000110.4I259 W260 L261 C262 I274 Y277V105-I259 HydrophobicContact CB-CG2 4.4Å; V105-I259 HydrophobicContact CG1-CG2 4.01Å; V105-I259 HydrophobicContact CG2-CG2 3.46Å; V105-I259 VanDerWaalsContact CG2-CG2 3.46Å; V105-W260 PolarHBondContact N-O 3.49Å; V105-L261 HydrophobicContact CG2-CB 4.39Å; V105-L261 HydrophobicContact CG2-CD1 4.16Å; V105-L261 WeakPolarHBondContact O-CA 3.44Å; V105-C262 WeakPolarHBondContact O-CB 3.49Å; V105-C262 PolarHBondContact O-N 3.1Å; V105-I274 HydrophobicContact CG1-CD1 3.84Å; V105-Y277 HydrophobicContact CB-CD1 4.25Å; V105-Y277 HydrophobicContact CB-CE1 3.73Å; V105-Y277 HydrophobicContact CG1-CD1 4.44Å; V105-Y277 HydrophobicContact CG1-CE1 4.29Å; V105-Y277 HydrophobicContact CG2-CD1 4.09Å; V105-Y277 HydrophobicContact CG2-CD2 4.17Å; V105-Y277 HydrophobicContact CG2-CE1 3.83Å; V105-Y277 HydrophobicContact CG2-CE2 3.92Å; V105-Y277 HydrophobicContact CG2-CG 4.25Å
106G92.4Very high94.8Very high8 Ų829.9 Ų29.98%0.08219%0.192CC..  trans144172.6178.100000112.5K112 Y277G106-K112 PolarHBondContact O-NZ 3.21Å; G106-Y277 WeakPolarHBondContact CA-OH 3.28Å; G106-Y277 PolarHBondContact N-OH 2.66Å
107P90.2Very high94.7Very high65 Ų6532.9 Ų32.942%0.42221%0.205SC..  trans-62.4162.8-177.819.5-25.2000112.9A110 K112P107-A110 HydrophobicContact CG-CB 3.96Å; P107-A110 WeakPolarHBondContact O-CB 3.19Å; P107-A110 PolarHBondContact O-N 3.21Å; P107-K112 PolarHBondContact O-NZ 2.79Å
108N89.2Confident94.7Very high134 Ų13430.9 Ų30.972%0.71719%0.194SC*.THydrogen-bonded Turntrans-66.5138.2174.4-72.3-10.5000109.9A110N108-A110 PolarHBondContact O-N 2.81Å
109G87.9Confident94.8Very high75 Ų7529.9 Ų29.977%0.77319%0.189SC*.THydrogen-bonded Turntrans77.6-1.4-174.100000115.3G111G109-G111 PolarHBondContact O-N 2.71Å; G109-G111 VanDerWaalsContact O-N 3.14Å
110A91.5Very high94.8Very high20 Ų2026.1 Ų26.117%0.16517%0.167CC..SBendtrans-66.2-15.7-179.700000114.6P107 N108 C262P107-A110 HydrophobicContact CG-CB 3.96Å; P107-A110 WeakPolarHBondContact O-CB 3.19Å; P107-A110 PolarHBondContact O-N 3.21Å; N108-A110 PolarHBondContact O-N 2.81Å; A110-C262 HydrophobicContact CB-CB 4.47Å; A110-C262 VanDerWaalsContact CB-O 3.22Å; A110-C262 WeakPolarHBondContact CB-O 3.33Å; A110-C262 PolarHBondContact O-SG 2.88Å
111G94.2Very high94.7Very high5 Ų527.1 Ų27.15%0.05218%0.181CC..SBendtrans117.4-1.8177.200000115.8Y89 G109 T113 T114 F115Y89-G111 WeakPolarHBondContact OH-CA 3.27Å; Y89-G111 PolarHBondContact OH-O 2.99Å; G109-G111 PolarHBondContact O-N 2.71Å; G109-G111 VanDerWaalsContact O-N 3.14Å; G111-T113 PolarHBondContact O-N 3.21Å; G111-T114 CarbonylContact O-C 3.59Å; G111-T114 VanDerWaalsContact O-CA 3.26Å; G111-T114 WeakPolarHBondContact O-CA 3.32Å; G111-T114 WeakPolarHBondContact O-CB 3.23Å; G111-T114 PolarHBondContact O-N 2.72Å; G111-F115 PolarHBondContact O-N 3.23Å
112K95.4Very high94.6Very high18 Ų1831.2 Ų31.28%0.07820%0.201CC..Hα-helixtrans-44.3-58.3-177.1-56.9-174.3-63.9-84.10114.1G106 P107 T114 F115 L116 V245 C262G106-K112 PolarHBondContact O-NZ 3.21Å; P107-K112 PolarHBondContact O-NZ 2.79Å; K112-T114 VanDerWaalsContact C-N 3.32Å; K112-T114 PolarHBondContact O-N 2.91Å; K112-F115 WeakPolarHBondContact O-CB 3.35Å; K112-F115 PolarHBondContact O-N 3.46Å; K112-L116 PolarHBondContact O-N 2.92Å; K112-V245 HydrophobicContact CB-CG1 4.14Å; K112-V245 HydrophobicContact CB-CG2 3.97Å; K112-V245 HydrophobicContact CD-CG1 4.06Å; K112-C262 HydrophobicContact CG-CB 3.96Å
113T93.8Very high94.5Very high55 Ų5533 Ų3334%0.33721%0.21SC..Hα-helixtrans-65-34.3176-55.40000112.5G111 F115 L116 K117 D217G111-T113 PolarHBondContact O-N 3.21Å; T113-F115 VanDerWaalsContact C-N 3.32Å; T113-F115 PolarHBondContact O-N 3.16Å; T113-L116 PolarHBondContact O-N 3.4Å; T113-K117 WeakPolarHBondContact O-CG 3.31Å; T113-K117 PolarHBondContact O-N 3.4Å; T113-D217 WeakPolarHBondContact CB-OD2 3.38Å; T113-D217 VanDerWaalsContact CG2-OD2 3.26Å; T113-D217 WeakPolarHBondContact CG2-OD2 3Å; T113-D217 PolarHBondContact OG1-OD2 2.84Å
114T95.4Very high94.5Very high13 Ų1339.7 Ų39.78%0.0825%0.245CC..Hα-helixtrans-61.2-41.3174.1-53.90000111F79 Y81 I88 G111 K112 K117 L118 L123F79-T114 HydrophobicContact CD1-CG2 3.47Å; F79-T114 VanDerWaalsContact CD1-CG2 3.47Å; F79-T114 HydrophobicContact CE1-CG2 3.3Å; F79-T114 HydrophobicContact CZ-CG2 4.25Å; Y81-T114 HydrophobicContact CE2-CG2 4.12Å; Y81-T114 PolarHBondContact OH-OG1 3.34Å; I88-T114 HydrophobicContact CG2-CG2 4.28Å; G111-T114 CarbonylContact O-C 3.59Å; G111-T114 VanDerWaalsContact O-CA 3.26Å; G111-T114 WeakPolarHBondContact O-CA 3.32Å; G111-T114 WeakPolarHBondContact O-CB 3.23Å; G111-T114 PolarHBondContact O-N 2.72Å; K112-T114 VanDerWaalsContact C-N 3.32Å; K112-T114 PolarHBondContact O-N 2.91Å; T114-K117 WeakPolarHBondContact O-CB 3.28Å; T114-K117 PolarHBondContact O-N 3.36Å; T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.17Å; T114-L123 HydrophobicContact CG2-CD1 3.99Å
115F97.3Very high94.5Very high0 Ų041.1 Ų41.10%026%0.255CS..Hα-helixtrans-63.7-44.7175.2-176-114.6000111.7Y89 Y92 L104 G111 K112 T113 K117 L118 I119 L243 W260 I267Y89-F115 HydrophobicContact CE2-CB 3.99Å; Y89-F115 HydrophobicContact CE2-CD2 4.46Å; Y89-F115 WeakPolarHBondContact OH-CB 3.34Å; Y92-F115 HydrophobicContact CD1-CE2 4.17Å; Y92-F115 HydrophobicContact CE1-CD2 4.4Å; Y92-F115 AromaticContact CE1-CE2 3.61Å; Y92-F115 HydrophobicContact CE1-CE2 3.61Å; Y92-F115 AromaticContact CE1-CZ 3.95Å; Y92-F115 HydrophobicContact CE1-CZ 3.95Å; L104-F115 HydrophobicContact CD1-CD1 3.7Å; L104-F115 HydrophobicContact CD1-CE1 4.25Å; L104-F115 HydrophobicContact CD2-CD1 4.27Å; G111-F115 PolarHBondContact O-N 3.23Å; K112-F115 WeakPolarHBondContact O-CB 3.35Å; K112-F115 PolarHBondContact O-N 3.46Å; T113-F115 VanDerWaalsContact C-N 3.32Å; T113-F115 PolarHBondContact O-N 3.16Å; F115-K117 VanDerWaalsContact C-N 3.26Å; F115-K117 PolarHBondContact O-N 3.01Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 PolarHBondContact O-N 3.15Å; F115-L118 VanDerWaalsContact O-N 3.1Å; F115-I119 HydrophobicContact CD1-CG1 4.21Å; F115-I119 HydrophobicContact CD2-CG1 4.35Å; F115-I119 HydrophobicContact CE1-CD1 4.34Å; F115-I119 HydrophobicContact CE1-CG1 3.89Å; F115-I119 HydrophobicContact CE2-CD1 3.81Å; F115-I119 HydrophobicContact CE2-CG1 4Å; F115-I119 HydrophobicContact CG-CG1 4.44Å; F115-I119 HydrophobicContact CZ-CD1 3.71Å; F115-I119 HydrophobicContact CZ-CG1 3.77Å; F115-I119 WeakPolarHBondContact O-CG1 3.15Å; F115-I119 PolarHBondContact O-N 3.27Å; F115-L243 HydrophobicContact CD1-CD1 4.3Å; F115-L243 HydrophobicContact CE1-CD1 3.79Å; F115-W260 HydrophobicContact CE1-CZ3 4.33Å; F115-W260 HydrophobicContact CZ-CZ3 4.41Å; F115-I267 HydrophobicContact CB-CD1 4.09Å; F115-I267 HydrophobicContact CD1-CD1 3.86Å; F115-I267 HydrophobicContact CD2-CD1 3.67Å; F115-I267 HydrophobicContact CE1-CD1 4.15Å; F115-I267 HydrophobicContact CE2-CD1 4Å; F115-I267 HydrophobicContact CG-CD1 3.59Å; F115-I267 HydrophobicContact CZ-CD1 4.21Å
116L97Very high94.6Very high0 Ų043.9 Ų43.90%027%0.272CS..Hα-helixtrans-59.1-38.1174.6-60.5-175.4000112.4L104 K112 T113 I119 S120 L215 D217 L243 V245L104-L116 HydrophobicContact CD1-CD2 3.95Å; K112-L116 PolarHBondContact O-N 2.92Å; T113-L116 PolarHBondContact O-N 3.4Å; L116-I119 PolarHBondContact O-N 3.45Å; L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.88Å; L116-S120 PolarHBondContact O-OG 3.4Å; L116-L215 HydrophobicContact CB-CD1 4.49Å; L116-L215 HydrophobicContact CD2-CB 4.25Å; L116-L215 HydrophobicContact CD2-CD2 4.09Å; L116-D217 HydrophobicContact CD1-CB 3.72Å; L116-L243 HydrophobicContact CD2-CB 3.92Å; L116-L243 HydrophobicContact CD2-CD1 4Å; L116-V245 HydrophobicContact CD1-CB 4.47Å; L116-V245 HydrophobicContact CD1-CG2 3.76Å; L116-V245 HydrophobicContact CG-CG2 4.23Å
117K96.1Very high94.8Very high64 Ų6448.6 Ų48.628%0.27830%0.295SS..Hα-helixtrans-66.3-39.9174.2-72.5-179.4175.9-176.70112.7T113 T114 F115 S120 G121 E122 L123T113-K117 WeakPolarHBondContact O-CG 3.31Å; T113-K117 PolarHBondContact O-N 3.4Å; T114-K117 WeakPolarHBondContact O-CB 3.28Å; T114-K117 PolarHBondContact O-N 3.36Å; F115-K117 VanDerWaalsContact C-N 3.26Å; F115-K117 PolarHBondContact O-N 3.01Å; K117-S120 VanDerWaalsContact CA-OG 3.31Å; K117-S120 WeakPolarHBondContact CA-OG 3.41Å; K117-S120 PolarHBondContact O-OG 2.93Å; K117-S120 VanDerWaalsContact O-OG 3.1Å; K117-G121 PolarHBondContact O-N 3.2Å; K117-E122 HydrophobicContact CB-CB 4.2Å; K117-E122 HydrophobicContact CG-CB 4.42Å; K117-E122 PolarHBondContact O-N 3.43Å; K117-L123 HydrophobicContact CB-CB 4.29Å; K117-L123 HydrophobicContact CB-CD1 3.64Å; K117-L123 HydrophobicContact CB-CG 3.82Å; K117-L123 HydrophobicContact CD-CD1 3.88Å; K117-L123 HydrophobicContact CD-CG 4.3Å; K117-L123 HydrophobicContact CG-CD1 4.42Å; K117-L123 PolarHBondContact O-N 2.96Å
118L97.4Very high95.1Very high0 Ų047.1 Ų47.10%029%0.291CS..Hα-helixtrans-64-43.5173.4-73.3166.7000111I77 F79 Y89 T114 F115 G121 L123 I130 R132I77-L118 HydrophobicContact CD1-CD1 4.2Å; F79-L118 HydrophobicContact CB-CD1 3.98Å; F79-L118 HydrophobicContact CD1-CD1 4.34Å; F79-L118 HydrophobicContact CD2-CD1 4.49Å; F79-L118 HydrophobicContact CD2-CD2 3.84Å; F79-L118 HydrophobicContact CE2-CD2 4.27Å; F79-L118 HydrophobicContact CG-CD1 4Å; F79-L118 HydrophobicContact CG-CD2 4.18Å; Y89-L118 HydrophobicContact CD2-CD1 3.89Å; Y89-L118 HydrophobicContact CE2-CD1 4.1Å; T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.17Å; F115-L118 WeakPolarHBondContact O-CB 3.24Å; F115-L118 PolarHBondContact O-N 3.15Å; F115-L118 VanDerWaalsContact O-N 3.1Å; L118-G121 PolarHBondContact O-N 3.13Å; L118-L123 HydrophobicContact CD2-CB 3.83Å; L118-L123 HydrophobicContact CG-CB 4.23Å; L118-I130 HydrophobicContact CB-CD1 3.92Å; L118-I130 WeakPolarHBondContact O-CD1 3.36Å; L118-R132 PolarHBondContact O-NH2 2.9Å
119I97Very high95.5Very high0 Ų044.7 Ų44.70%028%0.278CS..Hα-helixtrans-66.4-44.9178.2-64.4-51.7000111.7I72 V74 I96 F115 L116 G121 R132 I138 L215 L243I72-I119 HydrophobicContact CD1-CG2 3.7Å; I72-I119 HydrophobicContact CG2-CD1 4.39Å; V74-I119 HydrophobicContact CG2-CD1 3.62Å; I96-I119 HydrophobicContact CD1-CD1 3.62Å; I96-I119 HydrophobicContact CD1-CG1 3.86Å; I96-I119 HydrophobicContact CD1-CG2 3.96Å; F115-I119 HydrophobicContact CD1-CG1 4.21Å; F115-I119 HydrophobicContact CD2-CG1 4.35Å; F115-I119 HydrophobicContact CE1-CD1 4.34Å; F115-I119 HydrophobicContact CE1-CG1 3.89Å; F115-I119 HydrophobicContact CE2-CD1 3.81Å; F115-I119 HydrophobicContact CE2-CG1 4Å; F115-I119 HydrophobicContact CG-CG1 4.44Å; F115-I119 HydrophobicContact CZ-CD1 3.71Å; F115-I119 HydrophobicContact CZ-CG1 3.77Å; F115-I119 WeakPolarHBondContact O-CG1 3.15Å; F115-I119 PolarHBondContact O-N 3.27Å; L116-I119 PolarHBondContact O-N 3.45Å; I119-G121 PolarHBondContact O-N 3.49Å; I119-R132 VanDerWaalsContact O-CZ 3.31Å; I119-R132 PolarHBondContact O-NE 2.76Å; I119-R132 PolarHBondContact O-NH2 2.88Å; I119-I138 HydrophobicContact CG2-CD1 4.49Å; I119-I138 WeakPolarHBondContact O-CD1 3.29Å; I119-L215 HydrophobicContact CB-CD1 4.35Å; I119-L215 HydrophobicContact CG2-CD1 4.12Å; I119-L215 HydrophobicContact CG2-CD2 4.13Å; I119-L243 HydrophobicContact CG1-CD1 4.34Å
120S95.3Very high96Very high33 Ų3341.9 Ų41.923%0.23125%0.245CC..Hα-helixtrans-68.3-19.4176.5510000114L116 K117L116-S120 WeakPolarHBondContact O-CB 3.33Å; L116-S120 PolarHBondContact O-N 2.88Å; L116-S120 PolarHBondContact O-OG 3.4Å; K117-S120 VanDerWaalsContact CA-OG 3.31Å; K117-S120 WeakPolarHBondContact CA-OG 3.41Å; K117-S120 PolarHBondContact O-OG 2.93Å; K117-S120 VanDerWaalsContact O-OG 3.1Å
121G94.8Very high96.3Very high38 Ų3848.1 Ų48.139%0.39226%0.264SS..THydrogen-bonded Turntrans897.9-179.600000114.2K117 L118 I119 L123K117-G121 PolarHBondContact O-N 3.2Å; L118-G121 PolarHBondContact O-N 3.13Å; I119-G121 PolarHBondContact O-N 3.49Å; G121-L123 PolarHBondContact O-N 3.49Å
122E94.3Very high96.4Very high112 Ų11252 Ų5252%0.52328%0.277SS..SBendtrans-67-26.5170.8-69.7173.7-145.600112.3K117 R140K117-E122 HydrophobicContact CB-CB 4.2Å; K117-E122 HydrophobicContact CG-CB 4.42Å; K117-E122 PolarHBondContact O-N 3.43Å; E122-R140 IonicContact OE1-CZ 3.06Å; E122-R140 IonicContact OE1-NH1 3.33Å; E122-R140 PolarHBondContact OE1-NH1 3.13Å; E122-R140 IonicContact OE2-NH1 2.99Å; E122-R140 PolarHBondContact OE2-NH1 3.22Å
123L96Very high96.5Very high39 Ų3953.6 Ų53.620%0.20429%0.285CS..SBendtrans-120.8144.5172.6-67.4175.7000110F79 Y81 T114 K117 L118 G121F79-L123 HydrophobicContact CE1-CD1 4.24Å; F79-L123 HydrophobicContact CE2-CB 4.34Å; F79-L123 HydrophobicContact CE2-CD1 4.46Å; F79-L123 HydrophobicContact CZ-CB 4.48Å; F79-L123 HydrophobicContact CZ-CD1 3.8Å; F79-L123 HydrophobicContact CZ-CD2 4.43Å; F79-L123 HydrophobicContact CZ-CG 4.47Å; Y81-L123 HydrophobicContact CE1-CD1 3.91Å; Y81-L123 HydrophobicContact CE1-CD2 4.41Å; T114-L123 HydrophobicContact CG2-CD1 3.99Å; K117-L123 HydrophobicContact CB-CB 4.29Å; K117-L123 HydrophobicContact CB-CD1 3.64Å; K117-L123 HydrophobicContact CB-CG 3.82Å; K117-L123 HydrophobicContact CD-CD1 3.88Å; K117-L123 HydrophobicContact CD-CG 4.3Å; K117-L123 HydrophobicContact CG-CD1 4.42Å; K117-L123 PolarHBondContact O-N 2.96Å; L118-L123 HydrophobicContact CD2-CB 3.83Å; L118-L123 HydrophobicContact CG-CB 4.23Å; G121-L123 PolarHBondContact O-N 3.49Å
124L96.5Very high96.5Very high141 Ų14155.8 Ų55.874%0.73830%0.303SS*.  trans-96.3140170.7-63.8176.1000109.5F79F79-L124 WeakPolarHBondContact CD2-O 3.34Å; F79-L124 VanDerWaalsContact CE2-O 3.31Å; F79-L124 WeakPolarHBondContact CE2-O 3.44Å
125P97.4Very high96.5Very high33 Ų3361.6 Ų61.621%0.21433%0.329CS..  trans-61.2150.2172.328.8-34.6000110.3I77 D127I77-P125 HydrophobicContact CB-CB 4.31Å; I77-P125 HydrophobicContact CG2-CB 4.29Å; P125-D127 WeakPolarHBondContact CB-O 3.16Å
126T97Very high96.4Very high68 Ų6862.8 Ų62.842%0.41734%0.336SS..SBendtrans-73.1-36.6173.2-53.50000110.7S78 R80 W87S78-T126 WeakPolarHBondContact O-CA 3.39Å; S78-T126 WeakPolarHBondContact O-CB 3.27Å; S78-T126 PolarHBondContact O-N 2.93Å; R80-T126 HydrophobicContact CG-CG2 4.33Å; R80-T126 PolarHBondContact N-OG1 3.32Å; R80-T126 VanDerWaalsContact N-OG1 3.09Å; R80-T126 PolarHBondContact O-OG1 3.41Å; W87-T126 HydrophobicContact CH2-CG2 4.13Å; W87-T126 HydrophobicContact CZ3-CG2 4.16Å
127D97.2Very high96.4Very high108 Ų10868 Ų6858%0.57836%0.358SS*.EExtended strand (participates in β ladder)trans-146.6158.6173.7-169.921.3000109.4I77 S78 P125I77-D127 CarbonylContact C-O 3.57Å; I77-D127 VanDerWaalsContact CA-O 3.31Å; I77-D127 WeakPolarHBondContact CA-O 3.48Å; S78-D127 PolarHBondContact N-O 3.46Å; S78-D127 PolarHBondContact O-N 3.02Å; P125-D127 WeakPolarHBondContact CB-O 3.16Å
128G97.2Very high96.5Very high33 Ų3366.8 Ų66.834%0.3436%0.355SS..EExtended strand (participates in β ladder)trans83.7-174.4-174.100000114Q75 H76Q75-G128 WeakPolarHBondContact O-CA 3.46Å; H76-G128 WeakPolarHBondContact O-CA 3.29Å
129L97.1Very high96.4Very high84 Ų8466.8 Ų66.844%0.4436%0.355SS..EExtended strand (participates in β ladder)trans-135135-170-177.465000112Q75 R131Q75-L129 PolarHBondContact N-O 3.24Å; Q75-L129 PolarHBondContact O-N 2.86Å; L129-R131 HydrophobicContact CD2-CG 3.56Å; L129-R131 HydrophobicContact CG-CG 3.8Å
130I98Very high96.3Very high15 Ų1568.2 Ų68.28%0.07736%0.36CS..EExtended strand (participates in β ladder)trans-112.3106167.7-56177.3000108.3I72 M73 V74 I77 L118 R132I72-I130 HydrophobicContact CG2-CG2 3.86Å; M73-I130 CarbonylContact O-C 3.47Å; M73-I130 WeakPolarHBondContact O-CA 3.33Å; V74-I130 HydrophobicContact CG1-CG1 4.41Å; V74-I130 HydrophobicContact CG2-CG1 4.34Å; V74-I130 HydrophobicContact CG2-CG2 4.28Å; I77-I130 HydrophobicContact CD1-CD1 4.39Å; I77-I130 HydrophobicContact CG2-CD1 4.45Å; I77-I130 HydrophobicContact CG2-CG1 3.82Å; L118-I130 HydrophobicContact CB-CD1 3.92Å; L118-I130 WeakPolarHBondContact O-CD1 3.36Å; I130-R132 PolarHBondContact O-NH1 3.47Å
131R97.2Very high96.2Very high151 Ų15166.7 Ų66.757%0.5735%0.349SS*.EExtended strand (participates in β ladder)trans-90136.9174.2-61.9-176.766.3108.4-0.9109.6I72 M73 L129I72-R131 CarbonylContact C-O 3.59Å; I72-R131 VanDerWaalsContact CA-O 3.31Å; I72-R131 WeakPolarHBondContact CA-O 3.3Å; M73-R131 HydrophobicContact CB-CB 4.43Å; M73-R131 PolarHBondContact N-O 3.22Å; M73-R131 PolarHBondContact O-N 2.98Å; L129-R131 HydrophobicContact CD2-CG 3.56Å; L129-R131 HydrophobicContact CG-CG 3.8Å
132R97Very high95.8Very high87 Ų8767.1 Ų67.133%0.32834%0.341SS..EExtended strand (participates in β ladder)trans-125.3142175.6-65.9173.7-167.777.1-1.4108.5I72 L118 I119 I130 S134 V136I72-R132 HydrophobicContact CG1-CG 4.21Å; I72-R132 HydrophobicContact CG2-CG 4.1Å; L118-R132 PolarHBondContact O-NH2 2.9Å; I119-R132 VanDerWaalsContact O-CZ 3.31Å; I119-R132 PolarHBondContact O-NE 2.76Å; I119-R132 PolarHBondContact O-NH2 2.88Å; I130-R132 PolarHBondContact O-NH1 3.47Å; R132-S134 PolarHBondContact O-N 3.48Å; R132-V136 HydrophobicContact CB-CG1 3.93Å
133H97.1Very high94.9Very high51 Ų5165.9 Ų65.924%0.23634%0.335CS..  trans-59.9137.1170.3-172.2-88.3000109.7I67 V71 H135 V136I67-H133 HydrophobicContact CG2-CB 3.81Å; I67-H133 WeakPolarHBondContact CG2-ND1 3.17Å; V71-H133 PolarHBondContact O-N 3.22Å; H133-H135 AromaticContact CE1-CD2 3.8Å; H133-H135 PolarHBondContact ND1-N 2.85Å; H133-H135 PolarHBondContact O-N 3.37Å; H133-H135 VanDerWaalsContact O-N 3.07Å; H133-V136 HydrophobicContact CB-CB 4.35Å; H133-V136 VanDerWaalsContact O-CG1 3.23Å; H133-V136 WeakPolarHBondContact O-CG1 3.45Å; H133-V136 PolarHBondContact O-N 2.85Å
134S94.5Very high93.9Very high101 Ų10168.4 Ų68.471%0.70635%0.346SS*.THydrogen-bonded Turntrans-57.6-28.9-172.552.50000114.1R132R132-S134 PolarHBondContact O-N 3.48Å
135H94.6Very high92.8Very high136 Ų13662.2 Ų62.263%0.6331%0.313SS*.THydrogen-bonded Turntrans-100.23-179.6-61.1-64.8000114.3H133 K137 H212H133-H135 AromaticContact CE1-CD2 3.8Å; H133-H135 PolarHBondContact ND1-N 2.85Å; H133-H135 PolarHBondContact O-N 3.37Å; H133-H135 VanDerWaalsContact O-N 3.07Å; H135-K137 PolarHBondContact O-N 3.12Å; H135-H212 PolarHBondContact O-CE1 2.65Å
136V96.7Very high91.6Very high25 Ų2560.9 Ų60.915%0.15230%0.304CS..  trans-64.5136.3179770000110.1I67 V71 R132 H133 I138 H212 I213I67-V136 HydrophobicContact CD1-CB 4.13Å; I67-V136 HydrophobicContact CD1-CG2 4.37Å; V71-V136 HydrophobicContact CG1-CB 4.08Å; V71-V136 HydrophobicContact CG1-CG2 3.43Å; V71-V136 VanDerWaalsContact CG1-CG2 3.43Å; R132-V136 HydrophobicContact CB-CG1 3.93Å; H133-V136 HydrophobicContact CB-CB 4.35Å; H133-V136 VanDerWaalsContact O-CG1 3.23Å; H133-V136 WeakPolarHBondContact O-CG1 3.45Å; H133-V136 PolarHBondContact O-N 2.85Å; V136-I138 HydrophobicContact CG1-CG1 4.36Å; V136-I138 HydrophobicContact CG2-CG1 4.32Å; V136-H212 HydrophobicContact CG2-CB 3.98Å; V136-I213 HydrophobicContact CG2-CG1 4.01Å
137K96.8Very high90.4Very high109 Ų10963 Ų6347%0.47431%0.31SS..  trans-112.4122.9171-61.5177.9-174.9175.50107.5H135 P211 H212 I213H135-K137 PolarHBondContact O-N 3.12Å; K137-P211 CarbonylContact O-C 3.57Å; K137-H212 WeakPolarHBondContact CB-ND1 3.31Å; K137-H212 PolarHBondContact N-ND1 2.94Å; K137-H212 PolarHBondContact O-N 3.08Å; K137-I213 PolarHBondContact O-N 3.32Å; K137-I213 VanDerWaalsContact O-N 3.13Å
138I97.3Very high89.6Confident39 Ų3963.7 Ų63.720%0.231%0.312CS..EExtended strand (participates in β ladder)trans-106.8117179.5-58.3175.2000106.7I72 I119 V136 I213 L215I72-I138 HydrophobicContact CD1-CD1 3.66Å; I72-I138 HydrophobicContact CD1-CG1 4.26Å; I119-I138 HydrophobicContact CG2-CD1 4.49Å; I119-I138 WeakPolarHBondContact O-CD1 3.29Å; V136-I138 HydrophobicContact CG1-CG1 4.36Å; V136-I138 HydrophobicContact CG2-CG1 4.32Å; I138-I213 WeakPolarHBondContact CA-O 3.38Å; I138-I213 HydrophobicContact CG1-CB 4.42Å; I138-L215 HydrophobicContact CG2-CD1 3.48Å; I138-L215 VanDerWaalsContact CG2-CD1 3.48Å; I138-L215 HydrophobicContact CG2-CG 3.69Å
139G95.6Very high89.1Confident0 Ų062.4 Ų62.40%030%0.298CS..EExtended strand (participates in β ladder)trans-98.3126.8174.600000108.8L206 P211 I213 L214 L215G139-L206 VanDerWaalsContact CA-CD1 3.47Å; G139-P211 VanDerWaalsContact N-CB 3.26Å; G139-I213 PolarHBondContact N-O 2.96Å; G139-L214 CarbonylContact O-C 3.6Å; G139-L214 WeakPolarHBondContact O-CA 3.43Å; G139-L215 PolarHBondContact O-N 2.77Å
140R94.7Very high88.8Confident29 Ų2961.1 Ų61.111%0.10929%0.291CS..EExtended strand (participates in β ladder)trans-117.5127.5179.3-174.9176179.4-158.6-1.7111.1E122 L215 D217E122-R140 IonicContact OE1-CZ 3.06Å; E122-R140 IonicContact OE1-NH1 3.33Å; E122-R140 PolarHBondContact OE1-NH1 3.13Å; E122-R140 IonicContact OE2-NH1 2.99Å; E122-R140 PolarHBondContact OE2-NH1 3.22Å; R140-L215 CarbonylContact C-O 3.08Å; R140-L215 VanDerWaalsContact CA-O 3.31Å; R140-L215 WeakPolarHBondContact CA-O 3.24Å; R140-L215 HydrophobicContact CB-CB 4.21Å; R140-L215 HydrophobicContact CG-CB 4.05Å; R140-D217 IonicContact NH2-OD2 2.92Å
141Y93.9Very high88.6Confident2 Ų263.1 Ų63.11%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-100.7125.4162.6-167.1-86.6000108.3L145 C199 F203 L206 L215 D217 P219Y141-L145 HydrophobicContact CD2-CD2 3.87Å; Y141-L145 HydrophobicContact CE2-CD2 4.24Å; Y141-L145 HydrophobicContact CG-CD2 4.44Å; Y141-C199 WeakPolarHBondContact OH-CB 3.4Å; Y141-C199 PolarHBondContact OH-SG 3.06Å; Y141-C199 VanDerWaalsContact OH-SG 3.38Å; Y141-F203 HydrophobicContact CD1-CZ 4.32Å; Y141-F203 AromaticContact CD2-CD1 3.96Å; Y141-F203 HydrophobicContact CD2-CD1 3.96Å; Y141-F203 HydrophobicContact CD2-CD2 4.31Å; Y141-F203 AromaticContact CD2-CE1 3.67Å; Y141-F203 HydrophobicContact CD2-CE1 3.67Å; Y141-F203 HydrophobicContact CD2-CE2 4.06Å; Y141-F203 HydrophobicContact CD2-CG 4.27Å; Y141-F203 AromaticContact CD2-CZ 3.72Å; Y141-F203 HydrophobicContact CD2-CZ 3.72Å; Y141-F203 HydrophobicContact CE1-CE2 4.39Å; Y141-F203 HydrophobicContact CE1-CZ 4.21Å; Y141-F203 HydrophobicContact CE2-CD1 4.17Å; Y141-F203 AromaticContact CE2-CD2 3.68Å; Y141-F203 HydrophobicContact CE2-CD2 3.68Å; Y141-F203 AromaticContact CE2-CE1 3.96Å; Y141-F203 HydrophobicContact CE2-CE1 3.96Å; Y141-F203 AromaticContact CE2-CE2 3.45Å; Y141-F203 HydrophobicContact CE2-CE2 3.45Å; Y141-F203 VanDerWaalsContact CE2-CE2 3.45Å; Y141-F203 HydrophobicContact CE2-CG 4.05Å; Y141-F203 AromaticContact CE2-CZ 3.59Å; Y141-F203 HydrophobicContact CE2-CZ 3.59Å; Y141-F203 HydrophobicContact CG-CE1 4.09Å; Y141-F203 HydrophobicContact CG-CZ 4.08Å; Y141-F203 AromaticContact CZ-CE2 3.64Å; Y141-F203 AromaticContact CZ-CZ 3.85Å; Y141-L206 HydrophobicContact CD2-CD2 4.33Å; Y141-L215 PolarHBondContact N-O 3.1Å; Y141-D217 PolarHBondContact O-N 2.9Å; Y141-P219 HydrophobicContact CD1-CB 4.08Å; Y141-P219 HydrophobicContact CE1-CB 4.34Å
142H85.9Confident88.5Confident46 Ų4661.3 Ų61.321%0.21330%0.304CS..  trans-121.2154.3174.468.654.4000111H144 L145 L148H142-H144 VanDerWaalsContact C-N 3.27Å; H142-H144 VanDerWaalsContact ND1-C 3.34Å; H142-H144 PolarHBondContact ND1-N 2.92Å; H142-H144 PolarHBondContact O-N 3.33Å; H142-H144 VanDerWaalsContact O-N 3.1Å; H142-L145 WeakPolarHBondContact CE1-CA 3.39Å; H142-L145 PolarHBondContact CE1-N 2.81Å; H142-L145 WeakPolarHBondContact ND1-CA 3.48Å; H142-L145 PolarHBondContact ND1-N 2.99Å; H142-L145 WeakPolarHBondContact O-CB 3.18Å; H142-L145 PolarHBondContact O-N 3.48Å; H142-L148 VanDerWaalsContact CE1-CD1 3.48Å; H142-L148 WeakPolarHBondContact CE1-CD1 3.17Å; H142-L148 WeakPolarHBondContact NE2-CD1 3.38Å
143Q75.4Confident88.4Confident86 Ų8658.9 Ų58.940%0.40230%0.297SS..THydrogen-bonded Turntrans-47-45-175.2-178165.410.500114.1L145 H146 D217 N221Q143-L145 PolarHBondContact O-N 2.77Å; Q143-H146 PolarHBondContact O-CE1 2.95Å; Q143-H146 PolarHBondContact O-ND1 3.18Å; Q143-D217 PolarHBondContact N-O 3.42Å; Q143-N221 WeakPolarHBondContact CG-ND2 3.41Å; Q143-N221 PolarHBondContact NE2-ND2 3.39Å
144H74.6Confident88.4Confident92 Ų9256.6 Ų56.643%0.42629%0.287SS..THydrogen-bonded Turntrans-89.916.5-178.5-56.6-68.5000114.9H142 H146 E147 L148H142-H144 VanDerWaalsContact C-N 3.27Å; H142-H144 VanDerWaalsContact ND1-C 3.34Å; H142-H144 PolarHBondContact ND1-N 2.92Å; H142-H144 PolarHBondContact O-N 3.33Å; H142-H144 VanDerWaalsContact O-N 3.1Å; H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.25Å; H144-E147 HydrophobicContact CB-CB 4.44Å; H144-E147 HydrophobicContact CB-CG 4.46Å; H144-E147 IonicContact CE1-OE1 3.49Å; H144-E147 IonicContact CG-OE1 3.45Å; H144-E147 IonicContact CG-OE2 3.77Å; H144-E147 VanDerWaalsContact ND1-CD 3.26Å; H144-E147 IonicContact ND1-OE1 3.89Å; H144-E147 PolarHBondContact ND1-OE1 3.25Å; H144-E147 IonicContact ND1-OE2 2.85Å; H144-E147 PolarHBondContact ND1-OE2 3.15Å; H144-E147 WeakPolarHBondContact O-CB 3.5Å; H144-E147 PolarHBondContact O-N 2.92Å; H144-L148 PolarHBondContact O-N 3.04Å
145L73.9Confident88.4Confident12 Ų1251.8 Ų51.86%0.06325%0.253CS..G310 helixtrans-66.5-38.1-170.6-174.763.3000111.2Y141 H142 Q143 E147 L148 W205Y141-L145 HydrophobicContact CD2-CD2 3.87Å; Y141-L145 HydrophobicContact CE2-CD2 4.24Å; Y141-L145 HydrophobicContact CG-CD2 4.44Å; H142-L145 WeakPolarHBondContact CE1-CA 3.39Å; H142-L145 PolarHBondContact CE1-N 2.81Å; H142-L145 WeakPolarHBondContact ND1-CA 3.48Å; H142-L145 PolarHBondContact ND1-N 2.99Å; H142-L145 WeakPolarHBondContact O-CB 3.18Å; H142-L145 PolarHBondContact O-N 3.48Å; Q143-L145 PolarHBondContact O-N 2.77Å; L145-E147 PolarHBondContact O-N 2.69Å; L145-L148 PolarHBondContact O-N 3.22Å; L145-W205 HydrophobicContact CD1-CZ3 4.27Å; L145-W205 HydrophobicContact CD2-CE3 4.24Å; L145-W205 HydrophobicContact CD2-CZ3 4.06Å
146H71.9Confident88.4Confident5 Ų545.4 Ų45.42%0.02322%0.223CC..G310 helixtrans-68.6-19.8176.471.3-81.6000113.2Q143 H144 L149 R198 H222Q143-H146 PolarHBondContact O-CE1 2.95Å; Q143-H146 PolarHBondContact O-ND1 3.18Å; H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.25Å; H146-L149 HydrophobicContact CB-CD1 4.35Å; H146-L149 WeakPolarHBondContact O-CB 3.5Å; H146-L149 WeakPolarHBondContact O-CG 3.5Å; H146-R198 HydrophobicContact CB-CB 4Å; H146-H222 AromaticContact CE1-CD2 3.68Å; H146-H222 AromaticContact CE1-NE2 3.6Å; H146-H222 AromaticContact NE2-CD2 3.9Å; H146-H222 AromaticContact NE2-NE2 3.71Å
147E72.8Confident88.3Confident113 Ų11348.9 Ų48.953%0.52824%0.238SC..G310 helixtrans-81.3-23.9174.7-59.5174.3-15700112.1H144 L145 L149H144-E147 HydrophobicContact CB-CB 4.44Å; H144-E147 HydrophobicContact CB-CG 4.46Å; H144-E147 IonicContact CE1-OE1 3.49Å; H144-E147 IonicContact CG-OE1 3.45Å; H144-E147 IonicContact CG-OE2 3.77Å; H144-E147 VanDerWaalsContact ND1-CD 3.26Å; H144-E147 IonicContact ND1-OE1 3.89Å; H144-E147 PolarHBondContact ND1-OE1 3.25Å; H144-E147 IonicContact ND1-OE2 2.85Å; H144-E147 PolarHBondContact ND1-OE2 3.15Å; H144-E147 WeakPolarHBondContact O-CB 3.5Å; H144-E147 PolarHBondContact O-N 2.92Å; L145-E147 PolarHBondContact O-N 2.69Å; E147-L149 PolarHBondContact O-N 2.84Å
148L78.8Confident88.3Confident121 Ų12145.1 Ų45.163%0.63422%0.221SC*.SBendtrans-78.2-6.7173.7-61.2179.8000112.8H142 H144 L145H142-L148 VanDerWaalsContact CE1-CD1 3.48Å; H142-L148 WeakPolarHBondContact CE1-CD1 3.17Å; H142-L148 WeakPolarHBondContact NE2-CD1 3.38Å; H144-L148 PolarHBondContact O-N 3.04Å; L145-L148 PolarHBondContact O-N 3.22Å
149L86.9Confident88.1Confident6 Ų643.3 Ų43.33%0.03121%0.211CC..SBendtrans-66.3135.2174.3-62.6177.5000110H146 E147 L151 Y158 M190 R198 V201H146-L149 HydrophobicContact CB-CD1 4.35Å; H146-L149 WeakPolarHBondContact O-CB 3.5Å; H146-L149 WeakPolarHBondContact O-CG 3.5Å; E147-L149 PolarHBondContact O-N 2.84Å; L149-L151 HydrophobicContact CB-CD2 4.32Å; L149-L151 PolarHBondContact O-N 3.41Å; L149-Y158 HydrophobicContact CD2-CD1 4.04Å; L149-Y158 HydrophobicContact CD2-CD2 4.26Å; L149-Y158 HydrophobicContact CD2-CE1 3.52Å; L149-Y158 HydrophobicContact CD2-CE2 3.77Å; L149-Y158 HydrophobicContact CD2-CG 4.39Å; L149-M190 HydrophobicContact CB-CE 3.93Å; L149-M190 HydrophobicContact CB-SD 4.45Å; L149-M190 HydrophobicContact CD1-SD 4.11Å; L149-R198 HydrophobicContact CD1-CB 3.9Å; L149-R198 HydrophobicContact CD1-CG 4.39Å; L149-V201 HydrophobicContact CD1-CB 4.49Å
150D91.2Very high88.1Confident58 Ų5845.5 Ų45.531%0.3122%0.223SC..  trans-69.796.9170.7-177.6-7.4000109.5N152 I153 M190D150-N152 PolarHBondContact O-N 3.4Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.45Å; D150-N152 PolarHBondContact OD1-N 2.83Å; D150-N152 VanDerWaalsContact OD1-N 3.15Å; D150-I153 HydrophobicContact CB-CD1 3.98Å; D150-I153 HydrophobicContact CB-CG1 3.87Å; D150-I153 VanDerWaalsContact O-CG1 3.3Å; D150-I153 WeakPolarHBondContact O-CG1 3.33Å; D150-I153 PolarHBondContact O-N 3Å; D150-M190 WeakPolarHBondContact O-CE 3.45Å
151L92.9Very high88Confident56 Ų5651.2 Ų51.229%0.29325%0.249SC..THydrogen-bonded Turntrans-66-11.9-173.9-58.2-175.6000113.7L149 M190 K191L149-L151 HydrophobicContact CB-CD2 4.32Å; L149-L151 PolarHBondContact O-N 3.41Å; L151-M190 HydrophobicContact CD2-CB 4.42Å; L151-M190 PolarHBondContact O-N 3.15Å; L151-K191 HydrophobicContact CB-CB 4Å; L151-K191 WeakPolarHBondContact O-CB 3.31Å; L151-K191 PolarHBondContact O-N 2.81Å
152N95.2Very high87.9Confident114 Ų11453 Ų5361%0.6126%0.261SS*.THydrogen-bonded Turntrans-85.3-20.1-179.1-63.3-56.3000113.2D150D150-N152 PolarHBondContact O-N 3.4Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.45Å; D150-N152 PolarHBondContact OD1-N 2.83Å; D150-N152 VanDerWaalsContact OD1-N 3.15Å
153I95.8Very high88.3Confident36 Ų3651.8 Ų51.819%0.18526%0.255CS..SBendtrans-102.2164.4177.165.2176.3000110.9D150 E157 Y158 K161 M190D150-I153 HydrophobicContact CB-CD1 3.98Å; D150-I153 HydrophobicContact CB-CG1 3.87Å; D150-I153 VanDerWaalsContact O-CG1 3.3Å; D150-I153 WeakPolarHBondContact O-CG1 3.33Å; D150-I153 PolarHBondContact O-N 3Å; I153-E157 HydrophobicContact CB-CB 4.15Å; I153-E157 HydrophobicContact CD1-CB 4.45Å; I153-Y158 HydrophobicContact CD1-CD2 4.4Å; I153-K161 HydrophobicContact CD1-CD 4.44Å; I153-M190 HydrophobicContact CG1-CE 4.21Å; I153-M190 WeakPolarHBondContact O-CG 3.31Å; I153-M190 PolarHBondContact O-N 2.83Å
154S96.2Very high89Confident3 Ų352.7 Ų52.72%0.02127%0.268CS..BIsolated β-bridgetrans-78.4161.617666.30000112.6L156 E157 Y158 Q186 I187 C188S154-L156 PolarHBondContact O-N 2.85Å; S154-E157 WeakPolarHBondContact CB-OE2 3.42Å; S154-E157 PolarHBondContact N-OE2 3.26Å; S154-E157 PolarHBondContact O-N 3.34Å; S154-E157 WeakPolarHBondContact OG-CB 3.22Å; S154-E157 WeakPolarHBondContact OG-CG 3.45Å; S154-E157 PolarHBondContact OG-N 3.33Å; S154-E157 PolarHBondContact OG-OE2 3.02Å; S154-Y158 WeakPolarHBondContact O-CB 3.4Å; S154-Y158 PolarHBondContact O-N 3.44Å; S154-Q186 VanDerWaalsContact CB-O 3.3Å; S154-Q186 WeakPolarHBondContact CB-O 3.26Å; S154-Q186 PolarHBondContact OG-O 3.26Å; S154-I187 VanDerWaalsContact CB-C 3.47Å; S154-I187 WeakPolarHBondContact CB-O 3.46Å; S154-C188 VanDerWaalsContact CA-O 3.27Å; S154-C188 WeakPolarHBondContact CA-O 3.45Å; S154-C188 VanDerWaalsContact CB-O 3.27Å; S154-C188 WeakPolarHBondContact CB-O 3.37Å
155A94.7Very high89.8Confident0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-58.8-37.617700000112.1Y158 M159 I176 I181 M190 V201A155-Y158 PolarHBondContact O-N 3.13Å; A155-M159 WeakPolarHBondContact O-CG 3.49Å; A155-M159 PolarHBondContact O-N 2.74Å; A155-I176 HydrophobicContact CB-CG2 4.25Å; A155-I181 HydrophobicContact CB-CG2 4.35Å; A155-M190 HydrophobicContact CB-CG 4.27Å; A155-M190 HydrophobicContact CB-SD 4.14Å; A155-V201 HydrophobicContact CB-CG1 4.04Å; A155-V201 HydrophobicContact CB-CG2 3.67Å
156L95.5Very high90.6Very high1 Ų154.7 Ų54.71%0.00528%0.279CS..Hα-helixtrans-67.9-42.7177.9-176.256.1000112.2S154 M159 L160 K169 M172 R173 I176 Q186 I187S154-L156 PolarHBondContact O-N 2.85Å; L156-M159 PolarHBondContact O-N 3.29Å; L156-L160 HydrophobicContact CD1-CD1 4.36Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 3.39Å; L156-K169 HydrophobicContact CD1-CG 4.24Å; L156-K169 HydrophobicContact CD2-CD 4.3Å; L156-K169 HydrophobicContact CD2-CG 4.19Å; L156-K169 HydrophobicContact CG-CG 4.45Å; L156-M172 HydrophobicContact CD1-CB 3.59Å; L156-R173 HydrophobicContact CD1-CG 3.71Å; L156-R173 HydrophobicContact CD2-CG 3.67Å; L156-R173 HydrophobicContact CG-CG 4.36Å; L156-I176 HydrophobicContact CB-CD1 4.16Å; L156-I176 HydrophobicContact CD1-CD1 3.94Å; L156-Q186 HydrophobicContact CB-CB 4.46Å; L156-Q186 WeakPolarHBondContact CB-O 3.23Å; L156-Q186 PolarHBondContact N-O 2.89Å; L156-Q186 VanDerWaalsContact N-O 3.16Å; L156-I187 HydrophobicContact CD2-CG2 4.44Å
157E95.3Very high91.2Very high98 Ų9863.6 Ų63.646%0.45832%0.318SS..Hα-helixtrans-65.2-40.7174.9-72.6162.5157.200111.6I153 S154 M159 L160 K161I153-E157 HydrophobicContact CB-CB 4.15Å; I153-E157 HydrophobicContact CD1-CB 4.45Å; S154-E157 WeakPolarHBondContact CB-OE2 3.42Å; S154-E157 PolarHBondContact N-OE2 3.26Å; S154-E157 PolarHBondContact O-N 3.34Å; S154-E157 WeakPolarHBondContact OG-CB 3.22Å; S154-E157 WeakPolarHBondContact OG-CG 3.45Å; S154-E157 PolarHBondContact OG-N 3.33Å; S154-E157 PolarHBondContact OG-OE2 3.02Å; E157-M159 PolarHBondContact O-N 2.89Å; E157-L160 PolarHBondContact O-N 3.09Å; E157-K161 VanDerWaalsContact O-CB 3.25Å; E157-K161 WeakPolarHBondContact O-CB 3.31Å; E157-K161 PolarHBondContact O-N 3.27Å
158Y95.2Very high92Very high31 Ų3164 Ų6412%0.12232%0.32CS..Hα-helixtrans-59-47.1175.6173.8-99.2000111.9L149 I153 S154 A155 K161 S162 M190 V201 W205L149-Y158 HydrophobicContact CD2-CD1 4.04Å; L149-Y158 HydrophobicContact CD2-CD2 4.26Å; L149-Y158 HydrophobicContact CD2-CE1 3.52Å; L149-Y158 HydrophobicContact CD2-CE2 3.77Å; L149-Y158 HydrophobicContact CD2-CG 4.39Å; I153-Y158 HydrophobicContact CD1-CD2 4.4Å; S154-Y158 WeakPolarHBondContact O-CB 3.4Å; S154-Y158 PolarHBondContact O-N 3.44Å; A155-Y158 PolarHBondContact O-N 3.13Å; Y158-K161 PolarHBondContact O-N 3.23Å; Y158-S162 WeakPolarHBondContact O-CB 3.47Å; Y158-S162 PolarHBondContact O-N 3.12Å; Y158-S162 PolarHBondContact O-OG 3.48Å; Y158-M190 HydrophobicContact CD2-CE 4.17Å; Y158-M190 HydrophobicContact CG-CE 3.9Å; Y158-V201 HydrophobicContact CD1-CG1 4.15Å; Y158-W205 HydrophobicContact CE1-CB 4.18Å; Y158-W205 AromaticContact CE1-CD1 3.8Å; Y158-W205 HydrophobicContact CE1-CG 4.07Å
159M94.7Very high92.5Very high0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-64.6-44.3178.1-72.9-66.5-68.200112.1A155 L156 E157 K161 S162 Y163 M172 I175 I176 W205 W208A155-M159 WeakPolarHBondContact O-CG 3.49Å; A155-M159 PolarHBondContact O-N 2.74Å; L156-M159 PolarHBondContact O-N 3.29Å; E157-M159 PolarHBondContact O-N 2.89Å; M159-K161 VanDerWaalsContact C-N 3.33Å; M159-K161 PolarHBondContact O-N 3.5Å; M159-S162 PolarHBondContact O-N 3.04Å; M159-Y163 HydrophobicContact CE-CD2 4.12Å; M159-Y163 HydrophobicContact CE-CE2 3.87Å; M159-Y163 WeakPolarHBondContact O-CD2 3.49Å; M159-Y163 PolarHBondContact O-N 2.82Å; M159-Y163 HydrophobicContact SD-CE2 4.25Å; M159-M172 HydrophobicContact CB-CB 4.44Å; M159-M172 HydrophobicContact CB-CG 4.42Å; M159-M172 HydrophobicContact CB-SD 3.74Å; M159-M172 HydrophobicContact CE-SD 4Å; M159-I175 HydrophobicContact CE-CG2 4.03Å; M159-I176 HydrophobicContact CB-CD1 3.97Å; M159-I176 HydrophobicContact CG-CD1 3.63Å; M159-I176 HydrophobicContact CG-CG1 3.78Å; M159-W205 VanDerWaalsContact SD-CA 3.57Å; M159-W205 HydrophobicContact SD-CB 3.69Å; M159-W205 HydrophobicContact SD-CG 4.4Å; M159-W208 HydrophobicContact CE-CB 4.14Å; M159-W208 HydrophobicContact CE-CG 4.46Å
160L94Very high92.7Very high46 Ų4666.5 Ų66.524%0.24133%0.327CS..Hα-helixtrans-63.2-37.6175.8-72.9167.3000112.8L156 E157 Y163 K169 M172L156-L160 HydrophobicContact CD1-CD1 4.36Å; L156-L160 HydrophobicContact CG-CD1 4.21Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 3.39Å; E157-L160 PolarHBondContact O-N 3.09Å; L160-Y163 CarbonylContact O-C 3.57Å; L160-K169 HydrophobicContact CD1-CD 4.1Å; L160-K169 HydrophobicContact CD1-CG 4.07Å; L160-M172 HydrophobicContact CD2-CB 4.41Å; L160-M172 HydrophobicContact CD2-CG 3.74Å; L160-M172 HydrophobicContact CG-CG 4.14Å
161K93.3Very high92.8Very high150 Ų15066.7 Ų66.765%0.65233%0.327SS*.Hα-helixtrans-70.4-34.3176.2-174.6178.9179-1770111.9I153 E157 Y158 M159 Y163I153-K161 HydrophobicContact CD1-CD 4.44Å; E157-K161 VanDerWaalsContact O-CB 3.25Å; E157-K161 WeakPolarHBondContact O-CB 3.31Å; E157-K161 PolarHBondContact O-N 3.27Å; Y158-K161 PolarHBondContact O-N 3.23Å; M159-K161 VanDerWaalsContact C-N 3.33Å; M159-K161 PolarHBondContact O-N 3.5Å; K161-Y163 VanDerWaalsContact C-N 3.34Å
162S92.1Very high92.8Very high39 Ų3964 Ų6427%0.27331%0.313SS..Hα-helixtrans-73-28.4177.8-59.70000112.6Y158 M159Y158-S162 WeakPolarHBondContact O-CB 3.47Å; Y158-S162 PolarHBondContact O-N 3.12Å; Y158-S162 PolarHBondContact O-OG 3.48Å; M159-S162 PolarHBondContact O-N 3.04Å
163Y93.1Very high92.7Very high21 Ų2162.5 Ų62.58%0.08230%0.299CS..  trans-129.967.7-177.5-57-66.6000111.3M159 L160 K161 E165 V166 M172 W205 W208 Q209M159-Y163 HydrophobicContact CE-CD2 4.12Å; M159-Y163 HydrophobicContact CE-CE2 3.87Å; M159-Y163 WeakPolarHBondContact O-CD2 3.49Å; M159-Y163 PolarHBondContact O-N 2.82Å; M159-Y163 HydrophobicContact SD-CE2 4.25Å; L160-Y163 CarbonylContact O-C 3.57Å; K161-Y163 VanDerWaalsContact C-N 3.34Å; Y163-E165 VanDerWaalsContact CA-OE2 3.25Å; Y163-E165 WeakPolarHBondContact CA-OE2 3.37Å; Y163-E165 WeakPolarHBondContact CD1-OE1 3.23Å; Y163-E165 PolarHBondContact O-N 3.36Å; Y163-E165 VanDerWaalsContact O-N 3.13Å; Y163-V166 WeakPolarHBondContact O-CB 3.41Å; Y163-V166 PolarHBondContact O-N 3.29Å; Y163-M172 HydrophobicContact CD2-SD 4.37Å; Y163-W205 AromaticContact CE2-CD1 3.61Å; Y163-W205 HydrophobicContact CE2-CG 4.42Å; Y163-W205 AromaticContact CZ-CD1 3.79Å; Y163-W205 AromaticContact CZ-NE1 3.86Å; Y163-W205 PolarHBondContact OH-NE1 3.04Å; Y163-W205 PolarHBondContact OH-O 3.29Å; Y163-W208 AromaticContact CD1-CD1 3.62Å; Y163-W208 AromaticContact CD2-CD1 3.48Å; Y163-W208 VanDerWaalsContact CD2-CD1 3.48Å; Y163-W208 HydrophobicContact CD2-CG 4.17Å; Y163-W208 AromaticContact CE1-CD1 3.69Å; Y163-W208 HydrophobicContact CE2-CB 3.98Å; Y163-W208 AromaticContact CE2-CD1 3.54Å; Y163-W208 AromaticContact CE2-CG 4Å; Y163-W208 HydrophobicContact CE2-CG 4Å; Y163-W208 AromaticContact CG-CD1 3.53Å; Y163-W208 AromaticContact CG-NE1 3.8Å; Y163-W208 AromaticContact CZ-CD1 3.65Å; Y163-Q209 HydrophobicContact CE1-CG 4.46Å; Y163-Q209 WeakPolarHBondContact OH-CG 3.36Å; Y163-Q209 PolarHBondContact OH-NE2 2.92Å
164P91.4Very high92.5Very high105 Ų10566.9 Ų66.968%0.68232%0.317SS*.THydrogen-bonded Turntrans-63.7-17.6-176.528-36.2000113.6V166P164-V166 PolarHBondContact O-N 3.32Å
165E91.7Very high92.3Very high122 Ų12267 Ų6757%0.5732%0.317SS*.THydrogen-bonded Turntrans-69.6-20.4173.973.8-76.5-177.700113.3Y163 K167Y163-E165 VanDerWaalsContact CA-OE2 3.25Å; Y163-E165 WeakPolarHBondContact CA-OE2 3.37Å; Y163-E165 WeakPolarHBondContact CD1-OE1 3.23Å; Y163-E165 PolarHBondContact O-N 3.36Å; Y163-E165 VanDerWaalsContact O-N 3.13Å; E165-K167 PolarHBondContact O-N 3.01Å
166V89.9Confident92.2Very high23 Ų2367 Ų6714%0.13932%0.317CS..  trans-80.8108.7-179.4-178.90000109.7Y163 P164 M172 W208Y163-V166 WeakPolarHBondContact O-CB 3.41Å; Y163-V166 PolarHBondContact O-N 3.29Å; P164-V166 PolarHBondContact O-N 3.32Å; V166-M172 HydrophobicContact CB-CE 4.35Å; V166-M172 HydrophobicContact CG1-CE 3.93Å; V166-M172 HydrophobicContact CG1-CG 4.24Å; V166-M172 HydrophobicContact CG2-CE 4.1Å; V166-W208 HydrophobicContact CG1-CZ2 4.43Å; V166-W208 HydrophobicContact CG2-CZ2 3.76Å
167K84.6Confident92Very high193 Ų19367.7 Ų67.784%0.83933%0.325SS*.  trans-76.4-38.4-179.2-59.9-177-178.6179.60112.6E165 K169E165-K167 PolarHBondContact O-N 3.01Å; K167-K169 PolarHBondContact O-N 3.49Å
168E88.6Confident91.8Very high122 Ų12267.4 Ų67.457%0.5732%0.319SS*.  trans-86103.4-174.2-62.8-55.2145.500111.2E170 D171E168-E170 PolarHBondContact O-N 3Å; E168-E170 VanDerWaalsContact O-N 3.09Å; E168-D171 PolarHBondContact O-N 3.07Å; E168-D171 VanDerWaalsContact O-N 3.12Å
169K89.4Confident91.6Very high89 Ų8966 Ų6639%0.38731%0.314SS..Hα-helixtrans-55.9-28.1175.7-178.8165.4-175.11730112.9L156 L160 K167 D171 M172 R173L156-K169 HydrophobicContact CD1-CG 4.24Å; L156-K169 HydrophobicContact CD2-CD 4.3Å; L156-K169 HydrophobicContact CD2-CG 4.19Å; L156-K169 HydrophobicContact CG-CG 4.45Å; L160-K169 HydrophobicContact CD1-CD 4.1Å; L160-K169 HydrophobicContact CD1-CG 4.07Å; K167-K169 PolarHBondContact O-N 3.49Å; K169-D171 VanDerWaalsContact C-N 3.32Å; K169-D171 PolarHBondContact O-N 3Å; K169-M172 PolarHBondContact O-N 3.08Å; K169-R173 WeakPolarHBondContact O-CG 3.3Å; K169-R173 PolarHBondContact O-N 3.26Å; K169-R173 VanDerWaalsContact O-N 3.1Å
170E92.6Very high91.4Very high90 Ų9067.3 Ų67.342%0.42133%0.328SS..Hα-helixtrans-68.8-29.7-178.6-16258.3-160.300113E168 R173 K174E168-E170 PolarHBondContact O-N 3Å; E168-E170 VanDerWaalsContact O-N 3.09Å; E170-R173 PolarHBondContact O-N 2.93Å; E170-R173 WeakPolarHBondContact OE2-CD 3.43Å; E170-R173 IonicContact OE2-CZ 3.94Å; E170-R173 IonicContact OE2-NH1 2.74Å; E170-R173 PolarHBondContact OE2-NH1 2.96Å; E170-K174 VanDerWaalsContact O-CG 3.28Å; E170-K174 WeakPolarHBondContact O-CG 3.48Å; E170-K174 PolarHBondContact O-N 3.18Å
171D91.7Very high91.2Very high61 Ų6165.2 Ų65.233%0.32632%0.317SS..Hα-helixtrans-69.7-38.2176.9-67.1-24.3000111.3E168 K169 K174 I175 W208E168-D171 PolarHBondContact O-N 3.07Å; E168-D171 VanDerWaalsContact O-N 3.12Å; K169-D171 VanDerWaalsContact C-N 3.32Å; K169-D171 PolarHBondContact O-N 3Å; D171-K174 PolarHBondContact O-N 3.15Å; D171-K174 IonicContact OD1-NZ 3.4Å; D171-K174 PolarHBondContact OD1-NZ 3.32Å; D171-I175 PolarHBondContact O-N 3.02Å; D171-W208 HydrophobicContact CB-CH2 4.08Å
172M93.2Very high91.1Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-62.7-43.1171-65-63.49700111.3L156 M159 L160 Y163 V166 K169 K174 I175 I176 W208L156-M172 HydrophobicContact CD1-CB 3.59Å; M159-M172 HydrophobicContact CB-CB 4.44Å; M159-M172 HydrophobicContact CB-CG 4.42Å; M159-M172 HydrophobicContact CB-SD 3.74Å; M159-M172 HydrophobicContact CE-SD 4Å; L160-M172 HydrophobicContact CD2-CB 4.41Å; L160-M172 HydrophobicContact CD2-CG 3.74Å; L160-M172 HydrophobicContact CG-CG 4.14Å; Y163-M172 HydrophobicContact CD2-SD 4.37Å; V166-M172 HydrophobicContact CB-CE 4.35Å; V166-M172 HydrophobicContact CG1-CE 3.93Å; V166-M172 HydrophobicContact CG1-CG 4.24Å; V166-M172 HydrophobicContact CG2-CE 4.1Å; K169-M172 PolarHBondContact O-N 3.08Å; M172-K174 VanDerWaalsContact C-N 3.35Å; M172-K174 PolarHBondContact O-N 3.37Å; M172-I175 HydrophobicContact CE-CG2 4.38Å; M172-I175 VanDerWaalsContact O-CG2 3.28Å; M172-I175 WeakPolarHBondContact O-CG2 3.38Å; M172-I175 PolarHBondContact O-N 3.36Å; M172-I176 WeakPolarHBondContact O-CB 3.26Å; M172-I176 VanDerWaalsContact O-CD1 3.25Å; M172-I176 WeakPolarHBondContact O-CD1 3.48Å; M172-I176 WeakPolarHBondContact O-CG1 3.39Å; M172-I176 PolarHBondContact O-N 3.17Å; M172-W208 HydrophobicContact CE-CD2 3.54Å; M172-W208 HydrophobicContact CE-CE3 3.77Å; M172-W208 HydrophobicContact CE-CG 4.27Å; M172-W208 HydrophobicContact CE-CH2 3.46Å; M172-W208 VanDerWaalsContact CE-CH2 3.46Å; M172-W208 HydrophobicContact CE-CZ2 3.21Å; M172-W208 HydrophobicContact CE-CZ3 3.73Å
173R92.8Very high91Very high83 Ų8362.6 Ų62.631%0.31332%0.323SS..Hα-helixtrans-61.7-41.7175.4-69.7-163.1-174.7106-4.1112.7L156 K169 E170 G177 Q186L156-R173 HydrophobicContact CD1-CG 3.71Å; L156-R173 HydrophobicContact CD2-CG 3.67Å; L156-R173 HydrophobicContact CG-CG 4.36Å; K169-R173 WeakPolarHBondContact O-CG 3.3Å; K169-R173 PolarHBondContact O-N 3.26Å; K169-R173 VanDerWaalsContact O-N 3.1Å; E170-R173 PolarHBondContact O-N 2.93Å; E170-R173 WeakPolarHBondContact OE2-CD 3.43Å; E170-R173 IonicContact OE2-CZ 3.94Å; E170-R173 IonicContact OE2-NH1 2.74Å; E170-R173 PolarHBondContact OE2-NH1 2.96Å; R173-G177 PolarHBondContact O-N 2.93Å; R173-Q186 VanDerWaalsContact CG-OE1 3.31Å; R173-Q186 PolarHBondContact O-NE2 2.88Å
174K91.5Very high90.9Very high127 Ų12772 Ų7255%0.55236%0.359SS*.Hα-helixtrans-62.9-48179.2-75.8169.4-172.6161.50111.5E170 D171 M172 G177 R178E170-K174 VanDerWaalsContact O-CG 3.28Å; E170-K174 WeakPolarHBondContact O-CG 3.48Å; E170-K174 PolarHBondContact O-N 3.18Å; D171-K174 PolarHBondContact O-N 3.15Å; D171-K174 IonicContact OD1-NZ 3.4Å; D171-K174 PolarHBondContact OD1-NZ 3.32Å; M172-K174 VanDerWaalsContact C-N 3.35Å; M172-K174 PolarHBondContact O-N 3.37Å; K174-G177 PolarHBondContact O-N 2.94Å; K174-R178 WeakPolarHBondContact O-CB 3.4Å; K174-R178 PolarHBondContact O-N 2.76Å
175I92Very high90.9Very high6 Ų669.9 Ų69.93%0.03134%0.34CS..Hα-helixtrans-65.8-47.5179.3-173.4164000111.1F62 M159 D171 M172 G177 R178 Y179 A204 A207 W208F62-I175 HydrophobicContact CE2-CD1 3.63Å; F62-I175 HydrophobicContact CZ-CD1 4.01Å; M159-I175 HydrophobicContact CE-CG2 4.03Å; D171-I175 PolarHBondContact O-N 3.02Å; M172-I175 HydrophobicContact CE-CG2 4.38Å; M172-I175 VanDerWaalsContact O-CG2 3.28Å; M172-I175 WeakPolarHBondContact O-CG2 3.38Å; M172-I175 PolarHBondContact O-N 3.36Å; I175-G177 PolarHBondContact O-N 2.96Å; I175-R178 WeakPolarHBondContact O-CB 3.34Å; I175-R178 PolarHBondContact O-N 3.1Å; I175-Y179 HydrophobicContact CD1-CE2 4.42Å; I175-Y179 HydrophobicContact CG1-CD2 4.11Å; I175-Y179 HydrophobicContact CG1-CE2 4Å; I175-Y179 WeakPolarHBondContact O-CD2 3.34Å; I175-Y179 PolarHBondContact O-N 3.12Å; I175-A204 WeakPolarHBondContact CD1-O 3.44Å; I175-A204 HydrophobicContact CG1-CB 4.27Å; I175-A207 HydrophobicContact CD1-CB 4.47Å; I175-W208 HydrophobicContact CB-CE3 4.28Å; I175-W208 HydrophobicContact CB-CZ3 4.47Å; I175-W208 HydrophobicContact CD1-CB 4.04Å; I175-W208 HydrophobicContact CD1-CD2 4.45Å; I175-W208 HydrophobicContact CD1-CE3 3.62Å; I175-W208 HydrophobicContact CD1-CZ3 4.48Å; I175-W208 HydrophobicContact CG2-CE3 4.06Å; I175-W208 HydrophobicContact CG2-CZ3 4.35Å
176I92.8Very high91Very high0 Ų064.8 Ų64.80%032%0.316CS..Hα-helixtrans-58.8-41.2177.9-63.5164.7000110.6A155 L156 M159 M172 R178 Y179 I181 Q186A155-I176 HydrophobicContact CB-CG2 4.25Å; L156-I176 HydrophobicContact CB-CD1 4.16Å; L156-I176 HydrophobicContact CD1-CD1 3.94Å; M159-I176 HydrophobicContact CB-CD1 3.97Å; M159-I176 HydrophobicContact CG-CD1 3.63Å; M159-I176 HydrophobicContact CG-CG1 3.78Å; M172-I176 WeakPolarHBondContact O-CB 3.26Å; M172-I176 VanDerWaalsContact O-CD1 3.25Å; M172-I176 WeakPolarHBondContact O-CD1 3.48Å; M172-I176 WeakPolarHBondContact O-CG1 3.39Å; M172-I176 PolarHBondContact O-N 3.17Å; I176-R178 PolarHBondContact O-N 3.35Å; I176-Y179 PolarHBondContact O-N 2.83Å; I176-Y179 VanDerWaalsContact O-N 3.16Å; I176-I181 CarbonylContact C-O 3.48Å; I176-I181 HydrophobicContact CG2-CB 3.52Å; I176-I181 HydrophobicContact CG2-CG1 4.4Å; I176-I181 HydrophobicContact CG2-CG2 3.58Å; I176-I181 PolarHBondContact O-N 2.99Å; I176-Q186 HydrophobicContact CG2-CG 3.86Å
177G92.3Very high91.1Very high16 Ų1668.9 Ų68.917%0.16534%0.336CS..Hα-helixtrans-62.4-39.1175.400000113.4R173 K174 I175 Y179 G180 I181R173-G177 PolarHBondContact O-N 2.93Å; K174-G177 PolarHBondContact O-N 2.94Å; I175-G177 PolarHBondContact O-N 2.96Å; G177-Y179 PolarHBondContact O-N 2.85Å; G177-G180 PolarHBondContact O-N 3.37Å; G177-I181 WeakPolarHBondContact CA-O 3.36Å; G177-I181 PolarHBondContact N-O 3.38Å
178R90.8Very high91.6Very high91 Ų9160.8 Ų60.834%0.34330%0.303SS..Hα-helixtrans-60.5-30.5174.6-169.1172.6-172.5166.70.8112.2Q58 K174 I175 I176 G180Q58-R178 WeakPolarHBondContact CA-O 3.25Å; K174-R178 WeakPolarHBondContact O-CB 3.4Å; K174-R178 PolarHBondContact O-N 2.76Å; I175-R178 WeakPolarHBondContact O-CB 3.34Å; I175-R178 PolarHBondContact O-N 3.1Å; I176-R178 PolarHBondContact O-N 3.35Å; R178-G180 PolarHBondContact O-N 3.19Å
179Y91.5Very high91.9Very high1 Ų156.9 Ų56.90%0.00429%0.289CS..THydrogen-bonded Turntrans-84.59.7175-76.5-94.4000114.6Q58 F59 Y60 I175 I176 G177 R200 F203 A204 A207Q58-Y179 VanDerWaalsContact O-CA 3.28Å; Q58-Y179 WeakPolarHBondContact O-CA 3.41Å; Q58-Y179 VanDerWaalsContact O-CD1 3.23Å; Q58-Y179 WeakPolarHBondContact O-CD1 3.1Å; F59-Y179 HydrophobicContact CB-CE1 4.22Å; F59-Y179 AromaticContact CD1-CD1 3.8Å; F59-Y179 HydrophobicContact CD1-CD1 3.8Å; F59-Y179 AromaticContact CD1-CE1 3.59Å; F59-Y179 HydrophobicContact CD1-CE1 3.59Å; F59-Y179 HydrophobicContact CE1-CD1 4.14Å; F59-Y179 HydrophobicContact CE1-CE1 4.3Å; F59-Y179 HydrophobicContact CG-CD1 4.43Å; F59-Y179 HydrophobicContact CG-CE1 4.23Å; Y60-Y179 PolarHBondContact N-OH 2.88Å; Y60-Y179 PolarHBondContact O-OH 3.05Å; I175-Y179 HydrophobicContact CD1-CE2 4.42Å; I175-Y179 HydrophobicContact CG1-CD2 4.11Å; I175-Y179 HydrophobicContact CG1-CE2 4Å; I175-Y179 WeakPolarHBondContact O-CD2 3.34Å; I175-Y179 PolarHBondContact O-N 3.12Å; I176-Y179 PolarHBondContact O-N 2.83Å; I176-Y179 VanDerWaalsContact O-N 3.16Å; G177-Y179 PolarHBondContact O-N 2.85Å; Y179-R200 WeakPolarHBondContact O-CD 3.5Å; Y179-R200 PolarHBondContact O-NH1 2.82Å; Y179-F203 HydrophobicContact CD1-CB 3.81Å; Y179-F203 HydrophobicContact CE1-CB 3.48Å; Y179-F203 VanDerWaalsContact CE1-CB 3.48Å; Y179-A204 HydrophobicContact CD1-CB 4.49Å; Y179-A204 HydrophobicContact CD2-CB 3.52Å; Y179-A204 HydrophobicContact CE2-CB 4.03Å; Y179-A204 HydrophobicContact CG-CB 3.77Å; Y179-A207 HydrophobicContact CE2-CB 4.22Å; Y179-A207 WeakPolarHBondContact OH-CB 3.22Å
180G89.4Confident92.2Very high29 Ų2952.7 Ų52.730%0.29927%0.27SS..THydrogen-bonded Turntrans84.75.7176.100000114.7G177 R178G177-G180 PolarHBondContact O-N 3.37Å; R178-G180 PolarHBondContact O-N 3.19Å
181I91.4Very high92.2Very high1 Ų154.2 Ų54.21%0.00528%0.275CS..  trans-94100.6175.1-54.3-58.8000107.8A155 I176 G177 Q185 Q186 Q197 R200 V201A155-I181 HydrophobicContact CB-CG2 4.35Å; I176-I181 CarbonylContact C-O 3.48Å; I176-I181 HydrophobicContact CG2-CB 3.52Å; I176-I181 HydrophobicContact CG2-CG1 4.4Å; I176-I181 HydrophobicContact CG2-CG2 3.58Å; I176-I181 PolarHBondContact O-N 2.99Å; G177-I181 WeakPolarHBondContact CA-O 3.36Å; G177-I181 PolarHBondContact N-O 3.38Å; I181-Q185 HydrophobicContact CG2-CB 3.85Å; I181-Q186 HydrophobicContact CG2-CG 4.15Å; I181-Q186 WeakPolarHBondContact O-CG 3.36Å; I181-Q186 PolarHBondContact O-NE2 2.85Å; I181-Q197 HydrophobicContact CD1-CB 3.71Å; I181-Q197 HydrophobicContact CD1-CG 3.86Å; I181-R200 HydrophobicContact CD1-CB 4.3Å; I181-R200 HydrophobicContact CG1-CB 4.26Å; I181-V201 HydrophobicContact CG1-CG2 3.97Å
182T90.7Very high92.4Very high79 Ų7957.7 Ų57.749%0.48529%0.29SS..  trans-126.4160.7-169.861.10000113.3R184 Q185T182-R184 PolarHBondContact O-N 3.13Å; T182-Q185 WeakPolarHBondContact O-CB 3.29Å; T182-Q185 PolarHBondContact O-N 2.94Å; T182-Q185 VanDerWaalsContact O-N 3.11Å
183G89.2Confident92.3Very high56 Ų5658.1 Ų58.158%0.57729%0.292SS*.G310 helixtrans55.4-124.9174.400000113Q185 Q186G183-Q185 PolarHBondContact O-N 3.28Å; G183-Q186 PolarHBondContact O-N 3.46Å
184R90.2Very high92.1Very high218 Ų21857.3 Ų57.382%0.82330%0.299SS*.G310 helixtrans-61.1-27.4-178.2-70.1-172.8177.1-174.4-0.7113.4T182 Q186 I187 C188T182-R184 PolarHBondContact O-N 3.13Å; R184-Q186 PolarHBondContact O-N 2.58Å; R184-I187 WeakPolarHBondContact O-CG1 3.31Å; R184-I187 PolarHBondContact O-N 2.8Å; R184-C188 PolarHBondContact O-N 2.79Å
185Q92Very high91.9Very high60 Ų6054 Ų5428%0.2829%0.288SS..G310 helixtrans-66.5-24.8-179-62.6172.1-28.600112.7I181 T182 G183 I187 L193I181-Q185 HydrophobicContact CG2-CB 3.85Å; T182-Q185 WeakPolarHBondContact O-CB 3.29Å; T182-Q185 PolarHBondContact O-N 2.94Å; T182-Q185 VanDerWaalsContact O-N 3.11Å; G183-Q185 PolarHBondContact O-N 3.28Å; Q185-I187 VanDerWaalsContact C-N 3.31Å; Q185-L193 HydrophobicContact CB-CD2 4.03Å; Q185-L193 HydrophobicContact CG-CD2 4.3Å
186Q93.6Very high91.7Very high15 Ų1554.3 Ų54.37%0.0729%0.292CS..G310 helixtrans-75-22.3178-65-167.7-3.600113.2S154 L156 R173 I176 I181 G183 R184S154-Q186 VanDerWaalsContact CB-O 3.3Å; S154-Q186 WeakPolarHBondContact CB-O 3.26Å; S154-Q186 PolarHBondContact OG-O 3.26Å; L156-Q186 HydrophobicContact CB-CB 4.46Å; L156-Q186 WeakPolarHBondContact CB-O 3.23Å; L156-Q186 PolarHBondContact N-O 2.89Å; L156-Q186 VanDerWaalsContact N-O 3.16Å; R173-Q186 VanDerWaalsContact CG-OE1 3.31Å; R173-Q186 PolarHBondContact O-NE2 2.88Å; I176-Q186 HydrophobicContact CG2-CG 3.86Å; I181-Q186 HydrophobicContact CG2-CG 4.15Å; I181-Q186 WeakPolarHBondContact O-CG 3.36Å; I181-Q186 PolarHBondContact O-NE2 2.85Å; G183-Q186 PolarHBondContact O-N 3.46Å; R184-Q186 PolarHBondContact O-N 2.58Å
187I93Very high91.5Very high109 Ų10956.6 Ų56.656%0.55930%0.303SS*.THydrogen-bonded Turntrans-116.9-13-172.260.6169.6000113.4S154 L156 R184 Q185S154-I187 VanDerWaalsContact CB-C 3.47Å; S154-I187 WeakPolarHBondContact CB-O 3.46Å; L156-I187 HydrophobicContact CD2-CG2 4.44Å; R184-I187 WeakPolarHBondContact O-CG1 3.31Å; R184-I187 PolarHBondContact O-N 2.8Å; Q185-I187 VanDerWaalsContact C-N 3.31Å
188C94.9Very high91.5Very high24 Ų2457.7 Ų57.716%0.16230%0.302CS..SBendtrans-77.7151.317168.80000110.6S154 R184 M190S154-C188 VanDerWaalsContact CA-O 3.27Å; S154-C188 WeakPolarHBondContact CA-O 3.45Å; S154-C188 VanDerWaalsContact CB-O 3.27Å; S154-C188 WeakPolarHBondContact CB-O 3.37Å; R184-C188 PolarHBondContact O-N 2.79Å; C188-M190 PolarHBondContact O-N 2.83Å
189P95.5Very high91.5Very high40 Ų4053.4 Ų53.426%0.2629%0.286SS..BIsolated β-bridgetrans-54.5137.6173-28.537.2000112.7K191 Q192P189-K191 HydrophobicContact CB-CG 3.98Å; P189-K191 PolarHBondContact O-N 2.87Å; P189-K191 VanDerWaalsContact O-N 3.12Å; P189-Q192 WeakPolarHBondContact O-CB 3.4Å; P189-Q192 PolarHBondContact O-N 3.06Å
190M94.6Very high91.5Very high0 Ų054.8 Ų54.80%029%0.291CS..G310 helixtrans-64.6-17.6-175.6-72.7-170.2-6900114.1L149 D150 L151 I153 A155 Y158 C188 Q192 L193 V201L149-M190 HydrophobicContact CB-CE 3.93Å; L149-M190 HydrophobicContact CB-SD 4.45Å; L149-M190 HydrophobicContact CD1-SD 4.11Å; D150-M190 WeakPolarHBondContact O-CE 3.45Å; L151-M190 HydrophobicContact CD2-CB 4.42Å; L151-M190 PolarHBondContact O-N 3.15Å; I153-M190 HydrophobicContact CG1-CE 4.21Å; I153-M190 WeakPolarHBondContact O-CG 3.31Å; I153-M190 PolarHBondContact O-N 2.83Å; A155-M190 HydrophobicContact CB-CG 4.27Å; A155-M190 HydrophobicContact CB-SD 4.14Å; Y158-M190 HydrophobicContact CD2-CE 4.17Å; Y158-M190 HydrophobicContact CG-CE 3.9Å; C188-M190 PolarHBondContact O-N 2.83Å; M190-Q192 PolarHBondContact O-N 2.81Å; M190-L193 HydrophobicContact CB-CD1 4.27Å; M190-L193 HydrophobicContact CG-CD1 3.9Å; M190-L193 WeakPolarHBondContact O-CB 3.44Å; M190-L193 PolarHBondContact O-N 3.38Å; M190-V201 HydrophobicContact SD-CG1 3.97Å; M190-V201 HydrophobicContact SD-CG2 4.48Å
191K93.6Very high91.7Very high122 Ų12253.4 Ų53.453%0.5328%0.277SS..G310 helixtrans-59-21.4168.265.6-174.9179-173.60114L151 P189L151-K191 HydrophobicContact CB-CB 4Å; L151-K191 WeakPolarHBondContact O-CB 3.31Å; L151-K191 PolarHBondContact O-N 2.81Å; P189-K191 HydrophobicContact CB-CG 3.98Å; P189-K191 PolarHBondContact O-N 2.87Å; P189-K191 VanDerWaalsContact O-N 3.12Å
192Q94.5Very high91.8Very high134 Ų13453.4 Ų53.463%0.62628%0.277SS*.G310 helixtrans-87.4-9.1176.4-59.6-176.66.100112.9P189 M190P189-Q192 WeakPolarHBondContact O-CB 3.4Å; P189-Q192 PolarHBondContact O-N 3.06Å; M190-Q192 PolarHBondContact O-N 2.81Å
193L91.5Very high91.9Very high9 Ų949.6 Ų49.65%0.04725%0.254CS..SBendtrans-84.7146.3176.6-58.7-178.2000110.2Q185 M190 Q197 R198 V201Q185-L193 HydrophobicContact CB-CD2 4.03Å; Q185-L193 HydrophobicContact CG-CD2 4.3Å; M190-L193 HydrophobicContact CB-CD1 4.27Å; M190-L193 HydrophobicContact CG-CD1 3.9Å; M190-L193 WeakPolarHBondContact O-CB 3.44Å; M190-L193 PolarHBondContact O-N 3.38Å; L193-Q197 HydrophobicContact CB-CB 3.84Å; L193-R198 HydrophobicContact CB-CG 3.98Å; L193-V201 HydrophobicContact CD1-CG2 4.27Å
194S89.7Confident92.1Very high66 Ų6647 Ų4746%0.46223%0.226SC..  trans-68161.8170.368.30000111.4G196 Q197 R198S194-G196 VanDerWaalsContact C-N 3.3Å; S194-G196 PolarHBondContact O-N 3.27Å; S194-Q197 WeakPolarHBondContact O-CA 3.2Å; S194-Q197 WeakPolarHBondContact O-CB 3.38Å; S194-Q197 PolarHBondContact O-N 2.81Å; S194-Q197 WeakPolarHBondContact OG-CG 3.38Å; S194-Q197 PolarHBondContact OG-N 3.37Å; S194-R198 WeakPolarHBondContact O-CG 3.44Å; S194-R198 PolarHBondContact O-N 2.92Å
195D86.8Confident92.3Very high58 Ų5839.1 Ų39.131%0.3120%0.197SC..Hα-helixtrans-54.1-46.5176.9-64.7-15.2000112Q197 R198 C199 H222D195-Q197 VanDerWaalsContact C-N 3.27Å; D195-Q197 PolarHBondContact O-N 3.42Å; D195-R198 CarbonylContact O-C 3.56Å; D195-R198 WeakPolarHBondContact O-CA 3.38Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.94Å; D195-R198 IonicContact OD1-CZ 3.14Å; D195-R198 IonicContact OD1-NE 3.13Å; D195-R198 IonicContact OD1-NH2 3.46Å; D195-R198 PolarHBondContact OD1-NH2 3.12Å; D195-C199 PolarHBondContact O-N 3.22Å; D195-C199 PolarHBondContact O-SG 3.18Å; D195-H222 HydrophobicContact CB-CB 3.6Å; D195-H222 WeakPolarHBondContact CB-ND1 3.48Å; D195-H222 IonicContact OD2-CE1 3.22Å; D195-H222 PolarHBondContact OD2-CE1 3.46Å; D195-H222 IonicContact OD2-ND1 3.92Å; D195-H222 PolarHBondContact OD2-ND1 2.8Å; D195-H222 VanDerWaalsContact OD2-ND1 3.08Å
196G87.2Confident92.4Very high13 Ų1336.2 Ų36.213%0.13418%0.183CC..Hα-helixtrans-61.2-33.8176.800000113.4S194 R200 H222S194-G196 VanDerWaalsContact C-N 3.3Å; S194-G196 PolarHBondContact O-N 3.27Å; G196-R200 WeakPolarHBondContact O-CD 3.35Å; G196-R200 WeakPolarHBondContact O-CG 3.22Å; G196-R200 PolarHBondContact O-N 3.33Å; G196-R200 VanDerWaalsContact O-N 3.12Å; G196-H222 VanDerWaalsContact CA-O 3.31Å; G196-H222 WeakPolarHBondContact CA-O 3.2Å
197Q90Very high92.5Very high47 Ų4735.5 Ų35.522%0.2218%0.18CC..Hα-helixtrans-69.6-39.4172.5-74.8171.1-19.100112I181 L193 S194 D195 R200 V201I181-Q197 HydrophobicContact CD1-CB 3.71Å; I181-Q197 HydrophobicContact CD1-CG 3.86Å; L193-Q197 HydrophobicContact CB-CB 3.84Å; S194-Q197 WeakPolarHBondContact O-CA 3.2Å; S194-Q197 WeakPolarHBondContact O-CB 3.38Å; S194-Q197 PolarHBondContact O-N 2.81Å; S194-Q197 WeakPolarHBondContact OG-CG 3.38Å; S194-Q197 PolarHBondContact OG-N 3.37Å; D195-Q197 VanDerWaalsContact C-N 3.27Å; D195-Q197 PolarHBondContact O-N 3.42Å; Q197-R200 WeakPolarHBondContact O-CB 3.26Å; Q197-R200 PolarHBondContact O-N 3.33Å; Q197-V201 WeakPolarHBondContact O-CG2 3.17Å; Q197-V201 PolarHBondContact O-N 2.98Å; Q197-V201 VanDerWaalsContact O-N 3.09Å
198R91.5Very high92.5Very high40 Ų4033.4 Ų33.415%0.15117%0.165CC..Hα-helixtrans-65.9-37.2174.3-67.4-168-71.2-137.617.4112.4H146 L149 L193 S194 D195 R200 V201 S202H146-R198 HydrophobicContact CB-CB 4Å; L149-R198 HydrophobicContact CD1-CB 3.9Å; L149-R198 HydrophobicContact CD1-CG 4.39Å; L193-R198 HydrophobicContact CB-CG 3.98Å; S194-R198 WeakPolarHBondContact O-CG 3.44Å; S194-R198 PolarHBondContact O-N 2.92Å; D195-R198 CarbonylContact O-C 3.56Å; D195-R198 WeakPolarHBondContact O-CA 3.38Å; D195-R198 WeakPolarHBondContact O-CB 3.41Å; D195-R198 PolarHBondContact O-N 2.94Å; D195-R198 IonicContact OD1-CZ 3.14Å; D195-R198 IonicContact OD1-NE 3.13Å; D195-R198 IonicContact OD1-NH2 3.46Å; D195-R198 PolarHBondContact OD1-NH2 3.12Å; R198-R200 VanDerWaalsContact C-N 3.34Å; R198-R200 PolarHBondContact O-N 3.06Å; R198-V201 PolarHBondContact O-N 3.34Å; R198-S202 PolarHBondContact O-N 3.24Å; R198-S202 PolarHBondContact O-OG 3.27Å
199C90.6Very high92.4Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-58.9-45.3170.6-67.10000111Y141 D195 V201 S202 F203 L223Y141-C199 WeakPolarHBondContact OH-CB 3.4Å; Y141-C199 PolarHBondContact OH-SG 3.06Å; Y141-C199 VanDerWaalsContact OH-SG 3.38Å; D195-C199 PolarHBondContact O-N 3.22Å; D195-C199 PolarHBondContact O-SG 3.18Å; C199-V201 VanDerWaalsContact C-N 3.34Å; C199-V201 PolarHBondContact O-N 2.58Å; C199-S202 CarbonylContact O-C 3.54Å; C199-S202 WeakPolarHBondContact O-CA 3.48Å; C199-S202 VanDerWaalsContact O-CB 3.31Å; C199-S202 WeakPolarHBondContact O-CB 3.34Å; C199-S202 PolarHBondContact O-N 3.44Å; C199-F203 VanDerWaalsContact O-CD2 3.22Å; C199-F203 WeakPolarHBondContact O-CD2 3.34Å; C199-F203 PolarHBondContact O-N 3.14Å; C199-L223 HydrophobicContact CB-CD2 4.06Å
200R91.6Very high92.4Very high30 Ų3038.7 Ų38.711%0.11318%0.179CC..Hα-helixtrans-59.7-40.1176-71.7161.6-178-114.22.7113Q58 F59 Y179 I181 G196 Q197 R198 S202 F203 A204 S227Q58-R200 VanDerWaalsContact CD-NH1 3.35Å; F59-R200 HydrophobicContact CE1-CG 4.4Å; F59-R200 HydrophobicContact CZ-CG 4.03Å; Y179-R200 WeakPolarHBondContact O-CD 3.5Å; Y179-R200 PolarHBondContact O-NH1 2.82Å; I181-R200 HydrophobicContact CD1-CB 4.3Å; I181-R200 HydrophobicContact CG1-CB 4.26Å; G196-R200 WeakPolarHBondContact O-CD 3.35Å; G196-R200 WeakPolarHBondContact O-CG 3.22Å; G196-R200 PolarHBondContact O-N 3.33Å; G196-R200 VanDerWaalsContact O-N 3.12Å; Q197-R200 WeakPolarHBondContact O-CB 3.26Å; Q197-R200 PolarHBondContact O-N 3.33Å; R198-R200 VanDerWaalsContact C-N 3.34Å; R198-R200 PolarHBondContact O-N 3.06Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.88Å; R200-F203 PolarHBondContact O-N 3.07Å; R200-A204 PolarHBondContact O-N 3.43Å; R200-S227 PolarHBondContact NH2-OG 3.11Å
201V93Very high92.6Very high0 Ų038.8 Ų38.80%018%0.179CC..Hα-helixtrans-61.7-42.5172.6178.30000110.9L149 A155 Y158 I181 M190 L193 Q197 R198 C199 F203 A204 W205L149-V201 HydrophobicContact CD1-CB 4.49Å; A155-V201 HydrophobicContact CB-CG1 4.04Å; A155-V201 HydrophobicContact CB-CG2 3.67Å; Y158-V201 HydrophobicContact CD1-CG1 4.15Å; I181-V201 HydrophobicContact CG1-CG2 3.97Å; M190-V201 HydrophobicContact SD-CG1 3.97Å; M190-V201 HydrophobicContact SD-CG2 4.48Å; L193-V201 HydrophobicContact CD1-CG2 4.27Å; Q197-V201 WeakPolarHBondContact O-CG2 3.17Å; Q197-V201 PolarHBondContact O-N 2.98Å; Q197-V201 VanDerWaalsContact O-N 3.09Å; R198-V201 PolarHBondContact O-N 3.34Å; C199-V201 VanDerWaalsContact C-N 3.34Å; C199-V201 PolarHBondContact O-N 2.58Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 2.79Å; V201-A204 WeakPolarHBondContact O-CB 3.36Å; V201-A204 PolarHBondContact O-N 3.05Å; V201-W205 PolarHBondContact O-N 3.03Å
202S93.5Very high92.8Very high1 Ų133.7 Ų33.71%0.00716%0.157CC..Hα-helixtrans-63.3-38.5177.8-53.80000112R198 C199 R200 W205 L206R198-S202 PolarHBondContact O-N 3.24Å; R198-S202 PolarHBondContact O-OG 3.27Å; C199-S202 CarbonylContact O-C 3.54Å; C199-S202 WeakPolarHBondContact O-CA 3.48Å; C199-S202 VanDerWaalsContact O-CB 3.31Å; C199-S202 WeakPolarHBondContact O-CB 3.34Å; C199-S202 PolarHBondContact O-N 3.44Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.88Å; S202-W205 PolarHBondContact O-N 3.21Å; S202-L206 WeakPolarHBondContact O-CB 3.41Å; S202-L206 PolarHBondContact O-N 2.85Å
203F93.8Very high93Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-69.5-36.8173.4-79.8-72000113.1F59 F61 Y141 Y179 C199 R200 V201 W205 L206 A207 L216 P219 L223 L231F59-F203 HydrophobicContact CD1-CB 4.06Å; F59-F203 HydrophobicContact CD1-CD1 4.45Å; F59-F203 HydrophobicContact CD1-CD2 4.14Å; F59-F203 AromaticContact CD1-CG 3.98Å; F59-F203 HydrophobicContact CD1-CG 3.98Å; F59-F203 HydrophobicContact CE1-CB 3.99Å; F59-F203 AromaticContact CE1-CD2 3.46Å; F59-F203 HydrophobicContact CE1-CD2 3.46Å; F59-F203 VanDerWaalsContact CE1-CD2 3.46Å; F59-F203 HydrophobicContact CE1-CE2 4.01Å; F59-F203 AromaticContact CE1-CG 3.76Å; F59-F203 HydrophobicContact CE1-CG 3.76Å; F59-F203 HydrophobicContact CZ-CD2 4.44Å; F61-F203 HydrophobicContact CE1-CD1 4.36Å; F61-F203 AromaticContact CZ-CD1 3.98Å; F61-F203 HydrophobicContact CZ-CD1 3.98Å; F61-F203 HydrophobicContact CZ-CE1 4.29Å; Y141-F203 HydrophobicContact CD1-CZ 4.32Å; Y141-F203 AromaticContact CD2-CD1 3.96Å; Y141-F203 HydrophobicContact CD2-CD1 3.96Å; Y141-F203 HydrophobicContact CD2-CD2 4.31Å; Y141-F203 AromaticContact CD2-CE1 3.67Å; Y141-F203 HydrophobicContact CD2-CE1 3.67Å; Y141-F203 HydrophobicContact CD2-CE2 4.06Å; Y141-F203 HydrophobicContact CD2-CG 4.27Å; Y141-F203 AromaticContact CD2-CZ 3.72Å; Y141-F203 HydrophobicContact CD2-CZ 3.72Å; Y141-F203 HydrophobicContact CE1-CE2 4.39Å; Y141-F203 HydrophobicContact CE1-CZ 4.21Å; Y141-F203 HydrophobicContact CE2-CD1 4.17Å; Y141-F203 AromaticContact CE2-CD2 3.68Å; Y141-F203 HydrophobicContact CE2-CD2 3.68Å; Y141-F203 AromaticContact CE2-CE1 3.96Å; Y141-F203 HydrophobicContact CE2-CE1 3.96Å; Y141-F203 AromaticContact CE2-CE2 3.45Å; Y141-F203 HydrophobicContact CE2-CE2 3.45Å; Y141-F203 VanDerWaalsContact CE2-CE2 3.45Å; Y141-F203 HydrophobicContact CE2-CG 4.05Å; Y141-F203 AromaticContact CE2-CZ 3.59Å; Y141-F203 HydrophobicContact CE2-CZ 3.59Å; Y141-F203 HydrophobicContact CG-CE1 4.09Å; Y141-F203 HydrophobicContact CG-CZ 4.08Å; Y141-F203 AromaticContact CZ-CE2 3.64Å; Y141-F203 AromaticContact CZ-CZ 3.85Å; Y179-F203 HydrophobicContact CD1-CB 3.81Å; Y179-F203 HydrophobicContact CE1-CB 3.48Å; Y179-F203 VanDerWaalsContact CE1-CB 3.48Å; C199-F203 VanDerWaalsContact O-CD2 3.22Å; C199-F203 WeakPolarHBondContact O-CD2 3.34Å; C199-F203 PolarHBondContact O-N 3.14Å; R200-F203 PolarHBondContact O-N 3.07Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 2.79Å; F203-W205 VanDerWaalsContact C-N 3.34Å; F203-L206 HydrophobicContact CD1-CD2 4.44Å; F203-L206 PolarHBondContact O-N 3.3Å; F203-A207 WeakPolarHBondContact O-CB 3.43Å; F203-A207 PolarHBondContact O-N 2.86Å; F203-L216 HydrophobicContact CE1-CD2 4.44Å; F203-P219 HydrophobicContact CZ-CB 3.91Å; F203-L223 HydrophobicContact CE2-CD1 4.23Å; F203-L231 HydrophobicContact CD1-CD1 4.31Å; F203-L231 HydrophobicContact CE1-CD1 3.76Å; F203-L231 HydrophobicContact CE1-CD2 4.46Å; F203-L231 HydrophobicContact CZ-CD1 3.97Å; F203-L231 HydrophobicContact CZ-CD2 3.92Å
204A93.5Very high93.3Very high0 Ų026.9 Ų26.90%013%0.125CC..Hα-helixtrans-61.3-44.6173.300000111.4I175 Y179 R200 V201 A207 W208I175-A204 WeakPolarHBondContact CD1-O 3.44Å; I175-A204 HydrophobicContact CG1-CB 4.27Å; Y179-A204 HydrophobicContact CD1-CB 4.49Å; Y179-A204 HydrophobicContact CD2-CB 3.52Å; Y179-A204 HydrophobicContact CE2-CB 4.03Å; Y179-A204 HydrophobicContact CG-CB 3.77Å; R200-A204 PolarHBondContact O-N 3.43Å; V201-A204 WeakPolarHBondContact O-CB 3.36Å; V201-A204 PolarHBondContact O-N 3.05Å; A204-A207 PolarHBondContact O-N 3.28Å; A204-W208 PolarHBondContact O-N 2.82Å; A204-W208 VanDerWaalsContact O-N 3.13Å
205W94Very high93.7Very high53 Ų5323.7 Ų23.720%0.20110%0.103CC..Hα-helixtrans-58.6-50.3172.9173.686000111.5L145 Y158 M159 Y163 V201 S202 F203 A207 W208 Q209L145-W205 HydrophobicContact CD1-CZ3 4.27Å; L145-W205 HydrophobicContact CD2-CE3 4.24Å; L145-W205 HydrophobicContact CD2-CZ3 4.06Å; Y158-W205 HydrophobicContact CE1-CB 4.18Å; Y158-W205 AromaticContact CE1-CD1 3.8Å; Y158-W205 HydrophobicContact CE1-CG 4.07Å; M159-W205 VanDerWaalsContact SD-CA 3.57Å; M159-W205 HydrophobicContact SD-CB 3.69Å; M159-W205 HydrophobicContact SD-CG 4.4Å; Y163-W205 AromaticContact CE2-CD1 3.61Å; Y163-W205 HydrophobicContact CE2-CG 4.42Å; Y163-W205 AromaticContact CZ-CD1 3.79Å; Y163-W205 AromaticContact CZ-NE1 3.86Å; Y163-W205 PolarHBondContact OH-NE1 3.04Å; Y163-W205 PolarHBondContact OH-O 3.29Å; V201-W205 PolarHBondContact O-N 3.03Å; S202-W205 PolarHBondContact O-N 3.21Å; F203-W205 VanDerWaalsContact C-N 3.34Å; W205-A207 PolarHBondContact O-N 3.32Å; W205-W208 PolarHBondContact O-N 2.83Å; W205-Q209 VanDerWaalsContact CZ3-NE2 3.26Å
206L94.6Very high94.2Very high0 Ų021 Ų210%09%0.088CC..Hα-helixtrans-60-44.6180178.760.4000112.3F61 G139 Y141 S202 F203 W208 Q209 L214 L216F61-L206 HydrophobicContact CE1-CD2 4.31Å; F61-L206 HydrophobicContact CE1-CG 4.48Å; G139-L206 VanDerWaalsContact CA-CD1 3.47Å; Y141-L206 HydrophobicContact CD2-CD2 4.33Å; S202-L206 WeakPolarHBondContact O-CB 3.41Å; S202-L206 PolarHBondContact O-N 2.85Å; F203-L206 HydrophobicContact CD1-CD2 4.44Å; F203-L206 PolarHBondContact O-N 3.3Å; L206-W208 VanDerWaalsContact C-N 3.33Å; L206-W208 PolarHBondContact O-N 3.29Å; L206-Q209 WeakPolarHBondContact O-CB 3.48Å; L206-Q209 PolarHBondContact O-N 2.86Å; L206-L214 HydrophobicContact CD1-CD2 4.44Å; L206-L214 HydrophobicContact CD2-CD2 4.09Å; L206-L214 HydrophobicContact CG-CD2 4.22Å; L206-L216 HydrophobicContact CD2-CD2 4.35Å
207A94.3Very high94.5Very high0 Ų020.9 Ų20.90%09%0.085CC..Hα-helixtrans-65.9-35.6-179.500000112.6F61 F62 I175 Y179 F203 A204 W205 Q209 R210F61-A207 HydrophobicContact CD1-CB 3.99Å; F61-A207 HydrophobicContact CE1-CB 4.46Å; F62-A207 HydrophobicContact CD2-CB 4.42Å; F62-A207 WeakPolarHBondContact CD2-O 3.33Å; F62-A207 HydrophobicContact CE2-CB 4.4Å; I175-A207 HydrophobicContact CD1-CB 4.47Å; Y179-A207 HydrophobicContact CE2-CB 4.22Å; Y179-A207 WeakPolarHBondContact OH-CB 3.22Å; F203-A207 WeakPolarHBondContact O-CB 3.43Å; F203-A207 PolarHBondContact O-N 2.86Å; A204-A207 PolarHBondContact O-N 3.28Å; W205-A207 PolarHBondContact O-N 3.32Å; A207-Q209 PolarHBondContact O-N 2.84Å; A207-Q209 VanDerWaalsContact O-N 3.15Å; A207-R210 PolarHBondContact O-N 2.87Å
208W94.4Very high94.7Very high64 Ų6419.4 Ų19.424%0.2428%0.078CC..Hα-helixtrans-59.3-27.3177.9-167.9-101.9000113.3M159 Y163 V166 D171 M172 I175 A204 W205 L206 R210M159-W208 HydrophobicContact CE-CB 4.14Å; M159-W208 HydrophobicContact CE-CG 4.46Å; Y163-W208 AromaticContact CD1-CD1 3.62Å; Y163-W208 AromaticContact CD2-CD1 3.48Å; Y163-W208 VanDerWaalsContact CD2-CD1 3.48Å; Y163-W208 HydrophobicContact CD2-CG 4.17Å; Y163-W208 AromaticContact CE1-CD1 3.69Å; Y163-W208 HydrophobicContact CE2-CB 3.98Å; Y163-W208 AromaticContact CE2-CD1 3.54Å; Y163-W208 AromaticContact CE2-CG 4Å; Y163-W208 HydrophobicContact CE2-CG 4Å; Y163-W208 AromaticContact CG-CD1 3.53Å; Y163-W208 AromaticContact CG-NE1 3.8Å; Y163-W208 AromaticContact CZ-CD1 3.65Å; V166-W208 HydrophobicContact CG1-CZ2 4.43Å; V166-W208 HydrophobicContact CG2-CZ2 3.76Å; D171-W208 HydrophobicContact CB-CH2 4.08Å; M172-W208 HydrophobicContact CE-CD2 3.54Å; M172-W208 HydrophobicContact CE-CE3 3.77Å; M172-W208 HydrophobicContact CE-CG 4.27Å; M172-W208 HydrophobicContact CE-CH2 3.46Å; M172-W208 VanDerWaalsContact CE-CH2 3.46Å; M172-W208 HydrophobicContact CE-CZ2 3.21Å; M172-W208 HydrophobicContact CE-CZ3 3.73Å; I175-W208 HydrophobicContact CB-CE3 4.28Å; I175-W208 HydrophobicContact CB-CZ3 4.47Å; I175-W208 HydrophobicContact CD1-CB 4.04Å; I175-W208 HydrophobicContact CD1-CD2 4.45Å; I175-W208 HydrophobicContact CD1-CE3 3.62Å; I175-W208 HydrophobicContact CD1-CZ3 4.48Å; I175-W208 HydrophobicContact CG2-CE3 4.06Å; I175-W208 HydrophobicContact CG2-CZ3 4.35Å; A204-W208 PolarHBondContact O-N 2.82Å; A204-W208 VanDerWaalsContact O-N 3.13Å; W205-W208 PolarHBondContact O-N 2.83Å; L206-W208 VanDerWaalsContact C-N 3.33Å; L206-W208 PolarHBondContact O-N 3.29Å; W208-R210 PolarHBondContact O-N 3.22Å; W208-R210 VanDerWaalsContact O-N 3.17Å
209Q93.1Very high94.7Very high55 Ų5517.5 Ų17.526%0.2577%0.071SC..THydrogen-bonded Turntrans-66.3-16.8177.7-58.1176.91200113.4Y163 W205 L206 A207Y163-Q209 HydrophobicContact CE1-CG 4.46Å; Y163-Q209 WeakPolarHBondContact OH-CG 3.36Å; Y163-Q209 PolarHBondContact OH-NE2 2.92Å; W205-Q209 VanDerWaalsContact CZ3-NE2 3.26Å; L206-Q209 WeakPolarHBondContact O-CB 3.48Å; L206-Q209 PolarHBondContact O-N 2.86Å; A207-Q209 PolarHBondContact O-N 2.84Å; A207-Q209 VanDerWaalsContact O-N 3.15Å
210R95.4Very high94.7Very high121 Ų12118.3 Ų18.346%0.4578%0.076SC..  trans49.659.7-172.4-55.4-174.966.5-178.10111.2F62 D63 A207 W208F62-R210 HydrophobicContact CB-CG 4.01Å; F62-R210 HydrophobicContact CD2-CG 4.36Å; F62-R210 HydrophobicContact CG-CG 4.39Å; D63-R210 PolarHBondContact O-NE 3.3Å; D63-R210 PolarHBondContact O-NH2 3.41Å; A207-R210 PolarHBondContact O-N 2.87Å; W208-R210 PolarHBondContact O-N 3.22Å; W208-R210 VanDerWaalsContact O-N 3.17Å
211P97.6Very high94.5Very high1 Ų119.1 Ų19.11%0.0068%0.082CC..  trans-69.9140.8-17730.3-34.5000111P64 K137 G139 L214 F238P64-P211 VanDerWaalsContact CB-O 3.31Å; P64-P211 WeakPolarHBondContact CB-O 3.38Å; K137-P211 CarbonylContact O-C 3.57Å; G139-P211 VanDerWaalsContact N-CB 3.26Å; P211-L214 HydrophobicContact CB-CD2 4.23Å; P211-L214 HydrophobicContact CG-CD2 3.42Å; P211-L214 VanDerWaalsContact CG-CD2 3.42Å; P211-L214 HydrophobicContact CG-CG 4.2Å; P211-F238 WeakPolarHBondContact O-CE2 3.44Å; P211-F238 WeakPolarHBondContact O-CZ 3.45Å
212H98.3Very high94.1Very high15 Ų1523.5 Ų23.57%0.06910%0.103CC..SBendtrans-79.1-32.5172.2-61.487.4000111.8P64 I67 L98 H135 V136 K137 G240 G241P64-H212 HydrophobicContact CB-CB 4.28Å; P64-H212 PolarHBondContact O-NE2 3.19Å; I67-H212 HydrophobicContact CD1-CB 4.21Å; I67-H212 WeakPolarHBondContact CD1-CD2 3.48Å; I67-H212 VanDerWaalsContact CD1-NE2 3.35Å; I67-H212 WeakPolarHBondContact CD1-NE2 3.42Å; L98-H212 HydrophobicContact CD2-CB 3.91Å; H135-H212 PolarHBondContact O-CE1 2.65Å; V136-H212 HydrophobicContact CG2-CB 3.98Å; K137-H212 WeakPolarHBondContact CB-ND1 3.31Å; K137-H212 PolarHBondContact N-ND1 2.94Å; K137-H212 PolarHBondContact O-N 3.08Å; H212-G240 CarbonylContact O-C 3.59Å; H212-G240 WeakPolarHBondContact O-CA 3.26Å; H212-G241 PolarHBondContact O-N 3.35Å
213I98.4Very high93.8Very high0 Ų024.3 Ų24.30%011%0.107CC..EExtended strand (participates in β ladder)trans-124125.3176.4-53.9-63.1000108.9V71 I72 I96 L98 V136 K137 I138 G139 L215 G241V71-I213 HydrophobicContact CG1-CD1 4.23Å; V71-I213 HydrophobicContact CG1-CG1 4.28Å; I72-I213 HydrophobicContact CD1-CG1 4.21Å; I96-I213 HydrophobicContact CG2-CD1 4.01Å; I96-I213 HydrophobicContact CG2-CG2 4.28Å; L98-I213 HydrophobicContact CD2-CD1 4.25Å; V136-I213 HydrophobicContact CG2-CG1 4.01Å; K137-I213 PolarHBondContact O-N 3.32Å; K137-I213 VanDerWaalsContact O-N 3.13Å; I138-I213 WeakPolarHBondContact CA-O 3.38Å; I138-I213 HydrophobicContact CG1-CB 4.42Å; G139-I213 PolarHBondContact N-O 2.96Å; I213-L215 HydrophobicContact CG2-CD2 3.9Å; I213-G241 CarbonylContact C-O 3.55Å; I213-G241 VanDerWaalsContact CA-O 3.23Å; I213-G241 WeakPolarHBondContact CA-O 3.47Å
214L98.1Very high93.5Very high0 Ų028.5 Ų28.50%013%0.129CC..EExtended strand (participates in β ladder)trans-95.6125172.3-73.6176.2000110.9F61 G139 L206 P211 L216 F238 G241 M242 L243F61-L214 HydrophobicContact CD1-CD1 3.86Å; F61-L214 HydrophobicContact CD1-CD2 4.21Å; F61-L214 HydrophobicContact CD2-CD1 3.87Å; F61-L214 HydrophobicContact CE1-CD1 3.95Å; F61-L214 HydrophobicContact CE1-CD2 4.11Å; F61-L214 HydrophobicContact CE2-CD1 3.96Å; F61-L214 HydrophobicContact CG-CD1 3.82Å; F61-L214 HydrophobicContact CZ-CD1 3.99Å; G139-L214 CarbonylContact O-C 3.6Å; G139-L214 WeakPolarHBondContact O-CA 3.43Å; L206-L214 HydrophobicContact CD1-CD2 4.44Å; L206-L214 HydrophobicContact CD2-CD2 4.09Å; L206-L214 HydrophobicContact CG-CD2 4.22Å; P211-L214 HydrophobicContact CB-CD2 4.23Å; P211-L214 HydrophobicContact CG-CD2 3.42Å; P211-L214 VanDerWaalsContact CG-CD2 3.42Å; P211-L214 HydrophobicContact CG-CG 4.2Å; L214-L216 HydrophobicContact CB-CG 4.39Å; L214-F238 HydrophobicContact CB-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CD1 3.56Å; L214-F238 HydrophobicContact CD1-CD2 4.49Å; L214-F238 HydrophobicContact CD1-CE1 3.51Å; L214-F238 HydrophobicContact CD1-CE2 4.46Å; L214-F238 HydrophobicContact CD1-CG 4.06Å; L214-F238 HydrophobicContact CD1-CZ 3.98Å; L214-F238 HydrophobicContact CG-CD1 4.17Å; L214-F238 HydrophobicContact CG-CE1 3.57Å; L214-F238 HydrophobicContact CG-CZ 3.84Å; L214-G241 PolarHBondContact N-O 2.84Å; L214-M242 HydrophobicContact CB-CB 4.22Å; L214-M242 HydrophobicContact CB-CG 4.08Å; L214-M242 CarbonylContact O-C 3.59Å; L214-M242 VanDerWaalsContact O-CA 3.26Å; L214-M242 WeakPolarHBondContact O-CA 3.45Å; L214-L243 PolarHBondContact O-N 3.34Å
215L97.9Very high93.1Very high0 Ų033.1 Ų33.10%015%0.152CC..EExtended strand (participates in β ladder)trans-109.1105.7171.3-54.3-175.1000107.9L116 I119 I138 G139 R140 Y141 I213 L243L116-L215 HydrophobicContact CB-CD1 4.49Å; L116-L215 HydrophobicContact CD2-CB 4.25Å; L116-L215 HydrophobicContact CD2-CD2 4.09Å; I119-L215 HydrophobicContact CB-CD1 4.35Å; I119-L215 HydrophobicContact CG2-CD1 4.12Å; I119-L215 HydrophobicContact CG2-CD2 4.13Å; I138-L215 HydrophobicContact CG2-CD1 3.48Å; I138-L215 VanDerWaalsContact CG2-CD1 3.48Å; I138-L215 HydrophobicContact CG2-CG 3.69Å; G139-L215 PolarHBondContact O-N 2.77Å; R140-L215 CarbonylContact C-O 3.08Å; R140-L215 VanDerWaalsContact CA-O 3.31Å; R140-L215 WeakPolarHBondContact CA-O 3.24Å; R140-L215 HydrophobicContact CB-CB 4.21Å; R140-L215 HydrophobicContact CG-CB 4.05Å; Y141-L215 PolarHBondContact N-O 3.1Å; I213-L215 HydrophobicContact CG2-CD2 3.9Å; L215-L243 HydrophobicContact CD2-CB 3.84Å; L215-L243 HydrophobicContact CD2-CD1 3.78Å; L215-L243 HydrophobicContact CD2-CG 3.9Å
216L96.8Very high92.7Very high0 Ų036.9 Ų36.90%017%0.172CC..EExtended strand (participates in β ladder)trans-108.9111.8-175.4-57.4178.3000109.4F203 L206 L214 P219 I235 M242 L243 L244 V245F203-L216 HydrophobicContact CE1-CD2 4.44Å; L206-L216 HydrophobicContact CD2-CD2 4.35Å; L214-L216 HydrophobicContact CB-CG 4.39Å; L216-P219 HydrophobicContact CB-CB 4.29Å; L216-P219 HydrophobicContact CB-CG 4.02Å; L216-I235 HydrophobicContact CD1-CD1 3.49Å; L216-I235 VanDerWaalsContact CD1-CD1 3.49Å; L216-I235 HydrophobicContact CD1-CG1 4.13Å; L216-M242 HydrophobicContact CD1-CG 4.25Å; L216-L243 PolarHBondContact N-O 2.9Å; L216-L244 HydrophobicContact CB-CD1 3.78Å; L216-L244 HydrophobicContact CD1-CD1 4.45Å; L216-L244 CarbonylContact O-C 3.55Å; L216-L244 WeakPolarHBondContact O-CA 3.31Å; L216-V245 PolarHBondContact O-N 2.69Å
217D94.9Very high92.3Very high11 Ų1137 Ų376%0.05917%0.173CC..EExtended strand (participates in β ladder)trans-110.4104.7179.9-158.9-2.6000110T113 L116 R140 Y141 Q143 V245T113-D217 WeakPolarHBondContact CB-OD2 3.38Å; T113-D217 VanDerWaalsContact CG2-OD2 3.26Å; T113-D217 WeakPolarHBondContact CG2-OD2 3Å; T113-D217 PolarHBondContact OG1-OD2 2.84Å; L116-D217 HydrophobicContact CD1-CB 3.72Å; R140-D217 IonicContact NH2-OD2 2.92Å; Y141-D217 PolarHBondContact O-N 2.9Å; Q143-D217 PolarHBondContact N-O 3.42Å; D217-V245 WeakPolarHBondContact OD1-CB 3.32Å; D217-V245 WeakPolarHBondContact OD1-CG1 3.47Å
218E93.3Very high92.1Very high17 Ų1737.3 Ų37.38%0.07917%0.174CC..SBendtrans47.460.6-172.8-63-63.5163.100114T220 N221 V245 S246 H247E218-T220 VanDerWaalsContact C-N 3.25Å; E218-T220 PolarHBondContact O-N 3.33Å; E218-N221 VanDerWaalsContact CB-ND2 3.34Å; E218-N221 WeakPolarHBondContact CB-ND2 3.46Å; E218-N221 PolarHBondContact O-ND2 2.74Å; E218-V245 WeakPolarHBondContact CA-O 3.37Å; E218-V245 PolarHBondContact N-O 2.96Å; E218-S246 VanDerWaalsContact OE1-CA 3.26Å; E218-S246 WeakPolarHBondContact OE1-CA 3.49Å; E218-S246 WeakPolarHBondContact OE2-CA 3.1Å; E218-S246 PolarHBondContact OE2-OG 2.76Å; E218-H247 IonicContact OE1-CD2 2.77Å; E218-H247 PolarHBondContact OE1-CD2 2.67Å; E218-H247 IonicContact OE1-CG 3.38Å; E218-H247 PolarHBondContact OE1-N 3.41Å; E218-H247 IonicContact OE1-NE2 3.96Å; E218-H247 PolarHBondContact OE2-N 3.15Å; E218-H247 VanDerWaalsContact OE2-N 3.12Å
219P92.9Very high92Very high0 Ų037 Ų370%018%0.177CC..THydrogen-bonded Turntrans-72.9-13-173.732.6-38.7000114.4Y141 F203 L216 L223 L231 L244 L251Y141-P219 HydrophobicContact CD1-CB 4.08Å; Y141-P219 HydrophobicContact CE1-CB 4.34Å; F203-P219 HydrophobicContact CZ-CB 3.91Å; L216-P219 HydrophobicContact CB-CB 4.29Å; L216-P219 HydrophobicContact CB-CG 4.02Å; P219-L223 WeakPolarHBondContact O-CD1 3.48Å; P219-L231 HydrophobicContact CB-CD2 3.98Å; P219-L231 HydrophobicContact CG-CD2 4.32Å; P219-L244 HydrophobicContact CG-CD1 3.6Å; P219-L251 HydrophobicContact CG-CD2 3.71Å
220T90.3Very high91.9Very high16 Ų1635.2 Ų35.210%0.09817%0.172CC..THydrogen-bonded Turntrans-84.1-10.5-176.355.70000113.7E218 H222 L223 I228 D248 L251E218-T220 VanDerWaalsContact C-N 3.25Å; E218-T220 PolarHBondContact O-N 3.33Å; T220-H222 PolarHBondContact O-N 3.1Å; T220-L223 WeakPolarHBondContact O-CB 3.36Å; T220-L223 PolarHBondContact O-N 3.21Å; T220-I228 HydrophobicContact CG2-CD1 4.26Å; T220-I228 HydrophobicContact CG2-CG1 4.04Å; T220-I228 HydrophobicContact CG2-CG2 4.25Å; T220-D248 HydrophobicContact CG2-CB 3.92Å; T220-L251 HydrophobicContact CG2-CB 4.06Å; T220-L251 HydrophobicContact CG2-CD2 3.44Å; T220-L251 VanDerWaalsContact CG2-CD2 3.44Å; T220-L251 HydrophobicContact CG2-CG 4.32Å
221N86.4Confident91.8Very high47 Ų4729.5 Ų29.525%0.25115%0.15SC..THydrogen-bonded Turntrans-57132.2178.5-71.2-37.6000110.9Q143 E218 L223Q143-N221 WeakPolarHBondContact CG-ND2 3.41Å; Q143-N221 PolarHBondContact NE2-ND2 3.39Å; E218-N221 VanDerWaalsContact CB-ND2 3.34Å; E218-N221 WeakPolarHBondContact CB-ND2 3.46Å; E218-N221 PolarHBondContact O-ND2 2.74Å; N221-L223 PolarHBondContact O-N 3Å; N221-L223 VanDerWaalsContact O-N 3.15Å
222H85Confident91.7Very high93 Ų9329.6 Ų29.643%0.43115%0.151SC..THydrogen-bonded Turntrans645.2-177.6-44.3-88.5000116H146 D195 G196 T220H146-H222 AromaticContact CE1-CD2 3.68Å; H146-H222 AromaticContact CE1-NE2 3.6Å; H146-H222 AromaticContact NE2-CD2 3.9Å; H146-H222 AromaticContact NE2-NE2 3.71Å; D195-H222 HydrophobicContact CB-CB 3.6Å; D195-H222 WeakPolarHBondContact CB-ND1 3.48Å; D195-H222 IonicContact OD2-CE1 3.22Å; D195-H222 PolarHBondContact OD2-CE1 3.46Å; D195-H222 IonicContact OD2-ND1 3.92Å; D195-H222 PolarHBondContact OD2-ND1 2.8Å; D195-H222 VanDerWaalsContact OD2-ND1 3.08Å; G196-H222 VanDerWaalsContact CA-O 3.31Å; G196-H222 WeakPolarHBondContact CA-O 3.2Å; T220-H222 PolarHBondContact O-N 3.1Å
223L86.6Confident91.5Very high18 Ų1832.9 Ų32.99%0.09417%0.167CC..  trans-90.2139.9172.3-62.8-172.6000110.6F59 C199 F203 P219 T220 N221 I228 L231F59-L223 HydrophobicContact CZ-CD1 4.3Å; F59-L223 HydrophobicContact CZ-CD2 4.3Å; C199-L223 HydrophobicContact CB-CD2 4.06Å; F203-L223 HydrophobicContact CE2-CD1 4.23Å; P219-L223 WeakPolarHBondContact O-CD1 3.48Å; T220-L223 WeakPolarHBondContact O-CB 3.36Å; T220-L223 PolarHBondContact O-N 3.21Å; N221-L223 PolarHBondContact O-N 3Å; N221-L223 VanDerWaalsContact O-N 3.15Å; L223-I228 HydrophobicContact CB-CG1 3.94Å; L223-L231 HydrophobicContact CD1-CD2 4.1Å
224D87.1Confident91.3Very high88 Ų8833.1 Ų33.147%0.47117%0.169SC..  trans-78.7169.9168.761.123.8000111.1E226 S227 I228D224-E226 VanDerWaalsContact C-N 3.27Å; D224-E226 PolarHBondContact O-N 3.22Å; D224-E226 PolarHBondContact OD1-N 2.78Å; D224-S227 WeakPolarHBondContact O-CB 3.36Å; D224-S227 PolarHBondContact O-N 3.29Å; D224-S227 VanDerWaalsContact O-N 3.13Å; D224-S227 WeakPolarHBondContact OD1-CB 3.26Å; D224-S227 PolarHBondContact OD1-N 3.03Å; D224-S227 PolarHBondContact OD1-OG 3.03Å; D224-I228 WeakPolarHBondContact O-CG1 3.38Å; D224-I228 PolarHBondContact O-N 2.94Å
225M85.3Confident91.2Very high97 Ų9733.1 Ų33.148%0.47817%0.169SC..Hα-helixtrans-58.6-38.1-177.4-66.6-57-56.700113.1I228 D229 R250M225-I228 PolarHBondContact O-N 3.35Å; M225-I228 HydrophobicContact SD-CD1 4.3Å; M225-D229 PolarHBondContact O-N 2.83Å; M225-R250 VanDerWaalsContact CE-CD 3.43Å; M225-R250 VanDerWaalsContact CE-NH1 3.3Å
226E86.4Confident91.1Very high132 Ų13237.3 Ų37.362%0.61719%0.191SC*.Hα-helixtrans-67.1-39.1178.7-64.2-175.7175.600111.3D224 A230D224-E226 VanDerWaalsContact C-N 3.27Å; D224-E226 PolarHBondContact O-N 3.22Å; D224-E226 PolarHBondContact OD1-N 2.78Å; E226-A230 WeakPolarHBondContact O-CB 3.45Å; E226-A230 PolarHBondContact O-N 3.05Å
227S86.9Confident90.9Very high2 Ų241.2 Ų41.21%0.01421%0.212CC..Hα-helixtrans-68.6-36.1175.8-580000112F59 R200 D224 A230 L231F59-S227 WeakPolarHBondContact CE2-O 3.37Å; R200-S227 PolarHBondContact NH2-OG 3.11Å; D224-S227 WeakPolarHBondContact O-CB 3.36Å; D224-S227 PolarHBondContact O-N 3.29Å; D224-S227 VanDerWaalsContact O-N 3.13Å; D224-S227 WeakPolarHBondContact OD1-CB 3.26Å; D224-S227 PolarHBondContact OD1-N 3.03Å; D224-S227 PolarHBondContact OD1-OG 3.03Å; S227-A230 PolarHBondContact O-N 3.08Å; S227-L231 WeakPolarHBondContact O-CB 3.44Å; S227-L231 PolarHBondContact O-N 2.76Å
228I90.3Very high91Very high7 Ų740.8 Ų40.84%0.03621%0.21CC..Hα-helixtrans-64.6-47.2175.3-66.9165.6000110.3T220 L223 D224 M225 A230 L231 A232 L251T220-I228 HydrophobicContact CG2-CD1 4.26Å; T220-I228 HydrophobicContact CG2-CG1 4.04Å; T220-I228 HydrophobicContact CG2-CG2 4.25Å; L223-I228 HydrophobicContact CB-CG1 3.94Å; D224-I228 WeakPolarHBondContact O-CG1 3.38Å; D224-I228 PolarHBondContact O-N 2.94Å; M225-I228 PolarHBondContact O-N 3.35Å; M225-I228 HydrophobicContact SD-CD1 4.3Å; I228-A230 VanDerWaalsContact C-N 3.3Å; I228-A230 PolarHBondContact O-N 2.78Å; I228-L231 PolarHBondContact O-N 2.93Å; I228-A232 WeakPolarHBondContact O-CB 3.29Å; I228-A232 PolarHBondContact O-N 3.12Å; I228-L251 HydrophobicContact CG2-CB 4.21Å; I228-L251 HydrophobicContact CG2-CD1 4.46Å
229D91.4Very high91.1Very high56 Ų5646.4 Ų46.430%0.29924%0.236SC..Hα-helixtrans-62.3-39.3176.7-72.4-30000111.1M225 A232 E233 R250 Q254M225-D229 PolarHBondContact O-N 2.83Å; D229-A232 PolarHBondContact O-N 3.24Å; D229-E233 PolarHBondContact O-N 3.35Å; D229-R250 IonicContact OD1-CZ 2.78Å; D229-R250 IonicContact OD1-NE 3.78Å; D229-R250 PolarHBondContact OD1-NE 3Å; D229-R250 IonicContact OD1-NH2 3.29Å; D229-R250 PolarHBondContact OD1-NH2 2.88Å; D229-R250 IonicContact OD2-CZ 3.69Å; D229-R250 IonicContact OD2-NH2 2.9Å; D229-R250 PolarHBondContact OD2-NH2 3.23Å; D229-Q254 PolarHBondContact OD1-NE2 2.81Å
230A90.9Very high91.2Very high19 Ų1946.4 Ų46.416%0.15724%0.236CC..Hα-helixtrans-67.5-36.4175.800000112.9F59 E226 S227 I228 A234F59-A230 HydrophobicContact CD2-CB 3.79Å; F59-A230 HydrophobicContact CE2-CB 4.32Å; E226-A230 WeakPolarHBondContact O-CB 3.45Å; E226-A230 PolarHBondContact O-N 3.05Å; S227-A230 PolarHBondContact O-N 3.08Å; I228-A230 VanDerWaalsContact C-N 3.3Å; I228-A230 PolarHBondContact O-N 2.78Å; A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 3.22Å
231L93.3Very high91.5Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-65.9-43.2173.2176.563.8000110.8F59 F61 F203 P219 L223 S227 I228 E233 A234 I235 L251F59-L231 HydrophobicContact CD1-CD1 4.08Å; F59-L231 HydrophobicContact CD2-CB 4.24Å; F59-L231 HydrophobicContact CE2-CB 4.48Å; F59-L231 HydrophobicContact CG-CB 4.33Å; F59-L231 HydrophobicContact CG-CD1 4.34Å; F61-L231 HydrophobicContact CE2-CD1 4.22Å; F61-L231 HydrophobicContact CZ-CD1 4.28Å; F203-L231 HydrophobicContact CD1-CD1 4.31Å; F203-L231 HydrophobicContact CE1-CD1 3.76Å; F203-L231 HydrophobicContact CE1-CD2 4.46Å; F203-L231 HydrophobicContact CZ-CD1 3.97Å; F203-L231 HydrophobicContact CZ-CD2 3.92Å; P219-L231 HydrophobicContact CB-CD2 3.98Å; P219-L231 HydrophobicContact CG-CD2 4.32Å; L223-L231 HydrophobicContact CD1-CD2 4.1Å; S227-L231 WeakPolarHBondContact O-CB 3.44Å; S227-L231 PolarHBondContact O-N 2.76Å; I228-L231 PolarHBondContact O-N 2.93Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-E233 PolarHBondContact O-N 2.83Å; L231-A234 PolarHBondContact O-N 3.27Å; L231-I235 HydrophobicContact CD1-CD1 4.01Å; L231-I235 HydrophobicContact CD1-CG1 4.23Å; L231-I235 HydrophobicContact CD2-CD1 4.46Å; L231-I235 HydrophobicContact CG-CD1 3.83Å; L231-I235 HydrophobicContact CG-CG1 4.45Å; L231-I235 WeakPolarHBondContact O-CB 3.49Å; L231-I235 VanDerWaalsContact O-CG1 3.26Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.13Å; L231-L251 HydrophobicContact CD2-CD2 4.44Å
232A95Very high92Very high3 Ų343.4 Ų43.43%0.02522%0.219CC..Hα-helixtrans-60.5-43.6176.700000111.7I228 D229 I235 N236 L251 Q254 V255I228-A232 WeakPolarHBondContact O-CB 3.29Å; I228-A232 PolarHBondContact O-N 3.12Å; D229-A232 PolarHBondContact O-N 3.24Å; A232-I235 PolarHBondContact O-N 2.8Å; A232-N236 WeakPolarHBondContact O-CB 3.34Å; A232-N236 PolarHBondContact O-N 2.9Å; A232-N236 PolarHBondContact O-ND2 2.97Å; A232-L251 HydrophobicContact CB-CD1 3.78Å; A232-Q254 HydrophobicContact CB-CB 4.05Å; A232-V255 HydrophobicContact CB-CG1 3.82Å
233E94.1Very high92.7Very high85 Ų8539 Ų3940%0.39720%0.199SC..Hα-helixtrans-59.1-48.5173.5-172.1-178.1168.700111.4K57 D229 L231 I235 N236 D237K57-E233 WeakPolarHBondContact CE-OE1 3.43Å; K57-E233 IonicContact NZ-OE1 3.22Å; K57-E233 PolarHBondContact NZ-OE1 3.2Å; D229-E233 PolarHBondContact O-N 3.35Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-E233 PolarHBondContact O-N 2.83Å; E233-I235 VanDerWaalsContact C-N 3.29Å; E233-I235 PolarHBondContact O-N 3.25Å; E233-N236 PolarHBondContact O-N 3.43Å; E233-N236 VanDerWaalsContact O-N 3.15Å; E233-D237 PolarHBondContact O-N 2.9Å
234A94.3Very high93.2Very high4 Ų438.1 Ų38.13%0.03319%0.194CC..Hα-helixtrans-62.8-35179.700000113.4F59 F61 A230 L231 F238F59-A234 VanDerWaalsContact C-CB 3.47Å; F59-A234 HydrophobicContact CB-CB 3.46Å; F59-A234 VanDerWaalsContact CB-CB 3.46Å; F59-A234 WeakPolarHBondContact O-CB 3.16Å; F61-A234 HydrophobicContact CD2-CB 4.24Å; F61-A234 HydrophobicContact CE2-CB 4.27Å; A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 3.22Å; L231-A234 PolarHBondContact O-N 3.27Å; A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 3.26Å
235I95.8Very high93.6Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-69.4-39.8175.1-76.2171.2000111.3F61 L216 L231 A232 E233 D237 F238 M242 L251 V255F61-I235 HydrophobicContact CE2-CG1 4.02Å; L216-I235 HydrophobicContact CD1-CD1 3.49Å; L216-I235 VanDerWaalsContact CD1-CD1 3.49Å; L216-I235 HydrophobicContact CD1-CG1 4.13Å; L231-I235 HydrophobicContact CD1-CD1 4.01Å; L231-I235 HydrophobicContact CD1-CG1 4.23Å; L231-I235 HydrophobicContact CD2-CD1 4.46Å; L231-I235 HydrophobicContact CG-CD1 3.83Å; L231-I235 HydrophobicContact CG-CG1 4.45Å; L231-I235 WeakPolarHBondContact O-CB 3.49Å; L231-I235 VanDerWaalsContact O-CG1 3.26Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.13Å; A232-I235 PolarHBondContact O-N 2.8Å; E233-I235 VanDerWaalsContact C-N 3.29Å; E233-I235 PolarHBondContact O-N 3.25Å; I235-D237 VanDerWaalsContact C-N 3.33Å; I235-F238 WeakPolarHBondContact O-CB 3.42Å; I235-F238 PolarHBondContact O-N 3Å; I235-M242 HydrophobicContact CB-CE 4.38Å; I235-M242 HydrophobicContact CD1-CE 4.42Å; I235-M242 HydrophobicContact CG2-CE 3.04Å; I235-L251 HydrophobicContact CD1-CD1 4.44Å; I235-V255 HydrophobicContact CB-CG1 4.05Å; I235-V255 HydrophobicContact CD1-CG1 4.46Å; I235-V255 HydrophobicContact CG2-CB 3.62Å; I235-V255 HydrophobicContact CG2-CG1 3.66Å; I235-V255 HydrophobicContact CG2-CG2 4.22Å
236N95.6Very high94Very high88 Ų8829.9 Ų29.947%0.47115%0.153SC..Hα-helixtrans-69.9-33.4178.7-77.3-27.6000112A232 E233 F238 Q254A232-N236 WeakPolarHBondContact O-CB 3.34Å; A232-N236 PolarHBondContact O-N 2.9Å; A232-N236 PolarHBondContact O-ND2 2.97Å; E233-N236 PolarHBondContact O-N 3.43Å; E233-N236 VanDerWaalsContact O-N 3.15Å; N236-F238 VanDerWaalsContact C-N 3.29Å; N236-Q254 PolarHBondContact ND2-O 3.28Å; N236-Q254 PolarHBondContact OD1-O 3.1Å
237D94.3Very high94.2Very high82 Ų8229 Ų2944%0.43915%0.148SC..SBendtrans-75-15.6173-73-7.9000112.8K57 E233 I235K57-D237 IonicContact NZ-OD2 3.81Å; K57-D237 PolarHBondContact NZ-OD2 3.3Å; E233-D237 PolarHBondContact O-N 2.9Å; I235-D237 VanDerWaalsContact C-N 3.33Å
238F95.4Very high94.4Very high3 Ų330.6 Ų30.61%0.01316%0.157CC..  trans-75.9128.7-178174-119.5000111.5F61 P64 R101 P211 L214 A234 I235 N236 G240 G241F61-F238 HydrophobicContact CB-CB 4.13Å; F61-F238 HydrophobicContact CB-CD2 3.48Å; F61-F238 VanDerWaalsContact CB-CD2 3.48Å; F61-F238 HydrophobicContact CB-CE2 4.13Å; F61-F238 HydrophobicContact CB-CG 3.99Å; F61-F238 HydrophobicContact CD2-CB 4.34Å; F61-F238 HydrophobicContact CG-CD2 4.39Å; P64-F238 HydrophobicContact CG-CE2 4.08Å; P64-F238 HydrophobicContact CG-CZ 4.44Å; R101-F238 PolarHBondContact NH2-O 3.32Å; P211-F238 WeakPolarHBondContact O-CE2 3.44Å; P211-F238 WeakPolarHBondContact O-CZ 3.45Å; L214-F238 HydrophobicContact CB-CE1 4.15Å; L214-F238 HydrophobicContact CD1-CD1 3.56Å; L214-F238 HydrophobicContact CD1-CD2 4.49Å; L214-F238 HydrophobicContact CD1-CE1 3.51Å; L214-F238 HydrophobicContact CD1-CE2 4.46Å; L214-F238 HydrophobicContact CD1-CG 4.06Å; L214-F238 HydrophobicContact CD1-CZ 3.98Å; L214-F238 HydrophobicContact CG-CD1 4.17Å; L214-F238 HydrophobicContact CG-CE1 3.57Å; L214-F238 HydrophobicContact CG-CZ 3.84Å; A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 3.26Å; I235-F238 WeakPolarHBondContact O-CB 3.42Å; I235-F238 PolarHBondContact O-N 3Å; N236-F238 VanDerWaalsContact C-N 3.29Å; F238-G240 VanDerWaalsContact CD1-O 3.29Å; F238-G240 WeakPolarHBondContact CD1-O 3.26Å; F238-G240 WeakPolarHBondContact CE1-O 3.36Å; F238-G241 WeakPolarHBondContact CE1-O 3.37Å
239E95.4Very high94.4Very high134 Ų13433.1 Ų33.163%0.62617%0.168SC*.  trans-89.5-6.9-175.1-61.8-169.5162.100114.5
240G95.8Very high94.3Very high0 Ų035.5 Ų35.50%017%0.172CC..SBendtrans-90.3171.6176.100000113.8L98 R101 H212 F238L98-G240 CarbonylContact O-C 3.33Å; R101-G240 PolarHBondContact NH1-O 2.8Å; R101-G240 PolarHBondContact NH2-O 3.49Å; H212-G240 CarbonylContact O-C 3.59Å; H212-G240 WeakPolarHBondContact O-CA 3.26Å; F238-G240 VanDerWaalsContact CD1-O 3.29Å; F238-G240 WeakPolarHBondContact CD1-O 3.26Å; F238-G240 WeakPolarHBondContact CE1-O 3.36Å
241G97.1Very high94.5Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-71.7154.3-178.400000112.4D97 L98 T100 H212 I213 L214 F238D97-G241 VanDerWaalsContact O-CA 3.29Å; D97-G241 WeakPolarHBondContact O-CA 3.47Å; L98-G241 WeakPolarHBondContact O-CA 3.37Å; L98-G241 PolarHBondContact O-N 2.92Å; L98-G241 VanDerWaalsContact O-N 3.12Å; T100-G241 CarbonylContact O-C 3.35Å; T100-G241 WeakPolarHBondContact O-CA 3.34Å; H212-G241 PolarHBondContact O-N 3.35Å; I213-G241 CarbonylContact C-O 3.55Å; I213-G241 VanDerWaalsContact CA-O 3.23Å; I213-G241 WeakPolarHBondContact CA-O 3.47Å; L214-G241 PolarHBondContact N-O 2.84Å; F238-G241 WeakPolarHBondContact CE1-O 3.37Å
242M97.1Very high94.6Very high1 Ų134.6 Ų34.61%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-146136.9178.8177.3-95.9-83.600113.3T100 V102 L214 L216 I235 L244 V255T100-M242 PolarHBondContact O-N 3.25Å; V102-M242 PolarHBondContact N-O 3.05Å; L214-M242 HydrophobicContact CB-CB 4.22Å; L214-M242 HydrophobicContact CB-CG 4.08Å; L214-M242 CarbonylContact O-C 3.59Å; L214-M242 VanDerWaalsContact O-CA 3.26Å; L214-M242 WeakPolarHBondContact O-CA 3.45Å; L216-M242 HydrophobicContact CD1-CG 4.25Å; I235-M242 HydrophobicContact CB-CE 4.38Å; I235-M242 HydrophobicContact CD1-CE 4.42Å; I235-M242 HydrophobicContact CG2-CE 3.04Å; M242-L244 HydrophobicContact SD-CB 3.63Å; M242-V255 HydrophobicContact CE-CB 4Å; M242-V255 HydrophobicContact CE-CG2 3.73Å
243L98.3Very high94.5Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-114.8125.4165.5-58.6-173.3000109.1I96 T100 V102 L104 F115 L116 I119 L214 L215 L216I96-L243 HydrophobicContact CD1-CD1 3.79Å; I96-L243 HydrophobicContact CD1-CG 4.49Å; T100-L243 HydrophobicContact CG2-CD2 4.18Å; V102-L243 HydrophobicContact CB-CD2 3.71Å; V102-L243 HydrophobicContact CG1-CD2 4.09Å; V102-L243 HydrophobicContact CG2-CD2 4.37Å; V102-L243 CarbonylContact O-C 3.57Å; V102-L243 WeakPolarHBondContact O-CA 3.34Å; L104-L243 HydrophobicContact CD1-CB 4.47Å; L104-L243 HydrophobicContact CD1-CD1 4.46Å; F115-L243 HydrophobicContact CD1-CD1 4.3Å; F115-L243 HydrophobicContact CE1-CD1 3.79Å; L116-L243 HydrophobicContact CD2-CB 3.92Å; L116-L243 HydrophobicContact CD2-CD1 4Å; I119-L243 HydrophobicContact CG1-CD1 4.34Å; L214-L243 PolarHBondContact O-N 3.34Å; L215-L243 HydrophobicContact CD2-CB 3.84Å; L215-L243 HydrophobicContact CD2-CD1 3.78Å; L215-L243 HydrophobicContact CD2-CG 3.9Å; L216-L243 PolarHBondContact N-O 2.9Å
244L97.9Very high94.5Very high0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-115125178.7175.864.9000110.5V102 A103 L104 L216 P219 M242 L251 V252 V255V102-L244 PolarHBondContact O-N 3.26Å; A103-L244 CarbonylContact C-O 3.45Å; A103-L244 WeakPolarHBondContact CA-O 3.01Å; A103-L244 HydrophobicContact CB-CB 4.44Å; L104-L244 PolarHBondContact N-O 3.14Å; L216-L244 HydrophobicContact CB-CD1 3.78Å; L216-L244 HydrophobicContact CD1-CD1 4.45Å; L216-L244 CarbonylContact O-C 3.55Å; L216-L244 WeakPolarHBondContact O-CA 3.31Å; P219-L244 HydrophobicContact CG-CD1 3.6Å; M242-L244 HydrophobicContact SD-CB 3.63Å; L244-L251 HydrophobicContact CD1-CD2 4.05Å; L244-L251 HydrophobicContact CD2-CD2 4.07Å; L244-L251 HydrophobicContact CD2-CG 4.04Å; L244-V252 HydrophobicContact CD2-CG2 3.86Å; L244-V255 HydrophobicContact CD2-CG2 3.62Å
245V96Very high94.6Very high2 Ų236.3 Ų36.31%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-104.4114.9161.11770000105.9L104 K112 L116 L216 D217 E218L104-V245 HydrophobicContact CB-CG2 3.81Å; L104-V245 HydrophobicContact CD1-CG2 4.06Å; K112-V245 HydrophobicContact CB-CG1 4.14Å; K112-V245 HydrophobicContact CB-CG2 3.97Å; K112-V245 HydrophobicContact CD-CG1 4.06Å; L116-V245 HydrophobicContact CD1-CB 4.47Å; L116-V245 HydrophobicContact CD1-CG2 3.76Å; L116-V245 HydrophobicContact CG-CG2 4.23Å; L216-V245 PolarHBondContact O-N 2.69Å; D217-V245 WeakPolarHBondContact OD1-CB 3.32Å; D217-V245 WeakPolarHBondContact OD1-CG1 3.47Å; E218-V245 WeakPolarHBondContact CA-O 3.37Å; E218-V245 PolarHBondContact N-O 2.96Å
246S93.3Very high94.5Very high9 Ų937.3 Ų37.36%0.06319%0.187CC..  trans-152.1141.8173.4-168.80000112.4E218 D248E218-S246 VanDerWaalsContact OE1-CA 3.26Å; E218-S246 WeakPolarHBondContact OE1-CA 3.49Å; E218-S246 WeakPolarHBondContact OE2-CA 3.1Å; E218-S246 PolarHBondContact OE2-OG 2.76Å; S246-D248 VanDerWaalsContact C-N 3.3Å; S246-D248 WeakPolarHBondContact OG-CB 3.34Å; S246-D248 PolarHBondContact OG-N 3.33Å
247H89.2Confident94.5Very high114 Ų11441.2 Ų41.253%0.52820%0.199SC..SBendtrans-81.6-8.6166-69.9-66.4000113.1E218 F249E218-H247 IonicContact OE1-CD2 2.77Å; E218-H247 PolarHBondContact OE1-CD2 2.67Å; E218-H247 IonicContact OE1-CG 3.38Å; E218-H247 PolarHBondContact OE1-N 3.41Å; E218-H247 IonicContact OE1-NE2 3.96Å; E218-H247 PolarHBondContact OE2-N 3.15Å; E218-H247 VanDerWaalsContact OE2-N 3.12Å; H247-F249 PolarHBondContact O-N 3.47Å
248D91.5Very high94.6Very high36 Ų3640.5 Ų40.519%0.19319%0.193CC..  trans-81.198.5176-168.7-30.1000111.2T220 S246 R250 L251 V252T220-D248 HydrophobicContact CG2-CB 3.92Å; S246-D248 VanDerWaalsContact C-N 3.3Å; S246-D248 WeakPolarHBondContact OG-CB 3.34Å; S246-D248 PolarHBondContact OG-N 3.33Å; D248-R250 PolarHBondContact O-N 3.2Å; D248-R250 WeakPolarHBondContact OD1-CA 3.48Å; D248-R250 WeakPolarHBondContact OD1-CB 3.5Å; D248-R250 PolarHBondContact OD1-N 3.33Å; D248-L251 HydrophobicContact CB-CB 4.24Å; D248-L251 PolarHBondContact O-N 2.82Å; D248-L251 PolarHBondContact OD1-N 2.75Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 3.45Å
249F90.1Very high94.7Very high59 Ų5940.9 Ų40.926%0.25920%0.195SC..Hα-helixtrans-60.9-27.1178-62.7-56000113.8H247 S253 I274 K278H247-F249 PolarHBondContact O-N 3.47Å; F249-S253 VanDerWaalsContact O-CB 3.24Å; F249-S253 WeakPolarHBondContact O-CB 3.43Å; F249-S253 PolarHBondContact O-N 2.89Å; F249-S253 PolarHBondContact O-OG 2.85Å; F249-S253 VanDerWaalsContact O-OG 3.11Å; F249-I274 HydrophobicContact CD1-CD1 3.8Å; F249-I274 HydrophobicContact CD1-CG1 3.42Å; F249-I274 VanDerWaalsContact CD1-CG1 3.42Å; F249-I274 HydrophobicContact CE1-CD1 3.95Å; F249-I274 HydrophobicContact CE1-CG1 4.03Å; F249-I274 HydrophobicContact CG-CG1 4.41Å; F249-K278 HydrophobicContact CD2-CD 3.97Å; F249-K278 HydrophobicContact CE1-CB 4.38Å; F249-K278 HydrophobicContact CE2-CD 3.82Å; F249-K278 HydrophobicContact CE2-CG 4.02Å; F249-K278 HydrophobicContact CZ-CB 4.19Å; F249-K278 HydrophobicContact CZ-CD 4.27Å; F249-K278 HydrophobicContact CZ-CG 4.04Å
250R89.9Confident94.8Very high106 Ų10635.6 Ų35.640%0.417%0.17SC..Hα-helixtrans-67.7-53177.3-178.8-175.7178.3132.6-6.3109M225 D229 D248 V252 S253 Q254M225-R250 VanDerWaalsContact CE-CD 3.43Å; M225-R250 VanDerWaalsContact CE-NH1 3.3Å; D229-R250 IonicContact OD1-CZ 2.78Å; D229-R250 IonicContact OD1-NE 3.78Å; D229-R250 PolarHBondContact OD1-NE 3Å; D229-R250 IonicContact OD1-NH2 3.29Å; D229-R250 PolarHBondContact OD1-NH2 2.88Å; D229-R250 IonicContact OD2-CZ 3.69Å; D229-R250 IonicContact OD2-NH2 2.9Å; D229-R250 PolarHBondContact OD2-NH2 3.23Å; D248-R250 PolarHBondContact O-N 3.2Å; D248-R250 WeakPolarHBondContact OD1-CA 3.48Å; D248-R250 WeakPolarHBondContact OD1-CB 3.5Å; D248-R250 PolarHBondContact OD1-N 3.33Å; R250-V252 VanDerWaalsContact C-N 3.34Å; R250-V252 PolarHBondContact O-N 3.02Å; R250-S253 PolarHBondContact O-N 3.48Å; R250-S253 PolarHBondContact O-OG 3.33Å; R250-Q254 WeakPolarHBondContact O-CG 3.3Å; R250-Q254 PolarHBondContact O-N 2.77Å; R250-Q254 VanDerWaalsContact O-N 3.14Å
251L94.4Very high94.8Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-57.1-50.6177.4179.364.5000110.4P219 T220 I228 L231 A232 I235 L244 D248 S253 Q254 V255P219-L251 HydrophobicContact CG-CD2 3.71Å; T220-L251 HydrophobicContact CG2-CB 4.06Å; T220-L251 HydrophobicContact CG2-CD2 3.44Å; T220-L251 VanDerWaalsContact CG2-CD2 3.44Å; T220-L251 HydrophobicContact CG2-CG 4.32Å; I228-L251 HydrophobicContact CG2-CB 4.21Å; I228-L251 HydrophobicContact CG2-CD1 4.46Å; L231-L251 HydrophobicContact CD2-CD2 4.44Å; A232-L251 HydrophobicContact CB-CD1 3.78Å; I235-L251 HydrophobicContact CD1-CD1 4.44Å; L244-L251 HydrophobicContact CD1-CD2 4.05Å; L244-L251 HydrophobicContact CD2-CD2 4.07Å; L244-L251 HydrophobicContact CD2-CG 4.04Å; D248-L251 HydrophobicContact CB-CB 4.24Å; D248-L251 PolarHBondContact O-N 2.82Å; D248-L251 PolarHBondContact OD1-N 2.75Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 2.77Å; L251-Q254 PolarHBondContact O-N 3.3Å; L251-V255 HydrophobicContact CD1-CG1 4.06Å; L251-V255 HydrophobicContact CD1-CG2 4.5Å; L251-V255 HydrophobicContact CG-CG2 4.49Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.92Å
252V95.5Very high94.7Very high1 Ų137.4 Ų37.41%0.00618%0.179CC..Hα-helixtrans-56.6-47-179.2173.90000111.5A103 L244 D248 R250 Q254 V255 A256 I259 I274A103-V252 HydrophobicContact CB-CB 4.47Å; A103-V252 HydrophobicContact CB-CG1 3.54Å; A103-V252 HydrophobicContact CB-CG2 4.22Å; L244-V252 HydrophobicContact CD2-CG2 3.86Å; D248-V252 WeakPolarHBondContact O-CG2 3.35Å; D248-V252 PolarHBondContact O-N 3.45Å; R250-V252 VanDerWaalsContact C-N 3.34Å; R250-V252 PolarHBondContact O-N 3.02Å; V252-Q254 PolarHBondContact O-N 2.81Å; V252-V255 PolarHBondContact O-N 3.12Å; V252-A256 HydrophobicContact CG1-CB 4.06Å; V252-A256 VanDerWaalsContact O-CB 3.26Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.12Å; V252-I259 HydrophobicContact CG1-CD1 3.67Å; V252-I274 HydrophobicContact CB-CG1 4.18Å; V252-I274 HydrophobicContact CG1-CB 3.94Å; V252-I274 HydrophobicContact CG1-CD1 3.82Å; V252-I274 HydrophobicContact CG1-CG1 3.66Å; V252-I274 HydrophobicContact CG1-CG2 4.43Å
253S94.2Very high94.5Very high53 Ų5340 Ų4037%0.37119%0.193SC..Hα-helixtrans-63.5-27.4179.568.90000113.8F249 R250 L251F249-S253 VanDerWaalsContact O-CB 3.24Å; F249-S253 WeakPolarHBondContact O-CB 3.43Å; F249-S253 PolarHBondContact O-N 2.89Å; F249-S253 PolarHBondContact O-OG 2.85Å; F249-S253 VanDerWaalsContact O-OG 3.11Å; R250-S253 PolarHBondContact O-N 3.48Å; R250-S253 PolarHBondContact O-OG 3.33Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 2.77Å
254Q93.7Very high94.2Very high69 Ų6950 Ų5032%0.32223%0.231SC..Hα-helixtrans-82.4-24.5-178.7-73.7174.6-18.800113.6D229 A232 N236 R250 L251 V252D229-Q254 PolarHBondContact OD1-NE2 2.81Å; A232-Q254 HydrophobicContact CB-CB 4.05Å; N236-Q254 PolarHBondContact ND2-O 3.28Å; N236-Q254 PolarHBondContact OD1-O 3.1Å; R250-Q254 WeakPolarHBondContact O-CG 3.3Å; R250-Q254 PolarHBondContact O-N 2.77Å; R250-Q254 VanDerWaalsContact O-N 3.14Å; L251-Q254 PolarHBondContact O-N 3.3Å; V252-Q254 PolarHBondContact O-N 2.81Å
255V95.5Very high94.1Very high5 Ų553.2 Ų53.23%0.0325%0.248CC..Hα-helixtrans-126.1-23.8-167.7-53.30000115.4A232 I235 M242 L244 L251 V252A232-V255 HydrophobicContact CB-CG1 3.82Å; I235-V255 HydrophobicContact CB-CG1 4.05Å; I235-V255 HydrophobicContact CD1-CG1 4.46Å; I235-V255 HydrophobicContact CG2-CB 3.62Å; I235-V255 HydrophobicContact CG2-CG1 3.66Å; I235-V255 HydrophobicContact CG2-CG2 4.22Å; M242-V255 HydrophobicContact CE-CB 4Å; M242-V255 HydrophobicContact CE-CG2 3.73Å; L244-V255 HydrophobicContact CD2-CG2 3.62Å; L251-V255 HydrophobicContact CD1-CG1 4.06Å; L251-V255 HydrophobicContact CD1-CG2 4.5Å; L251-V255 HydrophobicContact CG-CG2 4.49Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.92Å; V252-V255 PolarHBondContact O-N 3.12Å
256A95.5Very high94.1Very high22 Ų2255.7 Ų55.718%0.18226%0.263CS..  trans-85.9131.7-177.100000110.8A103 V252 I259A103-A256 HydrophobicContact CB-CB 3.63Å; V252-A256 HydrophobicContact CG1-CB 4.06Å; V252-A256 VanDerWaalsContact O-CB 3.26Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 3.12Å; A256-I259 HydrophobicContact CB-CD1 4Å
257K95.1Very high94.2Very high170 Ų17055.7 Ų55.774%0.73926%0.262SS*.SBendtrans-92-29.2170.2-65.3-177.5179.9177.70111.7R101R101-K257 HydrophobicContact CB-CB 3.98Å; R101-K257 HydrophobicContact CB-CD 4.02Å; R101-K257 HydrophobicContact CB-CG 3.79Å; R101-K257 HydrophobicContact CG-CD 4.11Å; R101-K257 HydrophobicContact CG-CG 4.29Å; R101-K257 PolarHBondContact O-N 2.82Å
258E95.7Very high94.5Very high67 Ų6752.7 Ų52.731%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-129146.4176.7-58.6-163.8175.600111R101 V102 A103 W260 K269R101-E258 PolarHBondContact O-N 3.14Å; V102-E258 CarbonylContact C-O 3.44Å; V102-E258 WeakPolarHBondContact CA-O 3.33Å; V102-E258 HydrophobicContact CG2-CB 4.07Å; A103-E258 PolarHBondContact N-O 2.9Å; E258-W260 PolarHBondContact OE2-NE1 2.89Å; E258-K269 IonicContact OE1-NZ 2.76Å; E258-K269 PolarHBondContact OE1-NZ 2.99Å; E258-K269 WeakPolarHBondContact OE2-CE 3.22Å; E258-K269 IonicContact OE2-NZ 3.37Å; E258-K269 PolarHBondContact OE2-NZ 3.49Å
259I97Very high94.7Very high10 Ų1057.1 Ų57.15%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-109.6125.7172.3-54.8-56000107.9A103 V105 V252 A256 W270 I274A103-I259 HydrophobicContact CB-CD1 3.84Å; A103-I259 CarbonylContact O-C 3.57Å; A103-I259 WeakPolarHBondContact O-CA 3.14Å; V105-I259 HydrophobicContact CB-CG2 4.4Å; V105-I259 HydrophobicContact CG1-CG2 4.01Å; V105-I259 HydrophobicContact CG2-CG2 3.46Å; V105-I259 VanDerWaalsContact CG2-CG2 3.46Å; V252-I259 HydrophobicContact CG1-CD1 3.67Å; A256-I259 HydrophobicContact CB-CD1 4Å; I259-W270 HydrophobicContact CB-CB 3.99Å; I259-W270 HydrophobicContact CG2-CB 3.91Å; I259-W270 HydrophobicContact CG2-CG 4.38Å; I259-W270 WeakPolarHBondContact O-CB 3.3Å; I259-W270 PolarHBondContact O-N 3.29Å; I259-I274 HydrophobicContact CD1-CB 4.18Å; I259-I274 HydrophobicContact CD1-CD1 4.26Å
260W97.2Very high95Very high23 Ų2356.5 Ų56.59%0.08727%0.271CS..EExtended strand (participates in β ladder)trans-112.8117.9177.9-74.713.1000108.8C94 V102 A103 L104 V105 F115 E258 I267 A268C94-W260 HydrophobicContact CB-CH2 4Å; C94-W260 HydrophobicContact CB-CZ3 4.25Å; V102-W260 HydrophobicContact CB-CD2 4.33Å; V102-W260 HydrophobicContact CG1-CB 3.75Å; V102-W260 HydrophobicContact CG1-CD2 3.37Å; V102-W260 HydrophobicContact CG1-CE3 3.74Å; V102-W260 HydrophobicContact CG1-CG 3.38Å; V102-W260 HydrophobicContact CG1-CZ2 4.49Å; V102-W260 HydrophobicContact CG1-CZ3 4.43Å; V102-W260 HydrophobicContact CG2-CD2 4.01Å; V102-W260 VanDerWaalsContact CG2-CE2 3.5Å; V102-W260 HydrophobicContact CG2-CG 4.44Å; V102-W260 HydrophobicContact CG2-CH2 4.24Å; V102-W260 HydrophobicContact CG2-CZ2 3.64Å; A103-W260 PolarHBondContact O-N 3.02Å; L104-W260 CarbonylContact C-O 3.59Å; L104-W260 WeakPolarHBondContact CA-O 3.36Å; L104-W260 HydrophobicContact CD2-CB 3.83Å; L104-W260 HydrophobicContact CD2-CE3 4.12Å; V105-W260 PolarHBondContact N-O 3.49Å; F115-W260 HydrophobicContact CE1-CZ3 4.33Å; F115-W260 HydrophobicContact CZ-CZ3 4.41Å; E258-W260 PolarHBondContact OE2-NE1 2.89Å; W260-I267 HydrophobicContact CB-CG2 3.66Å; W260-I267 HydrophobicContact CD2-CG2 4.23Å; W260-I267 HydrophobicContact CE3-CG2 3.88Å; W260-I267 HydrophobicContact CG-CG2 4.19Å; W260-A268 CarbonylContact C-O 3.54Å; W260-A268 WeakPolarHBondContact CA-O 3.5Å
261L96.3Very high95.1Very high38 Ų3857.4 Ų57.420%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-88.2113.5178.6176.759.2000110V105 D263 I267 A268 W270 Y277V105-L261 HydrophobicContact CG2-CB 4.39Å; V105-L261 HydrophobicContact CG2-CD1 4.16Å; V105-L261 WeakPolarHBondContact O-CA 3.44Å; L261-D263 HydrophobicContact CD1-CB 4.48Å; L261-D263 HydrophobicContact CG-CB 4.34Å; L261-I267 CarbonylContact O-C 3.53Å; L261-I267 WeakPolarHBondContact O-CA 3.39Å; L261-A268 PolarHBondContact N-O 3.4Å; L261-A268 PolarHBondContact O-N 2.71Å; L261-W270 HydrophobicContact CD2-CE3 4.23Å; L261-Y277 HydrophobicContact CD1-CE2 3.74Å
262C95.6Very high95Very high0 Ų058.9 Ų58.90%031%0.306CS..EExtended strand (participates in β ladder)trans-88.6107171.6-1710000109.1Y89 V105 A110 K112 I267Y89-C262 PolarHBondContact OH-SG 2.91Å; V105-C262 WeakPolarHBondContact O-CB 3.49Å; V105-C262 PolarHBondContact O-N 3.1Å; A110-C262 HydrophobicContact CB-CB 4.47Å; A110-C262 VanDerWaalsContact CB-O 3.22Å; A110-C262 WeakPolarHBondContact CB-O 3.33Å; A110-C262 PolarHBondContact O-SG 2.88Å; K112-C262 HydrophobicContact CG-CB 3.96Å; C262-I267 HydrophobicContact CB-CG1 4.12Å
263D93.5Very high94.8Very high57 Ų5762.9 Ų62.931%0.30533%0.327SS..EExtended strand (participates in β ladder)trans-161.4162.7176.5-167.418.6000110.4L261 N265 T266L261-D263 HydrophobicContact CD1-CB 4.48Å; L261-D263 HydrophobicContact CG-CB 4.34Å; D263-N265 VanDerWaalsContact C-N 3.29Å; D263-N265 PolarHBondContact O-N 3.09Å; D263-N265 VanDerWaalsContact O-N 3.13Å; D263-T266 PolarHBondContact N-O 3.07Å; D263-T266 VanDerWaalsContact N-O 3.11Å; D263-T266 PolarHBondContact O-N 2.85Å
264R91.7Very high94.6Very high210 Ų21060.7 Ų60.779%0.79231%0.311SS*.THydrogen-bonded Turntrans47.446.9171.6-57.4177-168.3-174.3-1.4114.4T266R264-T266 VanDerWaalsContact C-N 3.26Å; R264-T266 PolarHBondContact O-N 3.36Å
265N94.9Very high94.6Very high66 Ų6662.5 Ų62.535%0.35332%0.318SS..THydrogen-bonded Turntrans67.216.1177.5-53.2115000116.4W87 I88 Y89 K90 D263W87-N265 PolarHBondContact O-ND2 3.42Å; I88-N265 VanDerWaalsContact O-CA 3.25Å; I88-N265 WeakPolarHBondContact O-CA 3.44Å; Y89-N265 CarbonylContact C-O 3.56Å; Y89-N265 VanDerWaalsContact CA-O 3.27Å; Y89-N265 WeakPolarHBondContact CA-O 3.39Å; K90-N265 HydrophobicContact CG-CB 4.37Å; K90-N265 PolarHBondContact N-O 3.32Å; D263-N265 VanDerWaalsContact C-N 3.29Å; D263-N265 PolarHBondContact O-N 3.09Å; D263-N265 VanDerWaalsContact O-N 3.13Å
266T95.5Very high94.4Very high54 Ų5464.2 Ų64.233%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-147.1175177.6-1660000111.5D263 R264D263-T266 PolarHBondContact N-O 3.07Å; D263-T266 VanDerWaalsContact N-O 3.11Å; D263-T266 PolarHBondContact O-N 2.85Å; R264-T266 VanDerWaalsContact C-N 3.26Å; R264-T266 PolarHBondContact O-N 3.36Å
267I96.8Very high94.2Very high9 Ų963.9 Ų63.95%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-121.8117.2170-62.6166.8000107Y89 Y92 L104 F115 W260 L261 C262Y89-I267 HydrophobicContact CD1-CG1 4.43Å; Y89-I267 HydrophobicContact CE1-CD1 3.82Å; Y89-I267 HydrophobicContact CE1-CG1 3.68Å; Y92-I267 HydrophobicContact CD1-CD1 4.42Å; Y92-I267 HydrophobicContact CD2-CB 4.34Å; Y92-I267 HydrophobicContact CE1-CB 4.15Å; Y92-I267 HydrophobicContact CE1-CD1 3.86Å; Y92-I267 HydrophobicContact CE1-CG1 4.43Å; Y92-I267 HydrophobicContact CE2-CB 3.73Å; Y92-I267 HydrophobicContact CE2-CG2 4.49Å; Y92-I267 WeakPolarHBondContact CE2-O 3.46Å; L104-I267 HydrophobicContact CD2-CD1 4.22Å; L104-I267 HydrophobicContact CD2-CG2 4.03Å; F115-I267 HydrophobicContact CB-CD1 4.09Å; F115-I267 HydrophobicContact CD1-CD1 3.86Å; F115-I267 HydrophobicContact CD2-CD1 3.67Å; F115-I267 HydrophobicContact CE1-CD1 4.15Å; F115-I267 HydrophobicContact CE2-CD1 4Å; F115-I267 HydrophobicContact CG-CD1 3.59Å; F115-I267 HydrophobicContact CZ-CD1 4.21Å; W260-I267 HydrophobicContact CB-CG2 3.66Å; W260-I267 HydrophobicContact CD2-CG2 4.23Å; W260-I267 HydrophobicContact CE3-CG2 3.88Å; W260-I267 HydrophobicContact CG-CG2 4.19Å; L261-I267 CarbonylContact O-C 3.53Å; L261-I267 WeakPolarHBondContact O-CA 3.39Å; C262-I267 HydrophobicContact CB-CG1 4.12Å
268A95.4Very high94Very high51 Ų5158.8 Ų58.842%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-113.8144.6-179.800000110.7W260 L261 W270W260-A268 CarbonylContact C-O 3.54Å; W260-A268 WeakPolarHBondContact CA-O 3.5Å; L261-A268 PolarHBondContact N-O 3.4Å; L261-A268 PolarHBondContact O-N 2.71Å; A268-W270 PolarHBondContact O-N 3.46Å
269K95.8Very high93.8Very high129 Ų12959.7 Ų59.756%0.56131%0.307SS*.EExtended strand (participates in β ladder)trans-67.2124.9172.7-175.3169.9179.5165.80109.6E258E258-K269 IonicContact OE1-NZ 2.76Å; E258-K269 PolarHBondContact OE1-NZ 2.99Å; E258-K269 WeakPolarHBondContact OE2-CE 3.22Å; E258-K269 IonicContact OE2-NZ 3.37Å; E258-K269 PolarHBondContact OE2-NZ 3.49Å
270W95.6Very high93.5Very high46 Ų4661.5 Ų61.517%0.17432%0.316CS..  trans-76130.4172.2-179.4-107.1000109I259 L261 A268 G272 D273 S276 Y277 N280I259-W270 HydrophobicContact CB-CB 3.99Å; I259-W270 HydrophobicContact CG2-CB 3.91Å; I259-W270 HydrophobicContact CG2-CG 4.38Å; I259-W270 WeakPolarHBondContact O-CB 3.3Å; I259-W270 PolarHBondContact O-N 3.29Å; L261-W270 HydrophobicContact CD2-CE3 4.23Å; A268-W270 PolarHBondContact O-N 3.46Å; W270-G272 VanDerWaalsContact C-N 3.26Å; W270-G272 VanDerWaalsContact CD1-O 3.23Å; W270-G272 PolarHBondContact O-N 2.96Å; W270-D273 PolarHBondContact NE1-O 3.07Å; W270-S276 PolarHBondContact NE1-OG 3.13Å; W270-Y277 HydrophobicContact CD2-CD2 4.22Å; W270-Y277 HydrophobicContact CE3-CD2 4.37Å; W270-N280 HydrophobicContact CH2-CB 3.72Å; W270-N280 HydrophobicContact CZ2-CB 3.92Å
271P92.9Very high93Very high125 Ų12563.2 Ų63.281%0.81233%0.327SS*.SBendtrans-74.2-14.2-172.728.4-35.7000114.1
272G91.6Very high92.7Very high31 Ų3167.3 Ų67.332%0.3234%0.34SS..SBendtrans-112.5-170.2-17900000113.7W270 S276W270-G272 VanDerWaalsContact C-N 3.26Å; W270-G272 VanDerWaalsContact CD1-O 3.23Å; W270-G272 PolarHBondContact O-N 2.96Å; G272-S276 WeakPolarHBondContact CA-OG 3.47Å
273D91.6Very high92.4Very high86 Ų8671.8 Ų71.846%0.4636%0.36SS..  trans-82.8-178.9171.969.22.1000111.8W270 F275 S276 Y277W270-D273 PolarHBondContact NE1-O 3.07Å; D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 3.37Å; D273-F275 PolarHBondContact OD1-N 2.91Å; D273-F275 VanDerWaalsContact OD1-N 3.15Å; D273-S276 PolarHBondContact N-OG 3.37Å; D273-S276 VanDerWaalsContact N-OG 3.14Å; D273-S276 PolarHBondContact O-N 2.78Å; D273-S276 PolarHBondContact O-OG 3.24Å; D273-S276 WeakPolarHBondContact OD1-CB 3.27Å; D273-S276 PolarHBondContact OD1-N 3.3Å; D273-S276 PolarHBondContact OD1-OG 2.99Å; D273-Y277 PolarHBondContact O-N 3.12Å
274I90.6Very high92.1Very high6 Ų673.8 Ų73.83%0.03137%0.368CS..Hα-helixtrans-66.3-27.4179.7-168.460000113.3V105 F249 V252 I259 Y277 K278V105-I274 HydrophobicContact CG1-CD1 3.84Å; F249-I274 HydrophobicContact CD1-CD1 3.8Å; F249-I274 HydrophobicContact CD1-CG1 3.42Å; F249-I274 VanDerWaalsContact CD1-CG1 3.42Å; F249-I274 HydrophobicContact CE1-CD1 3.95Å; F249-I274 HydrophobicContact CE1-CG1 4.03Å; F249-I274 HydrophobicContact CG-CG1 4.41Å; V252-I274 HydrophobicContact CB-CG1 4.18Å; V252-I274 HydrophobicContact CG1-CB 3.94Å; V252-I274 HydrophobicContact CG1-CD1 3.82Å; V252-I274 HydrophobicContact CG1-CG1 3.66Å; V252-I274 HydrophobicContact CG1-CG2 4.43Å; I259-I274 HydrophobicContact CD1-CB 4.18Å; I259-I274 HydrophobicContact CD1-CD1 4.26Å; I274-Y277 HydrophobicContact CD1-CD1 4.04Å; I274-Y277 PolarHBondContact O-N 3.4Å; I274-K278 PolarHBondContact O-N 3.11Å
275F92.2Very high91.8Very high108 Ų10868.3 Ų68.347%0.47435%0.354SS..Hα-helixtrans-73.4-41.7178.7-63.3-69.8000111.3D273 Y277 K278 E279D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 3.37Å; D273-F275 PolarHBondContact OD1-N 2.91Å; D273-F275 VanDerWaalsContact OD1-N 3.15Å; F275-Y277 VanDerWaalsContact C-N 3.28Å; F275-Y277 PolarHBondContact O-N 3.17Å; F275-K278 WeakPolarHBondContact O-CB 3.38Å; F275-K278 PolarHBondContact O-N 3.17Å; F275-K278 VanDerWaalsContact O-N 3.12Å; F275-E279 PolarHBondContact O-N 2.84Å
276S92.2Very high91.4Very high41 Ų4170.7 Ų70.729%0.28736%0.363SS..Hα-helixtrans-61-37.3172.670.80000112.1W270 G272 D273 E279 N280W270-S276 PolarHBondContact NE1-OG 3.13Å; G272-S276 WeakPolarHBondContact CA-OG 3.47Å; D273-S276 PolarHBondContact N-OG 3.37Å; D273-S276 VanDerWaalsContact N-OG 3.14Å; D273-S276 PolarHBondContact O-N 2.78Å; D273-S276 PolarHBondContact O-OG 3.24Å; D273-S276 WeakPolarHBondContact OD1-CB 3.27Å; D273-S276 PolarHBondContact OD1-N 3.3Å; D273-S276 PolarHBondContact OD1-OG 2.99Å; S276-E279 PolarHBondContact O-N 3.01Å; S276-N280 WeakPolarHBondContact O-CB 3.25Å; S276-N280 PolarHBondContact O-N 2.93Å
277Y90.9Very high90.9Very high15 Ų1573.8 Ų73.86%0.05937%0.372CS..Hα-helixtrans-64-43.9172.7174.6-106.8000111.5V105 G106 L261 W270 D273 I274 F275 E279 N280 L281V105-Y277 HydrophobicContact CB-CD1 4.25Å; V105-Y277 HydrophobicContact CB-CE1 3.73Å; V105-Y277 HydrophobicContact CG1-CD1 4.44Å; V105-Y277 HydrophobicContact CG1-CE1 4.29Å; V105-Y277 HydrophobicContact CG2-CD1 4.09Å; V105-Y277 HydrophobicContact CG2-CD2 4.17Å; V105-Y277 HydrophobicContact CG2-CE1 3.83Å; V105-Y277 HydrophobicContact CG2-CE2 3.92Å; V105-Y277 HydrophobicContact CG2-CG 4.25Å; G106-Y277 WeakPolarHBondContact CA-OH 3.28Å; G106-Y277 PolarHBondContact N-OH 2.66Å; L261-Y277 HydrophobicContact CD1-CE2 3.74Å; W270-Y277 HydrophobicContact CD2-CD2 4.22Å; W270-Y277 HydrophobicContact CE3-CD2 4.37Å; D273-Y277 PolarHBondContact O-N 3.12Å; I274-Y277 HydrophobicContact CD1-CD1 4.04Å; I274-Y277 PolarHBondContact O-N 3.4Å; F275-Y277 VanDerWaalsContact C-N 3.28Å; F275-Y277 PolarHBondContact O-N 3.17Å; Y277-E279 PolarHBondContact O-N 3.06Å; Y277-N280 PolarHBondContact O-N 3.17Å; Y277-L281 HydrophobicContact CE2-CD1 4.42Å; Y277-L281 WeakPolarHBondContact O-CB 3.17Å; Y277-L281 PolarHBondContact O-N 2.8Å
278K90.6Very high90.1Very high62 Ų6277.3 Ų77.327%0.2740%0.396SS..Hα-helixtrans-60.7-42.9177.3-176.8-176.3-179.9-178.30112.2F249 I274 F275 L281 R282F249-K278 HydrophobicContact CD2-CD 3.97Å; F249-K278 HydrophobicContact CE1-CB 4.38Å; F249-K278 HydrophobicContact CE2-CD 3.82Å; F249-K278 HydrophobicContact CE2-CG 4.02Å; F249-K278 HydrophobicContact CZ-CB 4.19Å; F249-K278 HydrophobicContact CZ-CD 4.27Å; F249-K278 HydrophobicContact CZ-CG 4.04Å; I274-K278 PolarHBondContact O-N 3.11Å; F275-K278 WeakPolarHBondContact O-CB 3.38Å; F275-K278 PolarHBondContact O-N 3.17Å; F275-K278 VanDerWaalsContact O-N 3.12Å; K278-L281 PolarHBondContact O-N 3.41Å; K278-R282 WeakPolarHBondContact O-CG 3.5Å; K278-R282 PolarHBondContact O-N 2.77Å
279E91.9Very high89.3Confident87 Ų8784.3 Ų84.341%0.40741%0.411SS..Hα-helixtrans-65.2-44.4175.7-67.7-50.6124.100111.5F275 S276 Y277 L281 R282 E283F275-E279 PolarHBondContact O-N 2.84Å; S276-E279 PolarHBondContact O-N 3.01Å; Y277-E279 PolarHBondContact O-N 3.06Å; E279-L281 VanDerWaalsContact C-N 3.26Å; E279-L281 PolarHBondContact O-N 3.02Å; E279-R282 WeakPolarHBondContact O-CB 3.31Å; E279-R282 PolarHBondContact O-N 3.38Å; E279-R282 VanDerWaalsContact O-N 3.09Å; E279-R282 IonicContact OE1-CZ 3.59Å; E279-R282 IonicContact OE1-NE 3.93Å; E279-R282 IonicContact OE1-NH1 3.81Å; E279-R282 PolarHBondContact OE1-NH1 3.09Å; E279-R282 IonicContact OE2-NH1 3.08Å; E279-E283 PolarHBondContact O-N 3.28Å
280N89.9Confident88.3Confident47 Ų4785.8 Ų85.825%0.25142%0.421SS..Hα-helixtrans-58.4-39.8175-171.1-99.7000112.2W270 S276 Y277 R282 E283 Q284W270-N280 HydrophobicContact CH2-CB 3.72Å; W270-N280 HydrophobicContact CZ2-CB 3.92Å; S276-N280 WeakPolarHBondContact O-CB 3.25Å; S276-N280 PolarHBondContact O-N 2.93Å; Y277-N280 PolarHBondContact O-N 3.17Å; N280-R282 VanDerWaalsContact C-N 3.35Å; N280-E283 PolarHBondContact O-N 2.93Å; N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.4Å; N280-Q284 PolarHBondContact O-N 3.06Å; N280-Q284 PolarHBondContact OD1-NE2 2.78Å
281L87.5Confident87Confident60 Ų6091.6 Ų91.631%0.31445%0.449SS..Hα-helixtrans-64.7-39.4177.2-153.375.4000111.8Y277 K278 E279 Q284 I285Y277-L281 HydrophobicContact CE2-CD1 4.42Å; Y277-L281 WeakPolarHBondContact O-CB 3.17Å; Y277-L281 PolarHBondContact O-N 2.8Å; K278-L281 PolarHBondContact O-N 3.41Å; E279-L281 VanDerWaalsContact C-N 3.26Å; E279-L281 PolarHBondContact O-N 3.02Å; L281-Q284 PolarHBondContact O-N 2.74Å; L281-I285 HydrophobicContact CG-CD1 4.46Å; L281-I285 WeakPolarHBondContact O-CD1 3.46Å; L281-I285 VanDerWaalsContact O-CG1 3.24Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 3.45Å
282R89.6Confident85.3Confident123 Ų12392.3 Ų92.346%0.46447%0.466SS..Hα-helixtrans-62.2-48.9175.4-73.6168.7168.2-173.5-11.8111.3K278 E279 N280 Q284 I285 E286K278-R282 WeakPolarHBondContact O-CG 3.5Å; K278-R282 PolarHBondContact O-N 2.77Å; E279-R282 WeakPolarHBondContact O-CB 3.31Å; E279-R282 PolarHBondContact O-N 3.38Å; E279-R282 VanDerWaalsContact O-N 3.09Å; E279-R282 IonicContact OE1-CZ 3.59Å; E279-R282 IonicContact OE1-NE 3.93Å; E279-R282 IonicContact OE1-NH1 3.81Å; E279-R282 PolarHBondContact OE1-NH1 3.09Å; E279-R282 IonicContact OE2-NH1 3.08Å; N280-R282 VanDerWaalsContact C-N 3.35Å; R282-Q284 VanDerWaalsContact C-N 3.3Å; R282-Q284 PolarHBondContact O-N 2.96Å; R282-I285 PolarHBondContact O-N 3.42Å; R282-E286 WeakPolarHBondContact O-CG 3.24Å; R282-E286 PolarHBondContact O-N 3.01Å
283E90.1Very high85Confident94 Ų9495.4 Ų95.444%0.43947%0.474SS..Hα-helixtrans-60.2-40.1178-69.7-178.9-171.200112.4E279 N280 E286 K287E279-E283 PolarHBondContact O-N 3.28Å; N280-E283 PolarHBondContact O-N 2.93Å; E283-E286 PolarHBondContact O-N 3.19Å; E283-K287 WeakPolarHBondContact O-CB 3.29Å; E283-K287 VanDerWaalsContact O-CG 3.29Å; E283-K287 WeakPolarHBondContact O-CG 3.46Å; E283-K287 PolarHBondContact O-N 3.49Å
284Q86.4Confident84.7Confident99 Ų9995.9 Ų95.946%0.46347%0.474SS..Hα-helixtrans-63.5-44.4176.5-73.9-178.317.100111.5N280 L281 R282 E286 K287 C288N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.4Å; N280-Q284 PolarHBondContact O-N 3.06Å; N280-Q284 PolarHBondContact OD1-NE2 2.78Å; L281-Q284 PolarHBondContact O-N 2.74Å; R282-Q284 VanDerWaalsContact C-N 3.3Å; R282-Q284 PolarHBondContact O-N 2.96Å; Q284-E286 VanDerWaalsContact C-N 3.34Å; Q284-E286 PolarHBondContact O-N 3.38Å; Q284-K287 PolarHBondContact O-N 3.39Å; Q284-C288 PolarHBondContact O-N 3.21Å; Q284-C288 PolarHBondContact O-SG 3.43Å
285I85.5Confident84.3Confident96 Ų96100.9 Ų100.949%0.49250%0.499SS..Hα-helixtrans-63.1-42.6177.5-67.7164.9000110.5L281 R282 C288 R289L281-I285 HydrophobicContact CG-CD1 4.46Å; L281-I285 WeakPolarHBondContact O-CD1 3.46Å; L281-I285 VanDerWaalsContact O-CG1 3.24Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 3.45Å; R282-I285 PolarHBondContact O-N 3.42Å; I285-C288 PolarHBondContact O-N 3.27Å; I285-R289 WeakPolarHBondContact O-CG 3.32Å; I285-R289 PolarHBondContact O-N 2.96Å
286E87.6Confident83.9Confident116 Ų116100.5 Ų100.554%0.54250%0.5SS..Hα-helixtrans-63.4-43.8177.2-73.9179.517800112.3R282 E283 Q284 C288 R289 Q290R282-E286 WeakPolarHBondContact O-CG 3.24Å; R282-E286 PolarHBondContact O-N 3.01Å; E283-E286 PolarHBondContact O-N 3.19Å; Q284-E286 VanDerWaalsContact C-N 3.34Å; Q284-E286 PolarHBondContact O-N 3.38Å; E286-C288 PolarHBondContact O-N 3.42Å; E286-R289 PolarHBondContact O-N 3.02Å; E286-Q290 WeakPolarHBondContact O-CG 3.42Å; E286-Q290 PolarHBondContact O-N 3.19Å
287K84.3Confident83.4Confident119 Ų119104.2 Ų104.252%0.51751%0.514SS..Hα-helixtrans-61.6-43.4175.2-73.6170.8-175168.10112E283 Q284 R289 Q290 Q291E283-K287 WeakPolarHBondContact O-CB 3.29Å; E283-K287 VanDerWaalsContact O-CG 3.29Å; E283-K287 WeakPolarHBondContact O-CG 3.46Å; E283-K287 PolarHBondContact O-N 3.49Å; Q284-K287 PolarHBondContact O-N 3.39Å; K287-R289 VanDerWaalsContact C-N 3.3Å; K287-R289 PolarHBondContact O-N 3.45Å; K287-Q290 PolarHBondContact O-N 3.49Å; K287-Q291 WeakPolarHBondContact O-CG 3.39Å; K287-Q291 PolarHBondContact O-N 2.98Å
288C80.7Confident82.9Confident83 Ų83110.1 Ų110.156%0.56154%0.544SS*.Hα-helixtrans-62.9-36.1175.2-74.90000112.4Q284 I285 E286 Q291 A292Q284-C288 PolarHBondContact O-N 3.21Å; Q284-C288 PolarHBondContact O-SG 3.43Å; I285-C288 PolarHBondContact O-N 3.27Å; E286-C288 PolarHBondContact O-N 3.42Å; C288-Q291 PolarHBondContact O-N 3.28Å; C288-A292 PolarHBondContact O-N 3.46Å
289R78.5Confident82.3Confident197 Ų197113.6 Ų113.674%0.74356%0.564SS**Hα-helixtrans-72.4-26.8176.7-72.2-178.679-168.85.1113.8I285 E286 K287I285-R289 WeakPolarHBondContact O-CG 3.32Å; I285-R289 PolarHBondContact O-N 2.96Å; E286-R289 PolarHBondContact O-N 3.02Å; K287-R289 VanDerWaalsContact C-N 3.3Å; K287-R289 PolarHBondContact O-N 3.45Å
290Q74.5Confident81.6Confident161 Ų161115.6 Ų115.675%0.75258%0.576SS**Hα-helixtrans-80.1-21.6175.6-71.3174.52.500112.8E286 K287E286-Q290 WeakPolarHBondContact O-CG 3.42Å; E286-Q290 PolarHBondContact O-N 3.19Å; K287-Q290 PolarHBondContact O-N 3.49Å
291Q67.5Low80.9Confident167 Ų167121.3 Ų121.378%0.7860%0.603SS**Hα-helixtrans-91.2-15.5178.8-70.6178.7-1200113.7K287 C288K287-Q291 WeakPolarHBondContact O-CG 3.39Å; K287-Q291 PolarHBondContact O-N 2.98Å; C288-Q291 PolarHBondContact O-N 3.28Å
292A58.6Low80.3Confident141 Ų141126.9 Ų126.9100%1.16563%0.629SS**  trans-94.30177.800000111.3C288C288-A292 PolarHBondContact O-N 3.46Å

Retrieved 292 of 292 residues in 1868.8 ms (Link to these results)

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