A0A061ACS5_CAEEL Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACS5, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 422 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
1M66.9Low73.8Confident109 Ų10976 Ų7654%0.53737%0.372SS..  0-54.90-70.3-172.8-105.400112.9N3 S4 V5 I51M1-N3 PolarHBondContact O-N 3.27Å; M1-S4 WeakPolarHBondContact O-CB 3.26Å; M1-S4 PolarHBondContact O-N 3.46Å; M1-V5 WeakPolarHBondContact O-CG2 3.27Å; M1-V5 PolarHBondContact O-N 3.16Å; M1-I51 HydrophobicContact CB-CD1 4.22Å; M1-I51 HydrophobicContact SD-CD1 3.88Å
2R70.7Confident74.3Confident168 Ų16870.2 Ų70.263%0.63434%0.343SS*.Hα-helixtrans-44-53.1178.9-174.6178.1178.3-164.1-1.2115.7S4 V5 L6 V39R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 2.82Å; R2-V5 PolarHBondContact O-N 3.45Å; R2-L6 HydrophobicContact CG-CD1 4.27Å; R2-L6 WeakPolarHBondContact O-CG 3.43Å; R2-L6 PolarHBondContact O-N 3.28Å; R2-V39 HydrophobicContact CG-CB 4.2Å; R2-V39 HydrophobicContact CG-CG1 4.17Å
3N72.1Confident74.4Confident131 Ų13169.5 Ų69.570%0.70134%0.342SS*.Hα-helixtrans-64.8-30.8-179.3-67.7-11.3000113.4M1 A7M1-N3 PolarHBondContact O-N 3.27Å; N3-A7 WeakPolarHBondContact O-CB 3.31Å; N3-A7 PolarHBondContact O-N 3.49Å
4S71.9Confident74.7Confident20 Ų2076.4 Ų76.414%0.1437%0.37CS..Hα-helixtrans-72.7-41.7176.7169.70000111.1M1 R2 L6 A7 S8 Y88M1-S4 WeakPolarHBondContact O-CB 3.26Å; M1-S4 PolarHBondContact O-N 3.46Å; R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 2.82Å; S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.92Å; S4-A7 PolarHBondContact O-N 2.97Å; S4-S8 PolarHBondContact O-N 2.9Å; S4-Y88 WeakPolarHBondContact OG-CE2 3.25Å
5V74Confident75.2Confident2 Ų274.1 Ų74.11%0.01236%0.358CS..Hα-helixtrans-58.4-48.1172.7179.10000110.7M1 R2 A7 S8 L9 V39 V53 L81 I85M1-V5 WeakPolarHBondContact O-CG2 3.27Å; M1-V5 PolarHBondContact O-N 3.16Å; R2-V5 PolarHBondContact O-N 3.45Å; V5-A7 VanDerWaalsContact C-N 3.32Å; V5-A7 PolarHBondContact O-N 3.04Å; V5-S8 PolarHBondContact O-N 3Å; V5-L9 HydrophobicContact CG1-CD1 3.87Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.49Å; V5-L9 PolarHBondContact O-N 3.21Å; V5-V39 HydrophobicContact CB-CG1 4.25Å; V5-V39 HydrophobicContact CB-CG2 4.2Å; V5-V39 HydrophobicContact CG1-CG1 4.11Å; V5-V39 HydrophobicContact CG1-CG2 3.59Å; V5-V39 HydrophobicContact CG2-CG1 4.4Å; V5-V53 HydrophobicContact CG1-CG1 4.33Å; V5-V53 HydrophobicContact CG1-CG2 3.73Å; V5-L81 HydrophobicContact CG1-CD2 4.07Å; V5-I85 HydrophobicContact CB-CD1 4.01Å; V5-I85 HydrophobicContact CG1-CD1 4.24Å; V5-I85 HydrophobicContact CG2-CD1 3.5Å; V5-I85 VanDerWaalsContact CG2-CD1 3.5Å; V5-I85 HydrophobicContact CG2-CG1 4.07Å
6L74.4Confident75.6Confident47 Ų4772.2 Ų72.225%0.24635%0.346CS..Hα-helixtrans-62.9-36.5177.1-69.1173.1000112.6R2 S4 K10 A37 V39R2-L6 HydrophobicContact CG-CD1 4.27Å; R2-L6 WeakPolarHBondContact O-CG 3.43Å; R2-L6 PolarHBondContact O-N 3.28Å; S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.92Å; L6-K10 WeakPolarHBondContact O-CB 3.24Å; L6-K10 VanDerWaalsContact O-CG 3.25Å; L6-K10 WeakPolarHBondContact O-CG 3.2Å; L6-K10 PolarHBondContact O-N 2.92Å; L6-A37 HydrophobicContact CD2-CB 4.25Å; L6-V39 HydrophobicContact CD2-CG2 3.8Å; L6-V39 HydrophobicContact CG-CG2 4.12Å
7A75.3Confident75.7Confident54 Ų5472.6 Ų72.645%0.44635%0.35SS..Hα-helixtrans-67.1-43.5176.200000112.2N3 S4 V5 K10 F11N3-A7 WeakPolarHBondContact O-CB 3.31Å; N3-A7 PolarHBondContact O-N 3.49Å; S4-A7 PolarHBondContact O-N 2.97Å; V5-A7 VanDerWaalsContact C-N 3.32Å; V5-A7 PolarHBondContact O-N 3.04Å; A7-K10 PolarHBondContact O-N 2.79Å; A7-F11 PolarHBondContact O-N 2.95Å
8S77.3Confident75.7Confident13 Ų1368.8 Ų68.89%0.09133%0.331CS..Hα-helixtrans-60.2-44.3173.5-76.40000112S4 V5 F11 I12 G80S4-S8 PolarHBondContact O-N 2.9Å; V5-S8 PolarHBondContact O-N 3Å; S8-F11 WeakPolarHBondContact O-CB 3.22Å; S8-F11 PolarHBondContact O-N 3.02Å; S8-I12 WeakPolarHBondContact O-CD1 3.2Å; S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 2.95Å; S8-G80 WeakPolarHBondContact CB-O 3.46Å; S8-G80 PolarHBondContact OG-O 3.24Å; S8-G80 VanDerWaalsContact OG-O 3.05Å
9L75.7Confident75.5Confident10 Ų1066.8 Ų66.85%0.05233%0.325CS..Hα-helixtrans-69-37179.5-66.4170.2000112.2V5 F11 I12 N13 A37 V53 L55 L81V5-L9 HydrophobicContact CG1-CD1 3.87Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.49Å; V5-L9 PolarHBondContact O-N 3.21Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.03Å; L9-I12 HydrophobicContact CD2-CD1 4.03Å; L9-I12 PolarHBondContact O-N 2.98Å; L9-N13 WeakPolarHBondContact O-CB 3.44Å; L9-N13 PolarHBondContact O-N 3.27Å; L9-A37 HydrophobicContact CB-CB 4.32Å; L9-A37 HydrophobicContact CD1-CB 3.32Å; L9-A37 HydrophobicContact CG-CB 4.4Å; L9-V53 HydrophobicContact CD1-CG1 3.57Å; L9-L55 HydrophobicContact CD2-CD2 4.49Å; L9-L81 HydrophobicContact CD2-CD2 4.25Å; L9-L81 HydrophobicContact CG-CD2 4.32Å
10K76Confident74.5Confident158 Ų15864.7 Ų64.769%0.68732%0.322SS*.Hα-helixtrans-62.3-39170.3-77.1176.6-178.7-174.60112.1L6 A7 I12 N13 K14L6-K10 WeakPolarHBondContact O-CB 3.24Å; L6-K10 VanDerWaalsContact O-CG 3.25Å; L6-K10 WeakPolarHBondContact O-CG 3.2Å; L6-K10 PolarHBondContact O-N 2.92Å; A7-K10 PolarHBondContact O-N 2.79Å; K10-I12 VanDerWaalsContact C-N 3.34Å; K10-N13 PolarHBondContact O-N 2.99Å; K10-K14 WeakPolarHBondContact O-CB 3.02Å; K10-K14 PolarHBondContact O-N 3.33Å
11F78.1Confident73.3Confident124 Ų12463.7 Ų63.754%0.54433%0.328SS..Hα-helixtrans-63-42.8174.9175.6-90.3000111.5A7 S8 L9 K14 H15A7-F11 PolarHBondContact O-N 2.95Å; S8-F11 WeakPolarHBondContact O-CB 3.22Å; S8-F11 PolarHBondContact O-N 3.02Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.03Å; F11-K14 PolarHBondContact O-N 2.98Å; F11-H15 AromaticContact CD2-CE1 3.64Å; F11-H15 AromaticContact CD2-ND1 3.81Å; F11-H15 AromaticContact CE1-ND1 3.98Å; F11-H15 AromaticContact CE2-CE1 3.23Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.46Å; F11-H15 AromaticContact CE2-ND1 3.64Å; F11-H15 AromaticContact CZ-CE1 3.64Å; F11-H15 AromaticContact CZ-ND1 3.72Å; F11-H15 PolarHBondContact O-N 3Å; F11-H15 PolarHBondContact O-ND1 2.96Å
12I79.3Confident72.3Confident6 Ų662.8 Ų62.83%0.03133%0.332CS..Hα-helixtrans-61.3-51.4175.5-68.7157.2000110.5S8 L9 K10 K14 H15 W16 I18 V76S8-I12 WeakPolarHBondContact O-CD1 3.2Å; S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 2.95Å; L9-I12 HydrophobicContact CD2-CD1 4.03Å; L9-I12 PolarHBondContact O-N 2.98Å; K10-I12 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 3.12Å; I12-K14 VanDerWaalsContact O-N 3.15Å; I12-H15 PolarHBondContact O-N 2.89Å; I12-W16 HydrophobicContact CG2-CB 4.45Å; I12-W16 WeakPolarHBondContact O-CB 3.45Å; I12-W16 PolarHBondContact O-N 3.4Å; I12-I18 HydrophobicContact CG2-CD1 3.83Å; I12-V76 HydrophobicContact CB-CG1 4.36Å; I12-V76 HydrophobicContact CG1-CG1 4.22Å; I12-V76 HydrophobicContact CG2-CB 4.44Å; I12-V76 HydrophobicContact CG2-CG1 3.37Å
13N76.1Confident71.1Confident62 Ų6261.8 Ų61.833%0.33235%0.347SS..Hα-helixtrans-62.7-23-179.8-158.420.7000113.3L9 K10 I18 G35L9-N13 WeakPolarHBondContact O-CB 3.44Å; L9-N13 PolarHBondContact O-N 3.27Å; K10-N13 PolarHBondContact O-N 2.99Å; N13-I18 HydrophobicContact CB-CD1 3.84Å; N13-G35 PolarHBondContact ND2-O 2.88Å
14K77.6Confident69.5Low166 Ų16660.2 Ų60.272%0.72235%0.346SS*.Hα-helixtrans-77.2-29.9174.2-174.9176.5-179.2178.60113.4K10 F11 I12K10-K14 WeakPolarHBondContact O-CB 3.02Å; K10-K14 PolarHBondContact O-N 3.33Å; F11-K14 PolarHBondContact O-N 2.98Å; I12-K14 PolarHBondContact O-N 3.12Å; I12-K14 VanDerWaalsContact O-N 3.15Å
15H82.4Confident68Low41 Ų4165 Ų6519%0.1937%0.37CS..Hα-helixtrans-105.7-18-174.2-67.687000113.3F11 I12 N64 A65F11-H15 AromaticContact CD2-CE1 3.64Å; F11-H15 AromaticContact CD2-ND1 3.81Å; F11-H15 AromaticContact CE1-ND1 3.98Å; F11-H15 AromaticContact CE2-CE1 3.23Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.46Å; F11-H15 AromaticContact CE2-ND1 3.64Å; F11-H15 AromaticContact CZ-CE1 3.64Å; F11-H15 AromaticContact CZ-ND1 3.72Å; F11-H15 PolarHBondContact O-N 3Å; F11-H15 PolarHBondContact O-ND1 2.96Å; I12-H15 PolarHBondContact O-N 2.89Å; H15-N64 WeakPolarHBondContact O-CA 3.43Å; H15-A65 PolarHBondContact O-N 3.32Å
16W82Confident66.2Low44 Ų4471 Ų7117%0.16741%0.407CS..EExtended strand (participates in β ladder)trans-125.9133.3-179.3-64.886.9000109.1I12 I18 V62 N64 V76I12-W16 HydrophobicContact CG2-CB 4.45Å; I12-W16 WeakPolarHBondContact O-CB 3.45Å; I12-W16 PolarHBondContact O-N 3.4Å; W16-I18 VanDerWaalsContact C-N 3.35Å; W16-I18 HydrophobicContact CB-CG1 4.48Å; W16-I18 PolarHBondContact O-N 3.05Å; W16-V62 HydrophobicContact CB-CG2 4.43Å; W16-V62 HydrophobicContact CD2-CG2 4.36Å; W16-V62 HydrophobicContact CE3-CB 4.33Å; W16-V62 HydrophobicContact CE3-CG2 3.67Å; W16-V62 HydrophobicContact CZ3-CG2 4.3Å; W16-N64 HydrophobicContact CD2-CB 4.24Å; W16-N64 HydrophobicContact CE3-CB 3.96Å; W16-N64 HydrophobicContact CH2-CB 4.02Å; W16-N64 HydrophobicContact CZ2-CB 4.28Å; W16-N64 HydrophobicContact CZ3-CB 3.84Å; W16-V76 HydrophobicContact CB-CG1 4.27Å; W16-V76 HydrophobicContact CD2-CB 4.37Å; W16-V76 HydrophobicContact CD2-CG1 3.76Å; W16-V76 HydrophobicContact CD2-CG2 3.63Å; W16-V76 HydrophobicContact CE3-CG2 3.79Å; W16-V76 HydrophobicContact CG-CB 4.5Å; W16-V76 HydrophobicContact CG-CG1 3.52Å; W16-V76 HydrophobicContact CG-CG2 4.24Å; W16-V76 HydrophobicContact CH2-CG2 3.9Å; W16-V76 HydrophobicContact CZ2-CG1 4.46Å; W16-V76 HydrophobicContact CZ2-CG2 3.75Å; W16-V76 HydrophobicContact CZ3-CG2 3.92Å; W16-V76 VanDerWaalsContact NE1-CG1 3.35Å
17L77.9Confident64.4Low79 Ų7974.1 Ų74.141%0.41443%0.43SS..EExtended strand (participates in β ladder)trans-80.383.5179.9-61.4171.8000109.2K63 A65L17-K63 PolarHBondContact N-O 3.15Å; L17-A65 HydrophobicContact CD2-CB 4.48Å; L17-A65 HydrophobicContact CG-CB 4.45Å
18I75.6Confident62.7Low4 Ų475.8 Ų75.82%0.02144%0.435CS..  trans-75.6-31.3-178.8-54.8176.4000111.7I12 N13 W16 L55 A57 E58I12-I18 HydrophobicContact CG2-CD1 3.83Å; N13-I18 HydrophobicContact CB-CD1 3.84Å; W16-I18 VanDerWaalsContact C-N 3.35Å; W16-I18 HydrophobicContact CB-CG1 4.48Å; W16-I18 PolarHBondContact O-N 3.05Å; I18-L55 HydrophobicContact CD1-CD2 4.45Å; I18-A57 HydrophobicContact CG2-CB 3.5Å; I18-E58 PolarHBondContact O-N 3.22Å; I18-E58 VanDerWaalsContact O-N 3.11Å
19C70.7Confident61.1Low31 Ų3181.2 Ų81.221%0.20947%0.473CS..SBendtrans-119.4141179.1-53.70000109.4G21 C34 G35C19-G21 PolarHBondContact O-N 2.94Å; C19-C34 VanDerWaalsContact CA-SG 3.55Å; C19-C34 HydrophobicContact CB-CB 3.82Å; C19-C34 WeakPolarHBondContact CB-SG 3.37Å; C19-C34 VanDerWaalsContact SG-CA 3.58Å; C19-C34 WeakPolarHBondContact SG-CB 3.44Å; C19-C34 CovalentContact SG-SG 2.02Å; C19-C34 PolarHBondContact SG-SG 3Å; C19-G35 PolarHBondContact SG-N 2.86Å
20G56.7Low59.6Low25 Ų2585.8 Ų85.826%0.25851%0.506SS..  trans-71.7120.8-178.600000111.6E58G20-E58 PolarHBondContact N-OE2 3.19Å
21G48.5Very low58.5Low44 Ų4481.1 Ų81.145%0.45449%0.489SS..  trans171.9118.5161.700000112.7C19C19-G21 PolarHBondContact O-N 2.94Å
22S45.8Very low57.4Low89 Ų8978.5 Ų78.562%0.62249%0.49SS*.  trans-59.7161.1146.4-82.70000108.4S24 D25S22-S24 PolarHBondContact O-N 3.19Å; S22-D25 PolarHBondContact O-N 3.47Å
23P45.5Very low56.6Low147 Ų14782.5 Ų82.596%0.95551%0.511SS*.THydrogen-bonded Turntrans-60.15-174.8-21.232.2000116.8
24S39.6Very low56.2Low98 Ų9880.7 Ų80.769%0.68550%0.503SS*.THydrogen-bonded Turntrans-114.1-3.7-170.159.80000115.7S22S22-S24 PolarHBondContact O-N 3.19Å
25D39.4Very low55.6Low120 Ų12073.5 Ų73.564%0.64248%0.477SS*.  trans-87123.8179-72.4-30000111S22S22-D25 PolarHBondContact O-N 3.47Å
26T36.1Very low55.2Low129 Ų12977 Ų7779%0.79149%0.491SS*.  trans-71.4137.4174.833.70000109.9T28T26-T28 PolarHBondContact O-N 2.89Å; T26-T28 VanDerWaalsContact O-N 3.15Å
27P37.9Very low54.7Low112 Ų11276.1 Ų76.173%0.72749%0.493SS*.  trans-71114.8-174.626.4-29.5000109.8
28T39.2Very low54.8Low90 Ų9078.7 Ų78.755%0.55250%0.503SS*.  trans-64143.6161.441.10000109T26 S30 N31T26-T28 PolarHBondContact O-N 2.89Å; T26-T28 VanDerWaalsContact O-N 3.15Å; T28-S30 PolarHBondContact O-N 2.94Å; T28-N31 PolarHBondContact O-N 3.4Å
29S43.2Very low55Low127 Ų12779.1 Ų79.189%0.88851%0.506SS*.THydrogen-bonded Turntrans-54.9-12.7-173.8178.10000115.5
30S45.1Very low55.5Low105 Ų10581 Ų8173%0.73452%0.517SS*.THydrogen-bonded Turntrans-87.5-9.6176.656.20000114.4T28T28-S30 PolarHBondContact O-N 2.94Å
31N51.6Low56.6Low61 Ų6182.9 Ų82.933%0.32654%0.535SS..  trans-108.910.8-168.5-92.414.6000115.2T28 D33 E58T28-N31 PolarHBondContact O-N 3.4Å; N31-D33 PolarHBondContact O-N 2.94Å; N31-E58 PolarHBondContact ND2-OE1 3.09Å; N31-E58 PolarHBondContact OD1-OE1 3.49Å; N31-E58 VanDerWaalsContact OD1-OE1 3.09Å
32A54.8Low58.2Low69 Ų6985.3 Ų85.357%0.5754%0.535SS*.THydrogen-bonded Turntrans-68.6-16.2-176.500000114.2K36A32-K36 WeakPolarHBondContact O-CE 3.12Å; A32-K36 PolarHBondContact O-NZ 2.85Å
33D62.7Low59.7Low89 Ų8986.5 Ų86.548%0.47653%0.533SS..THydrogen-bonded Turntrans-111.6-2.7-174.4-68-31.8000114.8N31 G35 K36 I56N31-D33 PolarHBondContact O-N 2.94Å; D33-G35 PolarHBondContact O-N 2.7Å; D33-K36 HydrophobicContact CB-CD 4.42Å; D33-K36 WeakPolarHBondContact O-CB 3.19Å; D33-K36 PolarHBondContact O-N 2.82Å; D33-K36 VanDerWaalsContact O-N 3.17Å; D33-K36 WeakPolarHBondContact OD1-CD 3.37Å; D33-K36 IonicContact OD1-NZ 2.7Å; D33-K36 PolarHBondContact OD1-NZ 3.15Å; D33-I56 HydrophobicContact CB-CD1 4.04Å
34C68.3Low61.3Low24 Ų2482.4 Ų82.416%0.16251%0.505CS..THydrogen-bonded Turntrans-62.7135.6176.8-171.20000111C19 K36 E58C19-C34 VanDerWaalsContact CA-SG 3.55Å; C19-C34 HydrophobicContact CB-CB 3.82Å; C19-C34 WeakPolarHBondContact CB-SG 3.37Å; C19-C34 VanDerWaalsContact SG-CA 3.58Å; C19-C34 WeakPolarHBondContact SG-CB 3.44Å; C19-C34 CovalentContact SG-SG 2.02Å; C19-C34 PolarHBondContact SG-SG 3Å; C34-K36 PolarHBondContact O-N 2.81Å; C34-E58 HydrophobicContact CB-CG 4.2Å; C34-E58 WeakPolarHBondContact CB-OE1 3.02Å; C34-E58 VanDerWaalsContact SG-CD 3.54Å; C34-E58 WeakPolarHBondContact SG-CG 3.47Å; C34-E58 PolarHBondContact SG-OE1 3.06Å; C34-E58 VanDerWaalsContact SG-OE1 3.4Å
35G65.6Low62.9Low16 Ų1680.2 Ų80.217%0.16550%0.499CS..THydrogen-bonded Turntrans76.5-0.3179.600000113.8N13 C19 D33 I56N13-G35 PolarHBondContact ND2-O 2.88Å; C19-G35 PolarHBondContact SG-N 2.86Å; D33-G35 PolarHBondContact O-N 2.7Å; G35-I56 PolarHBondContact N-O 3.41Å
36K72.4Confident64.3Low115 Ų11582.6 Ų82.650%0.551%0.511SS..  trans-77.9142163.2-61.7-174.9-170.2159.40109A32 D33 C34A32-K36 WeakPolarHBondContact O-CE 3.12Å; A32-K36 PolarHBondContact O-NZ 2.85Å; D33-K36 HydrophobicContact CB-CD 4.42Å; D33-K36 WeakPolarHBondContact O-CB 3.19Å; D33-K36 PolarHBondContact O-N 2.82Å; D33-K36 VanDerWaalsContact O-N 3.17Å; D33-K36 WeakPolarHBondContact OD1-CD 3.37Å; D33-K36 IonicContact OD1-NZ 2.7Å; D33-K36 PolarHBondContact OD1-NZ 3.15Å; C34-K36 PolarHBondContact O-N 2.81Å
37A73.3Confident65.9Low25 Ų2587 Ų8721%0.20751%0.513CS..EExtended strand (participates in β ladder)trans-117.7127175.100000109.7L6 L9 T54 L55L6-A37 HydrophobicContact CD2-CB 4.25Å; L9-A37 HydrophobicContact CB-CB 4.32Å; L9-A37 HydrophobicContact CD1-CB 3.32Å; L9-A37 HydrophobicContact CG-CB 4.4Å; A37-T54 CarbonylContact C-O 3.53Å; A37-T54 VanDerWaalsContact CA-O 3.3Å; A37-T54 WeakPolarHBondContact CA-O 3.48Å; A37-L55 HydrophobicContact CB-CD1 4.1Å
38Q79.6Confident67.5Low133 Ų13388.2 Ų88.262%0.62151%0.509SS*.EExtended strand (participates in β ladder)trans-94.4129169.3-172.2170.9-5.700108.6V53 T54Q38-V53 WeakPolarHBondContact O-CA 3.48Å; Q38-T54 PolarHBondContact N-O 3.05Å; Q38-T54 PolarHBondContact O-N 3.17Å
39V79.8Confident69.1Low13 Ų1390.4 Ų90.48%0.07951%0.508CS..EExtended strand (participates in β ladder)trans-124.4116.4-179.5-177.30000108.1R2 V5 L6 I51 N52 V53R2-V39 HydrophobicContact CG-CB 4.2Å; R2-V39 HydrophobicContact CG-CG1 4.17Å; V5-V39 HydrophobicContact CB-CG1 4.25Å; V5-V39 HydrophobicContact CB-CG2 4.2Å; V5-V39 HydrophobicContact CG1-CG1 4.11Å; V5-V39 HydrophobicContact CG1-CG2 3.59Å; V5-V39 HydrophobicContact CG2-CG1 4.4Å; L6-V39 HydrophobicContact CD2-CG2 3.8Å; L6-V39 HydrophobicContact CG-CG2 4.12Å; V39-I51 HydrophobicContact CG1-CG2 3.94Å; V39-N52 WeakPolarHBondContact CA-O 3.41Å; V39-V53 HydrophobicContact CG1-CG2 4.41Å; V39-V53 HydrophobicContact CG2-CG1 4.42Å; V39-V53 HydrophobicContact CG2-CG2 4.4Å
40T81.1Confident70.7Confident71 Ų7190 Ų9044%0.43649%0.487SS..EExtended strand (participates in β ladder)trans-117.8159.5171.658.90000109.3I51 N52T40-I51 WeakPolarHBondContact O-CA 3.39Å; T40-N52 PolarHBondContact N-O 2.9Å; T40-N52 PolarHBondContact O-N 3.22Å
41G79.8Confident72.2Confident63 Ų6388 Ų8865%0.64947%0.467SS*.EExtended strand (participates in β ladder)trans-152.8145.3177.900000111.1R50G41-R50 CarbonylContact C-O 3.43Å; G41-R50 VanDerWaalsContact CA-O 3.22Å; G41-R50 WeakPolarHBondContact CA-O 3.3Å
42E81.1Confident73.5Confident95 Ų9588.7 Ų88.744%0.44447%0.471SS..EExtended strand (participates in β ladder)trans-134.2151.8-179.962.3179.2-175.800110.5V44 Y49 R50E42-V44 HydrophobicContact CG-CG2 3.92Å; E42-Y49 WeakPolarHBondContact O-CA 3.45Å; E42-R50 HydrophobicContact CG-CB 3.9Å; E42-R50 PolarHBondContact N-O 3.27Å; E42-R50 PolarHBondContact O-N 3.48Å; E42-R50 WeakPolarHBondContact OE1-CD 3.25Å; E42-R50 IonicContact OE1-NH1 3.21Å; E42-R50 PolarHBondContact OE1-NH1 2.86Å
43I78Confident74.6Confident115 Ų11588 Ų8859%0.5946%0.46SS*.EExtended strand (participates in β ladder)trans-91.5115.6173.4-51.7-174.2000106.8G45 Y49I43-G45 VanDerWaalsContact CG2-O 3.26Å; I43-G45 WeakPolarHBondContact CG2-O 3.31Å; I43-Y49 HydrophobicContact CB-CE1 4.48Å; I43-Y49 HydrophobicContact CD1-CE1 3.84Å; I43-Y49 HydrophobicContact CG1-CD1 3.91Å; I43-Y49 HydrophobicContact CG1-CE1 3.6Å; I43-Y49 HydrophobicContact CG2-CE1 4.4Å
44V78.9Confident75.4Confident60 Ų6087.7 Ų87.736%0.36446%0.461SS..EExtended strand (participates in β ladder)trans-100.895.6-179.2-174.50000108E42 H48 R50E42-V44 HydrophobicContact CG-CG2 3.92Å; V44-H48 HydrophobicContact CB-CB 4.36Å; V44-H48 PolarHBondContact N-O 3.34Å; V44-H48 VanDerWaalsContact O-CB 3.31Å; V44-H48 WeakPolarHBondContact O-CB 3.46Å; V44-H48 PolarHBondContact O-N 3.32Å; V44-R50 HydrophobicContact CG2-CB 3.71Å
45G74.2Confident75.8Confident53 Ų5388.6 Ų88.655%0.54646%0.464SS..THydrogen-bonded Turntrans69.5-165.4-174.500000113.6I43 R47I43-G45 VanDerWaalsContact CG2-O 3.26Å; I43-G45 WeakPolarHBondContact CG2-O 3.31Å; G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 2.97Å
46D69Low76.3Confident169 Ų16991.9 Ų91.990%0.90448%0.477SS*.THydrogen-bonded Turntrans-74.5-16.3-167-66.3-18.6000115.1
47R69.3Low76.5Confident222 Ų22288.4 Ų88.484%0.83847%0.469SS*.THydrogen-bonded Turntrans-144.58.7-171.8-65.9-169.6179.7172.81.5116.7G45G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 2.97Å
48H71.9Confident76.4Confident137 Ų13790.8 Ų90.863%0.63448%0.476SS*.EExtended strand (participates in β ladder)trans-116.5145.2176.8-57.379.3000111.6V44V44-H48 HydrophobicContact CB-CB 4.36Å; V44-H48 PolarHBondContact N-O 3.34Å; V44-H48 VanDerWaalsContact O-CB 3.31Å; V44-H48 WeakPolarHBondContact O-CB 3.46Å; V44-H48 PolarHBondContact O-N 3.32Å
49Y72Confident75.9Confident136 Ų13691.2 Ų91.253%0.53347%0.472SS..EExtended strand (participates in β ladder)trans-121.1126.5174.5-67.1-88.7000108.4E42 I43E42-Y49 WeakPolarHBondContact O-CA 3.45Å; I43-Y49 HydrophobicContact CB-CE1 4.48Å; I43-Y49 HydrophobicContact CD1-CE1 3.84Å; I43-Y49 HydrophobicContact CG1-CD1 3.91Å; I43-Y49 HydrophobicContact CG1-CE1 3.6Å; I43-Y49 HydrophobicContact CG2-CE1 4.4Å
50R76.8Confident75.4Confident119 Ų11994 Ų9445%0.44949%0.487SS..EExtended strand (participates in β ladder)trans-103.1132.4170-177.1-178.7-74.9157.1-12.6108.7G41 E42 V44G41-R50 CarbonylContact C-O 3.43Å; G41-R50 VanDerWaalsContact CA-O 3.22Å; G41-R50 WeakPolarHBondContact CA-O 3.3Å; E42-R50 HydrophobicContact CG-CB 3.9Å; E42-R50 PolarHBondContact N-O 3.27Å; E42-R50 PolarHBondContact O-N 3.48Å; E42-R50 WeakPolarHBondContact OE1-CD 3.25Å; E42-R50 IonicContact OE1-NH1 3.21Å; E42-R50 PolarHBondContact OE1-NH1 2.86Å; V44-R50 HydrophobicContact CG2-CB 3.71Å
51I76.8Confident75.1Confident62 Ų6294.6 Ų94.632%0.31849%0.492SS..EExtended strand (participates in β ladder)trans-119.6119177.3-56.8175.6000107.3M1 V39 T40 V53M1-I51 HydrophobicContact CB-CD1 4.22Å; M1-I51 HydrophobicContact SD-CD1 3.88Å; V39-I51 HydrophobicContact CG1-CG2 3.94Å; T40-I51 WeakPolarHBondContact O-CA 3.39Å; I51-V53 HydrophobicContact CG2-CG2 3.98Å
52N78.9Confident75.2Confident77 Ų7791.7 Ų91.741%0.41246%0.461SS..EExtended strand (participates in β ladder)trans-99.8126175.2-64.2-14000108.4V39 T40V39-N52 WeakPolarHBondContact CA-O 3.41Å; T40-N52 PolarHBondContact N-O 2.9Å; T40-N52 PolarHBondContact O-N 3.22Å
53V77.6Confident75.3Confident54 Ų5492.7 Ų92.733%0.32746%0.464SS..EExtended strand (participates in β ladder)trans-121.2115.8179.8-178.40000107.9V5 L9 Q38 V39 I51V5-V53 HydrophobicContact CG1-CG1 4.33Å; V5-V53 HydrophobicContact CG1-CG2 3.73Å; L9-V53 HydrophobicContact CD1-CG1 3.57Å; Q38-V53 WeakPolarHBondContact O-CA 3.48Å; V39-V53 HydrophobicContact CG1-CG2 4.41Å; V39-V53 HydrophobicContact CG2-CG1 4.42Å; V39-V53 HydrophobicContact CG2-CG2 4.4Å; I51-V53 HydrophobicContact CG2-CG2 3.98Å
54T79.1Confident75.5Confident82 Ų8288.3 Ų88.350%0.50344%0.442SS..EExtended strand (participates in β ladder)trans-105.3120.4174-490000108.3A37 Q38A37-T54 CarbonylContact C-O 3.53Å; A37-T54 VanDerWaalsContact CA-O 3.3Å; A37-T54 WeakPolarHBondContact CA-O 3.48Å; Q38-T54 PolarHBondContact N-O 3.05Å; Q38-T54 PolarHBondContact O-N 3.17Å
55L77.6Confident75.5Confident44 Ų4488.1 Ų88.123%0.2345%0.447CS..EExtended strand (participates in β ladder)trans-119.2126178.118070.8000108.6L9 I18 A37 V73L9-L55 HydrophobicContact CD2-CD2 4.49Å; I18-L55 HydrophobicContact CD1-CD2 4.45Å; A37-L55 HydrophobicContact CB-CD1 4.1Å; L55-V73 HydrophobicContact CD2-CG1 3.83Å
56I75.9Confident75.7Confident85 Ų8593.7 Ų93.744%0.43646%0.456SS..  trans-93120.9176.1-58.1172.4000108.4D33 G35D33-I56 HydrophobicContact CB-CD1 4.04Å; G35-I56 PolarHBondContact N-O 3.41Å
57A75.8Confident76.3Confident41 Ų4191.2 Ų91.234%0.33945%0.447SS..  trans-124140.5177.400000110.7I18 V73I18-A57 HydrophobicContact CG2-CB 3.5Å; A57-V73 HydrophobicContact CB-CG1 4.14Å; A57-V73 HydrophobicContact CB-CG2 3.73Å
58E71.9Confident76.7Confident75 Ų7582.5 Ų82.535%0.3543%0.426SS..SBendtrans-92.8-18.9177.2-81.3166.2-157.500112.8I18 G20 N31 C34I18-E58 PolarHBondContact O-N 3.22Å; I18-E58 VanDerWaalsContact O-N 3.11Å; G20-E58 PolarHBondContact N-OE2 3.19Å; N31-E58 PolarHBondContact ND2-OE1 3.09Å; N31-E58 PolarHBondContact OD1-OE1 3.49Å; N31-E58 VanDerWaalsContact OD1-OE1 3.09Å; C34-E58 HydrophobicContact CB-CG 4.2Å; C34-E58 WeakPolarHBondContact CB-OE1 3.02Å; C34-E58 VanDerWaalsContact SG-CD 3.54Å; C34-E58 WeakPolarHBondContact SG-CG 3.47Å; C34-E58 PolarHBondContact SG-OE1 3.06Å; C34-E58 VanDerWaalsContact SG-OE1 3.4Å
59R67.6Low77.2Confident143 Ų14378.3 Ų78.354%0.5442%0.415SS..  trans-134.3133.2-175.3-61.6-175.6-175.4-1700.7110.3V62 V73R59-V62 WeakPolarHBondContact O-CG1 3.33Å; R59-V73 WeakPolarHBondContact O-CG2 3.47Å
60D71.2Confident77.7Confident71 Ų7176.5 Ų76.538%0.3842%0.418SS..SBendtrans-144.7116165.7-160.12.6000107.1T72 V73D60-T72 WeakPolarHBondContact OD1-CA 3Å; D60-T72 WeakPolarHBondContact OD1-CB 3.48Å; D60-V73 HydrophobicContact CB-CG2 4.02Å; D60-V73 PolarHBondContact OD1-N 2.57Å
61P73.9Confident77.9Confident83 Ų8372.6 Ų72.654%0.53941%0.409SS..SBendcis-74.4143.68.830.2-35000114.8S71P61-S71 CarbonylContact C-O 3.56Å; P61-S71 WeakPolarHBondContact CA-O 3.27Å
62V81.6Confident78.1Confident2 Ų272.4 Ų72.41%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-82.9148.8173.1-69.40000111.7W16 R59 T70 S71 V73 V76W16-V62 HydrophobicContact CB-CG2 4.43Å; W16-V62 HydrophobicContact CD2-CG2 4.36Å; W16-V62 HydrophobicContact CE3-CB 4.33Å; W16-V62 HydrophobicContact CE3-CG2 3.67Å; W16-V62 HydrophobicContact CZ3-CG2 4.3Å; R59-V62 WeakPolarHBondContact O-CG1 3.33Å; V62-T70 VanDerWaalsContact O-CA 3.31Å; V62-T70 WeakPolarHBondContact O-CA 3.44Å; V62-S71 WeakPolarHBondContact CG2-O 3.34Å; V62-S71 PolarHBondContact N-O 2.83Å; V62-S71 PolarHBondContact O-N 3.41Å; V62-V73 HydrophobicContact CG1-CG2 3.59Å; V62-V76 HydrophobicContact CG2-CG2 3.93Å
63K82.4Confident78.1Confident116 Ų11669.8 Ų69.850%0.50440%0.398SS..EExtended strand (participates in β ladder)trans-104.3135.9178.3-169.1175.4-179.7178.20111L17L17-K63 PolarHBondContact N-O 3.15Å
64N83Confident78.1Confident23 Ų2371 Ų7112%0.12340%0.397CS..EExtended strand (participates in β ladder)trans-70.5130.5173.3-169.7-73.2000110.4H15 W16 K66 V67 G68 A69H15-N64 WeakPolarHBondContact O-CA 3.43Å; W16-N64 HydrophobicContact CD2-CB 4.24Å; W16-N64 HydrophobicContact CE3-CB 3.96Å; W16-N64 HydrophobicContact CH2-CB 4.02Å; W16-N64 HydrophobicContact CZ2-CB 4.28Å; W16-N64 HydrophobicContact CZ3-CB 3.84Å; N64-K66 PolarHBondContact O-N 3.29Å; N64-K66 PolarHBondContact OD1-N 2.81Å; N64-V67 PolarHBondContact OD1-N 3.21Å; N64-V67 VanDerWaalsContact OD1-N 3.12Å; N64-G68 PolarHBondContact O-N 3Å; N64-A69 PolarHBondContact N-O 3.38Å
65A79.8Confident78Confident57 Ų5768.4 Ų68.447%0.47138%0.384SS..THydrogen-bonded Turntrans-64.9-23.3-175.200000114H15 L17H15-A65 PolarHBondContact O-N 3.32Å; L17-A65 HydrophobicContact CD2-CB 4.48Å; L17-A65 HydrophobicContact CG-CB 4.45Å
66K78.3Confident78.2Confident170 Ų17066.6 Ų66.674%0.73938%0.375SS*.THydrogen-bonded Turntrans-110.4-39.5-175.4-67.6-177.3177.6179.50113.8N64N64-K66 PolarHBondContact O-N 3.29Å; N64-K66 PolarHBondContact OD1-N 2.81Å
67V81.9Confident78.4Confident117 Ų11763.2 Ų63.271%0.70936%0.359SS*.THydrogen-bonded Turntrans-104.7-6.2-167.6-153.10000112.2N64 A69N64-V67 PolarHBondContact OD1-N 3.21Å; N64-V67 VanDerWaalsContact OD1-N 3.12Å; V67-A69 PolarHBondContact O-N 3.46Å
68G75.8Confident78.4Confident38 Ų3863.1 Ų63.139%0.39235%0.352SS..  trans69.2-5.3178.700000115.8N64N64-G68 PolarHBondContact O-N 3Å
69A82.4Confident78.7Confident49 Ų4965.2 Ų65.241%0.40536%0.364SS..  trans-61.5145.3174.800000112N64 V67N64-A69 PolarHBondContact N-O 3.38Å; V67-A69 PolarHBondContact O-N 3.46Å
70T82.6Confident79Confident99 Ų9959 Ų5961%0.60735%0.345SS*.EExtended strand (participates in β ladder)trans-105.1143.3175.151.30000110.5V62V62-T70 VanDerWaalsContact O-CA 3.31Å; V62-T70 WeakPolarHBondContact O-CA 3.44Å
71S82Confident79.2Confident36 Ų3656.4 Ų56.425%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-153.5163.1175.6-164.20000109.4P61 V62P61-S71 CarbonylContact C-O 3.56Å; P61-S71 WeakPolarHBondContact CA-O 3.27Å; V62-S71 WeakPolarHBondContact CG2-O 3.34Å; V62-S71 PolarHBondContact N-O 2.83Å; V62-S71 PolarHBondContact O-N 3.41Å
72T81.2Confident79.1Confident58 Ų5857.1 Ų57.136%0.35633%0.325SS..  trans-76.1152.5178.561.10000111.4D60 Y74 A75 V76D60-T72 WeakPolarHBondContact OD1-CA 3Å; D60-T72 WeakPolarHBondContact OD1-CB 3.48Å; T72-Y74 PolarHBondContact O-N 3.49Å; T72-A75 PolarHBondContact O-N 2.91Å; T72-A75 WeakPolarHBondContact OG1-CB 3.34Å; T72-A75 PolarHBondContact OG1-N 3.16Å; T72-V76 WeakPolarHBondContact O-CG2 3.13Å; T72-V76 PolarHBondContact O-N 3.22Å; T72-V76 VanDerWaalsContact O-N 3.16Å
73V78.6Confident78.3Confident23 Ų2358.5 Ų58.514%0.13934%0.34CS..Hα-helixtrans-53.7-41.3175.2176.80000110.1L55 A57 R59 D60 V62 A77L55-V73 HydrophobicContact CD2-CG1 3.83Å; A57-V73 HydrophobicContact CB-CG1 4.14Å; A57-V73 HydrophobicContact CB-CG2 3.73Å; R59-V73 WeakPolarHBondContact O-CG2 3.47Å; D60-V73 HydrophobicContact CB-CG2 4.02Å; D60-V73 PolarHBondContact OD1-N 2.57Å; V62-V73 HydrophobicContact CG1-CG2 3.59Å; V73-A77 VanDerWaalsContact O-CB 3.24Å; V73-A77 WeakPolarHBondContact O-CB 3.48Å; V73-A77 PolarHBondContact O-N 2.84Å
74Y77.4Confident77.4Confident79 Ų7954.1 Ų54.131%0.3133%0.328SS..Hα-helixtrans-58.5-54.4176.4173.9-101000113T72 V76 A77 H78 E106T72-Y74 PolarHBondContact O-N 3.49Å; Y74-V76 VanDerWaalsContact C-N 3.26Å; Y74-V76 PolarHBondContact O-N 3.02Å; Y74-A77 PolarHBondContact O-N 3.47Å; Y74-H78 HydrophobicContact CE1-CB 4.49Å; Y74-H78 HydrophobicContact CE2-CB 4.5Å; Y74-H78 WeakPolarHBondContact O-CB 3.38Å; Y74-H78 PolarHBondContact O-N 2.97Å; Y74-E106 HydrophobicContact CD2-CG 4.1Å; Y74-E106 HydrophobicContact CE2-CG 3.59Å; Y74-E106 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E106 WeakPolarHBondContact CE2-OE2 3.42Å; Y74-E106 VanDerWaalsContact CZ-CD 3.42Å; Y74-E106 PolarHBondContact OH-OE1 3.03Å
75A77.3Confident76.2Confident28 Ų2853.7 Ų53.723%0.23133%0.326CS..Hα-helixtrans-60-41.4-175.800000111.2T72 I79T72-A75 PolarHBondContact O-N 2.91Å; T72-A75 WeakPolarHBondContact OG1-CB 3.34Å; T72-A75 PolarHBondContact OG1-N 3.16Å; A75-I79 WeakPolarHBondContact O-CB 3.23Å; A75-I79 WeakPolarHBondContact O-CD1 3.43Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 2.83Å
76V81.6Confident75.2Confident5 Ų555.2 Ų55.23%0.0332%0.322CS..Hα-helixtrans-68.8-44178.7-178.60000111.6I12 W16 V62 T72 Y74 I79 G80I12-V76 HydrophobicContact CB-CG1 4.36Å; I12-V76 HydrophobicContact CG1-CG1 4.22Å; I12-V76 HydrophobicContact CG2-CB 4.44Å; I12-V76 HydrophobicContact CG2-CG1 3.37Å; W16-V76 HydrophobicContact CB-CG1 4.27Å; W16-V76 HydrophobicContact CD2-CB 4.37Å; W16-V76 HydrophobicContact CD2-CG1 3.76Å; W16-V76 HydrophobicContact CD2-CG2 3.63Å; W16-V76 HydrophobicContact CE3-CG2 3.79Å; W16-V76 HydrophobicContact CG-CB 4.5Å; W16-V76 HydrophobicContact CG-CG1 3.52Å; W16-V76 HydrophobicContact CG-CG2 4.24Å; W16-V76 HydrophobicContact CH2-CG2 3.9Å; W16-V76 HydrophobicContact CZ2-CG1 4.46Å; W16-V76 HydrophobicContact CZ2-CG2 3.75Å; W16-V76 HydrophobicContact CZ3-CG2 3.92Å; W16-V76 VanDerWaalsContact NE1-CG1 3.35Å; V62-V76 HydrophobicContact CG2-CG2 3.93Å; T72-V76 WeakPolarHBondContact O-CG2 3.13Å; T72-V76 PolarHBondContact O-N 3.22Å; T72-V76 VanDerWaalsContact O-N 3.16Å; Y74-V76 VanDerWaalsContact C-N 3.26Å; Y74-V76 PolarHBondContact O-N 3.02Å; V76-I79 PolarHBondContact O-N 3.47Å; V76-G80 PolarHBondContact O-N 2.81Å
77A79.3Confident74.1Confident14 Ų1453.9 Ų53.912%0.11632%0.318CS..Hα-helixtrans-59.6-49.6175.300000110.7V73 Y74 I79 G80 L81V73-A77 VanDerWaalsContact O-CB 3.24Å; V73-A77 WeakPolarHBondContact O-CB 3.48Å; V73-A77 PolarHBondContact O-N 2.84Å; Y74-A77 PolarHBondContact O-N 3.47Å; A77-I79 PolarHBondContact O-N 3.02Å; A77-G80 PolarHBondContact O-N 3.09Å; A77-G80 VanDerWaalsContact O-N 3.15Å; A77-L81 WeakPolarHBondContact O-CB 2.97Å; A77-L81 WeakPolarHBondContact O-CG 3.31Å; A77-L81 PolarHBondContact O-N 3.4Å
78H77.5Confident72.7Confident40 Ų4053.6 Ų53.619%0.18531%0.305CS..Hα-helixtrans-61.3-40.9-179.1-177.4-102.7000112.5Y74 K82 F104Y74-H78 HydrophobicContact CE1-CB 4.49Å; Y74-H78 HydrophobicContact CE2-CB 4.5Å; Y74-H78 WeakPolarHBondContact O-CB 3.38Å; Y74-H78 PolarHBondContact O-N 2.97Å; H78-K82 VanDerWaalsContact CE1-CD 3.43Å; H78-K82 WeakPolarHBondContact CE1-CD 3.4Å; H78-K82 WeakPolarHBondContact CE1-CE 3.2Å; H78-K82 PolarHBondContact CE1-NZ 3.03Å; H78-K82 WeakPolarHBondContact NE2-CE 3.49Å; H78-K82 PolarHBondContact NE2-NZ 2.86Å; H78-K82 VanDerWaalsContact O-CB 3.27Å; H78-K82 WeakPolarHBondContact O-CB 3.35Å; H78-K82 WeakPolarHBondContact O-CG 3.21Å; H78-K82 PolarHBondContact O-N 2.02Å; H78-F104 AromaticContact CD2-CD2 3.71Å; H78-F104 AromaticContact CD2-CE2 3.72Å; H78-F104 AromaticContact CD2-CG 3.97Å; H78-F104 AromaticContact CD2-CZ 3.95Å; H78-F104 AromaticContact NE2-CD2 3.74Å; H78-F104 AromaticContact NE2-CE2 3.76Å
79I76.9Confident71.6Confident118 Ų11856.7 Ų56.761%0.60532%0.317SS*.Hα-helixtrans-62-47.4173-69.8163.9000111.2A75 V76 A77 G83A75-I79 WeakPolarHBondContact O-CB 3.23Å; A75-I79 WeakPolarHBondContact O-CD1 3.43Å; A75-I79 WeakPolarHBondContact O-CG1 3.44Å; A75-I79 PolarHBondContact O-N 2.83Å; V76-I79 PolarHBondContact O-N 3.47Å; A77-I79 PolarHBondContact O-N 3.02Å; I79-G83 WeakPolarHBondContact O-CA 3.34Å; I79-G83 PolarHBondContact O-N 3.15Å
80G74.6Confident69.9Low13 Ų1359.8 Ų59.813%0.13433%0.326CS..Hα-helixtrans-70.4-31.5-179.100000113.9S8 V76 A77 G84S8-G80 WeakPolarHBondContact CB-O 3.46Å; S8-G80 PolarHBondContact OG-O 3.24Å; S8-G80 VanDerWaalsContact OG-O 3.05Å; V76-G80 PolarHBondContact O-N 2.81Å; A77-G80 PolarHBondContact O-N 3.09Å; A77-G80 VanDerWaalsContact O-N 3.15Å; G80-G84 WeakPolarHBondContact O-CA 3.36Å; G80-G84 PolarHBondContact O-N 3.15Å
81L74.3Confident68.4Low17 Ų1758.1 Ų58.19%0.08932%0.323CS..Hα-helixtrans-75.7-46.2176.6-63.9173000110.9V5 L9 A77 I85 F86 F104V5-L81 HydrophobicContact CG1-CD2 4.07Å; L9-L81 HydrophobicContact CD2-CD2 4.25Å; L9-L81 HydrophobicContact CG-CD2 4.32Å; A77-L81 WeakPolarHBondContact O-CB 2.97Å; A77-L81 WeakPolarHBondContact O-CG 3.31Å; A77-L81 PolarHBondContact O-N 3.4Å; L81-I85 HydrophobicContact CB-CD1 3.89Å; L81-I85 HydrophobicContact CD2-CD1 3.16Å; L81-I85 HydrophobicContact CD2-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CB 3.32Å; L81-I85 PolarHBondContact O-N 3.17Å; L81-F86 WeakPolarHBondContact O-CD2 3.24Å; L81-F104 HydrophobicContact CB-CE1 4.42Å; L81-F104 HydrophobicContact CD1-CE1 4.29Å
82K72.3Confident67Low97 Ų9758.2 Ų58.242%0.42232%0.32SS..Hα-helixtrans-65.3-41.8174.8-76.9-171.4166.8172.10112.5H78 F104H78-K82 VanDerWaalsContact CE1-CD 3.43Å; H78-K82 WeakPolarHBondContact CE1-CD 3.4Å; H78-K82 WeakPolarHBondContact CE1-CE 3.2Å; H78-K82 PolarHBondContact CE1-NZ 3.03Å; H78-K82 WeakPolarHBondContact NE2-CE 3.49Å; H78-K82 PolarHBondContact NE2-NZ 2.86Å; H78-K82 VanDerWaalsContact O-CB 3.27Å; H78-K82 WeakPolarHBondContact O-CB 3.35Å; H78-K82 WeakPolarHBondContact O-CG 3.21Å; H78-K82 PolarHBondContact O-N 2.02Å; K82-F104 HydrophobicContact CD-CE2 4.37Å; K82-F104 VanDerWaalsContact CE-CE2 3.4Å; K82-F104 HydrophobicContact CG-CE2 4.06Å; K82-F104 HydrophobicContact CG-CZ 3.99Å
83G65.6Low65.6Low31 Ų3162.7 Ų62.732%0.3234%0.335SS..Hα-helixtrans-73.6-34.9179.400000113.7I79 Q87I79-G83 WeakPolarHBondContact O-CA 3.34Å; I79-G83 PolarHBondContact O-N 3.15Å; G83-Q87 WeakPolarHBondContact O-CB 3.43Å; G83-Q87 WeakPolarHBondContact O-CG 3.2Å; G83-Q87 PolarHBondContact O-OE1 2.95Å; G83-Q87 VanDerWaalsContact O-OE1 3.12Å
84G62.9Low64.3Low25 Ų2567.7 Ų67.726%0.25837%0.366SS..Hα-helixtrans-96.8-50.3-174.900000115.1G80 Y88G80-G84 WeakPolarHBondContact O-CA 3.36Å; G80-G84 PolarHBondContact O-N 3.15Å; G84-Y88 WeakPolarHBondContact O-CD2 2.97Å; G84-Y88 WeakPolarHBondContact O-CE2 3.49Å
85I58.9Low63.2Low13 Ų1369.8 Ų69.87%0.06738%0.381CS..THydrogen-bonded Turntrans-79-36.3-169.8-62159.7000112.1V5 L81 Y88V5-I85 HydrophobicContact CB-CD1 4.01Å; V5-I85 HydrophobicContact CG1-CD1 4.24Å; V5-I85 HydrophobicContact CG2-CD1 3.5Å; V5-I85 VanDerWaalsContact CG2-CD1 3.5Å; V5-I85 HydrophobicContact CG2-CG1 4.07Å; L81-I85 HydrophobicContact CB-CD1 3.89Å; L81-I85 HydrophobicContact CD2-CD1 3.16Å; L81-I85 HydrophobicContact CD2-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CB 3.32Å; L81-I85 PolarHBondContact O-N 3.17Å; I85-Y88 WeakPolarHBondContact O-CD2 3.32Å
86F57.6Low62.2Low89 Ų8970.6 Ų70.639%0.3939%0.392SS..THydrogen-bonded Turntrans-97.9-2.8-171.8-63.6-80.1000113.8L81 Y88 L102L81-F86 WeakPolarHBondContact O-CD2 3.24Å; F86-Y88 VanDerWaalsContact C-N 3.28Å; F86-L102 HydrophobicContact CD1-CD1 4.46Å; F86-L102 HydrophobicContact CD1-CD2 3.98Å; F86-L102 HydrophobicContact CD2-CD2 3.32Å; F86-L102 HydrophobicContact CE1-CD1 3.58Å; F86-L102 HydrophobicContact CE1-CD2 3.83Å; F86-L102 HydrophobicContact CE1-CG 4.26Å; F86-L102 HydrophobicContact CE2-CD1 3.85Å; F86-L102 HydrophobicContact CE2-CD2 3.16Å; F86-L102 HydrophobicContact CE2-CG 4.12Å; F86-L102 HydrophobicContact CG-CD2 3.75Å; F86-L102 HydrophobicContact CZ-CD1 3.21Å; F86-L102 HydrophobicContact CZ-CD2 3.44Å; F86-L102 VanDerWaalsContact CZ-CD2 3.44Å; F86-L102 HydrophobicContact CZ-CG 3.94Å
87Q55Low60.9Low143 Ų14380.3 Ų80.367%0.66843%0.434SS*.THydrogen-bonded Turntrans-79.5-6.3169.7-76.1-168.5-4.700113.6G83 T89G83-Q87 WeakPolarHBondContact O-CB 3.43Å; G83-Q87 WeakPolarHBondContact O-CG 3.2Å; G83-Q87 PolarHBondContact O-OE1 2.95Å; G83-Q87 VanDerWaalsContact O-OE1 3.12Å; Q87-T89 PolarHBondContact O-N 3.18Å
88Y53.5Low59.8Low110 Ų11083.5 Ų83.543%0.43145%0.454SS..  trans-74.173.5178.3-73.4-82.7000112.5S4 G84 I85 F86 N90 A91S4-Y88 WeakPolarHBondContact OG-CE2 3.25Å; G84-Y88 WeakPolarHBondContact O-CD2 2.97Å; G84-Y88 WeakPolarHBondContact O-CE2 3.49Å; I85-Y88 WeakPolarHBondContact O-CD2 3.32Å; F86-Y88 VanDerWaalsContact C-N 3.28Å; Y88-N90 PolarHBondContact O-N 2.9Å; Y88-A91 HydrophobicContact CD1-CB 4.29Å; Y88-A91 HydrophobicContact CG-CB 4.28Å; Y88-A91 PolarHBondContact O-N 3.34Å
89T51.4Low58.9Low104 Ų10488.4 Ų88.464%0.63848%0.477SS*.THydrogen-bonded Turntrans-57.6-9159.6520000112.9Q87 K93Q87-T89 PolarHBondContact O-N 3.18Å; T89-K93 VanDerWaalsContact O-CD 3.24Å; T89-K93 WeakPolarHBondContact O-CD 3.45Å; T89-K93 VanDerWaalsContact O-CE 3.27Å; T89-K93 WeakPolarHBondContact O-CE 3.38Å; T89-K93 WeakPolarHBondContact O-CG 3.01Å
90N48.3Very low58Low113 Ų11389 Ų8960%0.60449%0.488SS*.THydrogen-bonded Turntrans-103.9-30179.2-73-22.2000115.4Y88 K93Y88-N90 PolarHBondContact O-N 2.9Å; N90-K93 PolarHBondContact OD1-NZ 2.91Å
91A50.1Low57.2Low64 Ų6496.6 Ų96.653%0.52952%0.518SS..THydrogen-bonded Turntrans-86.8-20.3-179.900000113.6Y88Y88-A91 HydrophobicContact CD1-CB 4.29Å; Y88-A91 HydrophobicContact CG-CB 4.28Å; Y88-A91 PolarHBondContact O-N 3.34Å
92L52.4Low56.7Low39 Ų3998.9 Ų98.920%0.20453%0.53CS..SBendtrans-97.8-4.5178.1-74.1156000113.1T94 L95 G96 P98L92-T94 VanDerWaalsContact C-N 3.25Å; L92-T94 PolarHBondContact O-N 2.03Å; L92-L95 PolarHBondContact O-N 3.07Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-G96 PolarHBondContact O-N 2.8Å; L92-P98 HydrophobicContact CD1-CG 4.15Å; L92-P98 HydrophobicContact CD2-CG 4.41Å
93K51.1Low56.2Low151 Ų15198.3 Ų98.366%0.65754%0.543SS*.G310 helixtrans-60.1-32.1179.7-108.1170.9-168.9168.50113.4T89 N90 L95T89-K93 VanDerWaalsContact O-CD 3.24Å; T89-K93 WeakPolarHBondContact O-CD 3.45Å; T89-K93 VanDerWaalsContact O-CE 3.27Å; T89-K93 WeakPolarHBondContact O-CE 3.38Å; T89-K93 WeakPolarHBondContact O-CG 3.01Å; N90-K93 PolarHBondContact OD1-NZ 2.91Å; K93-L95 VanDerWaalsContact C-N 3.33Å
94T52.6Low56.2Low129 Ų12999.8 Ų99.879%0.79154%0.541SS*.G310 helixtrans-77.5-11.6179.3210000114.3L92L92-T94 VanDerWaalsContact C-N 3.25Å; L92-T94 PolarHBondContact O-N 2.03Å
95L54.5Low56.4Low122 Ų122105.6 Ų105.664%0.63957%0.566SS**G310 helixtrans-118.65.6-174.7-68.8167000113.5L92 K93L92-L95 PolarHBondContact O-N 3.07Å; L92-L95 VanDerWaalsContact O-N 3.16Å; K93-L95 VanDerWaalsContact C-N 3.33Å
96G55.1Low56.8Low45 Ų45109.8 Ų109.846%0.46459%0.585SS.*  trans83.6154.9-173.100000112.6L92 P98L92-G96 PolarHBondContact O-N 2.8Å; G96-P98 VanDerWaalsContact O-CD 3.25Å; G96-P98 WeakPolarHBondContact O-CD 3.44Å
97K55.6Low57.3Low210 Ų210108.8 Ų108.891%0.91359%0.594SS**PPolyproline II helixtrans-63.7116.8176.6-74.3-177.6179.9178.30108.8
98P56.3Low57.9Low81 Ų81105.8 Ų105.853%0.52658%0.579SS.*PPolyproline II helixtrans-65.3152.2172.427.1-32.4000110L92 G96L92-P98 HydrophobicContact CD1-CG 4.15Å; L92-P98 HydrophobicContact CD2-CG 4.41Å; G96-P98 VanDerWaalsContact O-CD 3.25Å; G96-P98 WeakPolarHBondContact O-CD 3.44Å
99E57.5Low58.7Low142 Ų142108.5 Ų108.566%0.66459%0.593SS**PPolyproline II helixtrans-55.2144.3168.1-83.5-168.2177.900110K101E99-K101 PolarHBondContact O-N 3.5Å
100P57.4Low59.6Low131 Ų131104.9 Ų104.985%0.85157%0.572SS**SBendtrans-69.62.2179.929.3-35.2000113.7L102P100-L102 VanDerWaalsContact C-N 3.34Å; P100-L102 PolarHBondContact O-N 2.98Å
101K58.9Low60.7Low172 Ų172105.9 Ų105.975%0.74857%0.568SS**  trans-8180-178.3-67.9-177.5-175.3166.20110.5E99E99-K101 PolarHBondContact O-N 3.5Å
102L62.9Low61.7Low66 Ų66111.7 Ų111.735%0.34658%0.576SS.*  trans-91.5105.8167.8-179.666000109.4F86 P100 F104F86-L102 HydrophobicContact CD1-CD1 4.46Å; F86-L102 HydrophobicContact CD1-CD2 3.98Å; F86-L102 HydrophobicContact CD2-CD2 3.32Å; F86-L102 HydrophobicContact CE1-CD1 3.58Å; F86-L102 HydrophobicContact CE1-CD2 3.83Å; F86-L102 HydrophobicContact CE1-CG 4.26Å; F86-L102 HydrophobicContact CE2-CD1 3.85Å; F86-L102 HydrophobicContact CE2-CD2 3.16Å; F86-L102 HydrophobicContact CE2-CG 4.12Å; F86-L102 HydrophobicContact CG-CD2 3.75Å; F86-L102 HydrophobicContact CZ-CD1 3.21Å; F86-L102 HydrophobicContact CZ-CD2 3.44Å; F86-L102 VanDerWaalsContact CZ-CD2 3.44Å; F86-L102 HydrophobicContact CZ-CG 3.94Å; P100-L102 VanDerWaalsContact C-N 3.34Å; P100-L102 PolarHBondContact O-N 2.98Å; L102-F104 HydrophobicContact CD2-CD2 4.49Å; L102-F104 HydrophobicContact CD2-CE2 3.38Å; L102-F104 HydrophobicContact CD2-CZ 3.48Å; L102-F104 VanDerWaalsContact CD2-CZ 3.48Å; L102-F104 HydrophobicContact CG-CD2 4.24Å; L102-F104 HydrophobicContact CG-CE2 3.55Å; L102-F104 HydrophobicContact CG-CZ 3.96Å
103A63.2Low62.7Low84 Ų84109.9 Ų109.969%0.69457%0.566SS**  trans-92.6141.8170.900000110.1
104F65.5Low63.9Low62 Ų62102.8 Ų102.827%0.27254%0.536SS..  trans-113.2120.9171.4-69.2-95.8000107H78 L81 K82 L102H78-F104 AromaticContact CD2-CD2 3.71Å; H78-F104 AromaticContact CD2-CE2 3.72Å; H78-F104 AromaticContact CD2-CG 3.97Å; H78-F104 AromaticContact CD2-CZ 3.95Å; H78-F104 AromaticContact NE2-CD2 3.74Å; H78-F104 AromaticContact NE2-CE2 3.76Å; L81-F104 HydrophobicContact CB-CE1 4.42Å; L81-F104 HydrophobicContact CD1-CE1 4.29Å; K82-F104 HydrophobicContact CD-CE2 4.37Å; K82-F104 VanDerWaalsContact CE-CE2 3.4Å; K82-F104 HydrophobicContact CG-CE2 4.06Å; K82-F104 HydrophobicContact CG-CZ 3.99Å; L102-F104 HydrophobicContact CD2-CD2 4.49Å; L102-F104 HydrophobicContact CD2-CE2 3.38Å; L102-F104 HydrophobicContact CD2-CZ 3.48Å; L102-F104 VanDerWaalsContact CD2-CZ 3.48Å; L102-F104 HydrophobicContact CG-CD2 4.24Å; L102-F104 HydrophobicContact CG-CE2 3.55Å; L102-F104 HydrophobicContact CG-CZ 3.96Å
105D66.7Low65.3Low147 Ų14797.8 Ų97.879%0.78651%0.505SS*.  trans-96.8132169.5-68.4-30.9000108.1
106E67.8Low66.4Low101 Ų10195.9 Ų95.947%0.47250%0.495SS..  trans-113.8137.9-171.9-67.1169.3-136.900111.3Y74Y74-E106 HydrophobicContact CD2-CG 4.1Å; Y74-E106 HydrophobicContact CE2-CG 3.59Å; Y74-E106 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E106 WeakPolarHBondContact CE2-OE2 3.42Å; Y74-E106 VanDerWaalsContact CZ-CD 3.42Å; Y74-E106 PolarHBondContact OH-OE1 3.03Å
107A67.8Low67.2Low69 Ų6995.2 Ų95.257%0.5748%0.482SS*.  trans-143.8122.6170.300000109.3F109A107-F109 HydrophobicContact CB-CD2 4.42Å; A107-F109 HydrophobicContact CB-CE2 3.52Å; A107-F109 HydrophobicContact CB-CZ 3.74Å
108F68.3Low67.8Low80 Ų8090.8 Ų90.835%0.35147%0.468SS..  trans-93.4129.7175.2-66.4-86.4000109.3L116 T119 D120F108-L116 HydrophobicContact CB-CD1 3.54Å; F108-T119 WeakPolarHBondContact CD2-O 3.33Å; F108-D120 HydrophobicContact CE2-CB 4.47Å; F108-D120 HydrophobicContact CZ-CB 4.46Å
109F68.9Low68.2Low166 Ų16692.3 Ų92.373%0.72848%0.476SS*.  trans-121.5131.2175.7-59.9-83.1000109A107A107-F109 HydrophobicContact CB-CD2 4.42Å; A107-F109 HydrophobicContact CB-CE2 3.52Å; A107-F109 HydrophobicContact CB-CZ 3.74Å
110C71.2Confident68.7Low29 Ų2989 Ų8920%0.19646%0.463CS..PPolyproline II helixtrans-87.5152.3174.1-63.20000110.7A114 C122C110-A114 HydrophobicContact CB-CB 3.98Å; C110-A114 WeakPolarHBondContact CB-O 3.38Å; C110-C122 WeakPolarHBondContact CA-SG 3Å; C110-C122 HydrophobicContact CB-CB 3.76Å; C110-C122 WeakPolarHBondContact CB-SG 3.16Å; C110-C122 WeakPolarHBondContact SG-CA 2.98Å; C110-C122 WeakPolarHBondContact SG-CB 3.43Å; C110-C122 CovalentContact SG-SG 2.03Å; C110-C122 PolarHBondContact SG-SG 3.38Å
111Y70.1Confident69.2Low134 Ų13488.6 Ų88.653%0.52545%0.448SS..PPolyproline II helixtrans-65.4155.6171.958.9-88.9000110.3G113 A114 C122 L124Y111-G113 PolarHBondContact O-N 2.94Å; Y111-A114 HydrophobicContact CD1-CB 4.46Å; Y111-A114 HydrophobicContact CD2-CB 4.28Å; Y111-A114 HydrophobicContact CE1-CB 4.1Å; Y111-A114 HydrophobicContact CE2-CB 3.91Å; Y111-A114 PolarHBondContact O-N 3.11Å; Y111-C122 HydrophobicContact CE1-CB 4.49Å; Y111-L124 HydrophobicContact CE2-CD2 3.53Å; Y111-L124 HydrophobicContact CE2-CG 4.45Å; Y111-L124 WeakPolarHBondContact OH-CD2 3.36Å; Y111-L124 WeakPolarHBondContact OH-CG 3.48Å
112R72Confident70Confident186 Ų18683.2 Ų83.270%0.70243%0.432SS*.THydrogen-bonded Turntrans-49.3129.4177.3-77-175.6161.5118.70.1110.9E133R112-E133 IonicContact CZ-OE1 3.79Å; R112-E133 IonicContact NE-OE1 2.69Å; R112-E133 PolarHBondContact NE-OE1 2.98Å; R112-E133 IonicContact NH2-OE1 2.73Å
113G72.9Confident70.8Confident0 Ų087.2 Ų87.20%044%0.442CS..THydrogen-bonded Turntrans96-1.7-176.400000114.7Y111 C125 G151Y111-G113 PolarHBondContact O-N 2.94Å; G113-C125 PolarHBondContact O-N 3.49Å; G113-C125 PolarHBondContact O-SG 3.29Å; G113-G151 WeakPolarHBondContact CA-O 3.33Å; G113-G151 WeakPolarHBondContact O-CA 3.12Å
114A77.1Confident71.7Confident2 Ų286.4 Ų86.42%0.01743%0.426CS..EExtended strand (participates in β ladder)trans-128.9145.3176.900000111.5C110 Y111 C122 R123 Y131C110-A114 HydrophobicContact CB-CB 3.98Å; C110-A114 WeakPolarHBondContact CB-O 3.38Å; Y111-A114 HydrophobicContact CD1-CB 4.46Å; Y111-A114 HydrophobicContact CD2-CB 4.28Å; Y111-A114 HydrophobicContact CE1-CB 4.1Å; Y111-A114 HydrophobicContact CE2-CB 3.91Å; Y111-A114 PolarHBondContact O-N 3.11Å; A114-C122 HydrophobicContact CB-CB 4.28Å; A114-R123 CarbonylContact C-O 3.55Å; A114-R123 VanDerWaalsContact CA-O 3.26Å; A114-R123 WeakPolarHBondContact CA-O 3.49Å; A114-R123 WeakPolarHBondContact CB-O 3.48Å; A114-Y131 WeakPolarHBondContact O-CE2 3.47Å
115T81.9Confident72.6Confident24 Ų2483.5 Ų83.515%0.14741%0.413CS..EExtended strand (participates in β ladder)trans-110148.9176.655.40000110.7V117 R123 Y131 C138T115-V117 PolarHBondContact O-N 2.84Å; T115-R123 PolarHBondContact N-O 2.93Å; T115-R123 PolarHBondContact O-N 3.23Å; T115-Y131 HydrophobicContact CG2-CD2 4.28Å; T115-Y131 HydrophobicContact CG2-CE2 4.16Å; T115-C138 HydrophobicContact CG2-CB 4.38Å; T115-C138 WeakPolarHBondContact CG2-SG 3.46Å
116L76.6Confident73.6Confident82 Ų8279.9 Ų79.943%0.42940%0.397SS..EExtended strand (participates in β ladder)trans-68.2127.3172.6-159.485000110F108 K121F108-L116 HydrophobicContact CB-CD1 3.54Å; L116-K121 CarbonylContact C-O 3.55Å; L116-K121 WeakPolarHBondContact CA-O 3.19Å
117V72.2Confident74.6Confident31 Ų3176.1 Ų76.119%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-125.9139.9176.3-174.90000107.2T115 T119 K121 R123T115-V117 PolarHBondContact O-N 2.84Å; V117-T119 PolarHBondContact O-N 2.81Å; V117-T119 VanDerWaalsContact O-N 3.11Å; V117-K121 PolarHBondContact N-O 3.12Å; V117-K121 WeakPolarHBondContact O-CB 3.17Å; V117-K121 PolarHBondContact O-N 2.96Å; V117-K121 VanDerWaalsContact O-O 3.14Å; V117-R123 HydrophobicContact CB-CB 4.5Å; V117-R123 HydrophobicContact CG2-CB 3.62Å
118D68.5Low75.4Confident117 Ų11772.9 Ų72.963%0.62635%0.354SS*.THydrogen-bonded Turntrans54.529.7179-54.6-29.5000114.6D120D118-D120 PolarHBondContact O-N 2.83Å
119T65.5Low76.4Confident113 Ų11370.1 Ų70.169%0.69334%0.344SS*.THydrogen-bonded Turntrans68.3-16.6177.464.80000117.5F108 V117F108-T119 WeakPolarHBondContact CD2-O 3.33Å; V117-T119 PolarHBondContact O-N 2.81Å; V117-T119 VanDerWaalsContact O-N 3.11Å
120D66.4Low77.4Confident73 Ų7364.2 Ų64.239%0.3932%0.319SS..THydrogen-bonded Turntrans-135.8-3-175.769.2-14.6000115F108 D118F108-D120 HydrophobicContact CE2-CB 4.47Å; F108-D120 HydrophobicContact CZ-CB 4.46Å; D118-D120 PolarHBondContact O-N 2.83Å
121K69Low78.2Confident122 Ų12264.1 Ų64.153%0.5332%0.315SS..EExtended strand (participates in β ladder)trans-115.6139-177.5-70.6166.6-164.2168.60112.3L116 V117L116-K121 CarbonylContact C-O 3.55Å; L116-K121 WeakPolarHBondContact CA-O 3.19Å; V117-K121 PolarHBondContact N-O 3.12Å; V117-K121 WeakPolarHBondContact O-CB 3.17Å; V117-K121 PolarHBondContact O-N 2.96Å; V117-K121 VanDerWaalsContact O-O 3.14Å
122C74.6Confident78.9Confident60 Ų6059.7 Ų59.741%0.40530%0.3SS..EExtended strand (participates in β ladder)trans-96.3122171.8-64.70000110.5C110 Y111 A114C110-C122 WeakPolarHBondContact CA-SG 3Å; C110-C122 HydrophobicContact CB-CB 3.76Å; C110-C122 WeakPolarHBondContact CB-SG 3.16Å; C110-C122 WeakPolarHBondContact SG-CA 2.98Å; C110-C122 WeakPolarHBondContact SG-CB 3.43Å; C110-C122 CovalentContact SG-SG 2.03Å; C110-C122 PolarHBondContact SG-SG 3.38Å; Y111-C122 HydrophobicContact CE1-CB 4.49Å; A114-C122 HydrophobicContact CB-CB 4.28Å
123R80.2Confident79.3Confident150 Ų15056 Ų5657%0.56629%0.291SS*.EExtended strand (participates in β ladder)trans-111.5126.3172.3-171.3171.962.5-174-3.2109.6A114 T115 V117A114-R123 CarbonylContact C-O 3.55Å; A114-R123 VanDerWaalsContact CA-O 3.26Å; A114-R123 WeakPolarHBondContact CA-O 3.49Å; A114-R123 WeakPolarHBondContact CB-O 3.48Å; T115-R123 PolarHBondContact N-O 2.93Å; T115-R123 PolarHBondContact O-N 3.23Å; V117-R123 HydrophobicContact CB-CB 4.5Å; V117-R123 HydrophobicContact CG2-CB 3.62Å
124L81.8Confident79.6Confident66 Ų6662.2 Ų62.235%0.34633%0.329SS..EExtended strand (participates in β ladder)trans-56.8143.2171.2-73.5160.3000110.5Y111 T126 H150Y111-L124 HydrophobicContact CE2-CD2 3.53Å; Y111-L124 HydrophobicContact CE2-CG 4.45Å; Y111-L124 WeakPolarHBondContact OH-CD2 3.36Å; Y111-L124 WeakPolarHBondContact OH-CG 3.48Å; L124-T126 PolarHBondContact O-N 3.49Å; L124-H150 HydrophobicContact CB-CB 4.18Å; L124-H150 HydrophobicContact CD1-CB 4.27Å
125C86Confident79.7Confident1 Ų166.9 Ų66.91%0.00735%0.353CS..PPolyproline II helixtrans-57126.9167.7-64.40000109.4G113 T129 C138 H150 G151G113-C125 PolarHBondContact O-N 3.49Å; G113-C125 PolarHBondContact O-SG 3.29Å; C125-T129 WeakPolarHBondContact CB-OG1 3.47Å; C125-C138 WeakPolarHBondContact CA-SG 3.36Å; C125-C138 HydrophobicContact CB-CB 3.84Å; C125-C138 WeakPolarHBondContact CB-SG 3.36Å; C125-C138 WeakPolarHBondContact SG-CB 3.21Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.85Å; C125-H150 CarbonylContact O-C 3.57Å; C125-H150 WeakPolarHBondContact O-CA 3.06Å; C125-G151 PolarHBondContact O-N 2.72Å
126T86.7Confident79.5Confident72 Ų7272 Ų7244%0.44238%0.376SS..PPolyproline II helixtrans-71.4158.7-178.249.60000110.7L124 G128 T129L124-T126 PolarHBondContact O-N 3.49Å; T126-G128 PolarHBondContact O-N 3.04Å; T126-T129 PolarHBondContact N-OG1 2.75Å; T126-T129 PolarHBondContact O-N 3.06Å; T126-T129 PolarHBondContact O-OG1 3.47Å
127P88.1Confident79.9Confident22 Ų2274.6 Ų74.614%0.14338%0.384CS..THydrogen-bonded Turntrans-50.2140.9171.3-27.836.5000111T129 Q147 H150 Q170P127-T129 VanDerWaalsContact C-N 3.32Å; P127-Q147 CarbonylContact C-O 3.46Å; P127-Q147 WeakPolarHBondContact CA-O 3.45Å; P127-Q147 WeakPolarHBondContact CB-O 3.18Å; P127-H150 VanDerWaalsContact CD-CE1 3.48Å; P127-H150 WeakPolarHBondContact CD-CE1 3.08Å; P127-H150 WeakPolarHBondContact CD-NE2 3.37Å; P127-H150 WeakPolarHBondContact CG-CE1 3.29Å; P127-Q170 HydrophobicContact CB-CB 4.2Å; P127-Q170 HydrophobicContact CB-CG 4.17Å
128G86.3Confident80.6Confident1 Ų175.1 Ų75.11%0.0139%0.388CS..THydrogen-bonded Turntrans83.11-170.600000114.4T126 P140 C141 Q147 G168 T169T126-G128 PolarHBondContact O-N 3.04Å; G128-P140 WeakPolarHBondContact O-CA 3.17Å; G128-C141 PolarHBondContact O-N 2.99Å; G128-Q147 PolarHBondContact N-O 3.11Å; G128-G168 WeakPolarHBondContact CA-O 3.44Å; G128-G168 WeakPolarHBondContact O-CA 3.38Å; G128-T169 WeakPolarHBondContact CA-O 3.26Å
129T89.4Confident81.6Confident22 Ų2271.3 Ų71.314%0.13537%0.369CS..EExtended strand (participates in β ladder)trans-125.3148.117464.80000111.1C125 T126 P127 V139C125-T129 WeakPolarHBondContact CB-OG1 3.47Å; T126-T129 PolarHBondContact N-OG1 2.75Å; T126-T129 PolarHBondContact O-N 3.06Å; T126-T129 PolarHBondContact O-OG1 3.47Å; P127-T129 VanDerWaalsContact C-N 3.32Å; T129-V139 CarbonylContact C-O 3.55Å; T129-V139 WeakPolarHBondContact CA-O 3.4Å; T129-V139 WeakPolarHBondContact CB-O 3.32Å
130M89.1Confident82.7Confident42 Ų4269.5 Ų69.521%0.20736%0.359CS..EExtended strand (participates in β ladder)trans-113.4150.4168.955176.7-94.200110.1D132 C138 V139 R152 C155M130-D132 PolarHBondContact O-N 2.81Å; M130-C138 CarbonylContact O-C 3.5Å; M130-C138 WeakPolarHBondContact O-CA 3.43Å; M130-V139 HydrophobicContact CE-CG2 4.32Å; M130-V139 HydrophobicContact CG-CG2 3.66Å; M130-V139 PolarHBondContact N-O 2.83Å; M130-V139 PolarHBondContact O-N 3.25Å; M130-V139 HydrophobicContact SD-CG2 4.48Å; M130-R152 WeakPolarHBondContact CA-O 3.31Å; M130-C155 VanDerWaalsContact CB-SG 3.57Å
131Y87.1Confident83.8Confident26 Ų2666 Ų6610%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-80.4116.8172.8-176.4-96.9000110.5A114 T115 E133 R152 T153A114-Y131 WeakPolarHBondContact O-CE2 3.47Å; T115-Y131 HydrophobicContact CG2-CD2 4.28Å; T115-Y131 HydrophobicContact CG2-CE2 4.16Å; Y131-E133 HydrophobicContact CD1-CG 4.27Å; Y131-E133 HydrophobicContact CE1-CG 4.27Å; Y131-R152 PolarHBondContact N-O 2.04Å; Y131-T153 HydrophobicContact CD1-CG2 4.33Å
132D84.9Confident84.7Confident41 Ų4162.8 Ų62.822%0.21933%0.332CS..EExtended strand (participates in β ladder)trans-82.5119.6172.1-163.4-43.3000109.5M130 V134 D135 E136 K137 V139M130-D132 PolarHBondContact O-N 2.81Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 3.49Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 PolarHBondContact OD1-N 3.13Å; D132-D135 HydrophobicContact CB-CB 4.39Å; D132-D135 PolarHBondContact OD1-N 2.84Å; D132-E136 VanDerWaalsContact O-CA 3.32Å; D132-E136 WeakPolarHBondContact O-CA 2.99Å; D132-E136 PolarHBondContact O-N 2.8Å; D132-K137 PolarHBondContact N-O 2.65Å; D132-K137 PolarHBondContact O-N 2.98Å; D132-V139 HydrophobicContact CB-CG1 4.02Å; D132-V139 HydrophobicContact CB-CG2 4.02Å
133E80.6Confident85.2Confident110 Ų11063.9 Ų63.951%0.51433%0.327SS..THydrogen-bonded Turntrans-73-19.6179.3-66.5-161.6140.800113.2R112 Y131R112-E133 IonicContact CZ-OE1 3.79Å; R112-E133 IonicContact NE-OE1 2.69Å; R112-E133 PolarHBondContact NE-OE1 2.98Å; R112-E133 IonicContact NH2-OE1 2.73Å; Y131-E133 HydrophobicContact CD1-CG 4.27Å; Y131-E133 HydrophobicContact CE1-CG 4.27Å
134V80.6Confident85.3Confident130 Ų13057.5 Ų57.579%0.78831%0.309SS*.THydrogen-bonded Turntrans-82.7-46.3-179.9-176.90000110.5D132D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 3.49Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 PolarHBondContact OD1-N 3.13Å
135D77.9Confident85.6Confident100 Ų10057.1 Ų57.154%0.53531%0.305SS..THydrogen-bonded Turntrans-92-3.7-177.3-76.8-41.5000113.6D132 K137D132-D135 HydrophobicContact CB-CB 4.39Å; D132-D135 PolarHBondContact OD1-N 2.84Å; D135-K137 HydrophobicContact CB-CB 4.47Å; D135-K137 VanDerWaalsContact O-CG 3.31Å; D135-K137 WeakPolarHBondContact O-CG 3.28Å; D135-K137 PolarHBondContact O-N 2.95Å; D135-K137 VanDerWaalsContact O-N 3.15Å
136E78Confident85.8Confident132 Ų13257.7 Ų57.762%0.61731%0.307SS*.THydrogen-bonded Turntrans49.735.1-175.5-62.5-175167.900113.1D132D132-E136 VanDerWaalsContact O-CA 3.32Å; D132-E136 WeakPolarHBondContact O-CA 2.99Å; D132-E136 PolarHBondContact O-N 2.8Å
137K84.4Confident86Confident136 Ų13654.2 Ų54.259%0.59129%0.286SS*.EExtended strand (participates in β ladder)trans-134.8152.6-172.6-77.1170.3-170.71720111.9D132 D135 V139D132-K137 PolarHBondContact N-O 2.65Å; D132-K137 PolarHBondContact O-N 2.98Å; D135-K137 HydrophobicContact CB-CB 4.47Å; D135-K137 VanDerWaalsContact O-CG 3.31Å; D135-K137 WeakPolarHBondContact O-CG 3.28Å; D135-K137 PolarHBondContact O-N 2.95Å; D135-K137 VanDerWaalsContact O-N 3.15Å; K137-V139 PolarHBondContact O-N 3.2Å
138C87.3Confident86Confident42 Ų4256.8 Ų56.828%0.28430%0.299SS..EExtended strand (participates in β ladder)trans-76.8113.2170.1-55.90000109.3T115 C125 M130T115-C138 HydrophobicContact CG2-CB 4.38Å; T115-C138 WeakPolarHBondContact CG2-SG 3.46Å; C125-C138 WeakPolarHBondContact CA-SG 3.36Å; C125-C138 HydrophobicContact CB-CB 3.84Å; C125-C138 WeakPolarHBondContact CB-SG 3.36Å; C125-C138 WeakPolarHBondContact SG-CB 3.21Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.85Å; M130-C138 CarbonylContact O-C 3.5Å; M130-C138 WeakPolarHBondContact O-CA 3.43Å
139V90Very high85.9Confident37 Ų3760.6 Ų60.622%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-103144.1175.2-61.40000109.9T129 M130 D132 K137T129-V139 CarbonylContact C-O 3.55Å; T129-V139 WeakPolarHBondContact CA-O 3.4Å; T129-V139 WeakPolarHBondContact CB-O 3.32Å; M130-V139 HydrophobicContact CE-CG2 4.32Å; M130-V139 HydrophobicContact CG-CG2 3.66Å; M130-V139 PolarHBondContact N-O 2.83Å; M130-V139 PolarHBondContact O-N 3.25Å; M130-V139 HydrophobicContact SD-CG2 4.48Å; D132-V139 HydrophobicContact CB-CG1 4.02Å; D132-V139 HydrophobicContact CB-CG2 4.02Å; K137-V139 PolarHBondContact O-N 3.2Å
140P89.4Confident85.7Confident74 Ų7464.9 Ų64.948%0.48134%0.335SS..EExtended strand (participates in β ladder)trans-65142.8177.727-33.5000111.1G128G128-P140 WeakPolarHBondContact O-CA 3.17Å
141C89.6Confident85.3Confident0 Ų063.6 Ų63.60%033%0.332CS..PPolyproline II helixtrans-56.1135.8177.2-68.40000111.2G128 E145 Q147 C155 T167 G168G128-C141 PolarHBondContact O-N 2.99Å; C141-E145 HydrophobicContact CB-CB 4.49Å; C141-Q147 WeakPolarHBondContact SG-CB 3.5Å; C141-C155 WeakPolarHBondContact CA-SG 3.12Å; C141-C155 HydrophobicContact CB-CB 3.76Å; C141-C155 WeakPolarHBondContact CB-SG 3.31Å; C141-C155 WeakPolarHBondContact SG-CB 3.34Å; C141-C155 CovalentContact SG-SG 2.03Å; C141-C155 PolarHBondContact SG-SG 3.18Å; C141-T167 CarbonylContact O-C 3.57Å; C141-T167 VanDerWaalsContact O-CA 3.28Å; C141-T167 WeakPolarHBondContact O-CA 3.23Å; C141-T167 WeakPolarHBondContact O-CB 3.34Å; C141-G168 PolarHBondContact O-N 3.31Å
142P87.1Confident85.2Confident55 Ų5567.6 Ų67.636%0.35735%0.347SS..PPolyproline II helixtrans-65.3164.8176.829.5-34.8000110.9G144 E145P142-G144 PolarHBondContact O-N 2.95Å; P142-E145 HydrophobicContact CG-CB 4.31Å; P142-E145 HydrophobicContact CG-CG 4.17Å; P142-E145 WeakPolarHBondContact CG-OE2 3.08Å; P142-E145 PolarHBondContact O-N 2.03Å; P142-E145 VanDerWaalsContact O-N 3.13Å
143R83.9Confident85.1Confident82 Ų8268.4 Ų68.431%0.30935%0.354SS..THydrogen-bonded Turntrans-65.4136.2-177.9-134.8-177.5-171.2142.6-5.1110.8E145 T164 V165 D207R143-E145 VanDerWaalsContact C-N 3.32Å; R143-T164 WeakPolarHBondContact CA-OG1 3.31Å; R143-T164 WeakPolarHBondContact CG-O 3.36Å; R143-T164 PolarHBondContact NE-O 2.79Å; R143-V165 PolarHBondContact NE-O 2.78Å; R143-V165 PolarHBondContact NH2-O 3.34Å; R143-D207 IonicContact CZ-OD1 2.59Å; R143-D207 IonicContact NH1-OD1 3.44Å; R143-D207 VanDerWaalsContact NH2-CB 3.3Å; R143-D207 IonicContact NH2-OD1 3.61Å; R143-D207 PolarHBondContact NH2-OD1 3.23Å; R143-D207 IonicContact NH2-OD2 3.78Å
144G82.8Confident85.4Confident17 Ų1767.3 Ų67.318%0.17536%0.355CS..THydrogen-bonded Turntrans89.8-3-172.700000114P142 C158 T164P142-G144 PolarHBondContact O-N 2.95Å; G144-C158 PolarHBondContact O-N 2.8Å; G144-T164 PolarHBondContact N-OG1 2.76Å
145E88.9Confident85.8Confident57 Ų5761.9 Ų61.927%0.26632%0.322SS..EExtended strand (participates in β ladder)trans-123147175.7-57.1-177.9-170.200111.1C141 P142 R143 C155 K156 T157C141-E145 HydrophobicContact CB-CB 4.49Å; P142-E145 HydrophobicContact CG-CB 4.31Å; P142-E145 HydrophobicContact CG-CG 4.17Å; P142-E145 WeakPolarHBondContact CG-OE2 3.08Å; P142-E145 PolarHBondContact O-N 2.03Å; P142-E145 VanDerWaalsContact O-N 3.13Å; R143-E145 VanDerWaalsContact C-N 3.32Å; E145-C155 HydrophobicContact CB-CB 3.62Å; E145-C155 VanDerWaalsContact OE2-CB 3.31Å; E145-C155 WeakPolarHBondContact OE2-CB 3.43Å; E145-K156 CarbonylContact C-O 3.46Å; E145-K156 VanDerWaalsContact CA-O 3.23Å; E145-K156 WeakPolarHBondContact CA-O 3.44Å; E145-T157 HydrophobicContact CG-CG2 4.28Å
146F90.3Very high86.4Confident13 Ų1360.1 Ų60.16%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-131.7156.1178.370.7-85.4000110.8K156 T169 K172F146-K156 HydrophobicContact CD1-CB 4.39Å; F146-K156 WeakPolarHBondContact CD1-O 3.22Å; F146-K156 HydrophobicContact CD2-CB 4.46Å; F146-K156 HydrophobicContact CE1-CB 4.02Å; F146-K156 HydrophobicContact CE2-CB 4.09Å; F146-K156 HydrophobicContact CE2-CD 4.08Å; F146-K156 HydrophobicContact CZ-CB 3.86Å; F146-K156 HydrophobicContact CZ-CD 4.33Å; F146-K156 PolarHBondContact N-O 3.44Å; F146-K156 WeakPolarHBondContact O-CA 3.35Å; F146-K156 WeakPolarHBondContact O-CB 3.37Å; F146-K156 PolarHBondContact O-N 2.71Å; F146-T169 CarbonylContact C-O 3.53Å; F146-T169 WeakPolarHBondContact CA-O 3.48Å; F146-T169 HydrophobicContact CB-CG2 3.74Å; F146-K172 HydrophobicContact CD2-CB 4.34Å; F146-K172 HydrophobicContact CE1-CB 4.32Å; F146-K172 HydrophobicContact CE1-CG 4.12Å; F146-K172 HydrophobicContact CE2-CB 3.74Å; F146-K172 HydrophobicContact CE2-CG 4.32Å; F146-K172 HydrophobicContact CZ-CB 3.72Å; F146-K172 HydrophobicContact CZ-CD 4.26Å; F146-K172 HydrophobicContact CZ-CG 3.77Å
147Q90.5Very high86.8Confident0 Ų058.7 Ų58.70%031%0.31CS..  trans-141.3113.4175.1-17756.9-100.100110.9P127 G128 C141 E149 R152 T154 T169 Q170P127-Q147 CarbonylContact C-O 3.46Å; P127-Q147 WeakPolarHBondContact CA-O 3.45Å; P127-Q147 WeakPolarHBondContact CB-O 3.18Å; G128-Q147 PolarHBondContact N-O 3.11Å; C141-Q147 WeakPolarHBondContact SG-CB 3.5Å; Q147-E149 VanDerWaalsContact CG-O 3.31Å; Q147-E149 WeakPolarHBondContact CG-O 3.42Å; Q147-R152 HydrophobicContact CG-CB 4.22Å; Q147-R152 HydrophobicContact CG-CG 4.37Å; Q147-R152 VanDerWaalsContact NE2-CB 3.26Å; Q147-T154 PolarHBondContact NE2-O 3.12Å; Q147-T169 PolarHBondContact N-O 2.79Å; Q147-Q170 CarbonylContact C-O 3.57Å; Q147-Q170 VanDerWaalsContact C-O 3.32Å; Q147-Q170 WeakPolarHBondContact O-CA 3.02Å
148D88.4Confident86.9Confident76 Ų7652.9 Ų52.941%0.40629%0.287SS..  trans-93.5-20.2179.155.7-33.1000113K156 Q170D148-K156 WeakPolarHBondContact OD1-CD 3.44Å; D148-K156 WeakPolarHBondContact OD1-CE 3.08Å; D148-K156 IonicContact OD1-NZ 3.75Å; D148-K156 PolarHBondContact OD1-NZ 3.42Å; D148-K156 IonicContact OD2-NZ 2.84Å; D148-K156 PolarHBondContact OD2-NZ 3.39Å; D148-Q170 WeakPolarHBondContact CA-O 3.42Å; D148-Q170 VanDerWaalsContact CB-O 3.27Å; D148-Q170 WeakPolarHBondContact CB-O 3.47Å; D148-Q170 PolarHBondContact N-O 3.5Å
149E84.5Confident86.7Confident81 Ų8153 Ų5338%0.37929%0.287SS..SBendtrans-99.3153.9-178.2-68.2167.3-150.900112.5Q147 R152 K156Q147-E149 VanDerWaalsContact CG-O 3.31Å; Q147-E149 WeakPolarHBondContact CG-O 3.42Å; E149-R152 HydrophobicContact CB-CG 3.78Å; E149-R152 IonicContact OE2-CZ 3.64Å; E149-R152 IonicContact OE2-NE 2.8Å; E149-R152 PolarHBondContact OE2-NE 2.86Å; E149-K156 IonicContact OE1-NZ 3.63Å; E149-K156 PolarHBondContact OE1-NZ 2.82Å
150H85.4Confident85.9Confident112 Ų11258 Ų5852%0.51931%0.313SS..THydrogen-bonded Turntrans-84.5147178.8-64.261.9000111L124 C125 P127 R152L124-H150 HydrophobicContact CB-CB 4.18Å; L124-H150 HydrophobicContact CD1-CB 4.27Å; C125-H150 CarbonylContact O-C 3.57Å; C125-H150 WeakPolarHBondContact O-CA 3.06Å; P127-H150 VanDerWaalsContact CD-CE1 3.48Å; P127-H150 WeakPolarHBondContact CD-CE1 3.08Å; P127-H150 WeakPolarHBondContact CD-NE2 3.37Å; P127-H150 WeakPolarHBondContact CG-CE1 3.29Å; H150-R152 VanDerWaalsContact C-N 3.32Å; H150-R152 PolarHBondContact O-N 3.35Å
151G80Confident85.1Confident15 Ų1559.9 Ų59.916%0.15533%0.327CS..THydrogen-bonded Turntrans63.629.5171.100000116G113 C125G113-G151 WeakPolarHBondContact CA-O 3.33Å; G113-G151 WeakPolarHBondContact O-CA 3.12Å; C125-G151 PolarHBondContact O-N 2.72Å
152R84.8Confident84.7Confident109 Ų10961 Ų6141%0.41133%0.334SS..  trans-83.8146.2175.5-59.4-68.3-76.5179.4-6.3110.4M130 Y131 Q147 E149 H150M130-R152 WeakPolarHBondContact CA-O 3.31Å; Y131-R152 PolarHBondContact N-O 2.04Å; Q147-R152 HydrophobicContact CG-CB 4.22Å; Q147-R152 HydrophobicContact CG-CG 4.37Å; Q147-R152 VanDerWaalsContact NE2-CB 3.26Å; E149-R152 HydrophobicContact CB-CG 3.78Å; E149-R152 IonicContact OE2-CZ 3.64Å; E149-R152 IonicContact OE2-NE 2.8Å; E149-R152 PolarHBondContact OE2-NE 2.86Å; H150-R152 VanDerWaalsContact C-N 3.32Å; H150-R152 PolarHBondContact O-N 3.35Å
153T82.9Confident84.5Confident59 Ų5959.4 Ų59.436%0.36232%0.323SS..SBendtrans-91.1-12.117752.30000112.9Y131Y131-T153 HydrophobicContact CD1-CG2 4.33Å
154T86Confident84.4Confident87 Ų8755.6 Ų55.653%0.53431%0.309SS..SBendtrans-137.2139.9-178.757.50000109.7Q147Q147-T154 PolarHBondContact NE2-O 3.12Å
155C89.5Confident84Confident15 Ų1556.8 Ų56.810%0.10131%0.313CS..PPolyproline II helixtrans-84.4155.3172.6-55.10000111.3M130 C141 E145M130-C155 VanDerWaalsContact CB-SG 3.57Å; C141-C155 WeakPolarHBondContact CA-SG 3.12Å; C141-C155 HydrophobicContact CB-CB 3.76Å; C141-C155 WeakPolarHBondContact CB-SG 3.31Å; C141-C155 WeakPolarHBondContact SG-CB 3.34Å; C141-C155 CovalentContact SG-SG 2.03Å; C141-C155 PolarHBondContact SG-SG 3.18Å; E145-C155 HydrophobicContact CB-CB 3.62Å; E145-C155 VanDerWaalsContact OE2-CB 3.31Å; E145-C155 WeakPolarHBondContact OE2-CB 3.43Å
156K90.1Very high83.5Confident63 Ų6355.2 Ų55.227%0.27431%0.312SS..EExtended strand (participates in β ladder)trans-86.4134.1178.1-62.2174.8-177.7169.20108.6E145 F146 D148 E149E145-K156 CarbonylContact C-O 3.46Å; E145-K156 VanDerWaalsContact CA-O 3.23Å; E145-K156 WeakPolarHBondContact CA-O 3.44Å; F146-K156 HydrophobicContact CD1-CB 4.39Å; F146-K156 WeakPolarHBondContact CD1-O 3.22Å; F146-K156 HydrophobicContact CD2-CB 4.46Å; F146-K156 HydrophobicContact CE1-CB 4.02Å; F146-K156 HydrophobicContact CE2-CB 4.09Å; F146-K156 HydrophobicContact CE2-CD 4.08Å; F146-K156 HydrophobicContact CZ-CB 3.86Å; F146-K156 HydrophobicContact CZ-CD 4.33Å; F146-K156 PolarHBondContact N-O 3.44Å; F146-K156 WeakPolarHBondContact O-CA 3.35Å; F146-K156 WeakPolarHBondContact O-CB 3.37Å; F146-K156 PolarHBondContact O-N 2.71Å; D148-K156 WeakPolarHBondContact OD1-CD 3.44Å; D148-K156 WeakPolarHBondContact OD1-CE 3.08Å; D148-K156 IonicContact OD1-NZ 3.75Å; D148-K156 PolarHBondContact OD1-NZ 3.42Å; D148-K156 IonicContact OD2-NZ 2.84Å; D148-K156 PolarHBondContact OD2-NZ 3.39Å; E149-K156 IonicContact OE1-NZ 3.63Å; E149-K156 PolarHBondContact OE1-NZ 2.82Å
157T87.6Confident83.2Confident103 Ų10359.2 Ų59.263%0.63234%0.338SS*.EExtended strand (participates in β ladder)trans-74.7141.6177.255.20000111.4E145E145-T157 HydrophobicContact CG-CG2 4.28Å
158C85.8Confident83Confident14 Ų1460.2 Ų60.210%0.09535%0.348CS..PPolyproline II helixtrans-63.5139.7172.1-77.90000111.7G144 T162 T164 C175G144-C158 PolarHBondContact O-N 2.8Å; C158-T162 WeakPolarHBondContact CB-O 3.15Å; C158-T162 WeakPolarHBondContact CB-OG1 3.17Å; C158-T164 VanDerWaalsContact SG-CG2 3.52Å; C158-C175 HydrophobicContact CB-CB 3.77Å; C158-C175 WeakPolarHBondContact CB-SG 3.45Å; C158-C175 WeakPolarHBondContact SG-CB 3.48Å; C158-C175 CovalentContact SG-SG 2.05Å; C158-C175 PolarHBondContact SG-SG 3.28Å
159P84.3Confident83Confident45 Ų4557.1 Ų57.129%0.29233%0.332SS..SBendtrans-73.116417832.7-38.4000112.8S161 T162P159-S161 PolarHBondContact O-N 2.83Å; P159-T162 WeakPolarHBondContact O-CB 3.37Å; P159-T162 PolarHBondContact O-N 3.47Å; P159-T162 PolarHBondContact O-OG1 3.19Å
160D71.8Confident83.1Confident142 Ų14258 Ų5876%0.75934%0.336SS*.THydrogen-bonded Turntrans55.539.3167.2-54.4-38.2000115.9T162D160-T162 PolarHBondContact O-N 3.29Å; D160-T162 VanDerWaalsContact O-N 3.12Å
161S73.4Confident83.1Confident113 Ų11358.3 Ų58.379%0.7934%0.336SS*.THydrogen-bonded Turntrans55.528.2-179.9620000114.3P159 V178P159-S161 PolarHBondContact O-N 2.83Å; S161-V178 WeakPolarHBondContact O-CG2 3.34Å
162T81.5Confident83.3Confident24 Ų2463 Ų6315%0.14735%0.352CS..  trans-86.5159.6173.359.40000111C158 P159 D160 C175 V176C158-T162 WeakPolarHBondContact CB-O 3.15Å; C158-T162 WeakPolarHBondContact CB-OG1 3.17Å; P159-T162 WeakPolarHBondContact O-CB 3.37Å; P159-T162 PolarHBondContact O-N 3.47Å; P159-T162 PolarHBondContact O-OG1 3.19Å; D160-T162 PolarHBondContact O-N 3.29Å; D160-T162 VanDerWaalsContact O-N 3.12Å; T162-C175 WeakPolarHBondContact OG1-CB 3.42Å; T162-V176 CarbonylContact C-O 3.45Å; T162-V176 WeakPolarHBondContact CA-O 3.47Å; T162-V176 WeakPolarHBondContact CB-O 3.48Å
163T82Confident83.2Confident21 Ų2165.2 Ų65.213%0.12937%0.367CS..EExtended strand (participates in β ladder)trans-125.5171.7177.9-165.10000111C175 V176 V178T163-C175 CarbonylContact O-C 3.5Å; T163-C175 WeakPolarHBondContact O-CA 3.15Å; T163-V176 HydrophobicContact CG2-CG2 4.41Å; T163-V176 PolarHBondContact N-O 3.45Å; T163-V176 VanDerWaalsContact O-CG2 3.29Å; T163-V176 WeakPolarHBondContact O-CG2 3.26Å; T163-V176 PolarHBondContact O-N 3.2Å; T163-V176 VanDerWaalsContact O-O 3.09Å; T163-V178 HydrophobicContact CG2-CG2 3.78Å
164T83.3Confident82.9Confident1 Ų166.6 Ų66.61%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-97.7149.4176.559.20000111.1R143 G144 C158 G166 T169R143-T164 WeakPolarHBondContact CA-OG1 3.31Å; R143-T164 WeakPolarHBondContact CG-O 3.36Å; R143-T164 PolarHBondContact NE-O 2.79Å; G144-T164 PolarHBondContact N-OG1 2.76Å; C158-T164 VanDerWaalsContact SG-CG2 3.52Å; T164-G166 WeakPolarHBondContact CB-O 3.35Å; T164-G166 PolarHBondContact O-N 2.98Å; T164-G166 PolarHBondContact OG1-O 3.44Å; T164-T169 WeakPolarHBondContact CB-OG1 3.21Å; T164-T169 HydrophobicContact CG2-CG2 3.7Å; T164-T169 WeakPolarHBondContact CG2-OG1 3.42Å
165V73.7Confident82.8Confident42 Ų4263.5 Ų63.526%0.25535%0.351SS..SBendtrans-59.3-31.2178.4-178.20000111.2R143 V176 Y185 D207R143-V165 PolarHBondContact NE-O 2.78Å; R143-V165 PolarHBondContact NH2-O 3.34Å; V165-V176 HydrophobicContact CG2-CG1 3.87Å; V165-V176 HydrophobicContact CG2-CG2 3.93Å; V165-Y185 HydrophobicContact CG2-CD1 3.91Å; V165-Y185 HydrophobicContact CG2-CE1 3.86Å; V165-D207 HydrophobicContact CG1-CB 4.06Å; V165-D207 WeakPolarHBondContact O-CB 3.46Å
166G77.1Confident82.4Confident24 Ų2463.6 Ų63.625%0.24735%0.351CS..SBendtrans-157.4-174.2176.100000112.2T164 T169T164-G166 WeakPolarHBondContact CB-O 3.35Å; T164-G166 PolarHBondContact O-N 2.98Å; T164-G166 PolarHBondContact OG1-O 3.44Å; G166-T169 PolarHBondContact O-OG1 2.97Å
167T85.6Confident81.9Confident98 Ų9867.5 Ų67.560%0.60137%0.37SS*.SBendtrans-71.5150.4171.952.80000110.6C141C141-T167 CarbonylContact O-C 3.57Å; C141-T167 VanDerWaalsContact O-CA 3.28Å; C141-T167 WeakPolarHBondContact O-CA 3.23Å; C141-T167 WeakPolarHBondContact O-CB 3.34Å
168G85.3Confident81.7Confident21 Ų2165.8 Ų65.822%0.21636%0.359CS..SBendtrans77.734.2173.600000115.5G128 C141G128-G168 WeakPolarHBondContact CA-O 3.44Å; G128-G168 WeakPolarHBondContact O-CA 3.38Å; C141-G168 PolarHBondContact O-N 3.31Å
169T87.7Confident81.6Confident10 Ų1065.2 Ų65.26%0.06136%0.355CS..BIsolated β-bridgetrans-70.3133.5179.8-64.80000110.9G128 F146 Q147 T164 G166 K171 Q174G128-T169 WeakPolarHBondContact CA-O 3.26Å; F146-T169 CarbonylContact C-O 3.53Å; F146-T169 WeakPolarHBondContact CA-O 3.48Å; F146-T169 HydrophobicContact CB-CG2 3.74Å; Q147-T169 PolarHBondContact N-O 2.79Å; T164-T169 WeakPolarHBondContact CB-OG1 3.21Å; T164-T169 HydrophobicContact CG2-CG2 3.7Å; T164-T169 WeakPolarHBondContact CG2-OG1 3.42Å; G166-T169 PolarHBondContact O-OG1 2.97Å; T169-K171 WeakPolarHBondContact CG2-O 3.48Å; T169-Q174 HydrophobicContact CG2-CB 3.56Å
170Q87.6Confident81.8Confident99 Ų9966.4 Ų66.446%0.46336%0.363SS..  trans-97.7-26.3-172.8-57.3-175.910.300113P127 Q147 D148P127-Q170 HydrophobicContact CB-CB 4.2Å; P127-Q170 HydrophobicContact CB-CG 4.17Å; Q147-Q170 CarbonylContact C-O 3.57Å; Q147-Q170 VanDerWaalsContact C-O 3.32Å; Q147-Q170 WeakPolarHBondContact O-CA 3.02Å; D148-Q170 WeakPolarHBondContact CA-O 3.42Å; D148-Q170 VanDerWaalsContact CB-O 3.27Å; D148-Q170 WeakPolarHBondContact CB-O 3.47Å; D148-Q170 PolarHBondContact N-O 3.5Å
171K85.2Confident82.6Confident119 Ų11962.1 Ų62.152%0.51734%0.344SS..  trans-128.8147.8-168-69.3-170.6-178.1-175.80111.6T169 E173 Q174T169-K171 WeakPolarHBondContact CG2-O 3.48Å; K171-E173 VanDerWaalsContact C-N 3.26Å; K171-E173 WeakPolarHBondContact CB-OE2 3.21Å; K171-E173 PolarHBondContact O-N 2.9Å; K171-Q174 HydrophobicContact CB-CG 4.31Å; K171-Q174 WeakPolarHBondContact O-CB 3.1Å; K171-Q174 PolarHBondContact O-N 3.27Å
172K84.3Confident83.2Confident113 Ų11356.8 Ų56.849%0.49131%0.307SS..G310 helixtrans-64.1-31.6176.8-171-178.9178.1-174.70112.2F146 Q174 C175F146-K172 HydrophobicContact CD2-CB 4.34Å; F146-K172 HydrophobicContact CE1-CB 4.32Å; F146-K172 HydrophobicContact CE1-CG 4.12Å; F146-K172 HydrophobicContact CE2-CB 3.74Å; F146-K172 HydrophobicContact CE2-CG 4.32Å; F146-K172 HydrophobicContact CZ-CB 3.72Å; F146-K172 HydrophobicContact CZ-CD 4.26Å; F146-K172 HydrophobicContact CZ-CG 3.77Å; K172-Q174 PolarHBondContact O-N 2.8Å; K172-Q174 VanDerWaalsContact O-N 3.14Å; K172-C175 VanDerWaalsContact O-CB 3.28Å; K172-C175 WeakPolarHBondContact O-CB 3.06Å; K172-C175 PolarHBondContact O-N 3.12Å; K172-C175 PolarHBondContact O-SG 3.19Å
173E82.4Confident83.6Confident156 Ų15659.1 Ų59.173%0.72931%0.313SS*.G310 helixtrans-70-9-179.5-57.371.6-140.400113K171 C175K171-E173 VanDerWaalsContact C-N 3.26Å; K171-E173 WeakPolarHBondContact CB-OE2 3.21Å; K171-E173 PolarHBondContact O-N 2.9Å; E173-C175 VanDerWaalsContact C-N 3.34Å
174Q77.9Confident83.8Confident89 Ų8958.7 Ų58.742%0.41631%0.31SS..G310 helixtrans-92.83.6175.1-64.7175.2-1100112.4T169 K171 K172T169-Q174 HydrophobicContact CG2-CB 3.56Å; K171-Q174 HydrophobicContact CB-CG 4.31Å; K171-Q174 WeakPolarHBondContact O-CB 3.1Å; K171-Q174 PolarHBondContact O-N 3.27Å; K172-Q174 PolarHBondContact O-N 2.8Å; K172-Q174 VanDerWaalsContact O-N 3.14Å
175C83.5Confident84Confident22 Ų2260.1 Ų60.115%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-73.5121.2166.4-62.50000109.2C158 T162 T163 K172 E173C158-C175 HydrophobicContact CB-CB 3.77Å; C158-C175 WeakPolarHBondContact CB-SG 3.45Å; C158-C175 WeakPolarHBondContact SG-CB 3.48Å; C158-C175 CovalentContact SG-SG 2.05Å; C158-C175 PolarHBondContact SG-SG 3.28Å; T162-C175 WeakPolarHBondContact OG1-CB 3.42Å; T163-C175 CarbonylContact O-C 3.5Å; T163-C175 WeakPolarHBondContact O-CA 3.15Å; K172-C175 VanDerWaalsContact O-CB 3.28Å; K172-C175 WeakPolarHBondContact O-CB 3.06Å; K172-C175 PolarHBondContact O-N 3.12Å; K172-C175 PolarHBondContact O-SG 3.19Å; E173-C175 VanDerWaalsContact C-N 3.34Å
176V81.1Confident84.5Confident16 Ų1659.3 Ų59.310%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-119.1157.7-174.8-610000110.9T162 T163 V165 Y185T162-V176 CarbonylContact C-O 3.45Å; T162-V176 WeakPolarHBondContact CA-O 3.47Å; T162-V176 WeakPolarHBondContact CB-O 3.48Å; T163-V176 HydrophobicContact CG2-CG2 4.41Å; T163-V176 PolarHBondContact N-O 3.45Å; T163-V176 VanDerWaalsContact O-CG2 3.29Å; T163-V176 WeakPolarHBondContact O-CG2 3.26Å; T163-V176 PolarHBondContact O-N 3.2Å; T163-V176 VanDerWaalsContact O-O 3.09Å; V165-V176 HydrophobicContact CG2-CG1 3.87Å; V165-V176 HydrophobicContact CG2-CG2 3.93Å; V176-Y185 HydrophobicContact CB-CD2 4.15Å; V176-Y185 HydrophobicContact CB-CE1 4.09Å; V176-Y185 HydrophobicContact CB-CE2 3.71Å; V176-Y185 HydrophobicContact CG1-CD1 4.46Å; V176-Y185 HydrophobicContact CG1-CE1 3.68Å; V176-Y185 HydrophobicContact CG1-CE2 4.02Å; V176-Y185 VanDerWaalsContact CG1-CZ 3.42Å; V176-Y185 WeakPolarHBondContact CG1-OH 3.09Å; V176-Y185 HydrophobicContact CG2-CD1 4.21Å; V176-Y185 HydrophobicContact CG2-CD2 4.2Å; V176-Y185 HydrophobicContact CG2-CE1 4.24Å; V176-Y185 HydrophobicContact CG2-CE2 4.25Å; V176-Y185 HydrophobicContact CG2-CG 4.18Å
177H79.1Confident84.5Confident146 Ų14662.7 Ų62.768%0.67633%0.326SS*.  trans-62.1142.5177.8-72.7-68.6000112.2C179H177-C179 PolarHBondContact O-N 2.61Å
178V82.8Confident84.4Confident67 Ų6763 Ų6341%0.40633%0.332SS..  trans-72.3110.9176.5176.50000109.2S161 T163S161-V178 WeakPolarHBondContact O-CG2 3.34Å; T163-V178 HydrophobicContact CG2-CG2 3.78Å
179C85.1Confident84.2Confident1 Ų164.4 Ų64.41%0.00734%0.338CS..PPolyproline II helixtrans-70.5137.1173.2-60.70000111H177 C192 S204 G205H177-C179 PolarHBondContact O-N 2.61Å; C179-C192 WeakPolarHBondContact CA-SG 3.39Å; C179-C192 HydrophobicContact CB-CB 3.77Å; C179-C192 WeakPolarHBondContact CB-SG 3.45Å; C179-C192 WeakPolarHBondContact SG-CA 3.07Å; C179-C192 WeakPolarHBondContact SG-CB 3.21Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.05Å; C179-S204 CarbonylContact O-C 3.51Å; C179-S204 WeakPolarHBondContact O-CA 3.29Å; C179-S204 WeakPolarHBondContact O-CB 3.34Å; C179-G205 PolarHBondContact O-N 3.07Å
180P87.3Confident83.8Confident70 Ų7071.6 Ų71.646%0.45537%0.368SS..PPolyproline II helixtrans-66.7165.6176.926.8-31.7000111.3Y183P180-Y183 HydrophobicContact CB-CD2 4.48Å; P180-Y183 HydrophobicContact CG-CD2 3.68Å; P180-Y183 HydrophobicContact CG-CE2 4.18Å; P180-Y183 HydrophobicContact CG-CG 4.12Å; P180-Y183 WeakPolarHBondContact O-CB 3.22Å; P180-Y183 PolarHBondContact O-N 3.24Å; P180-Y183 VanDerWaalsContact O-N 3.13Å
181S88.3Confident83.6Confident53 Ų5373.2 Ų73.237%0.37138%0.378SS..THydrogen-bonded Turntrans-54.8141.2173.355.90000111Y183S181-Y183 VanDerWaalsContact C-N 3.28Å
182G86.8Confident83.7Confident0 Ų069.8 Ų69.80%037%0.368CS..THydrogen-bonded Turntrans86.2-5.2-174.300000114.2C195 Q201G182-C195 PolarHBondContact O-N 3.32Å; G182-Q201 PolarHBondContact N-O 2.04Å
183Y89.1Confident83.8Confident73 Ų7367.3 Ų67.329%0.28636%0.358SS..EExtended strand (participates in β ladder)trans-120152.6177.3-63.5-107.2000110.4P180 S181 C192 E193 T194 N222P180-Y183 HydrophobicContact CB-CD2 4.48Å; P180-Y183 HydrophobicContact CG-CD2 3.68Å; P180-Y183 HydrophobicContact CG-CE2 4.18Å; P180-Y183 HydrophobicContact CG-CG 4.12Å; P180-Y183 WeakPolarHBondContact O-CB 3.22Å; P180-Y183 PolarHBondContact O-N 3.24Å; P180-Y183 VanDerWaalsContact O-N 3.13Å; S181-Y183 VanDerWaalsContact C-N 3.28Å; Y183-C192 HydrophobicContact CD1-CB 4.34Å; Y183-E193 CarbonylContact C-O 3.47Å; Y183-E193 WeakPolarHBondContact CA-O 3.09Å; Y183-E193 WeakPolarHBondContact CB-O 3.44Å; Y183-T194 HydrophobicContact CD1-CG2 4.27Å; Y183-T194 HydrophobicContact CE1-CG2 3.79Å; Y183-N222 HydrophobicContact CE2-CB 3.94Å
184F87.8Confident84.1Confident12 Ų1262 Ų625%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-126150.8171.276-77000109.4D186 C192 E193 T194 Q206 D207 C209F184-D186 HydrophobicContact CE2-CB 3.83Å; F184-D186 HydrophobicContact CZ-CB 4.23Å; F184-D186 PolarHBondContact O-N 3.39Å; F184-C192 WeakPolarHBondContact O-CA 3.21Å; F184-E193 HydrophobicContact CD1-CB 4.33Å; F184-E193 WeakPolarHBondContact CD1-O 3.48Å; F184-E193 HydrophobicContact CE1-CB 3.59Å; F184-E193 HydrophobicContact CZ-CB 3.68Å; F184-E193 PolarHBondContact N-O 2.85Å; F184-E193 PolarHBondContact O-N 3.07Å; F184-T194 WeakPolarHBondContact CE1-O 3.24Å; F184-Q206 CarbonylContact C-O 3.56Å; F184-Q206 VanDerWaalsContact CA-O 3.28Å; F184-Q206 WeakPolarHBondContact CA-O 3.44Å; F184-D207 WeakPolarHBondContact CD2-O 3.5Å; F184-C209 WeakPolarHBondContact CD1-SG 3.27Å
185Y85.7Confident84.5Confident31 Ų3157.9 Ų57.912%0.12232%0.317CS..EExtended strand (participates in β ladder)trans-79.7115.4176.7-175.5-97.4000109.9V165 V176 Q206V165-Y185 HydrophobicContact CG2-CD1 3.91Å; V165-Y185 HydrophobicContact CG2-CE1 3.86Å; V176-Y185 HydrophobicContact CB-CD2 4.15Å; V176-Y185 HydrophobicContact CB-CE1 4.09Å; V176-Y185 HydrophobicContact CB-CE2 3.71Å; V176-Y185 HydrophobicContact CG1-CD1 4.46Å; V176-Y185 HydrophobicContact CG1-CE1 3.68Å; V176-Y185 HydrophobicContact CG1-CE2 4.02Å; V176-Y185 VanDerWaalsContact CG1-CZ 3.42Å; V176-Y185 WeakPolarHBondContact CG1-OH 3.09Å; V176-Y185 HydrophobicContact CG2-CD1 4.21Å; V176-Y185 HydrophobicContact CG2-CD2 4.2Å; V176-Y185 HydrophobicContact CG2-CE1 4.24Å; V176-Y185 HydrophobicContact CG2-CE2 4.25Å; V176-Y185 HydrophobicContact CG2-CG 4.18Å; Y185-Q206 PolarHBondContact N-O 3.14Å
186D84.9Confident84.5Confident25 Ų2557.4 Ų57.413%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-90.1124.5175.2-175.648.6000111.3F184 S188 S189 K190 M191 E193F184-D186 HydrophobicContact CE2-CB 3.83Å; F184-D186 HydrophobicContact CZ-CB 4.23Å; F184-D186 PolarHBondContact O-N 3.39Å; D186-S188 VanDerWaalsContact C-N 3.32Å; D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 PolarHBondContact O-N 2.87Å; D186-S188 PolarHBondContact OD1-OG 2.9Å; D186-S188 VanDerWaalsContact OD1-OG 3.13Å; D186-S188 VanDerWaalsContact OD2-CB 3.29Å; D186-S188 WeakPolarHBondContact OD2-CB 3.37Å; D186-S188 PolarHBondContact OD2-N 2.05Å; D186-S188 PolarHBondContact OD2-OG 2.89Å; D186-S189 WeakPolarHBondContact OD2-CB 3.31Å; D186-S189 PolarHBondContact OD2-N 2.97Å; D186-S189 PolarHBondContact OD2-OG 3.06Å; D186-S189 VanDerWaalsContact OD2-OG 3.05Å; D186-K190 WeakPolarHBondContact O-CA 3.41Å; D186-K190 PolarHBondContact O-N 3.22Å; D186-M191 PolarHBondContact N-O 2.66Å; D186-M191 VanDerWaalsContact N-O 3.09Å; D186-E193 HydrophobicContact CB-CB 4.45Å; D186-E193 HydrophobicContact CB-CG 4.04Å
187T77.9Confident84.3Confident96 Ų9661.6 Ų61.659%0.58934%0.338SS*.THydrogen-bonded Turntrans-71.7-29.4-176.6-46.90000111.9
188S82.6Confident84.5Confident105 Ų10562.2 Ų62.273%0.73433%0.334SS*.THydrogen-bonded Turntrans-70.3-50.7176.312.80000111.6D186 K190D186-S188 VanDerWaalsContact C-N 3.32Å; D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 PolarHBondContact O-N 2.87Å; D186-S188 PolarHBondContact OD1-OG 2.9Å; D186-S188 VanDerWaalsContact OD1-OG 3.13Å; D186-S188 VanDerWaalsContact OD2-CB 3.29Å; D186-S188 WeakPolarHBondContact OD2-CB 3.37Å; D186-S188 PolarHBondContact OD2-N 2.05Å; D186-S188 PolarHBondContact OD2-OG 2.89Å; S188-K190 VanDerWaalsContact C-N 3.35Å
189S81Confident84.8Confident49 Ų4959 Ų5934%0.34332%0.315SS..THydrogen-bonded Turntrans-80-15.9-177.3-58.90000113.3D186 M191 E193D186-S189 WeakPolarHBondContact OD2-CB 3.31Å; D186-S189 PolarHBondContact OD2-N 2.97Å; D186-S189 PolarHBondContact OD2-OG 3.06Å; D186-S189 VanDerWaalsContact OD2-OG 3.05Å; S189-M191 WeakPolarHBondContact O-CG 3.18Å; S189-M191 PolarHBondContact O-N 2.66Å; S189-M191 VanDerWaalsContact O-N 3.12Å; S189-E193 WeakPolarHBondContact CB-OE1 3.04Å; S189-E193 PolarHBondContact OG-OE1 3.09Å
190K79.4Confident85Confident161 Ų16160.5 Ų60.570%0.732%0.321SS*.THydrogen-bonded Turntrans50.928.5-171.7-61.4-176.4179.4-179.20113.2D186 S188D186-K190 WeakPolarHBondContact O-CA 3.41Å; D186-K190 PolarHBondContact O-N 3.22Å; S188-K190 VanDerWaalsContact C-N 3.35Å
191M83.1Confident85.3Confident133 Ų13357.4 Ų57.466%0.65530%0.3SS*.EExtended strand (participates in β ladder)trans-138.2160.9-175.6-73-164.9-112.800109.8D186 S189 E193D186-M191 PolarHBondContact N-O 2.66Å; D186-M191 VanDerWaalsContact N-O 3.09Å; S189-M191 WeakPolarHBondContact O-CG 3.18Å; S189-M191 PolarHBondContact O-N 2.66Å; S189-M191 VanDerWaalsContact O-N 3.12Å; M191-E193 PolarHBondContact O-N 3.11Å
192C86.8Confident85.3Confident47 Ų4758 Ų5832%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-77.6110.7175.7-62.30000109.9C179 Y183 F184C179-C192 WeakPolarHBondContact CA-SG 3.39Å; C179-C192 HydrophobicContact CB-CB 3.77Å; C179-C192 WeakPolarHBondContact CB-SG 3.45Å; C179-C192 WeakPolarHBondContact SG-CA 3.07Å; C179-C192 WeakPolarHBondContact SG-CB 3.21Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.05Å; Y183-C192 HydrophobicContact CD1-CB 4.34Å; F184-C192 WeakPolarHBondContact O-CA 3.21Å
193E87.3Confident85.4Confident61 Ų6164.9 Ų64.929%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-95.3150.4173.6-72.7-171.6-172.400110.5Y183 F184 D186 S189 M191 R198Y183-E193 CarbonylContact C-O 3.47Å; Y183-E193 WeakPolarHBondContact CA-O 3.09Å; Y183-E193 WeakPolarHBondContact CB-O 3.44Å; F184-E193 HydrophobicContact CD1-CB 4.33Å; F184-E193 WeakPolarHBondContact CD1-O 3.48Å; F184-E193 HydrophobicContact CE1-CB 3.59Å; F184-E193 HydrophobicContact CZ-CB 3.68Å; F184-E193 PolarHBondContact N-O 2.85Å; F184-E193 PolarHBondContact O-N 3.07Å; D186-E193 HydrophobicContact CB-CB 4.45Å; D186-E193 HydrophobicContact CB-CG 4.04Å; S189-E193 WeakPolarHBondContact CB-OE1 3.04Å; S189-E193 PolarHBondContact OG-OE1 3.09Å; M191-E193 PolarHBondContact O-N 3.11Å; E193-R198 IonicContact OE2-NH1 2.71Å
194T88.3Confident85.2Confident46 Ų4664.8 Ų64.828%0.28234%0.342SS..EExtended strand (participates in β ladder)trans-69.9146.7176.391.50000109.4Y183 F184 G196 Q221Y183-T194 HydrophobicContact CD1-CG2 4.27Å; Y183-T194 HydrophobicContact CE1-CG2 3.79Å; F184-T194 WeakPolarHBondContact CE1-O 3.24Å; T194-G196 PolarHBondContact O-N 2.71Å; T194-G196 VanDerWaalsContact O-N 3.12Å; T194-G196 PolarHBondContact OG1-N 3.13Å; T194-G196 VanDerWaalsContact OG1-N 3.15Å; T194-Q221 VanDerWaalsContact CB-O 3.26Å; T194-Q221 WeakPolarHBondContact CB-O 3.48Å; T194-Q221 PolarHBondContact OG1-O 3Å
195C87.3Confident84.8Confident1 Ų164.7 Ų64.71%0.00735%0.345CS..  trans-60.8-21.8172.4-77.60000114.2G182 L197 R198 G199 Q201 C209 Q221G182-C195 PolarHBondContact O-N 3.32Å; C195-L197 PolarHBondContact O-N 2.03Å; C195-R198 WeakPolarHBondContact O-CA 3.5Å; C195-R198 VanDerWaalsContact O-CB 3.31Å; C195-R198 WeakPolarHBondContact O-CB 3.03Å; C195-R198 PolarHBondContact O-N 2.87Å; C195-G199 WeakPolarHBondContact CB-O 3.49Å; C195-Q201 WeakPolarHBondContact SG-CB 3.03Å; C195-C209 WeakPolarHBondContact CA-SG 3.42Å; C195-C209 HydrophobicContact CB-CB 3.73Å; C195-C209 WeakPolarHBondContact CB-SG 3.42Å; C195-C209 WeakPolarHBondContact SG-CB 3.2Å; C195-C209 CovalentContact SG-SG 2.03Å; C195-C209 PolarHBondContact SG-SG 2.81Å; C195-Q221 PolarHBondContact N-O 3.25Å
196G83.9Confident84.6Confident13 Ų1365.3 Ų65.313%0.13435%0.349CS..THydrogen-bonded Turntrans54.1-126.1171.800000110.8T194 P218 Q221T194-G196 PolarHBondContact O-N 2.71Å; T194-G196 VanDerWaalsContact O-N 3.12Å; T194-G196 PolarHBondContact OG1-N 3.13Å; T194-G196 VanDerWaalsContact OG1-N 3.15Å; G196-P218 WeakPolarHBondContact O-CG 3.05Å; G196-Q221 WeakPolarHBondContact CA-O 3.28Å; G196-Q221 PolarHBondContact N-O 2.99Å
197L76.7Confident84.4Confident103 Ų10366 Ų6654%0.53935%0.353SS..THydrogen-bonded Turntrans-93-2.2178.1-56.4171.1000112.8C195 G199 M260C195-L197 PolarHBondContact O-N 2.03Å; L197-G199 VanDerWaalsContact C-N 3.26Å; L197-G199 PolarHBondContact O-N 2.66Å; L197-M260 HydrophobicContact CB-SD 4.37Å; L197-M260 HydrophobicContact CD1-CE 3.41Å; L197-M260 VanDerWaalsContact CD1-CE 3.41Å; L197-M260 HydrophobicContact CD1-SD 3.72Å; L197-M260 HydrophobicContact CD2-SD 4.47Å; L197-M260 HydrophobicContact CG-SD 4.4Å
198R82.9Confident84.7Confident160 Ų16069.6 Ų69.660%0.60436%0.355SS*.SBendtrans-77.2-15.8179.1-57.5178.6-179.1149.71.9111.9E193 C195 C209E193-R198 IonicContact OE2-NH1 2.71Å; C195-R198 WeakPolarHBondContact O-CA 3.5Å; C195-R198 VanDerWaalsContact O-CB 3.31Å; C195-R198 WeakPolarHBondContact O-CB 3.03Å; C195-R198 PolarHBondContact O-N 2.87Å; R198-C209 HydrophobicContact CB-CB 4.48Å
199G88Confident85.1Confident0 Ų065.5 Ų65.50%033%0.326CS..  trans146.7-148174.100000113.6C195 L197 I210C195-G199 WeakPolarHBondContact CB-O 3.49Å; L197-G199 VanDerWaalsContact C-N 3.26Å; L197-G199 PolarHBondContact O-N 2.66Å; G199-I210 CarbonylContact C-O 3.53Å; G199-I210 WeakPolarHBondContact CA-O 3.28Å
200Y90.7Very high85.5Confident31 Ų3166.3 Ų66.312%0.12233%0.326CS..BIsolated β-bridgetrans-128161.4179.968.4-79.3000110.9I210 S223 T225 I226 C229Y200-I210 HydrophobicContact CD1-CB 4.5Å; Y200-I210 WeakPolarHBondContact CD1-O 3.41Å; Y200-I210 HydrophobicContact CE1-CB 4.19Å; Y200-I210 HydrophobicContact CE1-CG2 3.91Å; Y200-I210 HydrophobicContact CE2-CB 4.45Å; Y200-I210 HydrophobicContact CE2-CD1 4.41Å; Y200-I210 HydrophobicContact CE2-CG2 4.5Å; Y200-I210 PolarHBondContact N-O 3.3Å; Y200-I210 WeakPolarHBondContact O-CB 3.08Å; Y200-I210 PolarHBondContact O-N 2.91Å; Y200-S223 CarbonylContact C-O 3.48Å; Y200-S223 WeakPolarHBondContact CA-O 3.39Å; Y200-S223 VanDerWaalsContact CB-O 3.31Å; Y200-S223 WeakPolarHBondContact CB-O 3.37Å; Y200-T225 VanDerWaalsContact CD2-C 3.47Å; Y200-I226 HydrophobicContact CE1-CB 4.11Å; Y200-I226 HydrophobicContact CE1-CG1 4.05Å; Y200-I226 HydrophobicContact CE2-CB 3.94Å; Y200-C229 WeakPolarHBondContact CD1-SG 3.35Å
201Q92.2Very high85.9Confident6 Ų663.2 Ų63.23%0.02832%0.323CS..  trans-144.8101-179.8-175.950.9-98.500112.2G182 C195 K203 Q206 R208 S223G182-Q201 PolarHBondContact N-O 2.04Å; C195-Q201 WeakPolarHBondContact SG-CB 3.03Å; Q201-K203 VanDerWaalsContact CG-O 3.24Å; Q201-K203 WeakPolarHBondContact CG-O 3.32Å; Q201-K203 VanDerWaalsContact OE1-N 3.1Å; Q201-K203 PolarHBondContact OE1-O 3.2Å; Q201-Q206 HydrophobicContact CG-CB 4.01Å; Q201-Q206 HydrophobicContact CG-CG 4.04Å; Q201-R208 PolarHBondContact NE2-O 3.37Å; Q201-S223 PolarHBondContact N-O 3.41Å
202P89.9Confident86.1Confident65 Ų6557.8 Ų57.842%0.42230%0.298SS..  trans-73.3-30.518025.5-31.7000113.4I210 T224P202-I210 HydrophobicContact CG-CD1 4.18Å; P202-T224 WeakPolarHBondContact CA-O 3.49Å; P202-T224 WeakPolarHBondContact CB-O 2.93Å
203K86.9Confident86.2Confident145 Ų14558.7 Ų58.763%0.6330%0.303SS*.SBendtrans-101.5140-173.3-65.4-176.3179.9-178.30110.6Q201 Q206Q201-K203 VanDerWaalsContact CG-O 3.24Å; Q201-K203 WeakPolarHBondContact CG-O 3.32Å; Q201-K203 VanDerWaalsContact OE1-N 3.1Å; Q201-K203 PolarHBondContact OE1-O 3.2Å; K203-Q206 HydrophobicContact CB-CG 4.22Å; K203-Q206 WeakPolarHBondContact O-CG 3.48Å
204S85.3Confident85.9Confident70 Ų7063.9 Ų63.949%0.4933%0.333SS..SBendtrans-71.5160.6170.234.30000111.7C179 Q206C179-S204 CarbonylContact O-C 3.51Å; C179-S204 WeakPolarHBondContact O-CA 3.29Å; C179-S204 WeakPolarHBondContact O-CB 3.34Å; S204-Q206 PolarHBondContact O-NE2 2.73Å
205G79.4Confident85.2Confident10 Ų1064.4 Ų64.410%0.10335%0.347CS..SBendtrans7229.7175.300000114.8C179C179-G205 PolarHBondContact O-N 3.07Å
206Q82.8Confident84.9Confident44 Ų4465.7 Ų65.721%0.20636%0.355CS..  trans-97.9149179.4-57.9-60.7-37.700111.6F184 Y185 Q201 K203 S204F184-Q206 CarbonylContact C-O 3.56Å; F184-Q206 VanDerWaalsContact CA-O 3.28Å; F184-Q206 WeakPolarHBondContact CA-O 3.44Å; Y185-Q206 PolarHBondContact N-O 3.14Å; Q201-Q206 HydrophobicContact CG-CB 4.01Å; Q201-Q206 HydrophobicContact CG-CG 4.04Å; K203-Q206 HydrophobicContact CB-CG 4.22Å; K203-Q206 WeakPolarHBondContact O-CG 3.48Å; S204-Q206 PolarHBondContact O-NE2 2.73Å
207D79.8Confident84.7Confident41 Ų4166.6 Ų66.622%0.21936%0.358CS..SBendtrans-95-11.2177.963.8-36.3000112.8R143 V165 F184R143-D207 IonicContact CZ-OD1 2.59Å; R143-D207 IonicContact NH1-OD1 3.44Å; R143-D207 VanDerWaalsContact NH2-CB 3.3Å; R143-D207 IonicContact NH2-OD1 3.61Å; R143-D207 PolarHBondContact NH2-OD1 3.23Å; R143-D207 IonicContact NH2-OD2 3.78Å; V165-D207 HydrophobicContact CG1-CB 4.06Å; V165-D207 WeakPolarHBondContact O-CB 3.46Å; F184-D207 WeakPolarHBondContact CD2-O 3.5Å
208R85.4Confident85Confident170 Ų17062 Ų6264%0.64233%0.334SS*.SBendtrans-145.4156-177.571.8-174.879.7-1782.2110.8Q201Q201-R208 PolarHBondContact NE2-O 3.37Å
209C89.1Confident84.6Confident19 Ų1956.7 Ų56.713%0.12832%0.317CS..PPolyproline II helixtrans-91.6151173.3-58.10000111F184 C195 R198F184-C209 WeakPolarHBondContact CD1-SG 3.27Å; C195-C209 WeakPolarHBondContact CA-SG 3.42Å; C195-C209 HydrophobicContact CB-CB 3.73Å; C195-C209 WeakPolarHBondContact CB-SG 3.42Å; C195-C209 WeakPolarHBondContact SG-CB 3.2Å; C195-C209 CovalentContact SG-SG 2.03Å; C195-C209 PolarHBondContact SG-SG 2.81Å; R198-C209 HydrophobicContact CB-CB 4.48Å
210I90.6Very high84.1Confident66 Ų6662.3 Ų62.334%0.33834%0.339SS..BIsolated β-bridgetrans-83.3117.8173.7-55.2176.9000107G199 Y200 P202G199-I210 CarbonylContact C-O 3.53Å; G199-I210 WeakPolarHBondContact CA-O 3.28Å; Y200-I210 HydrophobicContact CD1-CB 4.5Å; Y200-I210 WeakPolarHBondContact CD1-O 3.41Å; Y200-I210 HydrophobicContact CE1-CB 4.19Å; Y200-I210 HydrophobicContact CE1-CG2 3.91Å; Y200-I210 HydrophobicContact CE2-CB 4.45Å; Y200-I210 HydrophobicContact CE2-CD1 4.41Å; Y200-I210 HydrophobicContact CE2-CG2 4.5Å; Y200-I210 PolarHBondContact N-O 3.3Å; Y200-I210 WeakPolarHBondContact O-CB 3.08Å; Y200-I210 PolarHBondContact O-N 2.91Å; P202-I210 HydrophobicContact CG-CD1 4.18Å
211P88.4Confident83.7Confident96 Ų9667.4 Ų67.462%0.62336%0.364SS*.PPolyproline II helixtrans-62.6145.5179.726.3-33.2000110.7
212C87.1Confident83.3Confident20 Ų2070.8 Ų70.814%0.13538%0.383CS..PPolyproline II helixtrans-69.8154.1171.2-760000110.5T216 C229C212-T216 WeakPolarHBondContact CB-OG1 3.07Å; C212-C229 VanDerWaalsContact CA-SG 3.59Å; C212-C229 HydrophobicContact CB-CB 3.68Å; C212-C229 WeakPolarHBondContact CB-SG 3.46Å; C212-C229 WeakPolarHBondContact SG-CB 3.26Å; C212-C229 CovalentContact SG-SG 2.05Å; C212-C229 PolarHBondContact SG-SG 2.84Å
213P87.5Confident83.2Confident65 Ų6567.7 Ų67.742%0.42236%0.363SS..PPolyproline II helixtrans-53.1153.5173-25.433.5000113.5G215 T216 I226P213-G215 PolarHBondContact O-N 2.04Å; P213-T216 WeakPolarHBondContact CD-OG1 3.23Å; P213-T216 PolarHBondContact O-N 3.5Å; P213-T216 PolarHBondContact O-OG1 3.24Å; P213-I226 HydrophobicContact CG-CD1 4.23Å
214D80.9Confident83.3Confident171 Ų17162.8 Ų62.891%0.91435%0.345SS*.THydrogen-bonded Turntrans-52129.2-178.3-69.5-30.4000112.2T216D214-T216 VanDerWaalsContact C-N 3.31Å; D214-T216 PolarHBondContact O-N 2.84Å
215G74.2Confident83.4Confident57 Ų5762.5 Ų62.559%0.58834%0.34SS*.THydrogen-bonded Turntrans84.1-2.7-178.900000115.4P213 K232P213-G215 PolarHBondContact O-N 2.04Å; G215-K232 WeakPolarHBondContact O-CB 3.47Å; G215-K232 PolarHBondContact O-N 3.48Å
216T81.5Confident83.6Confident27 Ų2766.6 Ų66.617%0.16636%0.358CS..EExtended strand (participates in β ladder)trans-111.4151.5178.5690000112.6C212 P213 D214 L230C212-T216 WeakPolarHBondContact CB-OG1 3.07Å; P213-T216 WeakPolarHBondContact CD-OG1 3.23Å; P213-T216 PolarHBondContact O-N 3.5Å; P213-T216 PolarHBondContact O-OG1 3.24Å; D214-T216 VanDerWaalsContact C-N 3.31Å; D214-T216 PolarHBondContact O-N 2.84Å; T216-L230 CarbonylContact C-O 3.43Å; T216-L230 VanDerWaalsContact CA-O 3.23Å; T216-L230 WeakPolarHBondContact CA-O 3.48Å; T216-L230 WeakPolarHBondContact CB-O 3.44Å
217V79.8Confident83.6Confident33 Ų3367 Ų6720%0.238%0.375CS..EExtended strand (participates in β ladder)trans-134.5143.7178.8-65.80000111.1L230V217-L230 PolarHBondContact N-O 3.09Å; V217-L230 PolarHBondContact O-N 2.9Å; V217-L230 VanDerWaalsContact O-N 3.07Å
218P81.8Confident83.8Confident6 Ų667.4 Ų67.44%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-64.6145.8-179.226.3-33000112.1G196 S223 H228G196-P218 WeakPolarHBondContact O-CG 3.05Å; P218-S223 WeakPolarHBondContact CB-OG 3.21Å; P218-H228 CarbonylContact C-O 3.53Å; P218-H228 WeakPolarHBondContact CA-O 3.28Å
219I75.8Confident83.7Confident48 Ų4860 Ų6025%0.24635%0.349CS..SBendtrans-76.3-45.9175.9-35.6-170000113.6H228 L230 R239I219-H228 HydrophobicContact CG1-CB 4.18Å; I219-H228 WeakPolarHBondContact CG1-O 3.45Å; I219-H228 PolarHBondContact N-O 3.23Å; I219-L230 HydrophobicContact CD1-CD1 3.29Å; I219-L230 HydrophobicContact CD1-CG 3.8Å; I219-L230 HydrophobicContact CG1-CD1 3.88Å; I219-L230 HydrophobicContact CG1-CG 4.05Å; I219-R239 VanDerWaalsContact CG2-NH2 3.31Å
220Y78Confident83.3Confident119 Ų11961.9 Ų61.947%0.46736%0.358SS..SBendtrans-107.4145.2-175.3-52.5-68.1000109.3N222 S223 H228Y220-N222 WeakPolarHBondContact CB-OD1 3.48Å; Y220-N222 PolarHBondContact O-N 2.81Å; Y220-S223 PolarHBondContact N-OG 3.08Å; Y220-S223 VanDerWaalsContact N-OG 3.11Å; Y220-S223 WeakPolarHBondContact O-CB 3.31Å; Y220-S223 PolarHBondContact O-N 2.89Å; Y220-S223 VanDerWaalsContact O-N 3.09Å; Y220-S223 PolarHBondContact O-OG 3.49Å; Y220-H228 AromaticContact CD2-CE1 3.83Å; Y220-H228 AromaticContact CD2-ND1 3.65Å
221Q81.1Confident82.7Confident138 Ų13864.7 Ų64.765%0.64537%0.373SS*.THydrogen-bonded Turntrans-60.7-26.1174.3-67.3-175.3-7.500112T194 C195 G196T194-Q221 VanDerWaalsContact CB-O 3.26Å; T194-Q221 WeakPolarHBondContact CB-O 3.48Å; T194-Q221 PolarHBondContact OG1-O 3Å; C195-Q221 PolarHBondContact N-O 3.25Å; G196-Q221 WeakPolarHBondContact CA-O 3.28Å; G196-Q221 PolarHBondContact N-O 2.99Å
222N84.6Confident82.1Confident77 Ų7763.6 Ų63.641%0.41236%0.359SS..THydrogen-bonded Turntrans-10737175.661.8-5.1000112.1Y183 Y220 T224Y183-N222 HydrophobicContact CE2-CB 3.94Å; Y220-N222 WeakPolarHBondContact CB-OD1 3.48Å; Y220-N222 PolarHBondContact O-N 2.81Å; N222-T224 PolarHBondContact O-N 2.89Å
223S86.7Confident81.8Confident0 Ų063.2 Ų63.20%036%0.356CS..  trans-57.1125-178.6-71.50000111.6Y200 Q201 P218 Y220Y200-S223 CarbonylContact C-O 3.48Å; Y200-S223 WeakPolarHBondContact CA-O 3.39Å; Y200-S223 VanDerWaalsContact CB-O 3.31Å; Y200-S223 WeakPolarHBondContact CB-O 3.37Å; Q201-S223 PolarHBondContact N-O 3.41Å; P218-S223 WeakPolarHBondContact CB-OG 3.21Å; Y220-S223 PolarHBondContact N-OG 3.08Å; Y220-S223 VanDerWaalsContact N-OG 3.11Å; Y220-S223 WeakPolarHBondContact O-CB 3.31Å; Y220-S223 PolarHBondContact O-N 2.89Å; Y220-S223 VanDerWaalsContact O-N 3.09Å; Y220-S223 PolarHBondContact O-OG 3.49Å
224T88.7Confident81.8Confident42 Ų4270.4 Ų70.426%0.25838%0.375SS..  trans-102.8-18.2-179.654.80000113P202 N222P202-T224 WeakPolarHBondContact CA-O 3.49Å; P202-T224 WeakPolarHBondContact CB-O 2.93Å; N222-T224 PolarHBondContact O-N 2.89Å
225T87.3Confident82.1Confident64 Ų6463.9 Ų63.939%0.39335%0.345SS..SBendtrans-127.8155-175.169.10000112.2Y200 G227 H228Y200-T225 VanDerWaalsContact CD2-C 3.47Å; T225-G227 PolarHBondContact O-N 2.76Å; T225-H228 WeakPolarHBondContact O-CB 3.21Å; T225-H228 PolarHBondContact O-N 3.2Å; T225-H228 PolarHBondContact OG1-CD2 3.3Å; T225-H228 PolarHBondContact OG1-NE2 3.18Å
226I85.6Confident82.7Confident95 Ų9561.2 Ų61.249%0.48732%0.317SS..G310 helixtrans-65.2-24.7174.9-165.5170.3000112.5Y200 P213 H228 C229Y200-I226 HydrophobicContact CE1-CB 4.11Å; Y200-I226 HydrophobicContact CE1-CG1 4.05Å; Y200-I226 HydrophobicContact CE2-CB 3.94Å; P213-I226 HydrophobicContact CG-CD1 4.23Å; I226-H228 PolarHBondContact O-N 3.15Å; I226-H228 VanDerWaalsContact O-N 3.12Å; I226-C229 VanDerWaalsContact O-CB 3.26Å; I226-C229 WeakPolarHBondContact O-CB 3.37Å; I226-C229 PolarHBondContact O-N 3.12Å
227G82.6Confident83Confident53 Ų5363 Ų6355%0.54633%0.325SS..G310 helixtrans-63.3-15.9175.200000113.2T225 C229T225-G227 PolarHBondContact O-N 2.76Å; G227-C229 VanDerWaalsContact C-N 3.32Å
228H82.4Confident83.4Confident49 Ų4963.5 Ų63.523%0.22732%0.324CS..G310 helixtrans-84.2-5.7171.7-57.2171.6000112.8P218 I219 Y220 T225 I226 L230P218-H228 CarbonylContact C-O 3.53Å; P218-H228 WeakPolarHBondContact CA-O 3.28Å; I219-H228 HydrophobicContact CG1-CB 4.18Å; I219-H228 WeakPolarHBondContact CG1-O 3.45Å; I219-H228 PolarHBondContact N-O 3.23Å; Y220-H228 AromaticContact CD2-CE1 3.83Å; Y220-H228 AromaticContact CD2-ND1 3.65Å; T225-H228 WeakPolarHBondContact O-CB 3.21Å; T225-H228 PolarHBondContact O-N 3.2Å; T225-H228 PolarHBondContact OG1-CD2 3.3Å; T225-H228 PolarHBondContact OG1-NE2 3.18Å; I226-H228 PolarHBondContact O-N 3.15Å; I226-H228 VanDerWaalsContact O-N 3.12Å; H228-L230 PolarHBondContact O-N 3.42Å
229C85Confident83.3Confident15 Ų1565.8 Ų65.810%0.10133%0.332CS..EExtended strand (participates in β ladder)trans-83.7105.3171.5-60.80000108.6Y200 C212 I226 G227Y200-C229 WeakPolarHBondContact CD1-SG 3.35Å; C212-C229 VanDerWaalsContact CA-SG 3.59Å; C212-C229 HydrophobicContact CB-CB 3.68Å; C212-C229 WeakPolarHBondContact CB-SG 3.46Å; C212-C229 WeakPolarHBondContact SG-CB 3.26Å; C212-C229 CovalentContact SG-SG 2.05Å; C212-C229 PolarHBondContact SG-SG 2.84Å; I226-C229 VanDerWaalsContact O-CB 3.26Å; I226-C229 WeakPolarHBondContact O-CB 3.37Å; I226-C229 PolarHBondContact O-N 3.12Å; G227-C229 VanDerWaalsContact C-N 3.32Å
230L79.3Confident83.6Confident59 Ų5964.6 Ų64.631%0.30933%0.328SS..EExtended strand (participates in β ladder)trans-115.1157.9177.9-61.7-179.7000110.9T216 V217 I219 H228 K232 G243T216-L230 CarbonylContact C-O 3.43Å; T216-L230 VanDerWaalsContact CA-O 3.23Å; T216-L230 WeakPolarHBondContact CA-O 3.48Å; T216-L230 WeakPolarHBondContact CB-O 3.44Å; V217-L230 PolarHBondContact N-O 3.09Å; V217-L230 PolarHBondContact O-N 2.9Å; V217-L230 VanDerWaalsContact O-N 3.07Å; I219-L230 HydrophobicContact CD1-CD1 3.29Å; I219-L230 HydrophobicContact CD1-CG 3.8Å; I219-L230 HydrophobicContact CG1-CD1 3.88Å; I219-L230 HydrophobicContact CG1-CG 4.05Å; H228-L230 PolarHBondContact O-N 3.42Å; L230-K232 PolarHBondContact O-N 3.47Å; L230-G243 WeakPolarHBondContact CD1-O 3.26Å
231D78.1Confident83.2Confident124 Ų12464.3 Ų64.366%0.66334%0.343SS*.EExtended strand (participates in β ladder)trans-52.4137.5179.4-66.5-30.3000112.6C233D231-C233 PolarHBondContact O-N 3.33Å
232K77.2Confident82.7Confident73 Ų7363.4 Ų63.432%0.31734%0.343SS..PPolyproline II helixtrans-63.1121.5172.1-171.2-179.6-172.5-1790109.1G215 L230 R234 A257 D258 D259G215-K232 WeakPolarHBondContact O-CB 3.47Å; G215-K232 PolarHBondContact O-N 3.48Å; L230-K232 PolarHBondContact O-N 3.47Å; K232-R234 PolarHBondContact O-N 2.81Å; K232-A257 WeakPolarHBondContact CE-O 3.43Å; K232-A257 PolarHBondContact NZ-O 3.18Å; K232-D258 PolarHBondContact NZ-O 2.91Å; K232-D259 WeakPolarHBondContact CE-O 3.25Å
233C80.8Confident81.8Confident12 Ų1260 Ų608%0.08133%0.327CS..PPolyproline II helixtrans-59.5139.6173.5-64.70000110.5D231 M237 C246 K255D231-C233 PolarHBondContact O-N 3.33Å; C233-M237 HydrophobicContact CB-CB 3.95Å; C233-M237 WeakPolarHBondContact CB-O 3.1Å; C233-C246 VanDerWaalsContact CA-SG 3.52Å; C233-C246 HydrophobicContact CB-CB 3.89Å; C233-C246 WeakPolarHBondContact CB-SG 3.43Å; C233-C246 WeakPolarHBondContact SG-CB 3.47Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 2.9Å; C233-K255 PolarHBondContact O-NZ 2.8Å
234R86.1Confident81Confident217 Ų21764.6 Ų64.682%0.81936%0.358SS*.PPolyproline II helixtrans-58.9164.7-178.8-62.5-179.1-178.9175.80.5111.6K232 G236 M237K232-R234 PolarHBondContact O-N 2.81Å; R234-G236 PolarHBondContact O-N 2.82Å; R234-M237 WeakPolarHBondContact O-CB 3.12Å; R234-M237 PolarHBondContact O-N 2.74Å
235A87.1Confident80.7Confident34 Ų3466.8 Ų66.828%0.28137%0.372SS..THydrogen-bonded Turntrans-54135.1173.200000110.7M237 K255 K277A235-M237 VanDerWaalsContact C-N 3.34Å; A235-K255 CarbonylContact C-O 3.43Å; A235-K255 WeakPolarHBondContact CA-O 3.34Å; A235-K277 HydrophobicContact CB-CB 4.32Å; A235-K277 HydrophobicContact CB-CG 4.26Å
236G86.8Confident80.6Confident0 Ų066.8 Ų66.80%037%0.374CS..THydrogen-bonded Turntrans78.84.9-172.600000115.8R234 C249 K255 A275 S276R234-G236 PolarHBondContact O-N 2.82Å; G236-C249 PolarHBondContact O-N 3.49Å; G236-C249 PolarHBondContact O-SG 2.74Å; G236-K255 PolarHBondContact N-O 2.68Å; G236-A275 WeakPolarHBondContact O-CA 3.12Å; G236-A275 VanDerWaalsContact O-CB 3.3Å; G236-A275 WeakPolarHBondContact O-CB 3.38Å; G236-S276 WeakPolarHBondContact CA-O 3.39Å
237M89.3Confident80.8Confident66 Ų6665.5 Ų65.533%0.32537%0.366SS..EExtended strand (participates in β ladder)trans-125129.4178.8-64.1-86.4-17500110.9C233 R234 A235 C246 E247 P248 K255C233-M237 HydrophobicContact CB-CB 3.95Å; C233-M237 WeakPolarHBondContact CB-O 3.1Å; R234-M237 WeakPolarHBondContact O-CB 3.12Å; R234-M237 PolarHBondContact O-N 2.74Å; A235-M237 VanDerWaalsContact C-N 3.34Å; M237-C246 HydrophobicContact CB-CB 4.21Å; M237-E247 CarbonylContact C-O 3.49Å; M237-E247 VanDerWaalsContact CA-O 3.26Å; M237-E247 WeakPolarHBondContact CA-O 3.36Å; M237-E247 VanDerWaalsContact SD-C 3.58Å; M237-P248 HydrophobicContact SD-CB 4.1Å; M237-K255 WeakPolarHBondContact O-CD 3.29Å; M237-K255 WeakPolarHBondContact O-CE 3.39Å
238Q86.6Confident81.2Confident42 Ų4265.7 Ų65.720%0.19636%0.357CS..EExtended strand (participates in β ladder)trans-101.8166.3167.157.7-178.227.600110.8C246 E247 C262Q238-C246 CarbonylContact O-C 3.5Å; Q238-C246 VanDerWaalsContact O-CA 3.25Å; Q238-C246 WeakPolarHBondContact O-CA 3.38Å; Q238-E247 HydrophobicContact CG-CG 3.72Å; Q238-E247 PolarHBondContact N-O 2.85Å; Q238-E247 PolarHBondContact NE2-OE1 2.98Å; Q238-E247 PolarHBondContact O-N 3.37Å; Q238-E247 VanDerWaalsContact O-O 3.07Å; Q238-C262 WeakPolarHBondContact CB-SG 3.3Å; Q238-C262 VanDerWaalsContact CG-SG 3.55Å; Q238-C262 PolarHBondContact OE1-SG 2.76Å
239R81.4Confident81.6Confident55 Ų5563.4 Ų63.421%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-82.4139.7170.6-150.4151.370.5-147.6-1.8109.7I219 G243 T245I219-R239 VanDerWaalsContact CG2-NH2 3.31Å; R239-G243 WeakPolarHBondContact CD-O 3.34Å; R239-G243 PolarHBondContact NE-O 3.48Å; R239-T245 WeakPolarHBondContact CA-O 3.5Å; R239-T245 WeakPolarHBondContact CG-O 3.3Å
240S81.3Confident81.8Confident22 Ų2265.6 Ų65.615%0.15436%0.361CS..PPolyproline II helixtrans-60.2160.8177.3-171.60000111.3D242 G243 T245S240-D242 PolarHBondContact O-N 2.57Å; S240-D242 VanDerWaalsContact O-N 3.08Å; S240-G243 PolarHBondContact O-N 3.13Å; S240-T245 PolarHBondContact N-O 3.12Å
241S69.8Low82.3Confident113 Ų11366 Ų6679%0.7936%0.363SS*.THydrogen-bonded Turntrans-51.7-32.9177.255.40000112.8G243S241-G243 PolarHBondContact O-N 3.32Å
242D70.5Confident82.7Confident120 Ų12061 Ų6164%0.64234%0.34SS*.THydrogen-bonded Turntrans-86.63-176.5-53.5-17.1000112.2S240 S244S240-D242 PolarHBondContact O-N 2.57Å; S240-D242 VanDerWaalsContact O-N 3.08Å; D242-S244 PolarHBondContact O-N 3.05Å; D242-S244 PolarHBondContact O-OG 2.85Å; D242-S244 VanDerWaalsContact O-OG 3.06Å
243G66.2Low83.4Confident6 Ų657.7 Ų57.76%0.06233%0.326CS..SBendtrans70.2-2.2175.300000115.5L230 R239 S240 S241L230-G243 WeakPolarHBondContact CD1-O 3.26Å; R239-G243 WeakPolarHBondContact CD-O 3.34Å; R239-G243 PolarHBondContact NE-O 3.48Å; S240-G243 PolarHBondContact O-N 3.13Å; S241-G243 PolarHBondContact O-N 3.32Å
244S69.8Low83.9Confident95 Ų9557.6 Ų57.666%0.66432%0.324SS*.SBendtrans-93.3-30.5-165-59.80000114.5D242D242-S244 PolarHBondContact O-N 3.05Å; D242-S244 PolarHBondContact O-OG 2.85Å; D242-S244 VanDerWaalsContact O-OG 3.06Å
245T81.3Confident84.1Confident88 Ų8847.3 Ų47.354%0.5429%0.286SS..SBendtrans-136.1153.6-173.955.60000111.6R239 S240R239-T245 WeakPolarHBondContact CA-O 3.5Å; R239-T245 WeakPolarHBondContact CG-O 3.3Å; S240-T245 PolarHBondContact N-O 3.12Å
246C85.1Confident84.2Confident64 Ų6447.2 Ų47.243%0.43228%0.283SS..EExtended strand (participates in β ladder)trans-87.7121.8171.8-64.70000109.8C233 M237 Q238C233-C246 VanDerWaalsContact CA-SG 3.52Å; C233-C246 HydrophobicContact CB-CB 3.89Å; C233-C246 WeakPolarHBondContact CB-SG 3.43Å; C233-C246 WeakPolarHBondContact SG-CB 3.47Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 2.9Å; M237-C246 HydrophobicContact CB-CB 4.21Å; Q238-C246 CarbonylContact O-C 3.5Å; Q238-C246 VanDerWaalsContact O-CA 3.25Å; Q238-C246 WeakPolarHBondContact O-CA 3.38Å
247E89.4Confident83.9Confident69 Ų6950.6 Ų50.632%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-108149.3175.764.3-179.9-165.400111M237 Q238M237-E247 CarbonylContact C-O 3.49Å; M237-E247 VanDerWaalsContact CA-O 3.26Å; M237-E247 WeakPolarHBondContact CA-O 3.36Å; M237-E247 VanDerWaalsContact SD-C 3.58Å; Q238-E247 HydrophobicContact CG-CG 3.72Å; Q238-E247 PolarHBondContact N-O 2.85Å; Q238-E247 PolarHBondContact NE2-OE1 2.98Å; Q238-E247 PolarHBondContact O-N 3.37Å; Q238-E247 VanDerWaalsContact O-O 3.07Å
248P91Very high83.5Confident57 Ų5754 Ų5437%0.3733%0.33SS..EExtended strand (participates in β ladder)trans-66.5139.6179.427.9-35.3000110.9M237 K274 A275M237-P248 HydrophobicContact SD-CB 4.1Å; P248-K274 HydrophobicContact CB-CB 4.22Å; P248-A275 HydrophobicContact CB-CB 3.71Å
249C91.5Very high83Confident0 Ų053.7 Ų53.70%033%0.33CS..PPolyproline II helixtrans-51.7131.1175.1-69.20000110.9G236 S253 K255 C262 K274 A275G236-C249 PolarHBondContact O-N 3.49Å; G236-C249 PolarHBondContact O-SG 2.74Å; C249-S253 WeakPolarHBondContact CB-OG 2.97Å; C249-K255 WeakPolarHBondContact SG-CB 3.09Å; C249-C262 WeakPolarHBondContact CA-SG 3.3Å; C249-C262 HydrophobicContact CB-CB 3.81Å; C249-C262 WeakPolarHBondContact CB-SG 2.99Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 2.85Å; C249-K274 CarbonylContact O-C 3.41Å; C249-K274 WeakPolarHBondContact O-CA 3.45Å; C249-K274 WeakPolarHBondContact O-CB 3.33Å; C249-A275 PolarHBondContact O-N 2.04Å
250P90.3Very high82.6Confident62 Ų6255.5 Ų55.540%0.40334%0.342SS..PPolyproline II helixtrans-63.4162.517725.6-33000111.9S253P250-S253 VanDerWaalsContact CD-OG 3.23Å; P250-S253 WeakPolarHBondContact CD-OG 3.13Å; P250-S253 WeakPolarHBondContact CG-OG 3.45Å; P250-S253 PolarHBondContact O-N 2.89Å; P250-S253 VanDerWaalsContact O-N 3.14Å; P250-S253 PolarHBondContact O-OG 2.02Å
251I88Confident82.6Confident68 Ų6858.9 Ų58.935%0.34936%0.361SS..THydrogen-bonded Turntrans-58.8141174.5-70.7158.2000109.4S253 T270 T271 K274I251-S253 VanDerWaalsContact C-N 3.3Å; I251-T270 VanDerWaalsContact CG2-OG1 3.28Å; I251-T270 WeakPolarHBondContact CG2-OG1 3.21Å; I251-T271 WeakPolarHBondContact CA-OG1 3.32Å; I251-T271 WeakPolarHBondContact CG2-O 3.25Å; I251-K274 HydrophobicContact CG1-CG 4.2Å
252G87.9Confident83.5Confident17 Ų1754.2 Ų54.218%0.17533%0.329CS..THydrogen-bonded Turntrans82.59.6-17400000113.7C265 T270 T271G252-C265 VanDerWaalsContact C-SG 3.57Å; G252-C265 PolarHBondContact O-N 2.87Å; G252-C265 PolarHBondContact O-SG 3.14Å; G252-T270 PolarHBondContact N-OG1 3.23Å; G252-T271 PolarHBondContact N-OG1 2.8Å
253S90.7Very high84.3Confident5 Ų552.5 Ų52.54%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-139154.1174.975.50000111.9C249 P250 I251 M263 S276C249-S253 WeakPolarHBondContact CB-OG 2.97Å; P250-S253 VanDerWaalsContact CD-OG 3.23Å; P250-S253 WeakPolarHBondContact CD-OG 3.13Å; P250-S253 WeakPolarHBondContact CG-OG 3.45Å; P250-S253 PolarHBondContact O-N 2.89Å; P250-S253 VanDerWaalsContact O-N 3.14Å; P250-S253 PolarHBondContact O-OG 2.02Å; I251-S253 VanDerWaalsContact C-N 3.3Å; S253-M263 CarbonylContact C-O 3.42Å; S253-M263 WeakPolarHBondContact CA-O 3.42Å; S253-M263 WeakPolarHBondContact CB-O 3.45Å; S253-S276 WeakPolarHBondContact O-CB 3.2Å
254F92.2Very high85.4Confident10 Ų1060.2 Ų60.24%0.04435%0.354CS..EExtended strand (participates in β ladder)trans-140.8156.6178.770.9-81.9000110.6C262 M263 S276 L279 C282F254-C262 CarbonylContact O-C 3.32Å; F254-C262 WeakPolarHBondContact O-CA 2.89Å; F254-M263 HydrophobicContact CE1-CB 4.07Å; F254-M263 HydrophobicContact CE2-CE 3.62Å; F254-M263 HydrophobicContact CZ-CB 4.06Å; F254-M263 HydrophobicContact CZ-CE 3.65Å; F254-M263 PolarHBondContact N-O 3.25Å; F254-M263 PolarHBondContact O-N 3.47Å; F254-S276 CarbonylContact C-O 3.52Å; F254-S276 VanDerWaalsContact CA-O 3.25Å; F254-S276 WeakPolarHBondContact CA-O 3.26Å; F254-L279 HydrophobicContact CD1-CD1 4.37Å; F254-L279 HydrophobicContact CD2-CB 4.44Å; F254-L279 VanDerWaalsContact CD2-N 3.3Å; F254-L279 HydrophobicContact CE1-CB 4.18Å; F254-L279 HydrophobicContact CE1-CD1 3.49Å; F254-L279 VanDerWaalsContact CE1-CD1 3.49Å; F254-L279 HydrophobicContact CE1-CG 4.44Å; F254-L279 HydrophobicContact CE2-CB 3.79Å; F254-L279 HydrophobicContact CZ-CB 3.64Å; F254-L279 HydrophobicContact CZ-CD1 3.6Å; F254-L279 HydrophobicContact CZ-CG 4.16Å; F254-C282 WeakPolarHBondContact CD1-SG 3.46Å
255K90.8Very high86.4Confident1 Ų156.5 Ų56.50%0.00433%0.328CS..  trans-140.1117.9174.6-176.6-171.2177.4-67.10110.7C233 A235 G236 M237 C249 D259 M260 S276 K277C233-K255 PolarHBondContact O-NZ 2.8Å; A235-K255 CarbonylContact C-O 3.43Å; A235-K255 WeakPolarHBondContact CA-O 3.34Å; G236-K255 PolarHBondContact N-O 2.68Å; M237-K255 WeakPolarHBondContact O-CD 3.29Å; M237-K255 WeakPolarHBondContact O-CE 3.39Å; C249-K255 WeakPolarHBondContact SG-CB 3.09Å; K255-D259 WeakPolarHBondContact CE-O 3.25Å; K255-D259 HydrophobicContact CG-CB 3.88Å; K255-D259 PolarHBondContact NZ-O 2.68Å; K255-M260 WeakPolarHBondContact CE-O 3.33Å; K255-S276 PolarHBondContact N-O 3.47Å; K255-K277 CarbonylContact O-C 3.41Å; K255-K277 WeakPolarHBondContact O-CA 3.4Å
256S88.8Confident86.8Confident32 Ų3255.4 Ų55.422%0.22432%0.322CS..  trans-78.5178.2175.2-37.20000111.7D258 D259 K277S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 2.78Å; S256-D259 WeakPolarHBondContact CA-OD2 3.23Å; S256-D259 WeakPolarHBondContact CB-OD2 3.13Å; S256-D259 PolarHBondContact N-OD2 2.86Å; S256-D259 PolarHBondContact OG-OD2 2.86Å; S256-K277 VanDerWaalsContact CA-O 3.3Å; S256-K277 WeakPolarHBondContact CA-O 3.08Å
257A81.2Confident86.9Confident70 Ų7059.4 Ų59.458%0.57935%0.345SS*.SBendtrans-64.5-36.4177.400000112.2K232K232-A257 WeakPolarHBondContact CE-O 3.43Å; K232-A257 PolarHBondContact NZ-O 3.18Å
258D78.9Confident86.6Confident138 Ų13858.2 Ų58.274%0.73835%0.352SS*.SBendtrans-78.6-33.7179.7-59.4-46.2000112.1K232 S256K232-D258 PolarHBondContact NZ-O 2.91Å; S256-D258 VanDerWaalsContact C-N 3.3Å; S256-D258 PolarHBondContact O-N 2.78Å
259D77.9Confident86.4Confident35 Ų3561.4 Ų61.419%0.18736%0.356CS..  trans-64.7142.3-178.9-57.1-39.1000111.9K232 K255 S256 M263K232-D259 WeakPolarHBondContact CE-O 3.25Å; K255-D259 WeakPolarHBondContact CE-O 3.25Å; K255-D259 HydrophobicContact CG-CB 3.88Å; K255-D259 PolarHBondContact NZ-O 2.68Å; S256-D259 WeakPolarHBondContact CA-OD2 3.23Å; S256-D259 WeakPolarHBondContact CB-OD2 3.13Å; S256-D259 PolarHBondContact N-OD2 2.86Å; S256-D259 PolarHBondContact OG-OD2 2.86Å; D259-M263 VanDerWaalsContact CG-CE 3.4Å; D259-M263 WeakPolarHBondContact OD1-CE 3.21Å; D259-M263 VanDerWaalsContact OD2-CE 3.25Å; D259-M263 WeakPolarHBondContact OD2-CE 3.48Å
260M71.3Confident86.3Confident93 Ų9361.5 Ų61.546%0.45836%0.357SS..SBendtrans-96.6-26.6-179.2-67175.1-74.500112.4L197 K255L197-M260 HydrophobicContact CB-SD 4.37Å; L197-M260 HydrophobicContact CD1-CE 3.41Å; L197-M260 VanDerWaalsContact CD1-CE 3.41Å; L197-M260 HydrophobicContact CD1-SD 3.72Å; L197-M260 HydrophobicContact CD2-SD 4.47Å; L197-M260 HydrophobicContact CG-SD 4.4Å; K255-M260 WeakPolarHBondContact CE-O 3.33Å
261V81.4Confident86.3Confident93 Ų9358.6 Ų58.656%0.56434%0.338SS*.SBendtrans-130.8156.4-177.4-170.60000108.9M263V261-M263 PolarHBondContact O-N 3.2Å
262C88.8Confident86.1Confident16 Ų1658.2 Ų58.211%0.10834%0.336CS..  trans-65.6115.7170.8-56.50000109.6Q238 C249 F254Q238-C262 WeakPolarHBondContact CB-SG 3.3Å; Q238-C262 VanDerWaalsContact CG-SG 3.55Å; Q238-C262 PolarHBondContact OE1-SG 2.76Å; C249-C262 WeakPolarHBondContact CA-SG 3.3Å; C249-C262 HydrophobicContact CB-CB 3.81Å; C249-C262 WeakPolarHBondContact CB-SG 2.99Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 2.85Å; F254-C262 CarbonylContact O-C 3.32Å; F254-C262 WeakPolarHBondContact O-CA 2.89Å
263M88.1Confident86Confident83 Ų8360.6 Ų60.641%0.40935%0.35SS..EExtended strand (participates in β ladder)trans-81138.6173.7-63.3-160.7-68.300109.4S253 F254 D259 V261S253-M263 CarbonylContact C-O 3.42Å; S253-M263 WeakPolarHBondContact CA-O 3.42Å; S253-M263 WeakPolarHBondContact CB-O 3.45Å; F254-M263 HydrophobicContact CE1-CB 4.07Å; F254-M263 HydrophobicContact CE2-CE 3.62Å; F254-M263 HydrophobicContact CZ-CB 4.06Å; F254-M263 HydrophobicContact CZ-CE 3.65Å; F254-M263 PolarHBondContact N-O 3.25Å; F254-M263 PolarHBondContact O-N 3.47Å; D259-M263 VanDerWaalsContact CG-CE 3.4Å; D259-M263 WeakPolarHBondContact OD1-CE 3.21Å; D259-M263 VanDerWaalsContact OD2-CE 3.25Å; D259-M263 WeakPolarHBondContact OD2-CE 3.48Å; V261-M263 PolarHBondContact O-N 3.2Å
264M88.9Confident85.9Confident168 Ų16866.7 Ų66.783%0.82838%0.376SS*.EExtended strand (participates in β ladder)trans-70.3147.7174.3-66.3-161.3179.400110.9
265C90.8Very high85.8Confident18 Ų1867.6 Ų67.612%0.12239%0.385CS..PPolyproline II helixtrans-63.6154.6172.6-71.10000111.4G252 R269 T271 C282G252-C265 VanDerWaalsContact C-SG 3.57Å; G252-C265 PolarHBondContact O-N 2.87Å; G252-C265 PolarHBondContact O-SG 3.14Å; C265-R269 HydrophobicContact CB-CB 4.46Å; C265-R269 WeakPolarHBondContact CB-O 3.4Å; C265-T271 VanDerWaalsContact SG-CG2 3.51Å; C265-C282 VanDerWaalsContact CA-SG 3.51Å; C265-C282 HydrophobicContact CB-CB 3.65Å; C265-C282 WeakPolarHBondContact CB-SG 3.04Å; C265-C282 WeakPolarHBondContact SG-CB 3.17Å; C265-C282 CovalentContact SG-SG 2.04Å; C265-C282 PolarHBondContact SG-SG 3.44Å
266P90.1Very high85.9Confident65 Ų6568 Ų6842%0.42239%0.389SS..SBendtrans-56158.3171.8-23.333.4000112.4G268 R269 L279P266-G268 PolarHBondContact O-N 2.66Å; P266-R269 PolarHBondContact O-N 3.11Å; P266-L279 HydrophobicContact CG-CD1 3.86Å
267T86.3Confident86Confident147 Ų14773.3 Ų73.390%0.90241%0.407SS*.THydrogen-bonded Turntrans-50.3129-175.542.70000112.8R269T267-R269 VanDerWaalsContact C-N 3.3Å; T267-R269 PolarHBondContact O-N 3.02Å
268G83.3Confident86.5Confident45 Ų4571.6 Ų71.646%0.46439%0.393SS..THydrogen-bonded Turntrans76.59.6178.100000115.3P266 K285 I286P266-G268 PolarHBondContact O-N 2.66Å; G268-K285 WeakPolarHBondContact O-CA 3.05Å; G268-I286 PolarHBondContact O-N 2.92Å; G268-I286 VanDerWaalsContact O-N 3.07Å
269R88.4Confident86.9Confident123 Ų12369.5 Ų69.546%0.46438%0.382SS..EExtended strand (participates in β ladder)trans-122.1152.3177.8-61.2-161.7177.4-173.3-4.3112.9C265 P266 T267 C282 I284C265-R269 HydrophobicContact CB-CB 4.46Å; C265-R269 WeakPolarHBondContact CB-O 3.4Å; P266-R269 PolarHBondContact O-N 3.11Å; T267-R269 VanDerWaalsContact C-N 3.3Å; T267-R269 PolarHBondContact O-N 3.02Å; R269-C282 WeakPolarHBondContact CD-O 3.18Å; R269-C282 PolarHBondContact NH1-O 3.17Å; R269-I284 CarbonylContact C-O 3.54Å; R269-I284 WeakPolarHBondContact CA-O 3.29Å
270T89.1Confident87.4Confident3 Ų372.4 Ų72.42%0.01841%0.405CS..EExtended strand (participates in β ladder)trans-139.3173.1-177.1-162.80000111.1I251 G252 C282 I284 I286 D313I251-T270 VanDerWaalsContact CG2-OG1 3.28Å; I251-T270 WeakPolarHBondContact CG2-OG1 3.21Å; G252-T270 PolarHBondContact N-OG1 3.23Å; T270-C282 WeakPolarHBondContact O-CA 3.49Å; T270-I284 HydrophobicContact CG2-CB 3.9Å; T270-I284 HydrophobicContact CG2-CG2 3.72Å; T270-I284 PolarHBondContact N-O 3.37Å; T270-I284 PolarHBondContact O-N 3.13Å; T270-I286 HydrophobicContact CG2-CG1 4.46Å; T270-D313 VanDerWaalsContact CB-OD2 3.23Å; T270-D313 WeakPolarHBondContact CB-OD2 3.27Å; T270-D313 WeakPolarHBondContact CG2-OD2 3.07Å; T270-D313 PolarHBondContact OG1-OD2 3.09Å
271T89.6Confident88.2Confident0 Ų069 Ų690%039%0.392CS..  trans-105.1155.4176.9620000111.4I251 G252 C265 S273 S276 A281I251-T271 WeakPolarHBondContact CA-OG1 3.32Å; I251-T271 WeakPolarHBondContact CG2-O 3.25Å; G252-T271 PolarHBondContact N-OG1 2.8Å; C265-T271 VanDerWaalsContact SG-CG2 3.51Å; T271-S273 PolarHBondContact OG1-O 3.03Å; T271-S276 WeakPolarHBondContact CB-OG 3.46Å; T271-S276 WeakPolarHBondContact CG2-OG 3.49Å; T271-A281 HydrophobicContact CG2-CB 4.23Å
272L83.8Confident88.6Confident61 Ų6164.8 Ų64.832%0.31937%0.366SS..SBendtrans-66.9-43.7-179.6-176.459.7000111.7I284 L293 F298 R315L272-I284 HydrophobicContact CB-CD1 3.59Å; L272-I284 HydrophobicContact CD1-CD1 3.88Å; L272-I284 HydrophobicContact CG-CD1 4.32Å; L272-L293 HydrophobicContact CD1-CD2 4.26Å; L272-F298 HydrophobicContact CD1-CD1 4.28Å; L272-F298 HydrophobicContact CD1-CE1 3.84Å; L272-F298 HydrophobicContact CD2-CE1 3.94Å; L272-F298 HydrophobicContact CG-CE1 4.46Å; L272-R315 PolarHBondContact O-NH2 3.19Å; L272-R315 VanDerWaalsContact O-NH2 3.09Å
273S85.3Confident88.4Confident66 Ų6668.8 Ų68.846%0.46238%0.383SS..SBendtrans-139.4163.7-171.957.50000111.5T271 S276T271-S273 PolarHBondContact OG1-O 3.03Å; S273-S276 PolarHBondContact O-OG 2.84Å; S273-S276 VanDerWaalsContact O-OG 3.11Å
274K88.5Confident88.3Confident134 Ų13465 Ų6558%0.58336%0.364SS*.SBendtrans-60.1159.4168.3-59.7-177.2-178.7-177.70109.9P248 C249 I251P248-K274 HydrophobicContact CB-CB 4.22Å; C249-K274 CarbonylContact O-C 3.41Å; C249-K274 WeakPolarHBondContact O-CA 3.45Å; C249-K274 WeakPolarHBondContact O-CB 3.33Å; I251-K274 HydrophobicContact CG1-CG 4.2Å
275A90.1Very high88.2Confident29 Ų2964.3 Ų64.324%0.2436%0.357CS..SBendtrans63.53618000000116.6G236 P248 C249G236-A275 WeakPolarHBondContact O-CA 3.12Å; G236-A275 VanDerWaalsContact O-CB 3.3Å; G236-A275 WeakPolarHBondContact O-CB 3.38Å; P248-A275 HydrophobicContact CB-CB 3.71Å; C249-A275 PolarHBondContact O-N 2.04Å
276S93.1Very high87.9Confident10 Ų1065.9 Ų65.97%0.0736%0.363CS..BIsolated β-bridgetrans-65.1135.2175.1-71.50000112G236 S253 F254 K255 T271 S273G236-S276 WeakPolarHBondContact CA-O 3.39Å; S253-S276 WeakPolarHBondContact O-CB 3.2Å; F254-S276 CarbonylContact C-O 3.52Å; F254-S276 VanDerWaalsContact CA-O 3.25Å; F254-S276 WeakPolarHBondContact CA-O 3.26Å; K255-S276 PolarHBondContact N-O 3.47Å; T271-S276 WeakPolarHBondContact CB-OG 3.46Å; T271-S276 WeakPolarHBondContact CG2-OG 3.49Å; S273-S276 PolarHBondContact O-OG 2.84Å; S273-S276 VanDerWaalsContact O-OG 3.11Å
277K91.7Very high87.8Confident142 Ų14262.8 Ų62.862%0.61734%0.343SS*.  trans-102.5-7.3-168.6-60.1-179.7-177.4174.10115A235 K255 S256A235-K277 HydrophobicContact CB-CB 4.32Å; A235-K277 HydrophobicContact CB-CG 4.26Å; K255-K277 CarbonylContact O-C 3.41Å; K255-K277 WeakPolarHBondContact O-CA 3.4Å; S256-K277 VanDerWaalsContact CA-O 3.3Å; S256-K277 WeakPolarHBondContact CA-O 3.08Å
278A90.4Very high87.9Confident35 Ų3562.3 Ų62.329%0.28933%0.329SS..SBendtrans-158.6158.8-174.400000111.6S280 A281A278-S280 PolarHBondContact O-N 3.47Å; A278-A281 VanDerWaalsContact O-CB 3.26Å; A278-A281 WeakPolarHBondContact O-CB 3.28Å; A278-A281 PolarHBondContact O-N 2.84Å
279L88.5Confident88.3Confident93 Ų9361.9 Ų61.949%0.48732%0.318SS..G310 helixtrans-60.7-27.2176.3-178.663000112.6F254 P266 A281 C282F254-L279 HydrophobicContact CD1-CD1 4.37Å; F254-L279 HydrophobicContact CD2-CB 4.44Å; F254-L279 VanDerWaalsContact CD2-N 3.3Å; F254-L279 HydrophobicContact CE1-CB 4.18Å; F254-L279 HydrophobicContact CE1-CD1 3.49Å; F254-L279 VanDerWaalsContact CE1-CD1 3.49Å; F254-L279 HydrophobicContact CE1-CG 4.44Å; F254-L279 HydrophobicContact CE2-CB 3.79Å; F254-L279 HydrophobicContact CZ-CB 3.64Å; F254-L279 HydrophobicContact CZ-CD1 3.6Å; F254-L279 HydrophobicContact CZ-CG 4.16Å; P266-L279 HydrophobicContact CG-CD1 3.86Å; L279-A281 PolarHBondContact O-N 2.69Å; L279-C282 HydrophobicContact CD1-CB 4.24Å; L279-C282 VanDerWaalsContact O-CB 3.29Å; L279-C282 WeakPolarHBondContact O-CB 3.38Å; L279-C282 PolarHBondContact O-N 3.42Å
280S87.8Confident88.3Confident96 Ų9656.1 Ų56.167%0.67130%0.296SS*.G310 helixtrans-61.5-21.417556.60000112.9A278 C282 H283A278-S280 PolarHBondContact O-N 3.47Å; S280-C282 PolarHBondContact O-N 2.73Å; S280-H283 PolarHBondContact O-ND1 2.78Å
281A88.1Confident88.4Confident23 Ų2357.4 Ų57.419%0.1930%0.304CS..G310 helixtrans-71.2-19.3172.500000112.9T271 A278 L279 H283T271-A281 HydrophobicContact CG2-CB 4.23Å; A278-A281 VanDerWaalsContact O-CB 3.26Å; A278-A281 WeakPolarHBondContact O-CB 3.28Å; A278-A281 PolarHBondContact O-N 2.84Å; L279-A281 PolarHBondContact O-N 2.69Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 2.77Å; A281-H283 VanDerWaalsContact O-N 3.13Å; A281-H283 PolarHBondContact O-ND1 3.49Å
282C89.3Confident88.4Confident3 Ų359.5 Ų59.52%0.0232%0.315CS..THydrogen-bonded Turntrans-85.257.6176.1-60.10000111.8F254 C265 R269 T270 L279 S280F254-C282 WeakPolarHBondContact CD1-SG 3.46Å; C265-C282 VanDerWaalsContact CA-SG 3.51Å; C265-C282 HydrophobicContact CB-CB 3.65Å; C265-C282 WeakPolarHBondContact CB-SG 3.04Å; C265-C282 WeakPolarHBondContact SG-CB 3.17Å; C265-C282 CovalentContact SG-SG 2.04Å; C265-C282 PolarHBondContact SG-SG 3.44Å; R269-C282 WeakPolarHBondContact CD-O 3.18Å; R269-C282 PolarHBondContact NH1-O 3.17Å; T270-C282 WeakPolarHBondContact O-CA 3.49Å; L279-C282 HydrophobicContact CD1-CB 4.24Å; L279-C282 VanDerWaalsContact O-CB 3.29Å; L279-C282 WeakPolarHBondContact O-CB 3.38Å; L279-C282 PolarHBondContact O-N 3.42Å; S280-C282 PolarHBondContact O-N 2.73Å
283H86.3Confident88.6Confident101 Ų10157.1 Ų57.147%0.46830%0.303SS..THydrogen-bonded Turntrans-112.1-9.1178.160-88.4000113.3S280 A281S280-H283 PolarHBondContact O-ND1 2.78Å; A281-H283 VanDerWaalsContact C-N 3.27Å; A281-H283 PolarHBondContact O-N 2.77Å; A281-H283 VanDerWaalsContact O-N 3.13Å; A281-H283 PolarHBondContact O-ND1 3.49Å
284I85.4Confident88.6Confident2 Ų255.6 Ų55.61%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-85.4135.6179.9-60.8168.1000108.2R269 T270 L272 L293 F298R269-I284 CarbonylContact C-O 3.54Å; R269-I284 WeakPolarHBondContact CA-O 3.29Å; T270-I284 HydrophobicContact CG2-CB 3.9Å; T270-I284 HydrophobicContact CG2-CG2 3.72Å; T270-I284 PolarHBondContact N-O 3.37Å; T270-I284 PolarHBondContact O-N 3.13Å; L272-I284 HydrophobicContact CB-CD1 3.59Å; L272-I284 HydrophobicContact CD1-CD1 3.88Å; L272-I284 HydrophobicContact CG-CD1 4.32Å; I284-L293 HydrophobicContact CD1-CD2 4.3Å; I284-L293 HydrophobicContact CG2-CD1 3.54Å; I284-L293 HydrophobicContact CG2-CD2 3.83Å; I284-L293 HydrophobicContact CG2-CG 4.35Å; I284-F298 HydrophobicContact CD1-CD1 3.98Å; I284-F298 HydrophobicContact CD1-CE1 4.46Å; I284-F298 HydrophobicContact CG1-CD1 4.22Å
285K85.6Confident88.1Confident155 Ų15554.2 Ų54.267%0.67429%0.285SS*.EExtended strand (participates in β ladder)trans-77.9142.4174.2-67.3-173.4179.7-1780109.7G268 C287G268-K285 WeakPolarHBondContact O-CA 3.05Å; K285-C287 PolarHBondContact O-N 2.75Å
286I85.8Confident87.7Confident50 Ų5057.3 Ų57.326%0.25631%0.305SS..PPolyproline II helixtrans-61.5128174-66170.1000108.8G268 T270 Y312 D313G268-I286 PolarHBondContact O-N 2.92Å; G268-I286 VanDerWaalsContact O-N 3.07Å; T270-I286 HydrophobicContact CG2-CG1 4.46Å; I286-Y312 HydrophobicContact CG2-CD1 4.11Å; I286-D313 VanDerWaalsContact CA-OD1 3.26Å; I286-D313 WeakPolarHBondContact CA-OD1 3.08Å
287C87.7Confident87.2Confident0 Ų060 Ų600%032%0.321CS..PPolyproline II helixtrans-81.3127175.3-63.10000109.9K285 T291 C300 D313K285-C287 PolarHBondContact O-N 2.75Å; C287-T291 WeakPolarHBondContact CB-OG1 3.37Å; C287-C300 WeakPolarHBondContact CA-SG 3.23Å; C287-C300 HydrophobicContact CB-CB 3.83Å; C287-C300 WeakPolarHBondContact CB-SG 3.45Å; C287-C300 WeakPolarHBondContact SG-CB 3.33Å; C287-C300 CovalentContact SG-SG 2.05Å; C287-C300 PolarHBondContact SG-SG 3.3Å; C287-D313 PolarHBondContact N-OD1 2.86Å; C287-D313 PolarHBondContact O-N 2.04Å
288F88.8Confident86.7Confident138 Ų13857.6 Ų57.661%0.60531%0.31SS*.PPolyproline II helixtrans-75.8157.4179.4-64.9-80.7000110.5G290 T291 Y312F288-G290 PolarHBondContact O-N 3.43Å; F288-T291 PolarHBondContact N-OG1 2.85Å; F288-T291 PolarHBondContact O-N 3.14Å; F288-T291 PolarHBondContact O-OG1 2.99Å; F288-Y312 HydrophobicContact CD1-CD1 4.45Å; F288-Y312 AromaticContact CD1-CE1 3.87Å; F288-Y312 HydrophobicContact CD1-CE1 3.87Å; F288-Y312 HydrophobicContact CE1-CE1 4.44Å
289P90.9Very high86.4Confident36 Ų3662.8 Ų62.823%0.23433%0.326CS..THydrogen-bonded Turntrans-48.4135.5171.2-29.937.3000111.7M309 Y312 N332P289-M309 CarbonylContact C-O 3.55Å; P289-M309 WeakPolarHBondContact CA-O 3.46Å; P289-M309 WeakPolarHBondContact CB-O 3.22Å; P289-Y312 HydrophobicContact CG-CD1 4.44Å; P289-Y312 HydrophobicContact CG-CD2 4.18Å; P289-Y312 HydrophobicContact CG-CE1 4.3Å; P289-Y312 HydrophobicContact CG-CE2 4.01Å; P289-Y312 HydrophobicContact CG-CG 4.39Å; P289-N332 HydrophobicContact CB-CB 3.81Å
290G89.4Confident86.4Confident1 Ų160.6 Ų60.61%0.0132%0.318CS..THydrogen-bonded Turntrans91-8.6-170.800000114.5F288 P302 C303 M309 G330 A331F288-G290 PolarHBondContact O-N 3.43Å; G290-P302 WeakPolarHBondContact O-CA 3.08Å; G290-C303 PolarHBondContact O-N 2.6Å; G290-M309 PolarHBondContact N-O 3.42Å; G290-G330 WeakPolarHBondContact CA-O 3.34Å; G290-G330 VanDerWaalsContact O-CA 3.22Å; G290-G330 WeakPolarHBondContact O-CA 3.12Å; G290-A331 WeakPolarHBondContact CA-O 3.32Å
291T91.1Very high86.5Confident30 Ų3060.5 Ų60.518%0.18431%0.307CS..EExtended strand (participates in β ladder)trans-121.7152.2178.263.50000112.4C287 F288 E301C287-T291 WeakPolarHBondContact CB-OG1 3.37Å; F288-T291 PolarHBondContact N-OG1 2.85Å; F288-T291 PolarHBondContact O-N 3.14Å; F288-T291 PolarHBondContact O-OG1 2.99Å; T291-E301 CarbonylContact C-O 3.49Å; T291-E301 WeakPolarHBondContact CA-O 3.2Å; T291-E301 WeakPolarHBondContact CB-O 3.27Å
292I89.8Confident86.7Confident44 Ų4462.3 Ų62.323%0.22632%0.317CS..EExtended strand (participates in β ladder)trans-121.4149.9173.955.3167.5000110.3D294 C300 E301 M309 C317I292-D294 PolarHBondContact O-N 3.43Å; I292-C300 CarbonylContact O-C 3.53Å; I292-C300 VanDerWaalsContact O-CA 3.28Å; I292-C300 WeakPolarHBondContact O-CA 3.4Å; I292-E301 PolarHBondContact N-O 3.37Å; I292-E301 PolarHBondContact O-N 3.05Å; I292-M309 HydrophobicContact CG2-CE 3.55Å; I292-C317 WeakPolarHBondContact CG2-SG 3.38Å
293L87.5Confident86.9Confident11 Ų1162.2 Ų62.26%0.05832%0.317CS..EExtended strand (participates in β ladder)trans-78.3116.5175.6-177.370.3000110L272 I284 H295L272-L293 HydrophobicContact CD1-CD2 4.26Å; I284-L293 HydrophobicContact CD1-CD2 4.3Å; I284-L293 HydrophobicContact CG2-CD1 3.54Å; I284-L293 HydrophobicContact CG2-CD2 3.83Å; I284-L293 HydrophobicContact CG2-CG 4.35Å; L293-H295 PolarHBondContact O-N 2.68Å
294D85.9Confident87.1Confident34 Ų3462.3 Ų62.318%0.18232%0.321CS..  trans-73.2118.2165.6171.721000109.5I292 S296 T297 F298 K299 E301I292-D294 PolarHBondContact O-N 3.43Å; D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 3.09Å; D294-S296 WeakPolarHBondContact OD1-CB 3.35Å; D294-S296 PolarHBondContact OD1-N 2.88Å; D294-S296 PolarHBondContact OD1-OG 2.8Å; D294-S296 PolarHBondContact OD2-OG 3.24Å; D294-T297 VanDerWaalsContact OD2-CB 3.27Å; D294-T297 WeakPolarHBondContact OD2-CB 3.26Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.49Å; D294-T297 PolarHBondContact OD2-N 2.79Å; D294-T297 VanDerWaalsContact OD2-N 3.09Å; D294-T297 PolarHBondContact OD2-OG1 3.42Å; D294-F298 VanDerWaalsContact O-CA 3.22Å; D294-F298 WeakPolarHBondContact O-CA 3.23Å; D294-F298 PolarHBondContact O-N 3.31Å; D294-K299 PolarHBondContact N-O 2.86Å; D294-E301 HydrophobicContact CB-CG 4.15Å
295H77.7Confident87.3Confident105 Ų10565.4 Ų65.449%0.48633%0.334SS..THydrogen-bonded Turntrans-67.3-19.8-179.9-80-91.3000113.4L293L293-H295 PolarHBondContact O-N 2.68Å
296S81.8Confident87.4Confident95 Ų9558.9 Ų58.966%0.66431%0.311SS*.THydrogen-bonded Turntrans-85.8-40-17975.10000112.5D294D294-S296 VanDerWaalsContact CG-OG 3.23Å; D294-S296 PolarHBondContact O-N 3.09Å; D294-S296 WeakPolarHBondContact OD1-CB 3.35Å; D294-S296 PolarHBondContact OD1-N 2.88Å; D294-S296 PolarHBondContact OD1-OG 2.8Å; D294-S296 PolarHBondContact OD2-OG 3.24Å
297T82.4Confident87.8Confident65 Ų6557.9 Ų57.940%0.39931%0.307SS..THydrogen-bonded Turntrans-102.1-9.3-179.364.20000114.3D294 K299D294-T297 VanDerWaalsContact OD2-CB 3.27Å; D294-T297 WeakPolarHBondContact OD2-CB 3.26Å; D294-T297 WeakPolarHBondContact OD2-CG2 3.49Å; D294-T297 PolarHBondContact OD2-N 2.79Å; D294-T297 VanDerWaalsContact OD2-N 3.09Å; D294-T297 PolarHBondContact OD2-OG1 3.42Å; T297-K299 PolarHBondContact O-N 2.86Å; T297-K299 PolarHBondContact OG1-N 3.09Å
298F79.7Confident88Confident92 Ų9259.3 Ų59.340%0.40431%0.313SS..  trans53.829.6-171.1-57.7-73.4000113.3L272 I284 D294L272-F298 HydrophobicContact CD1-CD1 4.28Å; L272-F298 HydrophobicContact CD1-CE1 3.84Å; L272-F298 HydrophobicContact CD2-CE1 3.94Å; L272-F298 HydrophobicContact CG-CE1 4.46Å; I284-F298 HydrophobicContact CD1-CD1 3.98Å; I284-F298 HydrophobicContact CD1-CE1 4.46Å; I284-F298 HydrophobicContact CG1-CD1 4.22Å; D294-F298 VanDerWaalsContact O-CA 3.22Å; D294-F298 WeakPolarHBondContact O-CA 3.23Å; D294-F298 PolarHBondContact O-N 3.31Å
299K85Confident88.3Confident144 Ų14452.9 Ų52.963%0.62629%0.285SS*.  trans-111.4152.1178-67.7176.5-177.51760110.4D294 T297D294-K299 PolarHBondContact N-O 2.86Å; T297-K299 PolarHBondContact O-N 2.86Å; T297-K299 PolarHBondContact OG1-N 3.09Å
300C88.3Confident88.3Confident47 Ų4754.5 Ų54.532%0.31829%0.291SS..EExtended strand (participates in β ladder)trans-84.5117.8174.4-56.20000109.1C287 I292C287-C300 WeakPolarHBondContact CA-SG 3.23Å; C287-C300 HydrophobicContact CB-CB 3.83Å; C287-C300 WeakPolarHBondContact CB-SG 3.45Å; C287-C300 WeakPolarHBondContact SG-CB 3.33Å; C287-C300 CovalentContact SG-SG 2.05Å; C287-C300 PolarHBondContact SG-SG 3.3Å; I292-C300 CarbonylContact O-C 3.53Å; I292-C300 VanDerWaalsContact O-CA 3.28Å; I292-C300 WeakPolarHBondContact O-CA 3.4Å
301E90.3Very high88.3Confident95 Ų9559.4 Ų59.444%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-106.4144.6177.8-63.8-168.6153.500110.1T291 I292 D294T291-E301 CarbonylContact C-O 3.49Å; T291-E301 WeakPolarHBondContact CA-O 3.2Å; T291-E301 WeakPolarHBondContact CB-O 3.27Å; I292-E301 PolarHBondContact N-O 3.37Å; I292-E301 PolarHBondContact O-N 3.05Å; D294-E301 HydrophobicContact CB-CG 4.15Å
302P92.6Very high88Confident61 Ų6165.3 Ų65.340%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-68.6145.6-18029.9-34.6000111.4G290 Q329G290-P302 WeakPolarHBondContact O-CA 3.08Å; P302-Q329 HydrophobicContact CB-CB 4.29Å
303C92.5Very high87.6Confident1 Ų164.6 Ų64.61%0.00733%0.33CS..PPolyproline II helixtrans-60.7138.1170.8-74.40000111.3G290 C317 Q329 G330G290-C303 PolarHBondContact O-N 2.6Å; C303-C317 WeakPolarHBondContact CA-SG 3.06Å; C303-C317 HydrophobicContact CB-CB 3.86Å; C303-C317 WeakPolarHBondContact CB-SG 3.4Å; C303-C317 WeakPolarHBondContact SG-CB 3.08Å; C303-C317 CovalentContact SG-SG 2.04Å; C303-C317 PolarHBondContact SG-SG 2.93Å; C303-Q329 CarbonylContact O-C 3.56Å; C303-Q329 WeakPolarHBondContact O-CA 3.44Å; C303-G330 PolarHBondContact O-N 2.85Å
304D91.8Very high87.3Confident103 Ų10364.4 Ų64.455%0.55133%0.331SS*.PPolyproline II helixtrans-70.2165.7177.4-81.3-37.3000112.9T307 Q329D304-T307 PolarHBondContact N-OG1 2.82Å; D304-T307 PolarHBondContact O-N 2.8Å; D304-T307 VanDerWaalsContact O-N 3.1Å; D304-T307 PolarHBondContact O-OG1 2.71Å; D304-Q329 PolarHBondContact OD1-NE2 2.86Å
305F89.4Confident87Confident67 Ų6766.7 Ų66.729%0.29434%0.337SS..THydrogen-bonded Turntrans-54143.2176.9-58-82.3000112.2T307 T326 Q329 H364F305-T307 PolarHBondContact O-N 3.37Å; F305-T326 WeakPolarHBondContact CD1-O 3.22Å; F305-Q329 HydrophobicContact CD2-CG 4.15Å; F305-Q329 HydrophobicContact CE1-CG 4.22Å; F305-Q329 HydrophobicContact CE2-CG 3.75Å; F305-Q329 HydrophobicContact CZ-CG 3.8Å; F305-H364 WeakPolarHBondContact CB-ND1 3Å; F305-H364 HydrophobicContact CD1-CB 3.82Å; F305-H364 AromaticContact CD1-CG 3.77Å; F305-H364 AromaticContact CD1-ND1 3.94Å; F305-H364 AromaticContact CD2-CD2 3.57Å; F305-H364 AromaticContact CD2-CE1 3.66Å; F305-H364 AromaticContact CD2-CG 3.75Å; F305-H364 AromaticContact CD2-ND1 3.8Å; F305-H364 AromaticContact CD2-NE2 3.53Å; F305-H364 HydrophobicContact CE1-CB 3.89Å; F305-H364 AromaticContact CE2-CD2 3.69Å; F305-H364 HydrophobicContact CG-CB 4.18Å; F305-H364 AromaticContact CG-CD2 3.93Å; F305-H364 AromaticContact CG-CE1 3.7Å; F305-H364 AromaticContact CG-CG 3.59Å; F305-H364 AromaticContact CG-ND1 3.44Å; F305-H364 WeakPolarHBondContact CG-ND1 3.26Å; F305-H364 HydrophobicContact CZ-CB 4.3Å
306G87.6Confident87.5Confident18 Ų1868.4 Ų68.419%0.18635%0.349CS..THydrogen-bonded Turntrans75.92.1-17500000114.3C320 T325 T326G306-C320 WeakPolarHBondContact O-CB 3.42Å; G306-C320 PolarHBondContact O-N 2.05Å; G306-T325 WeakPolarHBondContact CA-OG1 3.28Å; G306-T326 PolarHBondContact N-OG1 3.41Å
307T92.7Very high87.9Confident28 Ų2864.8 Ų64.817%0.17232%0.323CS..EExtended strand (participates in β ladder)trans-128.9159.5176.775.10000111.9D304 F305 C317 K318 T326D304-T307 PolarHBondContact N-OG1 2.82Å; D304-T307 PolarHBondContact O-N 2.8Å; D304-T307 VanDerWaalsContact O-N 3.1Å; D304-T307 PolarHBondContact O-OG1 2.71Å; F305-T307 PolarHBondContact O-N 3.37Å; T307-C317 HydrophobicContact CG2-CB 4.38Å; T307-C317 WeakPolarHBondContact OG1-CB 3.43Å; T307-K318 CarbonylContact C-O 3.39Å; T307-K318 WeakPolarHBondContact CA-O 3.41Å; T307-K318 WeakPolarHBondContact CB-O 3.18Å; T307-T326 PolarHBondContact O-OG1 3.1Å
308Y93.7Very high88.4Confident31 Ų3164.9 Ų64.912%0.12232%0.318CS..EExtended strand (participates in β ladder)trans-146.6160.4179.872.9-85.7000112D310 C317 K318 A331 A334Y308-D310 HydrophobicContact CD2-CB 4.46Å; Y308-D310 HydrophobicContact CE2-CB 4.41Å; Y308-C317 CarbonylContact O-C 3.58Å; Y308-K318 HydrophobicContact CD1-CB 4.15Å; Y308-K318 WeakPolarHBondContact CD1-O 3.43Å; Y308-K318 HydrophobicContact CD2-CB 4.39Å; Y308-K318 HydrophobicContact CE1-CB 3.74Å; Y308-K318 HydrophobicContact CE2-CB 4Å; Y308-K318 HydrophobicContact CE2-CD 3.91Å; Y308-K318 HydrophobicContact CG-CB 4.46Å; Y308-K318 PolarHBondContact N-O 3.07Å; Y308-K318 PolarHBondContact O-N 2.05Å; Y308-A331 CarbonylContact C-O 3.57Å; Y308-A331 WeakPolarHBondContact CA-O 3.01Å; Y308-A331 WeakPolarHBondContact CB-O 3.42Å; Y308-A334 HydrophobicContact CD2-CB 4.37Å; Y308-A334 HydrophobicContact CE1-CB 4.08Å; Y308-A334 HydrophobicContact CE2-CB 3.76Å
309M93.2Very high89.1Confident3 Ų365.7 Ų65.72%0.01533%0.331CS..  trans-137112173.8-18066.484.100110.7P289 G290 I292 E311 I316 A331 N332P289-M309 CarbonylContact C-O 3.55Å; P289-M309 WeakPolarHBondContact CA-O 3.46Å; P289-M309 WeakPolarHBondContact CB-O 3.22Å; G290-M309 PolarHBondContact N-O 3.42Å; I292-M309 HydrophobicContact CG2-CE 3.55Å; M309-E311 WeakPolarHBondContact CG-O 3.13Å; M309-E311 HydrophobicContact SD-CB 4.35Å; M309-I316 WeakPolarHBondContact CE-O 3.43Å; M309-A331 PolarHBondContact N-O 3.06Å; M309-N332 CarbonylContact O-C 3.51Å; M309-N332 VanDerWaalsContact O-CA 3.26Å; M309-N332 WeakPolarHBondContact O-CA 3.32Å
310D92.1Very high89.4Confident69 Ų6959.6 Ų59.637%0.36931%0.306SS..  trans-98.4-3.4-179.456.8-15000114.3Y308 K318 N332Y308-D310 HydrophobicContact CD2-CB 4.46Å; Y308-D310 HydrophobicContact CE2-CB 4.41Å; D310-K318 WeakPolarHBondContact OD1-CE 3.34Å; D310-K318 IonicContact OD1-NZ 3.74Å; D310-K318 PolarHBondContact OD1-NZ 3.28Å; D310-K318 IonicContact OD2-NZ 2.71Å; D310-N332 VanDerWaalsContact CA-O 3.23Å; D310-N332 WeakPolarHBondContact CA-O 3.47Å
311E89.5Confident89.5Confident104 Ų10460.8 Ų60.849%0.48631%0.313SS..SBendtrans-108.3150.3179.8-68.7169.4-149.500111.4M309 K318M309-E311 WeakPolarHBondContact CG-O 3.13Å; M309-E311 HydrophobicContact SD-CB 4.35Å; E311-K318 IonicContact OE1-NZ 3.5Å; E311-K318 PolarHBondContact OE1-NZ 2.81Å
312Y84.7Confident89.3Confident154 Ų15462.5 Ų62.560%0.60433%0.33SS*.THydrogen-bonded Turntrans-73.3143.2168.2-70.6-94.2000109.9I286 F288 P289 G314I286-Y312 HydrophobicContact CG2-CD1 4.11Å; F288-Y312 HydrophobicContact CD1-CD1 4.45Å; F288-Y312 AromaticContact CD1-CE1 3.87Å; F288-Y312 HydrophobicContact CD1-CE1 3.87Å; F288-Y312 HydrophobicContact CE1-CE1 4.44Å; P289-Y312 HydrophobicContact CG-CD1 4.44Å; P289-Y312 HydrophobicContact CG-CD2 4.18Å; P289-Y312 HydrophobicContact CG-CE1 4.3Å; P289-Y312 HydrophobicContact CG-CE2 4.01Å; P289-Y312 HydrophobicContact CG-CG 4.39Å; Y312-G314 PolarHBondContact O-N 2.78Å; Y312-G314 VanDerWaalsContact O-N 3.14Å
313D81.3Confident88.9Confident29 Ų2963 Ų6316%0.15534%0.335CS..THydrogen-bonded Turntrans5723.2179.2-83.7-8.3000115.1T270 I286 C287 R315T270-D313 VanDerWaalsContact CB-OD2 3.23Å; T270-D313 WeakPolarHBondContact CB-OD2 3.27Å; T270-D313 WeakPolarHBondContact CG2-OD2 3.07Å; T270-D313 PolarHBondContact OG1-OD2 3.09Å; I286-D313 VanDerWaalsContact CA-OD1 3.26Å; I286-D313 WeakPolarHBondContact CA-OD1 3.08Å; C287-D313 PolarHBondContact N-OD1 2.86Å; C287-D313 PolarHBondContact O-N 2.04Å; D313-R315 PolarHBondContact O-NH1 2.68Å
314G80.8Confident88.7Confident8 Ų864 Ų648%0.08234%0.341CS..  trans-62.8145.9178.400000112.3Y312Y312-G314 PolarHBondContact O-N 2.78Å; Y312-G314 VanDerWaalsContact O-N 3.14Å
315R80.8Confident88.5Confident81 Ų8160.4 Ų60.431%0.30632%0.323SS..SBendtrans-95.6-24.9-173.2-65.4-63.6-167.5-99.812.6113.9L272 D313L272-R315 PolarHBondContact O-NH2 3.19Å; L272-R315 VanDerWaalsContact O-NH2 3.09Å; D313-R315 PolarHBondContact O-NH1 2.68Å
316I87.2Confident88.5Confident141 Ų14157.2 Ų57.272%0.72331%0.309SS*.SBendtrans-141.2125.9-174.4-55.5175.6000107.8M309 K318M309-I316 WeakPolarHBondContact CE-O 3.43Å; I316-K318 PolarHBondContact O-N 3.33Å
317C91Very high88.4Confident20 Ų2058.3 Ų58.314%0.13531%0.308CS..PPolyproline II helixtrans-63.9131.4174-58.50000109.9I292 C303 T307 Y308I292-C317 WeakPolarHBondContact CG2-SG 3.38Å; C303-C317 WeakPolarHBondContact CA-SG 3.06Å; C303-C317 HydrophobicContact CB-CB 3.86Å; C303-C317 WeakPolarHBondContact CB-SG 3.4Å; C303-C317 WeakPolarHBondContact SG-CB 3.08Å; C303-C317 CovalentContact SG-SG 2.04Å; C303-C317 PolarHBondContact SG-SG 2.93Å; T307-C317 HydrophobicContact CG2-CB 4.38Å; T307-C317 WeakPolarHBondContact OG1-CB 3.43Å; Y308-C317 CarbonylContact O-C 3.58Å
318K92.9Very high88.1Confident66 Ų6661.9 Ų61.929%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-73135.1176.2-63.4175.6-177.7171.20108.7T307 Y308 D310 E311 I316T307-K318 CarbonylContact C-O 3.39Å; T307-K318 WeakPolarHBondContact CA-O 3.41Å; T307-K318 WeakPolarHBondContact CB-O 3.18Å; Y308-K318 HydrophobicContact CD1-CB 4.15Å; Y308-K318 WeakPolarHBondContact CD1-O 3.43Å; Y308-K318 HydrophobicContact CD2-CB 4.39Å; Y308-K318 HydrophobicContact CE1-CB 3.74Å; Y308-K318 HydrophobicContact CE2-CB 4Å; Y308-K318 HydrophobicContact CE2-CD 3.91Å; Y308-K318 HydrophobicContact CG-CB 4.46Å; Y308-K318 PolarHBondContact N-O 3.07Å; Y308-K318 PolarHBondContact O-N 2.05Å; D310-K318 WeakPolarHBondContact OD1-CE 3.34Å; D310-K318 IonicContact OD1-NZ 3.74Å; D310-K318 PolarHBondContact OD1-NZ 3.28Å; D310-K318 IonicContact OD2-NZ 2.71Å; E311-K318 IonicContact OE1-NZ 3.5Å; E311-K318 PolarHBondContact OE1-NZ 2.81Å; I316-K318 PolarHBondContact O-N 3.33Å
319T93.3Very high88Confident109 Ų10965.4 Ų65.467%0.66934%0.34SS*.EExtended strand (participates in β ladder)trans-72.7142.9175.652.30000110.5
320C91.6Very high87.8Confident17 Ų1766.2 Ų66.212%0.11535%0.349CS..PPolyproline II helixtrans-60.2151172.6-77.30000111.9G306 C337G306-C320 WeakPolarHBondContact O-CB 3.42Å; G306-C320 PolarHBondContact O-N 2.05Å; C320-C337 WeakPolarHBondContact CA-SG 3.14Å; C320-C337 HydrophobicContact CB-CB 3.71Å; C320-C337 WeakPolarHBondContact CB-SG 3.26Å; C320-C337 WeakPolarHBondContact SG-CB 3.49Å; C320-C337 CovalentContact SG-SG 2.05Å; C320-C337 PolarHBondContact SG-SG 3.32Å
321P90.2Very high87.9Confident71 Ų7162.9 Ų62.946%0.46133%0.331SS..PPolyproline II helixtrans-55.2161.8172.8-25.434000113.7S323 T324P321-S323 PolarHBondContact O-N 3.43Å; P321-T324 WeakPolarHBondContact CD-OG1 3.38Å; P321-T324 PolarHBondContact O-N 2.86Å; P321-T324 VanDerWaalsContact O-N 3.09Å; P321-T324 PolarHBondContact O-OG1 2.77Å
322V86.3Confident88Confident131 Ų13161.1 Ų61.179%0.79433%0.325SS*.THydrogen-bonded Turntrans-53.1137.2179.8-65.60000111.9T324V322-T324 PolarHBondContact O-N 3.37Å
323S83.8Confident88.4Confident71 Ų7156.3 Ų56.350%0.49731%0.312SS..THydrogen-bonded Turntrans60.822.4-178.9-52.70000115.2P321 W339 T340P321-S323 PolarHBondContact O-N 3.43Å; S323-W339 VanDerWaalsContact CB-CZ3 3.48Å; S323-W339 WeakPolarHBondContact O-CA 3.48Å; S323-T340 PolarHBondContact O-N 3.01Å; S323-T340 PolarHBondContact O-OG1 3.19Å
324T88Confident88.8Confident23 Ų2356.9 Ų56.914%0.14132%0.321CS..EExtended strand (participates in β ladder)trans-128.9155.3172.167.40000111.6P321 V322 E338 W339P321-T324 WeakPolarHBondContact CD-OG1 3.38Å; P321-T324 PolarHBondContact O-N 2.86Å; P321-T324 VanDerWaalsContact O-N 3.09Å; P321-T324 PolarHBondContact O-OG1 2.77Å; V322-T324 PolarHBondContact O-N 3.37Å; T324-E338 CarbonylContact C-O 3.51Å; T324-E338 WeakPolarHBondContact CA-O 3.44Å; T324-E338 VanDerWaalsContact CB-O 3.32Å; T324-E338 WeakPolarHBondContact CB-O 3.35Å; T324-W339 HydrophobicContact CG2-CD2 4.28Å; T324-W339 HydrophobicContact CG2-CG 4.36Å
325T89.3Confident89.2Confident27 Ų2765.7 Ų65.717%0.16636%0.357CS..EExtended strand (participates in β ladder)trans-150.2160.7177.5-1660000110.7G306 Y327 E338 T340G306-T325 WeakPolarHBondContact CA-OG1 3.28Å; T325-Y327 HydrophobicContact CG2-CD1 4.25Å; T325-Y327 HydrophobicContact CG2-CD2 4.44Å; T325-Y327 HydrophobicContact CG2-CE1 3.7Å; T325-Y327 HydrophobicContact CG2-CE2 3.9Å; T325-Y327 VanDerWaalsContact CG2-CZ 3.49Å; T325-E338 PolarHBondContact N-O 3.33Å; T325-E338 PolarHBondContact O-N 3.24Å; T325-T340 HydrophobicContact CG2-CG2 3.72Å
326T89.8Confident89.6Confident0 Ų064.2 Ų64.20%035%0.354CS..  trans-96.8131.7170.350.30000109.1F305 G306 T307 Q328 A331 M336F305-T326 WeakPolarHBondContact CD1-O 3.22Å; G306-T326 PolarHBondContact N-OG1 3.41Å; T307-T326 PolarHBondContact O-OG1 3.1Å; T326-Q328 VanDerWaalsContact C-N 3.35Å; T326-A331 HydrophobicContact CG2-CB 3.35Å; T326-M336 HydrophobicContact CG2-CB 4.23Å; T326-M336 WeakPolarHBondContact CG2-O 3.38Å
327Y84.4Confident89.7Confident42 Ų4258.2 Ų58.217%0.16532%0.324CS..SBendtrans-969.9177.3-59.5-78.8000112.9T325 E338 W339 D361 H364 K366T325-Y327 HydrophobicContact CG2-CD1 4.25Å; T325-Y327 HydrophobicContact CG2-CD2 4.44Å; T325-Y327 HydrophobicContact CG2-CE1 3.7Å; T325-Y327 HydrophobicContact CG2-CE2 3.9Å; T325-Y327 VanDerWaalsContact CG2-CZ 3.49Å; Y327-E338 HydrophobicContact CD2-CB 4.3Å; Y327-E338 WeakPolarHBondContact CD2-OE2 3.44Å; Y327-E338 HydrophobicContact CE2-CB 3.93Å; Y327-W339 PolarHBondContact OH-O 3.2Å; Y327-D361 PolarHBondContact OH-OD2 2.04Å; Y327-H364 WeakPolarHBondContact CD1-O 3.46Å; Y327-K366 HydrophobicContact CD1-CG 4.3Å; Y327-K366 HydrophobicContact CD2-CG 4.25Å; Y327-K366 HydrophobicContact CE1-CG 3.8Å; Y327-K366 HydrophobicContact CE2-CD 4.24Å; Y327-K366 VanDerWaalsContact CE2-CE 3.43Å; Y327-K366 HydrophobicContact CE2-CG 3.75Å; Y327-K366 HydrophobicContact CG-CG 4.5Å; Y327-K366 VanDerWaalsContact CZ-CG 3.5Å
328Q86.6Confident89.5Confident103 Ų10361.3 Ų61.348%0.48134%0.337SS..SBendtrans-137.3141.5174.964.7-170.2-35.300109.3T326T326-Q328 VanDerWaalsContact C-N 3.35Å
329Q90.8Very high89.1Confident104 Ų10463.6 Ų63.649%0.48634%0.344SS..THydrogen-bonded Turntrans-68.5152.9169.1-72.3-179.9-36.400110.1P302 C303 D304 F305P302-Q329 HydrophobicContact CB-CB 4.29Å; C303-Q329 CarbonylContact O-C 3.56Å; C303-Q329 WeakPolarHBondContact O-CA 3.44Å; D304-Q329 PolarHBondContact OD1-NE2 2.86Å; F305-Q329 HydrophobicContact CD2-CG 4.15Å; F305-Q329 HydrophobicContact CE1-CG 4.22Å; F305-Q329 HydrophobicContact CE2-CG 3.75Å; F305-Q329 HydrophobicContact CZ-CG 3.8Å
330G90.8Very high88.7Confident20 Ų2060.5 Ų60.521%0.20633%0.325CS..THydrogen-bonded Turntrans7727.7176.700000114.2G290 C303 N332G290-G330 WeakPolarHBondContact CA-O 3.34Å; G290-G330 VanDerWaalsContact O-CA 3.22Å; G290-G330 WeakPolarHBondContact O-CA 3.12Å; C303-G330 PolarHBondContact O-N 2.85Å; G330-N332 PolarHBondContact O-N 2.87Å
331A93.1Very high88.4Confident0 Ų061.8 Ų61.80%033%0.33CS..  trans-59.9122.9178.500000110.7G290 Y308 M309 T326 M336G290-A331 WeakPolarHBondContact CA-O 3.32Å; Y308-A331 CarbonylContact C-O 3.57Å; Y308-A331 WeakPolarHBondContact CA-O 3.01Å; Y308-A331 WeakPolarHBondContact CB-O 3.42Å; M309-A331 PolarHBondContact N-O 3.06Å; T326-A331 HydrophobicContact CG2-CB 3.35Å; A331-M336 HydrophobicContact CB-CB 4.1Å; A331-M336 HydrophobicContact CB-SD 3.95Å
332N92.5Very high88.3Confident66 Ų6658.4 Ų58.435%0.35331%0.309SS..  trans-101.5-0.4-17262.920.2000114P289 M309 D310 G330 M336P289-N332 HydrophobicContact CB-CB 3.81Å; M309-N332 CarbonylContact O-C 3.51Å; M309-N332 VanDerWaalsContact O-CA 3.26Å; M309-N332 WeakPolarHBondContact O-CA 3.32Å; D310-N332 VanDerWaalsContact CA-O 3.23Å; D310-N332 WeakPolarHBondContact CA-O 3.47Å; G330-N332 PolarHBondContact O-N 2.87Å; N332-M336 PolarHBondContact N-SD 3.31Å; N332-M336 VanDerWaalsContact N-SD 3.36Å; N332-M336 PolarHBondContact OD1-SD 3.09Å; N332-M336 VanDerWaalsContact OD1-SD 3.39Å
333T91.6Very high88.3Confident54 Ų5453.7 Ų53.733%0.33128%0.281SS..SBendtrans-152151.8179.354.10000110.9K335 M336T333-K335 PolarHBondContact O-N 3.15Å; T333-K335 VanDerWaalsContact O-N 3.15Å; T333-M336 WeakPolarHBondContact O-CB 3.09Å; T333-M336 PolarHBondContact O-N 3.39Å; T333-M336 VanDerWaalsContact O-N 3.09Å
334A90.6Very high88.5Confident41 Ų4157.8 Ų57.834%0.33929%0.29SS..G310 helixtrans-60.4-23.117400000113.1Y308 M336 C337Y308-A334 HydrophobicContact CD2-CB 4.37Å; Y308-A334 HydrophobicContact CE1-CB 4.08Å; Y308-A334 HydrophobicContact CE2-CB 3.76Å; A334-M336 PolarHBondContact O-N 3.36Å; A334-C337 VanDerWaalsContact O-CB 3.22Å; A334-C337 WeakPolarHBondContact O-CB 3.22Å; A334-C337 PolarHBondContact O-N 3.5Å
335K89Confident88.3Confident193 Ų19358.1 Ų58.184%0.83930%0.295SS*.G310 helixtrans-67.6-20177.4-68.3-177.7178.6178.70113.2T333T333-K335 PolarHBondContact O-N 3.15Å; T333-K335 VanDerWaalsContact O-N 3.15Å
336M89.3Confident87.9Confident50 Ų5061.4 Ų61.425%0.24632%0.319CS..G310 helixtrans-78.6-8.1173.5-63.9178.3130.100112.5T326 A331 N332 T333 A334 E338T326-M336 HydrophobicContact CG2-CB 4.23Å; T326-M336 WeakPolarHBondContact CG2-O 3.38Å; A331-M336 HydrophobicContact CB-CB 4.1Å; A331-M336 HydrophobicContact CB-SD 3.95Å; N332-M336 PolarHBondContact N-SD 3.31Å; N332-M336 VanDerWaalsContact N-SD 3.36Å; N332-M336 PolarHBondContact OD1-SD 3.09Å; N332-M336 VanDerWaalsContact OD1-SD 3.39Å; T333-M336 WeakPolarHBondContact O-CB 3.09Å; T333-M336 PolarHBondContact O-N 3.39Å; T333-M336 VanDerWaalsContact O-N 3.09Å; A334-M336 PolarHBondContact O-N 3.36Å; M336-E338 PolarHBondContact O-N 3.35Å
337C89.4Confident87.7Confident15 Ų1564.9 Ų64.910%0.10134%0.341CS..  trans-77.4107.7169.7-59.70000108.7C320 A334C320-C337 WeakPolarHBondContact CA-SG 3.14Å; C320-C337 HydrophobicContact CB-CB 3.71Å; C320-C337 WeakPolarHBondContact CB-SG 3.26Å; C320-C337 WeakPolarHBondContact SG-CB 3.49Å; C320-C337 CovalentContact SG-SG 2.05Å; C320-C337 PolarHBondContact SG-SG 3.32Å; A334-C337 VanDerWaalsContact O-CB 3.22Å; A334-C337 WeakPolarHBondContact O-CB 3.22Å; A334-C337 PolarHBondContact O-N 3.5Å
338E87.3Confident87.9Confident85 Ų8565.3 Ų65.340%0.39734%0.344SS..EExtended strand (participates in β ladder)trans-102153.7-179.1-66.4179.7164.700110.1T324 T325 Y327 M336 T340 K366T324-E338 CarbonylContact C-O 3.51Å; T324-E338 WeakPolarHBondContact CA-O 3.44Å; T324-E338 VanDerWaalsContact CB-O 3.32Å; T324-E338 WeakPolarHBondContact CB-O 3.35Å; T325-E338 PolarHBondContact N-O 3.33Å; T325-E338 PolarHBondContact O-N 3.24Å; Y327-E338 HydrophobicContact CD2-CB 4.3Å; Y327-E338 WeakPolarHBondContact CD2-OE2 3.44Å; Y327-E338 HydrophobicContact CE2-CB 3.93Å; M336-E338 PolarHBondContact O-N 3.35Å; E338-T340 PolarHBondContact O-N 2.83Å; E338-K366 IonicContact OE1-NZ 2.75Å; E338-K366 WeakPolarHBondContact OE2-CE 3.38Å; E338-K366 IonicContact OE2-NZ 2.64Å; E338-K366 PolarHBondContact OE2-NZ 2.95Å
339W84.2Confident88.1Confident113 Ų11366.3 Ų66.343%0.42835%0.353SS..EExtended strand (participates in β ladder)trans-60.9135.4178.9-77.588.9000111.9S323 T324 Y327 N341 A345S323-W339 VanDerWaalsContact CB-CZ3 3.48Å; S323-W339 WeakPolarHBondContact O-CA 3.48Å; T324-W339 HydrophobicContact CG2-CD2 4.28Å; T324-W339 HydrophobicContact CG2-CG 4.36Å; Y327-W339 PolarHBondContact OH-O 3.2Å; W339-N341 PolarHBondContact O-N 3.47Å; W339-A345 HydrophobicContact CB-CB 3.61Å; W339-A345 HydrophobicContact CG-CB 3.98Å
340T83.7Confident88.2Confident45 Ų4562.1 Ų62.128%0.27634%0.335SS..SBendtrans-74.2-16.1171.259.50000111.9S323 T325 E338 Q342S323-T340 PolarHBondContact O-N 3.01Å; S323-T340 PolarHBondContact O-OG1 3.19Å; T325-T340 HydrophobicContact CG2-CG2 3.72Å; E338-T340 PolarHBondContact O-N 2.83Å; T340-Q342 PolarHBondContact O-NE2 2.78Å
341N86.4Confident88.4Confident43 Ų4363.3 Ų63.323%0.2333%0.334CS..  trans-103.2100.2175.8-172.5-56.5000111W339 C343 K344 A345 D358W339-N341 PolarHBondContact O-N 3.47Å; N341-C343 VanDerWaalsContact C-N 3.27Å; N341-C343 PolarHBondContact O-N 3.1Å; N341-C343 WeakPolarHBondContact OD1-CB 3.47Å; N341-C343 PolarHBondContact OD1-N 2.96Å; N341-C343 VanDerWaalsContact OD1-N 3.15Å; N341-K344 HydrophobicContact CB-CB 4.23Å; N341-K344 PolarHBondContact O-N 3.46Å; N341-K344 WeakPolarHBondContact OD1-CB 3.41Å; N341-K344 PolarHBondContact OD1-N 3.41Å; N341-A345 VanDerWaalsContact O-CB 3.29Å; N341-A345 WeakPolarHBondContact O-CB 2.88Å; N341-A345 PolarHBondContact O-N 3.38Å; N341-A345 VanDerWaalsContact O-N 3.1Å; N341-D358 WeakPolarHBondContact CA-OD1 3.41Å; N341-D358 WeakPolarHBondContact CB-OD2 3.37Å; N341-D358 PolarHBondContact ND2-OD2 2.87Å
342Q86.9Confident88.4Confident1 Ų172.5 Ų72.51%0.00537%0.369CS..THydrogen-bonded Turntrans-72-25.1-174.6-6390.54800112.6T340 S346 T347 H348 D358 D361 K366 M367 Y368T340-Q342 PolarHBondContact O-NE2 2.78Å; Q342-S346 PolarHBondContact O-N 2.59Å; Q342-S346 VanDerWaalsContact O-N 3.13Å; Q342-T347 WeakPolarHBondContact CB-OG1 3.46Å; Q342-T347 PolarHBondContact O-N 2.75Å; Q342-T347 VanDerWaalsContact O-N 3.13Å; Q342-H348 PolarHBondContact O-CD2 3.15Å; Q342-D358 PolarHBondContact N-OD1 3.32Å; Q342-D361 PolarHBondContact NE2-OD1 3.4Å; Q342-K366 HydrophobicContact CG-CB 4.22Å; Q342-K366 HydrophobicContact CG-CG 4.45Å; Q342-M367 VanDerWaalsContact OE1-C 3.25Å; Q342-M367 PolarHBondContact OE1-O 3.07Å; Q342-Y368 HydrophobicContact CB-CD1 3.96Å; Q342-Y368 HydrophobicContact CB-CG 4.31Å; Q342-Y368 HydrophobicContact CG-CD1 4.12Å
343C87.8Confident88.4Confident31 Ų3170.3 Ų70.321%0.20936%0.357CS..THydrogen-bonded Turntrans-69.6-40.9177-57.20000113N341 C356 I357 D358N341-C343 VanDerWaalsContact C-N 3.27Å; N341-C343 PolarHBondContact O-N 3.1Å; N341-C343 WeakPolarHBondContact OD1-CB 3.47Å; N341-C343 PolarHBondContact OD1-N 2.96Å; N341-C343 VanDerWaalsContact OD1-N 3.15Å; C343-C356 WeakPolarHBondContact CA-SG 3.36Å; C343-C356 HydrophobicContact CB-CB 3.7Å; C343-C356 WeakPolarHBondContact CB-SG 3.2Å; C343-C356 WeakPolarHBondContact SG-CB 3.38Å; C343-C356 CovalentContact SG-SG 2.04Å; C343-C356 PolarHBondContact SG-SG 3.32Å; C343-I357 PolarHBondContact SG-N 3.04Å; C343-I357 VanDerWaalsContact SG-N 3.4Å; C343-D358 PolarHBondContact SG-N 3.14Å
344K86.7Confident88.5Confident157 Ų15768.2 Ų68.268%0.68335%0.346SS*.THydrogen-bonded Turntrans-77.3-31.1177.5-170.7175.8-177.7-179.30111.8N341 S346N341-K344 HydrophobicContact CB-CB 4.23Å; N341-K344 PolarHBondContact O-N 3.46Å; N341-K344 WeakPolarHBondContact OD1-CB 3.41Å; N341-K344 PolarHBondContact OD1-N 3.41Å; K344-S346 VanDerWaalsContact C-N 3.28Å
345A83.9Confident88.6Confident31 Ų3168.5 Ų68.526%0.25635%0.348SS..THydrogen-bonded Turntrans-80.2-7.5177.100000113.7W339 N341 T347W339-A345 HydrophobicContact CB-CB 3.61Å; W339-A345 HydrophobicContact CG-CB 3.98Å; N341-A345 VanDerWaalsContact O-CB 3.29Å; N341-A345 WeakPolarHBondContact O-CB 2.88Å; N341-A345 PolarHBondContact O-N 3.38Å; N341-A345 VanDerWaalsContact O-N 3.1Å; A345-T347 HydrophobicContact CB-CG2 3.93Å; A345-T347 PolarHBondContact O-N 3.44Å; A345-T347 VanDerWaalsContact O-N 3.16Å
346S82.3Confident88.8Confident96 Ų9660.8 Ų60.867%0.67132%0.318SS*.THydrogen-bonded Turntrans53.529.8-174-57.90000113.4Q342 K344 H348Q342-S346 PolarHBondContact O-N 2.59Å; Q342-S346 VanDerWaalsContact O-N 3.13Å; K344-S346 VanDerWaalsContact C-N 3.28Å; S346-H348 VanDerWaalsContact C-N 3.31Å
347T84.6Confident88.8Confident73 Ų7362 Ų6245%0.44833%0.325SS..  trans-95.414.217859.10000112.3Q342 A345Q342-T347 WeakPolarHBondContact CB-OG1 3.46Å; Q342-T347 PolarHBondContact O-N 2.75Å; Q342-T347 VanDerWaalsContact O-N 3.13Å; A345-T347 HydrophobicContact CB-CG2 3.93Å; A345-T347 PolarHBondContact O-N 3.44Å; A345-T347 VanDerWaalsContact O-N 3.16Å
348H88.4Confident88.8Confident51 Ų5164.3 Ų64.324%0.23634%0.336CS..  trans-94.6152.9178.564.876.6000111.2Q342 S346 C350 C356 Y368Q342-H348 PolarHBondContact O-CD2 3.15Å; S346-H348 VanDerWaalsContact C-N 3.31Å; H348-C350 WeakPolarHBondContact ND1-CB 3.09Å; H348-C350 PolarHBondContact ND1-N 3.13Å; H348-C356 PolarHBondContact CD2-SG 3.15Å; H348-C356 VanDerWaalsContact CG-SG 3.58Å; H348-Y368 HydrophobicContact CB-CD2 3.71Å; H348-Y368 HydrophobicContact CB-CE1 4.4Å; H348-Y368 HydrophobicContact CB-CE2 3.53Å; H348-Y368 HydrophobicContact CB-CG 4.23Å
349N91Very high88.7Confident124 Ų12463.3 Ų63.366%0.66333%0.333SS*.  trans-100.617.9177.4-64.1-27.7000113.2Y368 F381N349-Y368 PolarHBondContact N-OH 2.85Å; N349-F381 HydrophobicContact CB-CD1 4.27Å; N349-F381 HydrophobicContact CB-CE1 4.21Å; N349-F381 VanDerWaalsContact O-CD1 3.29Å; N349-F381 WeakPolarHBondContact O-CD1 3.08Å
350C92.6Very high88.6Confident16 Ų1662.8 Ų62.811%0.10835%0.345CS..  trans-54.2144176.5-560000112.2H348 A354 C370H348-C350 WeakPolarHBondContact ND1-CB 3.09Å; H348-C350 PolarHBondContact ND1-N 3.13Å; C350-A354 HydrophobicContact CB-CB 4.26Å; C350-C370 WeakPolarHBondContact CA-SG 3.4Å; C350-C370 HydrophobicContact CB-CB 3.62Å; C350-C370 WeakPolarHBondContact CB-SG 3.27Å; C350-C370 WeakPolarHBondContact SG-CB 3.49Å; C350-C370 CovalentContact SG-SG 2.02Å; C350-C370 PolarHBondContact SG-SG 3.48Å
351H94.5Very high88.5Confident44 Ų4462.9 Ų62.920%0.20434%0.343CS..  trans-57.1149.2173.5-159.2-104.9000110.4L353 A354 G380 F381 C383H351-L353 PolarHBondContact ND1-N 3.16Å; H351-L353 PolarHBondContact O-N 3.13Å; H351-L353 VanDerWaalsContact O-N 3.09Å; H351-A354 HydrophobicContact CB-CB 4.14Å; H351-A354 WeakPolarHBondContact O-CA 3.29Å; H351-A354 WeakPolarHBondContact O-CB 3.49Å; H351-A354 PolarHBondContact O-N 3.34Å; H351-G380 WeakPolarHBondContact CB-O 3.45Å; H351-G380 PolarHBondContact N-O 2.88Å; H351-F381 WeakPolarHBondContact CB-O 3.37Å; H351-F381 PolarHBondContact CD2-O 3.22Å; H351-F381 VanDerWaalsContact CD2-O 3.26Å; H351-C383 HydrophobicContact CB-CB 4.33Å; H351-C383 PolarHBondContact CE1-O 3.43Å
352W92.9Very high88.1Confident194 Ų19466.4 Ų66.474%0.73536%0.358SS*.THydrogen-bonded Turntrans-61-23.6177.971.6-82.5000113.5K373W352-K373 PolarHBondContact O-NZ 3.32Å
353L93.2Very high87.7Confident19 Ų1973 Ų7310%0.09939%0.394CS..THydrogen-bonded Turntrans-90.17.9172.4-63168000114H351 K373 F376 C383H351-L353 PolarHBondContact ND1-N 3.16Å; H351-L353 PolarHBondContact O-N 3.13Å; H351-L353 VanDerWaalsContact O-N 3.09Å; L353-K373 VanDerWaalsContact O-CB 3.27Å; L353-K373 WeakPolarHBondContact O-CB 3.47Å; L353-K373 VanDerWaalsContact O-CG 3.26Å; L353-K373 WeakPolarHBondContact O-CG 3.37Å; L353-K373 PolarHBondContact O-N 3.03Å; L353-F376 HydrophobicContact CB-CD1 4.33Å; L353-F376 HydrophobicContact CB-CD2 4.44Å; L353-F376 HydrophobicContact CB-CG 4.23Å; L353-F376 HydrophobicContact CD1-CD1 3.58Å; L353-F376 HydrophobicContact CD1-CE1 3.49Å; L353-F376 VanDerWaalsContact CD1-CE1 3.49Å; L353-F376 HydrophobicContact CD1-CG 4.3Å; L353-F376 HydrophobicContact CD1-CZ 4.13Å; L353-F376 HydrophobicContact CD2-CD1 4.35Å; L353-F376 HydrophobicContact CD2-CD2 4.34Å; L353-F376 HydrophobicContact CD2-CE1 3.86Å; L353-F376 HydrophobicContact CD2-CE2 3.84Å; L353-F376 HydrophobicContact CD2-CZ 3.58Å; L353-F376 HydrophobicContact CG-CD1 4.3Å; L353-F376 HydrophobicContact CG-CE1 4.18Å; L353-F376 HydrophobicContact CG-CZ 4.37Å; L353-C383 HydrophobicContact CB-CB 3.91Å
354A93.9Very high87.2Confident10 Ų1076.3 Ų76.38%0.08341%0.406CS..EExtended strand (participates in β ladder)trans-107.9155.9173.800000111.6C350 H351 C370 K371 K373 G380C350-A354 HydrophobicContact CB-CB 4.26Å; H351-A354 HydrophobicContact CB-CB 4.14Å; H351-A354 WeakPolarHBondContact O-CA 3.29Å; H351-A354 WeakPolarHBondContact O-CB 3.49Å; H351-A354 PolarHBondContact O-N 3.34Å; A354-C370 HydrophobicContact CB-CB 4.44Å; A354-K371 CarbonylContact C-O 3.44Å; A354-K371 VanDerWaalsContact CA-O 3.3Å; A354-K371 WeakPolarHBondContact CA-O 3.46Å; A354-K371 WeakPolarHBondContact CB-O 3.3Å; A354-K373 WeakPolarHBondContact O-CE 3.35Å; A354-G380 WeakPolarHBondContact CB-O 3.46Å
355A92.6Very high86.9Confident47 Ų4775.8 Ų75.839%0.38840%0.403SS..EExtended strand (participates in β ladder)trans-93.7134.3164.900000108.9K371A355-K371 PolarHBondContact N-O 3.14Å; A355-K371 PolarHBondContact O-N 2.97Å
356C93.3Very high86.9Confident32 Ų3278.5 Ų78.522%0.21641%0.409CS..EExtended strand (participates in β ladder)trans-81.6136.5171.1-177.20000109.6C343 H348C343-C356 WeakPolarHBondContact CA-SG 3.36Å; C343-C356 HydrophobicContact CB-CB 3.7Å; C343-C356 WeakPolarHBondContact CB-SG 3.2Å; C343-C356 WeakPolarHBondContact SG-CB 3.38Å; C343-C356 CovalentContact SG-SG 2.04Å; C343-C356 PolarHBondContact SG-SG 3.32Å; H348-C356 PolarHBondContact CD2-SG 3.15Å; H348-C356 VanDerWaalsContact CG-SG 3.58Å
357I90.3Very high87Confident76 Ų7677 Ų7739%0.3939%0.393SS..EExtended strand (participates in β ladder)trans-120.4119.1175.7-58.3167.5000107C343 L359 Y368 S369 K371C343-I357 PolarHBondContact SG-N 3.04Å; C343-I357 VanDerWaalsContact SG-N 3.4Å; I357-L359 HydrophobicContact CG2-CD2 4.47Å; I357-Y368 WeakPolarHBondContact O-CA 3.35Å; I357-S369 PolarHBondContact N-O 3.33Å; I357-S369 PolarHBondContact O-N 3.35Å; I357-K371 HydrophobicContact CD1-CB 4.04Å
358D87.6Confident87.3Confident62 Ų6276.2 Ų76.233%0.33238%0.382SS..EExtended strand (participates in β ladder)trans-73.6130.1177.8-16249.8000109.6N341 Q342 C343N341-D358 WeakPolarHBondContact CA-OD1 3.41Å; N341-D358 WeakPolarHBondContact CB-OD2 3.37Å; N341-D358 PolarHBondContact ND2-OD2 2.87Å; Q342-D358 PolarHBondContact N-OD1 3.32Å; C343-D358 PolarHBondContact SG-N 3.14Å
359L85.4Confident87.4Confident64 Ų6476.2 Ų76.234%0.33539%0.388SS..  trans-113.8151.8174-60.5174.9000108.6I357 D361 M367I357-L359 HydrophobicContact CG2-CD2 4.47Å; L359-D361 PolarHBondContact O-N 2.94Å; L359-M367 CarbonylContact C-O 3.47Å; L359-M367 HydrophobicContact CB-CB 4.01Å; L359-M367 WeakPolarHBondContact CB-O 3.46Å; L359-M367 PolarHBondContact N-O 2.94Å; L359-M367 VanDerWaalsContact N-O 3.14Å
360P82Confident87.5Confident103 Ų10370.8 Ų70.867%0.66936%0.36SS*.  trans-61.4130.7172.824.8-31.8000109.9E362P360-E362 PolarHBondContact O-N 3.49Å
361D81.4Confident87.6Confident46 Ų4676.9 Ų76.925%0.24638%0.384CS..  trans-62.5123.8175.8-61.8-36.9000110.1Y327 Q342 L359 K365 K366 M367Y327-D361 PolarHBondContact OH-OD2 2.04Å; Q342-D361 PolarHBondContact NE2-OD1 3.4Å; L359-D361 PolarHBondContact O-N 2.94Å; D361-K365 WeakPolarHBondContact CA-O 3.05Å; D361-K365 WeakPolarHBondContact CB-O 3.26Å; D361-K366 WeakPolarHBondContact OD1-CA 3.46Å; D361-M367 PolarHBondContact OD1-N 2.79Å; D361-M367 VanDerWaalsContact OD1-N 3.15Å
362E78.9Confident87.6Confident117 Ų11775.9 Ų75.955%0.54738%0.382SS..BIsolated β-bridgetrans-107.8144.3174.1-64.4-170.7164.800111.4P360 H364 K365 M367P360-E362 PolarHBondContact O-N 3.49Å; E362-H364 PolarHBondContact O-N 2.95Å; E362-H364 VanDerWaalsContact O-N 3.14Å; E362-K365 WeakPolarHBondContact O-CB 3.42Å; E362-K365 PolarHBondContact O-N 2.76Å; E362-M367 HydrophobicContact CB-SD 3.58Å; E362-M367 VanDerWaalsContact CB-SD 3.58Å; E362-M367 HydrophobicContact CG-CE 4.46Å; E362-M367 HydrophobicContact CG-SD 3.81Å
363N79.3Confident87.6Confident140 Ų14071.1 Ų71.175%0.74937%0.366SS*.THydrogen-bonded Turntrans50.837.6177.3-63-41.4000113.8K365N363-K365 VanDerWaalsContact C-N 3.25Å; N363-K365 PolarHBondContact O-N 3.37Å
364H76.9Confident87.4Confident100 Ų10075 Ų7546%0.46339%0.393SS..THydrogen-bonded Turntrans56.537.7-177-48.6-74.4000113F305 Y327 E362F305-H364 WeakPolarHBondContact CB-ND1 3Å; F305-H364 HydrophobicContact CD1-CB 3.82Å; F305-H364 AromaticContact CD1-CG 3.77Å; F305-H364 AromaticContact CD1-ND1 3.94Å; F305-H364 AromaticContact CD2-CD2 3.57Å; F305-H364 AromaticContact CD2-CE1 3.66Å; F305-H364 AromaticContact CD2-CG 3.75Å; F305-H364 AromaticContact CD2-ND1 3.8Å; F305-H364 AromaticContact CD2-NE2 3.53Å; F305-H364 HydrophobicContact CE1-CB 3.89Å; F305-H364 AromaticContact CE2-CD2 3.69Å; F305-H364 HydrophobicContact CG-CB 4.18Å; F305-H364 AromaticContact CG-CD2 3.93Å; F305-H364 AromaticContact CG-CE1 3.7Å; F305-H364 AromaticContact CG-CG 3.59Å; F305-H364 AromaticContact CG-ND1 3.44Å; F305-H364 WeakPolarHBondContact CG-ND1 3.26Å; F305-H364 HydrophobicContact CZ-CB 4.3Å; Y327-H364 WeakPolarHBondContact CD1-O 3.46Å; E362-H364 PolarHBondContact O-N 2.95Å; E362-H364 VanDerWaalsContact O-N 3.14Å
365K80.6Confident87.1Confident146 Ų14674.9 Ų74.964%0.63539%0.392SS*.BIsolated β-bridgetrans-121.7138.8172.5-65.5178.4-177.5176.70110.4D361 E362 N363 M367D361-K365 WeakPolarHBondContact CA-O 3.05Å; D361-K365 WeakPolarHBondContact CB-O 3.26Å; E362-K365 WeakPolarHBondContact O-CB 3.42Å; E362-K365 PolarHBondContact O-N 2.76Å; N363-K365 VanDerWaalsContact C-N 3.25Å; N363-K365 PolarHBondContact O-N 3.37Å; K365-M367 PolarHBondContact O-N 2.02Å
366K83Confident87.1Confident88 Ų8875.3 Ų75.338%0.38339%0.385SS..  trans-59.6124.5172.9-62.9173.4-173.8178.30109.8Y327 E338 Q342 D361Y327-K366 HydrophobicContact CD1-CG 4.3Å; Y327-K366 HydrophobicContact CD2-CG 4.25Å; Y327-K366 HydrophobicContact CE1-CG 3.8Å; Y327-K366 HydrophobicContact CE2-CD 4.24Å; Y327-K366 VanDerWaalsContact CE2-CE 3.43Å; Y327-K366 HydrophobicContact CE2-CG 3.75Å; Y327-K366 HydrophobicContact CG-CG 4.5Å; Y327-K366 VanDerWaalsContact CZ-CG 3.5Å; E338-K366 IonicContact OE1-NZ 2.75Å; E338-K366 WeakPolarHBondContact OE2-CE 3.38Å; E338-K366 IonicContact OE2-NZ 2.64Å; E338-K366 PolarHBondContact OE2-NZ 2.95Å; Q342-K366 HydrophobicContact CG-CB 4.22Å; Q342-K366 HydrophobicContact CG-CG 4.45Å; D361-K366 WeakPolarHBondContact OD1-CA 3.46Å
367M84.9Confident86.9Confident64 Ų6477.6 Ų77.632%0.31540%0.398SS..  trans-125.9121.2177.1-74.3-17964.600111.5Q342 L359 D361 E362 K365Q342-M367 VanDerWaalsContact OE1-C 3.25Å; Q342-M367 PolarHBondContact OE1-O 3.07Å; L359-M367 CarbonylContact C-O 3.47Å; L359-M367 HydrophobicContact CB-CB 4.01Å; L359-M367 WeakPolarHBondContact CB-O 3.46Å; L359-M367 PolarHBondContact N-O 2.94Å; L359-M367 VanDerWaalsContact N-O 3.14Å; D361-M367 PolarHBondContact OD1-N 2.79Å; D361-M367 VanDerWaalsContact OD1-N 3.15Å; E362-M367 HydrophobicContact CB-SD 3.58Å; E362-M367 VanDerWaalsContact CB-SD 3.58Å; E362-M367 HydrophobicContact CG-CE 4.46Å; E362-M367 HydrophobicContact CG-SD 3.81Å; K365-M367 PolarHBondContact O-N 2.02Å
368Y89.9Confident86.9Confident57 Ų5776.8 Ų76.822%0.22441%0.409CS..EExtended strand (participates in β ladder)trans-145.6159.1172.964.6-87.6000110.2Q342 H348 N349 I357 F381Q342-Y368 HydrophobicContact CB-CD1 3.96Å; Q342-Y368 HydrophobicContact CB-CG 4.31Å; Q342-Y368 HydrophobicContact CG-CD1 4.12Å; H348-Y368 HydrophobicContact CB-CD2 3.71Å; H348-Y368 HydrophobicContact CB-CE1 4.4Å; H348-Y368 HydrophobicContact CB-CE2 3.53Å; H348-Y368 HydrophobicContact CB-CG 4.23Å; N349-Y368 PolarHBondContact N-OH 2.85Å; I357-Y368 WeakPolarHBondContact O-CA 3.35Å; Y368-F381 AromaticContact CE2-CE1 3.94Å; Y368-F381 HydrophobicContact CE2-CE1 3.94Å; Y368-F381 HydrophobicContact CE2-CZ 4.04Å
369S90.4Very high87.1Confident51 Ų5178.7 Ų78.736%0.35742%0.419SS..EExtended strand (participates in β ladder)trans-124151.6175.7-171.80000110.8I357I357-S369 PolarHBondContact N-O 3.33Å; I357-S369 PolarHBondContact O-N 3.35Å
370C94.4Very high87.3Confident11 Ų1175.6 Ų75.67%0.07440%0.403CS..EExtended strand (participates in β ladder)trans-120129.5178.6-54.60000109C350 A354 G380 F381C350-C370 WeakPolarHBondContact CA-SG 3.4Å; C350-C370 HydrophobicContact CB-CB 3.62Å; C350-C370 WeakPolarHBondContact CB-SG 3.27Å; C350-C370 WeakPolarHBondContact SG-CB 3.49Å; C350-C370 CovalentContact SG-SG 2.02Å; C350-C370 PolarHBondContact SG-SG 3.48Å; A354-C370 HydrophobicContact CB-CB 4.44Å; C370-G380 WeakPolarHBondContact CB-O 3.05Å; C370-G380 WeakPolarHBondContact O-CA 3.4Å; C370-F381 HydrophobicContact CB-CD2 4.44Å; C370-F381 HydrophobicContact CB-CE2 4.24Å; C370-F381 HydrophobicContact CB-CZ 4.33Å; C370-F381 VanDerWaalsContact SG-CE1 3.5Å; C370-F381 WeakPolarHBondContact SG-CZ 3.46Å
371K94.4Very high87.8Confident143 Ų14374.6 Ų74.662%0.62239%0.388SS*.EExtended strand (participates in β ladder)trans-127.4126.7177.7-172.6175.5-178.4177.70110.3A354 A355 I357 K373A354-K371 CarbonylContact C-O 3.44Å; A354-K371 VanDerWaalsContact CA-O 3.3Å; A354-K371 WeakPolarHBondContact CA-O 3.46Å; A354-K371 WeakPolarHBondContact CB-O 3.3Å; A355-K371 PolarHBondContact N-O 3.14Å; A355-K371 PolarHBondContact O-N 2.97Å; I357-K371 HydrophobicContact CD1-CB 4.04Å; K371-K373 PolarHBondContact O-N 3.14Å
372C93.8Very high88.4Confident23 Ų2378.9 Ų78.916%0.15541%0.406CS..EExtended strand (participates in β ladder)trans-55.7138.9178.9-60.40000111.2F376 C383C372-F376 HydrophobicContact CB-CB 4.11Å; C372-F376 WeakPolarHBondContact CB-O 3.29Å; C372-C383 WeakPolarHBondContact CA-SG 3.04Å; C372-C383 HydrophobicContact CB-CB 3.92Å; C372-C383 WeakPolarHBondContact CB-SG 3.43Å; C372-C383 WeakPolarHBondContact SG-CB 3.37Å; C372-C383 CovalentContact SG-SG 2.04Å; C372-C383 PolarHBondContact SG-SG 2.97Å
373K92.6Very high89.2Confident94 Ų9473.6 Ų73.641%0.40938%0.382SS..PPolyproline II helixtrans-62.5156.5175.8-70.3169.9-177.3164.80109.8W352 L353 A354 K371 G375 F376W352-K373 PolarHBondContact O-NZ 3.32Å; L353-K373 VanDerWaalsContact O-CB 3.27Å; L353-K373 WeakPolarHBondContact O-CB 3.47Å; L353-K373 VanDerWaalsContact O-CG 3.26Å; L353-K373 WeakPolarHBondContact O-CG 3.37Å; L353-K373 PolarHBondContact O-N 3.03Å; A354-K373 WeakPolarHBondContact O-CE 3.35Å; K371-K373 PolarHBondContact O-N 3.14Å; K373-G375 PolarHBondContact O-N 3.14Å; K373-F376 HydrophobicContact CB-CD2 4.28Å; K373-F376 PolarHBondContact O-N 3.46Å; K373-F376 VanDerWaalsContact O-N 3.14Å
374P90.6Very high89.8Confident101 Ų10170.7 Ų70.766%0.65637%0.369SS*.THydrogen-bonded Turntrans-50.6131.4177.3-27.735.5000112.5
375G87.4Confident90.4Very high7 Ų768.7 Ų68.77%0.07236%0.362CS..THydrogen-bonded Turntrans89.65.4-178.500000115.3K373 A386 K399 G403K373-G375 PolarHBondContact O-N 3.14Å; G375-A386 WeakPolarHBondContact O-CB 3.47Å; G375-A386 PolarHBondContact O-N 3.26Å; G375-A386 VanDerWaalsContact O-N 3.11Å; G375-K399 WeakPolarHBondContact O-CE 3.33Å; G375-K399 PolarHBondContact O-NZ 2.82Å; G375-G403 WeakPolarHBondContact CA-O 3.35Å; G375-G403 VanDerWaalsContact N-CA 3.32Å; G375-G403 PolarHBondContact N-O 3.45Å
376F91.3Very high90.8Very high56 Ų5662.1 Ų62.125%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-127.1148.2173.7-60.6-84.4000110.6L353 C372 K373 C383 V384 D385L353-F376 HydrophobicContact CB-CD1 4.33Å; L353-F376 HydrophobicContact CB-CD2 4.44Å; L353-F376 HydrophobicContact CB-CG 4.23Å; L353-F376 HydrophobicContact CD1-CD1 3.58Å; L353-F376 HydrophobicContact CD1-CE1 3.49Å; L353-F376 VanDerWaalsContact CD1-CE1 3.49Å; L353-F376 HydrophobicContact CD1-CG 4.3Å; L353-F376 HydrophobicContact CD1-CZ 4.13Å; L353-F376 HydrophobicContact CD2-CD1 4.35Å; L353-F376 HydrophobicContact CD2-CD2 4.34Å; L353-F376 HydrophobicContact CD2-CE1 3.86Å; L353-F376 HydrophobicContact CD2-CE2 3.84Å; L353-F376 HydrophobicContact CD2-CZ 3.58Å; L353-F376 HydrophobicContact CG-CD1 4.3Å; L353-F376 HydrophobicContact CG-CE1 4.18Å; L353-F376 HydrophobicContact CG-CZ 4.37Å; C372-F376 HydrophobicContact CB-CB 4.11Å; C372-F376 WeakPolarHBondContact CB-O 3.29Å; K373-F376 HydrophobicContact CB-CD2 4.28Å; K373-F376 PolarHBondContact O-N 3.46Å; K373-F376 VanDerWaalsContact O-N 3.14Å; F376-C383 HydrophobicContact CB-CB 4.23Å; F376-V384 VanDerWaalsContact CA-O 3.3Å; F376-V384 WeakPolarHBondContact CA-O 3.08Å; F376-V384 WeakPolarHBondContact CB-O 3.44Å; F376-V384 WeakPolarHBondContact CD1-O 3.42Å; F376-D385 HydrophobicContact CD1-CB 4.5Å; F376-D385 HydrophobicContact CE1-CB 4.39Å
377V89.4Confident91Very high81 Ų8159.2 Ų59.249%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-126.6151.4179.9-64.60000111C383 V384 A386V377-C383 WeakPolarHBondContact O-CA 3.49Å; V377-V384 HydrophobicContact CG2-CG2 4.11Å; V377-V384 PolarHBondContact N-O 2.81Å; V377-V384 PolarHBondContact O-N 2.91Å; V377-A386 HydrophobicContact CG1-CB 3.85Å; V377-A386 HydrophobicContact CG2-CB 4.42Å
378G90.4Very high91.1Very high59 Ų5963 Ų6361%0.60834%0.342SS*.EExtended strand (participates in β ladder)trans147.4-163.5-178.900000112.5H382G378-H382 WeakPolarHBondContact CA-O 3.33Å
379N91.7Very high90.6Very high101 Ų10162.9 Ų62.954%0.5436%0.358SS..SBendtrans-94.68.9-176.969.5-0.7000113.6F381 H382N379-F381 PolarHBondContact O-N 3.09Å; N379-F381 PolarHBondContact OD1-N 3.33Å; N379-H382 PolarHBondContact N-O 2.04Å; N379-H382 PolarHBondContact OD1-N 3Å; N379-H382 PolarHBondContact OD1-O 3.23Å
380G91.1Very high90.5Very high0 Ų063 Ų630%035%0.352CS..SBendtrans82.8-24.4-176.700000115.1H351 A354 C370H351-G380 WeakPolarHBondContact CB-O 3.45Å; H351-G380 PolarHBondContact N-O 2.88Å; A354-G380 WeakPolarHBondContact CB-O 3.46Å; C370-G380 WeakPolarHBondContact CB-O 3.05Å; C370-G380 WeakPolarHBondContact O-CA 3.4Å
381F92.3Very high90.2Very high81 Ų8163.5 Ų63.536%0.35536%0.356SS..SBendtrans-91.8-25.7171.1-64.8-86.1000112.1N349 H351 Y368 C370 N379N349-F381 HydrophobicContact CB-CD1 4.27Å; N349-F381 HydrophobicContact CB-CE1 4.21Å; N349-F381 VanDerWaalsContact O-CD1 3.29Å; N349-F381 WeakPolarHBondContact O-CD1 3.08Å; H351-F381 WeakPolarHBondContact CB-O 3.37Å; H351-F381 PolarHBondContact CD2-O 3.22Å; H351-F381 VanDerWaalsContact CD2-O 3.26Å; Y368-F381 AromaticContact CE2-CE1 3.94Å; Y368-F381 HydrophobicContact CE2-CE1 3.94Å; Y368-F381 HydrophobicContact CE2-CZ 4.04Å; C370-F381 HydrophobicContact CB-CD2 4.44Å; C370-F381 HydrophobicContact CB-CE2 4.24Å; C370-F381 HydrophobicContact CB-CZ 4.33Å; C370-F381 VanDerWaalsContact SG-CE1 3.5Å; C370-F381 WeakPolarHBondContact SG-CZ 3.46Å; N379-F381 PolarHBondContact O-N 3.09Å; N379-F381 PolarHBondContact OD1-N 3.33Å
382H94.2Very high89.9Confident137 Ų13760.2 Ų60.263%0.63435%0.345SS*.SBendtrans-130118.7167.4-63.5-75.6000107.8G378 N379G378-H382 WeakPolarHBondContact CA-O 3.33Å; N379-H382 PolarHBondContact N-O 2.04Å; N379-H382 PolarHBondContact OD1-N 3Å; N379-H382 PolarHBondContact OD1-O 3.23Å
383C93.9Very high89.6Confident5 Ų563 Ų633%0.03436%0.358CS..EExtended strand (participates in β ladder)trans-126.7122.9177.3-62.80000108.4H351 L353 C372 F376 V377H351-C383 HydrophobicContact CB-CB 4.33Å; H351-C383 PolarHBondContact CE1-O 3.43Å; L353-C383 HydrophobicContact CB-CB 3.91Å; C372-C383 WeakPolarHBondContact CA-SG 3.04Å; C372-C383 HydrophobicContact CB-CB 3.92Å; C372-C383 WeakPolarHBondContact CB-SG 3.43Å; C372-C383 WeakPolarHBondContact SG-CB 3.37Å; C372-C383 CovalentContact SG-SG 2.04Å; C372-C383 PolarHBondContact SG-SG 2.97Å; F376-C383 HydrophobicContact CB-CB 4.23Å; V377-C383 WeakPolarHBondContact O-CA 3.49Å
384V92.1Very high89.1Confident80 Ų8061.9 Ų61.949%0.48537%0.373SS..EExtended strand (participates in β ladder)trans-107.9161.1175.7-63.80000109.8F376 V377 A386F376-V384 VanDerWaalsContact CA-O 3.3Å; F376-V384 WeakPolarHBondContact CA-O 3.08Å; F376-V384 WeakPolarHBondContact CB-O 3.44Å; F376-V384 WeakPolarHBondContact CD1-O 3.42Å; V377-V384 HydrophobicContact CG2-CG2 4.11Å; V377-V384 PolarHBondContact N-O 2.81Å; V377-V384 PolarHBondContact O-N 2.91Å; V384-A386 PolarHBondContact O-N 2.99Å
385D90.3Very high89Confident57 Ų5757.7 Ų57.731%0.30535%0.349SS..EExtended strand (participates in β ladder)trans-59.7126.5177.6-167.4-60.4000109.7F376 C387 E388 K399F376-D385 HydrophobicContact CD1-CB 4.5Å; F376-D385 HydrophobicContact CE1-CB 4.39Å; D385-C387 PolarHBondContact O-N 2.84Å; D385-C387 VanDerWaalsContact O-N 3.07Å; D385-C387 VanDerWaalsContact OD1-CB 3.26Å; D385-C387 WeakPolarHBondContact OD1-CB 3.49Å; D385-C387 PolarHBondContact OD1-N 3.28Å; D385-E388 HydrophobicContact CB-CB 4.17Å; D385-E388 WeakPolarHBondContact O-CB 3.19Å; D385-E388 PolarHBondContact O-N 2.79Å; D385-K399 WeakPolarHBondContact OD1-CE 3.44Å; D385-K399 IonicContact OD1-NZ 3.77Å; D385-K399 PolarHBondContact OD1-NZ 3.07Å; D385-K399 IonicContact OD2-NZ 3.69Å; D385-K399 PolarHBondContact OD2-NZ 3.01Å
386A88.7Confident89.1Confident8 Ų861 Ų617%0.06637%0.371CS..THydrogen-bonded Turntrans-63.3-17-177.500000113.6G375 V377 V384 F390 T405G375-A386 WeakPolarHBondContact O-CB 3.47Å; G375-A386 PolarHBondContact O-N 3.26Å; G375-A386 VanDerWaalsContact O-N 3.11Å; V377-A386 HydrophobicContact CG1-CB 3.85Å; V377-A386 HydrophobicContact CG2-CB 4.42Å; V384-A386 PolarHBondContact O-N 2.99Å; A386-F390 VanDerWaalsContact O-CB 3.23Å; A386-F390 WeakPolarHBondContact O-CB 3.46Å; A386-T405 HydrophobicContact CB-CG2 3.45Å; A386-T405 VanDerWaalsContact CB-CG2 3.45Å
387C86.9Confident88.9Confident27 Ų2760 Ų6018%0.18237%0.371CS..THydrogen-bonded Turntrans-87.7-17.7175.5-78.60000113.9D385 G389 F390 C397 K399D385-C387 PolarHBondContact O-N 2.84Å; D385-C387 VanDerWaalsContact O-N 3.07Å; D385-C387 VanDerWaalsContact OD1-CB 3.26Å; D385-C387 WeakPolarHBondContact OD1-CB 3.49Å; D385-C387 PolarHBondContact OD1-N 3.28Å; C387-G389 PolarHBondContact O-N 3.11Å; C387-F390 PolarHBondContact O-N 3.2Å; C387-C397 WeakPolarHBondContact CA-SG 3.23Å; C387-C397 HydrophobicContact CB-CB 3.39Å; C387-C397 WeakPolarHBondContact CB-SG 3.36Å; C387-C397 WeakPolarHBondContact SG-CB 3.3Å; C387-C397 CovalentContact SG-SG 2.03Å; C387-C397 PolarHBondContact SG-SG 2.88Å; C387-K399 VanDerWaalsContact SG-CE 3.59Å
388E86.6Confident88.9Confident143 Ų14360.4 Ų60.467%0.66837%0.369SS*.THydrogen-bonded Turntrans-66114.9-179-168.9173.6-179.600110.1D385 F390D385-E388 HydrophobicContact CB-CB 4.17Å; D385-E388 WeakPolarHBondContact O-CB 3.19Å; D385-E388 PolarHBondContact O-N 2.79Å; E388-F390 PolarHBondContact O-N 2.64Å; E388-F390 VanDerWaalsContact O-N 3.13Å
389G80.8Confident88.6Confident55 Ų5561.4 Ų61.457%0.56736%0.357SS*.THydrogen-bonded Turntrans66.97.8-176.600000115.3C387 R417C387-G389 PolarHBondContact O-N 3.11Å; G389-R417 PolarHBondContact O-NH2 3.37Å
390F87.2Confident88.1Confident53 Ų5359.5 Ų59.523%0.23235%0.349CS..THydrogen-bonded Turntrans-77.6-49.4-179-176.4-106.8000112.2A386 C387 E388 T405 C407 R417A386-F390 VanDerWaalsContact O-CB 3.23Å; A386-F390 WeakPolarHBondContact O-CB 3.46Å; C387-F390 PolarHBondContact O-N 3.2Å; E388-F390 PolarHBondContact O-N 2.64Å; E388-F390 VanDerWaalsContact O-N 3.13Å; F390-T405 WeakPolarHBondContact CE1-OG1 3Å; F390-T405 WeakPolarHBondContact CZ-OG1 3.26Å; F390-C407 WeakPolarHBondContact CD1-SG 3.03Å; F390-C407 VanDerWaalsContact CE1-SG 3.58Å; F390-R417 HydrophobicContact CD2-CG 4.35Å; F390-R417 HydrophobicContact CE1-CG 4.26Å; F390-R417 HydrophobicContact CE2-CG 3.9Å; F390-R417 HydrophobicContact CZ-CG 3.85Å; F390-R417 WeakPolarHBondContact O-CB 3.33Å; F390-R417 PolarHBondContact O-NE 3.49Å; F390-R417 PolarHBondContact O-NH2 2.89Å
391C88.9Confident87.3Confident22 Ų2264 Ų6415%0.14940%0.395CS..SBendtrans-87.2131.8176.5-54.30000110.8G395 C397 C407C391-G395 VanDerWaalsContact CB-O 3.26Å; C391-G395 WeakPolarHBondContact CB-O 3.39Å; C391-C397 VanDerWaalsContact SG-CA 3.52Å; C391-C397 WeakPolarHBondContact SG-CB 3.43Å; C391-C407 WeakPolarHBondContact CA-SG 2.98Å; C391-C407 HydrophobicContact CB-CB 3.86Å; C391-C407 WeakPolarHBondContact CB-SG 3.17Å; C391-C407 WeakPolarHBondContact SG-CA 3.35Å; C391-C407 WeakPolarHBondContact SG-CB 2.98Å; C391-C407 CovalentContact SG-SG 2.03Å; C391-C407 PolarHBondContact SG-SG 2.85Å
392L88.6Confident86.7Confident74 Ų7470.3 Ų70.339%0.38742%0.417SS..  trans-100.3168.5-179.6-56.5179.4000110.7G394 G395 R417 C418 Q419L392-G394 VanDerWaalsContact C-N 3.3Å; L392-G394 PolarHBondContact O-N 2.75Å; L392-G395 PolarHBondContact O-N 2.03Å; L392-R417 WeakPolarHBondContact CB-O 3.47Å; L392-R417 PolarHBondContact N-O 3.1Å; L392-C418 WeakPolarHBondContact O-CB 3.46Å; L392-Q419 HydrophobicContact CD1-CB 4.04Å
393N87.4Confident86Confident82 Ų8264.6 Ų64.644%0.43940%0.395SS..THydrogen-bonded Turntrans5440.2172.6-57.1-41000114.5G395 F413 C418N393-G395 VanDerWaalsContact C-N 3.28Å; N393-G395 PolarHBondContact O-N 2.8Å; N393-F413 HydrophobicContact CB-CD1 3.64Å; N393-F413 HydrophobicContact CB-CD2 4.05Å; N393-F413 HydrophobicContact CB-CE1 3.6Å; N393-F413 HydrophobicContact CB-CE2 4.02Å; N393-F413 HydrophobicContact CB-CG 3.86Å; N393-F413 HydrophobicContact CB-CZ 3.8Å; N393-F413 VanDerWaalsContact CG-CE1 3.46Å; N393-F413 WeakPolarHBondContact ND2-CD1 3.48Å; N393-F413 WeakPolarHBondContact ND2-CE1 3.43Å; N393-C418 PolarHBondContact ND2-O 3.17Å
394G82Confident85.5Confident70 Ų7070.4 Ų70.472%0.72242%0.422SS*.THydrogen-bonded Turntrans73.713.4179.100000115L392L392-G394 VanDerWaalsContact C-N 3.3Å; L392-G394 PolarHBondContact O-N 2.75Å
395G87.3Confident85.3Confident14 Ų1468.7 Ų68.714%0.14441%0.411CS..PPolyproline II helixtrans-64.5138.2174.900000112.9C391 L392 N393 L408C391-G395 VanDerWaalsContact CB-O 3.26Å; C391-G395 WeakPolarHBondContact CB-O 3.39Å; L392-G395 PolarHBondContact O-N 2.03Å; N393-G395 VanDerWaalsContact C-N 3.28Å; N393-G395 PolarHBondContact O-N 2.8Å; G395-L408 CarbonylContact C-O 3.5Å; G395-L408 VanDerWaalsContact CA-O 3.24Å; G395-L408 WeakPolarHBondContact CA-O 2.97Å
396S89.3Confident85.2Confident77 Ų7772.4 Ų72.454%0.53843%0.425SS..EExtended strand (participates in β ladder)trans-83.6126.9176-67.20000110.8L408S396-L408 PolarHBondContact N-O 3.19Å; S396-L408 PolarHBondContact O-N 2.74Å
397C88.9Confident85.2Confident35 Ų3572.7 Ų72.724%0.23643%0.426CS..EExtended strand (participates in β ladder)trans-89.3132.6178.8-170.30000112.1C387 C391C387-C397 WeakPolarHBondContact CA-SG 3.23Å; C387-C397 HydrophobicContact CB-CB 3.39Å; C387-C397 WeakPolarHBondContact CB-SG 3.36Å; C387-C397 WeakPolarHBondContact SG-CB 3.3Å; C387-C397 CovalentContact SG-SG 2.03Å; C387-C397 PolarHBondContact SG-SG 2.88Å; C391-C397 VanDerWaalsContact SG-CA 3.52Å; C391-C397 WeakPolarHBondContact SG-CB 3.43Å
398L87.8Confident85.3Confident89 Ų8975.7 Ų75.747%0.46644%0.44SS..EExtended strand (participates in β ladder)trans-116.7144.4173.2-62.4-178.8000110.3T405 K406 L408L398-T405 WeakPolarHBondContact O-CA 3.04Å; L398-K406 PolarHBondContact N-O 3.25Å; L398-K406 PolarHBondContact O-N 2.83Å; L398-L408 HydrophobicContact CD1-CD1 3.49Å; L398-L408 VanDerWaalsContact CD1-CD1 3.49Å; L398-L408 HydrophobicContact CD1-CD2 4.33Å; L398-L408 HydrophobicContact CD1-CG 3.76Å; L398-L408 HydrophobicContact CG-CD1 4.12Å; L398-L408 HydrophobicContact CG-CG 4.25Å
399K85.9Confident85.4Confident79 Ų7971.1 Ų71.134%0.34342%0.423SS..EExtended strand (participates in β ladder)trans-111.3133172.7-60.3-177.1-173.1-177.20109.8G375 D385 C387 E404 T405G375-K399 WeakPolarHBondContact O-CE 3.33Å; G375-K399 PolarHBondContact O-NZ 2.82Å; D385-K399 WeakPolarHBondContact OD1-CE 3.44Å; D385-K399 IonicContact OD1-NZ 3.77Å; D385-K399 PolarHBondContact OD1-NZ 3.07Å; D385-K399 IonicContact OD2-NZ 3.69Å; D385-K399 PolarHBondContact OD2-NZ 3.01Å; C387-K399 VanDerWaalsContact SG-CE 3.59Å; K399-E404 WeakPolarHBondContact CA-O 3.47Å; K399-T405 HydrophobicContact CG-CG2 4.39Å
400T80.9Confident85.7Confident62 Ų6270.6 Ų70.638%0.3841%0.414SS..  trans-75.8164.7171.570.20000110.6R402 G403 E404T400-R402 PolarHBondContact O-N 3.03Å; T400-R402 PolarHBondContact OG1-N 3.15Å; T400-G403 PolarHBondContact O-N 2.03Å; T400-E404 HydrophobicContact CG2-CB 4.26Å; T400-E404 PolarHBondContact N-O 2.82Å; T400-E404 WeakPolarHBondContact OG1-CB 2.94Å; T400-E404 PolarHBondContact OG1-N 3.17Å; T400-E404 VanDerWaalsContact OG1-N 3.14Å
401G73.7Confident85.6Confident94 Ų9474.1 Ų74.197%0.96944%0.444SS*.THydrogen-bonded Turntrans-60.3-14.2175.200000114.7
402R79.5Confident85.4Confident214 Ų21474.7 Ų74.781%0.80846%0.455SS*.THydrogen-bonded Turntrans-97.33.3172.9-64.8-176.2-177.7173.40.2113.4T400T400-R402 PolarHBondContact O-N 3.03Å; T400-R402 PolarHBondContact OG1-N 3.15Å
403G78.4Confident85.4Confident17 Ų1774 Ų7418%0.17545%0.449CS..  trans82.512177.900000115.2G375 T400G375-G403 WeakPolarHBondContact CA-O 3.35Å; G375-G403 VanDerWaalsContact N-CA 3.32Å; G375-G403 PolarHBondContact N-O 3.45Å; T400-G403 PolarHBondContact O-N 2.03Å
404E84.6Confident85.2Confident127 Ų12771.6 Ų71.659%0.59344%0.44SS*.  trans-77.7137.2174.5-59.3171.8166.700109.8K399 T400K399-E404 WeakPolarHBondContact CA-O 3.47Å; T400-E404 HydrophobicContact CG2-CB 4.26Å; T400-E404 PolarHBondContact N-O 2.82Å; T400-E404 WeakPolarHBondContact OG1-CB 2.94Å; T400-E404 PolarHBondContact OG1-N 3.17Å; T400-E404 VanDerWaalsContact OG1-N 3.14Å
405T87.1Confident85.4Confident43 Ų4370.4 Ų70.426%0.26443%0.428SS..EExtended strand (participates in β ladder)trans-93.4137.9-178.750.20000111.8A386 F390 L398 K399A386-T405 HydrophobicContact CB-CG2 3.45Å; A386-T405 VanDerWaalsContact CB-CG2 3.45Å; F390-T405 WeakPolarHBondContact CE1-OG1 3Å; F390-T405 WeakPolarHBondContact CZ-OG1 3.26Å; L398-T405 WeakPolarHBondContact O-CA 3.04Å; K399-T405 HydrophobicContact CG-CG2 4.39Å
406K87.9Confident85.3Confident136 Ų13678.7 Ų78.759%0.59146%0.46SS*.EExtended strand (participates in β ladder)trans-135.9133.8174.9-172.5176.5-179.7-178.40109.7L398L398-K406 PolarHBondContact N-O 3.25Å; L398-K406 PolarHBondContact O-N 2.83Å
407C89.3Confident85.3Confident13 Ų1379.8 Ų79.89%0.08845%0.452CS..EExtended strand (participates in β ladder)trans-93.8136.4175.1-62.50000111.3F390 C391 C418F390-C407 WeakPolarHBondContact CD1-SG 3.03Å; F390-C407 VanDerWaalsContact CE1-SG 3.58Å; C391-C407 WeakPolarHBondContact CA-SG 2.98Å; C391-C407 HydrophobicContact CB-CB 3.86Å; C391-C407 WeakPolarHBondContact CB-SG 3.17Å; C391-C407 WeakPolarHBondContact SG-CA 3.35Å; C391-C407 WeakPolarHBondContact SG-CB 2.98Å; C391-C407 CovalentContact SG-SG 2.03Å; C391-C407 PolarHBondContact SG-SG 2.85Å; C407-C418 VanDerWaalsContact CB-SG 3.56Å
408L89.4Confident85.3Confident91 Ų9178.1 Ų78.148%0.47644%0.441SS..EExtended strand (participates in β ladder)trans-99.2112.8162.1-63.8-177.5000107.9G395 S396 L398G395-L408 CarbonylContact C-O 3.5Å; G395-L408 VanDerWaalsContact CA-O 3.24Å; G395-L408 WeakPolarHBondContact CA-O 2.97Å; S396-L408 PolarHBondContact N-O 3.19Å; S396-L408 PolarHBondContact O-N 2.74Å; L398-L408 HydrophobicContact CD1-CD1 3.49Å; L398-L408 VanDerWaalsContact CD1-CD1 3.49Å; L398-L408 HydrophobicContact CD1-CD2 4.33Å; L398-L408 HydrophobicContact CD1-CG 3.76Å; L398-L408 HydrophobicContact CG-CD1 4.12Å; L398-L408 HydrophobicContact CG-CG 4.25Å
409C88.8Confident85.4Confident46 Ų4678.4 Ų78.431%0.31144%0.44SS..PPolyproline II helixtrans-79.4143.6-175.4-53.40000111.8F413 C418C409-F413 HydrophobicContact CB-CB 4.28Å; C409-F413 WeakPolarHBondContact CB-O 3.04Å; C409-C418 WeakPolarHBondContact CA-SG 3.47Å; C409-C418 HydrophobicContact CB-CB 3.67Å; C409-C418 WeakPolarHBondContact CB-SG 3.4Å; C409-C418 PolarHBondContact N-SG 2.84Å; C409-C418 WeakPolarHBondContact SG-CA 3.49Å; C409-C418 WeakPolarHBondContact SG-CB 3.24Å; C409-C418 CovalentContact SG-SG 2.03Å; C409-C418 PolarHBondContact SG-SG 3.22Å
410A85.8Confident85.3Confident45 Ų4576.8 Ų76.837%0.37244%0.441SS..PPolyproline II helixtrans-68.5158.7168.800000110.2G412 F413A410-G412 PolarHBondContact O-N 3.13Å; A410-F413 PolarHBondContact O-N 2.03Å; A410-F413 VanDerWaalsContact O-N 3.17Å
411S86.9Confident85.4Confident126 Ų12679.1 Ų79.188%0.88146%0.455SS*.THydrogen-bonded Turntrans-53.4129.1-176.8-540000112.2
412G84.5Confident85.2Confident35 Ų3584.1 Ų84.136%0.36145%0.454SS..THydrogen-bonded Turntrans88.88-178.800000115.2A410 T421 E422A410-G412 PolarHBondContact O-N 3.13Å; G412-T421 CarbonylContact O-C 3.6Å; G412-T421 WeakPolarHBondContact O-CA 3.38Å; G412-E422 PolarHBondContact O-N 2.87Å
413F87.9Confident85.5Confident60 Ų6077.7 Ų77.726%0.26344%0.436SS..EExtended strand (participates in β ladder)trans-127.5141.1174-63.3-85.1000111.8N393 C409 A410 C418 A420 T421N393-F413 HydrophobicContact CB-CD1 3.64Å; N393-F413 HydrophobicContact CB-CD2 4.05Å; N393-F413 HydrophobicContact CB-CE1 3.6Å; N393-F413 HydrophobicContact CB-CE2 4.02Å; N393-F413 HydrophobicContact CB-CG 3.86Å; N393-F413 HydrophobicContact CB-CZ 3.8Å; N393-F413 VanDerWaalsContact CG-CE1 3.46Å; N393-F413 WeakPolarHBondContact ND2-CD1 3.48Å; N393-F413 WeakPolarHBondContact ND2-CE1 3.43Å; C409-F413 HydrophobicContact CB-CB 4.28Å; C409-F413 WeakPolarHBondContact CB-O 3.04Å; A410-F413 PolarHBondContact O-N 2.03Å; A410-F413 VanDerWaalsContact O-N 3.17Å; F413-C418 HydrophobicContact CB-CB 4.39Å; F413-A420 CarbonylContact C-O 3.45Å; F413-A420 WeakPolarHBondContact CA-O 3.2Å; F413-T421 HydrophobicContact CD1-CG2 3.88Å; F413-T421 HydrophobicContact CE1-CG2 3.57Å; F413-T421 HydrophobicContact CZ-CG2 4.43Å
414A84.3Confident85.9Confident31 Ų3180.8 Ų80.826%0.25645%0.45SS..EExtended strand (participates in β ladder)trans-134.7166.5-176.600000113.7Q419 A420 E422A414-Q419 PolarHBondContact O-N 3.49Å; A414-Q419 PolarHBondContact O-NE2 3.34Å; A414-Q419 VanDerWaalsContact O-NE2 3.1Å; A414-A420 PolarHBondContact N-O 2.77Å; A414-A420 WeakPolarHBondContact O-CB 3.26Å; A414-A420 PolarHBondContact O-N 2.85Å; A414-A420 VanDerWaalsContact O-N 3.1Å; A414-E422 HydrophobicContact CB-CB 4.39Å; A414-E422 HydrophobicContact CB-CG 4.26Å
415G85.9Confident85.9Confident45 Ų4578.3 Ų78.346%0.46444%0.442SS..SBendtrans92.5176.5175.600000115.3R417 C418 Q419G415-R417 VanDerWaalsContact C-N 3.31Å; G415-R417 PolarHBondContact O-N 3.37Å; G415-R417 VanDerWaalsContact O-N 3.15Å; G415-C418 PolarHBondContact O-N 3.1Å; G415-Q419 VanDerWaalsContact CA-NE2 3.35Å
416K84.9Confident85.9Confident188 Ų18880.4 Ų80.482%0.81745%0.452SS*.THydrogen-bonded Turntrans-59-33.5-163.8-69.8-174.2177.9-179.40115.3
417R89.4Confident85.8Confident99 Ų9976.9 Ų76.937%0.37444%0.443SS..THydrogen-bonded Turntrans-115.715.6176-61.6179.566.8-174.5-3113.1G389 F390 L392 G415 Q419G389-R417 PolarHBondContact O-NH2 3.37Å; F390-R417 HydrophobicContact CD2-CG 4.35Å; F390-R417 HydrophobicContact CE1-CG 4.26Å; F390-R417 HydrophobicContact CE2-CG 3.9Å; F390-R417 HydrophobicContact CZ-CG 3.85Å; F390-R417 WeakPolarHBondContact O-CB 3.33Å; F390-R417 PolarHBondContact O-NE 3.49Å; F390-R417 PolarHBondContact O-NH2 2.89Å; L392-R417 WeakPolarHBondContact CB-O 3.47Å; L392-R417 PolarHBondContact N-O 3.1Å; G415-R417 VanDerWaalsContact C-N 3.31Å; G415-R417 PolarHBondContact O-N 3.37Å; G415-R417 VanDerWaalsContact O-N 3.15Å; R417-Q419 PolarHBondContact O-N 3.05Å
418C88.4Confident85.5Confident0 Ų081.1 Ų81.10%047%0.467CS..SBendtrans59.732.7-173.7-47.30000113.8L392 N393 C407 C409 F413 G415L392-C418 WeakPolarHBondContact O-CB 3.46Å; N393-C418 PolarHBondContact ND2-O 3.17Å; C407-C418 VanDerWaalsContact CB-SG 3.56Å; C409-C418 WeakPolarHBondContact CA-SG 3.47Å; C409-C418 HydrophobicContact CB-CB 3.67Å; C409-C418 WeakPolarHBondContact CB-SG 3.4Å; C409-C418 PolarHBondContact N-SG 2.84Å; C409-C418 WeakPolarHBondContact SG-CA 3.49Å; C409-C418 WeakPolarHBondContact SG-CB 3.24Å; C409-C418 CovalentContact SG-SG 2.03Å; C409-C418 PolarHBondContact SG-SG 3.22Å; F413-C418 HydrophobicContact CB-CB 4.39Å; G415-C418 PolarHBondContact O-N 3.1Å
419Q88.7Confident85.2Confident95 Ų9580.4 Ų80.444%0.44447%0.466SS..  trans-85.9-15.2-174.371.6-71.1-79.800114.1L392 A414 G415 R417L392-Q419 HydrophobicContact CD1-CB 4.04Å; A414-Q419 PolarHBondContact O-N 3.49Å; A414-Q419 PolarHBondContact O-NE2 3.34Å; A414-Q419 VanDerWaalsContact O-NE2 3.1Å; G415-Q419 VanDerWaalsContact CA-NE2 3.35Å; R417-Q419 PolarHBondContact O-N 3.05Å
420A85.4Confident85Confident45 Ų4583.1 Ų83.137%0.37248%0.478SS..EExtended strand (participates in β ladder)trans-102.7144.5178.300000109.4F413 A414F413-A420 CarbonylContact C-O 3.45Å; F413-A420 WeakPolarHBondContact CA-O 3.2Å; A414-A420 PolarHBondContact N-O 2.77Å; A414-A420 WeakPolarHBondContact O-CB 3.26Å; A414-A420 PolarHBondContact O-N 2.85Å; A414-A420 VanDerWaalsContact O-N 3.1Å
421T82.3Confident84.9Confident111 Ų11186.3 Ų86.368%0.68149%0.487SS*.EExtended strand (participates in β ladder)trans-82.2136.4165.146.20000108.7G412 F413G412-T421 CarbonylContact O-C 3.6Å; G412-T421 WeakPolarHBondContact O-CA 3.38Å; F413-T421 HydrophobicContact CD1-CG2 3.88Å; F413-T421 HydrophobicContact CE1-CG2 3.57Å; F413-T421 HydrophobicContact CZ-CG2 4.43Å
422E70Confident84.7Confident200 Ų20082.6 Ų82.694%0.93545%0.451SS*.  trans-77.90-178.9-153.7173.9-155.600112.5G412 A414G412-E422 PolarHBondContact O-N 2.87Å; A414-E422 HydrophobicContact CB-CB 4.39Å; A414-E422 HydrophobicContact CB-CG 4.26Å

Retrieved 422 of 422 residues in 216.2 ms (Link to these results)

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