A0A3Q0KJL2_SCHMA Loading...

Inositol-tetrakisphosphate 1-kinase AlphaSync

Kinase that can phosphorylate various inositol polyphosphate such as Ins(3,4,5,6)P4 or Ins(1,3,4)P3.

AlphaFold DB , UniProt , Accession A0A3Q0KJL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M86.4Confident92.3Very high148 Ų14848.1 Ų48.173%0.72926%0.26SS*.  0125.70-172178.4-75.700108D28 I30M1-D28 CarbonylContact C-O 3.41Å; M1-D28 WeakPolarHBondContact CA-O 3.49Å; M1-I30 HydrophobicContact CE-CD1 4.39Å; M1-I30 HydrophobicContact CG-CD1 4.03Å; M1-I30 HydrophobicContact CG-CG1 3.96Å; M1-I30 HydrophobicContact SD-CD1 3.19Å; M1-I30 WeakPolarHBondContact SD-CD1 3.27Å; M1-I30 HydrophobicContact SD-CG1 3.72Å
2K92.7Very high91.8Very high113 Ų11345 Ų4549%0.49124%0.242SC..EExtended strand (participates in β ladder)trans-110.1139.3-178.4-65.2-72.8178.7176.90110.1D28 L29 I30 D47K2-D28 PolarHBondContact N-O 3.06Å; K2-L29 HydrophobicContact CB-CD2 3.79Å; K2-L29 CarbonylContact O-C 3.58Å; K2-L29 WeakPolarHBondContact O-CA 3.45Å; K2-I30 PolarHBondContact O-N 2.76Å; K2-D47 VanDerWaalsContact CA-OD2 3.29Å; K2-D47 WeakPolarHBondContact CA-OD2 3.47Å; K2-D47 HydrophobicContact CB-CB 4.13Å; K2-D47 HydrophobicContact CD-CB 3.62Å; K2-D47 WeakPolarHBondContact CD-OD1 3.22Å; K2-D47 IonicContact NZ-OD1 3.9Å; K2-D47 PolarHBondContact NZ-OD1 2.93Å
3V94.3Very high91.7Very high21 Ų2141.5 Ų41.513%0.12722%0.224CC..EExtended strand (participates in β ladder)trans-101.2119.9-179.1-170.60000109.7I30 R32 F46 D47 V48V3-I30 CarbonylContact C-O 3.6Å; V3-I30 WeakPolarHBondContact CA-O 3.33Å; V3-R32 HydrophobicContact CG1-CG 4.12Å; V3-F46 HydrophobicContact CG1-CD1 3.86Å; V3-F46 HydrophobicContact CG1-CE1 4.28Å; V3-D47 PolarHBondContact N-OD2 3.29Å; V3-D47 PolarHBondContact O-N 2.85Å; V3-V48 PolarHBondContact O-N 2.84Å; V3-V48 VanDerWaalsContact O-N 3.17Å
4V95Very high91.4Very high10 Ų1044.8 Ų44.86%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-101.1111177.9-172.70000109.3L29 I30 F31 R32 V48 L50V4-L29 HydrophobicContact CG2-CD2 4.33Å; V4-I30 PolarHBondContact N-O 3.23Å; V4-F31 HydrophobicContact CB-CD1 3.69Å; V4-F31 HydrophobicContact CB-CE1 3.85Å; V4-F31 HydrophobicContact CB-CG 4.29Å; V4-F31 HydrophobicContact CG1-CD1 3.79Å; V4-F31 HydrophobicContact CG1-CE1 3.75Å; V4-F31 HydrophobicContact CG2-CD1 4.33Å; V4-F31 HydrophobicContact CG2-CE1 4.08Å; V4-F31 HydrophobicContact CG2-CZ 4.34Å; V4-F31 CarbonylContact O-C 3.5Å; V4-F31 WeakPolarHBondContact O-CA 3.24Å; V4-R32 PolarHBondContact O-N 2.84Å; V4-V48 CarbonylContact C-O 3.54Å; V4-V48 WeakPolarHBondContact CA-O 3.35Å; V4-V48 HydrophobicContact CG1-CB 4.29Å; V4-V48 HydrophobicContact CG1-CG1 4.37Å; V4-V48 HydrophobicContact CG2-CB 4.24Å; V4-L50 HydrophobicContact CG1-CB 4.29Å
5G95.8Very high90.9Very high0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-75.9124.6170.400000110.8R32 V48 V49 L50G5-R32 CarbonylContact C-O 3.47Å; G5-R32 WeakPolarHBondContact CA-O 3.12Å; G5-V48 PolarHBondContact N-O 3.32Å; G5-V49 CarbonylContact O-C 3.53Å; G5-V49 WeakPolarHBondContact O-CA 3.35Å; G5-L50 PolarHBondContact O-N 3.21Å
6V95.3Very high90.4Very high0 Ų045.7 Ų45.70%025%0.251CS..EExtended strand (participates in β ladder)trans-106.2109.8178.3-179.80000109.1M8 V13 L18 L22 F31 R32 K33 I34 L50V6-M8 HydrophobicContact CG1-CE 3.77Å; V6-M8 HydrophobicContact CG1-CG 4.09Å; V6-M8 HydrophobicContact CG1-SD 4.11Å; V6-V13 HydrophobicContact CG1-CG2 4.14Å; V6-L18 HydrophobicContact CG1-CD1 3.87Å; V6-L18 HydrophobicContact CG2-CD1 4.4Å; V6-L22 HydrophobicContact CB-CD2 4.42Å; V6-L22 HydrophobicContact CG2-CD2 4.22Å; V6-F31 HydrophobicContact CG2-CB 4.4Å; V6-F31 HydrophobicContact CG2-CD1 3.85Å; V6-R32 PolarHBondContact N-O 2.8Å; V6-K33 WeakPolarHBondContact O-CA 3.29Å; V6-I34 PolarHBondContact O-N 3.08Å; V6-L50 CarbonylContact C-O 3.58Å; V6-L50 WeakPolarHBondContact CA-O 3.47Å
7W95.1Very high90Very high8 Ų845.2 Ų45.23%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-118.288.9-178.8-162.3-10.3000112.1I34 P36 I40 L50 H51 K52 I53 I68 F72W7-I34 HydrophobicContact CB-CB 3.99Å; W7-I34 HydrophobicContact CB-CD1 3.93Å; W7-I34 HydrophobicContact CB-CG2 4.38Å; W7-I34 HydrophobicContact CD2-CB 4.31Å; W7-I34 HydrophobicContact CD2-CG2 3.71Å; W7-I34 HydrophobicContact CE3-CD1 4.37Å; W7-I34 HydrophobicContact CE3-CG2 3.91Å; W7-I34 HydrophobicContact CG-CB 4.04Å; W7-I34 HydrophobicContact CG-CG2 3.94Å; W7-I34 HydrophobicContact CZ3-CG2 4.41Å; W7-P36 HydrophobicContact CZ2-CB 4.46Å; W7-I40 HydrophobicContact CE3-CD1 3.74Å; W7-I40 HydrophobicContact CH2-CB 4.38Å; W7-I40 HydrophobicContact CH2-CG2 4.44Å; W7-I40 HydrophobicContact CZ3-CB 3.93Å; W7-I40 HydrophobicContact CZ3-CD1 3.66Å; W7-I40 HydrophobicContact CZ3-CG1 4.35Å; W7-I40 HydrophobicContact CZ3-CG2 4.06Å; W7-L50 PolarHBondContact N-O 2.88Å; W7-H51 HydrophobicContact CB-CB 4.03Å; W7-H51 CarbonylContact O-C 3.55Å; W7-H51 WeakPolarHBondContact O-CA 3.36Å; W7-H51 WeakPolarHBondContact O-CB 3.33Å; W7-K52 PolarHBondContact O-N 3.45Å; W7-I53 HydrophobicContact CB-CD1 4.42Å; W7-I53 HydrophobicContact CB-CG1 4.21Å; W7-I53 HydrophobicContact CD2-CD1 3.43Å; W7-I53 VanDerWaalsContact CD2-CD1 3.43Å; W7-I53 HydrophobicContact CD2-CG1 3.87Å; W7-I53 HydrophobicContact CE3-CD1 3.63Å; W7-I53 HydrophobicContact CG-CD1 3.79Å; W7-I53 HydrophobicContact CG-CG1 3.68Å; W7-I53 HydrophobicContact CH2-CD1 4.45Å; W7-I53 HydrophobicContact CZ2-CD1 4.28Å; W7-I53 HydrophobicContact CZ3-CD1 4.15Å; W7-I68 HydrophobicContact CZ2-CG2 3.89Å; W7-F72 AromaticContact CE3-CD2 3.91Å; W7-F72 HydrophobicContact CE3-CD2 3.91Å; W7-F72 HydrophobicContact CH2-CB 4.04Å; W7-F72 HydrophobicContact CZ3-CB 3.88Å; W7-F72 AromaticContact CZ3-CD2 3.78Å; W7-F72 HydrophobicContact CZ3-CD2 3.78Å; W7-F72 HydrophobicContact CZ3-CG 4.24Å
8M93Very high89.7Confident10 Ų1043.6 Ų43.65%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-158.6173.2177.563.5-165.666.100110.3V6 K12 V13 I16 L18 L50 K52 F298V6-M8 HydrophobicContact CG1-CE 3.77Å; V6-M8 HydrophobicContact CG1-CG 4.09Å; V6-M8 HydrophobicContact CG1-SD 4.11Å; M8-K12 HydrophobicContact CB-CB 4.35Å; M8-K12 HydrophobicContact CB-CG 4.34Å; M8-K12 HydrophobicContact CG-CB 4.22Å; M8-K12 HydrophobicContact CG-CG 4.23Å; M8-K12 HydrophobicContact SD-CB 4.3Å; M8-K12 HydrophobicContact SD-CG 3.74Å; M8-V13 HydrophobicContact CG-CG2 3.49Å; M8-V13 VanDerWaalsContact CG-CG2 3.49Å; M8-V13 HydrophobicContact SD-CG2 4.05Å; M8-I16 HydrophobicContact SD-CD1 3.85Å; M8-L18 HydrophobicContact CE-CD1 4.21Å; M8-L18 HydrophobicContact SD-CD1 4.14Å; M8-L50 HydrophobicContact CE-CD2 4.24Å; M8-L50 HydrophobicContact CE-CG 3.96Å; M8-K52 HydrophobicContact CB-CB 3.9Å; M8-F298 HydrophobicContact CE-CE2 3.82Å; M8-F298 HydrophobicContact CE-CZ 3.9Å; M8-F298 HydrophobicContact SD-CZ 4.45Å
9S90.3Very high89.4Confident41 Ų4144.4 Ų44.429%0.28725%0.253SS..  trans-66.7152.2176.364.40000112.3S11 K12 V13S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.39Å; S9-S11 PolarHBondContact OG-OG 2.93Å; S9-S11 VanDerWaalsContact OG-OG 3.04Å; S9-K12 WeakPolarHBondContact O-CA 3.3Å; S9-K12 WeakPolarHBondContact O-CB 3.26Å; S9-K12 PolarHBondContact O-N 2.85Å; S9-K12 WeakPolarHBondContact OG-CB 3.32Å; S9-K12 PolarHBondContact OG-N 3.09Å; S9-V13 PolarHBondContact O-N 3.3Å
10D90.1Very high89.1Confident96 Ų9646 Ų4651%0.51327%0.266SS..Hα-helixtrans-55.4-47.7177.1-63.924.6000111.1K12 V13 D14 K33D10-K12 PolarHBondContact O-N 2.76Å; D10-K12 VanDerWaalsContact O-N 3.12Å; D10-V13 WeakPolarHBondContact O-CB 3.42Å; D10-V13 PolarHBondContact O-N 3.39Å; D10-D14 PolarHBondContact O-N 3.26Å; D10-D14 VanDerWaalsContact O-OD1 3.07Å; D10-K33 WeakPolarHBondContact OD1-CE 3.19Å; D10-K33 IonicContact OD1-NZ 2.96Å; D10-K33 PolarHBondContact OD1-NZ 2.83Å; D10-K33 IonicContact OD2-NZ 2.76Å; D10-K33 PolarHBondContact OD2-NZ 3.01Å
11S87.2Confident88.8Confident82 Ų8245.5 Ų45.557%0.57326%0.263SS*.Hα-helixtrans-54.6-35.4174.7630000113.2S9 S15S9-S11 VanDerWaalsContact C-N 3.31Å; S9-S11 PolarHBondContact O-N 3.39Å; S9-S11 PolarHBondContact OG-OG 2.93Å; S9-S11 VanDerWaalsContact OG-OG 3.04Å; S11-S15 VanDerWaalsContact O-CB 3.28Å; S11-S15 WeakPolarHBondContact O-CB 3.33Å; S11-S15 PolarHBondContact O-N 3.31Å; S11-S15 PolarHBondContact O-OG 3.37Å
12K86.8Confident88.6Confident11 Ų1140 Ų405%0.04824%0.236CC..Hα-helixtrans-74-46.4178-17763.5-176.5169.40109.9M8 S9 D10 D14 S15 I16 K52 F298 P299 I300M8-K12 HydrophobicContact CB-CB 4.35Å; M8-K12 HydrophobicContact CB-CG 4.34Å; M8-K12 HydrophobicContact CG-CB 4.22Å; M8-K12 HydrophobicContact CG-CG 4.23Å; M8-K12 HydrophobicContact SD-CB 4.3Å; M8-K12 HydrophobicContact SD-CG 3.74Å; S9-K12 WeakPolarHBondContact O-CA 3.3Å; S9-K12 WeakPolarHBondContact O-CB 3.26Å; S9-K12 PolarHBondContact O-N 2.85Å; S9-K12 WeakPolarHBondContact OG-CB 3.32Å; S9-K12 PolarHBondContact OG-N 3.09Å; D10-K12 PolarHBondContact O-N 2.76Å; D10-K12 VanDerWaalsContact O-N 3.12Å; K12-D14 VanDerWaalsContact C-N 3.29Å; K12-D14 PolarHBondContact O-N 2.95Å; K12-S15 WeakPolarHBondContact CA-OG 3.18Å; K12-S15 PolarHBondContact O-N 3.26Å; K12-S15 VanDerWaalsContact O-N 3.17Å; K12-S15 PolarHBondContact O-OG 2.93Å; K12-I16 HydrophobicContact CD-CG2 4.33Å; K12-I16 WeakPolarHBondContact O-CG1 3.23Å; K12-I16 PolarHBondContact O-N 3.19Å; K12-K52 HydrophobicContact CD-CD 3.96Å; K12-K52 HydrophobicContact CG-CD 4.09Å; K12-F298 PolarHBondContact NZ-O 3.07Å; K12-F298 VanDerWaalsContact NZ-O 3.16Å; K12-P299 PolarHBondContact NZ-O 3.24Å; K12-P299 VanDerWaalsContact NZ-O 3.16Å; K12-I300 HydrophobicContact CD-CG1 4.25Å
13V90Very high88Confident0 Ų042.1 Ų42.10%025%0.248CC..Hα-helixtrans-53-47.7175.1177.10000110.9V6 M8 S9 D10 G17 L18 N19 L22V6-V13 HydrophobicContact CG1-CG2 4.14Å; M8-V13 HydrophobicContact CG-CG2 3.49Å; M8-V13 VanDerWaalsContact CG-CG2 3.49Å; M8-V13 HydrophobicContact SD-CG2 4.05Å; S9-V13 PolarHBondContact O-N 3.3Å; D10-V13 WeakPolarHBondContact O-CB 3.42Å; D10-V13 PolarHBondContact O-N 3.39Å; V13-G17 PolarHBondContact O-N 3.4Å; V13-L18 HydrophobicContact CG1-CB 3.73Å; V13-L18 PolarHBondContact O-N 2.89Å; V13-N19 WeakPolarHBondContact CG1-OD1 3.23Å; V13-L22 HydrophobicContact CG1-CD1 3.55Å
14D88.2Confident87.3Confident87 Ų8746.1 Ų46.147%0.46527%0.265SS..Hα-helixtrans-61.1-48.9177.9-60.60.6000110.9D10 K12 I16 G17 N19D10-D14 PolarHBondContact O-N 3.26Å; D10-D14 VanDerWaalsContact O-OD1 3.07Å; K12-D14 VanDerWaalsContact C-N 3.29Å; K12-D14 PolarHBondContact O-N 2.95Å; D14-I16 PolarHBondContact O-N 2.91Å; D14-G17 PolarHBondContact O-N 3.3Å; D14-N19 PolarHBondContact OD1-ND2 2.82Å
15S83.3Confident86.1Confident56 Ų5655.6 Ų55.639%0.39231%0.305SS..Hα-helixtrans-62.9-26.7-173.569.30000114.5S11 K12S11-S15 VanDerWaalsContact O-CB 3.28Å; S11-S15 WeakPolarHBondContact O-CB 3.33Å; S11-S15 PolarHBondContact O-N 3.31Å; S11-S15 PolarHBondContact O-OG 3.37Å; K12-S15 WeakPolarHBondContact CA-OG 3.18Å; K12-S15 PolarHBondContact O-N 3.26Å; K12-S15 VanDerWaalsContact O-N 3.17Å; K12-S15 PolarHBondContact O-OG 2.93Å
16I82.8Confident85.3Confident48 Ų4860.5 Ų60.525%0.24632%0.324CS..THydrogen-bonded Turntrans-104.811.717964.6177.3000112.1M8 K12 D14 L18 F298M8-I16 HydrophobicContact SD-CD1 3.85Å; K12-I16 HydrophobicContact CD-CG2 4.33Å; K12-I16 WeakPolarHBondContact O-CG1 3.23Å; K12-I16 PolarHBondContact O-N 3.19Å; D14-I16 PolarHBondContact O-N 2.91Å; I16-L18 HydrophobicContact CD1-CB 4.39Å; I16-L18 HydrophobicContact CD1-CD1 3.42Å; I16-L18 VanDerWaalsContact CD1-CD1 3.42Å; I16-L18 HydrophobicContact CD1-CG 3.56Å; I16-L18 HydrophobicContact CG1-CB 4.14Å; I16-L18 HydrophobicContact CG1-CD1 4.09Å; I16-L18 HydrophobicContact CG1-CG 3.7Å; I16-L18 PolarHBondContact O-N 3.39Å; I16-F298 HydrophobicContact CD1-CE1 3.68Å; I16-F298 HydrophobicContact CD1-CZ 3.71Å; I16-F298 HydrophobicContact CG2-CE1 4.4Å
17G82.9Confident84.5Confident38 Ų3865.8 Ų65.839%0.39236%0.361SS..THydrogen-bonded Turntrans67.715.1177.800000115.1V13 D14 N19 S20V13-G17 PolarHBondContact O-N 3.4Å; D14-G17 PolarHBondContact O-N 3.3Å; G17-N19 PolarHBondContact O-N 3.03Å; G17-S20 PolarHBondContact O-N 3.42Å; G17-S20 PolarHBondContact O-OG 3.49Å
18L85.1Confident84.1Confident16 Ų1669.1 Ų69.18%0.08438%0.379CS..Hα-helixtrans-69.5-15.6-179.5-81.5-172000113.3V6 M8 V13 I16 S20 L21 L22 L50V6-L18 HydrophobicContact CG1-CD1 3.87Å; V6-L18 HydrophobicContact CG2-CD1 4.4Å; M8-L18 HydrophobicContact CE-CD1 4.21Å; M8-L18 HydrophobicContact SD-CD1 4.14Å; V13-L18 HydrophobicContact CG1-CB 3.73Å; V13-L18 PolarHBondContact O-N 2.89Å; I16-L18 HydrophobicContact CD1-CB 4.39Å; I16-L18 HydrophobicContact CD1-CD1 3.42Å; I16-L18 VanDerWaalsContact CD1-CD1 3.42Å; I16-L18 HydrophobicContact CD1-CG 3.56Å; I16-L18 HydrophobicContact CG1-CB 4.14Å; I16-L18 HydrophobicContact CG1-CD1 4.09Å; I16-L18 HydrophobicContact CG1-CG 3.7Å; I16-L18 PolarHBondContact O-N 3.39Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.92Å; L18-L21 HydrophobicContact CD2-CB 4.39Å; L18-L21 HydrophobicContact CD2-CD1 3.64Å; L18-L21 HydrophobicContact CD2-CG 4.39Å; L18-L21 PolarHBondContact O-N 3.3Å; L18-L21 VanDerWaalsContact O-N 3.14Å; L18-L22 WeakPolarHBondContact O-CG 3.19Å; L18-L22 PolarHBondContact O-N 3.44Å; L18-L50 HydrophobicContact CD1-CD2 3.77Å
19N84.1Confident84Confident59 Ų5971 Ų7132%0.31639%0.389SS..Hα-helixtrans-58.9-39.8176.7-91.8-12.3000112.8V13 D14 G17 L21 L22 H23V13-N19 WeakPolarHBondContact CG1-OD1 3.23Å; D14-N19 PolarHBondContact OD1-ND2 2.82Å; G17-N19 PolarHBondContact O-N 3.03Å; N19-L21 VanDerWaalsContact C-N 3.32Å; N19-L21 PolarHBondContact O-N 3.37Å; N19-L22 PolarHBondContact O-N 2.84Å; N19-H23 PolarHBondContact O-CD2 3.44Å; N19-H23 PolarHBondContact O-N 3.36Å
20S82.8Confident84Confident75 Ų7571.7 Ų71.752%0.52439%0.389SS..Hα-helixtrans-62-45.1175.857.30000110.2G17 L18 L22 H23 E24G17-S20 PolarHBondContact O-N 3.42Å; G17-S20 PolarHBondContact O-OG 3.49Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.92Å; S20-L22 VanDerWaalsContact C-N 3.31Å; S20-L22 PolarHBondContact O-N 2.97Å; S20-H23 PolarHBondContact O-N 3.08Å; S20-H23 VanDerWaalsContact O-N 3.1Å; S20-E24 VanDerWaalsContact O-CB 3.28Å; S20-E24 WeakPolarHBondContact O-CB 3.16Å; S20-E24 PolarHBondContact O-N 3.2Å
21L82.6Confident84.1Confident37 Ų3768.4 Ų68.419%0.19437%0.37CS..Hα-helixtrans-66.5-28.2179.6-60.1-171.3000113.9L18 N19 H23 F31L18-L21 HydrophobicContact CD2-CB 4.39Å; L18-L21 HydrophobicContact CD2-CD1 3.64Å; L18-L21 HydrophobicContact CD2-CG 4.39Å; L18-L21 PolarHBondContact O-N 3.3Å; L18-L21 VanDerWaalsContact O-N 3.14Å; N19-L21 VanDerWaalsContact C-N 3.32Å; N19-L21 PolarHBondContact O-N 3.37Å; L21-H23 VanDerWaalsContact C-N 3.25Å; L21-H23 PolarHBondContact O-N 3.02Å; L21-F31 HydrophobicContact CB-CD2 3.97Å; L21-F31 HydrophobicContact CB-CE2 4.18Å; L21-F31 HydrophobicContact CB-CG 4.29Å; L21-F31 HydrophobicContact CD1-CE2 4.26Å; L21-F31 HydrophobicContact CD1-CZ 4.14Å
22L83.3Confident84.4Confident31 Ų3170 Ų7016%0.16236%0.364CS..Hα-helixtrans-69.6-22.9174-74.8171.4000113.1V6 V13 L18 N19 S20 F31 K33V6-L22 HydrophobicContact CB-CD2 4.42Å; V6-L22 HydrophobicContact CG2-CD2 4.22Å; V13-L22 HydrophobicContact CG1-CD1 3.55Å; L18-L22 WeakPolarHBondContact O-CG 3.19Å; L18-L22 PolarHBondContact O-N 3.44Å; N19-L22 PolarHBondContact O-N 2.84Å; S20-L22 VanDerWaalsContact C-N 3.31Å; S20-L22 PolarHBondContact O-N 2.97Å; L22-F31 HydrophobicContact CD2-CB 3.85Å; L22-K33 HydrophobicContact CD1-CB 4.4Å; L22-K33 HydrophobicContact CD2-CB 4.15Å
23H79.3Confident84.8Confident159 Ų15973.4 Ų73.474%0.73638%0.378SS*.Hα-helixtrans-110.2-16.8-177.5-62.4-52000113.4N19 S20 L21N19-H23 PolarHBondContact O-CD2 3.44Å; N19-H23 PolarHBondContact O-N 3.36Å; S20-H23 PolarHBondContact O-N 3.08Å; S20-H23 VanDerWaalsContact O-N 3.1Å; L21-H23 VanDerWaalsContact C-N 3.25Å; L21-H23 PolarHBondContact O-N 3.02Å
24E80.1Confident85Confident104 Ų10473.5 Ų73.549%0.48638%0.379SS..  trans-76.8133.7179.1-169.2176.7-169.100111.8S20 R26S20-E24 VanDerWaalsContact O-CB 3.28Å; S20-E24 WeakPolarHBondContact O-CB 3.16Å; S20-E24 PolarHBondContact O-N 3.2Å; E24-R26 HydrophobicContact CG-CG 4.19Å; E24-R26 PolarHBondContact O-N 3.36Å
25K70.9Confident85.3Confident210 Ų21072.6 Ų72.691%0.91337%0.374SS*.  trans-87.9106.7170.4-74.1-175.2179.5178.80109.5
26R78.4Confident85.5Confident102 Ų10272.2 Ų72.239%0.38537%0.371SS..  trans-100.2156170.9-56.2174.967132.3-1110.2E24 D28E24-R26 HydrophobicContact CG-CG 4.19Å; E24-R26 PolarHBondContact O-N 3.36Å; R26-D28 VanDerWaalsContact C-N 3.35Å; R26-D28 WeakPolarHBondContact CB-OD1 3.37Å; R26-D28 IonicContact NE-OD1 2.64Å
27S78.9Confident85.8Confident112 Ų11274.3 Ų74.378%0.78339%0.388SS*.SBendtrans-77.1-23.6-178.550.70000113
28D86.9Confident86.1Confident78 Ų7876 Ų7642%0.41739%0.388SS..SBendtrans-107.6-41.9-17159.9-24000113.2M1 K2 R26M1-D28 CarbonylContact C-O 3.41Å; M1-D28 WeakPolarHBondContact CA-O 3.49Å; K2-D28 PolarHBondContact N-O 3.06Å; R26-D28 VanDerWaalsContact C-N 3.35Å; R26-D28 WeakPolarHBondContact CB-OD1 3.37Å; R26-D28 IonicContact NE-OD1 2.64Å
29L90.1Very high86.3Confident50 Ų5077.2 Ų77.226%0.26240%0.398SS..EExtended strand (participates in β ladder)trans-121.1142.2-175-59.6-179000112.7K2 V4 F31K2-L29 HydrophobicContact CB-CD2 3.79Å; K2-L29 CarbonylContact O-C 3.58Å; K2-L29 WeakPolarHBondContact O-CA 3.45Å; V4-L29 HydrophobicContact CG2-CD2 4.33Å; L29-F31 HydrophobicContact CB-CE2 4.02Å; L29-F31 HydrophobicContact CD1-CE2 4.23Å; L29-F31 HydrophobicContact CD1-CZ 4.15Å
30I91.1Very high86.8Confident54 Ų5474.4 Ų74.428%0.27738%0.383SS..EExtended strand (participates in β ladder)trans-120.7123.2165.8-65.8-175.9000108.3M1 K2 V3 V4 R32M1-I30 HydrophobicContact CE-CD1 4.39Å; M1-I30 HydrophobicContact CG-CD1 4.03Å; M1-I30 HydrophobicContact CG-CG1 3.96Å; M1-I30 HydrophobicContact SD-CD1 3.19Å; M1-I30 WeakPolarHBondContact SD-CD1 3.27Å; M1-I30 HydrophobicContact SD-CG1 3.72Å; K2-I30 PolarHBondContact O-N 2.76Å; V3-I30 CarbonylContact C-O 3.6Å; V3-I30 WeakPolarHBondContact CA-O 3.33Å; V4-I30 PolarHBondContact N-O 3.23Å; I30-R32 HydrophobicContact CG2-CG 4.12Å
31F92.4Very high87.1Confident28 Ų2874.5 Ų74.512%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-91136.8172.1-65.4-97.9000110.2V4 V6 L21 L22 L29V4-F31 HydrophobicContact CB-CD1 3.69Å; V4-F31 HydrophobicContact CB-CE1 3.85Å; V4-F31 HydrophobicContact CB-CG 4.29Å; V4-F31 HydrophobicContact CG1-CD1 3.79Å; V4-F31 HydrophobicContact CG1-CE1 3.75Å; V4-F31 HydrophobicContact CG2-CD1 4.33Å; V4-F31 HydrophobicContact CG2-CE1 4.08Å; V4-F31 HydrophobicContact CG2-CZ 4.34Å; V4-F31 CarbonylContact O-C 3.5Å; V4-F31 WeakPolarHBondContact O-CA 3.24Å; V6-F31 HydrophobicContact CG2-CB 4.4Å; V6-F31 HydrophobicContact CG2-CD1 3.85Å; L21-F31 HydrophobicContact CB-CD2 3.97Å; L21-F31 HydrophobicContact CB-CE2 4.18Å; L21-F31 HydrophobicContact CB-CG 4.29Å; L21-F31 HydrophobicContact CD1-CE2 4.26Å; L21-F31 HydrophobicContact CD1-CZ 4.14Å; L22-F31 HydrophobicContact CD2-CB 3.85Å; L29-F31 HydrophobicContact CB-CE2 4.02Å; L29-F31 HydrophobicContact CD1-CE2 4.23Å; L29-F31 HydrophobicContact CD1-CZ 4.15Å
32R92.9Very high87.6Confident114 Ų11479.8 Ų79.843%0.4341%0.407SS..EExtended strand (participates in β ladder)trans-134.3126.1175.5-70.5-174.6-176.1172.81.3109.5V3 V4 G5 V6 I30 F46V3-R32 HydrophobicContact CG1-CG 4.12Å; V4-R32 PolarHBondContact O-N 2.84Å; G5-R32 CarbonylContact C-O 3.47Å; G5-R32 WeakPolarHBondContact CA-O 3.12Å; V6-R32 PolarHBondContact N-O 2.8Å; I30-R32 HydrophobicContact CG2-CG 4.12Å; R32-F46 HydrophobicContact CB-CE1 4.04Å
33K94.3Very high88.2Confident83 Ų8380.1 Ų80.136%0.36141%0.407SS..EExtended strand (participates in β ladder)trans-71.4131.7175.1-169.9171.8178.7-179.40110.1V6 D10 L22V6-K33 WeakPolarHBondContact O-CA 3.29Å; D10-K33 WeakPolarHBondContact OD1-CE 3.19Å; D10-K33 IonicContact OD1-NZ 2.96Å; D10-K33 PolarHBondContact OD1-NZ 2.83Å; D10-K33 IonicContact OD2-NZ 2.76Å; D10-K33 PolarHBondContact OD2-NZ 3.01Å; L22-K33 HydrophobicContact CD1-CB 4.4Å; L22-K33 HydrophobicContact CD2-CB 4.15Å
34I95.7Very high88.6Confident2 Ų273.6 Ų73.61%0.0138%0.384CS..PPolyproline II helixtrans-88.6123.4175.5-67161.4000108.3V6 W7 P36 I40 F46 V49V6-I34 PolarHBondContact O-N 3.08Å; W7-I34 HydrophobicContact CB-CB 3.99Å; W7-I34 HydrophobicContact CB-CD1 3.93Å; W7-I34 HydrophobicContact CB-CG2 4.38Å; W7-I34 HydrophobicContact CD2-CB 4.31Å; W7-I34 HydrophobicContact CD2-CG2 3.71Å; W7-I34 HydrophobicContact CE3-CD1 4.37Å; W7-I34 HydrophobicContact CE3-CG2 3.91Å; W7-I34 HydrophobicContact CG-CB 4.04Å; W7-I34 HydrophobicContact CG-CG2 3.94Å; W7-I34 HydrophobicContact CZ3-CG2 4.41Å; I34-P36 WeakPolarHBondContact O-CD 3.42Å; I34-I40 HydrophobicContact CD1-CD1 3.69Å; I34-I40 HydrophobicContact CD1-CG1 4.25Å; I34-I40 HydrophobicContact CG2-CB 4.44Å; I34-I40 HydrophobicContact CG2-CD1 4.49Å; I34-I40 HydrophobicContact CG2-CG1 4.37Å; I34-F46 HydrophobicContact CD1-CD2 4.49Å; I34-F46 HydrophobicContact CD1-CE2 4.07Å; I34-F46 HydrophobicContact CD1-CZ 4.16Å; I34-F46 HydrophobicContact CG1-CE1 4.33Å; I34-F46 HydrophobicContact CG1-CE2 3.97Å; I34-F46 HydrophobicContact CG1-CZ 3.69Å; I34-V49 HydrophobicContact CD1-CG1 4.33Å
35N92.8Very high89.3Confident68 Ų6873.7 Ų73.736%0.36439%0.393SS..PPolyproline II helixtrans-79.6118173.7-175.9-14.6000109.6C37 I38 Q43N35-C37 PolarHBondContact O-N 3.13Å; N35-C37 WeakPolarHBondContact OD1-CB 3.14Å; N35-C37 PolarHBondContact OD1-N 2.98Å; N35-I38 HydrophobicContact CB-CD1 4.35Å; N35-I38 PolarHBondContact O-N 2.89Å; N35-I38 VanDerWaalsContact O-O 3.09Å; N35-Q43 PolarHBondContact O-NE2 2.89Å
36P89Confident90.5Very high49 Ų4964 Ų6432%0.31835%0.351SS..THydrogen-bonded Turntrans-68-13.5-179.728.1-35.6000114.1W7 I34 I68W7-P36 HydrophobicContact CZ2-CB 4.46Å; I34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-I68 HydrophobicContact CB-CD1 4.14Å
37C88.2Confident91.4Very high91 Ų9161.4 Ų61.462%0.61535%0.345SS*.THydrogen-bonded Turntrans-85.2-9.9178.6-62.50000113.5N35N35-C37 PolarHBondContact O-N 3.13Å; N35-C37 WeakPolarHBondContact OD1-CB 3.14Å; N35-C37 PolarHBondContact OD1-N 2.98Å
38I90.3Very high92.2Very high74 Ų7457.5 Ų57.538%0.37932%0.316SS..SBendtrans-118.7146.1-179.1-58.1172.4000107.5N35 I40 E42 Q43N35-I38 HydrophobicContact CB-CD1 4.35Å; N35-I38 PolarHBondContact O-N 2.89Å; N35-I38 VanDerWaalsContact O-O 3.09Å; I38-I40 PolarHBondContact O-N 3.1Å; I38-E42 HydrophobicContact CG2-CB 4.18Å; I38-E42 WeakPolarHBondContact CG2-OE2 3.47Å; I38-Q43 HydrophobicContact CB-CG 4.45Å; I38-Q43 HydrophobicContact CG2-CG 4.04Å; I38-Q43 PolarHBondContact O-NE2 2.84Å
39S88.7Confident92.7Very high42 Ų4253.8 Ų53.829%0.29430%0.296SS..  trans-57.6132.5175.2-177.20000110.1S41 E42 Q43S39-S41 PolarHBondContact O-N 3Å; S39-S41 PolarHBondContact OG-N 3.15Å; S39-S41 PolarHBondContact OG-OG 3.16Å; S39-E42 PolarHBondContact O-N 3.03Å; S39-Q43 PolarHBondContact O-NE2 2.87Å
40I93.4Very high92.9Very high0 Ų052.5 Ų52.50%029%0.29CS..G310 helixtrans-59.4-29175.6-179.1169.4000111.9W7 I34 I38 E42 Q43 G44 F46 V49 Y75W7-I40 HydrophobicContact CE3-CD1 3.74Å; W7-I40 HydrophobicContact CH2-CB 4.38Å; W7-I40 HydrophobicContact CH2-CG2 4.44Å; W7-I40 HydrophobicContact CZ3-CB 3.93Å; W7-I40 HydrophobicContact CZ3-CD1 3.66Å; W7-I40 HydrophobicContact CZ3-CG1 4.35Å; W7-I40 HydrophobicContact CZ3-CG2 4.06Å; I34-I40 HydrophobicContact CD1-CD1 3.69Å; I34-I40 HydrophobicContact CD1-CG1 4.25Å; I34-I40 HydrophobicContact CG2-CB 4.44Å; I34-I40 HydrophobicContact CG2-CD1 4.49Å; I34-I40 HydrophobicContact CG2-CG1 4.37Å; I38-I40 PolarHBondContact O-N 3.1Å; I40-E42 PolarHBondContact O-N 3.42Å; I40-Q43 PolarHBondContact O-N 3.49Å; I40-Q43 VanDerWaalsContact O-N 3.09Å; I40-G44 PolarHBondContact O-N 2.8Å; I40-F46 HydrophobicContact CD1-CD2 4.5Å; I40-F46 HydrophobicContact CD1-CE2 4.46Å; I40-F46 HydrophobicContact CG1-CD2 4.21Å; I40-F46 HydrophobicContact CG1-CE2 3.88Å; I40-V49 HydrophobicContact CD1-CG2 4.46Å; I40-Y75 HydrophobicContact CB-CD2 4.38Å; I40-Y75 HydrophobicContact CB-CG 4.3Å; I40-Y75 HydrophobicContact CD1-CD1 3.47Å; I40-Y75 VanDerWaalsContact CD1-CD1 3.47Å; I40-Y75 HydrophobicContact CD1-CE1 3.66Å; I40-Y75 HydrophobicContact CD1-CG 4.03Å; I40-Y75 HydrophobicContact CG1-CD1 3.89Å; I40-Y75 HydrophobicContact CG1-CD2 4.16Å; I40-Y75 HydrophobicContact CG1-CE1 3.95Å; I40-Y75 HydrophobicContact CG1-CE2 4.18Å; I40-Y75 HydrophobicContact CG1-CG 4.04Å; I40-Y75 HydrophobicContact CG2-CD1 4Å; I40-Y75 HydrophobicContact CG2-CD2 3.59Å; I40-Y75 HydrophobicContact CG2-CE2 4.4Å; I40-Y75 HydrophobicContact CG2-CG 3.36Å
41S90.9Very high93.1Very high77 Ų7750.1 Ų50.154%0.53828%0.277SS..G310 helixtrans-62.9-25176.561.60000113.5S39S39-S41 PolarHBondContact O-N 3Å; S39-S41 PolarHBondContact OG-N 3.15Å; S39-S41 PolarHBondContact OG-OG 3.16Å
42E93.2Very high93.1Very high148 Ų14851.1 Ų51.169%0.69228%0.282SS*.G310 helixtrans-88.8-9.3179.1-64.8170.2-160.600112.5I38 S39 I40I38-E42 HydrophobicContact CG2-CB 4.18Å; I38-E42 WeakPolarHBondContact CG2-OE2 3.47Å; S39-E42 PolarHBondContact O-N 3.03Å; I40-E42 PolarHBondContact O-N 3.42Å
43Q95.1Very high93.2Very high37 Ų3745.7 Ų45.717%0.17326%0.261CS..THydrogen-bonded Turntrans-105.2-12.6-174.5-62.8179.271.300113.1N35 I38 S39 I40 F46N35-Q43 PolarHBondContact O-NE2 2.89Å; I38-Q43 HydrophobicContact CB-CG 4.45Å; I38-Q43 HydrophobicContact CG2-CG 4.04Å; I38-Q43 PolarHBondContact O-NE2 2.84Å; S39-Q43 PolarHBondContact O-NE2 2.87Å; I40-Q43 PolarHBondContact O-N 3.49Å; I40-Q43 VanDerWaalsContact O-N 3.09Å; Q43-F46 HydrophobicContact CB-CE2 4.08Å; Q43-F46 HydrophobicContact CB-CZ 3.95Å; Q43-F46 WeakPolarHBondContact O-CZ 3.41Å
44G88.4Confident93.1Very high23 Ų2344.6 Ų44.624%0.23726%0.263CS..  trans-78.6-164.5178.100000114.4I40I40-G44 PolarHBondContact O-N 2.8Å
45P93.4Very high92.9Very high106 Ų10646.2 Ų46.269%0.68827%0.27SS*.  cis-70.8147.20.130.1-34.9000112
46F96.8Very high93Very high5 Ų543.2 Ų43.22%0.02225%0.254CS..  trans-114.4143.4171.6-61.1-68.1000108.8V3 R32 I34 I40 Q43 V49 V82V3-F46 HydrophobicContact CG1-CD1 3.86Å; V3-F46 HydrophobicContact CG1-CE1 4.28Å; R32-F46 HydrophobicContact CB-CE1 4.04Å; I34-F46 HydrophobicContact CD1-CD2 4.49Å; I34-F46 HydrophobicContact CD1-CE2 4.07Å; I34-F46 HydrophobicContact CD1-CZ 4.16Å; I34-F46 HydrophobicContact CG1-CE1 4.33Å; I34-F46 HydrophobicContact CG1-CE2 3.97Å; I34-F46 HydrophobicContact CG1-CZ 3.69Å; I40-F46 HydrophobicContact CD1-CD2 4.5Å; I40-F46 HydrophobicContact CD1-CE2 4.46Å; I40-F46 HydrophobicContact CG1-CD2 4.21Å; I40-F46 HydrophobicContact CG1-CE2 3.88Å; Q43-F46 HydrophobicContact CB-CE2 4.08Å; Q43-F46 HydrophobicContact CB-CZ 3.95Å; Q43-F46 WeakPolarHBondContact O-CZ 3.41Å; F46-V49 HydrophobicContact CB-CG2 4.23Å; F46-V82 VanDerWaalsContact O-CG2 3.27Å; F46-V82 WeakPolarHBondContact O-CG2 3.4Å
47D96.7Very high93.2Very high48 Ų4841.4 Ų41.426%0.25724%0.241SC..SBendtrans-90.2-33.9169.7-65-91.6000111.3K2 V3 L83K2-D47 VanDerWaalsContact CA-OD2 3.29Å; K2-D47 WeakPolarHBondContact CA-OD2 3.47Å; K2-D47 HydrophobicContact CB-CB 4.13Å; K2-D47 HydrophobicContact CD-CB 3.62Å; K2-D47 WeakPolarHBondContact CD-OD1 3.22Å; K2-D47 IonicContact NZ-OD1 3.9Å; K2-D47 PolarHBondContact NZ-OD1 2.93Å; V3-D47 PolarHBondContact N-OD2 3.29Å; V3-D47 PolarHBondContact O-N 2.85Å; D47-L83 PolarHBondContact O-N 2.72Å
48V96.2Very high93.3Very high30 Ų3039.1 Ų39.118%0.18223%0.227CC..EExtended strand (participates in β ladder)trans-134.9144.1-178.9-173.90000109.1V3 V4 G5 L83 I85V3-V48 PolarHBondContact O-N 2.84Å; V3-V48 VanDerWaalsContact O-N 3.17Å; V4-V48 CarbonylContact C-O 3.54Å; V4-V48 WeakPolarHBondContact CA-O 3.35Å; V4-V48 HydrophobicContact CG1-CB 4.29Å; V4-V48 HydrophobicContact CG1-CG1 4.37Å; V4-V48 HydrophobicContact CG2-CB 4.24Å; G5-V48 PolarHBondContact N-O 3.32Å; V48-L83 CarbonylContact C-O 3.5Å; V48-L83 WeakPolarHBondContact CA-O 3.47Å; V48-L83 HydrophobicContact CG1-CB 4.46Å; V48-L83 HydrophobicContact CG1-CD2 4.42Å; V48-L83 HydrophobicContact CG1-CG 4.47Å; V48-L83 WeakPolarHBondContact CG1-O 3.43Å; V48-L83 HydrophobicContact CG2-CB 4.31Å; V48-L83 HydrophobicContact CG2-CD2 4.43Å; V48-I85 HydrophobicContact CG1-CD1 4.16Å; V48-I85 HydrophobicContact CG1-CG1 3.89Å
49V96.7Very high93.1Very high0 Ų037.7 Ų37.70%023%0.23CC..EExtended strand (participates in β ladder)trans-121.7117.4170175.90000109.2G5 I34 I40 F46 H51 Y75 V82 L83 F84 I85G5-V49 CarbonylContact O-C 3.53Å; G5-V49 WeakPolarHBondContact O-CA 3.35Å; I34-V49 HydrophobicContact CD1-CG1 4.33Å; I40-V49 HydrophobicContact CD1-CG2 4.46Å; F46-V49 HydrophobicContact CB-CG2 4.23Å; V49-H51 HydrophobicContact CG1-CB 4.19Å; V49-Y75 HydrophobicContact CG2-CE1 4.41Å; V49-V82 HydrophobicContact CG2-CG1 3.86Å; V49-L83 PolarHBondContact N-O 2.78Å; V49-F84 HydrophobicContact CB-CD1 3.7Å; V49-F84 HydrophobicContact CB-CE1 3.73Å; V49-F84 HydrophobicContact CB-CG 4.39Å; V49-F84 HydrophobicContact CB-CZ 4.44Å; V49-F84 HydrophobicContact CG1-CD1 3.91Å; V49-F84 HydrophobicContact CG1-CE1 3.9Å; V49-F84 HydrophobicContact CG2-CD1 4.35Å; V49-F84 HydrophobicContact CG2-CE1 3.9Å; V49-F84 HydrophobicContact CG2-CZ 4.22Å; V49-I85 PolarHBondContact O-N 2.78Å
50L95Very high93.2Very high23 Ų2338 Ų3812%0.1223%0.229CC..EExtended strand (participates in β ladder)trans-100.5121.9169.8179.966.5000108.2V4 G5 V6 W7 M8 L18 I85 L267 F298V4-L50 HydrophobicContact CG1-CB 4.29Å; G5-L50 PolarHBondContact O-N 3.21Å; V6-L50 CarbonylContact C-O 3.58Å; V6-L50 WeakPolarHBondContact CA-O 3.47Å; W7-L50 PolarHBondContact N-O 2.88Å; M8-L50 HydrophobicContact CE-CD2 4.24Å; M8-L50 HydrophobicContact CE-CG 3.96Å; L18-L50 HydrophobicContact CD1-CD2 3.77Å; L50-I85 HydrophobicContact CD1-CB 3.99Å; L50-I85 HydrophobicContact CD1-CG1 4.33Å; L50-I85 HydrophobicContact CD1-CG2 4.06Å; L50-L267 HydrophobicContact CD1-CD1 3.51Å; L50-F298 HydrophobicContact CD1-CE2 3.54Å; L50-F298 HydrophobicContact CD1-CZ 3.98Å; L50-F298 HydrophobicContact CD2-CE2 4.46Å; L50-F298 HydrophobicContact CD2-CZ 4.23Å; L50-F298 HydrophobicContact CG-CE2 3.91Å; L50-F298 HydrophobicContact CG-CZ 4.19Å
51H94.7Very high93.1Very high4 Ų442.6 Ų42.62%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-141.6151.1-17070.491.5000113.5W7 V49 I53 F72 I85 D86 F298W7-H51 HydrophobicContact CB-CB 4.03Å; W7-H51 CarbonylContact O-C 3.55Å; W7-H51 WeakPolarHBondContact O-CA 3.36Å; W7-H51 WeakPolarHBondContact O-CB 3.33Å; V49-H51 HydrophobicContact CG1-CB 4.19Å; H51-I53 HydrophobicContact CB-CD1 4.35Å; H51-I53 HydrophobicContact CB-CG1 4.16Å; H51-F72 HydrophobicContact CB-CE2 4.49Å; H51-F72 HydrophobicContact CB-CZ 4.43Å; H51-F72 AromaticContact CD2-CZ 3.73Å; H51-F72 AromaticContact CE1-CE1 3.86Å; H51-F72 AromaticContact CE1-CZ 3.39Å; H51-F72 WeakPolarHBondContact CE1-CZ 3.28Å; H51-F72 AromaticContact CG-CE2 3.98Å; H51-F72 AromaticContact CG-CZ 3.54Å; H51-F72 AromaticContact ND1-CE1 3.79Å; H51-F72 AromaticContact ND1-CZ 3.32Å; H51-F72 VanDerWaalsContact ND1-CZ 3.32Å; H51-F72 WeakPolarHBondContact ND1-CZ 3.3Å; H51-F72 AromaticContact NE2-CZ 3.64Å; H51-I85 PolarHBondContact CD2-O 3.25Å; H51-I85 PolarHBondContact NE2-O 2.93Å; H51-D86 PolarHBondContact CE1-O 2.8Å; H51-D86 PolarHBondContact NE2-O 3.17Å; H51-F298 WeakPolarHBondContact O-CD2 3.49Å
52K93.1Very high93.3Very high49 Ų4941.2 Ų41.221%0.21325%0.251CS..EExtended strand (participates in β ladder)trans-151.266.5169.7-164.5178.9-169.5166.90108.2W7 M8 K12 P54 L57 I297 F298W7-K52 PolarHBondContact O-N 3.45Å; M8-K52 HydrophobicContact CB-CB 3.9Å; K12-K52 HydrophobicContact CD-CD 3.96Å; K12-K52 HydrophobicContact CG-CD 4.09Å; K52-P54 VanDerWaalsContact O-CD 3.3Å; K52-P54 WeakPolarHBondContact O-CD 3.38Å; K52-L57 HydrophobicContact CD-CD1 4.48Å; K52-L57 HydrophobicContact CG-CD1 3.5Å; K52-L57 VanDerWaalsContact CG-CD1 3.5Å; K52-I297 WeakPolarHBondContact CE-O 3.38Å; K52-I297 PolarHBondContact NZ-O 3Å; K52-F298 HydrophobicContact CB-CD2 4Å; K52-F298 HydrophobicContact CB-CE2 4.42Å; K52-F298 HydrophobicContact CB-CG 4.43Å; K52-F298 HydrophobicContact CD-CB 3.84Å; K52-F298 HydrophobicContact CD-CD1 4.5Å; K52-F298 HydrophobicContact CD-CD2 4.44Å; K52-F298 HydrophobicContact CD-CG 4.02Å; K52-F298 HydrophobicContact CG-CB 4.31Å; K52-F298 HydrophobicContact CG-CD2 4.47Å; K52-F298 HydrophobicContact CG-CG 4.48Å; K52-F298 PolarHBondContact NZ-O 3.17Å
53I94.2Very high93.3Very high0 Ų042.7 Ų42.70%026%0.255CS..  trans-76.1115.1-170.4-57.2169.6000109.4W7 H51 E55 F56 L57 I68 F72W7-I53 HydrophobicContact CB-CD1 4.42Å; W7-I53 HydrophobicContact CB-CG1 4.21Å; W7-I53 HydrophobicContact CD2-CD1 3.43Å; W7-I53 VanDerWaalsContact CD2-CD1 3.43Å; W7-I53 HydrophobicContact CD2-CG1 3.87Å; W7-I53 HydrophobicContact CE3-CD1 3.63Å; W7-I53 HydrophobicContact CG-CD1 3.79Å; W7-I53 HydrophobicContact CG-CG1 3.68Å; W7-I53 HydrophobicContact CH2-CD1 4.45Å; W7-I53 HydrophobicContact CZ2-CD1 4.28Å; W7-I53 HydrophobicContact CZ3-CD1 4.15Å; H51-I53 HydrophobicContact CB-CD1 4.35Å; H51-I53 HydrophobicContact CB-CG1 4.16Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 HydrophobicContact CG2-CB 4.44Å; I53-E55 PolarHBondContact O-N 3.46Å; I53-F56 HydrophobicContact CB-CB 3.91Å; I53-F56 HydrophobicContact CG2-CB 4.04Å; I53-F56 PolarHBondContact O-N 3.1Å; I53-L57 WeakPolarHBondContact O-CG 3.37Å; I53-L57 PolarHBondContact O-N 2.82Å; I53-I68 HydrophobicContact CG2-CG2 3.69Å; I53-F72 HydrophobicContact CD1-CB 4.05Å; I53-F72 HydrophobicContact CD1-CD1 3.68Å; I53-F72 HydrophobicContact CD1-CD2 3.64Å; I53-F72 HydrophobicContact CD1-CE1 3.95Å; I53-F72 HydrophobicContact CD1-CE2 3.93Å; I53-F72 HydrophobicContact CD1-CG 3.51Å; I53-F72 HydrophobicContact CD1-CZ 4.09Å
54P91.8Very high93.2Very high61 Ų6147.7 Ų47.740%0.39627%0.272SS..Hα-helixtrans-59.2-41.5-175.7-25.635.6000113.5K52 F56 L57 S58K52-P54 VanDerWaalsContact O-CD 3.3Å; K52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-F56 VanDerWaalsContact C-N 3.35Å; P54-F56 PolarHBondContact O-N 2.96Å; P54-L57 PolarHBondContact O-N 2.64Å; P54-S58 VanDerWaalsContact O-CB 3.3Å; P54-S58 WeakPolarHBondContact O-CB 3.38Å; P54-S58 PolarHBondContact O-N 3.09Å; P54-S58 PolarHBondContact O-OG 3.15Å
55E93.1Very high93.4Very high36 Ų3646.6 Ų46.617%0.16826%0.261CS..Hα-helixtrans-63.1-42.7180-64.887.3164.900111.1I53 S58 G59 D60 I68I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 HydrophobicContact CG2-CB 4.44Å; I53-E55 PolarHBondContact O-N 3.46Å; E55-S58 PolarHBondContact O-OG 3.34Å; E55-G59 PolarHBondContact O-N 3.46Å; E55-G59 VanDerWaalsContact O-N 3.14Å; E55-D60 HydrophobicContact CB-CB 3.98Å; E55-D60 HydrophobicContact CG-CB 4.31Å; E55-D60 PolarHBondContact O-N 3.36Å; E55-I68 HydrophobicContact CB-CG2 4.28Å; E55-I68 HydrophobicContact CG-CD1 4.03Å; E55-I68 WeakPolarHBondContact OE1-CD1 3.43Å
56F93.6Very high93.4Very high4 Ų445.8 Ų45.82%0.01825%0.248CC..Hα-helixtrans-64.7-49.3176.5-179.9-91.5000111.9I53 P54 S58 G59 I69 F72 I73 P88 L91 R92 L95I53-F56 HydrophobicContact CB-CB 3.91Å; I53-F56 HydrophobicContact CG2-CB 4.04Å; I53-F56 PolarHBondContact O-N 3.1Å; P54-F56 VanDerWaalsContact C-N 3.35Å; P54-F56 PolarHBondContact O-N 2.96Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 3.5Å; F56-G59 PolarHBondContact O-N 3.36Å; F56-I69 HydrophobicContact CB-CG1 4.2Å; F56-I69 HydrophobicContact CD2-CG1 4.36Å; F56-I69 HydrophobicContact CD2-CG2 4.14Å; F56-F72 AromaticContact CD2-CD1 3.89Å; F56-F72 HydrophobicContact CD2-CD1 3.89Å; F56-F72 HydrophobicContact CD2-CE1 4.23Å; F56-F72 HydrophobicContact CE2-CD1 4.28Å; F56-F72 HydrophobicContact CE2-CE1 4.39Å; F56-F72 HydrophobicContact CG-CD1 4.24Å; F56-F72 HydrophobicContact CG-CE1 4.34Å; F56-I73 HydrophobicContact CE2-CD1 4.33Å; F56-I73 HydrophobicContact CE2-CG1 4.39Å; F56-P88 HydrophobicContact CE2-CB 4.32Å; F56-P88 HydrophobicContact CZ-CB 4.3Å; F56-P88 VanDerWaalsContact CZ-O 3.3Å; F56-P88 WeakPolarHBondContact CZ-O 3.36Å; F56-L91 HydrophobicContact CE1-CB 3.72Å; F56-L91 HydrophobicContact CZ-CB 4.32Å; F56-R92 HydrophobicContact CZ-CB 4.13Å; F56-L95 HydrophobicContact CD1-CD2 4.45Å; F56-L95 HydrophobicContact CE1-CD2 4.15Å
57L92.8Very high93.3Very high11 Ų1152.8 Ų52.86%0.05828%0.278CS..Hα-helixtrans-68.8-31-176.3-67.5175.8000112.9K52 I53 P54 L91 L95 H150K52-L57 HydrophobicContact CD-CD1 4.48Å; K52-L57 HydrophobicContact CG-CD1 3.5Å; K52-L57 VanDerWaalsContact CG-CD1 3.5Å; I53-L57 WeakPolarHBondContact O-CG 3.37Å; I53-L57 PolarHBondContact O-N 2.82Å; P54-L57 PolarHBondContact O-N 2.64Å; L57-L91 HydrophobicContact CD2-CD1 4.36Å; L57-L95 HydrophobicContact CD2-CD2 4.39Å; L57-H150 HydrophobicContact CB-CB 3.84Å
58S90.5Very high93.2Very high44 Ų4450.8 Ų50.831%0.30827%0.268SS..Hα-helixtrans-85.8-8.7176.560.30000114.2P54 E55 F56P54-S58 VanDerWaalsContact O-CB 3.3Å; P54-S58 WeakPolarHBondContact O-CB 3.38Å; P54-S58 PolarHBondContact O-N 3.09Å; P54-S58 PolarHBondContact O-OG 3.15Å; E55-S58 PolarHBondContact O-OG 3.34Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 3.5Å
59G87.9Confident93.1Very high44 Ų4450.6 Ų50.645%0.45427%0.265SS..THydrogen-bonded Turntrans63.640.9-173.300000112.6E55 F56 S61E55-G59 PolarHBondContact O-N 3.46Å; E55-G59 VanDerWaalsContact O-N 3.14Å; F56-G59 PolarHBondContact O-N 3.36Å; G59-S61 PolarHBondContact O-N 2.93Å; G59-S61 VanDerWaalsContact O-N 3.15Å
60D90.4Very high92.9Very high49 Ų4955.7 Ų55.726%0.26229%0.289SS..  trans-58.3116.7-174.7-175.93.1000111.9E55 S62E55-D60 HydrophobicContact CB-CB 3.98Å; E55-D60 HydrophobicContact CG-CB 4.31Å; E55-D60 PolarHBondContact O-N 3.36Å; D60-S62 VanDerWaalsContact CG-OG 3.24Å; D60-S62 WeakPolarHBondContact OD1-CB 3.39Å; D60-S62 PolarHBondContact OD1-N 3.49Å; D60-S62 PolarHBondContact OD1-OG 3.24Å; D60-S62 PolarHBondContact OD2-OG 3.43Å
61S90.6Very high92.8Very high96 Ų9656 Ų5667%0.67129%0.294SS*.  trans-88.5-0-179.660.70000113.6G59 Q66G59-S61 PolarHBondContact O-N 2.93Å; G59-S61 VanDerWaalsContact O-N 3.15Å; S61-Q66 PolarHBondContact O-NE2 2.85Å; S61-Q66 VanDerWaalsContact O-NE2 3.15Å
62S94.6Very high92.8Very high47 Ų4755.9 Ų55.933%0.32929%0.293SS..SBendtrans-63.6152.8172.879.10000111D60 R64 G65 Q66D60-S62 VanDerWaalsContact CG-OG 3.24Å; D60-S62 WeakPolarHBondContact OD1-CB 3.39Å; D60-S62 PolarHBondContact OD1-N 3.49Å; D60-S62 PolarHBondContact OD1-OG 3.24Å; D60-S62 PolarHBondContact OD2-OG 3.43Å; S62-R64 PolarHBondContact O-N 2.86Å; S62-R64 VanDerWaalsContact O-N 3.13Å; S62-G65 PolarHBondContact O-N 2.93Å; S62-G65 VanDerWaalsContact O-N 3.1Å; S62-G65 PolarHBondContact OG-N 3.24Å; S62-Q66 WeakPolarHBondContact O-CG 3.32Å; S62-Q66 PolarHBondContact O-N 3.01Å
63K94.1Very high92.8Very high179 Ų17955.1 Ų55.178%0.77829%0.291SS*.Hα-helixtrans-55.6-33.6176.7-69.3-175.7179.11800112.7K67K63-K67 VanDerWaalsContact O-CG 3.3Å; K63-K67 WeakPolarHBondContact O-CG 3.49Å; K63-K67 PolarHBondContact O-N 3.14Å
64R92.3Very high92.8Very high143 Ų14359.1 Ų59.154%0.5431%0.312SS..Hα-helixtrans-72.4-48.3176.7176.8179.7171.7141.92.9110.8S62 Q66 K67 I68S62-R64 PolarHBondContact O-N 2.86Å; S62-R64 VanDerWaalsContact O-N 3.13Å; R64-Q66 PolarHBondContact O-N 3.05Å; R64-K67 PolarHBondContact O-N 3.34Å; R64-I68 HydrophobicContact CG-CD1 3.99Å; R64-I68 WeakPolarHBondContact O-CG1 3.21Å; R64-I68 PolarHBondContact O-N 3.01Å
65G93.3Very high93Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-58.3-47.317800000112.2S62 K67 I68 I69S62-G65 PolarHBondContact O-N 2.93Å; S62-G65 VanDerWaalsContact O-N 3.1Å; S62-G65 PolarHBondContact OG-N 3.24Å; G65-K67 PolarHBondContact O-N 2.7Å; G65-I68 PolarHBondContact O-N 3.24Å; G65-I68 VanDerWaalsContact O-N 3.16Å; G65-I69 WeakPolarHBondContact O-CB 3.37Å; G65-I69 VanDerWaalsContact O-CG1 3.22Å; G65-I69 WeakPolarHBondContact O-CG1 3.22Å; G65-I69 PolarHBondContact O-N 2.88Å
66Q93.9Very high93.1Very high89 Ų8956.1 Ų56.142%0.41630%0.296SS..Hα-helixtrans-56.9-46.6175.4-71.4177.9-500112.2S61 S62 R64 I68 I69 E70S61-Q66 PolarHBondContact O-NE2 2.85Å; S61-Q66 VanDerWaalsContact O-NE2 3.15Å; S62-Q66 WeakPolarHBondContact O-CG 3.32Å; S62-Q66 PolarHBondContact O-N 3.01Å; R64-Q66 PolarHBondContact O-N 3.05Å; Q66-I68 PolarHBondContact O-N 3.27Å; Q66-I69 PolarHBondContact O-N 3.38Å; Q66-E70 WeakPolarHBondContact O-CB 3.44Å; Q66-E70 VanDerWaalsContact O-CG 3.26Å; Q66-E70 WeakPolarHBondContact O-CG 3.21Å; Q66-E70 PolarHBondContact O-N 2.96Å
67K93.8Very high93.2Very high151 Ų15163.7 Ų63.766%0.65733%0.328SS*.Hα-helixtrans-60.2-42.4176.2-77.4-179.8178.2-169.50112.9K63 R64 G65 S71K63-K67 VanDerWaalsContact O-CG 3.3Å; K63-K67 WeakPolarHBondContact O-CG 3.49Å; K63-K67 PolarHBondContact O-N 3.14Å; R64-K67 PolarHBondContact O-N 3.34Å; G65-K67 PolarHBondContact O-N 2.7Å; K67-S71 VanDerWaalsContact O-CB 3.23Å; K67-S71 WeakPolarHBondContact O-CB 3.3Å; K67-S71 PolarHBondContact O-N 3.35Å
68I93.8Very high93.3Very high7 Ų768.7 Ų68.74%0.03636%0.355CS..Hα-helixtrans-63.5-47.6177.4-72.3169.1000110.2W7 P36 I53 E55 R64 G65 Q66 S71 F72W7-I68 HydrophobicContact CZ2-CG2 3.89Å; P36-I68 HydrophobicContact CB-CD1 4.14Å; I53-I68 HydrophobicContact CG2-CG2 3.69Å; E55-I68 HydrophobicContact CB-CG2 4.28Å; E55-I68 HydrophobicContact CG-CD1 4.03Å; E55-I68 WeakPolarHBondContact OE1-CD1 3.43Å; R64-I68 HydrophobicContact CG-CD1 3.99Å; R64-I68 WeakPolarHBondContact O-CG1 3.21Å; R64-I68 PolarHBondContact O-N 3.01Å; G65-I68 PolarHBondContact O-N 3.24Å; G65-I68 VanDerWaalsContact O-N 3.16Å; Q66-I68 PolarHBondContact O-N 3.27Å; I68-S71 PolarHBondContact O-N 3.46Å; I68-F72 WeakPolarHBondContact O-CB 3.44Å; I68-F72 PolarHBondContact O-N 2.83Å
69I94.1Very high93.5Very high25 Ų2568.3 Ų68.313%0.12835%0.35CS..Hα-helixtrans-61.7-47.4179.3-68.3167.3000111.1F56 G65 Q66 F72 I73F56-I69 HydrophobicContact CB-CG1 4.2Å; F56-I69 HydrophobicContact CD2-CG1 4.36Å; F56-I69 HydrophobicContact CD2-CG2 4.14Å; G65-I69 WeakPolarHBondContact O-CB 3.37Å; G65-I69 VanDerWaalsContact O-CG1 3.22Å; G65-I69 WeakPolarHBondContact O-CG1 3.22Å; G65-I69 PolarHBondContact O-N 2.88Å; Q66-I69 PolarHBondContact O-N 3.38Å; I69-F72 PolarHBondContact O-N 3.15Å; I69-I73 HydrophobicContact CG2-CD1 3.71Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 WeakPolarHBondContact O-CB 3.28Å; I69-I73 WeakPolarHBondContact O-CG1 3.4Å; I69-I73 PolarHBondContact O-N 3.38Å
70E93.1Very high93.8Very high107 Ų10771.5 Ų71.550%0.536%0.363SS..Hα-helixtrans-62.5-45.3177.3-74.9171.6-172.500111.2Q66 F72 I73 N74Q66-E70 WeakPolarHBondContact O-CB 3.44Å; Q66-E70 VanDerWaalsContact O-CG 3.26Å; Q66-E70 WeakPolarHBondContact O-CG 3.21Å; Q66-E70 PolarHBondContact O-N 2.96Å; E70-F72 VanDerWaalsContact C-N 3.29Å; E70-F72 PolarHBondContact O-N 2.95Å; E70-I73 PolarHBondContact O-N 3Å; E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 PolarHBondContact O-N 3.01Å; E70-N74 PolarHBondContact O-ND2 3.1Å
71S93.1Very high94Very high31 Ų3175.9 Ų75.922%0.21738%0.381CS..Hα-helixtrans-58.4-42.9175.8-177.30000111.4K67 I68 Y75K67-S71 VanDerWaalsContact O-CB 3.23Å; K67-S71 WeakPolarHBondContact O-CB 3.3Å; K67-S71 PolarHBondContact O-N 3.35Å; I68-S71 PolarHBondContact O-N 3.46Å; S71-Y75 VanDerWaalsContact O-CB 3.23Å; S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 3.13Å
72F94.2Very high94.3Very high0 Ų071.7 Ų71.70%035%0.351CS..Hα-helixtrans-66.2-49.4179.7178.3-130.9000112.1W7 H51 I53 F56 I68 I69 E70 Y75 A76 F84 P88W7-F72 AromaticContact CE3-CD2 3.91Å; W7-F72 HydrophobicContact CE3-CD2 3.91Å; W7-F72 HydrophobicContact CH2-CB 4.04Å; W7-F72 HydrophobicContact CZ3-CB 3.88Å; W7-F72 AromaticContact CZ3-CD2 3.78Å; W7-F72 HydrophobicContact CZ3-CD2 3.78Å; W7-F72 HydrophobicContact CZ3-CG 4.24Å; H51-F72 HydrophobicContact CB-CE2 4.49Å; H51-F72 HydrophobicContact CB-CZ 4.43Å; H51-F72 AromaticContact CD2-CZ 3.73Å; H51-F72 AromaticContact CE1-CE1 3.86Å; H51-F72 AromaticContact CE1-CZ 3.39Å; H51-F72 WeakPolarHBondContact CE1-CZ 3.28Å; H51-F72 AromaticContact CG-CE2 3.98Å; H51-F72 AromaticContact CG-CZ 3.54Å; H51-F72 AromaticContact ND1-CE1 3.79Å; H51-F72 AromaticContact ND1-CZ 3.32Å; H51-F72 VanDerWaalsContact ND1-CZ 3.32Å; H51-F72 WeakPolarHBondContact ND1-CZ 3.3Å; H51-F72 AromaticContact NE2-CZ 3.64Å; I53-F72 HydrophobicContact CD1-CB 4.05Å; I53-F72 HydrophobicContact CD1-CD1 3.68Å; I53-F72 HydrophobicContact CD1-CD2 3.64Å; I53-F72 HydrophobicContact CD1-CE1 3.95Å; I53-F72 HydrophobicContact CD1-CE2 3.93Å; I53-F72 HydrophobicContact CD1-CG 3.51Å; I53-F72 HydrophobicContact CD1-CZ 4.09Å; F56-F72 AromaticContact CD2-CD1 3.89Å; F56-F72 HydrophobicContact CD2-CD1 3.89Å; F56-F72 HydrophobicContact CD2-CE1 4.23Å; F56-F72 HydrophobicContact CE2-CD1 4.28Å; F56-F72 HydrophobicContact CE2-CE1 4.39Å; F56-F72 HydrophobicContact CG-CD1 4.24Å; F56-F72 HydrophobicContact CG-CE1 4.34Å; I68-F72 WeakPolarHBondContact O-CB 3.44Å; I68-F72 PolarHBondContact O-N 2.83Å; I69-F72 PolarHBondContact O-N 3.15Å; E70-F72 VanDerWaalsContact C-N 3.29Å; E70-F72 PolarHBondContact O-N 2.95Å; F72-Y75 PolarHBondContact O-N 3.05Å; F72-A76 PolarHBondContact O-N 3.04Å; F72-A76 VanDerWaalsContact O-N 3.08Å; F72-F84 HydrophobicContact CD2-CE1 4.3Å; F72-F84 AromaticContact CE2-CD1 3.75Å; F72-F84 HydrophobicContact CE2-CD1 3.75Å; F72-F84 AromaticContact CE2-CE1 3.67Å; F72-F84 HydrophobicContact CE2-CE1 3.67Å; F72-F84 HydrophobicContact CZ-CD1 4.2Å; F72-P88 HydrophobicContact CD1-CB 4.02Å; F72-P88 HydrophobicContact CD1-CG 4.17Å; F72-P88 HydrophobicContact CE1-CB 3.49Å; F72-P88 VanDerWaalsContact CE1-CB 3.49Å; F72-P88 HydrophobicContact CE1-CG 3.56Å; F72-P88 HydrophobicContact CE2-CG 4.1Å; F72-P88 HydrophobicContact CZ-CB 3.97Å; F72-P88 HydrophobicContact CZ-CG 3.5Å
73I94.4Very high94.4Very high34 Ų3474.1 Ų74.117%0.17436%0.36CS..Hα-helixtrans-64.5-45.2179.6-68.5171.5000111.1F56 I69 E70 Y75 A76 K77 P88 M89F56-I73 HydrophobicContact CE2-CD1 4.33Å; F56-I73 HydrophobicContact CE2-CG1 4.39Å; I69-I73 HydrophobicContact CG2-CD1 3.71Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 WeakPolarHBondContact O-CB 3.28Å; I69-I73 WeakPolarHBondContact O-CG1 3.4Å; I69-I73 PolarHBondContact O-N 3.38Å; E70-I73 PolarHBondContact O-N 3Å; I73-Y75 PolarHBondContact O-N 3.12Å; I73-A76 PolarHBondContact O-N 2.6Å; I73-K77 WeakPolarHBondContact O-CB 3.46Å; I73-K77 PolarHBondContact O-N 2.9Å; I73-P88 HydrophobicContact CG1-CB 4.42Å; I73-M89 HydrophobicContact CB-CE 4.41Å; I73-M89 HydrophobicContact CD1-CE 4.33Å; I73-M89 HydrophobicContact CG1-CE 3.97Å; I73-M89 HydrophobicContact CG2-CE 3.77Å
74N94.3Very high94.5Very high83 Ų8366.6 Ų66.644%0.44433%0.328SS..Hα-helixtrans-65-40.2-179.9-72.9-25.3000111.5E70 K77 N78E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 PolarHBondContact O-N 3.01Å; E70-N74 PolarHBondContact O-ND2 3.1Å; N74-K77 PolarHBondContact O-N 3.38Å; N74-N78 WeakPolarHBondContact O-CB 3.46Å; N74-N78 VanDerWaalsContact O-CG 3.26Å; N74-N78 PolarHBondContact O-N 3.37Å; N74-N78 PolarHBondContact O-ND2 3.42Å
75Y95.4Very high94.6Very high16 Ų1661.6 Ų61.66%0.06331%0.311CS..Hα-helixtrans-63.6-44.6176.2-175.8-99.3000111.7I40 V49 S71 F72 I73 K77 N78 N79 F84I40-Y75 HydrophobicContact CB-CD2 4.38Å; I40-Y75 HydrophobicContact CB-CG 4.3Å; I40-Y75 HydrophobicContact CD1-CD1 3.47Å; I40-Y75 VanDerWaalsContact CD1-CD1 3.47Å; I40-Y75 HydrophobicContact CD1-CE1 3.66Å; I40-Y75 HydrophobicContact CD1-CG 4.03Å; I40-Y75 HydrophobicContact CG1-CD1 3.89Å; I40-Y75 HydrophobicContact CG1-CD2 4.16Å; I40-Y75 HydrophobicContact CG1-CE1 3.95Å; I40-Y75 HydrophobicContact CG1-CE2 4.18Å; I40-Y75 HydrophobicContact CG1-CG 4.04Å; I40-Y75 HydrophobicContact CG2-CD1 4Å; I40-Y75 HydrophobicContact CG2-CD2 3.59Å; I40-Y75 HydrophobicContact CG2-CE2 4.4Å; I40-Y75 HydrophobicContact CG2-CG 3.36Å; V49-Y75 HydrophobicContact CG2-CE1 4.41Å; S71-Y75 VanDerWaalsContact O-CB 3.23Å; S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 3.13Å; F72-Y75 PolarHBondContact O-N 3.05Å; I73-Y75 PolarHBondContact O-N 3.12Å; Y75-K77 VanDerWaalsContact C-N 3.34Å; Y75-K77 PolarHBondContact O-N 2.69Å; Y75-N78 PolarHBondContact O-N 3.39Å; Y75-N79 WeakPolarHBondContact CD2-ND2 3.44Å; Y75-N79 VanDerWaalsContact CE2-ND2 3.35Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.17Å; Y75-N79 WeakPolarHBondContact O-CB 3.38Å; Y75-N79 PolarHBondContact O-N 2.92Å; Y75-N79 PolarHBondContact O-ND2 2.97Å; Y75-F84 HydrophobicContact CD1-CE1 4.32Å; Y75-F84 AromaticContact CD1-CZ 3.71Å; Y75-F84 HydrophobicContact CD1-CZ 3.71Å; Y75-F84 HydrophobicContact CE1-CZ 4.01Å
76A95.2Very high94.7Very high19 Ų1961.7 Ų61.716%0.15731%0.312CS..Hα-helixtrans-61.6-41175.900000112.7F72 I73 F84 P88F72-A76 PolarHBondContact O-N 3.04Å; F72-A76 VanDerWaalsContact O-N 3.08Å; I73-A76 PolarHBondContact O-N 2.6Å; A76-F84 VanDerWaalsContact CA-CZ 3.45Å; A76-F84 HydrophobicContact CB-CD1 4.42Å; A76-F84 HydrophobicContact CB-CD2 4.14Å; A76-F84 HydrophobicContact CB-CE1 3.94Å; A76-F84 HydrophobicContact CB-CE2 3.64Å; A76-F84 HydrophobicContact CB-CZ 3.53Å; A76-P88 HydrophobicContact CB-CG 3.66Å
77K94.7Very high94.7Very high162 Ų16259.4 Ų59.470%0.70431%0.305SS*.Hα-helixtrans-65-43177.1-176-177.6-177.8-174.20112.7I73 N74 Y75 N79I73-K77 WeakPolarHBondContact O-CB 3.46Å; I73-K77 PolarHBondContact O-N 2.9Å; N74-K77 PolarHBondContact O-N 3.38Å; Y75-K77 VanDerWaalsContact C-N 3.34Å; Y75-K77 PolarHBondContact O-N 2.69Å; K77-N79 VanDerWaalsContact C-N 3.34Å
78N95Very high94.7Very high116 Ų11652.4 Ų52.462%0.6228%0.275SS*.Hα-helixtrans-82.5-12.7-175.1-67.7-20.8000113.3N74 Y75 P80N74-N78 WeakPolarHBondContact O-CB 3.46Å; N74-N78 VanDerWaalsContact O-CG 3.26Å; N74-N78 PolarHBondContact O-N 3.37Å; N74-N78 PolarHBondContact O-ND2 3.42Å; Y75-N78 PolarHBondContact O-N 3.39Å; N78-P80 VanDerWaalsContact C-CD 3.41Å; N78-P80 WeakPolarHBondContact O-CD 3.3Å
79N95.7Very high94.6Very high37 Ų3756.9 Ų56.920%0.19830%0.297CS..  trans-125.765.2-178.3-59.1-85.1000111.1Y75 K77 H81 V82Y75-N79 WeakPolarHBondContact CD2-ND2 3.44Å; Y75-N79 VanDerWaalsContact CE2-ND2 3.35Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.17Å; Y75-N79 WeakPolarHBondContact O-CB 3.38Å; Y75-N79 PolarHBondContact O-N 2.92Å; Y75-N79 PolarHBondContact O-ND2 2.97Å; K77-N79 VanDerWaalsContact C-N 3.34Å; N79-H81 PolarHBondContact O-N 3.49Å; N79-H81 VanDerWaalsContact O-N 3.08Å; N79-V82 HydrophobicContact CB-CB 4.35Å; N79-V82 HydrophobicContact CB-CG2 3.69Å; N79-V82 WeakPolarHBondContact O-CB 3.41Å; N79-V82 PolarHBondContact O-N 3.34Å
80P94.4Very high94.6Very high111 Ų11156.6 Ų56.672%0.72130%0.297SS*.THydrogen-bonded Turntrans-65.9-12.9-175.928.2-37.1000114.3N78 V82N78-P80 VanDerWaalsContact C-CD 3.41Å; N78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-V82 VanDerWaalsContact C-N 3.31Å
81H94.9Very high94.6Very high140 Ų14051.6 Ų51.665%0.64827%0.274SS*.THydrogen-bonded Turntrans-80.6-12.8174.960.8-85.2000113N79N79-H81 PolarHBondContact O-N 3.49Å; N79-H81 VanDerWaalsContact O-N 3.08Å
82V96.8Very high94.6Very high8 Ų856.9 Ų56.95%0.04829%0.289CS..SBendtrans-86.7126.6178.8-178.40000108.9F46 V49 N79 P80 F84F46-V82 VanDerWaalsContact O-CG2 3.27Å; F46-V82 WeakPolarHBondContact O-CG2 3.4Å; V49-V82 HydrophobicContact CG2-CG1 3.86Å; N79-V82 HydrophobicContact CB-CB 4.35Å; N79-V82 HydrophobicContact CB-CG2 3.69Å; N79-V82 WeakPolarHBondContact O-CB 3.41Å; N79-V82 PolarHBondContact O-N 3.34Å; P80-V82 VanDerWaalsContact C-N 3.31Å; V82-F84 HydrophobicContact CB-CE2 3.92Å; V82-F84 HydrophobicContact CG1-CD2 4.4Å; V82-F84 HydrophobicContact CG1-CE2 3.87Å; V82-F84 HydrophobicContact CG1-CZ 4.19Å; V82-F84 WeakPolarHBondContact O-CD2 3.41Å; V82-F84 PolarHBondContact O-N 3.17Å
83L96Very high94.6Very high98 Ų9860.6 Ų60.651%0.51331%0.314SS..EExtended strand (participates in β ladder)trans-78.6119175.2177.365.1000109.8D47 V48 V49 I85D47-L83 PolarHBondContact O-N 2.72Å; V48-L83 CarbonylContact C-O 3.5Å; V48-L83 WeakPolarHBondContact CA-O 3.47Å; V48-L83 HydrophobicContact CG1-CB 4.46Å; V48-L83 HydrophobicContact CG1-CD2 4.42Å; V48-L83 HydrophobicContact CG1-CG 4.47Å; V48-L83 WeakPolarHBondContact CG1-O 3.43Å; V48-L83 HydrophobicContact CG2-CB 4.31Å; V48-L83 HydrophobicContact CG2-CD2 4.43Å; V49-L83 PolarHBondContact N-O 2.78Å; L83-I85 HydrophobicContact CD2-CD1 3.92Å; L83-I85 HydrophobicContact CG-CD1 4.17Å
84F96.4Very high94.6Very high22 Ų2259 Ų5910%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-95.5116168.1-68.5-99.9000108.2V49 F72 Y75 A76 V82 D86 P88V49-F84 HydrophobicContact CB-CD1 3.7Å; V49-F84 HydrophobicContact CB-CE1 3.73Å; V49-F84 HydrophobicContact CB-CG 4.39Å; V49-F84 HydrophobicContact CB-CZ 4.44Å; V49-F84 HydrophobicContact CG1-CD1 3.91Å; V49-F84 HydrophobicContact CG1-CE1 3.9Å; V49-F84 HydrophobicContact CG2-CD1 4.35Å; V49-F84 HydrophobicContact CG2-CE1 3.9Å; V49-F84 HydrophobicContact CG2-CZ 4.22Å; F72-F84 HydrophobicContact CD2-CE1 4.3Å; F72-F84 AromaticContact CE2-CD1 3.75Å; F72-F84 HydrophobicContact CE2-CD1 3.75Å; F72-F84 AromaticContact CE2-CE1 3.67Å; F72-F84 HydrophobicContact CE2-CE1 3.67Å; F72-F84 HydrophobicContact CZ-CD1 4.2Å; Y75-F84 HydrophobicContact CD1-CE1 4.32Å; Y75-F84 AromaticContact CD1-CZ 3.71Å; Y75-F84 HydrophobicContact CD1-CZ 3.71Å; Y75-F84 HydrophobicContact CE1-CZ 4.01Å; A76-F84 VanDerWaalsContact CA-CZ 3.45Å; A76-F84 HydrophobicContact CB-CD1 4.42Å; A76-F84 HydrophobicContact CB-CD2 4.14Å; A76-F84 HydrophobicContact CB-CE1 3.94Å; A76-F84 HydrophobicContact CB-CE2 3.64Å; A76-F84 HydrophobicContact CB-CZ 3.53Å; V82-F84 HydrophobicContact CB-CE2 3.92Å; V82-F84 HydrophobicContact CG1-CD2 4.4Å; V82-F84 HydrophobicContact CG1-CE2 3.87Å; V82-F84 HydrophobicContact CG1-CZ 4.19Å; V82-F84 WeakPolarHBondContact O-CD2 3.41Å; V82-F84 PolarHBondContact O-N 3.17Å; F84-D86 PolarHBondContact O-N 3.24Å; F84-D86 VanDerWaalsContact O-N 3.15Å; F84-P88 HydrophobicContact CD1-CG 4.5Å
85I94.9Very high94.7Very high37 Ų3756.5 Ų56.519%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-67.2114.9167.5-53.4-58.7000106.1V48 V49 L50 H51 L83 D266 L267V48-I85 HydrophobicContact CG1-CD1 4.16Å; V48-I85 HydrophobicContact CG1-CG1 3.89Å; V49-I85 PolarHBondContact O-N 2.78Å; L50-I85 HydrophobicContact CD1-CB 3.99Å; L50-I85 HydrophobicContact CD1-CG1 4.33Å; L50-I85 HydrophobicContact CD1-CG2 4.06Å; H51-I85 PolarHBondContact CD2-O 3.25Å; H51-I85 PolarHBondContact NE2-O 2.93Å; L83-I85 HydrophobicContact CD2-CD1 3.92Å; L83-I85 HydrophobicContact CG-CD1 4.17Å; I85-D266 HydrophobicContact CG2-CB 4.33Å; I85-L267 HydrophobicContact CG2-CD1 3.54Å; I85-L267 HydrophobicContact CG2-CG 3.73Å
86D95.1Very high94.7Very high3 Ų357 Ų572%0.01630%0.297CS..SBendtrans59.696.1-164.4-54.5-31.7000113.3H51 F84 L91 I265 D266 L267H51-D86 PolarHBondContact CE1-O 2.8Å; H51-D86 PolarHBondContact NE2-O 3.17Å; F84-D86 PolarHBondContact O-N 3.24Å; F84-D86 VanDerWaalsContact O-N 3.15Å; D86-L91 HydrophobicContact CB-CD1 3.92Å; D86-L91 HydrophobicContact CB-CD2 3.87Å; D86-L91 HydrophobicContact CB-CG 3.86Å; D86-I265 HydrophobicContact CB-CG2 4.36Å; D86-I265 WeakPolarHBondContact OD1-CA 3.11Å; D86-I265 VanDerWaalsContact OD1-CB 3.32Å; D86-I265 WeakPolarHBondContact OD1-CB 3.06Å; D86-D266 PolarHBondContact OD1-N 3.14Å; D86-L267 PolarHBondContact OD1-N 3.38Å; D86-L267 WeakPolarHBondContact OD2-CB 3.33Å
87S93.7Very high94.8Very high40 Ų4056.1 Ų56.128%0.2829%0.29SS..  trans-59.8145.5-176.889.30000112.1M89 S90 L91S87-M89 PolarHBondContact O-N 3.2Å; S87-M89 VanDerWaalsContact O-N 3.13Å; S87-M89 PolarHBondContact OG-N 3.36Å; S87-S90 WeakPolarHBondContact O-CB 3.43Å; S87-S90 PolarHBondContact O-N 2.93Å; S87-S90 VanDerWaalsContact O-N 3.1Å; S87-S90 WeakPolarHBondContact OG-CB 3.45Å; S87-S90 PolarHBondContact OG-N 3.49Å; S87-S90 PolarHBondContact OG-OG 2.95Å; S87-L91 PolarHBondContact O-N 3.44Å
88P92.9Very high94.9Very high4 Ų450.9 Ų50.93%0.02627%0.269CS..Hα-helixtrans-54.9-33.7174.6-109.7000112.5F56 F72 I73 A76 F84 R92F56-P88 HydrophobicContact CE2-CB 4.32Å; F56-P88 HydrophobicContact CZ-CB 4.3Å; F56-P88 VanDerWaalsContact CZ-O 3.3Å; F56-P88 WeakPolarHBondContact CZ-O 3.36Å; F72-P88 HydrophobicContact CD1-CB 4.02Å; F72-P88 HydrophobicContact CD1-CG 4.17Å; F72-P88 HydrophobicContact CE1-CB 3.49Å; F72-P88 VanDerWaalsContact CE1-CB 3.49Å; F72-P88 HydrophobicContact CE1-CG 3.56Å; F72-P88 HydrophobicContact CE2-CG 4.1Å; F72-P88 HydrophobicContact CZ-CB 3.97Å; F72-P88 HydrophobicContact CZ-CG 3.5Å; I73-P88 HydrophobicContact CG1-CB 4.42Å; A76-P88 HydrophobicContact CB-CG 3.66Å; F84-P88 HydrophobicContact CD1-CG 4.5Å; P88-R92 VanDerWaalsContact O-CB 3.28Å; P88-R92 WeakPolarHBondContact O-CB 2.93Å; P88-R92 PolarHBondContact O-N 3.21Å
89M91.9Very high95Very high102 Ų10248.7 Ų48.750%0.50226%0.258SS..Hα-helixtrans-70.5-41.4-179.9-61.7-59.110000111.5I73 S87I73-M89 HydrophobicContact CB-CE 4.41Å; I73-M89 HydrophobicContact CD1-CE 4.33Å; I73-M89 HydrophobicContact CG1-CE 3.97Å; I73-M89 HydrophobicContact CG2-CE 3.77Å; S87-M89 PolarHBondContact O-N 3.2Å; S87-M89 VanDerWaalsContact O-N 3.13Å; S87-M89 PolarHBondContact OG-N 3.36Å
90S94Very high95.1Very high18 Ų1847 Ų4713%0.12625%0.248CC..Hα-helixtrans-59.9-51.6173.4-55.90000110.7S87 R92 C93 L263 K264S87-S90 WeakPolarHBondContact O-CB 3.43Å; S87-S90 PolarHBondContact O-N 2.93Å; S87-S90 VanDerWaalsContact O-N 3.1Å; S87-S90 WeakPolarHBondContact OG-CB 3.45Å; S87-S90 PolarHBondContact OG-N 3.49Å; S87-S90 PolarHBondContact OG-OG 2.95Å; S90-R92 VanDerWaalsContact C-N 3.33Å; S90-R92 PolarHBondContact O-N 2.88Å; S90-C93 PolarHBondContact O-N 2.65Å; S90-L263 WeakPolarHBondContact CB-O 3.48Å; S90-K264 WeakPolarHBondContact CB-O 3.49Å; S90-K264 PolarHBondContact OG-O 3.49Å
91L94.6Very high95.3Very high3 Ų341.7 Ų41.72%0.01621%0.214CC..Hα-helixtrans-68.5-29.5-176.6-66.6-167.9000113.6F56 L57 D86 S87 C93 L94 L95 I265 I297F56-L91 HydrophobicContact CE1-CB 3.72Å; F56-L91 HydrophobicContact CZ-CB 4.32Å; L57-L91 HydrophobicContact CD2-CD1 4.36Å; D86-L91 HydrophobicContact CB-CD1 3.92Å; D86-L91 HydrophobicContact CB-CD2 3.87Å; D86-L91 HydrophobicContact CB-CG 3.86Å; S87-L91 PolarHBondContact O-N 3.44Å; L91-C93 PolarHBondContact O-N 2.86Å; L91-L94 HydrophobicContact CD2-CD1 4.45Å; L91-L94 WeakPolarHBondContact O-CA 3.14Å; L91-L94 PolarHBondContact O-N 2.82Å; L91-L95 PolarHBondContact O-N 2.86Å; L91-I265 HydrophobicContact CD2-CG2 3.74Å; L91-I297 HydrophobicContact CD1-CG2 4.17Å; L91-I297 HydrophobicContact CD2-CD1 3.97Å; L91-I297 HydrophobicContact CD2-CG1 4.15Å; L91-I297 HydrophobicContact CD2-CG2 3.75Å
92R92.9Very high95.5Very high142 Ų14237 Ų3754%0.53620%0.197SC..Hα-helixtrans-59-32.8177-174175.4174.5103.5-1111.9F56 P88 S90 L94F56-R92 HydrophobicContact CZ-CB 4.13Å; P88-R92 VanDerWaalsContact O-CB 3.28Å; P88-R92 WeakPolarHBondContact O-CB 2.93Å; P88-R92 PolarHBondContact O-N 3.21Å; S90-R92 VanDerWaalsContact C-N 3.33Å; S90-R92 PolarHBondContact O-N 2.88Å; R92-L94 PolarHBondContact O-N 3.27Å
93C92.6Very high95.5Very high77 Ų7738.3 Ų38.352%0.5221%0.207SC..THydrogen-bonded Turntrans-71.8-15.3175.4-650000112.8S90 L91 N99S90-C93 PolarHBondContact O-N 2.65Å; L91-C93 PolarHBondContact O-N 2.86Å; C93-N99 WeakPolarHBondContact O-CB 3.32Å; C93-N99 PolarHBondContact O-ND2 2.92Å
94L95.9Very high95.7Very high2 Ų233.7 Ų33.71%0.0118%0.182CC..THydrogen-bonded Turntrans-109.89.9-171.5-56.4177000113.7L91 R92 T96 Q100 H150 L263 I265 L295 I297L91-L94 HydrophobicContact CD2-CD1 4.45Å; L91-L94 WeakPolarHBondContact O-CA 3.14Å; L91-L94 PolarHBondContact O-N 2.82Å; R92-L94 PolarHBondContact O-N 3.27Å; L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 2.69Å; L94-Q100 HydrophobicContact CB-CG 4.04Å; L94-Q100 HydrophobicContact CD2-CG 4.13Å; L94-Q100 WeakPolarHBondContact O-CG 3.28Å; L94-Q100 PolarHBondContact O-NE2 2.71Å; L94-H150 PolarHBondContact O-NE2 3.42Å; L94-L263 HydrophobicContact CD1-CB 4.42Å; L94-L263 HydrophobicContact CD1-CD1 4.07Å; L94-L263 HydrophobicContact CD2-CD1 3.99Å; L94-L263 HydrophobicContact CD2-CD2 4.15Å; L94-I265 HydrophobicContact CD1-CD1 3.89Å; L94-I265 HydrophobicContact CD1-CG2 4.1Å; L94-L295 HydrophobicContact CD2-CD2 4.49Å; L94-I297 HydrophobicContact CD1-CD1 3.93Å
95L94.7Very high95.8Very high29 Ų2936.7 Ų36.715%0.15220%0.197CC..SBendtrans-67.2-26.7-177.4-60.3-178.2000113.5F56 L57 L91 A149F56-L95 HydrophobicContact CD1-CD2 4.45Å; F56-L95 HydrophobicContact CE1-CD2 4.15Å; L57-L95 HydrophobicContact CD2-CD2 4.39Å; L91-L95 PolarHBondContact O-N 2.86Å; L95-A149 PolarHBondContact O-N 2.78Å
96T96.2Very high95.9Very high26 Ų2639.3 Ų39.316%0.1621%0.211CC..BIsolated β-bridgetrans-112.4145.1-179.876.50000110.9L94 L98 N99 Q100 L147 M148L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 2.69Å; T96-L98 PolarHBondContact O-N 3.06Å; T96-N99 PolarHBondContact O-N 3.03Å; T96-N99 VanDerWaalsContact OG1-CG 3.26Å; T96-N99 PolarHBondContact OG1-N 3.19Å; T96-N99 PolarHBondContact OG1-OD1 2.94Å; T96-Q100 WeakPolarHBondContact O-CG 3.35Å; T96-Q100 PolarHBondContact O-N 3.09Å; T96-L147 CarbonylContact C-O 3.57Å; T96-L147 WeakPolarHBondContact CA-O 3.38Å; T96-M148 HydrophobicContact CG2-CE 3.54Å
97R97.1Very high96.1Very high2 Ų239.4 Ų39.41%0.00821%0.212CC..Hα-helixtrans-59.6-36.5173.5-72.1-165.816589.40.3111.3N99 Q100 F101 S146 L147 M148 A149 V155 F175 D294R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 2.92Å; R97-Q100 PolarHBondContact O-N 3.45Å; R97-F101 HydrophobicContact CB-CD2 4.25Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 VanDerWaalsContact O-CD2 3.25Å; R97-F101 WeakPolarHBondContact O-CD2 3.17Å; R97-F101 PolarHBondContact O-N 2.65Å; R97-S146 WeakPolarHBondContact CD-O 3.35Å; R97-S146 PolarHBondContact NH1-O 3.47Å; R97-L147 PolarHBondContact N-O 3.47Å; R97-M148 PolarHBondContact NH1-O 2.79Å; R97-A149 HydrophobicContact CG-CB 3.76Å; R97-V155 PolarHBondContact NH1-O 3.4Å; R97-F175 HydrophobicContact CB-CB 4.4Å; R97-F175 HydrophobicContact CB-CD1 3.82Å; R97-F175 HydrophobicContact CB-CD2 4.05Å; R97-F175 HydrophobicContact CB-CE1 3.96Å; R97-F175 HydrophobicContact CB-CE2 4.22Å; R97-F175 HydrophobicContact CB-CG 3.83Å; R97-F175 HydrophobicContact CB-CZ 4.17Å; R97-F175 HydrophobicContact CG-CD1 4.45Å; R97-D294 IonicContact NE-OD1 4Å; R97-D294 IonicContact NH2-OD1 2.65Å; R97-D294 IonicContact NH2-OD2 3.87Å
98L97.5Very high96.3Very high52 Ų5238 Ų3827%0.27220%0.201SC..Hα-helixtrans-56.5-49.9177.2-173.665.9000111.1T96 F101 S102 F122 L124 L147T96-L98 PolarHBondContact O-N 3.06Å; L98-F101 PolarHBondContact O-N 2.86Å; L98-S102 WeakPolarHBondContact O-CB 3.1Å; L98-S102 PolarHBondContact O-N 3.32Å; L98-S102 PolarHBondContact O-OG 3.05Å; L98-S102 VanDerWaalsContact O-OG 3.08Å; L98-F122 HydrophobicContact CD1-CD2 4.17Å; L98-F122 HydrophobicContact CD1-CE2 3.95Å; L98-L124 HydrophobicContact CD2-CD2 4.32Å; L98-L147 HydrophobicContact CB-CD1 3.83Å
99N97.2Very high96.4Very high70 Ų7046.7 Ų46.737%0.37423%0.233SC..Hα-helixtrans-68.1-43.1179.7-64.8-3.6000112.1C93 T96 R97 F101 S102 S103C93-N99 WeakPolarHBondContact O-CB 3.32Å; C93-N99 PolarHBondContact O-ND2 2.92Å; T96-N99 PolarHBondContact O-N 3.03Å; T96-N99 VanDerWaalsContact OG1-CG 3.26Å; T96-N99 PolarHBondContact OG1-N 3.19Å; T96-N99 PolarHBondContact OG1-OD1 2.94Å; R97-N99 VanDerWaalsContact C-N 3.34Å; R97-N99 PolarHBondContact O-N 2.92Å; N99-F101 VanDerWaalsContact C-N 3.33Å; N99-F101 PolarHBondContact O-N 2.81Å; N99-S102 PolarHBondContact O-N 2.98Å; N99-S103 PolarHBondContact O-N 3.04Å; N99-S103 PolarHBondContact O-OG 3.11Å; N99-S103 VanDerWaalsContact O-OG 3.13Å
100Q98.1Very high96.6Very high0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-54.8-50.5176.7-70.6-179.2-13.400111.1L94 T96 R97 S103 L104 H150 L295L94-Q100 HydrophobicContact CB-CG 4.04Å; L94-Q100 HydrophobicContact CD2-CG 4.13Å; L94-Q100 WeakPolarHBondContact O-CG 3.28Å; L94-Q100 PolarHBondContact O-NE2 2.71Å; T96-Q100 WeakPolarHBondContact O-CG 3.35Å; T96-Q100 PolarHBondContact O-N 3.09Å; R97-Q100 PolarHBondContact O-N 3.45Å; Q100-S103 PolarHBondContact O-N 2.89Å; Q100-L104 WeakPolarHBondContact O-CB 3.16Å; Q100-L104 VanDerWaalsContact O-CG 3.25Å; Q100-L104 WeakPolarHBondContact O-CG 3.28Å; Q100-L104 PolarHBondContact O-N 3.41Å; Q100-H150 PolarHBondContact NE2-CE1 3.16Å; Q100-H150 PolarHBondContact NE2-NE2 2.99Å; Q100-H150 VanDerWaalsContact NE2-NE2 3.11Å; Q100-L295 HydrophobicContact CB-CD2 4.26Å; Q100-L295 HydrophobicContact CG-CD2 4.13Å; Q100-L295 PolarHBondContact NE2-O 3.16Å; Q100-L295 PolarHBondContact OE1-O 2.81Å
101F98.5Very high96.7Very high0 Ų048.6 Ų48.60%024%0.241CC..Hα-helixtrans-73.6-33.1-176.1-82.8-85.7000113.3R97 L98 N99 L104 Q105 V119 F122 F175 I292 I293R97-F101 HydrophobicContact CB-CD2 4.25Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 VanDerWaalsContact O-CD2 3.25Å; R97-F101 WeakPolarHBondContact O-CD2 3.17Å; R97-F101 PolarHBondContact O-N 2.65Å; L98-F101 PolarHBondContact O-N 2.86Å; N99-F101 VanDerWaalsContact C-N 3.33Å; N99-F101 PolarHBondContact O-N 2.81Å; F101-L104 HydrophobicContact CD1-CD1 4.47Å; F101-L104 HydrophobicContact CE1-CD1 4.48Å; F101-Q105 VanDerWaalsContact O-CB 3.26Å; F101-Q105 WeakPolarHBondContact O-CB 3.34Å; F101-Q105 PolarHBondContact O-N 2.88Å; F101-V119 HydrophobicContact CD1-CG1 3.61Å; F101-V119 HydrophobicContact CE1-CG1 4.26Å; F101-F122 HydrophobicContact CB-CD1 3.98Å; F101-F122 HydrophobicContact CB-CD2 4.34Å; F101-F122 HydrophobicContact CB-CE1 3.78Å; F101-F122 HydrophobicContact CB-CE2 4.13Å; F101-F122 HydrophobicContact CB-CG 4.27Å; F101-F122 HydrophobicContact CB-CZ 3.86Å; F101-F175 HydrophobicContact CB-CE2 4.36Å; F101-F175 HydrophobicContact CB-CZ 3.93Å; F101-F175 HydrophobicContact CD1-CZ 4.44Å; F101-F175 AromaticContact CD2-CE1 3.94Å; F101-F175 HydrophobicContact CD2-CE1 3.94Å; F101-F175 HydrophobicContact CD2-CE2 4.48Å; F101-F175 AromaticContact CD2-CZ 3.56Å; F101-F175 HydrophobicContact CD2-CZ 3.56Å; F101-F175 HydrophobicContact CE2-CE1 4.18Å; F101-F175 HydrophobicContact CE2-CZ 4.25Å; F101-F175 HydrophobicContact CG-CE1 4.4Å; F101-F175 AromaticContact CG-CZ 3.68Å; F101-F175 HydrophobicContact CG-CZ 3.68Å; F101-I292 HydrophobicContact CE1-CG2 4.48Å; F101-I293 WeakPolarHBondContact CZ-O 3.45Å
102S98.2Very high96.6Very high43 Ų4355 Ų5530%0.30128%0.275SS..Hα-helixtrans-60.5-49168.2-70.30000111.3L98 N99 L104 Q105 D106L98-S102 WeakPolarHBondContact O-CB 3.1Å; L98-S102 PolarHBondContact O-N 3.32Å; L98-S102 PolarHBondContact O-OG 3.05Å; L98-S102 VanDerWaalsContact O-OG 3.08Å; N99-S102 PolarHBondContact O-N 2.98Å; S102-L104 PolarHBondContact O-N 3.34Å; S102-Q105 PolarHBondContact O-N 2.77Å; S102-D106 PolarHBondContact O-N 3.45Å
103S98Very high96.6Very high35 Ų3548.6 Ų48.625%0.24525%0.252CS..Hα-helixtrans-64.7-41.2178.5-58.80000112.6N99 Q100 Q105 D106 I107N99-S103 PolarHBondContact O-N 3.04Å; N99-S103 PolarHBondContact O-OG 3.11Å; N99-S103 VanDerWaalsContact O-OG 3.13Å; Q100-S103 PolarHBondContact O-N 2.89Å; S103-Q105 VanDerWaalsContact C-N 3.33Å; S103-Q105 PolarHBondContact O-N 3.17Å; S103-D106 PolarHBondContact O-N 3.41Å; S103-I107 WeakPolarHBondContact O-CD1 3.37Å; S103-I107 WeakPolarHBondContact O-CG1 3.42Å; S103-I107 PolarHBondContact O-N 3.08Å
104L98.6Very high96.6Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-61.9-41.3175-73.4166.9000111.9Q100 F101 S102 D106 I107 I108 V119 V259 I292 L295Q100-L104 WeakPolarHBondContact O-CB 3.16Å; Q100-L104 VanDerWaalsContact O-CG 3.25Å; Q100-L104 WeakPolarHBondContact O-CG 3.28Å; Q100-L104 PolarHBondContact O-N 3.41Å; F101-L104 HydrophobicContact CD1-CD1 4.47Å; F101-L104 HydrophobicContact CE1-CD1 4.48Å; S102-L104 PolarHBondContact O-N 3.34Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 3.23Å; L104-I107 PolarHBondContact O-N 3.5Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.39Å; L104-V119 HydrophobicContact CB-CG2 3.95Å; L104-V259 HydrophobicContact CD2-CG1 4.49Å; L104-V259 HydrophobicContact CD2-CG2 3.94Å; L104-I292 HydrophobicContact CD1-CG2 3.88Å; L104-I292 HydrophobicContact CD2-CD1 4.3Å; L104-L295 HydrophobicContact CD1-CB 4.13Å; L104-L295 HydrophobicContact CD1-CD2 4.44Å
105Q98.3Very high96.4Very high86 Ų8655.4 Ų55.440%0.40227%0.273SS..Hα-helixtrans-61.9-42.7177.3-179.1172.56900111.3F101 S102 S103 R109 V119 F122F101-Q105 VanDerWaalsContact O-CB 3.26Å; F101-Q105 WeakPolarHBondContact O-CB 3.34Å; F101-Q105 PolarHBondContact O-N 2.88Å; S102-Q105 PolarHBondContact O-N 2.77Å; S103-Q105 VanDerWaalsContact C-N 3.33Å; S103-Q105 PolarHBondContact O-N 3.17Å; Q105-R109 VanDerWaalsContact O-CB 3.26Å; Q105-R109 WeakPolarHBondContact O-CB 3.4Å; Q105-R109 PolarHBondContact O-N 3.39Å; Q105-V119 HydrophobicContact CB-CB 4.38Å; Q105-V119 HydrophobicContact CB-CG2 4.42Å; Q105-F122 HydrophobicContact CB-CE1 4.37Å
106D98.2Very high96.3Very high91 Ų9156.9 Ų56.949%0.48728%0.28SS..Hα-helixtrans-64.9-45.1176-71.1-26.8000111.9S102 S103 L104 I108 R109 M110S102-D106 PolarHBondContact O-N 3.45Å; S103-D106 PolarHBondContact O-N 3.41Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-D106 PolarHBondContact O-N 3.23Å; D106-I108 PolarHBondContact O-N 2.83Å; D106-R109 PolarHBondContact O-N 2.87Å; D106-M110 WeakPolarHBondContact O-CG 3.37Å; D106-M110 PolarHBondContact O-N 2.94Å; D106-M110 VanDerWaalsContact O-N 3.09Å
107I98.4Very high96.3Very high6 Ų655.7 Ų55.73%0.03127%0.272CS..Hα-helixtrans-55.4-53176.3-71.7159.3000110.3S103 L104 R109 M110 S111 E258 V259 T262 L263S103-I107 WeakPolarHBondContact O-CD1 3.37Å; S103-I107 WeakPolarHBondContact O-CG1 3.42Å; S103-I107 PolarHBondContact O-N 3.08Å; L104-I107 PolarHBondContact O-N 3.5Å; I107-R109 PolarHBondContact O-N 3.33Å; I107-M110 PolarHBondContact O-N 3.03Å; I107-S111 WeakPolarHBondContact O-CB 3.49Å; I107-S111 PolarHBondContact O-N 3.32Å; I107-S111 VanDerWaalsContact O-N 3.17Å; I107-S111 PolarHBondContact O-OG 3.26Å; I107-E258 HydrophobicContact CG2-CB 3.89Å; I107-V259 HydrophobicContact CD1-CG2 4.39Å; I107-V259 HydrophobicContact CG2-CG2 4.24Å; I107-T262 HydrophobicContact CD1-CG2 3.99Å; I107-T262 HydrophobicContact CG1-CG2 3.6Å; I107-L263 HydrophobicContact CD1-CD1 4.39Å; I107-L263 HydrophobicContact CD1-CD2 3.85Å; I107-L263 HydrophobicContact CD1-CG 3.85Å
108I97.9Very high96.3Very high9 Ų957.7 Ų57.75%0.04628%0.281CS..Hα-helixtrans-62.8-46.7-178.1-66.4-54.5000110.6L104 D106 M110 S111 I113 R114 I117 V119 L255 I292L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.36Å; L104-I108 PolarHBondContact O-N 3.39Å; D106-I108 PolarHBondContact O-N 2.83Å; I108-M110 PolarHBondContact O-N 2.87Å; I108-S111 WeakPolarHBondContact CA-OG 3.26Å; I108-S111 PolarHBondContact O-N 3.01Å; I108-S111 PolarHBondContact O-OG 3.48Å; I108-I113 HydrophobicContact CD1-CD1 3.77Å; I108-I113 HydrophobicContact CD1-CG1 4.23Å; I108-R114 HydrophobicContact CG2-CB 4.19Å; I108-R114 WeakPolarHBondContact O-CB 3.36Å; I108-I117 HydrophobicContact CD1-CB 4.21Å; I108-I117 HydrophobicContact CD1-CG2 3.61Å; I108-I117 HydrophobicContact CG1-CG2 4.23Å; I108-I117 WeakPolarHBondContact CG2-O 3.45Å; I108-V119 HydrophobicContact CG1-CG2 4.32Å; I108-L255 HydrophobicContact CD1-CD1 3.76Å; I108-I292 HydrophobicContact CD1-CD1 4.09Å; I108-I292 HydrophobicContact CG1-CD1 4.16Å
109R96.4Very high96.3Very high187 Ų18756 Ų5671%0.70627%0.273SS*.Hα-helixtrans-55.8-37.3-179.8-177.5178.8-178.6170.52.1113Q105 D106 I107Q105-R109 VanDerWaalsContact O-CB 3.26Å; Q105-R109 WeakPolarHBondContact O-CB 3.4Å; Q105-R109 PolarHBondContact O-N 3.39Å; D106-R109 PolarHBondContact O-N 2.87Å; I107-R109 PolarHBondContact O-N 3.33Å
110M96Very high96.3Very high156 Ų15652.8 Ų52.877%0.76826%0.256SS*.Hα-helixtrans-88.4-5-178-63.6-57-60.100113.8D106 I107 I108D106-M110 WeakPolarHBondContact O-CG 3.37Å; D106-M110 PolarHBondContact O-N 2.94Å; D106-M110 VanDerWaalsContact O-N 3.09Å; I107-M110 PolarHBondContact O-N 3.03Å; I108-M110 PolarHBondContact O-N 2.87Å
111S95Very high96.4Very high5 Ų558.1 Ų58.14%0.03528%0.279CS..SBendtrans-99.3162.3-176.474.10000113I107 I108 I113 R114I107-S111 WeakPolarHBondContact O-CB 3.49Å; I107-S111 PolarHBondContact O-N 3.32Å; I107-S111 VanDerWaalsContact O-N 3.17Å; I107-S111 PolarHBondContact O-OG 3.26Å; I108-S111 WeakPolarHBondContact CA-OG 3.26Å; I108-S111 PolarHBondContact O-N 3.01Å; I108-S111 PolarHBondContact O-OG 3.48Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-I113 WeakPolarHBondContact OG-CG1 3.44Å; S111-R114 PolarHBondContact O-NH1 2.88Å
112D92.9Very high96.4Very high137 Ų13759.6 Ų59.673%0.73329%0.286SS*.THydrogen-bonded Turntrans-78.2-8.1175.2-68.5-31.6000113.6R114D112-R114 VanDerWaalsContact C-N 3.32Å; D112-R114 IonicContact OD1-NH1 3.48Å
113I93.7Very high96.4Very high7 Ų758.4 Ų58.44%0.03628%0.277CS..THydrogen-bonded Turntrans-90.16.8178.860.2166.1000113.1I108 S111 N115 E116 I117 L251 K254 L255I108-I113 HydrophobicContact CD1-CD1 3.77Å; I108-I113 HydrophobicContact CD1-CG1 4.23Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-I113 WeakPolarHBondContact OG-CG1 3.44Å; I113-N115 PolarHBondContact O-N 3.13Å; I113-E116 VanDerWaalsContact C-OE2 3.29Å; I113-E116 WeakPolarHBondContact CA-OE2 3.29Å; I113-E116 PolarHBondContact O-N 3.35Å; I113-E116 VanDerWaalsContact O-N 3.16Å; I113-I117 HydrophobicContact CB-CD1 4.4Å; I113-I117 HydrophobicContact CD1-CB 4.44Å; I113-I117 HydrophobicContact CD1-CD1 3.7Å; I113-I117 HydrophobicContact CG1-CD1 4.48Å; I113-I117 PolarHBondContact O-N 2.94Å; I113-L251 HydrophobicContact CB-CD1 3.71Å; I113-L251 HydrophobicContact CG2-CD1 3.53Å; I113-K254 HydrophobicContact CG2-CB 3.89Å; I113-K254 HydrophobicContact CG2-CD 4.02Å; I113-L255 HydrophobicContact CD1-CB 3.82Å; I113-L255 HydrophobicContact CD1-CD1 3.84Å; I113-L255 HydrophobicContact CD1-CG 4.44Å
114R92.8Very high96.4Very high126 Ų12659 Ų5948%0.47528%0.277SS..THydrogen-bonded Turntrans-65.8-15.2-176.470.8-176.2177.1-82.7-2.9114.8I108 S111 D112I108-R114 HydrophobicContact CG2-CB 4.19Å; I108-R114 WeakPolarHBondContact O-CB 3.36Å; S111-R114 PolarHBondContact O-NH1 2.88Å; D112-R114 VanDerWaalsContact C-N 3.32Å; D112-R114 IonicContact OD1-NH1 3.48Å
115N91Very high96.4Very high96 Ų9659 Ų5951%0.51328%0.277SS..THydrogen-bonded Turntrans-84.3-24.7177.7-64.1-35.7000111.2I113 K289I113-N115 PolarHBondContact O-N 3.13Å; N115-K289 WeakPolarHBondContact O-CE 3.45Å
116E93.1Very high96.4Very high61 Ų6158.2 Ų58.229%0.28528%0.281SS..THydrogen-bonded Turntrans-107.9-30.4-174.8-57.286.1166.700112.5I113 L251 K289 Y290I113-E116 VanDerWaalsContact C-OE2 3.29Å; I113-E116 WeakPolarHBondContact CA-OE2 3.29Å; I113-E116 PolarHBondContact O-N 3.35Å; I113-E116 VanDerWaalsContact O-N 3.16Å; E116-L251 HydrophobicContact CB-CD1 3.82Å; E116-L251 HydrophobicContact CB-CD2 3.76Å; E116-L251 HydrophobicContact CB-CG 4.47Å; E116-L251 HydrophobicContact CG-CD1 4.27Å; E116-L251 HydrophobicContact CG-CD2 4.4Å; E116-K289 CarbonylContact O-C 3.4Å; E116-K289 WeakPolarHBondContact O-CA 3.25Å; E116-Y290 PolarHBondContact O-N 3.31Å
117I95.8Very high96.3Very high1 Ų159.6 Ų59.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-121.2137.9-179.6-64.8164.7000109.7I108 I113 L251 L255 L272 Y290 I292I108-I117 HydrophobicContact CD1-CB 4.21Å; I108-I117 HydrophobicContact CD1-CG2 3.61Å; I108-I117 HydrophobicContact CG1-CG2 4.23Å; I108-I117 WeakPolarHBondContact CG2-O 3.45Å; I113-I117 HydrophobicContact CB-CD1 4.4Å; I113-I117 HydrophobicContact CD1-CB 4.44Å; I113-I117 HydrophobicContact CD1-CD1 3.7Å; I113-I117 HydrophobicContact CG1-CD1 4.48Å; I113-I117 PolarHBondContact O-N 2.94Å; I117-L251 HydrophobicContact CD1-CD1 3.76Å; I117-L251 HydrophobicContact CD1-CD2 4.21Å; I117-L251 HydrophobicContact CD1-CG 3.76Å; I117-L251 HydrophobicContact CG1-CD1 4.26Å; I117-L251 HydrophobicContact CG1-CD2 4.29Å; I117-L251 HydrophobicContact CG1-CG 4.35Å; I117-L255 HydrophobicContact CD1-CB 3.95Å; I117-L255 HydrophobicContact CD1-CD1 4.45Å; I117-L255 HydrophobicContact CD1-CD2 3.98Å; I117-L255 HydrophobicContact CD1-CG 4.34Å; I117-L272 HydrophobicContact CG2-CD2 4.45Å; I117-Y290 CarbonylContact C-O 3.47Å; I117-Y290 VanDerWaalsContact CA-O 3.29Å; I117-Y290 WeakPolarHBondContact CA-O 3.43Å; I117-I292 HydrophobicContact CG2-CD1 3.8Å; I117-I292 HydrophobicContact CG2-CG1 3.86Å
118F96.5Very high96.3Very high44 Ų4463.5 Ų63.519%0.19330%0.301CS..EExtended strand (participates in β ladder)trans-141.7165.7175.973-78.2000112.1P120 I180 A275 I280 K289 Y290 A291 I292F118-P120 HydrophobicContact CE2-CG 4.33Å; F118-I180 HydrophobicContact CE2-CD1 4.28Å; F118-I180 HydrophobicContact CE2-CG1 4.47Å; F118-I180 HydrophobicContact CZ-CD1 4.43Å; F118-I180 HydrophobicContact CZ-CG1 4.43Å; F118-I180 HydrophobicContact CZ-CG2 4.4Å; F118-A275 HydrophobicContact CE1-CB 4.1Å; F118-A275 HydrophobicContact CZ-CB 4.15Å; F118-I280 HydrophobicContact CD1-CD1 4.37Å; F118-I280 HydrophobicContact CE1-CD1 3.56Å; F118-I280 HydrophobicContact CE1-CG1 4.49Å; F118-I280 HydrophobicContact CZ-CD1 3.79Å; F118-I280 HydrophobicContact CZ-CG1 4.24Å; F118-K289 HydrophobicContact CD1-CB 4.32Å; F118-K289 HydrophobicContact CE1-CB 4.11Å; F118-Y290 VanDerWaalsContact CD1-O 3.26Å; F118-Y290 WeakPolarHBondContact CD1-O 3.46Å; F118-Y290 PolarHBondContact N-O 3.38Å; F118-A291 HydrophobicContact CD1-CB 4.29Å; F118-A291 HydrophobicContact CD2-CB 4.45Å; F118-A291 HydrophobicContact CE1-CB 3.61Å; F118-A291 HydrophobicContact CE2-CB 3.82Å; F118-A291 HydrophobicContact CZ-CB 3.36Å; F118-A291 WeakPolarHBondContact O-CA 3.46Å; F118-I292 PolarHBondContact O-N 3.09Å
119V98.1Very high96.2Very high16 Ų1665.2 Ų65.210%0.09731%0.309CS..  trans-105.7121.6171.2175.30000108.1F101 L104 Q105 I108 F122F101-V119 HydrophobicContact CD1-CG1 3.61Å; F101-V119 HydrophobicContact CE1-CG1 4.26Å; L104-V119 HydrophobicContact CB-CG2 3.95Å; Q105-V119 HydrophobicContact CB-CB 4.38Å; Q105-V119 HydrophobicContact CB-CG2 4.42Å; I108-V119 HydrophobicContact CG1-CG2 4.32Å; V119-F122 HydrophobicContact CG1-CD1 3.94Å; V119-F122 HydrophobicContact CG1-CE1 3.88Å
120P97.8Very high96.2Very high2 Ų258.3 Ų58.31%0.01329%0.289CS..  trans-53.1144.3173.6-25.434.2000111.3F118 F122 Q178 I180 A291 I292 I293F118-P120 HydrophobicContact CE2-CG 4.33Å; P120-F122 WeakPolarHBondContact O-CD1 3.18Å; P120-F122 PolarHBondContact O-N 3.41Å; P120-Q178 HydrophobicContact CB-CB 4.36Å; P120-I180 HydrophobicContact CB-CD1 4.41Å; P120-I180 HydrophobicContact CB-CG1 4.09Å; P120-I180 HydrophobicContact CG-CG1 3.91Å; P120-A291 HydrophobicContact CG-CB 3.83Å; P120-I292 WeakPolarHBondContact CD-O 3.46Å; P120-I293 HydrophobicContact CG-CG2 4.37Å
121K98.4Very high96.2Very high113 Ų11354.8 Ų54.849%0.49128%0.276SS..  trans-54137.9175.1-62.9-179.8-174-178.20110G137 I138 Q177 Q178K121-G137 WeakPolarHBondContact CD-O 3.33Å; K121-G137 PolarHBondContact NZ-O 2.87Å; K121-I138 HydrophobicContact CB-CD1 4.32Å; K121-I138 HydrophobicContact CB-CG1 3.68Å; K121-Q177 CarbonylContact O-C 3.58Å; K121-Q177 WeakPolarHBondContact O-CA 3.33Å; K121-Q178 HydrophobicContact CB-CB 4.43Å; K121-Q178 PolarHBondContact O-N 3.32Å
122F98.6Very high96.3Very high31 Ų3157.4 Ų57.414%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-141.9156.7-177.263.5-93.5000111.9L98 F101 Q105 V119 P120 F175 V176 Q177L98-F122 HydrophobicContact CD1-CD2 4.17Å; L98-F122 HydrophobicContact CD1-CE2 3.95Å; F101-F122 HydrophobicContact CB-CD1 3.98Å; F101-F122 HydrophobicContact CB-CD2 4.34Å; F101-F122 HydrophobicContact CB-CE1 3.78Å; F101-F122 HydrophobicContact CB-CE2 4.13Å; F101-F122 HydrophobicContact CB-CG 4.27Å; F101-F122 HydrophobicContact CB-CZ 3.86Å; Q105-F122 HydrophobicContact CB-CE1 4.37Å; V119-F122 HydrophobicContact CG1-CD1 3.94Å; V119-F122 HydrophobicContact CG1-CE1 3.88Å; P120-F122 WeakPolarHBondContact O-CD1 3.18Å; P120-F122 PolarHBondContact O-N 3.41Å; F122-F175 HydrophobicContact CB-CE2 3.9Å; F122-F175 HydrophobicContact CB-CZ 3.74Å; F122-F175 AromaticContact CD2-CE2 3.64Å; F122-F175 HydrophobicContact CD2-CE2 3.64Å; F122-F175 HydrophobicContact CD2-CZ 4.12Å; F122-F175 HydrophobicContact CE2-CE2 4.48Å; F122-F175 AromaticContact CG-CE2 3.98Å; F122-F175 HydrophobicContact CG-CE2 3.98Å; F122-F175 AromaticContact CG-CZ 3.99Å; F122-F175 HydrophobicContact CG-CZ 3.99Å; F122-V176 CarbonylContact C-O 3.45Å; F122-V176 WeakPolarHBondContact CA-O 3.25Å; F122-V176 VanDerWaalsContact CB-O 3.3Å; F122-V176 WeakPolarHBondContact CB-O 3.45Å; F122-Q177 HydrophobicContact CB-CG 3.69Å
123C98.4Very high96.6Very high17 Ų1751.2 Ų51.212%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-152.1168.5171.567.60000111.1A136 I138 V176C123-A136 HydrophobicContact CB-CB 3.81Å; C123-I138 HydrophobicContact CB-CD1 4.32Å; C123-V176 PolarHBondContact N-O 2.85Å; C123-V176 PolarHBondContact O-N 2.93Å
124L98.4Very high96.6Very high47 Ų4755.8 Ų55.825%0.24629%0.285CS..EExtended strand (participates in β ladder)trans-105.7124.6171.6-177.961.3000109.6L98 L147 P173 V174L98-L124 HydrophobicContact CD2-CD2 4.32Å; L124-L147 HydrophobicContact CD1-CB 4.32Å; L124-L147 HydrophobicContact CD1-CD1 3.9Å; L124-L147 HydrophobicContact CD1-CD2 4.22Å; L124-L147 HydrophobicContact CD1-CG 4.35Å; L124-L147 HydrophobicContact CD2-CD1 4.37Å; L124-L147 HydrophobicContact CD2-CD2 4.23Å; L124-P173 HydrophobicContact CD1-CB 4.15Å; L124-V174 WeakPolarHBondContact CD1-O 3.3Å
125L98.5Very high96.8Very high0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-100.4118.1169-60.5-174.5000109.1Q127 K132 L133 L167 Y172 P173 V174 V176L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-K132 HydrophobicContact CD2-CB 3.62Å; L125-K132 HydrophobicContact CD2-CD 4.13Å; L125-L133 HydrophobicContact CD1-CD2 4.12Å; L125-L133 HydrophobicContact CD2-CD2 4.39Å; L125-L167 HydrophobicContact CD1-CD2 4.28Å; L125-Y172 HydrophobicContact CB-CD1 4.2Å; L125-Y172 HydrophobicContact CB-CE1 3.97Å; L125-Y172 HydrophobicContact CD1-CE1 4.49Å; L125-P173 CarbonylContact O-C 3.49Å; L125-P173 VanDerWaalsContact O-CA 3.26Å; L125-P173 WeakPolarHBondContact O-CA 3.48Å; L125-V174 HydrophobicContact CB-CG1 3.91Å; L125-V174 PolarHBondContact N-O 3.39Å; L125-V174 PolarHBondContact O-N 2.93Å; L125-V176 HydrophobicContact CD1-CG2 3.79Å; L125-V176 HydrophobicContact CG-CG2 3.84Å
126S97.7Very high97.1Very high71 Ų7154 Ų5450%0.49728%0.284SS..SBendtrans-81.4-17.8174.6-57.20000113Y172S126-Y172 WeakPolarHBondContact O-CB 3.48Å
127Q97.7Very high97.3Very high120 Ų12052.7 Ų52.756%0.56129%0.288SS*.SBendtrans-162.8179.2-179.161.9-164.56.100108.5L125 E129 Y172L125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-E129 PolarHBondContact O-N 3.39Å; Q127-Y172 VanDerWaalsContact O-CE1 3.26Å; Q127-Y172 WeakPolarHBondContact O-CE1 3.34Å
128K96.7Very high97.4Very high87 Ų8753.2 Ų53.238%0.37829%0.29SS..SBendtrans-64.9101.9174.3-178.9176.7178.8-170.70110.7D164 L167 D168 Y172K128-D164 WeakPolarHBondContact CE-O 3.44Å; K128-L167 HydrophobicContact CD-CB 4.31Å; K128-L167 HydrophobicContact CG-CB 3.98Å; K128-L167 HydrophobicContact CG-CD1 4.37Å; K128-D168 WeakPolarHBondContact CD-OD1 3.31Å; K128-D168 WeakPolarHBondContact CE-OD1 3.41Å; K128-D168 IonicContact NZ-OD1 3.09Å; K128-D168 PolarHBondContact NZ-OD1 3.35Å; K128-D168 IonicContact NZ-OD2 3.73Å; K128-D168 PolarHBondContact NZ-OD2 3.09Å; K128-Y172 VanDerWaalsContact CA-OH 3.27Å; K128-Y172 WeakPolarHBondContact CA-OH 3.43Å; K128-Y172 HydrophobicContact CB-CE2 4.29Å; K128-Y172 WeakPolarHBondContact CB-OH 3.34Å; K128-Y172 VanDerWaalsContact N-CZ 3.34Å
129E96.1Very high97.4Very high46 Ų4654.6 Ų54.622%0.21531%0.305CS..  trans-143.978.9-175.5-167.5175173.700110.4Q127 T131 K132Q127-E129 PolarHBondContact O-N 3.39Å; E129-T131 WeakPolarHBondContact CG-OG1 3.33Å; E129-T131 PolarHBondContact O-N 3.47Å; E129-K132 HydrophobicContact CB-CD 4.47Å; E129-K132 VanDerWaalsContact CD-CD 3.44Å; E129-K132 HydrophobicContact CG-CB 4.45Å; E129-K132 HydrophobicContact CG-CD 4.12Å; E129-K132 HydrophobicContact CG-CG 4.01Å; E129-K132 PolarHBondContact O-N 3.06Å; E129-K132 WeakPolarHBondContact OE1-CE 3.29Å; E129-K132 IonicContact OE1-NZ 3.67Å; E129-K132 PolarHBondContact OE1-NZ 3.47Å; E129-K132 WeakPolarHBondContact OE2-CD 3.19Å; E129-K132 WeakPolarHBondContact OE2-CE 3.26Å; E129-K132 IonicContact OE2-NZ 3.54Å; E129-K132 PolarHBondContact OE2-NZ 2.92Å
130P96.2Very high97.3Very high41 Ų4155.2 Ų55.227%0.26631%0.306SS..Hα-helixtrans-57.8-30-178.8-2431.9000114.2K132 L133 C134 D164 L167P130-K132 PolarHBondContact O-N 2.88Å; P130-L133 VanDerWaalsContact O-CB 3.3Å; P130-L133 WeakPolarHBondContact O-CB 3.33Å; P130-L133 PolarHBondContact O-N 3.07Å; P130-C134 PolarHBondContact O-N 2.92Å; P130-D164 WeakPolarHBondContact CB-OD1 3.38Å; P130-D164 HydrophobicContact CG-CB 4.18Å; P130-L167 HydrophobicContact CB-CD1 4.37Å; P130-L167 HydrophobicContact CG-CD1 3.88Å
131T96.9Very high97.3Very high83 Ų8355.6 Ų55.651%0.50931%0.309SS..Hα-helixtrans-57.8-37.2-18049.50000112.1E129 L133 C134 E135E129-T131 WeakPolarHBondContact CG-OG1 3.33Å; E129-T131 PolarHBondContact O-N 3.47Å; T131-L133 VanDerWaalsContact C-N 3.27Å; T131-L133 PolarHBondContact O-N 3.32Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.35Å; T131-C134 VanDerWaalsContact O-N 3.08Å; T131-E135 WeakPolarHBondContact O-CG 3.42Å; T131-E135 PolarHBondContact O-N 3.32Å
132K97.5Very high97.3Very high60 Ų6050.2 Ų50.226%0.26129%0.285SS..Hα-helixtrans-63-29.9175.6-81.8-177.4175.1155.20113.8L125 E129 P130 C134 A136L125-K132 HydrophobicContact CD2-CB 3.62Å; L125-K132 HydrophobicContact CD2-CD 4.13Å; E129-K132 HydrophobicContact CB-CD 4.47Å; E129-K132 VanDerWaalsContact CD-CD 3.44Å; E129-K132 HydrophobicContact CG-CB 4.45Å; E129-K132 HydrophobicContact CG-CD 4.12Å; E129-K132 HydrophobicContact CG-CG 4.01Å; E129-K132 PolarHBondContact O-N 3.06Å; E129-K132 WeakPolarHBondContact OE1-CE 3.29Å; E129-K132 IonicContact OE1-NZ 3.67Å; E129-K132 PolarHBondContact OE1-NZ 3.47Å; E129-K132 WeakPolarHBondContact OE2-CD 3.19Å; E129-K132 WeakPolarHBondContact OE2-CE 3.26Å; E129-K132 IonicContact OE2-NZ 3.54Å; E129-K132 PolarHBondContact OE2-NZ 2.92Å; P130-K132 PolarHBondContact O-N 2.88Å; K132-C134 VanDerWaalsContact C-N 3.34Å; K132-A136 VanDerWaalsContact O-CB 3.29Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 3.04Å
133L97.7Very high97.3Very high6 Ų649.6 Ų49.63%0.03128%0.284CS..Hα-helixtrans-65.5-43.4173.9-58.2178000110.1L125 P130 T131 A136 G137 I138 Y140 I142 L167 V176L125-L133 HydrophobicContact CD1-CD2 4.12Å; L125-L133 HydrophobicContact CD2-CD2 4.39Å; P130-L133 VanDerWaalsContact O-CB 3.3Å; P130-L133 WeakPolarHBondContact O-CB 3.33Å; P130-L133 PolarHBondContact O-N 3.07Å; T131-L133 VanDerWaalsContact C-N 3.27Å; T131-L133 PolarHBondContact O-N 3.32Å; L133-A136 CarbonylContact O-C 3.56Å; L133-A136 PolarHBondContact O-N 3.11Å; L133-G137 PolarHBondContact O-N 3.25Å; L133-G137 VanDerWaalsContact O-N 3.09Å; L133-I138 HydrophobicContact CB-CB 4.49Å; L133-I138 HydrophobicContact CD2-CG2 4.49Å; L133-I138 PolarHBondContact O-N 3.34Å; L133-Y140 HydrophobicContact CD1-CE1 4.09Å; L133-Y140 HydrophobicContact CD1-CE2 4.48Å; L133-Y140 WeakPolarHBondContact CD1-OH 3.17Å; L133-I142 HydrophobicContact CD1-CD1 4.01Å; L133-I142 HydrophobicContact CD2-CD1 4.37Å; L133-L167 HydrophobicContact CD1-CD1 4.38Å; L133-V176 HydrophobicContact CD2-CB 4.33Å; L133-V176 HydrophobicContact CD2-CG1 3.73Å
134C95.1Very high97.3Very high103 Ų10349 Ų4970%0.69628%0.28SS*.Hα-helixtrans-64.5-44.9177.4-1720000111.6P130 T131 K132 A136 G137P130-C134 PolarHBondContact O-N 2.92Å; T131-C134 WeakPolarHBondContact O-CB 3.35Å; T131-C134 PolarHBondContact O-N 3.35Å; T131-C134 VanDerWaalsContact O-N 3.08Å; K132-C134 VanDerWaalsContact C-N 3.34Å; C134-A136 VanDerWaalsContact C-N 3.3Å; C134-A136 PolarHBondContact O-N 3.35Å; C134-G137 WeakPolarHBondContact O-CA 3.33Å; C134-G137 PolarHBondContact O-N 2.92Å
135E97.3Very high97.3Very high151 Ų15147.3 Ų47.371%0.70627%0.271SS*.Hα-helixtrans-59.7-39.2175.1-69.6168.8-172.600112.3T131 G137T131-E135 WeakPolarHBondContact O-CG 3.42Å; T131-E135 PolarHBondContact O-N 3.32Å; E135-G137 PolarHBondContact O-N 3.05Å
136A96.9Very high97.2Very high33 Ų3348.9 Ų48.927%0.27328%0.282SS..THydrogen-bonded Turntrans-76.1-3.5173.800000113.4C123 K132 L133 C134 I138C123-A136 HydrophobicContact CB-CB 3.81Å; K132-A136 VanDerWaalsContact O-CB 3.29Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 3.04Å; L133-A136 CarbonylContact O-C 3.56Å; L133-A136 PolarHBondContact O-N 3.11Å; C134-A136 VanDerWaalsContact C-N 3.3Å; C134-A136 PolarHBondContact O-N 3.35Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CD1 3.83Å; A136-I138 HydrophobicContact CB-CG1 3.99Å; A136-I138 PolarHBondContact O-N 3.31Å
137G97Very high97.1Very high34 Ų3447 Ų4735%0.35127%0.266SS..THydrogen-bonded Turntrans64.129.4-177.200000113.9K121 L133 C134 E135K121-G137 WeakPolarHBondContact CD-O 3.33Å; K121-G137 PolarHBondContact NZ-O 2.87Å; L133-G137 PolarHBondContact O-N 3.25Å; L133-G137 VanDerWaalsContact O-N 3.09Å; C134-G137 WeakPolarHBondContact O-CA 3.33Å; C134-G137 PolarHBondContact O-N 2.92Å; E135-G137 PolarHBondContact O-N 3.05Å
138I97.9Very high96.9Very high12 Ų1244.5 Ų44.56%0.06226%0.255CS..  trans-96.2135179.2-63.3172.3000109.3K121 C123 L133 A136 I142 Q178K121-I138 HydrophobicContact CB-CD1 4.32Å; K121-I138 HydrophobicContact CB-CG1 3.68Å; C123-I138 HydrophobicContact CB-CD1 4.32Å; L133-I138 HydrophobicContact CB-CB 4.49Å; L133-I138 HydrophobicContact CD2-CG2 4.49Å; L133-I138 PolarHBondContact O-N 3.34Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CD1 3.83Å; A136-I138 HydrophobicContact CB-CG1 3.99Å; A136-I138 PolarHBondContact O-N 3.31Å; I138-I142 HydrophobicContact CG2-CG2 3.41Å; I138-I142 VanDerWaalsContact CG2-CG2 3.41Å; I138-Q178 HydrophobicContact CG2-CB 4.46Å
139S96.1Very high96.7Very high73 Ų7340.5 Ų40.551%0.5124%0.238SC..  trans-120.7156.2175.966.50000111.3P141 Q178S139-P141 VanDerWaalsContact O-O 3.05Å; S139-Q178 PolarHBondContact O-NE2 2.95Å; S139-Q178 PolarHBondContact O-OE1 2.9Å
140Y97.2Very high96.5Very high29 Ų2939.1 Ų39.111%0.11423%0.231CC..SBendtrans-69.4147.6176.5-66.3-69.5000112.5L133 I142 V161 F162 D164 L167L133-Y140 HydrophobicContact CD1-CE1 4.09Å; L133-Y140 HydrophobicContact CD1-CE2 4.48Å; L133-Y140 WeakPolarHBondContact CD1-OH 3.17Å; Y140-I142 HydrophobicContact CD1-CB 4.46Å; Y140-I142 HydrophobicContact CD1-CD1 4.23Å; Y140-I142 HydrophobicContact CD1-CG1 3.93Å; Y140-I142 HydrophobicContact CD1-CG2 3.97Å; Y140-I142 HydrophobicContact CE1-CD1 3.66Å; Y140-I142 HydrophobicContact CE1-CG1 3.87Å; Y140-I142 HydrophobicContact CE1-CG2 4.28Å; Y140-V161 HydrophobicContact CD1-CG1 4.39Å; Y140-V161 WeakPolarHBondContact CD1-O 3.47Å; Y140-V161 HydrophobicContact CE1-CG1 3.89Å; Y140-F162 WeakPolarHBondContact CB-O 3.48Å; Y140-F162 VanDerWaalsContact CG-C 3.5Å; Y140-D164 WeakPolarHBondContact CE2-OD1 3.45Å; Y140-D164 VanDerWaalsContact CZ-OD1 3.24Å; Y140-D164 WeakPolarHBondContact OH-CA 3.17Å; Y140-D164 PolarHBondContact OH-N 3.28Å; Y140-D164 PolarHBondContact OH-OD1 3.17Å; Y140-L167 WeakPolarHBondContact OH-CD1 3.27Å
141P97.6Very high95.9Very high10 Ų1038.9 Ų38.97%0.06524%0.237CC..SBendcis-74.6155.80.126.4-26.6000112.9S139 I160 V161 F162 Q178 F179 H207S139-P141 VanDerWaalsContact O-O 3.05Å; P141-I160 HydrophobicContact CB-CG2 3.97Å; P141-V161 CarbonylContact C-O 3.56Å; P141-V161 WeakPolarHBondContact CA-O 3.26Å; P141-V161 WeakPolarHBondContact CB-O 3.3Å; P141-F162 HydrophobicContact CB-CD1 3.98Å; P141-F162 HydrophobicContact CB-CE1 4.27Å; P141-Q178 PolarHBondContact O-NE2 2.89Å; P141-F179 HydrophobicContact CB-CB 4.13Å; P141-F179 HydrophobicContact CB-CG 4.41Å; P141-F179 HydrophobicContact CG-CB 3.88Å; P141-F179 HydrophobicContact CG-CD1 3.9Å; P141-F179 HydrophobicContact CG-CG 3.93Å; P141-F179 WeakPolarHBondContact O-CB 3.41Å; P141-F179 PolarHBondContact O-N 2.92Å; P141-H207 HydrophobicContact CG-CB 4.1Å; P141-H207 WeakPolarHBondContact CG-O 3.33Å
142I98.1Very high95.2Very high0 Ų043.3 Ų43.30%025%0.249CC..EExtended strand (participates in β ladder)trans-119148.7176.463.3176.1000110L133 I138 Y140 I160 V161 L167 V176 Q177L133-I142 HydrophobicContact CD1-CD1 4.01Å; L133-I142 HydrophobicContact CD2-CD1 4.37Å; I138-I142 HydrophobicContact CG2-CG2 3.41Å; I138-I142 VanDerWaalsContact CG2-CG2 3.41Å; Y140-I142 HydrophobicContact CD1-CB 4.46Å; Y140-I142 HydrophobicContact CD1-CD1 4.23Å; Y140-I142 HydrophobicContact CD1-CG1 3.93Å; Y140-I142 HydrophobicContact CD1-CG2 3.97Å; Y140-I142 HydrophobicContact CE1-CD1 3.66Å; Y140-I142 HydrophobicContact CE1-CG1 3.87Å; Y140-I142 HydrophobicContact CE1-CG2 4.28Å; I142-I160 WeakPolarHBondContact O-CA 3.47Å; I142-V161 HydrophobicContact CD1-CB 4.08Å; I142-V161 HydrophobicContact CD1-CG1 4.38Å; I142-V161 HydrophobicContact CG1-CB 3.69Å; I142-V161 HydrophobicContact CG1-CG1 4.37Å; I142-V161 PolarHBondContact N-O 2.97Å; I142-V161 PolarHBondContact O-N 3.47Å; I142-L167 HydrophobicContact CD1-CD2 3.85Å; I142-V176 HydrophobicContact CB-CG1 3.76Å; I142-V176 HydrophobicContact CD1-CG1 3.64Å; I142-V176 HydrophobicContact CG1-CG1 4.12Å; I142-V176 HydrophobicContact CG2-CG1 4.15Å; I142-Q177 CarbonylContact C-O 3.56Å; I142-Q177 WeakPolarHBondContact CA-O 3.25Å
143V98.3Very high94.4Very high19 Ų1945.3 Ų45.312%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-98.6124.4170.4-178.50000108.2K145 I158 V176 Q177 F179V143-K145 HydrophobicContact CG1-CG 4.09Å; V143-I158 HydrophobicContact CG1-CG2 3.6Å; V143-V176 CarbonylContact O-C 3.58Å; V143-V176 WeakPolarHBondContact O-CA 3.06Å; V143-Q177 HydrophobicContact CB-CB 4.46Å; V143-Q177 PolarHBondContact N-O 3.42Å; V143-Q177 PolarHBondContact O-N 2.79Å; V143-F179 HydrophobicContact CG2-CB 4.03Å; V143-F179 HydrophobicContact CG2-CD2 3.58Å; V143-F179 HydrophobicContact CG2-CG 4.25Å
144C98.4Very high93.7Very high4 Ų448.6 Ų48.63%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-111.2127.2179.9-60.70000109.3I158 A159 L170 V174 F175C144-I158 WeakPolarHBondContact O-CA 3.31Å; C144-A159 HydrophobicContact CB-CB 4.18Å; C144-A159 PolarHBondContact N-O 2.7Å; C144-A159 PolarHBondContact O-N 3.47Å; C144-L170 HydrophobicContact CB-CD1 4.16Å; C144-L170 HydrophobicContact CB-CD2 4.12Å; C144-V174 HydrophobicContact CB-CG2 3.76Å; C144-F175 CarbonylContact C-O 3.53Å; C144-F175 WeakPolarHBondContact CA-O 3.38Å
145K97.5Very high93.4Very high12 Ų1244 Ų445%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-131.1161.2-179.4-52.2-174.3180-172.50110.1V143 I158 V174 F175 I293 D294V143-K145 HydrophobicContact CG1-CG 4.09Å; K145-I158 HydrophobicContact CG-CG1 4.26Å; K145-I158 HydrophobicContact CG-CG2 4.47Å; K145-V174 VanDerWaalsContact O-CG2 3.31Å; K145-V174 WeakPolarHBondContact O-CG2 3.1Å; K145-F175 HydrophobicContact CB-CD1 4.38Å; K145-F175 PolarHBondContact N-O 3.12Å; K145-F175 PolarHBondContact O-N 3.19Å; K145-I293 PolarHBondContact NZ-O 2.71Å; K145-D294 IonicContact NZ-OD2 2.67Å; K145-D294 PolarHBondContact NZ-OD2 3.11Å
146S96.3Very high92.9Very high33 Ų3338.4 Ų38.423%0.23123%0.229CC..EExtended strand (participates in β ladder)trans-56138.8168.41620000111.2R97 M148R97-S146 WeakPolarHBondContact CD-O 3.35Å; R97-S146 PolarHBondContact NH1-O 3.47Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 3.41Å; S146-M148 PolarHBondContact OG-N 3.03Å; S146-M148 VanDerWaalsContact OG-N 3.09Å; S146-M148 PolarHBondContact OG-O 2.92Å
147L96.2Very high92.7Very high30 Ų3043 Ų4316%0.15724%0.243CC..SBendtrans-59-41.2170.6173.661.6000111.7T96 R97 L98 L124 A149 P173T96-L147 CarbonylContact C-O 3.57Å; T96-L147 WeakPolarHBondContact CA-O 3.38Å; R97-L147 PolarHBondContact N-O 3.47Å; L98-L147 HydrophobicContact CB-CD1 3.83Å; L124-L147 HydrophobicContact CD1-CB 4.32Å; L124-L147 HydrophobicContact CD1-CD1 3.9Å; L124-L147 HydrophobicContact CD1-CD2 4.22Å; L124-L147 HydrophobicContact CD1-CG 4.35Å; L124-L147 HydrophobicContact CD2-CD1 4.37Å; L124-L147 HydrophobicContact CD2-CD2 4.23Å; L147-A149 PolarHBondContact O-N 2.88Å; L147-P173 HydrophobicContact CD2-CG 4.31Å
148M94.7Very high92.7Very high69 Ų6942.2 Ų42.234%0.3423%0.23SC..BIsolated β-bridgetrans-67.6130.2172.9-61.6-59.996.100108.8T96 R97 S146 V155T96-M148 HydrophobicContact CG2-CE 3.54Å; R97-M148 PolarHBondContact NH1-O 2.79Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 3.41Å; S146-M148 PolarHBondContact OG-N 3.03Å; S146-M148 VanDerWaalsContact OG-N 3.09Å; S146-M148 PolarHBondContact OG-O 2.92Å; M148-V155 HydrophobicContact CB-CG2 3.93Å; M148-V155 WeakPolarHBondContact O-CG1 3.11Å
149A92.3Very high92.6Very high2 Ų241.8 Ų41.82%0.01723%0.228CC..SBendtrans-87.4-22.3-179.800000112.8L95 R97 L147 V155L95-A149 PolarHBondContact O-N 2.78Å; R97-A149 HydrophobicContact CG-CB 3.76Å; L147-A149 PolarHBondContact O-N 2.88Å; A149-V155 WeakPolarHBondContact O-CG1 3.38Å
150H90.7Very high92.7Very high17 Ų1738.3 Ų38.38%0.07920%0.204CC..SBendtrans-133151.2-177.7-48.5-57.2000110.8L57 L94 Q100 I297L57-H150 HydrophobicContact CB-CB 3.84Å; L94-H150 PolarHBondContact O-NE2 3.42Å; Q100-H150 PolarHBondContact NE2-CE1 3.16Å; Q100-H150 PolarHBondContact NE2-NE2 2.99Å; Q100-H150 VanDerWaalsContact NE2-NE2 3.11Å; H150-I297 WeakPolarHBondContact NE2-CG1 3.39Å
151G85.3Confident92.7Very high37 Ų3737 Ų3738%0.38120%0.199SC..SBendtrans145.6-143.8174.900000112.5
152K80.8Confident92.8Very high176 Ų17636.5 Ų36.577%0.76520%0.196SC*.SBendtrans-71.7169.3-178.9-62.2-178.8-179.2177.60111.5S154 V155K152-S154 PolarHBondContact O-N 2.91Å; K152-V155 WeakPolarHBondContact O-CB 3.11Å; K152-V155 PolarHBondContact O-N 3.48Å
153D82Confident92.7Very high102 Ų10237.2 Ų37.255%0.54520%0.2SC..G310 helixtrans-46.1-35.2-179.8-162.670.2000114.6V155 H156 H219D153-V155 PolarHBondContact O-N 2.89Å; D153-V155 VanDerWaalsContact O-N 3.11Å; D153-H156 PolarHBondContact O-N 3.3Å; D153-H219 PolarHBondContact O-NE2 3.27Å; D153-H219 IonicContact OD1-CD2 3.81Å; D153-H219 IonicContact OD1-CE1 3.78Å; D153-H219 IonicContact OD1-NE2 2.82Å; D153-H219 PolarHBondContact OD1-NE2 2.99Å; D153-H219 IonicContact OD2-CD2 3.47Å; D153-H219 IonicContact OD2-NE2 2.71Å
154S82.3Confident92.6Very high74 Ų7440 Ų4052%0.51721%0.214SC..G310 helixtrans-58.5-26.3177.257.90000114.8K152 H156 K157K152-S154 PolarHBondContact O-N 2.91Å; S154-H156 PolarHBondContact O-N 3.32Å; S154-K157 PolarHBondContact O-N 3.35Å
155V87.9Confident92.5Very high8 Ų843.6 Ų43.65%0.04824%0.239CC..G310 helixtrans-66.9-22.1177.9157.50000112.8R97 M148 A149 K152 D153R97-V155 PolarHBondContact NH1-O 3.4Å; M148-V155 HydrophobicContact CB-CG2 3.93Å; M148-V155 WeakPolarHBondContact O-CG1 3.11Å; A149-V155 WeakPolarHBondContact O-CG1 3.38Å; K152-V155 WeakPolarHBondContact O-CB 3.11Å; K152-V155 PolarHBondContact O-N 3.48Å; D153-V155 PolarHBondContact O-N 2.89Å; D153-V155 VanDerWaalsContact O-N 3.11Å
156H87.6Confident92.4Very high33 Ų3343 Ų4315%0.15324%0.237CC..G310 helixtrans-97.12.9-178.6-61.9-71.4000113.1D153 S154 H219 S220 H221D153-H156 PolarHBondContact O-N 3.3Å; S154-H156 PolarHBondContact O-N 3.32Å; H156-H219 WeakPolarHBondContact CB-CE1 3.4Å; H156-H219 WeakPolarHBondContact CB-NE2 3.26Å; H156-S220 PolarHBondContact O-N 3.4Å; H156-H221 AromaticContact CD2-CE1 3.74Å; H156-H221 AromaticContact CE1-CE1 3.79Å; H156-H221 AromaticContact CE1-NE2 3.85Å; H156-H221 AromaticContact CG-CE1 3.72Å; H156-H221 AromaticContact ND1-CE1 3.75Å; H156-H221 AromaticContact ND1-NE2 3.73Å; H156-H221 AromaticContact NE2-CE1 3.8Å
157K93.2Very high92.5Very high130 Ų13041.5 Ų41.557%0.56523%0.226SC*.EExtended strand (participates in β ladder)trans-72.4129.2168.3-66.3-176.7179.2-1770109.7S154S154-K157 PolarHBondContact O-N 3.35Å
158I95.5Very high92.5Very high16 Ų1644.7 Ų44.78%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-123.6143.6-179.8-58.4-177.9000108.3V143 C144 K145 F217 F218V143-I158 HydrophobicContact CG1-CG2 3.6Å; C144-I158 WeakPolarHBondContact O-CA 3.31Å; K145-I158 HydrophobicContact CG-CG1 4.26Å; K145-I158 HydrophobicContact CG-CG2 4.47Å; I158-F217 WeakPolarHBondContact O-CA 3.43Å; I158-F218 HydrophobicContact CB-CD1 4.48Å; I158-F218 HydrophobicContact CB-CE1 3.98Å; I158-F218 HydrophobicContact CB-CE2 4.06Å; I158-F218 HydrophobicContact CB-CZ 3.76Å; I158-F218 HydrophobicContact CD1-CE2 4.22Å; I158-F218 HydrophobicContact CD1-CZ 4.31Å; I158-F218 HydrophobicContact CG2-CE1 3.74Å; I158-F218 HydrophobicContact CG2-CE2 4.34Å; I158-F218 HydrophobicContact CG2-CZ 3.57Å; I158-F218 PolarHBondContact N-O 3.19Å; I158-F218 PolarHBondContact O-N 3.07Å; I158-F218 VanDerWaalsContact O-O 3.11Å
159A97.1Very high92.5Very high4 Ų446.7 Ų46.73%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-121.6141.9168.600000111.3C144 V161 L170 I216 F217C144-A159 HydrophobicContact CB-CB 4.18Å; C144-A159 PolarHBondContact N-O 2.7Å; C144-A159 PolarHBondContact O-N 3.47Å; A159-V161 HydrophobicContact CB-CG2 4.49Å; A159-L170 HydrophobicContact CB-CD2 3.85Å; A159-I216 CarbonylContact C-O 3.6Å; A159-I216 WeakPolarHBondContact CA-O 3.34Å; A159-F217 HydrophobicContact CB-CD1 3.6Å; A159-F217 HydrophobicContact CB-CE1 3.56Å; A159-F217 HydrophobicContact CB-CG 4.38Å; A159-F217 HydrophobicContact CB-CZ 4.31Å
160I97.7Very high92.7Very high0 Ų047.5 Ų47.50%026%0.255CS..EExtended strand (participates in β ladder)trans-103.8122.5164.7-56.7162.6000107P141 I142 F162 F179 I204 P215 I216 F218P141-I160 HydrophobicContact CB-CG2 3.97Å; I142-I160 WeakPolarHBondContact O-CA 3.47Å; I160-F162 HydrophobicContact CB-CE2 4.42Å; I160-F162 HydrophobicContact CB-CZ 4.2Å; I160-F162 HydrophobicContact CG2-CE1 3.9Å; I160-F162 HydrophobicContact CG2-CE2 4.1Å; I160-F162 HydrophobicContact CG2-CZ 3.6Å; I160-F162 WeakPolarHBondContact O-CE2 3.49Å; I160-F179 HydrophobicContact CD1-CE2 4.14Å; I160-F179 HydrophobicContact CG2-CD2 4.31Å; I160-I204 HydrophobicContact CD1-CD1 3.75Å; I160-I204 HydrophobicContact CG1-CD1 4.44Å; I160-P215 CarbonylContact O-C 3.5Å; I160-P215 WeakPolarHBondContact O-CA 3.39Å; I160-I216 HydrophobicContact CB-CB 4.44Å; I160-I216 PolarHBondContact N-O 2.96Å; I160-I216 PolarHBondContact O-N 3.02Å; I160-F218 HydrophobicContact CD1-CE1 3.95Å; I160-F218 HydrophobicContact CG1-CE1 3.98Å
161V98.3Very high92.9Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-114.8139-178.6177.70000109.2Y140 P141 I142 A159 N163 L167 L170 P215Y140-V161 HydrophobicContact CD1-CG1 4.39Å; Y140-V161 WeakPolarHBondContact CD1-O 3.47Å; Y140-V161 HydrophobicContact CE1-CG1 3.89Å; P141-V161 CarbonylContact C-O 3.56Å; P141-V161 WeakPolarHBondContact CA-O 3.26Å; P141-V161 WeakPolarHBondContact CB-O 3.3Å; I142-V161 HydrophobicContact CD1-CB 4.08Å; I142-V161 HydrophobicContact CD1-CG1 4.38Å; I142-V161 HydrophobicContact CG1-CB 3.69Å; I142-V161 HydrophobicContact CG1-CG1 4.37Å; I142-V161 PolarHBondContact N-O 2.97Å; I142-V161 PolarHBondContact O-N 3.47Å; A159-V161 HydrophobicContact CB-CG2 4.49Å; V161-N163 VanDerWaalsContact CG1-O 3.24Å; V161-N163 WeakPolarHBondContact CG1-O 3.49Å; V161-L167 HydrophobicContact CG1-CD2 4.19Å; V161-L170 HydrophobicContact CG2-CD1 4.23Å; V161-L170 HydrophobicContact CG2-CD2 3.99Å; V161-L170 HydrophobicContact CG2-CG 4.39Å; V161-P215 HydrophobicContact CG2-CB 4.09Å; V161-P215 HydrophobicContact CG2-CG 4.14Å
162F97.9Very high93.5Very high0 Ų054 Ų540%028%0.283CS..  trans-111.7-14.1-168.5-58.5-86.5000114.4Y140 P141 I160 H207 D208 S210 R213 T214 I216Y140-F162 WeakPolarHBondContact CB-O 3.48Å; Y140-F162 VanDerWaalsContact CG-C 3.5Å; P141-F162 HydrophobicContact CB-CD1 3.98Å; P141-F162 HydrophobicContact CB-CE1 4.27Å; I160-F162 HydrophobicContact CB-CE2 4.42Å; I160-F162 HydrophobicContact CB-CZ 4.2Å; I160-F162 HydrophobicContact CG2-CE1 3.9Å; I160-F162 HydrophobicContact CG2-CE2 4.1Å; I160-F162 HydrophobicContact CG2-CZ 3.6Å; I160-F162 WeakPolarHBondContact O-CE2 3.49Å; F162-H207 HydrophobicContact CE1-CB 3.88Å; F162-H207 AromaticContact CE1-CG 3.92Å; F162-H207 AromaticContact CE1-ND1 3.61Å; F162-H207 AromaticContact CZ-ND1 3.68Å; F162-D208 WeakPolarHBondContact CD1-O 3.13Å; F162-S210 WeakPolarHBondContact CB-O 3.32Å; F162-R213 HydrophobicContact CB-CB 4.2Å; F162-R213 HydrophobicContact CD2-CB 4.09Å; F162-R213 HydrophobicContact CD2-CG 3.71Å; F162-R213 HydrophobicContact CE2-CG 3.92Å; F162-R213 HydrophobicContact CG-CB 4.09Å; F162-R213 HydrophobicContact CG-CG 4.07Å; F162-R213 HydrophobicContact CZ-CG 4.42Å; F162-T214 WeakPolarHBondContact CD2-O 3.33Å; F162-T214 WeakPolarHBondContact CE2-O 3.35Å; F162-I216 HydrophobicContact CE2-CD1 4.07Å; F162-I216 HydrophobicContact CE2-CG1 3.94Å; F162-I216 HydrophobicContact CZ-CD1 3.7Å; F162-I216 HydrophobicContact CZ-CG1 4.11Å
163N96.4Very high94.2Very high16 Ų1648.9 Ų48.99%0.08627%0.268CS..SBendtrans-164.7171.4-173.953.965.4000110.3V161 S165 G166 S210 V211 R213V161-N163 VanDerWaalsContact CG1-O 3.24Å; V161-N163 WeakPolarHBondContact CG1-O 3.49Å; N163-S165 VanDerWaalsContact C-N 3.35Å; N163-S165 PolarHBondContact O-N 3.32Å; N163-S165 WeakPolarHBondContact OD1-CB 3.46Å; N163-S165 PolarHBondContact OD1-N 3.48Å; N163-G166 PolarHBondContact O-N 2.99Å; N163-G166 VanDerWaalsContact O-N 3.14Å; N163-G166 PolarHBondContact OD1-N 3.33Å; N163-S210 PolarHBondContact ND2-O 2.94Å; N163-V211 PolarHBondContact ND2-O 2.87Å; N163-V211 VanDerWaalsContact ND2-O 3.07Å; N163-R213 PolarHBondContact ND2-O 3.13Å
164D96.4Very high95Very high77 Ų7744.4 Ų44.441%0.41224%0.244SC..G310 helixtrans-64.3-34.6-177.1-65.8-23.4000113.7K128 P130 Y140 G166 L167K128-D164 WeakPolarHBondContact CE-O 3.44Å; P130-D164 WeakPolarHBondContact CB-OD1 3.38Å; P130-D164 HydrophobicContact CG-CB 4.18Å; Y140-D164 WeakPolarHBondContact CE2-OD1 3.45Å; Y140-D164 VanDerWaalsContact CZ-OD1 3.24Å; Y140-D164 WeakPolarHBondContact OH-CA 3.17Å; Y140-D164 PolarHBondContact OH-N 3.28Å; Y140-D164 PolarHBondContact OH-OD1 3.17Å; D164-G166 PolarHBondContact O-N 3.46Å; D164-L167 VanDerWaalsContact O-CB 3.26Å; D164-L167 WeakPolarHBondContact O-CB 3.21Å; D164-L167 PolarHBondContact O-N 3.47Å; D164-L167 VanDerWaalsContact O-N 3.13Å
165S95.6Very high95.8Very high79 Ų7940.9 Ų40.955%0.55222%0.219SC*.G310 helixtrans-62.2-33.6176-52.20000111.2N163 L167 D168N163-S165 VanDerWaalsContact C-N 3.35Å; N163-S165 PolarHBondContact O-N 3.32Å; N163-S165 WeakPolarHBondContact OD1-CB 3.46Å; N163-S165 PolarHBondContact OD1-N 3.48Å; S165-L167 PolarHBondContact O-N 2.9Å; S165-D168 WeakPolarHBondContact O-CB 3.26Å; S165-D168 PolarHBondContact O-N 3.32Å; S165-D168 VanDerWaalsContact O-N 3.15Å; S165-D168 VanDerWaalsContact O-OD2 3.13Å
166G96.8Very high96.3Very high1 Ų140.5 Ų40.51%0.0122%0.217CC..G310 helixtrans-63.4-20.5176.700000114.5N163 D164 D168 H169 P215N163-G166 PolarHBondContact O-N 2.99Å; N163-G166 VanDerWaalsContact O-N 3.14Å; N163-G166 PolarHBondContact OD1-N 3.33Å; D164-G166 PolarHBondContact O-N 3.46Å; G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 2.99Å; G166-H169 PolarHBondContact O-N 2.77Å; G166-P215 VanDerWaalsContact CA-CG 3.49Å; G166-P215 VanDerWaalsContact O-CG 3.26Å; G166-P215 WeakPolarHBondContact O-CG 3.48Å
167L97.3Very high96.8Very high0 Ų039.1 Ų39.10%021%0.21CC..G310 helixtrans-66.8-26.4176-62.6177.4000112.4L125 K128 P130 L133 Y140 I142 V161 D164 S165 H169 L170 Y172L125-L167 HydrophobicContact CD1-CD2 4.28Å; K128-L167 HydrophobicContact CD-CB 4.31Å; K128-L167 HydrophobicContact CG-CB 3.98Å; K128-L167 HydrophobicContact CG-CD1 4.37Å; P130-L167 HydrophobicContact CB-CD1 4.37Å; P130-L167 HydrophobicContact CG-CD1 3.88Å; L133-L167 HydrophobicContact CD1-CD1 4.38Å; Y140-L167 WeakPolarHBondContact OH-CD1 3.27Å; I142-L167 HydrophobicContact CD1-CD2 3.85Å; V161-L167 HydrophobicContact CG1-CD2 4.19Å; D164-L167 VanDerWaalsContact O-CB 3.26Å; D164-L167 WeakPolarHBondContact O-CB 3.21Å; D164-L167 PolarHBondContact O-N 3.47Å; D164-L167 VanDerWaalsContact O-N 3.13Å; S165-L167 PolarHBondContact O-N 2.9Å; L167-H169 PolarHBondContact O-N 2.97Å; L167-L170 HydrophobicContact CD2-CD1 3.79Å; L167-L170 PolarHBondContact O-N 3.45Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L167-Y172 WeakPolarHBondContact CB-OH 3.44Å; L167-Y172 PolarHBondContact O-OH 3.04Å
168D96.3Very high97Very high98 Ų9834.3 Ų34.352%0.52419%0.19SC..G310 helixtrans-60.6-19.9178.6-68.6-50.9000113.3K128 S165 G166K128-D168 WeakPolarHBondContact CD-OD1 3.31Å; K128-D168 WeakPolarHBondContact CE-OD1 3.41Å; K128-D168 IonicContact NZ-OD1 3.09Å; K128-D168 PolarHBondContact NZ-OD1 3.35Å; K128-D168 IonicContact NZ-OD2 3.73Å; K128-D168 PolarHBondContact NZ-OD2 3.09Å; S165-D168 WeakPolarHBondContact O-CB 3.26Å; S165-D168 PolarHBondContact O-N 3.32Å; S165-D168 VanDerWaalsContact O-N 3.15Å; S165-D168 VanDerWaalsContact O-OD2 3.13Å; G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 2.99Å
169H95.9Very high97.1Very high111 Ų11134.1 Ų34.151%0.51419%0.189SC..G310 helixtrans-93.61.5-177.6-55.2-70000113.6G166 L167 P215 F217G166-H169 PolarHBondContact O-N 2.77Å; L167-H169 PolarHBondContact O-N 2.97Å; H169-P215 HydrophobicContact CB-CG 4.3Å; H169-F217 HydrophobicContact CB-CE2 4.16Å; H169-F217 HydrophobicContact CB-CZ 3.78Å; H169-F217 WeakPolarHBondContact O-CZ 3.49Å
170L96.3Very high97.1Very high18 Ų1834.5 Ų34.59%0.09419%0.19CC..PPolyproline II helixtrans-90.2148.6-177.6-58.8-179.1000111.8C144 A159 V161 L167 Y172 V174 F217C144-L170 HydrophobicContact CB-CD1 4.16Å; C144-L170 HydrophobicContact CB-CD2 4.12Å; A159-L170 HydrophobicContact CB-CD2 3.85Å; V161-L170 HydrophobicContact CG2-CD1 4.23Å; V161-L170 HydrophobicContact CG2-CD2 3.99Å; V161-L170 HydrophobicContact CG2-CG 4.39Å; L167-L170 HydrophobicContact CD2-CD1 3.79Å; L167-L170 PolarHBondContact O-N 3.45Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L170-Y172 HydrophobicContact CB-CE1 4.46Å; L170-Y172 HydrophobicContact CB-CE2 4.32Å; L170-V174 HydrophobicContact CD1-CG1 4.06Å; L170-F217 HydrophobicContact CD2-CE1 4.17Å; L170-F217 HydrophobicContact CD2-CZ 4.41Å
171T94.9Very high96.9Very high129 Ų12937.2 Ų37.279%0.79120%0.202SC*.PPolyproline II helixtrans-91.2126.4165.4-57.10000109
172Y96.9Very high96.6Very high61 Ų6137.7 Ų37.724%0.23920%0.204CC..SBendtrans-99.3153.4-178.9-62.9-79.9000112.1L125 S126 Q127 K128 L167 L170 V174L125-Y172 HydrophobicContact CB-CD1 4.2Å; L125-Y172 HydrophobicContact CB-CE1 3.97Å; L125-Y172 HydrophobicContact CD1-CE1 4.49Å; S126-Y172 WeakPolarHBondContact O-CB 3.48Å; Q127-Y172 VanDerWaalsContact O-CE1 3.26Å; Q127-Y172 WeakPolarHBondContact O-CE1 3.34Å; K128-Y172 VanDerWaalsContact CA-OH 3.27Å; K128-Y172 WeakPolarHBondContact CA-OH 3.43Å; K128-Y172 HydrophobicContact CB-CE2 4.29Å; K128-Y172 WeakPolarHBondContact CB-OH 3.34Å; K128-Y172 VanDerWaalsContact N-CZ 3.34Å; L167-Y172 WeakPolarHBondContact CB-OH 3.44Å; L167-Y172 PolarHBondContact O-OH 3.04Å; L170-Y172 HydrophobicContact CB-CE1 4.46Å; L170-Y172 HydrophobicContact CB-CE2 4.32Å; Y172-V174 HydrophobicContact CD1-CB 4.43Å; Y172-V174 HydrophobicContact CD1-CG1 3.69Å; Y172-V174 HydrophobicContact CE1-CG1 3.69Å
173P96.9Very high96Very high70 Ų7041.9 Ų41.946%0.45523%0.226SC..SBendcis-72148-3.832.3-36.3000112.2L124 L125 L147L124-P173 HydrophobicContact CD1-CB 4.15Å; L125-P173 CarbonylContact O-C 3.49Å; L125-P173 VanDerWaalsContact O-CA 3.26Å; L125-P173 WeakPolarHBondContact O-CA 3.48Å; L147-P173 HydrophobicContact CD2-CG 4.31Å
174V98.1Very high95.6Very high8 Ų841.1 Ų41.15%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-130.2133.4-17768.50000111L124 L125 C144 K145 L170 Y172 V176L124-V174 WeakPolarHBondContact CD1-O 3.3Å; L125-V174 HydrophobicContact CB-CG1 3.91Å; L125-V174 PolarHBondContact N-O 3.39Å; L125-V174 PolarHBondContact O-N 2.93Å; C144-V174 HydrophobicContact CB-CG2 3.76Å; K145-V174 VanDerWaalsContact O-CG2 3.31Å; K145-V174 WeakPolarHBondContact O-CG2 3.1Å; L170-V174 HydrophobicContact CD1-CG1 4.06Å; Y172-V174 HydrophobicContact CD1-CB 4.43Å; Y172-V174 HydrophobicContact CD1-CG1 3.69Å; Y172-V174 HydrophobicContact CE1-CG1 3.69Å; V174-V176 HydrophobicContact CG1-CG2 4.04Å
175F98.6Very high95.3Very high0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-84.5125.6174.2175.2-99.7000108.9R97 F101 F122 C144 K145 Q177R97-F175 HydrophobicContact CB-CB 4.4Å; R97-F175 HydrophobicContact CB-CD1 3.82Å; R97-F175 HydrophobicContact CB-CD2 4.05Å; R97-F175 HydrophobicContact CB-CE1 3.96Å; R97-F175 HydrophobicContact CB-CE2 4.22Å; R97-F175 HydrophobicContact CB-CG 3.83Å; R97-F175 HydrophobicContact CB-CZ 4.17Å; R97-F175 HydrophobicContact CG-CD1 4.45Å; F101-F175 HydrophobicContact CB-CE2 4.36Å; F101-F175 HydrophobicContact CB-CZ 3.93Å; F101-F175 HydrophobicContact CD1-CZ 4.44Å; F101-F175 AromaticContact CD2-CE1 3.94Å; F101-F175 HydrophobicContact CD2-CE1 3.94Å; F101-F175 HydrophobicContact CD2-CE2 4.48Å; F101-F175 AromaticContact CD2-CZ 3.56Å; F101-F175 HydrophobicContact CD2-CZ 3.56Å; F101-F175 HydrophobicContact CE2-CE1 4.18Å; F101-F175 HydrophobicContact CE2-CZ 4.25Å; F101-F175 HydrophobicContact CG-CE1 4.4Å; F101-F175 AromaticContact CG-CZ 3.68Å; F101-F175 HydrophobicContact CG-CZ 3.68Å; F122-F175 HydrophobicContact CB-CE2 3.9Å; F122-F175 HydrophobicContact CB-CZ 3.74Å; F122-F175 AromaticContact CD2-CE2 3.64Å; F122-F175 HydrophobicContact CD2-CE2 3.64Å; F122-F175 HydrophobicContact CD2-CZ 4.12Å; F122-F175 HydrophobicContact CE2-CE2 4.48Å; F122-F175 AromaticContact CG-CE2 3.98Å; F122-F175 HydrophobicContact CG-CE2 3.98Å; F122-F175 AromaticContact CG-CZ 3.99Å; F122-F175 HydrophobicContact CG-CZ 3.99Å; C144-F175 CarbonylContact C-O 3.53Å; C144-F175 WeakPolarHBondContact CA-O 3.38Å; K145-F175 HydrophobicContact CB-CD1 4.38Å; K145-F175 PolarHBondContact N-O 3.12Å; K145-F175 PolarHBondContact O-N 3.19Å; F175-Q177 HydrophobicContact CD1-CG 4.45Å; F175-Q177 HydrophobicContact CE1-CG 3.59Å; F175-Q177 HydrophobicContact CZ-CG 3.9Å; F175-Q177 VanDerWaalsContact CZ-NE2 3.31Å
176V98.8Very high95.2Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-116137.6-174.1-179.40000109.8F122 C123 L125 L133 I142 V143 V174F122-V176 CarbonylContact C-O 3.45Å; F122-V176 WeakPolarHBondContact CA-O 3.25Å; F122-V176 VanDerWaalsContact CB-O 3.3Å; F122-V176 WeakPolarHBondContact CB-O 3.45Å; C123-V176 PolarHBondContact N-O 2.85Å; C123-V176 PolarHBondContact O-N 2.93Å; L125-V176 HydrophobicContact CD1-CG2 3.79Å; L125-V176 HydrophobicContact CG-CG2 3.84Å; L133-V176 HydrophobicContact CD2-CB 4.33Å; L133-V176 HydrophobicContact CD2-CG1 3.73Å; I142-V176 HydrophobicContact CB-CG1 3.76Å; I142-V176 HydrophobicContact CD1-CG1 3.64Å; I142-V176 HydrophobicContact CG1-CG1 4.12Å; I142-V176 HydrophobicContact CG2-CG1 4.15Å; V143-V176 CarbonylContact O-C 3.58Å; V143-V176 WeakPolarHBondContact O-CA 3.06Å; V174-V176 HydrophobicContact CG1-CG2 4.04Å
177Q98.3Very high95Very high3 Ų336.6 Ų36.61%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-128.2150173.8-85.4-1800.300111.4K121 F122 I142 V143 F175 F179K121-Q177 CarbonylContact O-C 3.58Å; K121-Q177 WeakPolarHBondContact O-CA 3.33Å; F122-Q177 HydrophobicContact CB-CG 3.69Å; I142-Q177 CarbonylContact C-O 3.56Å; I142-Q177 WeakPolarHBondContact CA-O 3.25Å; V143-Q177 HydrophobicContact CB-CB 4.46Å; V143-Q177 PolarHBondContact N-O 3.42Å; V143-Q177 PolarHBondContact O-N 2.79Å; F175-Q177 HydrophobicContact CD1-CG 4.45Å; F175-Q177 HydrophobicContact CE1-CG 3.59Å; F175-Q177 HydrophobicContact CZ-CG 3.9Å; F175-Q177 VanDerWaalsContact CZ-NE2 3.31Å; Q177-F179 PolarHBondContact O-N 2.82Å
178Q97.9Very high94.7Very high30 Ų3037.3 Ų37.314%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-57126.7164.9-178.762.16400109.7P120 K121 I138 S139 P141 I180P120-Q178 HydrophobicContact CB-CB 4.36Å; K121-Q178 HydrophobicContact CB-CB 4.43Å; K121-Q178 PolarHBondContact O-N 3.32Å; I138-Q178 HydrophobicContact CG2-CB 4.46Å; S139-Q178 PolarHBondContact O-NE2 2.95Å; S139-Q178 PolarHBondContact O-OE1 2.9Å; P141-Q178 PolarHBondContact O-NE2 2.89Å; Q178-I180 HydrophobicContact CB-CD1 4.32Å; Q178-I180 HydrophobicContact CG-CD1 3.68Å; Q178-I180 PolarHBondContact O-N 3.28Å
179F97Very high94.7Very high11 Ų1132.7 Ų32.75%0.04817%0.167CC..  trans-70.8126.3167.3-176.4-83.4000109P141 V143 I160 Q177 K181 I204 H207P141-F179 HydrophobicContact CB-CB 4.13Å; P141-F179 HydrophobicContact CB-CG 4.41Å; P141-F179 HydrophobicContact CG-CB 3.88Å; P141-F179 HydrophobicContact CG-CD1 3.9Å; P141-F179 HydrophobicContact CG-CG 3.93Å; P141-F179 WeakPolarHBondContact O-CB 3.41Å; P141-F179 PolarHBondContact O-N 2.92Å; V143-F179 HydrophobicContact CG2-CB 4.03Å; V143-F179 HydrophobicContact CG2-CD2 3.58Å; V143-F179 HydrophobicContact CG2-CG 4.25Å; I160-F179 HydrophobicContact CD1-CE2 4.14Å; I160-F179 HydrophobicContact CG2-CD2 4.31Å; Q177-F179 PolarHBondContact O-N 2.82Å; F179-K181 HydrophobicContact CD1-CG 4.44Å; F179-K181 HydrophobicContact CE1-CG 4.05Å; F179-I204 HydrophobicContact CD2-CD1 4.48Å; F179-I204 HydrophobicContact CE2-CD1 3.61Å; F179-I204 HydrophobicContact CE2-CG1 4.28Å; F179-I204 HydrophobicContact CZ-CD1 4.38Å; F179-H207 HydrophobicContact CE1-CB 4.06Å; F179-H207 HydrophobicContact CE2-CB 4.37Å; F179-H207 HydrophobicContact CZ-CB 3.96Å
180I96Very high94.6Very high13 Ų1328.1 Ų28.17%0.06715%0.146CC..  trans-108.6126.6176.1-53.6-60.8000108.1F118 P120 Q178 H182 I273 A275 A291F118-I180 HydrophobicContact CE2-CD1 4.28Å; F118-I180 HydrophobicContact CE2-CG1 4.47Å; F118-I180 HydrophobicContact CZ-CD1 4.43Å; F118-I180 HydrophobicContact CZ-CG1 4.43Å; F118-I180 HydrophobicContact CZ-CG2 4.4Å; P120-I180 HydrophobicContact CB-CD1 4.41Å; P120-I180 HydrophobicContact CB-CG1 4.09Å; P120-I180 HydrophobicContact CG-CG1 3.91Å; Q178-I180 HydrophobicContact CB-CD1 4.32Å; Q178-I180 HydrophobicContact CG-CD1 3.68Å; Q178-I180 PolarHBondContact O-N 3.28Å; I180-H182 PolarHBondContact O-ND1 2.95Å; I180-I273 HydrophobicContact CB-CD1 3.81Å; I180-I273 HydrophobicContact CG2-CD1 4.26Å; I180-A275 HydrophobicContact CG2-CB 3.56Å; I180-A291 HydrophobicContact CG1-CB 4.42Å
181K94.3Very high94.6Very high56 Ų5627.3 Ų27.324%0.24314%0.142CC..  trans-71.4135.6174.5-61.8179-179.7-175.20109.3F179 N206 H207 D208 T276 S279F179-K181 HydrophobicContact CD1-CG 4.44Å; F179-K181 HydrophobicContact CE1-CG 4.05Å; K181-N206 VanDerWaalsContact CA-OD1 3.23Å; K181-N206 WeakPolarHBondContact CA-OD1 3.46Å; K181-N206 HydrophobicContact CB-CB 4.27Å; K181-N206 VanDerWaalsContact CB-OD1 3.25Å; K181-N206 WeakPolarHBondContact CB-OD1 3.29Å; K181-N206 HydrophobicContact CD-CB 4.27Å; K181-N206 HydrophobicContact CG-CB 4.1Å; K181-H207 VanDerWaalsContact CE-O 3.31Å; K181-H207 WeakPolarHBondContact CE-O 3.46Å; K181-D208 WeakPolarHBondContact CE-OD1 3.29Å; K181-D208 VanDerWaalsContact NZ-CG 3.27Å; K181-D208 IonicContact NZ-OD1 3.07Å; K181-D208 PolarHBondContact NZ-OD1 3.48Å; K181-D208 IonicContact NZ-OD2 3.3Å; K181-D208 PolarHBondContact NZ-OD2 3.16Å; K181-T276 HydrophobicContact CB-CG2 4.39Å; K181-T276 PolarHBondContact O-N 2.82Å; K181-T276 PolarHBondContact O-OG1 2.82Å; K181-S279 WeakPolarHBondContact CB-OG 3.36Å; K181-S279 PolarHBondContact N-OG 2.87Å
182H91.4Very high94.6Very high11 Ų1124 Ų245%0.05112%0.122CC..  trans-151.712.7-168.460.6-85.4000114.6I180 G184 K185 S203 I204 N206 I273 C274I180-H182 PolarHBondContact O-ND1 2.95Å; H182-G184 VanDerWaalsContact C-N 3.31Å; H182-G184 PolarHBondContact O-N 3.25Å; H182-K185 PolarHBondContact CD2-O 2.78Å; H182-K185 VanDerWaalsContact CD2-O 3.24Å; H182-S203 WeakPolarHBondContact NE2-CB 3.26Å; H182-S203 PolarHBondContact NE2-OG 3.4Å; H182-I204 PolarHBondContact NE2-O 3.35Å; H182-N206 PolarHBondContact N-OD1 2.66Å; H182-I273 HydrophobicContact CB-CB 3.64Å; H182-I273 HydrophobicContact CB-CD1 4Å; H182-I273 HydrophobicContact CB-CG1 4.19Å; H182-I273 HydrophobicContact CB-CG2 4.28Å; H182-C274 WeakPolarHBondContact CA-O 3.35Å; H182-C274 VanDerWaalsContact CB-O 3.22Å; H182-C274 WeakPolarHBondContact CB-O 3.06Å
183N87Confident94.4Very high87 Ų8722 Ų2247%0.46512%0.12SC..THydrogen-bonded Turntrans58.737.9173.2-54.1-23.2000114K185 N206 T276N183-K185 PolarHBondContact O-N 3.28Å; N183-N206 PolarHBondContact N-OD1 2.93Å; N183-N206 VanDerWaalsContact N-OD1 3.11Å; N183-N206 PolarHBondContact OD1-ND2 3.4Å; N183-T276 VanDerWaalsContact OD1-CG2 3.28Å; N183-T276 WeakPolarHBondContact OD1-CG2 3.45Å
184G87.9Confident94.3Very high0 Ų024.6 Ų24.60%013%0.129CC..THydrogen-bonded Turntrans70.526.7164.700000116.1H182 S203 I204 S237H182-G184 VanDerWaalsContact C-N 3.31Å; H182-G184 PolarHBondContact O-N 3.25Å; G184-S203 VanDerWaalsContact C-CB 3.45Å; G184-S203 WeakPolarHBondContact CA-O 3.26Å; G184-S203 PolarHBondContact O-N 2.97Å; G184-I204 WeakPolarHBondContact CA-O 3.36Å; G184-S237 WeakPolarHBondContact O-CB 3.3Å; G184-S237 PolarHBondContact O-OG 2.56Å
185K89.9Confident94Very high58 Ų5831.2 Ų31.225%0.25216%0.16SC..EExtended strand (participates in β ladder)trans-132137.9176.2-70.9166.5165-130.50112.4H182 N183 E200H182-K185 PolarHBondContact CD2-O 2.78Å; H182-K185 VanDerWaalsContact CD2-O 3.24Å; N183-K185 PolarHBondContact O-N 3.28Å; K185-E200 HydrophobicContact CB-CG 4.19Å; K185-E200 WeakPolarHBondContact CD-OE1 3.36Å; K185-E200 WeakPolarHBondContact CD-OE2 3.12Å; K185-E200 WeakPolarHBondContact CE-OE1 3.42Å; K185-E200 HydrophobicContact CG-CG 4.31Å; K185-E200 VanDerWaalsContact NZ-CD 3.28Å; K185-E200 IonicContact NZ-OE1 2.61Å; K185-E200 PolarHBondContact NZ-OE1 2.97Å; K185-E200 IonicContact NZ-OE2 3.76Å; K185-E200 PolarHBondContact NZ-OE2 3.21Å; K185-E200 VanDerWaalsContact NZ-OE2 3.09Å
186V92Very high93.8Very high1 Ų132.9 Ų32.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-118.6134172.4165.40000108.9K188 E200 V201 S203 D271 L272 I273 I293V186-K188 HydrophobicContact CG1-CG 4.34Å; V186-E200 WeakPolarHBondContact O-CA 3.23Å; V186-V201 HydrophobicContact CB-CG2 3.97Å; V186-V201 HydrophobicContact CG1-CG2 4.19Å; V186-V201 PolarHBondContact N-O 3.01Å; V186-V201 PolarHBondContact O-N 3.31Å; V186-S203 WeakPolarHBondContact CG2-OG 3.23Å; V186-D271 HydrophobicContact CG1-CB 4.06Å; V186-L272 CarbonylContact C-O 3.54Å; V186-L272 WeakPolarHBondContact CA-O 3.04Å; V186-I273 HydrophobicContact CB-CG2 4.39Å; V186-I273 HydrophobicContact CG2-CG2 3.5Å; V186-I293 HydrophobicContact CG2-CD1 3.98Å
187L92.6Very high93.4Very high4 Ų436.4 Ų36.42%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-93125.3170.4-48.8-178.7000108.8I198 T199 E200 Y247 F252 D271 L272 Y290L187-I198 HydrophobicContact CB-CD1 3.94Å; L187-I198 HydrophobicContact CB-CG1 4.12Å; L187-I198 HydrophobicContact CD1-CD1 4.02Å; L187-I198 HydrophobicContact CG-CD1 4.48Å; L187-T199 CarbonylContact C-O 3.54Å; L187-T199 WeakPolarHBondContact CA-O 3.01Å; L187-E200 HydrophobicContact CD2-CB 4.2Å; L187-E200 HydrophobicContact CD2-CG 4.05Å; L187-Y247 HydrophobicContact CD1-CD1 3.78Å; L187-Y247 HydrophobicContact CD1-CE1 3.53Å; L187-Y247 HydrophobicContact CD2-CD1 4.43Å; L187-Y247 HydrophobicContact CD2-CE1 3.58Å; L187-Y247 HydrophobicContact CD2-CE2 3.85Å; L187-Y247 WeakPolarHBondContact CD2-OH 3.48Å; L187-Y247 HydrophobicContact CG-CE1 4.21Å; L187-F252 HydrophobicContact CD1-CE1 4.48Å; L187-F252 HydrophobicContact CD1-CZ 3.97Å; L187-D271 CarbonylContact O-C 3.58Å; L187-D271 WeakPolarHBondContact O-CA 3.37Å; L187-L272 HydrophobicContact CB-CB 4.29Å; L187-L272 PolarHBondContact N-O 2.87Å; L187-L272 PolarHBondContact O-N 3.07Å; L187-Y290 HydrophobicContact CD1-CD1 3.84Å; L187-Y290 HydrophobicContact CD1-CE1 3.63Å
188K92.8Very high93.1Very high14 Ų1438.1 Ų38.16%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-102.4106174.9-71.3173.2162.6-840108.2V186 F190 I198 T199 V201 S224 D271 E301V186-K188 HydrophobicContact CG1-CG 4.34Å; K188-F190 HydrophobicContact CB-CD2 4.42Å; K188-F190 HydrophobicContact CB-CE1 4.42Å; K188-F190 HydrophobicContact CB-CE2 3.63Å; K188-F190 HydrophobicContact CB-CZ 3.64Å; K188-F190 HydrophobicContact CD-CZ 3.98Å; K188-F190 HydrophobicContact CG-CZ 4.33Å; K188-I198 WeakPolarHBondContact O-CA 3.33Å; K188-T199 PolarHBondContact N-O 2.92Å; K188-T199 PolarHBondContact O-N 3.08Å; K188-V201 HydrophobicContact CD-CG1 3.83Å; K188-V201 HydrophobicContact CD-CG2 3.82Å; K188-V201 HydrophobicContact CG-CG2 4.17Å; K188-S224 WeakPolarHBondContact CE-O 3.44Å; K188-D271 IonicContact NZ-OD1 3.52Å; K188-E301 WeakPolarHBondContact CE-OE2 3.34Å; K188-E301 IonicContact NZ-OE1 2.73Å; K188-E301 IonicContact NZ-OE2 2.7Å; K188-E301 PolarHBondContact NZ-OE2 3.3Å
189L95.1Very high92.7Very high1 Ų139.4 Ų39.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-88.1116170.5174.162.6000108.4V191 C197 F252 L255 A256 G269 I270 L272L189-V191 HydrophobicContact CG-CG2 4.15Å; L189-C197 CarbonylContact C-O 3.56Å; L189-C197 WeakPolarHBondContact CA-O 3.33Å; L189-F252 HydrophobicContact CD1-CB 4.16Å; L189-F252 HydrophobicContact CD2-CB 4.37Å; L189-L255 HydrophobicContact CD2-CB 4.49Å; L189-L255 HydrophobicContact CD2-CD2 3.85Å; L189-L255 HydrophobicContact CD2-CG 4.24Å; L189-A256 HydrophobicContact CD2-CB 4.38Å; L189-G269 CarbonylContact O-C 3.58Å; L189-G269 WeakPolarHBondContact O-CA 3.19Å; L189-I270 HydrophobicContact CB-CB 4.32Å; L189-I270 HydrophobicContact CD2-CD1 4.43Å; L189-I270 PolarHBondContact N-O 2.9Å; L189-I270 PolarHBondContact O-N 2.94Å; L189-L272 HydrophobicContact CB-CD1 3.92Å
190F94.4Very high92.3Very high16 Ų1642.3 Ų42.37%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-101.2137.2174-58.4-75.3000110.1K188 S196 C197 T199 P299 E301K188-F190 HydrophobicContact CB-CD2 4.42Å; K188-F190 HydrophobicContact CB-CE1 4.42Å; K188-F190 HydrophobicContact CB-CE2 3.63Å; K188-F190 HydrophobicContact CB-CZ 3.64Å; K188-F190 HydrophobicContact CD-CZ 3.98Å; K188-F190 HydrophobicContact CG-CZ 4.33Å; F190-S196 CarbonylContact O-C 3.54Å; F190-S196 WeakPolarHBondContact O-CA 3.4Å; F190-S196 WeakPolarHBondContact O-CB 3.49Å; F190-C197 PolarHBondContact N-O 3.4Å; F190-C197 PolarHBondContact O-N 2.83Å; F190-T199 HydrophobicContact CE2-CG2 4.23Å; F190-P299 HydrophobicContact CD1-CB 3.81Å; F190-P299 HydrophobicContact CD1-CG 3.72Å; F190-P299 HydrophobicContact CE1-CB 3.83Å; F190-P299 HydrophobicContact CE1-CG 4.28Å; F190-E301 HydrophobicContact CE1-CB 3.76Å; F190-E301 HydrophobicContact CE2-CB 4.42Å; F190-E301 HydrophobicContact CZ-CB 3.53Å; F190-E301 WeakPolarHBondContact CZ-OE2 3.28Å
191V95.9Very high92Very high1 Ų142 Ų421%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-128.1129.9-178.2-174.80000110L189 H195 A256 F268L189-V191 HydrophobicContact CG-CG2 4.15Å; V191-H195 WeakPolarHBondContact CA-O 3.37Å; V191-A256 HydrophobicContact CG1-CB 4.2Å; V191-A256 HydrophobicContact CG2-CB 3.54Å; V191-F268 HydrophobicContact CB-CD1 4.07Å; V191-F268 HydrophobicContact CB-CD2 4.28Å; V191-F268 HydrophobicContact CB-CE1 3.74Å; V191-F268 HydrophobicContact CB-CE2 3.94Å; V191-F268 HydrophobicContact CB-CG 4.35Å; V191-F268 HydrophobicContact CB-CZ 3.67Å; V191-F268 HydrophobicContact CG1-CD1 4.29Å; V191-F268 HydrophobicContact CG1-CE1 3.58Å; V191-F268 HydrophobicContact CG1-CE2 4.44Å; V191-F268 HydrophobicContact CG1-CZ 3.68Å; V191-F268 HydrophobicContact CG2-CD2 4.2Å; V191-F268 HydrophobicContact CG2-CE1 4.24Å; V191-F268 HydrophobicContact CG2-CE2 3.6Å; V191-F268 HydrophobicContact CG2-CZ 3.64Å; V191-F268 PolarHBondContact N-O 3.06Å; V191-F268 PolarHBondContact O-N 2.72Å
192V94.1Very high91.7Very high60 Ų6040.1 Ų40.136%0.36422%0.22SC..EExtended strand (participates in β ladder)trans-133.499.3174179.50000108.7D194 H195 D266 L267 I302V192-D194 PolarHBondContact O-N 2.88Å; V192-H195 PolarHBondContact N-O 2.79Å; V192-H195 PolarHBondContact O-N 2.94Å; V192-D266 CarbonylContact C-O 3.53Å; V192-D266 VanDerWaalsContact CA-O 3.29Å; V192-D266 WeakPolarHBondContact CA-O 3.22Å; V192-L267 HydrophobicContact CB-CD2 4.08Å; V192-L267 HydrophobicContact CG1-CD2 3.73Å; V192-L267 HydrophobicContact CG2-CD2 3.83Å; V192-I302 HydrophobicContact CG2-CD1 3.64Å; V192-I302 HydrophobicContact CG2-CG2 4.45Å
193G93.7Very high91.7Very high19 Ų1939.7 Ų39.720%0.19622%0.218CC..THydrogen-bonded Turntrans59.9-119.7-17500000111.1R260 D266G193-R260 WeakPolarHBondContact O-CD 3.47Å; G193-R260 PolarHBondContact O-NE 2.97Å; G193-D266 PolarHBondContact N-O 3.37Å
194D93.7Very high91.8Very high123 Ų12336.2 Ų36.266%0.65820%0.2SC*.THydrogen-bonded Turntrans-89.70.2178.4-61.3-48.8000113.5V192 R260V192-D194 PolarHBondContact O-N 2.88Å; D194-R260 IonicContact OD1-CZ 3.73Å; D194-R260 IonicContact OD1-NH1 2.86Å; D194-R260 PolarHBondContact OD1-NH1 3.48Å; D194-R260 IonicContact OD1-NH2 3.21Å
195H93.4Very high91.9Very high148 Ų14840 Ų4069%0.68522%0.216SC*.EExtended strand (participates in β ladder)trans-100.4140.7178.9-59.4-75.5000110.8V191 V192V191-H195 WeakPolarHBondContact CA-O 3.37Å; V192-H195 PolarHBondContact N-O 2.79Å; V192-H195 PolarHBondContact O-N 2.94Å
196S93.1Very high91.9Very high35 Ų3539.2 Ų39.225%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-137.2154.9171.187.70000112.1F190 N253F190-S196 CarbonylContact O-C 3.54Å; F190-S196 WeakPolarHBondContact O-CA 3.4Å; F190-S196 WeakPolarHBondContact O-CB 3.49Å; S196-N253 PolarHBondContact OG-OD1 3.16Å
197C91.6Very high91.9Very high74 Ų7439.3 Ų39.350%0.522%0.215SC..EExtended strand (participates in β ladder)trans-141.9145.4176.7-1770000109.3L189 F190L189-C197 CarbonylContact C-O 3.56Å; L189-C197 WeakPolarHBondContact CA-O 3.33Å; F190-C197 PolarHBondContact N-O 3.4Å; F190-C197 PolarHBondContact O-N 2.83Å
198I91.3Very high91.8Very high38 Ų3843.9 Ų43.920%0.19524%0.239CC..EExtended strand (participates in β ladder)trans-118.4134.1178-164.2166.5000110.5L187 K188 Y247 F252L187-I198 HydrophobicContact CB-CD1 3.94Å; L187-I198 HydrophobicContact CB-CG1 4.12Å; L187-I198 HydrophobicContact CD1-CD1 4.02Å; L187-I198 HydrophobicContact CG-CD1 4.48Å; K188-I198 WeakPolarHBondContact O-CA 3.33Å; I198-Y247 HydrophobicContact CD1-CD2 4.42Å; I198-Y247 HydrophobicContact CD1-CG 4.27Å; I198-Y247 HydrophobicContact CG2-CD2 4.13Å; I198-F252 HydrophobicContact CD1-CD1 3.84Å; I198-F252 HydrophobicContact CD1-CD2 3.6Å; I198-F252 HydrophobicContact CD1-CE1 3.84Å; I198-F252 HydrophobicContact CD1-CE2 3.67Å; I198-F252 HydrophobicContact CD1-CG 3.72Å; I198-F252 HydrophobicContact CD1-CZ 3.76Å
199T90Very high91.6Very high58 Ų5849.9 Ų49.936%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-127.8155172.5700000110.1L187 K188 F190L187-T199 CarbonylContact C-O 3.54Å; L187-T199 WeakPolarHBondContact CA-O 3.01Å; K188-T199 PolarHBondContact N-O 2.92Å; K188-T199 PolarHBondContact O-N 3.08Å; F190-T199 HydrophobicContact CE2-CG2 4.23Å
200E88.6Confident91.5Very high71 Ų7151.8 Ų51.833%0.33228%0.279SS..EExtended strand (participates in β ladder)trans-102.9139.9173.2-168.9-174.295.100109.8K185 V186 L187 Y247K185-E200 HydrophobicContact CB-CG 4.19Å; K185-E200 WeakPolarHBondContact CD-OE1 3.36Å; K185-E200 WeakPolarHBondContact CD-OE2 3.12Å; K185-E200 WeakPolarHBondContact CE-OE1 3.42Å; K185-E200 HydrophobicContact CG-CG 4.31Å; K185-E200 VanDerWaalsContact NZ-CD 3.28Å; K185-E200 IonicContact NZ-OE1 2.61Å; K185-E200 PolarHBondContact NZ-OE1 2.97Å; K185-E200 IonicContact NZ-OE2 3.76Å; K185-E200 PolarHBondContact NZ-OE2 3.21Å; K185-E200 VanDerWaalsContact NZ-OE2 3.09Å; V186-E200 WeakPolarHBondContact O-CA 3.23Å; L187-E200 HydrophobicContact CD2-CB 4.2Å; L187-E200 HydrophobicContact CD2-CG 4.05Å; E200-Y247 PolarHBondContact OE2-OH 3.09Å
201V88.7Confident91.2Very high7 Ų756 Ų564%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-132.6158.1170.4-63.30000110.7V186 K188 D226V186-V201 HydrophobicContact CB-CG2 3.97Å; V186-V201 HydrophobicContact CG1-CG2 4.19Å; V186-V201 PolarHBondContact N-O 3.01Å; V186-V201 PolarHBondContact O-N 3.31Å; K188-V201 HydrophobicContact CD-CG1 3.83Å; K188-V201 HydrophobicContact CD-CG2 3.82Å; K188-V201 HydrophobicContact CG-CG2 4.17Å; V201-D226 HydrophobicContact CG1-CB 4.19Å
202P88.4Confident90.8Very high16 Ų1663.2 Ų63.210%0.10434%0.344CS..EExtended strand (participates in β ladder)trans-56.3157.5172.8-25.335.2000112.7S224 F238P202-S224 VanDerWaalsContact O-CA 3.29Å; P202-S224 WeakPolarHBondContact O-CA 3.3Å; P202-F238 HydrophobicContact CB-CE1 4.35Å; P202-F238 HydrophobicContact CG-CD1 4.47Å; P202-F238 HydrophobicContact CG-CE1 3.94Å
203S90.6Very high90.8Very high3 Ų364.8 Ų64.82%0.02134%0.343CS..  trans-145.6170175.5-169.10000111H182 G184 V186 S233H182-S203 WeakPolarHBondContact NE2-CB 3.26Å; H182-S203 PolarHBondContact NE2-OG 3.4Å; G184-S203 VanDerWaalsContact C-CB 3.45Å; G184-S203 WeakPolarHBondContact CA-O 3.26Å; G184-S203 PolarHBondContact O-N 2.97Å; V186-S203 WeakPolarHBondContact CG2-OG 3.23Å; S203-S233 VanDerWaalsContact O-CA 3.31Å; S203-S233 WeakPolarHBondContact O-CA 3.24Å
204I90.7Very high90.8Very high14 Ų1468.8 Ų68.87%0.07236%0.364CS..BIsolated β-bridgetrans-55.7142.5172.554.6-175.6000111.7I160 F179 H182 G184 F218 V223 L232I160-I204 HydrophobicContact CD1-CD1 3.75Å; I160-I204 HydrophobicContact CG1-CD1 4.44Å; F179-I204 HydrophobicContact CD2-CD1 4.48Å; F179-I204 HydrophobicContact CE2-CD1 3.61Å; F179-I204 HydrophobicContact CE2-CG1 4.28Å; F179-I204 HydrophobicContact CZ-CD1 4.38Å; H182-I204 PolarHBondContact NE2-O 3.35Å; G184-I204 WeakPolarHBondContact CA-O 3.36Å; I204-F218 HydrophobicContact CD1-CZ 4.12Å; I204-F218 HydrophobicContact CG2-CE1 4.21Å; I204-F218 HydrophobicContact CG2-CE2 4.04Å; I204-F218 HydrophobicContact CG2-CZ 3.79Å; I204-V223 HydrophobicContact CG2-CB 4.42Å; I204-V223 HydrophobicContact CG2-CG1 3.65Å; I204-L232 WeakPolarHBondContact CA-O 3.2Å; I204-L232 HydrophobicContact CG2-CB 4.21Å
205K88.8Confident91Very high79 Ų7963.6 Ų63.634%0.34334%0.337SS..PPolyproline II helixtrans-65.3163.8174.868.2-167.8173.7-1630113.3H207 L232 E234K205-H207 PolarHBondContact O-CD2 2.82Å; K205-L232 WeakPolarHBondContact CG-O 3.15Å; K205-L232 PolarHBondContact N-O 2.95Å; K205-E234 HydrophobicContact CB-CB 4.49Å; K205-E234 HydrophobicContact CB-CG 3.27Å
206N91.3Very high91.1Very high42 Ų4257.8 Ų57.823%0.22531%0.311CS..PPolyproline II helixtrans-62.4142.6174.5-68.6-27.6000111.8K181 H182 N183 E234K181-N206 VanDerWaalsContact CA-OD1 3.23Å; K181-N206 WeakPolarHBondContact CA-OD1 3.46Å; K181-N206 HydrophobicContact CB-CB 4.27Å; K181-N206 VanDerWaalsContact CB-OD1 3.25Å; K181-N206 WeakPolarHBondContact CB-OD1 3.29Å; K181-N206 HydrophobicContact CD-CB 4.27Å; K181-N206 HydrophobicContact CG-CB 4.1Å; H182-N206 PolarHBondContact N-OD1 2.66Å; N183-N206 PolarHBondContact N-OD1 2.93Å; N183-N206 VanDerWaalsContact N-OD1 3.11Å; N183-N206 PolarHBondContact OD1-ND2 3.4Å; N206-E234 PolarHBondContact N-OE1 3.39Å
207H90.7Very high91.1Very high3 Ų361.6 Ų61.61%0.01432%0.323CS..  trans-129.5139.7-179.5-80.7-74.3000110.2P141 F162 F179 K181 K205 R213 I216P141-H207 HydrophobicContact CG-CB 4.1Å; P141-H207 WeakPolarHBondContact CG-O 3.33Å; F162-H207 HydrophobicContact CE1-CB 3.88Å; F162-H207 AromaticContact CE1-CG 3.92Å; F162-H207 AromaticContact CE1-ND1 3.61Å; F162-H207 AromaticContact CZ-ND1 3.68Å; F179-H207 HydrophobicContact CE1-CB 4.06Å; F179-H207 HydrophobicContact CE2-CB 4.37Å; F179-H207 HydrophobicContact CZ-CB 3.96Å; K181-H207 VanDerWaalsContact CE-O 3.31Å; K181-H207 WeakPolarHBondContact CE-O 3.46Å; K205-H207 PolarHBondContact O-CD2 2.82Å; H207-R213 PolarHBondContact CE1-NH2 3.02Å; H207-R213 PolarHBondContact ND1-NH1 3.43Å; H207-I216 WeakPolarHBondContact CE1-CD1 3.47Å
208D90.3Very high91.2Very high99 Ų9959.2 Ų59.253%0.52931%0.305SS..  trans-105.9157.5175.9-80.4-69.2000111.3F162 K181 S210F162-D208 WeakPolarHBondContact CD1-O 3.13Å; K181-D208 WeakPolarHBondContact CE-OD1 3.29Å; K181-D208 VanDerWaalsContact NZ-CG 3.27Å; K181-D208 IonicContact NZ-OD1 3.07Å; K181-D208 PolarHBondContact NZ-OD1 3.48Å; K181-D208 IonicContact NZ-OD2 3.3Å; K181-D208 PolarHBondContact NZ-OD2 3.16Å; D208-S210 PolarHBondContact O-N 3.19Å
209K89.3Confident91.1Very high140 Ų14058.8 Ų58.861%0.60930%0.302SS*.  trans-56.5137.6170.3-178.6176.8177.5-177.40109.2
210S92.7Very high90.9Very high42 Ų4256.9 Ų56.929%0.29429%0.291SS..  trans-148.6128.4177.1178.40000109.9F162 N163 D208 R213F162-S210 WeakPolarHBondContact CB-O 3.32Å; N163-S210 PolarHBondContact ND2-O 2.94Å; D208-S210 PolarHBondContact O-N 3.19Å; S210-R213 WeakPolarHBondContact OG-CB 3.44Å
211V88.5Confident90.7Very high104 Ų10457.7 Ų57.763%0.6330%0.295SS*.SBendtrans-72.8-33.6-174.9-176.90000111.6N163N163-V211 PolarHBondContact ND2-O 2.87Å; N163-V211 VanDerWaalsContact ND2-O 3.07Å
212D87.9Confident90.3Very high152 Ų15260.5 Ų60.581%0.81331%0.314SS*.SBendtrans-106.43.5-171.8-51.9-50.2000113.5
213R93.4Very high90Very high93 Ų9359.8 Ų59.835%0.35131%0.31SS..PPolyproline II helixtrans-86.6129.3-176.4-171.1173.8-174.7165.610.8111.6F162 N163 H207 S210F162-R213 HydrophobicContact CB-CB 4.2Å; F162-R213 HydrophobicContact CD2-CB 4.09Å; F162-R213 HydrophobicContact CD2-CG 3.71Å; F162-R213 HydrophobicContact CE2-CG 3.92Å; F162-R213 HydrophobicContact CG-CB 4.09Å; F162-R213 HydrophobicContact CG-CG 4.07Å; F162-R213 HydrophobicContact CZ-CG 4.42Å; N163-R213 PolarHBondContact ND2-O 3.13Å; H207-R213 PolarHBondContact CE1-NH2 3.02Å; H207-R213 PolarHBondContact ND1-NH1 3.43Å; S210-R213 WeakPolarHBondContact OG-CB 3.44Å
214T94.2Very high89.4Confident103 Ų10360.8 Ų60.863%0.63232%0.317SS*.PPolyproline II helixtrans-71.9154.117257.90000111.6F162F162-T214 WeakPolarHBondContact CD2-O 3.33Å; F162-T214 WeakPolarHBondContact CE2-O 3.35Å
215P96.8Very high88.7Confident14 Ų1464.8 Ų64.89%0.09133%0.333CS..PPolyproline II helixtrans-57.3149.9175.7-25.535000113.5I160 V161 G166 H169 F217I160-P215 CarbonylContact O-C 3.5Å; I160-P215 WeakPolarHBondContact O-CA 3.39Å; V161-P215 HydrophobicContact CG2-CB 4.09Å; V161-P215 HydrophobicContact CG2-CG 4.14Å; G166-P215 VanDerWaalsContact CA-CG 3.49Å; G166-P215 VanDerWaalsContact O-CG 3.26Å; G166-P215 WeakPolarHBondContact O-CG 3.48Å; H169-P215 HydrophobicContact CB-CG 4.3Å; P215-F217 HydrophobicContact CB-CD2 4.36Å; P215-F217 HydrophobicContact CB-CE2 3.71Å; P215-F217 HydrophobicContact CB-CZ 4.03Å; P215-F217 HydrophobicContact CG-CE2 4.45Å
216I95.3Very high87.7Confident26 Ų2667.3 Ų67.313%0.13335%0.351CS..EExtended strand (participates in β ladder)trans-101.8122.4169.6-62.5170.4000107.8A159 I160 F162 H207 F218 L232A159-I216 CarbonylContact C-O 3.6Å; A159-I216 WeakPolarHBondContact CA-O 3.34Å; I160-I216 HydrophobicContact CB-CB 4.44Å; I160-I216 PolarHBondContact N-O 2.96Å; I160-I216 PolarHBondContact O-N 3.02Å; F162-I216 HydrophobicContact CE2-CD1 4.07Å; F162-I216 HydrophobicContact CE2-CG1 3.94Å; F162-I216 HydrophobicContact CZ-CD1 3.7Å; F162-I216 HydrophobicContact CZ-CG1 4.11Å; H207-I216 WeakPolarHBondContact CE1-CD1 3.47Å; I216-F218 HydrophobicContact CG2-CD1 4.3Å; I216-L232 HydrophobicContact CG2-CD1 3.92Å; I216-L232 HydrophobicContact CG2-CD2 3.79Å
217F94.7Very high86.5Confident115 Ų11568.6 Ų68.650%0.50437%0.374SS..EExtended strand (participates in β ladder)trans-104.7134.9173.6-64.6-88.9000110.2I158 A159 H169 L170 P215I158-F217 WeakPolarHBondContact O-CA 3.43Å; A159-F217 HydrophobicContact CB-CD1 3.6Å; A159-F217 HydrophobicContact CB-CE1 3.56Å; A159-F217 HydrophobicContact CB-CG 4.38Å; A159-F217 HydrophobicContact CB-CZ 4.31Å; H169-F217 HydrophobicContact CB-CE2 4.16Å; H169-F217 HydrophobicContact CB-CZ 3.78Å; H169-F217 WeakPolarHBondContact O-CZ 3.49Å; L170-F217 HydrophobicContact CD2-CE1 4.17Å; L170-F217 HydrophobicContact CD2-CZ 4.41Å; P215-F217 HydrophobicContact CB-CD2 4.36Å; P215-F217 HydrophobicContact CB-CE2 3.71Å; P215-F217 HydrophobicContact CB-CZ 4.03Å; P215-F217 HydrophobicContact CG-CE2 4.45Å
218F92.9Very high85.2Confident25 Ų2569.9 Ų69.911%0.1138%0.383CS..EExtended strand (participates in β ladder)trans-152.5167.5175.465.9-80.9000111.2I158 I160 I204 I216 V223 L232I158-F218 HydrophobicContact CB-CD1 4.48Å; I158-F218 HydrophobicContact CB-CE1 3.98Å; I158-F218 HydrophobicContact CB-CE2 4.06Å; I158-F218 HydrophobicContact CB-CZ 3.76Å; I158-F218 HydrophobicContact CD1-CE2 4.22Å; I158-F218 HydrophobicContact CD1-CZ 4.31Å; I158-F218 HydrophobicContact CG2-CE1 3.74Å; I158-F218 HydrophobicContact CG2-CE2 4.34Å; I158-F218 HydrophobicContact CG2-CZ 3.57Å; I158-F218 PolarHBondContact N-O 3.19Å; I158-F218 PolarHBondContact O-N 3.07Å; I158-F218 VanDerWaalsContact O-O 3.11Å; I160-F218 HydrophobicContact CD1-CE1 3.95Å; I160-F218 HydrophobicContact CG1-CE1 3.98Å; I204-F218 HydrophobicContact CD1-CZ 4.12Å; I204-F218 HydrophobicContact CG2-CE1 4.21Å; I204-F218 HydrophobicContact CG2-CE2 4.04Å; I204-F218 HydrophobicContact CG2-CZ 3.79Å; I216-F218 HydrophobicContact CG2-CD1 4.3Å; F218-V223 HydrophobicContact CB-CG2 4.42Å; F218-V223 HydrophobicContact CD2-CB 4.28Å; F218-V223 HydrophobicContact CD2-CG2 3.52Å; F218-V223 HydrophobicContact CE2-CB 4.4Å; F218-V223 HydrophobicContact CE2-CG2 4.09Å; F218-V223 HydrophobicContact CG-CG2 4.21Å; F218-L232 HydrophobicContact CB-CD1 3.6Å; F218-L232 HydrophobicContact CD1-CD1 4.03Å; F218-L232 HydrophobicContact CG-CD1 3.84Å
219H89.7Confident83.9Confident28 Ų2872.8 Ų72.813%0.1339%0.393CS..EExtended strand (participates in β ladder)trans-99.3131.8173.5-168-69.7000109D153 H156 H221 S222D153-H219 PolarHBondContact O-NE2 3.27Å; D153-H219 IonicContact OD1-CD2 3.81Å; D153-H219 IonicContact OD1-CE1 3.78Å; D153-H219 IonicContact OD1-NE2 2.82Å; D153-H219 PolarHBondContact OD1-NE2 2.99Å; D153-H219 IonicContact OD2-CD2 3.47Å; D153-H219 IonicContact OD2-NE2 2.71Å; H156-H219 WeakPolarHBondContact CB-CE1 3.4Å; H156-H219 WeakPolarHBondContact CB-NE2 3.26Å; H219-H221 VanDerWaalsContact C-N 3.32Å; H219-H221 AromaticContact CE1-CG 3.75Å; H219-H221 AromaticContact CE1-ND1 3.31Å; H219-H221 PolarHBondContact CE1-ND1 3.14Å; H219-H221 VanDerWaalsContact CE1-ND1 3.31Å; H219-H221 AromaticContact ND1-CG 3.94Å; H219-H221 PolarHBondContact ND1-N 2.94Å; H219-H221 AromaticContact ND1-ND1 3.95Å; H219-H221 PolarHBondContact O-N 3.07Å; H219-S222 WeakPolarHBondContact O-CB 3.36Å; H219-S222 PolarHBondContact O-N 2.96Å
220S85.9Confident83.2Confident18 Ų1867.1 Ų67.113%0.12637%0.371CS..G310 helixtrans-56.2-45.1-173.4660000112.7H156 S222 V223 S224H156-S220 PolarHBondContact O-N 3.4Å; S220-S222 PolarHBondContact O-N 3.12Å; S220-S222 VanDerWaalsContact O-N 3.12Å; S220-V223 PolarHBondContact O-N 3.15Å; S220-V223 VanDerWaalsContact O-N 3.14Å; S220-S224 PolarHBondContact O-N 3.22Å
221H83.3Confident82.3Confident89 Ų8970.8 Ų70.841%0.41239%0.394SS..G310 helixtrans-64.1-13.9178.1-56.4148.7000114.7H156 H219H156-H221 AromaticContact CD2-CE1 3.74Å; H156-H221 AromaticContact CE1-CE1 3.79Å; H156-H221 AromaticContact CE1-NE2 3.85Å; H156-H221 AromaticContact CG-CE1 3.72Å; H156-H221 AromaticContact ND1-CE1 3.75Å; H156-H221 AromaticContact ND1-NE2 3.73Å; H156-H221 AromaticContact NE2-CE1 3.8Å; H219-H221 VanDerWaalsContact C-N 3.32Å; H219-H221 AromaticContact CE1-CG 3.75Å; H219-H221 AromaticContact CE1-ND1 3.31Å; H219-H221 PolarHBondContact CE1-ND1 3.14Å; H219-H221 VanDerWaalsContact CE1-ND1 3.31Å; H219-H221 AromaticContact ND1-CG 3.94Å; H219-H221 PolarHBondContact ND1-N 2.94Å; H219-H221 AromaticContact ND1-ND1 3.95Å; H219-H221 PolarHBondContact O-N 3.07Å
222S82Confident81.8Confident66 Ų6667.5 Ų67.546%0.46237%0.373SS..G310 helixtrans-88.3-7.5178.1-51.50000113.2H219 S220H219-S222 WeakPolarHBondContact O-CB 3.36Å; H219-S222 PolarHBondContact O-N 2.96Å; S220-S222 PolarHBondContact O-N 3.12Å; S220-S222 VanDerWaalsContact O-N 3.12Å
223V80.7Confident81.1Confident1 Ų160.6 Ų60.61%0.00634%0.337CS..THydrogen-bonded Turntrans-126.9-47.5-176.5-171.50000111.6I204 F218 S220 K225 L232 S233I204-V223 HydrophobicContact CG2-CB 4.42Å; I204-V223 HydrophobicContact CG2-CG1 3.65Å; F218-V223 HydrophobicContact CB-CG2 4.42Å; F218-V223 HydrophobicContact CD2-CB 4.28Å; F218-V223 HydrophobicContact CD2-CG2 3.52Å; F218-V223 HydrophobicContact CE2-CB 4.4Å; F218-V223 HydrophobicContact CE2-CG2 4.09Å; F218-V223 HydrophobicContact CG-CG2 4.21Å; S220-V223 PolarHBondContact O-N 3.15Å; S220-V223 VanDerWaalsContact O-N 3.14Å; V223-K225 PolarHBondContact O-N 2.7Å; V223-L232 HydrophobicContact CG2-CB 4.49Å; V223-L232 HydrophobicContact CG2-CD1 4.21Å; V223-S233 WeakPolarHBondContact CG1-OG 3.29Å
224S78.4Confident79.8Confident24 Ų2458.3 Ų58.317%0.16833%0.33CS..SBendtrans-102.449.4-171.1-56.70000112.9K188 P202 S220K188-S224 WeakPolarHBondContact CE-O 3.44Å; P202-S224 VanDerWaalsContact O-CA 3.29Å; P202-S224 WeakPolarHBondContact O-CA 3.3Å; S220-S224 PolarHBondContact O-N 3.22Å
225K75.2Confident78.1Confident97 Ų9761 Ų6142%0.42234%0.339SS..SBendtrans-137.6146.9179.2-170.9178.3-178.4-175.10110.1V223 C228V223-K225 PolarHBondContact O-N 2.7Å; K225-C228 WeakPolarHBondContact O-CB 3.25Å; K225-C228 PolarHBondContact O-N 2.73Å; K225-C228 VanDerWaalsContact O-N 3.15Å
226D68.6Low76.2Confident133 Ų13363.7 Ų63.771%0.71136%0.359SS*.THydrogen-bonded Turntrans-58141176.7-169.825000111.8V201 C228V201-D226 HydrophobicContact CG1-CB 4.19Å; D226-C228 PolarHBondContact O-N 3.35Å
227G66.3Low74.2Confident68 Ų6863.3 Ų63.370%0.70136%0.358SS*.THydrogen-bonded Turntrans71-3.6-17400000116.2Q229G227-Q229 PolarHBondContact O-N 3.13Å
228C62.6Low72.1Confident31 Ų3161 Ų6121%0.20935%0.348CS..  trans-78.9121.4178.6-76.30000112.5K225 D226 F238K225-C228 WeakPolarHBondContact O-CB 3.25Å; K225-C228 PolarHBondContact O-N 2.73Å; K225-C228 VanDerWaalsContact O-N 3.15Å; D226-C228 PolarHBondContact O-N 3.35Å; C228-F238 WeakPolarHBondContact O-CE1 3.31Å
229Q63Low70.1Confident160 Ų16063.2 Ų63.275%0.74837%0.367SS*.  trans-101.1103.9166.5-67.8-173.7-14.500109.8G227 F238G227-Q229 PolarHBondContact O-N 3.13Å; Q229-F238 HydrophobicContact CB-CE1 4.46Å; Q229-F238 HydrophobicContact CB-CZ 4.22Å; Q229-F238 HydrophobicContact CG-CD1 4.28Å; Q229-F238 HydrophobicContact CG-CE1 3.71Å; Q229-F238 HydrophobicContact CG-CZ 3.88Å
230S74.7Confident68.1Low20 Ų2069.7 Ų69.714%0.1440%0.402CS..  trans-107.3141.3174.3-179.90000110.6L232 S233S230-L232 PolarHBondContact O-N 3.18Å; S230-L232 WeakPolarHBondContact OG-CB 3.4Å; S230-L232 PolarHBondContact OG-N 3.15Å; S230-L232 VanDerWaalsContact OG-N 3.16Å; S230-S233 WeakPolarHBondContact O-CB 3.18Å; S230-S233 PolarHBondContact O-N 3.4Å
231P73.8Confident66.2Low119 Ų11976.5 Ų76.577%0.77343%0.43SS*.THydrogen-bonded Turntrans-59.1-15.3167.9-21.933000113.8
232L78.2Confident64.4Low35 Ų3580.2 Ų80.218%0.18345%0.447CS..THydrogen-bonded Turntrans-82.4-21175-58.9179.3000112.8I204 K205 I216 F218 V223 S230I204-L232 WeakPolarHBondContact CA-O 3.2Å; I204-L232 HydrophobicContact CG2-CB 4.21Å; K205-L232 WeakPolarHBondContact CG-O 3.15Å; K205-L232 PolarHBondContact N-O 2.95Å; I216-L232 HydrophobicContact CG2-CD1 3.92Å; I216-L232 HydrophobicContact CG2-CD2 3.79Å; F218-L232 HydrophobicContact CB-CD1 3.6Å; F218-L232 HydrophobicContact CD1-CD1 4.03Å; F218-L232 HydrophobicContact CG-CD1 3.84Å; V223-L232 HydrophobicContact CG2-CB 4.49Å; V223-L232 HydrophobicContact CG2-CD1 4.21Å; S230-L232 PolarHBondContact O-N 3.18Å; S230-L232 WeakPolarHBondContact OG-CB 3.4Å; S230-L232 PolarHBondContact OG-N 3.15Å; S230-L232 VanDerWaalsContact OG-N 3.16Å
233S74.5Confident62.6Low8 Ų881.4 Ų81.46%0.05645%0.452CS..BIsolated β-bridgetrans-78.8154.5177.7-52.30000111.2S203 V223 S230S203-S233 VanDerWaalsContact O-CA 3.31Å; S203-S233 WeakPolarHBondContact O-CA 3.24Å; V223-S233 WeakPolarHBondContact CG1-OG 3.29Å; S230-S233 WeakPolarHBondContact O-CB 3.18Å; S230-S233 PolarHBondContact O-N 3.4Å
234E65.4Low61.1Low44 Ų4486.1 Ų86.121%0.20648%0.481CS..  trans-72.1137.5170.6-63-171.3-177.300110.1K205 N206 S236 S237 F238K205-E234 HydrophobicContact CB-CB 4.49Å; K205-E234 HydrophobicContact CB-CG 3.27Å; N206-E234 PolarHBondContact N-OE1 3.39Å; E234-S236 WeakPolarHBondContact CB-OG 3.26Å; E234-S236 PolarHBondContact O-N 2.85Å; E234-S236 PolarHBondContact OE2-OG 2.78Å; E234-S237 WeakPolarHBondContact O-CB 3.09Å; E234-S237 PolarHBondContact O-N 2.96Å; E234-S237 PolarHBondContact O-OG 3.43Å; E234-F238 WeakPolarHBondContact O-CE2 3.33Å
235L59Low59.7Low159 Ų15989.4 Ų89.483%0.83250%0.5SS*.G310 helixtrans-61.1-32175-79160.3000111.7S237 F238L235-S237 PolarHBondContact O-N 3.42Å; L235-F238 WeakPolarHBondContact O-CD2 3.33Å; L235-F238 PolarHBondContact O-N 2.82Å
236S56.3Low59.1Low72 Ų7290.5 Ų90.550%0.50352%0.517SS..G310 helixtrans-65.6-23.8174.638.70000113.3E234 F238 S239E234-S236 WeakPolarHBondContact CB-OG 3.26Å; E234-S236 PolarHBondContact O-N 2.85Å; E234-S236 PolarHBondContact OE2-OG 2.78Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.14Å; S236-S239 PolarHBondContact O-N 3.48Å
237S52.8Low59.4Low17 Ų1786.9 Ų86.912%0.11949%0.494CS..G310 helixtrans-61.4-20.6175.9-56.10000112.6G184 E234 L235G184-S237 WeakPolarHBondContact O-CB 3.3Å; G184-S237 PolarHBondContact O-OG 2.56Å; E234-S237 WeakPolarHBondContact O-CB 3.09Å; E234-S237 PolarHBondContact O-N 2.96Å; E234-S237 PolarHBondContact O-OG 3.43Å; L235-S237 PolarHBondContact O-N 3.42Å
238F51.9Low60.3Low66 Ų6687.7 Ų87.729%0.28948%0.482SS..G310 helixtrans-93.9-0.5178.8-54.6-71.7000113.7P202 C228 Q229 E234 L235 S236 D240P202-F238 HydrophobicContact CB-CE1 4.35Å; P202-F238 HydrophobicContact CG-CD1 4.47Å; P202-F238 HydrophobicContact CG-CE1 3.94Å; C228-F238 WeakPolarHBondContact O-CE1 3.31Å; Q229-F238 HydrophobicContact CB-CE1 4.46Å; Q229-F238 HydrophobicContact CB-CZ 4.22Å; Q229-F238 HydrophobicContact CG-CD1 4.28Å; Q229-F238 HydrophobicContact CG-CE1 3.71Å; Q229-F238 HydrophobicContact CG-CZ 3.88Å; E234-F238 WeakPolarHBondContact O-CE2 3.33Å; L235-F238 WeakPolarHBondContact O-CD2 3.33Å; L235-F238 PolarHBondContact O-N 2.82Å; S236-F238 PolarHBondContact O-N 2.84Å; S236-F238 VanDerWaalsContact O-N 3.14Å; F238-D240 PolarHBondContact O-N 2.88Å
239S49.6Very low61.4Low72 Ų7292.9 Ų92.950%0.50350%0.503SS..  trans-66.8115.5-179960000108.6S236 K241S236-S239 PolarHBondContact O-N 3.48Å; S239-K241 CarbonylContact O-C 3.54Å; S239-K241 PolarHBondContact O-N 3.33Å
240D48.3Very low62.8Low164 Ų16488.4 Ų88.488%0.87749%0.49SS*.SBendtrans-52.9-3178.4-76.2-40.4000115.2F238 Q242F238-D240 PolarHBondContact O-N 2.88Å; D240-Q242 PolarHBondContact O-N 3.43Å
241K45.1Very low63.8Low161 Ų16187.9 Ų87.970%0.749%0.485SS*.  trans-69.980.1161.2-62.2-173.2-179-178.10107S239 T243S239-K241 CarbonylContact O-C 3.54Å; S239-K241 PolarHBondContact O-N 3.33Å; K241-T243 HydrophobicContact CB-CG2 4.37Å; K241-T243 PolarHBondContact O-N 3.17Å
242Q45.6Very low64.8Low167 Ų16782.3 Ų82.378%0.7845%0.449SS*.  trans-47.576141.4-77.6178.93400107D240 T244D240-Q242 PolarHBondContact O-N 3.43Å; Q242-T244 HydrophobicContact CB-CG2 3.97Å; Q242-T244 PolarHBondContact O-N 2.95Å
243T44.8Very low65.6Low92 Ų9284.1 Ų84.156%0.56446%0.459SS*.  trans-68.978.5156.746.20000103.5K241 T245K241-T243 HydrophobicContact CB-CG2 4.37Å; K241-T243 PolarHBondContact O-N 3.17Å; T243-T245 PolarHBondContact O-N 2.87Å
244T48.2Very low66.7Low100 Ų10089 Ų8961%0.61348%0.479SS*.  trans-65.569.8165.356.70000106Q242 P246Q242-T244 HydrophobicContact CB-CG2 3.97Å; Q242-T244 PolarHBondContact O-N 2.95Å; T244-P246 VanDerWaalsContact C-N 3.28Å; T244-P246 WeakPolarHBondContact O-CD 3.49Å
245T49.1Very low68.2Low92 Ų9286.9 Ų86.956%0.56447%0.469SS*.  trans-56.2109.8144.930.90000104T243 Y247T243-T245 PolarHBondContact O-N 2.87Å; T245-Y247 PolarHBondContact O-N 2.76Å
246P64.1Low70Confident121 Ų12179.6 Ų79.679%0.78643%0.432SS*.  trans-56.3120.4177.422.9-30.4000106.3T244T244-P246 VanDerWaalsContact C-N 3.28Å; T244-P246 WeakPolarHBondContact O-CD 3.49Å
247Y75Confident72Confident56 Ų5680.7 Ų80.722%0.2243%0.429CS..  trans-57.7146.9171.4-69.8-62.2000108.3L187 I198 E200 T245 E249 F252L187-Y247 HydrophobicContact CD1-CD1 3.78Å; L187-Y247 HydrophobicContact CD1-CE1 3.53Å; L187-Y247 HydrophobicContact CD2-CD1 4.43Å; L187-Y247 HydrophobicContact CD2-CE1 3.58Å; L187-Y247 HydrophobicContact CD2-CE2 3.85Å; L187-Y247 WeakPolarHBondContact CD2-OH 3.48Å; L187-Y247 HydrophobicContact CG-CE1 4.21Å; I198-Y247 HydrophobicContact CD1-CD2 4.42Å; I198-Y247 HydrophobicContact CD1-CG 4.27Å; I198-Y247 HydrophobicContact CG2-CD2 4.13Å; E200-Y247 PolarHBondContact OE2-OH 3.09Å; T245-Y247 PolarHBondContact O-N 2.76Å; Y247-E249 VanDerWaalsContact C-N 3.26Å; Y247-E249 PolarHBondContact O-N 2.9Å; Y247-F252 HydrophobicContact CD1-CE2 4.26Å; Y247-F252 HydrophobicContact CG-CE2 4.23Å
248D83.7Confident74.1Confident86 Ų8682.2 Ų82.246%0.4643%0.434SS..  trans-68.389.3175.3-175.7-13.9000109S250 L251 F252D248-S250 PolarHBondContact O-N 3.35Å; D248-S250 WeakPolarHBondContact OD1-CA 3.48Å; D248-S250 VanDerWaalsContact OD1-CB 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.46Å; D248-S250 PolarHBondContact OD1-N 2.84Å; D248-S250 VanDerWaalsContact OD1-N 3.07Å; D248-L251 HydrophobicContact CB-CB 3.77Å; D248-L251 VanDerWaalsContact O-CB 3.31Å; D248-L251 WeakPolarHBondContact O-CB 3.45Å; D248-L251 PolarHBondContact O-N 2.87Å; D248-L251 PolarHBondContact OD1-N 2.82Å; D248-F252 WeakPolarHBondContact O-CD2 3.22Å; D248-F252 PolarHBondContact O-N 2.9Å; D248-F252 VanDerWaalsContact O-N 3.13Å
249E86.9Confident76.3Confident139 Ų13979 Ų7965%0.6542%0.42SS*.Hα-helixtrans-56.6-32.5179.6-68.9-174.6173.800111.4Y247 F252 N253Y247-E249 VanDerWaalsContact C-N 3.26Å; Y247-E249 PolarHBondContact O-N 2.9Å; E249-F252 PolarHBondContact O-N 2.76Å; E249-N253 WeakPolarHBondContact O-CB 3.43Å; E249-N253 PolarHBondContact O-N 2.79Å; E249-N253 PolarHBondContact O-ND2 2.95Å
250S92Very high78.6Confident66 Ų6678.6 Ų78.646%0.46241%0.407SS..Hα-helixtrans-64.4-42.7176.4-171.90000110.9D248 K254D248-S250 PolarHBondContact O-N 3.35Å; D248-S250 WeakPolarHBondContact OD1-CA 3.48Å; D248-S250 VanDerWaalsContact OD1-CB 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.46Å; D248-S250 PolarHBondContact OD1-N 2.84Å; D248-S250 VanDerWaalsContact OD1-N 3.07Å; S250-K254 WeakPolarHBondContact O-CB 3.38Å; S250-K254 VanDerWaalsContact O-CG 3.23Å; S250-K254 WeakPolarHBondContact O-CG 3.39Å; S250-K254 PolarHBondContact O-N 3.46Å
251L94.8Very high80.9Confident9 Ų976.7 Ų76.75%0.04739%0.391CS..Hα-helixtrans-60.4-48.9175.1179.265.1000112I113 E116 I117 D248 K254 L255 Y290I113-L251 HydrophobicContact CB-CD1 3.71Å; I113-L251 HydrophobicContact CG2-CD1 3.53Å; E116-L251 HydrophobicContact CB-CD1 3.82Å; E116-L251 HydrophobicContact CB-CD2 3.76Å; E116-L251 HydrophobicContact CB-CG 4.47Å; E116-L251 HydrophobicContact CG-CD1 4.27Å; E116-L251 HydrophobicContact CG-CD2 4.4Å; I117-L251 HydrophobicContact CD1-CD1 3.76Å; I117-L251 HydrophobicContact CD1-CD2 4.21Å; I117-L251 HydrophobicContact CD1-CG 3.76Å; I117-L251 HydrophobicContact CG1-CD1 4.26Å; I117-L251 HydrophobicContact CG1-CD2 4.29Å; I117-L251 HydrophobicContact CG1-CG 4.35Å; D248-L251 HydrophobicContact CB-CB 3.77Å; D248-L251 VanDerWaalsContact O-CB 3.31Å; D248-L251 WeakPolarHBondContact O-CB 3.45Å; D248-L251 PolarHBondContact O-N 2.87Å; D248-L251 PolarHBondContact OD1-N 2.82Å; L251-K254 WeakPolarHBondContact O-CB 3.44Å; L251-K254 PolarHBondContact O-N 3.42Å; L251-L255 PolarHBondContact O-N 2.94Å; L251-Y290 HydrophobicContact CD2-CD2 3.87Å; L251-Y290 HydrophobicContact CD2-CE2 3.85Å
252F95Very high83.3Confident3 Ų372.7 Ų72.71%0.01338%0.38CS..Hα-helixtrans-72-34.5-177.6-64.4-67000113L187 L189 I198 Y247 D248 E249 L255 A256 L272 Y290L187-F252 HydrophobicContact CD1-CE1 4.48Å; L187-F252 HydrophobicContact CD1-CZ 3.97Å; L189-F252 HydrophobicContact CD1-CB 4.16Å; L189-F252 HydrophobicContact CD2-CB 4.37Å; I198-F252 HydrophobicContact CD1-CD1 3.84Å; I198-F252 HydrophobicContact CD1-CD2 3.6Å; I198-F252 HydrophobicContact CD1-CE1 3.84Å; I198-F252 HydrophobicContact CD1-CE2 3.67Å; I198-F252 HydrophobicContact CD1-CG 3.72Å; I198-F252 HydrophobicContact CD1-CZ 3.76Å; Y247-F252 HydrophobicContact CD1-CE2 4.26Å; Y247-F252 HydrophobicContact CG-CE2 4.23Å; D248-F252 WeakPolarHBondContact O-CD2 3.22Å; D248-F252 PolarHBondContact O-N 2.9Å; D248-F252 VanDerWaalsContact O-N 3.13Å; E249-F252 PolarHBondContact O-N 2.76Å; F252-L255 WeakPolarHBondContact O-CB 3.46Å; F252-L255 PolarHBondContact O-N 3.41Å; F252-A256 WeakPolarHBondContact O-CB 3.31Å; F252-A256 PolarHBondContact O-N 2.89Å; F252-L272 HydrophobicContact CD1-CD1 4.37Å; F252-L272 HydrophobicContact CE1-CD1 4.25Å; F252-L272 HydrophobicContact CE1-CD2 4.18Å; F252-Y290 HydrophobicContact CE1-CG 4.39Å; F252-Y290 HydrophobicContact CZ-CD1 4.07Å; F252-Y290 HydrophobicContact CZ-CD2 4.13Å; F252-Y290 AromaticContact CZ-CE1 3.94Å; F252-Y290 HydrophobicContact CZ-CE1 3.94Å; F252-Y290 AromaticContact CZ-CE2 3.98Å; F252-Y290 HydrophobicContact CZ-CE2 3.98Å; F252-Y290 HydrophobicContact CZ-CG 4.16Å; F252-Y290 AromaticContact CZ-CZ 3.88Å
253N95.7Very high85.7Confident72 Ų7265.5 Ų65.539%0.38535%0.347SS..Hα-helixtrans-64.3-39.9171.3-76.9-40.1000111.7S196 E249 A256 H257S196-N253 PolarHBondContact OG-OD1 3.16Å; E249-N253 WeakPolarHBondContact O-CB 3.43Å; E249-N253 PolarHBondContact O-N 2.79Å; E249-N253 PolarHBondContact O-ND2 2.95Å; N253-A256 PolarHBondContact O-N 3.4Å; N253-H257 WeakPolarHBondContact O-CB 3.45Å; N253-H257 PolarHBondContact O-N 2.82Å
254K96.5Very high88.2Confident111 Ų11168.4 Ų68.448%0.48335%0.352SS..Hα-helixtrans-62.6-43172.9-74.9171-174.6177.80111.6I113 S250 L251 H257 E258I113-K254 HydrophobicContact CG2-CB 3.89Å; I113-K254 HydrophobicContact CG2-CD 4.02Å; S250-K254 WeakPolarHBondContact O-CB 3.38Å; S250-K254 VanDerWaalsContact O-CG 3.23Å; S250-K254 WeakPolarHBondContact O-CG 3.39Å; S250-K254 PolarHBondContact O-N 3.46Å; L251-K254 WeakPolarHBondContact O-CB 3.44Å; L251-K254 PolarHBondContact O-N 3.42Å; K254-H257 PolarHBondContact O-N 3.27Å; K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 3.24Å
255L97.8Very high90.5Very high0 Ų063.6 Ų63.60%032%0.323CS..Hα-helixtrans-58.5-51.5174.4174.763.6000111.2I108 I113 I117 L189 L251 F252 H257 E258 V259 I270 L272 I292I108-L255 HydrophobicContact CD1-CD1 3.76Å; I113-L255 HydrophobicContact CD1-CB 3.82Å; I113-L255 HydrophobicContact CD1-CD1 3.84Å; I113-L255 HydrophobicContact CD1-CG 4.44Å; I117-L255 HydrophobicContact CD1-CB 3.95Å; I117-L255 HydrophobicContact CD1-CD1 4.45Å; I117-L255 HydrophobicContact CD1-CD2 3.98Å; I117-L255 HydrophobicContact CD1-CG 4.34Å; L189-L255 HydrophobicContact CD2-CB 4.49Å; L189-L255 HydrophobicContact CD2-CD2 3.85Å; L189-L255 HydrophobicContact CD2-CG 4.24Å; L251-L255 PolarHBondContact O-N 2.94Å; F252-L255 WeakPolarHBondContact O-CB 3.46Å; F252-L255 PolarHBondContact O-N 3.41Å; L255-H257 VanDerWaalsContact C-N 3.28Å; L255-H257 PolarHBondContact O-N 3.14Å; L255-E258 PolarHBondContact O-N 3.03Å; L255-V259 HydrophobicContact CD1-CG2 3.82Å; L255-V259 HydrophobicContact CG-CG2 4.42Å; L255-V259 WeakPolarHBondContact O-CB 3.44Å; L255-V259 VanDerWaalsContact O-CG2 3.31Å; L255-V259 WeakPolarHBondContact O-CG2 3.2Å; L255-V259 PolarHBondContact O-N 2.8Å; L255-I270 HydrophobicContact CD1-CD1 4.32Å; L255-I270 HydrophobicContact CD2-CD1 3.96Å; L255-I270 HydrophobicContact CD2-CG2 4.41Å; L255-I270 HydrophobicContact CG-CD1 3.96Å; L255-L272 HydrophobicContact CD2-CD1 4.22Å; L255-L272 HydrophobicContact CD2-CD2 3.81Å; L255-I292 HydrophobicContact CD1-CD1 3.91Å; L255-I292 HydrophobicContact CD2-CD1 4.33Å
256A97.5Very high92.7Very high6 Ų661 Ų615%0.0531%0.305CS..Hα-helixtrans-55.1-45.8177.600000111.2L189 V191 F252 N253 R260L189-A256 HydrophobicContact CD2-CB 4.38Å; V191-A256 HydrophobicContact CG1-CB 4.2Å; V191-A256 HydrophobicContact CG2-CB 3.54Å; F252-A256 WeakPolarHBondContact O-CB 3.31Å; F252-A256 PolarHBondContact O-N 2.89Å; N253-A256 PolarHBondContact O-N 3.4Å; A256-R260 WeakPolarHBondContact O-CB 3.44Å; A256-R260 PolarHBondContact O-N 2.86Å
257H97.5Very high94.1Very high95 Ų9556.2 Ų56.244%0.4427%0.273SS..Hα-helixtrans-61-51.2178.1-178.277.7000112.8N253 K254 L255 V259 R260 K261N253-H257 WeakPolarHBondContact O-CB 3.45Å; N253-H257 PolarHBondContact O-N 2.82Å; K254-H257 PolarHBondContact O-N 3.27Å; L255-H257 VanDerWaalsContact C-N 3.28Å; L255-H257 PolarHBondContact O-N 3.14Å; H257-V259 PolarHBondContact O-N 3.34Å; H257-R260 PolarHBondContact O-N 3.31Å; H257-K261 WeakPolarHBondContact O-CB 3.43Å; H257-K261 PolarHBondContact O-N 2.81Å
258E98.1Very high95.1Very high48 Ų4853.6 Ų53.622%0.22426%0.263CS..Hα-helixtrans-66.2-37.8-177.6-71.3-55.2134.100112.4I107 K254 L255 K261 T262I107-E258 HydrophobicContact CG2-CB 3.89Å; K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 3.24Å; L255-E258 PolarHBondContact O-N 3.03Å; E258-K261 IonicContact OE1-NZ 3.41Å; E258-K261 IonicContact OE2-NZ 2.69Å; E258-T262 WeakPolarHBondContact O-CB 3.43Å; E258-T262 PolarHBondContact O-N 2.85Å; E258-T262 PolarHBondContact O-OG1 2.72Å
259V98.2Very high95.7Very high0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-66-49.2175.31750000110.7L104 I107 L255 H257 K261 T262 L263 F268 I270L104-V259 HydrophobicContact CD2-CG1 4.49Å; L104-V259 HydrophobicContact CD2-CG2 3.94Å; I107-V259 HydrophobicContact CD1-CG2 4.39Å; I107-V259 HydrophobicContact CG2-CG2 4.24Å; L255-V259 HydrophobicContact CD1-CG2 3.82Å; L255-V259 HydrophobicContact CG-CG2 4.42Å; L255-V259 WeakPolarHBondContact O-CB 3.44Å; L255-V259 VanDerWaalsContact O-CG2 3.31Å; L255-V259 WeakPolarHBondContact O-CG2 3.2Å; L255-V259 PolarHBondContact O-N 2.8Å; H257-V259 PolarHBondContact O-N 3.34Å; V259-K261 PolarHBondContact O-N 2.67Å; V259-T262 PolarHBondContact O-N 3.23Å; V259-L263 HydrophobicContact CG1-CD1 3.68Å; V259-L263 HydrophobicContact CG1-CG 4.18Å; V259-L263 VanDerWaalsContact O-CB 3.28Å; V259-L263 WeakPolarHBondContact O-CB 3.38Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 2.83Å; V259-F268 HydrophobicContact CB-CE2 4.01Å; V259-F268 HydrophobicContact CB-CZ 3.97Å; V259-F268 HydrophobicContact CG1-CD2 4.18Å; V259-F268 HydrophobicContact CG1-CE1 4.48Å; V259-F268 HydrophobicContact CG1-CE2 3.55Å; V259-F268 HydrophobicContact CG1-CZ 3.72Å; V259-I270 HydrophobicContact CB-CD1 4.33Å; V259-I270 HydrophobicContact CG1-CD1 4.3Å; V259-I270 HydrophobicContact CG2-CD1 3.85Å
260R97.1Very high96.2Very high63 Ų6342.9 Ų42.924%0.23821%0.21CC..Hα-helixtrans-58-49.3176.9170.7160.6-179.2-95.46.4112.1G193 D194 A256 H257 T262 K264 I265 D266 F268G193-R260 WeakPolarHBondContact O-CD 3.47Å; G193-R260 PolarHBondContact O-NE 2.97Å; D194-R260 IonicContact OD1-CZ 3.73Å; D194-R260 IonicContact OD1-NH1 2.86Å; D194-R260 PolarHBondContact OD1-NH1 3.48Å; D194-R260 IonicContact OD1-NH2 3.21Å; A256-R260 WeakPolarHBondContact O-CB 3.44Å; A256-R260 PolarHBondContact O-N 2.86Å; H257-R260 PolarHBondContact O-N 3.31Å; R260-T262 VanDerWaalsContact C-N 3.34Å; R260-T262 PolarHBondContact O-N 3.45Å; R260-K264 WeakPolarHBondContact O-CA 3.38Å; R260-K264 PolarHBondContact O-N 3Å; R260-I265 VanDerWaalsContact CG-O 3.26Å; R260-I265 WeakPolarHBondContact CG-O 3.23Å; R260-D266 IonicContact CZ-OD1 3.51Å; R260-D266 IonicContact NE-OD1 3.58Å; R260-D266 PolarHBondContact NE-OD1 3.15Å; R260-D266 IonicContact NH2-OD1 3.79Å; R260-D266 PolarHBondContact NH2-OD1 3.18Å; R260-F268 HydrophobicContact CB-CE1 4.05Å; R260-F268 HydrophobicContact CB-CZ 4.27Å
261K96.1Very high96.4Very high124 Ų12440.6 Ų40.654%0.53919%0.193SC..Hα-helixtrans-59.2-43.8-179.4174.4-175.8166.7-162.20112.1H257 E258 V259H257-K261 WeakPolarHBondContact O-CB 3.43Å; H257-K261 PolarHBondContact O-N 2.81Å; E258-K261 IonicContact OE1-NZ 3.41Å; E258-K261 IonicContact OE2-NZ 2.69Å; V259-K261 PolarHBondContact O-N 2.67Å
262T96.2Very high96.4Very high76 Ų7640.2 Ų40.247%0.46619%0.191SC..Hα-helixtrans-81.7-46.5-174.6-53.90000112.1I107 E258 V259 R260I107-T262 HydrophobicContact CD1-CG2 3.99Å; I107-T262 HydrophobicContact CG1-CG2 3.6Å; E258-T262 WeakPolarHBondContact O-CB 3.43Å; E258-T262 PolarHBondContact O-N 2.85Å; E258-T262 PolarHBondContact O-OG1 2.72Å; V259-T262 PolarHBondContact O-N 3.23Å; R260-T262 VanDerWaalsContact C-N 3.34Å; R260-T262 PolarHBondContact O-N 3.45Å
263L96.6Very high96.4Very high16 Ų1640.2 Ų40.28%0.08419%0.191CC..Hα-helixtrans-82-15.6-178.2-58.8-170.3000113.1S90 L94 I107 V259 I265 L295S90-L263 WeakPolarHBondContact CB-O 3.48Å; L94-L263 HydrophobicContact CD1-CB 4.42Å; L94-L263 HydrophobicContact CD1-CD1 4.07Å; L94-L263 HydrophobicContact CD2-CD1 3.99Å; L94-L263 HydrophobicContact CD2-CD2 4.15Å; I107-L263 HydrophobicContact CD1-CD1 4.39Å; I107-L263 HydrophobicContact CD1-CD2 3.85Å; I107-L263 HydrophobicContact CD1-CG 3.85Å; V259-L263 HydrophobicContact CG1-CD1 3.68Å; V259-L263 HydrophobicContact CG1-CG 4.18Å; V259-L263 VanDerWaalsContact O-CB 3.28Å; V259-L263 WeakPolarHBondContact O-CB 3.38Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 2.83Å; L263-I265 HydrophobicContact CB-CD1 4.06Å; L263-I265 HydrophobicContact CB-CG1 3.89Å; L263-I265 HydrophobicContact CD1-CD1 4Å; L263-L295 HydrophobicContact CD1-CD2 3.83Å
264K95.8Very high96.3Very high153 Ų15338.6 Ų38.667%0.66519%0.185SC*.THydrogen-bonded Turntrans54.152.7-177.9-57.1179.4-178.2178.90111.7S90 R260S90-K264 WeakPolarHBondContact CB-O 3.49Å; S90-K264 PolarHBondContact OG-O 3.49Å; R260-K264 WeakPolarHBondContact O-CA 3.38Å; R260-K264 PolarHBondContact O-N 3Å
265I96.3Very high96.1Very high0 Ų033.8 Ų33.80%017%0.166CC..  trans-129.9142175.259.5176.7000109.2D86 L91 L94 R260 L263 F268 I297D86-I265 HydrophobicContact CB-CG2 4.36Å; D86-I265 WeakPolarHBondContact OD1-CA 3.11Å; D86-I265 VanDerWaalsContact OD1-CB 3.32Å; D86-I265 WeakPolarHBondContact OD1-CB 3.06Å; L91-I265 HydrophobicContact CD2-CG2 3.74Å; L94-I265 HydrophobicContact CD1-CD1 3.89Å; L94-I265 HydrophobicContact CD1-CG2 4.1Å; R260-I265 VanDerWaalsContact CG-O 3.26Å; R260-I265 WeakPolarHBondContact CG-O 3.23Å; L263-I265 HydrophobicContact CB-CD1 4.06Å; L263-I265 HydrophobicContact CB-CG1 3.89Å; L263-I265 HydrophobicContact CD1-CD1 4Å; I265-F268 HydrophobicContact CB-CD1 4.4Å; I265-F268 HydrophobicContact CD1-CB 3.84Å; I265-F268 HydrophobicContact CD1-CD1 3.69Å; I265-F268 HydrophobicContact CD1-CE1 4.37Å; I265-F268 HydrophobicContact CD1-CG 3.76Å; I265-F268 HydrophobicContact CG1-CD1 3.57Å; I265-F268 HydrophobicContact CG1-CE1 3.97Å; I265-F268 HydrophobicContact CG1-CG 4.19Å; I265-I297 HydrophobicContact CD1-CD1 3.71Å
266D95.2Very high95.5Very high38 Ų3835.2 Ų35.220%0.20317%0.174CC..SBendtrans-108.1-25.1-177-66.7-71000112.8I85 D86 V192 G193 R260I85-D266 HydrophobicContact CG2-CB 4.33Å; D86-D266 PolarHBondContact OD1-N 3.14Å; V192-D266 CarbonylContact C-O 3.53Å; V192-D266 VanDerWaalsContact CA-O 3.29Å; V192-D266 WeakPolarHBondContact CA-O 3.22Å; G193-D266 PolarHBondContact N-O 3.37Å; R260-D266 IonicContact CZ-OD1 3.51Å; R260-D266 IonicContact NE-OD1 3.58Å; R260-D266 PolarHBondContact NE-OD1 3.15Å; R260-D266 IonicContact NH2-OD1 3.79Å; R260-D266 PolarHBondContact NH2-OD1 3.18Å
267L95Very high94.2Very high20 Ų2042.1 Ų42.111%0.10521%0.205CC..EExtended strand (participates in β ladder)trans-119.793.9-177.8-63178.5000112.1L50 I85 D86 V192 F298L50-L267 HydrophobicContact CD1-CD1 3.51Å; I85-L267 HydrophobicContact CG2-CD1 3.54Å; I85-L267 HydrophobicContact CG2-CG 3.73Å; D86-L267 PolarHBondContact OD1-N 3.38Å; D86-L267 WeakPolarHBondContact OD2-CB 3.33Å; V192-L267 HydrophobicContact CB-CD2 4.08Å; V192-L267 HydrophobicContact CG1-CD2 3.73Å; V192-L267 HydrophobicContact CG2-CD2 3.83Å; L267-F298 HydrophobicContact CD1-CD2 4.06Å; L267-F298 HydrophobicContact CD1-CE2 3.91Å; L267-F298 HydrophobicContact CD1-CG 4.5Å; L267-F298 HydrophobicContact CD1-CZ 4.21Å; L267-F298 WeakPolarHBondContact O-CA 3.25Å; L267-F298 PolarHBondContact O-N 3.3Å
268F95.9Very high92.6Very high0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-149.1164179.764.6-82.9000112.5V191 V259 R260 I265 I270 L295 N296 I297V191-F268 HydrophobicContact CB-CD1 4.07Å; V191-F268 HydrophobicContact CB-CD2 4.28Å; V191-F268 HydrophobicContact CB-CE1 3.74Å; V191-F268 HydrophobicContact CB-CE2 3.94Å; V191-F268 HydrophobicContact CB-CG 4.35Å; V191-F268 HydrophobicContact CB-CZ 3.67Å; V191-F268 HydrophobicContact CG1-CD1 4.29Å; V191-F268 HydrophobicContact CG1-CE1 3.58Å; V191-F268 HydrophobicContact CG1-CE2 4.44Å; V191-F268 HydrophobicContact CG1-CZ 3.68Å; V191-F268 HydrophobicContact CG2-CD2 4.2Å; V191-F268 HydrophobicContact CG2-CE1 4.24Å; V191-F268 HydrophobicContact CG2-CE2 3.6Å; V191-F268 HydrophobicContact CG2-CZ 3.64Å; V191-F268 PolarHBondContact N-O 3.06Å; V191-F268 PolarHBondContact O-N 2.72Å; V259-F268 HydrophobicContact CB-CE2 4.01Å; V259-F268 HydrophobicContact CB-CZ 3.97Å; V259-F268 HydrophobicContact CG1-CD2 4.18Å; V259-F268 HydrophobicContact CG1-CE1 4.48Å; V259-F268 HydrophobicContact CG1-CE2 3.55Å; V259-F268 HydrophobicContact CG1-CZ 3.72Å; R260-F268 HydrophobicContact CB-CE1 4.05Å; R260-F268 HydrophobicContact CB-CZ 4.27Å; I265-F268 HydrophobicContact CB-CD1 4.4Å; I265-F268 HydrophobicContact CD1-CB 3.84Å; I265-F268 HydrophobicContact CD1-CD1 3.69Å; I265-F268 HydrophobicContact CD1-CE1 4.37Å; I265-F268 HydrophobicContact CD1-CG 3.76Å; I265-F268 HydrophobicContact CG1-CD1 3.57Å; I265-F268 HydrophobicContact CG1-CE1 3.97Å; I265-F268 HydrophobicContact CG1-CG 4.19Å; F268-I270 HydrophobicContact CD2-CD1 4.29Å; F268-I270 HydrophobicContact CD2-CG1 3.91Å; F268-I270 HydrophobicContact CE2-CD1 3.81Å; F268-I270 HydrophobicContact CE2-CG1 3.93Å; F268-L295 HydrophobicContact CB-CD1 4.17Å; F268-L295 HydrophobicContact CD2-CD1 3.79Å; F268-L295 HydrophobicContact CG-CD1 4.32Å; F268-N296 CarbonylContact C-O 3.58Å; F268-N296 VanDerWaalsContact CA-O 3.26Å; F268-N296 WeakPolarHBondContact CA-O 3.31Å; F268-I297 HydrophobicContact CB-CD1 4.32Å
269G95.6Very high90.8Very high1 Ų144.5 Ų44.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-126.8144.4171.300000110.7L189 N296L189-G269 CarbonylContact O-C 3.58Å; L189-G269 WeakPolarHBondContact O-CA 3.19Å; G269-N296 PolarHBondContact N-O 2.78Å; G269-N296 PolarHBondContact O-N 2.79Å
270I97.2Very high89Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-117.9125.7174.3-57.2-179000108L189 L255 V259 F268 L272 I292 L295L189-I270 HydrophobicContact CB-CB 4.32Å; L189-I270 HydrophobicContact CD2-CD1 4.43Å; L189-I270 PolarHBondContact N-O 2.9Å; L189-I270 PolarHBondContact O-N 2.94Å; L255-I270 HydrophobicContact CD1-CD1 4.32Å; L255-I270 HydrophobicContact CD2-CD1 3.96Å; L255-I270 HydrophobicContact CD2-CG2 4.41Å; L255-I270 HydrophobicContact CG-CD1 3.96Å; V259-I270 HydrophobicContact CB-CD1 4.33Å; V259-I270 HydrophobicContact CG1-CD1 4.3Å; V259-I270 HydrophobicContact CG2-CD1 3.85Å; F268-I270 HydrophobicContact CD2-CD1 4.29Å; F268-I270 HydrophobicContact CD2-CG1 3.91Å; F268-I270 HydrophobicContact CE2-CD1 3.81Å; F268-I270 HydrophobicContact CE2-CG1 3.93Å; I270-L272 HydrophobicContact CB-CD1 4.16Å; I270-L272 HydrophobicContact CG2-CD1 3.77Å; I270-L272 HydrophobicContact CG2-CG 3.91Å; I270-I292 HydrophobicContact CG2-CB 4.35Å; I270-I292 HydrophobicContact CG2-CD1 4.41Å; I270-I292 HydrophobicContact CG2-CG1 4.04Å; I270-I292 HydrophobicContact CG2-CG2 3.59Å; I270-L295 HydrophobicContact CG1-CD1 3.98Å
271D95.8Very high87.2Confident18 Ų1848.4 Ų48.410%0.09626%0.26CS..EExtended strand (participates in β ladder)trans-92.4120.6173-65.1-6.6000108V186 L187 K188 I293 D294 N296V186-D271 HydrophobicContact CG1-CB 4.06Å; L187-D271 CarbonylContact O-C 3.58Å; L187-D271 WeakPolarHBondContact O-CA 3.37Å; K188-D271 IonicContact NZ-OD1 3.52Å; D271-I293 HydrophobicContact CB-CD1 4.43Å; D271-I293 HydrophobicContact CB-CG1 3.96Å; D271-I293 VanDerWaalsContact O-CG1 3.25Å; D271-I293 WeakPolarHBondContact O-CG1 3.37Å; D271-I293 PolarHBondContact O-N 2.78Å; D271-D294 HydrophobicContact CB-CB 3.96Å; D271-D294 PolarHBondContact N-O 2.61Å; D271-D294 PolarHBondContact O-N 2.66Å; D271-N296 PolarHBondContact OD1-ND2 2.87Å; D271-N296 PolarHBondContact OD2-ND2 2.89Å
272L96.2Very high85.2Confident0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-117.7153.9178.5-58.6106.3000111.5I117 V186 L187 L189 F252 L255 I270 A291 I292I117-L272 HydrophobicContact CG2-CD2 4.45Å; V186-L272 CarbonylContact C-O 3.54Å; V186-L272 WeakPolarHBondContact CA-O 3.04Å; L187-L272 HydrophobicContact CB-CB 4.29Å; L187-L272 PolarHBondContact N-O 2.87Å; L187-L272 PolarHBondContact O-N 3.07Å; L189-L272 HydrophobicContact CB-CD1 3.92Å; F252-L272 HydrophobicContact CD1-CD1 4.37Å; F252-L272 HydrophobicContact CE1-CD1 4.25Å; F252-L272 HydrophobicContact CE1-CD2 4.18Å; L255-L272 HydrophobicContact CD2-CD1 4.22Å; L255-L272 HydrophobicContact CD2-CD2 3.81Å; I270-L272 HydrophobicContact CB-CD1 4.16Å; I270-L272 HydrophobicContact CG2-CD1 3.77Å; I270-L272 HydrophobicContact CG2-CG 3.91Å; L272-A291 CarbonylContact C-O 3.56Å; L272-A291 VanDerWaalsContact CA-O 3.25Å; L272-A291 WeakPolarHBondContact CA-O 3.2Å; L272-I292 HydrophobicContact CD2-CG1 3.79Å; L272-I292 HydrophobicContact CG-CG1 4.29Å
273I94.5Very high83Confident4 Ų449.4 Ų49.42%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-129142.4170.854.6175000110.1I180 H182 V186 A275 Y290 A291 I293I180-I273 HydrophobicContact CB-CD1 3.81Å; I180-I273 HydrophobicContact CG2-CD1 4.26Å; H182-I273 HydrophobicContact CB-CB 3.64Å; H182-I273 HydrophobicContact CB-CD1 4Å; H182-I273 HydrophobicContact CB-CG1 4.19Å; H182-I273 HydrophobicContact CB-CG2 4.28Å; V186-I273 HydrophobicContact CB-CG2 4.39Å; V186-I273 HydrophobicContact CG2-CG2 3.5Å; I273-A275 PolarHBondContact O-N 3.44Å; I273-Y290 CarbonylContact O-C 3.54Å; I273-Y290 VanDerWaalsContact O-CA 3.3Å; I273-Y290 WeakPolarHBondContact O-CA 3.32Å; I273-A291 HydrophobicContact CD1-CB 4.34Å; I273-A291 HydrophobicContact CG1-CB 3.79Å; I273-A291 PolarHBondContact N-O 2.78Å; I273-A291 PolarHBondContact O-N 3.28Å; I273-I293 HydrophobicContact CD1-CG2 3.59Å; I273-I293 HydrophobicContact CG1-CG2 3.73Å; I273-I293 HydrophobicContact CG2-CD1 3.72Å; I273-I293 HydrophobicContact CG2-CG1 4.3Å
274C92.8Very high80.9Confident38 Ų3856.9 Ų56.926%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-82111.2173.6-170.70000109H182 Y290H182-C274 WeakPolarHBondContact CA-O 3.35Å; H182-C274 VanDerWaalsContact CB-O 3.22Å; H182-C274 WeakPolarHBondContact CB-O 3.06Å; C274-Y290 HydrophobicContact CB-CD1 4.1Å; C274-Y290 HydrophobicContact CB-CE1 3.98Å
275A92.1Very high78.8Confident10 Ų1051.7 Ų51.78%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-70.1137.5-178.800000111F118 I180 I273 I280 K289F118-A275 HydrophobicContact CE1-CB 4.1Å; F118-A275 HydrophobicContact CZ-CB 4.15Å; I180-A275 HydrophobicContact CG2-CB 3.56Å; I273-A275 PolarHBondContact O-N 3.44Å; A275-I280 HydrophobicContact CB-CD1 3.52Å; A275-I280 HydrophobicContact CB-CG1 4.06Å; A275-K289 WeakPolarHBondContact CB-O 3.43Å; A275-K289 PolarHBondContact N-O 3.47Å
276T86.9Confident77.1Confident29 Ų2961.5 Ų61.518%0.17834%0.338CS..  trans-72.2148.1172.261.40000111.1K181 N183 N278 S279K181-T276 HydrophobicContact CB-CG2 4.39Å; K181-T276 PolarHBondContact O-N 2.82Å; K181-T276 PolarHBondContact O-OG1 2.82Å; N183-T276 VanDerWaalsContact OD1-CG2 3.28Å; N183-T276 WeakPolarHBondContact OD1-CG2 3.45Å; T276-N278 PolarHBondContact O-N 3.24Å; T276-N278 VanDerWaalsContact O-N 3.07Å; T276-S279 WeakPolarHBondContact O-CB 3.48Å; T276-S279 PolarHBondContact O-N 2.87Å; T276-S279 PolarHBondContact OG1-OG 2.75Å
277E69.7Low76Confident151 Ų15162.3 Ų62.371%0.70635%0.347SS*.G310 helixtrans-50.9-37.8-176.4-64.9-173.7166.700113.1S279E277-S279 VanDerWaalsContact C-N 3.26Å; E277-S279 PolarHBondContact O-N 3.23Å
278N64Low75.4Confident155 Ų15565.7 Ų65.783%0.82937%0.365SS*.G310 helixtrans-74.6-9.6-179-65.3-19.6000114.5T276T276-N278 PolarHBondContact O-N 3.24Å; T276-N278 VanDerWaalsContact O-N 3.07Å
279S59.9Low75.2Confident39 Ų3967.3 Ų67.327%0.27337%0.372SS..G310 helixtrans-89.4-12.3-176.1-60.40000113.6K181 T276 E277K181-S279 WeakPolarHBondContact CB-OG 3.36Å; K181-S279 PolarHBondContact N-OG 2.87Å; T276-S279 WeakPolarHBondContact O-CB 3.48Å; T276-S279 PolarHBondContact O-N 2.87Å; T276-S279 PolarHBondContact OG1-OG 2.75Å; E277-S279 VanDerWaalsContact C-N 3.26Å; E277-S279 PolarHBondContact O-N 3.23Å
280I60.8Low75.2Confident31 Ų3167.9 Ų67.916%0.15937%0.374CS..SBendtrans-121128.8-175-54177.8000107.7F118 A275 D282 K289F118-I280 HydrophobicContact CD1-CD1 4.37Å; F118-I280 HydrophobicContact CE1-CD1 3.56Å; F118-I280 HydrophobicContact CE1-CG1 4.49Å; F118-I280 HydrophobicContact CZ-CD1 3.79Å; F118-I280 HydrophobicContact CZ-CG1 4.24Å; A275-I280 HydrophobicContact CB-CD1 3.52Å; A275-I280 HydrophobicContact CB-CG1 4.06Å; I280-D282 HydrophobicContact CG2-CB 4.13Å; I280-D282 PolarHBondContact O-N 3.04Å; I280-D282 VanDerWaalsContact O-N 3.17Å; I280-K289 HydrophobicContact CD1-CB 3.46Å; I280-K289 VanDerWaalsContact CD1-CB 3.46Å; I280-K289 HydrophobicContact CD1-CD 3.49Å; I280-K289 VanDerWaalsContact CD1-CD 3.49Å; I280-K289 HydrophobicContact CD1-CG 4.07Å; I280-K289 HydrophobicContact CG2-CD 4.17Å
281S58Low75.2Confident114 Ų11467.9 Ų67.980%0.79737%0.374SS*.SBendtrans-64.7-17.1179.9500000113.8T283S281-T283 PolarHBondContact O-N 3.39Å
282D54.8Low75.3Confident106 Ų10667 Ų6757%0.56737%0.369SS*.  trans-89.275177.1-70.6-16.8000111I280 L284 K289I280-D282 HydrophobicContact CG2-CB 4.13Å; I280-D282 PolarHBondContact O-N 3.04Å; I280-D282 VanDerWaalsContact O-N 3.17Å; D282-L284 PolarHBondContact O-N 3.3Å; D282-L284 VanDerWaalsContact O-N 3.15Å; D282-K289 IonicContact OD2-NZ 3.62Å
283T50.1Low75.3Confident114 Ų11468.5 Ų68.570%0.69938%0.377SS*.THydrogen-bonded Turntrans-70.33.5179.433.20000115S281S281-T283 PolarHBondContact O-N 3.39Å
284L51.5Low75.4Confident173 Ų17368.7 Ų68.791%0.90638%0.378SS*.THydrogen-bonded Turntrans-85.6-13.2-175.1-68.1172.7000114.2D282D282-L284 PolarHBondContact O-N 3.3Å; D282-L284 VanDerWaalsContact O-N 3.15Å
285S53.4Low75.6Confident45 Ų4567 Ų6732%0.31537%0.366SS..  trans-93.6120.6177.7-165.30000111.4S287S285-S287 PolarHBondContact O-N 3.07Å; S285-S287 PolarHBondContact OG-N 3.04Å; S285-S287 PolarHBondContact OG-OG 3.3Å
286K60.2Low75.6Confident206 Ų20668 Ų6890%0.89637%0.37SS*.  trans-73.2-7.2166.1-70.8-176.3177.6-179.70112.9
287S70.9Confident75.9Confident55 Ų5566.9 Ų66.939%0.38536%0.363SS..SBendtrans-84.4147.4179.6700000111.5S285 K289S285-S287 PolarHBondContact O-N 3.07Å; S285-S287 PolarHBondContact OG-N 3.04Å; S285-S287 PolarHBondContact OG-OG 3.3Å; S287-K289 PolarHBondContact O-N 3.14Å
288N83Confident76.7Confident91 Ų9160.1 Ų60.149%0.48733%0.331SS..  trans-55.2131.4169.3-69.5-18.4000109.8Y290N288-Y290 HydrophobicContact CB-CE2 3.97Å
289K91.3Very high77.3Confident33 Ų3353.3 Ų53.314%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-106.4123.5171.6-76.9-170.4171.1-1780110N115 E116 F118 A275 I280 D282 S287N115-K289 WeakPolarHBondContact O-CE 3.45Å; E116-K289 CarbonylContact O-C 3.4Å; E116-K289 WeakPolarHBondContact O-CA 3.25Å; F118-K289 HydrophobicContact CD1-CB 4.32Å; F118-K289 HydrophobicContact CE1-CB 4.11Å; A275-K289 WeakPolarHBondContact CB-O 3.43Å; A275-K289 PolarHBondContact N-O 3.47Å; I280-K289 HydrophobicContact CD1-CB 3.46Å; I280-K289 VanDerWaalsContact CD1-CB 3.46Å; I280-K289 HydrophobicContact CD1-CD 3.49Å; I280-K289 VanDerWaalsContact CD1-CD 3.49Å; I280-K289 HydrophobicContact CD1-CG 4.07Å; I280-K289 HydrophobicContact CG2-CD 4.17Å; D282-K289 IonicContact OD2-NZ 3.62Å; S287-K289 PolarHBondContact O-N 3.14Å
290Y95.3Very high77.5Confident14 Ų1455.9 Ų55.96%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-99.9129.6-179.4-58.4-82.4000110.8E116 I117 F118 L187 L251 F252 I273 C274 N288E116-Y290 PolarHBondContact O-N 3.31Å; I117-Y290 CarbonylContact C-O 3.47Å; I117-Y290 VanDerWaalsContact CA-O 3.29Å; I117-Y290 WeakPolarHBondContact CA-O 3.43Å; F118-Y290 VanDerWaalsContact CD1-O 3.26Å; F118-Y290 WeakPolarHBondContact CD1-O 3.46Å; F118-Y290 PolarHBondContact N-O 3.38Å; L187-Y290 HydrophobicContact CD1-CD1 3.84Å; L187-Y290 HydrophobicContact CD1-CE1 3.63Å; L251-Y290 HydrophobicContact CD2-CD2 3.87Å; L251-Y290 HydrophobicContact CD2-CE2 3.85Å; F252-Y290 HydrophobicContact CE1-CG 4.39Å; F252-Y290 HydrophobicContact CZ-CD1 4.07Å; F252-Y290 HydrophobicContact CZ-CD2 4.13Å; F252-Y290 AromaticContact CZ-CE1 3.94Å; F252-Y290 HydrophobicContact CZ-CE1 3.94Å; F252-Y290 AromaticContact CZ-CE2 3.98Å; F252-Y290 HydrophobicContact CZ-CE2 3.98Å; F252-Y290 HydrophobicContact CZ-CG 4.16Å; F252-Y290 AromaticContact CZ-CZ 3.88Å; I273-Y290 CarbonylContact O-C 3.54Å; I273-Y290 VanDerWaalsContact O-CA 3.3Å; I273-Y290 WeakPolarHBondContact O-CA 3.32Å; C274-Y290 HydrophobicContact CB-CD1 4.1Å; C274-Y290 HydrophobicContact CB-CE1 3.98Å; N288-Y290 HydrophobicContact CB-CE2 3.97Å
291A97.4Very high77.2Confident0 Ų058 Ų580%031%0.314CS..EExtended strand (participates in β ladder)trans-101127.2176.300000109.8F118 P120 I180 L272 I273F118-A291 HydrophobicContact CD1-CB 4.29Å; F118-A291 HydrophobicContact CD2-CB 4.45Å; F118-A291 HydrophobicContact CE1-CB 3.61Å; F118-A291 HydrophobicContact CE2-CB 3.82Å; F118-A291 HydrophobicContact CZ-CB 3.36Å; F118-A291 WeakPolarHBondContact O-CA 3.46Å; P120-A291 HydrophobicContact CG-CB 3.83Å; I180-A291 HydrophobicContact CG1-CB 4.42Å; L272-A291 CarbonylContact C-O 3.56Å; L272-A291 VanDerWaalsContact CA-O 3.25Å; L272-A291 WeakPolarHBondContact CA-O 3.2Å; I273-A291 HydrophobicContact CD1-CB 4.34Å; I273-A291 HydrophobicContact CG1-CB 3.79Å; I273-A291 PolarHBondContact N-O 2.78Å; I273-A291 PolarHBondContact O-N 3.28Å
292I98.5Very high76.5Confident0 Ų059.7 Ų59.70%031%0.313CS..EExtended strand (participates in β ladder)trans-76.7123.5170.9-60.9172.5000108.7F101 L104 I108 I117 F118 P120 L255 I270 L272F101-I292 HydrophobicContact CE1-CG2 4.48Å; L104-I292 HydrophobicContact CD1-CG2 3.88Å; L104-I292 HydrophobicContact CD2-CD1 4.3Å; I108-I292 HydrophobicContact CD1-CD1 4.09Å; I108-I292 HydrophobicContact CG1-CD1 4.16Å; I117-I292 HydrophobicContact CG2-CD1 3.8Å; I117-I292 HydrophobicContact CG2-CG1 3.86Å; F118-I292 PolarHBondContact O-N 3.09Å; P120-I292 WeakPolarHBondContact CD-O 3.46Å; L255-I292 HydrophobicContact CD1-CD1 3.91Å; L255-I292 HydrophobicContact CD2-CD1 4.33Å; I270-I292 HydrophobicContact CG2-CB 4.35Å; I270-I292 HydrophobicContact CG2-CD1 4.41Å; I270-I292 HydrophobicContact CG2-CG1 4.04Å; I270-I292 HydrophobicContact CG2-CG2 3.59Å; L272-I292 HydrophobicContact CD2-CG1 3.79Å; L272-I292 HydrophobicContact CG-CG1 4.29Å
293I97.1Very high77.5Confident30 Ų3057.4 Ų57.415%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-119.2-13.5-176.259.5156.7000114.4F101 P120 K145 V186 D271 I273F101-I293 WeakPolarHBondContact CZ-O 3.45Å; P120-I293 HydrophobicContact CG-CG2 4.37Å; K145-I293 PolarHBondContact NZ-O 2.71Å; V186-I293 HydrophobicContact CG2-CD1 3.98Å; D271-I293 HydrophobicContact CB-CD1 4.43Å; D271-I293 HydrophobicContact CB-CG1 3.96Å; D271-I293 VanDerWaalsContact O-CG1 3.25Å; D271-I293 WeakPolarHBondContact O-CG1 3.37Å; D271-I293 PolarHBondContact O-N 2.78Å; I273-I293 HydrophobicContact CD1-CG2 3.59Å; I273-I293 HydrophobicContact CG1-CG2 3.73Å; I273-I293 HydrophobicContact CG2-CD1 3.72Å; I273-I293 HydrophobicContact CG2-CG1 4.3Å
294D96.3Very high79Confident9 Ų954.4 Ų54.45%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-155.9156.7168.2-131.7-20.4000112.2R97 K145 D271R97-D294 IonicContact NE-OD1 4Å; R97-D294 IonicContact NH2-OD1 2.65Å; R97-D294 IonicContact NH2-OD2 3.87Å; K145-D294 IonicContact NZ-OD2 2.67Å; K145-D294 PolarHBondContact NZ-OD2 3.11Å; D271-D294 HydrophobicContact CB-CB 3.96Å; D271-D294 PolarHBondContact N-O 2.61Å; D271-D294 PolarHBondContact O-N 2.66Å
295L96.3Very high80.5Confident1 Ų147.8 Ų47.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-126.5113.6170175.365.4000109L94 Q100 L104 L263 F268 I270L94-L295 HydrophobicContact CD2-CD2 4.49Å; Q100-L295 HydrophobicContact CB-CD2 4.26Å; Q100-L295 HydrophobicContact CG-CD2 4.13Å; Q100-L295 PolarHBondContact NE2-O 3.16Å; Q100-L295 PolarHBondContact OE1-O 2.81Å; L104-L295 HydrophobicContact CD1-CB 4.13Å; L104-L295 HydrophobicContact CD1-CD2 4.44Å; L263-L295 HydrophobicContact CD1-CD2 3.83Å; F268-L295 HydrophobicContact CB-CD1 4.17Å; F268-L295 HydrophobicContact CD2-CD1 3.79Å; F268-L295 HydrophobicContact CG-CD1 4.32Å; I270-L295 HydrophobicContact CG1-CD1 3.98Å
296N93.3Very high82.1Confident32 Ų3247.9 Ų47.917%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-104.8116.7-175.9-69.3-55.6000110F268 G269 D271F268-N296 CarbonylContact C-O 3.58Å; F268-N296 VanDerWaalsContact CA-O 3.26Å; F268-N296 WeakPolarHBondContact CA-O 3.31Å; G269-N296 PolarHBondContact N-O 2.78Å; G269-N296 PolarHBondContact O-N 2.79Å; D271-N296 PolarHBondContact OD1-ND2 2.87Å; D271-N296 PolarHBondContact OD2-ND2 2.89Å
297I91.3Very high83.5Confident5 Ų538.1 Ų38.13%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-78.9129.5173.1-59.4-57.5000109.7K52 L91 L94 H150 I265 F268K52-I297 WeakPolarHBondContact CE-O 3.38Å; K52-I297 PolarHBondContact NZ-O 3Å; L91-I297 HydrophobicContact CD1-CG2 4.17Å; L91-I297 HydrophobicContact CD2-CD1 3.97Å; L91-I297 HydrophobicContact CD2-CG1 4.15Å; L91-I297 HydrophobicContact CD2-CG2 3.75Å; L94-I297 HydrophobicContact CD1-CD1 3.93Å; H150-I297 WeakPolarHBondContact NE2-CG1 3.39Å; I265-I297 HydrophobicContact CD1-CD1 3.71Å; F268-I297 HydrophobicContact CB-CD1 4.32Å
298F87.1Confident84.3Confident10 Ų1036.9 Ų36.94%0.04419%0.187CC..SBendtrans51.466.1179.5-158.8-36.4000112M8 K12 I16 L50 H51 K52 L267M8-F298 HydrophobicContact CE-CE2 3.82Å; M8-F298 HydrophobicContact CE-CZ 3.9Å; M8-F298 HydrophobicContact SD-CZ 4.45Å; K12-F298 PolarHBondContact NZ-O 3.07Å; K12-F298 VanDerWaalsContact NZ-O 3.16Å; I16-F298 HydrophobicContact CD1-CE1 3.68Å; I16-F298 HydrophobicContact CD1-CZ 3.71Å; I16-F298 HydrophobicContact CG2-CE1 4.4Å; L50-F298 HydrophobicContact CD1-CE2 3.54Å; L50-F298 HydrophobicContact CD1-CZ 3.98Å; L50-F298 HydrophobicContact CD2-CE2 4.46Å; L50-F298 HydrophobicContact CD2-CZ 4.23Å; L50-F298 HydrophobicContact CG-CE2 3.91Å; L50-F298 HydrophobicContact CG-CZ 4.19Å; H51-F298 WeakPolarHBondContact O-CD2 3.49Å; K52-F298 HydrophobicContact CB-CD2 4Å; K52-F298 HydrophobicContact CB-CE2 4.42Å; K52-F298 HydrophobicContact CB-CG 4.43Å; K52-F298 HydrophobicContact CD-CB 3.84Å; K52-F298 HydrophobicContact CD-CD1 4.5Å; K52-F298 HydrophobicContact CD-CD2 4.44Å; K52-F298 HydrophobicContact CD-CG 4.02Å; K52-F298 HydrophobicContact CG-CB 4.31Å; K52-F298 HydrophobicContact CG-CD2 4.47Å; K52-F298 HydrophobicContact CG-CG 4.48Å; K52-F298 PolarHBondContact NZ-O 3.17Å; L267-F298 HydrophobicContact CD1-CD2 4.06Å; L267-F298 HydrophobicContact CD1-CE2 3.91Å; L267-F298 HydrophobicContact CD1-CG 4.5Å; L267-F298 HydrophobicContact CD1-CZ 4.21Å; L267-F298 WeakPolarHBondContact O-CA 3.25Å; L267-F298 PolarHBondContact O-N 3.3Å
299P77.3Confident84.4Confident11 Ų1133.1 Ų33.17%0.07117%0.165CC..  trans-56.8157.1178.524.5-33000111.9K12 F190 I302K12-P299 PolarHBondContact NZ-O 3.24Å; K12-P299 VanDerWaalsContact NZ-O 3.16Å; F190-P299 HydrophobicContact CD1-CB 3.81Å; F190-P299 HydrophobicContact CD1-CG 3.72Å; F190-P299 HydrophobicContact CE1-CB 3.83Å; F190-P299 HydrophobicContact CE1-CG 4.28Å; P299-I302 HydrophobicContact CG-CD1 4.47Å
300I64.5Low83.9Confident93 Ų9333.1 Ų33.148%0.47717%0.167SC..SBendtrans-87.4-27.7-179.2-63.3162.6000111.2K12 I302K12-I300 HydrophobicContact CD-CG1 4.25Å; I300-I302 PolarHBondContact O-N 3.42Å
301E54.5Low82.9Confident76 Ų7634.7 Ų34.736%0.35518%0.176SC..  trans-86.735.5-161.5-64.8154.9168.300113.6K188 F190K188-E301 WeakPolarHBondContact CE-OE2 3.34Å; K188-E301 IonicContact NZ-OE1 2.73Å; K188-E301 IonicContact NZ-OE2 2.7Å; K188-E301 PolarHBondContact NZ-OE2 3.3Å; F190-E301 HydrophobicContact CE1-CB 3.76Å; F190-E301 HydrophobicContact CE2-CB 4.42Å; F190-E301 HydrophobicContact CZ-CB 3.53Å; F190-E301 WeakPolarHBondContact CZ-OE2 3.28Å
302I41.7Very low81.6Confident149 Ų14937.8 Ų37.876%0.76419%0.192SC*.  trans-93.10175.1-52.5166.4000109.6V192 P299 I300V192-I302 HydrophobicContact CG2-CD1 3.64Å; V192-I302 HydrophobicContact CG2-CG2 4.45Å; P299-I302 HydrophobicContact CG-CD1 4.47Å; I300-I302 PolarHBondContact O-N 3.42Å

Retrieved 302 of 302 residues in 110.7 ms (Link to these results)

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