A0A077Z1D7_TRITR Loading...

F-box domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M36.3Very low71.2Confident245 Ų245116.1 Ų116.1100%1.20764%0.64SS**  0114.90-66.4175.8-155.400106.9S3M1-S3 PolarHBondContact O-N 3.39Å
2V45.3Very low72.8Confident135 Ų135109.8 Ų109.882%0.81861%0.614SS**  trans-70.5120.9170.3-1760000105.4
3S47.8Very low74.2Confident92 Ų92112.1 Ų112.164%0.64362%0.617SS**  trans-55.2136.5173.958.70000108.4M1 K5M1-S3 PolarHBondContact O-N 3.39Å; S3-K5 PolarHBondContact O-N 3.15Å
4P55.5Low75.6Confident124 Ų124109.1 Ų109.181%0.80560%0.604SS**  trans-62.8112.5177.724.6-29.3000107.1L6P4-L6 PolarHBondContact O-N 2.94Å; P4-L6 VanDerWaalsContact O-N 3.15Å
5K75.4Confident76.7Confident193 Ų193102.3 Ų102.384%0.83957%0.565SS**PPolyproline II helixtrans-60.8120.4172.7-76.7-175.2175.3-178.10106.9S3S3-K5 PolarHBondContact O-N 3.15Å
6L78.8Confident77.6Confident95 Ų95100.9 Ų100.950%0.49756%0.564SS.*PPolyproline II helixtrans-51.4140.2171.1-73.9163.6000109.4P4 C10 W11P4-L6 PolarHBondContact O-N 2.94Å; P4-L6 VanDerWaalsContact O-N 3.15Å; L6-C10 HydrophobicContact CB-CB 4.21Å; L6-C10 HydrophobicContact CD2-CB 4.06Å; L6-W11 HydrophobicContact CB-CZ2 4.36Å; L6-W11 HydrophobicContact CD1-CH2 4.04Å; L6-W11 HydrophobicContact CD1-CZ2 3.72Å
7S87.2Confident78.5Confident59 Ų59104.2 Ų104.241%0.41357%0.574SS.*PPolyproline II helixtrans-66.5162.8178.270.80000111.2D9 C10 W11S7-D9 PolarHBondContact O-N 3.46Å; S7-C10 PolarHBondContact O-N 3.32Å; S7-C10 PolarHBondContact OG-N 3.21Å; S7-C10 PolarHBondContact OG-SG 3.17Å; S7-W11 PolarHBondContact O-N 3.07Å
8V85.6Confident79.1Confident95 Ų95101.3 Ų101.358%0.57656%0.558SS**Hα-helixtrans-56-40.8174.5173.80000110.8W11 A12 I36V8-W11 PolarHBondContact O-N 3.34Å; V8-A12 WeakPolarHBondContact O-CB 3.46Å; V8-A12 PolarHBondContact O-N 3.49Å; V8-I36 HydrophobicContact CG1-CD1 3.91Å; V8-I36 HydrophobicContact CG1-CG1 3.9Å
9D88.2Confident79.5Confident122 Ų122100.9 Ų100.965%0.65256%0.555SS**Hα-helixtrans-66-40.3179.2-58.1-39.3000112.3S7 A12 Q13S7-D9 PolarHBondContact O-N 3.46Å; D9-A12 PolarHBondContact O-N 2.95Å; D9-Q13 WeakPolarHBondContact O-CG 3.49Å; D9-Q13 PolarHBondContact O-N 3.29Å
10C90.9Very high79.8Confident50 Ų5098.4 Ų98.434%0.33855%0.548SS..Hα-helixtrans-62.4-43.8174.5-70.10000111.2L6 S7 Q13 V14L6-C10 HydrophobicContact CB-CB 4.21Å; L6-C10 HydrophobicContact CD2-CB 4.06Å; S7-C10 PolarHBondContact O-N 3.32Å; S7-C10 PolarHBondContact OG-N 3.21Å; S7-C10 PolarHBondContact OG-SG 3.17Å; C10-Q13 PolarHBondContact O-N 2.94Å; C10-V14 WeakPolarHBondContact O-CG2 3.42Å; C10-V14 PolarHBondContact O-N 2.86Å
11W91.8Very high80.1Confident67 Ų6795 Ų9525%0.25453%0.533SS..Hα-helixtrans-63.9-41.1175.7-79.8117.8000112.4L6 S7 V8 Q13 V14 F15 W33 I36L6-W11 HydrophobicContact CB-CZ2 4.36Å; L6-W11 HydrophobicContact CD1-CH2 4.04Å; L6-W11 HydrophobicContact CD1-CZ2 3.72Å; S7-W11 PolarHBondContact O-N 3.07Å; V8-W11 PolarHBondContact O-N 3.34Å; W11-Q13 VanDerWaalsContact C-N 3.26Å; W11-Q13 PolarHBondContact O-N 2.88Å; W11-V14 HydrophobicContact CE3-CB 4.29Å; W11-V14 HydrophobicContact CE3-CG1 4.39Å; W11-V14 HydrophobicContact CZ3-CG1 4.37Å; W11-V14 PolarHBondContact O-N 3.21Å; W11-V14 VanDerWaalsContact O-N 3.09Å; W11-F15 HydrophobicContact CB-CD2 4.39Å; W11-F15 HydrophobicContact CB-CE2 3.89Å; W11-F15 HydrophobicContact CB-CZ 4.42Å; W11-F15 HydrophobicContact CD2-CZ 4.4Å; W11-F15 HydrophobicContact CE3-CE1 4.18Å; W11-F15 HydrophobicContact CE3-CE2 4.43Å; W11-F15 AromaticContact CE3-CZ 3.85Å; W11-F15 HydrophobicContact CE3-CZ 3.85Å; W11-F15 WeakPolarHBondContact O-CD2 3.45Å; W11-F15 VanDerWaalsContact O-CG 3.3Å; W11-F15 WeakPolarHBondContact O-CG 3.15Å; W11-F15 PolarHBondContact O-N 3.01Å; W11-W33 HydrophobicContact CD2-CZ2 4.44Å; W11-W33 AromaticContact CD2-NE1 3.77Å; W11-W33 AromaticContact CE2-NE1 3.73Å; W11-W33 AromaticContact CE3-CZ2 3.98Å; W11-W33 HydrophobicContact CE3-CZ2 3.98Å; W11-W33 HydrophobicContact CH2-CH2 4.35Å; W11-W33 AromaticContact CH2-CZ2 3.48Å; W11-W33 HydrophobicContact CH2-CZ2 3.48Å; W11-W33 VanDerWaalsContact CH2-CZ2 3.48Å; W11-W33 AromaticContact CZ2-CZ2 3.94Å; W11-W33 HydrophobicContact CZ2-CZ2 3.94Å; W11-W33 HydrophobicContact CZ3-CH2 4.16Å; W11-W33 AromaticContact CZ3-CZ2 3.49Å; W11-W33 HydrophobicContact CZ3-CZ2 3.49Å; W11-W33 VanDerWaalsContact CZ3-CZ2 3.49Å; W11-I36 HydrophobicContact CB-CD1 3.7Å
12A90.8Very high82.5Confident40 Ų4087.3 Ų87.333%0.33150%0.496SS..Hα-helixtrans-59.5-38.1175.400000112.1V8 D9 F15 C16 I36V8-A12 WeakPolarHBondContact O-CB 3.46Å; V8-A12 PolarHBondContact O-N 3.49Å; D9-A12 PolarHBondContact O-N 2.95Å; A12-F15 PolarHBondContact O-N 3.3Å; A12-C16 PolarHBondContact O-N 3.02Å; A12-I36 HydrophobicContact CB-CG2 3.94Å
13Q91.6Very high84.7Confident140 Ų14082.8 Ų82.865%0.65447%0.466SS*.Hα-helixtrans-69-34.7173.5-72.7-173.9-15.400113.4D9 C10 W11 C16D9-Q13 WeakPolarHBondContact O-CG 3.49Å; D9-Q13 PolarHBondContact O-N 3.29Å; C10-Q13 PolarHBondContact O-N 2.94Å; W11-Q13 VanDerWaalsContact C-N 3.26Å; W11-Q13 PolarHBondContact O-N 2.88Å; Q13-C16 PolarHBondContact O-SG 3.05Å
14V92.8Very high86.7Confident70 Ų7078.7 Ų78.742%0.42444%0.437SS..Hα-helixtrans-65.7-48.5173.3171.60000109.9C10 W11 C16 Q17C10-V14 WeakPolarHBondContact O-CG2 3.42Å; C10-V14 PolarHBondContact O-N 2.86Å; W11-V14 HydrophobicContact CE3-CB 4.29Å; W11-V14 HydrophobicContact CE3-CG1 4.39Å; W11-V14 HydrophobicContact CZ3-CG1 4.37Å; W11-V14 PolarHBondContact O-N 3.21Å; W11-V14 VanDerWaalsContact O-N 3.09Å; V14-C16 VanDerWaalsContact C-N 3.31Å; V14-C16 PolarHBondContact O-N 2.9Å; V14-Q17 WeakPolarHBondContact O-CB 3.47Å; V14-Q17 PolarHBondContact O-N 3.13Å; V14-Q17 VanDerWaalsContact O-N 3.12Å
15F92.8Very high88.2Confident7 Ų774.3 Ų74.33%0.03141%0.411CS..Hα-helixtrans-66.4-29.7-177.8-63.7-37.3000113.7W11 A12 Q17 L18 Q23 C26 W33 I36 L37W11-F15 HydrophobicContact CB-CD2 4.39Å; W11-F15 HydrophobicContact CB-CE2 3.89Å; W11-F15 HydrophobicContact CB-CZ 4.42Å; W11-F15 HydrophobicContact CD2-CZ 4.4Å; W11-F15 HydrophobicContact CE3-CE1 4.18Å; W11-F15 HydrophobicContact CE3-CE2 4.43Å; W11-F15 AromaticContact CE3-CZ 3.85Å; W11-F15 HydrophobicContact CE3-CZ 3.85Å; W11-F15 WeakPolarHBondContact O-CD2 3.45Å; W11-F15 VanDerWaalsContact O-CG 3.3Å; W11-F15 WeakPolarHBondContact O-CG 3.15Å; W11-F15 PolarHBondContact O-N 3.01Å; A12-F15 PolarHBondContact O-N 3.3Å; F15-Q17 PolarHBondContact O-N 3.07Å; F15-L18 HydrophobicContact CD1-CD1 3.82Å; F15-L18 WeakPolarHBondContact O-CB 3.16Å; F15-L18 PolarHBondContact O-N 3.33Å; F15-Q23 PolarHBondContact O-NE2 3.01Å; F15-Q23 VanDerWaalsContact O-NE2 3.13Å; F15-C26 HydrophobicContact CE1-CB 4.3Å; F15-W33 HydrophobicContact CE1-CD2 4.12Å; F15-W33 AromaticContact CE1-CE3 3.96Å; F15-W33 HydrophobicContact CE1-CE3 3.96Å; F15-W33 HydrophobicContact CE1-CH2 4.44Å; F15-W33 HydrophobicContact CE1-CZ3 4.12Å; F15-W33 HydrophobicContact CE2-CB 4.39Å; F15-W33 HydrophobicContact CE2-CD2 4.42Å; F15-W33 HydrophobicContact CE2-CG 4.17Å; F15-W33 HydrophobicContact CZ-CB 4.15Å; F15-W33 AromaticContact CZ-CD1 3.91Å; F15-W33 AromaticContact CZ-CD2 3.44Å; F15-W33 HydrophobicContact CZ-CD2 3.44Å; F15-W33 VanDerWaalsContact CZ-CD2 3.44Å; F15-W33 AromaticContact CZ-CE2 3.72Å; F15-W33 AromaticContact CZ-CE3 3.74Å; F15-W33 HydrophobicContact CZ-CE3 3.74Å; F15-W33 AromaticContact CZ-CG 3.62Å; F15-W33 HydrophobicContact CZ-CG 3.62Å; F15-W33 HydrophobicContact CZ-CZ2 4.29Å; F15-W33 HydrophobicContact CZ-CZ3 4.27Å; F15-W33 AromaticContact CZ-NE1 3.98Å; F15-I36 HydrophobicContact CD2-CB 4.23Å; F15-I36 HydrophobicContact CD2-CD1 4.46Å; F15-I36 HydrophobicContact CD2-CG2 3.77Å; F15-I36 HydrophobicContact CE2-CB 4.33Å; F15-I36 HydrophobicContact CE2-CD1 4.04Å; F15-I36 HydrophobicContact CE2-CG2 4.33Å; F15-L37 HydrophobicContact CB-CD2 3.62Å; F15-L37 HydrophobicContact CB-CG 4.49Å; F15-L37 HydrophobicContact CD1-CD1 4.1Å; F15-L37 HydrophobicContact CD1-CD2 4.11Å; F15-L37 HydrophobicContact CD1-CG 4.44Å; F15-L37 HydrophobicContact CD2-CD1 4.04Å; F15-L37 HydrophobicContact CD2-CD2 3.82Å; F15-L37 HydrophobicContact CD2-CG 3.74Å; F15-L37 HydrophobicContact CE1-CD1 4.03Å; F15-L37 HydrophobicContact CE2-CD1 3.95Å; F15-L37 HydrophobicContact CE2-CG 4.05Å; F15-L37 HydrophobicContact CG-CD1 4.14Å; F15-L37 HydrophobicContact CG-CD2 3.58Å; F15-L37 HydrophobicContact CG-CG 3.98Å; F15-L37 HydrophobicContact CZ-CD1 3.96Å
16C90.5Very high88.9Confident81 Ų8166.5 Ų66.555%0.54738%0.38SS..THydrogen-bonded Turntrans-68.7-11.3176.378.10000113.7A12 Q13 V14A12-C16 PolarHBondContact O-N 3.02Å; Q13-C16 PolarHBondContact O-SG 3.05Å; V14-C16 VanDerWaalsContact C-N 3.31Å; V14-C16 PolarHBondContact O-N 2.9Å
17Q92.7Very high89.5Confident157 Ų15762 Ų6273%0.73436%0.357SS*.THydrogen-bonded Turntrans-90.1-14.2171.8-55.2-54.6-58.600113V14 F15V14-Q17 WeakPolarHBondContact O-CB 3.47Å; V14-Q17 PolarHBondContact O-N 3.13Å; V14-Q17 VanDerWaalsContact O-N 3.12Å; F15-Q17 PolarHBondContact O-N 3.07Å
18L89Confident89.5Confident52 Ų5260.4 Ų60.427%0.27234%0.344SS..SBendtrans-81.2146.3175.8-60.2-176.6000109.9F15 D22 Q23F15-L18 HydrophobicContact CD1-CD1 3.82Å; F15-L18 WeakPolarHBondContact O-CB 3.16Å; F15-L18 PolarHBondContact O-N 3.33Å; L18-D22 HydrophobicContact CB-CB 3.94Å; L18-D22 HydrophobicContact CD1-CB 4.27Å; L18-D22 HydrophobicContact CD2-CB 4.39Å; L18-D22 HydrophobicContact CG-CB 4.43Å; L18-Q23 HydrophobicContact CB-CG 3.9Å; L18-Q23 PolarHBondContact O-NE2 3.09Å
19D88.2Confident89.7Confident94 Ų9460.4 Ų60.450%0.50334%0.344SS..  trans-68.9172.6169.473.228.3000111.4A21 D22 Q23D19-A21 VanDerWaalsContact C-N 3.27Å; D19-A21 PolarHBondContact O-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CA 3.4Å; D19-A21 WeakPolarHBondContact OD1-CB 3.14Å; D19-A21 PolarHBondContact OD1-N 3.02Å; D19-D22 PolarHBondContact O-N 2.88Å; D19-D22 PolarHBondContact OD1-N 3.03Å; D19-Q23 WeakPolarHBondContact O-CB 3.3Å; D19-Q23 VanDerWaalsContact O-CG 3.25Å; D19-Q23 WeakPolarHBondContact O-CG 3.44Å; D19-Q23 PolarHBondContact O-N 3.09Å
20A85Confident89.7Confident50 Ų5057.1 Ų57.141%0.41333%0.329SS..Hα-helixtrans-61.7-35.7-178.100000112.5Q23 L24A20-Q23 PolarHBondContact O-N 3.35Å; A20-L24 VanDerWaalsContact O-CG 3.23Å; A20-L24 WeakPolarHBondContact O-CG 3.43Å; A20-L24 PolarHBondContact O-N 3.21Å; A20-L24 VanDerWaalsContact O-N 3.09Å
21A85.3Confident89.7Confident28 Ų2864 Ų6423%0.23135%0.354CS..Hα-helixtrans-69.1-44.6-177.800000111.3D19 L24 A25D19-A21 VanDerWaalsContact C-N 3.27Å; D19-A21 PolarHBondContact O-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CA 3.4Å; D19-A21 WeakPolarHBondContact OD1-CB 3.14Å; D19-A21 PolarHBondContact OD1-N 3.02Å; A21-L24 PolarHBondContact O-N 3.42Å; A21-A25 PolarHBondContact O-N 3.3Å
22D87.5Confident89.7Confident82 Ų8264.6 Ų64.644%0.43937%0.368SS..Hα-helixtrans-67.2-35.9176.7-77.3-19.4000112.1L18 D19 L24 A25 C26L18-D22 HydrophobicContact CB-CB 3.94Å; L18-D22 HydrophobicContact CD1-CB 4.27Å; L18-D22 HydrophobicContact CD2-CB 4.39Å; L18-D22 HydrophobicContact CG-CB 4.43Å; D19-D22 PolarHBondContact O-N 2.88Å; D19-D22 PolarHBondContact OD1-N 3.03Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-A25 PolarHBondContact O-N 3.33Å; D22-C26 WeakPolarHBondContact O-CB 3.37Å; D22-C26 PolarHBondContact O-N 3.47Å; D22-C26 PolarHBondContact O-SG 2.86Å
23Q90.5Very high89.8Confident40 Ų4065.3 Ų65.319%0.18736%0.362CS..Hα-helixtrans-60.6-43.2172.3-77.5-178.235.600111.7F15 L18 D19 A20 C26 S27 L37F15-Q23 PolarHBondContact O-NE2 3.01Å; F15-Q23 VanDerWaalsContact O-NE2 3.13Å; L18-Q23 HydrophobicContact CB-CG 3.9Å; L18-Q23 PolarHBondContact O-NE2 3.09Å; D19-Q23 WeakPolarHBondContact O-CB 3.3Å; D19-Q23 VanDerWaalsContact O-CG 3.25Å; D19-Q23 WeakPolarHBondContact O-CG 3.44Å; D19-Q23 PolarHBondContact O-N 3.09Å; A20-Q23 PolarHBondContact O-N 3.35Å; Q23-C26 PolarHBondContact O-N 3.28Å; Q23-S27 PolarHBondContact O-N 2.91Å; Q23-S27 VanDerWaalsContact O-N 3.15Å; Q23-L37 HydrophobicContact CB-CD2 3.79Å; Q23-L37 HydrophobicContact CG-CD2 3.74Å
24L90.2Very high90Very high6 Ų659.8 Ų59.83%0.03134%0.336CS..Hα-helixtrans-63.8-45.3176.1-65.3169.9000110.9A20 A21 D22 C26 S27 Y41 V44 P64 A72A20-L24 VanDerWaalsContact O-CG 3.23Å; A20-L24 WeakPolarHBondContact O-CG 3.43Å; A20-L24 PolarHBondContact O-N 3.21Å; A20-L24 VanDerWaalsContact O-N 3.09Å; A21-L24 PolarHBondContact O-N 3.42Å; D22-L24 VanDerWaalsContact C-N 3.34Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 2.98Å; L24-S27 WeakPolarHBondContact O-CB 3.3Å; L24-S27 PolarHBondContact O-N 3.12Å; L24-S27 VanDerWaalsContact O-N 3.15Å; L24-S27 PolarHBondContact O-OG 2.99Å; L24-Y41 HydrophobicContact CD2-CD1 3.56Å; L24-Y41 HydrophobicContact CD2-CE1 3.13Å; L24-Y41 HydrophobicContact CD2-CE2 4.49Å; L24-Y41 HydrophobicContact CD2-CG 4.39Å; L24-Y41 HydrophobicContact CG-CE1 4.49Å; L24-V44 HydrophobicContact CD1-CG2 4.1Å; L24-V44 HydrophobicContact CD2-CG2 3.91Å; L24-P64 CarbonylContact C-O 3.33Å; L24-P64 HydrophobicContact CB-CG 4.37Å; L24-A72 HydrophobicContact CD1-CB 4.19Å
25A87.2Confident90Very high33 Ų3360 Ų6027%0.27334%0.34SS..Hα-helixtrans-62.8-38.4-18000000112.5A21 D22 S27 P64A21-A25 PolarHBondContact O-N 3.3Å; D22-A25 PolarHBondContact O-N 3.33Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 2.88Å; A25-P64 WeakPolarHBondContact CA-O 3.35Å; A25-P64 PolarHBondContact N-O 3.33Å
26C90.2Very high90Very high28 Ų2861.2 Ų61.219%0.18935%0.347CS..Hα-helixtrans-72.2-24.6177.4-71.10000113.4F15 D22 Q23 L24 L28 V29 W33 L37F15-C26 HydrophobicContact CE1-CB 4.3Å; D22-C26 WeakPolarHBondContact O-CB 3.37Å; D22-C26 PolarHBondContact O-N 3.47Å; D22-C26 PolarHBondContact O-SG 2.86Å; Q23-C26 PolarHBondContact O-N 3.28Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 2.98Å; C26-L28 VanDerWaalsContact C-N 3.27Å; C26-L28 PolarHBondContact O-N 3.47Å; C26-L28 VanDerWaalsContact O-N 3.15Å; C26-V29 WeakPolarHBondContact O-CB 3.33Å; C26-V29 VanDerWaalsContact O-CG2 3.3Å; C26-V29 WeakPolarHBondContact O-CG2 3.41Å; C26-V29 PolarHBondContact O-N 3.07Å; C26-V29 VanDerWaalsContact O-N 3.14Å; C26-W33 HydrophobicContact CB-CE3 3.89Å; C26-W33 HydrophobicContact CB-CZ3 3.99Å; C26-L37 HydrophobicContact CB-CD1 3.58Å
27S91.4Very high90.2Very high0 Ų057.5 Ų57.50%032%0.322CS..Hα-helixtrans-59.2-34-168700000113.9Q23 L24 A25 F34 Y41Q23-S27 PolarHBondContact O-N 2.91Å; Q23-S27 VanDerWaalsContact O-N 3.15Å; L24-S27 WeakPolarHBondContact O-CB 3.3Å; L24-S27 PolarHBondContact O-N 3.12Å; L24-S27 VanDerWaalsContact O-N 3.15Å; L24-S27 PolarHBondContact O-OG 2.99Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 2.88Å; S27-F34 WeakPolarHBondContact O-CA 3.38Å; S27-F34 WeakPolarHBondContact O-CB 3.4Å; S27-F34 PolarHBondContact O-N 3.18Å; S27-F34 VanDerWaalsContact O-N 3.13Å; S27-Y41 PolarHBondContact OG-OH 3.29Å
28L87.8Confident90.2Very high27 Ų2754.3 Ų54.314%0.14131%0.306CS..THydrogen-bonded Turntrans-977.9-176.8-63.7-176.5000114C26 F34 F62 P64C26-L28 VanDerWaalsContact C-N 3.27Å; C26-L28 PolarHBondContact O-N 3.47Å; C26-L28 VanDerWaalsContact O-N 3.15Å; L28-F34 HydrophobicContact CD2-CD2 3.71Å; L28-F34 HydrophobicContact CD2-CE2 3.87Å; L28-F62 HydrophobicContact CD1-CD1 3.6Å; L28-F62 HydrophobicContact CD1-CE1 3.47Å; L28-F62 VanDerWaalsContact CD1-CE1 3.47Å; L28-P64 HydrophobicContact CD1-CG 4.35Å
29V88.9Confident90.3Very high95 Ų9556 Ų5658%0.57632%0.318SS*.SBendtrans-64.2-43.2177.6173.40000111.4C26 W33C26-V29 WeakPolarHBondContact O-CB 3.33Å; C26-V29 VanDerWaalsContact O-CG2 3.3Å; C26-V29 WeakPolarHBondContact O-CG2 3.41Å; C26-V29 PolarHBondContact O-N 3.07Å; C26-V29 VanDerWaalsContact O-N 3.14Å; V29-W33 HydrophobicContact CB-CD2 4.26Å; V29-W33 HydrophobicContact CB-CE3 3.63Å; V29-W33 HydrophobicContact CB-CZ3 4.06Å; V29-W33 HydrophobicContact CG1-CD2 4.35Å; V29-W33 HydrophobicContact CG1-CE3 3.93Å; V29-W33 HydrophobicContact CG1-CZ3 4.06Å; V29-W33 HydrophobicContact CG2-CE3 3.9Å; V29-W33 HydrophobicContact CG2-CZ3 3.97Å
30C89.6Confident90.4Very high52 Ų5252.1 Ų52.135%0.35130%0.299SS..  trans-158.3162.917375.50000112S32 W33 F34C30-S32 PolarHBondContact O-N 2.9Å; C30-S32 VanDerWaalsContact O-N 3.17Å; C30-W33 PolarHBondContact O-N 3.5Å; C30-W33 VanDerWaalsContact SG-CG 3.6Å; C30-F34 PolarHBondContact O-N 3.21Å
31K90.4Very high90.7Very high195 Ų19549.8 Ų49.885%0.84828%0.279SS*.Hα-helixtrans-54.2-37.8-179.6-65.5-173.7178.1-174.50113.7S35K31-S35 PolarHBondContact O-N 3.5Å
32S91.5Very high91.1Very high80 Ų8055 Ų5556%0.55929%0.293SS*.Hα-helixtrans-67.5-41.1179-61.10000112C30 S35 I36C30-S32 PolarHBondContact O-N 2.9Å; C30-S32 VanDerWaalsContact O-N 3.17Å; S32-S35 PolarHBondContact O-N 3.17Å; S32-I36 WeakPolarHBondContact O-CG1 3.09Å; S32-I36 PolarHBondContact O-N 3.2Å
33W93.6Very high91.2Very high54 Ų5456.1 Ų56.121%0.20529%0.294CS..Hα-helixtrans-68.7-43.5177.2-7218000110.6W11 F15 C26 V29 C30 S35 I36 L37W11-W33 HydrophobicContact CD2-CZ2 4.44Å; W11-W33 AromaticContact CD2-NE1 3.77Å; W11-W33 AromaticContact CE2-NE1 3.73Å; W11-W33 AromaticContact CE3-CZ2 3.98Å; W11-W33 HydrophobicContact CE3-CZ2 3.98Å; W11-W33 HydrophobicContact CH2-CH2 4.35Å; W11-W33 AromaticContact CH2-CZ2 3.48Å; W11-W33 HydrophobicContact CH2-CZ2 3.48Å; W11-W33 VanDerWaalsContact CH2-CZ2 3.48Å; W11-W33 AromaticContact CZ2-CZ2 3.94Å; W11-W33 HydrophobicContact CZ2-CZ2 3.94Å; W11-W33 HydrophobicContact CZ3-CH2 4.16Å; W11-W33 AromaticContact CZ3-CZ2 3.49Å; W11-W33 HydrophobicContact CZ3-CZ2 3.49Å; W11-W33 VanDerWaalsContact CZ3-CZ2 3.49Å; F15-W33 HydrophobicContact CE1-CD2 4.12Å; F15-W33 AromaticContact CE1-CE3 3.96Å; F15-W33 HydrophobicContact CE1-CE3 3.96Å; F15-W33 HydrophobicContact CE1-CH2 4.44Å; F15-W33 HydrophobicContact CE1-CZ3 4.12Å; F15-W33 HydrophobicContact CE2-CB 4.39Å; F15-W33 HydrophobicContact CE2-CD2 4.42Å; F15-W33 HydrophobicContact CE2-CG 4.17Å; F15-W33 HydrophobicContact CZ-CB 4.15Å; F15-W33 AromaticContact CZ-CD1 3.91Å; F15-W33 AromaticContact CZ-CD2 3.44Å; F15-W33 HydrophobicContact CZ-CD2 3.44Å; F15-W33 VanDerWaalsContact CZ-CD2 3.44Å; F15-W33 AromaticContact CZ-CE2 3.72Å; F15-W33 AromaticContact CZ-CE3 3.74Å; F15-W33 HydrophobicContact CZ-CE3 3.74Å; F15-W33 AromaticContact CZ-CG 3.62Å; F15-W33 HydrophobicContact CZ-CG 3.62Å; F15-W33 HydrophobicContact CZ-CZ2 4.29Å; F15-W33 HydrophobicContact CZ-CZ3 4.27Å; F15-W33 AromaticContact CZ-NE1 3.98Å; C26-W33 HydrophobicContact CB-CE3 3.89Å; C26-W33 HydrophobicContact CB-CZ3 3.99Å; V29-W33 HydrophobicContact CB-CD2 4.26Å; V29-W33 HydrophobicContact CB-CE3 3.63Å; V29-W33 HydrophobicContact CB-CZ3 4.06Å; V29-W33 HydrophobicContact CG1-CD2 4.35Å; V29-W33 HydrophobicContact CG1-CE3 3.93Å; V29-W33 HydrophobicContact CG1-CZ3 4.06Å; V29-W33 HydrophobicContact CG2-CE3 3.9Å; V29-W33 HydrophobicContact CG2-CZ3 3.97Å; C30-W33 PolarHBondContact O-N 3.5Å; C30-W33 VanDerWaalsContact SG-CG 3.6Å; W33-S35 VanDerWaalsContact C-N 3.3Å; W33-S35 PolarHBondContact O-N 2.85Å; W33-I36 PolarHBondContact O-N 3.15Å; W33-L37 HydrophobicContact CB-CD1 4.34Å; W33-L37 WeakPolarHBondContact O-CB 3.3Å; W33-L37 PolarHBondContact O-N 3.14Å
34F94Very high91.4Very high25 Ų2554.5 Ų54.511%0.1129%0.287CS..Hα-helixtrans-54.8-46.1174-171.2-108.9000111.8S27 L28 C30 I36 L37 K38 Y41 T92 V96S27-F34 WeakPolarHBondContact O-CA 3.38Å; S27-F34 WeakPolarHBondContact O-CB 3.4Å; S27-F34 PolarHBondContact O-N 3.18Å; S27-F34 VanDerWaalsContact O-N 3.13Å; L28-F34 HydrophobicContact CD2-CD2 3.71Å; L28-F34 HydrophobicContact CD2-CE2 3.87Å; C30-F34 PolarHBondContact O-N 3.21Å; F34-I36 PolarHBondContact O-N 3.13Å; F34-I36 VanDerWaalsContact O-N 3.13Å; F34-L37 PolarHBondContact O-N 3.34Å; F34-K38 HydrophobicContact CE1-CB 4.33Å; F34-K38 HydrophobicContact CE2-CB 4.45Å; F34-K38 HydrophobicContact CZ-CB 4.28Å; F34-K38 WeakPolarHBondContact O-CB 3.3Å; F34-K38 WeakPolarHBondContact O-CG 3.49Å; F34-K38 PolarHBondContact O-N 3.27Å; F34-Y41 AromaticContact CE2-CE2 3.96Å; F34-Y41 HydrophobicContact CE2-CE2 3.96Å; F34-T92 HydrophobicContact CD1-CG2 4.25Å; F34-T92 HydrophobicContact CE1-CG2 3.8Å; F34-T92 HydrophobicContact CZ-CG2 4.02Å; F34-T92 WeakPolarHBondContact CZ-O 3.23Å; F34-V96 HydrophobicContact CE1-CG2 3.97Å; F34-V96 HydrophobicContact CZ-CB 4.43Å; F34-V96 HydrophobicContact CZ-CG2 3.85Å
35S93.3Very high91.6Very high73 Ų7356 Ų5651%0.5130%0.297SS..Hα-helixtrans-58.8-29.5179.9-172.50000113.8K31 S32 W33K31-S35 PolarHBondContact O-N 3.5Å; S32-S35 PolarHBondContact O-N 3.17Å; W33-S35 VanDerWaalsContact C-N 3.3Å; W33-S35 PolarHBondContact O-N 2.85Å
36I94.1Very high92.1Very high34 Ų3454.6 Ų54.617%0.17429%0.285CS..Hα-helixtrans-85.1-48.6178.8-59.7164.3000109.9V8 W11 A12 F15 S32 W33 F34V8-I36 HydrophobicContact CG1-CD1 3.91Å; V8-I36 HydrophobicContact CG1-CG1 3.9Å; W11-I36 HydrophobicContact CB-CD1 3.7Å; A12-I36 HydrophobicContact CB-CG2 3.94Å; F15-I36 HydrophobicContact CD2-CB 4.23Å; F15-I36 HydrophobicContact CD2-CD1 4.46Å; F15-I36 HydrophobicContact CD2-CG2 3.77Å; F15-I36 HydrophobicContact CE2-CB 4.33Å; F15-I36 HydrophobicContact CE2-CD1 4.04Å; F15-I36 HydrophobicContact CE2-CG2 4.33Å; S32-I36 WeakPolarHBondContact O-CG1 3.09Å; S32-I36 PolarHBondContact O-N 3.2Å; W33-I36 PolarHBondContact O-N 3.15Å; F34-I36 PolarHBondContact O-N 3.13Å; F34-I36 VanDerWaalsContact O-N 3.13Å
37L93.6Very high92.4Very high3 Ų353.6 Ų53.62%0.01628%0.277CS..Hα-helixtrans-80.2-18.7-170.3-71.7166.4000113.7F15 Q23 C26 W33 F34 V39 A40F15-L37 HydrophobicContact CB-CD2 3.62Å; F15-L37 HydrophobicContact CB-CG 4.49Å; F15-L37 HydrophobicContact CD1-CD1 4.1Å; F15-L37 HydrophobicContact CD1-CD2 4.11Å; F15-L37 HydrophobicContact CD1-CG 4.44Å; F15-L37 HydrophobicContact CD2-CD1 4.04Å; F15-L37 HydrophobicContact CD2-CD2 3.82Å; F15-L37 HydrophobicContact CD2-CG 3.74Å; F15-L37 HydrophobicContact CE1-CD1 4.03Å; F15-L37 HydrophobicContact CE2-CD1 3.95Å; F15-L37 HydrophobicContact CE2-CG 4.05Å; F15-L37 HydrophobicContact CG-CD1 4.14Å; F15-L37 HydrophobicContact CG-CD2 3.58Å; F15-L37 HydrophobicContact CG-CG 3.98Å; F15-L37 HydrophobicContact CZ-CD1 3.96Å; Q23-L37 HydrophobicContact CB-CD2 3.79Å; Q23-L37 HydrophobicContact CG-CD2 3.74Å; C26-L37 HydrophobicContact CB-CD1 3.58Å; W33-L37 HydrophobicContact CB-CD1 4.34Å; W33-L37 WeakPolarHBondContact O-CB 3.3Å; W33-L37 PolarHBondContact O-N 3.14Å; F34-L37 PolarHBondContact O-N 3.34Å; L37-V39 PolarHBondContact O-N 2.71Å; L37-A40 VanDerWaalsContact O-CB 3.28Å; L37-A40 WeakPolarHBondContact O-CB 3.35Å; L37-A40 PolarHBondContact O-N 3.15Å
38K93.2Very high92.5Very high90 Ų9056.7 Ų56.739%0.39129%0.289SS..G310 helixtrans-57.5-21.5-175.869.1178.2179.7177.70114.6F34 A40 Y41 V96F34-K38 HydrophobicContact CE1-CB 4.33Å; F34-K38 HydrophobicContact CE2-CB 4.45Å; F34-K38 HydrophobicContact CZ-CB 4.28Å; F34-K38 WeakPolarHBondContact O-CB 3.3Å; F34-K38 WeakPolarHBondContact O-CG 3.49Å; F34-K38 PolarHBondContact O-N 3.27Å; K38-A40 PolarHBondContact O-N 3.33Å; K38-Y41 HydrophobicContact CB-CD2 4.4Å; K38-Y41 PolarHBondContact O-N 2.63Å; K38-V96 HydrophobicContact CB-CG1 4.14Å; K38-V96 HydrophobicContact CD-CG2 4.33Å
39V91.2Very high92.8Very high87 Ų8755.5 Ų55.553%0.52728%0.283SS..G310 helixtrans-63.7-26.4175.772.40000112.4L37 Y41 R42L37-V39 PolarHBondContact O-N 2.71Å; V39-Y41 PolarHBondContact O-N 3.15Å; V39-R42 VanDerWaalsContact O-CG 3.25Å; V39-R42 WeakPolarHBondContact O-CG 3.25Å; V39-R42 PolarHBondContact O-N 3.48Å
40A90Very high92.9Very high13 Ų1351 Ų5111%0.10726%0.255CS..G310 helixtrans-63.2-31.3177.900000112L37 K38 R42 F43L37-A40 VanDerWaalsContact O-CB 3.28Å; L37-A40 WeakPolarHBondContact O-CB 3.35Å; L37-A40 PolarHBondContact O-N 3.15Å; K38-A40 PolarHBondContact O-N 3.33Å; A40-R42 PolarHBondContact O-N 3.25Å; A40-R42 VanDerWaalsContact O-N 3.1Å; A40-F43 WeakPolarHBondContact O-CD2 3.4Å; A40-F43 PolarHBondContact O-N 3.1Å; A40-F43 VanDerWaalsContact O-N 3.12Å
41Y92.3Very high92.8Very high0 Ų048.6 Ų48.60%024%0.239CC..G310 helixtrans-63.7-17.8-179.2-70.1-65000114.7L24 S27 F34 K38 V39 F43 V44 W47 P64 L93 A97L24-Y41 HydrophobicContact CD2-CD1 3.56Å; L24-Y41 HydrophobicContact CD2-CE1 3.13Å; L24-Y41 HydrophobicContact CD2-CE2 4.49Å; L24-Y41 HydrophobicContact CD2-CG 4.39Å; L24-Y41 HydrophobicContact CG-CE1 4.49Å; S27-Y41 PolarHBondContact OG-OH 3.29Å; F34-Y41 AromaticContact CE2-CE2 3.96Å; F34-Y41 HydrophobicContact CE2-CE2 3.96Å; K38-Y41 HydrophobicContact CB-CD2 4.4Å; K38-Y41 PolarHBondContact O-N 2.63Å; V39-Y41 PolarHBondContact O-N 3.15Å; Y41-F43 PolarHBondContact O-N 3.36Å; Y41-F43 VanDerWaalsContact O-N 3.07Å; Y41-V44 HydrophobicContact CD1-CG2 4.17Å; Y41-V44 PolarHBondContact O-N 3.35Å; Y41-W47 AromaticContact CD1-CH2 3.81Å; Y41-W47 HydrophobicContact CD1-CH2 3.81Å; Y41-W47 AromaticContact CD1-CZ2 3.86Å; Y41-W47 HydrophobicContact CD1-CZ2 3.86Å; Y41-W47 AromaticContact CE1-CH2 3.69Å; Y41-W47 HydrophobicContact CE1-CH2 3.69Å; Y41-W47 HydrophobicContact CE1-CZ2 4.22Å; Y41-P64 HydrophobicContact CE1-CG 4.41Å; Y41-P64 WeakPolarHBondContact OH-CG 3.47Å; Y41-L93 HydrophobicContact CD1-CD1 4.04Å; Y41-L93 HydrophobicContact CD2-CD1 4.21Å; Y41-L93 HydrophobicContact CE1-CD1 3.36Å; Y41-L93 HydrophobicContact CE2-CD1 3.6Å; Y41-L93 HydrophobicContact CG-CD1 4.43Å; Y41-L93 WeakPolarHBondContact OH-CD1 3.49Å; Y41-A97 HydrophobicContact CD1-CB 3.9Å; Y41-A97 HydrophobicContact CG-CB 3.88Å
42R92.1Very high92.3Very high138 Ų13845.1 Ų45.152%0.52122%0.221SC..G310 helixtrans-60.9-18.8174.381.6-174.7179.2165-5.1113.4V39 A40 Y100V39-R42 VanDerWaalsContact O-CG 3.25Å; V39-R42 WeakPolarHBondContact O-CG 3.25Å; V39-R42 PolarHBondContact O-N 3.48Å; A40-R42 PolarHBondContact O-N 3.25Å; A40-R42 VanDerWaalsContact O-N 3.1Å; R42-Y100 HydrophobicContact CB-CD2 4.47Å; R42-Y100 HydrophobicContact CB-CE1 4.28Å; R42-Y100 HydrophobicContact CB-CE2 4.12Å
43F91.1Very high91.5Very high105 Ų10546.3 Ų46.346%0.46122%0.217SC..G310 helixtrans-99.6-10.4-179.5-57.6-66.6000112.7A40 Y41 T45 F70A40-F43 WeakPolarHBondContact O-CD2 3.4Å; A40-F43 PolarHBondContact O-N 3.1Å; A40-F43 VanDerWaalsContact O-N 3.12Å; Y41-F43 PolarHBondContact O-N 3.36Å; Y41-F43 VanDerWaalsContact O-N 3.07Å; F43-T45 PolarHBondContact O-N 2.95Å; F43-F70 WeakPolarHBondContact O-CD1 3.28Å
44V93Very high90.4Very high6 Ų647.2 Ų47.24%0.03623%0.232CC..  trans-89.596.4-178.4-173.90000109.1L24 Y41 W47 F70 A72L24-V44 HydrophobicContact CD1-CG2 4.1Å; L24-V44 HydrophobicContact CD2-CG2 3.91Å; Y41-V44 HydrophobicContact CD1-CG2 4.17Å; Y41-V44 PolarHBondContact O-N 3.35Å; V44-W47 HydrophobicContact CB-CZ2 3.98Å; V44-W47 HydrophobicContact CG1-CD2 4.2Å; V44-W47 VanDerWaalsContact CG1-CE2 3.46Å; V44-W47 HydrophobicContact CG1-CH2 4.32Å; V44-W47 HydrophobicContact CG1-CZ2 3.52Å; V44-W47 PolarHBondContact O-NE1 2.92Å; V44-F70 WeakPolarHBondContact CA-O 3.25Å; V44-A72 HydrophobicContact CG1-CB 3.44Å; V44-A72 VanDerWaalsContact CG1-CB 3.44Å
45T95.9Very high89.5Confident38 Ų3848 Ų4823%0.23324%0.24CC..  trans-99.8-14.6-178.358.70000113.1F43 F70 L102 H103F43-T45 PolarHBondContact O-N 2.95Å; T45-F70 PolarHBondContact N-O 3.33Å; T45-F70 VanDerWaalsContact N-O 3.09Å; T45-L102 HydrophobicContact CG2-CD1 4.11Å; T45-L102 HydrophobicContact CG2-CG 4.33Å; T45-L102 PolarHBondContact O-N 3.42Å; T45-H103 PolarHBondContact O-N 2.74Å
46A96.8Very high88.1Confident3 Ų353 Ų533%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-121.7131.4179.300000111.1F70 W71 A72 H103A46-F70 PolarHBondContact N-O 3.5Å; A46-W71 HydrophobicContact CB-CD2 3.33Å; A46-W71 VanDerWaalsContact CB-CE2 3.41Å; A46-W71 HydrophobicContact CB-CE3 3.62Å; A46-W71 HydrophobicContact CB-CG 3.77Å; A46-W71 HydrophobicContact CB-CH2 4.03Å; A46-W71 HydrophobicContact CB-CZ2 3.77Å; A46-W71 HydrophobicContact CB-CZ3 3.96Å; A46-W71 CarbonylContact O-C 3.34Å; A46-W71 VanDerWaalsContact O-CA 3.28Å; A46-W71 WeakPolarHBondContact O-CA 3.45Å; A46-A72 PolarHBondContact O-N 2.89Å; A46-H103 CarbonylContact C-O 3.56Å; A46-H103 WeakPolarHBondContact CA-O 3.34Å; A46-H103 HydrophobicContact CB-CB 4.09Å
47W96.1Very high86.4Confident7 Ų757.5 Ų57.53%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-126.9128.4-174.9-71.381.4000109.9Y41 V44 A72 V74 L93 A97 H103 L104 S105Y41-W47 AromaticContact CD1-CH2 3.81Å; Y41-W47 HydrophobicContact CD1-CH2 3.81Å; Y41-W47 AromaticContact CD1-CZ2 3.86Å; Y41-W47 HydrophobicContact CD1-CZ2 3.86Å; Y41-W47 AromaticContact CE1-CH2 3.69Å; Y41-W47 HydrophobicContact CE1-CH2 3.69Å; Y41-W47 HydrophobicContact CE1-CZ2 4.22Å; V44-W47 HydrophobicContact CB-CZ2 3.98Å; V44-W47 HydrophobicContact CG1-CD2 4.2Å; V44-W47 VanDerWaalsContact CG1-CE2 3.46Å; V44-W47 HydrophobicContact CG1-CH2 4.32Å; V44-W47 HydrophobicContact CG1-CZ2 3.52Å; V44-W47 PolarHBondContact O-NE1 2.92Å; W47-A72 WeakPolarHBondContact CA-O 3.3Å; W47-A72 HydrophobicContact CD2-CB 4.28Å; W47-A72 HydrophobicContact CE3-CB 3.92Å; W47-A72 HydrophobicContact CH2-CB 4.03Å; W47-A72 HydrophobicContact CZ2-CB 4.34Å; W47-A72 HydrophobicContact CZ3-CB 3.8Å; W47-V74 HydrophobicContact CE3-CG2 3.92Å; W47-V74 HydrophobicContact CZ3-CG2 3.65Å; W47-L93 HydrophobicContact CH2-CD1 4.08Å; W47-L93 HydrophobicContact CH2-CD2 3.93Å; W47-L93 HydrophobicContact CH2-CG 4.11Å; W47-L93 HydrophobicContact CZ3-CD2 3.79Å; W47-L93 HydrophobicContact CZ3-CG 4.42Å; W47-A97 HydrophobicContact CH2-CB 4.08Å; W47-A97 HydrophobicContact CZ2-CB 3.56Å; W47-H103 PolarHBondContact N-O 2.95Å; W47-L104 HydrophobicContact CB-CD1 3.79Å; W47-L104 CarbonylContact O-C 3.57Å; W47-L104 WeakPolarHBondContact O-CA 3.32Å; W47-S105 PolarHBondContact O-N 3.13Å
48R94.9Very high84.7Confident65 Ų6562.3 Ų62.325%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-112.1119.9166.8-172.4-177-86137.2-12.7109.1V50 E67 W71 A72 H73 V74 S105 E107R48-V50 HydrophobicContact CG-CG2 3.71Å; R48-E67 IonicContact NH1-OE2 3.77Å; R48-W71 HydrophobicContact CB-CZ3 4.45Å; R48-A72 PolarHBondContact N-O 3.13Å; R48-H73 PolarHBondContact NH1-CE1 2.88Å; R48-H73 VanDerWaalsContact NH1-CE1 3.3Å; R48-H73 PolarHBondContact NH1-NE2 2.9Å; R48-H73 CarbonylContact O-C 3.58Å; R48-H73 VanDerWaalsContact O-CA 3.26Å; R48-H73 WeakPolarHBondContact O-CA 3.24Å; R48-V74 PolarHBondContact O-N 3.42Å; R48-S105 CarbonylContact C-O 3.57Å; R48-S105 WeakPolarHBondContact CA-O 3.05Å; R48-E107 IonicContact CZ-OE1 2.76Å; R48-E107 IonicContact NE-OE1 3.97Å; R48-E107 PolarHBondContact NE-OE1 3.2Å; R48-E107 IonicContact NE-OE2 2.81Å; R48-E107 PolarHBondContact NE-OE2 3.02Å; R48-E107 IonicContact NH2-OE1 3.84Å
49V94.2Very high83.1Confident2 Ų263.8 Ų63.81%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-101.7112.3174.2176.80000107.2V74 L76 L104 S105 V106 E107 L125V49-V74 WeakPolarHBondContact CA-O 3.32Å; V49-L76 HydrophobicContact CG1-CD1 3.2Å; V49-L76 HydrophobicContact CG1-CG 3.83Å; V49-L104 HydrophobicContact CG2-CD1 3.87Å; V49-S105 PolarHBondContact N-O 2.97Å; V49-V106 HydrophobicContact CB-CG1 4.37Å; V49-V106 HydrophobicContact CB-CG2 4.21Å; V49-V106 HydrophobicContact CG1-CG1 4.29Å; V49-V106 WeakPolarHBondContact O-CA 3.2Å; V49-E107 PolarHBondContact O-N 3.03Å; V49-L125 HydrophobicContact CG2-CD1 4.2Å; V49-L125 HydrophobicContact CG2-CD2 4.26Å
50V90.5Very high82.2Confident1 Ų161.1 Ų61.11%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-108.2119.1-175.7-178.50000109.2R48 R52 V74 H75 L76 E107 E109R48-V50 HydrophobicContact CG-CG2 3.71Å; V50-R52 HydrophobicContact CG1-CG 4.31Å; V50-V74 PolarHBondContact N-O 3.33Å; V50-H75 WeakPolarHBondContact CB-ND1 3.31Å; V50-H75 WeakPolarHBondContact O-CA 3.22Å; V50-L76 PolarHBondContact O-N 3.34Å; V50-E107 WeakPolarHBondContact CA-O 3.26Å; V50-E109 HydrophobicContact CG1-CB 4.33Å; V50-E109 VanDerWaalsContact CG1-CD 3.43Å; V50-E109 HydrophobicContact CG1-CG 3.82Å; V50-E109 WeakPolarHBondContact CG1-OE2 3.45Å
51I87.4Confident81.3Confident1 Ų168 Ų681%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-84123.3175.8-54.7157.6000108.2V78 V106 E107 D108 E109 S115 V117 V140I51-V78 HydrophobicContact CG2-CG1 3.28Å; I51-V106 HydrophobicContact CD1-CG1 4.07Å; I51-E107 PolarHBondContact N-O 3.18Å; I51-D108 HydrophobicContact CB-CB 4.38Å; I51-D108 HydrophobicContact CD1-CB 4.05Å; I51-E109 PolarHBondContact O-N 3.24Å; I51-S115 WeakPolarHBondContact CG2-OG 3.37Å; I51-V117 HydrophobicContact CD1-CB 3.69Å; I51-V117 HydrophobicContact CD1-CG2 3.98Å; I51-V117 HydrophobicContact CG1-CB 4.46Å; I51-V117 HydrophobicContact CG1-CG2 4.38Å; I51-V140 HydrophobicContact CD1-CG1 3.94Å
52R79.8Confident80.7Confident122 Ų12268.8 Ų68.846%0.4635%0.348SS..EExtended strand (participates in β ladder)trans-112.3156.9-178.5-69-171.4172169.9-0.1111.7V50 H75 L76 T110V50-R52 HydrophobicContact CG1-CG 4.31Å; R52-H75 PolarHBondContact NE-ND1 3.09Å; R52-H75 VanDerWaalsContact NE-ND1 3.16Å; R52-H75 PolarHBondContact NH2-CE1 3.11Å; R52-H75 PolarHBondContact NH2-ND1 2.89Å; R52-H75 VanDerWaalsContact NH2-ND1 3.14Å; R52-H75 PolarHBondContact NH2-NE2 3.47Å; R52-L76 PolarHBondContact N-O 2.95Å; R52-T110 VanDerWaalsContact C-CG2 3.46Å
53E74.6Confident80.1Confident105 Ų10563.5 Ų63.549%0.49133%0.334SS..PPolyproline II helixtrans-57.9155.1174.1-67.8-170.8172.300111.8C55 T110 V111E53-C55 PolarHBondContact O-N 3.35Å; E53-C55 VanDerWaalsContact O-N 3.13Å; E53-T110 HydrophobicContact CB-CG2 4.38Å; E53-T110 HydrophobicContact CG-CG2 3.66Å; E53-T110 VanDerWaalsContact N-CG2 3.32Å; E53-V111 PolarHBondContact OE1-N 3.12Å
54S71.3Confident79.8Confident73 Ų7358.5 Ų58.551%0.5131%0.312SS..PPolyproline II helixtrans-54.9120.5178.1-177.40000110.4
55C74.2Confident79.5Confident41 Ų4161 Ų6128%0.27733%0.327SS..PPolyproline II helixtrans-65.7140.417661.80000110.9E53 L57 C60 C77 H82E53-C55 PolarHBondContact O-N 3.35Å; E53-C55 VanDerWaalsContact O-N 3.13Å; C55-L57 VanDerWaalsContact C-N 3.34Å; C55-C60 HydrophobicContact CB-CB 4.49Å; C55-C60 VanDerWaalsContact SG-CB 3.6Å; C55-C77 PolarHBondContact N-SG 2.62Å; C55-C77 VanDerWaalsContact N-SG 3.39Å; C55-C77 PolarHBondContact SG-SG 3.45Å; C55-H82 PolarHBondContact SG-ND1 3.1Å
56L63.3Low78.8Confident179 Ų17960.1 Ų60.194%0.93733%0.326SS*.SBendtrans-89.34.5174.4-71.3168.2000113.2
57L58.9Low78Confident129 Ų12964.9 Ų64.968%0.67535%0.348SS*.SBendtrans-131.9153.5-166.1-73.6162.8000112.7C55 D59C55-L57 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 2.72Å
58S58.9Low77.1Confident104 Ų10467.5 Ų67.573%0.72738%0.377SS*.SBendtrans-63.4-13.817552.10000114.5C60S58-C60 PolarHBondContact O-N 3.25Å
59D58.7Low76.1Confident120 Ų12068.9 Ų68.964%0.64239%0.393SS*.  trans-100.139.9-173-64.9-8.4000111.9L57 Q61L57-D59 PolarHBondContact O-N 2.72Å; D59-Q61 VanDerWaalsContact C-N 3.26Å; D59-Q61 PolarHBondContact O-N 3.48Å
60C71.9Confident75.7Confident32 Ų3274.1 Ų74.122%0.21642%0.415CS..  trans-67.887.3171.6-168.90000109.7C55 S58 F62 C77 H82C55-C60 HydrophobicContact CB-CB 4.49Å; C55-C60 VanDerWaalsContact SG-CB 3.6Å; S58-C60 PolarHBondContact O-N 3.25Å; C60-F62 PolarHBondContact O-N 3.14Å; C60-C77 WeakPolarHBondContact SG-CB 3.18Å; C60-H82 WeakPolarHBondContact CB-CE1 3.29Å; C60-H82 VanDerWaalsContact CB-ND1 3.32Å; C60-H82 WeakPolarHBondContact CB-ND1 3.41Å
61Q71Confident75.8Confident156 Ų15678.7 Ų78.773%0.72943%0.433SS*.  trans-82.2120.6-179.9-65.6-174.725.400109.9D59D59-Q61 VanDerWaalsContact C-N 3.26Å; D59-Q61 PolarHBondContact O-N 3.48Å
62F80.2Confident76.1Confident18 Ų1878.6 Ų78.68%0.07943%0.432CS..  trans-94.9101.7165.5-178.1-87.1000108L28 C60 V74 L76 Q86 L89 L90L28-F62 HydrophobicContact CD1-CD1 3.6Å; L28-F62 HydrophobicContact CD1-CE1 3.47Å; L28-F62 VanDerWaalsContact CD1-CE1 3.47Å; C60-F62 PolarHBondContact O-N 3.14Å; F62-V74 HydrophobicContact CD2-CG1 4.21Å; F62-V74 HydrophobicContact CE2-CG1 3.27Å; F62-V74 HydrophobicContact CZ-CG1 3.5Å; F62-V74 VanDerWaalsContact CZ-CG1 3.5Å; F62-L76 HydrophobicContact CD2-CD2 4.31Å; F62-L76 HydrophobicContact CE2-CD2 3.68Å; F62-Q86 HydrophobicContact CB-CG 4.13Å; F62-Q86 HydrophobicContact CD2-CB 4.01Å; F62-Q86 HydrophobicContact CD2-CG 3.79Å; F62-Q86 HydrophobicContact CE2-CB 4.37Å; F62-Q86 HydrophobicContact CG-CG 4.24Å; F62-L89 HydrophobicContact CB-CD1 3.99Å; F62-L89 HydrophobicContact CD1-CB 3.54Å; F62-L89 HydrophobicContact CD1-CD1 3.79Å; F62-L89 HydrophobicContact CD1-CG 4.3Å; F62-L89 HydrophobicContact CE1-CB 3.59Å; F62-L89 HydrophobicContact CG-CB 4.38Å; F62-L89 HydrophobicContact CG-CD1 4.17Å; F62-L89 HydrophobicContact CZ-CB 4.45Å; F62-L90 HydrophobicContact CE2-CB 4.46Å; F62-L90 HydrophobicContact CZ-CB 3.84Å; F62-L90 HydrophobicContact CZ-CD1 4.15Å
63A79.3Confident76.6Confident26 Ų2674 Ų7422%0.21542%0.416CS..  trans-142.4132.7173.700000108.6
64P85Confident77.5Confident0 Ų069 Ų690%039%0.393CS..  trans-69.113517325.1-28000109.3L24 A25 L28 Y41 H73 V74 L93L24-P64 CarbonylContact C-O 3.33Å; L24-P64 HydrophobicContact CB-CG 4.37Å; A25-P64 WeakPolarHBondContact CA-O 3.35Å; A25-P64 PolarHBondContact N-O 3.33Å; L28-P64 HydrophobicContact CD1-CG 4.35Å; Y41-P64 HydrophobicContact CE1-CG 4.41Å; Y41-P64 WeakPolarHBondContact OH-CG 3.47Å; P64-H73 CarbonylContact C-O 3.53Å; P64-H73 WeakPolarHBondContact CA-O 3.23Å; P64-V74 HydrophobicContact CB-CG2 4.2Å; P64-L93 HydrophobicContact CG-CD2 4.4Å
65T86.3Confident78.3Confident58 Ų5867.2 Ų67.236%0.35638%0.376SS..EExtended strand (participates in β ladder)trans-108.8139.9174.554.50000109.3A72 H73T65-A72 CarbonylContact O-C 3.48Å; T65-A72 VanDerWaalsContact O-CA 3.27Å; T65-A72 WeakPolarHBondContact O-CA 3.35Å; T65-H73 PolarHBondContact N-O 3.01Å; T65-H73 PolarHBondContact O-N 3.13Å; T65-H73 WeakPolarHBondContact OG1-CB 3.28Å
66G81.9Confident78.9Confident20 Ų2065.5 Ų65.521%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-83142.7176.300000112.3W71G66-W71 WeakPolarHBondContact CA-O 3.5Å
67E80.5Confident79.9Confident103 Ų10357.5 Ų57.548%0.48132%0.323SS..EExtended strand (participates in β ladder)trans-120.6101.3164.3-171.9-177.9160.500108.9R48 W71 H73R48-E67 IonicContact NH1-OE2 3.77Å; E67-W71 HydrophobicContact CB-CB 4.01Å; E67-W71 PolarHBondContact N-O 2.79Å; E67-W71 VanDerWaalsContact O-CB 3.28Å; E67-W71 WeakPolarHBondContact O-CB 3.34Å; E67-H73 IonicContact OE2-CE1 2.86Å; E67-H73 PolarHBondContact OE2-CE1 2.67Å; E67-H73 IonicContact OE2-NE2 3.03Å; E67-H73 PolarHBondContact OE2-NE2 2.89Å
68G77Confident80.9Confident62 Ų6252.9 Ų52.964%0.63930%0.3SS*.THydrogen-bonded Turntrans65.5-149.5-171.900000112.8
69T73.4Confident81.9Confident95 Ų9548.8 Ų48.858%0.58327%0.271SS*.THydrogen-bonded Turntrans-89.6-21.2-167490000115.2
70F86.7Confident82.7Confident111 Ų11148.5 Ų48.549%0.48727%0.27SS..THydrogen-bonded Turntrans-129.3-11.6-169.7-47.9-67.6000114.2F43 V44 T45 A46F43-F70 WeakPolarHBondContact O-CD1 3.28Å; V44-F70 WeakPolarHBondContact CA-O 3.25Å; T45-F70 PolarHBondContact N-O 3.33Å; T45-F70 VanDerWaalsContact N-O 3.09Å; A46-F70 PolarHBondContact N-O 3.5Å
71W91.7Very high83.1Confident97 Ų9751.4 Ų51.437%0.36730%0.296SS..EExtended strand (participates in β ladder)trans-97138.4-180-69.678.9000111.6A46 R48 G66 E67A46-W71 HydrophobicContact CB-CD2 3.33Å; A46-W71 VanDerWaalsContact CB-CE2 3.41Å; A46-W71 HydrophobicContact CB-CE3 3.62Å; A46-W71 HydrophobicContact CB-CG 3.77Å; A46-W71 HydrophobicContact CB-CH2 4.03Å; A46-W71 HydrophobicContact CB-CZ2 3.77Å; A46-W71 HydrophobicContact CB-CZ3 3.96Å; A46-W71 CarbonylContact O-C 3.34Å; A46-W71 VanDerWaalsContact O-CA 3.28Å; A46-W71 WeakPolarHBondContact O-CA 3.45Å; R48-W71 HydrophobicContact CB-CZ3 4.45Å; G66-W71 WeakPolarHBondContact CA-O 3.5Å; E67-W71 HydrophobicContact CB-CB 4.01Å; E67-W71 PolarHBondContact N-O 2.79Å; E67-W71 VanDerWaalsContact O-CB 3.28Å; E67-W71 WeakPolarHBondContact O-CB 3.34Å
72A92.7Very high83.7Confident0 Ų046 Ų460%027%0.27CS..EExtended strand (participates in β ladder)trans-124142.9163.100000110.7L24 V44 A46 W47 R48 T65L24-A72 HydrophobicContact CD1-CB 4.19Å; V44-A72 HydrophobicContact CG1-CB 3.44Å; V44-A72 VanDerWaalsContact CG1-CB 3.44Å; A46-A72 PolarHBondContact O-N 2.89Å; W47-A72 WeakPolarHBondContact CA-O 3.3Å; W47-A72 HydrophobicContact CD2-CB 4.28Å; W47-A72 HydrophobicContact CE3-CB 3.92Å; W47-A72 HydrophobicContact CH2-CB 4.03Å; W47-A72 HydrophobicContact CZ2-CB 4.34Å; W47-A72 HydrophobicContact CZ3-CB 3.8Å; R48-A72 PolarHBondContact N-O 3.13Å; T65-A72 CarbonylContact O-C 3.48Å; T65-A72 VanDerWaalsContact O-CA 3.27Å; T65-A72 WeakPolarHBondContact O-CA 3.35Å
73H92.2Very high83.9Confident25 Ų2545.7 Ų45.712%0.11627%0.273CS..EExtended strand (participates in β ladder)trans-107.3134.2172.2-65.2-176000109.6R48 P64 T65 E67R48-H73 PolarHBondContact NH1-CE1 2.88Å; R48-H73 VanDerWaalsContact NH1-CE1 3.3Å; R48-H73 PolarHBondContact NH1-NE2 2.9Å; R48-H73 CarbonylContact O-C 3.58Å; R48-H73 VanDerWaalsContact O-CA 3.26Å; R48-H73 WeakPolarHBondContact O-CA 3.24Å; P64-H73 CarbonylContact C-O 3.53Å; P64-H73 WeakPolarHBondContact CA-O 3.23Å; T65-H73 PolarHBondContact N-O 3.01Å; T65-H73 PolarHBondContact O-N 3.13Å; T65-H73 WeakPolarHBondContact OG1-CB 3.28Å; E67-H73 IonicContact OE2-CE1 2.86Å; E67-H73 PolarHBondContact OE2-CE1 2.67Å; E67-H73 IonicContact OE2-NE2 3.03Å; E67-H73 PolarHBondContact OE2-NE2 2.89Å
74V91.6Very high84.3Confident1 Ų149.2 Ų49.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-118.9121.1171.4173.80000107.5W47 R48 V49 V50 F62 P64 L76 L90 L93W47-V74 HydrophobicContact CE3-CG2 3.92Å; W47-V74 HydrophobicContact CZ3-CG2 3.65Å; R48-V74 PolarHBondContact O-N 3.42Å; V49-V74 WeakPolarHBondContact CA-O 3.32Å; V50-V74 PolarHBondContact N-O 3.33Å; F62-V74 HydrophobicContact CD2-CG1 4.21Å; F62-V74 HydrophobicContact CE2-CG1 3.27Å; F62-V74 HydrophobicContact CZ-CG1 3.5Å; F62-V74 VanDerWaalsContact CZ-CG1 3.5Å; P64-V74 HydrophobicContact CB-CG2 4.2Å; V74-L76 HydrophobicContact CG1-CD2 4.01Å; V74-L76 HydrophobicContact CG1-CG 4.44Å; V74-L90 HydrophobicContact CG1-CD1 4.44Å; V74-L93 HydrophobicContact CG2-CD2 4.14Å
75H88.3Confident84.4Confident34 Ų3454.3 Ų54.316%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-97.5118.4178.7-62.4-68.9000110V50 R52V50-H75 WeakPolarHBondContact CB-ND1 3.31Å; V50-H75 WeakPolarHBondContact O-CA 3.22Å; R52-H75 PolarHBondContact NE-ND1 3.09Å; R52-H75 VanDerWaalsContact NE-ND1 3.16Å; R52-H75 PolarHBondContact NH2-CE1 3.11Å; R52-H75 PolarHBondContact NH2-ND1 2.89Å; R52-H75 VanDerWaalsContact NH2-ND1 3.14Å; R52-H75 PolarHBondContact NH2-NE2 3.47Å
76L87.2Confident84.6Confident5 Ų551.9 Ų51.93%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-100130.6179.6-60.5175.8000109.9V49 V50 R52 F62 V74 I121V49-L76 HydrophobicContact CG1-CD1 3.2Å; V49-L76 HydrophobicContact CG1-CG 3.83Å; V50-L76 PolarHBondContact O-N 3.34Å; R52-L76 PolarHBondContact N-O 2.95Å; F62-L76 HydrophobicContact CD2-CD2 4.31Å; F62-L76 HydrophobicContact CE2-CD2 3.68Å; V74-L76 HydrophobicContact CG1-CD2 4.01Å; V74-L76 HydrophobicContact CG1-CG 4.44Å; L76-I121 HydrophobicContact CD1-CD1 3.84Å; L76-I121 HydrophobicContact CD1-CG2 3.68Å; L76-I121 HydrophobicContact CD2-CD1 4.3Å
77C84.3Confident85Confident12 Ų1252 Ų528%0.08130%0.295CS..EExtended strand (participates in β ladder)trans-96.8128.8175.1-172.20000108.6C55 C60 C79 Q86C55-C77 PolarHBondContact N-SG 2.62Å; C55-C77 VanDerWaalsContact N-SG 3.39Å; C55-C77 PolarHBondContact SG-SG 3.45Å; C60-C77 WeakPolarHBondContact SG-CB 3.18Å; C77-C79 PolarHBondContact O-N 3.44Å; C77-C79 PolarHBondContact SG-SG 2.92Å; C77-Q86 PolarHBondContact O-OE1 3.11Å
78V81.1Confident85.6Confident32 Ų3250.1 Ų50.119%0.19429%0.293CS..  trans-77.93.5-177.6-63.90000115I51I51-V78 HydrophobicContact CG2-CG1 3.28Å
79C78.5Confident86.3Confident17 Ų1749.2 Ų49.212%0.11527%0.273CS..  trans-73.5133.9179.665.20000111.4C77 A81 H82 G83C77-C79 PolarHBondContact O-N 3.44Å; C77-C79 PolarHBondContact SG-SG 2.92Å; C79-A81 PolarHBondContact O-N 3.43Å; C79-A81 VanDerWaalsContact O-N 3.14Å; C79-H82 PolarHBondContact O-N 3.12Å; C79-H82 VanDerWaalsContact O-N 3.11Å; C79-H82 VanDerWaalsContact SG-CB 3.53Å; C79-H82 VanDerWaalsContact SG-CG 3.53Å; C79-H82 PolarHBondContact SG-ND1 3.38Å; C79-G83 PolarHBondContact O-N 3.14Å; C79-G83 VanDerWaalsContact O-N 3.09Å
80D75.9Confident87.2Confident115 Ų11544.7 Ų44.762%0.61525%0.246SC*.Hα-helixtrans-59.8-30.2-179.7-66.1-41.3000112.5H82 G83 R144D80-H82 VanDerWaalsContact C-N 3.29Å; D80-H82 PolarHBondContact O-N 2.86Å; D80-G83 PolarHBondContact O-N 3.5Å; D80-R144 IonicContact OD1-CZ 3.29Å; D80-R144 VanDerWaalsContact OD1-CZ 3.29Å; D80-R144 IonicContact OD1-NH1 2.74Å; D80-R144 PolarHBondContact OD1-NH1 3.22Å; D80-R144 IonicContact OD1-NH2 2.9Å; D80-R144 PolarHBondContact OD1-NH2 2.86Å
81A80.4Confident87.7Confident92 Ų9243.3 Ų43.376%0.7624%0.241SC*.Hα-helixtrans-63.8-29.8179.100000114C79C79-A81 PolarHBondContact O-N 3.43Å; C79-A81 VanDerWaalsContact O-N 3.14Å
82H84.5Confident87.8Confident42 Ų4241.2 Ų41.219%0.19424%0.239CC..Hα-helixtrans-106.6-13179.8-58124000113.1C55 C60 C79 D80 D84 L85 Q86C55-H82 PolarHBondContact SG-ND1 3.1Å; C60-H82 WeakPolarHBondContact CB-CE1 3.29Å; C60-H82 VanDerWaalsContact CB-ND1 3.32Å; C60-H82 WeakPolarHBondContact CB-ND1 3.41Å; C79-H82 PolarHBondContact O-N 3.12Å; C79-H82 VanDerWaalsContact O-N 3.11Å; C79-H82 VanDerWaalsContact SG-CB 3.53Å; C79-H82 VanDerWaalsContact SG-CG 3.53Å; C79-H82 PolarHBondContact SG-ND1 3.38Å; D80-H82 VanDerWaalsContact C-N 3.29Å; D80-H82 PolarHBondContact O-N 2.86Å; H82-D84 PolarHBondContact O-N 3.03Å; H82-L85 PolarHBondContact O-N 2.91Å; H82-Q86 HydrophobicContact CB-CG 4.42Å; H82-Q86 WeakPolarHBondContact O-CB 3.25Å; H82-Q86 WeakPolarHBondContact O-CG 3.35Å; H82-Q86 PolarHBondContact O-N 2.89Å
83G83.6Confident87.8Confident13 Ų1341.2 Ų41.213%0.13424%0.239CC..Hα-helixtrans-54.6-47.7-174.600000113.9C79 D80 Q86 L87C79-G83 PolarHBondContact O-N 3.14Å; C79-G83 VanDerWaalsContact O-N 3.09Å; D80-G83 PolarHBondContact O-N 3.5Å; G83-Q86 PolarHBondContact O-N 3.39Å; G83-L87 VanDerWaalsContact O-CB 3.31Å; G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 PolarHBondContact O-N 3.31Å
84D87.9Confident88Confident100 Ų10040.1 Ų40.154%0.53523%0.234SC..Hα-helixtrans-69.2-36.3-178.8-70.3-28000112.7H82 S88 R120H82-D84 PolarHBondContact O-N 3.03Å; D84-S88 PolarHBondContact O-N 2.85Å; D84-S88 VanDerWaalsContact O-N 3.09Å; D84-R120 IonicContact OD1-CZ 3.37Å; D84-R120 IonicContact OD1-NH1 2.9Å; D84-R120 PolarHBondContact OD1-NH1 2.94Å; D84-R120 IonicContact OD1-NH2 2.88Å; D84-R120 PolarHBondContact OD1-NH2 3.47Å
85L87.6Confident88.2Confident107 Ų10746.1 Ų46.156%0.5626%0.262SS*.Hα-helixtrans-67.2-45.6175.2178.162.6000111H82 L87 S88 L89H82-L85 PolarHBondContact O-N 2.91Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.25Å; L85-S88 PolarHBondContact O-N 3.09Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.32Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.48Å
86Q88.8Confident88.5Confident6 Ų646 Ų463%0.02826%0.264CS..Hα-helixtrans-62.6-40177.7-71.9-171.5-21.600111.5F62 C77 H82 G83 L89 L90F62-Q86 HydrophobicContact CB-CG 4.13Å; F62-Q86 HydrophobicContact CD2-CB 4.01Å; F62-Q86 HydrophobicContact CD2-CG 3.79Å; F62-Q86 HydrophobicContact CE2-CB 4.37Å; F62-Q86 HydrophobicContact CG-CG 4.24Å; C77-Q86 PolarHBondContact O-OE1 3.11Å; H82-Q86 HydrophobicContact CB-CG 4.42Å; H82-Q86 WeakPolarHBondContact O-CB 3.25Å; H82-Q86 WeakPolarHBondContact O-CG 3.35Å; H82-Q86 PolarHBondContact O-N 2.89Å; G83-Q86 PolarHBondContact O-N 3.39Å; Q86-L89 PolarHBondContact O-N 3.38Å; Q86-L90 VanDerWaalsContact O-CB 3.23Å; Q86-L90 WeakPolarHBondContact O-CB 3.22Å; Q86-L90 PolarHBondContact O-N 3.02Å
87L91.2Very high88.9Confident24 Ų2445.8 Ų45.813%0.12626%0.262CS..Hα-helixtrans-60.5-46.8175.3-174.167000111.4G83 L85 L90 E91 R120 I121 L124G83-L87 VanDerWaalsContact O-CB 3.31Å; G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 PolarHBondContact O-N 3.31Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.25Å; L87-L90 PolarHBondContact O-N 3.24Å; L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 3.08Å; L87-R120 HydrophobicContact CD1-CB 3.99Å; L87-R120 HydrophobicContact CD2-CB 3.82Å; L87-R120 HydrophobicContact CD2-CG 4.48Å; L87-I121 HydrophobicContact CD1-CG1 3.82Å; L87-L124 HydrophobicContact CD1-CD2 4.23Å
88S92.2Very high89.4Confident62 Ų6245.2 Ų45.243%0.43426%0.259SS..Hα-helixtrans-65.6-38.6178.9-178.80000113.3D84 L85 E91 T92D84-S88 PolarHBondContact O-N 2.85Å; D84-S88 VanDerWaalsContact O-N 3.09Å; L85-S88 PolarHBondContact O-N 3.09Å; S88-E91 PolarHBondContact O-N 3.49Å; S88-T92 PolarHBondContact O-N 3.18Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 3.35Å
89L91.8Very high90.1Very high43 Ų4348.4 Ų48.423%0.22527%0.271CS..Hα-helixtrans-68.4-40.3175.2-70.5173.1000111.5F62 L85 Q86 E91 T92 L93F62-L89 HydrophobicContact CB-CD1 3.99Å; F62-L89 HydrophobicContact CD1-CB 3.54Å; F62-L89 HydrophobicContact CD1-CD1 3.79Å; F62-L89 HydrophobicContact CD1-CG 4.3Å; F62-L89 HydrophobicContact CE1-CB 3.59Å; F62-L89 HydrophobicContact CG-CB 4.38Å; F62-L89 HydrophobicContact CG-CD1 4.17Å; F62-L89 HydrophobicContact CZ-CB 4.45Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.32Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.48Å; Q86-L89 PolarHBondContact O-N 3.38Å; L89-E91 VanDerWaalsContact C-N 3.35Å; L89-T92 PolarHBondContact O-N 3.04Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.16Å; L89-L93 PolarHBondContact O-N 3.38Å
90L94Very high91Very high1 Ų151.6 Ų51.61%0.00528%0.281CS..Hα-helixtrans-64.8-39.5175.5-176.461.6000111.4F62 V74 Q86 L87 L93 L94 I121 L124F62-L90 HydrophobicContact CE2-CB 4.46Å; F62-L90 HydrophobicContact CZ-CB 3.84Å; F62-L90 HydrophobicContact CZ-CD1 4.15Å; V74-L90 HydrophobicContact CG1-CD1 4.44Å; Q86-L90 VanDerWaalsContact O-CB 3.23Å; Q86-L90 WeakPolarHBondContact O-CB 3.22Å; Q86-L90 PolarHBondContact O-N 3.02Å; L87-L90 PolarHBondContact O-N 3.24Å; L90-L93 HydrophobicContact CD1-CD2 4.31Å; L90-L93 WeakPolarHBondContact O-CB 3.3Å; L90-L93 PolarHBondContact O-N 3.26Å; L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CD2 4.48Å; L90-L94 HydrophobicContact CD1-CG 3.94Å; L90-L94 HydrophobicContact CD2-CD1 4.36Å; L90-L94 HydrophobicContact CG-CD1 3.77Å; L90-L94 HydrophobicContact CG-CG 4.18Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.02Å; L90-I121 HydrophobicContact CD2-CG2 3.72Å; L90-L124 HydrophobicContact CB-CD2 4.03Å; L90-L124 HydrophobicContact CD2-CD2 3.92Å; L90-L124 HydrophobicContact CG-CD2 3.7Å
91E95.7Very high91.9Very high82 Ų8246.1 Ų46.138%0.38325%0.252SS..Hα-helixtrans-60.9-52.1175179.2170.4-149.500110.9L87 S88 L89 L93 L94 E95 L124L87-E91 WeakPolarHBondContact O-CB 3.33Å; L87-E91 PolarHBondContact O-N 3.08Å; S88-E91 PolarHBondContact O-N 3.49Å; L89-E91 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 3.33Å; E91-L94 PolarHBondContact O-N 2.98Å; E91-L94 VanDerWaalsContact O-N 3.12Å; E91-E95 WeakPolarHBondContact O-CG 3.5Å; E91-E95 PolarHBondContact O-N 3.25Å; E91-L124 HydrophobicContact CB-CD1 3.78Å; E91-L124 HydrophobicContact CB-CD2 3.95Å; E91-L124 HydrophobicContact CB-CG 4.47Å; E91-L124 HydrophobicContact CG-CD1 3.82Å
92T93.4Very high92.8Very high52 Ų5244.9 Ų44.932%0.31923%0.233SC..Hα-helixtrans-54.9-39.5176.1-56.80000112F34 S88 L89F34-T92 HydrophobicContact CD1-CG2 4.25Å; F34-T92 HydrophobicContact CE1-CG2 3.8Å; F34-T92 HydrophobicContact CZ-CG2 4.02Å; F34-T92 WeakPolarHBondContact CZ-O 3.23Å; S88-T92 PolarHBondContact O-N 3.18Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 3.35Å; L89-T92 PolarHBondContact O-N 3.04Å
93L94.6Very high93.4Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-67.2-49.8178176.561.5000111.8Y41 W47 P64 V74 L89 L90 E91 V96 A97Y41-L93 HydrophobicContact CD1-CD1 4.04Å; Y41-L93 HydrophobicContact CD2-CD1 4.21Å; Y41-L93 HydrophobicContact CE1-CD1 3.36Å; Y41-L93 HydrophobicContact CE2-CD1 3.6Å; Y41-L93 HydrophobicContact CG-CD1 4.43Å; Y41-L93 WeakPolarHBondContact OH-CD1 3.49Å; W47-L93 HydrophobicContact CH2-CD1 4.08Å; W47-L93 HydrophobicContact CH2-CD2 3.93Å; W47-L93 HydrophobicContact CH2-CG 4.11Å; W47-L93 HydrophobicContact CZ3-CD2 3.79Å; W47-L93 HydrophobicContact CZ3-CG 4.42Å; P64-L93 HydrophobicContact CG-CD2 4.4Å; V74-L93 HydrophobicContact CG2-CD2 4.14Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.16Å; L89-L93 PolarHBondContact O-N 3.38Å; L90-L93 HydrophobicContact CD1-CD2 4.31Å; L90-L93 WeakPolarHBondContact O-CB 3.3Å; L90-L93 PolarHBondContact O-N 3.26Å; E91-L93 PolarHBondContact O-N 3.33Å; L93-V96 PolarHBondContact O-N 2.95Å; L93-A97 HydrophobicContact CD1-CB 4.42Å; L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 3.07Å
94L95.5Very high94.1Very high3 Ų346.1 Ų46.12%0.01624%0.235CC..Hα-helixtrans-71.7-27.6-175.3-70.9177.1000113.1L90 E91 V96 A97 G98 L124 L125 H128L90-L94 HydrophobicContact CD1-CD1 3.93Å; L90-L94 HydrophobicContact CD1-CD2 4.48Å; L90-L94 HydrophobicContact CD1-CG 3.94Å; L90-L94 HydrophobicContact CD2-CD1 4.36Å; L90-L94 HydrophobicContact CG-CD1 3.77Å; L90-L94 HydrophobicContact CG-CG 4.18Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 3.02Å; E91-L94 PolarHBondContact O-N 2.98Å; E91-L94 VanDerWaalsContact O-N 3.12Å; L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.17Å; L94-A97 PolarHBondContact O-N 3.12Å; L94-G98 WeakPolarHBondContact O-CA 3.43Å; L94-G98 PolarHBondContact O-N 3.09Å; L94-L124 HydrophobicContact CD1-CD2 3.72Å; L94-L124 HydrophobicContact CD1-CG 3.92Å; L94-L125 HydrophobicContact CD1-CD2 3.78Å; L94-L125 HydrophobicContact CD1-CG 4.25Å; L94-L125 HydrophobicContact CD2-CD2 4.18Å; L94-H128 HydrophobicContact CB-CB 3.76Å; L94-H128 HydrophobicContact CD1-CB 4.47Å
95E95.9Very high94.5Very high127 Ų12741.5 Ų41.559%0.59321%0.21SC*.Hα-helixtrans-54.5-31.4169.8-79.6-176.3166.700112.4E91E91-E95 WeakPolarHBondContact O-CG 3.5Å; E91-E95 PolarHBondContact O-N 3.25Å
96V95.1Very high94.9Very high32 Ų3236.5 Ų36.519%0.19418%0.184CC..Hα-helixtrans-97.2-48.3176.7-177.10000111.7F34 K38 L93 L94 Q99 Y100F34-V96 HydrophobicContact CE1-CG2 3.97Å; F34-V96 HydrophobicContact CZ-CB 4.43Å; F34-V96 HydrophobicContact CZ-CG2 3.85Å; K38-V96 HydrophobicContact CB-CG1 4.14Å; K38-V96 HydrophobicContact CD-CG2 4.33Å; L93-V96 PolarHBondContact O-N 2.95Å; L94-V96 PolarHBondContact O-N 3.06Å; L94-V96 VanDerWaalsContact O-N 3.17Å; V96-Q99 PolarHBondContact O-NE2 3.46Å; V96-Y100 WeakPolarHBondContact O-CD2 3.4Å; V96-Y100 VanDerWaalsContact O-CE2 3.3Å; V96-Y100 WeakPolarHBondContact O-CE2 3.33Å
97A94.8Very high95Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-87.1-29-167.100000114Y41 W47 L93 L94 Q99 Y100 A101Y41-A97 HydrophobicContact CD1-CB 3.9Å; Y41-A97 HydrophobicContact CG-CB 3.88Å; W47-A97 HydrophobicContact CH2-CB 4.08Å; W47-A97 HydrophobicContact CZ2-CB 3.56Å; L93-A97 HydrophobicContact CD1-CB 4.42Å; L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 3.07Å; L94-A97 PolarHBondContact O-N 3.12Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 2.99Å; A97-Y100 PolarHBondContact O-N 2.82Å; A97-A101 PolarHBondContact O-N 2.92Å
98G95.6Very high95Very high0 Ų037.2 Ų37.20%019%0.187CC..G310 helixtrans-58-38.6-17000000113.3L94 Y100 A101 H128 C129L94-G98 WeakPolarHBondContact O-CA 3.43Å; L94-G98 PolarHBondContact O-N 3.09Å; G98-Y100 PolarHBondContact O-N 3.48Å; G98-Y100 VanDerWaalsContact O-N 3.09Å; G98-A101 WeakPolarHBondContact O-CB 3.47Å; G98-A101 PolarHBondContact O-N 3.34Å; G98-A101 VanDerWaalsContact O-N 3.08Å; G98-H128 CarbonylContact C-O 3.21Å; G98-C129 WeakPolarHBondContact O-CA 3.49Å
99Q95.4Very high94.4Very high98 Ų9840.1 Ų40.146%0.45819%0.194SC..G310 helixtrans-61.5-21178.467.7-177.3-32.100114.3V96 A97 S131V96-Q99 PolarHBondContact O-NE2 3.46Å; A97-Q99 VanDerWaalsContact C-N 3.29Å; A97-Q99 PolarHBondContact O-N 2.99Å; Q99-S131 VanDerWaalsContact O-CB 3.3Å; Q99-S131 WeakPolarHBondContact O-CB 3.5Å; Q99-S131 PolarHBondContact O-OG 3.02Å
100Y96.1Very high93.7Very high84 Ų8438.4 Ų38.433%0.32919%0.185SC..G310 helixtrans-96.5-13.2179.9-53.8-64.4000113R42 V96 A97 G98 L102R42-Y100 HydrophobicContact CB-CD2 4.47Å; R42-Y100 HydrophobicContact CB-CE1 4.28Å; R42-Y100 HydrophobicContact CB-CE2 4.12Å; V96-Y100 WeakPolarHBondContact O-CD2 3.4Å; V96-Y100 VanDerWaalsContact O-CE2 3.3Å; V96-Y100 WeakPolarHBondContact O-CE2 3.33Å; A97-Y100 PolarHBondContact O-N 2.82Å; G98-Y100 PolarHBondContact O-N 3.48Å; G98-Y100 VanDerWaalsContact O-N 3.09Å; Y100-L102 PolarHBondContact O-N 3.43Å
101A96.7Very high92.6Very high0 Ų042.6 Ų42.60%021%0.21CC..  trans-66.3124.3179.300000110.7A97 G98 C129 S131 L132A97-A101 PolarHBondContact O-N 2.92Å; G98-A101 WeakPolarHBondContact O-CB 3.47Å; G98-A101 PolarHBondContact O-N 3.34Å; G98-A101 VanDerWaalsContact O-N 3.08Å; A101-C129 HydrophobicContact CB-CB 4.24Å; A101-S131 CarbonylContact O-C 3.51Å; A101-L132 HydrophobicContact CB-CD1 4.26Å; A101-L132 WeakPolarHBondContact O-CA 3.27Å; A101-L132 PolarHBondContact O-N 2.77Å
102L97.8Very high91.3Very high67 Ų6745.6 Ų45.635%0.35123%0.229SC..  trans-111.1-31.4175.4-58.1-177.7000111.4T45 Y100 S131 A133 S134T45-L102 HydrophobicContact CG2-CD1 4.11Å; T45-L102 HydrophobicContact CG2-CG 4.33Å; T45-L102 PolarHBondContact O-N 3.42Å; Y100-L102 PolarHBondContact O-N 3.43Å; L102-S131 WeakPolarHBondContact CD2-O 3.28Å; L102-A133 WeakPolarHBondContact O-CA 3.33Å; L102-A133 PolarHBondContact O-N 2.94Å; L102-S134 PolarHBondContact O-N 2.9Å
103H97.9Very high89.9Confident79 Ų7943.6 Ų43.637%0.36622%0.219SC..EExtended strand (participates in β ladder)trans-127.4130.1178.7-53.3-82000109.7T45 A46 W47 S134T45-H103 PolarHBondContact O-N 2.74Å; A46-H103 CarbonylContact C-O 3.56Å; A46-H103 WeakPolarHBondContact CA-O 3.34Å; A46-H103 HydrophobicContact CB-CB 4.09Å; W47-H103 PolarHBondContact N-O 2.95Å; H103-S134 WeakPolarHBondContact CA-O 3.45Å; H103-S134 VanDerWaalsContact ND1-CB 3.35Å; H103-S134 WeakPolarHBondContact ND1-CB 3.42Å
104L97.7Very high88.8Confident2 Ų252.2 Ų52.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-133.3122.9176.6176.362.6000108.6W47 V49 V106 L125 L132 S134 L135 Q136W47-L104 HydrophobicContact CB-CD1 3.79Å; W47-L104 CarbonylContact O-C 3.57Å; W47-L104 WeakPolarHBondContact O-CA 3.32Å; V49-L104 HydrophobicContact CG2-CD1 3.87Å; L104-V106 HydrophobicContact CG-CG2 4.49Å; L104-L125 HydrophobicContact CD1-CD2 4.17Å; L104-L125 HydrophobicContact CD2-CB 4.01Å; L104-L125 HydrophobicContact CD2-CD1 4.32Å; L104-L125 HydrophobicContact CD2-CD2 4.06Å; L104-L125 HydrophobicContact CD2-CG 4.36Å; L104-L132 HydrophobicContact CB-CD1 3.58Å; L104-L132 HydrophobicContact CB-CD2 3.92Å; L104-L132 HydrophobicContact CB-CG 4.38Å; L104-L132 HydrophobicContact CD2-CD2 4.41Å; L104-S134 PolarHBondContact N-O 3.28Å; L104-L135 HydrophobicContact CB-CD1 4.28Å; L104-L135 HydrophobicContact CD2-CD1 3.94Å; L104-L135 HydrophobicContact CG-CD1 4.12Å; L104-L135 WeakPolarHBondContact O-CA 3.46Å; L104-Q136 PolarHBondContact O-N 2.92Å
105S97.1Very high88Confident3 Ų352.3 Ų52.32%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-113.8132.7169.3-172.70000109.1W47 R48 V49 E107 Q136W47-S105 PolarHBondContact O-N 3.13Å; R48-S105 CarbonylContact C-O 3.57Å; R48-S105 WeakPolarHBondContact CA-O 3.05Å; V49-S105 PolarHBondContact N-O 2.97Å; S105-E107 WeakPolarHBondContact OG-CG 3.37Å; S105-E107 PolarHBondContact OG-OE1 2.95Å; S105-Q136 CarbonylContact C-O 3.57Å; S105-Q136 WeakPolarHBondContact CA-O 3.11Å
106V95.7Very high87.6Confident1 Ų147 Ų471%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-114.9119.5167.9-171.40000107.8V49 I51 L104 L122 L125 Q136 L137 Y138 V140V49-V106 HydrophobicContact CB-CG1 4.37Å; V49-V106 HydrophobicContact CB-CG2 4.21Å; V49-V106 HydrophobicContact CG1-CG1 4.29Å; V49-V106 WeakPolarHBondContact O-CA 3.2Å; I51-V106 HydrophobicContact CD1-CG1 4.07Å; L104-V106 HydrophobicContact CG-CG2 4.49Å; V106-L122 HydrophobicContact CG1-CD2 4.4Å; V106-L122 HydrophobicContact CG2-CD2 4.13Å; V106-L125 HydrophobicContact CG2-CD1 4.32Å; V106-Q136 PolarHBondContact N-O 3.07Å; V106-L137 HydrophobicContact CB-CD2 3.65Å; V106-L137 HydrophobicContact CG2-CD2 3.65Å; V106-Y138 PolarHBondContact O-N 2.67Å; V106-V140 HydrophobicContact CB-CG2 4.28Å; V106-V140 HydrophobicContact CG1-CG2 4.04Å; V106-V140 WeakPolarHBondContact O-CG2 3.48Å
107E91.8Very high87.4Confident38 Ų3845.6 Ų45.618%0.17823%0.225CC..EExtended strand (participates in β ladder)trans-125130.3-174.1-70166.2-143.700109.1R48 V49 V50 I51 S105 Y138R48-E107 IonicContact CZ-OE1 2.76Å; R48-E107 IonicContact NE-OE1 3.97Å; R48-E107 PolarHBondContact NE-OE1 3.2Å; R48-E107 IonicContact NE-OE2 2.81Å; R48-E107 PolarHBondContact NE-OE2 3.02Å; R48-E107 IonicContact NH2-OE1 3.84Å; V49-E107 PolarHBondContact O-N 3.03Å; V50-E107 WeakPolarHBondContact CA-O 3.26Å; I51-E107 PolarHBondContact N-O 3.18Å; S105-E107 WeakPolarHBondContact OG-CG 3.37Å; S105-E107 PolarHBondContact OG-OE1 2.95Å; E107-Y138 HydrophobicContact CG-CD2 4.16Å
108D89.1Confident87.2Confident7 Ų746.7 Ų46.74%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-100.7105.8170.9-169.1-22000109.8I51 T110 S115 Y138 N139I51-D108 HydrophobicContact CB-CB 4.38Å; I51-D108 HydrophobicContact CD1-CB 4.05Å; D108-T110 VanDerWaalsContact C-N 3.31Å; D108-T110 VanDerWaalsContact OD1-CB 3.24Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 VanDerWaalsContact OD1-CG2 3.3Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.12Å; D108-T110 PolarHBondContact OD1-N 3.24Å; D108-T110 PolarHBondContact OD1-OG1 2.89Å; D108-S115 PolarHBondContact OD1-OG 3.15Å; D108-S115 PolarHBondContact OD2-OG 2.95Å; D108-Y138 PolarHBondContact N-O 3.5Å; D108-N139 WeakPolarHBondContact CB-O 3.44Å; D108-N139 PolarHBondContact O-ND2 2.99Å; D108-N139 VanDerWaalsContact O-ND2 3.14Å
109E81.1Confident87.1Confident124 Ų12446.7 Ų46.758%0.57923%0.232SC*.  trans-89.97179.7-68.6-177.3166.700112.5V50 I51V50-E109 HydrophobicContact CG1-CB 4.33Å; V50-E109 VanDerWaalsContact CG1-CD 3.43Å; V50-E109 HydrophobicContact CG1-CG 3.82Å; V50-E109 WeakPolarHBondContact CG1-OE2 3.45Å; I51-E109 PolarHBondContact O-N 3.24Å
110T77.5Confident87.1Confident6 Ų646.7 Ų46.74%0.03723%0.227CC..  trans-79.3144.3-174.169.10000113.3R52 E53 D108 N112 S115R52-T110 VanDerWaalsContact C-CG2 3.46Å; E53-T110 HydrophobicContact CB-CG2 4.38Å; E53-T110 HydrophobicContact CG-CG2 3.66Å; E53-T110 VanDerWaalsContact N-CG2 3.32Å; D108-T110 VanDerWaalsContact C-N 3.31Å; D108-T110 VanDerWaalsContact OD1-CB 3.24Å; D108-T110 WeakPolarHBondContact OD1-CB 3.34Å; D108-T110 VanDerWaalsContact OD1-CG2 3.3Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.12Å; D108-T110 PolarHBondContact OD1-N 3.24Å; D108-T110 PolarHBondContact OD1-OG1 2.89Å; T110-N112 PolarHBondContact O-N 3.11Å; T110-S115 WeakPolarHBondContact CG2-OG 3.38Å; T110-S115 WeakPolarHBondContact OG1-CB 3.31Å; T110-S115 PolarHBondContact OG1-OG 3.49Å
111V69.8Low87Confident89 Ų8943.2 Ų43.254%0.53921%0.214SC..G310 helixtrans-70.3124.1-177.2-1770000109.7E53 G113E53-V111 PolarHBondContact OE1-N 3.12Å; V111-G113 PolarHBondContact O-N 3.33Å
112N68.7Low86.9Confident146 Ų14643.2 Ų43.278%0.78121%0.214SC*.G310 helixtrans59.823.9177.3-55.6-34.1000115T110 K114T110-N112 PolarHBondContact O-N 3.11Å; N112-K114 PolarHBondContact O-N 2.95Å
113G64.6Low86.9Confident10 Ų1042.7 Ų42.710%0.10321%0.21CC..G310 helixtrans65.326173.100000115.5V111 S115 N141 Y168V111-G113 PolarHBondContact O-N 3.33Å; G113-S115 PolarHBondContact O-N 3.21Å; G113-N141 PolarHBondContact O-ND2 3.16Å; G113-Y168 WeakPolarHBondContact CA-OH 3.45Å
114K71.2Confident86.9Confident181 Ų18139.5 Ų39.579%0.78720%0.195SC*.  trans-67.5-17.5177.8-72.1-176.3176.3178.50112.8N112N112-K114 PolarHBondContact O-N 2.95Å
115S79.4Confident86.8Confident4 Ų439.6 Ų39.63%0.02820%0.196CC..  trans-90.7149.9176.7107.90000109.4I51 D108 T110 G113 N141I51-S115 WeakPolarHBondContact CG2-OG 3.37Å; D108-S115 PolarHBondContact OD1-OG 3.15Å; D108-S115 PolarHBondContact OD2-OG 2.95Å; T110-S115 WeakPolarHBondContact CG2-OG 3.38Å; T110-S115 WeakPolarHBondContact OG1-CB 3.31Å; T110-S115 PolarHBondContact OG1-OG 3.49Å; G113-S115 PolarHBondContact O-N 3.21Å; S115-N141 WeakPolarHBondContact O-CB 3.46Å; S115-N141 PolarHBondContact O-ND2 3.08Å
116S87.2Confident86.8Confident15 Ų1539.7 Ų39.711%0.10520%0.196CC..  trans-135.7134.2169.3-178.20000109.7N141 S143 R144S116-N141 WeakPolarHBondContact CA-O 3.39Å; S116-N141 PolarHBondContact OG-O 3.17Å; S116-S143 PolarHBondContact OG-N 3.39Å; S116-R144 PolarHBondContact OG-N 3.43Å
117V90.1Very high86.8Confident3 Ų343.9 Ų43.92%0.01822%0.216CC..  trans-68.2134.6176.7730000109.6I51 G119 I121 L122 V140 N141 L142 V145I51-V117 HydrophobicContact CD1-CB 3.69Å; I51-V117 HydrophobicContact CD1-CG2 3.98Å; I51-V117 HydrophobicContact CG1-CB 4.46Å; I51-V117 HydrophobicContact CG1-CG2 4.38Å; V117-G119 PolarHBondContact O-N 3.43Å; V117-I121 HydrophobicContact CG2-CB 4.42Å; V117-L122 HydrophobicContact CG1-CD1 3.9Å; V117-L122 HydrophobicContact CG1-CG 4.21Å; V117-L122 HydrophobicContact CG2-CG 4.4Å; V117-V140 HydrophobicContact CB-CG1 4.23Å; V117-V140 HydrophobicContact CG1-CG1 3.67Å; V117-N141 PolarHBondContact N-O 2.96Å; V117-N141 VanDerWaalsContact N-O 3.08Å; V117-L142 HydrophobicContact CG1-CD2 4.19Å; V117-V145 HydrophobicContact CG1-CG2 3.56Å
118D90.4Very high87.1Confident24 Ų2444.3 Ų44.313%0.12822%0.217CC..  trans-65.5123.6169.5-171.3-36.2000109.2R120 I121D118-R120 PolarHBondContact O-N 3.06Å; D118-R120 VanDerWaalsContact O-N 3.11Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 3.39Å; D118-R120 VanDerWaalsContact OD1-CG 3.3Å; D118-R120 WeakPolarHBondContact OD1-CG 3.41Å; D118-R120 PolarHBondContact OD1-N 2.96Å; D118-R120 IonicContact OD1-NE 3.13Å; D118-R120 PolarHBondContact OD1-NE 3.36Å; D118-R120 VanDerWaalsContact OD1-NE 3.13Å; D118-R120 IonicContact OD2-CZ 3.23Å; D118-R120 VanDerWaalsContact OD2-CZ 3.23Å; D118-R120 IonicContact OD2-NE 3.01Å; D118-R120 PolarHBondContact OD2-NE 2.96Å; D118-R120 IonicContact OD2-NH2 2.67Å; D118-R120 PolarHBondContact OD2-NH2 2.97Å; D118-I121 HydrophobicContact CB-CD1 3.96Å; D118-I121 HydrophobicContact CB-CG1 4.11Å; D118-I121 WeakPolarHBondContact O-CB 3.49Å; D118-I121 PolarHBondContact O-N 3.33Å
119G94Very high87.4Confident0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-55.1-30.417900000113.8V117 I121 L122 Q123 R144 H149V117-G119 PolarHBondContact O-N 3.43Å; G119-I121 PolarHBondContact O-N 3.22Å; G119-L122 PolarHBondContact O-N 3.09Å; G119-Q123 PolarHBondContact O-N 3.03Å; G119-R144 PolarHBondContact N-O 3.12Å; G119-H149 WeakPolarHBondContact O-CB 3.5Å
120R95.1Very high87.9Confident98 Ų9841.4 Ų41.437%0.3721%0.211SC..Hα-helixtrans-60.5-30.8176.6-61.3177.2-69.5168.31.7112.3D84 L87 D118 L124D84-R120 IonicContact OD1-CZ 3.37Å; D84-R120 IonicContact OD1-NH1 2.9Å; D84-R120 PolarHBondContact OD1-NH1 2.94Å; D84-R120 IonicContact OD1-NH2 2.88Å; D84-R120 PolarHBondContact OD1-NH2 3.47Å; L87-R120 HydrophobicContact CD1-CB 3.99Å; L87-R120 HydrophobicContact CD2-CB 3.82Å; L87-R120 HydrophobicContact CD2-CG 4.48Å; D118-R120 PolarHBondContact O-N 3.06Å; D118-R120 VanDerWaalsContact O-N 3.11Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 3.39Å; D118-R120 VanDerWaalsContact OD1-CG 3.3Å; D118-R120 WeakPolarHBondContact OD1-CG 3.41Å; D118-R120 PolarHBondContact OD1-N 2.96Å; D118-R120 IonicContact OD1-NE 3.13Å; D118-R120 PolarHBondContact OD1-NE 3.36Å; D118-R120 VanDerWaalsContact OD1-NE 3.13Å; D118-R120 IonicContact OD2-CZ 3.23Å; D118-R120 VanDerWaalsContact OD2-CZ 3.23Å; D118-R120 IonicContact OD2-NE 3.01Å; D118-R120 PolarHBondContact OD2-NE 2.96Å; D118-R120 IonicContact OD2-NH2 2.67Å; D118-R120 PolarHBondContact OD2-NH2 2.97Å; R120-L124 VanDerWaalsContact O-CB 3.24Å; R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 PolarHBondContact O-N 3Å
121I93.9Very high88.8Confident11 Ų1142.1 Ų42.16%0.05622%0.216CC..Hα-helixtrans-69.4-46.8178.6-65.7174.7000110.8L76 L87 L90 V117 D118 G119 Q123 L124 L125L76-I121 HydrophobicContact CD1-CD1 3.84Å; L76-I121 HydrophobicContact CD1-CG2 3.68Å; L76-I121 HydrophobicContact CD2-CD1 4.3Å; L87-I121 HydrophobicContact CD1-CG1 3.82Å; L90-I121 HydrophobicContact CD2-CG2 3.72Å; V117-I121 HydrophobicContact CG2-CB 4.42Å; D118-I121 HydrophobicContact CB-CD1 3.96Å; D118-I121 HydrophobicContact CB-CG1 4.11Å; D118-I121 WeakPolarHBondContact O-CB 3.49Å; D118-I121 PolarHBondContact O-N 3.33Å; G119-I121 PolarHBondContact O-N 3.22Å; I121-Q123 VanDerWaalsContact C-N 3.33Å; I121-L124 PolarHBondContact O-N 3.34Å; I121-L125 HydrophobicContact CG2-CD1 4Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.36Å
122L95.7Very high90.1Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-63.6-42.1176.7-65.6-177.9000111.1V106 V117 G119 L124 L125 F126 L137 L142 V145 L150V106-L122 HydrophobicContact CG1-CD2 4.4Å; V106-L122 HydrophobicContact CG2-CD2 4.13Å; V117-L122 HydrophobicContact CG1-CD1 3.9Å; V117-L122 HydrophobicContact CG1-CG 4.21Å; V117-L122 HydrophobicContact CG2-CG 4.4Å; G119-L122 PolarHBondContact O-N 3.09Å; L122-L124 PolarHBondContact O-N 2.86Å; L122-L125 HydrophobicContact CD2-CD1 4.37Å; L122-L125 PolarHBondContact O-N 3.08Å; L122-F126 HydrophobicContact CB-CE2 4.42Å; L122-F126 HydrophobicContact CB-CZ 4.38Å; L122-F126 WeakPolarHBondContact O-CB 3.38Å; L122-F126 WeakPolarHBondContact O-CD1 3.32Å; L122-F126 WeakPolarHBondContact O-CG 3.37Å; L122-F126 PolarHBondContact O-N 2.87Å; L122-L137 HydrophobicContact CD2-CD2 4.42Å; L122-L142 HydrophobicContact CD1-CD2 3.73Å; L122-V145 HydrophobicContact CD1-CG1 4.23Å; L122-V145 HydrophobicContact CD1-CG2 4.08Å; L122-L150 HydrophobicContact CB-CD2 4.36Å; L122-L150 HydrophobicContact CD1-CD2 3.71Å
123Q97.3Very high91.5Very high55 Ų5531.8 Ų31.826%0.25716%0.16SC..Hα-helixtrans-56.7-50.7174.8177.5168.5-2.200111.3G119 I121 L125 F126 E127 H149 P152G119-Q123 PolarHBondContact O-N 3.03Å; I121-Q123 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 2.87Å; Q123-F126 PolarHBondContact O-N 2.82Å; Q123-F126 VanDerWaalsContact O-N 3.11Å; Q123-E127 HydrophobicContact CG-CG 4.35Å; Q123-E127 VanDerWaalsContact CG-OE1 3.28Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 3.03Å; Q123-E127 WeakPolarHBondContact O-CB 3.49Å; Q123-E127 WeakPolarHBondContact O-CG 3.21Å; Q123-E127 PolarHBondContact O-N 3.25Å; Q123-H149 WeakPolarHBondContact CA-O 3.33Å; Q123-H149 HydrophobicContact CB-CB 4.1Å; Q123-H149 PolarHBondContact OE1-CD2 3.14Å; Q123-P152 HydrophobicContact CG-CG 4.28Å
124L96.8Very high93.2Very high12 Ų1231.6 Ų31.66%0.06316%0.157CC..Hα-helixtrans-59.6-45.6179.8-173.286000112L87 L90 E91 L94 R120 I121 L122 F126 E127 H128L87-L124 HydrophobicContact CD1-CD2 4.23Å; L90-L124 HydrophobicContact CB-CD2 4.03Å; L90-L124 HydrophobicContact CD2-CD2 3.92Å; L90-L124 HydrophobicContact CG-CD2 3.7Å; E91-L124 HydrophobicContact CB-CD1 3.78Å; E91-L124 HydrophobicContact CB-CD2 3.95Å; E91-L124 HydrophobicContact CB-CG 4.47Å; E91-L124 HydrophobicContact CG-CD1 3.82Å; L94-L124 HydrophobicContact CD1-CD2 3.72Å; L94-L124 HydrophobicContact CD1-CG 3.92Å; R120-L124 VanDerWaalsContact O-CB 3.24Å; R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 PolarHBondContact O-N 3Å; I121-L124 PolarHBondContact O-N 3.34Å; L122-L124 PolarHBondContact O-N 2.86Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.35Å; L124-E127 PolarHBondContact O-N 2.83Å; L124-H128 PolarHBondContact O-N 2.83Å; L124-H128 VanDerWaalsContact O-N 3.14Å; L124-H128 PolarHBondContact O-ND1 2.99Å
125L96.6Very high94.5Very high4 Ų423 Ų232%0.02112%0.12CC..Hα-helixtrans-57.1-43.9174.8-74164.4000111V49 L94 L104 V106 I121 L122 Q123 C129V49-L125 HydrophobicContact CG2-CD1 4.2Å; V49-L125 HydrophobicContact CG2-CD2 4.26Å; L94-L125 HydrophobicContact CD1-CD2 3.78Å; L94-L125 HydrophobicContact CD1-CG 4.25Å; L94-L125 HydrophobicContact CD2-CD2 4.18Å; L104-L125 HydrophobicContact CD1-CD2 4.17Å; L104-L125 HydrophobicContact CD2-CB 4.01Å; L104-L125 HydrophobicContact CD2-CD1 4.32Å; L104-L125 HydrophobicContact CD2-CD2 4.06Å; L104-L125 HydrophobicContact CD2-CG 4.36Å; V106-L125 HydrophobicContact CG2-CD1 4.32Å; I121-L125 HydrophobicContact CG2-CD1 4Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.36Å; L122-L125 HydrophobicContact CD2-CD1 4.37Å; L122-L125 PolarHBondContact O-N 3.08Å; Q123-L125 PolarHBondContact O-N 2.87Å; L125-C129 WeakPolarHBondContact O-CB 3.26Å; L125-C129 PolarHBondContact O-N 2.95Å; L125-C129 PolarHBondContact O-SG 3.19Å
126F96.6Very high95.3Very high5 Ų525.2 Ų25.22%0.02213%0.13CC..Hα-helixtrans-74.6-30.3-175.8-62.6-6.9000113.4L122 Q123 L124 L135 L150 P152 V153 M156L122-F126 HydrophobicContact CB-CE2 4.42Å; L122-F126 HydrophobicContact CB-CZ 4.38Å; L122-F126 WeakPolarHBondContact O-CB 3.38Å; L122-F126 WeakPolarHBondContact O-CD1 3.32Å; L122-F126 WeakPolarHBondContact O-CG 3.37Å; L122-F126 PolarHBondContact O-N 2.87Å; Q123-F126 PolarHBondContact O-N 2.82Å; Q123-F126 VanDerWaalsContact O-N 3.11Å; L124-F126 VanDerWaalsContact C-N 3.28Å; L124-F126 PolarHBondContact O-N 3.35Å; F126-L135 HydrophobicContact CD1-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 3.88Å; F126-L135 HydrophobicContact CE1-CD2 3.65Å; F126-L135 HydrophobicContact CE1-CG 4.44Å; F126-L135 HydrophobicContact CZ-CD2 3.82Å; F126-L150 HydrophobicContact CE2-CB 4.47Å; F126-L150 HydrophobicContact CE2-CD2 3.8Å; F126-L150 HydrophobicContact CZ-CD2 4.4Å; F126-P152 HydrophobicContact CB-CB 3.83Å; F126-V153 HydrophobicContact CD2-CB 4.12Å; F126-V153 HydrophobicContact CE2-CB 4.35Å; F126-M156 VanDerWaalsContact CA-CE 3.43Å; F126-M156 HydrophobicContact CB-CE 3.72Å; F126-M156 HydrophobicContact CD1-CE 3.42Å; F126-M156 VanDerWaalsContact CD1-CE 3.42Å; F126-M156 HydrophobicContact CE1-CE 4.29Å; F126-M156 HydrophobicContact CG-CE 3.74Å
127E96.8Very high95.8Very high89 Ų8924.7 Ų24.742%0.41613%0.126SC..Hα-helixtrans-75-31.4176.8-72.7172.5173.700113Q123 L124 P152Q123-E127 HydrophobicContact CG-CG 4.35Å; Q123-E127 VanDerWaalsContact CG-OE1 3.28Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.49Å; Q123-E127 PolarHBondContact NE2-OE1 3.03Å; Q123-E127 WeakPolarHBondContact O-CB 3.49Å; Q123-E127 WeakPolarHBondContact O-CG 3.21Å; Q123-E127 PolarHBondContact O-N 3.25Å; L124-E127 PolarHBondContact O-N 2.83Å; E127-P152 HydrophobicContact CG-CB 3.88Å; E127-P152 HydrophobicContact CG-CG 4.12Å
128H96.9Very high95.9Very high47 Ų4727.9 Ų27.922%0.21814%0.138CC..Hα-helixtrans-99.3-27.8-174.5-67.380.4000114.2L94 G98 L124 C130L94-H128 HydrophobicContact CB-CB 3.76Å; L94-H128 HydrophobicContact CD1-CB 4.47Å; G98-H128 CarbonylContact C-O 3.21Å; L124-H128 PolarHBondContact O-N 2.83Å; L124-H128 VanDerWaalsContact O-N 3.14Å; L124-H128 PolarHBondContact O-ND1 2.99Å; H128-C130 VanDerWaalsContact C-N 3.25Å; H128-C130 PolarHBondContact O-N 2.79Å
129C96.3Very high96Very high1 Ų130 Ų301%0.00715%0.15CC..  trans-84.958-179-63.20000112.3G98 A101 L125 S131 L132G98-C129 WeakPolarHBondContact O-CA 3.49Å; A101-C129 HydrophobicContact CB-CB 4.24Å; L125-C129 WeakPolarHBondContact O-CB 3.26Å; L125-C129 PolarHBondContact O-N 2.95Å; L125-C129 PolarHBondContact O-SG 3.19Å; C129-S131 VanDerWaalsContact C-N 3.26Å; C129-S131 PolarHBondContact O-N 2.93Å; C129-L132 HydrophobicContact CB-CB 4.37Å; C129-L132 HydrophobicContact CB-CD1 4.37Å; C129-L132 VanDerWaalsContact O-CB 3.29Å; C129-L132 WeakPolarHBondContact O-CB 3.4Å; C129-L132 PolarHBondContact O-N 2.97Å
130C92.1Very high96Very high70 Ų7030 Ų3047%0.47315%0.15SC..THydrogen-bonded Turntrans-70.3-16.8-172.362.70000115H128H128-C130 VanDerWaalsContact C-N 3.25Å; H128-C130 PolarHBondContact O-N 2.79Å
131S95.8Very high95.9Very high21 Ų2126 Ų2615%0.14714%0.135CC..THydrogen-bonded Turntrans-93.84.4176.9-71.70000113.9Q99 A101 L102 C129 A133 K158Q99-S131 VanDerWaalsContact O-CB 3.3Å; Q99-S131 WeakPolarHBondContact O-CB 3.5Å; Q99-S131 PolarHBondContact O-OG 3.02Å; A101-S131 CarbonylContact O-C 3.51Å; L102-S131 WeakPolarHBondContact CD2-O 3.28Å; C129-S131 VanDerWaalsContact C-N 3.26Å; C129-S131 PolarHBondContact O-N 2.93Å; S131-A133 PolarHBondContact O-N 3.09Å; S131-K158 PolarHBondContact OG-NZ 3.03Å
132L97.6Very high95.9Very high0 Ų025.4 Ų25.40%013%0.132CC..  trans-60.6129.2-171.7-157.775.1000111.6A101 L104 C129 L135 M156 K158 L159A101-L132 HydrophobicContact CB-CD1 4.26Å; A101-L132 WeakPolarHBondContact O-CA 3.27Å; A101-L132 PolarHBondContact O-N 2.77Å; L104-L132 HydrophobicContact CB-CD1 3.58Å; L104-L132 HydrophobicContact CB-CD2 3.92Å; L104-L132 HydrophobicContact CB-CG 4.38Å; L104-L132 HydrophobicContact CD2-CD2 4.41Å; C129-L132 HydrophobicContact CB-CB 4.37Å; C129-L132 HydrophobicContact CB-CD1 4.37Å; C129-L132 VanDerWaalsContact O-CB 3.29Å; C129-L132 WeakPolarHBondContact O-CB 3.4Å; C129-L132 PolarHBondContact O-N 2.97Å; L132-L135 HydrophobicContact CD2-CB 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.13Å; L132-L135 HydrophobicContact CD2-CG 4.4Å; L132-M156 HydrophobicContact CB-SD 4.08Å; L132-M156 HydrophobicContact CD2-CE 3.92Å; L132-M156 HydrophobicContact CD2-SD 3.65Å; L132-M156 HydrophobicContact CG-SD 4.49Å; L132-K158 CarbonylContact O-C 3.24Å; L132-K158 VanDerWaalsContact O-C 3.24Å; L132-L159 HydrophobicContact CD2-CD1 4.23Å; L132-L159 HydrophobicContact CG-CD1 4.45Å; L132-L159 WeakPolarHBondContact O-CA 3.41Å; L132-L159 PolarHBondContact O-N 3.07Å; L132-L159 VanDerWaalsContact O-N 3.14Å
133A98.3Very high95.7Very high18 Ų1829.2 Ų29.215%0.14916%0.159CC..SBendtrans-97.9-3917300000110.9L102 S131 L159 N160 M161L102-A133 WeakPolarHBondContact O-CA 3.33Å; L102-A133 PolarHBondContact O-N 2.94Å; S131-A133 PolarHBondContact O-N 3.09Å; A133-L159 WeakPolarHBondContact O-CD1 3.49Å; A133-N160 PolarHBondContact O-N 2.87Å; A133-N160 PolarHBondContact O-OD1 2.88Å; A133-M161 PolarHBondContact O-N 3.45Å
134S98.5Very high95.5Very high5 Ų532 Ų324%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-125.4121.9-175.3157.70000110.9L102 H103 L104 Q136 M161L102-S134 PolarHBondContact O-N 2.9Å; H103-S134 WeakPolarHBondContact CA-O 3.45Å; H103-S134 VanDerWaalsContact ND1-CB 3.35Å; H103-S134 WeakPolarHBondContact ND1-CB 3.42Å; L104-S134 PolarHBondContact N-O 3.28Å; S134-Q136 PolarHBondContact OG-NE2 2.89Å; S134-M161 WeakPolarHBondContact CA-O 3.34Å; S134-M161 WeakPolarHBondContact OG-CE 3.42Å
135L98.5Very high95.5Very high1 Ų131.9 Ų31.91%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-117.5126.1172.217857000110.2L104 F126 L132 L137 V153 M156 L159 M161 L162 L163L104-L135 HydrophobicContact CB-CD1 4.28Å; L104-L135 HydrophobicContact CD2-CD1 3.94Å; L104-L135 HydrophobicContact CG-CD1 4.12Å; L104-L135 WeakPolarHBondContact O-CA 3.46Å; F126-L135 HydrophobicContact CD1-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 3.88Å; F126-L135 HydrophobicContact CE1-CD2 3.65Å; F126-L135 HydrophobicContact CE1-CG 4.44Å; F126-L135 HydrophobicContact CZ-CD2 3.82Å; L132-L135 HydrophobicContact CD2-CB 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.13Å; L132-L135 HydrophobicContact CD2-CG 4.4Å; L135-L137 HydrophobicContact CD1-CD2 4.25Å; L135-V153 HydrophobicContact CD2-CG2 3.86Å; L135-M156 HydrophobicContact CD2-SD 4.43Å; L135-L159 HydrophobicContact CB-CD1 3.82Å; L135-M161 PolarHBondContact N-O 3.33Å; L135-L162 HydrophobicContact CB-CD1 4.09Å; L135-L162 HydrophobicContact CD2-CD1 3.87Å; L135-L162 HydrophobicContact CG-CD1 3.97Å; L135-L162 WeakPolarHBondContact O-CA 3.35Å; L135-L163 PolarHBondContact O-N 2.59Å
136Q98.2Very high95.5Very high50 Ų5036.2 Ų36.223%0.23419%0.187CC..EExtended strand (participates in β ladder)trans-127.7128.6179.3-52.9176.415.400110L104 S105 V106 S134 Y138 M161 L163L104-Q136 PolarHBondContact O-N 2.92Å; S105-Q136 CarbonylContact C-O 3.57Å; S105-Q136 WeakPolarHBondContact CA-O 3.11Å; V106-Q136 PolarHBondContact N-O 3.07Å; S134-Q136 PolarHBondContact OG-NE2 2.89Å; Q136-Y138 HydrophobicContact CB-CD2 4.07Å; Q136-Y138 HydrophobicContact CB-CE2 3.5Å; Q136-Y138 HydrophobicContact CG-CE2 4.23Å; Q136-Y138 PolarHBondContact OE1-OH 3.18Å; Q136-M161 HydrophobicContact CG-CE 3.64Å; Q136-M161 HydrophobicContact CG-SD 4.28Å; Q136-L163 CarbonylContact C-O 3.4Å; Q136-L163 WeakPolarHBondContact CA-O 3.43Å; Q136-L163 HydrophobicContact CB-CB 4.41Å; Q136-L163 HydrophobicContact CG-CB 4.17Å
137L96.7Very high95.5Very high5 Ų538.1 Ų38.13%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-122.1112.8173.1-55.5179.9000108.1V106 L122 L135 V140 L163 V164 D165 C167V106-L137 HydrophobicContact CB-CD2 3.65Å; V106-L137 HydrophobicContact CG2-CD2 3.65Å; L122-L137 HydrophobicContact CD2-CD2 4.42Å; L135-L137 HydrophobicContact CD1-CD2 4.25Å; L137-V140 HydrophobicContact CB-CG2 4.18Å; L137-L163 PolarHBondContact N-O 3.01Å; L137-V164 HydrophobicContact CB-CG1 4.48Å; L137-V164 HydrophobicContact CB-CG2 4.45Å; L137-V164 HydrophobicContact CD1-CG2 4.26Å; L137-V164 WeakPolarHBondContact O-CA 3.1Å; L137-D165 PolarHBondContact O-N 2.98Å; L137-C167 PolarHBondContact O-SG 3.36Å
138Y92.9Very high95.6Very high69 Ų6940.3 Ų40.327%0.27120%0.202SC..EExtended strand (participates in β ladder)trans-117.6125.7-178.7-67.2-80.8000111.7V106 E107 D108 Q136 V140 L163 D165V106-Y138 PolarHBondContact O-N 2.67Å; E107-Y138 HydrophobicContact CG-CD2 4.16Å; D108-Y138 PolarHBondContact N-O 3.5Å; Q136-Y138 HydrophobicContact CB-CD2 4.07Å; Q136-Y138 HydrophobicContact CB-CE2 3.5Å; Q136-Y138 HydrophobicContact CG-CE2 4.23Å; Q136-Y138 PolarHBondContact OE1-OH 3.18Å; Y138-V140 WeakPolarHBondContact O-CG2 3.33Å; Y138-V140 PolarHBondContact O-N 2.95Å; Y138-L163 HydrophobicContact CD1-CD2 3.75Å; Y138-L163 HydrophobicContact CD2-CD2 4.46Å; Y138-L163 HydrophobicContact CE1-CD1 4.07Å; Y138-L163 HydrophobicContact CE1-CD2 3.15Å; Y138-L163 HydrophobicContact CE1-CG 4.24Å; Y138-L163 HydrophobicContact CE2-CD2 3.98Å; Y138-L163 HydrophobicContact CG-CD2 4.35Å; Y138-L163 WeakPolarHBondContact OH-CD1 3.12Å; Y138-L163 WeakPolarHBondContact OH-CD2 3.46Å; Y138-D165 WeakPolarHBondContact CA-O 3.38Å; Y138-D165 HydrophobicContact CD1-CB 3.85Å; Y138-D165 HydrophobicContact CE1-CB 4.15Å
139N92.1Very high95.6Very high70 Ų7038.7 Ų38.737%0.37419%0.194SC..SBendtrans57.119.7173.2-166.345.6000113.8D108 N141 D165 D166 Y168D108-N139 WeakPolarHBondContact CB-O 3.44Å; D108-N139 PolarHBondContact O-ND2 2.99Å; D108-N139 VanDerWaalsContact O-ND2 3.14Å; N139-N141 PolarHBondContact O-N 3.3Å; N139-D165 PolarHBondContact N-O 2.99Å; N139-D166 WeakPolarHBondContact CA-O 3.33Å; N139-Y168 WeakPolarHBondContact O-CE1 3.39Å
140V93Very high95.7Very high0 Ų038.8 Ų38.80%019%0.194CC..  trans-74.4125.6-170.1-175.90000110.5I51 V106 V117 L137 Y138 L142 C167 Y168I51-V140 HydrophobicContact CD1-CG1 3.94Å; V106-V140 HydrophobicContact CB-CG2 4.28Å; V106-V140 HydrophobicContact CG1-CG2 4.04Å; V106-V140 WeakPolarHBondContact O-CG2 3.48Å; V117-V140 HydrophobicContact CB-CG1 4.23Å; V117-V140 HydrophobicContact CG1-CG1 3.67Å; L137-V140 HydrophobicContact CB-CG2 4.18Å; Y138-V140 WeakPolarHBondContact O-CG2 3.33Å; Y138-V140 PolarHBondContact O-N 2.95Å; V140-L142 HydrophobicContact CB-CD2 4.34Å; V140-L142 HydrophobicContact CG1-CD2 3.76Å; V140-L142 HydrophobicContact CG1-CG 4.42Å; V140-L142 PolarHBondContact O-N 2.85Å; V140-C167 WeakPolarHBondContact O-CA 3.34Å; V140-Y168 PolarHBondContact O-N 2.81Å
141N92.7Very high96Very high12 Ų1238.4 Ų38.46%0.06419%0.187CC..BIsolated β-bridgetrans-78101.8169.5-172.6-13.1000111.9G113 S115 S116 V117 N139 S143 Y168G113-N141 PolarHBondContact O-ND2 3.16Å; S115-N141 WeakPolarHBondContact O-CB 3.46Å; S115-N141 PolarHBondContact O-ND2 3.08Å; S116-N141 WeakPolarHBondContact CA-O 3.39Å; S116-N141 PolarHBondContact OG-O 3.17Å; V117-N141 PolarHBondContact N-O 2.96Å; V117-N141 VanDerWaalsContact N-O 3.08Å; N139-N141 PolarHBondContact O-N 3.3Å; N141-S143 VanDerWaalsContact C-N 3.33Å; N141-S143 PolarHBondContact O-N 2.65Å; N141-S143 WeakPolarHBondContact OD1-CB 3.13Å; N141-S143 PolarHBondContact OD1-N 3.35Å; N141-S143 PolarHBondContact OD1-OG 3.28Å; N141-Y168 CarbonylContact C-O 3.49Å; N141-Y168 WeakPolarHBondContact CA-O 3.39Å; N141-Y168 HydrophobicContact CB-CD2 4.18Å; N141-Y168 HydrophobicContact CB-CE1 4.39Å; N141-Y168 HydrophobicContact CB-CE2 3.41Å; N141-Y168 VanDerWaalsContact CB-CE2 3.41Å; N141-Y168 WeakPolarHBondContact CB-OH 3.01Å; N141-Y168 WeakPolarHBondContact ND2-CE2 3.46Å; N141-Y168 PolarHBondContact OD1-O 3.21Å
142L94.2Very high96.1Very high0 Ų038.1 Ų38.10%019%0.185CC..  trans-85.613.8177.8-56.1176.9000114.2V117 L122 V140 R144 V145 C167 Y168 L172 I173V117-L142 HydrophobicContact CG1-CD2 4.19Å; L122-L142 HydrophobicContact CD1-CD2 3.73Å; V140-L142 HydrophobicContact CB-CD2 4.34Å; V140-L142 HydrophobicContact CG1-CD2 3.76Å; V140-L142 HydrophobicContact CG1-CG 4.42Å; V140-L142 PolarHBondContact O-N 2.85Å; L142-R144 PolarHBondContact O-N 3.13Å; L142-V145 HydrophobicContact CB-CB 4.06Å; L142-V145 HydrophobicContact CB-CG2 4.13Å; L142-V145 HydrophobicContact CD2-CB 4.26Å; L142-V145 HydrophobicContact CD2-CG1 4.49Å; L142-V145 HydrophobicContact CD2-CG2 3.84Å; L142-V145 WeakPolarHBondContact O-CA 3.42Å; L142-V145 WeakPolarHBondContact O-CB 3.32Å; L142-V145 PolarHBondContact O-N 2.86Å; L142-C167 HydrophobicContact CD1-CB 3.91Å; L142-C167 HydrophobicContact CG-CB 4.37Å; L142-Y168 WeakPolarHBondContact CA-O 3.49Å; L142-Y168 PolarHBondContact N-O 3.41Å; L142-L172 HydrophobicContact CB-CD1 3.54Å; L142-L172 HydrophobicContact CD1-CB 4.44Å; L142-L172 HydrophobicContact CD1-CD1 4.25Å; L142-L172 WeakPolarHBondContact O-CD1 3.5Å; L142-I173 HydrophobicContact CD1-CD1 4.2Å; L142-I173 HydrophobicContact CD1-CG1 4.48Å
143S93Very high96.1Very high80 Ų8038.3 Ų38.356%0.55919%0.186SC*.THydrogen-bonded Turntrans-60.8-26.7-176.9-62.80000114.4S116 N141S116-S143 PolarHBondContact OG-N 3.39Å; N141-S143 VanDerWaalsContact C-N 3.33Å; N141-S143 PolarHBondContact O-N 2.65Å; N141-S143 WeakPolarHBondContact OD1-CB 3.13Å; N141-S143 PolarHBondContact OD1-N 3.35Å; N141-S143 PolarHBondContact OD1-OG 3.28Å
144R92.6Very high96Very high114 Ų11438 Ų3843%0.4318%0.184SC..THydrogen-bonded Turntrans-97.613.5172.8-65.5177.170.51616.8113.2D80 S116 G119 L142D80-R144 IonicContact OD1-CZ 3.29Å; D80-R144 VanDerWaalsContact OD1-CZ 3.29Å; D80-R144 IonicContact OD1-NH1 2.74Å; D80-R144 PolarHBondContact OD1-NH1 3.22Å; D80-R144 IonicContact OD1-NH2 2.9Å; D80-R144 PolarHBondContact OD1-NH2 2.86Å; S116-R144 PolarHBondContact OG-N 3.43Å; G119-R144 PolarHBondContact N-O 3.12Å; L142-R144 PolarHBondContact O-N 3.13Å
145V95.5Very high95.8Very high8 Ų842.7 Ų42.75%0.04821%0.209CC..  trans-110.4123.3-178.5-173.30000109.3V117 L122 L142 H149 L150 L172V117-V145 HydrophobicContact CG1-CG2 3.56Å; L122-V145 HydrophobicContact CD1-CG1 4.23Å; L122-V145 HydrophobicContact CD1-CG2 4.08Å; L142-V145 HydrophobicContact CB-CB 4.06Å; L142-V145 HydrophobicContact CB-CG2 4.13Å; L142-V145 HydrophobicContact CD2-CB 4.26Å; L142-V145 HydrophobicContact CD2-CG1 4.49Å; L142-V145 HydrophobicContact CD2-CG2 3.84Å; L142-V145 WeakPolarHBondContact O-CA 3.42Å; L142-V145 WeakPolarHBondContact O-CB 3.32Å; L142-V145 PolarHBondContact O-N 2.86Å; V145-H149 HydrophobicContact CG1-CB 4.06Å; V145-L150 HydrophobicContact CG1-CD1 4.4Å; V145-L150 HydrophobicContact CG1-CD2 3.99Å; V145-L150 HydrophobicContact CG1-CG 3.98Å; V145-L172 HydrophobicContact CB-CD1 4.23Å; V145-L172 WeakPolarHBondContact O-CD1 3.32Å
146E97.4Very high95.6Very high96 Ų9642.7 Ų42.745%0.44921%0.208SC..  trans-92.2155.7165-56.3177.7-143.800111.8R148 H149E146-R148 HydrophobicContact CB-CG 4.17Å; E146-R148 PolarHBondContact O-N 2.93Å; E146-R148 VanDerWaalsContact O-N 3.07Å; E146-R148 IonicContact OE1-CZ 3.38Å; E146-R148 IonicContact OE1-NH1 3.45Å; E146-R148 PolarHBondContact OE1-NH1 3.16Å; E146-R148 IonicContact OE1-NH2 2.72Å; E146-R148 PolarHBondContact OE1-NH2 3.33Å; E146-R148 IonicContact OE2-CZ 3Å; E146-R148 IonicContact OE2-NE 3.79Å; E146-R148 IonicContact OE2-NH1 2.62Å; E146-R148 PolarHBondContact OE2-NH1 3.14Å; E146-R148 IonicContact OE2-NH2 3.25Å; E146-R148 PolarHBondContact OE2-NH2 3.36Å; E146-H149 WeakPolarHBondContact CA-ND1 3.16Å; E146-H149 PolarHBondContact N-CE1 3.03Å; E146-H149 PolarHBondContact N-ND1 3.15Å; E146-H149 WeakPolarHBondContact O-CB 3.27Å; E146-H149 PolarHBondContact O-N 3.39Å; E146-H149 PolarHBondContact O-ND1 2.84Å
147L97.5Very high95.5Very high44 Ų4447.5 Ų47.523%0.2322%0.224CC..Hα-helixtrans-51.1-37.2179.5178.262.1000113.1H149 L150 L151 L172 K176 L177L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.13Å; L147-L150 PolarHBondContact O-N 2.7Å; L147-L151 HydrophobicContact CD1-CD2 4.3Å; L147-L151 HydrophobicContact CG-CD2 4.31Å; L147-L151 HydrophobicContact CG-CG 4.39Å; L147-L151 WeakPolarHBondContact O-CG 3.08Å; L147-L151 PolarHBondContact O-N 2.88Å; L147-L172 HydrophobicContact CB-CD2 4.47Å; L147-K176 HydrophobicContact CD2-CB 4.07Å; L147-K176 HydrophobicContact CD2-CG 3.83Å; L147-L177 HydrophobicContact CD1-CB 3.84Å; L147-L177 HydrophobicContact CD1-CD1 4.43Å
148R98Very high95.5Very high136 Ų13653 Ų5351%0.51325%0.248SC..Hα-helixtrans-56.2-30.1179.366.2168.5-179.8-104.4-12.9113.5E146 L150 P152E146-R148 HydrophobicContact CB-CG 4.17Å; E146-R148 PolarHBondContact O-N 2.93Å; E146-R148 VanDerWaalsContact O-N 3.07Å; E146-R148 IonicContact OE1-CZ 3.38Å; E146-R148 IonicContact OE1-NH1 3.45Å; E146-R148 PolarHBondContact OE1-NH1 3.16Å; E146-R148 IonicContact OE1-NH2 2.72Å; E146-R148 PolarHBondContact OE1-NH2 3.33Å; E146-R148 IonicContact OE2-CZ 3Å; E146-R148 IonicContact OE2-NE 3.79Å; E146-R148 IonicContact OE2-NH1 2.62Å; E146-R148 PolarHBondContact OE2-NH1 3.14Å; E146-R148 IonicContact OE2-NH2 3.25Å; E146-R148 PolarHBondContact OE2-NH2 3.36Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-P152 WeakPolarHBondContact O-CD 3.35Å
149H98.1Very high95.8Very high13 Ų1349.7 Ų49.76%0.0624%0.235CC..Hα-helixtrans-75-23.4179.6-51.2108.4000112.2G119 Q123 V145 E146 L147G119-H149 WeakPolarHBondContact O-CB 3.5Å; Q123-H149 WeakPolarHBondContact CA-O 3.33Å; Q123-H149 HydrophobicContact CB-CB 4.1Å; Q123-H149 PolarHBondContact OE1-CD2 3.14Å; V145-H149 HydrophobicContact CG1-CB 4.06Å; E146-H149 WeakPolarHBondContact CA-ND1 3.16Å; E146-H149 PolarHBondContact N-CE1 3.03Å; E146-H149 PolarHBondContact N-ND1 3.15Å; E146-H149 WeakPolarHBondContact O-CB 3.27Å; E146-H149 PolarHBondContact O-N 3.39Å; E146-H149 PolarHBondContact O-ND1 2.84Å; L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.13Å
150L97.8Very high96.1Very high3 Ų349.2 Ų49.22%0.01623%0.233CC..Hα-helixtrans-91.5-24.9-179.5-58178.9000112.7L122 F126 V145 L147 R148 P152 V153 L172 I173 L177L122-L150 HydrophobicContact CB-CD2 4.36Å; L122-L150 HydrophobicContact CD1-CD2 3.71Å; F126-L150 HydrophobicContact CE2-CB 4.47Å; F126-L150 HydrophobicContact CE2-CD2 3.8Å; F126-L150 HydrophobicContact CZ-CD2 4.4Å; V145-L150 HydrophobicContact CG1-CD1 4.4Å; V145-L150 HydrophobicContact CG1-CD2 3.99Å; V145-L150 HydrophobicContact CG1-CG 3.98Å; L147-L150 PolarHBondContact O-N 2.7Å; R148-L150 VanDerWaalsContact C-N 3.3Å; L150-P152 VanDerWaalsContact C-N 3.3Å; L150-V153 WeakPolarHBondContact O-CB 3.44Å; L150-V153 WeakPolarHBondContact O-CG1 3.43Å; L150-V153 PolarHBondContact O-N 2.78Å; L150-L172 HydrophobicContact CD1-CB 4.14Å; L150-I173 HydrophobicContact CD1-CD1 4.22Å; L150-L177 HydrophobicContact CB-CD1 3.71Å; L150-L177 HydrophobicContact CB-CD2 4.27Å; L150-L177 HydrophobicContact CD1-CD2 4.05Å
151L98Very high96.4Very high61 Ų6150.2 Ų50.232%0.31924%0.238SC..G310 helixtrans-54.1-33.5-178.4-68.8178.7000115.4L147 V153 G154 V180L147-L151 HydrophobicContact CD1-CD2 4.3Å; L147-L151 HydrophobicContact CG-CD2 4.31Å; L147-L151 HydrophobicContact CG-CG 4.39Å; L147-L151 WeakPolarHBondContact O-CG 3.08Å; L147-L151 PolarHBondContact O-N 2.88Å; L151-V153 PolarHBondContact O-N 2.95Å; L151-G154 PolarHBondContact O-N 2.87Å; L151-G154 VanDerWaalsContact O-N 3.09Å; L151-V180 HydrophobicContact CD2-CG1 4.39Å; L151-V180 HydrophobicContact CD2-CG2 4.19Å
152P97.4Very high96.7Very high15 Ų1550 Ų5010%0.09724%0.236CC..G310 helixtrans-61.3-11.3176.5-25.336000114.7Q123 F126 E127 R148 L150 G154 L155Q123-P152 HydrophobicContact CG-CG 4.28Å; F126-P152 HydrophobicContact CB-CB 3.83Å; E127-P152 HydrophobicContact CG-CB 3.88Å; E127-P152 HydrophobicContact CG-CG 4.12Å; R148-P152 WeakPolarHBondContact O-CD 3.35Å; L150-P152 VanDerWaalsContact C-N 3.3Å; P152-G154 PolarHBondContact O-N 2.92Å; P152-G154 VanDerWaalsContact O-N 3.1Å; P152-L155 HydrophobicContact CB-CD1 4.06Å; P152-L155 WeakPolarHBondContact O-CB 3.44Å; P152-L155 WeakPolarHBondContact O-CG 3.44Å; P152-L155 PolarHBondContact O-N 2.85Å
153V97.3Very high96.9Very high5 Ų550.5 Ų50.53%0.0324%0.239CC..G310 helixtrans-52.7-31.5168.974.10000112F126 L135 L150 L151 L155 M156 L159 L177 V180 V181 I184F126-V153 HydrophobicContact CD2-CB 4.12Å; F126-V153 HydrophobicContact CE2-CB 4.35Å; L135-V153 HydrophobicContact CD2-CG2 3.86Å; L150-V153 WeakPolarHBondContact O-CB 3.44Å; L150-V153 WeakPolarHBondContact O-CG1 3.43Å; L150-V153 PolarHBondContact O-N 2.78Å; L151-V153 PolarHBondContact O-N 2.95Å; V153-L155 PolarHBondContact O-N 2.9Å; V153-L155 VanDerWaalsContact O-N 3.12Å; V153-M156 HydrophobicContact CG2-SD 4.07Å; V153-M156 WeakPolarHBondContact O-CB 3.36Å; V153-M156 PolarHBondContact O-N 3.01Å; V153-M156 VanDerWaalsContact O-N 3.08Å; V153-L159 HydrophobicContact CG2-CD2 4.27Å; V153-L177 HydrophobicContact CG1-CD1 3.83Å; V153-V180 HydrophobicContact CG1-CG2 4.22Å; V153-V181 HydrophobicContact CG1-CG2 3.66Å; V153-I184 WeakPolarHBondContact O-CD1 3.45Å
154G96.1Very high97.1Very high10 Ų1046.9 Ų46.910%0.10321%0.213CC..G310 helixtrans-65.1-10.7175.800000114.8L151 P152L151-G154 PolarHBondContact O-N 2.87Å; L151-G154 VanDerWaalsContact O-N 3.09Å; P152-G154 PolarHBondContact O-N 2.92Å; P152-G154 VanDerWaalsContact O-N 3.1Å
155L94.5Very high97.2Very high105 Ų10542.4 Ų42.455%0.5520%0.198SC..G310 helixtrans-80.4-18.1174.1-56.4177.9000112.4P152 V153 R157P152-L155 HydrophobicContact CB-CD1 4.06Å; P152-L155 WeakPolarHBondContact O-CB 3.44Å; P152-L155 WeakPolarHBondContact O-CG 3.44Å; P152-L155 PolarHBondContact O-N 2.85Å; V153-L155 PolarHBondContact O-N 2.9Å; V153-L155 VanDerWaalsContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.22Å
156M95.6Very high97.1Very high0 Ų045.8 Ų45.80%022%0.216CC..  trans-78.574.5-175.6-59.1177.8-179.400111.8F126 L132 L135 V153 K158 L159 I184F126-M156 VanDerWaalsContact CA-CE 3.43Å; F126-M156 HydrophobicContact CB-CE 3.72Å; F126-M156 HydrophobicContact CD1-CE 3.42Å; F126-M156 VanDerWaalsContact CD1-CE 3.42Å; F126-M156 HydrophobicContact CE1-CE 4.29Å; F126-M156 HydrophobicContact CG-CE 3.74Å; L132-M156 HydrophobicContact CB-SD 4.08Å; L132-M156 HydrophobicContact CD2-CE 3.92Å; L132-M156 HydrophobicContact CD2-SD 3.65Å; L132-M156 HydrophobicContact CG-SD 4.49Å; L135-M156 HydrophobicContact CD2-SD 4.43Å; V153-M156 HydrophobicContact CG2-SD 4.07Å; V153-M156 WeakPolarHBondContact O-CB 3.36Å; V153-M156 PolarHBondContact O-N 3.01Å; V153-M156 VanDerWaalsContact O-N 3.08Å; M156-K158 PolarHBondContact O-N 2.77Å; M156-L159 HydrophobicContact CB-CB 4.02Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 2.86Å; M156-L159 HydrophobicContact SD-CD1 4.21Å; M156-I184 WeakPolarHBondContact O-CG2 3.32Å
157R95.5Very high97Very high151 Ų15141.6 Ų41.657%0.5720%0.197SC*.THydrogen-bonded Turntrans-66.3-4.9-175.7-59.8-58.3-176.4169.5-2.8115.6L155 D183 T186L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.22Å; R157-D183 PolarHBondContact NH1-O 3.34Å; R157-T186 PolarHBondContact O-OG1 3.25Å
158K97.3Very high96.7Very high120 Ų12042.8 Ų42.852%0.52220%0.199SC..THydrogen-bonded Turntrans-106.3-0.4175.5-62-171.9-171.8165.20113.2S131 L132 M156 N160S131-K158 PolarHBondContact OG-NZ 3.03Å; L132-K158 CarbonylContact O-C 3.24Å; L132-K158 VanDerWaalsContact O-C 3.24Å; M156-K158 PolarHBondContact O-N 2.77Å; K158-N160 PolarHBondContact O-N 2.74Å
159L98.4Very high96.5Very high0 Ų037.9 Ų37.90%019%0.185CC..  trans-62.3122.3-177.1-16574.1000109.1L132 A133 L135 V153 M156 L162 I184 T186 I187L132-L159 HydrophobicContact CD2-CD1 4.23Å; L132-L159 HydrophobicContact CG-CD1 4.45Å; L132-L159 WeakPolarHBondContact O-CA 3.41Å; L132-L159 PolarHBondContact O-N 3.07Å; L132-L159 VanDerWaalsContact O-N 3.14Å; A133-L159 WeakPolarHBondContact O-CD1 3.49Å; L135-L159 HydrophobicContact CB-CD1 3.82Å; V153-L159 HydrophobicContact CG2-CD2 4.27Å; M156-L159 HydrophobicContact CB-CB 4.02Å; M156-L159 WeakPolarHBondContact O-CB 3.47Å; M156-L159 PolarHBondContact O-N 2.86Å; M156-L159 HydrophobicContact SD-CD1 4.21Å; L159-L162 HydrophobicContact CD2-CB 4.26Å; L159-I184 HydrophobicContact CB-CD1 4.24Å; L159-I184 HydrophobicContact CB-CG2 4.16Å; L159-I184 HydrophobicContact CD2-CD1 4.1Å; L159-T186 CarbonylContact O-C 3.57Å; L159-T186 PolarHBondContact O-OG1 3.3Å; L159-I187 PolarHBondContact O-N 2.94Å
160N98.3Very high96.3Very high61 Ų6139.3 Ų39.333%0.32619%0.193SC..  trans-107.4-30.7176.368.714.6000111.4A133 K158 T188 E189A133-N160 PolarHBondContact O-N 2.87Å; A133-N160 PolarHBondContact O-OD1 2.88Å; K158-N160 PolarHBondContact O-N 2.74Å; N160-T188 PolarHBondContact O-N 3.22Å; N160-T188 PolarHBondContact O-OG1 2.64Å; N160-E189 PolarHBondContact O-N 3.35Å
161M98.7Very high96.1Very high21 Ų2144.9 Ų44.910%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-132.6125.2-177.8-173.8-81.9-75.700110.7A133 S134 L135 Q136 L163 E189A133-M161 PolarHBondContact O-N 3.45Å; S134-M161 WeakPolarHBondContact CA-O 3.34Å; S134-M161 WeakPolarHBondContact OG-CE 3.42Å; L135-M161 PolarHBondContact N-O 3.33Å; Q136-M161 HydrophobicContact CG-CE 3.64Å; Q136-M161 HydrophobicContact CG-SD 4.28Å; M161-L163 HydrophobicContact SD-CB 3.71Å; M161-E189 WeakPolarHBondContact CA-O 3.45Å; M161-E189 HydrophobicContact CB-CB 4Å; M161-E189 HydrophobicContact CG-CB 3.66Å; M161-E189 HydrophobicContact CG-CG 4.42Å
162L98.6Very high96Very high7 Ų742.4 Ų42.44%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-116.5124.7167.3175.263.1000108.8L135 L159 V164 L178 V181 E189 I190 H191 L192L135-L162 HydrophobicContact CB-CD1 4.09Å; L135-L162 HydrophobicContact CD2-CD1 3.87Å; L135-L162 HydrophobicContact CG-CD1 3.97Å; L135-L162 WeakPolarHBondContact O-CA 3.35Å; L159-L162 HydrophobicContact CD2-CB 4.26Å; L162-V164 HydrophobicContact CD1-CG2 4.06Å; L162-V164 HydrophobicContact CG-CG2 4.29Å; L162-L178 HydrophobicContact CD2-CD1 4.37Å; L162-V181 HydrophobicContact CD2-CG1 3.87Å; L162-V181 HydrophobicContact CD2-CG2 4.12Å; L162-E189 PolarHBondContact N-O 3.17Å; L162-E189 VanDerWaalsContact N-O 3.07Å; L162-I190 HydrophobicContact CB-CD1 3.87Å; L162-I190 HydrophobicContact CD2-CD1 4.39Å; L162-H191 PolarHBondContact O-N 3.07Å; L162-L192 HydrophobicContact CD2-CD2 4.16Å; L162-L192 HydrophobicContact CG-CD2 4.46Å
163L98.4Very high96Very high11 Ų1141.8 Ų41.86%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-121.6128.6170.1-174.4154.2000110.3L135 Q136 L137 Y138 M161 D165 H191L135-L163 PolarHBondContact O-N 2.59Å; Q136-L163 CarbonylContact C-O 3.4Å; Q136-L163 WeakPolarHBondContact CA-O 3.43Å; Q136-L163 HydrophobicContact CB-CB 4.41Å; Q136-L163 HydrophobicContact CG-CB 4.17Å; L137-L163 PolarHBondContact N-O 3.01Å; Y138-L163 HydrophobicContact CD1-CD2 3.75Å; Y138-L163 HydrophobicContact CD2-CD2 4.46Å; Y138-L163 HydrophobicContact CE1-CD1 4.07Å; Y138-L163 HydrophobicContact CE1-CD2 3.15Å; Y138-L163 HydrophobicContact CE1-CG 4.24Å; Y138-L163 HydrophobicContact CE2-CD2 3.98Å; Y138-L163 HydrophobicContact CG-CD2 4.35Å; Y138-L163 WeakPolarHBondContact OH-CD1 3.12Å; Y138-L163 WeakPolarHBondContact OH-CD2 3.46Å; M161-L163 HydrophobicContact SD-CB 3.71Å; L163-D165 HydrophobicContact CD2-CB 3.84Å; L163-H191 CarbonylContact C-O 3.44Å; L163-H191 VanDerWaalsContact CA-O 3.29Å; L163-H191 WeakPolarHBondContact CA-O 3.28Å; L163-H191 HydrophobicContact CB-CB 3.98Å; L163-H191 HydrophobicContact CD1-CB 3.92Å; L163-H191 HydrophobicContact CG-CB 3.71Å
164V97.8Very high96Very high3 Ų343.2 Ų43.22%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-132117170-175.20000107.4L137 L162 C167 I173 H191 L192 R193L137-V164 HydrophobicContact CB-CG1 4.48Å; L137-V164 HydrophobicContact CB-CG2 4.45Å; L137-V164 HydrophobicContact CD1-CG2 4.26Å; L137-V164 WeakPolarHBondContact O-CA 3.1Å; L162-V164 HydrophobicContact CD1-CG2 4.06Å; L162-V164 HydrophobicContact CG-CG2 4.29Å; V164-C167 HydrophobicContact CG1-CB 3.93Å; V164-I173 HydrophobicContact CG1-CD1 4.05Å; V164-I173 HydrophobicContact CG1-CG1 3.93Å; V164-I173 HydrophobicContact CG1-CG2 4.48Å; V164-H191 PolarHBondContact N-O 3Å; V164-L192 HydrophobicContact CB-CD2 4.11Å; V164-L192 HydrophobicContact CG2-CD2 4.02Å; V164-R193 PolarHBondContact O-N 2.81Å
165D95.8Very high96.1Very high20 Ų2043.5 Ų43.511%0.10721%0.207CC..EExtended strand (participates in β ladder)trans-134.2130.1-177.2-160.20.2000109.8L137 Y138 N139 L163 C167 R193 H194L137-D165 PolarHBondContact O-N 2.98Å; Y138-D165 WeakPolarHBondContact CA-O 3.38Å; Y138-D165 HydrophobicContact CD1-CB 3.85Å; Y138-D165 HydrophobicContact CE1-CB 4.15Å; N139-D165 PolarHBondContact N-O 2.99Å; L163-D165 HydrophobicContact CD2-CB 3.84Å; D165-C167 PolarHBondContact O-N 2.67Å; D165-R193 HydrophobicContact CB-CB 4.42Å; D165-R193 VanDerWaalsContact OD1-CB 3.27Å; D165-R193 WeakPolarHBondContact OD1-CB 3.47Å; D165-R193 WeakPolarHBondContact OD2-CD 3.02Å; D165-R193 IonicContact OD2-CZ 3.24Å; D165-R193 IonicContact OD2-NE 3.62Å; D165-R193 IonicContact OD2-NH1 2.76Å; D165-R193 PolarHBondContact OD2-NH1 3.1Å; D165-H194 IonicContact OD1-ND1 2.73Å
166D92.8Very high96.2Very high80 Ų8044.4 Ų44.443%0.42821%0.206SC..SBendtrans50.129.9178.2-69.9-33.1000115.8N139 Y168 H194N139-D166 WeakPolarHBondContact CA-O 3.33Å; D166-Y168 WeakPolarHBondContact O-CD1 2.96Å; D166-H194 IonicContact OD1-CE1 3.75Å; D166-H194 IonicContact OD1-CG 3.6Å; D166-H194 IonicContact OD1-ND1 3.97Å; D166-H194 PolarHBondContact OD1-ND1 2.73Å
167C94.3Very high96.4Very high8 Ų844.9 Ų44.95%0.05421%0.209CC..  trans-77.4139.1172.9-67.10000111.3L137 V140 L142 V164 D165L137-C167 PolarHBondContact O-SG 3.36Å; V140-C167 WeakPolarHBondContact O-CA 3.34Å; L142-C167 HydrophobicContact CD1-CB 3.91Å; L142-C167 HydrophobicContact CG-CB 4.37Å; V164-C167 HydrophobicContact CG1-CB 3.93Å; D165-C167 PolarHBondContact O-N 2.67Å
168Y92.7Very high96.5Very high69 Ų6937.7 Ų37.727%0.27118%0.182SC..BIsolated β-bridgetrans-137.1140.3-177.354.2-80.3000112.4G113 N139 V140 N141 L142 D166G113-Y168 WeakPolarHBondContact CA-OH 3.45Å; N139-Y168 WeakPolarHBondContact O-CE1 3.39Å; V140-Y168 PolarHBondContact O-N 2.81Å; N141-Y168 CarbonylContact C-O 3.49Å; N141-Y168 WeakPolarHBondContact CA-O 3.39Å; N141-Y168 HydrophobicContact CB-CD2 4.18Å; N141-Y168 HydrophobicContact CB-CE1 4.39Å; N141-Y168 HydrophobicContact CB-CE2 3.41Å; N141-Y168 VanDerWaalsContact CB-CE2 3.41Å; N141-Y168 WeakPolarHBondContact CB-OH 3.01Å; N141-Y168 WeakPolarHBondContact ND2-CE2 3.46Å; N141-Y168 PolarHBondContact OD1-O 3.21Å; L142-Y168 WeakPolarHBondContact CA-O 3.49Å; L142-Y168 PolarHBondContact N-O 3.41Å; D166-Y168 WeakPolarHBondContact O-CD1 2.96Å
169P93.8Very high96.5Very high32 Ų3232.9 Ų32.921%0.20816%0.163CC..SBendcis-73.2136.3-2.333-36.4000111.4F171 L172P169-F171 HydrophobicContact CB-CD1 3.49Å; P169-F171 VanDerWaalsContact CB-CD1 3.49Å; P169-F171 HydrophobicContact CB-CE1 3.28Å; P169-F171 HydrophobicContact CB-CG 4.46Å; P169-F171 HydrophobicContact CB-CZ 4.13Å; P169-F171 HydrophobicContact CG-CD1 3.92Å; P169-F171 HydrophobicContact CG-CE1 3.28Å; P169-F171 HydrophobicContact CG-CZ 3.61Å; P169-F171 PolarHBondContact O-N 2.76Å; P169-L172 HydrophobicContact CG-CD1 4.36Å
170N93Very high96.5Very high43 Ų4334.4 Ų34.423%0.2317%0.172CC..G310 helixtrans-71.9-12.1-173.564.89000113.6L172 I173 H194 D196N170-L172 PolarHBondContact O-N 2.82Å; N170-L172 VanDerWaalsContact O-N 3.1Å; N170-I173 PolarHBondContact O-N 3.04Å; N170-H194 WeakPolarHBondContact CB-O 3.38Å; N170-H194 PolarHBondContact ND2-O 3.34Å; N170-D196 PolarHBondContact ND2-N 3Å; N170-D196 PolarHBondContact ND2-OD2 3.06Å
171F94.5Very high96.5Very high120 Ų12031.5 Ų31.553%0.52616%0.157SC..G310 helixtrans-63.8-17.2-179.970.6-109.4000114.2P169 I173 N174 A197P169-F171 HydrophobicContact CB-CD1 3.49Å; P169-F171 VanDerWaalsContact CB-CD1 3.49Å; P169-F171 HydrophobicContact CB-CE1 3.28Å; P169-F171 HydrophobicContact CB-CG 4.46Å; P169-F171 HydrophobicContact CB-CZ 4.13Å; P169-F171 HydrophobicContact CG-CD1 3.92Å; P169-F171 HydrophobicContact CG-CE1 3.28Å; P169-F171 HydrophobicContact CG-CZ 3.61Å; P169-F171 PolarHBondContact O-N 2.76Å; F171-I173 VanDerWaalsContact C-N 3.3Å; F171-N174 WeakPolarHBondContact O-CB 3.16Å; F171-N174 PolarHBondContact O-ND2 3.26Å; F171-A197 HydrophobicContact CB-CB 4.4Å
172L96.1Very high96.4Very high9 Ų930.5 Ų30.55%0.04715%0.152CC..G310 helixtrans-73.1-26.8175-68.5167000111.9L142 V145 L147 L150 P169 N170 N174L142-L172 HydrophobicContact CB-CD1 3.54Å; L142-L172 HydrophobicContact CD1-CB 4.44Å; L142-L172 HydrophobicContact CD1-CD1 4.25Å; L142-L172 WeakPolarHBondContact O-CD1 3.5Å; V145-L172 HydrophobicContact CB-CD1 4.23Å; V145-L172 WeakPolarHBondContact O-CD1 3.32Å; L147-L172 HydrophobicContact CB-CD2 4.47Å; L150-L172 HydrophobicContact CD1-CB 4.14Å; P169-L172 HydrophobicContact CG-CD1 4.36Å; N170-L172 PolarHBondContact O-N 2.82Å; N170-L172 VanDerWaalsContact O-N 3.1Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 3.14Å; L172-N174 VanDerWaalsContact O-N 3.16Å
173I96.9Very high96.3Very high3 Ų333.6 Ų33.62%0.01517%0.168CC..SBendtrans-88.878.4174.9-44.6-62000107.5L142 L150 V164 N170 F171 L177 L178 L192 C195 L198L142-I173 HydrophobicContact CD1-CD1 4.2Å; L142-I173 HydrophobicContact CD1-CG1 4.48Å; L150-I173 HydrophobicContact CD1-CD1 4.22Å; V164-I173 HydrophobicContact CG1-CD1 4.05Å; V164-I173 HydrophobicContact CG1-CG1 3.93Å; V164-I173 HydrophobicContact CG1-CG2 4.48Å; N170-I173 PolarHBondContact O-N 3.04Å; F171-I173 VanDerWaalsContact C-N 3.3Å; I173-L177 HydrophobicContact CD1-CD2 3.82Å; I173-L178 HydrophobicContact CG2-CD2 3.96Å; I173-L192 HydrophobicContact CG2-CD2 4.18Å; I173-C195 HydrophobicContact CB-CB 4.31Å; I173-C195 HydrophobicContact CG2-CB 4.1Å; I173-C195 VanDerWaalsContact CG2-SG 3.53Å; I173-L198 WeakPolarHBondContact O-CD2 3.37Å
174N96.9Very high96.3Very high34 Ų3433 Ų3318%0.18217%0.165CC..SBendtrans-126.8171.1-171.862.244.4000112F171 L172 K176 L177 L178 A197F171-N174 WeakPolarHBondContact O-CB 3.16Å; F171-N174 PolarHBondContact O-ND2 3.26Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-N174 PolarHBondContact O-N 3.14Å; L172-N174 VanDerWaalsContact O-N 3.16Å; N174-K176 PolarHBondContact O-N 3.32Å; N174-K176 WeakPolarHBondContact OD1-CA 3.39Å; N174-K176 WeakPolarHBondContact OD1-CB 3.32Å; N174-K176 PolarHBondContact OD1-N 3.44Å; N174-L177 WeakPolarHBondContact O-CB 3.3Å; N174-L177 PolarHBondContact O-N 3.48Å; N174-L177 PolarHBondContact OD1-N 2.99Å; N174-L178 WeakPolarHBondContact O-CD2 3.22Å; N174-L178 PolarHBondContact O-N 3.23Å; N174-A197 HydrophobicContact CB-CB 3.95Å
175D97.7Very high96.2Very high16 Ų1639.4 Ų39.49%0.08620%0.195CC..Hα-helixtrans-47.7-36.3178.2-68.9-13.9000113.7L178 S179 T199 S202 W205D175-L178 PolarHBondContact O-N 2.59Å; D175-S179 WeakPolarHBondContact O-CB 2.85Å; D175-S179 PolarHBondContact O-N 3.09Å; D175-T199 PolarHBondContact OD1-N 3.35Å; D175-T199 PolarHBondContact OD2-OG1 3.22Å; D175-S202 WeakPolarHBondContact OD1-CB 3.41Å; D175-W205 HydrophobicContact CB-CH2 3.98Å; D175-W205 HydrophobicContact CB-CZ3 3.76Å; D175-W205 WeakPolarHBondContact O-CZ3 3.17Å
176K97.8Very high96.3Very high125 Ų12541.1 Ų41.154%0.54321%0.206SC..Hα-helixtrans-66.2-43.1179.9-176.958.3179.7171.20111.7L147 N174 S179L147-K176 HydrophobicContact CD2-CB 4.07Å; L147-K176 HydrophobicContact CD2-CG 3.83Å; N174-K176 PolarHBondContact O-N 3.32Å; N174-K176 WeakPolarHBondContact OD1-CA 3.39Å; N174-K176 WeakPolarHBondContact OD1-CB 3.32Å; N174-K176 PolarHBondContact OD1-N 3.44Å; K176-S179 PolarHBondContact O-N 3.1Å; K176-S179 PolarHBondContact O-OG 3.23Å
177L98.2Very high96.5Very high10 Ų1037.3 Ų37.35%0.05219%0.186CC..Hα-helixtrans-62.2-47.9172.2179.662.3000110.5L147 L150 V153 I173 N174 S179 V180 V181L147-L177 HydrophobicContact CD1-CB 3.84Å; L147-L177 HydrophobicContact CD1-CD1 4.43Å; L150-L177 HydrophobicContact CB-CD1 3.71Å; L150-L177 HydrophobicContact CB-CD2 4.27Å; L150-L177 HydrophobicContact CD1-CD2 4.05Å; V153-L177 HydrophobicContact CG1-CD1 3.83Å; I173-L177 HydrophobicContact CD1-CD2 3.82Å; N174-L177 WeakPolarHBondContact O-CB 3.3Å; N174-L177 PolarHBondContact O-N 3.48Å; N174-L177 PolarHBondContact OD1-N 2.99Å; L177-S179 PolarHBondContact O-N 2.93Å; L177-V180 HydrophobicContact CD1-CG2 4.42Å; L177-V180 WeakPolarHBondContact O-CG2 3.39Å; L177-V180 PolarHBondContact O-N 3.03Å; L177-V180 VanDerWaalsContact O-N 3.12Å; L177-V181 PolarHBondContact O-N 3.32Å
178L98Very high96.7Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-70.2-20.3-175.2-74.3-53.8000112.5L162 I173 N174 D175 V180 V181 A182 L192 L198 F206L162-L178 HydrophobicContact CD2-CD1 4.37Å; I173-L178 HydrophobicContact CG2-CD2 3.96Å; N174-L178 WeakPolarHBondContact O-CD2 3.22Å; N174-L178 PolarHBondContact O-N 3.23Å; D175-L178 PolarHBondContact O-N 2.59Å; L178-V180 VanDerWaalsContact C-N 3.31Å; L178-V180 PolarHBondContact O-N 2.84Å; L178-V181 HydrophobicContact CD1-CB 4.18Å; L178-V181 HydrophobicContact CD1-CG1 4.38Å; L178-V181 HydrophobicContact CD1-CG2 4.21Å; L178-V181 PolarHBondContact O-N 2.83Å; L178-A182 WeakPolarHBondContact O-CB 3.24Å; L178-A182 PolarHBondContact O-N 3.37Å; L178-L192 HydrophobicContact CD1-CD1 3.54Å; L178-L192 HydrophobicContact CD1-CD2 4.15Å; L178-L192 HydrophobicContact CD1-CG 4.5Å; L178-L192 HydrophobicContact CG-CD1 3.92Å; L178-L198 HydrophobicContact CD2-CD2 3.37Å; L178-L198 HydrophobicContact CG-CD2 3.78Å; L178-F206 HydrophobicContact CB-CE2 4.15Å; L178-F206 HydrophobicContact CB-CZ 4.4Å; L178-F206 HydrophobicContact CD1-CE2 4.01Å; L178-F206 HydrophobicContact CD1-CZ 3.86Å; L178-F206 HydrophobicContact CG-CE2 4.24Å; L178-F206 HydrophobicContact CG-CZ 4.49Å
179S97.7Very high97Very high18 Ų1838.2 Ų38.213%0.12619%0.194CC..Hα-helixtrans-62.9-35171.974.80000113.2D175 K176 L177D175-S179 WeakPolarHBondContact O-CB 2.85Å; D175-S179 PolarHBondContact O-N 3.09Å; K176-S179 PolarHBondContact O-N 3.1Å; K176-S179 PolarHBondContact O-OG 3.23Å; L177-S179 PolarHBondContact O-N 2.93Å
180V97.8Very high97.2Very high32 Ų3236.8 Ų36.819%0.19418%0.184CC..Hα-helixtrans-83.2-30176.6-58.30000111.9L151 V153 L177 L178 D183L151-V180 HydrophobicContact CD2-CG1 4.39Å; L151-V180 HydrophobicContact CD2-CG2 4.19Å; V153-V180 HydrophobicContact CG1-CG2 4.22Å; L177-V180 HydrophobicContact CD1-CG2 4.42Å; L177-V180 WeakPolarHBondContact O-CG2 3.39Å; L177-V180 PolarHBondContact O-N 3.03Å; L177-V180 VanDerWaalsContact O-N 3.12Å; L178-V180 VanDerWaalsContact C-N 3.31Å; L178-V180 PolarHBondContact O-N 2.84Å; V180-D183 PolarHBondContact O-N 3.44Å
181V98.1Very high97.5Very high1 Ų136 Ų361%0.00618%0.18CC..Hα-helixtrans-65.8-41.9172.3176.70000110.2V153 L162 L177 L178 D183 I184 I187 I190 F206V153-V181 HydrophobicContact CG1-CG2 3.66Å; L162-V181 HydrophobicContact CD2-CG1 3.87Å; L162-V181 HydrophobicContact CD2-CG2 4.12Å; L177-V181 PolarHBondContact O-N 3.32Å; L178-V181 HydrophobicContact CD1-CB 4.18Å; L178-V181 HydrophobicContact CD1-CG1 4.38Å; L178-V181 HydrophobicContact CD1-CG2 4.21Å; L178-V181 PolarHBondContact O-N 2.83Å; V181-D183 PolarHBondContact O-N 2.95Å; V181-D183 VanDerWaalsContact O-N 3.15Å; V181-I184 VanDerWaalsContact O-CB 3.27Å; V181-I184 WeakPolarHBondContact O-CB 3.48Å; V181-I184 WeakPolarHBondContact O-CG1 3.29Å; V181-I184 PolarHBondContact O-N 3.19Å; V181-I187 HydrophobicContact CG1-CD1 3.43Å; V181-I187 VanDerWaalsContact CG1-CD1 3.43Å; V181-I187 WeakPolarHBondContact O-CD1 3.4Å; V181-I190 HydrophobicContact CG1-CD1 4.18Å; V181-F206 HydrophobicContact CB-CZ 4.36Å; V181-F206 HydrophobicContact CG1-CE1 4.03Å; V181-F206 HydrophobicContact CG1-CZ 3.9Å
182A97.5Very high97.7Very high0 Ų030.3 Ų30.30%015%0.154CC..THydrogen-bonded Turntrans-66-13.9178.200000114.1L178 I184 W205 F206 K209L178-A182 WeakPolarHBondContact O-CB 3.24Å; L178-A182 PolarHBondContact O-N 3.37Å; A182-I184 PolarHBondContact O-N 2.77Å; A182-W205 HydrophobicContact CB-CB 3.66Å; A182-F206 HydrophobicContact CB-CD1 4.17Å; A182-F206 HydrophobicContact CB-CE1 4.1Å; A182-K209 HydrophobicContact CB-CD 4.26Å; A182-K209 WeakPolarHBondContact O-CB 3.35Å; A182-K209 WeakPolarHBondContact O-CD 3.31Å
183D97.5Very high97.7Very high71 Ų7132.7 Ų32.738%0.3816%0.163SC..THydrogen-bonded Turntrans-79.7-1.2170.5-70.3-24.2000112.7R157 V180 V181 K209R157-D183 PolarHBondContact NH1-O 3.34Å; V180-D183 PolarHBondContact O-N 3.44Å; V181-D183 PolarHBondContact O-N 2.95Å; V181-D183 VanDerWaalsContact O-N 3.15Å; D183-K209 IonicContact OD1-NZ 2.65Å; D183-K209 PolarHBondContact OD1-NZ 3.03Å
184I97.2Very high97.7Very high0 Ų035 Ų350%017%0.174CC..  trans-9398174.3-51.5167.6000108.4V153 M156 L159 V181 A182 T186 I187V153-I184 WeakPolarHBondContact O-CD1 3.45Å; M156-I184 WeakPolarHBondContact O-CG2 3.32Å; L159-I184 HydrophobicContact CB-CD1 4.24Å; L159-I184 HydrophobicContact CB-CG2 4.16Å; L159-I184 HydrophobicContact CD2-CD1 4.1Å; V181-I184 VanDerWaalsContact O-CB 3.27Å; V181-I184 WeakPolarHBondContact O-CB 3.48Å; V181-I184 WeakPolarHBondContact O-CG1 3.29Å; V181-I184 PolarHBondContact O-N 3.19Å; A182-I184 PolarHBondContact O-N 2.77Å; I184-T186 WeakPolarHBondContact CG2-OG1 3.4Å; I184-T186 PolarHBondContact O-N 2.83Å; I184-I187 HydrophobicContact CB-CD1 3.81Å; I184-I187 HydrophobicContact CB-CG1 4.06Å; I184-I187 HydrophobicContact CD1-CD1 4.44Å; I184-I187 HydrophobicContact CG2-CD1 4.37Å; I184-I187 HydrophobicContact CG2-CG1 4.09Å; I184-I187 WeakPolarHBondContact O-CG1 3.42Å; I184-I187 PolarHBondContact O-N 3.35Å
185E95.8Very high97.7Very high137 Ų13733.6 Ų33.664%0.6417%0.166SC*.THydrogen-bonded Turntrans-65.2-23.2-173.3-63.2177.6-175.400113.5I187 Y212E185-I187 PolarHBondContact O-N 2.96Å; E185-Y212 WeakPolarHBondContact O-CD2 3.33Å
186T97.4Very high97.5Very high56 Ų5635.5 Ų35.534%0.34418%0.176SC..THydrogen-bonded Turntrans-76.3-5.3-177.352.70000114.6R157 L159 I184 T188R157-T186 PolarHBondContact O-OG1 3.25Å; L159-T186 CarbonylContact O-C 3.57Å; L159-T186 PolarHBondContact O-OG1 3.3Å; I184-T186 WeakPolarHBondContact CG2-OG1 3.4Å; I184-T186 PolarHBondContact O-N 2.83Å; T186-T188 PolarHBondContact O-N 2.83Å
187I98.3Very high97.4Very high0 Ų031 Ų310%016%0.163CC..  trans-61.4123.7-178-73.2172.5000110.8L159 V181 I184 E185 I190 F206 Y212 L213L159-I187 PolarHBondContact O-N 2.94Å; V181-I187 HydrophobicContact CG1-CD1 3.43Å; V181-I187 VanDerWaalsContact CG1-CD1 3.43Å; V181-I187 WeakPolarHBondContact O-CD1 3.4Å; I184-I187 HydrophobicContact CB-CD1 3.81Å; I184-I187 HydrophobicContact CB-CG1 4.06Å; I184-I187 HydrophobicContact CD1-CD1 4.44Å; I184-I187 HydrophobicContact CG2-CD1 4.37Å; I184-I187 HydrophobicContact CG2-CG1 4.09Å; I184-I187 WeakPolarHBondContact O-CG1 3.42Å; I184-I187 PolarHBondContact O-N 3.35Å; E185-I187 PolarHBondContact O-N 2.96Å; I187-I190 HydrophobicContact CD1-CD1 4.11Å; I187-I190 HydrophobicContact CG2-CD1 3.61Å; I187-I190 HydrophobicContact CG2-CG1 3.55Å; I187-F206 HydrophobicContact CD1-CE1 4.24Å; I187-Y212 CarbonylContact O-C 3.56Å; I187-Y212 VanDerWaalsContact O-C 3.29Å; I187-L213 HydrophobicContact CG2-CD1 3.91Å; I187-L213 PolarHBondContact O-N 2.84Å
188T98.5Very high97.3Very high31 Ų3130.6 Ų30.619%0.1916%0.16CC..  trans-107.7-31.7173.654.70000111.8N160 T186 Y212 S214 N215N160-T188 PolarHBondContact O-N 3.22Å; N160-T188 PolarHBondContact O-OG1 2.64Å; T186-T188 PolarHBondContact O-N 2.83Å; T188-Y212 WeakPolarHBondContact CA-O 3.39Å; T188-S214 PolarHBondContact O-N 2.75Å; T188-S214 PolarHBondContact O-OG 2.77Å; T188-N215 PolarHBondContact O-N 3.36Å
189E98.7Very high97.3Very high65 Ų6532.8 Ų32.830%0.30417%0.174SC..EExtended strand (participates in β ladder)trans-135.7129.2-173.2-53-165.9-153.900112.4N160 M161 L162 H191 N215N160-E189 PolarHBondContact O-N 3.35Å; M161-E189 WeakPolarHBondContact CA-O 3.45Å; M161-E189 HydrophobicContact CB-CB 4Å; M161-E189 HydrophobicContact CG-CB 3.66Å; M161-E189 HydrophobicContact CG-CG 4.42Å; L162-E189 PolarHBondContact N-O 3.17Å; L162-E189 VanDerWaalsContact N-O 3.07Å; E189-H191 IonicContact OE2-CD2 3.83Å; E189-H191 IonicContact OE2-CE1 3.8Å; E189-H191 IonicContact OE2-NE2 3.83Å; E189-H191 PolarHBondContact OE2-NE2 2.89Å; E189-N215 CarbonylContact C-O 3.53Å; E189-N215 VanDerWaalsContact CA-O 3.31Å; E189-N215 WeakPolarHBondContact CA-O 3.4Å; E189-N215 HydrophobicContact CB-CB 4.23Å; E189-N215 HydrophobicContact CG-CB 3.91Å
190I98.5Very high97.2Very high1 Ų134 Ų341%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-127.6116.2173.8-67.8-63000108.5L162 V181 I187 L192 F206 L213 N215 V216 D217L162-I190 HydrophobicContact CB-CD1 3.87Å; L162-I190 HydrophobicContact CD2-CD1 4.39Å; V181-I190 HydrophobicContact CG1-CD1 4.18Å; I187-I190 HydrophobicContact CD1-CD1 4.11Å; I187-I190 HydrophobicContact CG2-CD1 3.61Å; I187-I190 HydrophobicContact CG2-CG1 3.55Å; I190-L192 HydrophobicContact CG2-CD1 3.39Å; I190-L192 HydrophobicContact CG2-CD2 4.39Å; I190-L192 HydrophobicContact CG2-CG 3.47Å; I190-L192 VanDerWaalsContact CG2-CG 3.47Å; I190-F206 HydrophobicContact CD1-CE1 3.8Å; I190-F206 HydrophobicContact CD1-CZ 3.84Å; I190-F206 HydrophobicContact CG1-CD1 4.19Å; I190-F206 HydrophobicContact CG1-CE1 3.79Å; I190-F206 HydrophobicContact CG1-CZ 3.96Å; I190-F206 HydrophobicContact CG2-CE2 4.33Å; I190-F206 HydrophobicContact CG2-CZ 4.38Å; I190-L213 HydrophobicContact CB-CD1 4.34Å; I190-L213 HydrophobicContact CG1-CD1 3.93Å; I190-N215 PolarHBondContact N-O 2.9Å; I190-V216 CarbonylContact O-C 3.51Å; I190-V216 WeakPolarHBondContact O-CA 3.29Å; I190-D217 PolarHBondContact O-N 3.06Å
191H98.4Very high97.2Very high28 Ų2840.4 Ų40.413%0.1320%0.2CC..EExtended strand (participates in β ladder)trans-118.393.5176-55.4-94.4000108.3L162 L163 V164 E189 D217L162-H191 PolarHBondContact O-N 3.07Å; L163-H191 CarbonylContact C-O 3.44Å; L163-H191 VanDerWaalsContact CA-O 3.29Å; L163-H191 WeakPolarHBondContact CA-O 3.28Å; L163-H191 HydrophobicContact CB-CB 3.98Å; L163-H191 HydrophobicContact CD1-CB 3.92Å; L163-H191 HydrophobicContact CG-CB 3.71Å; V164-H191 PolarHBondContact N-O 3Å; E189-H191 IonicContact OE2-CD2 3.83Å; E189-H191 IonicContact OE2-CE1 3.8Å; E189-H191 IonicContact OE2-NE2 3.83Å; E189-H191 PolarHBondContact OE2-NE2 2.89Å; H191-D217 CarbonylContact C-O 3.5Å; H191-D217 WeakPolarHBondContact CA-O 3.34Å; H191-D217 HydrophobicContact CB-CB 4.19Å; H191-D217 WeakPolarHBondContact ND1-CB 3.35Å
192L98Very high97.1Very high0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-114.486.9-178.6-58.7168.7000107.7L162 V164 I173 L178 I190 C195 L198 F206 D217 V218 C221L162-L192 HydrophobicContact CD2-CD2 4.16Å; L162-L192 HydrophobicContact CG-CD2 4.46Å; V164-L192 HydrophobicContact CB-CD2 4.11Å; V164-L192 HydrophobicContact CG2-CD2 4.02Å; I173-L192 HydrophobicContact CG2-CD2 4.18Å; L178-L192 HydrophobicContact CD1-CD1 3.54Å; L178-L192 HydrophobicContact CD1-CD2 4.15Å; L178-L192 HydrophobicContact CD1-CG 4.5Å; L178-L192 HydrophobicContact CG-CD1 3.92Å; I190-L192 HydrophobicContact CG2-CD1 3.39Å; I190-L192 HydrophobicContact CG2-CD2 4.39Å; I190-L192 HydrophobicContact CG2-CG 3.47Å; I190-L192 VanDerWaalsContact CG2-CG 3.47Å; L192-C195 HydrophobicContact CB-CB 4.49Å; L192-L198 HydrophobicContact CB-CD1 3.58Å; L192-L198 HydrophobicContact CD1-CD1 3.59Å; L192-L198 HydrophobicContact CG-CD1 4.16Å; L192-F206 HydrophobicContact CD1-CE2 4.42Å; L192-D217 PolarHBondContact N-O 3.41Å; L192-V218 WeakPolarHBondContact O-CA 3.31Å; L192-C221 PolarHBondContact O-SG 3.03Å
193R97.7Very high97.1Very high59 Ų5940.4 Ų40.422%0.22320%0.2CC..  trans-95.4143.3-175.6-61.4-178-174.8148.44.2110.7V164 D165 C195 D217 T219V164-R193 PolarHBondContact O-N 2.81Å; D165-R193 HydrophobicContact CB-CB 4.42Å; D165-R193 VanDerWaalsContact OD1-CB 3.27Å; D165-R193 WeakPolarHBondContact OD1-CB 3.47Å; D165-R193 WeakPolarHBondContact OD2-CD 3.02Å; D165-R193 IonicContact OD2-CZ 3.24Å; D165-R193 IonicContact OD2-NE 3.62Å; D165-R193 IonicContact OD2-NH1 2.76Å; D165-R193 PolarHBondContact OD2-NH1 3.1Å; R193-C195 PolarHBondContact O-N 2.95Å; R193-C195 VanDerWaalsContact O-N 3.08Å; R193-C195 PolarHBondContact O-SG 2.96Å; R193-D217 IonicContact CZ-OD2 2.85Å; R193-D217 VanDerWaalsContact CZ-OD2 3.24Å; R193-D217 IonicContact NE-OD1 3.14Å; R193-D217 IonicContact NE-OD2 3.91Å; R193-D217 PolarHBondContact NE-OD2 3.24Å; R193-D217 IonicContact NH2-OD2 3.2Å; R193-D217 PolarHBondContact NH2-OD2 2.84Å; R193-T219 CarbonylContact C-O 3.5Å; R193-T219 VanDerWaalsContact CA-O 3.27Å; R193-T219 WeakPolarHBondContact CA-O 3.13Å
194H96.6Very high97.1Very high52 Ų5241.9 Ų41.924%0.24120%0.203CC..SBendtrans52.931.5179.1-49.6116.1000113.8D165 D166 N170 D196 T219 E250D165-H194 IonicContact OD1-ND1 2.73Å; D166-H194 IonicContact OD1-CE1 3.75Å; D166-H194 IonicContact OD1-CG 3.6Å; D166-H194 IonicContact OD1-ND1 3.97Å; D166-H194 PolarHBondContact OD1-ND1 2.73Å; N170-H194 WeakPolarHBondContact CB-O 3.38Å; N170-H194 PolarHBondContact ND2-O 3.34Å; H194-D196 PolarHBondContact O-N 2.82Å; H194-T219 PolarHBondContact N-O 3.4Å; H194-E250 IonicContact NE2-OE1 2.9Å; H194-E250 IonicContact NE2-OE2 3.65Å
195C96.5Very high97.1Very high3 Ų345 Ų452%0.0221%0.214CC..  trans-95.776.6179.4-65.80000110.6I173 L192 R193 A197 L198 C221I173-C195 HydrophobicContact CB-CB 4.31Å; I173-C195 HydrophobicContact CG2-CB 4.1Å; I173-C195 VanDerWaalsContact CG2-SG 3.53Å; L192-C195 HydrophobicContact CB-CB 4.49Å; R193-C195 PolarHBondContact O-N 2.95Å; R193-C195 VanDerWaalsContact O-N 3.08Å; R193-C195 PolarHBondContact O-SG 2.96Å; C195-A197 PolarHBondContact O-N 3.15Å; C195-L198 HydrophobicContact CB-CD1 3.44Å; C195-L198 VanDerWaalsContact CB-CD1 3.44Å; C195-L198 HydrophobicContact CB-CG 3.7Å; C195-L198 WeakPolarHBondContact O-CB 3.27Å; C195-L198 WeakPolarHBondContact O-CG 3.38Å; C195-L198 PolarHBondContact O-N 3.34Å; C195-L198 VanDerWaalsContact O-N 3.09Å; C195-C221 PolarHBondContact N-SG 3.34Å; C195-C221 VanDerWaalsContact N-SG 3.43Å
196D93.5Very high97.1Very high56 Ų5638.6 Ų38.630%0.29918%0.184SC..THydrogen-bonded Turntrans-64.3-13.9-170.8-72.9-34.4000115.3N170 H194 K222 A223N170-D196 PolarHBondContact ND2-N 3Å; N170-D196 PolarHBondContact ND2-OD2 3.06Å; H194-D196 PolarHBondContact O-N 2.82Å; D196-K222 WeakPolarHBondContact OD1-CD 3.43Å; D196-K222 WeakPolarHBondContact OD1-CG 3.32Å; D196-K222 PolarHBondContact OD1-N 2.81Å; D196-K222 IonicContact OD2-NZ 3.97Å; D196-A223 VanDerWaalsContact O-CB 3.27Å; D196-A223 WeakPolarHBondContact O-CB 3.32Å
197A95.8Very high97Very high32 Ų3236 Ų3626%0.26417%0.169SC..THydrogen-bonded Turntrans-89.40.617700000114F171 N174 C195F171-A197 HydrophobicContact CB-CB 4.4Å; N174-A197 HydrophobicContact CB-CB 3.95Å; C195-A197 PolarHBondContact O-N 3.15Å
198L96.1Very high96.9Very high0 Ų041.9 Ų41.90%020%0.196CC..  trans-79.6127.2174.4-62-178.9000110.8I173 L178 L192 C195 A223I173-L198 WeakPolarHBondContact O-CD2 3.37Å; L178-L198 HydrophobicContact CD2-CD2 3.37Å; L178-L198 HydrophobicContact CG-CD2 3.78Å; L192-L198 HydrophobicContact CB-CD1 3.58Å; L192-L198 HydrophobicContact CD1-CD1 3.59Å; L192-L198 HydrophobicContact CG-CD1 4.16Å; C195-L198 HydrophobicContact CB-CD1 3.44Å; C195-L198 VanDerWaalsContact CB-CD1 3.44Å; C195-L198 HydrophobicContact CB-CG 3.7Å; C195-L198 WeakPolarHBondContact O-CB 3.27Å; C195-L198 WeakPolarHBondContact O-CG 3.38Å; C195-L198 PolarHBondContact O-N 3.34Å; C195-L198 VanDerWaalsContact O-N 3.09Å; L198-A223 CarbonylContact O-C 3.42Å; L198-A223 WeakPolarHBondContact O-CB 3.39Å
199T96.8Very high96.8Very high47 Ų4744.2 Ų44.229%0.28820%0.204SC..  trans-113.8174.6176830000111D175 R201 S202 L224D175-T199 PolarHBondContact OD1-N 3.35Å; D175-T199 PolarHBondContact OD2-OG1 3.22Å; T199-R201 PolarHBondContact O-N 3.32Å; T199-R201 PolarHBondContact OG1-N 2.94Å; T199-S202 PolarHBondContact O-N 3.04Å; T199-S202 PolarHBondContact O-OG 3.05Å; T199-L224 WeakPolarHBondContact O-CD2 3.45Å
200D97.1Very high96.7Very high44 Ų4441.1 Ų41.124%0.23519%0.189CC..Hα-helixtrans-53.3-21177.3-63.8-19.5000113.6M203 K204 T225 G228D200-M203 PolarHBondContact O-N 3.38Å; D200-K204 PolarHBondContact O-N 3.06Å; D200-T225 PolarHBondContact OD1-N 2.84Å; D200-T225 PolarHBondContact OD1-OG1 2.75Å; D200-T225 PolarHBondContact OD2-OG1 2.73Å; D200-G228 VanDerWaalsContact CG-CA 3.49Å; D200-G228 VanDerWaalsContact CG-N 3.26Å; D200-G228 WeakPolarHBondContact OD1-CA 3.37Å; D200-G228 PolarHBondContact OD1-N 2.97Å
201R97.5Very high96.7Very high166 Ų16643 Ų4363%0.62620%0.201SC*.Hα-helixtrans-61.3-42.3174.4-66.1-179.8-174.3155.32.6112.5T199 M203 K204 W205T199-R201 PolarHBondContact O-N 3.32Å; T199-R201 PolarHBondContact OG1-N 2.94Å; R201-M203 VanDerWaalsContact C-N 3.35Å; R201-K204 PolarHBondContact O-N 2.71Å; R201-W205 HydrophobicContact CB-CH2 4.16Å; R201-W205 HydrophobicContact CB-CZ2 4.41Å; R201-W205 HydrophobicContact CB-CZ3 4.3Å; R201-W205 PolarHBondContact O-N 3.39Å; R201-W205 VanDerWaalsContact O-N 3.09Å
202S96.7Very high96.7Very high0 Ų046.9 Ų46.90%022%0.216CC..Hα-helixtrans-59.9-47.4178.263.60000111.1D175 T199 K204 W205 F206D175-S202 WeakPolarHBondContact OD1-CB 3.41Å; T199-S202 PolarHBondContact O-N 3.04Å; T199-S202 PolarHBondContact O-OG 3.05Å; S202-K204 VanDerWaalsContact C-N 3.35Å; S202-K204 PolarHBondContact O-N 2.98Å; S202-W205 PolarHBondContact O-N 3.46Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å; S202-F206 PolarHBondContact O-N 3.09Å; S202-F206 VanDerWaalsContact O-N 3.1Å
203M96.6Very high96.7Very high1 Ų147 Ų471%0.00522%0.216CC..Hα-helixtrans-61.4-44177.7-65.8-57.610400111.3D200 R201 W205 F206 S207 V216 V218 L224 G228 L232D200-M203 PolarHBondContact O-N 3.38Å; R201-M203 VanDerWaalsContact C-N 3.35Å; M203-W205 VanDerWaalsContact C-N 3.33Å; M203-W205 PolarHBondContact O-N 2.86Å; M203-F206 HydrophobicContact CE-CD2 4.03Å; M203-F206 PolarHBondContact O-N 3.29Å; M203-S207 WeakPolarHBondContact O-CB 3.49Å; M203-S207 PolarHBondContact O-N 3.26Å; M203-S207 PolarHBondContact O-OG 3.22Å; M203-V216 HydrophobicContact SD-CG1 4.31Å; M203-V218 HydrophobicContact CE-CG1 3.93Å; M203-V218 HydrophobicContact SD-CG1 4.16Å; M203-L224 HydrophobicContact CE-CD1 4.4Å; M203-L224 HydrophobicContact CG-CD1 4.37Å; M203-L224 HydrophobicContact CG-CD2 3.61Å; M203-G228 WeakPolarHBondContact CB-O 2.8Å; M203-L232 HydrophobicContact SD-CD1 3.96Å
204K96.9Very high96.7Very high101 Ų10144.9 Ų44.944%0.43921%0.21SC..Hα-helixtrans-55.7-45.7175.7-177177.5177.1178.70112.4D200 R201 S202 S207 E208D200-K204 PolarHBondContact O-N 3.06Å; R201-K204 PolarHBondContact O-N 2.71Å; S202-K204 VanDerWaalsContact C-N 3.35Å; S202-K204 PolarHBondContact O-N 2.98Å; K204-S207 WeakPolarHBondContact O-CB 3.33Å; K204-S207 PolarHBondContact O-N 3.23Å; K204-E208 WeakPolarHBondContact CE-OE1 3.4Å; K204-E208 IonicContact NZ-OE1 3.81Å; K204-E208 WeakPolarHBondContact O-CG 3.44Å; K204-E208 PolarHBondContact O-N 3.08Å
205W97.3Very high96.7Very high66 Ų6644.6 Ų44.625%0.2521%0.211CC..Hα-helixtrans-63.8-43.6177.8-65.2-40.2000112.3D175 A182 R201 S202 M203 S207 E208 K209D175-W205 HydrophobicContact CB-CH2 3.98Å; D175-W205 HydrophobicContact CB-CZ3 3.76Å; D175-W205 WeakPolarHBondContact O-CZ3 3.17Å; A182-W205 HydrophobicContact CB-CB 3.66Å; R201-W205 HydrophobicContact CB-CH2 4.16Å; R201-W205 HydrophobicContact CB-CZ2 4.41Å; R201-W205 HydrophobicContact CB-CZ3 4.3Å; R201-W205 PolarHBondContact O-N 3.39Å; R201-W205 VanDerWaalsContact O-N 3.09Å; S202-W205 PolarHBondContact O-N 3.46Å; M203-W205 VanDerWaalsContact C-N 3.33Å; M203-W205 PolarHBondContact O-N 2.86Å; W205-S207 VanDerWaalsContact C-N 3.31Å; W205-S207 PolarHBondContact O-N 3.01Å; W205-E208 PolarHBondContact O-N 3.43Å; W205-K209 WeakPolarHBondContact O-CB 3.41Å; W205-K209 PolarHBondContact O-N 2.96Å
206F97Very high96.8Very high2 Ų244.8 Ų44.81%0.00921%0.212CC..Hα-helixtrans-63.1-36.9175.8-76.7-57.2000112.8L178 V181 A182 I187 I190 L192 S202 M203 C210 L213 K239L178-F206 HydrophobicContact CB-CE2 4.15Å; L178-F206 HydrophobicContact CB-CZ 4.4Å; L178-F206 HydrophobicContact CD1-CE2 4.01Å; L178-F206 HydrophobicContact CD1-CZ 3.86Å; L178-F206 HydrophobicContact CG-CE2 4.24Å; L178-F206 HydrophobicContact CG-CZ 4.49Å; V181-F206 HydrophobicContact CB-CZ 4.36Å; V181-F206 HydrophobicContact CG1-CE1 4.03Å; V181-F206 HydrophobicContact CG1-CZ 3.9Å; A182-F206 HydrophobicContact CB-CD1 4.17Å; A182-F206 HydrophobicContact CB-CE1 4.1Å; I187-F206 HydrophobicContact CD1-CE1 4.24Å; I190-F206 HydrophobicContact CD1-CE1 3.8Å; I190-F206 HydrophobicContact CD1-CZ 3.84Å; I190-F206 HydrophobicContact CG1-CD1 4.19Å; I190-F206 HydrophobicContact CG1-CE1 3.79Å; I190-F206 HydrophobicContact CG1-CZ 3.96Å; I190-F206 HydrophobicContact CG2-CE2 4.33Å; I190-F206 HydrophobicContact CG2-CZ 4.38Å; L192-F206 HydrophobicContact CD1-CE2 4.42Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å; S202-F206 PolarHBondContact O-N 3.09Å; S202-F206 VanDerWaalsContact O-N 3.1Å; M203-F206 HydrophobicContact CE-CD2 4.03Å; M203-F206 PolarHBondContact O-N 3.29Å; F206-C210 HydrophobicContact CD1-CB 4.47Å; F206-C210 VanDerWaalsContact CD1-SG 3.6Å; F206-C210 WeakPolarHBondContact O-CB 3.44Å; F206-C210 PolarHBondContact O-N 3.19Å; F206-L213 HydrophobicContact CB-CD2 3.92Å; F206-K239 PolarHBondContact O-NZ 3.24Å
207S95.3Very high97Very high2 Ų242.4 Ų42.41%0.01420%0.199CC..Hα-helixtrans-60-46.3172.5-56.30000111.8M203 K204 W205 C231 L232 S235 K239M203-S207 WeakPolarHBondContact O-CB 3.49Å; M203-S207 PolarHBondContact O-N 3.26Å; M203-S207 PolarHBondContact O-OG 3.22Å; K204-S207 WeakPolarHBondContact O-CB 3.33Å; K204-S207 PolarHBondContact O-N 3.23Å; W205-S207 VanDerWaalsContact C-N 3.31Å; W205-S207 PolarHBondContact O-N 3.01Å; S207-C231 WeakPolarHBondContact CB-O 3.46Å; S207-C231 WeakPolarHBondContact OG-CB 3.47Å; S207-C231 PolarHBondContact OG-O 3.48Å; S207-L232 VanDerWaalsContact OG-CA 3.31Å; S207-L232 WeakPolarHBondContact OG-CA 3.32Å; S207-L232 WeakPolarHBondContact OG-CD2 3.27Å; S207-L232 PolarHBondContact OG-N 3.5Å; S207-S235 WeakPolarHBondContact CB-OG 3.35Å; S207-S235 WeakPolarHBondContact O-CB 3.35Å; S207-K239 PolarHBondContact O-NZ 3.41Å
208E95.6Very high97.1Very high123 Ų12340.9 Ų40.958%0.57519%0.187SC*.Hα-helixtrans-82.9-36-172.7-69.6174169.900113.7K204 W205K204-E208 WeakPolarHBondContact CE-OE1 3.4Å; K204-E208 IonicContact NZ-OE1 3.81Å; K204-E208 WeakPolarHBondContact O-CG 3.44Å; K204-E208 PolarHBondContact O-N 3.08Å; W205-E208 PolarHBondContact O-N 3.43Å
209K96.5Very high97.2Very high80 Ų8041.2 Ų41.235%0.34819%0.189SC..Hα-helixtrans-106.4-19.5-166.9-61.4-175.6173.7-174.60115.6A182 D183 W205 P211A182-K209 HydrophobicContact CB-CD 4.26Å; A182-K209 WeakPolarHBondContact O-CB 3.35Å; A182-K209 WeakPolarHBondContact O-CD 3.31Å; D183-K209 IonicContact OD1-NZ 2.65Å; D183-K209 PolarHBondContact OD1-NZ 3.03Å; W205-K209 WeakPolarHBondContact O-CB 3.41Å; W205-K209 PolarHBondContact O-N 2.96Å; K209-P211 WeakPolarHBondContact O-CD 3.48Å
210C97.3Very high97.2Very high0 Ų039 Ų390%018%0.175CC..  trans-108.288-175.2-58.90000110.7F206 Y212 L213 K239F206-C210 HydrophobicContact CD1-CB 4.47Å; F206-C210 VanDerWaalsContact CD1-SG 3.6Å; F206-C210 WeakPolarHBondContact O-CB 3.44Å; F206-C210 PolarHBondContact O-N 3.19Å; C210-Y212 VanDerWaalsContact C-N 3.27Å; C210-Y212 PolarHBondContact O-N 2.88Å; C210-L213 HydrophobicContact CB-CB 4Å; C210-L213 WeakPolarHBondContact O-CB 3.47Å; C210-L213 PolarHBondContact O-N 3.14Å; C210-K239 PolarHBondContact O-NZ 3.04Å
211P97.1Very high97.1Very high40 Ų4036.9 Ų36.926%0.2616%0.164SC..THydrogen-bonded Turntrans-69.8-22.9-175.428-35.6000113.2K209 K239 V240K209-P211 WeakPolarHBondContact O-CD 3.48Å; P211-K239 CarbonylContact O-C 3.6Å; P211-K239 WeakPolarHBondContact O-CA 3.33Å; P211-V240 HydrophobicContact CB-CG2 4.22Å; P211-V240 PolarHBondContact O-N 2.76Å
212Y98Very high96.9Very high111 Ų11136.2 Ų36.244%0.43517%0.165SC..THydrogen-bonded Turntrans-91-0.4179.3-62.2-84000113.8E185 I187 T188 C210 S214 V240 H241E185-Y212 WeakPolarHBondContact O-CD2 3.33Å; I187-Y212 CarbonylContact O-C 3.56Å; I187-Y212 VanDerWaalsContact O-C 3.29Å; T188-Y212 WeakPolarHBondContact CA-O 3.39Å; C210-Y212 VanDerWaalsContact C-N 3.27Å; C210-Y212 PolarHBondContact O-N 2.88Å; Y212-S214 PolarHBondContact O-N 3.5Å; Y212-S214 VanDerWaalsContact O-N 3.15Å; Y212-V240 HydrophobicContact CD1-CB 3.98Å; Y212-V240 HydrophobicContact CD1-CG1 4.06Å; Y212-V240 HydrophobicContact CD1-CG2 3.95Å; Y212-V240 HydrophobicContact CE1-CB 4.17Å; Y212-V240 HydrophobicContact CE1-CG1 3.98Å; Y212-V240 HydrophobicContact CE1-CG2 3.82Å; Y212-V240 HydrophobicContact CG-CG2 4.47Å; Y212-H241 PolarHBondContact O-CD2 3.22Å; Y212-H241 PolarHBondContact O-NE2 3.04Å
213L98.1Very high96.9Very high1 Ų138.3 Ų38.31%0.00518%0.182CC..  trans-62.8118.5-178.2-173.769.9000111I187 I190 F206 C210 V216 L232I187-L213 HydrophobicContact CG2-CD1 3.91Å; I187-L213 PolarHBondContact O-N 2.84Å; I190-L213 HydrophobicContact CB-CD1 4.34Å; I190-L213 HydrophobicContact CG1-CD1 3.93Å; F206-L213 HydrophobicContact CB-CD2 3.92Å; C210-L213 HydrophobicContact CB-CB 4Å; C210-L213 WeakPolarHBondContact O-CB 3.47Å; C210-L213 PolarHBondContact O-N 3.14Å; L213-V216 HydrophobicContact CD1-CG2 3.98Å; L213-V216 HydrophobicContact CD2-CG2 3.66Å; L213-V216 HydrophobicContact CG-CG2 3.84Å; L213-L232 HydrophobicContact CD2-CD2 3.88Å
214S97.6Very high96.8Very high15 Ų1538.6 Ų38.611%0.10518%0.184CC..  trans-124.4-20.7-179.963.70000113.3T188 Y212 V244 H245T188-S214 PolarHBondContact O-N 2.75Å; T188-S214 PolarHBondContact O-OG 2.77Å; Y212-S214 PolarHBondContact O-N 3.5Å; Y212-S214 VanDerWaalsContact O-N 3.15Å; S214-V244 CarbonylContact O-C 3.55Å; S214-V244 VanDerWaalsContact O-CA 3.3Å; S214-V244 WeakPolarHBondContact O-CA 3.48Å; S214-H245 PolarHBondContact O-N 3.26Å
215N98.5Very high96.8Very high47 Ų4736.8 Ų36.825%0.25118%0.182SC..EExtended strand (participates in β ladder)trans-132.1122.8-179.3-6260.6000110.2T188 E189 I190 H245T188-N215 PolarHBondContact O-N 3.36Å; E189-N215 CarbonylContact C-O 3.53Å; E189-N215 VanDerWaalsContact CA-O 3.31Å; E189-N215 WeakPolarHBondContact CA-O 3.4Å; E189-N215 HydrophobicContact CB-CB 4.23Å; E189-N215 HydrophobicContact CG-CB 3.91Å; I190-N215 PolarHBondContact N-O 2.9Å; N215-H245 CarbonylContact C-O 3.57Å; N215-H245 WeakPolarHBondContact CA-O 3.23Å
216V98.3Very high96.6Very high6 Ų634.2 Ų34.24%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-126.6122.5177.4-179.50000107.7I190 M203 L213 V218 L232 H245 V246 K247I190-V216 CarbonylContact O-C 3.51Å; I190-V216 WeakPolarHBondContact O-CA 3.29Å; M203-V216 HydrophobicContact SD-CG1 4.31Å; L213-V216 HydrophobicContact CD1-CG2 3.98Å; L213-V216 HydrophobicContact CD2-CG2 3.66Å; L213-V216 HydrophobicContact CG-CG2 3.84Å; V216-V218 HydrophobicContact CG1-CG1 3.87Å; V216-L232 HydrophobicContact CG1-CD1 4.25Å; V216-L232 HydrophobicContact CG2-CD1 4.21Å; V216-H245 PolarHBondContact N-O 3.03Å; V216-V246 HydrophobicContact CB-CG1 4.33Å; V216-V246 HydrophobicContact CB-CG2 4.34Å; V216-V246 HydrophobicContact CG1-CG1 4.38Å; V216-V246 CarbonylContact O-C 3.48Å; V216-V246 VanDerWaalsContact O-CA 3.23Å; V216-V246 WeakPolarHBondContact O-CA 3.41Å; V216-K247 PolarHBondContact O-N 2.85Å
217D98Very high96.5Very high7 Ų735.9 Ų35.94%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-122112.2170.2-172.6-12.3000107.9I190 H191 L192 R193 T219 K247I190-D217 PolarHBondContact O-N 3.06Å; H191-D217 CarbonylContact C-O 3.5Å; H191-D217 WeakPolarHBondContact CA-O 3.34Å; H191-D217 HydrophobicContact CB-CB 4.19Å; H191-D217 WeakPolarHBondContact ND1-CB 3.35Å; L192-D217 PolarHBondContact N-O 3.41Å; R193-D217 IonicContact CZ-OD2 2.85Å; R193-D217 VanDerWaalsContact CZ-OD2 3.24Å; R193-D217 IonicContact NE-OD1 3.14Å; R193-D217 IonicContact NE-OD2 3.91Å; R193-D217 PolarHBondContact NE-OD2 3.24Å; R193-D217 IonicContact NH2-OD2 3.2Å; R193-D217 PolarHBondContact NH2-OD2 2.84Å; D217-T219 VanDerWaalsContact OD1-CB 3.28Å; D217-T219 WeakPolarHBondContact OD1-CB 3.43Å; D217-T219 PolarHBondContact OD1-N 2.88Å; D217-T219 PolarHBondContact OD1-OG1 3.42Å; D217-K247 HydrophobicContact CB-CB 4.23Å; D217-K247 IonicContact OD1-NZ 2.99Å; D217-K247 IonicContact OD2-NZ 2.67Å; D217-K247 PolarHBondContact OD2-NZ 2.77Å
218V97.7Very high96.5Very high0 Ų035.8 Ų35.80%019%0.188CC..  trans-118.227.6178.6-68.40000111L192 M203 V216 G220 C221 L224 L229 K247 V248 L251L192-V218 WeakPolarHBondContact O-CA 3.31Å; M203-V218 HydrophobicContact CE-CG1 3.93Å; M203-V218 HydrophobicContact SD-CG1 4.16Å; V216-V218 HydrophobicContact CG1-CG1 3.87Å; V218-G220 PolarHBondContact O-N 2.82Å; V218-C221 HydrophobicContact CB-CB 4.33Å; V218-C221 VanDerWaalsContact O-CB 3.32Å; V218-C221 WeakPolarHBondContact O-CB 3.3Å; V218-C221 PolarHBondContact O-N 2.95Å; V218-C221 VanDerWaalsContact O-N 3.08Å; V218-C221 PolarHBondContact O-SG 3.29Å; V218-L224 HydrophobicContact CB-CD1 3.62Å; V218-L224 HydrophobicContact CG1-CD1 3.72Å; V218-L224 HydrophobicContact CG2-CD1 3.92Å; V218-L229 HydrophobicContact CG2-CD2 4.29Å; V218-K247 PolarHBondContact N-O 3.2Å; V218-V248 HydrophobicContact CG2-CG1 4.16Å; V218-L251 HydrophobicContact CG2-CD2 4.14Å; V218-L251 VanDerWaalsContact O-CD1 3.25Å; V218-L251 WeakPolarHBondContact O-CD1 3.32Å
219T97Very high96.5Very high7 Ų730 Ų304%0.04316%0.161CC..THydrogen-bonded Turntrans-45.5128.9180-61.80000110.8R193 H194 D217 C221 K247 S249 E250R193-T219 CarbonylContact C-O 3.5Å; R193-T219 VanDerWaalsContact CA-O 3.27Å; R193-T219 WeakPolarHBondContact CA-O 3.13Å; H194-T219 PolarHBondContact N-O 3.4Å; D217-T219 VanDerWaalsContact OD1-CB 3.28Å; D217-T219 WeakPolarHBondContact OD1-CB 3.43Å; D217-T219 PolarHBondContact OD1-N 2.88Å; D217-T219 PolarHBondContact OD1-OG1 3.42Å; T219-C221 VanDerWaalsContact C-N 3.26Å; T219-C221 PolarHBondContact O-N 3.28Å; T219-K247 WeakPolarHBondContact OG1-CE 3.45Å; T219-K247 PolarHBondContact OG1-NZ 3.16Å; T219-S249 CarbonylContact C-O 3.46Å; T219-S249 VanDerWaalsContact CA-O 3.25Å; T219-S249 WeakPolarHBondContact CA-O 3.23Å; T219-S249 WeakPolarHBondContact CG2-O 3.29Å; T219-E250 HydrophobicContact CG2-CG 4.4Å
220G96.2Very high96.4Very high0 Ų026.2 Ų26.20%014%0.144CC..THydrogen-bonded Turntrans69.49.4175.600000116.5V218 K222 S249 L251V218-G220 PolarHBondContact O-N 2.82Å; G220-K222 PolarHBondContact O-N 2.8Å; G220-K222 VanDerWaalsContact O-N 3.14Å; G220-S249 PolarHBondContact N-O 2.79Å; G220-L251 VanDerWaalsContact N-CD1 3.33Å
221C96.4Very high96.3Very high0 Ų027.8 Ų27.80%016%0.155CC..  trans-79.287.2172.9-69.30000111.8L192 C195 V218 T219 A223 L224L192-C221 PolarHBondContact O-SG 3.03Å; C195-C221 PolarHBondContact N-SG 3.34Å; C195-C221 VanDerWaalsContact N-SG 3.43Å; V218-C221 HydrophobicContact CB-CB 4.33Å; V218-C221 VanDerWaalsContact O-CB 3.32Å; V218-C221 WeakPolarHBondContact O-CB 3.3Å; V218-C221 PolarHBondContact O-N 2.95Å; V218-C221 VanDerWaalsContact O-N 3.08Å; V218-C221 PolarHBondContact O-SG 3.29Å; T219-C221 VanDerWaalsContact C-N 3.26Å; T219-C221 PolarHBondContact O-N 3.28Å; C221-A223 VanDerWaalsContact C-N 3.29Å; C221-A223 PolarHBondContact O-N 2.9Å; C221-L224 HydrophobicContact CB-CD1 3.7Å; C221-L224 HydrophobicContact CB-CG 4.16Å; C221-L224 PolarHBondContact O-N 3.19Å; C221-L224 VanDerWaalsContact O-N 3.17Å
222K93.8Very high96.1Very high152 Ų15226.1 Ų26.166%0.66114%0.144SC*.THydrogen-bonded Turntrans-68.7-18.7-165.9-65.5166.3-168.6151.70115.9D196 G220D196-K222 WeakPolarHBondContact OD1-CD 3.43Å; D196-K222 WeakPolarHBondContact OD1-CG 3.32Å; D196-K222 PolarHBondContact OD1-N 2.81Å; D196-K222 IonicContact OD2-NZ 3.97Å; G220-K222 PolarHBondContact O-N 2.8Å; G220-K222 VanDerWaalsContact O-N 3.14Å
223A95.3Very high95.9Very high43 Ų4320.9 Ų20.936%0.35512%0.123SC..THydrogen-bonded Turntrans-87.4-7.9178.600000113.5D196 L198 C221D196-A223 VanDerWaalsContact O-CB 3.27Å; D196-A223 WeakPolarHBondContact O-CB 3.32Å; L198-A223 CarbonylContact O-C 3.42Å; L198-A223 WeakPolarHBondContact O-CB 3.39Å; C221-A223 VanDerWaalsContact C-N 3.29Å; C221-A223 PolarHBondContact O-N 2.9Å
224L95.9Very high95.7Very high8 Ų823.8 Ų23.84%0.04214%0.141CC..  trans-78.2140.2171.5-73.5174.1000110.9T199 M203 V218 C221 L251T199-L224 WeakPolarHBondContact O-CD2 3.45Å; M203-L224 HydrophobicContact CE-CD1 4.4Å; M203-L224 HydrophobicContact CG-CD1 4.37Å; M203-L224 HydrophobicContact CG-CD2 3.61Å; V218-L224 HydrophobicContact CB-CD1 3.62Å; V218-L224 HydrophobicContact CG1-CD1 3.72Å; V218-L224 HydrophobicContact CG2-CD1 3.92Å; C221-L224 HydrophobicContact CB-CD1 3.7Å; C221-L224 HydrophobicContact CB-CG 4.16Å; C221-L224 PolarHBondContact O-N 3.19Å; C221-L224 VanDerWaalsContact O-N 3.17Å; L224-L251 HydrophobicContact CB-CD2 4.01Å
225T95.2Very high95.4Very high63 Ų6323.8 Ų23.839%0.38714%0.141SC..  trans-119.1172178.682.60000111.2D200 A227 G228 L229D200-T225 PolarHBondContact OD1-N 2.84Å; D200-T225 PolarHBondContact OD1-OG1 2.75Å; D200-T225 PolarHBondContact OD2-OG1 2.73Å; T225-A227 PolarHBondContact O-N 3.38Å; T225-A227 VanDerWaalsContact O-N 3.16Å; T225-A227 WeakPolarHBondContact OG1-CB 3.41Å; T225-A227 PolarHBondContact OG1-N 2.89Å; T225-A227 VanDerWaalsContact OG1-N 3.07Å; T225-G228 PolarHBondContact O-N 2.87Å; T225-L229 PolarHBondContact O-N 3.14Å
226A94.8Very high95.1Very high12 Ų1221.7 Ų21.710%0.09913%0.13CC..Hα-helixtrans-55.2-29.9170.900000112L229 A230 V253 Q257 L258 L261A226-L229 PolarHBondContact O-N 3.31Å; A226-A230 WeakPolarHBondContact O-CB 3.24Å; A226-A230 PolarHBondContact O-N 2.68Å; A226-V253 HydrophobicContact CB-CG1 3.87Å; A226-V253 HydrophobicContact CB-CG2 4.26Å; A226-Q257 HydrophobicContact CB-CB 4.1Å; A226-L258 HydrophobicContact CB-CD2 4.11Å; A226-L258 HydrophobicContact CB-CG 4.33Å; A226-L258 WeakPolarHBondContact O-CD2 3.4Å; A226-L261 VanDerWaalsContact C-CD1 3.47Å; A226-L261 HydrophobicContact CB-CD1 3.86Å; A226-L261 VanDerWaalsContact O-CD1 3.27Å; A226-L261 WeakPolarHBondContact O-CD1 3.4Å
227A94.8Very high94.6Very high37 Ų3725.3 Ų25.331%0.30615%0.153SC..Hα-helixtrans-66.1-41.8-179.900000112.6T225 A230 C231T225-A227 PolarHBondContact O-N 3.38Å; T225-A227 VanDerWaalsContact O-N 3.16Å; T225-A227 WeakPolarHBondContact OG1-CB 3.41Å; T225-A227 PolarHBondContact OG1-N 2.89Å; T225-A227 VanDerWaalsContact OG1-N 3.07Å; A227-A230 PolarHBondContact O-N 3.07Å; A227-C231 PolarHBondContact O-N 3.27Å
228G94.8Very high94.3Very high0 Ų028.3 Ų28.30%018%0.175CC..Hα-helixtrans-63.9-42.1174.900000112.1D200 M203 T225 A230 C231D200-G228 VanDerWaalsContact CG-CA 3.49Å; D200-G228 VanDerWaalsContact CG-N 3.26Å; D200-G228 WeakPolarHBondContact OD1-CA 3.37Å; D200-G228 PolarHBondContact OD1-N 2.97Å; M203-G228 WeakPolarHBondContact CB-O 2.8Å; T225-G228 PolarHBondContact O-N 2.87Å; G228-A230 VanDerWaalsContact C-N 3.34Å; G228-A230 PolarHBondContact O-N 3.17Å; G228-C231 WeakPolarHBondContact O-CB 3.37Å; G228-C231 PolarHBondContact O-N 3.18Å
229L95Very high94.2Very high2 Ų228.7 Ų28.71%0.0118%0.177CC..Hα-helixtrans-68-33.1177.7-64.6172.9000112.5V218 T225 A226 C231 L232 V233 V246 V248 V253 L258V218-L229 HydrophobicContact CG2-CD2 4.29Å; T225-L229 PolarHBondContact O-N 3.14Å; A226-L229 PolarHBondContact O-N 3.31Å; L229-C231 PolarHBondContact O-N 3.38Å; L229-L232 HydrophobicContact CD2-CD1 4.28Å; L229-L232 WeakPolarHBondContact O-CB 3.25Å; L229-L232 PolarHBondContact O-N 3.08Å; L229-V233 PolarHBondContact O-N 3.43Å; L229-V246 HydrophobicContact CD2-CG1 3.96Å; L229-V248 HydrophobicContact CD1-CB 4.43Å; L229-V248 HydrophobicContact CD1-CG1 3.58Å; L229-V248 HydrophobicContact CD2-CG1 4.16Å; L229-V253 HydrophobicContact CD1-CB 4.12Å; L229-V253 HydrophobicContact CD1-CG1 3.75Å; L229-V253 HydrophobicContact CD1-CG2 4.27Å; L229-L258 HydrophobicContact CB-CD2 4.11Å
230A95.3Very high94.1Very high0 Ų032.1 Ų32.10%020%0.197CC..Hα-helixtrans-61.8-29.5173.700000112.6A226 A227 G228 L232 V233 V234 L258 L261 L263 L264A226-A230 WeakPolarHBondContact O-CB 3.24Å; A226-A230 PolarHBondContact O-N 2.68Å; A227-A230 PolarHBondContact O-N 3.07Å; G228-A230 VanDerWaalsContact C-N 3.34Å; G228-A230 PolarHBondContact O-N 3.17Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.22Å; A230-V233 PolarHBondContact O-N 3.37Å; A230-V234 WeakPolarHBondContact O-CG2 3.28Å; A230-V234 PolarHBondContact O-N 3.37Å; A230-L258 HydrophobicContact CB-CD2 4.03Å; A230-L261 HydrophobicContact CB-CD1 3.61Å; A230-L263 HydrophobicContact CB-CD1 4.19Å; A230-L264 HydrophobicContact CB-CD1 4.08Å; A230-L264 HydrophobicContact CB-CG 4.44Å
231C94.9Very high94.1Very high33 Ų3335.5 Ų35.522%0.22321%0.213CC..Hα-helixtrans-60.3-39.6172.7-64.90000111.8S207 A227 G228 L229 V234 S235S207-C231 WeakPolarHBondContact CB-O 3.46Å; S207-C231 WeakPolarHBondContact OG-CB 3.47Å; S207-C231 PolarHBondContact OG-O 3.48Å; A227-C231 PolarHBondContact O-N 3.27Å; G228-C231 WeakPolarHBondContact O-CB 3.37Å; G228-C231 PolarHBondContact O-N 3.18Å; L229-C231 PolarHBondContact O-N 3.38Å; C231-V234 PolarHBondContact O-N 3.21Å; C231-S235 WeakPolarHBondContact O-CB 3.33Å; C231-S235 PolarHBondContact O-N 3.24Å; C231-S235 PolarHBondContact O-OG 3.16Å
232L92.3Very high94.1Very high4 Ų439.4 Ų39.42%0.02123%0.234CC..Hα-helixtrans-63.9-44.6176.4-68.5168.5000110.8M203 S207 L213 V216 L229 A230 S235 L236 V246M203-L232 HydrophobicContact SD-CD1 3.96Å; S207-L232 VanDerWaalsContact OG-CA 3.31Å; S207-L232 WeakPolarHBondContact OG-CA 3.32Å; S207-L232 WeakPolarHBondContact OG-CD2 3.27Å; S207-L232 PolarHBondContact OG-N 3.5Å; L213-L232 HydrophobicContact CD2-CD2 3.88Å; V216-L232 HydrophobicContact CG1-CD1 4.25Å; V216-L232 HydrophobicContact CG2-CD1 4.21Å; L229-L232 HydrophobicContact CD2-CD1 4.28Å; L229-L232 WeakPolarHBondContact O-CB 3.25Å; L229-L232 PolarHBondContact O-N 3.08Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.22Å; L232-S235 PolarHBondContact O-N 2.96Å; L232-S235 PolarHBondContact O-OG 3.3Å; L232-L236 PolarHBondContact O-N 2.92Å; L232-V246 HydrophobicContact CD1-CG2 4.42Å
233V93.4Very high94.3Very high1 Ų135 Ų351%0.00622%0.217CC..Hα-helixtrans-59.5-50.6177.2179.20000111.3L229 A230 S235 L236 L264 W269 I285 V295L229-V233 PolarHBondContact O-N 3.43Å; A230-V233 PolarHBondContact O-N 3.37Å; V233-S235 PolarHBondContact O-N 2.82Å; V233-L236 VanDerWaalsContact O-CB 3.28Å; V233-L236 WeakPolarHBondContact O-CB 3.38Å; V233-L236 WeakPolarHBondContact O-CG 3.35Å; V233-L236 PolarHBondContact O-N 3.26Å; V233-L236 VanDerWaalsContact O-N 3.16Å; V233-L264 HydrophobicContact CB-CD1 4.38Å; V233-L264 HydrophobicContact CB-CD2 4.23Å; V233-L264 HydrophobicContact CG1-CD1 4.13Å; V233-L264 HydrophobicContact CG1-CD2 3.65Å; V233-W269 HydrophobicContact CG1-CE3 4.06Å; V233-W269 HydrophobicContact CG1-CH2 3.81Å; V233-W269 HydrophobicContact CG1-CZ2 4.45Å; V233-W269 HydrophobicContact CG1-CZ3 3.58Å; V233-W269 WeakPolarHBondContact O-CH2 3.44Å; V233-I285 HydrophobicContact CG1-CB 4.35Å; V233-I285 HydrophobicContact CG1-CG2 3.63Å; V233-I285 HydrophobicContact CG2-CD1 4.12Å; V233-V295 HydrophobicContact CG2-CB 4.46Å; V233-V295 HydrophobicContact CG2-CG1 4.4Å; V233-V295 HydrophobicContact CG2-CG2 4.41Å
234V93.5Very high94.4Very high63 Ų6333.1 Ų33.138%0.38220%0.201SC..Hα-helixtrans-65.2-29.7-178.91750000112A230 C231 L236 P237 L263 L264 W269A230-V234 WeakPolarHBondContact O-CG2 3.28Å; A230-V234 PolarHBondContact O-N 3.37Å; C231-V234 PolarHBondContact O-N 3.21Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.28Å; V234-P237 VanDerWaalsContact O-CD 3.29Å; V234-P237 WeakPolarHBondContact O-CD 3.38Å; V234-L263 HydrophobicContact CG2-CB 4.27Å; V234-L264 HydrophobicContact CG2-CD2 3.69Å; V234-W269 HydrophobicContact CG2-CZ2 4.32Å
235S92.8Very high94.4Very high15 Ų1535.3 Ų35.311%0.10521%0.211CC..THydrogen-bonded Turntrans-78.6-2.6177.972.10000115S207 C231 L232 V233 P237 S238 K239S207-S235 WeakPolarHBondContact CB-OG 3.35Å; S207-S235 WeakPolarHBondContact O-CB 3.35Å; C231-S235 WeakPolarHBondContact O-CB 3.33Å; C231-S235 PolarHBondContact O-N 3.24Å; C231-S235 PolarHBondContact O-OG 3.16Å; L232-S235 PolarHBondContact O-N 2.96Å; L232-S235 PolarHBondContact O-OG 3.3Å; V233-S235 PolarHBondContact O-N 2.82Å; S235-P237 VanDerWaalsContact C-N 3.31Å; S235-S238 PolarHBondContact O-N 2.73Å; S235-S238 PolarHBondContact O-OG 2.97Å; S235-K239 WeakPolarHBondContact OG-CE 3.36Å
236L91.4Very high94.5Very high3 Ų332.4 Ų32.42%0.01619%0.193CC..G310 helixtrans-46.6-44.6179.5-90176000114.9L232 V233 V234 S238 K239 V244 W269 V295L232-L236 PolarHBondContact O-N 2.92Å; V233-L236 VanDerWaalsContact O-CB 3.28Å; V233-L236 WeakPolarHBondContact O-CB 3.38Å; V233-L236 WeakPolarHBondContact O-CG 3.35Å; V233-L236 PolarHBondContact O-N 3.26Å; V233-L236 VanDerWaalsContact O-N 3.16Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.28Å; L236-S238 PolarHBondContact O-N 3.31Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.01Å; L236-V244 HydrophobicContact CD2-CB 4.42Å; L236-V244 HydrophobicContact CD2-CG2 3.9Å; L236-W269 HydrophobicContact CD1-CZ3 4.4Å; L236-V295 HydrophobicContact CD1-CB 4.3Å; L236-V295 HydrophobicContact CD1-CG2 3.76Å; L236-V295 HydrophobicContact CD2-CG2 3.68Å; L236-V295 HydrophobicContact CG-CG2 3.69Å
237P88.3Confident94.6Very high81 Ų8134.5 Ų34.553%0.52620%0.2SC..G310 helixtrans-62.4-24-179.9-24.336.1000114.3V234 S235V234-P237 VanDerWaalsContact O-CD 3.29Å; V234-P237 WeakPolarHBondContact O-CD 3.38Å; S235-P237 VanDerWaalsContact C-N 3.31Å
238S91.3Very high94.7Very high70 Ų7032.7 Ų32.749%0.4919%0.185SC..G310 helixtrans-90.2-1.3176.566.30000113.3S235 L236S235-S238 PolarHBondContact O-N 2.73Å; S235-S238 PolarHBondContact O-OG 2.97Å; L236-S238 PolarHBondContact O-N 3.31Å
239K95.1Very high94.6Very high9 Ų933.7 Ų33.74%0.03919%0.192CC..  trans-84.7139177-57.9-49.7-172.7-171.80111.3F206 S207 C210 P211 S235 L236 V244 K293F206-K239 PolarHBondContact O-NZ 3.24Å; S207-K239 PolarHBondContact O-NZ 3.41Å; C210-K239 PolarHBondContact O-NZ 3.04Å; P211-K239 CarbonylContact O-C 3.6Å; P211-K239 WeakPolarHBondContact O-CA 3.33Å; S235-K239 WeakPolarHBondContact OG-CE 3.36Å; L236-K239 WeakPolarHBondContact O-CB 3.27Å; L236-K239 PolarHBondContact O-N 3.01Å; K239-V244 HydrophobicContact CG-CG2 4.34Å; K239-K293 PolarHBondContact O-NZ 2.55Å
240V96.5Very high94.5Very high78 Ų7840 Ų4047%0.47322%0.222SC..SBendtrans-67.7-45.3175.5174.70000109.9P211 Y212 K293P211-V240 HydrophobicContact CB-CG2 4.22Å; P211-V240 PolarHBondContact O-N 2.76Å; Y212-V240 HydrophobicContact CD1-CB 3.98Å; Y212-V240 HydrophobicContact CD1-CG1 4.06Å; Y212-V240 HydrophobicContact CD1-CG2 3.95Å; Y212-V240 HydrophobicContact CE1-CB 4.17Å; Y212-V240 HydrophobicContact CE1-CG1 3.98Å; Y212-V240 HydrophobicContact CE1-CG2 3.82Å; Y212-V240 HydrophobicContact CG-CG2 4.47Å; V240-K293 PolarHBondContact O-NZ 2.81Å
241H95.9Very high94.4Very high71 Ų7140.8 Ų40.833%0.32923%0.226SC..SBendtrans-72146.9178.5-64.5-81.1000111.8Y212 K293Y212-H241 PolarHBondContact O-CD2 3.22Å; Y212-H241 PolarHBondContact O-NE2 3.04Å; H241-K293 VanDerWaalsContact C-NZ 3.3Å; H241-K293 PolarHBondContact O-NZ 3.04Å
242D96.5Very high94.1Very high83 Ų8344 Ų4444%0.44426%0.255SS..SBendtrans-78-28177.2-76-9.6000112.5H292 K293 S294D242-H292 WeakPolarHBondContact CB-O 3.28Å; D242-H292 IonicContact OD1-CD2 3.34Å; D242-K293 CarbonylContact O-C 3.18Å; D242-K293 VanDerWaalsContact O-CA 3.29Å; D242-K293 WeakPolarHBondContact O-CA 3.36Å; D242-K293 VanDerWaalsContact OD1-CE 3.24Å; D242-K293 WeakPolarHBondContact OD1-CE 3.29Å; D242-K293 IonicContact OD1-NZ 2.95Å; D242-K293 PolarHBondContact OD1-NZ 2.84Å; D242-S294 PolarHBondContact O-N 2.84Å
243L96.9Very high94Very high59 Ų5944.1 Ų44.131%0.30926%0.256SS..EExtended strand (participates in β ladder)trans-125.4129-176.9-177.558.9000110.2H245 S294 I296L243-H245 WeakPolarHBondContact CD2-NE2 3.24Å; L243-H245 WeakPolarHBondContact CG-NE2 3.27Å; L243-S294 WeakPolarHBondContact CA-O 3.34Å; L243-S294 WeakPolarHBondContact CD1-OG 3.48Å; L243-I296 HydrophobicContact CD1-CD1 3.72Å; L243-I296 HydrophobicContact CD1-CG1 3.76Å; L243-I296 HydrophobicContact CD2-CD1 4.3Å
244V97Very high93.6Very high3 Ų346.7 Ų46.72%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-116.4122.7172.7-179.20000109S214 L236 K239 V246 S294 V295 I296S214-V244 CarbonylContact O-C 3.55Å; S214-V244 VanDerWaalsContact O-CA 3.3Å; S214-V244 WeakPolarHBondContact O-CA 3.48Å; L236-V244 HydrophobicContact CD2-CB 4.42Å; L236-V244 HydrophobicContact CD2-CG2 3.9Å; K239-V244 HydrophobicContact CG-CG2 4.34Å; V244-V246 HydrophobicContact CG1-CG2 4.09Å; V244-S294 PolarHBondContact N-O 3.14Å; V244-V295 HydrophobicContact CB-CG2 3.9Å; V244-V295 HydrophobicContact CG1-CG2 4.34Å; V244-V295 CarbonylContact O-C 3.29Å; V244-V295 VanDerWaalsContact O-CA 3.24Å; V244-V295 WeakPolarHBondContact O-CA 3.47Å; V244-I296 PolarHBondContact O-N 2.99Å
245H97.6Very high93.2Very high54 Ų5443.9 Ų43.925%0.2525%0.253CS..EExtended strand (participates in β ladder)trans-94.1127.2176.4-64.4-90.1000109.5S214 N215 V216 L243 Y298S214-H245 PolarHBondContact O-N 3.26Å; N215-H245 CarbonylContact C-O 3.57Å; N215-H245 WeakPolarHBondContact CA-O 3.23Å; V216-H245 PolarHBondContact N-O 3.03Å; L243-H245 WeakPolarHBondContact CD2-NE2 3.24Å; L243-H245 WeakPolarHBondContact CG-NE2 3.27Å; H245-Y298 HydrophobicContact CB-CE2 3.89Å; H245-Y298 PolarHBondContact CE1-OH 2.83Å; H245-Y298 VanDerWaalsContact CE1-OH 3.29Å; H245-Y298 AromaticContact ND1-CE2 3.41Å; H245-Y298 WeakPolarHBondContact ND1-CE2 3.44Å; H245-Y298 AromaticContact ND1-CZ 3.53Å; H245-Y298 PolarHBondContact ND1-OH 2.76Å
246V97.1Very high93Very high2 Ų248.4 Ų48.41%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-126.9118.3178.9-173.30000108.9V216 L229 L232 V244 V248 V295 I296 I297 Y298V216-V246 HydrophobicContact CB-CG1 4.33Å; V216-V246 HydrophobicContact CB-CG2 4.34Å; V216-V246 HydrophobicContact CG1-CG1 4.38Å; V216-V246 CarbonylContact O-C 3.48Å; V216-V246 VanDerWaalsContact O-CA 3.23Å; V216-V246 WeakPolarHBondContact O-CA 3.41Å; L229-V246 HydrophobicContact CD2-CG1 3.96Å; L232-V246 HydrophobicContact CD1-CG2 4.42Å; V244-V246 HydrophobicContact CG1-CG2 4.09Å; V246-V248 HydrophobicContact CG1-CG1 3.79Å; V246-V295 HydrophobicContact CB-CG1 4.45Å; V246-V295 HydrophobicContact CG2-CG1 3.76Å; V246-I296 PolarHBondContact N-O 2.77Å; V246-I297 HydrophobicContact CB-CG1 4.29Å; V246-I297 CarbonylContact O-C 3.55Å; V246-I297 VanDerWaalsContact O-CA 3.25Å; V246-I297 WeakPolarHBondContact O-CA 3.49Å; V246-Y298 WeakPolarHBondContact O-CD2 3.35Å; V246-Y298 PolarHBondContact O-N 3.34Å
247K96.6Very high92.9Very high56 Ų5652 Ų5224%0.24329%0.289CS..EExtended strand (participates in β ladder)trans-103.5125.1175.5-176.4171.7163.4-121.40110V216 D217 V218 T219V216-K247 PolarHBondContact O-N 2.85Å; D217-K247 HydrophobicContact CB-CB 4.23Å; D217-K247 IonicContact OD1-NZ 2.99Å; D217-K247 IonicContact OD2-NZ 2.67Å; D217-K247 PolarHBondContact OD2-NZ 2.77Å; V218-K247 PolarHBondContact N-O 3.2Å; T219-K247 WeakPolarHBondContact OG1-CE 3.45Å; T219-K247 PolarHBondContact OG1-NZ 3.16Å
248V95.8Very high93.1Very high0 Ų048.1 Ų48.10%026%0.264CS..  trans-12822.2-172.7-56.80000111.8V218 L229 V246 E250 L251 I297 Y298 V299V218-V248 HydrophobicContact CG2-CG1 4.16Å; L229-V248 HydrophobicContact CD1-CB 4.43Å; L229-V248 HydrophobicContact CD1-CG1 3.58Å; L229-V248 HydrophobicContact CD2-CG1 4.16Å; V246-V248 HydrophobicContact CG1-CG1 3.79Å; V248-E250 PolarHBondContact O-N 2.84Å; V248-L251 HydrophobicContact CB-CB 4.39Å; V248-L251 HydrophobicContact CB-CD2 4.28Å; V248-L251 VanDerWaalsContact O-CB 3.28Å; V248-L251 WeakPolarHBondContact O-CB 3.37Å; V248-L251 PolarHBondContact O-N 2.87Å; V248-I297 HydrophobicContact CB-CG2 4.5Å; V248-I297 HydrophobicContact CG1-CG2 4.04Å; V248-I297 HydrophobicContact CG2-CG2 3.57Å; V248-Y298 WeakPolarHBondContact CG2-O 3.41Å; V248-Y298 PolarHBondContact N-O 3.13Å; V248-V299 HydrophobicContact CG2-CG2 4.15Å
249S93.8Very high93Very high21 Ų2149.7 Ų49.715%0.14726%0.262CS..THydrogen-bonded Turntrans-53.4142.8178.4-58.90000110.7T219 G220 L251 V299T219-S249 CarbonylContact C-O 3.46Å; T219-S249 VanDerWaalsContact CA-O 3.25Å; T219-S249 WeakPolarHBondContact CA-O 3.23Å; T219-S249 WeakPolarHBondContact CG2-O 3.29Å; G220-S249 PolarHBondContact N-O 2.79Å; S249-L251 WeakPolarHBondContact O-CD1 3.25Å; S249-L251 PolarHBondContact O-N 2.94Å; S249-V299 PolarHBondContact OG-OXT 2.67Å
250E93.7Very high92.8Very high134 Ų13452.6 Ų52.663%0.62629%0.288SS*.THydrogen-bonded Turntrans676.9-174.5-50.2177.9-151.700115.5H194 T219 V248H194-E250 IonicContact NE2-OE1 2.9Å; H194-E250 IonicContact NE2-OE2 3.65Å; T219-E250 HydrophobicContact CG2-CG 4.4Å; V248-E250 PolarHBondContact O-N 2.84Å
251L92.3Very high92.5Very high16 Ų1650.9 Ų50.98%0.08428%0.276CS..SBendtrans-97.1146.6163.5-73.760000109V218 G220 L224 V248 S249 V253V218-L251 HydrophobicContact CG2-CD2 4.14Å; V218-L251 VanDerWaalsContact O-CD1 3.25Å; V218-L251 WeakPolarHBondContact O-CD1 3.32Å; G220-L251 VanDerWaalsContact N-CD1 3.33Å; L224-L251 HydrophobicContact CB-CD2 4.01Å; V248-L251 HydrophobicContact CB-CB 4.39Å; V248-L251 HydrophobicContact CB-CD2 4.28Å; V248-L251 VanDerWaalsContact O-CB 3.28Å; V248-L251 WeakPolarHBondContact O-CB 3.37Å; V248-L251 PolarHBondContact O-N 2.87Å; S249-L251 WeakPolarHBondContact O-CD1 3.25Å; S249-L251 PolarHBondContact O-N 2.94Å; L251-V253 HydrophobicContact CB-CB 4.49Å; L251-V253 HydrophobicContact CB-CG2 4.33Å; L251-V253 PolarHBondContact O-N 3.29Å
252A88.5Confident92Very high100 Ų10052.1 Ų52.183%0.82629%0.293SS*.SBendtrans-80.453170.200000110.8
253V89.9Confident91.4Very high8 Ų852.6 Ų52.65%0.04830%0.295CS..  trans-131.8129179-176.20000110.9A226 L229 L251 Q257 L258A226-V253 HydrophobicContact CB-CG1 3.87Å; A226-V253 HydrophobicContact CB-CG2 4.26Å; L229-V253 HydrophobicContact CD1-CB 4.12Å; L229-V253 HydrophobicContact CD1-CG1 3.75Å; L229-V253 HydrophobicContact CD1-CG2 4.27Å; L251-V253 HydrophobicContact CB-CB 4.49Å; L251-V253 HydrophobicContact CB-CG2 4.33Å; L251-V253 PolarHBondContact O-N 3.29Å; V253-Q257 VanDerWaalsContact CA-OE1 3.3Å; V253-L258 HydrophobicContact CG1-CD1 4.34Å; V253-L258 HydrophobicContact CG1-CG 4.22Å
254D86Confident91Very high54 Ų5450 Ų5029%0.28928%0.281SS..  trans-135-177.4174.867.135.3000110.9E256 Q257 L258 V299D254-E256 VanDerWaalsContact C-N 3.29Å; D254-E256 PolarHBondContact O-N 2.79Å; D254-E256 WeakPolarHBondContact OD1-CA 3.27Å; D254-E256 WeakPolarHBondContact OD1-CB 3.5Å; D254-E256 PolarHBondContact OD1-N 2.85Å; D254-Q257 PolarHBondContact OD1-N 3.45Å; D254-Q257 PolarHBondContact OD1-NE2 3.07Å; D254-Q257 VanDerWaalsContact OD1-NE2 3.14Å; D254-Q257 PolarHBondContact OD1-OE1 3.26Å; D254-Q257 PolarHBondContact OD2-NE2 3.43Å; D254-Q257 PolarHBondContact OD2-OE1 3.11Å; D254-L258 PolarHBondContact O-N 3.31Å; D254-V299 HydrophobicContact CB-CG2 4.3Å
255G84Confident90.4Very high4 Ų455.3 Ų55.34%0.04131%0.305CS..Hα-helixtrans-63-29.517900000114.6K259G255-K259 VanDerWaalsContact O-CB 3.29Å; G255-K259 WeakPolarHBondContact O-CB 3.37Å; G255-K259 PolarHBondContact O-N 2.87Å
256E88.1Confident89.9Confident111 Ų11156.7 Ų56.752%0.51932%0.315SS..Hα-helixtrans-75.6-40.6-179.7-67.2-61.8139.200111.4D254 L258 K259 A260D254-E256 VanDerWaalsContact C-N 3.29Å; D254-E256 PolarHBondContact O-N 2.79Å; D254-E256 WeakPolarHBondContact OD1-CA 3.27Å; D254-E256 WeakPolarHBondContact OD1-CB 3.5Å; D254-E256 PolarHBondContact OD1-N 2.85Å; E256-L258 VanDerWaalsContact C-N 3.26Å; E256-L258 PolarHBondContact O-N 3.07Å; E256-K259 PolarHBondContact O-N 3.16Å; E256-A260 PolarHBondContact O-N 2.87Å
257Q90.8Very high89.3Confident78 Ų7863.1 Ų63.136%0.36435%0.349SS..Hα-helixtrans-63.3-36.2173.9-68.896.741.800111.8A226 V253 D254 A260A226-Q257 HydrophobicContact CB-CB 4.1Å; V253-Q257 VanDerWaalsContact CA-OE1 3.3Å; D254-Q257 PolarHBondContact OD1-N 3.45Å; D254-Q257 PolarHBondContact OD1-NE2 3.07Å; D254-Q257 VanDerWaalsContact OD1-NE2 3.14Å; D254-Q257 PolarHBondContact OD1-OE1 3.26Å; D254-Q257 PolarHBondContact OD2-NE2 3.43Å; D254-Q257 PolarHBondContact OD2-OE1 3.11Å; Q257-A260 PolarHBondContact O-N 3.22Å
258L91.4Very high89.2Confident0 Ų061.3 Ų61.30%034%0.342CS..Hα-helixtrans-67.9-43.6175-75.7164.3000112.3A226 L229 A230 V253 D254 E256 A260 L261 L264 F271 I285 I297A226-L258 HydrophobicContact CB-CD2 4.11Å; A226-L258 HydrophobicContact CB-CG 4.33Å; A226-L258 WeakPolarHBondContact O-CD2 3.4Å; L229-L258 HydrophobicContact CB-CD2 4.11Å; A230-L258 HydrophobicContact CB-CD2 4.03Å; V253-L258 HydrophobicContact CG1-CD1 4.34Å; V253-L258 HydrophobicContact CG1-CG 4.22Å; D254-L258 PolarHBondContact O-N 3.31Å; E256-L258 VanDerWaalsContact C-N 3.26Å; E256-L258 PolarHBondContact O-N 3.07Å; L258-A260 PolarHBondContact O-N 2.99Å; L258-L261 HydrophobicContact CD2-CD1 4.08Å; L258-L261 WeakPolarHBondContact O-CB 3.18Å; L258-L261 PolarHBondContact O-N 3.47Å; L258-L261 VanDerWaalsContact O-N 3.08Å; L258-L264 HydrophobicContact CB-CD1 4.21Å; L258-L264 HydrophobicContact CD2-CD1 4.44Å; L258-F271 HydrophobicContact CB-CE1 4.03Å; L258-I285 HydrophobicContact CB-CD1 4.48Å; L258-I285 HydrophobicContact CD1-CD1 3.87Å; L258-I297 HydrophobicContact CD1-CD1 3.07Å
259K89.9Confident89.1Confident103 Ų10362.2 Ų62.245%0.44835%0.345SS..Hα-helixtrans-60.8-29.7177.7-173.5179.1177.1-172.10113G255 E256 L261 H265 F271G255-K259 VanDerWaalsContact O-CB 3.29Å; G255-K259 WeakPolarHBondContact O-CB 3.37Å; G255-K259 PolarHBondContact O-N 2.87Å; E256-K259 PolarHBondContact O-N 3.16Å; K259-L261 VanDerWaalsContact C-N 3.25Å; K259-L261 PolarHBondContact O-N 3.43Å; K259-H265 PolarHBondContact O-CD2 2.77Å; K259-F271 HydrophobicContact CB-CD1 4.04Å; K259-F271 HydrophobicContact CB-CD2 4.25Å; K259-F271 HydrophobicContact CB-CE1 3.83Å; K259-F271 HydrophobicContact CB-CE2 4.05Å; K259-F271 HydrophobicContact CB-CG 4.26Å; K259-F271 HydrophobicContact CB-CZ 3.84Å; K259-F271 HydrophobicContact CD-CD2 4.22Å; K259-F271 HydrophobicContact CD-CG 4.32Å; K259-F271 HydrophobicContact CG-CD2 3.99Å; K259-F271 HydrophobicContact CG-CE2 3.94Å; K259-F271 HydrophobicContact CG-CG 4.35Å; K259-F271 HydrophobicContact CG-CZ 4.24Å
260A89.7Confident89.2Confident70 Ų7062.3 Ų62.358%0.57935%0.345SS*.THydrogen-bonded Turntrans-77.5-2.8177.300000114.5E256 Q257 L258 H265E256-A260 PolarHBondContact O-N 2.87Å; Q257-A260 PolarHBondContact O-N 3.22Å; L258-A260 PolarHBondContact O-N 2.99Å; A260-H265 VanDerWaalsContact C-NE2 3.3Å; A260-H265 PolarHBondContact O-NE2 2.87Å; A260-H265 VanDerWaalsContact O-NE2 3.09Å
261L91.5Very high89.3Confident42 Ų4257.8 Ų57.822%0.2232%0.323CS..SBendtrans-85.4137.4179.6-66.2171.2000111.5A226 A230 L258 K259 L263 L264 H265A226-L261 VanDerWaalsContact C-CD1 3.47Å; A226-L261 HydrophobicContact CB-CD1 3.86Å; A226-L261 VanDerWaalsContact O-CD1 3.27Å; A226-L261 WeakPolarHBondContact O-CD1 3.4Å; A230-L261 HydrophobicContact CB-CD1 3.61Å; L258-L261 HydrophobicContact CD2-CD1 4.08Å; L258-L261 WeakPolarHBondContact O-CB 3.18Å; L258-L261 PolarHBondContact O-N 3.47Å; L258-L261 VanDerWaalsContact O-N 3.08Å; K259-L261 VanDerWaalsContact C-N 3.25Å; K259-L261 PolarHBondContact O-N 3.43Å; L261-L263 PolarHBondContact O-N 3.38Å; L261-L263 VanDerWaalsContact O-N 3.07Å; L261-L264 CarbonylContact O-C 3.58Å; L261-L264 PolarHBondContact O-N 2.96Å; L261-H265 PolarHBondContact O-CD2 3.08Å; L261-H265 PolarHBondContact O-N 2.9Å
262S85.2Confident89.4Confident97 Ų9760.2 Ų60.268%0.67834%0.338SS*.G310 helixtrans-56.1-29.3177.958.30000114.2L264 H265S262-L264 PolarHBondContact O-N 2.99Å; S262-H265 PolarHBondContact O-N 3.03Å
263L84.7Confident89.7Confident93 Ų9359.2 Ų59.249%0.48733%0.326SS..G310 helixtrans-63.3-22.6175.9-69.5169.7000113.2A230 V234 L261A230-L263 HydrophobicContact CB-CD1 4.19Å; V234-L263 HydrophobicContact CG2-CB 4.27Å; L261-L263 PolarHBondContact O-N 3.38Å; L261-L263 VanDerWaalsContact O-N 3.07Å
264L88.2Confident89.9Confident4 Ų462.5 Ų62.52%0.02134%0.339CS..G310 helixtrans-120.814.6-175.4-57.7177.8000112.5A230 V233 V234 L258 L261 S262 D266 W269 F271A230-L264 HydrophobicContact CB-CD1 4.08Å; A230-L264 HydrophobicContact CB-CG 4.44Å; V233-L264 HydrophobicContact CB-CD1 4.38Å; V233-L264 HydrophobicContact CB-CD2 4.23Å; V233-L264 HydrophobicContact CG1-CD1 4.13Å; V233-L264 HydrophobicContact CG1-CD2 3.65Å; V234-L264 HydrophobicContact CG2-CD2 3.69Å; L258-L264 HydrophobicContact CB-CD1 4.21Å; L258-L264 HydrophobicContact CD2-CD1 4.44Å; L261-L264 CarbonylContact O-C 3.58Å; L261-L264 PolarHBondContact O-N 2.96Å; S262-L264 PolarHBondContact O-N 2.99Å; L264-D266 VanDerWaalsContact C-N 3.29Å; L264-D266 PolarHBondContact O-N 3.12Å; L264-W269 HydrophobicContact CB-CG 4.46Å; L264-W269 HydrophobicContact CD2-CD2 3.89Å; L264-W269 HydrophobicContact CD2-CE3 4.47Å; L264-W269 HydrophobicContact CD2-CG 4.24Å; L264-W269 HydrophobicContact CD2-CH2 4.43Å; L264-W269 HydrophobicContact CD2-CZ2 3.84Å; L264-F271 HydrophobicContact CB-CZ 4.06Å; L264-F271 HydrophobicContact CD1-CE1 4.43Å; L264-F271 HydrophobicContact CD1-CZ 3.96Å
265H83.5Confident90.3Very high115 Ų11566.6 Ų66.653%0.53236%0.357SS..  trans-77.1-7.6179.1-79.5179.3000114.7K259 A260 L261 S262 D267K259-H265 PolarHBondContact O-CD2 2.77Å; A260-H265 VanDerWaalsContact C-NE2 3.3Å; A260-H265 PolarHBondContact O-NE2 2.87Å; A260-H265 VanDerWaalsContact O-NE2 3.09Å; L261-H265 PolarHBondContact O-CD2 3.08Å; L261-H265 PolarHBondContact O-N 2.9Å; S262-H265 PolarHBondContact O-N 3.03Å; H265-D267 PolarHBondContact O-N 2.85Å
266D86.8Confident90.6Very high83 Ų8369.2 Ų69.244%0.44437%0.369SS..SBendtrans-62130.7172.1-178.7-3.6000109.4L264 D268 W269 R287L264-D266 VanDerWaalsContact C-N 3.29Å; L264-D266 PolarHBondContact O-N 3.12Å; D266-D268 PolarHBondContact O-N 3.04Å; D266-D268 PolarHBondContact OD1-N 2.81Å; D266-D268 VanDerWaalsContact OD1-N 3.08Å; D266-W269 PolarHBondContact O-N 3.27Å; D266-R287 IonicContact OD2-CZ 3.89Å; D266-R287 IonicContact OD2-NH2 2.73Å; D266-R287 PolarHBondContact OD2-NH2 3.41Å
267D85.9Confident90.6Very high136 Ų13667.6 Ų67.673%0.72738%0.375SS*.THydrogen-bonded Turntrans-56.5-20.6179.3-77.4-35.9000112.3H265 W269 R288H265-D267 PolarHBondContact O-N 2.85Å; D267-W269 PolarHBondContact O-N 2.8Å; D267-R288 PolarHBondContact O-NH1 2.96Å; D267-R288 PolarHBondContact O-NH2 2.87Å; D267-R288 VanDerWaalsContact O-NH2 3.08Å
268D93.6Very high90.5Very high19 Ų1972 Ų7210%0.10240%0.4CS..THydrogen-bonded Turntrans-66.2-21.4177.1-167.528.8000114.1D266 R287 R288 T289D266-D268 PolarHBondContact O-N 3.04Å; D266-D268 PolarHBondContact OD1-N 2.81Å; D266-D268 VanDerWaalsContact OD1-N 3.08Å; D268-R287 CarbonylContact O-C 3.56Å; D268-R287 WeakPolarHBondContact O-CA 3.24Å; D268-R287 IonicContact OD2-CZ 3.51Å; D268-R287 IonicContact OD2-NE 3.43Å; D268-R287 PolarHBondContact OD2-NE 2.96Å; D268-R287 IonicContact OD2-NH2 3.66Å; D268-R287 PolarHBondContact OD2-NH2 2.98Å; D268-R288 PolarHBondContact O-N 3.32Å; D268-R288 WeakPolarHBondContact OD1-CA 3.46Å; D268-R288 VanDerWaalsContact OD1-CB 3.24Å; D268-R288 WeakPolarHBondContact OD1-CB 3.28Å; D268-R288 PolarHBondContact OD1-N 3.15Å; D268-T289 PolarHBondContact OD1-N 2.76Å; D268-T289 VanDerWaalsContact OD1-N 3.12Å; D268-T289 PolarHBondContact OD2-OG1 2.63Å; D268-T289 VanDerWaalsContact OD2-OG1 3.13Å
269W94.3Very high90.2Very high19 Ų1975.3 Ų75.37%0.07243%0.434CS..EExtended strand (participates in β ladder)trans-74.4133.3175.6-68.6108000111.8V233 V234 L236 L264 D266 D267 F271 I285 R287V233-W269 HydrophobicContact CG1-CE3 4.06Å; V233-W269 HydrophobicContact CG1-CH2 3.81Å; V233-W269 HydrophobicContact CG1-CZ2 4.45Å; V233-W269 HydrophobicContact CG1-CZ3 3.58Å; V233-W269 WeakPolarHBondContact O-CH2 3.44Å; V234-W269 HydrophobicContact CG2-CZ2 4.32Å; L236-W269 HydrophobicContact CD1-CZ3 4.4Å; L264-W269 HydrophobicContact CB-CG 4.46Å; L264-W269 HydrophobicContact CD2-CD2 3.89Å; L264-W269 HydrophobicContact CD2-CE3 4.47Å; L264-W269 HydrophobicContact CD2-CG 4.24Å; L264-W269 HydrophobicContact CD2-CH2 4.43Å; L264-W269 HydrophobicContact CD2-CZ2 3.84Å; D266-W269 PolarHBondContact O-N 3.27Å; D267-W269 PolarHBondContact O-N 2.8Å; W269-F271 HydrophobicContact CB-CD2 4.46Å; W269-F271 HydrophobicContact CB-CE2 3.76Å; W269-I285 HydrophobicContact CE3-CG2 3.97Å; W269-I285 HydrophobicContact CZ3-CG2 4.41Å; W269-R287 HydrophobicContact CD2-CG 3.92Å; W269-R287 HydrophobicContact CE3-CG 3.63Å; W269-R287 HydrophobicContact CH2-CG 3.57Å; W269-R287 HydrophobicContact CZ2-CG 3.85Å; W269-R287 HydrophobicContact CZ3-CG 3.45Å; W269-R287 VanDerWaalsContact CZ3-CG 3.45Å
270V94.7Very high90Very high23 Ų2377.5 Ų77.514%0.13944%0.44CS..EExtended strand (participates in β ladder)trans-115.5133.1175.3-172.40000109.1V272 I285 Y286 R288V270-V272 HydrophobicContact CG1-CG2 3.92Å; V270-I285 VanDerWaalsContact O-CA 3.29Å; V270-I285 WeakPolarHBondContact O-CA 3.47Å; V270-Y286 HydrophobicContact CB-CD1 4.27Å; V270-Y286 HydrophobicContact CB-CD2 4.2Å; V270-Y286 HydrophobicContact CB-CE1 3.88Å; V270-Y286 HydrophobicContact CB-CE2 3.8Å; V270-Y286 HydrophobicContact CB-CG 4.43Å; V270-Y286 HydrophobicContact CG1-CE1 3.85Å; V270-Y286 HydrophobicContact CG1-CE2 4.24Å; V270-Y286 WeakPolarHBondContact CG1-OH 3.25Å; V270-Y286 HydrophobicContact CG2-CD2 4.35Å; V270-Y286 HydrophobicContact CG2-CE2 3.84Å; V270-Y286 PolarHBondContact N-O 3.29Å; V270-Y286 PolarHBondContact O-N 2.92Å; V270-Y286 VanDerWaalsContact O-N 3.15Å; V270-R288 HydrophobicContact CG2-CG 3.32Å
271F95.3Very high90.2Very high39 Ų3976.1 Ų76.117%0.17143%0.426CS..EExtended strand (participates in β ladder)trans-118.8121.5176.7-66.4-105.3000108.3L258 K259 L264 W269 C284 I285L258-F271 HydrophobicContact CB-CE1 4.03Å; K259-F271 HydrophobicContact CB-CD1 4.04Å; K259-F271 HydrophobicContact CB-CD2 4.25Å; K259-F271 HydrophobicContact CB-CE1 3.83Å; K259-F271 HydrophobicContact CB-CE2 4.05Å; K259-F271 HydrophobicContact CB-CG 4.26Å; K259-F271 HydrophobicContact CB-CZ 3.84Å; K259-F271 HydrophobicContact CD-CD2 4.22Å; K259-F271 HydrophobicContact CD-CG 4.32Å; K259-F271 HydrophobicContact CG-CD2 3.99Å; K259-F271 HydrophobicContact CG-CE2 3.94Å; K259-F271 HydrophobicContact CG-CG 4.35Å; K259-F271 HydrophobicContact CG-CZ 4.24Å; L264-F271 HydrophobicContact CB-CZ 4.06Å; L264-F271 HydrophobicContact CD1-CE1 4.43Å; L264-F271 HydrophobicContact CD1-CZ 3.96Å; W269-F271 HydrophobicContact CB-CD2 4.46Å; W269-F271 HydrophobicContact CB-CE2 3.76Å; F271-C284 WeakPolarHBondContact CA-O 3.38Å; F271-I285 HydrophobicContact CD1-CD1 3.86Å; F271-I285 HydrophobicContact CD1-CG1 3.68Å; F271-I285 HydrophobicContact CD1-CG2 4.21Å; F271-I285 HydrophobicContact CE1-CD1 3.6Å; F271-I285 HydrophobicContact CE1-CG1 3.86Å; F271-I285 HydrophobicContact CE1-CG2 3.92Å; F271-I285 HydrophobicContact CE2-CG2 4.4Å; F271-I285 HydrophobicContact CG-CG1 4.47Å; F271-I285 HydrophobicContact CZ-CG2 4.01Å
272V95Very high90.3Very high66 Ų6674.3 Ų74.340%0.442%0.416SS..EExtended strand (participates in β ladder)trans-124.4102.4179.2-174.10000108.7V270 F274 C283 C284 Y286V270-V272 HydrophobicContact CG1-CG2 3.92Å; V272-F274 WeakPolarHBondContact O-CD1 3.29Å; V272-C283 WeakPolarHBondContact O-CA 3.26Å; V272-C284 HydrophobicContact CB-CB 4.4Å; V272-C284 PolarHBondContact N-O 3.09Å; V272-C284 PolarHBondContact O-N 3.39Å; V272-Y286 HydrophobicContact CG2-CE1 4.06Å
273S94.5Very high90.8Very high80 Ų8069.8 Ų69.856%0.55939%0.385SS*.EExtended strand (participates in β ladder)trans-83.8135.9174.6-57.90000110.7A282S273-A282 CarbonylContact C-O 3.48Å; S273-A282 WeakPolarHBondContact CA-O 3.06Å
274F95.1Very high91.3Very high76 Ų7666.4 Ų66.433%0.33337%0.369SS..EExtended strand (participates in β ladder)trans-144.7155.9178.458-85000111.5V272 I276 S281 A282 C284 I296V272-F274 WeakPolarHBondContact O-CD1 3.29Å; F274-I276 HydrophobicContact CD2-CG1 4.09Å; F274-I276 HydrophobicContact CE2-CD1 4.08Å; F274-I276 HydrophobicContact CE2-CG1 3.89Å; F274-S281 WeakPolarHBondContact O-CA 3.5Å; F274-A282 HydrophobicContact CD2-CB 4.41Å; F274-A282 HydrophobicContact CE1-CB 4.07Å; F274-A282 HydrophobicContact CE2-CB 3.78Å; F274-A282 HydrophobicContact CZ-CB 3.58Å; F274-A282 PolarHBondContact N-O 3.26Å; F274-A282 PolarHBondContact O-N 3.07Å; F274-C284 HydrophobicContact CE1-CB 3.93Å; F274-I296 HydrophobicContact CZ-CG2 4Å
275Q93.7Very high91.7Very high140 Ų14066.2 Ų66.265%0.65437%0.368SS*.EExtended strand (participates in β ladder)trans-89144.2176.4-66-66.6-5100110.3R280Q275-R280 PolarHBondContact OE1-O 3.4Å
276I90.1Very high92.2Very high60 Ų6063.6 Ų63.631%0.30835%0.354SS..EExtended strand (participates in β ladder)trans-113.3163.8173.1-58.1171.2000107.6F274 R280 A282 Y298F274-I276 HydrophobicContact CD2-CG1 4.09Å; F274-I276 HydrophobicContact CE2-CD1 4.08Å; F274-I276 HydrophobicContact CE2-CG1 3.89Å; I276-R280 HydrophobicContact CB-CB 4.29Å; I276-R280 PolarHBondContact N-O 3.5Å; I276-A282 HydrophobicContact CD1-CB 3.51Å; I276-A282 HydrophobicContact CG1-CB 4.33Å; I276-Y298 HydrophobicContact CD1-CD1 3.57Å; I276-Y298 HydrophobicContact CD1-CE1 3.69Å
277A88.7Confident92.5Very high77 Ų7763.1 Ų63.164%0.63635%0.346SS*.G310 helixtrans-50.1153.8174.700000112.7G279A277-G279 VanDerWaalsContact C-N 3.28Å; A277-G279 PolarHBondContact O-N 3.42Å
278L88.2Confident92.9Very high171 Ų17163.9 Ų63.990%0.89534%0.338SS*.G310 helixtrans63.328.1179.1-51.3173.8000114.3R280L278-R280 VanDerWaalsContact C-N 3.25Å; L278-R280 PolarHBondContact O-N 3.08Å
279G85Confident92.8Very high69 Ų6967.8 Ų67.871%0.71136%0.363SS*.G310 helixtrans72.316.8174.900000114.3A277A277-G279 VanDerWaalsContact C-N 3.28Å; A277-G279 PolarHBondContact O-N 3.42Å
280R87.1Confident92.7Very high149 Ų14968.8 Ų68.856%0.56237%0.371SS*.EExtended strand (participates in β ladder)trans-83.7158173.7-65.2-172.4177.2-175.7-1.7110.4Q275 I276 L278Q275-R280 PolarHBondContact OE1-O 3.4Å; I276-R280 HydrophobicContact CB-CB 4.29Å; I276-R280 PolarHBondContact N-O 3.5Å; L278-R280 VanDerWaalsContact C-N 3.25Å; L278-R280 PolarHBondContact O-N 3.08Å
281S92.3Very high92.6Very high41 Ų4171.4 Ų71.429%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-128.1157.5178.270.10000111.5F274 V299F274-S281 WeakPolarHBondContact O-CA 3.5Å; S281-V299 PolarHBondContact O-N 3.4Å
282A94.9Very high92.5Very high3 Ų374.8 Ų74.83%0.02541%0.405CS..EExtended strand (participates in β ladder)trans-142.3158.7170.500000111.5S273 F274 I276 I296 I297 Y298S273-A282 CarbonylContact C-O 3.48Å; S273-A282 WeakPolarHBondContact CA-O 3.06Å; F274-A282 HydrophobicContact CD2-CB 4.41Å; F274-A282 HydrophobicContact CE1-CB 4.07Å; F274-A282 HydrophobicContact CE2-CB 3.78Å; F274-A282 HydrophobicContact CZ-CB 3.58Å; F274-A282 PolarHBondContact N-O 3.26Å; F274-A282 PolarHBondContact O-N 3.07Å; I276-A282 HydrophobicContact CD1-CB 3.51Å; I276-A282 HydrophobicContact CG1-CB 4.33Å; A282-I296 HydrophobicContact CB-CG2 3.93Å; A282-I297 CarbonylContact C-O 3.59Å; A282-I297 WeakPolarHBondContact CA-O 3.42Å; A282-I297 VanDerWaalsContact CB-O 3.26Å; A282-I297 WeakPolarHBondContact CB-O 3.49Å; A282-Y298 HydrophobicContact CB-CD1 4.07Å; A282-Y298 HydrophobicContact CB-CE1 4.44Å
283C95.2Very high92.5Very high3 Ų372.8 Ų72.82%0.0239%0.391CS..EExtended strand (participates in β ladder)trans-122.7120.9173.7-167.90000109.6V272 I296 I297V272-C283 WeakPolarHBondContact O-CA 3.26Å; C283-I296 WeakPolarHBondContact O-CA 3.25Å; C283-I297 PolarHBondContact N-O 2.77Å; C283-I297 PolarHBondContact O-N 3.29Å
284C95.7Very high92.6Very high22 Ų2269.9 Ų69.915%0.14937%0.37CS..EExtended strand (participates in β ladder)trans-89.2127.9170-179.70000109.5F271 V272 F274 V295 I296F271-C284 WeakPolarHBondContact CA-O 3.38Å; V272-C284 HydrophobicContact CB-CB 4.4Å; V272-C284 PolarHBondContact N-O 3.09Å; V272-C284 PolarHBondContact O-N 3.39Å; F274-C284 HydrophobicContact CE1-CB 3.93Å; C284-V295 CarbonylContact C-O 3.53Å; C284-V295 WeakPolarHBondContact CA-O 3.35Å; C284-I296 HydrophobicContact CB-CG1 4.24Å
285I95.2Very high92.6Very high0 Ų066.3 Ų66.30%036%0.355CS..EExtended strand (participates in β ladder)trans-123.9128.1-178.3-48.8172.3000109.4V233 L258 W269 V270 F271 S294 V295 I297V233-I285 HydrophobicContact CG1-CB 4.35Å; V233-I285 HydrophobicContact CG1-CG2 3.63Å; V233-I285 HydrophobicContact CG2-CD1 4.12Å; L258-I285 HydrophobicContact CB-CD1 4.48Å; L258-I285 HydrophobicContact CD1-CD1 3.87Å; W269-I285 HydrophobicContact CE3-CG2 3.97Å; W269-I285 HydrophobicContact CZ3-CG2 4.41Å; V270-I285 VanDerWaalsContact O-CA 3.29Å; V270-I285 WeakPolarHBondContact O-CA 3.47Å; F271-I285 HydrophobicContact CD1-CD1 3.86Å; F271-I285 HydrophobicContact CD1-CG1 3.68Å; F271-I285 HydrophobicContact CD1-CG2 4.21Å; F271-I285 HydrophobicContact CE1-CD1 3.6Å; F271-I285 HydrophobicContact CE1-CG1 3.86Å; F271-I285 HydrophobicContact CE1-CG2 3.92Å; F271-I285 HydrophobicContact CE2-CG2 4.4Å; F271-I285 HydrophobicContact CG-CG1 4.47Å; F271-I285 HydrophobicContact CZ-CG2 4.01Å; I285-S294 CarbonylContact O-C 3.55Å; I285-S294 WeakPolarHBondContact O-CA 3.35Å; I285-V295 PolarHBondContact N-O 3.36Å; I285-V295 PolarHBondContact O-N 2.89Å; I285-I297 HydrophobicContact CD1-CD1 3.61Å; I285-I297 HydrophobicContact CD1-CG1 4.29Å
286Y95.1Very high92.7Very high59 Ų5960.8 Ų60.823%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-155.3165.4179.261.5-86.2000111.7V270 V272 P291 K293V270-Y286 HydrophobicContact CB-CD1 4.27Å; V270-Y286 HydrophobicContact CB-CD2 4.2Å; V270-Y286 HydrophobicContact CB-CE1 3.88Å; V270-Y286 HydrophobicContact CB-CE2 3.8Å; V270-Y286 HydrophobicContact CB-CG 4.43Å; V270-Y286 HydrophobicContact CG1-CE1 3.85Å; V270-Y286 HydrophobicContact CG1-CE2 4.24Å; V270-Y286 WeakPolarHBondContact CG1-OH 3.25Å; V270-Y286 HydrophobicContact CG2-CD2 4.35Å; V270-Y286 HydrophobicContact CG2-CE2 3.84Å; V270-Y286 PolarHBondContact N-O 3.29Å; V270-Y286 PolarHBondContact O-N 2.92Å; V270-Y286 VanDerWaalsContact O-N 3.15Å; V272-Y286 HydrophobicContact CG2-CE1 4.06Å; Y286-P291 HydrophobicContact CD2-CB 3.93Å; Y286-P291 HydrophobicContact CE2-CB 4.05Å; Y286-K293 VanDerWaalsContact CB-O 3.27Å; Y286-K293 WeakPolarHBondContact CB-O 3.49Å
287R94Very high92.9Very high74 Ų7458 Ų5828%0.27932%0.315SS..EExtended strand (participates in β ladder)trans-90.5138.9171.5-67.2-170.869.5139.617.4110.6D266 D268 W269 T289 V290 P291D266-R287 IonicContact OD2-CZ 3.89Å; D266-R287 IonicContact OD2-NH2 2.73Å; D266-R287 PolarHBondContact OD2-NH2 3.41Å; D268-R287 CarbonylContact O-C 3.56Å; D268-R287 WeakPolarHBondContact O-CA 3.24Å; D268-R287 IonicContact OD2-CZ 3.51Å; D268-R287 IonicContact OD2-NE 3.43Å; D268-R287 PolarHBondContact OD2-NE 2.96Å; D268-R287 IonicContact OD2-NH2 3.66Å; D268-R287 PolarHBondContact OD2-NH2 2.98Å; W269-R287 HydrophobicContact CD2-CG 3.92Å; W269-R287 HydrophobicContact CE3-CG 3.63Å; W269-R287 HydrophobicContact CH2-CG 3.57Å; W269-R287 HydrophobicContact CZ2-CG 3.85Å; W269-R287 HydrophobicContact CZ3-CG 3.45Å; W269-R287 VanDerWaalsContact CZ3-CG 3.45Å; R287-T289 PolarHBondContact O-N 3.38Å; R287-V290 CarbonylContact O-C 3.56Å; R287-V290 PolarHBondContact O-N 2.99Å; R287-P291 WeakPolarHBondContact O-CA 3.4Å
288R93.7Very high93.2Very high151 Ų15157.6 Ų57.657%0.5730%0.298SS*.THydrogen-bonded Turntrans-61.5-31.3175.1-60.5-171.1-171.1105.417.7111.9D267 D268 V270 V290 P291D267-R288 PolarHBondContact O-NH1 2.96Å; D267-R288 PolarHBondContact O-NH2 2.87Å; D267-R288 VanDerWaalsContact O-NH2 3.08Å; D268-R288 PolarHBondContact O-N 3.32Å; D268-R288 WeakPolarHBondContact OD1-CA 3.46Å; D268-R288 VanDerWaalsContact OD1-CB 3.24Å; D268-R288 WeakPolarHBondContact OD1-CB 3.28Å; D268-R288 PolarHBondContact OD1-N 3.15Å; V270-R288 HydrophobicContact CG2-CG 3.32Å; R288-V290 VanDerWaalsContact C-N 3.28Å; R288-V290 PolarHBondContact O-N 3.08Å; R288-P291 WeakPolarHBondContact O-CD 3.48Å
289T92Very high93.3Very high101 Ų10152.2 Ų52.262%0.6227%0.271SS*.THydrogen-bonded Turntrans-69.5-23.317658.80000113.8D268 R287D268-T289 PolarHBondContact OD1-N 2.76Å; D268-T289 VanDerWaalsContact OD1-N 3.12Å; D268-T289 PolarHBondContact OD2-OG1 2.63Å; D268-T289 VanDerWaalsContact OD2-OG1 3.13Å; R287-T289 PolarHBondContact O-N 3.38Å
290V92Very high93.7Very high41 Ų4151.4 Ų51.425%0.24825%0.249CC..EExtended strand (participates in β ladder)trans-140.263.7-176.6-164.20000110.2R287 R288 H292 K293R287-V290 CarbonylContact O-C 3.56Å; R287-V290 PolarHBondContact O-N 2.99Å; R288-V290 VanDerWaalsContact C-N 3.28Å; R288-V290 PolarHBondContact O-N 3.08Å; V290-H292 WeakPolarHBondContact CG1-CE1 3.38Å; V290-H292 PolarHBondContact O-N 2.85Å; V290-H292 VanDerWaalsContact O-N 3.16Å; V290-K293 HydrophobicContact CG1-CB 3.91Å; V290-K293 HydrophobicContact CG1-CG 3.58Å; V290-K293 PolarHBondContact O-N 2.9Å; V290-K293 VanDerWaalsContact O-N 3.07Å
291P91.7Very high94Very high77 Ų7746.2 Ų46.250%0.523%0.233SC..EExtended strand (participates in β ladder)trans-71.4-15.2-168.229.4-36000113.9Y286 R287 R288 K293Y286-P291 HydrophobicContact CD2-CB 3.93Å; Y286-P291 HydrophobicContact CE2-CB 4.05Å; R287-P291 WeakPolarHBondContact O-CA 3.4Å; R288-P291 WeakPolarHBondContact O-CD 3.48Å; P291-K293 VanDerWaalsContact C-N 3.3Å
292H93.3Very high94.1Very high110 Ų11046.5 Ų46.551%0.50923%0.23SC..EExtended strand (participates in β ladder)trans-74.5-22.1174.364.5-86.3000112.4D242 V290D242-H292 WeakPolarHBondContact CB-O 3.28Å; D242-H292 IonicContact OD1-CD2 3.34Å; V290-H292 WeakPolarHBondContact CG1-CE1 3.38Å; V290-H292 PolarHBondContact O-N 2.85Å; V290-H292 VanDerWaalsContact O-N 3.16Å
293K95Very high94.1Very high25 Ų2549.1 Ų49.111%0.10924%0.242CC..EExtended strand (participates in β ladder)trans-90.5113.8173.2-67.7-73.5175.8-159.80108.9K239 V240 H241 D242 Y286 V290 P291K239-K293 PolarHBondContact O-NZ 2.55Å; V240-K293 PolarHBondContact O-NZ 2.81Å; H241-K293 VanDerWaalsContact C-NZ 3.3Å; H241-K293 PolarHBondContact O-NZ 3.04Å; D242-K293 CarbonylContact O-C 3.18Å; D242-K293 VanDerWaalsContact O-CA 3.29Å; D242-K293 WeakPolarHBondContact O-CA 3.36Å; D242-K293 VanDerWaalsContact OD1-CE 3.24Å; D242-K293 WeakPolarHBondContact OD1-CE 3.29Å; D242-K293 IonicContact OD1-NZ 2.95Å; D242-K293 PolarHBondContact OD1-NZ 2.84Å; Y286-K293 VanDerWaalsContact CB-O 3.27Å; Y286-K293 WeakPolarHBondContact CB-O 3.49Å; V290-K293 HydrophobicContact CG1-CB 3.91Å; V290-K293 HydrophobicContact CG1-CG 3.58Å; V290-K293 PolarHBondContact O-N 2.9Å; V290-K293 VanDerWaalsContact O-N 3.07Å; P291-K293 VanDerWaalsContact C-N 3.3Å
294S95.9Very high94Very high18 Ų1851.9 Ų51.913%0.12626%0.256CS..EExtended strand (participates in β ladder)trans-142.5150.7-176.159.40000113.3D242 L243 V244 I285D242-S294 PolarHBondContact O-N 2.84Å; L243-S294 WeakPolarHBondContact CA-O 3.34Å; L243-S294 WeakPolarHBondContact CD1-OG 3.48Å; V244-S294 PolarHBondContact N-O 3.14Å; I285-S294 CarbonylContact O-C 3.55Å; I285-S294 WeakPolarHBondContact O-CA 3.35Å
295V95.5Very high93.9Very high1 Ų153.9 Ų53.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-108.4132.6167.7165.40000108V233 L236 V244 V246 C284 I285 I297V233-V295 HydrophobicContact CG2-CB 4.46Å; V233-V295 HydrophobicContact CG2-CG1 4.4Å; V233-V295 HydrophobicContact CG2-CG2 4.41Å; L236-V295 HydrophobicContact CD1-CB 4.3Å; L236-V295 HydrophobicContact CD1-CG2 3.76Å; L236-V295 HydrophobicContact CD2-CG2 3.68Å; L236-V295 HydrophobicContact CG-CG2 3.69Å; V244-V295 HydrophobicContact CB-CG2 3.9Å; V244-V295 HydrophobicContact CG1-CG2 4.34Å; V244-V295 CarbonylContact O-C 3.29Å; V244-V295 VanDerWaalsContact O-CA 3.24Å; V244-V295 WeakPolarHBondContact O-CA 3.47Å; V246-V295 HydrophobicContact CB-CG1 4.45Å; V246-V295 HydrophobicContact CG2-CG1 3.76Å; C284-V295 CarbonylContact C-O 3.53Å; C284-V295 WeakPolarHBondContact CA-O 3.35Å; I285-V295 PolarHBondContact N-O 3.36Å; I285-V295 PolarHBondContact O-N 2.89Å; V295-I297 HydrophobicContact CG1-CD1 4.13Å; V295-I297 HydrophobicContact CG1-CG1 3.54Å
296I95.9Very high93.8Very high24 Ų2457.8 Ų57.812%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-107.7118.4166.4-63.3173.6000108.5L243 V244 V246 F274 A282 C283 C284 Y298L243-I296 HydrophobicContact CD1-CD1 3.72Å; L243-I296 HydrophobicContact CD1-CG1 3.76Å; L243-I296 HydrophobicContact CD2-CD1 4.3Å; V244-I296 PolarHBondContact O-N 2.99Å; V246-I296 PolarHBondContact N-O 2.77Å; F274-I296 HydrophobicContact CZ-CG2 4Å; A282-I296 HydrophobicContact CB-CG2 3.93Å; C283-I296 WeakPolarHBondContact O-CA 3.25Å; C284-I296 HydrophobicContact CB-CG1 4.24Å; I296-Y298 HydrophobicContact CB-CE2 4.13Å; I296-Y298 HydrophobicContact CG2-CD1 4.38Å; I296-Y298 HydrophobicContact CG2-CD2 4.24Å; I296-Y298 HydrophobicContact CG2-CE1 3.85Å; I296-Y298 HydrophobicContact CG2-CE2 3.67Å; I296-Y298 VanDerWaalsContact CG2-CZ 3.46Å
297I95.2Very high93.7Very high1 Ų157.7 Ų57.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-99.4116.7177.3-53.3-172.1000108.9V246 V248 L258 A282 C283 I285 V295 V299V246-I297 HydrophobicContact CB-CG1 4.29Å; V246-I297 CarbonylContact O-C 3.55Å; V246-I297 VanDerWaalsContact O-CA 3.25Å; V246-I297 WeakPolarHBondContact O-CA 3.49Å; V248-I297 HydrophobicContact CB-CG2 4.5Å; V248-I297 HydrophobicContact CG1-CG2 4.04Å; V248-I297 HydrophobicContact CG2-CG2 3.57Å; L258-I297 HydrophobicContact CD1-CD1 3.07Å; A282-I297 CarbonylContact C-O 3.59Å; A282-I297 WeakPolarHBondContact CA-O 3.42Å; A282-I297 VanDerWaalsContact CB-O 3.26Å; A282-I297 WeakPolarHBondContact CB-O 3.49Å; C283-I297 PolarHBondContact N-O 2.77Å; C283-I297 PolarHBondContact O-N 3.29Å; I285-I297 HydrophobicContact CD1-CD1 3.61Å; I285-I297 HydrophobicContact CD1-CG1 4.29Å; V295-I297 HydrophobicContact CG1-CD1 4.13Å; V295-I297 HydrophobicContact CG1-CG1 3.54Å; I297-V299 HydrophobicContact CG2-CG2 4.46Å
298Y95.1Very high93.7Very high70 Ų7056.3 Ų56.328%0.27529%0.286SS..EExtended strand (participates in β ladder)trans-93.3118.3176.4-57.2-88.3000109.4H245 V246 V248 I276 A282 I296H245-Y298 HydrophobicContact CB-CE2 3.89Å; H245-Y298 PolarHBondContact CE1-OH 2.83Å; H245-Y298 VanDerWaalsContact CE1-OH 3.29Å; H245-Y298 AromaticContact ND1-CE2 3.41Å; H245-Y298 WeakPolarHBondContact ND1-CE2 3.44Å; H245-Y298 AromaticContact ND1-CZ 3.53Å; H245-Y298 PolarHBondContact ND1-OH 2.76Å; V246-Y298 WeakPolarHBondContact O-CD2 3.35Å; V246-Y298 PolarHBondContact O-N 3.34Å; V248-Y298 WeakPolarHBondContact CG2-O 3.41Å; V248-Y298 PolarHBondContact N-O 3.13Å; I276-Y298 HydrophobicContact CD1-CD1 3.57Å; I276-Y298 HydrophobicContact CD1-CE1 3.69Å; A282-Y298 HydrophobicContact CB-CD1 4.07Å; A282-Y298 HydrophobicContact CB-CE1 4.44Å; I296-Y298 HydrophobicContact CB-CE2 4.13Å; I296-Y298 HydrophobicContact CG2-CD1 4.38Å; I296-Y298 HydrophobicContact CG2-CD2 4.24Å; I296-Y298 HydrophobicContact CG2-CE1 3.85Å; I296-Y298 HydrophobicContact CG2-CE2 3.67Å; I296-Y298 VanDerWaalsContact CG2-CZ 3.46Å
299V88.4Confident93.7Very high57 Ų5747.7 Ų47.735%0.34526%0.261SS..  trans-100.10178.3-170.30000108.8V248 S249 D254 S281 I297V248-V299 HydrophobicContact CG2-CG2 4.15Å; S249-V299 PolarHBondContact OG-OXT 2.67Å; D254-V299 HydrophobicContact CB-CG2 4.3Å; S281-V299 PolarHBondContact O-N 3.4Å; I297-V299 HydrophobicContact CG2-CG2 4.46Å

Retrieved 299 of 299 residues in 1204.3 ms (Link to these results)

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