A0A077YWE9_TRITR Loading...

Peptidase M14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M59.2Low85.8Confident220 Ų220124.7 Ų124.7100%1.08461%0.607SS**  01050-172.816468.300107.6K5M1-K5 HydrophobicContact CG-CD 4.37Å
2Q76.6Confident86.3Confident153 Ų153120.7 Ų120.772%0.71560%0.595SS**  trans-72.1142.5-163.2-71.5173.4-12.300112.9S4 K5Q2-S4 PolarHBondContact O-N 3Å; Q2-K5 PolarHBondContact O-N 3.41Å
3L85Confident86.4Confident124 Ų124119.1 Ų119.165%0.64959%0.588SS**Hα-helixtrans-41.2-30.9177.2-179.862.7000114.7K5 F6 L7L3-K5 PolarHBondContact O-N 2.84Å; L3-F6 HydrophobicContact CD1-CD1 4.41Å; L3-F6 WeakPolarHBondContact O-CB 3.18Å; L3-F6 PolarHBondContact O-N 3.31Å; L3-L7 HydrophobicContact CD1-CD1 4.47Å; L3-L7 HydrophobicContact CD1-CG 4.34Å; L3-L7 HydrophobicContact CG-CD1 4.08Å; L3-L7 HydrophobicContact CG-CG 4.39Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 2.91Å
4S90.4Very high86.4Confident71 Ų71114.4 Ų114.450%0.49758%0.577SS.*Hα-helixtrans-58.5-42.3175.1570000113.6Q2 F6 L7 A8Q2-S4 PolarHBondContact O-N 3Å; S4-F6 VanDerWaalsContact C-N 3.34Å; S4-L7 PolarHBondContact O-N 2.91Å; S4-A8 WeakPolarHBondContact O-CB 3.28Å; S4-A8 PolarHBondContact O-N 2.96Å
5K90.1Very high86.1Confident149 Ų149117.3 Ų117.365%0.64859%0.585SS**Hα-helixtrans-65.3-38.9176.7-72.3-171178.7-175.30111.5M1 Q2 L3 H9M1-K5 HydrophobicContact CG-CD 4.37Å; Q2-K5 PolarHBondContact O-N 3.41Å; L3-K5 PolarHBondContact O-N 2.84Å; K5-H9 WeakPolarHBondContact O-CB 3.5Å; K5-H9 PolarHBondContact O-N 3.2Å
6F89.4Confident85.9Confident118 Ų118114.4 Ų114.452%0.51857%0.571SS.*Hα-helixtrans-64.6-48.9177.1177.8-97.5000111.5L3 S4 A8 H9 H10L3-F6 HydrophobicContact CD1-CD1 4.41Å; L3-F6 WeakPolarHBondContact O-CB 3.18Å; L3-F6 PolarHBondContact O-N 3.31Å; S4-F6 VanDerWaalsContact C-N 3.34Å; F6-A8 PolarHBondContact O-N 2.82Å; F6-H9 PolarHBondContact O-N 3.18Å; F6-H10 AromaticContact CD1-CD2 3.85Å; F6-H10 AromaticContact CD2-CD2 3.79Å; F6-H10 AromaticContact CD2-NE2 3.96Å; F6-H10 AromaticContact CE1-CD2 3.49Å; F6-H10 VanDerWaalsContact CE1-CD2 3.49Å; F6-H10 WeakPolarHBondContact CE1-CD2 3.45Å; F6-H10 AromaticContact CE1-NE2 3.71Å; F6-H10 AromaticContact CE2-CD2 3.42Å; F6-H10 VanDerWaalsContact CE2-CD2 3.42Å; F6-H10 WeakPolarHBondContact CE2-CD2 3.3Å; F6-H10 AromaticContact CE2-NE2 3.14Å; F6-H10 WeakPolarHBondContact CE2-NE2 3.28Å; F6-H10 AromaticContact CZ-CD2 3.28Å; F6-H10 WeakPolarHBondContact CZ-CD2 3.36Å; F6-H10 AromaticContact CZ-CE1 3.99Å; F6-H10 AromaticContact CZ-NE2 3Å; F6-H10 WeakPolarHBondContact CZ-NE2 3.33Å; F6-H10 PolarHBondContact O-CD2 2.74Å; F6-H10 PolarHBondContact O-N 2.75Å
7L92.2Very high85.5Confident87 Ų87116.5 Ų116.546%0.45557%0.573SS.*Hα-helixtrans-63.9-39.5177.9-68.3174000112.6L3 S4 H10 R11L3-L7 HydrophobicContact CD1-CD1 4.47Å; L3-L7 HydrophobicContact CD1-CG 4.34Å; L3-L7 HydrophobicContact CG-CD1 4.08Å; L3-L7 HydrophobicContact CG-CG 4.39Å; L3-L7 WeakPolarHBondContact O-CG 3.49Å; L3-L7 PolarHBondContact O-N 2.91Å; S4-L7 PolarHBondContact O-N 2.91Å; L7-H10 PolarHBondContact O-N 3.42Å; L7-R11 WeakPolarHBondContact O-CB 3.37Å; L7-R11 WeakPolarHBondContact O-CG 3.36Å; L7-R11 PolarHBondContact O-N 3.15Å
8A91.8Very high84.8Confident54 Ų54118.9 Ų118.945%0.44658%0.579SS.*Hα-helixtrans-63.1-44.9174.900000111.6S4 F6 R11 T12S4-A8 WeakPolarHBondContact O-CB 3.28Å; S4-A8 PolarHBondContact O-N 2.96Å; F6-A8 PolarHBondContact O-N 2.82Å; A8-R11 PolarHBondContact O-N 2.59Å; A8-T12 PolarHBondContact O-N 3.01Å; A8-T12 PolarHBondContact O-OG1 3.2Å; A8-T12 VanDerWaalsContact O-OG1 3.09Å
9H88.6Confident84Confident106 Ų106115.6 Ų115.649%0.49156%0.564SS.*Hα-helixtrans-60.4-46.9175.2-177.183.1000111.9K5 F6 R11 T12 M13K5-H9 WeakPolarHBondContact O-CB 3.5Å; K5-H9 PolarHBondContact O-N 3.2Å; F6-H9 PolarHBondContact O-N 3.18Å; H9-R11 PolarHBondContact O-N 2.86Å; H9-T12 PolarHBondContact O-N 2.89Å; H9-M13 WeakPolarHBondContact CE1-CE 3.35Å; H9-M13 VanDerWaalsContact NE2-CE 3.29Å; H9-M13 WeakPolarHBondContact NE2-CE 3.5Å; H9-M13 WeakPolarHBondContact O-CG 3.36Å; H9-M13 PolarHBondContact O-N 2.86Å
10H89.4Confident83.2Confident97 Ų97114.1 Ų114.145%0.44956%0.559SS.*Hα-helixtrans-62-40.1176.7-92-85.6000113F6 L7 M13 A14F6-H10 AromaticContact CD1-CD2 3.85Å; F6-H10 AromaticContact CD2-CD2 3.79Å; F6-H10 AromaticContact CD2-NE2 3.96Å; F6-H10 AromaticContact CE1-CD2 3.49Å; F6-H10 VanDerWaalsContact CE1-CD2 3.49Å; F6-H10 WeakPolarHBondContact CE1-CD2 3.45Å; F6-H10 AromaticContact CE1-NE2 3.71Å; F6-H10 AromaticContact CE2-CD2 3.42Å; F6-H10 VanDerWaalsContact CE2-CD2 3.42Å; F6-H10 WeakPolarHBondContact CE2-CD2 3.3Å; F6-H10 AromaticContact CE2-NE2 3.14Å; F6-H10 WeakPolarHBondContact CE2-NE2 3.28Å; F6-H10 AromaticContact CZ-CD2 3.28Å; F6-H10 WeakPolarHBondContact CZ-CD2 3.36Å; F6-H10 AromaticContact CZ-CE1 3.99Å; F6-H10 AromaticContact CZ-NE2 3Å; F6-H10 WeakPolarHBondContact CZ-NE2 3.33Å; F6-H10 PolarHBondContact O-CD2 2.74Å; F6-H10 PolarHBondContact O-N 2.75Å; L7-H10 PolarHBondContact O-N 3.42Å; H10-M13 PolarHBondContact O-N 2.97Å; H10-A14 WeakPolarHBondContact O-CB 3.27Å; H10-A14 PolarHBondContact O-N 2.82Å
11R91.7Very high82.3Confident193 Ų193111.9 Ų111.973%0.72855%0.549SS*.Hα-helixtrans-61.5-43.7173.7-77.1176.9-179-179.31111.5L7 A8 H9 A14 K15L7-R11 WeakPolarHBondContact O-CB 3.37Å; L7-R11 WeakPolarHBondContact O-CG 3.36Å; L7-R11 PolarHBondContact O-N 3.15Å; A8-R11 PolarHBondContact O-N 2.59Å; H9-R11 PolarHBondContact O-N 2.86Å; R11-A14 PolarHBondContact O-N 2.87Å; R11-K15 VanDerWaalsContact O-CB 3.31Å; R11-K15 WeakPolarHBondContact O-CB 3.4Å; R11-K15 PolarHBondContact O-N 2.89Å
12T90.7Very high82.3Confident76 Ų76102.3 Ų102.347%0.46651%0.505SS..Hα-helixtrans-63.2-43.9175.8-59.60000111.5A8 H9 K15 N16A8-T12 PolarHBondContact O-N 3.01Å; A8-T12 PolarHBondContact O-OG1 3.2Å; A8-T12 VanDerWaalsContact O-OG1 3.09Å; H9-T12 PolarHBondContact O-N 2.89Å; T12-K15 PolarHBondContact O-N 3.32Å; T12-N16 WeakPolarHBondContact O-CB 3.29Å; T12-N16 PolarHBondContact O-N 3.28Å; T12-N16 PolarHBondContact O-ND2 3Å
13M88.5Confident81.4Confident100 Ų100100.5 Ų100.549%0.49350%0.495SS..Hα-helixtrans-62.3-46.2176.5-74.6-65.6-173.800112.4H9 H10 K15 N16 Y17H9-M13 WeakPolarHBondContact CE1-CE 3.35Å; H9-M13 VanDerWaalsContact NE2-CE 3.29Å; H9-M13 WeakPolarHBondContact NE2-CE 3.5Å; H9-M13 WeakPolarHBondContact O-CG 3.36Å; H9-M13 PolarHBondContact O-N 2.86Å; H10-M13 PolarHBondContact O-N 2.97Å; M13-K15 VanDerWaalsContact C-N 3.32Å; M13-K15 PolarHBondContact O-N 2.99Å; M13-N16 PolarHBondContact O-N 3.22Å; M13-Y17 WeakPolarHBondContact O-CB 3.45Å; M13-Y17 PolarHBondContact O-N 3.4Å
14A85.4Confident80Confident53 Ų53102.1 Ų102.144%0.43850%0.497SS..Hα-helixtrans-63.1-39.1176.400000112H10 R11 K18H10-A14 WeakPolarHBondContact O-CB 3.27Å; H10-A14 PolarHBondContact O-N 2.82Å; R11-A14 PolarHBondContact O-N 2.87Å; A14-K18 WeakPolarHBondContact O-CB 3.47Å; A14-K18 WeakPolarHBondContact O-CG 3.35Å; A14-K18 PolarHBondContact O-N 3.24Å
15K83Confident78.3Confident159 Ų159104.3 Ų104.369%0.69150%0.499SS*.Hα-helixtrans-63.6-44.6173.9-168.8179.9-177-178.40111.2R11 T12 M13 L19R11-K15 VanDerWaalsContact O-CB 3.31Å; R11-K15 WeakPolarHBondContact O-CB 3.4Å; R11-K15 PolarHBondContact O-N 2.89Å; T12-K15 PolarHBondContact O-N 3.32Å; M13-K15 VanDerWaalsContact C-N 3.32Å; M13-K15 PolarHBondContact O-N 2.99Å; K15-L19 VanDerWaalsContact O-CB 3.25Å; K15-L19 WeakPolarHBondContact O-CB 3.45Å; K15-L19 PolarHBondContact O-N 3.44Å
16N82.2Confident76.9Confident70 Ų7099.2 Ų99.237%0.37448%0.476SS..Hα-helixtrans-66.2-40177.8-71.8-14.1000112.3T12 M13 L19 N20T12-N16 WeakPolarHBondContact O-CB 3.29Å; T12-N16 PolarHBondContact O-N 3.28Å; T12-N16 PolarHBondContact O-ND2 3Å; M13-N16 PolarHBondContact O-N 3.22Å; N16-L19 WeakPolarHBondContact O-CB 3.33Å; N16-L19 PolarHBondContact O-N 3.24Å; N16-N20 WeakPolarHBondContact O-CB 3.41Å; N16-N20 PolarHBondContact O-N 2.91Å; N16-N20 PolarHBondContact O-ND2 2.99Å
17Y79Confident75.6Confident151 Ų151100.3 Ų100.359%0.59249%0.488SS*.Hα-helixtrans-62.6-49.5175.3178.4-97.6000111.7M13 L19 N20 N21M13-Y17 WeakPolarHBondContact O-CB 3.45Å; M13-Y17 PolarHBondContact O-N 3.4Å; Y17-L19 VanDerWaalsContact C-N 3.28Å; Y17-L19 PolarHBondContact O-N 3.46Å; Y17-N20 PolarHBondContact O-N 2.91Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.3Å; Y17-N21 PolarHBondContact O-N 2.87Å; Y17-N21 PolarHBondContact OH-ND2 3.48Å; Y17-N21 VanDerWaalsContact OH-ND2 3.14Å
18K73.4Confident74.4Confident159 Ų159104.5 Ų104.569%0.69150%0.502SS*.Hα-helixtrans-59.2-40.4174.2-74.2-176.4177.4-173.40111.8A14 A22A14-K18 WeakPolarHBondContact O-CB 3.47Å; A14-K18 WeakPolarHBondContact O-CG 3.35Å; A14-K18 PolarHBondContact O-N 3.24Å; K18-A22 VanDerWaalsContact O-CB 3.26Å; K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 3.47Å
19L69.3Low74.2Confident56 Ų56103.6 Ų103.629%0.29349%0.488SS..Hα-helixtrans-63-44.1176.2-177.765.3000111.8K15 N16 Y17 K23K15-L19 VanDerWaalsContact O-CB 3.25Å; K15-L19 WeakPolarHBondContact O-CB 3.45Å; K15-L19 PolarHBondContact O-N 3.44Å; N16-L19 WeakPolarHBondContact O-CB 3.33Å; N16-L19 PolarHBondContact O-N 3.24Å; Y17-L19 VanDerWaalsContact C-N 3.28Å; Y17-L19 PolarHBondContact O-N 3.46Å; L19-K23 VanDerWaalsContact O-CG 3.31Å; L19-K23 WeakPolarHBondContact O-CG 3.35Å; L19-K23 PolarHBondContact O-N 3.09Å
20N67.5Low74.2Confident86 Ų86100.1 Ų100.146%0.4648%0.476SS..Hα-helixtrans-69.7-40-179.8-72.4-18.2000112.7N16 Y17 K23 K24N16-N20 WeakPolarHBondContact O-CB 3.41Å; N16-N20 PolarHBondContact O-N 2.91Å; N16-N20 PolarHBondContact O-ND2 2.99Å; Y17-N20 PolarHBondContact O-N 2.91Å; N20-K23 WeakPolarHBondContact O-CB 3.31Å; N20-K23 PolarHBondContact O-N 3.35Å; N20-K24 PolarHBondContact O-N 2.97Å
21N64.9Low74.3Confident67 Ų6799.5 Ų99.536%0.35847%0.472SS..Hα-helixtrans-66.1-43.4174.3-78.8-4.9000111.4Y17 K23 K24 E25Y17-N21 WeakPolarHBondContact CE1-ND2 3.3Å; Y17-N21 PolarHBondContact O-N 2.87Å; Y17-N21 PolarHBondContact OH-ND2 3.48Å; Y17-N21 VanDerWaalsContact OH-ND2 3.14Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 2.86Å; N21-K24 PolarHBondContact O-N 2.96Å; N21-K24 VanDerWaalsContact O-N 3.12Å; N21-E25 PolarHBondContact O-N 3.46Å
22A58.7Low74.2Confident19 Ų1998.9 Ų98.916%0.15748%0.478CS..Hα-helixtrans-58.4-41.4172.200000111.2K18 K24 E25 Y26K18-A22 VanDerWaalsContact O-CB 3.26Å; K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 3.47Å; A22-K24 VanDerWaalsContact C-N 3.34Å; A22-K24 PolarHBondContact O-N 3.46Å; A22-E25 PolarHBondContact O-N 3.29Å; A22-Y26 HydrophobicContact CB-CD2 4.46Å; A22-Y26 HydrophobicContact CB-CE2 4.06Å; A22-Y26 WeakPolarHBondContact O-CD2 3.31Å; A22-Y26 WeakPolarHBondContact O-CE2 3.19Å; A22-Y26 PolarHBondContact O-N 3Å
23K57.9Low74.2Confident116 Ų116100.2 Ų100.250%0.50448%0.482SS..Hα-helixtrans-57.3-45174.2-76.2174.2177.8-177.40112.3L19 N20 N21 Y26 D27L19-K23 VanDerWaalsContact O-CG 3.31Å; L19-K23 WeakPolarHBondContact O-CG 3.35Å; L19-K23 PolarHBondContact O-N 3.09Å; N20-K23 WeakPolarHBondContact O-CB 3.31Å; N20-K23 PolarHBondContact O-N 3.35Å; N21-K23 VanDerWaalsContact C-N 3.28Å; N21-K23 PolarHBondContact O-N 2.86Å; K23-Y26 PolarHBondContact O-N 2.91Å; K23-D27 PolarHBondContact O-N 3.31Å
24K56.7Low74.4Confident158 Ų158100.6 Ų100.669%0.68748%0.479SS*.Hα-helixtrans-64.8-38.2178.9-85.5-173173.4-176.40113.6N20 N21 A22 Y26N20-K24 PolarHBondContact O-N 2.97Å; N21-K24 PolarHBondContact O-N 2.96Å; N21-K24 VanDerWaalsContact O-N 3.12Å; A22-K24 VanDerWaalsContact C-N 3.34Å; A22-K24 PolarHBondContact O-N 3.46Å; K24-Y26 VanDerWaalsContact C-N 3.29Å; K24-Y26 PolarHBondContact O-N 2.69Å
25E54.9Low74.7Confident117 Ų11799 Ų9955%0.54746%0.462SS..Hα-helixtrans-68.6-28.4-178.3-162.5174.917000112N21 A22N21-E25 PolarHBondContact O-N 3.46Å; A22-E25 PolarHBondContact O-N 3.29Å
26Y60.4Low75.2Confident42 Ų4292.9 Ų92.917%0.16544%0.439CS..Hα-helixtrans-103.2-13-175.3-58.1-56.8000116A22 K23 K24 F28 F29 G42 A46A22-Y26 HydrophobicContact CB-CD2 4.46Å; A22-Y26 HydrophobicContact CB-CE2 4.06Å; A22-Y26 WeakPolarHBondContact O-CD2 3.31Å; A22-Y26 WeakPolarHBondContact O-CE2 3.19Å; A22-Y26 PolarHBondContact O-N 3Å; K23-Y26 PolarHBondContact O-N 2.91Å; K24-Y26 VanDerWaalsContact C-N 3.29Å; K24-Y26 PolarHBondContact O-N 2.69Å; Y26-F28 PolarHBondContact O-N 2.75Å; Y26-F28 VanDerWaalsContact O-N 3.08Å; Y26-F29 PolarHBondContact O-N 2.9Å; Y26-F29 VanDerWaalsContact O-N 3.15Å; Y26-G42 VanDerWaalsContact OH-CA 3.23Å; Y26-G42 WeakPolarHBondContact OH-CA 3.27Å; Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CG-CB 4.1Å
27D62.6Low75.6Confident141 Ų14190.3 Ų90.375%0.75443%0.425SS*.THydrogen-bonded Turntrans-61.2-15.9173.3-139.718.7000111.7K23K23-D27 PolarHBondContact O-N 3.31Å
28F66.8Low76.1Confident174 Ų17490.2 Ų90.276%0.76343%0.427SS*.THydrogen-bonded Turntrans-106.926.5177.7-61.6-78.7000114Y26 S30Y26-F28 PolarHBondContact O-N 2.75Å; Y26-F28 VanDerWaalsContact O-N 3.08Å; F28-S30 PolarHBondContact O-N 2.93Å
29F87.3Confident76.9Confident35 Ų3586.6 Ų86.615%0.15441%0.413CS..  trans-65.3118.2169.1-167.5-88.5000109.4Y26 F31 H35 Y43 V97Y26-F29 PolarHBondContact O-N 2.9Å; Y26-F29 VanDerWaalsContact O-N 3.15Å; F29-F31 HydrophobicContact CD1-CD1 4.39Å; F29-F31 HydrophobicContact CD1-CD2 4.48Å; F29-F31 AromaticContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE2 4.04Å; F29-F31 AromaticContact CD1-CZ 3.75Å; F29-F31 HydrophobicContact CD1-CZ 3.75Å; F29-F31 HydrophobicContact CE1-CD1 4.07Å; F29-F31 AromaticContact CE1-CE1 3.71Å; F29-F31 HydrophobicContact CE1-CE1 3.71Å; F29-F31 AromaticContact CE1-CZ 3.98Å; F29-F31 HydrophobicContact CE1-CZ 3.98Å; F29-H35 AromaticContact CE1-CD2 3.85Å; F29-H35 HydrophobicContact CE2-CB 3.99Å; F29-H35 AromaticContact CE2-CD2 3.51Å; F29-H35 AromaticContact CE2-CG 3.59Å; F29-H35 AromaticContact CE2-NE2 3.97Å; F29-H35 HydrophobicContact CZ-CB 4.24Å; F29-H35 AromaticContact CZ-CD2 3.33Å; F29-H35 WeakPolarHBondContact CZ-CD2 3.41Å; F29-H35 AromaticContact CZ-CG 3.83Å; F29-H35 AromaticContact CZ-NE2 3.95Å; F29-Y43 HydrophobicContact CB-CD2 3.56Å; F29-Y43 HydrophobicContact CB-CE2 4.13Å; F29-Y43 HydrophobicContact CB-CG 4.36Å; F29-Y43 AromaticContact CD1-CD2 3.83Å; F29-Y43 HydrophobicContact CD1-CD2 3.83Å; F29-Y43 HydrophobicContact CD1-CE2 4.07Å; F29-Y43 HydrophobicContact CD1-CG 4.16Å; F29-Y43 AromaticContact CD2-CD2 3.88Å; F29-Y43 HydrophobicContact CD2-CD2 3.88Å; F29-Y43 AromaticContact CD2-CG 3.81Å; F29-Y43 HydrophobicContact CD2-CG 3.81Å; F29-Y43 HydrophobicContact CE1-CG 4.43Å; F29-Y43 HydrophobicContact CE2-CG 4.08Å; F29-Y43 AromaticContact CG-CD2 3.46Å; F29-Y43 HydrophobicContact CG-CD2 3.46Å; F29-Y43 VanDerWaalsContact CG-CD2 3.46Å; F29-Y43 HydrophobicContact CG-CE2 4.11Å; F29-Y43 AromaticContact CG-CG 3.83Å; F29-Y43 HydrophobicContact CG-CG 3.83Å; F29-Y43 HydrophobicContact CZ-CG 4.39Å; F29-V97 HydrophobicContact CE1-CG1 3.77Å; F29-V97 HydrophobicContact CZ-CG1 3.76Å
30S88.5Confident78Confident34 Ų3484.1 Ų84.124%0.23840%0.4CS..  trans-99129.8-176.6178.80000110.6F28 E32 H35F28-S30 PolarHBondContact O-N 2.93Å; S30-E32 PolarHBondContact O-N 2.77Å; S30-E32 PolarHBondContact OG-N 3.27Å; S30-H35 PolarHBondContact N-NE2 2.79Å; S30-H35 PolarHBondContact O-CD2 3.37Å; S30-H35 PolarHBondContact O-NE2 3.32Å
31F91.6Very high79.1Confident83 Ų8381.4 Ų81.436%0.36438%0.384SS..THydrogen-bonded Turntrans-84.65.1173.3-66.9-80.9000113.3F29 Y43 V97 F98 N101F29-F31 HydrophobicContact CD1-CD1 4.39Å; F29-F31 HydrophobicContact CD1-CD2 4.48Å; F29-F31 AromaticContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE1 3.97Å; F29-F31 HydrophobicContact CD1-CE2 4.04Å; F29-F31 AromaticContact CD1-CZ 3.75Å; F29-F31 HydrophobicContact CD1-CZ 3.75Å; F29-F31 HydrophobicContact CE1-CD1 4.07Å; F29-F31 AromaticContact CE1-CE1 3.71Å; F29-F31 HydrophobicContact CE1-CE1 3.71Å; F29-F31 AromaticContact CE1-CZ 3.98Å; F29-F31 HydrophobicContact CE1-CZ 3.98Å; F31-Y43 HydrophobicContact CZ-CE2 4.13Å; F31-Y43 AromaticContact CZ-CZ 3.83Å; F31-V97 HydrophobicContact CE1-CG1 4.15Å; F31-F98 HydrophobicContact CB-CD2 4.34Å; F31-F98 HydrophobicContact CD1-CB 4.07Å; F31-F98 AromaticContact CD1-CD2 3.68Å; F31-F98 HydrophobicContact CD1-CD2 3.68Å; F31-F98 HydrophobicContact CD1-CG 4.38Å; F31-F98 HydrophobicContact CE1-CB 4.24Å; F31-F98 HydrophobicContact CE1-CD2 4.18Å; F31-F98 HydrophobicContact CG-CD2 4.02Å; F31-N101 HydrophobicContact CE1-CB 3.93Å; F31-N101 HydrophobicContact CE2-CB 4.2Å; F31-N101 HydrophobicContact CZ-CB 3.48Å; F31-N101 VanDerWaalsContact CZ-CB 3.48Å
32E89.5Confident80.3Confident180 Ų18078.4 Ų78.484%0.84137%0.369SS*.THydrogen-bonded Turntrans-93.5-12.4177.4-59.2-179.6171.600112.6S30S30-E32 PolarHBondContact O-N 2.77Å; S30-E32 PolarHBondContact OG-N 3.27Å
33N89.7Confident81.9Confident104 Ų10478.2 Ų78.256%0.55636%0.364SS*.SBendtrans-123.5157.2-176.8-64-53.1000112H35N33-H35 PolarHBondContact O-CD2 2.94Å
34Y93.4Very high83.5Confident108 Ų10872.8 Ų72.842%0.42434%0.34SS..  trans-80.1150164.8-58.3-61.7000109.9W90 I91 A94 W137Y34-W90 HydrophobicContact CD1-CB 3.6Å; Y34-W90 HydrophobicContact CD2-CB 4.33Å; Y34-W90 AromaticContact CD2-CE3 3.7Å; Y34-W90 HydrophobicContact CD2-CE3 3.7Å; Y34-W90 HydrophobicContact CD2-CZ3 4.46Å; Y34-W90 HydrophobicContact CE1-CB 3.93Å; Y34-W90 HydrophobicContact CE2-CE3 4.46Å; Y34-W90 HydrophobicContact CG-CB 3.83Å; Y34-W90 AromaticContact CG-CE3 3.87Å; Y34-W90 HydrophobicContact CG-CE3 3.87Å; Y34-I91 HydrophobicContact CE1-CB 4.47Å; Y34-I91 HydrophobicContact CE1-CD1 4.41Å; Y34-A94 HydrophobicContact CD1-CB 4.02Å; Y34-A94 HydrophobicContact CE1-CB 4.06Å; Y34-W137 VanDerWaalsContact O-CH2 3.31Å; Y34-W137 WeakPolarHBondContact O-CH2 3.13Å
35H92.6Very high85.2Confident19 Ų1969.5 Ų69.59%0.08833%0.326CS..  trans-126.9138.7-172.1-75.1-75.9000112.2F29 S30 N33 E39 I40 Y133 W137F29-H35 AromaticContact CE1-CD2 3.85Å; F29-H35 HydrophobicContact CE2-CB 3.99Å; F29-H35 AromaticContact CE2-CD2 3.51Å; F29-H35 AromaticContact CE2-CG 3.59Å; F29-H35 AromaticContact CE2-NE2 3.97Å; F29-H35 HydrophobicContact CZ-CB 4.24Å; F29-H35 AromaticContact CZ-CD2 3.33Å; F29-H35 WeakPolarHBondContact CZ-CD2 3.41Å; F29-H35 AromaticContact CZ-CG 3.83Å; F29-H35 AromaticContact CZ-NE2 3.95Å; S30-H35 PolarHBondContact N-NE2 2.79Å; S30-H35 PolarHBondContact O-CD2 3.37Å; S30-H35 PolarHBondContact O-NE2 3.32Å; N33-H35 PolarHBondContact O-CD2 2.94Å; H35-E39 HydrophobicContact CB-CB 4.09Å; H35-E39 IonicContact CE1-OE2 3.55Å; H35-E39 IonicContact CG-OE2 3.73Å; H35-E39 IonicContact ND1-OE2 2.69Å; H35-E39 PolarHBondContact ND1-OE2 2.85Å; H35-I40 HydrophobicContact CB-CG1 4.03Å; H35-I40 WeakPolarHBondContact O-CD1 3.39Å; H35-Y133 WeakPolarHBondContact O-CE1 3.48Å; H35-Y133 PolarHBondContact O-OH 3.15Å; H35-W137 WeakPolarHBondContact O-CZ2 3.42Å
36P92.2Very high86.9Confident31 Ų3165.1 Ų65.120%0.20131%0.31CS..  trans-63.6159.9173.828.4-35.3000111.1K38 E39 I40 W137P36-K38 PolarHBondContact O-N 3.32Å; P36-K38 VanDerWaalsContact O-N 3.13Å; P36-E39 HydrophobicContact CG-CB 4.16Å; P36-E39 HydrophobicContact CG-CG 3.84Å; P36-E39 VanDerWaalsContact CG-OE1 3.28Å; P36-E39 WeakPolarHBondContact CG-OE1 3.48Å; P36-E39 PolarHBondContact O-N 3.01Å; P36-I40 PolarHBondContact O-N 3.22Å; P36-I40 VanDerWaalsContact O-N 3.16Å; P36-W137 HydrophobicContact CB-CD2 3.99Å; P36-W137 HydrophobicContact CB-CE3 4.08Å; P36-W137 HydrophobicContact CB-CG 4.35Å; P36-W137 HydrophobicContact CB-CZ3 4.48Å
37L90.3Very high88.5Confident17 Ų1763.4 Ų63.49%0.08930%0.304CS..Hα-helixtrans-53.6-41.9-172.8-169.764.5000112.8E39 I40 Y41 V127 P130 Y133 E134L37-E39 VanDerWaalsContact C-N 3.29Å; L37-E39 PolarHBondContact O-N 3.26Å; L37-I40 PolarHBondContact O-N 3.04Å; L37-Y41 HydrophobicContact CD1-CD2 4.49Å; L37-Y41 HydrophobicContact CD1-CE1 4.01Å; L37-Y41 HydrophobicContact CD1-CE2 3.89Å; L37-Y41 HydrophobicContact CD2-CE2 3.82Å; L37-Y41 HydrophobicContact CG-CD2 4.02Å; L37-Y41 HydrophobicContact CG-CE2 3.59Å; L37-Y41 PolarHBondContact O-N 3.03Å; L37-V127 HydrophobicContact CD1-CB 4.08Å; L37-V127 HydrophobicContact CD1-CG1 3.92Å; L37-V127 HydrophobicContact CD1-CG2 3.96Å; L37-P130 HydrophobicContact CD1-CB 4.2Å; L37-P130 HydrophobicContact CD2-CB 3.7Å; L37-Y133 HydrophobicContact CB-CD1 4.09Å; L37-Y133 HydrophobicContact CD1-CD1 4.12Å; L37-E134 WeakPolarHBondContact CB-OE2 3.29Å; L37-E134 HydrophobicContact CD2-CB 4.44Å
38K89.5Confident89.8Confident148 Ų14859.8 Ų59.864%0.64328%0.282SS*.Hα-helixtrans-58.3-39.5178.4-174.2-174.1174.4-162.50112.6P36 G42P36-K38 PolarHBondContact O-N 3.32Å; P36-K38 VanDerWaalsContact O-N 3.13Å; K38-G42 PolarHBondContact O-N 2.92Å
39E90.9Very high91Very high83 Ų8356.1 Ų56.139%0.38826%0.263SS..Hα-helixtrans-73.5-40.2179.5-72.6177-145.200111.1H35 P36 L37 G42 Y43H35-E39 HydrophobicContact CB-CB 4.09Å; H35-E39 IonicContact CE1-OE2 3.55Å; H35-E39 IonicContact CG-OE2 3.73Å; H35-E39 IonicContact ND1-OE2 2.69Å; H35-E39 PolarHBondContact ND1-OE2 2.85Å; P36-E39 HydrophobicContact CG-CB 4.16Å; P36-E39 HydrophobicContact CG-CG 3.84Å; P36-E39 VanDerWaalsContact CG-OE1 3.28Å; P36-E39 WeakPolarHBondContact CG-OE1 3.48Å; P36-E39 PolarHBondContact O-N 3.01Å; L37-E39 VanDerWaalsContact C-N 3.29Å; L37-E39 PolarHBondContact O-N 3.26Å; E39-G42 PolarHBondContact O-N 2.91Å; E39-Y43 WeakPolarHBondContact O-CB 3.37Å; E39-Y43 PolarHBondContact O-N 3.39Å
40I92.2Very high91.3Very high4 Ų460.2 Ų60.22%0.02128%0.281CS..Hα-helixtrans-57.8-54.1173.4-65.7173.9000110.5H35 P36 L37 G42 Y43 L44 P93 V97 V127 Y133H35-I40 HydrophobicContact CB-CG1 4.03Å; H35-I40 WeakPolarHBondContact O-CD1 3.39Å; P36-I40 PolarHBondContact O-N 3.22Å; P36-I40 VanDerWaalsContact O-N 3.16Å; L37-I40 PolarHBondContact O-N 3.04Å; I40-G42 VanDerWaalsContact C-N 3.27Å; I40-G42 PolarHBondContact O-N 2.87Å; I40-Y43 WeakPolarHBondContact O-CB 3.25Å; I40-Y43 PolarHBondContact O-N 2.92Å; I40-Y43 VanDerWaalsContact O-N 3.17Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 2.9Å; I40-P93 HydrophobicContact CD1-CB 4.35Å; I40-V97 HydrophobicContact CG2-CG2 3.84Å; I40-V127 HydrophobicContact CD1-CG2 4.16Å; I40-Y133 HydrophobicContact CD1-CE1 3.8Å
41Y90.7Very high91.6Very high30 Ų3060.4 Ų60.412%0.11828%0.277CS..Hα-helixtrans-63.2-35.7179.3-69.8-20.7000113L37 L44 K45 Y64 P130L37-Y41 HydrophobicContact CD1-CD2 4.49Å; L37-Y41 HydrophobicContact CD1-CE1 4.01Å; L37-Y41 HydrophobicContact CD1-CE2 3.89Å; L37-Y41 HydrophobicContact CD2-CE2 3.82Å; L37-Y41 HydrophobicContact CG-CD2 4.02Å; L37-Y41 HydrophobicContact CG-CE2 3.59Å; L37-Y41 PolarHBondContact O-N 3.03Å; Y41-L44 HydrophobicContact CD1-CD1 4.35Å; Y41-L44 PolarHBondContact O-N 3.35Å; Y41-K45 WeakPolarHBondContact O-CG 3Å; Y41-K45 PolarHBondContact O-N 3.45Å; Y41-Y64 PolarHBondContact OH-O 2.92Å; Y41-Y64 VanDerWaalsContact OH-O 3.11Å; Y41-P130 WeakPolarHBondContact OH-CB 3.4Å
42G90.1Very high91.7Very high4 Ų460.9 Ų60.94%0.04129%0.288CS..Hα-helixtrans-61.1-45.4173.500000113.2Y26 K38 E39 I40 K45 A46Y26-G42 VanDerWaalsContact OH-CA 3.23Å; Y26-G42 WeakPolarHBondContact OH-CA 3.27Å; K38-G42 PolarHBondContact O-N 2.92Å; E39-G42 PolarHBondContact O-N 2.91Å; I40-G42 VanDerWaalsContact C-N 3.27Å; I40-G42 PolarHBondContact O-N 2.87Å; G42-K45 PolarHBondContact O-N 3.35Å; G42-A46 PolarHBondContact O-N 3.32Å
43Y92.4Very high91.8Very high14 Ų1456.4 Ų56.46%0.05528%0.277CS..Hα-helixtrans-60.8-48174172.9-97.6000111.7F29 F31 E39 I40 K45 A46 V47 V97 N101F29-Y43 HydrophobicContact CB-CD2 3.56Å; F29-Y43 HydrophobicContact CB-CE2 4.13Å; F29-Y43 HydrophobicContact CB-CG 4.36Å; F29-Y43 AromaticContact CD1-CD2 3.83Å; F29-Y43 HydrophobicContact CD1-CD2 3.83Å; F29-Y43 HydrophobicContact CD1-CE2 4.07Å; F29-Y43 HydrophobicContact CD1-CG 4.16Å; F29-Y43 AromaticContact CD2-CD2 3.88Å; F29-Y43 HydrophobicContact CD2-CD2 3.88Å; F29-Y43 AromaticContact CD2-CG 3.81Å; F29-Y43 HydrophobicContact CD2-CG 3.81Å; F29-Y43 HydrophobicContact CE1-CG 4.43Å; F29-Y43 HydrophobicContact CE2-CG 4.08Å; F29-Y43 AromaticContact CG-CD2 3.46Å; F29-Y43 HydrophobicContact CG-CD2 3.46Å; F29-Y43 VanDerWaalsContact CG-CD2 3.46Å; F29-Y43 HydrophobicContact CG-CE2 4.11Å; F29-Y43 AromaticContact CG-CG 3.83Å; F29-Y43 HydrophobicContact CG-CG 3.83Å; F29-Y43 HydrophobicContact CZ-CG 4.39Å; F31-Y43 HydrophobicContact CZ-CE2 4.13Å; F31-Y43 AromaticContact CZ-CZ 3.83Å; E39-Y43 WeakPolarHBondContact O-CB 3.37Å; E39-Y43 PolarHBondContact O-N 3.39Å; I40-Y43 WeakPolarHBondContact O-CB 3.25Å; I40-Y43 PolarHBondContact O-N 2.92Å; I40-Y43 VanDerWaalsContact O-N 3.17Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.85Å; Y43-A46 CarbonylContact O-C 3.53Å; Y43-A46 WeakPolarHBondContact O-CA 3.28Å; Y43-A46 VanDerWaalsContact O-CB 3.32Å; Y43-A46 WeakPolarHBondContact O-CB 3.14Å; Y43-A46 PolarHBondContact O-N 3.46Å; Y43-V47 HydrophobicContact CD1-CG2 4.06Å; Y43-V47 HydrophobicContact CD2-CG2 4.31Å; Y43-V47 HydrophobicContact CE1-CG2 3.5Å; Y43-V47 HydrophobicContact CE2-CG2 3.8Å; Y43-V47 HydrophobicContact CG-CG2 4.42Å; Y43-V47 WeakPolarHBondContact O-CG2 3.42Å; Y43-V47 PolarHBondContact O-N 2.88Å; Y43-V97 HydrophobicContact CD1-CG1 3.42Å; Y43-V97 VanDerWaalsContact CD1-CG1 3.42Å; Y43-V97 HydrophobicContact CE1-CG1 3.4Å; Y43-V97 HydrophobicContact CG-CG1 4.39Å; Y43-N101 VanDerWaalsContact OH-CB 3.23Å; Y43-N101 WeakPolarHBondContact OH-CB 3.44Å; Y43-N101 PolarHBondContact OH-ND2 3.44Å
44L92.1Very high92Very high2 Ų251.6 Ų51.61%0.0125%0.251CS..Hα-helixtrans-56.1-44.7176.6-64.3-177.5000111.8I40 Y41 A46 V47 Q48 I57 F68 I100 P126I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 2.9Å; Y41-L44 HydrophobicContact CD1-CD1 4.35Å; Y41-L44 PolarHBondContact O-N 3.35Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.49Å; L44-V47 PolarHBondContact O-N 2.86Å; L44-Q48 PolarHBondContact O-N 3.2Å; L44-I57 HydrophobicContact CB-CD1 4.4Å; L44-F68 HydrophobicContact CB-CD2 3.85Å; L44-F68 HydrophobicContact CB-CE2 4.04Å; L44-F68 HydrophobicContact CD1-CB 4.48Å; L44-F68 HydrophobicContact CD1-CD2 4.41Å; L44-F68 HydrophobicContact CD2-CB 4.27Å; L44-F68 HydrophobicContact CD2-CD2 3.92Å; L44-F68 HydrophobicContact CD2-CE2 4.43Å; L44-F68 HydrophobicContact CD2-CG 4Å; L44-F68 HydrophobicContact CG-CD2 4.26Å; L44-F68 VanDerWaalsContact O-CE2 3.23Å; L44-F68 WeakPolarHBondContact O-CE2 3.43Å; L44-I100 HydrophobicContact CD2-CD1 3.51Å; L44-I100 HydrophobicContact CD2-CG2 4.39Å; L44-P126 HydrophobicContact CD1-CG 4.22Å; L44-P126 HydrophobicContact CD2-CG 4.46Å
45K91.1Very high92Very high90 Ų9047 Ų4739%0.39123%0.234SC..Hα-helixtrans-64.1-32.6175.4-72.3168.6-175.4169.30112.3Y41 G42 Y43 R49 I57 E66Y41-K45 WeakPolarHBondContact O-CG 3Å; Y41-K45 PolarHBondContact O-N 3.45Å; G42-K45 PolarHBondContact O-N 3.35Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.85Å; K45-R49 VanDerWaalsContact O-CG 3.24Å; K45-R49 WeakPolarHBondContact O-CG 3.33Å; K45-R49 PolarHBondContact O-N 2.95Å; K45-R49 PolarHBondContact O-NE 3.16Å; K45-I57 HydrophobicContact CB-CD1 4.36Å; K45-I57 HydrophobicContact CG-CD1 3.59Å; K45-E66 WeakPolarHBondContact CE-OE2 3.24Å; K45-E66 IonicContact NZ-OE1 3.57Å; K45-E66 IonicContact NZ-OE2 2.67Å
46A91.4Very high92Very high24 Ų2451.1 Ų51.120%0.19825%0.254CS..Hα-helixtrans-68.9-46.7173.600000111.7Y26 G42 Y43 L44 Q48 R49 K50Y26-A46 HydrophobicContact CD2-CB 4.06Å; Y26-A46 HydrophobicContact CG-CB 4.1Å; G42-A46 PolarHBondContact O-N 3.32Å; Y43-A46 CarbonylContact O-C 3.53Å; Y43-A46 WeakPolarHBondContact O-CA 3.28Å; Y43-A46 VanDerWaalsContact O-CB 3.32Å; Y43-A46 WeakPolarHBondContact O-CB 3.14Å; Y43-A46 PolarHBondContact O-N 3.46Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 3.49Å; A46-Q48 VanDerWaalsContact C-N 3.33Å; A46-Q48 PolarHBondContact O-N 2.94Å; A46-R49 PolarHBondContact O-N 3.21Å; A46-R49 VanDerWaalsContact O-N 3.16Å; A46-K50 WeakPolarHBondContact O-CB 3.46Å; A46-K50 PolarHBondContact O-N 2.92Å
47V93Very high91.8Very high6 Ų651.3 Ų51.34%0.03625%0.253CS..Hα-helixtrans-57.5-46.3175.51770000110.6Y43 L44 R49 K50 Y51 T55 F68 I100 T104Y43-V47 HydrophobicContact CD1-CG2 4.06Å; Y43-V47 HydrophobicContact CD2-CG2 4.31Å; Y43-V47 HydrophobicContact CE1-CG2 3.5Å; Y43-V47 HydrophobicContact CE2-CG2 3.8Å; Y43-V47 HydrophobicContact CG-CG2 4.42Å; Y43-V47 WeakPolarHBondContact O-CG2 3.42Å; Y43-V47 PolarHBondContact O-N 2.88Å; L44-V47 PolarHBondContact O-N 2.86Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.35Å; V47-K50 PolarHBondContact O-N 3.11Å; V47-K50 VanDerWaalsContact O-N 3.11Å; V47-Y51 HydrophobicContact CG1-CD2 4.08Å; V47-Y51 PolarHBondContact O-N 3.42Å; V47-T55 HydrophobicContact CG1-CG2 4.35Å; V47-F68 HydrophobicContact CB-CZ 3.91Å; V47-F68 HydrophobicContact CG1-CE1 3.88Å; V47-F68 HydrophobicContact CG1-CZ 3.62Å; V47-I100 HydrophobicContact CG1-CG2 4.1Å; V47-T104 HydrophobicContact CG1-CG2 3.69Å
48Q91.2Very high91.5Very high65 Ų6552.3 Ų52.330%0.30426%0.259SS..Hα-helixtrans-59.4-42.8177.5-173.4-174.8-44.900112.6L44 A46 K50 Y51 P52 T55 I57 F68L44-Q48 PolarHBondContact O-N 3.2Å; A46-Q48 VanDerWaalsContact C-N 3.33Å; A46-Q48 PolarHBondContact O-N 2.94Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 2.91Å; Q48-Y51 CarbonylContact O-C 3.5Å; Q48-P52 VanDerWaalsContact O-CA 3.3Å; Q48-P52 WeakPolarHBondContact O-CA 3.29Å; Q48-P52 VanDerWaalsContact O-N 3.13Å; Q48-T55 VanDerWaalsContact CA-OG1 3.31Å; Q48-T55 WeakPolarHBondContact CA-OG1 3.49Å; Q48-I57 HydrophobicContact CB-CD1 4.32Å; Q48-I57 VanDerWaalsContact OE1-CD1 3.24Å; Q48-F68 HydrophobicContact CB-CE2 4.08Å; Q48-F68 HydrophobicContact CB-CZ 4.29Å
49R91.5Very high90.8Very high97 Ų9751.5 Ų51.537%0.36626%0.256SS..Hα-helixtrans-67.2-32.1177.9-73.5177.5-67.1-174.85.3112.6K45 A46 V47K45-R49 VanDerWaalsContact O-CG 3.24Å; K45-R49 WeakPolarHBondContact O-CG 3.33Å; K45-R49 PolarHBondContact O-N 2.95Å; K45-R49 PolarHBondContact O-NE 3.16Å; A46-R49 PolarHBondContact O-N 3.21Å; A46-R49 VanDerWaalsContact O-N 3.16Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 3.35Å
50K93.3Very high89.8Confident121 Ų12152.8 Ų52.853%0.52626%0.264SS..Hα-helixtrans-77.4-36.9179.2-169.8175.1178.7-172.10111.8A46 V47 Q48 P52 E105A46-K50 WeakPolarHBondContact O-CB 3.46Å; A46-K50 PolarHBondContact O-N 2.92Å; V47-K50 PolarHBondContact O-N 3.11Å; V47-K50 VanDerWaalsContact O-N 3.11Å; Q48-K50 VanDerWaalsContact C-N 3.3Å; Q48-K50 PolarHBondContact O-N 2.91Å; K50-P52 WeakPolarHBondContact O-CD 3.37Å; K50-E105 WeakPolarHBondContact CE-OE1 3.41Å; K50-E105 IonicContact NZ-OE1 2.76Å; K50-E105 PolarHBondContact NZ-OE1 3.37Å; K50-E105 IonicContact NZ-OE2 3.52Å; K50-E105 PolarHBondContact NZ-OE2 3.33Å
51Y93.9Very high88.4Confident38 Ų3853.7 Ų53.715%0.14927%0.274CS..  trans-125.253.3-175.5-56.2-70.7000113.6V47 Q48 S53 I54 T55 T104 E105V47-Y51 HydrophobicContact CG1-CD2 4.08Å; V47-Y51 PolarHBondContact O-N 3.42Å; Q48-Y51 CarbonylContact O-C 3.5Å; Y51-S53 PolarHBondContact O-N 3.37Å; Y51-I54 PolarHBondContact O-N 2.95Å; Y51-T55 PolarHBondContact O-N 2.97Å; Y51-T55 PolarHBondContact O-OG1 3.31Å; Y51-T104 HydrophobicContact CD2-CG2 4.29Å; Y51-E105 WeakPolarHBondContact CE2-OE1 3.49Å; Y51-E105 PolarHBondContact OH-OE1 3.26Å; Y51-E105 PolarHBondContact OH-OE2 3.35Å
52P93.9Very high86.8Confident93 Ų9356.5 Ų56.560%0.60430%0.304SS*.THydrogen-bonded Turntrans-65.2-14.5-172.428.5-37000113.8Q48 K50Q48-P52 VanDerWaalsContact O-CA 3.3Å; Q48-P52 WeakPolarHBondContact O-CA 3.29Å; Q48-P52 VanDerWaalsContact O-N 3.13Å; K50-P52 WeakPolarHBondContact O-CD 3.37Å
53S93Very high84.9Confident87 Ų8757.6 Ų57.661%0.60831%0.311SS*.THydrogen-bonded Turntrans-79.4-18.7179.755.90000114.5Y51Y51-S53 PolarHBondContact O-N 3.37Å
54I94Very high83.1Confident3 Ų365.7 Ų65.72%0.01534%0.342CS..THydrogen-bonded Turntrans-130-2-175.563.1174000113Y51 I70 G71 T104 Y107 V117Y51-I54 PolarHBondContact O-N 2.95Å; I54-I70 CarbonylContact O-C 3.59Å; I54-I70 VanDerWaalsContact O-CA 3.29Å; I54-I70 WeakPolarHBondContact O-CA 3.35Å; I54-G71 PolarHBondContact O-N 2.73Å; I54-T104 HydrophobicContact CD1-CG2 4.48Å; I54-Y107 HydrophobicContact CD1-CD1 3.71Å; I54-Y107 HydrophobicContact CD1-CD2 4.19Å; I54-Y107 HydrophobicContact CD1-CE1 4.37Å; I54-Y107 HydrophobicContact CD1-CG 3.59Å; I54-Y107 HydrophobicContact CG2-CD1 4.09Å; I54-Y107 HydrophobicContact CG2-CE1 3.65Å; I54-Y107 HydrophobicContact CG2-CE2 4.26Å; I54-V117 HydrophobicContact CB-CG1 4.32Å; I54-V117 HydrophobicContact CD1-CG1 4.48Å; I54-V117 HydrophobicContact CG2-CG1 4.37Å
55T93.6Very high81.5Confident10 Ų1067.3 Ų67.36%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-130.5145.4-175.459.50000112.2V47 Q48 Y51 F68 Q69 I70 T104V47-T55 HydrophobicContact CG1-CG2 4.35Å; Q48-T55 VanDerWaalsContact CA-OG1 3.31Å; Q48-T55 WeakPolarHBondContact CA-OG1 3.49Å; Y51-T55 PolarHBondContact O-N 2.97Å; Y51-T55 PolarHBondContact O-OG1 3.31Å; T55-F68 HydrophobicContact CG2-CE1 3.66Å; T55-F68 HydrophobicContact CG2-CZ 3.84Å; T55-Q69 CarbonylContact C-O 3.59Å; T55-Q69 VanDerWaalsContact CA-O 3.31Å; T55-Q69 WeakPolarHBondContact CA-O 3.39Å; T55-I70 HydrophobicContact CG2-CG1 4.2Å; T55-I70 HydrophobicContact CG2-CG2 4.44Å; T55-T104 HydrophobicContact CG2-CG2 3.63Å
56E91.2Very high80Confident107 Ų10765.1 Ų65.150%0.534%0.341SS..EExtended strand (participates in β ladder)trans-148.9126.8177.1-176174.1-166.300109.2V58 Q69E56-V58 HydrophobicContact CG-CG2 3.94Å; E56-Q69 HydrophobicContact CB-CB 4.38Å; E56-Q69 PolarHBondContact N-O 3.35Å; E56-Q69 WeakPolarHBondContact O-CA 3.46Å; E56-Q69 VanDerWaalsContact O-CB 3.27Å; E56-Q69 WeakPolarHBondContact O-CB 3.46Å; E56-Q69 PolarHBondContact O-N 2.67Å
57I88Confident78.7Confident35 Ų3564.3 Ų64.318%0.17933%0.333CS..EExtended strand (participates in β ladder)trans-80.6123.9167.4-69.6163.1000107.8L44 K45 Q48 E66 F68L44-I57 HydrophobicContact CB-CD1 4.4Å; K45-I57 HydrophobicContact CB-CD1 4.36Å; K45-I57 HydrophobicContact CG-CD1 3.59Å; Q48-I57 HydrophobicContact CB-CD1 4.32Å; Q48-I57 VanDerWaalsContact OE1-CD1 3.24Å; I57-E66 HydrophobicContact CG2-CB 3.83Å; I57-E66 HydrophobicContact CG2-CG 4.11Å; I57-F68 HydrophobicContact CD1-CD2 4.37Å; I57-F68 HydrophobicContact CD1-CE2 4.2Å; I57-F68 HydrophobicContact CG1-CD2 3.52Å; I57-F68 HydrophobicContact CG1-CE2 3.63Å
58V84.4Confident77.5Confident37 Ų3764 Ų6422%0.22433%0.331CS..EExtended strand (participates in β ladder)trans-118.5134.6179.9-178.30000108.8E56 F67 Q69E56-V58 HydrophobicContact CG-CG2 3.94Å; V58-F67 HydrophobicContact CB-CD1 3.87Å; V58-F67 HydrophobicContact CB-CE1 3.28Å; V58-F67 HydrophobicContact CB-CE2 4.03Å; V58-F67 HydrophobicContact CB-CZ 3.37Å; V58-F67 HydrophobicContact CG1-CD1 4.18Å; V58-F67 HydrophobicContact CG1-CE1 3.27Å; V58-F67 HydrophobicContact CG1-CZ 3.58Å; V58-F67 HydrophobicContact CG2-CE1 4.27Å; V58-F67 HydrophobicContact CG2-CE2 4.29Å; V58-F67 HydrophobicContact CG2-CZ 3.86Å; V58-F67 PolarHBondContact N-O 3.34Å; V58-F67 VanDerWaalsContact O-CD1 3.27Å; V58-F67 WeakPolarHBondContact O-CD1 3.31Å; V58-F67 PolarHBondContact O-N 2.94Å; V58-Q69 HydrophobicContact CG2-CB 4.15Å
59K74.6Confident76.6Confident131 Ų13162.2 Ų62.257%0.5732%0.323SS*.EExtended strand (participates in β ladder)trans-96.6121.7178.2-167.7177.5-178.2-175.50109.4G61K59-G61 WeakPolarHBondContact CE-O 3.39Å
60I69.6Low75.6Confident111 Ų11157.6 Ų57.657%0.56931%0.305SS*.  trans-98.9-33.8177.9-68.7169.3000111.5F67 W80I60-F67 HydrophobicContact CB-CD1 4.48Å; I60-F67 HydrophobicContact CD1-CD1 3.05Å; I60-F67 HydrophobicContact CD1-CE1 3.19Å; I60-F67 HydrophobicContact CD1-CG 3.99Å; I60-F67 HydrophobicContact CD1-CZ 4.26Å; I60-F67 HydrophobicContact CG1-CD1 3.33Å; I60-F67 HydrophobicContact CG1-CE1 3.28Å; I60-W80 HydrophobicContact CD1-CH2 3.93Å; I60-W80 HydrophobicContact CD1-CZ3 4.26Å
61G63.2Low74.4Confident22 Ų2252.2 Ų52.223%0.22729%0.285CS..  trans-115.1169.4-166.900000115.8K59 S63K59-G61 WeakPolarHBondContact CE-O 3.39Å; G61-S63 CarbonylContact C-O 3.49Å
62A58Low73.1Confident90 Ų9057.5 Ų57.574%0.74431%0.308SS*.SBendtrans-79.7-32.2169.100000112.3
63S50.1Low72Confident27 Ų2755.7 Ų55.719%0.18930%0.296CS..SBendtrans-64.3163.5163.255.30000109G61 E65G61-S63 CarbonylContact C-O 3.49Å; S63-E65 PolarHBondContact O-N 3.05Å; S63-E65 WeakPolarHBondContact OG-CG 3.25Å; S63-E65 PolarHBondContact OG-OE1 3.27Å
64Y54.3Low71.2Confident183 Ų18361.3 Ų61.372%0.71831%0.309SS*.SBendtrans-66.625.9-177.6-74.2-94.5000114.2Y41 E66Y41-Y64 PolarHBondContact OH-O 2.92Å; Y41-Y64 VanDerWaalsContact OH-O 3.11Å; Y64-E66 PolarHBondContact O-N 2.86Å
65E57.7Low70.7Confident36 Ų3667.4 Ų67.417%0.16835%0.347CS..  trans-75.9101.8178.8-70.4166.1-145.400110.6S63 P130S63-E65 PolarHBondContact O-N 3.05Å; S63-E65 WeakPolarHBondContact OG-CG 3.25Å; S63-E65 PolarHBondContact OG-OE1 3.27Å; E65-P130 HydrophobicContact CG-CG 3.75Å
66E61.2Low70.5Confident44 Ų4468.4 Ų68.421%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-104.8123.6169-66.7179.6172.400108K45 I57 Y64K45-E66 WeakPolarHBondContact CE-OE2 3.24Å; K45-E66 IonicContact NZ-OE1 3.57Å; K45-E66 IonicContact NZ-OE2 2.67Å; I57-E66 HydrophobicContact CG2-CB 3.83Å; I57-E66 HydrophobicContact CG2-CG 4.11Å; Y64-E66 PolarHBondContact O-N 2.86Å
67F63.4Low70.6Confident7 Ų772.7 Ų72.73%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-97.8155.6166.583.1-87.2000110.4V58 I60 Q69 Y123 L125V58-F67 HydrophobicContact CB-CD1 3.87Å; V58-F67 HydrophobicContact CB-CE1 3.28Å; V58-F67 HydrophobicContact CB-CE2 4.03Å; V58-F67 HydrophobicContact CB-CZ 3.37Å; V58-F67 HydrophobicContact CG1-CD1 4.18Å; V58-F67 HydrophobicContact CG1-CE1 3.27Å; V58-F67 HydrophobicContact CG1-CZ 3.58Å; V58-F67 HydrophobicContact CG2-CE1 4.27Å; V58-F67 HydrophobicContact CG2-CE2 4.29Å; V58-F67 HydrophobicContact CG2-CZ 3.86Å; V58-F67 PolarHBondContact N-O 3.34Å; V58-F67 VanDerWaalsContact O-CD1 3.27Å; V58-F67 WeakPolarHBondContact O-CD1 3.31Å; V58-F67 PolarHBondContact O-N 2.94Å; I60-F67 HydrophobicContact CB-CD1 4.48Å; I60-F67 HydrophobicContact CD1-CD1 3.05Å; I60-F67 HydrophobicContact CD1-CE1 3.19Å; I60-F67 HydrophobicContact CD1-CG 3.99Å; I60-F67 HydrophobicContact CD1-CZ 4.26Å; I60-F67 HydrophobicContact CG1-CD1 3.33Å; I60-F67 HydrophobicContact CG1-CE1 3.28Å; F67-Q69 HydrophobicContact CE2-CB 3.86Å; F67-Q69 HydrophobicContact CE2-CG 4.45Å; F67-Y123 HydrophobicContact CD2-CD1 4.07Å; F67-Y123 HydrophobicContact CD2-CG 4.45Å; F67-Y123 HydrophobicContact CE1-CD1 4.48Å; F67-Y123 AromaticContact CE2-CD1 3.09Å; F67-Y123 HydrophobicContact CE2-CD1 3.09Å; F67-Y123 AromaticContact CE2-CE1 3.75Å; F67-Y123 HydrophobicContact CE2-CE1 3.75Å; F67-Y123 AromaticContact CE2-CG 3.76Å; F67-Y123 HydrophobicContact CE2-CG 3.76Å; F67-Y123 AromaticContact CZ-CD1 3.34Å; F67-Y123 HydrophobicContact CZ-CD1 3.34Å; F67-Y123 AromaticContact CZ-CE1 3.64Å; F67-Y123 HydrophobicContact CZ-CE1 3.64Å; F67-Y123 HydrophobicContact CZ-CG 4.41Å; F67-L125 HydrophobicContact CB-CB 3.93Å; F67-L125 HydrophobicContact CB-CD1 3.87Å; F67-L125 HydrophobicContact CB-CG 4.42Å
68F67.5Low70.9Confident0 Ų075.9 Ų75.90%038%0.38CS..EExtended strand (participates in β ladder)trans-102.2113-179.5-156.1-103.1000110L44 V47 Q48 T55 I57 I70 I100 I124L44-F68 HydrophobicContact CB-CD2 3.85Å; L44-F68 HydrophobicContact CB-CE2 4.04Å; L44-F68 HydrophobicContact CD1-CB 4.48Å; L44-F68 HydrophobicContact CD1-CD2 4.41Å; L44-F68 HydrophobicContact CD2-CB 4.27Å; L44-F68 HydrophobicContact CD2-CD2 3.92Å; L44-F68 HydrophobicContact CD2-CE2 4.43Å; L44-F68 HydrophobicContact CD2-CG 4Å; L44-F68 HydrophobicContact CG-CD2 4.26Å; L44-F68 VanDerWaalsContact O-CE2 3.23Å; L44-F68 WeakPolarHBondContact O-CE2 3.43Å; V47-F68 HydrophobicContact CB-CZ 3.91Å; V47-F68 HydrophobicContact CG1-CE1 3.88Å; V47-F68 HydrophobicContact CG1-CZ 3.62Å; Q48-F68 HydrophobicContact CB-CE2 4.08Å; Q48-F68 HydrophobicContact CB-CZ 4.29Å; T55-F68 HydrophobicContact CG2-CE1 3.66Å; T55-F68 HydrophobicContact CG2-CZ 3.84Å; I57-F68 HydrophobicContact CD1-CD2 4.37Å; I57-F68 HydrophobicContact CD1-CE2 4.2Å; I57-F68 HydrophobicContact CG1-CD2 3.52Å; I57-F68 HydrophobicContact CG1-CE2 3.63Å; F68-I70 HydrophobicContact CD1-CD1 3.86Å; F68-I70 HydrophobicContact CD1-CG1 3.55Å; F68-I70 HydrophobicContact CE1-CD1 3.97Å; F68-I70 HydrophobicContact CE1-CG1 3.68Å; F68-I100 HydrophobicContact CB-CD1 3.84Å; F68-I100 HydrophobicContact CD1-CD1 3.91Å; F68-I100 HydrophobicContact CD1-CG1 4.06Å; F68-I100 HydrophobicContact CD1-CG2 3.74Å; F68-I100 HydrophobicContact CE1-CG2 3.65Å; F68-I100 HydrophobicContact CG-CD1 4.05Å; F68-I100 HydrophobicContact CZ-CG2 4.49Å; F68-I124 WeakPolarHBondContact CA-O 3.4Å; F68-I124 PolarHBondContact N-O 2.67Å; F68-I124 PolarHBondContact O-N 2.78Å
69Q72.4Confident71.3Confident27 Ų2776.4 Ų76.413%0.12638%0.383CS..EExtended strand (participates in β ladder)trans-89.8132.6173.1-168-175.2-58.900109.9T55 E56 V58 F67 F122 Y123T55-Q69 CarbonylContact C-O 3.59Å; T55-Q69 VanDerWaalsContact CA-O 3.31Å; T55-Q69 WeakPolarHBondContact CA-O 3.39Å; E56-Q69 HydrophobicContact CB-CB 4.38Å; E56-Q69 PolarHBondContact N-O 3.35Å; E56-Q69 WeakPolarHBondContact O-CA 3.46Å; E56-Q69 VanDerWaalsContact O-CB 3.27Å; E56-Q69 WeakPolarHBondContact O-CB 3.46Å; E56-Q69 PolarHBondContact O-N 2.67Å; V58-Q69 HydrophobicContact CG2-CB 4.15Å; F67-Q69 HydrophobicContact CE2-CB 3.86Å; F67-Q69 HydrophobicContact CE2-CG 4.45Å; Q69-F122 CarbonylContact C-O 3.58Å; Q69-F122 WeakPolarHBondContact CA-O 3.48Å; Q69-Y123 HydrophobicContact CG-CD2 4.39Å; Q69-Y123 HydrophobicContact CG-CE1 4.44Å; Q69-Y123 HydrophobicContact CG-CE2 4.18Å
70I71.3Confident72.2Confident0 Ų075.8 Ų75.80%038%0.377CS..EExtended strand (participates in β ladder)trans-127.2111.8172.5-51.5177.4000108.4I54 T55 F68 I100 L103 T104 V117 N121 F122 I124I54-I70 CarbonylContact O-C 3.59Å; I54-I70 VanDerWaalsContact O-CA 3.29Å; I54-I70 WeakPolarHBondContact O-CA 3.35Å; T55-I70 HydrophobicContact CG2-CG1 4.2Å; T55-I70 HydrophobicContact CG2-CG2 4.44Å; F68-I70 HydrophobicContact CD1-CD1 3.86Å; F68-I70 HydrophobicContact CD1-CG1 3.55Å; F68-I70 HydrophobicContact CE1-CD1 3.97Å; F68-I70 HydrophobicContact CE1-CG1 3.68Å; I70-I100 HydrophobicContact CD1-CB 4.13Å; I70-I100 HydrophobicContact CD1-CG1 3.99Å; I70-I100 HydrophobicContact CD1-CG2 3.98Å; I70-L103 HydrophobicContact CD1-CB 4.18Å; I70-L103 HydrophobicContact CD1-CD1 4.08Å; I70-L103 HydrophobicContact CG2-CB 4.47Å; I70-T104 HydrophobicContact CD1-CG2 4.05Å; I70-T104 HydrophobicContact CG2-CG2 4.47Å; I70-V117 HydrophobicContact CG2-CG1 4.36Å; I70-N121 CarbonylContact O-C 3.53Å; I70-F122 HydrophobicContact CB-CB 4.27Å; I70-F122 PolarHBondContact N-O 2.74Å; I70-F122 PolarHBondContact O-N 2.67Å; I70-I124 HydrophobicContact CD1-CD1 3.88Å
71G66.5Low73.4Confident9 Ų972.8 Ų72.89%0.09336%0.361CS..  trans151.4151-176.900000111.8I54 N121I54-G71 PolarHBondContact O-N 2.73Å; G71-N121 WeakPolarHBondContact CA-OD1 3.23Å
72K67.8Low74.8Confident148 Ų14875.7 Ų75.764%0.64337%0.372SS*.SBendtrans-105.7-33.9-167.1-175.5179.2179.3-177.60113.9N121K72-N121 PolarHBondContact N-OD1 3.21Å
73V70.5Confident76.4Confident56 Ų5672 Ų7234%0.33934%0.342SS..  trans-112.4112-162.7176.10000109T75 N76 N121V73-T75 WeakPolarHBondContact CG1-OG1 3.35Å; V73-T75 PolarHBondContact O-N 3.11Å; V73-N76 HydrophobicContact CB-CB 4.44Å; V73-N76 WeakPolarHBondContact CB-OD1 3.44Å; V73-N76 WeakPolarHBondContact CG1-OD1 3.11Å; V73-N76 VanDerWaalsContact O-CB 3.28Å; V73-N76 WeakPolarHBondContact O-CB 3.21Å; V73-N76 PolarHBondContact O-N 3.01Å; V73-N121 PolarHBondContact O-ND2 3Å; V73-N121 PolarHBondContact O-OD1 3.1Å
74K75.6Confident78.4Confident204 Ų20471.1 Ų71.189%0.88734%0.336SS*.THydrogen-bonded Turntrans-56.4-23.7-176.9-66.4-172.8177.2-174.30114.4
75T83.6Confident80Confident131 Ų13168 Ų6880%0.80433%0.33SS*.THydrogen-bonded Turntrans-87.4-3.5178.459.20000114.1V73V73-T75 WeakPolarHBondContact CG1-OG1 3.35Å; V73-T75 PolarHBondContact O-N 3.11Å
76N90.1Very high81.5Confident32 Ų3271 Ų7117%0.17134%0.344CS..SBendtrans-67.9154.8176.4-78.2-0.2000111.4V73 N118 K119V73-N76 HydrophobicContact CB-CB 4.44Å; V73-N76 WeakPolarHBondContact CB-OD1 3.44Å; V73-N76 WeakPolarHBondContact CG1-OD1 3.11Å; V73-N76 VanDerWaalsContact O-CB 3.28Å; V73-N76 WeakPolarHBondContact O-CB 3.21Å; V73-N76 PolarHBondContact O-N 3.01Å; N76-N118 PolarHBondContact ND2-O 2.96Å; N76-K119 WeakPolarHBondContact CB-O 3.41Å; N76-K119 VanDerWaalsContact CG-O 3.26Å; N76-K119 VanDerWaalsContact ND2-C 3.31Å; N76-K119 PolarHBondContact ND2-O 3.49Å
77R93.8Very high82.6Confident197 Ų19769 Ų6974%0.74333%0.334SS*.EExtended strand (participates in β ladder)trans-61.8142.8171-65.9179.5-177.4-178.6-0.1109.8F120 N121R77-F120 HydrophobicContact CB-CD1 3.75Å; R77-F120 HydrophobicContact CB-CE1 3.89Å; R77-F120 CarbonylContact O-C 3.55Å; R77-F120 WeakPolarHBondContact O-CA 3.28Å; R77-N121 PolarHBondContact O-N 3.16Å
78I92.4Very high83.6Confident102 Ų10273 Ų7352%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-96.7135.2-177.4-64.2174.4000109.5N121 Y123I78-N121 CarbonylContact C-O 3.59Å; I78-N121 WeakPolarHBondContact CA-O 3.39Å; I78-Y123 HydrophobicContact CB-CE2 4.43Å; I78-Y123 HydrophobicContact CD1-CE2 4.02Å; I78-Y123 HydrophobicContact CG1-CD2 4.43Å; I78-Y123 HydrophobicContact CG1-CE2 3.88Å; I78-Y123 HydrophobicContact CG2-CD2 3.53Å; I78-Y123 HydrophobicContact CG2-CE2 3.84Å; I78-Y123 HydrophobicContact CG2-CG 4.15Å
79V94.4Very high84.7Confident48 Ų4878.3 Ų78.329%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-113.5117.9166.6178.40000107I81 F120 N121 F122 Y123V79-I81 HydrophobicContact CG1-CD1 4.36Å; V79-I81 HydrophobicContact CG1-CG1 4.16Å; V79-F120 HydrophobicContact CG2-CB 4.23Å; V79-F120 HydrophobicContact CG2-CD1 3.8Å; V79-F120 HydrophobicContact CG2-CE1 4.48Å; V79-F120 HydrophobicContact CG2-CG 4.17Å; V79-N121 PolarHBondContact N-O 3.36Å; V79-F122 HydrophobicContact CB-CD1 3.66Å; V79-F122 HydrophobicContact CB-CE1 3.91Å; V79-F122 HydrophobicContact CB-CG 4.45Å; V79-F122 HydrophobicContact CG1-CD1 3.78Å; V79-F122 HydrophobicContact CG1-CE1 3.96Å; V79-F122 HydrophobicContact CG2-CD1 4.24Å; V79-F122 HydrophobicContact CG2-CE1 4.01Å; V79-F122 CarbonylContact O-C 3.51Å; V79-F122 WeakPolarHBondContact O-CA 3.3Å; V79-Y123 PolarHBondContact O-N 2.9Å
80W93.4Very high85.8Confident118 Ų11880.4 Ų80.445%0.44738%0.381SS..EExtended strand (participates in β ladder)trans-98.2131.8175.8179.4-90.7000110I60 D82 Y123 L125I60-W80 HydrophobicContact CD1-CH2 3.93Å; I60-W80 HydrophobicContact CD1-CZ3 4.26Å; W80-D82 PolarHBondContact NE1-OD2 3.1Å; W80-Y123 WeakPolarHBondContact CA-O 3.18Å; W80-Y123 VanDerWaalsContact CE3-CB 3.48Å; W80-Y123 HydrophobicContact CE3-CD1 4.47Å; W80-Y123 HydrophobicContact CE3-CG 4.32Å; W80-Y123 HydrophobicContact CZ3-CD1 4.34Å; W80-L125 HydrophobicContact CH2-CD2 4.47Å; W80-L125 HydrophobicContact CZ2-CB 4.29Å; W80-L125 HydrophobicContact CZ2-CD2 4.17Å
81I94Very high86.9Confident47 Ų4785.2 Ų85.224%0.24141%0.405CS..EExtended strand (participates in β ladder)trans-133.9120.6175.4-56.7177000107.3V79 F99 Y123 I124 L125V79-I81 HydrophobicContact CG1-CD1 4.36Å; V79-I81 HydrophobicContact CG1-CG1 4.16Å; I81-F99 HydrophobicContact CD1-CD1 3.52Å; I81-F99 HydrophobicContact CD1-CE1 3.29Å; I81-F99 HydrophobicContact CD1-CG 4.45Å; I81-F99 HydrophobicContact CD1-CZ 4.09Å; I81-Y123 PolarHBondContact N-O 2.93Å; I81-I124 HydrophobicContact CB-CG1 4.26Å; I81-I124 HydrophobicContact CB-CG2 4.35Å; I81-I124 HydrophobicContact CD1-CG1 4.35Å; I81-I124 HydrophobicContact CG2-CG2 4.43Å; I81-I124 CarbonylContact O-C 3.56Å; I81-I124 VanDerWaalsContact O-CA 3.25Å; I81-I124 WeakPolarHBondContact O-CA 3.44Å; I81-L125 PolarHBondContact O-N 3.37Å
82D92.2Very high88.3Confident84 Ų8485.9 Ų85.945%0.44941%0.413SS..EExtended strand (participates in β ladder)trans-116.1159.4169.65540.5000111.3W80 L125W80-D82 PolarHBondContact NE1-OD2 3.1Å; D82-L125 CarbonylContact C-O 3.56Å; D82-L125 WeakPolarHBondContact CA-O 3.36Å; D82-L125 HydrophobicContact CB-CB 4.32Å
83A93.3Very high89.6Confident13 Ų1378.9 Ų78.911%0.10738%0.382CS..  trans-152.5167.2176.600000110.2M85 G92 A96 L125 P126 V127 L128A83-M85 VanDerWaalsContact C-N 3.29Å; A83-M85 PolarHBondContact O-N 3.45Å; A83-G92 VanDerWaalsContact CB-C 3.5Å; A83-G92 WeakPolarHBondContact CB-O 3.45Å; A83-A96 HydrophobicContact CB-CB 3.79Å; A83-L125 PolarHBondContact N-O 3.22Å; A83-P126 CarbonylContact C-O 3.59Å; A83-P126 VanDerWaalsContact C-O 3.3Å; A83-P126 WeakPolarHBondContact CB-O 3.27Å; A83-P126 CarbonylContact O-C 3.3Å; A83-V127 WeakPolarHBondContact O-CA 3.18Å; A83-L128 PolarHBondContact O-N 2.76Å
84G90.6Very high90.8Very high7 Ų777.8 Ų77.87%0.07238%0.379CS..  trans69.125.4175.700000114.1H86 N129G84-H86 VanDerWaalsContact C-N 3.32Å; G84-N129 WeakPolarHBondContact O-CB 3.32Å; G84-N129 PolarHBondContact O-N 3.14Å; G84-N129 VanDerWaalsContact O-N 3.16Å
85M89Confident91.8Very high118 Ų11872 Ų7258%0.58136%0.361SS*.SBendtrans-60.6-47.4166.8-17817462.900109.8A83 A87 L128A83-M85 VanDerWaalsContact C-N 3.29Å; A83-M85 PolarHBondContact O-N 3.45Å; M85-A87 PolarHBondContact O-N 2.73Å; M85-L128 HydrophobicContact CB-CD2 4.01Å; M85-L128 HydrophobicContact CG-CD2 4.13Å
86H88.7Confident92.4Very high100 Ų10065.9 Ų65.946%0.46332%0.324SS..SBendtrans-88.8101168-65.4-176.1000108.7G84 R88 E89G84-H86 VanDerWaalsContact C-N 3.32Å; H86-R88 PolarHBondContact O-N 3.25Å; H86-E89 HydrophobicContact CB-CB 4.24Å; H86-E89 VanDerWaalsContact CB-CD 3.49Å; H86-E89 HydrophobicContact CB-CG 3.84Å; H86-E89 IonicContact CE1-OE1 3.66Å; H86-E89 IonicContact CG-OE1 3.99Å; H86-E89 IonicContact ND1-OE1 3.34Å; H86-E89 PolarHBondContact ND1-OE1 3.47Å; H86-E89 IonicContact ND1-OE2 3.8Å; H86-E89 PolarHBondContact O-N 3.39Å
87A84.6Confident92.6Very high1 Ų164.5 Ų64.51%0.00832%0.317CS..THydrogen-bonded Turntrans-49.4-30.6-173.800000116.2M85 W90 G132 Y133 S136 V150M85-A87 PolarHBondContact O-N 2.73Å; A87-W90 VanDerWaalsContact O-CD1 3.3Å; A87-W90 PolarHBondContact O-NE1 3.08Å; A87-G132 VanDerWaalsContact CB-O 3.29Å; A87-G132 WeakPolarHBondContact CB-O 3.34Å; A87-Y133 VanDerWaalsContact CB-N 3.3Å; A87-Y133 VanDerWaalsContact O-CD2 3.23Å; A87-Y133 WeakPolarHBondContact O-CD2 3.46Å; A87-S136 PolarHBondContact O-OG 2.82Å; A87-V150 HydrophobicContact CB-CG1 4.12Å
88R84.6Confident92.8Very high90 Ų9059.6 Ų59.634%0.3430%0.301SS..THydrogen-bonded Turntrans-91.6-2.3-177.5-174.2165.751-173.2-11.7114.1H86 W90 F145 T146 T147H86-R88 PolarHBondContact O-N 3.25Å; R88-W90 VanDerWaalsContact C-N 3.29Å; R88-W90 PolarHBondContact O-N 2.82Å; R88-W90 VanDerWaalsContact O-N 3.12Å; R88-F145 VanDerWaalsContact NH1-C 3.27Å; R88-F145 PolarHBondContact NH1-O 3.22Å; R88-T146 VanDerWaalsContact NH2-C 3.27Å; R88-T146 PolarHBondContact NH2-O 3.43Å; R88-T147 VanDerWaalsContact NH2-CA 3.32Å
89E90.8Very high93Very high112 Ų11258.3 Ų58.352%0.52329%0.292SS..  trans-89.570.1175.9-66.6177.3-164.900109.6H86 I91 G92 P93H86-E89 HydrophobicContact CB-CB 4.24Å; H86-E89 VanDerWaalsContact CB-CD 3.49Å; H86-E89 HydrophobicContact CB-CG 3.84Å; H86-E89 IonicContact CE1-OE1 3.66Å; H86-E89 IonicContact CG-OE1 3.99Å; H86-E89 IonicContact ND1-OE1 3.34Å; H86-E89 PolarHBondContact ND1-OE1 3.47Å; H86-E89 IonicContact ND1-OE2 3.8Å; H86-E89 PolarHBondContact O-N 3.39Å; E89-I91 PolarHBondContact O-N 3.5Å; E89-G92 PolarHBondContact O-N 2.71Å; E89-P93 WeakPolarHBondContact O-CD 3.34Å
90W94.5Very high93Very high71 Ų7156 Ų5627%0.26928%0.278SS..THydrogen-bonded Turntrans-62.2-20.7-170-60.8-13.6000114.5Y34 A87 R88 G92 P93 A94 Y133 S136 W137Y34-W90 HydrophobicContact CD1-CB 3.6Å; Y34-W90 HydrophobicContact CD2-CB 4.33Å; Y34-W90 AromaticContact CD2-CE3 3.7Å; Y34-W90 HydrophobicContact CD2-CE3 3.7Å; Y34-W90 HydrophobicContact CD2-CZ3 4.46Å; Y34-W90 HydrophobicContact CE1-CB 3.93Å; Y34-W90 HydrophobicContact CE2-CE3 4.46Å; Y34-W90 HydrophobicContact CG-CB 3.83Å; Y34-W90 AromaticContact CG-CE3 3.87Å; Y34-W90 HydrophobicContact CG-CE3 3.87Å; A87-W90 VanDerWaalsContact O-CD1 3.3Å; A87-W90 PolarHBondContact O-NE1 3.08Å; R88-W90 VanDerWaalsContact C-N 3.29Å; R88-W90 PolarHBondContact O-N 2.82Å; R88-W90 VanDerWaalsContact O-N 3.12Å; W90-G92 VanDerWaalsContact C-N 3.25Å; W90-G92 PolarHBondContact O-N 3.05Å; W90-P93 WeakPolarHBondContact O-CD 3.48Å; W90-A94 WeakPolarHBondContact O-CB 3.48Å; W90-A94 PolarHBondContact O-N 2.92Å; W90-A94 VanDerWaalsContact O-N 3.15Å; W90-Y133 AromaticContact CD1-CE2 3.56Å; W90-Y133 HydrophobicContact CG-CE2 4.27Å; W90-S136 PolarHBondContact NE1-OG 3.36Å; W90-W137 HydrophobicContact CE3-CZ2 4.46Å; W90-W137 HydrophobicContact CZ2-CD2 4.46Å; W90-W137 HydrophobicContact CZ3-CZ2 4.45Å
91I94.8Very high93.1Very high101 Ų10151.5 Ų51.552%0.51826%0.262SS..Hα-helixtrans-63.1-31.2173.3-168.258.2000112.5Y34 E89 T95Y34-I91 HydrophobicContact CE1-CB 4.47Å; Y34-I91 HydrophobicContact CE1-CD1 4.41Å; E89-I91 PolarHBondContact O-N 3.5Å; I91-T95 VanDerWaalsContact O-CB 3.29Å; I91-T95 WeakPolarHBondContact O-CB 3.28Å; I91-T95 PolarHBondContact O-N 2.88Å; I91-T95 PolarHBondContact O-OG1 2.99Å
92G95.5Very high93.3Very high24 Ų2452.5 Ų52.525%0.24727%0.266CS..Hα-helixtrans-61.7-62.4176.700000111.7A83 E89 W90 A94 T95 A96A83-G92 VanDerWaalsContact CB-C 3.5Å; A83-G92 WeakPolarHBondContact CB-O 3.45Å; E89-G92 PolarHBondContact O-N 2.71Å; W90-G92 VanDerWaalsContact C-N 3.25Å; W90-G92 PolarHBondContact O-N 3.05Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.28Å; G92-T95 WeakPolarHBondContact O-CB 3.43Å; G92-T95 PolarHBondContact O-N 3.35Å; G92-T95 VanDerWaalsContact O-N 3.1Å; G92-A96 PolarHBondContact O-N 3.43Å
93P95.2Very high93.5Very high0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-54.2-43175.9-3037.4000113.3I40 E89 W90 T95 A96 V97 P126 V127 Y133I40-P93 HydrophobicContact CD1-CB 4.35Å; E89-P93 WeakPolarHBondContact O-CD 3.34Å; W90-P93 WeakPolarHBondContact O-CD 3.48Å; P93-T95 VanDerWaalsContact C-N 3.34Å; P93-T95 PolarHBondContact O-N 3.26Å; P93-A96 PolarHBondContact O-N 2.99Å; P93-V97 VanDerWaalsContact O-CG2 3.27Å; P93-V97 WeakPolarHBondContact O-CG2 3.39Å; P93-V97 PolarHBondContact O-N 2.78Å; P93-P126 WeakPolarHBondContact CA-O 3.37Å; P93-P126 WeakPolarHBondContact CB-O 3.47Å; P93-P126 WeakPolarHBondContact CG-O 3.42Å; P93-V127 HydrophobicContact CB-CG2 4.06Å; P93-V127 HydrophobicContact CG-CG2 4.28Å; P93-Y133 HydrophobicContact CB-CE2 4.15Å; P93-Y133 HydrophobicContact CG-CD2 4.16Å; P93-Y133 HydrophobicContact CG-CE2 3.74Å
94A95.7Very high93.6Very high34 Ų3448.2 Ų48.228%0.28124%0.241SC..Hα-helixtrans-59.4-44176.500000112.2Y34 W90 G92 V97 F98Y34-A94 HydrophobicContact CD1-CB 4.02Å; Y34-A94 HydrophobicContact CE1-CB 4.06Å; W90-A94 WeakPolarHBondContact O-CB 3.48Å; W90-A94 PolarHBondContact O-N 2.92Å; W90-A94 VanDerWaalsContact O-N 3.15Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.28Å; A94-V97 PolarHBondContact O-N 3.2Å; A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 PolarHBondContact O-N 3.43Å
95T96.5Very high93.8Very high81 Ų8149.9 Ų49.950%0.49725%0.247SC..Hα-helixtrans-63.8-43.6177.9-57.70000111.7I91 G92 P93 F98 F99I91-T95 VanDerWaalsContact O-CB 3.29Å; I91-T95 WeakPolarHBondContact O-CB 3.28Å; I91-T95 PolarHBondContact O-N 2.88Å; I91-T95 PolarHBondContact O-OG1 2.99Å; G92-T95 WeakPolarHBondContact O-CB 3.43Å; G92-T95 PolarHBondContact O-N 3.35Å; G92-T95 VanDerWaalsContact O-N 3.1Å; P93-T95 VanDerWaalsContact C-N 3.34Å; P93-T95 PolarHBondContact O-N 3.26Å; T95-F98 PolarHBondContact O-N 3.19Å; T95-F99 WeakPolarHBondContact O-CB 3.5Å; T95-F99 PolarHBondContact O-N 3.47Å
96A95.9Very high94.2Very high4 Ų445.6 Ų45.63%0.03323%0.227CC..Hα-helixtrans-63.4-43.3177.800000111.9A83 G92 P93 F99 I100 I124 P126A83-A96 HydrophobicContact CB-CB 3.79Å; G92-A96 PolarHBondContact O-N 3.43Å; P93-A96 PolarHBondContact O-N 2.99Å; A96-F99 WeakPolarHBondContact O-CB 3.48Å; A96-F99 PolarHBondContact O-N 3.36Å; A96-I100 WeakPolarHBondContact O-CG1 3.44Å; A96-I100 PolarHBondContact O-N 3.13Å; A96-I124 HydrophobicContact CB-CG2 4.07Å; A96-P126 HydrophobicContact CB-CB 3.97Å; A96-P126 HydrophobicContact CB-CG 4.32Å
97V95.5Very high94.5Very high2 Ų243.8 Ų43.81%0.01222%0.216CC..Hα-helixtrans-65.4-39176.1178.20000111.5F29 F31 I40 Y43 P93 A94 I100 N101 P126F29-V97 HydrophobicContact CE1-CG1 3.77Å; F29-V97 HydrophobicContact CZ-CG1 3.76Å; F31-V97 HydrophobicContact CE1-CG1 4.15Å; I40-V97 HydrophobicContact CG2-CG2 3.84Å; Y43-V97 HydrophobicContact CD1-CG1 3.42Å; Y43-V97 VanDerWaalsContact CD1-CG1 3.42Å; Y43-V97 HydrophobicContact CE1-CG1 3.4Å; Y43-V97 HydrophobicContact CG-CG1 4.39Å; P93-V97 VanDerWaalsContact O-CG2 3.27Å; P93-V97 WeakPolarHBondContact O-CG2 3.39Å; P93-V97 PolarHBondContact O-N 2.78Å; A94-V97 PolarHBondContact O-N 3.2Å; V97-I100 WeakPolarHBondContact O-CB 3.4Å; V97-I100 PolarHBondContact O-N 2.97Å; V97-N101 PolarHBondContact O-N 2.86Å; V97-P126 HydrophobicContact CG2-CB 3.86Å; V97-P126 HydrophobicContact CG2-CG 4.17Å
98F96.3Very high95Very high94 Ų9446.7 Ų46.741%0.41225%0.246SC..Hα-helixtrans-63.6-40.5173.2-178.3-101000111.9F31 A94 T95 I100 N101 Q102F31-F98 HydrophobicContact CB-CD2 4.34Å; F31-F98 HydrophobicContact CD1-CB 4.07Å; F31-F98 AromaticContact CD1-CD2 3.68Å; F31-F98 HydrophobicContact CD1-CD2 3.68Å; F31-F98 HydrophobicContact CD1-CG 4.38Å; F31-F98 HydrophobicContact CE1-CB 4.24Å; F31-F98 HydrophobicContact CE1-CD2 4.18Å; F31-F98 HydrophobicContact CG-CD2 4.02Å; A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 PolarHBondContact O-N 3.43Å; T95-F98 PolarHBondContact O-N 3.19Å; F98-I100 VanDerWaalsContact C-N 3.33Å; F98-I100 PolarHBondContact O-N 3.13Å; F98-N101 WeakPolarHBondContact O-CA 3.32Å; F98-N101 VanDerWaalsContact O-CB 3.28Å; F98-N101 WeakPolarHBondContact O-CB 3.43Å; F98-N101 PolarHBondContact O-N 3.24Å; F98-N101 VanDerWaalsContact O-N 3.1Å; F98-Q102 HydrophobicContact CD1-CG 3.93Å; F98-Q102 HydrophobicContact CE1-CG 3.47Å; F98-Q102 VanDerWaalsContact CE1-CG 3.47Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CG-CG 4.49Å; F98-Q102 HydrophobicContact CZ-CG 3.65Å; F98-Q102 VanDerWaalsContact CZ-NE2 3.28Å; F98-Q102 WeakPolarHBondContact O-CG 3.39Å; F98-Q102 PolarHBondContact O-N 3.02Å
99F96.7Very high95.7Very high75 Ų7548.9 Ų48.933%0.32926%0.258SS..Hα-helixtrans-62-41.4176.2-164.7-108.3000111.8I81 T95 A96 N101 Q102 L103 F122 I124I81-F99 HydrophobicContact CD1-CD1 3.52Å; I81-F99 HydrophobicContact CD1-CE1 3.29Å; I81-F99 HydrophobicContact CD1-CG 4.45Å; I81-F99 HydrophobicContact CD1-CZ 4.09Å; T95-F99 WeakPolarHBondContact O-CB 3.5Å; T95-F99 PolarHBondContact O-N 3.47Å; A96-F99 WeakPolarHBondContact O-CB 3.48Å; A96-F99 PolarHBondContact O-N 3.36Å; F99-N101 VanDerWaalsContact C-N 3.33Å; F99-N101 PolarHBondContact O-N 3.44Å; F99-Q102 PolarHBondContact O-N 3.38Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CG 4.33Å; F99-L103 HydrophobicContact CE1-CD1 3.52Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CZ-CD1 4.21Å; F99-L103 HydrophobicContact CZ-CD2 4.42Å; F99-L103 HydrophobicContact CZ-CG 4.39Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 2.85Å; F99-F122 AromaticContact CE1-CD1 3.96Å; F99-F122 HydrophobicContact CE1-CD1 3.96Å; F99-F122 HydrophobicContact CE1-CE1 4.14Å; F99-F122 HydrophobicContact CZ-CE1 4.28Å; F99-I124 HydrophobicContact CD1-CD1 3.76Å; F99-I124 HydrophobicContact CE1-CD1 4.33Å
100I95.9Very high96Very high0 Ų046.8 Ų46.80%025%0.25CS..Hα-helixtrans-57.4-45.7171.2-68.6168000110.9L44 V47 F68 I70 A96 V97 F98 L103 T104 I124 P126L44-I100 HydrophobicContact CD2-CD1 3.51Å; L44-I100 HydrophobicContact CD2-CG2 4.39Å; V47-I100 HydrophobicContact CG1-CG2 4.1Å; F68-I100 HydrophobicContact CB-CD1 3.84Å; F68-I100 HydrophobicContact CD1-CD1 3.91Å; F68-I100 HydrophobicContact CD1-CG1 4.06Å; F68-I100 HydrophobicContact CD1-CG2 3.74Å; F68-I100 HydrophobicContact CE1-CG2 3.65Å; F68-I100 HydrophobicContact CG-CD1 4.05Å; F68-I100 HydrophobicContact CZ-CG2 4.49Å; I70-I100 HydrophobicContact CD1-CB 4.13Å; I70-I100 HydrophobicContact CD1-CG1 3.99Å; I70-I100 HydrophobicContact CD1-CG2 3.98Å; A96-I100 WeakPolarHBondContact O-CG1 3.44Å; A96-I100 PolarHBondContact O-N 3.13Å; V97-I100 WeakPolarHBondContact O-CB 3.4Å; V97-I100 PolarHBondContact O-N 2.97Å; F98-I100 VanDerWaalsContact C-N 3.33Å; F98-I100 PolarHBondContact O-N 3.13Å; I100-L103 PolarHBondContact O-N 2.91Å; I100-T104 WeakPolarHBondContact O-CB 3.35Å; I100-T104 WeakPolarHBondContact O-CG2 3.5Å; I100-T104 PolarHBondContact O-N 2.87Å; I100-T104 VanDerWaalsContact O-N 3.08Å; I100-T104 PolarHBondContact O-OG1 2.91Å; I100-I124 HydrophobicContact CD1-CB 4.12Å; I100-I124 HydrophobicContact CD1-CG2 3.82Å; I100-I124 HydrophobicContact CG1-CB 4.11Å; I100-I124 HydrophobicContact CG1-CD1 3.57Å; I100-I124 HydrophobicContact CG1-CG1 4.45Å; I100-I124 HydrophobicContact CG1-CG2 3.93Å; I100-P126 HydrophobicContact CD1-CG 3.79Å
101N95.8Very high96.2Very high23 Ų2348.4 Ų48.412%0.12327%0.27CS..Hα-helixtrans-58.3-50.2176.2-175.2-96.2000111.6F31 Y43 V97 F98 F99 L103 T104 E105F31-N101 HydrophobicContact CE1-CB 3.93Å; F31-N101 HydrophobicContact CE2-CB 4.2Å; F31-N101 HydrophobicContact CZ-CB 3.48Å; F31-N101 VanDerWaalsContact CZ-CB 3.48Å; Y43-N101 VanDerWaalsContact OH-CB 3.23Å; Y43-N101 WeakPolarHBondContact OH-CB 3.44Å; Y43-N101 PolarHBondContact OH-ND2 3.44Å; V97-N101 PolarHBondContact O-N 2.86Å; F98-N101 WeakPolarHBondContact O-CA 3.32Å; F98-N101 VanDerWaalsContact O-CB 3.28Å; F98-N101 WeakPolarHBondContact O-CB 3.43Å; F98-N101 PolarHBondContact O-N 3.24Å; F98-N101 VanDerWaalsContact O-N 3.1Å; F99-N101 VanDerWaalsContact C-N 3.33Å; F99-N101 PolarHBondContact O-N 3.44Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-L103 PolarHBondContact O-N 2.82Å; N101-T104 PolarHBondContact O-N 3.38Å; N101-T104 PolarHBondContact O-OG1 2.99Å; N101-E105 WeakPolarHBondContact ND2-CG 3.4Å; N101-E105 WeakPolarHBondContact O-CB 3.49Å; N101-E105 PolarHBondContact O-N 2.91Å
102Q96.5Very high96.3Very high69 Ų6948 Ų4832%0.32227%0.272SS..Hα-helixtrans-62.9-39.3-177.9-68.5-56.4-51.200112.6F98 F99 N106F98-Q102 HydrophobicContact CD1-CG 3.93Å; F98-Q102 HydrophobicContact CE1-CG 3.47Å; F98-Q102 VanDerWaalsContact CE1-CG 3.47Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CG-CG 4.49Å; F98-Q102 HydrophobicContact CZ-CG 3.65Å; F98-Q102 VanDerWaalsContact CZ-NE2 3.28Å; F98-Q102 WeakPolarHBondContact O-CG 3.39Å; F98-Q102 PolarHBondContact O-N 3.02Å; F99-Q102 PolarHBondContact O-N 3.38Å; Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.39Å; Q102-N106 PolarHBondContact O-N 3.01Å; Q102-N106 PolarHBondContact O-ND2 3.21Å; Q102-N106 PolarHBondContact OE1-ND2 3.46Å
103L96.7Very high96.3Very high7 Ų748 Ų484%0.03727%0.267CS..Hα-helixtrans-68.5-36.8176.9-70.6179.2000112.6I70 F99 I100 N101 V113 V117 F122 I124I70-L103 HydrophobicContact CD1-CB 4.18Å; I70-L103 HydrophobicContact CD1-CD1 4.08Å; I70-L103 HydrophobicContact CG2-CB 4.47Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CG 4.33Å; F99-L103 HydrophobicContact CE1-CD1 3.52Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CZ-CD1 4.21Å; F99-L103 HydrophobicContact CZ-CD2 4.42Å; F99-L103 HydrophobicContact CZ-CG 4.39Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 2.85Å; I100-L103 PolarHBondContact O-N 2.91Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-L103 PolarHBondContact O-N 2.82Å; L103-V113 HydrophobicContact CD2-CG1 4.28Å; L103-V117 HydrophobicContact CB-CG2 4.31Å; L103-V117 HydrophobicContact CD2-CG2 4.14Å; L103-F122 HydrophobicContact CD1-CB 4.14Å; L103-F122 HydrophobicContact CD1-CD1 4.03Å; L103-F122 HydrophobicContact CD1-CD2 3.78Å; L103-F122 HydrophobicContact CD1-CE1 4.4Å; L103-F122 HydrophobicContact CD1-CE2 4.17Å; L103-F122 HydrophobicContact CD1-CG 3.7Å; L103-F122 HydrophobicContact CD1-CZ 4.47Å; L103-F122 HydrophobicContact CD2-CE2 4.27Å; L103-F122 HydrophobicContact CD2-CZ 4.37Å; L103-I124 HydrophobicContact CD1-CD1 4.12Å
104T95.5Very high96.4Very high0 Ų049.3 Ų49.30%028%0.275CS..Hα-helixtrans-87.2-49-174.353.30000113.2V47 Y51 I54 T55 I70 I100 N101 N106 Y107V47-T104 HydrophobicContact CG1-CG2 3.69Å; Y51-T104 HydrophobicContact CD2-CG2 4.29Å; I54-T104 HydrophobicContact CD1-CG2 4.48Å; T55-T104 HydrophobicContact CG2-CG2 3.63Å; I70-T104 HydrophobicContact CD1-CG2 4.05Å; I70-T104 HydrophobicContact CG2-CG2 4.47Å; I100-T104 WeakPolarHBondContact O-CB 3.35Å; I100-T104 WeakPolarHBondContact O-CG2 3.5Å; I100-T104 PolarHBondContact O-N 2.87Å; I100-T104 VanDerWaalsContact O-N 3.08Å; I100-T104 PolarHBondContact O-OG1 2.91Å; N101-T104 PolarHBondContact O-N 3.38Å; N101-T104 PolarHBondContact O-OG1 2.99Å; T104-N106 VanDerWaalsContact C-N 3.26Å; T104-N106 PolarHBondContact O-N 3.33Å; T104-Y107 PolarHBondContact O-N 2.93Å
105E95.2Very high96.4Very high41 Ų4152.5 Ų52.519%0.19228%0.284CS..Hα-helixtrans-65.2-29.4-179.5-74.3-60.4137.100112.7K50 Y51 N101 K109K50-E105 WeakPolarHBondContact CE-OE1 3.41Å; K50-E105 IonicContact NZ-OE1 2.76Å; K50-E105 PolarHBondContact NZ-OE1 3.37Å; K50-E105 IonicContact NZ-OE2 3.52Å; K50-E105 PolarHBondContact NZ-OE2 3.33Å; Y51-E105 WeakPolarHBondContact CE2-OE1 3.49Å; Y51-E105 PolarHBondContact OH-OE1 3.26Å; Y51-E105 PolarHBondContact OH-OE2 3.35Å; N101-E105 WeakPolarHBondContact ND2-CG 3.4Å; N101-E105 WeakPolarHBondContact O-CB 3.49Å; N101-E105 PolarHBondContact O-N 2.91Å; E105-K109 WeakPolarHBondContact O-CD 3.39Å; E105-K109 WeakPolarHBondContact O-CE 3.26Å; E105-K109 PolarHBondContact O-NZ 3.17Å; E105-K109 IonicContact OE2-NZ 3.86Å
106N96.7Very high96.4Very high29 Ų2951.9 Ų51.916%0.15528%0.278CS..THydrogen-bonded Turntrans-95.4-2.9-179.7-61.1-54.6000113.7Q102 T104 G108 K109 I110 V113Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.39Å; Q102-N106 PolarHBondContact O-N 3.01Å; Q102-N106 PolarHBondContact O-ND2 3.21Å; Q102-N106 PolarHBondContact OE1-ND2 3.46Å; T104-N106 VanDerWaalsContact C-N 3.26Å; T104-N106 PolarHBondContact O-N 3.33Å; N106-G108 PolarHBondContact O-N 2.86Å; N106-K109 PolarHBondContact O-N 3.31Å; N106-I110 HydrophobicContact CB-CB 4.18Å; N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 HydrophobicContact CB-CG1 3.93Å; N106-I110 PolarHBondContact O-N 3.34Å; N106-I110 WeakPolarHBondContact OD1-CD1 3.47Å; N106-V113 HydrophobicContact CB-CB 4.13Å; N106-V113 HydrophobicContact CB-CG1 4.04Å; N106-V113 HydrophobicContact CB-CG2 4.02Å
107Y96.1Very high96.3Very high61 Ų6151.7 Ų51.724%0.23928%0.276CS..THydrogen-bonded Turntrans-64.2127.5175.2-174.7-102000110.8I54 T104 K109 T114 V117 N118I54-Y107 HydrophobicContact CD1-CD1 3.71Å; I54-Y107 HydrophobicContact CD1-CD2 4.19Å; I54-Y107 HydrophobicContact CD1-CE1 4.37Å; I54-Y107 HydrophobicContact CD1-CG 3.59Å; I54-Y107 HydrophobicContact CG2-CD1 4.09Å; I54-Y107 HydrophobicContact CG2-CE1 3.65Å; I54-Y107 HydrophobicContact CG2-CE2 4.26Å; T104-Y107 PolarHBondContact O-N 2.93Å; Y107-K109 PolarHBondContact O-N 2.97Å; Y107-T114 HydrophobicContact CD2-CG2 4.17Å; Y107-T114 HydrophobicContact CE2-CG2 3.85Å; Y107-V117 HydrophobicContact CD2-CB 3.68Å; Y107-V117 HydrophobicContact CD2-CG1 3.64Å; Y107-V117 HydrophobicContact CD2-CG2 4.13Å; Y107-V117 HydrophobicContact CE2-CB 3.81Å; Y107-V117 HydrophobicContact CE2-CG1 3.6Å; Y107-N118 WeakPolarHBondContact CE2-OD1 3.43Å; Y107-N118 PolarHBondContact OH-OD1 3.22Å
108G95.6Very high96.3Very high62 Ų6255 Ų5564%0.63929%0.294SS*.THydrogen-bonded Turntrans76.2-2.9-174.300000114.7N106 T114N106-G108 PolarHBondContact O-N 2.86Å; G108-T114 PolarHBondContact N-OG1 2.88Å
109K97.6Very high96.2Very high136 Ų13656.1 Ų56.159%0.59130%0.298SS*.THydrogen-bonded Turntrans-108.4-47.7176.8-56.5-178.2-166.7155.20111.8E105 N106 Y107E105-K109 WeakPolarHBondContact O-CD 3.39Å; E105-K109 WeakPolarHBondContact O-CE 3.26Å; E105-K109 PolarHBondContact O-NZ 3.17Å; E105-K109 IonicContact OE2-NZ 3.86Å; N106-K109 PolarHBondContact O-N 3.31Å; Y107-K109 PolarHBondContact O-N 2.97Å
110I97.9Very high96.2Very high69 Ų6955.2 Ų55.235%0.35429%0.294SS..SBendtrans-103.1119.5177.9-58.6-176.8000108.5N106 T112 V113 T114N106-I110 HydrophobicContact CB-CB 4.18Å; N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 HydrophobicContact CB-CG1 3.93Å; N106-I110 PolarHBondContact O-N 3.34Å; N106-I110 WeakPolarHBondContact OD1-CD1 3.47Å; I110-T112 VanDerWaalsContact C-N 3.34Å; I110-T112 PolarHBondContact O-N 2.96Å; I110-V113 HydrophobicContact CB-CB 4.22Å; I110-V113 HydrophobicContact CB-CG2 4.05Å; I110-V113 HydrophobicContact CG2-CB 4.48Å; I110-V113 HydrophobicContact CG2-CG2 4.02Å; I110-V113 PolarHBondContact O-N 3.26Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 3.29Å
111P98Very high96.1Very high105 Ų10555.3 Ų55.368%0.68230%0.295SS*.Hα-helixtrans-55-45-177.9-29.436.1000113.5V113 T114 E115P111-V113 PolarHBondContact O-N 3.32Å; P111-T114 WeakPolarHBondContact O-CB 3.41Å; P111-T114 PolarHBondContact O-N 3.46Å; P111-E115 WeakPolarHBondContact O-CB 3.23Å; P111-E115 PolarHBondContact O-N 3.33Å
112T97.6Very high96.1Very high93 Ų9354.7 Ų54.757%0.57129%0.291SS*.Hα-helixtrans-63-42.7-179.4-45.70000112.6I110 T114 E115 L116I110-T112 VanDerWaalsContact C-N 3.34Å; I110-T112 PolarHBondContact O-N 2.96Å; T112-T114 VanDerWaalsContact C-N 3.34Å; T112-E115 PolarHBondContact O-N 2.98Å; T112-L116 WeakPolarHBondContact O-CG 3.31Å; T112-L116 PolarHBondContact O-N 3.31Å
113V96.4Very high95.9Very high23 Ų2353.8 Ų53.814%0.13929%0.285CS..Hα-helixtrans-66-41.6176.8177.10000110.5L103 N106 I110 P111 E115 L116 V117L103-V113 HydrophobicContact CD2-CG1 4.28Å; N106-V113 HydrophobicContact CB-CB 4.13Å; N106-V113 HydrophobicContact CB-CG1 4.04Å; N106-V113 HydrophobicContact CB-CG2 4.02Å; I110-V113 HydrophobicContact CB-CB 4.22Å; I110-V113 HydrophobicContact CB-CG2 4.05Å; I110-V113 HydrophobicContact CG2-CB 4.48Å; I110-V113 HydrophobicContact CG2-CG2 4.02Å; I110-V113 PolarHBondContact O-N 3.26Å; P111-V113 PolarHBondContact O-N 3.32Å; V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 PolarHBondContact O-N 3.4Å; V113-L116 WeakPolarHBondContact O-CB 3.32Å; V113-L116 PolarHBondContact O-N 3.43Å; V113-V117 HydrophobicContact CG1-CG2 4.39Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 2.87Å
114T96.5Very high95.8Very high28 Ų2853.5 Ų53.517%0.17228%0.283CS..Hα-helixtrans-61.2-43.2177.7-53.70000111.2Y107 G108 I110 P111 T112 N118Y107-T114 HydrophobicContact CD2-CG2 4.17Å; Y107-T114 HydrophobicContact CE2-CG2 3.85Å; G108-T114 PolarHBondContact N-OG1 2.88Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 3.29Å; P111-T114 WeakPolarHBondContact O-CB 3.41Å; P111-T114 PolarHBondContact O-N 3.46Å; T112-T114 VanDerWaalsContact C-N 3.34Å; T114-N118 VanDerWaalsContact O-CB 3.3Å; T114-N118 WeakPolarHBondContact O-CB 2.83Å; T114-N118 PolarHBondContact O-N 2.88Å; T114-N118 PolarHBondContact O-ND2 3.26Å
115E95.8Very high95.6Very high100 Ų10053.9 Ų53.947%0.46729%0.286SS..Hα-helixtrans-61.9-44.5174.8-174.1-179.1170.300111.9P111 T112 V113 N118 K119P111-E115 WeakPolarHBondContact O-CB 3.23Å; P111-E115 PolarHBondContact O-N 3.33Å; T112-E115 PolarHBondContact O-N 2.98Å; V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 PolarHBondContact O-N 3.4Å; E115-N118 PolarHBondContact O-N 3.32Å; E115-K119 HydrophobicContact CG-CD 3.91Å; E115-K119 HydrophobicContact CG-CG 4.43Å; E115-K119 WeakPolarHBondContact O-CB 3.44Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 2.75Å; E115-K119 VanDerWaalsContact OE1-CE 3.28Å; E115-K119 WeakPolarHBondContact OE1-CE 3.23Å; E115-K119 IonicContact OE1-NZ 2.59Å; E115-K119 PolarHBondContact OE1-NZ 2.95Å
116L95.5Very high95.6Very high69 Ų6952 Ų5236%0.36128%0.277SS..Hα-helixtrans-59-51.5176.8-74.4170.9000111.9T112 V113 N118 K119 F120 F122T112-L116 WeakPolarHBondContact O-CG 3.31Å; T112-L116 PolarHBondContact O-N 3.31Å; V113-L116 WeakPolarHBondContact O-CB 3.32Å; V113-L116 PolarHBondContact O-N 3.43Å; L116-N118 PolarHBondContact O-N 3.32Å; L116-K119 PolarHBondContact O-N 3.21Å; L116-K119 VanDerWaalsContact O-N 3.15Å; L116-F120 HydrophobicContact CD2-CD2 4.18Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 PolarHBondContact O-N 2.98Å; L116-F122 HydrophobicContact CB-CZ 4.37Å
117V95.4Very high95.3Very high0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-64.6-29.3179.51740000112I54 I70 L103 Y107 V113I54-V117 HydrophobicContact CB-CG1 4.32Å; I54-V117 HydrophobicContact CD1-CG1 4.48Å; I54-V117 HydrophobicContact CG2-CG1 4.37Å; I70-V117 HydrophobicContact CG2-CG1 4.36Å; L103-V117 HydrophobicContact CB-CG2 4.31Å; L103-V117 HydrophobicContact CD2-CG2 4.14Å; Y107-V117 HydrophobicContact CD2-CB 3.68Å; Y107-V117 HydrophobicContact CD2-CG1 3.64Å; Y107-V117 HydrophobicContact CD2-CG2 4.13Å; Y107-V117 HydrophobicContact CE2-CB 3.81Å; Y107-V117 HydrophobicContact CE2-CG1 3.6Å; V113-V117 HydrophobicContact CG1-CG2 4.39Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 2.87Å
118N94.8Very high95Very high71 Ų7150.5 Ų50.538%0.3827%0.273SS..Hα-helixtrans-78.9-26176.2-71.7-19.9000113.1N76 Y107 T114 E115 L116N76-N118 PolarHBondContact ND2-O 2.96Å; Y107-N118 WeakPolarHBondContact CE2-OD1 3.43Å; Y107-N118 PolarHBondContact OH-OD1 3.22Å; T114-N118 VanDerWaalsContact O-CB 3.3Å; T114-N118 WeakPolarHBondContact O-CB 2.83Å; T114-N118 PolarHBondContact O-N 2.88Å; T114-N118 PolarHBondContact O-ND2 3.26Å; E115-N118 PolarHBondContact O-N 3.32Å; L116-N118 PolarHBondContact O-N 3.32Å
119K95Very high94.6Very high117 Ų11748.4 Ų48.451%0.50925%0.247SC..Hα-helixtrans-95.4-26.8-177.9-75.1-175.9175.4179.80114.5N76 E115 L116N76-K119 WeakPolarHBondContact CB-O 3.41Å; N76-K119 VanDerWaalsContact CG-O 3.26Å; N76-K119 VanDerWaalsContact ND2-C 3.31Å; N76-K119 PolarHBondContact ND2-O 3.49Å; E115-K119 HydrophobicContact CG-CD 3.91Å; E115-K119 HydrophobicContact CG-CG 4.43Å; E115-K119 WeakPolarHBondContact O-CB 3.44Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 2.75Å; E115-K119 VanDerWaalsContact OE1-CE 3.28Å; E115-K119 WeakPolarHBondContact OE1-CE 3.23Å; E115-K119 IonicContact OE1-NZ 2.59Å; E115-K119 PolarHBondContact OE1-NZ 2.95Å; L116-K119 PolarHBondContact O-N 3.21Å; L116-K119 VanDerWaalsContact O-N 3.15Å
120F96.1Very high94.2Very high56 Ų5642.1 Ų42.125%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-123.2152.5-176.3-63.5-84.1000111.5R77 V79 L116 F122R77-F120 HydrophobicContact CB-CD1 3.75Å; R77-F120 HydrophobicContact CB-CE1 3.89Å; R77-F120 CarbonylContact O-C 3.55Å; R77-F120 WeakPolarHBondContact O-CA 3.28Å; V79-F120 HydrophobicContact CG2-CB 4.23Å; V79-F120 HydrophobicContact CG2-CD1 3.8Å; V79-F120 HydrophobicContact CG2-CE1 4.48Å; V79-F120 HydrophobicContact CG2-CG 4.17Å; L116-F120 HydrophobicContact CD2-CD2 4.18Å; L116-F120 HydrophobicContact CD2-CE2 4.14Å; L116-F120 PolarHBondContact O-N 2.98Å; F120-F122 HydrophobicContact CB-CD2 4.36Å; F120-F122 HydrophobicContact CB-CE2 3.81Å; F120-F122 HydrophobicContact CB-CZ 3.98Å
121N93.3Very high93.6Very high2 Ų242.2 Ų42.21%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-103.7117.7161.2-63-30.3000108.5I70 G71 K72 V73 R77 I78 V79 Y123I70-N121 CarbonylContact O-C 3.53Å; G71-N121 WeakPolarHBondContact CA-OD1 3.23Å; K72-N121 PolarHBondContact N-OD1 3.21Å; V73-N121 PolarHBondContact O-ND2 3Å; V73-N121 PolarHBondContact O-OD1 3.1Å; R77-N121 PolarHBondContact O-N 3.16Å; I78-N121 CarbonylContact C-O 3.59Å; I78-N121 WeakPolarHBondContact CA-O 3.39Å; V79-N121 PolarHBondContact N-O 3.36Å; N121-Y123 HydrophobicContact CB-CD2 4.21Å; N121-Y123 HydrophobicContact CB-CE2 3.66Å
122F95.4Very high93.1Very high11 Ų1137.3 Ų37.35%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-89.3124.8174.5-60.7-90.8000109.5Q69 I70 V79 F99 L103 L116 F120 I124Q69-F122 CarbonylContact C-O 3.58Å; Q69-F122 WeakPolarHBondContact CA-O 3.48Å; I70-F122 HydrophobicContact CB-CB 4.27Å; I70-F122 PolarHBondContact N-O 2.74Å; I70-F122 PolarHBondContact O-N 2.67Å; V79-F122 HydrophobicContact CB-CD1 3.66Å; V79-F122 HydrophobicContact CB-CE1 3.91Å; V79-F122 HydrophobicContact CB-CG 4.45Å; V79-F122 HydrophobicContact CG1-CD1 3.78Å; V79-F122 HydrophobicContact CG1-CE1 3.96Å; V79-F122 HydrophobicContact CG2-CD1 4.24Å; V79-F122 HydrophobicContact CG2-CE1 4.01Å; V79-F122 CarbonylContact O-C 3.51Å; V79-F122 WeakPolarHBondContact O-CA 3.3Å; F99-F122 AromaticContact CE1-CD1 3.96Å; F99-F122 HydrophobicContact CE1-CD1 3.96Å; F99-F122 HydrophobicContact CE1-CE1 4.14Å; F99-F122 HydrophobicContact CZ-CE1 4.28Å; L103-F122 HydrophobicContact CD1-CB 4.14Å; L103-F122 HydrophobicContact CD1-CD1 4.03Å; L103-F122 HydrophobicContact CD1-CD2 3.78Å; L103-F122 HydrophobicContact CD1-CE1 4.4Å; L103-F122 HydrophobicContact CD1-CE2 4.17Å; L103-F122 HydrophobicContact CD1-CG 3.7Å; L103-F122 HydrophobicContact CD1-CZ 4.47Å; L103-F122 HydrophobicContact CD2-CE2 4.27Å; L103-F122 HydrophobicContact CD2-CZ 4.37Å; L116-F122 HydrophobicContact CB-CZ 4.37Å; F120-F122 HydrophobicContact CB-CD2 4.36Å; F120-F122 HydrophobicContact CB-CE2 3.81Å; F120-F122 HydrophobicContact CB-CZ 3.98Å; F122-I124 HydrophobicContact CB-CD1 4.08Å; F122-I124 HydrophobicContact CB-CG1 4.12Å
123Y92.8Very high92.7Very high50 Ų5033 Ų3320%0.19616%0.163CC..EExtended strand (participates in β ladder)trans-110.1106.1173.9-72.8-122.1000105.3F67 Q69 I78 V79 W80 I81 N121F67-Y123 HydrophobicContact CD2-CD1 4.07Å; F67-Y123 HydrophobicContact CD2-CG 4.45Å; F67-Y123 HydrophobicContact CE1-CD1 4.48Å; F67-Y123 AromaticContact CE2-CD1 3.09Å; F67-Y123 HydrophobicContact CE2-CD1 3.09Å; F67-Y123 AromaticContact CE2-CE1 3.75Å; F67-Y123 HydrophobicContact CE2-CE1 3.75Å; F67-Y123 AromaticContact CE2-CG 3.76Å; F67-Y123 HydrophobicContact CE2-CG 3.76Å; F67-Y123 AromaticContact CZ-CD1 3.34Å; F67-Y123 HydrophobicContact CZ-CD1 3.34Å; F67-Y123 AromaticContact CZ-CE1 3.64Å; F67-Y123 HydrophobicContact CZ-CE1 3.64Å; F67-Y123 HydrophobicContact CZ-CG 4.41Å; Q69-Y123 HydrophobicContact CG-CD2 4.39Å; Q69-Y123 HydrophobicContact CG-CE1 4.44Å; Q69-Y123 HydrophobicContact CG-CE2 4.18Å; I78-Y123 HydrophobicContact CB-CE2 4.43Å; I78-Y123 HydrophobicContact CD1-CE2 4.02Å; I78-Y123 HydrophobicContact CG1-CD2 4.43Å; I78-Y123 HydrophobicContact CG1-CE2 3.88Å; I78-Y123 HydrophobicContact CG2-CD2 3.53Å; I78-Y123 HydrophobicContact CG2-CE2 3.84Å; I78-Y123 HydrophobicContact CG2-CG 4.15Å; V79-Y123 PolarHBondContact O-N 2.9Å; W80-Y123 WeakPolarHBondContact CA-O 3.18Å; W80-Y123 VanDerWaalsContact CE3-CB 3.48Å; W80-Y123 HydrophobicContact CE3-CD1 4.47Å; W80-Y123 HydrophobicContact CE3-CG 4.32Å; W80-Y123 HydrophobicContact CZ3-CD1 4.34Å; I81-Y123 PolarHBondContact N-O 2.93Å; N121-Y123 HydrophobicContact CB-CD2 4.21Å; N121-Y123 HydrophobicContact CB-CE2 3.66Å
124I94.7Very high92.3Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-116.7119.1-171.5-54.3168.5000108.4F68 I70 I81 A96 F99 I100 L103 F122 P126F68-I124 WeakPolarHBondContact CA-O 3.4Å; F68-I124 PolarHBondContact N-O 2.67Å; F68-I124 PolarHBondContact O-N 2.78Å; I70-I124 HydrophobicContact CD1-CD1 3.88Å; I81-I124 HydrophobicContact CB-CG1 4.26Å; I81-I124 HydrophobicContact CB-CG2 4.35Å; I81-I124 HydrophobicContact CD1-CG1 4.35Å; I81-I124 HydrophobicContact CG2-CG2 4.43Å; I81-I124 CarbonylContact O-C 3.56Å; I81-I124 VanDerWaalsContact O-CA 3.25Å; I81-I124 WeakPolarHBondContact O-CA 3.44Å; A96-I124 HydrophobicContact CB-CG2 4.07Å; F99-I124 HydrophobicContact CD1-CD1 3.76Å; F99-I124 HydrophobicContact CE1-CD1 4.33Å; I100-I124 HydrophobicContact CD1-CB 4.12Å; I100-I124 HydrophobicContact CD1-CG2 3.82Å; I100-I124 HydrophobicContact CG1-CB 4.11Å; I100-I124 HydrophobicContact CG1-CD1 3.57Å; I100-I124 HydrophobicContact CG1-CG1 4.45Å; I100-I124 HydrophobicContact CG1-CG2 3.93Å; L103-I124 HydrophobicContact CD1-CD1 4.12Å; F122-I124 HydrophobicContact CB-CD1 4.08Å; F122-I124 HydrophobicContact CB-CG1 4.12Å; I124-P126 HydrophobicContact CG2-CG 4.37Å; I124-P126 WeakPolarHBondContact O-CD 3.49Å
125L92.5Very high91.8Very high9 Ų938.5 Ų38.55%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-111.193.8175.9178.158000109.2F67 W80 I81 D82 A83 V127 L128F67-L125 HydrophobicContact CB-CB 3.93Å; F67-L125 HydrophobicContact CB-CD1 3.87Å; F67-L125 HydrophobicContact CB-CG 4.42Å; W80-L125 HydrophobicContact CH2-CD2 4.47Å; W80-L125 HydrophobicContact CZ2-CB 4.29Å; W80-L125 HydrophobicContact CZ2-CD2 4.17Å; I81-L125 PolarHBondContact O-N 3.37Å; D82-L125 CarbonylContact C-O 3.56Å; D82-L125 WeakPolarHBondContact CA-O 3.36Å; D82-L125 HydrophobicContact CB-CB 4.32Å; A83-L125 PolarHBondContact N-O 3.22Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 2.96Å; L125-L128 HydrophobicContact CD2-CB 4.14Å; L125-L128 HydrophobicContact CD2-CD1 3.46Å; L125-L128 VanDerWaalsContact CD2-CD1 3.46Å; L125-L128 HydrophobicContact CD2-CG 4.39Å; L125-L128 HydrophobicContact CG-CB 4.49Å
126P93.6Very high91.4Very high2 Ų234.8 Ų34.81%0.01317%0.168CC..SBendtrans-67-28.2-173.7-2435.9000114.5L44 A83 P93 A96 V97 I100 I124L44-P126 HydrophobicContact CD1-CG 4.22Å; L44-P126 HydrophobicContact CD2-CG 4.46Å; A83-P126 CarbonylContact C-O 3.59Å; A83-P126 VanDerWaalsContact C-O 3.3Å; A83-P126 WeakPolarHBondContact CB-O 3.27Å; A83-P126 CarbonylContact O-C 3.3Å; P93-P126 WeakPolarHBondContact CA-O 3.37Å; P93-P126 WeakPolarHBondContact CB-O 3.47Å; P93-P126 WeakPolarHBondContact CG-O 3.42Å; A96-P126 HydrophobicContact CB-CB 3.97Å; A96-P126 HydrophobicContact CB-CG 4.32Å; V97-P126 HydrophobicContact CG2-CB 3.86Å; V97-P126 HydrophobicContact CG2-CG 4.17Å; I100-P126 HydrophobicContact CD1-CG 3.79Å; I124-P126 HydrophobicContact CG2-CG 4.37Å; I124-P126 WeakPolarHBondContact O-CD 3.49Å
127V91.7Very high90.9Very high3 Ų335.3 Ų35.32%0.01817%0.165CC..  trans-136.596.3-178.7-172.20000109.3L37 I40 A83 P93 L125 P130 Y133L37-V127 HydrophobicContact CD1-CB 4.08Å; L37-V127 HydrophobicContact CD1-CG1 3.92Å; L37-V127 HydrophobicContact CD1-CG2 3.96Å; I40-V127 HydrophobicContact CD1-CG2 4.16Å; A83-V127 WeakPolarHBondContact O-CA 3.18Å; P93-V127 HydrophobicContact CB-CG2 4.06Å; P93-V127 HydrophobicContact CG-CG2 4.28Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 2.96Å; V127-P130 HydrophobicContact CG1-CB 4.27Å; V127-Y133 HydrophobicContact CG1-CD2 4.4Å; V127-Y133 HydrophobicContact CG1-CG 3.98Å
128L88.8Confident90.1Very high55 Ų5538.1 Ų38.129%0.28818%0.182SC..SBendtrans-72.1-34.3175.9179.364.7000112.2A83 M85 L125 P130A83-L128 PolarHBondContact O-N 2.76Å; M85-L128 HydrophobicContact CB-CD2 4.01Å; M85-L128 HydrophobicContact CG-CD2 4.13Å; L125-L128 HydrophobicContact CD2-CB 4.14Å; L125-L128 HydrophobicContact CD2-CD1 3.46Å; L125-L128 VanDerWaalsContact CD2-CD1 3.46Å; L125-L128 HydrophobicContact CD2-CG 4.39Å; L125-L128 HydrophobicContact CG-CB 4.49Å; L128-P130 VanDerWaalsContact C-CD 3.46Å; L128-P130 WeakPolarHBondContact O-CD 3.4Å
129N88.3Confident88.6Confident17 Ų1739.4 Ų39.49%0.09119%0.193CC..  trans-113.277.6177.3-177.91.7000110.9G84 D131 G132 Y133G84-N129 WeakPolarHBondContact O-CB 3.32Å; G84-N129 PolarHBondContact O-N 3.14Å; G84-N129 VanDerWaalsContact O-N 3.16Å; N129-D131 VanDerWaalsContact C-N 3.34Å; N129-D131 PolarHBondContact O-N 3.46Å; N129-G132 PolarHBondContact OD1-N 3.12Å; N129-Y133 WeakPolarHBondContact O-CB 3.14Å; N129-Y133 PolarHBondContact O-N 3.03Å
130P88Confident86.6Confident4 Ų437.2 Ų37.23%0.02619%0.189CC..Hα-helixtrans-65.1-36-176.524.9-33.6000113.1L37 Y41 E65 V127 L128 Y133 E134L37-P130 HydrophobicContact CD1-CB 4.2Å; L37-P130 HydrophobicContact CD2-CB 3.7Å; Y41-P130 WeakPolarHBondContact OH-CB 3.4Å; E65-P130 HydrophobicContact CG-CG 3.75Å; V127-P130 HydrophobicContact CG1-CB 4.27Å; L128-P130 VanDerWaalsContact C-CD 3.46Å; L128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-Y133 PolarHBondContact O-N 3.06Å; P130-E134 WeakPolarHBondContact O-CB 3.43Å; P130-E134 PolarHBondContact O-N 3.42Å
131D85.8Confident84.6Confident72 Ų7241.2 Ų41.239%0.38521%0.213SC..Hα-helixtrans-63.1-49.3179.3-67-17.6000111.1N129 Y133 Y135 T157N129-D131 VanDerWaalsContact C-N 3.34Å; N129-D131 PolarHBondContact O-N 3.46Å; D131-Y133 VanDerWaalsContact C-N 3.32Å; D131-Y133 PolarHBondContact O-N 3.46Å; D131-Y135 WeakPolarHBondContact O-CB 3.31Å; D131-Y135 PolarHBondContact O-N 3.13Å; D131-T157 VanDerWaalsContact OD2-CG2 3.3Å; D131-T157 WeakPolarHBondContact OD2-CG2 3.33Å; D131-T157 PolarHBondContact OD2-OG1 3.08Å
132G88Confident82.7Confident2 Ų248 Ų482%0.02125%0.249CC..Hα-helixtrans-64.1-39.1175.800000111.6A87 N129 Y135 S136A87-G132 VanDerWaalsContact CB-O 3.29Å; A87-G132 WeakPolarHBondContact CB-O 3.34Å; N129-G132 PolarHBondContact OD1-N 3.12Å; G132-Y135 PolarHBondContact O-N 3.32Å; G132-S136 PolarHBondContact O-N 3.5Å
133Y88.9Confident80.7Confident2 Ų253.8 Ų53.81%0.00828%0.276CS..Hα-helixtrans-62.3-52.6179.3-167.8-95.1000110.3H35 L37 I40 A87 W90 P93 V127 N129 P130 D131 Y135 S136 W137H35-Y133 WeakPolarHBondContact O-CE1 3.48Å; H35-Y133 PolarHBondContact O-OH 3.15Å; L37-Y133 HydrophobicContact CB-CD1 4.09Å; L37-Y133 HydrophobicContact CD1-CD1 4.12Å; I40-Y133 HydrophobicContact CD1-CE1 3.8Å; A87-Y133 VanDerWaalsContact CB-N 3.3Å; A87-Y133 VanDerWaalsContact O-CD2 3.23Å; A87-Y133 WeakPolarHBondContact O-CD2 3.46Å; W90-Y133 AromaticContact CD1-CE2 3.56Å; W90-Y133 HydrophobicContact CG-CE2 4.27Å; P93-Y133 HydrophobicContact CB-CE2 4.15Å; P93-Y133 HydrophobicContact CG-CD2 4.16Å; P93-Y133 HydrophobicContact CG-CE2 3.74Å; V127-Y133 HydrophobicContact CG1-CD2 4.4Å; V127-Y133 HydrophobicContact CG1-CG 3.98Å; N129-Y133 WeakPolarHBondContact O-CB 3.14Å; N129-Y133 PolarHBondContact O-N 3.03Å; P130-Y133 PolarHBondContact O-N 3.06Å; D131-Y133 VanDerWaalsContact C-N 3.32Å; D131-Y133 PolarHBondContact O-N 3.46Å; Y133-Y135 VanDerWaalsContact C-N 3.29Å; Y133-Y135 PolarHBondContact O-N 3.48Å; Y133-S136 WeakPolarHBondContact O-CB 3.48Å; Y133-S136 PolarHBondContact O-N 3.21Å; Y133-S136 PolarHBondContact O-OG 2.94Å; Y133-W137 AromaticContact CD1-CD1 3.84Å; Y133-W137 AromaticContact CD1-NE1 3.83Å; Y133-W137 AromaticContact CE1-CD1 3.62Å; Y133-W137 AromaticContact CE1-NE1 3.12Å; Y133-W137 AromaticContact CZ-NE1 3.29Å; Y133-W137 VanDerWaalsContact CZ-NE1 3.29Å; Y133-W137 VanDerWaalsContact O-CD1 3.29Å; Y133-W137 PolarHBondContact O-N 3.35Å; Y133-W137 PolarHBondContact OH-NE1 3.16Å
134E87.8Confident78.7Confident89 Ų8956.7 Ų56.742%0.41630%0.301SS..Hα-helixtrans-55.2-45175.1-169.774.3-169.500111.1L37 P130 S136 W137 T138L37-E134 WeakPolarHBondContact CB-OE2 3.29Å; L37-E134 HydrophobicContact CD2-CB 4.44Å; P130-E134 WeakPolarHBondContact O-CB 3.43Å; P130-E134 PolarHBondContact O-N 3.42Å; E134-S136 VanDerWaalsContact C-N 3.29Å; E134-S136 PolarHBondContact O-N 2.99Å; E134-W137 WeakPolarHBondContact O-CB 3.15Å; E134-W137 PolarHBondContact O-N 3.34Å; E134-W137 VanDerWaalsContact O-N 3.08Å; E134-T138 PolarHBondContact O-N 3.49Å
135Y85.6Confident76.8Confident78 Ų7859.2 Ų59.231%0.30631%0.312SS..Hα-helixtrans-59.7-38.3176.4-177-100.3000112.7D131 G132 Y133 W137 T138 F145D131-Y135 WeakPolarHBondContact O-CB 3.31Å; D131-Y135 PolarHBondContact O-N 3.13Å; G132-Y135 PolarHBondContact O-N 3.32Å; Y133-Y135 VanDerWaalsContact C-N 3.29Å; Y133-Y135 PolarHBondContact O-N 3.48Å; Y135-W137 PolarHBondContact O-N 3.4Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.37Å; Y135-T138 PolarHBondContact O-N 2.8Å; Y135-T138 PolarHBondContact O-OG1 3.34Å; Y135-F145 HydrophobicContact CE1-CD1 4.01Å; Y135-F145 AromaticContact CE1-CE1 3.64Å; Y135-F145 HydrophobicContact CE1-CE1 3.64Å; Y135-F145 HydrophobicContact CE1-CZ 4.31Å; Y135-F145 AromaticContact CZ-CE1 3.75Å; Y135-F145 WeakPolarHBondContact OH-CE1 3.22Å
136S87Confident75.1Confident22 Ų2262 Ų6215%0.15433%0.33CS..Hα-helixtrans-65.4-22.117879.10000113.6A87 W90 G132 Y133 E134A87-S136 PolarHBondContact O-OG 2.82Å; W90-S136 PolarHBondContact NE1-OG 3.36Å; G132-S136 PolarHBondContact O-N 3.5Å; Y133-S136 WeakPolarHBondContact O-CB 3.48Å; Y133-S136 PolarHBondContact O-N 3.21Å; Y133-S136 PolarHBondContact O-OG 2.94Å; E134-S136 VanDerWaalsContact C-N 3.29Å; E134-S136 PolarHBondContact O-N 2.99Å
137W85.2Confident73.3Confident80 Ų8067.3 Ų67.330%0.30336%0.363SS..Hα-helixtrans-85.9-19.1173.6-78.987.8000113.1Y34 H35 P36 W90 Y133 E134 Y135 T139Y34-W137 VanDerWaalsContact O-CH2 3.31Å; Y34-W137 WeakPolarHBondContact O-CH2 3.13Å; H35-W137 WeakPolarHBondContact O-CZ2 3.42Å; P36-W137 HydrophobicContact CB-CD2 3.99Å; P36-W137 HydrophobicContact CB-CE3 4.08Å; P36-W137 HydrophobicContact CB-CG 4.35Å; P36-W137 HydrophobicContact CB-CZ3 4.48Å; W90-W137 HydrophobicContact CE3-CZ2 4.46Å; W90-W137 HydrophobicContact CZ2-CD2 4.46Å; W90-W137 HydrophobicContact CZ3-CZ2 4.45Å; Y133-W137 AromaticContact CD1-CD1 3.84Å; Y133-W137 AromaticContact CD1-NE1 3.83Å; Y133-W137 AromaticContact CE1-CD1 3.62Å; Y133-W137 AromaticContact CE1-NE1 3.12Å; Y133-W137 AromaticContact CZ-NE1 3.29Å; Y133-W137 VanDerWaalsContact CZ-NE1 3.29Å; Y133-W137 VanDerWaalsContact O-CD1 3.29Å; Y133-W137 PolarHBondContact O-N 3.35Å; Y133-W137 PolarHBondContact OH-NE1 3.16Å; E134-W137 WeakPolarHBondContact O-CB 3.15Å; E134-W137 PolarHBondContact O-N 3.34Å; E134-W137 VanDerWaalsContact O-N 3.08Å; Y135-W137 PolarHBondContact O-N 3.4Å; W137-T139 PolarHBondContact O-N 3.02Å
138T80Confident71.9Confident59 Ų5970.8 Ų70.836%0.36239%0.387SS..SBendtrans-88.5107.1179.158.30000111.2E134 Y135 V140 F145E134-T138 PolarHBondContact O-N 3.49Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.37Å; Y135-T138 PolarHBondContact O-N 2.8Å; Y135-T138 PolarHBondContact O-OG1 3.34Å; T138-V140 PolarHBondContact O-N 2.89Å; T138-F145 WeakPolarHBondContact O-CZ 3.33Å
139T62.5Low70.6Confident98 Ų9870.5 Ų70.560%0.60139%0.386SS*.  trans-71.597.2169.7-55.80000109.7W137 N141W137-T139 PolarHBondContact O-N 3.02Å; T139-N141 PolarHBondContact O-N 2.65Å
140V52.4Low69Low70 Ų7070.9 Ų70.942%0.42439%0.389SS..SBendtrans-80.4100.4160.5-76.40000108.7T138 N142 F145T138-V140 PolarHBondContact O-N 2.89Å; V140-N142 PolarHBondContact O-N 3.36Å; V140-F145 HydrophobicContact CG2-CE1 3.77Å; V140-F145 HydrophobicContact CG2-CZ 3.82Å
141N54.2Low67.5Low141 Ų14174.1 Ų74.175%0.75441%0.41SS*.THydrogen-bonded Turntrans61.637.9164-55.5-28.5000117.6T139 Q143T139-N141 PolarHBondContact O-N 2.65Å; N141-Q143 PolarHBondContact O-N 3.15Å; N141-Q143 PolarHBondContact O-NE2 2.96Å
142N52.9Low66.4Low144 Ų14478.7 Ų78.777%0.7742%0.422SS*.THydrogen-bonded Turntrans5618.8172.6-108.145.8000114.9V140V140-N142 PolarHBondContact O-N 3.36Å
143Q55.1Low65.2Low132 Ų13280 Ų8062%0.61743%0.43SS*.  trans-79.6126.7175.3-63.5-55.9-63.800109N141 F145N141-Q143 PolarHBondContact O-N 3.15Å; N141-Q143 PolarHBondContact O-NE2 2.96Å; Q143-F145 PolarHBondContact O-N 3.33Å; Q143-F145 VanDerWaalsContact O-N 3.08Å
144P49.1Very low63.7Low112 Ų11281.2 Ų81.273%0.72744%0.44SS*.  trans-65.1113.2171.523.1-27.1000108.8
145F56.5Low62.7Low52 Ų5282.2 Ų82.223%0.22845%0.445CS..  trans-60.8137.5178-63.7-72.3000110.7R88 Y135 T138 V140 Q143R88-F145 VanDerWaalsContact NH1-C 3.27Å; R88-F145 PolarHBondContact NH1-O 3.22Å; Y135-F145 HydrophobicContact CE1-CD1 4.01Å; Y135-F145 AromaticContact CE1-CE1 3.64Å; Y135-F145 HydrophobicContact CE1-CE1 3.64Å; Y135-F145 HydrophobicContact CE1-CZ 4.31Å; Y135-F145 AromaticContact CZ-CE1 3.75Å; Y135-F145 WeakPolarHBondContact OH-CE1 3.22Å; T138-F145 WeakPolarHBondContact O-CZ 3.33Å; V140-F145 HydrophobicContact CG2-CE1 3.77Å; V140-F145 HydrophobicContact CG2-CZ 3.82Å; Q143-F145 PolarHBondContact O-N 3.33Å; Q143-F145 VanDerWaalsContact O-N 3.08Å
146T56.2Low61.6Low68 Ų6880.2 Ų80.242%0.41744%0.442SS..  trans-93164.3173.9640000110.8R88 S148 D149R88-T146 VanDerWaalsContact NH2-C 3.27Å; R88-T146 PolarHBondContact NH2-O 3.43Å; T146-S148 PolarHBondContact O-N 3.44Å; T146-S148 PolarHBondContact OG1-OG 3.45Å; T146-D149 PolarHBondContact N-OD2 3.07Å; T146-D149 PolarHBondContact O-N 3.12Å; T146-D149 VanDerWaalsContact OG1-CG 3.31Å; T146-D149 PolarHBondContact OG1-OD2 3.39Å
147T54.6Low60Low114 Ų11479.8 Ų79.870%0.69944%0.439SS*.Hα-helixtrans-60.7-32.8174.939.60000112.3R88 D149 V150 C151R88-T147 VanDerWaalsContact NH2-CA 3.32Å; T147-D149 PolarHBondContact O-N 2.97Å; T147-V150 PolarHBondContact O-N 3.24Å; T147-C151 PolarHBondContact O-N 3.1Å
148S63.9Low58.8Low75 Ų7580.8 Ų80.852%0.52445%0.45SS..Hα-helixtrans-66.8-34.2177.944.80000114T146 V150 R152T146-S148 PolarHBondContact O-N 3.44Å; T146-S148 PolarHBondContact OG1-OG 3.45Å; S148-V150 PolarHBondContact O-N 3.22Å; S148-R152 WeakPolarHBondContact O-CB 3.38Å; S148-R152 PolarHBondContact O-N 2.95Å; S148-R152 VanDerWaalsContact O-N 3.1Å
149D59.6Low58.2Low49 Ų4984.1 Ų84.126%0.26246%0.461SS..Hα-helixtrans-63.6-34.5179.4-62.8-48.3000111.5T146 T147 V153T146-D149 PolarHBondContact N-OD2 3.07Å; T146-D149 PolarHBondContact O-N 3.12Å; T146-D149 VanDerWaalsContact OG1-CG 3.31Å; T146-D149 PolarHBondContact OG1-OD2 3.39Å; T147-D149 PolarHBondContact O-N 2.97Å; D149-V153 WeakPolarHBondContact O-CG2 3.4Å; D149-V153 PolarHBondContact O-N 3.2Å
150V55.3Low58.3Low26 Ų2685.3 Ų85.316%0.15846%0.458CS..Hα-helixtrans-76.2-44.9-177.6-164.40000111.2A87 T147 S148 R152 V153 A154A87-V150 HydrophobicContact CB-CG1 4.12Å; T147-V150 PolarHBondContact O-N 3.24Å; S148-V150 PolarHBondContact O-N 3.22Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 2.69Å; V150-V153 PolarHBondContact O-N 3.19Å; V150-A154 PolarHBondContact O-N 3.26Å
151C56.6Low58.2Low71 Ų7185.8 Ų85.848%0.4846%0.457SS..Hα-helixtrans-58.3-42.7174.7-67.50000110.6T147 V153 A154 E155T147-C151 PolarHBondContact O-N 3.1Å; C151-V153 VanDerWaalsContact C-N 3.34Å; C151-V153 PolarHBondContact O-N 3.39Å; C151-A154 PolarHBondContact O-N 3.34Å; C151-E155 VanDerWaalsContact O-CB 3.31Å; C151-E155 WeakPolarHBondContact O-CB 3.23Å; C151-E155 WeakPolarHBondContact O-CG 3.42Å; C151-E155 PolarHBondContact O-N 3.29Å
152R63Low59Low169 Ų16985.8 Ų85.864%0.63845%0.453SS*.Hα-helixtrans-62.5-38.4178.5-168-179.268170.1-1.2113S148 V150 S156S148-R152 WeakPolarHBondContact O-CB 3.38Å; S148-R152 PolarHBondContact O-N 2.95Å; S148-R152 VanDerWaalsContact O-N 3.1Å; V150-R152 VanDerWaalsContact C-N 3.26Å; V150-R152 PolarHBondContact O-N 2.69Å; R152-S156 VanDerWaalsContact O-CB 3.32Å; R152-S156 WeakPolarHBondContact O-CB 3.45Å; R152-S156 PolarHBondContact O-N 3.08Å
153V63.2Low59.4Low30 Ų3083.2 Ų83.218%0.18245%0.446CS..Hα-helixtrans-68.3-45.5175.6174.40000110.4D149 V150 C151 E155 S156 T157D149-V153 WeakPolarHBondContact O-CG2 3.4Å; D149-V153 PolarHBondContact O-N 3.2Å; V150-V153 PolarHBondContact O-N 3.19Å; C151-V153 VanDerWaalsContact C-N 3.34Å; C151-V153 PolarHBondContact O-N 3.39Å; V153-E155 PolarHBondContact O-N 2.8Å; V153-S156 PolarHBondContact O-N 3.05Å; V153-S156 PolarHBondContact O-OG 3.33Å; V153-T157 PolarHBondContact O-N 2.9Å; V153-T157 PolarHBondContact O-OG1 3.33Å
154A57.6Low59.5Low27 Ų2784.8 Ų84.822%0.22345%0.45CS..Hα-helixtrans-60.6-44.2177.300000112.2V150 C151 T157 L158V150-A154 PolarHBondContact O-N 3.26Å; C151-A154 PolarHBondContact O-N 3.34Å; A154-T157 PolarHBondContact O-N 2.96Å; A154-L158 WeakPolarHBondContact O-CG 3.41Å; A154-L158 PolarHBondContact O-N 3.41Å
155E65.6Low59.4Low110 Ų11090.7 Ų90.751%0.51447%0.469SS..Hα-helixtrans-60.9-45.4173.5-73.6164.7-176.900110.8C151 V153 T157 L158 E159C151-E155 VanDerWaalsContact O-CB 3.31Å; C151-E155 WeakPolarHBondContact O-CB 3.23Å; C151-E155 WeakPolarHBondContact O-CG 3.42Å; C151-E155 PolarHBondContact O-N 3.29Å; V153-E155 PolarHBondContact O-N 2.8Å; E155-T157 PolarHBondContact O-N 3.38Å; E155-L158 WeakPolarHBondContact O-CB 3.34Å; E155-L158 PolarHBondContact O-N 3.5Å; E155-L158 VanDerWaalsContact O-N 3.13Å; E155-E159 WeakPolarHBondContact O-CG 3.29Å; E155-E159 PolarHBondContact O-N 3.41Å
156S63.5Low59.5Low36 Ų3692.7 Ų92.725%0.25248%0.481SS..Hα-helixtrans-62.7-30.7176.9830000113R152 V153 K160R152-S156 VanDerWaalsContact O-CB 3.32Å; R152-S156 WeakPolarHBondContact O-CB 3.45Å; R152-S156 PolarHBondContact O-N 3.08Å; V153-S156 PolarHBondContact O-N 3.05Å; V153-S156 PolarHBondContact O-OG 3.33Å; S156-K160 WeakPolarHBondContact O-CD 3.42Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 2.7Å
157T53.8Low59.7Low13 Ų1393.9 Ų93.98%0.0848%0.484CS..Hα-helixtrans-75.7-40.6174.8-65.20000110.7D131 V153 A154 E155 K160 I161D131-T157 VanDerWaalsContact OD2-CG2 3.3Å; D131-T157 WeakPolarHBondContact OD2-CG2 3.33Å; D131-T157 PolarHBondContact OD2-OG1 3.08Å; V153-T157 PolarHBondContact O-N 2.9Å; V153-T157 PolarHBondContact O-OG1 3.33Å; A154-T157 PolarHBondContact O-N 2.96Å; E155-T157 PolarHBondContact O-N 3.38Å; T157-K160 WeakPolarHBondContact O-CB 3.49Å; T157-K160 PolarHBondContact O-N 2.86Å; T157-I161 HydrophobicContact CG2-CD1 4.06Å; T157-I161 WeakPolarHBondContact O-CG1 3.46Å; T157-I161 PolarHBondContact O-N 3.29Å
158L58.2Low60Low101 Ų10192.8 Ų92.853%0.52947%0.472SS..Hα-helixtrans-60.9-43.3173.7-77.5173.1000112.1A154 E155 K160 I161 Q162A154-L158 WeakPolarHBondContact O-CG 3.41Å; A154-L158 PolarHBondContact O-N 3.41Å; E155-L158 WeakPolarHBondContact O-CB 3.34Å; E155-L158 PolarHBondContact O-N 3.5Å; E155-L158 VanDerWaalsContact O-N 3.13Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.04Å; L158-I161 PolarHBondContact O-N 3.49Å; L158-I161 VanDerWaalsContact O-N 3.13Å; L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.08Å
159E67.6Low59.8Low129 Ų12993.9 Ų93.960%0.60347%0.469SS*.Hα-helixtrans-62-38.1174-71.7175.1174.900111.9E155 I161 S163E155-E159 WeakPolarHBondContact O-CG 3.29Å; E155-E159 PolarHBondContact O-N 3.41Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 2.95Å; E159-S163 WeakPolarHBondContact O-CB 3.31Å; E159-S163 PolarHBondContact O-N 2.99Å; E159-S163 PolarHBondContact O-OG 3.36Å
160K65.7Low59.8Low123 Ų12396.7 Ų96.754%0.53548%0.482SS..Hα-helixtrans-68.8-26.9174.3-75.4168.5-169.6167.50113.4S156 T157 L158 S163 K164S156-K160 WeakPolarHBondContact O-CD 3.42Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 2.7Å; T157-K160 WeakPolarHBondContact O-CB 3.49Å; T157-K160 PolarHBondContact O-N 2.86Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.04Å; K160-S163 WeakPolarHBondContact CA-OG 3.48Å; K160-S163 PolarHBondContact O-OG 2.94Å; K160-K164 WeakPolarHBondContact O-CG 3.46Å
161I49.7Very low60.1Low80 Ų80101.4 Ų101.441%0.4150%0.503SS..Hα-helixtrans-77.9-46.4175.8-69.7165.2000109.4T157 L158 E159 S163 K164T157-I161 HydrophobicContact CG2-CD1 4.06Å; T157-I161 WeakPolarHBondContact O-CG1 3.46Å; T157-I161 PolarHBondContact O-N 3.29Å; L158-I161 PolarHBondContact O-N 3.49Å; L158-I161 VanDerWaalsContact O-N 3.13Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 2.95Å; I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.73Å; I161-K164 PolarHBondContact O-N 3.38Å
162Q70.7Confident60.3Low141 Ų141103.6 Ų103.666%0.65951%0.505SS*.Hα-helixtrans-66.4-26.7179.1-70.7178.7-1600113.6L158 K164L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.08Å; Q162-K164 VanDerWaalsContact C-N 3.33Å
163S62.5Low60.1Low89 Ų8998.5 Ų98.562%0.62250%0.495SS*.THydrogen-bonded Turntrans-83.6-2.1176.953.70000114.9E159 K160 I161E159-S163 WeakPolarHBondContact O-CB 3.31Å; E159-S163 PolarHBondContact O-N 2.99Å; E159-S163 PolarHBondContact O-OG 3.36Å; K160-S163 WeakPolarHBondContact CA-OG 3.48Å; K160-S163 PolarHBondContact O-OG 2.94Å; I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.73Å
164K56.8Low59.9Low165 Ų165104.3 Ų104.372%0.71752%0.521SS*.THydrogen-bonded Turntrans-95.9-4.5176.9-78-177.8-179.8-177.60114K160 I161 Q162K160-K164 WeakPolarHBondContact O-CG 3.46Å; I161-K164 PolarHBondContact O-N 3.38Å; Q162-K164 VanDerWaalsContact C-N 3.33Å
165E46.8Very low60.1Low237 Ų237111.3 Ų111.3100%1.10755%0.548SS*.  trans-93.80168-64.6-175.2158.400110.4

Retrieved 165 of 165 residues in 145 ms (Link to these results)

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