A0A077Z073_TRITR Loading...

Aldose 1-epimerase

AlphaFold DB , UniProt , Accession A0A077Z073, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M49.5Very low79.9Confident111 Ų11180.6 Ų80.655%0.54737%0.367SS..  0105.90-174.4172.8-157.300106.2F3 Y135 R168M1-F3 PolarHBondContact O-N 3.1Å; M1-Y135 HydrophobicContact CE-CD1 3.17Å; M1-Y135 HydrophobicContact CE-CD2 4.01Å; M1-Y135 HydrophobicContact CE-CE1 3.64Å; M1-Y135 HydrophobicContact CE-CE2 4.36Å; M1-Y135 HydrophobicContact CE-CG 3.39Å; M1-Y135 HydrophobicContact CG-CD1 4.49Å; M1-Y135 HydrophobicContact SD-CD1 4Å; M1-Y135 HydrophobicContact SD-CE1 4.19Å; M1-R168 VanDerWaalsContact CG-NH1 3.3Å; M1-R168 PolarHBondContact SD-NH1 3.32Å; M1-R168 VanDerWaalsContact SD-NH1 3.42Å; M1-R168 PolarHBondContact SD-NH2 3.27Å
2E59.1Low80.7Confident116 Ų11674 Ų7454%0.54234%0.337SS..  trans-71.6115.2167.1-73.8-172.2-17900107.2R136E2-R136 PolarHBondContact O-N 2.78Å; E2-R136 IonicContact OE2-CZ 2.87Å; E2-R136 IonicContact OE2-NH1 3.82Å; E2-R136 PolarHBondContact OE2-NH1 3.41Å
3F69.5Low81.2Confident118 Ų11877.8 Ų77.852%0.51836%0.355SS..EExtended strand (participates in β ladder)trans-114.1148166.366.7-87.3000108.4M1 E5 T133 I134 Y135M1-F3 PolarHBondContact O-N 3.1Å; F3-E5 HydrophobicContact CD2-CB 4.46Å; F3-E5 HydrophobicContact CE2-CB 4.44Å; F3-T133 HydrophobicContact CB-CG2 4.32Å; F3-T133 HydrophobicContact CD2-CG2 4.08Å; F3-T133 HydrophobicContact CG-CG2 4.47Å; F3-I134 CarbonylContact C-O 3.51Å; F3-I134 WeakPolarHBondContact CA-O 3.1Å; F3-I134 WeakPolarHBondContact CB-O 3.36Å; F3-Y135 HydrophobicContact CB-CD1 4.01Å; F3-Y135 HydrophobicContact CB-CE1 4.35Å
4A75Confident81.6Confident15 Ų1579.6 Ų79.612%0.12436%0.364CS..EExtended strand (participates in β ladder)trans-107132.9165.900000107.3T36 I134A4-T36 HydrophobicContact CB-CG2 4.17Å; A4-I134 HydrophobicContact CB-CB 4.3Å; A4-I134 PolarHBondContact N-O 3.16Å; A4-I134 PolarHBondContact O-N 2.83Å
5E82.3Confident81.8Confident85 Ų8575.3 Ų75.340%0.39734%0.344SS..EExtended strand (participates in β ladder)trans-110.2132.6172-173.3173.1100.300108.4F3 K7 T131 V132F3-E5 HydrophobicContact CD2-CB 4.46Å; F3-E5 HydrophobicContact CE2-CB 4.44Å; E5-K7 HydrophobicContact CG-CG 4.48Å; E5-K7 WeakPolarHBondContact OE1-CE 3.26Å; E5-K7 IonicContact OE1-NZ 3.76Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; E5-T131 HydrophobicContact CG-CG2 3.77Å; E5-V132 WeakPolarHBondContact CA-O 3.29Å
6V87.8Confident81.7Confident13 Ų1375 Ų758%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-122.8127.916958.70000109F34 S35 F43 T131 V132V6-F34 HydrophobicContact CG1-CD2 4.46Å; V6-F34 HydrophobicContact CG1-CE2 4.41Å; V6-F34 HydrophobicContact CG2-CD2 3.83Å; V6-F34 HydrophobicContact CG2-CE2 4.43Å; V6-S35 VanDerWaalsContact CG2-O 3.31Å; V6-S35 WeakPolarHBondContact CG2-O 3.33Å; V6-F43 HydrophobicContact CG1-CD2 4.09Å; V6-F43 HydrophobicContact CG1-CE2 3.79Å; V6-T131 CarbonylContact O-C 3.57Å; V6-T131 WeakPolarHBondContact O-CA 3.45Å; V6-V132 HydrophobicContact CG1-CB 3.63Å; V6-V132 HydrophobicContact CG1-CG2 4.17Å; V6-V132 PolarHBondContact N-O 3.07Å; V6-V132 PolarHBondContact O-N 3.31Å
7K89.5Confident81.9Confident146 Ų14677.4 Ų77.464%0.63535%0.354SS*.EExtended strand (participates in β ladder)trans-108.2137.2173.5-60.2-169.3-172.3-173.40109.3E5 C130 T131E5-K7 HydrophobicContact CG-CG 4.48Å; E5-K7 WeakPolarHBondContact OE1-CE 3.26Å; E5-K7 IonicContact OE1-NZ 3.76Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; K7-C130 CarbonylContact C-O 3.54Å; K7-C130 WeakPolarHBondContact CA-O 3.45Å; K7-T131 HydrophobicContact CG-CG2 4.25Å
8H92.6Very high82.2Confident34 Ų3476.4 Ų76.416%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-137135.4176.5-177.280.2000110.1F34 M45 C130H8-F34 HydrophobicContact CB-CB 4.38Å; H8-F34 HydrophobicContact CB-CD1 3.9Å; H8-F34 HydrophobicContact CB-CD2 3.69Å; H8-F34 HydrophobicContact CB-CE1 3.98Å; H8-F34 HydrophobicContact CB-CE2 3.76Å; H8-F34 HydrophobicContact CB-CG 3.74Å; H8-F34 HydrophobicContact CB-CZ 3.89Å; H8-F34 AromaticContact CD2-CD1 3.76Å; H8-F34 AromaticContact CD2-CE1 3.8Å; H8-F34 AromaticContact CE1-CD1 3.96Å; H8-F34 AromaticContact CG-CD1 3.47Å; H8-F34 VanDerWaalsContact CG-CD1 3.47Å; H8-F34 AromaticContact CG-CE1 3.78Å; H8-F34 AromaticContact CG-CG 3.65Å; H8-F34 AromaticContact ND1-CD1 3.63Å; H8-F34 AromaticContact ND1-CG 3.66Å; H8-M45 WeakPolarHBondContact CD2-CE 3.22Å; H8-C130 PolarHBondContact N-O 3.36Å; H8-C130 PolarHBondContact O-N 2.93Å
9R91.5Very high82.2Confident154 Ų15472.9 Ų72.958%0.58133%0.334SS*.EExtended strand (participates in β ladder)trans-113.7119.3175.6-179.6176.5-179.1-167.4-2.1108.7I11 T127 V128 L129R9-I11 HydrophobicContact CG-CG1 4.13Å; R9-T127 HydrophobicContact CG-CG2 4.09Å; R9-V128 WeakPolarHBondContact CA-O 2.82Å; R9-L129 HydrophobicContact CB-CD2 3.68Å; R9-L129 HydrophobicContact CG-CD2 3.63Å
10W92.4Very high82.1Confident24 Ų2473.4 Ų73.49%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-111.5119174.5-178.929.8000109.4I12 I29 Q30 M45 L47 L63 T127 V128W10-I12 HydrophobicContact CD2-CD1 4.07Å; W10-I12 HydrophobicContact CD2-CG1 3.97Å; W10-I12 HydrophobicContact CE3-CD1 4.17Å; W10-I12 HydrophobicContact CG-CG1 4.4Å; W10-I12 HydrophobicContact CH2-CD1 3.6Å; W10-I12 HydrophobicContact CH2-CG1 4.41Å; W10-I12 HydrophobicContact CZ2-CD1 3.45Å; W10-I12 VanDerWaalsContact CZ2-CD1 3.45Å; W10-I12 HydrophobicContact CZ2-CG1 3.83Å; W10-I12 HydrophobicContact CZ3-CD1 3.95Å; W10-I29 HydrophobicContact CH2-CB 4.47Å; W10-I29 HydrophobicContact CH2-CG2 4.31Å; W10-I29 WeakPolarHBondContact CH2-O 3.3Å; W10-I29 HydrophobicContact CZ2-CB 4.42Å; W10-I29 HydrophobicContact CZ2-CG2 3.79Å; W10-Q30 VanDerWaalsContact CZ2-C 3.47Å; W10-M45 HydrophobicContact CB-CE 3.42Å; W10-M45 VanDerWaalsContact CB-CE 3.42Å; W10-M45 HydrophobicContact CD2-CE 4.16Å; W10-M45 HydrophobicContact CE3-CB 3.92Å; W10-M45 HydrophobicContact CE3-CE 3.78Å; W10-M45 HydrophobicContact CE3-SD 4.46Å; W10-M45 HydrophobicContact CG-CE 4.1Å; W10-M45 HydrophobicContact CZ3-CB 3.94Å; W10-L47 HydrophobicContact CH2-CB 4Å; W10-L47 HydrophobicContact CZ3-CB 4.36Å; W10-L63 HydrophobicContact CE3-CD1 4.24Å; W10-L63 HydrophobicContact CZ3-CD1 3.7Å; W10-T127 WeakPolarHBondContact O-CA 3.4Å; W10-V128 HydrophobicContact CB-CB 4.33Å; W10-V128 HydrophobicContact CE3-CB 4.4Å; W10-V128 HydrophobicContact CE3-CG2 4.17Å; W10-V128 PolarHBondContact N-O 2.81Å; W10-V128 PolarHBondContact O-N 2.83Å
11I90Very high82.3Confident71 Ų7174.8 Ų74.836%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-107.7123.4176.6-54.2175.5000107R9 E13 V125 L126 T127R9-I11 HydrophobicContact CG-CG1 4.13Å; I11-E13 HydrophobicContact CG2-CG 4.16Å; I11-V125 HydrophobicContact CG2-CG1 3.61Å; I11-L126 WeakPolarHBondContact CA-O 3.35Å; I11-T127 HydrophobicContact CG1-CG2 4.44Å
12I89.3Confident83.9Confident1 Ų170 Ų701%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-106.599.2174.8-48.7-176.6000107.2W10 F15 Q18 L47 V125 L126W10-I12 HydrophobicContact CD2-CD1 4.07Å; W10-I12 HydrophobicContact CD2-CG1 3.97Å; W10-I12 HydrophobicContact CE3-CD1 4.17Å; W10-I12 HydrophobicContact CG-CG1 4.4Å; W10-I12 HydrophobicContact CH2-CD1 3.6Å; W10-I12 HydrophobicContact CH2-CG1 4.41Å; W10-I12 HydrophobicContact CZ2-CD1 3.45Å; W10-I12 VanDerWaalsContact CZ2-CD1 3.45Å; W10-I12 HydrophobicContact CZ2-CG1 3.83Å; W10-I12 HydrophobicContact CZ3-CD1 3.95Å; I12-F15 HydrophobicContact CB-CD2 4.12Å; I12-F15 HydrophobicContact CD1-CD2 4.34Å; I12-F15 HydrophobicContact CD1-CE2 4.32Å; I12-F15 HydrophobicContact CG2-CD2 3.84Å; I12-Q18 HydrophobicContact CG2-CG 4.34Å; I12-L47 HydrophobicContact CD1-CD2 4.28Å; I12-V125 WeakPolarHBondContact O-CA 3.34Å; I12-L126 HydrophobicContact CB-CB 4.3Å; I12-L126 HydrophobicContact CD1-CD2 4.04Å; I12-L126 HydrophobicContact CD1-CG 4.4Å; I12-L126 PolarHBondContact N-O 2.84Å; I12-L126 PolarHBondContact O-N 2.84Å
13E87.2Confident85Confident123 Ų12368.7 Ų68.758%0.57532%0.318SS*.EExtended strand (participates in β ladder)trans-78.3151.7171.9-60.6178.1163.100110.2I11 F15 Q18 D124I11-E13 HydrophobicContact CG2-CG 4.16Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.1Å; E13-Q18 PolarHBondContact O-NE2 3.3Å; E13-D124 CarbonylContact C-O 3.58Å
14H86.3Confident85.6Confident104 Ų10469.9 Ų69.948%0.48133%0.329SS..THydrogen-bonded Turntrans54.841.3-175.2-55.2-70.8000112.9H16 E17 Q18 D124H14-H16 VanDerWaalsContact C-N 3.25Å; H14-H16 PolarHBondContact O-N 3.1Å; H14-H16 VanDerWaalsContact O-N 3.15Å; H14-E17 HydrophobicContact CB-CB 4.24Å; H14-E17 HydrophobicContact CB-CG 4.4Å; H14-E17 PolarHBondContact O-N 3.46Å; H14-Q18 WeakPolarHBondContact O-CG 3.41Å; H14-Q18 PolarHBondContact O-N 3.32Å; H14-D124 VanDerWaalsContact C-CG 3.49Å; H14-D124 VanDerWaalsContact CA-CG 3.47Å; H14-D124 WeakPolarHBondContact CA-O 3.39Å; H14-D124 WeakPolarHBondContact CA-OD2 3.33Å; H14-D124 PolarHBondContact N-O 2.84Å; H14-D124 IonicContact ND1-OD2 3.39Å
15F85.2Confident86.1Confident14 Ų1472.8 Ų72.86%0.06135%0.345CS..Hα-helixtrans-51.2-41-170.2-178.1-109.7000113.7I12 E13 Q18 E19 L47 L117 D124 L126I12-F15 HydrophobicContact CB-CD2 4.12Å; I12-F15 HydrophobicContact CD1-CD2 4.34Å; I12-F15 HydrophobicContact CD1-CE2 4.32Å; I12-F15 HydrophobicContact CG2-CD2 3.84Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.1Å; F15-Q18 PolarHBondContact O-N 3.07Å; F15-E19 VanDerWaalsContact O-CB 3.32Å; F15-E19 WeakPolarHBondContact O-CB 3.29Å; F15-E19 PolarHBondContact O-N 3.43Å; F15-L47 HydrophobicContact CE2-CD2 3.4Å; F15-L47 VanDerWaalsContact CE2-CD2 3.4Å; F15-L47 HydrophobicContact CZ-CD2 3.81Å; F15-L117 HydrophobicContact CD1-CD1 4.15Å; F15-L117 HydrophobicContact CE1-CD1 3.73Å; F15-D124 PolarHBondContact N-O 2.97Å; F15-D124 PolarHBondContact N-OD1 2.8Å; F15-L126 HydrophobicContact CB-CB 4.45Å; F15-L126 HydrophobicContact CD2-CB 3.76Å; F15-L126 HydrophobicContact CD2-CD2 3.89Å; F15-L126 HydrophobicContact CD2-CG 4.44Å; F15-L126 HydrophobicContact CE2-CB 4.17Å; F15-L126 HydrophobicContact CE2-CD2 3.4Å; F15-L126 HydrophobicContact CE2-CG 4.4Å; F15-L126 HydrophobicContact CG-CB 4.01Å; F15-L126 HydrophobicContact CZ-CD2 3.82Å
16H80.8Confident86.2Confident71 Ų7173.7 Ų73.733%0.32936%0.361SS..Hα-helixtrans-67.1-43179-17259.8000112.1H14 Q18 E19 L20 D124H14-H16 VanDerWaalsContact C-N 3.25Å; H14-H16 PolarHBondContact O-N 3.1Å; H14-H16 VanDerWaalsContact O-N 3.15Å; H16-Q18 VanDerWaalsContact C-N 3.35Å; H16-E19 IonicContact ND1-OE2 3.5Å; H16-E19 WeakPolarHBondContact O-CB 3.22Å; H16-E19 PolarHBondContact O-N 3.4Å; H16-L20 WeakPolarHBondContact O-CG 2.91Å; H16-L20 PolarHBondContact O-N 2.96Å; H16-D124 WeakPolarHBondContact CB-OD1 3.35Å; H16-D124 PolarHBondContact N-OD1 3.3Å
17E84.5Confident86.1Confident115 Ų11577.4 Ų77.454%0.53738%0.383SS..Hα-helixtrans-62.9-43.8174.9-62.6-176.3177.600111H14 E19 L20 L21H14-E17 HydrophobicContact CB-CB 4.24Å; H14-E17 HydrophobicContact CB-CG 4.4Å; H14-E17 PolarHBondContact O-N 3.46Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 2.84Å; E17-L20 PolarHBondContact O-N 2.97Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.99Å
18Q87.1Confident86.1Confident61 Ų6172.1 Ų72.129%0.28536%0.364SS..Hα-helixtrans-64.1-36.6175.9-61.6-163.423.100112.1I12 E13 H14 F15 H16 L21 L22 I29I12-Q18 HydrophobicContact CG2-CG 4.34Å; E13-Q18 PolarHBondContact O-NE2 3.3Å; H14-Q18 WeakPolarHBondContact O-CG 3.41Å; H14-Q18 PolarHBondContact O-N 3.32Å; F15-Q18 PolarHBondContact O-N 3.07Å; H16-Q18 VanDerWaalsContact C-N 3.35Å; Q18-L21 PolarHBondContact O-N 3.26Å; Q18-L22 WeakPolarHBondContact O-CB 2.98Å; Q18-L22 PolarHBondContact O-N 3.12Å; Q18-I29 HydrophobicContact CB-CD1 3.61Å; Q18-I29 HydrophobicContact CB-CG1 4.44Å
19E81.5Confident86.1Confident10 Ų1071.6 Ų71.65%0.04736%0.362CS..Hα-helixtrans-65.3-41.9174.8-178.4-175.9-125.900111.7F15 H16 E17 L21 L22 K23 R61F15-E19 VanDerWaalsContact O-CB 3.32Å; F15-E19 WeakPolarHBondContact O-CB 3.29Å; F15-E19 PolarHBondContact O-N 3.43Å; H16-E19 IonicContact ND1-OE2 3.5Å; H16-E19 WeakPolarHBondContact O-CB 3.22Å; H16-E19 PolarHBondContact O-N 3.4Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 2.84Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L22 WeakPolarHBondContact O-CB 3.4Å; E19-L22 PolarHBondContact O-N 3.23Å; E19-K23 HydrophobicContact CG-CD 4.46Å; E19-K23 WeakPolarHBondContact O-CG 3.4Å; E19-K23 PolarHBondContact O-N 2.85Å; E19-K23 IonicContact OE1-NZ 3.91Å; E19-K23 IonicContact OE2-NZ 3.4Å; E19-K23 PolarHBondContact OE2-NZ 3.27Å; E19-R61 IonicContact OE1-CZ 3.86Å; E19-R61 IonicContact OE1-NE 3.47Å; E19-R61 PolarHBondContact OE1-NE 2.83Å; E19-R61 IonicContact OE1-NH2 3.14Å; E19-R61 PolarHBondContact OE1-NH2 2.8Å; E19-R61 IonicContact OE2-NH2 2.8Å; E19-R61 PolarHBondContact OE2-NH2 2.76Å
20L81.3Confident86.2Confident81 Ų8168.7 Ų68.742%0.42436%0.355SS..Hα-helixtrans-62-42.8174.9-70.9171.9000110.9H16 E17 K23 L24H16-L20 WeakPolarHBondContact O-CG 2.91Å; H16-L20 PolarHBondContact O-N 2.96Å; E17-L20 PolarHBondContact O-N 2.97Å; L20-K23 PolarHBondContact O-N 2.71Å; L20-L24 VanDerWaalsContact O-CG 3.29Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.37Å
21L84.9Confident86.3Confident104 Ų10467.9 Ų67.955%0.54535%0.353SS..Hα-helixtrans-62.8-42.2174.5-71.8171.7000112.2E17 Q18 E19 K23 L24 T25E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.99Å; Q18-L21 PolarHBondContact O-N 3.26Å; E19-L21 VanDerWaalsContact C-N 3.32Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 2.87Å; L21-L24 PolarHBondContact O-N 3.41Å; L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 WeakPolarHBondContact O-CG2 3.32Å; L21-T25 PolarHBondContact O-N 3.34Å; L21-T25 PolarHBondContact O-OG1 2.65Å
22L84.5Confident86.5Confident10 Ų1067.8 Ų67.85%0.05236%0.363CS..Hα-helixtrans-57.6-45.2174.9171.862.4000111.2Q18 E19 S26 V27 I29Q18-L22 WeakPolarHBondContact O-CB 2.98Å; Q18-L22 PolarHBondContact O-N 3.12Å; E19-L22 WeakPolarHBondContact O-CB 3.4Å; E19-L22 PolarHBondContact O-N 3.23Å; L22-S26 WeakPolarHBondContact O-CA 3.36Å; L22-S26 PolarHBondContact O-N 2.95Å; L22-V27 WeakPolarHBondContact CD1-O 3.36Å; L22-I29 HydrophobicContact CB-CD1 4.39Å; L22-I29 HydrophobicContact CB-CG1 4.3Å; L22-I29 HydrophobicContact CD2-CD1 4.24Å; L22-I29 HydrophobicContact CD2-CG1 4.34Å
23K81Confident86.8Confident88 Ų8872 Ų7238%0.38338%0.383SS..Hα-helixtrans-65-41.2176.9-71171-174.7170.70112.4E19 L20 L21E19-K23 HydrophobicContact CG-CD 4.46Å; E19-K23 WeakPolarHBondContact O-CG 3.4Å; E19-K23 PolarHBondContact O-N 2.85Å; E19-K23 IonicContact OE1-NZ 3.91Å; E19-K23 IonicContact OE2-NZ 3.4Å; E19-K23 PolarHBondContact OE2-NZ 3.27Å; L20-K23 PolarHBondContact O-N 2.71Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 2.87Å
24L83.7Confident87.1Confident143 Ų14367 Ų6775%0.74936%0.359SS*.Hα-helixtrans-70.9-39.2-178.9-73.1169.6000112.9L20 L21L20-L24 VanDerWaalsContact O-CG 3.29Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.37Å; L21-L24 PolarHBondContact O-N 3.41Å
25T85.7Confident87.3Confident77 Ų7764.2 Ų64.247%0.47235%0.351SS..Hα-helixtrans-98.9-18.1-172.362.20000113.3L21 V27L21-T25 WeakPolarHBondContact O-CB 3.49Å; L21-T25 WeakPolarHBondContact O-CG2 3.32Å; L21-T25 PolarHBondContact O-N 3.34Å; L21-T25 PolarHBondContact O-OG1 2.65Å; T25-V27 PolarHBondContact O-N 3.14Å; T25-V27 VanDerWaalsContact O-N 3.12Å; T25-V27 PolarHBondContact OG1-N 3.48Å
26S83.1Confident87.4Confident104 Ų10463.6 Ų63.673%0.72735%0.349SS*.  trans56.115.9-166.7-56.50000113.8L22L22-S26 WeakPolarHBondContact O-CA 3.36Å; L22-S26 PolarHBondContact O-N 2.95Å
27V86.4Confident87.6Confident91 Ų9166 Ų6655%0.55237%0.371SS*.PPolyproline II helixtrans-91.4119.1178.7177.80000108.6L22 T25L22-V27 WeakPolarHBondContact CD1-O 3.36Å; T25-V27 PolarHBondContact O-N 3.14Å; T25-V27 VanDerWaalsContact O-N 3.12Å; T25-V27 PolarHBondContact OG1-N 3.48Å
28P90.2Very high87.5Confident34 Ų3463.1 Ų63.122%0.22136%0.359CS..PPolyproline II helixtrans-63.6144.9-178.826.9-34.3000112.3S46 L47 H48P28-S46 VanDerWaalsContact CB-OG 3.3Å; P28-S46 WeakPolarHBondContact CB-OG 3.44Å; P28-L47 WeakPolarHBondContact CA-O 3.27Å; P28-L47 WeakPolarHBondContact CB-O 3.33Å; P28-H48 WeakPolarHBondContact CB-NE2 2.9Å
29I91.9Very high87.5Confident23 Ų2367.3 Ų67.312%0.11838%0.379CS..EExtended strand (participates in β ladder)trans-77.6129.7171.9-47.8167.1000107.1W10 Q18 L22 S46 L47W10-I29 HydrophobicContact CH2-CB 4.47Å; W10-I29 HydrophobicContact CH2-CG2 4.31Å; W10-I29 WeakPolarHBondContact CH2-O 3.3Å; W10-I29 HydrophobicContact CZ2-CB 4.42Å; W10-I29 HydrophobicContact CZ2-CG2 3.79Å; Q18-I29 HydrophobicContact CB-CD1 3.61Å; Q18-I29 HydrophobicContact CB-CG1 4.44Å; L22-I29 HydrophobicContact CB-CD1 4.39Å; L22-I29 HydrophobicContact CB-CG1 4.3Å; L22-I29 HydrophobicContact CD2-CD1 4.24Å; L22-I29 HydrophobicContact CD2-CG1 4.34Å; I29-S46 CarbonylContact O-C 3.6Å; I29-S46 WeakPolarHBondContact O-CA 3.14Å; I29-L47 HydrophobicContact CB-CB 4.37Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 PolarHBondContact N-O 2.77Å; I29-L47 VanDerWaalsContact N-O 3.14Å; I29-L47 PolarHBondContact O-N 3.18Å
30Q93.8Very high87.5Confident93 Ų9371.3 Ų71.344%0.43539%0.393SS..EExtended strand (participates in β ladder)trans-119.5144-174.9-65.7-172.7-900111.8W10 M45W10-Q30 VanDerWaalsContact CZ2-C 3.47Å; Q30-M45 WeakPolarHBondContact CA-O 3.43Å
31S94.7Very high87.6Confident8 Ų868.3 Ų68.36%0.05638%0.376CS..PPolyproline II helixtrans-74.8166.5167.777.70000110.9M45S31-M45 PolarHBondContact N-O 3.22Å; S31-M45 PolarHBondContact OG-N 3.34Å
32A94.5Very high87.8Confident69 Ų6968.2 Ų68.257%0.5737%0.369SS*.PPolyproline II helixtrans-59.6154.4160.200000110.6
33E94Very high88Confident89 Ų8967.7 Ų67.742%0.41637%0.366SS..PPolyproline II helixtrans-67.1145.2167.9-63.3-171.8-171.300110.2R42 F43 R44 L68E33-R42 IonicContact OE2-NH1 3.75Å; E33-R42 PolarHBondContact OE2-NH1 2.89Å; E33-F43 WeakPolarHBondContact CA-O 3.25Å; E33-R44 IonicContact OE1-CZ 4Å; E33-R44 IonicContact OE1-NE 3.56Å; E33-R44 IonicContact OE1-NH2 2.74Å; E33-R44 PolarHBondContact OE1-NH2 2.97Å; E33-L68 VanDerWaalsContact CD-CD1 3.43Å; E33-L68 HydrophobicContact CG-CD1 3.74Å
34F93.6Very high88.6Confident17 Ų1766.7 Ų66.78%0.07536%0.36CS..EExtended strand (participates in β ladder)trans-138.9151.7171.760.6-83.7000110.2V6 H8 R42 F43 M45 L65 C130 V132V6-F34 HydrophobicContact CG1-CD2 4.46Å; V6-F34 HydrophobicContact CG1-CE2 4.41Å; V6-F34 HydrophobicContact CG2-CD2 3.83Å; V6-F34 HydrophobicContact CG2-CE2 4.43Å; H8-F34 HydrophobicContact CB-CB 4.38Å; H8-F34 HydrophobicContact CB-CD1 3.9Å; H8-F34 HydrophobicContact CB-CD2 3.69Å; H8-F34 HydrophobicContact CB-CE1 3.98Å; H8-F34 HydrophobicContact CB-CE2 3.76Å; H8-F34 HydrophobicContact CB-CG 3.74Å; H8-F34 HydrophobicContact CB-CZ 3.89Å; H8-F34 AromaticContact CD2-CD1 3.76Å; H8-F34 AromaticContact CD2-CE1 3.8Å; H8-F34 AromaticContact CE1-CD1 3.96Å; H8-F34 AromaticContact CG-CD1 3.47Å; H8-F34 VanDerWaalsContact CG-CD1 3.47Å; H8-F34 AromaticContact CG-CE1 3.78Å; H8-F34 AromaticContact CG-CG 3.65Å; H8-F34 AromaticContact ND1-CD1 3.63Å; H8-F34 AromaticContact ND1-CG 3.66Å; F34-R42 CarbonylContact O-C 3.56Å; F34-R42 WeakPolarHBondContact O-CA 3.12Å; F34-F43 HydrophobicContact CD1-CB 4.16Å; F34-F43 HydrophobicContact CD2-CB 3.89Å; F34-F43 AromaticContact CD2-CD2 3.94Å; F34-F43 HydrophobicContact CD2-CD2 3.94Å; F34-F43 HydrophobicContact CD2-CG 4.35Å; F34-F43 HydrophobicContact CE1-CB 3.78Å; F34-F43 HydrophobicContact CE2-CB 3.49Å; F34-F43 VanDerWaalsContact CE2-CB 3.49Å; F34-F43 AromaticContact CE2-CD2 3.8Å; F34-F43 HydrophobicContact CE2-CD2 3.8Å; F34-F43 AromaticContact CE2-CG 3.92Å; F34-F43 HydrophobicContact CE2-CG 3.92Å; F34-F43 HydrophobicContact CG-CB 4.23Å; F34-F43 HydrophobicContact CZ-CB 3.44Å; F34-F43 VanDerWaalsContact CZ-CB 3.44Å; F34-F43 HydrophobicContact CZ-CG 4.27Å; F34-F43 PolarHBondContact N-O 3.43Å; F34-F43 PolarHBondContact O-N 3.14Å; F34-M45 HydrophobicContact CE1-CE 4.48Å; F34-M45 HydrophobicContact CE1-CG 4.35Å; F34-L65 HydrophobicContact CE1-CD1 4.13Å; F34-L65 HydrophobicContact CZ-CD1 3.64Å; F34-C130 HydrophobicContact CZ-CB 4.48Å; F34-V132 HydrophobicContact CE2-CG2 4.32Å
35S91.3Very high89Confident47 Ų4759.9 Ų59.933%0.32932%0.324SS..EExtended strand (participates in β ladder)trans-133.7162.7-171.956.10000112V6 Y41V6-S35 VanDerWaalsContact CG2-O 3.31Å; V6-S35 WeakPolarHBondContact CG2-O 3.33Å; S35-Y41 CarbonylContact C-O 3.34Å; S35-Y41 WeakPolarHBondContact CA-O 3.3Å; S35-Y41 WeakPolarHBondContact CB-O 2.98Å
36T87.1Confident89.3Confident1 Ų156.3 Ų56.31%0.00630%0.303CS..  trans-61157.2161.744.50000111.1A4 D38 E39 R40 Y41 I134A4-T36 HydrophobicContact CB-CG2 4.17Å; T36-D38 WeakPolarHBondContact CB-OD1 3.44Å; T36-D38 PolarHBondContact O-N 3.49Å; T36-D38 PolarHBondContact OG1-OD1 2.8Å; T36-E39 WeakPolarHBondContact O-CA 3.41Å; T36-E39 PolarHBondContact O-N 2.66Å; T36-R40 PolarHBondContact OG1-N 3.03Å; T36-Y41 HydrophobicContact CG2-CD2 4.09Å; T36-Y41 PolarHBondContact N-O 3.44Å; T36-Y41 PolarHBondContact OG1-N 3.15Å; T36-I134 HydrophobicContact CG2-CD1 3.3Å; T36-I134 HydrophobicContact CG2-CG1 4.18Å
37P84.5Confident89.6Confident122 Ų12251.6 Ų51.679%0.79227%0.269SS*.THydrogen-bonded Turntrans-56.3-24.1176.4-27.335.2000114.8
38D83.7Confident89.6Confident53 Ų5348.8 Ų48.828%0.28325%0.25SC..THydrogen-bonded Turntrans-96.38176.464.13.6000113.7T36 R40 R136T36-D38 WeakPolarHBondContact CB-OD1 3.44Å; T36-D38 PolarHBondContact O-N 3.49Å; T36-D38 PolarHBondContact OG1-OD1 2.8Å; D38-R40 PolarHBondContact O-N 3.26Å; D38-R40 PolarHBondContact OD1-N 2.91Å; D38-R40 IonicContact OD1-NE 2.63Å; D38-R40 IonicContact OD2-CZ 3.75Å; D38-R40 IonicContact OD2-NE 3.67Å; D38-R40 PolarHBondContact OD2-NE 2.73Å; D38-R40 IonicContact OD2-NH2 2.77Å; D38-R40 PolarHBondContact OD2-NH2 3.47Å; D38-R136 IonicContact OD2-CZ 2.76Å; D38-R136 IonicContact OD2-NH2 2.75Å; D38-R136 PolarHBondContact OD2-NH2 2.86Å
39E85.8Confident89.1Confident150 Ų15048.3 Ų48.370%0.70125%0.247SC*.SBendtrans58.85.1177.3-57.8-175.2176.800116.4T36 Y41T36-E39 WeakPolarHBondContact O-CA 3.41Å; T36-E39 PolarHBondContact O-N 2.66Å; E39-Y41 VanDerWaalsContact C-N 3.31Å; E39-Y41 PolarHBondContact O-N 2.84Å
40R81.6Confident88Confident94 Ų9452.8 Ų52.836%0.35526%0.263SS..SBendtrans-63.9-36.1-178.5-78.4-166.1-84.5-154-25.4113.5T36 D38 D72T36-R40 PolarHBondContact OG1-N 3.03Å; D38-R40 PolarHBondContact O-N 3.26Å; D38-R40 PolarHBondContact OD1-N 2.91Å; D38-R40 IonicContact OD1-NE 2.63Å; D38-R40 IonicContact OD2-CZ 3.75Å; D38-R40 IonicContact OD2-NE 3.67Å; D38-R40 PolarHBondContact OD2-NE 2.73Å; D38-R40 IonicContact OD2-NH2 2.77Å; D38-R40 PolarHBondContact OD2-NH2 3.47Å; R40-D72 VanDerWaalsContact CD-OD2 3.26Å; R40-D72 WeakPolarHBondContact CD-OD2 3.33Å
41Y83.2Confident86.5Confident18 Ų1852.2 Ų52.27%0.07127%0.27CS..  trans-119.1130.1-179.3-54.7-76.9000109.3S35 T36 E39 F43 D72 S73 F74 I134S35-Y41 CarbonylContact C-O 3.34Å; S35-Y41 WeakPolarHBondContact CA-O 3.3Å; S35-Y41 WeakPolarHBondContact CB-O 2.98Å; T36-Y41 HydrophobicContact CG2-CD2 4.09Å; T36-Y41 PolarHBondContact N-O 3.44Å; T36-Y41 PolarHBondContact OG1-N 3.15Å; E39-Y41 VanDerWaalsContact C-N 3.31Å; E39-Y41 PolarHBondContact O-N 2.84Å; Y41-F43 HydrophobicContact CG-CZ 4.49Å; Y41-D72 HydrophobicContact CE1-CB 4.2Å; Y41-S73 PolarHBondContact OH-O 3.29Å; Y41-F74 HydrophobicContact CD1-CB 3.78Å; Y41-F74 AromaticContact CD1-CD2 3.91Å; Y41-F74 HydrophobicContact CD1-CD2 3.91Å; Y41-F74 HydrophobicContact CD1-CG 4.17Å; Y41-F74 HydrophobicContact CE1-CB 3.53Å; Y41-F74 AromaticContact CE1-CD2 3.95Å; Y41-F74 HydrophobicContact CE1-CD2 3.95Å; Y41-F74 HydrophobicContact CE1-CG 4.19Å; Y41-F74 HydrophobicContact CG-CD2 4.28Å; Y41-I134 HydrophobicContact CD2-CD1 3.34Å; Y41-I134 HydrophobicContact CD2-CG2 4.1Å; Y41-I134 HydrophobicContact CE2-CD1 4.07Å; Y41-I134 HydrophobicContact CE2-CG2 3.73Å; Y41-I134 HydrophobicContact CG-CD1 3.62Å
42R89.1Confident84.7Confident101 Ų10158 Ų5838%0.38130%0.299SS..EExtended strand (participates in β ladder)trans-120.4142.7177.4-64.4-173.6-64.1160.4-3.4109.6E33 F34 L68 P69E33-R42 IonicContact OE2-NH1 3.75Å; E33-R42 PolarHBondContact OE2-NH1 2.89Å; F34-R42 CarbonylContact O-C 3.56Å; F34-R42 WeakPolarHBondContact O-CA 3.12Å; R42-L68 HydrophobicContact CB-CB 4.03Å; R42-L68 HydrophobicContact CB-CD1 4.19Å; R42-L68 PolarHBondContact O-N 3.21Å; R42-P69 PolarHBondContact NH2-O 3.18Å; R42-P69 VanDerWaalsContact NH2-O 3.11Å
43F89.9Confident82.9Confident0 Ų064 Ų640%032%0.315CS..EExtended strand (participates in β ladder)trans-134.7153.4-172.6-53.3-73.9000110.5V6 E33 F34 Y41 L65 Y66 F74 I109 V132 I134V6-F43 HydrophobicContact CG1-CD2 4.09Å; V6-F43 HydrophobicContact CG1-CE2 3.79Å; E33-F43 WeakPolarHBondContact CA-O 3.25Å; F34-F43 HydrophobicContact CD1-CB 4.16Å; F34-F43 HydrophobicContact CD2-CB 3.89Å; F34-F43 AromaticContact CD2-CD2 3.94Å; F34-F43 HydrophobicContact CD2-CD2 3.94Å; F34-F43 HydrophobicContact CD2-CG 4.35Å; F34-F43 HydrophobicContact CE1-CB 3.78Å; F34-F43 HydrophobicContact CE2-CB 3.49Å; F34-F43 VanDerWaalsContact CE2-CB 3.49Å; F34-F43 AromaticContact CE2-CD2 3.8Å; F34-F43 HydrophobicContact CE2-CD2 3.8Å; F34-F43 AromaticContact CE2-CG 3.92Å; F34-F43 HydrophobicContact CE2-CG 3.92Å; F34-F43 HydrophobicContact CG-CB 4.23Å; F34-F43 HydrophobicContact CZ-CB 3.44Å; F34-F43 VanDerWaalsContact CZ-CB 3.44Å; F34-F43 HydrophobicContact CZ-CG 4.27Å; F34-F43 PolarHBondContact N-O 3.43Å; F34-F43 PolarHBondContact O-N 3.14Å; Y41-F43 HydrophobicContact CG-CZ 4.49Å; F43-L65 HydrophobicContact CB-CD1 4.14Å; F43-Y66 VanDerWaalsContact CA-O 3.25Å; F43-Y66 WeakPolarHBondContact CA-O 3.4Å; F43-F74 HydrophobicContact CZ-CE2 4.5Å; F43-I109 HydrophobicContact CD1-CD1 3.56Å; F43-I109 HydrophobicContact CE1-CD1 3.63Å; F43-V132 HydrophobicContact CE1-CG1 4.11Å; F43-V132 HydrophobicContact CE2-CG1 4.33Å; F43-V132 HydrophobicContact CZ-CB 4.46Å; F43-V132 HydrophobicContact CZ-CG1 3.81Å; F43-I134 HydrophobicContact CE2-CD1 4.06Å; F43-I134 HydrophobicContact CZ-CD1 3.68Å
44R93.1Very high80.9Confident67 Ų6763.8 Ų63.825%0.25334%0.337SS..EExtended strand (participates in β ladder)trans-148.6138.4171.8-175.6-176.3-63-177.23.2109.1E33 Y66 L68E33-R44 IonicContact OE1-CZ 4Å; E33-R44 IonicContact OE1-NE 3.56Å; E33-R44 IonicContact OE1-NH2 2.74Å; E33-R44 PolarHBondContact OE1-NH2 2.97Å; R44-Y66 PolarHBondContact N-O 2.94Å; R44-Y66 VanDerWaalsContact N-O 3.1Å; R44-Y66 PolarHBondContact O-N 3.49Å; R44-L68 HydrophobicContact CB-CD1 4.25Å; R44-L68 HydrophobicContact CB-CD2 4.29Å; R44-L68 HydrophobicContact CB-CG 4.42Å
45M92Very high79.1Confident0 Ų065.3 Ų65.30%035%0.353CS..EExtended strand (participates in β ladder)trans-96.1148.6170.8-65.9179.4-61.700110.6H8 W10 Q30 S31 F34 L63 T64 L65 V128 C130H8-M45 WeakPolarHBondContact CD2-CE 3.22Å; W10-M45 HydrophobicContact CB-CE 3.42Å; W10-M45 VanDerWaalsContact CB-CE 3.42Å; W10-M45 HydrophobicContact CD2-CE 4.16Å; W10-M45 HydrophobicContact CE3-CB 3.92Å; W10-M45 HydrophobicContact CE3-CE 3.78Å; W10-M45 HydrophobicContact CE3-SD 4.46Å; W10-M45 HydrophobicContact CG-CE 4.1Å; W10-M45 HydrophobicContact CZ3-CB 3.94Å; Q30-M45 WeakPolarHBondContact CA-O 3.43Å; S31-M45 PolarHBondContact N-O 3.22Å; S31-M45 PolarHBondContact OG-N 3.34Å; F34-M45 HydrophobicContact CE1-CE 4.48Å; F34-M45 HydrophobicContact CE1-CG 4.35Å; M45-L63 HydrophobicContact CB-CD1 4.21Å; M45-T64 CarbonylContact C-O 3.53Å; M45-T64 WeakPolarHBondContact CA-O 3.44Å; M45-L65 HydrophobicContact CG-CB 4.48Å; M45-L65 HydrophobicContact CG-CD1 3.48Å; M45-L65 VanDerWaalsContact CG-CD1 3.48Å; M45-V128 HydrophobicContact CE-CG1 4.24Å; M45-V128 HydrophobicContact SD-CG1 3.73Å; M45-C130 HydrophobicContact CE-CB 4.41Å; M45-C130 HydrophobicContact SD-CB 3.73Å
46S91.7Very high77.4Confident2 Ų272.8 Ų72.81%0.01438%0.382CS..EExtended strand (participates in β ladder)trans-138134.1176.9-1570000109.3P28 I29 H48 T64P28-S46 VanDerWaalsContact CB-OG 3.3Å; P28-S46 WeakPolarHBondContact CB-OG 3.44Å; I29-S46 CarbonylContact O-C 3.6Å; I29-S46 WeakPolarHBondContact O-CA 3.14Å; S46-H48 PolarHBondContact OG-CE1 2.72Å; S46-T64 PolarHBondContact N-O 2.85Å; S46-T64 PolarHBondContact O-N 3.23Å
47L90.1Very high76.1Confident4 Ų480.2 Ų80.22%0.02142%0.417CS..EExtended strand (participates in β ladder)trans-104.3123.5172-177.662.8000109.5W10 I12 F15 P28 I29 R61 L63 L114 L126W10-L47 HydrophobicContact CH2-CB 4Å; W10-L47 HydrophobicContact CZ3-CB 4.36Å; I12-L47 HydrophobicContact CD1-CD2 4.28Å; F15-L47 HydrophobicContact CE2-CD2 3.4Å; F15-L47 VanDerWaalsContact CE2-CD2 3.4Å; F15-L47 HydrophobicContact CZ-CD2 3.81Å; P28-L47 WeakPolarHBondContact CA-O 3.27Å; P28-L47 WeakPolarHBondContact CB-O 3.33Å; I29-L47 HydrophobicContact CB-CB 4.37Å; I29-L47 HydrophobicContact CD1-CD2 4.29Å; I29-L47 PolarHBondContact N-O 2.77Å; I29-L47 VanDerWaalsContact N-O 3.14Å; I29-L47 PolarHBondContact O-N 3.18Å; L47-R61 HydrophobicContact CD1-CB 4.34Å; L47-L63 HydrophobicContact CD1-CB 4.46Å; L47-L114 HydrophobicContact CD1-CD1 3.55Å; L47-L114 HydrophobicContact CD1-CG 4.33Å; L47-L114 HydrophobicContact CD2-CD1 4.39Å; L47-L126 HydrophobicContact CD2-CD2 4.4Å
48H86.9Confident74.8Confident32 Ų3277.4 Ų77.415%0.14840%0.399CS..EExtended strand (participates in β ladder)trans-112.6150174.9-60.484.3000109.7P28 S46 Y50 R61 I62 Y66P28-H48 WeakPolarHBondContact CB-NE2 2.9Å; S46-H48 PolarHBondContact OG-CE1 2.72Å; H48-Y50 HydrophobicContact CB-CD2 4.31Å; H48-Y50 HydrophobicContact CB-CE2 3.79Å; H48-R61 CarbonylContact O-C 3.58Å; H48-R61 WeakPolarHBondContact O-CA 3.44Å; H48-I62 PolarHBondContact N-O 2.81Å; H48-I62 PolarHBondContact O-N 2.84Å; H48-Y66 PolarHBondContact CE1-OH 3.48Å
49S79.6Confident73.8Confident24 Ų2475.7 Ų75.717%0.16839%0.391CS..EExtended strand (participates in β ladder)trans-123.8114.9169.8-174.70000106.6P59S49-P59 VanDerWaalsContact OG-CB 3.3Å; S49-P59 WeakPolarHBondContact OG-CB 3.15Å; S49-P59 VanDerWaalsContact OG-CG 3.26Å; S49-P59 WeakPolarHBondContact OG-CG 3.3Å
50Y67.8Low73.2Confident117 Ų11772.7 Ų72.746%0.45938%0.379SS..EExtended strand (participates in β ladder)trans-97.7104175.6-69.9-79.2000108.1H48 P59 D60 I62H48-Y50 HydrophobicContact CB-CD2 4.31Å; H48-Y50 HydrophobicContact CB-CE2 3.79Å; Y50-P59 WeakPolarHBondContact O-CA 3.3Å; Y50-P59 WeakPolarHBondContact O-CB 3.36Å; Y50-D60 PolarHBondContact N-O 3.37Å; Y50-D60 VanDerWaalsContact N-O 3.1Å; Y50-I62 HydrophobicContact CD2-CD1 3.64Å; Y50-I62 HydrophobicContact CD2-CG1 4.12Å; Y50-I62 HydrophobicContact CE2-CB 4.48Å; Y50-I62 HydrophobicContact CE2-CD1 3.8Å; Y50-I62 HydrophobicContact CE2-CG1 4.38Å
51S63.1Low73.1Confident82 Ų8268.9 Ų68.957%0.57337%0.365SS*.  trans-88.2115.4164.2-166.40000107.4E53S51-E53 PolarHBondContact O-N 2.82Å
52I57.3Low73.1Confident130 Ų13069.3 Ų69.367%0.66737%0.368SS*.  trans-73.1118.2164.2-58.5175.9000105.6G54 A55I52-G54 PolarHBondContact O-N 2.96Å; I52-G54 VanDerWaalsContact O-N 3.1Å; I52-A55 HydrophobicContact CB-CB 4.09Å; I52-A55 PolarHBondContact O-N 2.83Å; I52-A55 VanDerWaalsContact O-N 3.1Å
53E55.3Low73Confident193 Ų19364.5 Ų64.590%0.90235%0.35SS*.THydrogen-bonded Turntrans-54.3119.6173.6-74.7-174162.300109.3S51S51-E53 PolarHBondContact O-N 2.82Å
54G52.9Low72.8Confident85 Ų8564.6 Ų64.688%0.87635%0.351SS*.THydrogen-bonded Turntrans95.7-0.7179.500000116.2I52I52-G54 PolarHBondContact O-N 2.96Å; I52-G54 VanDerWaalsContact O-N 3.1Å
55A56.4Low72.6Confident49 Ų4961.4 Ų61.441%0.40534%0.339SS..  trans-82.8127.1169.300000110.6I52 E57I52-A55 HydrophobicContact CB-CB 4.09Å; I52-A55 PolarHBondContact O-N 2.83Å; I52-A55 VanDerWaalsContact O-N 3.1Å; A55-E57 PolarHBondContact O-N 2.94Å
56E55.2Low72.3Confident204 Ų20463.3 Ų63.395%0.95335%0.346SS*.SBendtrans-71.3-13.6170.2-69.1-170.8158.300112.2
57E58.4Low72Confident157 Ų15763.2 Ų63.273%0.73435%0.346SS*.SBendtrans-77.5137.4179.2-69.3-174.3164.100111.3A55A55-E57 PolarHBondContact O-N 2.94Å
58P58.7Low71.7Confident64 Ų6464 Ų6442%0.41635%0.35SS..PPolyproline II helixtrans-57.6143.2176.715.6-20.9000110.1D60 H116P58-D60 PolarHBondContact O-N 2.96Å; P58-H116 HydrophobicContact CG-CB 4.49Å; P58-H116 PolarHBondContact O-CE1 3.39Å
59P62.3Low71.2Confident17 Ų1766 Ų6611%0.1137%0.366CS..PPolyproline II helixtrans-61.7137.9-172.523.3-32.8000111.5S49 Y50 R61S49-P59 VanDerWaalsContact OG-CB 3.3Å; S49-P59 WeakPolarHBondContact OG-CB 3.15Å; S49-P59 VanDerWaalsContact OG-CG 3.26Å; S49-P59 WeakPolarHBondContact OG-CG 3.3Å; Y50-P59 WeakPolarHBondContact O-CA 3.3Å; Y50-P59 WeakPolarHBondContact O-CB 3.36Å; P59-R61 PolarHBondContact O-N 2.8Å
60D71.9Confident70.7Confident86 Ų8666.9 Ų66.946%0.4638%0.378SS..EExtended strand (participates in β ladder)trans-62.5126.6170.9-84.5-24.3000109.3Y50 P58 T113Y50-D60 PolarHBondContact N-O 3.37Å; Y50-D60 VanDerWaalsContact N-O 3.1Å; P58-D60 PolarHBondContact O-N 2.96Å; D60-T113 HydrophobicContact CB-CG2 4.43Å
61R80.6Confident70.3Confident15 Ų1569.2 Ų69.26%0.05740%0.397CS..EExtended strand (participates in β ladder)trans-95.9115.3177.8-68.4172.9-173119.6-0.1107.9E19 L47 H48 P59 T113 L114 P115 L117E19-R61 IonicContact OE1-CZ 3.86Å; E19-R61 IonicContact OE1-NE 3.47Å; E19-R61 PolarHBondContact OE1-NE 2.83Å; E19-R61 IonicContact OE1-NH2 3.14Å; E19-R61 PolarHBondContact OE1-NH2 2.8Å; E19-R61 IonicContact OE2-NH2 2.8Å; E19-R61 PolarHBondContact OE2-NH2 2.76Å; L47-R61 HydrophobicContact CD1-CB 4.34Å; H48-R61 CarbonylContact O-C 3.58Å; H48-R61 WeakPolarHBondContact O-CA 3.44Å; P59-R61 PolarHBondContact O-N 2.8Å; R61-T113 CarbonylContact O-C 3.5Å; R61-T113 WeakPolarHBondContact O-CA 3.48Å; R61-L114 HydrophobicContact CB-CB 3.78Å; R61-L114 HydrophobicContact CB-CD1 4.09Å; R61-L114 HydrophobicContact CB-CG 4.03Å; R61-L114 PolarHBondContact O-N 2.87Å; R61-P115 PolarHBondContact NH1-O 2.75Å; R61-P115 VanDerWaalsContact NH1-O 3.14Å; R61-L117 PolarHBondContact NH2-O 3.42Å
62I83.7Confident70.3Confident26 Ų2668.4 Ų68.413%0.13339%0.386CS..EExtended strand (participates in β ladder)trans-111.7112.3-175.4-56.1-171.8000109H48 Y50 E111H48-I62 PolarHBondContact N-O 2.81Å; H48-I62 PolarHBondContact O-N 2.84Å; Y50-I62 HydrophobicContact CD2-CD1 3.64Å; Y50-I62 HydrophobicContact CD2-CG1 4.12Å; Y50-I62 HydrophobicContact CE2-CB 4.48Å; Y50-I62 HydrophobicContact CE2-CD1 3.8Å; Y50-I62 HydrophobicContact CE2-CG1 4.38Å; I62-E111 VanDerWaalsContact CG2-CD 3.46Å; I62-E111 HydrophobicContact CG2-CG 3.32Å
63L86.6Confident70.6Confident1 Ų165.9 Ų65.91%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-87116.8168.8177.471000108.7W10 M45 L47 L80 I82 E111 A112 L114 V128W10-L63 HydrophobicContact CE3-CD1 4.24Å; W10-L63 HydrophobicContact CZ3-CD1 3.7Å; M45-L63 HydrophobicContact CB-CD1 4.21Å; L47-L63 HydrophobicContact CD1-CB 4.46Å; L63-L80 HydrophobicContact CD2-CD1 4.25Å; L63-I82 HydrophobicContact CD2-CD1 3.64Å; L63-I82 HydrophobicContact CD2-CG1 4.23Å; L63-E111 CarbonylContact O-C 3.42Å; L63-E111 VanDerWaalsContact O-CA 3.3Å; L63-E111 WeakPolarHBondContact O-CA 3.38Å; L63-A112 HydrophobicContact CB-CB 4.46Å; L63-A112 PolarHBondContact N-O 3.41Å; L63-A112 PolarHBondContact O-N 3.46Å; L63-L114 HydrophobicContact CB-CD2 3.99Å; L63-V128 HydrophobicContact CD2-CG1 3.54Å; L63-V128 HydrophobicContact CD2-CG2 4.26Å
64T86.5Confident71.1Confident2 Ų256.8 Ų56.81%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-115.8129.7178.2-49.20000110.2M45 S46 Y66 R108 A110M45-T64 CarbonylContact C-O 3.53Å; M45-T64 WeakPolarHBondContact CA-O 3.44Å; S46-T64 PolarHBondContact N-O 2.85Å; S46-T64 PolarHBondContact O-N 3.23Å; T64-Y66 HydrophobicContact CG2-CD2 4.08Å; T64-Y66 HydrophobicContact CG2-CE1 4.12Å; T64-Y66 HydrophobicContact CG2-CE2 3.49Å; T64-Y66 VanDerWaalsContact CG2-CE2 3.49Å; T64-R108 HydrophobicContact CG2-CB 3.87Å; T64-R108 HydrophobicContact CG2-CG 3.72Å; T64-A110 CarbonylContact C-O 3.55Å; T64-A110 VanDerWaalsContact CA-O 3.3Å; T64-A110 WeakPolarHBondContact CA-O 3.35Å
65L87.6Confident71.7Confident0 Ų053.3 Ų53.30%030%0.3CS..EExtended strand (participates in β ladder)trans-94.4126.7167.7-178.369.1000108.8F34 F43 M45 V78 I109 A110 V132F34-L65 HydrophobicContact CE1-CD1 4.13Å; F34-L65 HydrophobicContact CZ-CD1 3.64Å; F43-L65 HydrophobicContact CB-CD1 4.14Å; M45-L65 HydrophobicContact CG-CB 4.48Å; M45-L65 HydrophobicContact CG-CD1 3.48Å; M45-L65 VanDerWaalsContact CG-CD1 3.48Å; L65-V78 HydrophobicContact CD2-CB 4.33Å; L65-V78 HydrophobicContact CD2-CG1 3.5Å; L65-V78 HydrophobicContact CD2-CG2 3.85Å; L65-I109 HydrophobicContact CB-CG1 4.02Å; L65-I109 HydrophobicContact CD2-CD1 3.44Å; L65-I109 VanDerWaalsContact CD2-CD1 3.44Å; L65-I109 HydrophobicContact CD2-CG1 3.69Å; L65-I109 HydrophobicContact CG-CD1 3.71Å; L65-I109 HydrophobicContact CG-CG1 3.59Å; L65-I109 WeakPolarHBondContact O-CG1 3.3Å; L65-I109 PolarHBondContact O-N 2.63Å; L65-A110 HydrophobicContact CB-CB 3.84Å; L65-A110 HydrophobicContact CD2-CB 4.26Å; L65-A110 PolarHBondContact N-O 3.1Å; L65-A110 PolarHBondContact O-N 2.97Å; L65-A110 VanDerWaalsContact O-N 3.17Å; L65-V132 HydrophobicContact CD2-CG2 3.85Å
66Y86.9Confident72.2Confident39 Ų3951.3 Ų51.315%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-105.3137.8176.7-64.4-95.2000110F43 R44 H48 T64 V106 R108F43-Y66 VanDerWaalsContact CA-O 3.25Å; F43-Y66 WeakPolarHBondContact CA-O 3.4Å; R44-Y66 PolarHBondContact N-O 2.94Å; R44-Y66 VanDerWaalsContact N-O 3.1Å; R44-Y66 PolarHBondContact O-N 3.49Å; H48-Y66 PolarHBondContact CE1-OH 3.48Å; T64-Y66 HydrophobicContact CG2-CD2 4.08Å; T64-Y66 HydrophobicContact CG2-CE1 4.12Å; T64-Y66 HydrophobicContact CG2-CE2 3.49Å; T64-Y66 VanDerWaalsContact CG2-CE2 3.49Å; Y66-V106 HydrophobicContact CD1-CG1 4.07Å; Y66-R108 HydrophobicContact CD1-CG 4.01Å; Y66-R108 HydrophobicContact CE1-CG 3.51Å
67S84Confident72.7Confident1 Ų142.3 Ų42.31%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-87.8119158.7179.60000108K102 V106 E107S67-K102 PolarHBondContact OG-NZ 2.8Å; S67-V106 WeakPolarHBondContact O-CA 2.84Å; S67-E107 PolarHBondContact N-O 2.76Å; S67-E107 PolarHBondContact O-N 3.38Å
68L84.9Confident73.2Confident21 Ų2134.8 Ų34.811%0.1121%0.206CC..PPolyproline II helixtrans-73.7163.3176.9-59.2-179.3000110.2E33 R42 R44 G70 K102E33-L68 VanDerWaalsContact CD-CD1 3.43Å; E33-L68 HydrophobicContact CG-CD1 3.74Å; R42-L68 HydrophobicContact CB-CB 4.03Å; R42-L68 HydrophobicContact CB-CD1 4.19Å; R42-L68 PolarHBondContact O-N 3.21Å; R44-L68 HydrophobicContact CB-CD1 4.25Å; R44-L68 HydrophobicContact CB-CD2 4.29Å; R44-L68 HydrophobicContact CB-CG 4.42Å; L68-G70 PolarHBondContact O-N 3.25Å; L68-G70 VanDerWaalsContact O-N 3.16Å; L68-K102 PolarHBondContact O-NZ 2.92Å
69P75.7Confident73.8Confident74 Ų7434.1 Ų34.148%0.48120%0.199SC..PPolyproline II helixtrans-59.5124.8178.4-19.334.1000109.3R42 V106R42-P69 PolarHBondContact NH2-O 3.18Å; R42-P69 VanDerWaalsContact NH2-O 3.11Å; P69-V106 HydrophobicContact CG-CG2 3.49Å; P69-V106 VanDerWaalsContact CG-CG2 3.49Å
70G68.5Low74Confident41 Ų4133.3 Ų33.342%0.42319%0.194SC..  trans-129.3173.6176.300000109.8L68 D72L68-G70 PolarHBondContact O-N 3.25Å; L68-G70 VanDerWaalsContact O-N 3.16Å; G70-D72 VanDerWaalsContact C-N 3.32Å
71I59.7Low73.8Confident166 Ų16631.8 Ų31.885%0.85118%0.184SC*.SBendtrans-74.5-30.2-177.6-57.2172.3000110.4
72D63.1Low73.3Confident65 Ų6531.1 Ų31.135%0.34818%0.181SC..SBendtrans-114.3151.1-167.9-62.5-28.7000113.4R40 Y41 G70R40-D72 VanDerWaalsContact CD-OD2 3.26Å; R40-D72 WeakPolarHBondContact CD-OD2 3.33Å; Y41-D72 HydrophobicContact CE1-CB 4.2Å; G70-D72 VanDerWaalsContact C-N 3.32Å
73S63.6Low72.5Confident77 Ų7731.3 Ų31.354%0.53819%0.185SC..  trans-67.9134.216550.20000110.2Y41Y41-S73 PolarHBondContact OH-O 3.29Å
74F65.6Low71.5Confident2 Ų232.4 Ų32.41%0.00919%0.189CC..  trans-106.6132.3-175.5167-109.2000110.9Y41 F43 K102 I109 V132 I134Y41-F74 HydrophobicContact CD1-CB 3.78Å; Y41-F74 AromaticContact CD1-CD2 3.91Å; Y41-F74 HydrophobicContact CD1-CD2 3.91Å; Y41-F74 HydrophobicContact CD1-CG 4.17Å; Y41-F74 HydrophobicContact CE1-CB 3.53Å; Y41-F74 AromaticContact CE1-CD2 3.95Å; Y41-F74 HydrophobicContact CE1-CD2 3.95Å; Y41-F74 HydrophobicContact CE1-CG 4.19Å; Y41-F74 HydrophobicContact CG-CD2 4.28Å; F43-F74 HydrophobicContact CZ-CE2 4.5Å; F74-K102 HydrophobicContact CB-CB 4.01Å; F74-K102 HydrophobicContact CB-CD 3.94Å; F74-K102 HydrophobicContact CD1-CB 4.14Å; F74-K102 WeakPolarHBondContact O-CB 3.21Å; F74-K102 PolarHBondContact O-N 3.1Å; F74-I109 HydrophobicContact CE1-CD1 4.39Å; F74-V132 HydrophobicContact CE2-CG1 4.32Å; F74-V132 HydrophobicContact CZ-CG1 3.85Å; F74-I134 HydrophobicContact CD2-CB 4.36Å; F74-I134 HydrophobicContact CD2-CD1 3.96Å; F74-I134 HydrophobicContact CD2-CG1 4.25Å; F74-I134 HydrophobicContact CD2-CG2 3.63Å; F74-I134 HydrophobicContact CE2-CB 3.79Å; F74-I134 HydrophobicContact CE2-CD1 3.63Å; F74-I134 HydrophobicContact CE2-CG1 3.51Å; F74-I134 HydrophobicContact CE2-CG2 3.54Å; F74-I134 HydrophobicContact CZ-CG1 4.41Å
75S64.9Low70.1Confident13 Ų1335.1 Ų35.19%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-127.5131.8164.6179.80000109.2Y135S75-Y135 PolarHBondContact O-N 3Å
76G67.1Low68.5Low6 Ų636 Ų366%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-174.7176.3-176.900000115.1L100 T133G76-L100 PolarHBondContact N-O 2.97Å; G76-L100 PolarHBondContact O-N 2.77Å; G76-T133 CarbonylContact C-O 3.53Å; G76-T133 WeakPolarHBondContact CA-O 3.41Å
77K67Low67Low15 Ų1541.1 Ų41.17%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-105.3144.9169.3-60.3-172.6173-172.20109.3H99 T133 Y135 F176 N178 D179 C180 T181K77-H99 VanDerWaalsContact CD-CE1 3.45Å; K77-H99 WeakPolarHBondContact CD-CE1 3.18Å; K77-H99 WeakPolarHBondContact CD-ND1 2.86Å; K77-H99 VanDerWaalsContact CG-ND1 3.29Å; K77-H99 WeakPolarHBondContact CG-ND1 2.73Å; K77-T133 PolarHBondContact N-O 2.85Å; K77-T133 PolarHBondContact O-N 3.3Å; K77-Y135 HydrophobicContact CD-CE2 4.1Å; K77-Y135 VanDerWaalsContact CD-OH 3.25Å; K77-Y135 WeakPolarHBondContact CD-OH 3.45Å; K77-Y135 WeakPolarHBondContact CE-OH 3.5Å; K77-Y135 HydrophobicContact CG-CE2 3.67Å; K77-F176 VanDerWaalsContact CE-CE1 3.48Å; K77-N178 PolarHBondContact NZ-O 3.04Å; K77-D179 VanDerWaalsContact NZ-C 3.28Å; K77-D179 PolarHBondContact NZ-O 2.9Å; K77-C180 PolarHBondContact NZ-O 3.31Å; K77-C180 VanDerWaalsContact NZ-O 3.17Å; K77-T181 WeakPolarHBondContact CE-OG1 3.35Å; K77-T181 PolarHBondContact NZ-OG1 2.85Å
78V67.6Low65.5Low0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-118.2129.9169.1-179.90000108L65 L80 I98 L100 I109 A110 V132L65-V78 HydrophobicContact CD2-CB 4.33Å; L65-V78 HydrophobicContact CD2-CG1 3.5Å; L65-V78 HydrophobicContact CD2-CG2 3.85Å; V78-L80 HydrophobicContact CG1-CD2 4.05Å; V78-L80 HydrophobicContact CG1-CG 4.01Å; V78-I98 PolarHBondContact N-O 3.1Å; V78-I98 CarbonylContact O-C 3.57Å; V78-I98 PolarHBondContact O-N 2.84Å; V78-L100 HydrophobicContact CB-CD1 4.03Å; V78-L100 HydrophobicContact CG2-CD1 3.65Å; V78-I109 HydrophobicContact CG2-CD1 4.1Å; V78-A110 HydrophobicContact CB-CB 4.02Å; V78-A110 HydrophobicContact CG1-CB 3.68Å; V78-A110 HydrophobicContact CG2-CB 4.41Å; V78-V132 HydrophobicContact CG1-CG2 4.43Å; V78-V132 HydrophobicContact CG2-CG1 4.07Å; V78-V132 HydrophobicContact CG2-CG2 4.27Å
79L71.6Confident63.8Low50 Ų5053.8 Ų53.826%0.26230%0.304SS..EExtended strand (participates in β ladder)trans-110.6121.8166.9168.865.7000107.7E81 V97 T131L79-E81 HydrophobicContact CD1-CG 4Å; L79-E81 HydrophobicContact CD2-CG 4.08Å; L79-E81 HydrophobicContact CG-CG 3.89Å; L79-V97 HydrophobicContact CD1-CG2 3.54Å; L79-T131 PolarHBondContact N-O 2.97Å; L79-T131 PolarHBondContact O-N 2.9Å
80L67.7Low62.4Low0 Ų057.9 Ų57.90%032%0.316CS..EExtended strand (participates in β ladder)trans-107.8118.1170.7-64177.2000108.3L63 V78 K96 A110 A112 C130L63-L80 HydrophobicContact CD2-CD1 4.25Å; V78-L80 HydrophobicContact CG1-CD2 4.05Å; V78-L80 HydrophobicContact CG1-CG 4.01Å; L80-K96 PolarHBondContact N-O 3.17Å; L80-K96 PolarHBondContact O-N 2.79Å; L80-A110 HydrophobicContact CD1-CB 3.79Å; L80-A110 HydrophobicContact CG-CB 4.34Å; L80-A112 HydrophobicContact CD1-CB 4.16Å; L80-C130 HydrophobicContact CD2-CB 3.78Å
81E67.2Low61.5Low54 Ų5462.8 Ų62.825%0.25233%0.329SS..EExtended strand (participates in β ladder)trans-111.1117.9173-57.2-177.212200107.6L79 L93 N95 L129L79-E81 HydrophobicContact CD1-CG 4Å; L79-E81 HydrophobicContact CD2-CG 4.08Å; L79-E81 HydrophobicContact CG-CG 3.89Å; E81-L93 HydrophobicContact CB-CD2 3.98Å; E81-N95 WeakPolarHBondContact CB-OD1 3.43Å; E81-N95 WeakPolarHBondContact CG-OD1 3.46Å; E81-L129 HydrophobicContact CB-CB 4.14Å; E81-L129 PolarHBondContact N-O 2.97Å; E81-L129 WeakPolarHBondContact O-CA 2.94Å; E81-L129 PolarHBondContact O-N 2.84Å; E81-L129 VanDerWaalsContact O-O 3.05Å
82I70.2Confident61.1Low0 Ų063.6 Ų63.60%033%0.329CS..EExtended strand (participates in β ladder)trans-117120.5-171.8-46.5179.2000108.6L63 Y84 L93 L94 A112 L114 L126 V128L63-I82 HydrophobicContact CD2-CD1 3.64Å; L63-I82 HydrophobicContact CD2-CG1 4.23Å; I82-Y84 HydrophobicContact CB-CE2 4.46Å; I82-Y84 HydrophobicContact CG2-CE1 4.39Å; I82-Y84 HydrophobicContact CG2-CE2 3.65Å; I82-Y84 VanDerWaalsContact CG2-OH 3.22Å; I82-Y84 WeakPolarHBondContact CG2-OH 3.49Å; I82-L93 WeakPolarHBondContact O-CA 3.25Å; I82-L94 HydrophobicContact CB-CB 4.42Å; I82-L94 HydrophobicContact CD1-CD2 4.3Å; I82-L94 PolarHBondContact N-O 3.02Å; I82-L94 PolarHBondContact O-N 2.8Å; I82-A112 HydrophobicContact CD1-CB 3.79Å; I82-L114 HydrophobicContact CD1-CD2 3.36Å; I82-L114 HydrophobicContact CG2-CD2 4.09Å; I82-L126 HydrophobicContact CG2-CD1 3.74Å; I82-V128 HydrophobicContact CG2-CG2 4.33Å
83S67.3Low60.6Low31 Ų3164.7 Ų64.722%0.21733%0.334CS..EExtended strand (participates in β ladder)trans-120.914118060.20000111.7L126 T127S83-L126 WeakPolarHBondContact O-CD1 3.16Å; S83-T127 PolarHBondContact N-O 2.71Å; S83-T127 PolarHBondContact O-N 2.74Å; S83-T127 PolarHBondContact OG-O 3.28Å
84Y64.3Low60.2Low23 Ų2364.2 Ų64.29%0.0933%0.325CS..EExtended strand (participates in β ladder)trans-123.4130.8176.9-55.5-86.9000107.5I82 V86 L114 P115 L117 L126I82-Y84 HydrophobicContact CB-CE2 4.46Å; I82-Y84 HydrophobicContact CG2-CE1 4.39Å; I82-Y84 HydrophobicContact CG2-CE2 3.65Å; I82-Y84 VanDerWaalsContact CG2-OH 3.22Å; I82-Y84 WeakPolarHBondContact CG2-OH 3.49Å; Y84-V86 PolarHBondContact O-N 3.35Å; Y84-L114 VanDerWaalsContact OH-CB 3.25Å; Y84-L114 WeakPolarHBondContact OH-CB 3.37Å; Y84-L114 VanDerWaalsContact OH-CD1 3.27Å; Y84-L114 WeakPolarHBondContact OH-CD1 3.49Å; Y84-L114 WeakPolarHBondContact OH-CD2 3.29Å; Y84-L114 WeakPolarHBondContact OH-CG 3.35Å; Y84-P115 HydrophobicContact CE2-CG 4.1Å; Y84-L117 HydrophobicContact CD1-CD1 3.29Å; Y84-L117 HydrophobicContact CD1-CD2 3.66Å; Y84-L117 HydrophobicContact CD1-CG 4.07Å; Y84-L117 HydrophobicContact CD2-CD2 4.02Å; Y84-L117 HydrophobicContact CE1-CD1 3.28Å; Y84-L117 HydrophobicContact CE1-CD2 3.97Å; Y84-L117 HydrophobicContact CE1-CG 4.08Å; Y84-L117 HydrophobicContact CE2-CD2 4.33Å; Y84-L117 HydrophobicContact CG-CD1 4.2Å; Y84-L117 HydrophobicContact CG-CD2 3.68Å; Y84-L126 HydrophobicContact CD1-CB 4.21Å; Y84-L126 HydrophobicContact CD1-CD1 3.47Å; Y84-L126 VanDerWaalsContact CD1-CD1 3.47Å; Y84-L126 HydrophobicContact CD1-CG 4.28Å; Y84-L126 HydrophobicContact CE1-CB 4.17Å; Y84-L126 HydrophobicContact CE1-CD1 3.02Å; Y84-L126 HydrophobicContact CE1-CD2 3.85Å; Y84-L126 HydrophobicContact CE1-CG 3.82Å; Y84-L126 HydrophobicContact CE2-CD1 4.42Å; Y84-L126 HydrophobicContact CG-CD1 4.32Å
85V57.3Low59.5Low60 Ų6068.4 Ų68.436%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-87.899.1174.7178.80000107.4T123V85-T123 HydrophobicContact CB-CG2 4.48Å; V85-T123 WeakPolarHBondContact CB-OG1 3.17Å; V85-T123 HydrophobicContact CG1-CG2 3.78Å; V85-T123 WeakPolarHBondContact CG1-OG1 3.37Å; V85-T123 WeakPolarHBondContact O-CB 3.3Å; V85-T123 PolarHBondContact O-N 3.16Å; V85-T123 PolarHBondContact O-OG1 3.37Å
86V55.2Low59.1Low18 Ų1871.6 Ų71.611%0.10936%0.36CS..EExtended strand (participates in β ladder)trans-77.1137.4164.9-159.50000106.9Y84 E88 Q91 R121 Y122Y84-V86 PolarHBondContact O-N 3.35Å; V86-E88 PolarHBondContact O-N 3.11Å; V86-Q91 HydrophobicContact CG2-CB 4.19Å; V86-R121 HydrophobicContact CG1-CB 4.23Å; V86-R121 WeakPolarHBondContact CG1-O 3.44Å; V86-Y122 HydrophobicContact CB-CD1 4.23Å; V86-Y122 HydrophobicContact CB-CE1 4.35Å; V86-Y122 HydrophobicContact CG1-CD1 4.22Å; V86-Y122 HydrophobicContact CG1-CE1 4.18Å; V86-Y122 HydrophobicContact CG2-CD1 3.69Å; V86-Y122 HydrophobicContact CG2-CE1 3.5Å
87E54Low58.3Low146 Ų14674.4 Ų74.468%0.68238%0.375SS*.SBendtrans-53.9131162.4-73.2-169.716300107.3R121 T123E87-R121 PolarHBondContact N-O 3.39Å; E87-T123 HydrophobicContact CG-CG2 4.03Å
88E51.9Low57.9Low185 Ų18575 Ų7586%0.86438%0.379SS*.SBendtrans-32.1145.4-158.6-67-179.9156.900117.9V86V86-E88 PolarHBondContact O-N 3.11Å
89P49.2Very low57.2Low104 Ų10478 Ų7868%0.67539%0.393SS*.SBendcis-91.8142.53.933.6-27.2000110.8Q91P89-Q91 PolarHBondContact O-N 2.76Å
90Q47.6Very low56.4Low159 Ų15977.2 Ų77.274%0.74339%0.389SS*.  trans-44.1101174.1-71.7172.9-18.400110.4
91Q48.8Very low55.5Low145 Ų14580.3 Ų80.368%0.67841%0.405SS*.  trans-84.7133176.6-109.4179.4-13.700110V86 P89V86-Q91 HydrophobicContact CG2-CB 4.19Å; P89-Q91 PolarHBondContact O-N 2.76Å
92E51.5Low54.8Low183 Ų18378.5 Ų78.586%0.85540%0.397SS*.  trans-74.1143.9-154.8-7117614500115.5L94E92-L94 PolarHBondContact O-N 2.81Å
93L53.2Low53.6Low88 Ų8883.8 Ų83.846%0.46143%0.429SS..  trans-4.4109153.7-74.1138.1000116.4E81 I82 N95E81-L93 HydrophobicContact CB-CD2 3.98Å; I82-L93 WeakPolarHBondContact O-CA 3.25Å; L93-N95 PolarHBondContact O-N 2.87Å
94L55.3Low52.6Low67 Ų6791.7 Ų91.735%0.35146%0.46SS..EExtended strand (participates in β ladder)trans-77.1100.7157.1-16995.8000107.5I82 E92I82-L94 HydrophobicContact CB-CB 4.42Å; I82-L94 HydrophobicContact CD1-CD2 4.3Å; I82-L94 PolarHBondContact N-O 3.02Å; I82-L94 PolarHBondContact O-N 2.8Å; E92-L94 PolarHBondContact O-N 2.81Å
95N50.5Low52Low89 Ų8992.2 Ų92.248%0.47647%0.472SS..EExtended strand (participates in β ladder)trans-90.3115.7172.4-72.8-6.3000109.3E81 L93E81-N95 WeakPolarHBondContact CB-OD1 3.43Å; E81-N95 WeakPolarHBondContact CG-OD1 3.46Å; L93-N95 PolarHBondContact O-N 2.87Å
96K56.1Low51.9Low81 Ų8193.4 Ų93.435%0.35248%0.48SS..EExtended strand (participates in β ladder)trans-122.5111.2173.5-164.3176.4179.2-172.90109.5L80 I98 E111 A112L80-K96 PolarHBondContact N-O 3.17Å; L80-K96 PolarHBondContact O-N 2.79Å; K96-I98 HydrophobicContact CD-CD1 3.9Å; K96-I98 HydrophobicContact CD-CG1 4.3Å; K96-I98 HydrophobicContact CG-CD1 4.08Å; K96-I98 HydrophobicContact CG-CG1 3.96Å; K96-E111 WeakPolarHBondContact CE-O 3.48Å; K96-E111 PolarHBondContact NZ-O 2.82Å; K96-A112 HydrophobicContact CD-CB 3.86Å
97V50.4Low52.7Low64 Ų6494.9 Ų94.939%0.38849%0.485SS..EExtended strand (participates in β ladder)trans-85.4129.1170.7-177.10000108.5L79 H99L79-V97 HydrophobicContact CD1-CG2 3.54Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.33Å
98I59.2Low53.8Low29 Ų2994.8 Ų94.815%0.14948%0.479CS..EExtended strand (participates in β ladder)trans-131.7121.7178.2-52.7-179.5000109V78 K96 L100 A110 E111V78-I98 PolarHBondContact N-O 3.1Å; V78-I98 CarbonylContact O-C 3.57Å; V78-I98 PolarHBondContact O-N 2.84Å; K96-I98 HydrophobicContact CD-CD1 3.9Å; K96-I98 HydrophobicContact CD-CG1 4.3Å; K96-I98 HydrophobicContact CG-CD1 4.08Å; K96-I98 HydrophobicContact CG-CG1 3.96Å; I98-L100 HydrophobicContact CB-CD1 4.37Å; I98-L100 HydrophobicContact CG2-CD1 3.91Å; I98-L100 HydrophobicContact CG2-CD2 4.02Å; I98-L100 HydrophobicContact CG2-CG 3.97Å; I98-A110 HydrophobicContact CB-CB 4.09Å; I98-A110 HydrophobicContact CD1-CB 4.03Å; I98-A110 HydrophobicContact CG2-CB 4.35Å; I98-E111 VanDerWaalsContact CD1-C 3.46Å; I98-E111 VanDerWaalsContact CD1-N 3.25Å; I98-E111 WeakPolarHBondContact CD1-O 3.47Å
99H51.7Low55Low61 Ų6186.4 Ų86.428%0.28244%0.44SS..EExtended strand (participates in β ladder)trans-99.8132.1-177.4-59.7-54.8000111.4K77 V97K77-H99 VanDerWaalsContact CD-CE1 3.45Å; K77-H99 WeakPolarHBondContact CD-CE1 3.18Å; K77-H99 WeakPolarHBondContact CD-ND1 2.86Å; K77-H99 VanDerWaalsContact CG-ND1 3.29Å; K77-H99 WeakPolarHBondContact CG-ND1 2.73Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.33Å
100L56.3Low56.2Low35 Ų3581.5 Ų81.518%0.18341%0.408CS..EExtended strand (participates in β ladder)trans-142.2134.7-162.8-63.7147000112.2G76 V78 I98 I109 A110G76-L100 PolarHBondContact N-O 2.97Å; G76-L100 PolarHBondContact O-N 2.77Å; V78-L100 HydrophobicContact CB-CD1 4.03Å; V78-L100 HydrophobicContact CG2-CD1 3.65Å; I98-L100 HydrophobicContact CB-CD1 4.37Å; I98-L100 HydrophobicContact CG2-CD1 3.91Å; I98-L100 HydrophobicContact CG2-CD2 4.02Å; I98-L100 HydrophobicContact CG2-CG 3.97Å; L100-I109 HydrophobicContact CB-CB 4.49Å; L100-I109 HydrophobicContact CD1-CB 3.79Å; L100-I109 WeakPolarHBondContact CD1-O 2.95Å; L100-I109 WeakPolarHBondContact CD2-O 3.18Å; L100-I109 HydrophobicContact CG-CB 4.49Å; L100-I109 WeakPolarHBondContact CG-O 3.33Å; L100-A110 HydrophobicContact CD1-CB 3.85Å
101N49.2Very low57.8Low64 Ų6477.5 Ų77.534%0.34239%0.389SS..EExtended strand (participates in β ladder)trans-120.6124172.3-158.53.4000107.9L208N101-L208 HydrophobicContact CB-CD1 3.97Å
102K51.7Low59.1Low16 Ų1670.6 Ų70.67%0.0736%0.357CS..  trans-94.1136.5-173-165.5-172.1-179.4175.20111.5S67 L68 F74 G105 E107S67-K102 PolarHBondContact OG-NZ 2.8Å; L68-K102 PolarHBondContact O-NZ 2.92Å; F74-K102 HydrophobicContact CB-CB 4.01Å; F74-K102 HydrophobicContact CB-CD 3.94Å; F74-K102 HydrophobicContact CD1-CB 4.14Å; F74-K102 WeakPolarHBondContact O-CB 3.21Å; F74-K102 PolarHBondContact O-N 3.1Å; K102-G105 WeakPolarHBondContact CE-O 3.25Å; K102-G105 PolarHBondContact NZ-O 2.92Å; K102-E107 WeakPolarHBondContact CA-OE2 3.43Å; K102-E107 HydrophobicContact CG-CB 4.18Å; K102-E107 HydrophobicContact CG-CG 4.33Å; K102-E107 WeakPolarHBondContact CG-OE2 3.44Å
103T44.8Very low60.4Low112 Ų11264.8 Ų64.869%0.68733%0.334SS*.  trans-118.375.917247.60000111.8E107T103-E107 VanDerWaalsContact C-OE1 3.28Å; T103-E107 PolarHBondContact N-OE1 3.26Å; T103-E107 PolarHBondContact N-OE2 2.87Å; T103-E107 PolarHBondContact OG1-OE1 3.47Å
104K46.2Very low61.5Low196 Ų19660.9 Ų60.985%0.85231%0.313SS*.SBendtrans46.6105.5173.4-72.4-172.5177.1-178.40116.2
105G52Low62.1Low34 Ų3460.5 Ų60.535%0.35132%0.315SS..SBendtrans154.3-172169.800000114K102 E107K102-G105 WeakPolarHBondContact CE-O 3.25Å; K102-G105 PolarHBondContact NZ-O 2.92Å; G105-E107 PolarHBondContact O-N 2.95Å
106V56.1Low63Low86 Ų8659.8 Ų59.852%0.52131%0.309SS..SBendtrans-78.595.6156.5-176.70000106Y66 S67 P69Y66-V106 HydrophobicContact CD1-CG1 4.07Å; S67-V106 WeakPolarHBondContact O-CA 2.84Å; P69-V106 HydrophobicContact CG-CG2 3.49Å; P69-V106 VanDerWaalsContact CG-CG2 3.49Å
107E71.6Confident63.4Low49 Ų4956.9 Ų56.923%0.22930%0.297CS..EExtended strand (participates in β ladder)trans-103.1135.2179-71.6-173.1165.100108.9S67 K102 T103 G105 I109S67-E107 PolarHBondContact N-O 2.76Å; S67-E107 PolarHBondContact O-N 3.38Å; K102-E107 WeakPolarHBondContact CA-OE2 3.43Å; K102-E107 HydrophobicContact CG-CB 4.18Å; K102-E107 HydrophobicContact CG-CG 4.33Å; K102-E107 WeakPolarHBondContact CG-OE2 3.44Å; T103-E107 VanDerWaalsContact C-OE1 3.28Å; T103-E107 PolarHBondContact N-OE1 3.26Å; T103-E107 PolarHBondContact N-OE2 2.87Å; T103-E107 PolarHBondContact OG1-OE1 3.47Å; G105-E107 PolarHBondContact O-N 2.95Å; E107-I109 PolarHBondContact O-N 3.16Å; E107-I109 VanDerWaalsContact O-N 3.1Å
108R77.3Confident64Low144 Ų14460.2 Ų60.254%0.54331%0.308SS..EExtended strand (participates in β ladder)trans-60.6111.9161.2-62.7-179.2-173.8-175.80.7105.3T64 Y66T64-R108 HydrophobicContact CG2-CB 3.87Å; T64-R108 HydrophobicContact CG2-CG 3.72Å; Y66-R108 HydrophobicContact CD1-CG 4.01Å; Y66-R108 HydrophobicContact CE1-CG 3.51Å
109I76.4Confident63.8Low9 Ų961.7 Ų61.75%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-88.2-66.5176.862.1167.2000106.3F43 L65 F74 V78 L100 E107F43-I109 HydrophobicContact CD1-CD1 3.56Å; F43-I109 HydrophobicContact CE1-CD1 3.63Å; L65-I109 HydrophobicContact CB-CG1 4.02Å; L65-I109 HydrophobicContact CD2-CD1 3.44Å; L65-I109 VanDerWaalsContact CD2-CD1 3.44Å; L65-I109 HydrophobicContact CD2-CG1 3.69Å; L65-I109 HydrophobicContact CG-CD1 3.71Å; L65-I109 HydrophobicContact CG-CG1 3.59Å; L65-I109 WeakPolarHBondContact O-CG1 3.3Å; L65-I109 PolarHBondContact O-N 2.63Å; F74-I109 HydrophobicContact CE1-CD1 4.39Å; V78-I109 HydrophobicContact CG2-CD1 4.1Å; L100-I109 HydrophobicContact CB-CB 4.49Å; L100-I109 HydrophobicContact CD1-CB 3.79Å; L100-I109 WeakPolarHBondContact CD1-O 2.95Å; L100-I109 WeakPolarHBondContact CD2-O 3.18Å; L100-I109 HydrophobicContact CG-CB 4.49Å; L100-I109 WeakPolarHBondContact CG-O 3.33Å; E107-I109 PolarHBondContact O-N 3.16Å; E107-I109 VanDerWaalsContact O-N 3.1Å
110A75.5Confident63.8Low0 Ų067.5 Ų67.50%035%0.351CS..EExtended strand (participates in β ladder)trans-111152-17700000112.6T64 L65 V78 L80 I98 L100T64-A110 CarbonylContact C-O 3.55Å; T64-A110 VanDerWaalsContact CA-O 3.3Å; T64-A110 WeakPolarHBondContact CA-O 3.35Å; L65-A110 HydrophobicContact CB-CB 3.84Å; L65-A110 HydrophobicContact CD2-CB 4.26Å; L65-A110 PolarHBondContact N-O 3.1Å; L65-A110 PolarHBondContact O-N 2.97Å; L65-A110 VanDerWaalsContact O-N 3.17Å; V78-A110 HydrophobicContact CB-CB 4.02Å; V78-A110 HydrophobicContact CG1-CB 3.68Å; V78-A110 HydrophobicContact CG2-CB 4.41Å; L80-A110 HydrophobicContact CD1-CB 3.79Å; L80-A110 HydrophobicContact CG-CB 4.34Å; I98-A110 HydrophobicContact CB-CB 4.09Å; I98-A110 HydrophobicContact CD1-CB 4.03Å; I98-A110 HydrophobicContact CG2-CB 4.35Å; L100-A110 HydrophobicContact CD1-CB 3.85Å
111E79.5Confident63.8Low75 Ų7574.8 Ų74.835%0.3538%0.376SS..EExtended strand (participates in β ladder)trans-141.5121.7175.4-168.917695.100112.7I62 L63 K96 I98I62-E111 VanDerWaalsContact CG2-CD 3.46Å; I62-E111 HydrophobicContact CG2-CG 3.32Å; L63-E111 CarbonylContact O-C 3.42Å; L63-E111 VanDerWaalsContact O-CA 3.3Å; L63-E111 WeakPolarHBondContact O-CA 3.38Å; K96-E111 WeakPolarHBondContact CE-O 3.48Å; K96-E111 PolarHBondContact NZ-O 2.82Å; I98-E111 VanDerWaalsContact CD1-C 3.46Å; I98-E111 VanDerWaalsContact CD1-N 3.25Å; I98-E111 WeakPolarHBondContact CD1-O 3.47Å
112A77.7Confident64.2Low0 Ų074.8 Ų74.80%037%0.372CS..EExtended strand (participates in β ladder)trans-122.7130.2176.600000111L63 L80 I82 K96L63-A112 HydrophobicContact CB-CB 4.46Å; L63-A112 PolarHBondContact N-O 3.41Å; L63-A112 PolarHBondContact O-N 3.46Å; L80-A112 HydrophobicContact CD1-CB 4.16Å; I82-A112 HydrophobicContact CD1-CB 3.79Å; K96-A112 HydrophobicContact CD-CB 3.86Å
113T77.2Confident64.7Low62 Ų6276.2 Ų76.238%0.3838%0.382SS..EExtended strand (participates in β ladder)trans-83.3124.3169.2-48.20000108.1D60 R61D60-T113 HydrophobicContact CB-CG2 4.43Å; R61-T113 CarbonylContact O-C 3.5Å; R61-T113 WeakPolarHBondContact O-CA 3.48Å
114L77.2Confident66.4Low5 Ų573.4 Ų73.43%0.02636%0.363CS..EExtended strand (participates in β ladder)trans-81.5143.6177.9-49.9-174.6000109.8L47 R61 L63 I82 Y84 L126L47-L114 HydrophobicContact CD1-CD1 3.55Å; L47-L114 HydrophobicContact CD1-CG 4.33Å; L47-L114 HydrophobicContact CD2-CD1 4.39Å; R61-L114 HydrophobicContact CB-CB 3.78Å; R61-L114 HydrophobicContact CB-CD1 4.09Å; R61-L114 HydrophobicContact CB-CG 4.03Å; R61-L114 PolarHBondContact O-N 2.87Å; L63-L114 HydrophobicContact CB-CD2 3.99Å; I82-L114 HydrophobicContact CD1-CD2 3.36Å; I82-L114 HydrophobicContact CG2-CD2 4.09Å; Y84-L114 VanDerWaalsContact OH-CB 3.25Å; Y84-L114 WeakPolarHBondContact OH-CB 3.37Å; Y84-L114 VanDerWaalsContact OH-CD1 3.27Å; Y84-L114 WeakPolarHBondContact OH-CD1 3.49Å; Y84-L114 WeakPolarHBondContact OH-CD2 3.29Å; Y84-L114 WeakPolarHBondContact OH-CG 3.35Å; L114-L126 HydrophobicContact CD1-CD2 3.92Å
115P68.6Low68.1Low59 Ų5966.4 Ų66.438%0.38334%0.336SS..PPolyproline II helixtrans-63160175.327.5-34.4000111.8R61 Y84 L117R61-P115 PolarHBondContact NH1-O 2.75Å; R61-P115 VanDerWaalsContact NH1-O 3.14Å; Y84-P115 HydrophobicContact CE2-CG 4.1Å; P115-L117 HydrophobicContact CG-CD2 4.45Å; P115-L117 PolarHBondContact O-N 3.1Å
116H68.6Low69.6Low74 Ų7464.8 Ų64.834%0.34332%0.32SS..  trans-68.598.4171.8-66.1-48.6000111.1P58 H118P58-H116 HydrophobicContact CG-CB 4.49Å; P58-H116 PolarHBondContact O-CE1 3.39Å; H116-H118 PolarHBondContact O-N 3.06Å
117L65.1Low70.9Confident21 Ų2161.2 Ų61.211%0.1130%0.298CS..  trans-73.6114166-48.4171.7000109.3F15 R61 Y84 P115 A119 Y122F15-L117 HydrophobicContact CD1-CD1 4.15Å; F15-L117 HydrophobicContact CE1-CD1 3.73Å; R61-L117 PolarHBondContact NH2-O 3.42Å; Y84-L117 HydrophobicContact CD1-CD1 3.29Å; Y84-L117 HydrophobicContact CD1-CD2 3.66Å; Y84-L117 HydrophobicContact CD1-CG 4.07Å; Y84-L117 HydrophobicContact CD2-CD2 4.02Å; Y84-L117 HydrophobicContact CE1-CD1 3.28Å; Y84-L117 HydrophobicContact CE1-CD2 3.97Å; Y84-L117 HydrophobicContact CE1-CG 4.08Å; Y84-L117 HydrophobicContact CE2-CD2 4.33Å; Y84-L117 HydrophobicContact CG-CD1 4.2Å; Y84-L117 HydrophobicContact CG-CD2 3.68Å; P115-L117 HydrophobicContact CG-CD2 4.45Å; P115-L117 PolarHBondContact O-N 3.1Å; L117-A119 PolarHBondContact O-N 3.05Å; L117-Y122 HydrophobicContact CB-CD2 4.14Å; L117-Y122 HydrophobicContact CB-CE1 4.34Å; L117-Y122 HydrophobicContact CB-CE2 3.9Å; L117-Y122 HydrophobicContact CD2-CD1 4.17Å; L117-Y122 HydrophobicContact CD2-CE1 3.64Å
118H61.7Low71.5Confident134 Ų13458.9 Ų58.962%0.6229%0.287SS*.  trans-74114171.3-67.3-67.4000111.7H116 H120 R121 Y122H116-H118 PolarHBondContact O-N 3.06Å; H118-H120 PolarHBondContact O-N 2.87Å; H118-R121 PolarHBondContact O-N 3.22Å; H118-Y122 HydrophobicContact CB-CE2 4.21Å; H118-Y122 WeakPolarHBondContact O-CD2 3.3Å; H118-Y122 WeakPolarHBondContact O-CE2 3.5Å
119A55Low71.8Confident60 Ų6054.8 Ų54.850%0.49628%0.276SS..THydrogen-bonded Turntrans-46-11.9-173.300000118.8L117L117-A119 PolarHBondContact O-N 3.05Å
120H52.6Low72.2Confident182 Ų18254.5 Ų54.584%0.84327%0.274SS*.THydrogen-bonded Turntrans-99.11.4-172.3-60.788.1000115.7H118H118-H120 PolarHBondContact O-N 2.87Å
121R55.2Low72.5Confident188 Ų18855.2 Ų55.271%0.70928%0.279SS*.SBendtrans-1322.6-174.6-68.9-168.5179.7-179.50.5116V86 E87 H118V86-R121 HydrophobicContact CG1-CB 4.23Å; V86-R121 WeakPolarHBondContact CG1-O 3.44Å; E87-R121 PolarHBondContact N-O 3.39Å; H118-R121 PolarHBondContact O-N 3.22Å
122Y58.5Low72.6Confident64 Ų6451.7 Ų51.725%0.25126%0.262SS..EExtended strand (participates in β ladder)trans-108.3139.4-171.9-57.2-89000109.5V86 L117 H118 D124V86-Y122 HydrophobicContact CB-CD1 4.23Å; V86-Y122 HydrophobicContact CB-CE1 4.35Å; V86-Y122 HydrophobicContact CG1-CD1 4.22Å; V86-Y122 HydrophobicContact CG1-CE1 4.18Å; V86-Y122 HydrophobicContact CG2-CD1 3.69Å; V86-Y122 HydrophobicContact CG2-CE1 3.5Å; L117-Y122 HydrophobicContact CB-CD2 4.14Å; L117-Y122 HydrophobicContact CB-CE1 4.34Å; L117-Y122 HydrophobicContact CB-CE2 3.9Å; L117-Y122 HydrophobicContact CD2-CD1 4.17Å; L117-Y122 HydrophobicContact CD2-CE1 3.64Å; H118-Y122 HydrophobicContact CB-CE2 4.21Å; H118-Y122 WeakPolarHBondContact O-CD2 3.3Å; H118-Y122 WeakPolarHBondContact O-CE2 3.5Å; Y122-D124 PolarHBondContact O-N 2.96Å
123T63Low72.5Confident46 Ų4652.9 Ų52.928%0.28227%0.27SS..EExtended strand (participates in β ladder)trans-58.3140.1152.968.70000106.2V85 E87 V125V85-T123 HydrophobicContact CB-CG2 4.48Å; V85-T123 WeakPolarHBondContact CB-OG1 3.17Å; V85-T123 HydrophobicContact CG1-CG2 3.78Å; V85-T123 WeakPolarHBondContact CG1-OG1 3.37Å; V85-T123 WeakPolarHBondContact O-CB 3.3Å; V85-T123 PolarHBondContact O-N 3.16Å; V85-T123 PolarHBondContact O-OG1 3.37Å; E87-T123 HydrophobicContact CG-CG2 4.03Å; T123-V125 PolarHBondContact O-N 3.12Å
124D78.6Confident72.4Confident54 Ų5449.9 Ų49.929%0.28925%0.252SS..EExtended strand (participates in β ladder)trans-75.942.6-170.3-157.613.5000112.1E13 H14 F15 H16 Y122E13-D124 CarbonylContact C-O 3.58Å; H14-D124 VanDerWaalsContact C-CG 3.49Å; H14-D124 VanDerWaalsContact CA-CG 3.47Å; H14-D124 WeakPolarHBondContact CA-O 3.39Å; H14-D124 WeakPolarHBondContact CA-OD2 3.33Å; H14-D124 PolarHBondContact N-O 2.84Å; H14-D124 IonicContact ND1-OD2 3.39Å; F15-D124 PolarHBondContact N-O 2.97Å; F15-D124 PolarHBondContact N-OD1 2.8Å; H16-D124 WeakPolarHBondContact CB-OD1 3.35Å; H16-D124 PolarHBondContact N-OD1 3.3Å; Y122-D124 PolarHBondContact O-N 2.96Å
125V82.6Confident71.9Confident48 Ų4851.2 Ų51.229%0.29126%0.256SS..EExtended strand (participates in β ladder)trans-135.3117.6-170.9-175.10000110.5I11 I12 T123I11-V125 HydrophobicContact CG2-CG1 3.61Å; I12-V125 WeakPolarHBondContact O-CA 3.34Å; T123-V125 PolarHBondContact O-N 3.12Å
126L83.3Confident71.4Confident1 Ų151.6 Ų51.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-102.3127.7169.2161.852.9000109.6I11 I12 F15 L47 I82 S83 Y84 L114 V128I11-L126 WeakPolarHBondContact CA-O 3.35Å; I12-L126 HydrophobicContact CB-CB 4.3Å; I12-L126 HydrophobicContact CD1-CD2 4.04Å; I12-L126 HydrophobicContact CD1-CG 4.4Å; I12-L126 PolarHBondContact N-O 2.84Å; I12-L126 PolarHBondContact O-N 2.84Å; F15-L126 HydrophobicContact CB-CB 4.45Å; F15-L126 HydrophobicContact CD2-CB 3.76Å; F15-L126 HydrophobicContact CD2-CD2 3.89Å; F15-L126 HydrophobicContact CD2-CG 4.44Å; F15-L126 HydrophobicContact CE2-CB 4.17Å; F15-L126 HydrophobicContact CE2-CD2 3.4Å; F15-L126 HydrophobicContact CE2-CG 4.4Å; F15-L126 HydrophobicContact CG-CB 4.01Å; F15-L126 HydrophobicContact CZ-CD2 3.82Å; L47-L126 HydrophobicContact CD2-CD2 4.4Å; I82-L126 HydrophobicContact CG2-CD1 3.74Å; S83-L126 WeakPolarHBondContact O-CD1 3.16Å; Y84-L126 HydrophobicContact CD1-CB 4.21Å; Y84-L126 HydrophobicContact CD1-CD1 3.47Å; Y84-L126 VanDerWaalsContact CD1-CD1 3.47Å; Y84-L126 HydrophobicContact CD1-CG 4.28Å; Y84-L126 HydrophobicContact CE1-CB 4.17Å; Y84-L126 HydrophobicContact CE1-CD1 3.02Å; Y84-L126 HydrophobicContact CE1-CD2 3.85Å; Y84-L126 HydrophobicContact CE1-CG 3.82Å; Y84-L126 HydrophobicContact CE2-CD1 4.42Å; Y84-L126 HydrophobicContact CG-CD1 4.32Å; L114-L126 HydrophobicContact CD1-CD2 3.92Å; L126-V128 HydrophobicContact CD1-CG2 3.98Å; L126-V128 HydrophobicContact CD2-CG2 4.37Å; L126-V128 HydrophobicContact CG-CG2 4.09Å
127T84.1Confident70.4Confident11 Ų1152.5 Ų52.57%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-112.7121.6173.3-62.70000110.7R9 W10 I11 S83R9-T127 HydrophobicContact CG-CG2 4.09Å; W10-T127 WeakPolarHBondContact O-CA 3.4Å; I11-T127 HydrophobicContact CG1-CG2 4.44Å; S83-T127 PolarHBondContact N-O 2.71Å; S83-T127 PolarHBondContact O-N 2.74Å; S83-T127 PolarHBondContact OG-O 3.28Å
128V84.1Confident69.1Low0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-108.8121.3174.7-175.60000108.6R9 W10 M45 L63 I82 L126R9-V128 WeakPolarHBondContact CA-O 2.82Å; W10-V128 HydrophobicContact CB-CB 4.33Å; W10-V128 HydrophobicContact CE3-CB 4.4Å; W10-V128 HydrophobicContact CE3-CG2 4.17Å; W10-V128 PolarHBondContact N-O 2.81Å; W10-V128 PolarHBondContact O-N 2.83Å; M45-V128 HydrophobicContact CE-CG1 4.24Å; M45-V128 HydrophobicContact SD-CG1 3.73Å; L63-V128 HydrophobicContact CD2-CG1 3.54Å; L63-V128 HydrophobicContact CD2-CG2 4.26Å; I82-V128 HydrophobicContact CG2-CG2 4.33Å; L126-V128 HydrophobicContact CD1-CG2 3.98Å; L126-V128 HydrophobicContact CD2-CG2 4.37Å; L126-V128 HydrophobicContact CG-CG2 4.09Å
129L84.1Confident67.6Low58 Ų5856.2 Ų56.230%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-102.5123.1169.4-65.4173.6000108.6R9 E81R9-L129 HydrophobicContact CB-CD2 3.68Å; R9-L129 HydrophobicContact CG-CD2 3.63Å; E81-L129 HydrophobicContact CB-CB 4.14Å; E81-L129 PolarHBondContact N-O 2.97Å; E81-L129 WeakPolarHBondContact O-CA 2.94Å; E81-L129 PolarHBondContact O-N 2.84Å; E81-L129 VanDerWaalsContact O-O 3.05Å
130C84.8Confident66.2Low2 Ų256.7 Ų56.71%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-117.8124.8178.5175.70000108.9K7 H8 F34 M45 L80K7-C130 CarbonylContact C-O 3.54Å; K7-C130 WeakPolarHBondContact CA-O 3.45Å; H8-C130 PolarHBondContact N-O 3.36Å; H8-C130 PolarHBondContact O-N 2.93Å; F34-C130 HydrophobicContact CZ-CB 4.48Å; M45-C130 HydrophobicContact CE-CB 4.41Å; M45-C130 HydrophobicContact SD-CB 3.73Å; L80-C130 HydrophobicContact CD2-CB 3.78Å
131T81.7Confident65.1Low16 Ų1654 Ų5410%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-115.8120.3170.3-59.70000108.7E5 V6 K7 L79E5-T131 HydrophobicContact CG-CG2 3.77Å; V6-T131 CarbonylContact O-C 3.57Å; V6-T131 WeakPolarHBondContact O-CA 3.45Å; K7-T131 HydrophobicContact CG-CG2 4.25Å; L79-T131 PolarHBondContact N-O 2.97Å; L79-T131 PolarHBondContact O-N 2.9Å
132V81.5Confident63.9Low0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-110.7118.1174.3-172.70000108.4E5 V6 F34 F43 L65 F74 V78 I134E5-V132 WeakPolarHBondContact CA-O 3.29Å; V6-V132 HydrophobicContact CG1-CB 3.63Å; V6-V132 HydrophobicContact CG1-CG2 4.17Å; V6-V132 PolarHBondContact N-O 3.07Å; V6-V132 PolarHBondContact O-N 3.31Å; F34-V132 HydrophobicContact CE2-CG2 4.32Å; F43-V132 HydrophobicContact CE1-CG1 4.11Å; F43-V132 HydrophobicContact CE2-CG1 4.33Å; F43-V132 HydrophobicContact CZ-CB 4.46Å; F43-V132 HydrophobicContact CZ-CG1 3.81Å; L65-V132 HydrophobicContact CD2-CG2 3.85Å; F74-V132 HydrophobicContact CE2-CG1 4.32Å; F74-V132 HydrophobicContact CZ-CG1 3.85Å; V78-V132 HydrophobicContact CG1-CG2 4.43Å; V78-V132 HydrophobicContact CG2-CG1 4.07Å; V78-V132 HydrophobicContact CG2-CG2 4.27Å; V132-I134 HydrophobicContact CG1-CG1 4.13Å
133T75.8Confident62.5Low25 Ų2550 Ų5015%0.15327%0.268CS..EExtended strand (participates in β ladder)trans-102.5109.3175.4-50.50000108.8F3 G76 K77 Y135F3-T133 HydrophobicContact CB-CG2 4.32Å; F3-T133 HydrophobicContact CD2-CG2 4.08Å; F3-T133 HydrophobicContact CG-CG2 4.47Å; G76-T133 CarbonylContact C-O 3.53Å; G76-T133 WeakPolarHBondContact CA-O 3.41Å; K77-T133 PolarHBondContact N-O 2.85Å; K77-T133 PolarHBondContact O-N 3.3Å; T133-Y135 HydrophobicContact CG2-CD1 4.33Å; T133-Y135 HydrophobicContact CG2-CE1 3.66Å
134I74.3Confident61.2Low0 Ų055.6 Ų55.60%029%0.288CS..EExtended strand (participates in β ladder)trans-95.1124.5-177.7-44.4-156.9000109.2F3 A4 T36 Y41 F43 F74 V132F3-I134 CarbonylContact C-O 3.51Å; F3-I134 WeakPolarHBondContact CA-O 3.1Å; F3-I134 WeakPolarHBondContact CB-O 3.36Å; A4-I134 HydrophobicContact CB-CB 4.3Å; A4-I134 PolarHBondContact N-O 3.16Å; A4-I134 PolarHBondContact O-N 2.83Å; T36-I134 HydrophobicContact CG2-CD1 3.3Å; T36-I134 HydrophobicContact CG2-CG1 4.18Å; Y41-I134 HydrophobicContact CD2-CD1 3.34Å; Y41-I134 HydrophobicContact CD2-CG2 4.1Å; Y41-I134 HydrophobicContact CE2-CD1 4.07Å; Y41-I134 HydrophobicContact CE2-CG2 3.73Å; Y41-I134 HydrophobicContact CG-CD1 3.62Å; F43-I134 HydrophobicContact CE2-CD1 4.06Å; F43-I134 HydrophobicContact CZ-CD1 3.68Å; F74-I134 HydrophobicContact CD2-CB 4.36Å; F74-I134 HydrophobicContact CD2-CD1 3.96Å; F74-I134 HydrophobicContact CD2-CG1 4.25Å; F74-I134 HydrophobicContact CD2-CG2 3.63Å; F74-I134 HydrophobicContact CE2-CB 3.79Å; F74-I134 HydrophobicContact CE2-CD1 3.63Å; F74-I134 HydrophobicContact CE2-CG1 3.51Å; F74-I134 HydrophobicContact CE2-CG2 3.54Å; F74-I134 HydrophobicContact CZ-CG1 4.41Å; V132-I134 HydrophobicContact CG1-CG1 4.13Å
135Y66.1Low59.1Low32 Ų3260.3 Ų60.313%0.12531%0.309CS..EExtended strand (participates in β ladder)trans-96114.2173.2-58.7-49.1000108.9M1 F3 S75 K77 T133 Q137 F176M1-Y135 HydrophobicContact CE-CD1 3.17Å; M1-Y135 HydrophobicContact CE-CD2 4.01Å; M1-Y135 HydrophobicContact CE-CE1 3.64Å; M1-Y135 HydrophobicContact CE-CE2 4.36Å; M1-Y135 HydrophobicContact CE-CG 3.39Å; M1-Y135 HydrophobicContact CG-CD1 4.49Å; M1-Y135 HydrophobicContact SD-CD1 4Å; M1-Y135 HydrophobicContact SD-CE1 4.19Å; F3-Y135 HydrophobicContact CB-CD1 4.01Å; F3-Y135 HydrophobicContact CB-CE1 4.35Å; S75-Y135 PolarHBondContact O-N 3Å; K77-Y135 HydrophobicContact CD-CE2 4.1Å; K77-Y135 VanDerWaalsContact CD-OH 3.25Å; K77-Y135 WeakPolarHBondContact CD-OH 3.45Å; K77-Y135 WeakPolarHBondContact CE-OH 3.5Å; K77-Y135 HydrophobicContact CG-CE2 3.67Å; T133-Y135 HydrophobicContact CG2-CD1 4.33Å; T133-Y135 HydrophobicContact CG2-CE1 3.66Å; Y135-Q137 PolarHBondContact O-N 3.11Å; Y135-F176 AromaticContact CE2-CE1 4Å; Y135-F176 HydrophobicContact CE2-CE1 4Å
136R59Low56.8Low67 Ų6765.7 Ų65.725%0.25334%0.335SS..  trans-69.7116.1170.6-68.5-173.6-175.8159.36.1108E2 D38 V138E2-R136 PolarHBondContact O-N 2.78Å; E2-R136 IonicContact OE2-CZ 2.87Å; E2-R136 IonicContact OE2-NH1 3.82Å; E2-R136 PolarHBondContact OE2-NH1 3.41Å; D38-R136 IonicContact OD2-CZ 2.76Å; D38-R136 IonicContact OD2-NH2 2.75Å; D38-R136 PolarHBondContact OD2-NH2 2.86Å; R136-V138 PolarHBondContact O-N 3Å; R136-V138 VanDerWaalsContact O-N 3.08Å
137Q48.4Very low54.5Low94 Ų9470.2 Ų70.244%0.43936%0.359SS..  trans-68.1102.9162.6-78.3-179.3-20.600107.2Y135 F139Y135-Q137 PolarHBondContact O-N 3.11Å; Q137-F139 HydrophobicContact CB-CD2 4.27Å; Q137-F139 HydrophobicContact CB-CE2 3.75Å; Q137-F139 HydrophobicContact CB-CZ 3.97Å; Q137-F139 HydrophobicContact CG-CZ 4.39Å; Q137-F139 PolarHBondContact O-N 3.5Å
138V35.9Very low52.2Low82 Ų8274.5 Ų74.550%0.49739%0.387SS..  trans-85.3100.1166.2-176.80000105.7R136 T140R136-V138 PolarHBondContact O-N 3Å; R136-V138 VanDerWaalsContact O-N 3.08Å; V138-T140 PolarHBondContact O-N 3.36Å
139F31.4Very low50.2Low151 Ų15181.3 Ų81.366%0.66243%0.428SS*.  trans-79.6100.6168.1-62.1-78.1000107.6Q137Q137-F139 HydrophobicContact CB-CD2 4.27Å; Q137-F139 HydrophobicContact CB-CE2 3.75Å; Q137-F139 HydrophobicContact CB-CZ 3.97Å; Q137-F139 HydrophobicContact CG-CZ 4.39Å; Q137-F139 PolarHBondContact O-N 3.5Å
140T26.2Very low48.3Very low70 Ų7085.1 Ų85.143%0.42945%0.449SS..  trans-87.9127.5156.1-10.10000106.1V138 C142 A167 T169V138-T140 PolarHBondContact O-N 3.36Å; T140-C142 PolarHBondContact O-N 3.11Å; T140-A167 PolarHBondContact OG1-O 2.81Å; T140-T169 VanDerWaalsContact CB-CG2 3.46Å; T140-T169 WeakPolarHBondContact O-CB 3.09Å; T140-T169 WeakPolarHBondContact O-CG2 3.41Å
141V28.6Very low46.2Very low124 Ų12491.8 Ų91.875%0.75249%0.489SS*.  trans-78117.9169.1178.70000105.5D143V141-D143 PolarHBondContact O-N 2.83Å; V141-D143 VanDerWaalsContact O-N 3.17Å
142C30Very low44.7Very low42 Ų4299.7 Ų99.728%0.28453%0.525SS..  trans-74.9102162.9-87.60000106.4T140 F144 T169T140-C142 PolarHBondContact O-N 3.11Å; C142-F144 WeakPolarHBondContact O-CD2 3.46Å; C142-F144 PolarHBondContact O-N 2.9Å; C142-T169 PolarHBondContact SG-OG1 3.34Å
143D30Very low43.3Very low126 Ų126104.9 Ų104.967%0.67455%0.553SS**  trans-64.2118.3171.4-132-21.8000107.9V141 E145V141-D143 PolarHBondContact O-N 2.83Å; V141-D143 VanDerWaalsContact O-N 3.17Å; D143-E145 PolarHBondContact O-N 3.4Å; D143-E145 VanDerWaalsContact O-N 3.1Å
144F35.9Very low42.3Very low164 Ų164108.4 Ų108.472%0.71958%0.575SS**  trans-79.621.6-176.9-70.3-80.9000112.5C142 L146C142-F144 WeakPolarHBondContact O-CD2 3.46Å; C142-F144 PolarHBondContact O-N 2.9Å; F144-L146 PolarHBondContact O-N 3.48Å
145E32.7Very low41.6Very low153 Ų153115.5 Ų115.572%0.71561%0.608SS**  trans-70.3110.1178.6-64.2-165.2157.600109.3D143D143-E145 PolarHBondContact O-N 3.4Å; D143-E145 VanDerWaalsContact O-N 3.1Å
146L34.4Very low41.2Very low162 Ų162115.5 Ų115.585%0.84862%0.618SS**  trans89.666.4166.8-48.7160.6000116.4F144 P148F144-L146 PolarHBondContact O-N 3.48Å; L146-P148 WeakPolarHBondContact O-CD 3.46Å
147L35.7Very low41Very low95 Ų95115.8 Ų115.850%0.49762%0.624SS.*  trans-77.5119.5146.2-87.2161.3000108.5T149 L157 M160L147-T149 PolarHBondContact O-N 3.1Å; L147-L157 HydrophobicContact CD2-CD2 3.67Å; L147-M160 HydrophobicContact CD2-CE 3.69Å; L147-M160 HydrophobicContact CD2-SD 4.4Å; L147-M160 HydrophobicContact CG-CE 4.19Å
148P35.3Very low41.7Very low101 Ų101113.4 Ų113.466%0.65662%0.615SS**  trans-59.6134.5164-11.926.4000107.3L146 D150L146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-D150 PolarHBondContact O-N 3.17Å
149T43.3Very low43Very low143 Ų143113.1 Ų113.188%0.87761%0.611SS**SBendtrans-67.211.5-177.9-0.60000113.6L147L147-T149 PolarHBondContact O-N 3.1Å
150D43.4Very low44.3Very low139 Ų139109.5 Ų109.574%0.74360%0.597SS**  trans-94.9118.1-175.7-84.6-33.3000112.3P148 E152P148-D150 PolarHBondContact O-N 3.17Å; D150-E152 PolarHBondContact O-N 2.84Å
151V41.7Very low45.8Very low141 Ų141110.2 Ų110.286%0.85560%0.595SS**THydrogen-bonded Turntrans-72.214-170.5-177.30000113.1
152E49.4Very low47.5Very low183 Ų183108 Ų10886%0.85558%0.575SS**THydrogen-bonded Turntrans-108.8-9.5-170.9-71.9-16815700116.1D150 T154D150-E152 PolarHBondContact O-N 2.84Å; E152-T154 PolarHBondContact O-N 3.39Å
153N52.9Low48.9Very low109 Ų109113 Ų11358%0.58359%0.592SS**  trans-103.164-175.1-145.6-7.7000113.6E155 G156 L157N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.18Å; N153-G156 PolarHBondContact O-N 3.39Å; N153-G156 VanDerWaalsContact O-N 3.17Å; N153-L157 PolarHBondContact O-N 3.21Å; N153-L157 VanDerWaalsContact O-N 3.12Å
154T54.6Low50Low99 Ų99107.9 Ų107.961%0.60757%0.566SS**Hα-helixtrans-58.9-34.9177.651.50000112.7E152 L157 V158E152-T154 PolarHBondContact O-N 3.39Å; T154-L157 PolarHBondContact O-N 3.24Å; T154-V158 WeakPolarHBondContact O-CG2 3.45Å; T154-V158 PolarHBondContact O-N 2.8Å
155E59.6Low51Low149 Ų149102.3 Ų102.370%0.69654%0.543SS*.Hα-helixtrans-65.7-42.6174.9-67.6-168.9159.100111.9N153 L157 V158 D159N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.18Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.06Å; E155-V158 PolarHBondContact O-N 2.76Å; E155-D159 WeakPolarHBondContact O-CB 3.36Å; E155-D159 PolarHBondContact O-N 3.36Å
156G56.6Low52.1Low32 Ų32101.9 Ų101.933%0.3355%0.545SS..Hα-helixtrans-61.6-39.1175.900000112.9N153 M160N153-G156 PolarHBondContact O-N 3.39Å; N153-G156 VanDerWaalsContact O-N 3.17Å; G156-M160 VanDerWaalsContact O-CB 3.25Å; G156-M160 WeakPolarHBondContact O-CB 3.37Å; G156-M160 PolarHBondContact O-N 2.68Å
157L55.8Low52.8Low72 Ų7296 Ų9638%0.37752%0.52SS..Hα-helixtrans-66.8-44.5173.6-79.8168.4000112.2L147 N153 T154 E155 M160 F161L147-L157 HydrophobicContact CD2-CD2 3.67Å; N153-L157 PolarHBondContact O-N 3.21Å; N153-L157 VanDerWaalsContact O-N 3.12Å; T154-L157 PolarHBondContact O-N 3.24Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.06Å; L157-M160 WeakPolarHBondContact O-CB 3.2Å; L157-M160 PolarHBondContact O-N 3.41Å; L157-F161 WeakPolarHBondContact O-CD2 3.15Å; L157-F161 PolarHBondContact O-N 3.45Å
158V62.3Low53.5Low44 Ų4494.8 Ų94.827%0.26751%0.509SS..Hα-helixtrans-61.5-44.8176.1166.70000110.8T154 E155 M160 F161 K162 Y227T154-V158 WeakPolarHBondContact O-CG2 3.45Å; T154-V158 PolarHBondContact O-N 2.8Å; E155-V158 PolarHBondContact O-N 2.76Å; V158-M160 VanDerWaalsContact C-N 3.31Å; V158-M160 PolarHBondContact O-N 2.84Å; V158-F161 PolarHBondContact O-N 3.34Å; V158-K162 HydrophobicContact CG1-CD 4.43Å; V158-K162 WeakPolarHBondContact O-CG 3.34Å; V158-K162 PolarHBondContact O-N 2.81Å; V158-Y227 WeakPolarHBondContact CG1-O 3.1Å
159D62.4Low53.8Low77 Ų7790.4 Ų90.441%0.41248%0.48SS..Hα-helixtrans-68.1-32.6177.3-79.9-7.3000112E155 K162 K163E155-D159 WeakPolarHBondContact O-CB 3.36Å; E155-D159 PolarHBondContact O-N 3.36Å; D159-K162 PolarHBondContact O-N 3.28Å; D159-K162 IonicContact OD1-NZ 3.98Å; D159-K162 PolarHBondContact OD1-NZ 3.27Å; D159-K163 WeakPolarHBondContact O-CB 2.92Å; D159-K163 VanDerWaalsContact O-CG 3.23Å; D159-K163 WeakPolarHBondContact O-CG 3.16Å; D159-K163 PolarHBondContact O-N 2.83Å
160M58.6Low53.9Low74 Ų7486.4 Ų86.437%0.36547%0.468SS..Hα-helixtrans-65.2-44.9170.6-172.4-171.7-63.200111.5L147 G156 L157 V158 K163 C164L147-M160 HydrophobicContact CD2-CE 3.69Å; L147-M160 HydrophobicContact CD2-SD 4.4Å; L147-M160 HydrophobicContact CG-CE 4.19Å; G156-M160 VanDerWaalsContact O-CB 3.25Å; G156-M160 WeakPolarHBondContact O-CB 3.37Å; G156-M160 PolarHBondContact O-N 2.68Å; L157-M160 WeakPolarHBondContact O-CB 3.2Å; L157-M160 PolarHBondContact O-N 3.41Å; V158-M160 VanDerWaalsContact C-N 3.31Å; V158-M160 PolarHBondContact O-N 2.84Å; M160-K163 CarbonylContact O-C 3.6Å; M160-K163 WeakPolarHBondContact O-CB 3.45Å; M160-K163 PolarHBondContact O-N 2.79Å; M160-C164 PolarHBondContact O-N 2.76Å; M160-C164 PolarHBondContact O-SG 2.8Å
161F59.7Low54.3Low86 Ų8684.6 Ų84.638%0.37746%0.461SS..Hα-helixtrans-65.3-40.3174.8-79.5-62.5000112.1L157 V158 K163 C164 L165 V188 Y227L157-F161 WeakPolarHBondContact O-CD2 3.15Å; L157-F161 PolarHBondContact O-N 3.45Å; V158-F161 PolarHBondContact O-N 3.34Å; F161-K163 VanDerWaalsContact C-N 3.29Å; F161-K163 PolarHBondContact O-N 2.93Å; F161-C164 PolarHBondContact O-N 2.84Å; F161-L165 VanDerWaalsContact O-CB 3.23Å; F161-L165 WeakPolarHBondContact O-CB 3.3Å; F161-L165 PolarHBondContact O-N 3.01Å; F161-V188 HydrophobicContact CD1-CG2 3.8Å; F161-V188 HydrophobicContact CE1-CG2 3.51Å; F161-V188 HydrophobicContact CZ-CG2 4.02Å; F161-Y227 HydrophobicContact CB-CD1 3.89Å; F161-Y227 HydrophobicContact CB-CE1 4.42Å; F161-Y227 HydrophobicContact CG-CD1 4.49Å
162K62.7Low55.1Low76 Ų7679.5 Ų79.533%0.3343%0.429SS..Hα-helixtrans-57.7-44.9170.4-74.1178-164152.30110.3V158 D159 L165 L166 T228V158-K162 HydrophobicContact CG1-CD 4.43Å; V158-K162 WeakPolarHBondContact O-CG 3.34Å; V158-K162 PolarHBondContact O-N 2.81Å; D159-K162 PolarHBondContact O-N 3.28Å; D159-K162 IonicContact OD1-NZ 3.98Å; D159-K162 PolarHBondContact OD1-NZ 3.27Å; K162-L165 PolarHBondContact O-N 3.08Å; K162-L166 WeakPolarHBondContact O-CB 3.35Å; K162-L166 WeakPolarHBondContact O-CD1 3.08Å; K162-L166 WeakPolarHBondContact O-CG 3.47Å; K162-L166 PolarHBondContact O-N 2.9Å; K162-T228 HydrophobicContact CD-CG2 4.37Å; K162-T228 VanDerWaalsContact CE-CG2 3.41Å; K162-T228 HydrophobicContact CG-CG2 4.31Å
163K60Low55.3Low147 Ų14771.1 Ų71.164%0.63939%0.39SS*.Hα-helixtrans-62.6-44.7176.1-77173.1-176.61780111.8D159 M160 F161 L165 L166 A167D159-K163 WeakPolarHBondContact O-CB 2.92Å; D159-K163 VanDerWaalsContact O-CG 3.23Å; D159-K163 WeakPolarHBondContact O-CG 3.16Å; D159-K163 PolarHBondContact O-N 2.83Å; M160-K163 CarbonylContact O-C 3.6Å; M160-K163 WeakPolarHBondContact O-CB 3.45Å; M160-K163 PolarHBondContact O-N 2.79Å; F161-K163 VanDerWaalsContact C-N 3.29Å; F161-K163 PolarHBondContact O-N 2.93Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.33Å; K163-L166 PolarHBondContact O-N 3.37Å; K163-A167 WeakPolarHBondContact O-CB 3.23Å; K163-A167 PolarHBondContact O-N 3.36Å
164C53.8Low55.4Low19 Ų1967 Ų6713%0.12837%0.369CS..Hα-helixtrans-62.6-40.5176.1-63.80000111.6M160 F161 A167 R168 T169M160-C164 PolarHBondContact O-N 2.76Å; M160-C164 PolarHBondContact O-SG 2.8Å; F161-C164 PolarHBondContact O-N 2.84Å; C164-A167 CarbonylContact O-C 3.53Å; C164-A167 PolarHBondContact O-N 3.35Å; C164-R168 VanDerWaalsContact O-CA 3.32Å; C164-R168 WeakPolarHBondContact O-CA 3.25Å; C164-R168 PolarHBondContact O-N 3.4Å; C164-T169 WeakPolarHBondContact CA-OG1 3.45Å; C164-T169 WeakPolarHBondContact CB-OG1 3.32Å; C164-T169 PolarHBondContact O-N 2.91Å; C164-T169 PolarHBondContact O-OG1 3.03Å
165L55.6Low55.3Low48 Ų4862.4 Ų62.425%0.25134%0.34SS..Hα-helixtrans-68.1-43.1177.3-169.5124.3000111.8F161 K162 K163 R168 T183 Y227F161-L165 VanDerWaalsContact O-CB 3.23Å; F161-L165 WeakPolarHBondContact O-CB 3.3Å; F161-L165 PolarHBondContact O-N 3.01Å; K162-L165 PolarHBondContact O-N 3.08Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.33Å; L165-R168 WeakPolarHBondContact O-CG 3.47Å; L165-R168 PolarHBondContact O-N 3.12Å; L165-T183 WeakPolarHBondContact CD1-O 3.38Å; L165-Y227 HydrophobicContact CD1-CD1 4.33Å; L165-Y227 HydrophobicContact CD1-CD2 3.47Å; L165-Y227 VanDerWaalsContact CD1-CD2 3.47Å; L165-Y227 HydrophobicContact CD1-CE1 3.95Å; L165-Y227 HydrophobicContact CD1-CE2 3.08Å; L165-Y227 HydrophobicContact CD1-CG 4.13Å
166L56.4Low54.9Low143 Ų14356.1 Ų56.175%0.74931%0.31SS*.Hα-helixtrans-65.3-39.4174.9-73.7168.1000111.6K162 K163 R168K162-L166 WeakPolarHBondContact O-CB 3.35Å; K162-L166 WeakPolarHBondContact O-CD1 3.08Å; K162-L166 WeakPolarHBondContact O-CG 3.47Å; K162-L166 PolarHBondContact O-N 2.9Å; K163-L166 PolarHBondContact O-N 3.37Å; L166-R168 VanDerWaalsContact C-N 3.29Å
167A48.9Very low54.6Low39 Ų3954.6 Ų54.632%0.32230%0.295SS..THydrogen-bonded Turntrans-83.7-3.6177.100000113.3T140 K163 C164 T169T140-A167 PolarHBondContact OG1-O 2.81Å; K163-A167 WeakPolarHBondContact O-CB 3.23Å; K163-A167 PolarHBondContact O-N 3.36Å; C164-A167 CarbonylContact O-C 3.53Å; C164-A167 PolarHBondContact O-N 3.35Å; A167-T169 HydrophobicContact CB-CG2 3.63Å; A167-T169 VanDerWaalsContact O-CG2 3.29Å; A167-T169 WeakPolarHBondContact O-CG2 3.42Å; A167-T169 PolarHBondContact O-N 3.3Å
168R50.2Low54.5Low70 Ų7055 Ų5526%0.26430%0.297SS..THydrogen-bonded Turntrans47.155.7-177.8-63.1-174.5174.8-178.1-3.9113.4M1 C164 L165 L166 L172 T183M1-R168 VanDerWaalsContact CG-NH1 3.3Å; M1-R168 PolarHBondContact SD-NH1 3.32Å; M1-R168 VanDerWaalsContact SD-NH1 3.42Å; M1-R168 PolarHBondContact SD-NH2 3.27Å; C164-R168 VanDerWaalsContact O-CA 3.32Å; C164-R168 WeakPolarHBondContact O-CA 3.25Å; C164-R168 PolarHBondContact O-N 3.4Å; L165-R168 WeakPolarHBondContact O-CG 3.47Å; L165-R168 PolarHBondContact O-N 3.12Å; L166-R168 VanDerWaalsContact C-N 3.29Å; R168-L172 HydrophobicContact CB-CD1 3.87Å; R168-L172 VanDerWaalsContact O-CD1 3.28Å; R168-L172 WeakPolarHBondContact O-CD1 3.31Å; R168-T183 HydrophobicContact CG-CG2 4.23Å
169T41.1Very low54Low8 Ų859.1 Ų59.15%0.04932%0.318CS..  trans-109.8143-179.369.10000110.8T140 C142 C164 A167T140-T169 VanDerWaalsContact CB-CG2 3.46Å; T140-T169 WeakPolarHBondContact O-CB 3.09Å; T140-T169 WeakPolarHBondContact O-CG2 3.41Å; C142-T169 PolarHBondContact SG-OG1 3.34Å; C164-T169 WeakPolarHBondContact CA-OG1 3.45Å; C164-T169 WeakPolarHBondContact CB-OG1 3.32Å; C164-T169 PolarHBondContact O-N 2.91Å; C164-T169 PolarHBondContact O-OG1 3.03Å; A167-T169 HydrophobicContact CB-CG2 3.63Å; A167-T169 VanDerWaalsContact O-CG2 3.29Å; A167-T169 WeakPolarHBondContact O-CG2 3.42Å; A167-T169 PolarHBondContact O-N 3.3Å
170G46.6Very low53.3Low60 Ų6057.1 Ų57.162%0.61931%0.309SS*.SBendtrans103.9-17217500000116.1L172G170-L172 VanDerWaalsContact C-N 3.29Å; G170-L172 WeakPolarHBondContact O-CG 3.33Å; G170-L172 PolarHBondContact O-N 2.02Å
171T51Low53.3Low100 Ų10055 Ų5561%0.61330%0.301SS*.SBendtrans-71.785.6173.3350000109.6K186T171-K186 VanDerWaalsContact O-CB 3.3Å; T171-K186 WeakPolarHBondContact O-CB 3.39Å; T171-K186 PolarHBondContact O-N 3.04Å
172L57.9Low53.3Low35 Ų3552.9 Ų52.918%0.18329%0.292CS..EExtended strand (participates in β ladder)trans-90.1136.3-177.6-61.7170.4000110.9R168 G170 T183 A184R168-L172 HydrophobicContact CB-CD1 3.87Å; R168-L172 VanDerWaalsContact O-CD1 3.28Å; R168-L172 WeakPolarHBondContact O-CD1 3.31Å; G170-L172 VanDerWaalsContact C-N 3.29Å; G170-L172 WeakPolarHBondContact O-CG 3.33Å; G170-L172 PolarHBondContact O-N 2.02Å; L172-T183 HydrophobicContact CB-CG2 3.93Å; L172-T183 HydrophobicContact CD1-CG2 3.64Å; L172-T183 HydrophobicContact CD2-CG2 3.95Å; L172-T183 HydrophobicContact CG-CG2 4.03Å; L172-A184 CarbonylContact C-O 3.48Å; L172-A184 WeakPolarHBondContact CA-O 3.31Å
173L54.4Low53Low6 Ų650 Ų503%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-96.1118.4163.6177.769.2000107I175 A184 K186 T196L173-I175 HydrophobicContact CD2-CD1 3.98Å; L173-I175 HydrophobicContact CD2-CG1 3.77Å; L173-I175 HydrophobicContact CG-CG1 3.84Å; L173-A184 WeakPolarHBondContact CA-O 3.37Å; L173-A184 PolarHBondContact N-O 3.31Å; L173-A184 PolarHBondContact O-N 3.23Å; L173-A184 VanDerWaalsContact O-O 3.06Å; L173-K186 HydrophobicContact CB-CB 4.38Å; L173-T196 HydrophobicContact CD2-CG2 3.78Å
174D55.7Low53Low24 Ų2443 Ų4313%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-90.9114.2167.7-72.9-36.8000108.3F176 T183 L208D174-F176 HydrophobicContact CB-CD2 4.22Å; D174-F176 HydrophobicContact CB-CE2 3.38Å; D174-F176 HydrophobicContact CB-CZ 3.9Å; D174-F176 WeakPolarHBondContact O-CD2 3.15Å; D174-T183 WeakPolarHBondContact OD1-CA 2.93Å; D174-T183 VanDerWaalsContact OD1-CB 3.26Å; D174-T183 WeakPolarHBondContact OD1-CB 3.36Å; D174-T183 VanDerWaalsContact OD1-CG2 3.3Å; D174-T183 WeakPolarHBondContact OD1-CG2 3.25Å; D174-T183 PolarHBondContact OD1-OG1 3.33Å; D174-L208 HydrophobicContact CB-CD2 4.49Å
175I52.1Low53.4Low2 Ų243 Ų431%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-96.9123.3176.5-49.9174.6000108.2L173 I177 F182 T196 A209 A211 M219 M222L173-I175 HydrophobicContact CD2-CD1 3.98Å; L173-I175 HydrophobicContact CD2-CG1 3.77Å; L173-I175 HydrophobicContact CG-CG1 3.84Å; I175-I177 HydrophobicContact CG2-CD1 3.77Å; I175-F182 HydrophobicContact CB-CB 4.48Å; I175-F182 PolarHBondContact N-O 2.72Å; I175-F182 PolarHBondContact O-N 2.81Å; I175-T196 HydrophobicContact CD1-CG2 4.19Å; I175-A209 HydrophobicContact CB-CB 4.4Å; I175-A209 HydrophobicContact CG1-CB 4.23Å; I175-A209 HydrophobicContact CG2-CB 3.96Å; I175-A211 HydrophobicContact CG2-CB 4.16Å; I175-M219 HydrophobicContact CD1-CE 4.23Å; I175-M219 HydrophobicContact CG2-CE 3.55Å; I175-M222 HydrophobicContact CD1-CE 3.95Å
176F50.7Low53.7Low16 Ų1645.1 Ų45.17%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-110.9130.8-177.2-68.3-89.3000110.1K77 Y135 D174 T181 L208 A209 A211K77-F176 VanDerWaalsContact CE-CE1 3.48Å; Y135-F176 AromaticContact CE2-CE1 4Å; Y135-F176 HydrophobicContact CE2-CE1 4Å; D174-F176 HydrophobicContact CB-CD2 4.22Å; D174-F176 HydrophobicContact CB-CE2 3.38Å; D174-F176 HydrophobicContact CB-CZ 3.9Å; D174-F176 WeakPolarHBondContact O-CD2 3.15Å; F176-T181 HydrophobicContact CD1-CG2 3.7Å; F176-T181 VanDerWaalsContact CD1-OG1 3.23Å; F176-T181 WeakPolarHBondContact CD1-OG1 3.42Å; F176-T181 HydrophobicContact CE1-CG2 3.19Å; F176-T181 WeakPolarHBondContact CE1-OG1 3.37Å; F176-T181 HydrophobicContact CE2-CG2 4.28Å; F176-T181 HydrophobicContact CG-CG2 4.49Å; F176-T181 HydrophobicContact CZ-CG2 3.53Å; F176-L208 HydrophobicContact CD2-CD2 3.62Å; F176-L208 HydrophobicContact CE2-CD2 3.2Å; F176-L208 HydrophobicContact CZ-CD2 4.26Å; F176-A209 PolarHBondContact N-O 3.18Å; F176-A209 VanDerWaalsContact N-O 3.12Å; F176-A211 PolarHBondContact O-N 3.42Å; F176-A211 VanDerWaalsContact O-N 3.16Å
177I51.2Low54Low0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-136.3109.4178.6-61.9105.5000108.2I175 D179 C180 F182 A211 F214 M219I175-I177 HydrophobicContact CG2-CD1 3.77Å; I177-D179 PolarHBondContact O-N 3.41Å; I177-C180 PolarHBondContact N-O 3.42Å; I177-C180 VanDerWaalsContact N-O 3.1Å; I177-C180 WeakPolarHBondContact O-CA 2.98Å; I177-C180 WeakPolarHBondContact O-CB 3.07Å; I177-C180 PolarHBondContact O-N 2.94Å; I177-F182 HydrophobicContact CD1-CD2 3.51Å; I177-F182 HydrophobicContact CD1-CE2 3.82Å; I177-A211 HydrophobicContact CG1-CB 3.89Å; I177-A211 WeakPolarHBondContact CG1-O 3.18Å; I177-F214 WeakPolarHBondContact CG2-O 3.32Å; I177-M219 HydrophobicContact CD1-CB 3.27Å; I177-M219 HydrophobicContact CD1-CE 3.8Å; I177-M219 HydrophobicContact CD1-CG 3.33Å; I177-M219 HydrophobicContact CD1-SD 4.41Å; I177-M219 HydrophobicContact CG1-CB 4.1Å; I177-M219 HydrophobicContact CG1-CE 4.48Å; I177-M219 HydrophobicContact CG1-CG 3.68Å
178N52.8Low54.7Low81 Ų8140.4 Ų40.443%0.43323%0.233SC..THydrogen-bonded Turntrans48.9-122.4-174.8-55.1-27.5000110.1K77 C180K77-N178 PolarHBondContact NZ-O 3.04Å; N178-C180 VanDerWaalsContact C-N 3.27Å; N178-C180 PolarHBondContact O-N 2.75Å
179D52.2Low55.3Low130 Ų13037.1 Ų37.170%0.69522%0.221SC*.THydrogen-bonded Turntrans-79-9.1-179.9-58.4-38000113.6K77 I177K77-D179 VanDerWaalsContact NZ-C 3.28Å; K77-D179 PolarHBondContact NZ-O 2.9Å; I177-D179 PolarHBondContact O-N 3.41Å
180C48.7Very low56.4Low35 Ų3539.9 Ų39.924%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-94.2154.8-175-550000113.3K77 I177 N178 F182 C216K77-C180 PolarHBondContact NZ-O 3.31Å; K77-C180 VanDerWaalsContact NZ-O 3.17Å; I177-C180 PolarHBondContact N-O 3.42Å; I177-C180 VanDerWaalsContact N-O 3.1Å; I177-C180 WeakPolarHBondContact O-CA 2.98Å; I177-C180 WeakPolarHBondContact O-CB 3.07Å; I177-C180 PolarHBondContact O-N 2.94Å; N178-C180 VanDerWaalsContact C-N 3.27Å; N178-C180 PolarHBondContact O-N 2.75Å; C180-F182 HydrophobicContact CB-CD2 4.44Å; C180-F182 HydrophobicContact CB-CE2 3.59Å; C180-F182 HydrophobicContact CB-CZ 3.99Å; C180-C216 HydrophobicContact CB-CB 3.77Å; C180-C216 WeakPolarHBondContact CB-SG 3.43Å; C180-C216 WeakPolarHBondContact SG-CB 3.4Å; C180-C216 CovalentContact SG-SG 2.02Å; C180-C216 PolarHBondContact SG-SG 3.24Å
181T56.9Low57.4Low30 Ų3045.2 Ų45.218%0.18424%0.237CC..EExtended strand (participates in β ladder)trans-137122.3178.8-52.50000108.3K77 F176K77-T181 WeakPolarHBondContact CE-OG1 3.35Å; K77-T181 PolarHBondContact NZ-OG1 2.85Å; F176-T181 HydrophobicContact CD1-CG2 3.7Å; F176-T181 VanDerWaalsContact CD1-OG1 3.23Å; F176-T181 WeakPolarHBondContact CD1-OG1 3.42Å; F176-T181 HydrophobicContact CE1-CG2 3.19Å; F176-T181 WeakPolarHBondContact CE1-OG1 3.37Å; F176-T181 HydrophobicContact CE2-CG2 4.28Å; F176-T181 HydrophobicContact CG-CG2 4.49Å; F176-T181 HydrophobicContact CZ-CG2 3.53Å
182F59.5Low58Low42 Ų4245.5 Ų45.518%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-117.6117.9178.3-61.4-81.9000109.3I175 I177 C180 C216 M219 A223I175-F182 HydrophobicContact CB-CB 4.48Å; I175-F182 PolarHBondContact N-O 2.72Å; I175-F182 PolarHBondContact O-N 2.81Å; I177-F182 HydrophobicContact CD1-CD2 3.51Å; I177-F182 HydrophobicContact CD1-CE2 3.82Å; C180-F182 HydrophobicContact CB-CD2 4.44Å; C180-F182 HydrophobicContact CB-CE2 3.59Å; C180-F182 HydrophobicContact CB-CZ 3.99Å; F182-C216 HydrophobicContact CZ-CB 4.37Å; F182-C216 WeakPolarHBondContact CZ-O 3.39Å; F182-M219 HydrophobicContact CD2-CB 3.96Å; F182-M219 HydrophobicContact CE2-CB 3.85Å; F182-M219 HydrophobicContact CZ-CB 4.48Å; F182-A223 HydrophobicContact CB-CB 4.43Å; F182-A223 HydrophobicContact CD1-CB 4.48Å
183T57.4Low58.3Low14 Ų1444.5 Ų44.59%0.08623%0.228CC..EExtended strand (participates in β ladder)trans-91.9120.9175.9-57.20000108.4L165 R168 L172 D174L165-T183 WeakPolarHBondContact CD1-O 3.38Å; R168-T183 HydrophobicContact CG-CG2 4.23Å; L172-T183 HydrophobicContact CB-CG2 3.93Å; L172-T183 HydrophobicContact CD1-CG2 3.64Å; L172-T183 HydrophobicContact CD2-CG2 3.95Å; L172-T183 HydrophobicContact CG-CG2 4.03Å; D174-T183 WeakPolarHBondContact OD1-CA 2.93Å; D174-T183 VanDerWaalsContact OD1-CB 3.26Å; D174-T183 WeakPolarHBondContact OD1-CB 3.36Å; D174-T183 VanDerWaalsContact OD1-CG2 3.3Å; D174-T183 WeakPolarHBondContact OD1-CG2 3.25Å; D174-T183 PolarHBondContact OD1-OG1 3.33Å
184A59Low58.9Low1 Ų149.1 Ų49.11%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-129.2144176.400000109.8L172 L173 K186 S189 Y227L172-A184 CarbonylContact C-O 3.48Å; L172-A184 WeakPolarHBondContact CA-O 3.31Å; L173-A184 WeakPolarHBondContact CA-O 3.37Å; L173-A184 PolarHBondContact N-O 3.31Å; L173-A184 PolarHBondContact O-N 3.23Å; L173-A184 VanDerWaalsContact O-O 3.06Å; A184-K186 PolarHBondContact O-N 2.91Å; A184-S189 VanDerWaalsContact CB-OG 3.31Å; A184-S189 WeakPolarHBondContact CB-OG 3.35Å; A184-Y227 HydrophobicContact CB-CE2 4.19Å
185S62.2Low59.3Low18 Ų1851.2 Ų51.213%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-61.1125.8164.9174.10000111.3S187 V188 S189 Y227S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 2.66Å; S185-S187 PolarHBondContact OG-OG 2.93Å; S185-S187 VanDerWaalsContact OG-OG 3.04Å; S185-V188 PolarHBondContact O-N 3.08Å; S185-S189 WeakPolarHBondContact O-CB 3.37Å; S185-S189 PolarHBondContact O-N 3.18Å; S185-S189 PolarHBondContact O-OG 3.4Å; S185-Y227 WeakPolarHBondContact CA-OH 3.44Å; S185-Y227 WeakPolarHBondContact CB-OH 3.11Å; S185-Y227 PolarHBondContact N-OH 3.41Å; S185-Y227 PolarHBondContact O-OH 3.39Å
186K63.2Low59.7Low93 Ų9351.1 Ų51.140%0.40427%0.268SS..Hα-helixtrans-55.6-46.4177.9-173.9175.2-168.7179.90111.2T171 L173 A184 S189 Y190T171-K186 VanDerWaalsContact O-CB 3.3Å; T171-K186 WeakPolarHBondContact O-CB 3.39Å; T171-K186 PolarHBondContact O-N 3.04Å; L173-K186 HydrophobicContact CB-CB 4.38Å; A184-K186 PolarHBondContact O-N 2.91Å; K186-S189 PolarHBondContact O-N 2.64Å; K186-Y190 HydrophobicContact CB-CE2 4.48Å; K186-Y190 HydrophobicContact CD-CE2 3.86Å; K186-Y190 VanDerWaalsContact CE-CE2 3.41Å; K186-Y190 VanDerWaalsContact CE-CZ 3.48Å; K186-Y190 WeakPolarHBondContact CE-OH 2.74Å; K186-Y190 HydrophobicContact CG-CD2 3.87Å; K186-Y190 HydrophobicContact CG-CE1 4.41Å; K186-Y190 HydrophobicContact CG-CE2 3.19Å; K186-Y190 WeakPolarHBondContact O-CD2 3.44Å; K186-Y190 PolarHBondContact O-N 2.75Å
187S61.9Low60.3Low71 Ų7154.7 Ų54.750%0.49729%0.285SS..Hα-helixtrans-67.2-37.6-178.953.80000113.5S185 K191S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 2.66Å; S185-S187 PolarHBondContact OG-OG 2.93Å; S185-S187 VanDerWaalsContact OG-OG 3.04Å; S187-K191 PolarHBondContact O-N 2.59Å
188V64.4Low60.9Low12 Ų1259.4 Ų59.47%0.07331%0.307CS..Hα-helixtrans-73.9-42.2177.1-174.20000110.6F161 S185 Y190 K191 H192 T226 Y227F161-V188 HydrophobicContact CD1-CG2 3.8Å; F161-V188 HydrophobicContact CE1-CG2 3.51Å; F161-V188 HydrophobicContact CZ-CG2 4.02Å; S185-V188 PolarHBondContact O-N 3.08Å; V188-Y190 VanDerWaalsContact C-N 3.34Å; V188-Y190 PolarHBondContact O-N 2.76Å; V188-K191 PolarHBondContact O-N 2.85Å; V188-H192 PolarHBondContact O-CD2 2.01Å; V188-H192 VanDerWaalsContact O-CD2 3.31Å; V188-H192 PolarHBondContact O-N 3.06Å; V188-T226 HydrophobicContact CG1-CG2 3.98Å; V188-Y227 HydrophobicContact CB-CD1 4.5Å; V188-Y227 HydrophobicContact CB-CE1 3.64Å; V188-Y227 HydrophobicContact CG1-CD1 3.88Å; V188-Y227 HydrophobicContact CG1-CE1 3.49Å; V188-Y227 VanDerWaalsContact CG1-CE1 3.49Å; V188-Y227 HydrophobicContact CG2-CE1 3.88Å
189S62.3Low61.2Low2 Ų256.5 Ų56.51%0.01429%0.291CS..Hα-helixtrans-61.1-43.4-179.7-55.50000112.1A184 S185 K186 K191 H192 S193A184-S189 VanDerWaalsContact CB-OG 3.31Å; A184-S189 WeakPolarHBondContact CB-OG 3.35Å; S185-S189 WeakPolarHBondContact O-CB 3.37Å; S185-S189 PolarHBondContact O-N 3.18Å; S185-S189 PolarHBondContact O-OG 3.4Å; K186-S189 PolarHBondContact O-N 2.64Å; S189-K191 PolarHBondContact O-N 3.29Å; S189-H192 PolarHBondContact O-N 2.98Å; S189-S193 PolarHBondContact O-N 3.28Å
190Y65.1Low61.6Low65 Ų6550.7 Ų50.726%0.25526%0.261SS..Hα-helixtrans-63.7-39.8176.6-66-27.9000113.7K186 V188 H192 E197 A200K186-Y190 HydrophobicContact CB-CE2 4.48Å; K186-Y190 HydrophobicContact CD-CE2 3.86Å; K186-Y190 VanDerWaalsContact CE-CE2 3.41Å; K186-Y190 VanDerWaalsContact CE-CZ 3.48Å; K186-Y190 WeakPolarHBondContact CE-OH 2.74Å; K186-Y190 HydrophobicContact CG-CD2 3.87Å; K186-Y190 HydrophobicContact CG-CE1 4.41Å; K186-Y190 HydrophobicContact CG-CE2 3.19Å; K186-Y190 WeakPolarHBondContact O-CD2 3.44Å; K186-Y190 PolarHBondContact O-N 2.75Å; V188-Y190 VanDerWaalsContact C-N 3.34Å; V188-Y190 PolarHBondContact O-N 2.76Å; Y190-H192 VanDerWaalsContact C-N 3.27Å; Y190-H192 PolarHBondContact O-N 2.75Å; Y190-E197 HydrophobicContact CD1-CB 4.03Å; Y190-E197 HydrophobicContact CD1-CG 4.46Å; Y190-A200 HydrophobicContact CE1-CB 3.35Å; Y190-A200 WeakPolarHBondContact OH-CB 3.36Å
191K66.1Low62.1Low173 Ų17353.4 Ų53.475%0.75227%0.27SS*.Hα-helixtrans-68.2-29.5-177.9-170173.5-179.7-1790112.7S187 V188 S189S187-K191 PolarHBondContact O-N 2.59Å; V188-K191 PolarHBondContact O-N 2.85Å; S189-K191 PolarHBondContact O-N 3.29Å
192H64.6Low62.3Low105 Ų10558.2 Ų58.249%0.48629%0.291SS..Hα-helixtrans-110.8-9.1-169.6-70.5-71.2000114.6V188 S189 Y190 T226V188-H192 PolarHBondContact O-CD2 2.01Å; V188-H192 VanDerWaalsContact O-CD2 3.31Å; V188-H192 PolarHBondContact O-N 3.06Å; S189-H192 PolarHBondContact O-N 2.98Å; Y190-H192 VanDerWaalsContact C-N 3.27Å; Y190-H192 PolarHBondContact O-N 2.75Å; H192-T226 HydrophobicContact CB-CG2 4.15Å
193S64.3Low62.3Low15 Ų1558.5 Ų58.511%0.10529%0.293CS..  trans-144.9102.1-178.31770000110.8S189 L195 T196 E197S189-S193 PolarHBondContact O-N 3.28Å; S193-L195 PolarHBondContact O-N 2.76Å; S193-L195 VanDerWaalsContact O-N 3.16Å; S193-T196 WeakPolarHBondContact CB-OG1 3.36Å; S193-T196 PolarHBondContact O-N 3.47Å; S193-T196 PolarHBondContact OG-N 2.85Å; S193-T196 VanDerWaalsContact OG-N 3.11Å; S193-T196 PolarHBondContact OG-OG1 2.86Å; S193-E197 PolarHBondContact O-N 3.2Å
194P66.9Low62Low102 Ų10266.7 Ų66.766%0.66232%0.322SS*.Hα-helixtrans-55.7-28.3170-24.633.8000112.2E197 Q198P194-E197 PolarHBondContact O-N 3.17Å; P194-Q198 WeakPolarHBondContact O-CB 3.26Å; P194-Q198 PolarHBondContact O-N 3.47Å
195L65Low61.4Low69 Ų6976.2 Ų76.236%0.36137%0.366SS..Hα-helixtrans-65.7-38.5173.5-177.768.9000111.5S193 Q198 I199 F214S193-L195 PolarHBondContact O-N 2.76Å; S193-L195 VanDerWaalsContact O-N 3.16Å; L195-Q198 PolarHBondContact O-N 2.72Å; L195-I199 HydrophobicContact CD1-CD1 4.38Å; L195-I199 HydrophobicContact CG-CD1 3.93Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 WeakPolarHBondContact O-CD1 3.26Å; L195-I199 WeakPolarHBondContact O-CG1 3.3Å; L195-I199 PolarHBondContact O-N 3.27Å; L195-F214 HydrophobicContact CD2-CE1 4.26Å; L195-F214 HydrophobicContact CD2-CZ 3.82Å
196T60.5Low60.8Low0 Ų083.4 Ų83.40%039%0.391CS..Hα-helixtrans-76.2-29.4178.2-44.10000111.8L173 I175 S193 A200L173-T196 HydrophobicContact CD2-CG2 3.78Å; I175-T196 HydrophobicContact CD1-CG2 4.19Å; S193-T196 WeakPolarHBondContact CB-OG1 3.36Å; S193-T196 PolarHBondContact O-N 3.47Å; S193-T196 PolarHBondContact OG-N 2.85Å; S193-T196 VanDerWaalsContact OG-N 3.11Å; S193-T196 PolarHBondContact OG-OG1 2.86Å; T196-A200 VanDerWaalsContact O-CB 3.3Å; T196-A200 WeakPolarHBondContact O-CB 3.28Å; T196-A200 PolarHBondContact O-N 3.38Å
197E63Low60.2Low90 Ų9084 Ų8442%0.42140%0.397SS..Hα-helixtrans-61.2-52.9165.3-173.1171.3-151.600110.6Y190 S193 P194 I199 A200 E201Y190-E197 HydrophobicContact CD1-CB 4.03Å; Y190-E197 HydrophobicContact CD1-CG 4.46Å; S193-E197 PolarHBondContact O-N 3.2Å; P194-E197 PolarHBondContact O-N 3.17Å; E197-I199 PolarHBondContact O-N 3.42Å; E197-A200 CarbonylContact O-C 3.51Å; E197-A200 PolarHBondContact O-N 3.34Å; E197-A200 VanDerWaalsContact O-N 3.1Å; E197-E201 HydrophobicContact CG-CG 4.29Å; E197-E201 WeakPolarHBondContact O-CB 3.18Å; E197-E201 WeakPolarHBondContact O-CG 3.44Å; E197-E201 PolarHBondContact O-N 2.81Å
198Q63.8Low59.7Low100 Ų10082.4 Ų82.447%0.46738%0.383SS..Hα-helixtrans-55.9-49.7176.9-176-177.6-4.700112.2P194 L195 A200 E201 E202P194-Q198 WeakPolarHBondContact O-CB 3.26Å; P194-Q198 PolarHBondContact O-N 3.47Å; L195-Q198 PolarHBondContact O-N 2.72Å; Q198-A200 PolarHBondContact O-N 2.73Å; Q198-E201 PolarHBondContact O-N 2.93Å; Q198-E202 HydrophobicContact CG-CG 4.42Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.23Å; Q198-E202 PolarHBondContact NE2-OE1 3.48Å; Q198-E202 WeakPolarHBondContact O-CB 2.92Å; Q198-E202 WeakPolarHBondContact O-CG 2.97Å; Q198-E202 PolarHBondContact O-N 2.8Å
199I59.6Low59.2Low20 Ų2081.9 Ų81.910%0.10338%0.38CS..Hα-helixtrans-59.4-37.9179.3-72.1167.9000111.1L195 E197 E203 A209 F214L195-I199 HydrophobicContact CD1-CD1 4.38Å; L195-I199 HydrophobicContact CG-CD1 3.93Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 WeakPolarHBondContact O-CD1 3.26Å; L195-I199 WeakPolarHBondContact O-CG1 3.3Å; L195-I199 PolarHBondContact O-N 3.27Å; E197-I199 PolarHBondContact O-N 3.42Å; I199-E203 WeakPolarHBondContact O-CB 3.26Å; I199-E203 WeakPolarHBondContact O-CG 3.4Å; I199-E203 PolarHBondContact O-N 3.34Å; I199-A209 HydrophobicContact CG2-CB 3.22Å; I199-F214 HydrophobicContact CD1-CE2 4.25Å
200A58.8Low58.8Low7 Ų786.2 Ų86.26%0.05840%0.403CS..Hα-helixtrans-86-19.1179.400000114.1Y190 T196 E197 Q198 E203 R204Y190-A200 HydrophobicContact CE1-CB 3.35Å; Y190-A200 WeakPolarHBondContact OH-CB 3.36Å; T196-A200 VanDerWaalsContact O-CB 3.3Å; T196-A200 WeakPolarHBondContact O-CB 3.28Å; T196-A200 PolarHBondContact O-N 3.38Å; E197-A200 CarbonylContact O-C 3.51Å; E197-A200 PolarHBondContact O-N 3.34Å; E197-A200 VanDerWaalsContact O-N 3.1Å; Q198-A200 PolarHBondContact O-N 2.73Å; A200-E203 CarbonylContact O-C 3.52Å; A200-R204 VanDerWaalsContact O-CA 3.3Å; A200-R204 WeakPolarHBondContact O-CA 3.15Å; A200-R204 PolarHBondContact O-N 3.27Å; A200-R204 VanDerWaalsContact O-N 3.11Å
201E61Low58.4Low93 Ų9383.4 Ų83.444%0.43539%0.393SS..Hα-helixtrans-74.5-40.7168.8-75-154.8134.300111.2E197 Q198 E203 R204E197-E201 HydrophobicContact CG-CG 4.29Å; E197-E201 WeakPolarHBondContact O-CB 3.18Å; E197-E201 WeakPolarHBondContact O-CG 3.44Å; E197-E201 PolarHBondContact O-N 2.81Å; Q198-E201 PolarHBondContact O-N 2.93Å; E201-E203 PolarHBondContact O-N 3.43Å; E201-R204 WeakPolarHBondContact O-CB 3.35Å; E201-R204 PolarHBondContact O-N 2.93Å; E201-R204 IonicContact OE1-CZ 3.16Å; E201-R204 IonicContact OE1-NE 2.75Å; E201-R204 IonicContact OE1-NH2 2.66Å; E201-R204 PolarHBondContact OE1-NH2 3.45Å
202E59.8Low58Low131 Ų13179 Ų7961%0.61238%0.381SS*.Hα-helixtrans-60.7-31.8170.7-73.2175.5-172.300111.1Q198Q198-E202 HydrophobicContact CG-CG 4.42Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.23Å; Q198-E202 PolarHBondContact NE2-OE1 3.48Å; Q198-E202 WeakPolarHBondContact O-CB 2.92Å; Q198-E202 WeakPolarHBondContact O-CG 2.97Å; Q198-E202 PolarHBondContact O-N 2.8Å
203E59.2Low58Low47 Ų4784.9 Ų84.922%0.2240%0.398CS..THydrogen-bonded Turntrans-106.929179.6-61.9-76.9171.500112.5I199 A200 E201 E205 R206 L208I199-E203 WeakPolarHBondContact O-CB 3.26Å; I199-E203 WeakPolarHBondContact O-CG 3.4Å; I199-E203 PolarHBondContact O-N 3.34Å; A200-E203 CarbonylContact O-C 3.52Å; E201-E203 PolarHBondContact O-N 3.43Å; E203-E205 PolarHBondContact O-N 3.47Å; E203-R206 HydrophobicContact CB-CB 4.48Å; E203-R206 WeakPolarHBondContact O-CA 3.41Å; E203-R206 PolarHBondContact O-N 2.81Å; E203-R206 VanDerWaalsContact O-O 3.06Å; E203-R206 VanDerWaalsContact OE2-CD 3.25Å; E203-R206 WeakPolarHBondContact OE2-CD 3.06Å; E203-R206 IonicContact OE2-NH1 3.9Å; E203-L208 VanDerWaalsContact CB-O 3.29Å; E203-L208 WeakPolarHBondContact CB-O 3.47Å; E203-L208 WeakPolarHBondContact CG-O 3.31Å
204R50.9Low57.9Low187 Ų18787.3 Ų87.371%0.70641%0.407SS*.THydrogen-bonded Turntrans-52.1-21.9-169-121.2170.9-167.7-161.58.7116.4A200 E201A200-R204 VanDerWaalsContact O-CA 3.3Å; A200-R204 WeakPolarHBondContact O-CA 3.15Å; A200-R204 PolarHBondContact O-N 3.27Å; A200-R204 VanDerWaalsContact O-N 3.11Å; E201-R204 WeakPolarHBondContact O-CB 3.35Å; E201-R204 PolarHBondContact O-N 2.93Å; E201-R204 IonicContact OE1-CZ 3.16Å; E201-R204 IonicContact OE1-NE 2.75Å; E201-R204 IonicContact OE1-NH2 2.66Å; E201-R204 PolarHBondContact OE1-NH2 3.45Å
205E47.9Very low57.9Low200 Ų20085 Ų8594%0.93539%0.394SS*.THydrogen-bonded Turntrans-96.7-0.6177-65.5-165.4157.400114.1E203E203-E205 PolarHBondContact O-N 3.47Å
206R48.2Very low57.7Low170 Ų17083.2 Ų83.264%0.64239%0.387SS*.  trans-125.5135.5-173.3-65.7174.6176.3177.20.3110.2E203 L208E203-R206 HydrophobicContact CB-CB 4.48Å; E203-R206 WeakPolarHBondContact O-CA 3.41Å; E203-R206 PolarHBondContact O-N 2.81Å; E203-R206 VanDerWaalsContact O-O 3.06Å; E203-R206 VanDerWaalsContact OE2-CD 3.25Å; E203-R206 WeakPolarHBondContact OE2-CD 3.06Å; E203-R206 IonicContact OE2-NH1 3.9Å; R206-L208 HydrophobicContact CB-CB 4.28Å; R206-L208 PolarHBondContact O-N 3.26Å
207I51.5Low58.1Low104 Ų10488.8 Ų88.853%0.53342%0.416SS..SBendtrans-71.819.6169.6-57.8167.4000110.2
208L51.7Low58.3Low38 Ų3887.5 Ų87.520%0.19942%0.417CS..EExtended strand (participates in β ladder)trans-138.9127.4-163.5-62.4176.6000110.2N101 D174 F176 E203 R206N101-L208 HydrophobicContact CB-CD1 3.97Å; D174-L208 HydrophobicContact CB-CD2 4.49Å; F176-L208 HydrophobicContact CD2-CD2 3.62Å; F176-L208 HydrophobicContact CE2-CD2 3.2Å; F176-L208 HydrophobicContact CZ-CD2 4.26Å; E203-L208 VanDerWaalsContact CB-O 3.29Å; E203-L208 WeakPolarHBondContact CB-O 3.47Å; E203-L208 WeakPolarHBondContact CG-O 3.31Å; R206-L208 HydrophobicContact CB-CB 4.28Å; R206-L208 PolarHBondContact O-N 3.26Å
209A53.3Low58.4Low1 Ų182.8 Ų82.81%0.00840%0.395CS..EExtended strand (participates in β ladder)trans-108.8113.317300000109I175 F176 I199 A211I175-A209 HydrophobicContact CB-CB 4.4Å; I175-A209 HydrophobicContact CG1-CB 4.23Å; I175-A209 HydrophobicContact CG2-CB 3.96Å; F176-A209 PolarHBondContact N-O 3.18Å; F176-A209 VanDerWaalsContact N-O 3.12Å; I199-A209 HydrophobicContact CG2-CB 3.22Å; A209-A211 PolarHBondContact O-N 3.26Å
210N54.3Low58.6Low94 Ų9482.2 Ų82.250%0.50339%0.394SS..EExtended strand (participates in β ladder)trans-89.197.1175.2-164.59.3000109.9T212N210-T212 VanDerWaalsContact OD1-CG2 3.3Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.23Å
211A55.4Low59Low5 Ų583.5 Ų83.54%0.04140%0.402CS..  trans-108.450.8-170.400000111.5I175 F176 I177 A209 R213 F214 M219I175-A211 HydrophobicContact CG2-CB 4.16Å; F176-A211 PolarHBondContact O-N 3.42Å; F176-A211 VanDerWaalsContact O-N 3.16Å; I177-A211 HydrophobicContact CG1-CB 3.89Å; I177-A211 WeakPolarHBondContact CG1-O 3.18Å; A209-A211 PolarHBondContact O-N 3.26Å; A211-R213 PolarHBondContact O-N 2.99Å; A211-F214 HydrophobicContact CB-CD2 3.78Å; A211-F214 HydrophobicContact CB-CE2 4.25Å; A211-F214 PolarHBondContact O-N 2.97Å; A211-F214 VanDerWaalsContact O-N 3.1Å; A211-M219 HydrophobicContact CB-CE 4.23Å
212T59.1Low59.4Low81 Ų8180.6 Ų80.650%0.49739%0.389SS..THydrogen-bonded Turntrans-58.9-13.1-178.255.70000114.7N210 F214N210-T212 VanDerWaalsContact OD1-CG2 3.3Å; N210-T212 WeakPolarHBondContact OD1-CG2 3.23Å; T212-F214 VanDerWaalsContact C-N 3.26Å; T212-F214 PolarHBondContact O-N 3.43Å
213R63.5Low59.7Low228 Ų22874.9 Ų74.986%0.8636%0.364SS*.THydrogen-bonded Turntrans-75.9-12.2177.4-62.5-177.1-178.9172.23.3113.6A211A211-R213 PolarHBondContact O-N 2.99Å
214F63.4Low60.1Low67 Ų6774.9 Ų74.929%0.29437%0.367SS..SBendtrans-110.3156.4-178.4-55.2-80.3000110.5I177 L195 I199 A211 T212 M219I177-F214 WeakPolarHBondContact CG2-O 3.32Å; L195-F214 HydrophobicContact CD2-CE1 4.26Å; L195-F214 HydrophobicContact CD2-CZ 3.82Å; I199-F214 HydrophobicContact CD1-CE2 4.25Å; A211-F214 HydrophobicContact CB-CD2 3.78Å; A211-F214 HydrophobicContact CB-CE2 4.25Å; A211-F214 PolarHBondContact O-N 2.97Å; A211-F214 VanDerWaalsContact O-N 3.1Å; T212-F214 VanDerWaalsContact C-N 3.26Å; T212-F214 PolarHBondContact O-N 3.43Å; F214-M219 HydrophobicContact CB-CG 3.39Å; F214-M219 HydrophobicContact CB-SD 3.84Å; F214-M219 HydrophobicContact CD1-SD 4.35Å; F214-M219 HydrophobicContact CD2-CG 4.42Å; F214-M219 HydrophobicContact CD2-SD 3.89Å; F214-M219 HydrophobicContact CG-CG 4.03Å; F214-M219 HydrophobicContact CG-SD 3.75Å
215S66.5Low60.9Low54 Ų5472.3 Ų72.338%0.37836%0.359SS..  trans-80.6160.7167.572.80000110.2D217 S218 M219S215-D217 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-N 3.4Å; S215-S218 PolarHBondContact OG-N 2.77Å; S215-S218 VanDerWaalsContact OG-N 3.08Å; S215-S218 PolarHBondContact OG-OG 3.17Å; S215-M219 PolarHBondContact O-N 3.29Å; S215-M219 VanDerWaalsContact O-N 3.12Å
216C61.4Low61.8Low31 Ų3163.3 Ų63.321%0.20932%0.317CS..Hα-helixtrans-53.9-43.5171.2-66.80000111.7C180 F182 M219 G220C180-C216 HydrophobicContact CB-CB 3.77Å; C180-C216 WeakPolarHBondContact CB-SG 3.43Å; C180-C216 WeakPolarHBondContact SG-CB 3.4Å; C180-C216 CovalentContact SG-SG 2.02Å; C180-C216 PolarHBondContact SG-SG 3.24Å; F182-C216 HydrophobicContact CZ-CB 4.37Å; F182-C216 WeakPolarHBondContact CZ-O 3.39Å; C216-M219 PolarHBondContact O-N 3.19Å; C216-G220 PolarHBondContact O-N 3.32Å
217D67Low62.5Low116 Ų11656 Ų5662%0.6229%0.29SS*.Hα-helixtrans-64.6-44.2-178.8-59.3-25.9000111.5S215 M219 G220 C221S215-D217 PolarHBondContact O-N 3.25Å; D217-M219 VanDerWaalsContact C-N 3.26Å; D217-M219 PolarHBondContact O-N 3.12Å; D217-G220 PolarHBondContact O-N 3.02Å; D217-C221 VanDerWaalsContact O-CB 3.23Å; D217-C221 WeakPolarHBondContact O-CB 2.82Å; D217-C221 PolarHBondContact O-N 2.96Å
218S67.1Low63.2Low63 Ų6352.6 Ų52.644%0.44127%0.274SS..Hα-helixtrans-60.8-37177.4-62.10000112S215 C221 M222S215-S218 PolarHBondContact O-N 3.4Å; S215-S218 PolarHBondContact OG-N 2.77Å; S215-S218 VanDerWaalsContact OG-N 3.08Å; S215-S218 PolarHBondContact OG-OG 3.17Å; S218-C221 WeakPolarHBondContact O-CB 3.14Å; S218-M222 WeakPolarHBondContact O-CB 3.29Å; S218-M222 PolarHBondContact O-N 3.49Å
219M66.8Low64Low2 Ų257.9 Ų57.91%0.0130%0.298CS..Hα-helixtrans-83.8-31.6-179.1-69.9-63.9-70.100113.3I175 I177 F182 A211 F214 S215 C216 D217 C221 M222 A223I175-M219 HydrophobicContact CD1-CE 4.23Å; I175-M219 HydrophobicContact CG2-CE 3.55Å; I177-M219 HydrophobicContact CD1-CB 3.27Å; I177-M219 HydrophobicContact CD1-CE 3.8Å; I177-M219 HydrophobicContact CD1-CG 3.33Å; I177-M219 HydrophobicContact CD1-SD 4.41Å; I177-M219 HydrophobicContact CG1-CB 4.1Å; I177-M219 HydrophobicContact CG1-CE 4.48Å; I177-M219 HydrophobicContact CG1-CG 3.68Å; F182-M219 HydrophobicContact CD2-CB 3.96Å; F182-M219 HydrophobicContact CE2-CB 3.85Å; F182-M219 HydrophobicContact CZ-CB 4.48Å; A211-M219 HydrophobicContact CB-CE 4.23Å; F214-M219 HydrophobicContact CB-CG 3.39Å; F214-M219 HydrophobicContact CB-SD 3.84Å; F214-M219 HydrophobicContact CD1-SD 4.35Å; F214-M219 HydrophobicContact CD2-CG 4.42Å; F214-M219 HydrophobicContact CD2-SD 3.89Å; F214-M219 HydrophobicContact CG-CG 4.03Å; F214-M219 HydrophobicContact CG-SD 3.75Å; S215-M219 PolarHBondContact O-N 3.29Å; S215-M219 VanDerWaalsContact O-N 3.12Å; C216-M219 PolarHBondContact O-N 3.19Å; D217-M219 VanDerWaalsContact C-N 3.26Å; D217-M219 PolarHBondContact O-N 3.12Å; M219-C221 VanDerWaalsContact C-N 3.28Å; M219-M222 HydrophobicContact CE-CE 3.28Å; M219-M222 HydrophobicContact CE-SD 3.96Å; M219-M222 PolarHBondContact O-N 2.83Å; M219-M222 HydrophobicContact SD-CB 4.34Å; M219-M222 HydrophobicContact SD-CE 3.85Å; M219-M222 HydrophobicContact SD-SD 3.81Å; M219-A223 VanDerWaalsContact O-CB 3.25Å; M219-A223 WeakPolarHBondContact O-CB 2.99Å; M219-A223 PolarHBondContact O-N 2.85Å
220G64.6Low64.9Low7 Ų767.1 Ų67.17%0.07233%0.332CS..Hα-helixtrans-61.1-41.5166.600000111.4C216 D217 T224C216-G220 PolarHBondContact O-N 3.32Å; D217-G220 PolarHBondContact O-N 3.02Å; G220-T224 VanDerWaalsContact O-CB 3.31Å; G220-T224 WeakPolarHBondContact O-CB 3.48Å; G220-T224 PolarHBondContact O-N 3.25Å; G220-T224 PolarHBondContact O-OG1 2.8Å
221C67Low65.6Low34 Ų3464.9 Ų64.923%0.2332%0.324CS..Hα-helixtrans-60.4-52171.5-174.30000111.5D217 S218 M219 A223 T224 Y225 C231D217-C221 VanDerWaalsContact O-CB 3.23Å; D217-C221 WeakPolarHBondContact O-CB 2.82Å; D217-C221 PolarHBondContact O-N 2.96Å; S218-C221 WeakPolarHBondContact O-CB 3.14Å; M219-C221 VanDerWaalsContact C-N 3.28Å; C221-A223 PolarHBondContact O-N 3.25Å; C221-T224 PolarHBondContact O-N 3.41Å; C221-Y225 WeakPolarHBondContact O-CB 3.42Å; C221-Y225 PolarHBondContact O-N 2.8Å; C221-C231 VanDerWaalsContact CA-SG 3.56Å; C221-C231 HydrophobicContact CB-CB 4.3Å; C221-C231 WeakPolarHBondContact CB-SG 3.45Å; C221-C231 WeakPolarHBondContact SG-CB 3.42Å; C221-C231 CovalentContact SG-SG 2.01Å; C221-C231 PolarHBondContact SG-SG 3.42Å
222M68.6Low66Low32 Ų3268.3 Ų68.316%0.15835%0.345CS..Hα-helixtrans-60.3-47.1180-172.1-160.173.700112I175 S218 M219 Y225 T226I175-M222 HydrophobicContact CD1-CE 3.95Å; S218-M222 WeakPolarHBondContact O-CB 3.29Å; S218-M222 PolarHBondContact O-N 3.49Å; M219-M222 HydrophobicContact CE-CE 3.28Å; M219-M222 HydrophobicContact CE-SD 3.96Å; M219-M222 PolarHBondContact O-N 2.83Å; M219-M222 HydrophobicContact SD-CB 4.34Å; M219-M222 HydrophobicContact SD-CE 3.85Å; M219-M222 HydrophobicContact SD-SD 3.81Å; M222-Y225 PolarHBondContact O-N 3.27Å; M222-T226 WeakPolarHBondContact O-CB 3.23Å; M222-T226 PolarHBondContact O-N 3.48Å; M222-T226 PolarHBondContact O-OG1 2.79Å
223A66.6Low65.9Low11 Ų1174 Ų749%0.09136%0.364CS..Hα-helixtrans-59.9-48.6176.900000110.1F182 M219 C221 Y225 T226 Y227F182-A223 HydrophobicContact CB-CB 4.43Å; F182-A223 HydrophobicContact CD1-CB 4.48Å; M219-A223 VanDerWaalsContact O-CB 3.25Å; M219-A223 WeakPolarHBondContact O-CB 2.99Å; M219-A223 PolarHBondContact O-N 2.85Å; C221-A223 PolarHBondContact O-N 3.25Å; A223-Y225 PolarHBondContact O-N 3.17Å; A223-T226 WeakPolarHBondContact O-CB 3.37Å; A223-T226 PolarHBondContact O-N 2.83Å; A223-Y227 WeakPolarHBondContact O-CD2 3.36Å
224T66.8Low66.1Low47 Ų4766.3 Ų66.329%0.28834%0.339SS..Hα-helixtrans-65.9-41180-51.90000112.2G220 C221 T226 Y227 T228 R230 P232G220-T224 VanDerWaalsContact O-CB 3.31Å; G220-T224 WeakPolarHBondContact O-CB 3.48Å; G220-T224 PolarHBondContact O-N 3.25Å; G220-T224 PolarHBondContact O-OG1 2.8Å; C221-T224 PolarHBondContact O-N 3.41Å; T224-T226 VanDerWaalsContact C-N 3.3Å; T224-T226 PolarHBondContact O-N 3.38Å; T224-Y227 PolarHBondContact O-N 2.77Å; T224-Y227 VanDerWaalsContact O-N 3.17Å; T224-T228 HydrophobicContact CG2-CG2 4.1Å; T224-T228 WeakPolarHBondContact O-CB 3.33Å; T224-T228 WeakPolarHBondContact O-CG2 3.35Å; T224-T228 PolarHBondContact O-N 3.07Å; T224-T228 PolarHBondContact O-OG1 3.17Å; T224-R230 CarbonylContact C-O 3.53Å; T224-P232 HydrophobicContact CG2-CG 3.94Å
225Y67.3Low66.2Low133 Ų13366.2 Ų66.252%0.52234%0.341SS..Hα-helixtrans-62.1-39.4178.3-175.9-92.8000111.4C221 M222 A223 Y227 T228 Q229 R230C221-Y225 WeakPolarHBondContact O-CB 3.42Å; C221-Y225 PolarHBondContact O-N 2.8Å; M222-Y225 PolarHBondContact O-N 3.27Å; A223-Y225 PolarHBondContact O-N 3.17Å; Y225-Y227 PolarHBondContact O-N 2.87Å; Y225-T228 PolarHBondContact O-N 3.1Å; Y225-Q229 VanDerWaalsContact CD2-C 3.47Å; Y225-Q229 WeakPolarHBondContact CE2-O 3.25Å; Y225-Q229 VanDerWaalsContact O-CA 3.26Å; Y225-Q229 WeakPolarHBondContact O-CA 3.22Å; Y225-Q229 PolarHBondContact O-N 2.88Å; Y225-R230 WeakPolarHBondContact CA-O 3.45Å; Y225-R230 PolarHBondContact N-O 3.17Å
226T67Low66.2Low11 Ų1166.9 Ų66.97%0.06734%0.339CS..Hα-helixtrans-55.9-34.7176.1-630000112.3V188 H192 M222 A223 T224V188-T226 HydrophobicContact CG1-CG2 3.98Å; H192-T226 HydrophobicContact CB-CG2 4.15Å; M222-T226 WeakPolarHBondContact O-CB 3.23Å; M222-T226 PolarHBondContact O-N 3.48Å; M222-T226 PolarHBondContact O-OG1 2.79Å; A223-T226 WeakPolarHBondContact O-CB 3.37Å; A223-T226 PolarHBondContact O-N 2.83Å; T224-T226 VanDerWaalsContact C-N 3.3Å; T224-T226 PolarHBondContact O-N 3.38Å
227Y63.4Low66.5Low16 Ų1669 Ų696%0.06335%0.347CS..Hα-helixtrans-95.9-32179.7-67.2-74.8000114.4V158 F161 L165 A184 S185 V188 A223 T224 Y225V158-Y227 WeakPolarHBondContact CG1-O 3.1Å; F161-Y227 HydrophobicContact CB-CD1 3.89Å; F161-Y227 HydrophobicContact CB-CE1 4.42Å; F161-Y227 HydrophobicContact CG-CD1 4.49Å; L165-Y227 HydrophobicContact CD1-CD1 4.33Å; L165-Y227 HydrophobicContact CD1-CD2 3.47Å; L165-Y227 VanDerWaalsContact CD1-CD2 3.47Å; L165-Y227 HydrophobicContact CD1-CE1 3.95Å; L165-Y227 HydrophobicContact CD1-CE2 3.08Å; L165-Y227 HydrophobicContact CD1-CG 4.13Å; A184-Y227 HydrophobicContact CB-CE2 4.19Å; S185-Y227 WeakPolarHBondContact CA-OH 3.44Å; S185-Y227 WeakPolarHBondContact CB-OH 3.11Å; S185-Y227 PolarHBondContact N-OH 3.41Å; S185-Y227 PolarHBondContact O-OH 3.39Å; V188-Y227 HydrophobicContact CB-CD1 4.5Å; V188-Y227 HydrophobicContact CB-CE1 3.64Å; V188-Y227 HydrophobicContact CG1-CD1 3.88Å; V188-Y227 HydrophobicContact CG1-CE1 3.49Å; V188-Y227 VanDerWaalsContact CG1-CE1 3.49Å; V188-Y227 HydrophobicContact CG2-CE1 3.88Å; A223-Y227 WeakPolarHBondContact O-CD2 3.36Å; T224-Y227 PolarHBondContact O-N 2.77Å; T224-Y227 VanDerWaalsContact O-N 3.17Å; Y225-Y227 PolarHBondContact O-N 2.87Å
228T66.4Low66.4Low34 Ų3466.1 Ų66.121%0.20933%0.33CS..Hα-helixtrans-118.6-8.2-165.569.60000113.9K162 T224 Y225 R230K162-T228 HydrophobicContact CD-CG2 4.37Å; K162-T228 VanDerWaalsContact CE-CG2 3.41Å; K162-T228 HydrophobicContact CG-CG2 4.31Å; T224-T228 HydrophobicContact CG2-CG2 4.1Å; T224-T228 WeakPolarHBondContact O-CB 3.33Å; T224-T228 WeakPolarHBondContact O-CG2 3.35Å; T224-T228 PolarHBondContact O-N 3.07Å; T224-T228 PolarHBondContact O-OG1 3.17Å; Y225-T228 PolarHBondContact O-N 3.1Å; T228-R230 PolarHBondContact O-N 3.36Å; T228-R230 VanDerWaalsContact O-N 3.12Å; T228-R230 PolarHBondContact OG1-N 3.12Å; T228-R230 PolarHBondContact OG1-O 3.35Å
229Q69.2Low66.4Low149 Ų14966.3 Ų66.370%0.69632%0.322SS*.SBendtrans54.521.1-168.4-56.5-176.7-5.500113.5Y225Y225-Q229 VanDerWaalsContact CD2-C 3.47Å; Y225-Q229 WeakPolarHBondContact CE2-O 3.25Å; Y225-Q229 VanDerWaalsContact O-CA 3.26Å; Y225-Q229 WeakPolarHBondContact O-CA 3.22Å; Y225-Q229 PolarHBondContact O-N 2.88Å
230R70.4Confident66.4Low194 Ų19470.9 Ų70.973%0.73234%0.344SS*.  trans-133.3143.9177.9-62.9-177.2-173.8178.13.6109.8T224 Y225 T228T224-R230 CarbonylContact C-O 3.53Å; Y225-R230 WeakPolarHBondContact CA-O 3.45Å; Y225-R230 PolarHBondContact N-O 3.17Å; T228-R230 PolarHBondContact O-N 3.36Å; T228-R230 VanDerWaalsContact O-N 3.12Å; T228-R230 PolarHBondContact OG1-N 3.12Å; T228-R230 PolarHBondContact OG1-O 3.35Å
231C70.4Confident66.5Low48 Ų4875.8 Ų75.832%0.32437%0.365SS..  trans-97.3127.3166-168.10000107.6C221 F233C221-C231 VanDerWaalsContact CA-SG 3.56Å; C221-C231 HydrophobicContact CB-CB 4.3Å; C221-C231 WeakPolarHBondContact CB-SG 3.45Å; C221-C231 WeakPolarHBondContact SG-CB 3.42Å; C221-C231 CovalentContact SG-SG 2.01Å; C221-C231 PolarHBondContact SG-SG 3.42Å; C231-F233 PolarHBondContact O-N 2.98Å; C231-F233 PolarHBondContact SG-O 2.87Å
232P62.8Low66.4Low76 Ų7679.3 Ų79.349%0.49438%0.377SS..  trans-78.53-179.130.3-32000113.3T224T224-P232 HydrophobicContact CG2-CG 3.94Å
233F58.3Low66.2Low200 Ų20083.5 Ų83.588%0.87740%0.397SS*.  trans-130.30-177.8-47.4-65.4000110.7C231C231-F233 PolarHBondContact O-N 2.98Å; C231-F233 PolarHBondContact SG-O 2.87Å

Retrieved 233 of 233 residues in 190.5 ms (Link to these results)

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