A0A077ZEP4_TRITR Loading...

Transmembrane protein 231

Transmembrane component of the tectonic-like complex, a complex localized at the transition zone of primary cilia and acting as a barrier that prevents diffusion of transmembrane proteins between the cilia and plasma membranes. Required for ciliogenesis and sonic hedgehog/SHH signaling.

AlphaFold DB , UniProt , Accession A0A077ZEP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 308 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
1M69.4Low83.2Confident244 Ų244130 Ų130100%1.20269%0.694SS**  0120.10-167177.7-16800106.8
2I80.2Confident83.6Confident151 Ų151125.1 Ų125.177%0.77467%0.667SS**  trans-98.1123.4-178.2-62.2167.5000106.9V4I2-V4 PolarHBondContact O-N 3.03Å; I2-V4 VanDerWaalsContact O-N 3.1Å
3T79.7Confident84Confident122 Ų122121.1 Ų121.175%0.74864%0.638SS**  trans-66.4106.2168.139.10000108.3
4V89.9Confident84.3Confident138 Ų138116.4 Ų116.484%0.83662%0.62SS**  trans-77.3-31.7-178.4-177.50000111.2I2I2-V4 PolarHBondContact O-N 3.03Å; I2-V4 VanDerWaalsContact O-N 3.1Å
5F90.3Very high84.6Confident167 Ų167111.5 Ų111.573%0.73260%0.602SS**  trans-153.3140.6-174.3-175.1-104.6000111.5K7F5-K7 HydrophobicContact CE1-CB 3.84Å; F5-K7 HydrophobicContact CZ-CB 4.11Å
6T85.8Confident84.8Confident113 Ų113107.7 Ų107.769%0.69359%0.587SS**  trans-138.6131.7170.756.80000108.4
7K84.8Confident84.9Confident111 Ų111105.6 Ų105.648%0.48359%0.588SS.*  trans-114.5130.4172.5-168.6176.7-176.91790109.2F5 E308F5-K7 HydrophobicContact CE1-CB 3.84Å; F5-K7 HydrophobicContact CZ-CB 4.11Å; K7-E308 PolarHBondContact NZ-O 2.63Å; K7-E308 PolarHBondContact NZ-OXT 3.48Å
8P81.7Confident84.9Confident118 Ų118107.2 Ų107.277%0.76660%0.6SS**PPolyproline II helixtrans-68.2135.2174.328.4-33.2000110.1
9V85.1Confident85.2Confident89 Ų89102.4 Ų102.454%0.53958%0.575SS.*PPolyproline II helixtrans-97.8123.7173.7177.30000108.7L11 V305V9-L11 HydrophobicContact CG1-CD2 3.89Å; V9-V305 HydrophobicContact CG1-CG1 3.37Å
10Q84Confident85.4Confident112 Ų112103.2 Ų103.252%0.52358%0.577SS.*EExtended strand (participates in β ladder)trans-81.2125.2175.5-67.8-168.1-0.100110.6V306Q10-V306 PolarHBondContact O-N 3.21Å
11L84.3Confident85.7Confident65 Ų6598.3 Ų98.334%0.3455%0.55SS..EExtended strand (participates in β ladder)trans-110.1116.9178.4-56.3-178.1000109.5V9 Y13 V305V9-L11 HydrophobicContact CG1-CD2 3.89Å; L11-Y13 HydrophobicContact CB-CE2 3.86Å; L11-V305 HydrophobicContact CD2-CG1 4.43Å; L11-V305 HydrophobicContact CD2-CG2 3.92Å
12I88.3Confident86.7Confident71 Ų7190.9 Ų90.936%0.36451%0.511SS..EExtended strand (participates in β ladder)trans-102.4127.9176.7-57.7176.5000108R303 T304 V306I12-R303 WeakPolarHBondContact O-CA 3.36Å; I12-T304 WeakPolarHBondContact CB-OG1 3.47Å; I12-T304 PolarHBondContact N-O 3.27Å; I12-T304 PolarHBondContact O-N 3.44Å; I12-V306 HydrophobicContact CD1-CG2 3.47Å; I12-V306 VanDerWaalsContact CD1-CG2 3.47Å; I12-V306 HydrophobicContact CG1-CG2 4.19Å
13Y88.6Confident87.2Confident73 Ų7387.8 Ų87.829%0.28650%0.495SS..EExtended strand (participates in β ladder)trans-110.4116.7176.5-64.8-93.3000108.5L11 Y294 R303L11-Y13 HydrophobicContact CB-CE2 3.86Å; Y13-Y294 VanDerWaalsContact CE1-O 3.27Å; Y13-Y294 WeakPolarHBondContact CE1-O 3.4Å; Y13-R303 HydrophobicContact CD1-CB 4.47Å; Y13-R303 HydrophobicContact CE1-CB 4.4Å; Y13-R303 HydrophobicContact CE1-CG 4.45Å
14S88Confident87.9Confident56 Ų5684.1 Ų84.139%0.39247%0.469SS..EExtended strand (participates in β ladder)trans-116.2152.1-178.8-72.90000110.3T301 W302S14-T301 WeakPolarHBondContact O-CA 3.06Å; S14-W302 VanDerWaalsContact CB-CD1 3.47Å; S14-W302 PolarHBondContact N-O 3.18Å; S14-W302 PolarHBondContact O-N 2.87Å; S14-W302 PolarHBondContact O-NE1 3.13Å
15A89.6Confident88Confident42 Ų4280.3 Ų80.335%0.34744%0.442SS..  trans-148.7160.2-179.400000110.4A21 T301A15-A21 HydrophobicContact CB-CB 3.92Å; A15-T301 HydrophobicContact CB-CG2 4.4Å
16S87.9Confident88.2Confident51 Ų5177.5 Ų77.536%0.35743%0.434SS..  trans-79.3153.9172.362.80000111.4T18 S19 F22S16-T18 PolarHBondContact O-N 3.43Å; S16-S19 WeakPolarHBondContact O-CB 3.5Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 VanDerWaalsContact O-N 3.14Å; S16-S19 PolarHBondContact O-OG 3.03Å; S16-F22 WeakPolarHBondContact O-CB 3.24Å
17A85.6Confident88.7Confident73 Ų7376.4 Ų76.460%0.60342%0.423SS*.THydrogen-bonded Turntrans-62.8-21.5-179.900000114.1F22A17-F22 WeakPolarHBondContact O-CD1 3.48Å
18T84.7Confident89.1Confident133 Ų13371.2 Ų71.282%0.81640%0.4SS*.THydrogen-bonded Turntrans-96.46.817952.90000113.7S16S16-T18 PolarHBondContact O-N 3.43Å
19S90.2Very high89.8Confident16 Ų1669 Ų6911%0.11238%0.382CS..SBendtrans-86.3155-177.267.80000113.4S16 A21 F22 I23S16-S19 WeakPolarHBondContact O-CB 3.5Å; S16-S19 PolarHBondContact O-N 2.84Å; S16-S19 VanDerWaalsContact O-N 3.14Å; S16-S19 PolarHBondContact O-OG 3.03Å; S19-A21 PolarHBondContact O-N 3.21Å; S19-F22 PolarHBondContact O-N 2.82Å; S19-F22 VanDerWaalsContact O-N 3.08Å; S19-F22 PolarHBondContact OG-N 3.36Å; S19-I23 PolarHBondContact O-N 3.11Å; S19-I23 VanDerWaalsContact O-N 3.17Å
20L90.2Very high90.3Very high119 Ų11966.7 Ų66.762%0.62337%0.371SS*.Hα-helixtrans-56.2-34.4169.4-170.379.9000111.8F22 I23 F24 L299L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.32Å; L20-I23 PolarHBondContact O-N 3.14Å; L20-F24 WeakPolarHBondContact O-CB 3.4Å; L20-F24 PolarHBondContact O-N 3.08Å; L20-L299 HydrophobicContact CD2-CD2 3.46Å; L20-L299 VanDerWaalsContact CD2-CD2 3.46Å; L20-L299 HydrophobicContact CG-CD2 4.01Å
21A90.6Very high90.8Very high1 Ų164 Ų641%0.00836%0.362CS..Hα-helixtrans-64.2-35.9177.200000112.9A15 S19 H25 Y294 L299 T301A15-A21 HydrophobicContact CB-CB 3.92Å; S19-A21 PolarHBondContact O-N 3.21Å; A21-H25 WeakPolarHBondContact O-CB 3.47Å; A21-H25 PolarHBondContact O-N 3.16Å; A21-Y294 HydrophobicContact CB-CE1 4.49Å; A21-Y294 PolarHBondContact O-OH 3.1Å; A21-L299 HydrophobicContact CB-CB 4.08Å; A21-T301 HydrophobicContact CB-CG2 3.94Å
22F90.6Very high91.3Very high87 Ų8762.3 Ų62.338%0.38235%0.353SS..Hα-helixtrans-72.5-40.7175.2-175-99.8000111.9S16 A17 S19 L20 F24 H25 L26S16-F22 WeakPolarHBondContact O-CB 3.24Å; A17-F22 WeakPolarHBondContact O-CD1 3.48Å; S19-F22 PolarHBondContact O-N 2.82Å; S19-F22 VanDerWaalsContact O-N 3.08Å; S19-F22 PolarHBondContact OG-N 3.36Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.32Å; F22-F24 PolarHBondContact O-N 3.39Å; F22-H25 WeakPolarHBondContact O-CB 3.23Å; F22-H25 PolarHBondContact O-N 2.93Å; F22-H25 VanDerWaalsContact O-N 3.15Å; F22-L26 PolarHBondContact O-N 3.1Å
23I92.3Very high91.7Very high87 Ų8763.1 Ų63.145%0.44636%0.358SS..Hα-helixtrans-60.1-46.5173.2-65169.9000110.5S19 L20 H25 L26 I27S19-I23 PolarHBondContact O-N 3.11Å; S19-I23 VanDerWaalsContact O-N 3.17Å; L20-I23 PolarHBondContact O-N 3.14Å; I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.21Å; I23-L26 WeakPolarHBondContact O-CB 3.29Å; I23-L26 PolarHBondContact O-N 3.41Å; I23-I27 HydrophobicContact CG2-CD1 3.86Å; I23-I27 HydrophobicContact CG2-CG1 4.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 2.87Å
24F93.8Very high92Very high45 Ų4564.3 Ų64.320%0.19737%0.368CS..Hα-helixtrans-57.5-43.8174.3175-103.6000111.4L20 F22 L26 I27 T28 I289 R290 V293 Y294 L299L20-F24 WeakPolarHBondContact O-CB 3.4Å; L20-F24 PolarHBondContact O-N 3.08Å; F22-F24 PolarHBondContact O-N 3.39Å; F24-L26 PolarHBondContact O-N 3.29Å; F24-I27 PolarHBondContact O-N 2.78Å; F24-T28 HydrophobicContact CD1-CG2 4.15Å; F24-T28 HydrophobicContact CD2-CG2 4.31Å; F24-T28 HydrophobicContact CE1-CG2 3.73Å; F24-T28 HydrophobicContact CE2-CG2 3.9Å; F24-T28 HydrophobicContact CG-CG2 4.43Å; F24-T28 HydrophobicContact CZ-CG2 3.58Å; F24-T28 VanDerWaalsContact O-CG2 3.27Å; F24-T28 WeakPolarHBondContact O-CG2 3.44Å; F24-T28 PolarHBondContact O-N 2.84Å; F24-I289 HydrophobicContact CZ-CG2 4.28Å; F24-R290 HydrophobicContact CE1-CG 4.17Å; F24-V293 HydrophobicContact CD1-CG1 4.32Å; F24-V293 HydrophobicContact CE1-CB 4.15Å; F24-V293 HydrophobicContact CE1-CG1 3.85Å; F24-V293 HydrophobicContact CE1-CG2 4.31Å; F24-V293 HydrophobicContact CZ-CB 4.19Å; F24-V293 HydrophobicContact CZ-CG1 4.13Å; F24-V293 HydrophobicContact CZ-CG2 3.84Å; F24-Y294 HydrophobicContact CD1-CE2 4.49Å; F24-Y294 HydrophobicContact CE1-CE2 4.3Å; F24-L299 HydrophobicContact CB-CD1 3.54Å; F24-L299 HydrophobicContact CD1-CD1 3.5Å; F24-L299 VanDerWaalsContact CD1-CD1 3.5Å; F24-L299 HydrophobicContact CD2-CD1 4.23Å; F24-L299 HydrophobicContact CE1-CD1 4.25Å; F24-L299 HydrophobicContact CG-CD1 3.48Å; F24-L299 VanDerWaalsContact CG-CD1 3.48Å
25H92.8Very high92.2Very high58 Ų5862.7 Ų62.727%0.26936%0.358SS..Hα-helixtrans-59-46.7176-176.547.2000112.3A21 F22 I23 I27 T28 I29A21-H25 WeakPolarHBondContact O-CB 3.47Å; A21-H25 PolarHBondContact O-N 3.16Å; F22-H25 WeakPolarHBondContact O-CB 3.23Å; F22-H25 PolarHBondContact O-N 2.93Å; F22-H25 VanDerWaalsContact O-N 3.15Å; I23-H25 VanDerWaalsContact C-N 3.29Å; I23-H25 PolarHBondContact O-N 3.21Å; H25-I27 PolarHBondContact O-N 2.82Å; H25-T28 PolarHBondContact O-N 2.86Å; H25-T28 PolarHBondContact O-OG1 2.69Å; H25-I29 WeakPolarHBondContact NE2-CD1 3Å; H25-I29 WeakPolarHBondContact O-CG1 3.49Å; H25-I29 PolarHBondContact O-N 2.98Å
26L94.2Very high92.4Very high108 Ų10860.7 Ų60.757%0.56534%0.341SS*.Hα-helixtrans-58.4-46.7175.6-17090.5000111.5F22 I23 F24 T28 I29 A30F22-L26 PolarHBondContact O-N 3.1Å; I23-L26 WeakPolarHBondContact O-CB 3.29Å; I23-L26 PolarHBondContact O-N 3.41Å; F24-L26 PolarHBondContact O-N 3.29Å; L26-T28 VanDerWaalsContact C-N 3.31Å; L26-T28 PolarHBondContact O-N 3Å; L26-I29 PolarHBondContact O-N 3.16Å; L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.87Å
27I95.1Very high92.5Very high90 Ų9064.9 Ų64.946%0.46235%0.35SS..Hα-helixtrans-59.5-44.1177-67.9167.1000110.2I23 F24 H25 I29 A30 V31I23-I27 HydrophobicContact CG2-CD1 3.86Å; I23-I27 HydrophobicContact CG2-CG1 4.43Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 PolarHBondContact O-N 2.87Å; F24-I27 PolarHBondContact O-N 2.78Å; H25-I27 PolarHBondContact O-N 2.82Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.74Å; I27-A30 PolarHBondContact O-N 3.02Å; I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.86Å
28T94.3Very high92.7Very high2 Ų265.5 Ų65.51%0.01234%0.342CS..Hα-helixtrans-62.1-39.5179.162.90000112.6F24 H25 L26 I32 M286 R290F24-T28 HydrophobicContact CD1-CG2 4.15Å; F24-T28 HydrophobicContact CD2-CG2 4.31Å; F24-T28 HydrophobicContact CE1-CG2 3.73Å; F24-T28 HydrophobicContact CE2-CG2 3.9Å; F24-T28 HydrophobicContact CG-CG2 4.43Å; F24-T28 HydrophobicContact CZ-CG2 3.58Å; F24-T28 VanDerWaalsContact O-CG2 3.27Å; F24-T28 WeakPolarHBondContact O-CG2 3.44Å; F24-T28 PolarHBondContact O-N 2.84Å; H25-T28 PolarHBondContact O-N 2.86Å; H25-T28 PolarHBondContact O-OG1 2.69Å; L26-T28 VanDerWaalsContact C-N 3.31Å; L26-T28 PolarHBondContact O-N 3Å; T28-I32 WeakPolarHBondContact O-CD1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.34Å; T28-M286 HydrophobicContact CG2-CE 3.33Å; T28-R290 HydrophobicContact CG2-CG 4.1Å
29I94.7Very high93Very high72 Ų7261.8 Ų61.837%0.36932%0.319SS..Hα-helixtrans-65.9-45.6175.3-68.1168.6000110.3H25 L26 I27 V31 I32 I33H25-I29 WeakPolarHBondContact NE2-CD1 3Å; H25-I29 WeakPolarHBondContact O-CG1 3.49Å; H25-I29 PolarHBondContact O-N 2.98Å; L26-I29 PolarHBondContact O-N 3.16Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.74Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 2.94Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 2.87Å; I29-I33 HydrophobicContact CG2-CD1 3.91Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 2.78Å; I29-I33 VanDerWaalsContact O-N 3.12Å
30A96Very high92.9Very high39 Ų3961.4 Ų61.432%0.32232%0.315SS..Hα-helixtrans-60.1-43.1178.400000111.6L26 I27 I33 I34L26-A30 WeakPolarHBondContact O-CB 3.27Å; L26-A30 PolarHBondContact O-N 2.87Å; I27-A30 PolarHBondContact O-N 3.02Å; A30-I33 PolarHBondContact O-N 3.41Å; A30-I34 HydrophobicContact CB-CD1 4.29Å; A30-I34 VanDerWaalsContact O-CB 3.32Å; A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.26Å; A30-I34 PolarHBondContact O-N 3.34Å
31V95.5Very high92.6Very high55 Ų5562.9 Ų62.933%0.33331%0.314SS..Hα-helixtrans-63.1-42.7175.61710000111.3I27 I29 I33 A35 M286I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 VanDerWaalsContact O-CG2 3.3Å; I27-V31 WeakPolarHBondContact O-CG2 3.49Å; I27-V31 PolarHBondContact O-N 2.86Å; I29-V31 VanDerWaalsContact C-N 3.33Å; I29-V31 PolarHBondContact O-N 2.94Å; V31-I33 PolarHBondContact O-N 2.83Å; V31-A35 HydrophobicContact CG1-CB 4.14Å; V31-A35 WeakPolarHBondContact O-CB 3.2Å; V31-A35 PolarHBondContact O-N 2.82Å; V31-M286 HydrophobicContact CB-CE 4.34Å; V31-M286 HydrophobicContact CG1-CE 4.33Å; V31-M286 HydrophobicContact CG1-SD 4.17Å
32I95.4Very high92.3Very high30 Ų3070 Ų7015%0.15435%0.345CS..Hα-helixtrans-57.8-36.1176.6-71.7165.6000111.4T28 I29 P36 L279 I283 M286T28-I32 WeakPolarHBondContact O-CD1 3.23Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.34Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 2.87Å; I32-P36 WeakPolarHBondContact O-CD 3.41Å; I32-P36 WeakPolarHBondContact O-CG 3.37Å; I32-L279 HydrophobicContact CG2-CD1 3.69Å; I32-L279 VanDerWaalsContact O-CD1 3.31Å; I32-L279 WeakPolarHBondContact O-CD1 3.45Å; I32-I283 HydrophobicContact CG2-CD1 4.45Å; I32-I283 HydrophobicContact CG2-CG1 3.62Å; I32-M286 HydrophobicContact CD1-CB 3.76Å; I32-M286 HydrophobicContact CD1-CG 4.21Å; I32-M286 HydrophobicContact CG1-CB 3.77Å; I32-M286 HydrophobicContact CG1-CG 3.65Å
33I94.8Very high91.6Very high89 Ų8968.7 Ų68.746%0.45636%0.355SS..Hα-helixtrans-85-45.6-177.9-63.3169.1000111.7I29 A30 V31 Y275I29-I33 HydrophobicContact CG2-CD1 3.91Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 2.78Å; I29-I33 VanDerWaalsContact O-N 3.12Å; A30-I33 PolarHBondContact O-N 3.41Å; V31-I33 PolarHBondContact O-N 2.83Å; I33-Y275 PolarHBondContact O-OH 2.85Å
34I94.9Very high90.4Very high98 Ų9867.4 Ų67.450%0.50335%0.35SS..Hα-helixtrans-82.9-37.4-170.9-62168.3000111.9A30 Y37 M38A30-I34 HydrophobicContact CB-CD1 4.29Å; A30-I34 VanDerWaalsContact O-CB 3.32Å; A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.26Å; A30-I34 PolarHBondContact O-N 3.34Å; I34-Y37 WeakPolarHBondContact O-CB 2.93Å; I34-Y37 PolarHBondContact O-N 2.99Å; I34-M38 HydrophobicContact CG2-CG 4.01Å; I34-M38 WeakPolarHBondContact O-CG 3.11Å; I34-M38 PolarHBondContact O-N 2.85Å
35A93.6Very high89.1Confident21 Ų2169.8 Ų69.817%0.17436%0.364CS..Hα-helixtrans-63.7-42.7-175.300000113.6V31 Y37 M38 V39 F282V31-A35 HydrophobicContact CG1-CB 4.14Å; V31-A35 WeakPolarHBondContact O-CB 3.2Å; V31-A35 PolarHBondContact O-N 2.82Å; A35-Y37 VanDerWaalsContact C-N 3.28Å; A35-Y37 PolarHBondContact O-N 2.81Å; A35-M38 PolarHBondContact O-N 3.48Å; A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 3.42Å; A35-F282 HydrophobicContact CB-CD1 3.86Å; A35-F282 HydrophobicContact CB-CD2 4.45Å; A35-F282 HydrophobicContact CB-CE1 3.43Å; A35-F282 VanDerWaalsContact CB-CE1 3.43Å; A35-F282 HydrophobicContact CB-CE2 4.08Å; A35-F282 HydrophobicContact CB-CG 4.36Å; A35-F282 HydrophobicContact CB-CZ 3.55Å
36P93.1Very high87.6Confident0 Ų069.4 Ų69.40%036%0.364CS..Hα-helixtrans-54.8-43.9171.6-26.334000112.9I32 V39 I40 Y275 F278 L279 F282I32-P36 WeakPolarHBondContact O-CD 3.41Å; I32-P36 WeakPolarHBondContact O-CG 3.37Å; P36-V39 PolarHBondContact O-N 2.64Å; P36-I40 WeakPolarHBondContact O-CG1 3.34Å; P36-I40 PolarHBondContact O-N 2.82Å; P36-I40 VanDerWaalsContact O-N 3.1Å; P36-Y275 HydrophobicContact CB-CD2 3.83Å; P36-Y275 HydrophobicContact CB-CE2 3.79Å; P36-Y275 HydrophobicContact CG-CE2 4.47Å; P36-F278 HydrophobicContact CB-CB 3.71Å; P36-F278 HydrophobicContact CG-CB 4.33Å; P36-L279 HydrophobicContact CG-CB 4.4Å; P36-L279 HydrophobicContact CG-CD1 4.41Å; P36-F282 HydrophobicContact CB-CD2 4.48Å; P36-F282 HydrophobicContact CG-CB 4.4Å; P36-F282 HydrophobicContact CG-CD2 3.7Å; P36-F282 HydrophobicContact CG-CE2 4.33Å; P36-F282 HydrophobicContact CG-CG 4.26Å
37Y90Very high86.1Confident139 Ų13969 Ų6955%0.54537%0.367SS..Hα-helixtrans-63.2-43.5178.5179.1-95.9000111.7I34 A35 V39 I40 Y41I34-Y37 WeakPolarHBondContact O-CB 2.93Å; I34-Y37 PolarHBondContact O-N 2.99Å; A35-Y37 VanDerWaalsContact C-N 3.28Å; A35-Y37 PolarHBondContact O-N 2.81Å; Y37-V39 PolarHBondContact O-N 2.86Å; Y37-I40 PolarHBondContact O-N 2.8Å; Y37-Y41 WeakPolarHBondContact O-CB 3.25Å; Y37-Y41 PolarHBondContact O-N 2.81Å
38M90.6Very high84.6Confident86 Ų8671.1 Ų71.142%0.42437%0.374SS..Hα-helixtrans-62-42.8176.4-71.4-72.3-88.100111.9I34 A35 I40 Y41 F42I34-M38 HydrophobicContact CG2-CG 4.01Å; I34-M38 WeakPolarHBondContact O-CG 3.11Å; I34-M38 PolarHBondContact O-N 2.85Å; A35-M38 PolarHBondContact O-N 3.48Å; M38-I40 VanDerWaalsContact C-N 3.31Å; M38-I40 PolarHBondContact O-N 2.59Å; M38-Y41 PolarHBondContact O-N 2.85Å; M38-F42 HydrophobicContact CB-CD2 4.43Å; M38-F42 HydrophobicContact CB-CE2 4.41Å; M38-F42 HydrophobicContact CE-CE2 3.53Å; M38-F42 HydrophobicContact CE-CZ 4.06Å; M38-F42 WeakPolarHBondContact O-CD2 3.12Å; M38-F42 PolarHBondContact O-N 2.89Å; M38-F42 HydrophobicContact SD-CE2 4.04Å
39V90.3Very high83.7Confident56 Ų5675.8 Ų75.834%0.33939%0.391SS..Hα-helixtrans-60.4-42.9177.6172.40000111A35 P36 Y37 G43 F278 F282A35-V39 WeakPolarHBondContact O-CG2 3.45Å; A35-V39 PolarHBondContact O-N 3.42Å; P36-V39 PolarHBondContact O-N 2.64Å; Y37-V39 PolarHBondContact O-N 2.86Å; V39-G43 WeakPolarHBondContact O-CA 3.18Å; V39-G43 PolarHBondContact O-N 2.88Å; V39-F278 HydrophobicContact CG1-CD1 4.08Å; V39-F278 HydrophobicContact CG1-CD2 4.35Å; V39-F278 HydrophobicContact CG1-CE1 3.7Å; V39-F278 HydrophobicContact CG1-CE2 4Å; V39-F278 HydrophobicContact CG1-CG 4.4Å; V39-F278 HydrophobicContact CG1-CZ 3.66Å; V39-F282 HydrophobicContact CG2-CE2 4.15Å; V39-F282 HydrophobicContact CG2-CZ 4.16Å
40I88Confident83.3Confident7 Ų775.6 Ų75.64%0.03639%0.393CS..Hα-helixtrans-67.5-46.4177.8-65.7166.5000110.8P36 Y37 M38 F42 G43 D44 L46 E274 Y275 F278P36-I40 WeakPolarHBondContact O-CG1 3.34Å; P36-I40 PolarHBondContact O-N 2.82Å; P36-I40 VanDerWaalsContact O-N 3.1Å; Y37-I40 PolarHBondContact O-N 2.8Å; M38-I40 VanDerWaalsContact C-N 3.31Å; M38-I40 PolarHBondContact O-N 2.59Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.91Å; I40-G43 PolarHBondContact O-N 2.83Å; I40-D44 PolarHBondContact O-N 2.83Å; I40-L46 HydrophobicContact CG2-CD1 3.73Å; I40-L46 HydrophobicContact CG2-CD2 4.32Å; I40-L46 HydrophobicContact CG2-CG 4.28Å; I40-E274 HydrophobicContact CD1-CB 4.04Å; I40-E274 HydrophobicContact CG1-CB 4.32Å; I40-Y275 VanDerWaalsContact CD1-CA 3.44Å; I40-Y275 HydrophobicContact CD1-CD2 4.32Å; I40-F278 HydrophobicContact CD1-CD2 4.22Å; I40-F278 HydrophobicContact CG1-CD2 3.88Å; I40-F278 HydrophobicContact CG1-CE2 4.08Å
41Y84.8Confident82.8Confident150 Ų15076.5 Ų76.559%0.58839%0.392SS*.Hα-helixtrans-60.8-35.8-179.1-179.4-98.7000113Y37 M38Y37-Y41 WeakPolarHBondContact O-CB 3.25Å; Y37-Y41 PolarHBondContact O-N 2.81Å; M38-Y41 PolarHBondContact O-N 2.85Å
42F84.5Confident82.6Confident151 Ų15178.1 Ų78.166%0.66241%0.406SS*.Hα-helixtrans-86.1-25175.5-70.2-59.9000114M38 I40M38-F42 HydrophobicContact CB-CD2 4.43Å; M38-F42 HydrophobicContact CB-CE2 4.41Å; M38-F42 HydrophobicContact CE-CE2 3.53Å; M38-F42 HydrophobicContact CE-CZ 4.06Å; M38-F42 WeakPolarHBondContact O-CD2 3.12Å; M38-F42 PolarHBondContact O-N 2.89Å; M38-F42 HydrophobicContact SD-CE2 4.04Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.91Å
43G75.8Confident82.3Confident59 Ų5977 Ų7761%0.60840%0.401SS*.Hα-helixtrans-85-38.4-174.400000113.8V39 I40V39-G43 WeakPolarHBondContact O-CA 3.18Å; V39-G43 PolarHBondContact O-N 2.88Å; I40-G43 PolarHBondContact O-N 2.83Å
44D66.9Low82.1Confident60 Ų6079 Ų7932%0.32141%0.406SS..  trans-118.3132.5-172.3-10127.8000111.7I40 L46 R49I40-D44 PolarHBondContact O-N 2.83Å; D44-L46 HydrophobicContact CB-CD2 3.78Å; D44-L46 HydrophobicContact CB-CG 3.99Å; D44-L46 PolarHBondContact O-N 2.91Å; D44-R49 IonicContact OD2-NH1 3.35Å; D44-R49 PolarHBondContact OD2-NH1 3.41Å
45D65.2Low82Confident95 Ų9574.6 Ų74.651%0.50838%0.383SS..  trans-75.672.4160.3-171.1-5.9000109T47 H48 R49D45-T47 PolarHBondContact O-N 3.05Å; D45-T47 VanDerWaalsContact O-N 3.1Å; D45-T47 PolarHBondContact OD1-N 3.01Å; D45-T47 PolarHBondContact OD1-OG1 2.91Å; D45-H48 PolarHBondContact O-N 3.5Å; D45-H48 IonicContact OD1-CD2 3.79Å; D45-H48 PolarHBondContact OD1-CD2 2.9Å; D45-H48 VanDerWaalsContact OD1-CD2 3.24Å; D45-H48 IonicContact OD1-CG 3.39Å; D45-H48 PolarHBondContact OD1-N 3.19Å; D45-H48 WeakPolarHBondContact OD2-CB 3.5Å; D45-H48 IonicContact OD2-CD2 3.75Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-CG 3.24Å; D45-R49 PolarHBondContact O-N 3.09Å
46L62.5Low81.8Confident51 Ų5175 Ų7527%0.26738%0.382SS..THydrogen-bonded Turntrans-56.6-25.7179.4-68.7-179.5000112.6I40 D44 V271I40-L46 HydrophobicContact CG2-CD1 3.73Å; I40-L46 HydrophobicContact CG2-CD2 4.32Å; I40-L46 HydrophobicContact CG2-CG 4.28Å; D44-L46 HydrophobicContact CB-CD2 3.78Å; D44-L46 HydrophobicContact CB-CG 3.99Å; D44-L46 PolarHBondContact O-N 2.91Å; L46-V271 HydrophobicContact CD1-CG2 3.67Å; L46-V271 HydrophobicContact CD2-CG2 3.46Å; L46-V271 VanDerWaalsContact CD2-CG2 3.46Å; L46-V271 HydrophobicContact CG-CG2 4.16Å
47T62Low81.6Confident100 Ų10075.1 Ų75.161%0.61338%0.382SS*.THydrogen-bonded Turntrans-74.9-30.9-17831.30000113.2D45D45-T47 PolarHBondContact O-N 3.05Å; D45-T47 VanDerWaalsContact O-N 3.1Å; D45-T47 PolarHBondContact OD1-N 3.01Å; D45-T47 PolarHBondContact OD1-OG1 2.91Å
48H63.7Low81.6Confident134 Ų13471.7 Ų71.762%0.6237%0.373SS*.SBendtrans-123.222.7-170.3-58.9-67.9000114.8D45 V50D45-H48 PolarHBondContact O-N 3.5Å; D45-H48 IonicContact OD1-CD2 3.79Å; D45-H48 PolarHBondContact OD1-CD2 2.9Å; D45-H48 VanDerWaalsContact OD1-CD2 3.24Å; D45-H48 IonicContact OD1-CG 3.39Å; D45-H48 PolarHBondContact OD1-N 3.19Å; D45-H48 WeakPolarHBondContact OD2-CB 3.5Å; D45-H48 IonicContact OD2-CD2 3.75Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-CG 3.24Å; H48-V50 PolarHBondContact O-N 2.8Å
49R75.9Confident81.7Confident99 Ų9967.8 Ų67.837%0.37435%0.354SS..  trans-6699.3177.8-164.8168.7-175.1166.1-2.4111.3D44 D45 P262 E274D44-R49 IonicContact OD2-NH1 3.35Å; D44-R49 PolarHBondContact OD2-NH1 3.41Å; D45-R49 PolarHBondContact O-N 3.09Å; R49-P262 WeakPolarHBondContact O-CD 2.99Å; R49-E274 IonicContact NH1-OE1 3.34Å; R49-E274 PolarHBondContact NH1-OE1 3.5Å
50V84.9Confident81.7Confident68 Ų6870.2 Ų70.241%0.41236%0.362SS..  trans-85.1135.3171.21790000109H48 P180 I260H48-V50 PolarHBondContact O-N 2.8Å; V50-P180 HydrophobicContact CB-CB 4.47Å; V50-P180 HydrophobicContact CG1-CB 3.82Å; V50-P180 HydrophobicContact CG2-CB 3.79Å; V50-P180 HydrophobicContact CG2-CG 3.79Å; V50-I260 WeakPolarHBondContact CA-O 3.4Å
51I86.7Confident82Confident58 Ų5869.9 Ų69.930%0.29736%0.36SS..EExtended strand (participates in β ladder)trans-118.3148.4173.265.7173.8000110.1V53 S259 I260 P262I51-V53 HydrophobicContact CD1-CG2 3.95Å; I51-V53 HydrophobicContact CG1-CG2 4.06Å; I51-S259 WeakPolarHBondContact O-CA 3.45Å; I51-I260 HydrophobicContact CD1-CD1 3.95Å; I51-I260 HydrophobicContact CD1-CG1 3.98Å; I51-I260 HydrophobicContact CG1-CD1 3.97Å; I51-I260 HydrophobicContact CG1-CG1 3.42Å; I51-I260 VanDerWaalsContact CG1-CG1 3.42Å; I51-I260 PolarHBondContact N-O 2.64Å; I51-I260 PolarHBondContact O-N 3.46Å; I51-P262 HydrophobicContact CD1-CG 3.89Å; I51-P262 HydrophobicContact CG1-CG 3.94Å; I51-P262 HydrophobicContact CG2-CG 4.11Å
52S90.2Very high82.2Confident89 Ų8964.6 Ų64.662%0.62234%0.342SS*.EExtended strand (participates in β ladder)trans-99.6123.7173.3-60.30000109.4Y258S52-Y258 CarbonylContact C-O 3.59Å; S52-Y258 WeakPolarHBondContact CA-O 3.35Å
53V89.3Confident82.5Confident7 Ų763.2 Ų63.24%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-120.2130.9-177.3177.30000109.4I51 E55 Q145 T257 Y258 I260I51-V53 HydrophobicContact CD1-CG2 3.95Å; I51-V53 HydrophobicContact CG1-CG2 4.06Å; V53-E55 HydrophobicContact CG1-CB 4.34Å; V53-Q145 HydrophobicContact CG1-CB 4.01Å; V53-Q145 HydrophobicContact CG1-CG 3.79Å; V53-Q145 HydrophobicContact CG2-CB 4.49Å; V53-T257 CarbonylContact O-C 3.53Å; V53-T257 WeakPolarHBondContact O-CA 3.44Å; V53-Y258 PolarHBondContact N-O 2.86Å; V53-Y258 PolarHBondContact O-N 3.19Å; V53-I260 HydrophobicContact CB-CD1 4.39Å; V53-I260 HydrophobicContact CG2-CD1 3.55Å; V53-I260 HydrophobicContact CG2-CG1 3.96Å
54K92.3Very high83.2Confident130 Ų13063 Ų6357%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-88.9120.2168.9-164.8-172.9-170.4-142.80108.6E255 D256K54-E255 VanDerWaalsContact CE-OE2 3.23Å; K54-E255 WeakPolarHBondContact CE-OE2 3.13Å; K54-E255 IonicContact NZ-OE2 3.33Å; K54-E255 PolarHBondContact NZ-OE2 3.48Å; K54-D256 WeakPolarHBondContact CA-O 3.07Å
55E90.9Very high84.4Confident6 Ų661.3 Ų61.33%0.02831%0.307CS..EExtended strand (participates in β ladder)trans-143.5148.3-178.3179.1166.8169.700109.9V53 P57 L142 K143 Q144 Q145 D256 Y258V53-E55 HydrophobicContact CG1-CB 4.34Å; E55-P57 WeakPolarHBondContact O-CD 3.42Å; E55-L142 HydrophobicContact CB-CD2 4.31Å; E55-L142 HydrophobicContact CG-CD2 3.96Å; E55-K143 PolarHBondContact OE1-N 2.82Å; E55-Q144 VanDerWaalsContact CD-CB 3.48Å; E55-Q144 HydrophobicContact CG-CB 4.09Å; E55-Q144 HydrophobicContact CG-CG 3.95Å; E55-Q144 WeakPolarHBondContact OE1-CB 3.47Å; E55-Q144 WeakPolarHBondContact OE1-CG 3.36Å; E55-Q144 PolarHBondContact OE1-N 3.45Å; E55-Q145 PolarHBondContact OE2-N 3.01Å; E55-D256 PolarHBondContact N-O 2.97Å; E55-D256 VanDerWaalsContact N-O 3.12Å; E55-D256 PolarHBondContact O-N 2.9Å; E55-Y258 HydrophobicContact CB-CD2 4.2Å; E55-Y258 HydrophobicContact CB-CE2 4.19Å; E55-Y258 WeakPolarHBondContact O-CE2 3.14Å
56H89.9Confident85.7Confident31 Ų3156.8 Ų56.814%0.14428%0.283CS..  trans-85.4113.7166.4-160.3-74.2000108.6Y253 E255H56-Y253 PolarHBondContact CE1-O 3.43Å; H56-Y253 VanDerWaalsContact CE1-O 3.32Å; H56-Y253 PolarHBondContact NE2-O 3.01Å; H56-E255 HydrophobicContact CB-CG 3.96Å
57P90.2Very high87.2Confident2 Ų254.4 Ų54.41%0.01327%0.271CS..  trans-68.9149.8179.431.8-36.9000110.5E55 I59 F140 L142 A254 Y258E55-P57 WeakPolarHBondContact O-CD 3.42Å; P57-I59 HydrophobicContact CB-CD1 4.17Å; P57-I59 HydrophobicContact CB-CG1 3.87Å; P57-I59 HydrophobicContact CG-CD1 3.71Å; P57-I59 HydrophobicContact CG-CG1 3.86Å; P57-F140 HydrophobicContact CB-CD2 4.04Å; P57-F140 HydrophobicContact CB-CE2 3.3Å; P57-F140 HydrophobicContact CB-CZ 3.76Å; P57-F140 HydrophobicContact CG-CE2 4Å; P57-L142 HydrophobicContact CB-CD2 4.12Å; P57-A254 WeakPolarHBondContact CD-O 3.1Å; P57-Y258 WeakPolarHBondContact CD-OH 3.2Å; P57-Y258 VanDerWaalsContact CG-OH 3.24Å; P57-Y258 WeakPolarHBondContact CG-OH 3.22Å
58L90.1Very high88.7Confident67 Ų6749.6 Ų49.635%0.35124%0.241SC..EExtended strand (participates in β ladder)trans-88.4105165.1179.165.7000107.3L111 Q141L58-L111 HydrophobicContact CD1-CD2 4.46Å; L58-Q141 HydrophobicContact CB-CB 4.21Å; L58-Q141 PolarHBondContact N-O 2.73Å; L58-Q141 PolarHBondContact O-N 3.44Å
59I91.5Very high90.1Very high3 Ų343.2 Ų43.22%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-113131.9179.1-53.4-176000107.9P57 F138 D139 F140 L173 Y253P57-I59 HydrophobicContact CB-CD1 4.17Å; P57-I59 HydrophobicContact CB-CG1 3.87Å; P57-I59 HydrophobicContact CG-CD1 3.71Å; P57-I59 HydrophobicContact CG-CG1 3.86Å; I59-F138 HydrophobicContact CG2-CB 3.9Å; I59-F138 HydrophobicContact CG2-CD1 3.78Å; I59-F138 HydrophobicContact CG2-CG 4.11Å; I59-D139 WeakPolarHBondContact CA-O 3.47Å; I59-F140 HydrophobicContact CD1-CD2 4.01Å; I59-F140 HydrophobicContact CD1-CE2 4.27Å; I59-F140 HydrophobicContact CG1-CD2 3.87Å; I59-F140 HydrophobicContact CG1-CE2 4.35Å; I59-L173 HydrophobicContact CD1-CD2 3.85Å; I59-L173 HydrophobicContact CD1-CG 4.33Å; I59-L173 HydrophobicContact CG2-CD2 4.06Å; I59-Y253 HydrophobicContact CB-CD1 4.19Å; I59-Y253 HydrophobicContact CB-CD2 3.82Å; I59-Y253 HydrophobicContact CB-CE1 4.29Å; I59-Y253 HydrophobicContact CB-CE2 3.89Å; I59-Y253 HydrophobicContact CB-CG 3.98Å; I59-Y253 HydrophobicContact CD1-CD1 4.05Å; I59-Y253 HydrophobicContact CD1-CG 4.19Å; I59-Y253 HydrophobicContact CG1-CG 4.47Å; I59-Y253 HydrophobicContact CG2-CD1 4.16Å; I59-Y253 HydrophobicContact CG2-CD2 4.33Å; I59-Y253 HydrophobicContact CG2-CE1 3.82Å; I59-Y253 HydrophobicContact CG2-CE2 3.97Å; I59-Y253 HydrophobicContact CG2-CG 4.42Å; I59-Y253 WeakPolarHBondContact O-CE2 3.2Å
60Q91.4Very high91Very high108 Ų10840.6 Ų40.651%0.50520%0.202SC..EExtended strand (participates in β ladder)trans-130134.9172.9-176.1177.1-27.100109N62 F138 D139Q60-N62 PolarHBondContact O-OD1 2.83Å; Q60-F138 CarbonylContact O-C 3.56Å; Q60-F138 VanDerWaalsContact O-CA 3.29Å; Q60-F138 WeakPolarHBondContact O-CA 3.38Å; Q60-F138 WeakPolarHBondContact O-CB 3.48Å; Q60-D139 PolarHBondContact N-O 3.25Å; Q60-D139 PolarHBondContact O-N 3.5Å
61F92.7Very high91.4Very high0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-75.6131174.6-177.1-120.5000111.5Y63 Y65 I101 E103 L115 L136 L137 F138F61-Y63 VanDerWaalsContact C-N 3.28Å; F61-Y63 HydrophobicContact CD1-CD1 4.06Å; F61-Y63 HydrophobicContact CD1-CD2 4.49Å; F61-Y63 HydrophobicContact CD1-CE1 4.32Å; F61-Y63 HydrophobicContact CD1-CG 4.16Å; F61-Y63 HydrophobicContact CE1-CD1 4.07Å; F61-Y63 HydrophobicContact CE1-CG 4.26Å; F61-Y63 WeakPolarHBondContact O-CD2 3.36Å; F61-Y63 WeakPolarHBondContact O-CE2 3.21Å; F61-Y63 PolarHBondContact O-N 2.84Å; F61-Y65 HydrophobicContact CZ-CD1 4.12Å; F61-I101 HydrophobicContact CD1-CG2 3.76Å; F61-I101 HydrophobicContact CE1-CD1 3.83Å; F61-I101 HydrophobicContact CE1-CG2 3.76Å; F61-E103 WeakPolarHBondContact CB-OE1 3.25Å; F61-E103 PolarHBondContact N-OE1 3.41Å; F61-L115 HydrophobicContact CB-CD1 3.91Å; F61-L115 HydrophobicContact CD1-CD1 4.08Å; F61-L115 HydrophobicContact CD2-CD2 4.37Å; F61-L115 HydrophobicContact CG-CD1 4Å; F61-L115 HydrophobicContact CG-CD2 4.42Å; F61-L136 HydrophobicContact CE2-CB 4.12Å; F61-L136 HydrophobicContact CE2-CD2 3.92Å; F61-L136 HydrophobicContact CZ-CD2 4.05Å; F61-L137 VanDerWaalsContact CD2-O 3.23Å; F61-L137 WeakPolarHBondContact CD2-O 3.3Å; F61-L137 WeakPolarHBondContact CE2-O 3.48Å; F61-F138 HydrophobicContact CB-CD1 3.98Å; F61-F138 HydrophobicContact CB-CE1 3.97Å; F61-F138 AromaticContact CD2-CD1 3.8Å; F61-F138 HydrophobicContact CD2-CD1 3.8Å; F61-F138 AromaticContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE1 3.49Å; F61-F138 VanDerWaalsContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE2 4.47Å; F61-F138 HydrophobicContact CD2-CG 4.4Å; F61-F138 AromaticContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CE2-CE1 4.41Å; F61-F138 HydrophobicContact CE2-CZ 4.34Å; F61-F138 HydrophobicContact CG-CD1 4.38Å; F61-F138 HydrophobicContact CG-CE1 4.12Å
62N89.7Confident91.4Very high39 Ų3941.5 Ų41.521%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-86.2-0.2-173.6-67.913.3000113.3Q60 D64 L137 D139Q60-N62 PolarHBondContact O-OD1 2.83Å; N62-D64 HydrophobicContact CB-CB 4.45Å; N62-D64 PolarHBondContact O-N 2.85Å; N62-D64 VanDerWaalsContact O-N 3.17Å; N62-L137 PolarHBondContact N-O 3.49Å; N62-L137 VanDerWaalsContact N-O 3.15Å; N62-D139 VanDerWaalsContact CG-CG 3.47Å; N62-D139 PolarHBondContact ND2-OD1 2.98Å; N62-D139 WeakPolarHBondContact OD1-CB 3.25Å; N62-D139 PolarHBondContact OD1-N 3.17Å; N62-D139 PolarHBondContact OD1-OD1 2.76Å; N62-D139 PolarHBondContact OD1-OD2 2.88Å
63Y91.5Very high91.2Very high121 Ų12140.2 Ų40.248%0.47519%0.193SC..EExtended strand (participates in β ladder)trans62.913.3-171.7-58.3-90.5000114.4F61 Y65 S82 I101F61-Y63 VanDerWaalsContact C-N 3.28Å; F61-Y63 HydrophobicContact CD1-CD1 4.06Å; F61-Y63 HydrophobicContact CD1-CD2 4.49Å; F61-Y63 HydrophobicContact CD1-CE1 4.32Å; F61-Y63 HydrophobicContact CD1-CG 4.16Å; F61-Y63 HydrophobicContact CE1-CD1 4.07Å; F61-Y63 HydrophobicContact CE1-CG 4.26Å; F61-Y63 WeakPolarHBondContact O-CD2 3.36Å; F61-Y63 WeakPolarHBondContact O-CE2 3.21Å; F61-Y63 PolarHBondContact O-N 2.84Å; Y63-Y65 WeakPolarHBondContact O-CD1 3.48Å; Y63-S82 WeakPolarHBondContact O-CB 3.4Å; Y63-S82 PolarHBondContact O-OG 2.81Å; Y63-I101 HydrophobicContact CD1-CD1 4.34Å; Y63-I101 HydrophobicContact CD1-CG2 4.49Å; Y63-I101 HydrophobicContact CE1-CB 4.38Å; Y63-I101 HydrophobicContact CE1-CG2 4.13Å
64D89.8Confident90.7Very high55 Ų5544.5 Ų44.529%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-95.3111.1175-84.3-12.8000110.7N62 S82 L137N62-D64 HydrophobicContact CB-CB 4.45Å; N62-D64 PolarHBondContact O-N 2.85Å; N62-D64 VanDerWaalsContact O-N 3.17Å; D64-S82 WeakPolarHBondContact CA-OG 3.37Å; D64-L137 HydrophobicContact CB-CB 3.82Å; D64-L137 HydrophobicContact CB-CD1 3.6Å; D64-L137 HydrophobicContact CB-CG 4.18Å; D64-L137 PolarHBondContact O-N 2.86Å
65Y92Very high90.3Very high24 Ų2443.3 Ų43.39%0.09423%0.229CC..EExtended strand (participates in β ladder)trans-147.7155.5-178.764.9-87.6000112.7F61 Y63 I67 W80 S81 S82 V99 I101 F117 R135F61-Y65 HydrophobicContact CZ-CD1 4.12Å; Y63-Y65 WeakPolarHBondContact O-CD1 3.48Å; Y65-I67 HydrophobicContact CD2-CD1 4.41Å; Y65-I67 HydrophobicContact CD2-CG1 4.5Å; Y65-W80 AromaticContact CE2-CD1 3.85Å; Y65-W80 AromaticContact CE2-NE1 3.89Å; Y65-S81 VanDerWaalsContact O-CA 3.3Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å; Y65-S81 WeakPolarHBondContact O-CB 3.18Å; Y65-S82 PolarHBondContact N-OG 2.84Å; Y65-S82 VanDerWaalsContact N-OG 3.12Å; Y65-S82 PolarHBondContact O-N 2.8Å; Y65-S82 PolarHBondContact O-OG 2.86Å; Y65-V99 HydrophobicContact CE2-CG2 4.47Å; Y65-I101 HydrophobicContact CD1-CD1 4.18Å; Y65-I101 HydrophobicContact CE1-CD1 3.76Å; Y65-F117 HydrophobicContact CD1-CE2 4.09Å; Y65-F117 HydrophobicContact CD2-CE2 4.01Å; Y65-F117 AromaticContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CE1-CE2 4.36Å; Y65-F117 HydrophobicContact CE2-CE2 4.28Å; Y65-F117 HydrophobicContact CE2-CZ 4.14Å; Y65-F117 AromaticContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CZ 4.24Å; Y65-R135 WeakPolarHBondContact CA-O 3.36Å; Y65-R135 WeakPolarHBondContact CB-O 3.39Å
66A92.2Very high90.3Very high1 Ų145.8 Ų45.81%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-144.4138.1171.700000110F79 W80 W86 I134 R135A66-F79 HydrophobicContact CB-CE2 4.44Å; A66-W80 WeakPolarHBondContact CA-O 3Å; A66-W86 HydrophobicContact CB-CE3 4.24Å; A66-W86 HydrophobicContact CB-CZ3 3.98Å; A66-I134 CarbonylContact O-C 3.56Å; A66-I134 WeakPolarHBondContact O-CA 3.21Å; A66-R135 PolarHBondContact N-O 3.23Å; A66-R135 VanDerWaalsContact N-O 3.11Å; A66-R135 PolarHBondContact O-N 2.86Å
67I93.7Very high90.4Very high0 Ų045.2 Ų45.20%024%0.238CC..EExtended strand (participates in β ladder)trans-127.4134.3-178.2-58.1168.5000108.6Y65 L69 W80 F117 A119 F121 K133 I134Y65-I67 HydrophobicContact CD2-CD1 4.41Å; Y65-I67 HydrophobicContact CD2-CG1 4.5Å; I67-L69 HydrophobicContact CG2-CD2 4.12Å; I67-L69 HydrophobicContact CG2-CG 4.43Å; I67-W80 PolarHBondContact N-O 2.9Å; I67-W80 PolarHBondContact O-N 3.06Å; I67-F117 HydrophobicContact CD1-CE1 3.91Å; I67-F117 HydrophobicContact CD1-CZ 3.83Å; I67-A119 HydrophobicContact CD1-CB 3.89Å; I67-F121 HydrophobicContact CB-CE2 4.35Å; I67-F121 HydrophobicContact CB-CZ 3.82Å; I67-F121 HydrophobicContact CD1-CE2 3.88Å; I67-F121 HydrophobicContact CD1-CZ 3.87Å; I67-F121 HydrophobicContact CG1-CZ 4.45Å; I67-F121 HydrophobicContact CG2-CE2 3.8Å; I67-F121 HydrophobicContact CG2-CZ 3.62Å; I67-K133 CarbonylContact C-O 3.58Å; I67-K133 WeakPolarHBondContact CA-O 3.38Å; I67-I134 HydrophobicContact CD1-CD1 3.93Å; I67-I134 HydrophobicContact CG1-CB 4.24Å; I67-I134 HydrophobicContact CG1-CD1 3.63Å; I67-I134 HydrophobicContact CG1-CG1 3.68Å
68I93.5Very high90.5Very high0 Ų046.1 Ų46.10%024%0.241CC..EExtended strand (participates in β ladder)trans-126.4128.2171.4-51.1-153.1000109.3Y70 Y77 Y78 F79 A132 K133 F207I68-Y70 HydrophobicContact CB-CE2 4.18Å; I68-Y70 HydrophobicContact CG2-CD1 4.43Å; I68-Y70 HydrophobicContact CG2-CD2 4.23Å; I68-Y70 HydrophobicContact CG2-CE1 3.97Å; I68-Y70 HydrophobicContact CG2-CE2 3.74Å; I68-Y77 HydrophobicContact CG2-CD2 4.06Å; I68-Y77 HydrophobicContact CG2-CG 4.35Å; I68-Y78 WeakPolarHBondContact CA-O 3.33Å; I68-F79 HydrophobicContact CD1-CD2 3.59Å; I68-F79 HydrophobicContact CD1-CE2 4Å; I68-F79 HydrophobicContact CG1-CD2 3.67Å; I68-F79 HydrophobicContact CG1-CE2 4.13Å; I68-A132 CarbonylContact O-C 3.58Å; I68-A132 WeakPolarHBondContact O-CA 3.25Å; I68-K133 PolarHBondContact N-O 3.17Å; I68-K133 PolarHBondContact O-N 3.02Å; I68-F207 HydrophobicContact CB-CE1 4.12Å; I68-F207 HydrophobicContact CD1-CD1 3.26Å; I68-F207 HydrophobicContact CD1-CE1 3.06Å; I68-F207 HydrophobicContact CD1-CG 4.41Å; I68-F207 HydrophobicContact CD1-CZ 4.04Å; I68-F207 HydrophobicContact CG1-CD1 4.04Å; I68-F207 HydrophobicContact CG1-CE1 3.29Å; I68-F207 HydrophobicContact CG1-CZ 3.87Å
69L94.5Very high90.7Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-108.8129171.4-52.9179000108.5I67 Y77 Y78 F121 M123 I129 A132 F245I67-L69 HydrophobicContact CG2-CD2 4.12Å; I67-L69 HydrophobicContact CG2-CG 4.43Å; L69-Y77 CarbonylContact O-C 3.23Å; L69-Y77 WeakPolarHBondContact O-CA 3.49Å; L69-Y77 WeakPolarHBondContact O-CB 3.4Å; L69-Y78 HydrophobicContact CB-CD2 4.23Å; L69-Y78 PolarHBondContact N-O 2.82Å; L69-Y78 PolarHBondContact O-N 2.84Å; L69-F121 HydrophobicContact CD1-CB 4.04Å; L69-F121 HydrophobicContact CD1-CD1 4.05Å; L69-F121 HydrophobicContact CD1-CD2 3.86Å; L69-F121 HydrophobicContact CD1-CE2 4.35Å; L69-F121 HydrophobicContact CD1-CG 3.7Å; L69-M123 HydrophobicContact CD1-CE 3.63Å; L69-I129 HydrophobicContact CB-CD1 3.99Å; L69-I129 HydrophobicContact CB-CG1 4.48Å; L69-I129 HydrophobicContact CB-CG2 4.01Å; L69-I129 HydrophobicContact CD2-CG2 4.44Å; L69-A132 HydrophobicContact CD2-CB 3.74Å; L69-F245 HydrophobicContact CD1-CB 4.3Å; L69-F245 HydrophobicContact CD1-CD1 3.66Å; L69-F245 HydrophobicContact CD1-CE1 4.29Å; L69-F245 HydrophobicContact CD1-CG 4.15Å; L69-F245 HydrophobicContact CD2-CD1 3.73Å; L69-F245 HydrophobicContact CD2-CE1 3.47Å; L69-F245 VanDerWaalsContact CD2-CE1 3.47Å; L69-F245 HydrophobicContact CD2-CZ 4.29Å; L69-F245 HydrophobicContact CG-CD1 4.35Å
70Y93.6Very high90.8Very high44 Ų4445.1 Ų45.117%0.17323%0.233CC..EExtended strand (participates in β ladder)trans-103.2131.2-180-63.4-85.5000110.4I68 I129 Y130 A131 K133I68-Y70 HydrophobicContact CB-CE2 4.18Å; I68-Y70 HydrophobicContact CG2-CD1 4.43Å; I68-Y70 HydrophobicContact CG2-CD2 4.23Å; I68-Y70 HydrophobicContact CG2-CE1 3.97Å; I68-Y70 HydrophobicContact CG2-CE2 3.74Å; Y70-I129 CarbonylContact O-C 3.51Å; Y70-I129 WeakPolarHBondContact O-CA 3.49Å; Y70-Y130 PolarHBondContact O-N 2.76Å; Y70-A131 HydrophobicContact CD2-CB 4.02Å; Y70-A131 HydrophobicContact CG-CB 4.38Å; Y70-A131 PolarHBondContact N-O 3.15Å; Y70-A131 PolarHBondContact O-N 2.89Å; Y70-K133 HydrophobicContact CE2-CB 4.35Å; Y70-K133 HydrophobicContact CE2-CD 3.83Å; Y70-K133 HydrophobicContact CE2-CG 3.91Å
71G93Very high90.8Very high7 Ų740 Ų407%0.07221%0.209CC..  trans-83.4-152.5176.900000113.2Q76 R128 Y130G71-Q76 WeakPolarHBondContact CA-O 3.43Å; G71-Q76 PolarHBondContact N-O 3.11Å; G71-R128 VanDerWaalsContact CA-O 3.23Å; G71-R128 WeakPolarHBondContact CA-O 3.37Å; G71-Y130 WeakPolarHBondContact O-CD2 3.11Å
72Q87.7Confident90.7Very high137 Ų13742 Ų4264%0.6422%0.222SC*.SBendtrans-74.1-34-176.7-175171.8400112.8Y130Q72-Y130 HydrophobicContact CB-CD2 4.43Å; Q72-Y130 HydrophobicContact CB-CE2 3.9Å; Q72-Y130 HydrophobicContact CG-CE2 4.31Å
73S86.6Confident90.6Very high62 Ų6241 Ų4143%0.43422%0.219SC..SBendtrans-109.1152.4179.9-61.20000110.2D75 Q76S73-D75 WeakPolarHBondContact CB-OD1 3.33Å; S73-D75 PolarHBondContact O-N 3.34Å; S73-D75 VanDerWaalsContact O-N 3.16Å; S73-Q76 PolarHBondContact O-N 3.49Å
74A78.4Confident90.4Very high97 Ų9741.1 Ų41.180%0.80223%0.227SC*.THydrogen-bonded Turntrans-62-23.418000000113.5
75D84.4Confident90.1Very high105 Ų10542.8 Ų42.856%0.56123%0.234SC*.THydrogen-bonded Turntrans-88.7-11.2175.869.2-27000113.3S73 Y77 R93S73-D75 WeakPolarHBondContact CB-OD1 3.33Å; S73-D75 PolarHBondContact O-N 3.34Å; S73-D75 VanDerWaalsContact O-N 3.16Å; D75-Y77 PolarHBondContact O-N 3.43Å; D75-R93 PolarHBondContact O-NH1 3.27Å; D75-R93 PolarHBondContact O-NH2 3.07Å
76Q89.5Confident89.6Confident58 Ų5842.7 Ų42.727%0.27123%0.233SC..  trans-93.198.5175.9-174-175.57.600108.2G71 S73 Y78G71-Q76 WeakPolarHBondContact CA-O 3.43Å; G71-Q76 PolarHBondContact N-O 3.11Å; S73-Q76 PolarHBondContact O-N 3.49Å; Q76-Y78 HydrophobicContact CG-CE2 4.47Å; Q76-Y78 PolarHBondContact NE2-OH 3.29Å
77Y92.2Very high89.4Confident19 Ų1943.2 Ų43.28%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-140.3154.9173.366.1-90.7000111.3I68 L69 D75 E90 R93 Q208I68-Y77 HydrophobicContact CG2-CD2 4.06Å; I68-Y77 HydrophobicContact CG2-CG 4.35Å; L69-Y77 CarbonylContact O-C 3.23Å; L69-Y77 WeakPolarHBondContact O-CA 3.49Å; L69-Y77 WeakPolarHBondContact O-CB 3.4Å; D75-Y77 PolarHBondContact O-N 3.43Å; Y77-E90 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E90 PolarHBondContact OH-OE1 3.45Å; Y77-E90 PolarHBondContact OH-OE2 2.88Å; Y77-R93 HydrophobicContact CD2-CB 4.46Å; Y77-R93 VanDerWaalsContact CE1-CD 3.44Å; Y77-R93 HydrophobicContact CE2-CB 4.13Å; Y77-R93 HydrophobicContact CE2-CG 4.34Å; Y77-R93 WeakPolarHBondContact OH-CD 3.37Å; Y77-R93 PolarHBondContact OH-NE 2.82Å; Y77-Q208 PolarHBondContact OH-NE2 3.4Å
78Y93.2Very high89Confident21 Ų2149.6 Ų49.68%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-117.4129.1179.2-51.6-78.5000108.7I68 L69 Q76 R93 R95 E127 I129I68-Y78 WeakPolarHBondContact CA-O 3.33Å; L69-Y78 HydrophobicContact CB-CD2 4.23Å; L69-Y78 PolarHBondContact N-O 2.82Å; L69-Y78 PolarHBondContact O-N 2.84Å; Q76-Y78 HydrophobicContact CG-CE2 4.47Å; Q76-Y78 PolarHBondContact NE2-OH 3.29Å; Y78-R93 WeakPolarHBondContact CA-O 3.37Å; Y78-R95 HydrophobicContact CD1-CB 4.25Å; Y78-R95 HydrophobicContact CG-CB 4.48Å; Y78-E127 WeakPolarHBondContact CE1-OE1 3.34Å; Y78-E127 VanDerWaalsContact CZ-CD 3.49Å; Y78-E127 WeakPolarHBondContact OH-CG 3.47Å; Y78-E127 PolarHBondContact OH-OE1 3.21Å; Y78-I129 HydrophobicContact CD2-CD1 3.64Å; Y78-I129 HydrophobicContact CE2-CD1 3.6Å
79F92.7Very high88.5Confident3 Ų355.2 Ų55.21%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-119.1141.1-172.9-179.1-99.2000111.2A66 I68 W86 N87 E90 R93 L94 R95 L204A66-F79 HydrophobicContact CB-CE2 4.44Å; I68-F79 HydrophobicContact CD1-CD2 3.59Å; I68-F79 HydrophobicContact CD1-CE2 4Å; I68-F79 HydrophobicContact CG1-CD2 3.67Å; I68-F79 HydrophobicContact CG1-CE2 4.13Å; F79-W86 HydrophobicContact CE1-CB 4.16Å; F79-W86 HydrophobicContact CZ-CB 4.08Å; F79-N87 WeakPolarHBondContact CE1-OD1 3.5Å; F79-E90 HydrophobicContact CB-CB 4.33Å; F79-E90 HydrophobicContact CD1-CB 3.72Å; F79-E90 HydrophobicContact CD1-CG 4.12Å; F79-E90 HydrophobicContact CE1-CB 4.32Å; F79-E90 HydrophobicContact CE1-CG 4.44Å; F79-E90 HydrophobicContact CG-CB 4.12Å; F79-E90 HydrophobicContact CG-CG 4.28Å; F79-R93 PolarHBondContact N-O 3.1Å; F79-L94 HydrophobicContact CD1-CD1 4.46Å; F79-L94 WeakPolarHBondContact O-CA 3.46Å; F79-R95 PolarHBondContact O-N 3.31Å; F79-L204 HydrophobicContact CZ-CD1 4.46Å
80W94.5Very high88Confident47 Ų4756.5 Ų56.518%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-150.7141.9163.8179.2-107.6000110.7Y65 A66 I67 L94 I96 P97 F121Y65-W80 AromaticContact CE2-CD1 3.85Å; Y65-W80 AromaticContact CE2-NE1 3.89Å; A66-W80 WeakPolarHBondContact CA-O 3Å; I67-W80 PolarHBondContact N-O 2.9Å; I67-W80 PolarHBondContact O-N 3.06Å; W80-L94 HydrophobicContact CE3-CD1 3.61Å; W80-L94 HydrophobicContact CE3-CD2 4.49Å; W80-L94 HydrophobicContact CE3-CG 4.05Å; W80-L94 HydrophobicContact CZ3-CD1 3.96Å; W80-L94 HydrophobicContact CZ3-CD2 4.15Å; W80-L94 HydrophobicContact CZ3-CG 4.22Å; W80-I96 HydrophobicContact CE3-CB 4.37Å; W80-I96 HydrophobicContact CE3-CG1 4.08Å; W80-I96 HydrophobicContact CE3-CG2 4.39Å; W80-I96 HydrophobicContact CH2-CG1 4.45Å; W80-I96 HydrophobicContact CH2-CG2 4Å; W80-I96 HydrophobicContact CZ2-CG2 4.35Å; W80-I96 HydrophobicContact CZ3-CB 4.25Å; W80-I96 HydrophobicContact CZ3-CD1 4.36Å; W80-I96 HydrophobicContact CZ3-CG1 3.73Å; W80-I96 HydrophobicContact CZ3-CG2 4.03Å; W80-P97 HydrophobicContact CB-CG 4.13Å; W80-P97 VanDerWaalsContact CD2-CD 3.46Å; W80-P97 HydrophobicContact CD2-CG 4.29Å; W80-P97 HydrophobicContact CG-CG 3.65Å; W80-F121 HydrophobicContact CB-CE1 3.74Å; W80-F121 HydrophobicContact CB-CZ 4.08Å
81S92.1Very high87.6Confident0 Ų059.9 Ų59.90%032%0.318CS..EExtended strand (participates in β ladder)trans-144.4164.5173.771.90000112Y65 S83 W86 N87Y65-S81 VanDerWaalsContact O-CA 3.3Å; Y65-S81 WeakPolarHBondContact O-CA 3.46Å; Y65-S81 WeakPolarHBondContact O-CB 3.18Å; S81-S83 PolarHBondContact O-N 3.06Å; S81-S83 PolarHBondContact OG-N 2.77Å; S81-S83 PolarHBondContact OG-O 3.05Å; S81-W86 WeakPolarHBondContact OG-CB 3.4Å; S81-N87 PolarHBondContact N-OD1 2.51Å; S81-N87 VanDerWaalsContact N-OD1 3.11Å; S81-N87 PolarHBondContact O-ND2 2.88Å; S81-N87 PolarHBondContact O-OD1 3.29Å; S81-N87 PolarHBondContact OG-OD1 3.11Å
82S90.7Very high87.4Confident41 Ų4167.6 Ų67.629%0.28736%0.358SS..SBendtrans-71.7-15.1171.459.30000113.7Y63 D64 Y65Y63-S82 WeakPolarHBondContact O-CB 3.4Å; Y63-S82 PolarHBondContact O-OG 2.81Å; D64-S82 WeakPolarHBondContact CA-OG 3.37Å; Y65-S82 PolarHBondContact N-OG 2.84Å; Y65-S82 VanDerWaalsContact N-OG 3.12Å; Y65-S82 PolarHBondContact O-N 2.8Å; Y65-S82 PolarHBondContact O-OG 2.86Å
83S87.1Confident87.4Confident20 Ų2065.1 Ų65.114%0.1434%0.343CS..  trans-93.9119.7-176.8176.70000112S81 Q85 W86 N87S81-S83 PolarHBondContact O-N 3.06Å; S81-S83 PolarHBondContact OG-N 2.77Å; S81-S83 PolarHBondContact OG-O 3.05Å; S83-Q85 PolarHBondContact O-N 2.88Å; S83-Q85 PolarHBondContact OG-N 2.94Å; S83-W86 PolarHBondContact O-N 2.97Å; S83-N87 VanDerWaalsContact O-CG 3.25Å; S83-N87 PolarHBondContact O-N 2.89Å; S83-N87 PolarHBondContact O-ND2 3.01Å
84D87Confident87.7Confident122 Ų12264.6 Ų64.665%0.65234%0.335SS*.Hα-helixtrans-59-37.1175.2-71.7-29.6000112.5W86 N87 Q88D84-W86 VanDerWaalsContact C-N 3.3Å; D84-W86 PolarHBondContact O-N 2.83Å; D84-N87 PolarHBondContact O-N 2.82Å; D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 VanDerWaalsContact O-CG 3.25Å; D84-Q88 WeakPolarHBondContact O-CG 3.33Å; D84-Q88 PolarHBondContact O-N 2.95Å
85Q83.9Confident88.4Confident91 Ų9162.6 Ų62.643%0.42531%0.306SS..Hα-helixtrans-61.6-39.9179.6-67.8-179.4-25.600111.6S83 Q89S83-Q85 PolarHBondContact O-N 2.88Å; S83-Q85 PolarHBondContact OG-N 2.94Å; Q85-Q89 WeakPolarHBondContact O-CG 3.29Å; Q85-Q89 PolarHBondContact O-N 3.4Å
86W81Confident88.9Confident21 Ų2162.5 Ų62.58%0.0831%0.305CS..Hα-helixtrans-74.4-41.2178.4-66.5-3.7000111.6A66 F79 S81 S83 D84 Q88 Q89 E90 Q200 T203 L204A66-W86 HydrophobicContact CB-CE3 4.24Å; A66-W86 HydrophobicContact CB-CZ3 3.98Å; F79-W86 HydrophobicContact CE1-CB 4.16Å; F79-W86 HydrophobicContact CZ-CB 4.08Å; S81-W86 WeakPolarHBondContact OG-CB 3.4Å; S83-W86 PolarHBondContact O-N 2.97Å; D84-W86 VanDerWaalsContact C-N 3.3Å; D84-W86 PolarHBondContact O-N 2.83Å; W86-Q88 PolarHBondContact O-N 3.41Å; W86-Q89 PolarHBondContact O-N 2.98Å; W86-E90 PolarHBondContact O-N 3.12Å; W86-Q200 PolarHBondContact NE1-O 2.86Å; W86-T203 WeakPolarHBondContact CZ2-OG1 3.48Å; W86-L204 HydrophobicContact CB-CD1 3.54Å; W86-L204 HydrophobicContact CD2-CD1 4.4Å; W86-L204 HydrophobicContact CG-CD1 3.65Å
87N87.9Confident89.2Confident13 Ų1360.3 Ų60.37%0.0730%0.296CS..Hα-helixtrans-60.8-33.3176-65.1-21.2000111.7F79 S81 S83 D84 E90 L91 L94F79-N87 WeakPolarHBondContact CE1-OD1 3.5Å; S81-N87 PolarHBondContact N-OD1 2.51Å; S81-N87 VanDerWaalsContact N-OD1 3.11Å; S81-N87 PolarHBondContact O-ND2 2.88Å; S81-N87 PolarHBondContact O-OD1 3.29Å; S81-N87 PolarHBondContact OG-OD1 3.11Å; S83-N87 VanDerWaalsContact O-CG 3.25Å; S83-N87 PolarHBondContact O-N 2.89Å; S83-N87 PolarHBondContact O-ND2 3.01Å; D84-N87 PolarHBondContact O-N 2.82Å; N87-E90 PolarHBondContact O-N 2.74Å; N87-L91 PolarHBondContact O-N 2.84Å; N87-L94 HydrophobicContact CB-CD1 3.92Å
88Q85.8Confident89.4Confident134 Ų13464.1 Ų64.163%0.62632%0.321SS*.Hα-helixtrans-69.2-30174.4-75173.711.700113.8D84 W86 L91D84-Q88 WeakPolarHBondContact O-CB 3.33Å; D84-Q88 VanDerWaalsContact O-CG 3.25Å; D84-Q88 WeakPolarHBondContact O-CG 3.33Å; D84-Q88 PolarHBondContact O-N 2.95Å; W86-Q88 PolarHBondContact O-N 3.41Å; Q88-L91 WeakPolarHBondContact O-CD1 3.21Å; Q88-L91 WeakPolarHBondContact O-CG 3.36Å
89Q83.2Confident89.6Confident117 Ų11765.1 Ų65.155%0.54733%0.329SS..Hα-helixtrans-75.8-29177.9-69.7175.4-7.700112Q85 W86 L204Q85-Q89 WeakPolarHBondContact O-CG 3.29Å; Q85-Q89 PolarHBondContact O-N 3.4Å; W86-Q89 PolarHBondContact O-N 2.98Å; Q89-L204 HydrophobicContact CB-CD1 4.28Å; Q89-L204 VanDerWaalsContact OE1-CD1 3.25Å
90E83.6Confident89.8Confident27 Ų2770.7 Ų70.713%0.12636%0.355CS..THydrogen-bonded Turntrans-111.628.6-175-66.2-68.3160.400113.1Y77 F79 W86 N87 N92 R93 L94 L204 Q208Y77-E90 WeakPolarHBondContact CE2-OE2 3.27Å; Y77-E90 PolarHBondContact OH-OE1 3.45Å; Y77-E90 PolarHBondContact OH-OE2 2.88Å; F79-E90 HydrophobicContact CB-CB 4.33Å; F79-E90 HydrophobicContact CD1-CB 3.72Å; F79-E90 HydrophobicContact CD1-CG 4.12Å; F79-E90 HydrophobicContact CE1-CB 4.32Å; F79-E90 HydrophobicContact CE1-CG 4.44Å; F79-E90 HydrophobicContact CG-CB 4.12Å; F79-E90 HydrophobicContact CG-CG 4.28Å; W86-E90 PolarHBondContact O-N 3.12Å; N87-E90 PolarHBondContact O-N 2.74Å; E90-N92 PolarHBondContact O-N 3.38Å; E90-R93 PolarHBondContact O-N 2.74Å; E90-R93 WeakPolarHBondContact OE2-CD 3.36Å; E90-L94 PolarHBondContact O-N 3.23Å; E90-L204 HydrophobicContact CG-CD1 4.42Å; E90-L204 HydrophobicContact CG-CD2 4.01Å; E90-Q208 PolarHBondContact OE1-NE2 3.22Å
91L85.8Confident89.9Confident115 Ų11570.3 Ų70.360%0.60236%0.356SS*.G310 helixtrans-50.5-37.6-174.8-76.8167.5000114.3N87 Q88 R93N87-L91 PolarHBondContact O-N 2.84Å; Q88-L91 WeakPolarHBondContact O-CD1 3.21Å; Q88-L91 WeakPolarHBondContact O-CG 3.36Å; L91-R93 PolarHBondContact O-N 2.89Å
92N87.8Confident90Very high169 Ų16975.7 Ų75.790%0.90438%0.377SS*.G310 helixtrans-73-8.9-177.9-66.7-23.5000113.7E90E90-N92 PolarHBondContact O-N 3.38Å
93R88.4Confident90.1Very high86 Ų8674.8 Ų74.833%0.32537%0.369SS..G310 helixtrans-1307.6-172.4-57.5-177.9-175.2-82.514.6112.6D75 Y77 Y78 F79 E90 L91 R95D75-R93 PolarHBondContact O-NH1 3.27Å; D75-R93 PolarHBondContact O-NH2 3.07Å; Y77-R93 HydrophobicContact CD2-CB 4.46Å; Y77-R93 VanDerWaalsContact CE1-CD 3.44Å; Y77-R93 HydrophobicContact CE2-CB 4.13Å; Y77-R93 HydrophobicContact CE2-CG 4.34Å; Y77-R93 WeakPolarHBondContact OH-CD 3.37Å; Y77-R93 PolarHBondContact OH-NE 2.82Å; Y78-R93 WeakPolarHBondContact CA-O 3.37Å; F79-R93 PolarHBondContact N-O 3.1Å; E90-R93 PolarHBondContact O-N 2.74Å; E90-R93 WeakPolarHBondContact OE2-CD 3.36Å; L91-R93 PolarHBondContact O-N 2.89Å; R93-R95 PolarHBondContact O-N 3.2Å
94L91.8Very high90.2Very high50 Ų5075.8 Ų75.826%0.26237%0.374SS..BIsolated β-bridgetrans-67.7127.1-179.5-164.575.3000109.6F79 W80 N87 E90 I96F79-L94 HydrophobicContact CD1-CD1 4.46Å; F79-L94 WeakPolarHBondContact O-CA 3.46Å; W80-L94 HydrophobicContact CE3-CD1 3.61Å; W80-L94 HydrophobicContact CE3-CD2 4.49Å; W80-L94 HydrophobicContact CE3-CG 4.05Å; W80-L94 HydrophobicContact CZ3-CD1 3.96Å; W80-L94 HydrophobicContact CZ3-CD2 4.15Å; W80-L94 HydrophobicContact CZ3-CG 4.22Å; N87-L94 HydrophobicContact CB-CD1 3.92Å; E90-L94 PolarHBondContact O-N 3.23Å; L94-I96 HydrophobicContact CD2-CD1 4.35Å; L94-I96 HydrophobicContact CD2-CG1 4.09Å; L94-I96 HydrophobicContact CG-CG1 4.28Å
95R93.6Very high90Very high55 Ų5576.6 Ų76.621%0.20837%0.369CS..  trans-127.3109.2168.3-172.768.475-178.34.9108Y78 F79 R93 P97 F121 P122 M123 E124 E127Y78-R95 HydrophobicContact CD1-CB 4.25Å; Y78-R95 HydrophobicContact CG-CB 4.48Å; F79-R95 PolarHBondContact O-N 3.31Å; R93-R95 PolarHBondContact O-N 3.2Å; R95-P97 WeakPolarHBondContact O-CD 3.22Å; R95-F121 HydrophobicContact CB-CD1 4.27Å; R95-F121 HydrophobicContact CG-CD1 4.13Å; R95-F121 WeakPolarHBondContact O-CD1 3.09Å; R95-F121 WeakPolarHBondContact O-CE1 3.35Å; R95-P122 VanDerWaalsContact CD-O 3.25Å; R95-P122 WeakPolarHBondContact CD-O 3.37Å; R95-P122 HydrophobicContact CG-CG 4.43Å; R95-M123 HydrophobicContact CG-CE 4.39Å; R95-E124 IonicContact CZ-OE1 3.61Å; R95-E124 IonicContact NH1-OE1 3.97Å; R95-E124 PolarHBondContact NH1-OE1 3.32Å; R95-E124 IonicContact NH2-OE1 3.27Å; R95-E124 PolarHBondContact NH2-OE1 3.06Å; R95-E127 IonicContact CZ-OE1 3.31Å; R95-E127 IonicContact CZ-OE2 2.81Å; R95-E127 IonicContact NH2-OE1 2.95Å; R95-E127 PolarHBondContact NH2-OE1 3.46Å; R95-E127 IonicContact NH2-OE2 3.51Å; R95-E127 PolarHBondContact NH2-OE2 2.88Å
96I94.7Very high89.1Confident103 Ų10379.8 Ų79.853%0.52838%0.378SS..  trans-78.7115.3-173.3-51.7179.6000109.4W80 L94 P122W80-I96 HydrophobicContact CE3-CB 4.37Å; W80-I96 HydrophobicContact CE3-CG1 4.08Å; W80-I96 HydrophobicContact CE3-CG2 4.39Å; W80-I96 HydrophobicContact CH2-CG1 4.45Å; W80-I96 HydrophobicContact CH2-CG2 4Å; W80-I96 HydrophobicContact CZ2-CG2 4.35Å; W80-I96 HydrophobicContact CZ3-CB 4.25Å; W80-I96 HydrophobicContact CZ3-CD1 4.36Å; W80-I96 HydrophobicContact CZ3-CG1 3.73Å; W80-I96 HydrophobicContact CZ3-CG2 4.03Å; L94-I96 HydrophobicContact CD2-CD1 4.35Å; L94-I96 HydrophobicContact CD2-CG1 4.09Å; L94-I96 HydrophobicContact CG-CG1 4.28Å; I96-P122 WeakPolarHBondContact O-CD 3.44Å; I96-P122 WeakPolarHBondContact O-CG 3.48Å
97P96.3Very high88.2Confident12 Ų1285.7 Ų85.78%0.07841%0.411CS..  trans-87.5163.9174.934.6-30.8000112.1W80 R95 V99 A119 S120 F121W80-P97 HydrophobicContact CB-CG 4.13Å; W80-P97 VanDerWaalsContact CD2-CD 3.46Å; W80-P97 HydrophobicContact CD2-CG 4.29Å; W80-P97 HydrophobicContact CG-CG 3.65Å; R95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-V99 HydrophobicContact CB-CG2 4.22Å; P97-V99 HydrophobicContact CG-CG2 3.63Å; P97-A119 HydrophobicContact CB-CB 4.49Å; P97-S120 CarbonylContact C-O 3.58Å; P97-S120 WeakPolarHBondContact CA-O 3.49Å; P97-S120 WeakPolarHBondContact CB-O 3.29Å; P97-F121 HydrophobicContact CB-CB 4.49Å; P97-F121 HydrophobicContact CB-CD1 3.78Å; P97-F121 HydrophobicContact CB-CD2 3.85Å; P97-F121 HydrophobicContact CB-CE1 3.82Å; P97-F121 HydrophobicContact CB-CE2 3.87Å; P97-F121 HydrophobicContact CB-CG 3.79Å; P97-F121 HydrophobicContact CB-CZ 3.85Å; P97-F121 HydrophobicContact CG-CD1 4.12Å; P97-F121 HydrophobicContact CG-CE1 3.66Å; P97-F121 HydrophobicContact CG-CE2 4.09Å; P97-F121 HydrophobicContact CG-CZ 3.63Å
98V97.1Very high87Confident99 Ų9991.9 Ų91.960%0.644%0.444SS*.EExtended strand (participates in β ladder)trans-84.4119.5159.8-179.30000107.5A119 S120V98-A119 CarbonylContact O-C 3.57Å; V98-A119 WeakPolarHBondContact O-CA 3.35Å; V98-S120 PolarHBondContact N-O 3.01Å; V98-S120 PolarHBondContact O-N 3.32Å
99V96.7Very high86.1Confident43 Ų4391.4 Ų91.426%0.26145%0.446SS..EExtended strand (participates in β ladder)trans-114.8128.3-176.6-168.60000110.1Y65 P97 I101 F117 S118 A119Y65-V99 HydrophobicContact CE2-CG2 4.47Å; P97-V99 HydrophobicContact CB-CG2 4.22Å; P97-V99 HydrophobicContact CG-CG2 3.63Å; V99-I101 HydrophobicContact CG1-CD1 3.78Å; V99-I101 HydrophobicContact CG1-CG1 3.64Å; V99-F117 HydrophobicContact CG1-CE2 3.94Å; V99-F117 HydrophobicContact CG1-CZ 3.96Å; V99-S118 CarbonylContact C-O 3.55Å; V99-S118 WeakPolarHBondContact CA-O 3.35Å; V99-A119 HydrophobicContact CG2-CB 4.26Å
100E97Very high85.4Confident120 Ų12092.5 Ų92.556%0.56146%0.456SS*.EExtended strand (participates in β ladder)trans-119.5120.8174.6-61.3-176.9168.100108.6S118E100-S118 PolarHBondContact N-O 2.86Å; E100-S118 PolarHBondContact O-N 3.38Å
101I96Very high85.1Confident39 Ų3993.9 Ų93.920%0.246%0.463CS..EExtended strand (participates in β ladder)trans-132.6125-178-45.6-177.9000107.8F61 Y63 Y65 V99 L115 K116 F117F61-I101 HydrophobicContact CD1-CG2 3.76Å; F61-I101 HydrophobicContact CE1-CD1 3.83Å; F61-I101 HydrophobicContact CE1-CG2 3.76Å; Y63-I101 HydrophobicContact CD1-CD1 4.34Å; Y63-I101 HydrophobicContact CD1-CG2 4.49Å; Y63-I101 HydrophobicContact CE1-CB 4.38Å; Y63-I101 HydrophobicContact CE1-CG2 4.13Å; Y65-I101 HydrophobicContact CD1-CD1 4.18Å; Y65-I101 HydrophobicContact CE1-CD1 3.76Å; V99-I101 HydrophobicContact CG1-CD1 3.78Å; V99-I101 HydrophobicContact CG1-CG1 3.64Å; I101-L115 HydrophobicContact CG2-CD1 3.92Å; I101-K116 WeakPolarHBondContact CA-O 3.48Å; I101-F117 HydrophobicContact CD1-CD2 3.67Å; I101-F117 HydrophobicContact CD1-CE2 3.58Å; I101-F117 HydrophobicContact CG1-CD2 3.71Å; I101-F117 HydrophobicContact CG1-CE2 3.98Å; I101-F117 HydrophobicContact CG2-CD2 4.36Å
102Y94.1Very high84.9Confident112 Ų11289 Ų8944%0.43944%0.438SS..EExtended strand (participates in β ladder)trans-150.7141.6171.260.1-81.1000111.1T104 K116Y102-T104 HydrophobicContact CD2-CG2 3.9Å; Y102-T104 HydrophobicContact CE2-CG2 3.91Å; Y102-K116 HydrophobicContact CD1-CB 4.29Å; Y102-K116 HydrophobicContact CD2-CB 4.41Å; Y102-K116 HydrophobicContact CE1-CB 3.88Å; Y102-K116 HydrophobicContact CE1-CD 4.32Å; Y102-K116 HydrophobicContact CE2-CB 4.05Å; Y102-K116 HydrophobicContact CE2-CD 3.53Å; Y102-K116 HydrophobicContact CE2-CG 4.26Å; Y102-K116 VanDerWaalsContact CZ-CD 3.4Å; Y102-K116 PolarHBondContact N-O 3.31Å; Y102-K116 PolarHBondContact O-N 3.49Å; Y102-K116 WeakPolarHBondContact OH-CD 3.41Å
103E92.9Very high84.9Confident23 Ų2385 Ų8511%0.10741%0.414CS..EExtended strand (participates in β ladder)trans-97.4132.7173.8-75.1-170.5139.800109.1F61 V112 Q114 L115 Y253F61-E103 WeakPolarHBondContact CB-OE1 3.25Å; F61-E103 PolarHBondContact N-OE1 3.41Å; E103-V112 HydrophobicContact CB-CG1 3.65Å; E103-V112 HydrophobicContact CB-CG2 4.47Å; E103-V112 HydrophobicContact CG-CG1 3.95Å; E103-Q114 CarbonylContact C-O 3.54Å; E103-Q114 WeakPolarHBondContact CA-O 3.37Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; E103-Y253 PolarHBondContact OE1-OH 3.4Å
104T89.4Confident85.1Confident40 Ų4083 Ų8325%0.24541%0.408CS..EExtended strand (participates in β ladder)trans-102.1136.5178.359.60000111Y102 E113 Q114Y102-T104 HydrophobicContact CD2-CG2 3.9Å; Y102-T104 HydrophobicContact CE2-CG2 3.91Å; T104-E113 PolarHBondContact O-N 2.94Å; T104-Q114 PolarHBondContact N-O 3.34Å; T104-Q114 PolarHBondContact O-N 3.39Å; T104-Q114 WeakPolarHBondContact OG1-CB 3.49Å; T104-Q114 PolarHBondContact OG1-O 3.41Å
105Y83.8Confident85.2Confident140 Ų14080.6 Ų80.655%0.54940%0.396SS..EExtended strand (participates in β ladder)trans-107.4142.5176.5-54.4-93.6000109.4V112Y105-V112 HydrophobicContact CD1-CG2 3.93Å; Y105-V112 HydrophobicContact CE1-CB 4.31Å; Y105-V112 HydrophobicContact CE1-CG2 3.28Å
106Y65.2Low85.4Confident157 Ų15781 Ų8162%0.61640%0.399SS*.  trans-97.6145.4165.1-150.1-95.5000110.9D108 E113Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.02Å; Y106-E113 VanDerWaalsContact CB-CD 3.43Å; Y106-E113 VanDerWaalsContact CB-OE1 3.29Å; Y106-E113 WeakPolarHBondContact CB-OE1 3.31Å; Y106-E113 WeakPolarHBondContact CB-OE2 3.49Å
107N60.4Low85.5Confident146 Ų14676.1 Ų76.178%0.78137%0.374SS*.THydrogen-bonded Turntrans-59.4-24.5-153.7-85.4-23.2000117.1
108D64Low85.5Confident142 Ų14277 Ų7776%0.75938%0.381SS*.THydrogen-bonded Turntrans-93.4-22.7-162.7-74-20.9000114.9Y106Y106-D108 VanDerWaalsContact C-N 3.3Å; Y106-D108 PolarHBondContact O-N 3.02Å
109N66Low85.5Confident124 Ų12472.3 Ų72.366%0.66335%0.352SS*.THydrogen-bonded Turntrans-129.13-168.5-68.6-24.4000116.2L111N109-L111 HydrophobicContact CB-CD1 4.06Å; N109-L111 HydrophobicContact CB-CG 4.02Å; N109-L111 PolarHBondContact O-N 2.8Å
110N69Low85.5Confident141 Ų14172 Ų7275%0.75435%0.352SS*.  trans53.521.4-172.9-74.6-6.5000114.4
111L77.5Confident85.5Confident55 Ų5566.3 Ų66.329%0.28833%0.326SS..  trans-86.7135.2175.8-64.6174.7000109.1L58 N109 E113L58-L111 HydrophobicContact CD1-CD2 4.46Å; N109-L111 HydrophobicContact CB-CD1 4.06Å; N109-L111 HydrophobicContact CB-CG 4.02Å; N109-L111 PolarHBondContact O-N 2.8Å; L111-E113 PolarHBondContact O-N 2.96Å
112V81.8Confident85.6Confident13 Ų1367.4 Ų67.48%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-69.4128.6167.5-173.60000107.4E103 Y105 Y253E103-V112 HydrophobicContact CB-CG1 3.65Å; E103-V112 HydrophobicContact CB-CG2 4.47Å; E103-V112 HydrophobicContact CG-CG1 3.95Å; Y105-V112 HydrophobicContact CD1-CG2 3.93Å; Y105-V112 HydrophobicContact CE1-CB 4.31Å; Y105-V112 HydrophobicContact CE1-CG2 3.28Å; V112-Y253 HydrophobicContact CB-CD2 3.89Å; V112-Y253 HydrophobicContact CB-CE2 3.87Å; V112-Y253 HydrophobicContact CG1-CD2 3.62Å; V112-Y253 HydrophobicContact CG1-CE2 3.31Å; V112-Y253 WeakPolarHBondContact O-CD2 3.4Å
113E86.8Confident85.6Confident85 Ų8562.7 Ų62.740%0.39732%0.317SS..EExtended strand (participates in β ladder)trans-109.4-25.6178.5-70.9-171.9174.800112.7T104 Y106 L111 N252 Y253T104-E113 PolarHBondContact O-N 2.94Å; Y106-E113 VanDerWaalsContact CB-CD 3.43Å; Y106-E113 VanDerWaalsContact CB-OE1 3.29Å; Y106-E113 WeakPolarHBondContact CB-OE1 3.31Å; Y106-E113 WeakPolarHBondContact CB-OE2 3.49Å; L111-E113 PolarHBondContact O-N 2.96Å; E113-N252 CarbonylContact O-C 3.53Å; E113-N252 WeakPolarHBondContact O-CA 3.17Å; E113-Y253 PolarHBondContact O-N 3.38Å
114Q92.5Very high85.6Confident43 Ų4366.4 Ų66.420%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-151.2137-175.3173.9-178.893.900112.5E103 T104 K116 V250 L251 N252E103-Q114 CarbonylContact C-O 3.54Å; E103-Q114 WeakPolarHBondContact CA-O 3.37Å; T104-Q114 PolarHBondContact N-O 3.34Å; T104-Q114 PolarHBondContact O-N 3.39Å; T104-Q114 WeakPolarHBondContact OG1-CB 3.49Å; T104-Q114 PolarHBondContact OG1-O 3.41Å; Q114-K116 HydrophobicContact CG-CG 4.27Å; Q114-V250 VanDerWaalsContact CD-CG1 3.42Å; Q114-V250 HydrophobicContact CG-CG1 3.83Å; Q114-V250 VanDerWaalsContact NE2-CG1 3.25Å; Q114-L251 CarbonylContact C-O 3.59Å; Q114-L251 WeakPolarHBondContact CA-O 3.49Å; Q114-L251 WeakPolarHBondContact CG-O 3.26Å; Q114-N252 PolarHBondContact NE2-OD1 3.26Å
115L95.5Very high85.6Confident0 Ų068.3 Ų68.30%036%0.355CS..EExtended strand (participates in β ladder)trans-94.2130.7165.2-179.173.9000109.2F61 I101 E103 F117 F138 V250 L251 Y253F61-L115 HydrophobicContact CB-CD1 3.91Å; F61-L115 HydrophobicContact CD1-CD1 4.08Å; F61-L115 HydrophobicContact CD2-CD2 4.37Å; F61-L115 HydrophobicContact CG-CD1 4Å; F61-L115 HydrophobicContact CG-CD2 4.42Å; I101-L115 HydrophobicContact CG2-CD1 3.92Å; E103-L115 HydrophobicContact CG-CD1 3.77Å; L115-F117 HydrophobicContact CD2-CB 4.29Å; L115-F117 HydrophobicContact CG-CB 4.44Å; L115-F138 HydrophobicContact CD2-CE1 3.77Å; L115-F138 HydrophobicContact CD2-CZ 3.84Å; L115-V250 WeakPolarHBondContact O-CA 3.37Å; L115-L251 HydrophobicContact CB-CB 4.25Å; L115-L251 HydrophobicContact CD2-CD1 3.96Å; L115-L251 HydrophobicContact CD2-CG 4.42Å; L115-L251 PolarHBondContact N-O 3.32Å; L115-L251 PolarHBondContact O-N 3.45Å; L115-Y253 HydrophobicContact CB-CE1 4.33Å
116K96Very high85.9Confident64 Ų6467 Ų6728%0.27836%0.361SS..EExtended strand (participates in β ladder)trans-113.5120.1162.6-66.2-177.2-173.1177.70109.1I101 Y102 Q114 I249 V250I101-K116 WeakPolarHBondContact CA-O 3.48Å; Y102-K116 HydrophobicContact CD1-CB 4.29Å; Y102-K116 HydrophobicContact CD2-CB 4.41Å; Y102-K116 HydrophobicContact CE1-CB 3.88Å; Y102-K116 HydrophobicContact CE1-CD 4.32Å; Y102-K116 HydrophobicContact CE2-CB 4.05Å; Y102-K116 HydrophobicContact CE2-CD 3.53Å; Y102-K116 HydrophobicContact CE2-CG 4.26Å; Y102-K116 VanDerWaalsContact CZ-CD 3.4Å; Y102-K116 PolarHBondContact N-O 3.31Å; Y102-K116 PolarHBondContact O-N 3.49Å; Y102-K116 WeakPolarHBondContact OH-CD 3.41Å; Q114-K116 HydrophobicContact CG-CG 4.27Å; K116-I249 WeakPolarHBondContact CA-O 3.32Å; K116-V250 HydrophobicContact CG-CG2 4.48Å
117F97.2Very high87.2Confident0 Ų060.1 Ų60.10%034%0.335CS..EExtended strand (participates in β ladder)trans-124.7120.2178.6175.6-74.6000108.1Y65 I67 V99 I101 L115 A119 I134 L136 I249Y65-F117 HydrophobicContact CD1-CE2 4.09Å; Y65-F117 HydrophobicContact CD2-CE2 4.01Å; Y65-F117 AromaticContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CD2-CZ 3.89Å; Y65-F117 HydrophobicContact CE1-CE2 4.36Å; Y65-F117 HydrophobicContact CE2-CE2 4.28Å; Y65-F117 HydrophobicContact CE2-CZ 4.14Å; Y65-F117 AromaticContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CE2 3.91Å; Y65-F117 HydrophobicContact CG-CZ 4.24Å; I67-F117 HydrophobicContact CD1-CE1 3.91Å; I67-F117 HydrophobicContact CD1-CZ 3.83Å; V99-F117 HydrophobicContact CG1-CE2 3.94Å; V99-F117 HydrophobicContact CG1-CZ 3.96Å; I101-F117 HydrophobicContact CD1-CD2 3.67Å; I101-F117 HydrophobicContact CD1-CE2 3.58Å; I101-F117 HydrophobicContact CG1-CD2 3.71Å; I101-F117 HydrophobicContact CG1-CE2 3.98Å; I101-F117 HydrophobicContact CG2-CD2 4.36Å; L115-F117 HydrophobicContact CD2-CB 4.29Å; L115-F117 HydrophobicContact CG-CB 4.44Å; F117-A119 HydrophobicContact CE1-CB 3.75Å; F117-A119 HydrophobicContact CZ-CB 4.18Å; F117-I134 HydrophobicContact CD1-CD1 4.29Å; F117-I134 HydrophobicContact CE1-CD1 3.75Å; F117-I134 HydrophobicContact CZ-CD1 4.12Å; F117-L136 HydrophobicContact CD2-CD2 4.31Å; F117-L136 HydrophobicContact CE2-CD2 4.3Å; F117-I249 HydrophobicContact CB-CB 4.17Å; F117-I249 HydrophobicContact CD1-CB 4.43Å; F117-I249 HydrophobicContact CD1-CD1 3.97Å; F117-I249 HydrophobicContact CD1-CG1 4.23Å; F117-I249 PolarHBondContact N-O 3.06Å; F117-I249 PolarHBondContact O-N 2.97Å
118S97Very high88.8Confident32 Ų3257.9 Ų57.922%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-125.5131.2176-71.70000109.5V99 E100 V247 N248V99-S118 CarbonylContact C-O 3.55Å; V99-S118 WeakPolarHBondContact CA-O 3.35Å; E100-S118 PolarHBondContact N-O 2.86Å; E100-S118 PolarHBondContact O-N 3.38Å; S118-V247 CarbonylContact C-O 3.48Å; S118-V247 VanDerWaalsContact CA-O 3.27Å; S118-V247 WeakPolarHBondContact CA-O 3.4Å; S118-N248 PolarHBondContact OG-OD1 3.34Å
119A97.4Very high90.3Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-134.1117.9175.900000110.6I67 P97 V98 V99 F117 F121 V247I67-A119 HydrophobicContact CD1-CB 3.89Å; P97-A119 HydrophobicContact CB-CB 4.49Å; V98-A119 CarbonylContact O-C 3.57Å; V98-A119 WeakPolarHBondContact O-CA 3.35Å; V99-A119 HydrophobicContact CG2-CB 4.26Å; F117-A119 HydrophobicContact CE1-CB 3.75Å; F117-A119 HydrophobicContact CZ-CB 4.18Å; A119-F121 HydrophobicContact CB-CE2 4.05Å; A119-V247 HydrophobicContact CB-CB 4.38Å; A119-V247 PolarHBondContact N-O 3.25Å; A119-V247 PolarHBondContact O-N 3.07Å
120S97.1Very high91.7Very high37 Ų3748 Ų4826%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-105.9108.5178.2-71.90000110.3P97 V98 D246P97-S120 CarbonylContact C-O 3.58Å; P97-S120 WeakPolarHBondContact CA-O 3.49Å; P97-S120 WeakPolarHBondContact CB-O 3.29Å; V98-S120 PolarHBondContact N-O 3.01Å; V98-S120 PolarHBondContact O-N 3.32Å; S120-D246 VanDerWaalsContact CB-OD1 3.25Å; S120-D246 WeakPolarHBondContact CB-OD1 3.37Å; S120-D246 PolarHBondContact OG-OD1 3.41Å
121F96.8Very high92.9Very high0 Ų042.5 Ų42.50%023%0.232CC..EExtended strand (participates in β ladder)trans-87.7128.3177.1-71.2-99.2000110.5I67 L69 W80 R95 P97 A119 M123 R244 F245I67-F121 HydrophobicContact CB-CE2 4.35Å; I67-F121 HydrophobicContact CB-CZ 3.82Å; I67-F121 HydrophobicContact CD1-CE2 3.88Å; I67-F121 HydrophobicContact CD1-CZ 3.87Å; I67-F121 HydrophobicContact CG1-CZ 4.45Å; I67-F121 HydrophobicContact CG2-CE2 3.8Å; I67-F121 HydrophobicContact CG2-CZ 3.62Å; L69-F121 HydrophobicContact CD1-CB 4.04Å; L69-F121 HydrophobicContact CD1-CD1 4.05Å; L69-F121 HydrophobicContact CD1-CD2 3.86Å; L69-F121 HydrophobicContact CD1-CE2 4.35Å; L69-F121 HydrophobicContact CD1-CG 3.7Å; W80-F121 HydrophobicContact CB-CE1 3.74Å; W80-F121 HydrophobicContact CB-CZ 4.08Å; R95-F121 HydrophobicContact CB-CD1 4.27Å; R95-F121 HydrophobicContact CG-CD1 4.13Å; R95-F121 WeakPolarHBondContact O-CD1 3.09Å; R95-F121 WeakPolarHBondContact O-CE1 3.35Å; P97-F121 HydrophobicContact CB-CB 4.49Å; P97-F121 HydrophobicContact CB-CD1 3.78Å; P97-F121 HydrophobicContact CB-CD2 3.85Å; P97-F121 HydrophobicContact CB-CE1 3.82Å; P97-F121 HydrophobicContact CB-CE2 3.87Å; P97-F121 HydrophobicContact CB-CG 3.79Å; P97-F121 HydrophobicContact CB-CZ 3.85Å; P97-F121 HydrophobicContact CG-CD1 4.12Å; P97-F121 HydrophobicContact CG-CE1 3.66Å; P97-F121 HydrophobicContact CG-CE2 4.09Å; P97-F121 HydrophobicContact CG-CZ 3.63Å; A119-F121 HydrophobicContact CB-CE2 4.05Å; F121-M123 HydrophobicContact CB-CE 3.36Å; F121-M123 HydrophobicContact CG-CE 4.25Å; F121-R244 CarbonylContact O-C 3.59Å; F121-R244 WeakPolarHBondContact O-CA 3.36Å; F121-R244 WeakPolarHBondContact O-CB 3.08Å; F121-F245 HydrophobicContact CB-CB 4.42Å; F121-F245 PolarHBondContact N-O 3.21Å; F121-F245 PolarHBondContact O-N 3.47Å
122P96.5Very high93.7Very high62 Ų6239.9 Ų39.940%0.40322%0.219SC..EExtended strand (participates in β ladder)trans-69.3134.4170.827.2-30.1000110R95 I96R95-P122 VanDerWaalsContact CD-O 3.25Å; R95-P122 WeakPolarHBondContact CD-O 3.37Å; R95-P122 HydrophobicContact CG-CG 4.43Å; I96-P122 WeakPolarHBondContact O-CD 3.44Å; I96-P122 WeakPolarHBondContact O-CG 3.48Å
123M94.4Very high94.3Very high12 Ų1241.6 Ų41.66%0.05923%0.225CC..  trans-123.2140.5-177.8-66.2-72.8137.200110.4L69 R95 F121 E127 I129 A239 G243 F245L69-M123 HydrophobicContact CD1-CE 3.63Å; R95-M123 HydrophobicContact CG-CE 4.39Å; F121-M123 HydrophobicContact CB-CE 3.36Å; F121-M123 HydrophobicContact CG-CE 4.25Å; M123-E127 HydrophobicContact SD-CB 4.42Å; M123-I129 HydrophobicContact SD-CD1 3.96Å; M123-I129 HydrophobicContact SD-CG1 4.09Å; M123-A239 HydrophobicContact CB-CB 4.36Å; M123-A239 HydrophobicContact CG-CB 3.95Å; M123-G243 PolarHBondContact N-O 3.34Å; M123-G243 CarbonylContact O-C 3.55Å; M123-G243 WeakPolarHBondContact O-CA 3.36Å; M123-F245 HydrophobicContact CE-CB 4.08Å; M123-F245 HydrophobicContact CG-CB 3.93Å; M123-F245 HydrophobicContact SD-CB 4.41Å
124E92.8Very high94.6Very high102 Ų10237.5 Ų37.548%0.47721%0.206SC..  trans-82.6154.3173.7-63.5170.8-152.900111R95 T126 E127 G240R95-E124 IonicContact CZ-OE1 3.61Å; R95-E124 IonicContact NH1-OE1 3.97Å; R95-E124 PolarHBondContact NH1-OE1 3.32Å; R95-E124 IonicContact NH2-OE1 3.27Å; R95-E124 PolarHBondContact NH2-OE1 3.06Å; E124-T126 PolarHBondContact O-N 2.86Å; E124-E127 HydrophobicContact CB-CG 3.91Å; E124-E127 PolarHBondContact N-OE2 2.76Å; E124-E127 WeakPolarHBondContact O-CB 3.44Å; E124-E127 PolarHBondContact O-N 3.44Å; E124-G240 WeakPolarHBondContact O-CA 3.45Å
125A90.6Very high94.5Very high80 Ų8036.2 Ų36.266%0.66120%0.199SC*.THydrogen-bonded Turntrans-57.7-15.7-172.900000116G240A125-G240 WeakPolarHBondContact CA-O 3.34Å
126T90.2Very high94.3Very high113 Ų11336.2 Ų36.269%0.69320%0.199SC*.THydrogen-bonded Turntrans-101.6-9.5179.763.20000113.6E124E124-T126 PolarHBondContact O-N 2.86Å
127E92.3Very high94.1Very high11 Ų1133.5 Ų33.55%0.05119%0.188CC..  trans-85.2134.7-173.3-59.7-178.5139.600110.9Y78 R95 M123 E124 G240Y78-E127 WeakPolarHBondContact CE1-OE1 3.34Å; Y78-E127 VanDerWaalsContact CZ-CD 3.49Å; Y78-E127 WeakPolarHBondContact OH-CG 3.47Å; Y78-E127 PolarHBondContact OH-OE1 3.21Å; R95-E127 IonicContact CZ-OE1 3.31Å; R95-E127 IonicContact CZ-OE2 2.81Å; R95-E127 IonicContact NH2-OE1 2.95Å; R95-E127 PolarHBondContact NH2-OE1 3.46Å; R95-E127 IonicContact NH2-OE2 3.51Å; R95-E127 PolarHBondContact NH2-OE2 2.88Å; M123-E127 HydrophobicContact SD-CB 4.42Å; E124-E127 HydrophobicContact CB-CG 3.91Å; E124-E127 PolarHBondContact N-OE2 2.76Å; E124-E127 WeakPolarHBondContact O-CB 3.44Å; E124-E127 PolarHBondContact O-N 3.44Å; E127-G240 WeakPolarHBondContact O-CA 3.14Å; E127-G240 PolarHBondContact O-N 3.24Å; E127-G240 VanDerWaalsContact O-N 3.16Å
128R93.8Very high93.9Very high99 Ų9933.5 Ų33.537%0.37419%0.188SC..  trans-133.2133.7179.2-66.6-170.5179.5101.86.7109.3G71 Y130 D238G71-R128 VanDerWaalsContact CA-O 3.23Å; G71-R128 WeakPolarHBondContact CA-O 3.37Å; R128-Y130 HydrophobicContact CB-CE2 3.77Å; R128-D238 IonicContact CZ-OD2 3.51Å; R128-D238 IonicContact NE-OD2 3.03Å; R128-D238 PolarHBondContact NE-OD2 2.95Å; R128-D238 IonicContact NH2-OD2 3.47Å; R128-D238 PolarHBondContact NH2-OD2 3.14Å
129I95.2Very high93.5Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-108.2124.7-175.4-54.1-53.2000109.2L69 Y70 Y78 M123 A131 S163 G164 W234 A239 F245L69-I129 HydrophobicContact CB-CD1 3.99Å; L69-I129 HydrophobicContact CB-CG1 4.48Å; L69-I129 HydrophobicContact CB-CG2 4.01Å; L69-I129 HydrophobicContact CD2-CG2 4.44Å; Y70-I129 CarbonylContact O-C 3.51Å; Y70-I129 WeakPolarHBondContact O-CA 3.49Å; Y78-I129 HydrophobicContact CD2-CD1 3.64Å; Y78-I129 HydrophobicContact CE2-CD1 3.6Å; M123-I129 HydrophobicContact SD-CD1 3.96Å; M123-I129 HydrophobicContact SD-CG1 4.09Å; I129-A131 WeakPolarHBondContact CG2-O 3.2Å; I129-S163 CarbonylContact O-C 3.55Å; I129-S163 VanDerWaalsContact O-CA 3.23Å; I129-S163 WeakPolarHBondContact O-CA 3.48Å; I129-G164 PolarHBondContact O-N 3.15Å; I129-W234 HydrophobicContact CG2-CH2 4.07Å; I129-A239 HydrophobicContact CG1-CB 4.44Å; I129-F245 HydrophobicContact CB-CD2 4.02Å; I129-F245 HydrophobicContact CB-CE2 4.03Å; I129-F245 HydrophobicContact CG1-CD2 4.02Å; I129-F245 HydrophobicContact CG1-CG 4.33Å; I129-F245 HydrophobicContact CG2-CD2 4.26Å; I129-F245 HydrophobicContact CG2-CE2 3.93Å; I129-F245 HydrophobicContact CG2-CZ 4.16Å
130Y95Very high93.2Very high60 Ų6035 Ų3524%0.23519%0.193CC..EExtended strand (participates in β ladder)trans-111.1-24.7-177.9-68.9-91.1000113Y70 G71 Q72 R128 S160Y70-Y130 PolarHBondContact O-N 2.76Å; G71-Y130 WeakPolarHBondContact O-CD2 3.11Å; Q72-Y130 HydrophobicContact CB-CD2 4.43Å; Q72-Y130 HydrophobicContact CB-CE2 3.9Å; Q72-Y130 HydrophobicContact CG-CE2 4.31Å; R128-Y130 HydrophobicContact CB-CE2 3.77Å; Y130-S160 PolarHBondContact O-N 2.82Å
131A94.3Very high92.9Very high24 Ų2436.1 Ų36.120%0.19819%0.194CC..EExtended strand (participates in β ladder)trans-143.4155.2176.400000110.6Y70 I129 H158Y70-A131 HydrophobicContact CD2-CB 4.02Å; Y70-A131 HydrophobicContact CG-CB 4.38Å; Y70-A131 PolarHBondContact N-O 3.15Å; Y70-A131 PolarHBondContact O-N 2.89Å; I129-A131 WeakPolarHBondContact CG2-O 3.2Å; A131-H158 CarbonylContact C-O 3.04Å; A131-H158 WeakPolarHBondContact CA-O 3.42Å; A131-H158 WeakPolarHBondContact CB-O 3.46Å
132A94.3Very high92.5Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-140.7146.3177.100000109.9I68 L69 D157 H158 W167 W234I68-A132 CarbonylContact O-C 3.58Å; I68-A132 WeakPolarHBondContact O-CA 3.25Å; L69-A132 HydrophobicContact CD2-CB 3.74Å; A132-D157 WeakPolarHBondContact O-CA 3.32Å; A132-H158 PolarHBondContact N-O 2.91Å; A132-H158 PolarHBondContact O-N 2.79Å; A132-W167 HydrophobicContact CB-CD2 4.21Å; A132-W167 HydrophobicContact CB-CE3 3.44Å; A132-W167 VanDerWaalsContact CB-CE3 3.44Å; A132-W167 HydrophobicContact CB-CH2 4.3Å; A132-W167 HydrophobicContact CB-CZ3 3.5Å; A132-W234 HydrophobicContact CB-CH2 4.35Å; A132-W234 HydrophobicContact CB-CZ3 4Å
133K93.6Very high91.9Very high49 Ų4939.7 Ų39.721%0.21320%0.204CC..EExtended strand (participates in β ladder)trans-133.3134.7173-70.9-177.1-177.8-179.70108.8I67 I68 Y70 M155 F156 D157 F207I67-K133 CarbonylContact C-O 3.58Å; I67-K133 WeakPolarHBondContact CA-O 3.38Å; I68-K133 PolarHBondContact N-O 3.17Å; I68-K133 PolarHBondContact O-N 3.02Å; Y70-K133 HydrophobicContact CE2-CB 4.35Å; Y70-K133 HydrophobicContact CE2-CD 3.83Å; Y70-K133 HydrophobicContact CE2-CG 3.91Å; K133-M155 HydrophobicContact CB-CE 4.31Å; K133-M155 HydrophobicContact CD-CE 3.74Å; K133-M155 HydrophobicContact CG-CE 4.19Å; K133-F156 CarbonylContact C-O 3.46Å; K133-F156 WeakPolarHBondContact CA-O 3.43Å; K133-D157 HydrophobicContact CD-CB 4.43Å; K133-D157 HydrophobicContact CG-CB 3.78Å; K133-F207 HydrophobicContact CB-CE1 4.43Å; K133-F207 HydrophobicContact CB-CZ 4.29Å
134I93.7Very high91.3Very high0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-131.1142172.5-174.6169.1000110.2A66 I67 F117 L136 M155 F156 W167 I169 I249A66-I134 CarbonylContact O-C 3.56Å; A66-I134 WeakPolarHBondContact O-CA 3.21Å; I67-I134 HydrophobicContact CD1-CD1 3.93Å; I67-I134 HydrophobicContact CG1-CB 4.24Å; I67-I134 HydrophobicContact CG1-CD1 3.63Å; I67-I134 HydrophobicContact CG1-CG1 3.68Å; F117-I134 HydrophobicContact CD1-CD1 4.29Å; F117-I134 HydrophobicContact CE1-CD1 3.75Å; F117-I134 HydrophobicContact CZ-CD1 4.12Å; I134-L136 HydrophobicContact CD1-CD2 3.89Å; I134-L136 HydrophobicContact CD1-CG 4.28Å; I134-L136 HydrophobicContact CG1-CD2 4.2Å; I134-L136 HydrophobicContact CG1-CG 4.29Å; I134-M155 VanDerWaalsContact O-CA 3.31Å; I134-M155 WeakPolarHBondContact O-CA 3.23Å; I134-F156 HydrophobicContact CG2-CB 3.8Å; I134-F156 HydrophobicContact CG2-CD2 3.85Å; I134-F156 HydrophobicContact CG2-CG 4.33Å; I134-F156 PolarHBondContact N-O 3.41Å; I134-F156 PolarHBondContact O-N 2.88Å; I134-W167 HydrophobicContact CB-CZ3 4.18Å; I134-W167 HydrophobicContact CG2-CH2 3.75Å; I134-W167 HydrophobicContact CG2-CZ3 3.74Å; I134-I169 HydrophobicContact CG2-CD1 4.16Å; I134-I249 HydrophobicContact CD1-CD1 3.42Å; I134-I249 VanDerWaalsContact CD1-CD1 3.42Å; I134-I249 HydrophobicContact CG1-CD1 4.47Å; I134-I249 HydrophobicContact CG2-CD1 4.04Å
135R90.1Very high90.7Very high16 Ų1646.3 Ų46.36%0.0623%0.234CC..EExtended strand (participates in β ladder)trans-116.1137.6169.8169.5-170174.3169.92.2109Y65 A66 L137 Y153 V154 T203 F207Y65-R135 WeakPolarHBondContact CA-O 3.36Å; Y65-R135 WeakPolarHBondContact CB-O 3.39Å; A66-R135 PolarHBondContact N-O 3.23Å; A66-R135 VanDerWaalsContact N-O 3.11Å; A66-R135 PolarHBondContact O-N 2.86Å; R135-L137 VanDerWaalsContact NH2-CD1 3.26Å; R135-Y153 VanDerWaalsContact CD-CE2 3.45Å; R135-Y153 HydrophobicContact CG-CD2 4.16Å; R135-Y153 HydrophobicContact CG-CE2 3.53Å; R135-Y153 VanDerWaalsContact NE-CE2 3.27Å; R135-V154 CarbonylContact C-O 3.59Å; R135-V154 WeakPolarHBondContact CA-O 3.49Å; R135-T203 PolarHBondContact NH1-OG1 3.01Å; R135-F207 HydrophobicContact CB-CE2 4.24Å
136L92.8Very high90.3Very high0 Ų042.7 Ų42.70%020%0.204CC..EExtended strand (participates in β ladder)trans-130.8141.9172.4-58.6172.9000109.3F61 F117 I134 F138 V154 F156 I249 L251F61-L136 HydrophobicContact CE2-CB 4.12Å; F61-L136 HydrophobicContact CE2-CD2 3.92Å; F61-L136 HydrophobicContact CZ-CD2 4.05Å; F117-L136 HydrophobicContact CD2-CD2 4.31Å; F117-L136 HydrophobicContact CE2-CD2 4.3Å; I134-L136 HydrophobicContact CD1-CD2 3.89Å; I134-L136 HydrophobicContact CD1-CG 4.28Å; I134-L136 HydrophobicContact CG1-CD2 4.2Å; I134-L136 HydrophobicContact CG1-CG 4.29Å; L136-F138 HydrophobicContact CB-CD2 4.46Å; L136-F138 HydrophobicContact CB-CE2 3.52Å; L136-F138 HydrophobicContact CB-CZ 3.9Å; L136-F138 HydrophobicContact CD1-CE2 4.39Å; L136-F138 HydrophobicContact CD1-CZ 4.12Å; L136-V154 HydrophobicContact CB-CB 4.41Å; L136-V154 PolarHBondContact N-O 2.79Å; L136-V154 PolarHBondContact O-N 2.99Å; L136-F156 HydrophobicContact CD1-CE2 4.36Å; L136-I249 HydrophobicContact CD1-CD1 4.23Å; L136-I249 HydrophobicContact CD1-CG2 4.47Å; L136-L251 HydrophobicContact CD1-CD1 4.01Å
137L91.1Very high90Very high7 Ų741.2 Ų41.24%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-117.7138174.3-71.8172.7000110.6F61 N62 D64 R135 T151 L152 Y153F61-L137 VanDerWaalsContact CD2-O 3.23Å; F61-L137 WeakPolarHBondContact CD2-O 3.3Å; F61-L137 WeakPolarHBondContact CE2-O 3.48Å; N62-L137 PolarHBondContact N-O 3.49Å; N62-L137 VanDerWaalsContact N-O 3.15Å; D64-L137 HydrophobicContact CB-CB 3.82Å; D64-L137 HydrophobicContact CB-CD1 3.6Å; D64-L137 HydrophobicContact CB-CG 4.18Å; D64-L137 PolarHBondContact O-N 2.86Å; R135-L137 VanDerWaalsContact NH2-CD1 3.26Å; L137-T151 HydrophobicContact CD2-CG2 3.93Å; L137-L152 WeakPolarHBondContact CA-O 3.5Å; L137-Y153 HydrophobicContact CD2-CD2 3.77Å; L137-Y153 HydrophobicContact CD2-CG 4.36Å
138F92Very high89.7Confident0 Ų042.3 Ų42.30%020%0.197CC..EExtended strand (participates in β ladder)trans-131.9150.2179.2-55-97.9000110.6I59 Q60 F61 L115 L136 T151 L152 V154 L173 L251 Y253I59-F138 HydrophobicContact CG2-CB 3.9Å; I59-F138 HydrophobicContact CG2-CD1 3.78Å; I59-F138 HydrophobicContact CG2-CG 4.11Å; Q60-F138 CarbonylContact O-C 3.56Å; Q60-F138 VanDerWaalsContact O-CA 3.29Å; Q60-F138 WeakPolarHBondContact O-CA 3.38Å; Q60-F138 WeakPolarHBondContact O-CB 3.48Å; F61-F138 HydrophobicContact CB-CD1 3.98Å; F61-F138 HydrophobicContact CB-CE1 3.97Å; F61-F138 AromaticContact CD2-CD1 3.8Å; F61-F138 HydrophobicContact CD2-CD1 3.8Å; F61-F138 AromaticContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE1 3.49Å; F61-F138 VanDerWaalsContact CD2-CE1 3.49Å; F61-F138 HydrophobicContact CD2-CE2 4.47Å; F61-F138 HydrophobicContact CD2-CG 4.4Å; F61-F138 AromaticContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CD2-CZ 3.84Å; F61-F138 HydrophobicContact CE2-CE1 4.41Å; F61-F138 HydrophobicContact CE2-CZ 4.34Å; F61-F138 HydrophobicContact CG-CD1 4.38Å; F61-F138 HydrophobicContact CG-CE1 4.12Å; L115-F138 HydrophobicContact CD2-CE1 3.77Å; L115-F138 HydrophobicContact CD2-CZ 3.84Å; L136-F138 HydrophobicContact CB-CD2 4.46Å; L136-F138 HydrophobicContact CB-CE2 3.52Å; L136-F138 HydrophobicContact CB-CZ 3.9Å; L136-F138 HydrophobicContact CD1-CE2 4.39Å; L136-F138 HydrophobicContact CD1-CZ 4.12Å; F138-T151 CarbonylContact O-C 3.53Å; F138-T151 WeakPolarHBondContact O-CA 3.36Å; F138-L152 HydrophobicContact CB-CB 4.13Å; F138-L152 HydrophobicContact CB-CD2 4.45Å; F138-L152 PolarHBondContact N-O 3.1Å; F138-L152 PolarHBondContact O-N 3.25Å; F138-V154 HydrophobicContact CD2-CG2 3.77Å; F138-V154 HydrophobicContact CE2-CB 4.07Å; F138-V154 HydrophobicContact CE2-CG2 3.59Å; F138-L173 HydrophobicContact CD1-CD2 4.43Å; F138-L173 HydrophobicContact CD2-CD2 4.36Å; F138-L173 HydrophobicContact CE1-CD2 4.45Å; F138-L173 HydrophobicContact CE2-CD2 4.39Å; F138-L173 HydrophobicContact CG-CD2 4.41Å; F138-L173 HydrophobicContact CZ-CD2 4.46Å; F138-L251 HydrophobicContact CE1-CD1 4.34Å; F138-L251 HydrophobicContact CE2-CD1 4.27Å; F138-L251 HydrophobicContact CZ-CD1 3.56Å; F138-Y253 HydrophobicContact CE1-CE1 4.27Å; F138-Y253 WeakPolarHBondContact CE1-OH 3.26Å
139D90.5Very high89.4Confident62 Ų6240.2 Ų40.233%0.33220%0.2SC..EExtended strand (participates in β ladder)trans-85.4120.2162.7-74.4-25.5000108.1I59 Q60 N62I59-D139 WeakPolarHBondContact CA-O 3.47Å; Q60-D139 PolarHBondContact N-O 3.25Å; Q60-D139 PolarHBondContact O-N 3.5Å; N62-D139 VanDerWaalsContact CG-CG 3.47Å; N62-D139 PolarHBondContact ND2-OD1 2.98Å; N62-D139 WeakPolarHBondContact OD1-CB 3.25Å; N62-D139 PolarHBondContact OD1-N 3.17Å; N62-D139 PolarHBondContact OD1-OD1 2.76Å; N62-D139 PolarHBondContact OD1-OD2 2.88Å
140F90.3Very high88.9Confident1 Ų140.8 Ų40.80%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-112.7126.7180177.7-85.4000109.7P57 I59 L142 F148 A149 T150 L152 I175 Y258P57-F140 HydrophobicContact CB-CD2 4.04Å; P57-F140 HydrophobicContact CB-CE2 3.3Å; P57-F140 HydrophobicContact CB-CZ 3.76Å; P57-F140 HydrophobicContact CG-CE2 4Å; I59-F140 HydrophobicContact CD1-CD2 4.01Å; I59-F140 HydrophobicContact CD1-CE2 4.27Å; I59-F140 HydrophobicContact CG1-CD2 3.87Å; I59-F140 HydrophobicContact CG1-CE2 4.35Å; F140-L142 HydrophobicContact CE1-CD1 3.98Å; F140-L142 HydrophobicContact CE1-CD2 4.26Å; F140-L142 HydrophobicContact CE1-CG 3.69Å; F140-L142 HydrophobicContact CZ-CD1 4.23Å; F140-L142 HydrophobicContact CZ-CD2 3.94Å; F140-L142 HydrophobicContact CZ-CG 3.89Å; F140-F148 HydrophobicContact CD1-CD1 4.23Å; F140-F148 HydrophobicContact CD1-CE1 4.2Å; F140-F148 HydrophobicContact CE1-CD1 4.11Å; F140-F148 HydrophobicContact CE1-CE1 4.25Å; F140-A149 WeakPolarHBondContact O-CA 3.39Å; F140-T150 HydrophobicContact CB-CG2 4Å; F140-T150 HydrophobicContact CD1-CG2 3.87Å; F140-T150 HydrophobicContact CG-CG2 4.31Å; F140-T150 PolarHBondContact N-O 3.29Å; F140-T150 PolarHBondContact O-N 3.28Å; F140-L152 HydrophobicContact CB-CB 3.9Å; F140-L152 HydrophobicContact CD2-CD2 4.26Å; F140-I175 HydrophobicContact CD2-CG2 3.8Å; F140-I175 HydrophobicContact CE1-CD1 4.1Å; F140-I175 HydrophobicContact CE1-CG2 4.39Å; F140-I175 HydrophobicContact CE2-CG2 3.53Å; F140-I175 HydrophobicContact CG-CG2 4.36Å; F140-I175 HydrophobicContact CZ-CD1 3.92Å; F140-I175 HydrophobicContact CZ-CG2 3.86Å; F140-Y258 AromaticContact CZ-CE1 3.93Å; F140-Y258 HydrophobicContact CZ-CE1 3.93Å; F140-Y258 AromaticContact CZ-CZ 4Å
141Q89.5Confident88.5Confident61 Ų6138.7 Ų38.729%0.28520%0.197SC..EExtended strand (participates in β ladder)trans-134.2136.5177.5-59.6-174.9-8.600111.7L58 F148 A149L58-Q141 HydrophobicContact CB-CB 4.21Å; L58-Q141 PolarHBondContact N-O 2.73Å; L58-Q141 PolarHBondContact O-N 3.44Å; Q141-F148 CarbonylContact C-O 3.55Å; Q141-F148 VanDerWaalsContact CA-O 3.27Å; Q141-F148 WeakPolarHBondContact CA-O 3.48Å; Q141-A149 HydrophobicContact CG-CB 4.04Å
142L88.7Confident88.3Confident1 Ų137.6 Ų37.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-105.9140.6161.5-63.3169.2000107.5E55 P57 F140 C146 F148 L181 Y258E55-L142 HydrophobicContact CB-CD2 4.31Å; E55-L142 HydrophobicContact CG-CD2 3.96Å; P57-L142 HydrophobicContact CB-CD2 4.12Å; F140-L142 HydrophobicContact CE1-CD1 3.98Å; F140-L142 HydrophobicContact CE1-CD2 4.26Å; F140-L142 HydrophobicContact CE1-CG 3.69Å; F140-L142 HydrophobicContact CZ-CD1 4.23Å; F140-L142 HydrophobicContact CZ-CD2 3.94Å; F140-L142 HydrophobicContact CZ-CG 3.89Å; L142-C146 CarbonylContact C-O 2.92Å; L142-C146 HydrophobicContact CB-CB 4.46Å; L142-C146 WeakPolarHBondContact CB-O 3.39Å; L142-F148 HydrophobicContact CB-CB 4.38Å; L142-F148 HydrophobicContact CD1-CD1 4.49Å; L142-F148 PolarHBondContact N-O 3.19Å; L142-F148 PolarHBondContact O-N 3.31Å; L142-L181 HydrophobicContact CD1-CD1 3.72Å; L142-Y258 HydrophobicContact CD1-CD1 4.47Å; L142-Y258 HydrophobicContact CD1-CD2 4.15Å; L142-Y258 HydrophobicContact CD1-CG 4.1Å; L142-Y258 HydrophobicContact CD2-CD2 3.85Å; L142-Y258 HydrophobicContact CD2-CE2 3.58Å
143K84.6Confident87.9Confident136 Ų13639.5 Ų39.559%0.59120%0.195SC*.  trans-138.3-22.7-177.8-73.6-166.8178.6174.10114.7E55 C146E55-K143 PolarHBondContact OE1-N 2.82Å; K143-C146 WeakPolarHBondContact CA-O 3.42Å; K143-C146 PolarHBondContact N-O 2.62Å
144Q82.4Confident87.8Confident132 Ų13237.1 Ų37.162%0.61719%0.185SC*.SBendtrans-71.8-52.6-171.9-59.1-177.71.500111.6E55E55-Q144 VanDerWaalsContact CD-CB 3.48Å; E55-Q144 HydrophobicContact CG-CB 4.09Å; E55-Q144 HydrophobicContact CG-CG 3.95Å; E55-Q144 WeakPolarHBondContact OE1-CB 3.47Å; E55-Q144 WeakPolarHBondContact OE1-CG 3.36Å; E55-Q144 PolarHBondContact OE1-N 3.45Å
145Q80.6Confident87.7Confident121 Ų12139.4 Ų39.457%0.56520%0.197SC*.SBendtrans-114.9-21.7-179.8-59-159.29.100113.8V53 E55V53-Q145 HydrophobicContact CG1-CB 4.01Å; V53-Q145 HydrophobicContact CG1-CG 3.79Å; V53-Q145 HydrophobicContact CG2-CB 4.49Å; E55-Q145 PolarHBondContact OE2-N 3.01Å
146C81.1Confident87.8Confident3 Ų339.3 Ų39.32%0.0220%0.197CC..  trans-132.8128.4-177.4-169.10000107.8L142 K143 F148 C183 I260L142-C146 CarbonylContact C-O 2.92Å; L142-C146 HydrophobicContact CB-CB 4.46Å; L142-C146 WeakPolarHBondContact CB-O 3.39Å; K143-C146 WeakPolarHBondContact CA-O 3.42Å; K143-C146 PolarHBondContact N-O 2.62Å; C146-F148 PolarHBondContact O-N 3.01Å; C146-C183 HydrophobicContact CB-CB 4.06Å; C146-C183 WeakPolarHBondContact CB-SG 3.38Å; C146-C183 WeakPolarHBondContact SG-CA 3.44Å; C146-C183 WeakPolarHBondContact SG-CB 3.48Å; C146-C183 CovalentContact SG-SG 2.03Å; C146-C183 PolarHBondContact SG-SG 3.49Å; C146-I260 HydrophobicContact CB-CD1 4.14Å; C146-I260 HydrophobicContact CB-CG2 4.39Å
147N84.8Confident87.8Confident82 Ų8244.4 Ų44.444%0.43922%0.224SC..  trans-87.196168.1-173.814.3000107.5P186N147-P186 WeakPolarHBondContact ND2-CD 3.2Å
148F85.3Confident87.9Confident35 Ų3546.3 Ų46.315%0.15423%0.232CC..EExtended strand (participates in β ladder)trans-133.8132.1-178.9175.6-97000108.8F140 Q141 L142 C146 T150 L181F140-F148 HydrophobicContact CD1-CD1 4.23Å; F140-F148 HydrophobicContact CD1-CE1 4.2Å; F140-F148 HydrophobicContact CE1-CD1 4.11Å; F140-F148 HydrophobicContact CE1-CE1 4.25Å; Q141-F148 CarbonylContact C-O 3.55Å; Q141-F148 VanDerWaalsContact CA-O 3.27Å; Q141-F148 WeakPolarHBondContact CA-O 3.48Å; L142-F148 HydrophobicContact CB-CB 4.38Å; L142-F148 HydrophobicContact CD1-CD1 4.49Å; L142-F148 PolarHBondContact N-O 3.19Å; L142-F148 PolarHBondContact O-N 3.31Å; C146-F148 PolarHBondContact O-N 3.01Å; F148-T150 HydrophobicContact CD1-CG2 4.45Å; F148-T150 HydrophobicContact CE1-CG2 3.46Å; F148-T150 VanDerWaalsContact CE1-CG2 3.46Å; F148-T150 HydrophobicContact CZ-CG2 3.89Å; F148-L181 HydrophobicContact CD1-CD1 4.1Å; F148-L181 HydrophobicContact CD2-CB 4.5Å; F148-L181 HydrophobicContact CE1-CD1 4.21Å; F148-L181 HydrophobicContact CE1-CD2 4.06Å; F148-L181 HydrophobicContact CE2-CD2 4.14Å; F148-L181 HydrophobicContact CG-CD1 4.46Å; F148-L181 HydrophobicContact CZ-CD2 3.81Å
149A86.7Confident87.9Confident55 Ų5549 Ų4946%0.45526%0.26SS..EExtended strand (participates in β ladder)trans-134.9132.817900000109.7F140 Q141F140-A149 WeakPolarHBondContact O-CA 3.39Å; Q141-A149 HydrophobicContact CG-CB 4.04Å
150T85.5Confident88Confident12 Ų1247.9 Ų47.97%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-152160.7179.6-170.80000109.9F140 F148 Q221 T223F140-T150 HydrophobicContact CB-CG2 4Å; F140-T150 HydrophobicContact CD1-CG2 3.87Å; F140-T150 HydrophobicContact CG-CG2 4.31Å; F140-T150 PolarHBondContact N-O 3.29Å; F140-T150 PolarHBondContact O-N 3.28Å; F148-T150 HydrophobicContact CD1-CG2 4.45Å; F148-T150 HydrophobicContact CE1-CG2 3.46Å; F148-T150 VanDerWaalsContact CE1-CG2 3.46Å; F148-T150 HydrophobicContact CZ-CG2 3.89Å; T150-Q221 VanDerWaalsContact OG1-C 3.27Å; T150-Q221 PolarHBondContact OG1-O 2.66Å; T150-T223 WeakPolarHBondContact CG2-OG1 3.49Å; T150-T223 PolarHBondContact OG1-OG1 2.99Å
151T86.8Confident88Confident16 Ų1657.6 Ų57.610%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-86.8121.7166.3-55.90000108.8L137 F138 Q221 M222 T223L137-T151 HydrophobicContact CD2-CG2 3.93Å; F138-T151 CarbonylContact O-C 3.53Å; F138-T151 WeakPolarHBondContact O-CA 3.36Å; T151-Q221 PolarHBondContact N-O 3.48Å; T151-M222 HydrophobicContact CG2-CE 4.47Å; T151-M222 WeakPolarHBondContact O-CA 3.36Å; T151-T223 PolarHBondContact O-N 3.12Å
152L89.5Confident88.2Confident0 Ų058.6 Ų58.60%031%0.31CS..EExtended strand (participates in β ladder)trans-90.6119.6177.1176.166.7000109.8L137 F138 F140 V154 L173 I175 T223 G225L137-L152 WeakPolarHBondContact CA-O 3.5Å; F138-L152 HydrophobicContact CB-CB 4.13Å; F138-L152 HydrophobicContact CB-CD2 4.45Å; F138-L152 PolarHBondContact N-O 3.1Å; F138-L152 PolarHBondContact O-N 3.25Å; F140-L152 HydrophobicContact CB-CB 3.9Å; F140-L152 HydrophobicContact CD2-CD2 4.26Å; L152-V154 HydrophobicContact CD2-CG2 4.45Å; L152-V154 HydrophobicContact CG-CG2 4.12Å; L152-L173 HydrophobicContact CD2-CD1 4.09Å; L152-L173 HydrophobicContact CD2-CD2 3.7Å; L152-L173 HydrophobicContact CD2-CG 3.9Å; L152-I175 HydrophobicContact CD1-CB 4.34Å; L152-I175 HydrophobicContact CD1-CG2 3.77Å; L152-I175 HydrophobicContact CD2-CG2 4.22Å; L152-T223 WeakPolarHBondContact CA-O 3.47Å; L152-G225 VanDerWaalsContact CD1-CA 3.46Å
153Y87Confident88.5Confident40 Ų4059.2 Ų59.216%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-100.9122177.9174.5-84000110.2R135 L137 M155 W215 T223 A224 G225R135-Y153 VanDerWaalsContact CD-CE2 3.45Å; R135-Y153 HydrophobicContact CG-CD2 4.16Å; R135-Y153 HydrophobicContact CG-CE2 3.53Å; R135-Y153 VanDerWaalsContact NE-CE2 3.27Å; L137-Y153 HydrophobicContact CD2-CD2 3.77Å; L137-Y153 HydrophobicContact CD2-CG 4.36Å; Y153-M155 HydrophobicContact CE1-CB 3.63Å; Y153-W215 HydrophobicContact CD1-CZ3 4.46Å; Y153-W215 HydrophobicContact CE1-CH2 4.07Å; Y153-W215 AromaticContact CE1-CZ3 3.64Å; Y153-W215 HydrophobicContact CE1-CZ3 3.64Å; Y153-T223 PolarHBondContact N-O 2.9Å; Y153-A224 CarbonylContact O-C 3.58Å; Y153-G225 PolarHBondContact O-N 3.45Å
154V91.2Very high88.9Confident0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-119.9130.1179.1-173.40000108.7R135 L136 F138 L152 F156 L173R135-V154 CarbonylContact C-O 3.59Å; R135-V154 WeakPolarHBondContact CA-O 3.49Å; L136-V154 HydrophobicContact CB-CB 4.41Å; L136-V154 PolarHBondContact N-O 2.79Å; L136-V154 PolarHBondContact O-N 2.99Å; F138-V154 HydrophobicContact CD2-CG2 3.77Å; F138-V154 HydrophobicContact CE2-CB 4.07Å; F138-V154 HydrophobicContact CE2-CG2 3.59Å; L152-V154 HydrophobicContact CD2-CG2 4.45Å; L152-V154 HydrophobicContact CG-CG2 4.12Å; V154-F156 HydrophobicContact CG1-CD2 4.3Å; V154-F156 HydrophobicContact CG1-CE1 3.82Å; V154-F156 HydrophobicContact CG1-CE2 3.49Å; V154-F156 VanDerWaalsContact CG1-CE2 3.49Å; V154-F156 HydrophobicContact CG1-CZ 3.2Å; V154-L173 HydrophobicContact CG1-CD1 4.43Å; V154-L173 HydrophobicContact CG2-CD1 3.55Å
155M90.5Very high89.5Confident48 Ų4847.6 Ų47.624%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-128.9135175-178.8173.7178.300109.7K133 I134 Y153 W215K133-M155 HydrophobicContact CB-CE 4.31Å; K133-M155 HydrophobicContact CD-CE 3.74Å; K133-M155 HydrophobicContact CG-CE 4.19Å; I134-M155 VanDerWaalsContact O-CA 3.31Å; I134-M155 WeakPolarHBondContact O-CA 3.23Å; Y153-M155 HydrophobicContact CE1-CB 3.63Å; M155-W215 HydrophobicContact SD-CH2 3.77Å
156F92.6Very high90.3Very high14 Ų1444.6 Ų44.66%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-120.3139.3169.9-54-62.8000108.8K133 I134 L136 V154 W167 I169 L227 L251K133-F156 CarbonylContact C-O 3.46Å; K133-F156 WeakPolarHBondContact CA-O 3.43Å; I134-F156 HydrophobicContact CG2-CB 3.8Å; I134-F156 HydrophobicContact CG2-CD2 3.85Å; I134-F156 HydrophobicContact CG2-CG 4.33Å; I134-F156 PolarHBondContact N-O 3.41Å; I134-F156 PolarHBondContact O-N 2.88Å; L136-F156 HydrophobicContact CD1-CE2 4.36Å; V154-F156 HydrophobicContact CG1-CD2 4.3Å; V154-F156 HydrophobicContact CG1-CE1 3.82Å; V154-F156 HydrophobicContact CG1-CE2 3.49Å; V154-F156 VanDerWaalsContact CG1-CE2 3.49Å; V154-F156 HydrophobicContact CG1-CZ 3.2Å; F156-W167 HydrophobicContact CB-CH2 3.78Å; F156-W167 HydrophobicContact CB-CZ2 3.8Å; F156-W167 WeakPolarHBondContact O-CH2 3.21Å; F156-I169 HydrophobicContact CB-CD1 3.77Å; F156-I169 HydrophobicContact CD1-CG2 4.45Å; F156-I169 HydrophobicContact CD2-CD1 3.7Å; F156-I169 HydrophobicContact CD2-CG2 4.21Å; F156-I169 HydrophobicContact CE1-CG2 4.4Å; F156-I169 HydrophobicContact CE2-CG2 4.14Å; F156-I169 HydrophobicContact CG-CD1 3.84Å; F156-I169 HydrophobicContact CG-CG2 4.36Å; F156-I169 HydrophobicContact CZ-CG2 4.23Å; F156-L227 HydrophobicContact CD1-CD1 4.24Å; F156-L227 HydrophobicContact CE1-CB 4.49Å; F156-L227 HydrophobicContact CE1-CD1 3.26Å; F156-L227 HydrophobicContact CE1-CG 3.54Å; F156-L227 HydrophobicContact CE2-CD1 4.3Å; F156-L227 HydrophobicContact CZ-CD1 3.29Å; F156-L227 HydrophobicContact CZ-CD2 4.18Å; F156-L227 HydrophobicContact CZ-CG 3.55Å; F156-L251 HydrophobicContact CE2-CD2 4.25Å; F156-L251 HydrophobicContact CZ-CD2 4.18Å
157D92.2Very high91Very high106 Ų10644.5 Ų44.557%0.56725%0.25SC*.EExtended strand (participates in β ladder)trans-134.1141.9173.865.4-53000109.8A132 K133A132-D157 WeakPolarHBondContact O-CA 3.32Å; K133-D157 HydrophobicContact CD-CB 4.43Å; K133-D157 HydrophobicContact CG-CB 3.78Å
158H93.3Very high91.6Very high48 Ų4842.2 Ų42.222%0.22224%0.24CC..EExtended strand (participates in β ladder)trans-140.8137.9174.2-174.979.2000109.3A131 A132 W167 W234A131-H158 CarbonylContact C-O 3.04Å; A131-H158 WeakPolarHBondContact CA-O 3.42Å; A131-H158 WeakPolarHBondContact CB-O 3.46Å; A132-H158 PolarHBondContact N-O 2.91Å; A132-H158 PolarHBondContact O-N 2.79Å; H158-W167 HydrophobicContact CB-CZ2 3.83Å; H158-W234 HydrophobicContact CB-CE3 4.4Å; H158-W234 AromaticContact CD2-CD2 3.31Å; H158-W234 AromaticContact CD2-CE3 3.15Å; H158-W234 AromaticContact CD2-CG 3.67Å; H158-W234 AromaticContact CD2-CZ3 3.73Å; H158-W234 AromaticContact CG-CE3 3.91Å; H158-W234 VanDerWaalsContact NE2-CB 3.34Å; H158-W234 WeakPolarHBondContact NE2-CB 3.42Å; H158-W234 AromaticContact NE2-CD1 3.98Å; H158-W234 AromaticContact NE2-CD2 3.53Å; H158-W234 AromaticContact NE2-CE3 3.85Å; H158-W234 AromaticContact NE2-CG 3.33Å; H158-W234 VanDerWaalsContact NE2-CG 3.33Å
159G92.3Very high92.1Very high57 Ų5740.5 Ų40.559%0.58823%0.233SC*.EExtended strand (participates in β ladder)trans-136.1131.3172.900000110.2
160S92.4Very high92.6Very high37 Ų3739.4 Ų39.426%0.25922%0.221SC..EExtended strand (participates in β ladder)trans-131.9151.3-179.6-178.30000110.5Y130 V162Y130-S160 PolarHBondContact O-N 2.82Å; S160-V162 PolarHBondContact OG-N 2.83Å; S160-V162 VanDerWaalsContact OG-N 3.13Å; S160-V162 PolarHBondContact OG-O 3.17Å
161F91.6Very high93Very high205 Ų20539 Ų3990%0.89922%0.22SC*.EExtended strand (participates in β ladder)trans-77.3-12170.6-62.5-74.8000112.5
162V93.2Very high93.4Very high82 Ų8240.7 Ų40.750%0.49723%0.228SC..EExtended strand (participates in β ladder)trans-110.8133.6-178.7-173.60000109S160 G164 W234 P236S160-V162 PolarHBondContact OG-N 2.83Å; S160-V162 VanDerWaalsContact OG-N 3.13Å; S160-V162 PolarHBondContact OG-O 3.17Å; V162-G164 PolarHBondContact O-N 3.37Å; V162-W234 PolarHBondContact O-NE1 3.29Å; V162-P236 HydrophobicContact CG1-CB 4Å
163S94.2Very high93.6Very high14 Ų1441 Ų4110%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-52.8135.8173.6178.80000110.4I129 P236 G237I129-S163 CarbonylContact O-C 3.55Å; I129-S163 VanDerWaalsContact O-CA 3.23Å; I129-S163 WeakPolarHBondContact O-CA 3.48Å; S163-P236 WeakPolarHBondContact O-CA 2.97Å; S163-G237 CarbonylContact C-O 3.47Å; S163-G237 VanDerWaalsContact CB-O 3.27Å; S163-G237 WeakPolarHBondContact CB-O 3.42Å; S163-G237 PolarHBondContact O-N 3.05Å; S163-G237 PolarHBondContact OG-O 3.01Å
164G94.4Very high93.8Very high0 Ų042 Ų420%024%0.235CC..EExtended strand (participates in β ladder)trans-103.6154.6173.900000112.2I129 V162 W234 T235 G237 A239 F245I129-G164 PolarHBondContact O-N 3.15Å; V162-G164 PolarHBondContact O-N 3.37Å; G164-W234 VanDerWaalsContact CA-CE2 3.49Å; G164-T235 VanDerWaalsContact CA-O 3.29Å; G164-T235 WeakPolarHBondContact CA-O 3.45Å; G164-G237 CarbonylContact C-O 3.52Å; G164-G237 VanDerWaalsContact C-O 3.23Å; G164-G237 PolarHBondContact N-O 2.86Å; G164-A239 WeakPolarHBondContact O-CB 3.05Å; G164-F245 WeakPolarHBondContact O-CD2 2.95Å
165C94.9Very high93.8Very high24 Ų2442.3 Ų42.316%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-112.6-20.5166.760.60000112.8T235 F245 D246C165-T235 PolarHBondContact N-O 3.5Å; C165-F245 WeakPolarHBondContact O-CA 3.41Å; C165-D246 PolarHBondContact O-N 2.75Å
166E96Very high93.7Very high59 Ų5943.4 Ų43.428%0.27625%0.246SC..EExtended strand (participates in β ladder)trans-146.6142.3-179.5176.2-175.9-167.700110.5T235 D246 N248E166-T235 PolarHBondContact O-N 2.79Å; E166-D246 CarbonylContact C-O 3.57Å; E166-D246 WeakPolarHBondContact CA-O 3.29Å; E166-D246 HydrophobicContact CB-CB 4.4Å; E166-D246 HydrophobicContact CG-CB 4.23Å; E166-N248 PolarHBondContact OE1-ND2 2.86Å
167W96.8Very high93.2Very high0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-124.8114.4171.7-177.227.2000110.1A132 I134 F156 H158 I169 L232 W234 F245 D246 V247 N248A132-W167 HydrophobicContact CB-CD2 4.21Å; A132-W167 HydrophobicContact CB-CE3 3.44Å; A132-W167 VanDerWaalsContact CB-CE3 3.44Å; A132-W167 HydrophobicContact CB-CH2 4.3Å; A132-W167 HydrophobicContact CB-CZ3 3.5Å; I134-W167 HydrophobicContact CB-CZ3 4.18Å; I134-W167 HydrophobicContact CG2-CH2 3.75Å; I134-W167 HydrophobicContact CG2-CZ3 3.74Å; F156-W167 HydrophobicContact CB-CH2 3.78Å; F156-W167 HydrophobicContact CB-CZ2 3.8Å; F156-W167 WeakPolarHBondContact O-CH2 3.21Å; H158-W167 HydrophobicContact CB-CZ2 3.83Å; W167-I169 HydrophobicContact CD2-CD1 4.01Å; W167-I169 HydrophobicContact CD2-CG1 4.3Å; W167-I169 HydrophobicContact CE3-CD1 4.32Å; W167-I169 HydrophobicContact CH2-CD1 3.88Å; W167-I169 HydrophobicContact CZ2-CD1 3.49Å; W167-I169 VanDerWaalsContact CZ2-CD1 3.49Å; W167-I169 HydrophobicContact CZ2-CG1 4.08Å; W167-I169 HydrophobicContact CZ3-CD1 4.26Å; W167-L232 HydrophobicContact CZ2-CD2 4.37Å; W167-W234 HydrophobicContact CB-CE3 3.88Å; W167-W234 HydrophobicContact CB-CZ3 3.94Å; W167-W234 AromaticContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CZ3 4.1Å; W167-F245 HydrophobicContact CB-CE1 4.32Å; W167-F245 HydrophobicContact CB-CZ 4.01Å; W167-D246 PolarHBondContact N-O 3.08Å; W167-V247 HydrophobicContact CE3-CG1 4.2Å; W167-V247 HydrophobicContact CE3-CG2 4.41Å; W167-V247 CarbonylContact O-C 3.58Å; W167-V247 WeakPolarHBondContact O-CA 3.42Å; W167-N248 PolarHBondContact O-N 2.98Å
168S96.8Very high92.6Very high34 Ų3446 Ų4624%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-108.8132.8177.9-171.60000111.2Y233 N248S168-Y233 PolarHBondContact N-O 2.96Å; S168-Y233 PolarHBondContact O-N 3.37Å; S168-N248 CarbonylContact C-O 3.48Å; S168-N248 WeakPolarHBondContact CA-O 3.23Å
169I96.9Very high92.1Very high0 Ų045.5 Ų45.50%028%0.275CS..EExtended strand (participates in β ladder)trans-126.8120.4178.8-57.7163.2000108I134 F156 W167 L227 E231 L232 N248 I249 V250I134-I169 HydrophobicContact CG2-CD1 4.16Å; F156-I169 HydrophobicContact CB-CD1 3.77Å; F156-I169 HydrophobicContact CD1-CG2 4.45Å; F156-I169 HydrophobicContact CD2-CD1 3.7Å; F156-I169 HydrophobicContact CD2-CG2 4.21Å; F156-I169 HydrophobicContact CE1-CG2 4.4Å; F156-I169 HydrophobicContact CE2-CG2 4.14Å; F156-I169 HydrophobicContact CG-CD1 3.84Å; F156-I169 HydrophobicContact CG-CG2 4.36Å; F156-I169 HydrophobicContact CZ-CG2 4.23Å; W167-I169 HydrophobicContact CD2-CD1 4.01Å; W167-I169 HydrophobicContact CD2-CG1 4.3Å; W167-I169 HydrophobicContact CE3-CD1 4.32Å; W167-I169 HydrophobicContact CH2-CD1 3.88Å; W167-I169 HydrophobicContact CZ2-CD1 3.49Å; W167-I169 VanDerWaalsContact CZ2-CD1 3.49Å; W167-I169 HydrophobicContact CZ2-CG1 4.08Å; W167-I169 HydrophobicContact CZ3-CD1 4.26Å; I169-L227 HydrophobicContact CG2-CD1 3.51Å; I169-E231 CarbonylContact C-O 3.49Å; I169-E231 WeakPolarHBondContact CA-O 3.44Å; I169-L232 HydrophobicContact CG1-CD2 4.31Å; I169-N248 PolarHBondContact N-O 3.26Å; I169-I249 HydrophobicContact CB-CB 4.47Å; I169-I249 HydrophobicContact CB-CG1 4.14Å; I169-I249 HydrophobicContact CB-CG2 4.17Å; I169-I249 HydrophobicContact CD1-CD1 3.88Å; I169-I249 HydrophobicContact CD1-CG1 3.92Å; I169-I249 HydrophobicContact CG1-CG1 4.42Å; I169-I249 HydrophobicContact CG2-CG2 4.36Å; I169-I249 CarbonylContact O-C 3.5Å; I169-I249 VanDerWaalsContact O-CA 3.29Å; I169-I249 WeakPolarHBondContact O-CA 3.41Å; I169-V250 PolarHBondContact O-N 3.29Å
170S96.1Very high91.7Very high31 Ų3145.4 Ų45.422%0.21726%0.264CS..EExtended strand (participates in β ladder)trans-127.4147.6172.342.70000111.1E231 V250S170-E231 PolarHBondContact N-O 3.07Å; S170-E231 WeakPolarHBondContact O-CB 2.99Å; S170-E231 PolarHBondContact O-N 3.27Å; S170-E231 WeakPolarHBondContact OG-CB 3.49Å; S170-E231 PolarHBondContact OG-OE2 2.7Å; S170-V250 WeakPolarHBondContact CA-O 3.41Å
171G95.4Very high91.4Very high4 Ų444.4 Ų44.44%0.04126%0.256CS..EExtended strand (participates in β ladder)trans163.3174.3174.600000114P229 V250 L251 N252G171-P229 WeakPolarHBondContact CA-O 3.46Å; G171-V250 PolarHBondContact N-O 2.75Å; G171-L251 WeakPolarHBondContact O-CA 3.47Å; G171-N252 PolarHBondContact O-N 2.81Å
172N94.7Very high90.8Very high51 Ų5138.1 Ų38.127%0.27323%0.234SC..EExtended strand (participates in β ladder)trans-93.4125.5175.8-55.3-19.3000109.6K174 L227 N228 N252 A254N172-K174 PolarHBondContact O-N 3.45Å; N172-L227 WeakPolarHBondContact O-CA 3.48Å; N172-N228 WeakPolarHBondContact CB-O 3.37Å; N172-N228 PolarHBondContact O-N 2.85Å; N172-N252 CarbonylContact C-O 3.53Å; N172-N252 WeakPolarHBondContact CA-O 3.39Å; N172-N252 WeakPolarHBondContact OD1-CB 3.24Å; N172-N252 PolarHBondContact OD1-ND2 3.16Å; N172-A254 HydrophobicContact CB-CB 4.16Å
173L93.6Very high89.9Confident7 Ų734.9 Ų34.94%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-69.2125.6-178.8-17658.6000110.2I59 F138 L152 V154 N252 Y253I59-L173 HydrophobicContact CD1-CD2 3.85Å; I59-L173 HydrophobicContact CD1-CG 4.33Å; I59-L173 HydrophobicContact CG2-CD2 4.06Å; F138-L173 HydrophobicContact CD1-CD2 4.43Å; F138-L173 HydrophobicContact CD2-CD2 4.36Å; F138-L173 HydrophobicContact CE1-CD2 4.45Å; F138-L173 HydrophobicContact CE2-CD2 4.39Å; F138-L173 HydrophobicContact CG-CD2 4.41Å; F138-L173 HydrophobicContact CZ-CD2 4.46Å; L152-L173 HydrophobicContact CD2-CD1 4.09Å; L152-L173 HydrophobicContact CD2-CD2 3.7Å; L152-L173 HydrophobicContact CD2-CG 3.9Å; V154-L173 HydrophobicContact CG1-CD1 4.43Å; V154-L173 HydrophobicContact CG2-CD1 3.55Å; L173-N252 PolarHBondContact N-O 2.71Å; L173-Y253 HydrophobicContact CB-CD1 4.28Å; L173-Y253 HydrophobicContact CD2-CD1 4.02Å; L173-Y253 HydrophobicContact CD2-CE1 3.84Å
174K91.9Very high88.7Confident61 Ų6140.6 Ų40.627%0.26524%0.24SC..EExtended strand (participates in β ladder)trans-131.3139.4-176.9175.5161-171.2125.10110.4N172 G225 T226 N228 D256N172-K174 PolarHBondContact O-N 3.45Å; K174-G225 CarbonylContact O-C 3.58Å; K174-G225 WeakPolarHBondContact O-CA 3.46Å; K174-T226 HydrophobicContact CB-CG2 4.05Å; K174-T226 HydrophobicContact CG-CG2 4.2Å; K174-T226 PolarHBondContact N-O 3.22Å; K174-T226 PolarHBondContact O-N 3.18Å; K174-T226 VanDerWaalsContact O-O 3.09Å; K174-N228 HydrophobicContact CD-CB 4.02Å; K174-D256 WeakPolarHBondContact CD-OD2 3.49Å; K174-D256 WeakPolarHBondContact CE-OD2 3.43Å; K174-D256 VanDerWaalsContact CG-OD2 3.25Å; K174-D256 WeakPolarHBondContact CG-OD2 3.37Å; K174-D256 VanDerWaalsContact NZ-CG 3.28Å; K174-D256 IonicContact NZ-OD1 2.66Å; K174-D256 PolarHBondContact NZ-OD1 3.36Å; K174-D256 IonicContact NZ-OD2 2.85Å; K174-D256 PolarHBondContact NZ-OD2 3.22Å
175I89.9Confident86.8Confident7 Ų748.7 Ų48.74%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-84144.5173.974.6178.1000110.4F140 L152 Q177 L181 T223 Y258F140-I175 HydrophobicContact CD2-CG2 3.8Å; F140-I175 HydrophobicContact CE1-CD1 4.1Å; F140-I175 HydrophobicContact CE1-CG2 4.39Å; F140-I175 HydrophobicContact CE2-CG2 3.53Å; F140-I175 HydrophobicContact CG-CG2 4.36Å; F140-I175 HydrophobicContact CZ-CD1 3.92Å; F140-I175 HydrophobicContact CZ-CG2 3.86Å; L152-I175 HydrophobicContact CD1-CB 4.34Å; L152-I175 HydrophobicContact CD1-CG2 3.77Å; L152-I175 HydrophobicContact CD2-CG2 4.22Å; I175-Q177 HydrophobicContact CD1-CG 3.82Å; I175-Q177 HydrophobicContact CG1-CG 3.7Å; I175-L181 HydrophobicContact CD1-CD1 4.15Å; I175-T223 HydrophobicContact CB-CG2 4.15Å; I175-Y258 HydrophobicContact CD1-CD1 3.71Å; I175-Y258 HydrophobicContact CD1-CE1 3.7Å; I175-Y258 HydrophobicContact CG1-CD1 4.16Å; I175-Y258 HydrophobicContact CG1-CE1 3.9Å
176V88.5Confident84.8Confident70 Ų7051.6 Ų51.642%0.42430%0.297SS..  trans-90.1105.3172.6-178.60000108.2A224 T226V176-A224 HydrophobicContact CB-CB 4.26Å; V176-A224 WeakPolarHBondContact CB-O 3.33Å; V176-A224 HydrophobicContact CG2-CB 4.46Å; V176-A224 PolarHBondContact N-O 3.4Å; V176-T226 HydrophobicContact CG2-CG2 3.8Å
177Q83.2Confident82.4Confident57 Ų5756 Ų5627%0.26632%0.322SS..  trans-91.3115.2178.4-56-171.3-54.100110.3I175 G179 L181 S259I175-Q177 HydrophobicContact CD1-CG 3.82Å; I175-Q177 HydrophobicContact CG1-CG 3.7Å; Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-L181 VanDerWaalsContact NE2-CD1 3.28Å; Q177-S259 VanDerWaalsContact OE1-N 3.16Å
178S79.2Confident79.8Confident118 Ų11864 Ų6483%0.82536%0.359SS*.SBendtrans-78.2-19.3170.9-59.10000113
179G82.6Confident77.6Confident37 Ų3766.6 Ų66.638%0.38138%0.377SS..SBendtrans-166.1178.1-177.700000110.6Q177Q177-G179 VanDerWaalsContact C-N 3.32Å
180P84Confident74.9Confident55 Ų5572.3 Ų72.336%0.35741%0.408SS..PPolyproline II helixtrans-67.4138.6-179.931.3-36.5000110.7V50 T182 S259 V261V50-P180 HydrophobicContact CB-CB 4.47Å; V50-P180 HydrophobicContact CG1-CB 3.82Å; V50-P180 HydrophobicContact CG2-CB 3.79Å; V50-P180 HydrophobicContact CG2-CG 3.79Å; P180-T182 PolarHBondContact O-N 3.16Å; P180-S259 CarbonylContact C-O 3.6Å; P180-S259 WeakPolarHBondContact CA-O 3.33Å; P180-V261 HydrophobicContact CB-CG2 3.74Å; P180-V261 HydrophobicContact CG-CG2 3.69Å
181L85Confident72.6Confident17 Ų1775.4 Ų75.49%0.08943%0.425CS..EExtended strand (participates in β ladder)trans-71.8126.3176.8-57.2175.1000109.5L142 F148 I175 Q177 C183 S259 I260 V261L142-L181 HydrophobicContact CD1-CD1 3.72Å; F148-L181 HydrophobicContact CD1-CD1 4.1Å; F148-L181 HydrophobicContact CD2-CB 4.5Å; F148-L181 HydrophobicContact CE1-CD1 4.21Å; F148-L181 HydrophobicContact CE1-CD2 4.06Å; F148-L181 HydrophobicContact CE2-CD2 4.14Å; F148-L181 HydrophobicContact CG-CD1 4.46Å; F148-L181 HydrophobicContact CZ-CD2 3.81Å; I175-L181 HydrophobicContact CD1-CD1 4.15Å; Q177-L181 VanDerWaalsContact NE2-CD1 3.28Å; L181-C183 PolarHBondContact O-N 3.01Å; L181-S259 PolarHBondContact N-O 3.33Å; L181-I260 HydrophobicContact CB-CG2 4.21Å; L181-I260 CarbonylContact O-C 3.55Å; L181-I260 WeakPolarHBondContact O-CA 3.44Å; L181-V261 PolarHBondContact O-N 3.22Å
182T78.6Confident70.2Confident72 Ų7276.8 Ų76.844%0.44244%0.437SS..EExtended strand (participates in β ladder)trans-78.9117.4174.1-56.90000109.5P180 E184P180-T182 PolarHBondContact O-N 3.16Å; T182-E184 HydrophobicContact CG2-CB 4.15Å; T182-E184 HydrophobicContact CG2-CG 3.72Å; T182-E184 PolarHBondContact O-N 3.21Å
183C75.4Confident67.9Low14 Ų1477.7 Ų77.710%0.09545%0.447CS..  trans-8370.5173.2-51.50000109.8C146 L181 V261C146-C183 HydrophobicContact CB-CB 4.06Å; C146-C183 WeakPolarHBondContact CB-SG 3.38Å; C146-C183 WeakPolarHBondContact SG-CA 3.44Å; C146-C183 WeakPolarHBondContact SG-CB 3.48Å; C146-C183 CovalentContact SG-SG 2.03Å; C146-C183 PolarHBondContact SG-SG 3.49Å; L181-C183 PolarHBondContact O-N 3.01Å; C183-V261 PolarHBondContact N-O 2.95Å; C183-V261 PolarHBondContact SG-O 3.31Å
184E68.4Low65.7Low134 Ų13484.2 Ų84.263%0.62648%0.477SS*.  trans-99.6151.2168-85.8174-167.500110T182T182-E184 HydrophobicContact CG2-CB 4.15Å; T182-E184 HydrophobicContact CG2-CG 3.72Å; T182-E184 PolarHBondContact O-N 3.21Å
185E55.7Low63.5Low171 Ų17185.8 Ų85.880%0.79948%0.484SS*.  trans-57.5136173.6-70.7-176.3171.500109L187E185-L187 PolarHBondContact O-N 3.44Å
186P51.6Low61.5Low85 Ų8588.2 Ų88.255%0.55250%0.496SS*.  trans-55.4114.9-179.619.9-30.2000108.9N147 Q188N147-P186 WeakPolarHBondContact ND2-CD 3.2Å; P186-Q188 PolarHBondContact O-N 3.28Å
187L46.6Very low59.5Low152 Ų15289.3 Ų89.380%0.79650%0.499SS*.  trans-51.6130.4166.3-100.295.2000107.2E185 S189E185-L187 PolarHBondContact O-N 3.44Å; L187-S189 PolarHBondContact O-N 3.49Å
188Q42.5Very low57.7Low168 Ų16891.4 Ų91.479%0.78551%0.512SS*.  trans-39.2132.6-177-77.1166.3-13.200112.4P186 D190P186-Q188 PolarHBondContact O-N 3.28Å; Q188-D190 PolarHBondContact O-N 3.06Å
189S49.5Very low56.2Low88 Ų8887.5 Ų87.562%0.61548%0.482SS*.THydrogen-bonded Turntrans-59.2-1.5-169.951.90000116.7L187 T191 A192L187-S189 PolarHBondContact O-N 3.49Å; S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.43Å; S189-A192 WeakPolarHBondContact O-CB 3.29Å; S189-A192 PolarHBondContact O-N 3.04Å; S189-A192 VanDerWaalsContact O-N 3.12Å
190D41.3Very low54.7Low120 Ų12088.8 Ų88.864%0.64248%0.478SS*.Hα-helixtrans-69.5-24.2-170.2-66.6-15.3000112.8Q188Q188-D190 PolarHBondContact O-N 3.06Å
191T45.9Very low52.9Low95 Ų9591 Ų9158%0.58349%0.487SS*.Hα-helixtrans-88-14.5175.356.60000113.8S189 K195S189-T191 VanDerWaalsContact C-N 3.25Å; S189-T191 PolarHBondContact O-N 3.43Å; T191-K195 WeakPolarHBondContact O-CB 3.37Å
192A46.4Very low51.1Low34 Ų3496.5 Ų96.528%0.28151%0.512SS..Hα-helixtrans-77.1-37.2-176.800000112.3S189 M196S189-A192 WeakPolarHBondContact O-CB 3.29Å; S189-A192 PolarHBondContact O-N 3.04Å; S189-A192 VanDerWaalsContact O-N 3.12Å; A192-M196 WeakPolarHBondContact O-CB 3.32Å; A192-M196 PolarHBondContact O-N 2.85Å
193S46.8Very low49.7Very low69 Ų6994.6 Ų94.648%0.48350%0.5SS..Hα-helixtrans-70.5-45.1-17857.60000112.5K195 M196 N197S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.34Å; S193-M196 PolarHBondContact O-N 2.76Å; S193-N197 PolarHBondContact O-N 2.86Å
194E46.9Very low48.2Very low144 Ų14494.4 Ų94.467%0.67350%0.499SS*.Hα-helixtrans-63.8-35.8176.4-82.8-172.3158.700112.2N198E194-N198 PolarHBondContact O-N 2.85Å; E194-N198 PolarHBondContact O-ND2 2.86Å
195K46.2Very low47.1Very low94 Ų9494.2 Ų94.241%0.40950%0.5SS..Hα-helixtrans-79.1-33-178.2-152.9171.2-176.1-169.40112.8T191 S193 N197 N198 L199 N219T191-K195 WeakPolarHBondContact O-CB 3.37Å; S193-K195 VanDerWaalsContact C-N 3.3Å; S193-K195 PolarHBondContact O-N 3.34Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N198 PolarHBondContact O-N 2.98Å; K195-L199 WeakPolarHBondContact O-CD1 3.38Å; K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 2.95Å; K195-N219 PolarHBondContact NZ-OD1 2.96Å
196M47.1Very low46.6Very low59 Ų5990.5 Ų90.529%0.29148%0.479SS..Hα-helixtrans-61.5-41.1172.1-170.764.674.900111.8A192 S193 N198 L199 Q200 M222A192-M196 WeakPolarHBondContact O-CB 3.32Å; A192-M196 PolarHBondContact O-N 2.85Å; S193-M196 PolarHBondContact O-N 2.76Å; M196-N198 VanDerWaalsContact C-N 3.31Å; M196-N198 PolarHBondContact O-N 2.84Å; M196-L199 WeakPolarHBondContact O-CB 3.47Å; M196-L199 PolarHBondContact O-N 2.86Å; M196-L199 VanDerWaalsContact O-N 3.16Å; M196-Q200 PolarHBondContact O-N 2.81Å; M196-Q200 VanDerWaalsContact O-N 3.1Å; M196-M222 HydrophobicContact CE-CE 4.31Å; M196-M222 HydrophobicContact SD-CE 3.99Å
197N46.1Very low46.3Very low92 Ų9287.5 Ų87.549%0.49246%0.457SS..Hα-helixtrans-63.6-36.1177.2-70.3-13.8000112.4S193 K195 Q200S193-N197 PolarHBondContact O-N 2.86Å; K195-N197 VanDerWaalsContact C-N 3.34Å; N197-Q200 PolarHBondContact O-N 3.41Å
198N46.1Very low46.2Very low101 Ų10184.5 Ų84.554%0.5444%0.439SS..Hα-helixtrans-68.4-34.8175-70.1-27000112.3E194 K195 M196 N201 E202E194-N198 PolarHBondContact O-N 2.85Å; E194-N198 PolarHBondContact O-ND2 2.86Å; K195-N198 PolarHBondContact O-N 2.98Å; M196-N198 VanDerWaalsContact C-N 3.31Å; M196-N198 PolarHBondContact O-N 2.84Å; N198-N201 PolarHBondContact O-N 2.03Å; N198-E202 PolarHBondContact O-N 3.04Å
199L48.2Very low46.4Very low37 Ų3783.1 Ų83.119%0.19443%0.433CS..Hα-helixtrans-70.3-32.3177.3-74.5156.4000113.3K195 M196 N201 T203 N219 M222K195-L199 WeakPolarHBondContact O-CD1 3.38Å; K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 2.95Å; M196-L199 WeakPolarHBondContact O-CB 3.47Å; M196-L199 PolarHBondContact O-N 2.86Å; M196-L199 VanDerWaalsContact O-N 3.16Å; L199-N201 VanDerWaalsContact C-N 3.25Å; L199-N201 PolarHBondContact O-N 2.9Å; L199-T203 WeakPolarHBondContact O-CG2 3.42Å; L199-T203 PolarHBondContact O-OG1 3.45Å; L199-N219 WeakPolarHBondContact CD1-ND2 3.34Å; L199-M222 HydrophobicContact CD1-CE 3.79Å; L199-M222 HydrophobicContact CD1-SD 3.89Å; L199-M222 HydrophobicContact CD2-SD 4.3Å
200Q49.3Very low46.1Very low64 Ų6481.1 Ų81.130%0.29942%0.417SS..Hα-helixtrans-62.8-34173-75-177.6-22.800111.6W86 M196 N197W86-Q200 PolarHBondContact NE1-O 2.86Å; M196-Q200 PolarHBondContact O-N 2.81Å; M196-Q200 VanDerWaalsContact O-N 3.1Å; N197-Q200 PolarHBondContact O-N 3.41Å
201N48.2Very low46Very low102 Ų10278.5 Ų78.555%0.54542%0.418SS..Hα-helixtrans-81.5-34.2-178.6-72.6-23.7000114.3N198 L199N198-N201 PolarHBondContact O-N 2.03Å; L199-N201 VanDerWaalsContact C-N 3.25Å; L199-N201 PolarHBondContact O-N 2.9Å
202E46.6Very low45.5Very low131 Ų13181.7 Ų81.761%0.61243%0.432SS*.Hα-helixtrans-85.1-18.3-172.6-76.2-168.6161.300115.5N198 L204N198-E202 PolarHBondContact O-N 3.04Å; E202-L204 PolarHBondContact O-N 3.33Å
203T49Very low45Very low32 Ų3283 Ų8320%0.19644%0.436CS..Hα-helixtrans-85.3-9.8-160.950.10000116.9W86 R135 L199 F207W86-T203 WeakPolarHBondContact CZ2-OG1 3.48Å; R135-T203 PolarHBondContact NH1-OG1 3.01Å; L199-T203 WeakPolarHBondContact O-CG2 3.42Å; L199-T203 PolarHBondContact O-OG1 3.45Å; T203-F207 WeakPolarHBondContact O-CB 3.36Å; T203-F207 PolarHBondContact O-N 2.64Å
204L44.7Very low44.5Very low11 Ų1191.1 Ų91.16%0.05846%0.456CS..Hα-helixtrans-77.7-42178.4-131.3159.1000113F79 W86 Q89 E90 E202 R206 F207 Q208F79-L204 HydrophobicContact CZ-CD1 4.46Å; W86-L204 HydrophobicContact CB-CD1 3.54Å; W86-L204 HydrophobicContact CD2-CD1 4.4Å; W86-L204 HydrophobicContact CG-CD1 3.65Å; Q89-L204 HydrophobicContact CB-CD1 4.28Å; Q89-L204 VanDerWaalsContact OE1-CD1 3.25Å; E90-L204 HydrophobicContact CG-CD1 4.42Å; E90-L204 HydrophobicContact CG-CD2 4.01Å; E202-L204 PolarHBondContact O-N 3.33Å; L204-R206 PolarHBondContact O-N 3.4Å; L204-F207 WeakPolarHBondContact O-CB 3.14Å; L204-F207 PolarHBondContact O-N 3.24Å; L204-Q208 PolarHBondContact O-N 3.24Å
205I43.8Very low44.5Very low129 Ų12991.5 Ų91.566%0.66245%0.452SS*.Hα-helixtrans-61.7-34.9175.1-60.5177.2000110.3Q209I205-Q209 WeakPolarHBondContact O-CB 3.44Å; I205-Q209 WeakPolarHBondContact O-CG 3.45Å; I205-Q209 PolarHBondContact O-N 3.36Å
206R45.4Very low44.4Very low94 Ų9491.5 Ų91.536%0.35546%0.456SS..Hα-helixtrans-72.8-40.9172.4-66.3-103.5-141.4168.37.9111.7L204 Q208 Q209 T210 D216L204-R206 PolarHBondContact O-N 3.4Å; R206-Q208 PolarHBondContact O-N 3.19Å; R206-Q208 VanDerWaalsContact O-N 3.09Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.17Å; R206-T210 VanDerWaalsContact C-OG1 3.27Å; R206-T210 VanDerWaalsContact O-CB 3.29Å; R206-T210 WeakPolarHBondContact O-CB 3.45Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.39Å; R206-D216 IonicContact NH2-OD2 2.76Å; R206-D216 PolarHBondContact NH2-OD2 3.26Å
207F46.7Very low44.4Very low21 Ų2193.5 Ų93.59%0.09247%0.467CS..Hα-helixtrans-53-38.1-175.9-162.3-79.1000113.2I68 K133 R135 T203 L204I68-F207 HydrophobicContact CB-CE1 4.12Å; I68-F207 HydrophobicContact CD1-CD1 3.26Å; I68-F207 HydrophobicContact CD1-CE1 3.06Å; I68-F207 HydrophobicContact CD1-CG 4.41Å; I68-F207 HydrophobicContact CD1-CZ 4.04Å; I68-F207 HydrophobicContact CG1-CD1 4.04Å; I68-F207 HydrophobicContact CG1-CE1 3.29Å; I68-F207 HydrophobicContact CG1-CZ 3.87Å; K133-F207 HydrophobicContact CB-CE1 4.43Å; K133-F207 HydrophobicContact CB-CZ 4.29Å; R135-F207 HydrophobicContact CB-CE2 4.24Å; T203-F207 WeakPolarHBondContact O-CB 3.36Å; T203-F207 PolarHBondContact O-N 2.64Å; L204-F207 WeakPolarHBondContact O-CB 3.14Å; L204-F207 PolarHBondContact O-N 3.24Å
208Q44.5Very low44.3Very low90 Ų9093.1 Ų93.142%0.42147%0.472SS..Hα-helixtrans-83.5-34.9175.4-62.8-169.6-6.600113.8Y77 E90 L204 R206Y77-Q208 PolarHBondContact OH-NE2 3.4Å; E90-Q208 PolarHBondContact OE1-NE2 3.22Å; L204-Q208 PolarHBondContact O-N 3.24Å; R206-Q208 PolarHBondContact O-N 3.19Å; R206-Q208 VanDerWaalsContact O-N 3.09Å
209Q44.7Very low44.6Very low139 Ų13988.9 Ų88.965%0.6545%0.449SS*.Hα-helixtrans-87.7-8.9-175.4-66.3-178.4-7.100114.5I205 R206 G211I205-Q209 WeakPolarHBondContact O-CB 3.44Å; I205-Q209 WeakPolarHBondContact O-CG 3.45Å; I205-Q209 PolarHBondContact O-N 3.36Å; R206-Q209 CarbonylContact O-C 3.59Å; R206-Q209 PolarHBondContact O-N 3.17Å; Q209-G211 PolarHBondContact O-N 3.35Å
210T44.5Very low44.9Very low45 Ų4592.4 Ų92.428%0.27647%0.474SS..THydrogen-bonded Turntrans-79.142.1-178.3-48.40000112.2R206 N212 T213R206-T210 VanDerWaalsContact C-OG1 3.27Å; R206-T210 VanDerWaalsContact O-CB 3.29Å; R206-T210 WeakPolarHBondContact O-CB 3.45Å; R206-T210 PolarHBondContact O-N 3.45Å; R206-T210 PolarHBondContact O-OG1 3.39Å; T210-N212 VanDerWaalsContact C-N 3.31Å; T210-T213 WeakPolarHBondContact CG2-O 3.48Å
211G38.7Very low45.6Very low65 Ų6592.4 Ų92.467%0.6747%0.474SS*.THydrogen-bonded Turntrans-71.9-30.1156.600000111.3Q209Q209-G211 PolarHBondContact O-N 3.35Å
212N36.5Very low46.6Very low163 Ų16389.1 Ų89.187%0.87246%0.456SS*.SBendtrans-134.9-11.6-168.6-75.1-17000116.3T210 R214T210-N212 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.64Å; N212-R214 VanDerWaalsContact O-N 3.1Å
213T34.5Very low48.2Very low60 Ų6083.9 Ų83.937%0.36843%0.433SS..  trans-79.6100.9174.454.10000109.6T210 W215T210-T213 WeakPolarHBondContact CG2-O 3.48Å; T213-W215 PolarHBondContact O-N 3.4Å
214R37.5Very low50Low240 Ų24083.9 Ų83.991%0.90644%0.436SS*.  trans-38.1124.2161.6-128.4177-169.5172.42.5108.7N212 D216N212-R214 PolarHBondContact O-N 2.64Å; N212-R214 VanDerWaalsContact O-N 3.1Å; R214-D216 PolarHBondContact O-N 3.41Å
215W47Very low52.1Low153 Ų15384 Ų8458%0.5844%0.44SS*.  trans-40.2122-177.5-54.291.1000111.9Y153 M155 T213 L217Y153-W215 HydrophobicContact CD1-CZ3 4.46Å; Y153-W215 HydrophobicContact CE1-CH2 4.07Å; Y153-W215 AromaticContact CE1-CZ3 3.64Å; Y153-W215 HydrophobicContact CE1-CZ3 3.64Å; M155-W215 HydrophobicContact SD-CH2 3.77Å; T213-W215 PolarHBondContact O-N 3.4Å; W215-L217 HydrophobicContact CB-CD1 4.06Å; W215-L217 HydrophobicContact CB-CG 4.17Å; W215-L217 PolarHBondContact O-N 2.95Å
216D42.7Very low54.3Low94 Ų9480.8 Ų80.850%0.50343%0.427SS..  trans-80.574.5169.7-164.2-2.4000108.4R206 R214 S218R206-D216 IonicContact NH2-OD2 2.76Å; R206-D216 PolarHBondContact NH2-OD2 3.26Å; R214-D216 PolarHBondContact O-N 3.41Å; D216-S218 PolarHBondContact O-N 2.87Å; D216-S218 WeakPolarHBondContact OD1-CB 3.27Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 2.91Å
217L46.9Very low56.5Low100 Ų10076.7 Ų76.752%0.52441%0.412SS..THydrogen-bonded Turntrans-67.720.8168.9-75.8146.8000111.7W215 N219W215-L217 HydrophobicContact CB-CD1 4.06Å; W215-L217 HydrophobicContact CB-CG 4.17Å; W215-L217 PolarHBondContact O-N 2.95Å; L217-N219 PolarHBondContact O-N 3.12Å; L217-N219 VanDerWaalsContact O-N 3.17Å
218S45.4Very low58.6Low84 Ų8480.4 Ų80.459%0.58743%0.433SS*.THydrogen-bonded Turntrans-64.8-14.5177.358.60000113.3D216 P220D216-S218 PolarHBondContact O-N 2.87Å; D216-S218 WeakPolarHBondContact OD1-CB 3.27Å; D216-S218 PolarHBondContact OD1-N 3.18Å; D216-S218 PolarHBondContact OD1-OG 2.91Å; S218-P220 WeakPolarHBondContact O-CD 3.03Å
219N52.2Low60.6Low13 Ų1379.4 Ų79.47%0.0743%0.434CS..  trans-84.3109.6173.7-162.817.5000110.9K195 L199 L217 Q221 M222K195-N219 PolarHBondContact NZ-OD1 2.96Å; L199-N219 WeakPolarHBondContact CD1-ND2 3.34Å; L217-N219 PolarHBondContact O-N 3.12Å; L217-N219 VanDerWaalsContact O-N 3.17Å; N219-Q221 PolarHBondContact O-N 3.31Å; N219-M222 PolarHBondContact O-N 3.1Å
220P54.7Low62.6Low111 Ų11176.3 Ų76.372%0.72143%0.427SS*.THydrogen-bonded Turntrans-64.4-9.9177.427.6-36.5000113.5S218S218-P220 WeakPolarHBondContact O-CD 3.03Å
221Q63.3Low64.9Low63 Ų6379.6 Ų79.629%0.29444%0.44SS..THydrogen-bonded Turntrans-91.4-9.2-179.4-63.7-176.8-40.500114.4T150 T151 N219T150-Q221 VanDerWaalsContact OG1-C 3.27Å; T150-Q221 PolarHBondContact OG1-O 2.66Å; T151-Q221 PolarHBondContact N-O 3.48Å; N219-Q221 PolarHBondContact O-N 3.31Å
222M69.7Low67.5Low33 Ų3380.1 Ų80.116%0.16343%0.427CS..EExtended strand (participates in β ladder)trans-117.5125.5-179.5-77.1-179.7161.300111.1T151 M196 L199 N219T151-M222 HydrophobicContact CG2-CE 4.47Å; T151-M222 WeakPolarHBondContact O-CA 3.36Å; M196-M222 HydrophobicContact CE-CE 4.31Å; M196-M222 HydrophobicContact SD-CE 3.99Å; L199-M222 HydrophobicContact CD1-CE 3.79Å; L199-M222 HydrophobicContact CD1-SD 3.89Å; L199-M222 HydrophobicContact CD2-SD 4.3Å; N219-M222 PolarHBondContact O-N 3.1Å
223T80.9Confident70.3Confident22 Ų2279.4 Ų79.414%0.13541%0.413CS..EExtended strand (participates in β ladder)trans-112136.5178.1-56.20000109.5T150 T151 L152 Y153 I175T150-T223 WeakPolarHBondContact CG2-OG1 3.49Å; T150-T223 PolarHBondContact OG1-OG1 2.99Å; T151-T223 PolarHBondContact O-N 3.12Å; L152-T223 WeakPolarHBondContact CA-O 3.47Å; Y153-T223 PolarHBondContact N-O 2.9Å; I175-T223 HydrophobicContact CB-CG2 4.15Å
224A86.4Confident73.2Confident31 Ų3177.6 Ų77.626%0.25640%0.399SS..EExtended strand (participates in β ladder)trans-75139.7174.600000110.6Y153 V176Y153-A224 CarbonylContact O-C 3.58Å; V176-A224 HydrophobicContact CB-CB 4.26Å; V176-A224 WeakPolarHBondContact CB-O 3.33Å; V176-A224 HydrophobicContact CG2-CB 4.46Å; V176-A224 PolarHBondContact N-O 3.4Å
225G87.9Confident76Confident13 Ų1367.6 Ų67.613%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-110.8155.217400000111.9L152 Y153 K174L152-G225 VanDerWaalsContact CD1-CA 3.46Å; Y153-G225 PolarHBondContact O-N 3.45Å; K174-G225 CarbonylContact O-C 3.58Å; K174-G225 WeakPolarHBondContact O-CA 3.46Å
226T90.8Very high78.2Confident63 Ų6364.3 Ų64.339%0.38736%0.363SS..EExtended strand (participates in β ladder)trans-143.1175.6178-167.10000109.4K174 V176K174-T226 HydrophobicContact CB-CG2 4.05Å; K174-T226 HydrophobicContact CG-CG2 4.2Å; K174-T226 PolarHBondContact N-O 3.22Å; K174-T226 PolarHBondContact O-N 3.18Å; K174-T226 VanDerWaalsContact O-O 3.09Å; V176-T226 HydrophobicContact CG2-CG2 3.8Å
227L91.4Very high80.6Confident8 Ų860.9 Ų60.94%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-112.9136.3174.2-68.8173.3000110.3F156 I169 N172 L251F156-L227 HydrophobicContact CD1-CD1 4.24Å; F156-L227 HydrophobicContact CE1-CB 4.49Å; F156-L227 HydrophobicContact CE1-CD1 3.26Å; F156-L227 HydrophobicContact CE1-CG 3.54Å; F156-L227 HydrophobicContact CE2-CD1 4.3Å; F156-L227 HydrophobicContact CZ-CD1 3.29Å; F156-L227 HydrophobicContact CZ-CD2 4.18Å; F156-L227 HydrophobicContact CZ-CG 3.55Å; I169-L227 HydrophobicContact CG2-CD1 3.51Å; N172-L227 WeakPolarHBondContact O-CA 3.48Å; L227-L251 HydrophobicContact CD1-CD2 4.07Å; L227-L251 HydrophobicContact CD2-CD2 3.62Å; L227-L251 HydrophobicContact CG-CD2 4.41Å
228N90.1Very high82.6Confident99 Ų9958.2 Ų58.253%0.52934%0.336SS..EExtended strand (participates in β ladder)trans-148.1109172.7-177.439.7000112.2N172 K174N172-N228 WeakPolarHBondContact CB-O 3.37Å; N172-N228 PolarHBondContact O-N 2.85Å; K174-N228 HydrophobicContact CD-CB 4.02Å
229P86.7Confident84.7Confident68 Ų6854.2 Ų54.244%0.44231%0.308SS..EExtended strand (participates in β ladder)cis-65.6156.8-3.929.9-35.4000111.3G171G171-P229 WeakPolarHBondContact CA-O 3.46Å
230S88Confident86.4Confident74 Ų7453.8 Ų53.852%0.51731%0.307SS..EExtended strand (participates in β ladder)trans-108.1120.2171.658.60000109.7
231E92.1Very high87.9Confident115 Ų11559.1 Ų59.154%0.53731%0.313SS..EExtended strand (participates in β ladder)trans-115104.2174.8-68.3173.8179.500107.3I169 S170I169-E231 CarbonylContact C-O 3.49Å; I169-E231 WeakPolarHBondContact CA-O 3.44Å; S170-E231 PolarHBondContact N-O 3.07Å; S170-E231 WeakPolarHBondContact O-CB 2.99Å; S170-E231 PolarHBondContact O-N 3.27Å; S170-E231 WeakPolarHBondContact OG-CB 3.49Å; S170-E231 PolarHBondContact OG-OE2 2.7Å
232L93.7Very high89.2Confident75 Ų7560.5 Ų60.539%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-113.3116.8175.3-59.9100.2000108.2W167 I169W167-L232 HydrophobicContact CZ2-CD2 4.37Å; I169-L232 HydrophobicContact CG1-CD2 4.31Å
233Y94.9Very high90.4Very high148 Ų14860.6 Ų60.658%0.5833%0.334SS*.EExtended strand (participates in β ladder)trans-116.4123-180-171.4-103.8000110.4S168 T235S168-Y233 PolarHBondContact N-O 2.96Å; S168-Y233 PolarHBondContact O-N 3.37Å; Y233-T235 VanDerWaalsContact CE1-OG1 3.26Å; Y233-T235 WeakPolarHBondContact CE1-OG1 3.43Å
234W95.8Very high91.1Very high22 Ų2265.8 Ų65.88%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-107.2112175.6-176.6-97.1000109I129 A132 H158 V162 G164 W167 P236 F245I129-W234 HydrophobicContact CG2-CH2 4.07Å; A132-W234 HydrophobicContact CB-CH2 4.35Å; A132-W234 HydrophobicContact CB-CZ3 4Å; H158-W234 HydrophobicContact CB-CE3 4.4Å; H158-W234 AromaticContact CD2-CD2 3.31Å; H158-W234 AromaticContact CD2-CE3 3.15Å; H158-W234 AromaticContact CD2-CG 3.67Å; H158-W234 AromaticContact CD2-CZ3 3.73Å; H158-W234 AromaticContact CG-CE3 3.91Å; H158-W234 VanDerWaalsContact NE2-CB 3.34Å; H158-W234 WeakPolarHBondContact NE2-CB 3.42Å; H158-W234 AromaticContact NE2-CD1 3.98Å; H158-W234 AromaticContact NE2-CD2 3.53Å; H158-W234 AromaticContact NE2-CE3 3.85Å; H158-W234 AromaticContact NE2-CG 3.33Å; H158-W234 VanDerWaalsContact NE2-CG 3.33Å; V162-W234 PolarHBondContact O-NE1 3.29Å; G164-W234 VanDerWaalsContact CA-CE2 3.49Å; W167-W234 HydrophobicContact CB-CE3 3.88Å; W167-W234 HydrophobicContact CB-CZ3 3.94Å; W167-W234 AromaticContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CE3 3.94Å; W167-W234 HydrophobicContact CG-CZ3 4.1Å; W234-P236 VanDerWaalsContact O-CD 3.24Å; W234-P236 WeakPolarHBondContact O-CD 3.49Å; W234-F245 AromaticContact CH2-CE2 3.82Å; W234-F245 HydrophobicContact CH2-CE2 3.82Å; W234-F245 AromaticContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CZ2-CE2 4.31Å; W234-F245 HydrophobicContact CZ3-CE2 4.22Å; W234-F245 AromaticContact CZ3-CZ 3.68Å; W234-F245 HydrophobicContact CZ3-CZ 3.68Å
235T95.3Very high91.6Very high30 Ų3064.3 Ų64.318%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-81.8113.8178.3-54.40000108.9G164 C165 E166 Y233 G237G164-T235 VanDerWaalsContact CA-O 3.29Å; G164-T235 WeakPolarHBondContact CA-O 3.45Å; C165-T235 PolarHBondContact N-O 3.5Å; E166-T235 PolarHBondContact O-N 2.79Å; Y233-T235 VanDerWaalsContact CE1-OG1 3.26Å; Y233-T235 WeakPolarHBondContact CE1-OG1 3.43Å; T235-G237 PolarHBondContact O-N 3.22Å
236P94.4Very high92Very high84 Ų8464.7 Ų64.755%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-64.5133.2176.5-1630.9000110.2V162 S163 W234V162-P236 HydrophobicContact CG1-CB 4Å; S163-P236 WeakPolarHBondContact O-CA 2.97Å; W234-P236 VanDerWaalsContact O-CD 3.24Å; W234-P236 WeakPolarHBondContact O-CD 3.49Å
237G91.9Very high92.3Very high22 Ų2261.7 Ų61.723%0.22732%0.32CS..  trans178.3164.3-17900000113.1S163 G164 T235S163-G237 CarbonylContact C-O 3.47Å; S163-G237 VanDerWaalsContact CB-O 3.27Å; S163-G237 WeakPolarHBondContact CB-O 3.42Å; S163-G237 PolarHBondContact O-N 3.05Å; S163-G237 PolarHBondContact OG-O 3.01Å; G164-G237 CarbonylContact C-O 3.52Å; G164-G237 VanDerWaalsContact C-O 3.23Å; G164-G237 PolarHBondContact N-O 2.86Å; T235-G237 PolarHBondContact O-N 3.22Å
238D90.3Very high92.6Very high44 Ų4463.3 Ų63.324%0.23533%0.329CS..  trans-96.197.7173.6-167.9-39.4000108.2R128 G240 R241 V242R128-D238 IonicContact CZ-OD2 3.51Å; R128-D238 IonicContact NE-OD2 3.03Å; R128-D238 PolarHBondContact NE-OD2 2.95Å; R128-D238 IonicContact NH2-OD2 3.47Å; R128-D238 PolarHBondContact NH2-OD2 3.14Å; D238-G240 PolarHBondContact O-N 3.46Å; D238-G240 PolarHBondContact OD1-N 3.34Å; D238-R241 HydrophobicContact CB-CB 3.9Å; D238-R241 WeakPolarHBondContact O-CB 3.42Å; D238-R241 PolarHBondContact O-N 3.37Å; D238-R241 VanDerWaalsContact O-N 3.08Å; D238-R241 PolarHBondContact OD1-N 3.1Å; D238-R241 VanDerWaalsContact OD1-N 3.1Å; D238-V242 PolarHBondContact O-N 2.92Å; D238-V242 VanDerWaalsContact O-N 3.14Å
239A87.8Confident92.9Very high0 Ų058.7 Ų58.70%030%0.304CS..Hα-helixtrans-57.3-36.9-179.300000112.1M123 I129 G164 V242 G243 R244 F245M123-A239 HydrophobicContact CB-CB 4.36Å; M123-A239 HydrophobicContact CG-CB 3.95Å; I129-A239 HydrophobicContact CG1-CB 4.44Å; G164-A239 WeakPolarHBondContact O-CB 3.05Å; A239-V242 PolarHBondContact O-N 3.43Å; A239-G243 CarbonylContact O-C 3.6Å; A239-G243 WeakPolarHBondContact O-CA 3.15Å; A239-G243 PolarHBondContact O-N 3.31Å; A239-R244 PolarHBondContact O-N 3.14Å; A239-R244 VanDerWaalsContact O-N 3.11Å; A239-F245 HydrophobicContact CB-CB 4.08Å; A239-F245 HydrophobicContact CB-CD2 4.1Å
240G87.7Confident93.4Very high4 Ų457.6 Ų57.64%0.04130%0.296CS..Hα-helixtrans-63.4-40.4175.200000112.6E124 A125 E127 D238 G243E124-G240 WeakPolarHBondContact O-CA 3.45Å; A125-G240 WeakPolarHBondContact CA-O 3.34Å; E127-G240 WeakPolarHBondContact O-CA 3.14Å; E127-G240 PolarHBondContact O-N 3.24Å; E127-G240 VanDerWaalsContact O-N 3.16Å; D238-G240 PolarHBondContact O-N 3.46Å; D238-G240 PolarHBondContact OD1-N 3.34Å; G240-G243 PolarHBondContact O-N 2.89Å
241R88Confident93.7Very high224 Ų22454.1 Ų54.185%0.84527%0.271SS*.Hα-helixtrans-66-38.3176.4-172.2178.9178.9-177.90113D238 G243D238-R241 HydrophobicContact CB-CB 3.9Å; D238-R241 WeakPolarHBondContact O-CB 3.42Å; D238-R241 PolarHBondContact O-N 3.37Å; D238-R241 VanDerWaalsContact O-N 3.08Å; D238-R241 PolarHBondContact OD1-N 3.1Å; D238-R241 VanDerWaalsContact OD1-N 3.1Å; R241-G243 VanDerWaalsContact C-N 3.28Å
242V89.6Confident93.8Very high92 Ų9251 Ų5156%0.55826%0.258SS*.Hα-helixtrans-75.5-23.9175.9-176.30000110.9D238 A239 R244D238-V242 PolarHBondContact O-N 2.92Å; D238-V242 VanDerWaalsContact O-N 3.14Å; A239-V242 PolarHBondContact O-N 3.43Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 HydrophobicContact CG1-CG 4.12Å
243G94.3Very high93.8Very high34 Ų3447.6 Ų47.635%0.35124%0.24SC..THydrogen-bonded Turntrans83.85.1-177.300000113.7M123 A239 G240 R241M123-G243 PolarHBondContact N-O 3.34Å; M123-G243 CarbonylContact O-C 3.55Å; M123-G243 WeakPolarHBondContact O-CA 3.36Å; A239-G243 CarbonylContact O-C 3.6Å; A239-G243 WeakPolarHBondContact O-CA 3.15Å; A239-G243 PolarHBondContact O-N 3.31Å; G240-G243 PolarHBondContact O-N 2.89Å; R241-G243 VanDerWaalsContact C-N 3.28Å
244R95.4Very high93.6Very high132 Ų13242 Ų4250%0.49822%0.224SC..EExtended strand (participates in β ladder)trans-154.3157.2177.969.4-177-167.5-157.3-1.7113.4F121 A239 V242 D246F121-R244 CarbonylContact O-C 3.59Å; F121-R244 WeakPolarHBondContact O-CA 3.36Å; F121-R244 WeakPolarHBondContact O-CB 3.08Å; A239-R244 PolarHBondContact O-N 3.14Å; A239-R244 VanDerWaalsContact O-N 3.11Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 HydrophobicContact CG1-CG 4.12Å; R244-D246 WeakPolarHBondContact CD-OD1 3.31Å; R244-D246 IonicContact CZ-OD2 3.95Å; R244-D246 IonicContact NE-OD1 3.59Å; R244-D246 IonicContact NE-OD2 2.83Å; R244-D246 PolarHBondContact NE-OD2 3.49Å; R244-D246 IonicContact NH2-OD2 3.34Å
245F96.7Very high93.3Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-121.9120.8168.5-175.5-91.9000109.6L69 F121 M123 I129 G164 C165 W167 W234 A239 V247L69-F245 HydrophobicContact CD1-CB 4.3Å; L69-F245 HydrophobicContact CD1-CD1 3.66Å; L69-F245 HydrophobicContact CD1-CE1 4.29Å; L69-F245 HydrophobicContact CD1-CG 4.15Å; L69-F245 HydrophobicContact CD2-CD1 3.73Å; L69-F245 HydrophobicContact CD2-CE1 3.47Å; L69-F245 VanDerWaalsContact CD2-CE1 3.47Å; L69-F245 HydrophobicContact CD2-CZ 4.29Å; L69-F245 HydrophobicContact CG-CD1 4.35Å; F121-F245 HydrophobicContact CB-CB 4.42Å; F121-F245 PolarHBondContact N-O 3.21Å; F121-F245 PolarHBondContact O-N 3.47Å; M123-F245 HydrophobicContact CE-CB 4.08Å; M123-F245 HydrophobicContact CG-CB 3.93Å; M123-F245 HydrophobicContact SD-CB 4.41Å; I129-F245 HydrophobicContact CB-CD2 4.02Å; I129-F245 HydrophobicContact CB-CE2 4.03Å; I129-F245 HydrophobicContact CG1-CD2 4.02Å; I129-F245 HydrophobicContact CG1-CG 4.33Å; I129-F245 HydrophobicContact CG2-CD2 4.26Å; I129-F245 HydrophobicContact CG2-CE2 3.93Å; I129-F245 HydrophobicContact CG2-CZ 4.16Å; G164-F245 WeakPolarHBondContact O-CD2 2.95Å; C165-F245 WeakPolarHBondContact O-CA 3.41Å; W167-F245 HydrophobicContact CB-CE1 4.32Å; W167-F245 HydrophobicContact CB-CZ 4.01Å; W234-F245 AromaticContact CH2-CE2 3.82Å; W234-F245 HydrophobicContact CH2-CE2 3.82Å; W234-F245 AromaticContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CH2-CZ 3.65Å; W234-F245 HydrophobicContact CZ2-CE2 4.31Å; W234-F245 HydrophobicContact CZ3-CE2 4.22Å; W234-F245 AromaticContact CZ3-CZ 3.68Å; W234-F245 HydrophobicContact CZ3-CZ 3.68Å; A239-F245 HydrophobicContact CB-CB 4.08Å; A239-F245 HydrophobicContact CB-CD2 4.1Å; F245-V247 HydrophobicContact CD1-CG2 3.94Å; F245-V247 HydrophobicContact CE1-CG2 3.6Å
246D96.8Very high93.1Very high21 Ų2145.9 Ų45.911%0.11224%0.243CC..EExtended strand (participates in β ladder)trans-102.8129.5-173.3-64-38.2000111S120 C165 E166 W167 R244S120-D246 VanDerWaalsContact CB-OD1 3.25Å; S120-D246 WeakPolarHBondContact CB-OD1 3.37Å; S120-D246 PolarHBondContact OG-OD1 3.41Å; C165-D246 PolarHBondContact O-N 2.75Å; E166-D246 CarbonylContact C-O 3.57Å; E166-D246 WeakPolarHBondContact CA-O 3.29Å; E166-D246 HydrophobicContact CB-CB 4.4Å; E166-D246 HydrophobicContact CG-CB 4.23Å; W167-D246 PolarHBondContact N-O 3.08Å; R244-D246 WeakPolarHBondContact CD-OD1 3.31Å; R244-D246 IonicContact CZ-OD2 3.95Å; R244-D246 IonicContact NE-OD1 3.59Å; R244-D246 IonicContact NE-OD2 2.83Å; R244-D246 PolarHBondContact NE-OD2 3.49Å; R244-D246 IonicContact NH2-OD2 3.34Å
247V97.3Very high93Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-113.9116.4173.7179.50000108.2S118 A119 W167 F245 I249S118-V247 CarbonylContact C-O 3.48Å; S118-V247 VanDerWaalsContact CA-O 3.27Å; S118-V247 WeakPolarHBondContact CA-O 3.4Å; A119-V247 HydrophobicContact CB-CB 4.38Å; A119-V247 PolarHBondContact N-O 3.25Å; A119-V247 PolarHBondContact O-N 3.07Å; W167-V247 HydrophobicContact CE3-CG1 4.2Å; W167-V247 HydrophobicContact CE3-CG2 4.41Å; W167-V247 CarbonylContact O-C 3.58Å; W167-V247 WeakPolarHBondContact O-CA 3.42Å; F245-V247 HydrophobicContact CD1-CG2 3.94Å; F245-V247 HydrophobicContact CE1-CG2 3.6Å; V247-I249 HydrophobicContact CG1-CD1 4.05Å; V247-I249 HydrophobicContact CG1-CG1 4.01Å
248N97.5Very high93Very high42 Ų4244.4 Ų44.423%0.22523%0.227CC..EExtended strand (participates in β ladder)trans-120.5117.8-176.7-71.5-45.6000110.3S118 E166 W167 S168 I169S118-N248 PolarHBondContact OG-OD1 3.34Å; E166-N248 PolarHBondContact OE1-ND2 2.86Å; W167-N248 PolarHBondContact O-N 2.98Å; S168-N248 CarbonylContact C-O 3.48Å; S168-N248 WeakPolarHBondContact CA-O 3.23Å; I169-N248 PolarHBondContact N-O 3.26Å
249I97Very high93Very high2 Ų244.2 Ų44.21%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-125.9126-175.9-51.4-179.6000109.2K116 F117 I134 L136 I169 V247 L251K116-I249 WeakPolarHBondContact CA-O 3.32Å; F117-I249 HydrophobicContact CB-CB 4.17Å; F117-I249 HydrophobicContact CD1-CB 4.43Å; F117-I249 HydrophobicContact CD1-CD1 3.97Å; F117-I249 HydrophobicContact CD1-CG1 4.23Å; F117-I249 PolarHBondContact N-O 3.06Å; F117-I249 PolarHBondContact O-N 2.97Å; I134-I249 HydrophobicContact CD1-CD1 3.42Å; I134-I249 VanDerWaalsContact CD1-CD1 3.42Å; I134-I249 HydrophobicContact CG1-CD1 4.47Å; I134-I249 HydrophobicContact CG2-CD1 4.04Å; L136-I249 HydrophobicContact CD1-CD1 4.23Å; L136-I249 HydrophobicContact CD1-CG2 4.47Å; I169-I249 HydrophobicContact CB-CB 4.47Å; I169-I249 HydrophobicContact CB-CG1 4.14Å; I169-I249 HydrophobicContact CB-CG2 4.17Å; I169-I249 HydrophobicContact CD1-CD1 3.88Å; I169-I249 HydrophobicContact CD1-CG1 3.92Å; I169-I249 HydrophobicContact CG1-CG1 4.42Å; I169-I249 HydrophobicContact CG2-CG2 4.36Å; I169-I249 CarbonylContact O-C 3.5Å; I169-I249 VanDerWaalsContact O-CA 3.29Å; I169-I249 WeakPolarHBondContact O-CA 3.41Å; V247-I249 HydrophobicContact CG1-CD1 4.05Å; V247-I249 HydrophobicContact CG1-CG1 4.01Å; I249-L251 HydrophobicContact CG2-CD1 4.25Å; I249-L251 HydrophobicContact CG2-CD2 3.54Å; I249-L251 HydrophobicContact CG2-CG 3.68Å
250V96Very high93.1Very high45 Ų4544.4 Ų44.427%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-125.3101.5177.1-175.70000108.3Q114 L115 K116 I169 S170 G171Q114-V250 VanDerWaalsContact CD-CG1 3.42Å; Q114-V250 HydrophobicContact CG-CG1 3.83Å; Q114-V250 VanDerWaalsContact NE2-CG1 3.25Å; L115-V250 WeakPolarHBondContact O-CA 3.37Å; K116-V250 HydrophobicContact CG-CG2 4.48Å; I169-V250 PolarHBondContact O-N 3.29Å; S170-V250 WeakPolarHBondContact CA-O 3.41Å; G171-V250 PolarHBondContact N-O 2.75Å
251L96Very high92.9Very high0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-104.3125.5179.8-50.7-179.7000109.4Q114 L115 L136 F138 F156 G171 L227 I249 Y253Q114-L251 CarbonylContact C-O 3.59Å; Q114-L251 WeakPolarHBondContact CA-O 3.49Å; Q114-L251 WeakPolarHBondContact CG-O 3.26Å; L115-L251 HydrophobicContact CB-CB 4.25Å; L115-L251 HydrophobicContact CD2-CD1 3.96Å; L115-L251 HydrophobicContact CD2-CG 4.42Å; L115-L251 PolarHBondContact N-O 3.32Å; L115-L251 PolarHBondContact O-N 3.45Å; L136-L251 HydrophobicContact CD1-CD1 4.01Å; F138-L251 HydrophobicContact CE1-CD1 4.34Å; F138-L251 HydrophobicContact CE2-CD1 4.27Å; F138-L251 HydrophobicContact CZ-CD1 3.56Å; F156-L251 HydrophobicContact CE2-CD2 4.25Å; F156-L251 HydrophobicContact CZ-CD2 4.18Å; G171-L251 WeakPolarHBondContact O-CA 3.47Å; L227-L251 HydrophobicContact CD1-CD2 4.07Å; L227-L251 HydrophobicContact CD2-CD2 3.62Å; L227-L251 HydrophobicContact CG-CD2 4.41Å; I249-L251 HydrophobicContact CG2-CD1 4.25Å; I249-L251 HydrophobicContact CG2-CD2 3.54Å; I249-L251 HydrophobicContact CG2-CG 3.68Å; L251-Y253 HydrophobicContact CB-CE1 4.44Å
252N94.2Very high92.6Very high49 Ų4935.3 Ų35.326%0.26220%0.199SC..EExtended strand (participates in β ladder)trans-93.4133.1172.8-51.7-43.7000109.6E113 Q114 G171 N172 L173 A254E113-N252 CarbonylContact O-C 3.53Å; E113-N252 WeakPolarHBondContact O-CA 3.17Å; Q114-N252 PolarHBondContact NE2-OD1 3.26Å; G171-N252 PolarHBondContact O-N 2.81Å; N172-N252 CarbonylContact C-O 3.53Å; N172-N252 WeakPolarHBondContact CA-O 3.39Å; N172-N252 WeakPolarHBondContact OD1-CB 3.24Å; N172-N252 PolarHBondContact OD1-ND2 3.16Å; L173-N252 PolarHBondContact N-O 2.71Å; N252-A254 PolarHBondContact O-N 3Å
253Y93.1Very high92.3Very high5 Ų534.3 Ų34.32%0.0219%0.191CC..  trans-9198.3169.5-52.4-22000106.4H56 I59 E103 V112 E113 L115 F138 L173 L251H56-Y253 PolarHBondContact CE1-O 3.43Å; H56-Y253 VanDerWaalsContact CE1-O 3.32Å; H56-Y253 PolarHBondContact NE2-O 3.01Å; I59-Y253 HydrophobicContact CB-CD1 4.19Å; I59-Y253 HydrophobicContact CB-CD2 3.82Å; I59-Y253 HydrophobicContact CB-CE1 4.29Å; I59-Y253 HydrophobicContact CB-CE2 3.89Å; I59-Y253 HydrophobicContact CB-CG 3.98Å; I59-Y253 HydrophobicContact CD1-CD1 4.05Å; I59-Y253 HydrophobicContact CD1-CG 4.19Å; I59-Y253 HydrophobicContact CG1-CG 4.47Å; I59-Y253 HydrophobicContact CG2-CD1 4.16Å; I59-Y253 HydrophobicContact CG2-CD2 4.33Å; I59-Y253 HydrophobicContact CG2-CE1 3.82Å; I59-Y253 HydrophobicContact CG2-CE2 3.97Å; I59-Y253 HydrophobicContact CG2-CG 4.42Å; I59-Y253 WeakPolarHBondContact O-CE2 3.2Å; E103-Y253 PolarHBondContact OE1-OH 3.4Å; V112-Y253 HydrophobicContact CB-CD2 3.89Å; V112-Y253 HydrophobicContact CB-CE2 3.87Å; V112-Y253 HydrophobicContact CG1-CD2 3.62Å; V112-Y253 HydrophobicContact CG1-CE2 3.31Å; V112-Y253 WeakPolarHBondContact O-CD2 3.4Å; E113-Y253 PolarHBondContact O-N 3.38Å; L115-Y253 HydrophobicContact CB-CE1 4.33Å; F138-Y253 HydrophobicContact CE1-CE1 4.27Å; F138-Y253 WeakPolarHBondContact CE1-OH 3.26Å; L173-Y253 HydrophobicContact CB-CD1 4.28Å; L173-Y253 HydrophobicContact CD2-CD1 4.02Å; L173-Y253 HydrophobicContact CD2-CE1 3.84Å; L251-Y253 HydrophobicContact CB-CE1 4.44Å
254A90.2Very high91.6Very high29 Ų2935.8 Ų35.824%0.2420%0.2CC..  trans-107.4160.1-177.200000111P57 N172 N252 D256P57-A254 WeakPolarHBondContact CD-O 3.1Å; N172-A254 HydrophobicContact CB-CB 4.16Å; N252-A254 PolarHBondContact O-N 3Å; A254-D256 PolarHBondContact O-N 2.85Å
255E90.2Very high91Very high105 Ų10537.1 Ų37.149%0.49121%0.205SC..  trans-60.6133.6168.1-60-173.1156.300110.7K54 H56K54-E255 VanDerWaalsContact CE-OE2 3.23Å; K54-E255 WeakPolarHBondContact CE-OE2 3.13Å; K54-E255 IonicContact NZ-OE2 3.33Å; K54-E255 PolarHBondContact NZ-OE2 3.48Å; H56-E255 HydrophobicContact CB-CG 3.96Å
256D91.3Very high90.3Very high30 Ų3038.9 Ų38.916%0.1622%0.217CC..EExtended strand (participates in β ladder)trans-133.2168.3173.8-159.84.2000110.6K54 E55 K174 A254 Y258K54-D256 WeakPolarHBondContact CA-O 3.07Å; E55-D256 PolarHBondContact N-O 2.97Å; E55-D256 VanDerWaalsContact N-O 3.12Å; E55-D256 PolarHBondContact O-N 2.9Å; K174-D256 WeakPolarHBondContact CD-OD2 3.49Å; K174-D256 WeakPolarHBondContact CE-OD2 3.43Å; K174-D256 VanDerWaalsContact CG-OD2 3.25Å; K174-D256 WeakPolarHBondContact CG-OD2 3.37Å; K174-D256 VanDerWaalsContact NZ-CG 3.28Å; K174-D256 IonicContact NZ-OD1 2.66Å; K174-D256 PolarHBondContact NZ-OD1 3.36Å; K174-D256 IonicContact NZ-OD2 2.85Å; K174-D256 PolarHBondContact NZ-OD2 3.22Å; A254-D256 PolarHBondContact O-N 2.85Å; D256-Y258 HydrophobicContact CB-CE1 4.28Å; D256-Y258 HydrophobicContact CB-CE2 4.4Å
257T92.4Very high89.6Confident71 Ų7141.9 Ų41.944%0.43623%0.226SC..EExtended strand (participates in β ladder)trans-98.7121.9176.6-530000110.2V53V53-T257 CarbonylContact O-C 3.53Å; V53-T257 WeakPolarHBondContact O-CA 3.44Å
258Y91.4Very high89.1Confident3 Ų346.3 Ų46.31%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-109.6133.6-179.1-55-71.5000110.8S52 V53 E55 P57 F140 L142 I175 D256S52-Y258 CarbonylContact C-O 3.59Å; S52-Y258 WeakPolarHBondContact CA-O 3.35Å; V53-Y258 PolarHBondContact N-O 2.86Å; V53-Y258 PolarHBondContact O-N 3.19Å; E55-Y258 HydrophobicContact CB-CD2 4.2Å; E55-Y258 HydrophobicContact CB-CE2 4.19Å; E55-Y258 WeakPolarHBondContact O-CE2 3.14Å; P57-Y258 WeakPolarHBondContact CD-OH 3.2Å; P57-Y258 VanDerWaalsContact CG-OH 3.24Å; P57-Y258 WeakPolarHBondContact CG-OH 3.22Å; F140-Y258 AromaticContact CZ-CE1 3.93Å; F140-Y258 HydrophobicContact CZ-CE1 3.93Å; F140-Y258 AromaticContact CZ-CZ 4Å; L142-Y258 HydrophobicContact CD1-CD1 4.47Å; L142-Y258 HydrophobicContact CD1-CD2 4.15Å; L142-Y258 HydrophobicContact CD1-CG 4.1Å; L142-Y258 HydrophobicContact CD2-CD2 3.85Å; L142-Y258 HydrophobicContact CD2-CE2 3.58Å; I175-Y258 HydrophobicContact CD1-CD1 3.71Å; I175-Y258 HydrophobicContact CD1-CE1 3.7Å; I175-Y258 HydrophobicContact CG1-CD1 4.16Å; I175-Y258 HydrophobicContact CG1-CE1 3.9Å; D256-Y258 HydrophobicContact CB-CE1 4.28Å; D256-Y258 HydrophobicContact CB-CE2 4.4Å
259S90.6Very high88.6Confident41 Ų4150 Ų5029%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-83.4122.4168.4-63.30000109.6I51 Q177 P180 L181I51-S259 WeakPolarHBondContact O-CA 3.45Å; Q177-S259 VanDerWaalsContact OE1-N 3.16Å; P180-S259 CarbonylContact C-O 3.6Å; P180-S259 WeakPolarHBondContact CA-O 3.33Å; L181-S259 PolarHBondContact N-O 3.33Å
260I88.4Confident87.9Confident4 Ų453.2 Ų53.22%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-128.5149.5-177.269.4172.8000112.1V50 I51 V53 C146 L181V50-I260 WeakPolarHBondContact CA-O 3.4Å; I51-I260 HydrophobicContact CD1-CD1 3.95Å; I51-I260 HydrophobicContact CD1-CG1 3.98Å; I51-I260 HydrophobicContact CG1-CD1 3.97Å; I51-I260 HydrophobicContact CG1-CG1 3.42Å; I51-I260 VanDerWaalsContact CG1-CG1 3.42Å; I51-I260 PolarHBondContact N-O 2.64Å; I51-I260 PolarHBondContact O-N 3.46Å; V53-I260 HydrophobicContact CB-CD1 4.39Å; V53-I260 HydrophobicContact CG2-CD1 3.55Å; V53-I260 HydrophobicContact CG2-CG1 3.96Å; C146-I260 HydrophobicContact CB-CD1 4.14Å; C146-I260 HydrophobicContact CB-CG2 4.39Å; L181-I260 HydrophobicContact CB-CG2 4.21Å; L181-I260 CarbonylContact O-C 3.55Å; L181-I260 WeakPolarHBondContact O-CA 3.44Å
261V85.1Confident87.5Confident27 Ų2752.7 Ų52.716%0.16428%0.278CS..EExtended strand (participates in β ladder)trans-89.7114.8163.5-174.90000107.5P180 L181 C183P180-V261 HydrophobicContact CB-CG2 3.74Å; P180-V261 HydrophobicContact CG-CG2 3.69Å; L181-V261 PolarHBondContact O-N 3.22Å; C183-V261 PolarHBondContact N-O 2.95Å; C183-V261 PolarHBondContact SG-O 3.31Å
262P81.5Confident87.2Confident10 Ų1060.2 Ų60.27%0.06531%0.306CS..  trans-60.3150.8179.2-16.927.2000111.4R49 I51 S266 R267R49-P262 WeakPolarHBondContact O-CD 2.99Å; I51-P262 HydrophobicContact CD1-CG 3.89Å; I51-P262 HydrophobicContact CG1-CG 3.94Å; I51-P262 HydrophobicContact CG2-CG 4.11Å; P262-S266 WeakPolarHBondContact CB-OG 3.25Å; P262-R267 HydrophobicContact CB-CG 4.32Å; P262-R267 PolarHBondContact O-NH1 2.97Å
263N82.1Confident87Confident71 Ų7163.2 Ų63.238%0.3832%0.321SS..  trans-64.3164.4175.565.215.4000112.8W265 S266 R267N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.14Å; N263-W265 PolarHBondContact OD1-N 2.93Å; N263-S266 PolarHBondContact N-OG 3.46Å; N263-S266 PolarHBondContact O-N 3.04Å; N263-S266 PolarHBondContact O-OG 3.42Å; N263-S266 WeakPolarHBondContact OD1-CB 3.21Å; N263-S266 PolarHBondContact OD1-N 3.42Å; N263-S266 PolarHBondContact OD1-OG 3Å; N263-R267 WeakPolarHBondContact O-CG 3.09Å; N263-R267 PolarHBondContact O-N 2.87Å; N263-R267 VanDerWaalsContact O-N 3.14Å
264A81.3Confident86.9Confident65 Ų6565.1 Ų65.154%0.53733%0.33SS..Hα-helixtrans-56.2-33.9-179.800000113.5L268A264-L268 WeakPolarHBondContact O-CB 3.49Å; A264-L268 PolarHBondContact O-N 2.86Å
265W82.8Confident87Confident160 Ų16066 Ų6661%0.60633%0.328SS*.Hα-helixtrans-71.7-42.6-178.3-174.3-124.7000113.4N263 R267 L268 K269N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.14Å; N263-W265 PolarHBondContact OD1-N 2.93Å; W265-R267 VanDerWaalsContact C-N 3.34Å; W265-L268 HydrophobicContact CE3-CD2 3.91Å; W265-L268 HydrophobicContact CZ3-CD2 3.73Å; W265-L268 PolarHBondContact O-N 3.06Å; W265-K269 WeakPolarHBondContact O-CG 3.2Å; W265-K269 PolarHBondContact O-N 2.98Å
266S80.9Confident87.2Confident36 Ų3664.8 Ų64.825%0.25232%0.324SS..Hα-helixtrans-65-39.5174.357.90000111.1P262 N263 K269 L270P262-S266 WeakPolarHBondContact CB-OG 3.25Å; N263-S266 PolarHBondContact N-OG 3.46Å; N263-S266 PolarHBondContact O-N 3.04Å; N263-S266 PolarHBondContact O-OG 3.42Å; N263-S266 WeakPolarHBondContact OD1-CB 3.21Å; N263-S266 PolarHBondContact OD1-N 3.42Å; N263-S266 PolarHBondContact OD1-OG 3Å; S266-K269 PolarHBondContact O-N 3.26Å; S266-L270 PolarHBondContact O-N 3.47Å
267R82.9Confident87.3Confident84 Ų8466 Ų6632%0.31734%0.338SS..Hα-helixtrans-59.5-48.6171.3-66.9-171.2-60.9-112.69.4111.6P262 N263 W265 K269 L270 V271P262-R267 HydrophobicContact CB-CG 4.32Å; P262-R267 PolarHBondContact O-NH1 2.97Å; N263-R267 WeakPolarHBondContact O-CG 3.09Å; N263-R267 PolarHBondContact O-N 2.87Å; N263-R267 VanDerWaalsContact O-N 3.14Å; W265-R267 VanDerWaalsContact C-N 3.34Å; R267-K269 VanDerWaalsContact C-N 3.31Å; R267-K269 PolarHBondContact O-N 3.32Å; R267-L270 PolarHBondContact O-N 3.42Å; R267-V271 WeakPolarHBondContact O-CG2 3.41Å; R267-V271 PolarHBondContact O-N 3.12Å
268L85.7Confident87.4Confident94 Ų9466.2 Ų66.249%0.49233%0.333SS..Hα-helixtrans-60.4-40178.9-176.964.2000112.3A264 W265 L270 V271 W272A264-L268 WeakPolarHBondContact O-CB 3.49Å; A264-L268 PolarHBondContact O-N 2.86Å; W265-L268 HydrophobicContact CE3-CD2 3.91Å; W265-L268 HydrophobicContact CZ3-CD2 3.73Å; W265-L268 PolarHBondContact O-N 3.06Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 2.84Å; L268-V271 PolarHBondContact O-N 3.26Å; L268-W272 VanDerWaalsContact O-CB 3.26Å; L268-W272 WeakPolarHBondContact O-CB 3.16Å; L268-W272 PolarHBondContact O-N 3.2Å
269K87Confident87.6Confident119 Ų11967.6 Ų67.652%0.51734%0.34SS..Hα-helixtrans-58.8-43.6175.7-78.2175.1173.4174.60112.3W265 S266 R267 I273W265-K269 WeakPolarHBondContact O-CG 3.2Å; W265-K269 PolarHBondContact O-N 2.98Å; S266-K269 PolarHBondContact O-N 3.26Å; R267-K269 VanDerWaalsContact C-N 3.31Å; R267-K269 PolarHBondContact O-N 3.32Å; K269-I273 WeakPolarHBondContact O-CD1 3.2Å; K269-I273 VanDerWaalsContact O-CG1 3.31Å; K269-I273 WeakPolarHBondContact O-CG1 3.22Å; K269-I273 PolarHBondContact O-N 3.03Å
270L83.6Confident87.8Confident69 Ų6970.5 Ų70.536%0.36135%0.352SS..Hα-helixtrans-67.9-48.8178.8-69172.1000111.4S266 R267 L268 W272 I273 E274S266-L270 PolarHBondContact O-N 3.47Å; R267-L270 PolarHBondContact O-N 3.42Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 2.84Å; L270-W272 PolarHBondContact O-N 3.41Å; L270-I273 PolarHBondContact O-N 3.42Å; L270-E274 PolarHBondContact O-N 3.23Å
271V87.1Confident88.2Confident35 Ų3573.8 Ų73.821%0.21237%0.372CS..Hα-helixtrans-55.5-39.9176.3173.50000111.1L46 R267 L268 E274 Y275L46-V271 HydrophobicContact CD1-CG2 3.67Å; L46-V271 HydrophobicContact CD2-CG2 3.46Å; L46-V271 VanDerWaalsContact CD2-CG2 3.46Å; L46-V271 HydrophobicContact CG-CG2 4.16Å; R267-V271 WeakPolarHBondContact O-CG2 3.41Å; R267-V271 PolarHBondContact O-N 3.12Å; L268-V271 PolarHBondContact O-N 3.26Å; V271-E274 PolarHBondContact O-N 2.82Å; V271-Y275 WeakPolarHBondContact O-CB 3.5Å; V271-Y275 PolarHBondContact O-N 3.12Å
272W89.8Confident88.6Confident157 Ų15774.6 Ų74.660%0.59537%0.373SS*.Hα-helixtrans-64.4-41179.1-176-106000112.9L268 L270 Y275 L276L268-W272 VanDerWaalsContact O-CB 3.26Å; L268-W272 WeakPolarHBondContact O-CB 3.16Å; L268-W272 PolarHBondContact O-N 3.2Å; L270-W272 PolarHBondContact O-N 3.41Å; W272-Y275 HydrophobicContact CZ3-CD1 4.41Å; W272-L276 WeakPolarHBondContact O-CB 3.3Å; W272-L276 PolarHBondContact O-N 3Å
273I90.6Very high89.3Confident113 Ų11378 Ų7858%0.57939%0.39SS*.Hα-helixtrans-66.1-45.8178.2-66.5161.9000110.3K269 L270 L276 A277K269-I273 WeakPolarHBondContact O-CD1 3.2Å; K269-I273 VanDerWaalsContact O-CG1 3.31Å; K269-I273 WeakPolarHBondContact O-CG1 3.22Å; K269-I273 PolarHBondContact O-N 3.03Å; L270-I273 PolarHBondContact O-N 3.42Å; I273-L276 PolarHBondContact O-N 2.85Å; I273-A277 PolarHBondContact O-N 3.42Å; I273-A277 VanDerWaalsContact O-N 3.08Å
274E90Very high90Very high45 Ų4580.8 Ų80.821%0.2140%0.399CS..Hα-helixtrans-62.7-45.4177-70.2167.7-170.300111.1I40 R49 L270 V271 L276 A277 F278I40-E274 HydrophobicContact CD1-CB 4.04Å; I40-E274 HydrophobicContact CG1-CB 4.32Å; R49-E274 IonicContact NH1-OE1 3.34Å; R49-E274 PolarHBondContact NH1-OE1 3.5Å; L270-E274 PolarHBondContact O-N 3.23Å; V271-E274 PolarHBondContact O-N 2.82Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 3.43Å; E274-A277 PolarHBondContact O-N 3.2Å; E274-F278 WeakPolarHBondContact O-CD2 3.32Å; E274-F278 PolarHBondContact O-N 2.84Å
275Y92.6Very high90.7Very high47 Ų4781.1 Ų81.118%0.18439%0.391CS..Hα-helixtrans-58.9-45.3177.6179.1-95.8000111.8I33 P36 I40 V271 W272 A277 F278 L279I33-Y275 PolarHBondContact O-OH 2.85Å; P36-Y275 HydrophobicContact CB-CD2 3.83Å; P36-Y275 HydrophobicContact CB-CE2 3.79Å; P36-Y275 HydrophobicContact CG-CE2 4.47Å; I40-Y275 VanDerWaalsContact CD1-CA 3.44Å; I40-Y275 HydrophobicContact CD1-CD2 4.32Å; V271-Y275 WeakPolarHBondContact O-CB 3.5Å; V271-Y275 PolarHBondContact O-N 3.12Å; W272-Y275 HydrophobicContact CZ3-CD1 4.41Å; Y275-A277 PolarHBondContact O-N 2.96Å; Y275-F278 PolarHBondContact O-N 3.46Å; Y275-L279 HydrophobicContact CE1-CD2 4.16Å; Y275-L279 WeakPolarHBondContact O-CB 3.31Å; Y275-L279 PolarHBondContact O-N 2.91Å
276L94.6Very high91.3Very high80 Ų8074.4 Ų74.442%0.41937%0.367SS..Hα-helixtrans-64-40.2178.2-17464.6000112.1W272 I273 E274 L279 I280W272-L276 WeakPolarHBondContact O-CB 3.3Å; W272-L276 PolarHBondContact O-N 3Å; I273-L276 PolarHBondContact O-N 2.85Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 3.43Å; L276-L279 HydrophobicContact CD1-CD2 4.29Å; L276-L279 PolarHBondContact O-N 2.9Å; L276-I280 HydrophobicContact CD1-CD1 4.49Å; L276-I280 HydrophobicContact CG-CD1 4.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.3Å
277A94.1Very high91.9Very high54 Ų5478.8 Ų78.845%0.44638%0.381SS..Hα-helixtrans-62.8-4617800000111.9I273 E274 Y275 T281I273-A277 PolarHBondContact O-N 3.42Å; I273-A277 VanDerWaalsContact O-N 3.08Å; E274-A277 PolarHBondContact O-N 3.2Å; Y275-A277 PolarHBondContact O-N 2.96Å; A277-T281 PolarHBondContact O-N 3.47Å; A277-T281 PolarHBondContact O-OG1 3.42Å
278F93.3Very high92.5Very high76 Ų7679.2 Ų79.233%0.33339%0.39SS..Hα-helixtrans-68-41.6175.1-72.4-62.3000111.7P36 V39 I40 E274 Y275 I280 T281 F282P36-F278 HydrophobicContact CB-CB 3.71Å; P36-F278 HydrophobicContact CG-CB 4.33Å; V39-F278 HydrophobicContact CG1-CD1 4.08Å; V39-F278 HydrophobicContact CG1-CD2 4.35Å; V39-F278 HydrophobicContact CG1-CE1 3.7Å; V39-F278 HydrophobicContact CG1-CE2 4Å; V39-F278 HydrophobicContact CG1-CG 4.4Å; V39-F278 HydrophobicContact CG1-CZ 3.66Å; I40-F278 HydrophobicContact CD1-CD2 4.22Å; I40-F278 HydrophobicContact CG1-CD2 3.88Å; I40-F278 HydrophobicContact CG1-CE2 4.08Å; E274-F278 WeakPolarHBondContact O-CD2 3.32Å; E274-F278 PolarHBondContact O-N 2.84Å; Y275-F278 PolarHBondContact O-N 3.46Å; F278-I280 VanDerWaalsContact C-N 3.32Å; F278-I280 PolarHBondContact O-N 3.33Å; F278-T281 WeakPolarHBondContact O-CA 3.47Å; F278-T281 WeakPolarHBondContact O-CB 3.22Å; F278-T281 PolarHBondContact O-N 2.85Å; F278-F282 HydrophobicContact CB-CD2 4.4Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.28Å; F278-F282 PolarHBondContact O-N 3.2Å
279L95.6Very high92.9Very high33 Ų3378.1 Ų78.117%0.17338%0.383CS..Hα-helixtrans-54-47.4177.6-17871.1000111.6I32 P36 Y275 L276 T281 F282 I283I32-L279 HydrophobicContact CG2-CD1 3.69Å; I32-L279 VanDerWaalsContact O-CD1 3.31Å; I32-L279 WeakPolarHBondContact O-CD1 3.45Å; P36-L279 HydrophobicContact CG-CB 4.4Å; P36-L279 HydrophobicContact CG-CD1 4.41Å; Y275-L279 HydrophobicContact CE1-CD2 4.16Å; Y275-L279 WeakPolarHBondContact O-CB 3.31Å; Y275-L279 PolarHBondContact O-N 2.91Å; L276-L279 HydrophobicContact CD1-CD2 4.29Å; L276-L279 PolarHBondContact O-N 2.9Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.9Å; L279-F282 PolarHBondContact O-N 3.22Å; L279-I283 HydrophobicContact CD1-CD1 4.5Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.89Å
280I95.9Very high93.1Very high102 Ų10276.5 Ų76.552%0.52337%0.374SS..Hα-helixtrans-61.8-43.1177.9-67.3165.4000110.9L276 F278 I283 F284L276-I280 HydrophobicContact CD1-CD1 4.49Å; L276-I280 HydrophobicContact CG-CD1 4.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.27Å; L276-I280 PolarHBondContact O-N 3.3Å; F278-I280 VanDerWaalsContact C-N 3.32Å; F278-I280 PolarHBondContact O-N 3.33Å; I280-I283 PolarHBondContact O-N 3.38Å; I280-F284 PolarHBondContact O-N 3.06Å
281T95Very high93.5Very high73 Ų7378 Ų7845%0.44838%0.382SS..Hα-helixtrans-60.9-46.9178-56.40000111A277 F278 L279 F284 I285A277-T281 PolarHBondContact O-N 3.47Å; A277-T281 PolarHBondContact O-OG1 3.42Å; F278-T281 WeakPolarHBondContact O-CA 3.47Å; F278-T281 WeakPolarHBondContact O-CB 3.22Å; F278-T281 PolarHBondContact O-N 2.85Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-T281 PolarHBondContact O-N 2.9Å; T281-F284 PolarHBondContact O-N 2.7Å; T281-I285 HydrophobicContact CG2-CD1 3.9Å; T281-I285 VanDerWaalsContact O-CG1 3.32Å; T281-I285 WeakPolarHBondContact O-CG1 3.3Å; T281-I285 PolarHBondContact O-N 2.88Å
282F95.1Very high93.8Very high43 Ų4382.4 Ų82.419%0.18940%0.399CS..Hα-helixtrans-67.4-37177.1-82.5-80.6000112.6A35 P36 V39 F278 L279 F284 I285 M286A35-F282 HydrophobicContact CB-CD1 3.86Å; A35-F282 HydrophobicContact CB-CD2 4.45Å; A35-F282 HydrophobicContact CB-CE1 3.43Å; A35-F282 VanDerWaalsContact CB-CE1 3.43Å; A35-F282 HydrophobicContact CB-CE2 4.08Å; A35-F282 HydrophobicContact CB-CG 4.36Å; A35-F282 HydrophobicContact CB-CZ 3.55Å; P36-F282 HydrophobicContact CB-CD2 4.48Å; P36-F282 HydrophobicContact CG-CB 4.4Å; P36-F282 HydrophobicContact CG-CD2 3.7Å; P36-F282 HydrophobicContact CG-CE2 4.33Å; P36-F282 HydrophobicContact CG-CG 4.26Å; V39-F282 HydrophobicContact CG2-CE2 4.15Å; V39-F282 HydrophobicContact CG2-CZ 4.16Å; F278-F282 HydrophobicContact CB-CD2 4.4Å; F278-F282 VanDerWaalsContact O-CD2 3.26Å; F278-F282 WeakPolarHBondContact O-CD2 3.28Å; F278-F282 PolarHBondContact O-N 3.2Å; L279-F282 PolarHBondContact O-N 3.22Å; F282-F284 VanDerWaalsContact C-N 3.3Å; F282-F284 PolarHBondContact O-N 3.47Å; F282-I285 PolarHBondContact O-N 3.38Å; F282-M286 WeakPolarHBondContact O-CB 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.2Å; F282-M286 PolarHBondContact O-N 2.91Å
283I96.1Very high93.9Very high81 Ų8175.7 Ų75.742%0.41538%0.375SS..Hα-helixtrans-58-45.3172.1-72.7167000110.3I32 L279 I280 K287I32-I283 HydrophobicContact CG2-CD1 4.45Å; I32-I283 HydrophobicContact CG2-CG1 3.62Å; L279-I283 HydrophobicContact CD1-CD1 4.5Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.25Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.89Å; I280-I283 PolarHBondContact O-N 3.38Å; I283-K287 WeakPolarHBondContact O-CB 3.15Å; I283-K287 PolarHBondContact O-N 3.22Å
284F96.4Very high94Very high130 Ų13071.3 Ų71.357%0.5735%0.351SS*.Hα-helixtrans-64.1-49.6179.3-179-100.2000112I280 T281 F282 M286 K287 L288I280-F284 PolarHBondContact O-N 3.06Å; T281-F284 PolarHBondContact O-N 2.7Å; F282-F284 VanDerWaalsContact C-N 3.3Å; F282-F284 PolarHBondContact O-N 3.47Å; F284-M286 PolarHBondContact O-N 3.47Å; F284-K287 WeakPolarHBondContact O-CB 3.49Å; F284-K287 PolarHBondContact O-N 3.28Å; F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CE1-CD1 3.49Å; F284-L288 VanDerWaalsContact CE1-CD1 3.49Å; F284-L288 HydrophobicContact CE1-CG 4.31Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CG 4.42Å; F284-L288 PolarHBondContact O-N 3.45Å
285I95.9Very high93.9Very high73 Ų7371.1 Ų71.137%0.37436%0.361SS..Hα-helixtrans-59.5-47.7178.1-67.4166.9000110.6T281 F282 K287 L288 I289T281-I285 HydrophobicContact CG2-CD1 3.9Å; T281-I285 VanDerWaalsContact O-CG1 3.32Å; T281-I285 WeakPolarHBondContact O-CG1 3.3Å; T281-I285 PolarHBondContact O-N 2.88Å; F282-I285 PolarHBondContact O-N 3.38Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.2Å; I285-L288 WeakPolarHBondContact O-CB 3.46Å; I285-L288 PolarHBondContact O-N 3.26Å; I285-L288 VanDerWaalsContact O-N 3.15Å; I285-I289 HydrophobicContact CG2-CD1 3.85Å; I285-I289 WeakPolarHBondContact O-CG1 3.27Å; I285-I289 PolarHBondContact O-N 3.24Å
286M94.8Very high93.7Very high18 Ų1873.3 Ų73.39%0.08938%0.376CS..Hα-helixtrans-70.4-29.2-178.5-65.7-58.8-6900112.1T28 V31 I32 F282 F284 I289 R290T28-M286 HydrophobicContact CG2-CE 3.33Å; V31-M286 HydrophobicContact CB-CE 4.34Å; V31-M286 HydrophobicContact CG1-CE 4.33Å; V31-M286 HydrophobicContact CG1-SD 4.17Å; I32-M286 HydrophobicContact CD1-CB 3.76Å; I32-M286 HydrophobicContact CD1-CG 4.21Å; I32-M286 HydrophobicContact CG1-CB 3.77Å; I32-M286 HydrophobicContact CG1-CG 3.65Å; F282-M286 WeakPolarHBondContact O-CB 3.3Å; F282-M286 WeakPolarHBondContact O-CG 3.2Å; F282-M286 PolarHBondContact O-N 2.91Å; F284-M286 PolarHBondContact O-N 3.47Å; M286-I289 PolarHBondContact O-N 3.25Å; M286-I289 HydrophobicContact SD-CD1 3.79Å; M286-R290 VanDerWaalsContact O-CB 3.3Å; M286-R290 WeakPolarHBondContact O-CB 3.47Å; M286-R290 WeakPolarHBondContact O-CG 3.33Å; M286-R290 PolarHBondContact O-N 3.37Å
287K93.6Very high93.3Very high128 Ų12877.7 Ų77.756%0.55739%0.387SS*.Hα-helixtrans-64-42.6169.6-174.6177.8-179.7179.60111.4I283 F284 I285 R290 N291I283-K287 WeakPolarHBondContact O-CB 3.15Å; I283-K287 PolarHBondContact O-N 3.22Å; F284-K287 WeakPolarHBondContact O-CB 3.49Å; F284-K287 PolarHBondContact O-N 3.28Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3.2Å; K287-R290 PolarHBondContact O-N 3.23Å; K287-N291 WeakPolarHBondContact O-CB 3.46Å; K287-N291 PolarHBondContact O-N 2.91Å; K287-N291 PolarHBondContact O-OD1 3.02Å
288L94.7Very high93Very high94 Ų9480.4 Ų80.449%0.49239%0.394SS..Hα-helixtrans-61.6-46.6174.7-70.1171.3000111.6F284 I285 N291 F292F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CE1-CD1 3.49Å; F284-L288 VanDerWaalsContact CE1-CD1 3.49Å; F284-L288 HydrophobicContact CE1-CG 4.31Å; F284-L288 HydrophobicContact CZ-CD1 3.94Å; F284-L288 HydrophobicContact CZ-CG 4.42Å; F284-L288 PolarHBondContact O-N 3.45Å; I285-L288 WeakPolarHBondContact O-CB 3.46Å; I285-L288 PolarHBondContact O-N 3.26Å; I285-L288 VanDerWaalsContact O-N 3.15Å; L288-N291 PolarHBondContact O-N 3.35Å; L288-F292 PolarHBondContact O-N 3.49Å
289I94.2Very high92.7Very high71 Ų7178 Ų7836%0.36438%0.384SS..Hα-helixtrans-62.9-46.2178.4-66.2166.9000110.8F24 I285 M286 N291 F292 V293F24-I289 HydrophobicContact CZ-CG2 4.28Å; I285-I289 HydrophobicContact CG2-CD1 3.85Å; I285-I289 WeakPolarHBondContact O-CG1 3.27Å; I285-I289 PolarHBondContact O-N 3.24Å; M286-I289 PolarHBondContact O-N 3.25Å; M286-I289 HydrophobicContact SD-CD1 3.79Å; I289-N291 VanDerWaalsContact C-N 3.35Å; I289-N291 PolarHBondContact O-N 3.46Å; I289-F292 WeakPolarHBondContact O-CB 3.38Å; I289-F292 PolarHBondContact O-N 3.17Å; I289-V293 HydrophobicContact CG2-CG2 4.29Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.98Å
290R92.5Very high92.2Very high85 Ų8581.8 Ų81.832%0.32141%0.409SS..Hα-helixtrans-61.3-43.1176.9-74.3177.771.1-132.9-2.4111.6F24 T28 M286 K287 F292 V293 Y294F24-R290 HydrophobicContact CE1-CG 4.17Å; T28-R290 HydrophobicContact CG2-CG 4.1Å; M286-R290 VanDerWaalsContact O-CB 3.3Å; M286-R290 WeakPolarHBondContact O-CB 3.47Å; M286-R290 WeakPolarHBondContact O-CG 3.33Å; M286-R290 PolarHBondContact O-N 3.37Å; K287-R290 PolarHBondContact O-N 3.23Å; R290-F292 VanDerWaalsContact C-N 3.29Å; R290-F292 PolarHBondContact O-N 2.91Å; R290-V293 PolarHBondContact O-N 3.21Å; R290-Y294 HydrophobicContact CB-CD2 4.08Å; R290-Y294 HydrophobicContact CB-CE2 4.08Å; R290-Y294 HydrophobicContact CG-CE2 4.19Å; R290-Y294 WeakPolarHBondContact O-CB 3.5Å; R290-Y294 WeakPolarHBondContact O-CD2 3.49Å; R290-Y294 PolarHBondContact O-N 3.25Å
291N90.9Very high91.9Very high99 Ų9978.3 Ų78.353%0.52939%0.393SS..Hα-helixtrans-60.1-41.1175.9-75.5-6.4000111.6K287 L288 I289 G295K287-N291 WeakPolarHBondContact O-CB 3.46Å; K287-N291 PolarHBondContact O-N 2.91Å; K287-N291 PolarHBondContact O-OD1 3.02Å; L288-N291 PolarHBondContact O-N 3.35Å; I289-N291 VanDerWaalsContact C-N 3.35Å; I289-N291 PolarHBondContact O-N 3.46Å; N291-G295 WeakPolarHBondContact O-CA 3.27Å; N291-G295 PolarHBondContact O-N 3.15Å
292F93.1Very high91.5Very high128 Ų12882.9 Ų82.956%0.56140%0.402SS*.Hα-helixtrans-64.9-47.7175.5-179.1-95.6000112L288 I289 R290 N296 L298L288-F292 PolarHBondContact O-N 3.49Å; I289-F292 WeakPolarHBondContact O-CB 3.38Å; I289-F292 PolarHBondContact O-N 3.17Å; R290-F292 VanDerWaalsContact C-N 3.29Å; R290-F292 PolarHBondContact O-N 2.91Å; F292-N296 WeakPolarHBondContact CD2-ND2 3.49Å; F292-N296 WeakPolarHBondContact CE2-ND2 3.44Å; F292-N296 WeakPolarHBondContact CZ-ND2 3.34Å; F292-N296 VanDerWaalsContact O-CB 3.27Å; F292-N296 WeakPolarHBondContact O-CB 3.5Å; F292-N296 PolarHBondContact O-N 3.08Å; F292-N296 PolarHBondContact O-ND2 2.94Å; F292-N296 VanDerWaalsContact O-ND2 3.12Å; F292-L298 HydrophobicContact CD1-CD1 4.21Å; F292-L298 HydrophobicContact CE1-CD1 3.89Å
293V93.4Very high91Very high16 Ų1686.5 Ų86.510%0.09741%0.414CS..Hα-helixtrans-65.4-50.3-177.1170.60000112F24 I289 R290 R297 L298 L299F24-V293 HydrophobicContact CD1-CG1 4.32Å; F24-V293 HydrophobicContact CE1-CB 4.15Å; F24-V293 HydrophobicContact CE1-CG1 3.85Å; F24-V293 HydrophobicContact CE1-CG2 4.31Å; F24-V293 HydrophobicContact CZ-CB 4.19Å; F24-V293 HydrophobicContact CZ-CG1 4.13Å; F24-V293 HydrophobicContact CZ-CG2 3.84Å; I289-V293 HydrophobicContact CG2-CG2 4.29Å; I289-V293 VanDerWaalsContact O-CG2 3.3Å; I289-V293 WeakPolarHBondContact O-CG2 3.43Å; I289-V293 PolarHBondContact O-N 2.98Å; R290-V293 PolarHBondContact O-N 3.21Å; V293-R297 PolarHBondContact O-N 2.97Å; V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG2-CD1 4.34Å; V293-L298 PolarHBondContact O-N 3.14Å; V293-L299 HydrophobicContact CG1-CB 4.45Å; V293-L299 HydrophobicContact CG1-CD1 3.51Å; V293-L299 HydrophobicContact CG1-CG 3.8Å
294Y91.4Very high90.4Very high21 Ų2186.1 Ų86.18%0.08242%0.416CS..Hα-helixtrans-77.6-33.3-179.6-62.9-59.8000112.4Y13 A21 F24 R290 R297 T301Y13-Y294 VanDerWaalsContact CE1-O 3.27Å; Y13-Y294 WeakPolarHBondContact CE1-O 3.4Å; A21-Y294 HydrophobicContact CB-CE1 4.49Å; A21-Y294 PolarHBondContact O-OH 3.1Å; F24-Y294 HydrophobicContact CD1-CE2 4.49Å; F24-Y294 HydrophobicContact CE1-CE2 4.3Å; R290-Y294 HydrophobicContact CB-CD2 4.08Å; R290-Y294 HydrophobicContact CB-CE2 4.08Å; R290-Y294 HydrophobicContact CG-CE2 4.19Å; R290-Y294 WeakPolarHBondContact O-CB 3.5Å; R290-Y294 WeakPolarHBondContact O-CD2 3.49Å; R290-Y294 PolarHBondContact O-N 3.25Å; Y294-R297 PolarHBondContact O-N 3.2Å; Y294-T301 HydrophobicContact CD1-CG2 3.7Å; Y294-T301 HydrophobicContact CE1-CG2 3.71Å
295G87.7Confident89.8Confident41 Ų4183.2 Ų83.242%0.42341%0.409SS..Hα-helixtrans-62.1-45.2174.900000112.3N291 R297N291-G295 WeakPolarHBondContact O-CA 3.27Å; N291-G295 PolarHBondContact O-N 3.15Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 3.02Å
296N88.7Confident89Confident93 Ų9382.5 Ų82.550%0.49741%0.407SS..THydrogen-bonded Turntrans-84.13.5176.9-66.8-42.4000114.1F292 L298F292-N296 WeakPolarHBondContact CD2-ND2 3.49Å; F292-N296 WeakPolarHBondContact CE2-ND2 3.44Å; F292-N296 WeakPolarHBondContact CZ-ND2 3.34Å; F292-N296 VanDerWaalsContact O-CB 3.27Å; F292-N296 WeakPolarHBondContact O-CB 3.5Å; F292-N296 PolarHBondContact O-N 3.08Å; F292-N296 PolarHBondContact O-ND2 2.94Å; F292-N296 VanDerWaalsContact O-ND2 3.12Å; N296-L298 HydrophobicContact CB-CD2 4.43Å; N296-L298 HydrophobicContact CB-CG 4.14Å; N296-L298 PolarHBondContact O-N 3.24Å
297R86.1Confident88Confident172 Ų17288 Ų8865%0.64944%0.437SS*.THydrogen-bonded Turntrans53.836.6-178.7-55.6-177.2178.4-144.52.1114V293 Y294 G295 L299V293-R297 PolarHBondContact O-N 2.97Å; Y294-R297 PolarHBondContact O-N 3.2Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 3.02Å; R297-L299 PolarHBondContact O-N 2.71Å
298L87.9Confident86.5Confident112 Ų11290.8 Ų90.859%0.58645%0.452SS*.  trans-65.3-21.1175.6-60.8180000112F292 V293 N296F292-L298 HydrophobicContact CD1-CD1 4.21Å; F292-L298 HydrophobicContact CE1-CD1 3.89Å; V293-L298 HydrophobicContact CG1-CB 4.23Å; V293-L298 HydrophobicContact CG2-CD1 4.34Å; V293-L298 PolarHBondContact O-N 3.14Å; N296-L298 HydrophobicContact CB-CD2 4.43Å; N296-L298 HydrophobicContact CB-CG 4.14Å; N296-L298 PolarHBondContact O-N 3.24Å
299L88.3Confident86.1Confident24 Ų2490.6 Ų90.613%0.12645%0.45CS..SBendtrans-123.4143.5175.4-61.6172.1000110.5L20 A21 F24 V293 R297 T301L20-L299 HydrophobicContact CD2-CD2 3.46Å; L20-L299 VanDerWaalsContact CD2-CD2 3.46Å; L20-L299 HydrophobicContact CG-CD2 4.01Å; A21-L299 HydrophobicContact CB-CB 4.08Å; F24-L299 HydrophobicContact CB-CD1 3.54Å; F24-L299 HydrophobicContact CD1-CD1 3.5Å; F24-L299 VanDerWaalsContact CD1-CD1 3.5Å; F24-L299 HydrophobicContact CD2-CD1 4.23Å; F24-L299 HydrophobicContact CE1-CD1 4.25Å; F24-L299 HydrophobicContact CG-CD1 3.48Å; F24-L299 VanDerWaalsContact CG-CD1 3.48Å; V293-L299 HydrophobicContact CG1-CB 4.45Å; V293-L299 HydrophobicContact CG1-CD1 3.51Å; V293-L299 HydrophobicContact CG1-CG 3.8Å; R297-L299 PolarHBondContact O-N 2.71Å; L299-T301 PolarHBondContact O-N 3.18Å
300T85.4Confident85.6Confident114 Ų11491.6 Ų91.670%0.69946%0.455SS*.  trans-67.5113.6-179.746.80000110.9
301T88.4Confident85.2Confident29 Ų2992 Ų9218%0.17846%0.462CS..  trans-141.8149.8178.351.50000110S14 A15 A21 Y294 L299S14-T301 WeakPolarHBondContact O-CA 3.06Å; A15-T301 HydrophobicContact CB-CG2 4.4Å; A21-T301 HydrophobicContact CB-CG2 3.94Å; Y294-T301 HydrophobicContact CD1-CG2 3.7Å; Y294-T301 HydrophobicContact CE1-CG2 3.71Å; L299-T301 PolarHBondContact O-N 3.18Å
302W86.3Confident84.9Confident169 Ų16991.6 Ų91.664%0.6446%0.458SS*.EExtended strand (participates in β ladder)trans-89.2121.8169.91.490.4000108.5S14S14-W302 VanDerWaalsContact CB-CD1 3.47Å; S14-W302 PolarHBondContact N-O 3.18Å; S14-W302 PolarHBondContact O-N 2.87Å; S14-W302 PolarHBondContact O-NE1 3.13Å
303R84.4Confident84.4Confident118 Ų11889.3 Ų89.345%0.44545%0.452SS..EExtended strand (participates in β ladder)trans-95.3119.4177.1176.6179.3165.3175.9-2.4109.2I12 Y13I12-R303 WeakPolarHBondContact O-CA 3.36Å; Y13-R303 HydrophobicContact CD1-CB 4.47Å; Y13-R303 HydrophobicContact CE1-CB 4.4Å; Y13-R303 HydrophobicContact CE1-CG 4.45Å
304T84.5Confident83.8Confident73 Ų7394.2 Ų94.245%0.44848%0.475SS..EExtended strand (participates in β ladder)trans-105.8136.6166.754.80000109.1I12I12-T304 WeakPolarHBondContact CB-OG1 3.47Å; I12-T304 PolarHBondContact N-O 3.27Å; I12-T304 PolarHBondContact O-N 3.44Å
305V82.9Confident83.3Confident70 Ų7099.4 Ų99.442%0.42450%0.503SS..EExtended strand (participates in β ladder)trans-99.1115.8174-177.30000106.3V9 L11 N307V9-V305 HydrophobicContact CG1-CG1 3.37Å; L11-V305 HydrophobicContact CD2-CG1 4.43Å; L11-V305 HydrophobicContact CD2-CG2 3.92Å; V305-N307 WeakPolarHBondContact CG1-OD1 3.34Å; V305-N307 PolarHBondContact O-N 3.17Å
306V79.4Confident82.9Confident57 Ų57103.9 Ų103.935%0.34551%0.51SS..EExtended strand (participates in β ladder)trans-89.6106.5171.9-176.50000106.7Q10 I12 E308Q10-V306 PolarHBondContact O-N 3.21Å; I12-V306 HydrophobicContact CD1-CG2 3.47Å; I12-V306 VanDerWaalsContact CD1-CG2 3.47Å; I12-V306 HydrophobicContact CG1-CG2 4.19Å; V306-E308 PolarHBondContact O-N 2.95Å
307N74.5Confident82.4Confident133 Ų133104.8 Ų104.871%0.71151%0.511SS*.  trans-85.6100.3167.6-66.2-21.1000106.6V305V305-N307 WeakPolarHBondContact CG1-OD1 3.34Å; V305-N307 PolarHBondContact O-N 3.17Å
308E61.3Low82.1Confident187 Ų18798.7 Ų98.787%0.87450%0.498SS*.  trans-68.60153.2-73.9-176.7172.900110.2K7 V306K7-E308 PolarHBondContact NZ-O 2.63Å; K7-E308 PolarHBondContact NZ-OXT 3.48Å; V306-E308 PolarHBondContact O-N 2.95Å

Retrieved 308 of 308 residues in 189.2 ms (Link to these results)