A0A077ZDY3_TRITR Loading...

O-phosphoserine phosphohydrolase

AlphaFold DB , UniProt , Accession A0A077ZDY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 748 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.1Very low60.7Low160 Ų16090.9 Ų90.979%0.78850%0.5SS*.  01360-69.2176.6-175.100107.5L19 P30M1-L19 HydrophobicContact CE-CD1 3.62Å; M1-L19 HydrophobicContact SD-CD1 3.98Å; M1-P30 HydrophobicContact SD-CB 4.21Å; M1-P30 HydrophobicContact SD-CG 3.97Å
2P42.7Very low61.7Low115 Ų11588.3 Ų88.375%0.74749%0.485SS*.  trans-54.5144.2164.825.7-31.2000108.3I4P2-I4 PolarHBondContact O-N 2.84Å
3N50.5Low62.5Low154 Ų15481.5 Ų81.582%0.82445%0.448SS*.  trans-59.398.1176.8-76.7-13.1000108.6T5N3-T5 PolarHBondContact O-N 3.5Å
4I56Low62.7Low49 Ų4977.6 Ų77.625%0.25143%0.429SS..  trans-68.8118.4171.1-60176.7000105.7P2 D8 L9 V28P2-I4 PolarHBondContact O-N 2.84Å; I4-D8 HydrophobicContact CG2-CB 3.87Å; I4-L9 HydrophobicContact CG2-CD2 4.14Å; I4-L9 HydrophobicContact CG2-CG 4.32Å; I4-V28 VanDerWaalsContact O-O 3.05Å
5T60.9Low62.9Low60 Ų6079.9 Ų79.937%0.36844%0.44SS..  trans-88.5165.1175.666.10000110.4N3 C7 D8N3-T5 PolarHBondContact O-N 3.5Å; T5-C7 PolarHBondContact O-N 2.95Å; T5-C7 VanDerWaalsContact O-N 3.1Å; T5-C7 PolarHBondContact OG1-N 3.14Å; T5-D8 WeakPolarHBondContact CB-OD2 3.34Å; T5-D8 PolarHBondContact N-OD2 3.4Å; T5-D8 PolarHBondContact O-N 3.39Å; T5-D8 VanDerWaalsContact OG1-CG 3.28Å; T5-D8 PolarHBondContact OG1-OD2 3.26Å
6W65.7Low63.2Low28 Ų2875.8 Ų75.811%0.10642%0.416CS..G310 helixtrans-51.6-33171.8-179.5-105.4000112.7D8 L9 W16 L23 D26 V28 K49 L52 T53W6-D8 VanDerWaalsContact C-N 3.33Å; W6-D8 PolarHBondContact O-N 3.29Å; W6-L9 HydrophobicContact CE3-CD1 4.32Å; W6-W16 AromaticContact CH2-CH2 3.65Å; W6-W16 HydrophobicContact CH2-CH2 3.65Å; W6-W16 HydrophobicContact CH2-CZ2 4.05Å; W6-W16 AromaticContact CZ3-CH2 3.49Å; W6-W16 HydrophobicContact CZ3-CH2 3.49Å; W6-W16 VanDerWaalsContact CZ3-CH2 3.49Å; W6-W16 HydrophobicContact CZ3-CZ2 4.12Å; W6-W16 HydrophobicContact CZ3-CZ3 4.38Å; W6-L23 HydrophobicContact CE3-CD1 4.46Å; W6-L23 HydrophobicContact CE3-CD2 3.55Å; W6-L23 HydrophobicContact CH2-CD1 3.95Å; W6-L23 HydrophobicContact CZ3-CD1 3.46Å; W6-L23 VanDerWaalsContact CZ3-CD1 3.46Å; W6-L23 HydrophobicContact CZ3-CD2 3.3Å; W6-L23 HydrophobicContact CZ3-CG 3.98Å; W6-D26 VanDerWaalsContact CB-O 3.31Å; W6-D26 WeakPolarHBondContact CB-O 3.36Å; W6-D26 PolarHBondContact N-O 2.88Å; W6-V28 HydrophobicContact CB-CG2 4.02Å; W6-V28 HydrophobicContact CE3-CG2 3.8Å; W6-K49 HydrophobicContact CH2-CB 4.48Å; W6-K49 HydrophobicContact CH2-CG 4.38Å; W6-K49 HydrophobicContact CZ2-CB 3.77Å; W6-K49 HydrophobicContact CZ2-CD 4.43Å; W6-K49 HydrophobicContact CZ2-CG 3.94Å; W6-K49 WeakPolarHBondContact CZ2-O 3.39Å; W6-K49 PolarHBondContact O-NZ 3.03Å; W6-L52 HydrophobicContact CH2-CD2 4.17Å; W6-T53 WeakPolarHBondContact CZ2-OG1 3.47Å
7C66.9Low62.7Low106 Ų10674.4 Ų74.472%0.71641%0.411SS*.G310 helixtrans-67.4-29.3177.8-63.50000113.5T5 K49T5-C7 PolarHBondContact O-N 2.95Å; T5-C7 VanDerWaalsContact O-N 3.1Å; T5-C7 PolarHBondContact OG1-N 3.14Å; C7-K49 PolarHBondContact O-NZ 3.49Å
8D67.5Low62.2Low107 Ų10772.1 Ų72.157%0.57241%0.407SS*.G310 helixtrans-82-15.8-173-60.3-48.3000113.8I4 T5 W6I4-D8 HydrophobicContact CG2-CB 3.87Å; T5-D8 WeakPolarHBondContact CB-OD2 3.34Å; T5-D8 PolarHBondContact N-OD2 3.4Å; T5-D8 PolarHBondContact O-N 3.39Å; T5-D8 VanDerWaalsContact OG1-CG 3.28Å; T5-D8 PolarHBondContact OG1-OD2 3.26Å; W6-D8 VanDerWaalsContact C-N 3.33Å; W6-D8 PolarHBondContact O-N 3.29Å
9L69.3Low61.7Low13 Ų1370 Ų707%0.06840%0.395CS..SBendtrans-69.9156.5177.4-68.9173.2000111.5I4 W6 W16 P17 L21 V28 K49I4-L9 HydrophobicContact CG2-CD2 4.14Å; I4-L9 HydrophobicContact CG2-CG 4.32Å; W6-L9 HydrophobicContact CE3-CD1 4.32Å; L9-W16 HydrophobicContact CD1-CD2 4.12Å; L9-W16 HydrophobicContact CD1-CE3 4.23Å; L9-W16 HydrophobicContact CD1-CH2 4.08Å; L9-W16 HydrophobicContact CD1-CZ2 4.02Å; L9-W16 HydrophobicContact CD1-CZ3 4.16Å; L9-W16 HydrophobicContact CD2-CG 4.44Å; L9-P17 HydrophobicContact CD2-CG 4.39Å; L9-L21 HydrophobicContact CD1-CD1 4Å; L9-L21 HydrophobicContact CD2-CD1 4.05Å; L9-V28 HydrophobicContact CD1-CG1 4.2Å; L9-V28 HydrophobicContact CD1-CG2 3.92Å; L9-K49 VanDerWaalsContact C-NZ 3.28Å; L9-K49 VanDerWaalsContact CB-CE 3.41Å; L9-K49 WeakPolarHBondContact O-CE 3.29Å; L9-K49 PolarHBondContact O-NZ 3.3Å
10P73.5Confident61.4Low50 Ų5066.9 Ų66.933%0.32538%0.378SS..  trans-68.4148.2168.4-22.134.2000112.4D12 L15 W16 K49P10-D12 VanDerWaalsContact C-N 3.28Å; P10-D12 PolarHBondContact O-N 3.49Å; P10-L15 HydrophobicContact CB-CB 3.77Å; P10-L15 HydrophobicContact CB-CD1 3.99Å; P10-L15 HydrophobicContact CB-CG 4.49Å; P10-L15 HydrophobicContact CG-CB 3.77Å; P10-W16 PolarHBondContact O-NE1 3.05Å; P10-K49 VanDerWaalsContact C-CE 3.48Å; P10-K49 WeakPolarHBondContact O-CE 3.3Å
11E76.5Confident61.4Low158 Ų15863.8 Ų63.874%0.73836%0.36SS*.SBendtrans-58.8-40.8175.1-77.2-170162.900112.3V13 K49E11-V13 PolarHBondContact O-N 3.24Å; E11-K49 PolarHBondContact O-N 2.81Å; E11-K49 VanDerWaalsContact O-N 3.16Å
12D73.4Confident62.5Low59 Ų5957.2 Ų57.232%0.31633%0.33SS..BIsolated β-bridgetrans-73.3112.9172.5-174.9-12.2000109.9P10 S14 L15P10-D12 VanDerWaalsContact C-N 3.28Å; P10-D12 PolarHBondContact O-N 3.49Å; D12-S14 PolarHBondContact O-N 2.99Å; D12-S14 VanDerWaalsContact OD1-CB 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.29Å; D12-S14 PolarHBondContact OD1-N 2.82Å; D12-S14 PolarHBondContact OD1-OG 3Å; D12-S14 PolarHBondContact OD2-OG 3.48Å; D12-S14 VanDerWaalsContact OD2-OG 3.09Å; D12-L15 HydrophobicContact CB-CD1 3.96Å; D12-L15 HydrophobicContact CB-CG 4.07Å; D12-L15 WeakPolarHBondContact O-CB 3.26Å; D12-L15 PolarHBondContact O-N 3.34Å; D12-L15 VanDerWaalsContact O-N 3.11Å
13V71.1Confident63.2Low0 Ų051.8 Ų51.80%029%0.294CS..G310 helixtrans-62.1-24.7-179.1-56.30000112.7E11 L15 W16 L47 L52 A68 Q75 I77E11-V13 PolarHBondContact O-N 3.24Å; V13-L15 PolarHBondContact O-N 2.58Å; V13-W16 HydrophobicContact CB-CD2 4.39Å; V13-W16 HydrophobicContact CB-CZ2 4.42Å; V13-W16 HydrophobicContact CG1-CH2 4.44Å; V13-W16 HydrophobicContact CG1-CZ2 3.8Å; V13-W16 WeakPolarHBondContact O-CB 3.35Å; V13-W16 VanDerWaalsContact O-CG 3.3Å; V13-W16 PolarHBondContact O-N 3.34Å; V13-L47 HydrophobicContact CG2-CG 4.39Å; V13-L47 WeakPolarHBondContact CG2-O 3.27Å; V13-L52 HydrophobicContact CG1-CD2 4.25Å; V13-A68 WeakPolarHBondContact O-CB 3.18Å; V13-Q75 HydrophobicContact CG2-CB 3.7Å; V13-Q75 HydrophobicContact CG2-CG 3.99Å; V13-I77 HydrophobicContact CB-CD1 4.03Å; V13-I77 HydrophobicContact CB-CG1 4.35Å; V13-I77 HydrophobicContact CG1-CD1 4.12Å; V13-I77 HydrophobicContact CG2-CD1 3.95Å; V13-I77 HydrophobicContact CG2-CG1 3.96Å
14S65.9Low63.6Low27 Ų2747.6 Ų47.619%0.18928%0.277CS..G310 helixtrans-69.1-14.9178.772.90000113.5D12D12-S14 PolarHBondContact O-N 2.99Å; D12-S14 VanDerWaalsContact OD1-CB 3.29Å; D12-S14 WeakPolarHBondContact OD1-CB 3.29Å; D12-S14 PolarHBondContact OD1-N 2.82Å; D12-S14 PolarHBondContact OD1-OG 3Å; D12-S14 PolarHBondContact OD2-OG 3.48Å; D12-S14 VanDerWaalsContact OD2-OG 3.09Å
15L65.4Low63.6Low113 Ų11347.6 Ų47.659%0.59229%0.29SS*.G310 helixtrans-92.81.8176.9-58178.2000113P10 D12 V13P10-L15 HydrophobicContact CB-CB 3.77Å; P10-L15 HydrophobicContact CB-CD1 3.99Å; P10-L15 HydrophobicContact CB-CG 4.49Å; P10-L15 HydrophobicContact CG-CB 3.77Å; D12-L15 HydrophobicContact CB-CD1 3.96Å; D12-L15 HydrophobicContact CB-CG 4.07Å; D12-L15 WeakPolarHBondContact O-CB 3.26Å; D12-L15 PolarHBondContact O-N 3.34Å; D12-L15 VanDerWaalsContact O-N 3.11Å; V13-L15 PolarHBondContact O-N 2.58Å
16W67.6Low63.2Low13 Ų1351 Ų515%0.04931%0.305CS..SBendtrans-69.4142.8-177.5-71.114.5000111.2W6 L9 P10 V13 G18 L21 L23 K49 L52 I65W6-W16 AromaticContact CH2-CH2 3.65Å; W6-W16 HydrophobicContact CH2-CH2 3.65Å; W6-W16 HydrophobicContact CH2-CZ2 4.05Å; W6-W16 AromaticContact CZ3-CH2 3.49Å; W6-W16 HydrophobicContact CZ3-CH2 3.49Å; W6-W16 VanDerWaalsContact CZ3-CH2 3.49Å; W6-W16 HydrophobicContact CZ3-CZ2 4.12Å; W6-W16 HydrophobicContact CZ3-CZ3 4.38Å; L9-W16 HydrophobicContact CD1-CD2 4.12Å; L9-W16 HydrophobicContact CD1-CE3 4.23Å; L9-W16 HydrophobicContact CD1-CH2 4.08Å; L9-W16 HydrophobicContact CD1-CZ2 4.02Å; L9-W16 HydrophobicContact CD1-CZ3 4.16Å; L9-W16 HydrophobicContact CD2-CG 4.44Å; P10-W16 PolarHBondContact O-NE1 3.05Å; V13-W16 HydrophobicContact CB-CD2 4.39Å; V13-W16 HydrophobicContact CB-CZ2 4.42Å; V13-W16 HydrophobicContact CG1-CH2 4.44Å; V13-W16 HydrophobicContact CG1-CZ2 3.8Å; V13-W16 WeakPolarHBondContact O-CB 3.35Å; V13-W16 VanDerWaalsContact O-CG 3.3Å; V13-W16 PolarHBondContact O-N 3.34Å; W16-G18 PolarHBondContact O-N 3Å; W16-L21 HydrophobicContact CD2-CD1 4.4Å; W16-L21 HydrophobicContact CE3-CD1 3.69Å; W16-L21 HydrophobicContact CZ3-CD1 4.15Å; W16-L23 HydrophobicContact CH2-CD1 4.33Å; W16-L23 HydrophobicContact CZ3-CD1 4.41Å; W16-K49 HydrophobicContact CZ2-CG 3.86Å; W16-L52 HydrophobicContact CH2-CD2 3.34Å; W16-L52 HydrophobicContact CZ2-CD2 4.08Å; W16-L52 HydrophobicContact CZ3-CD2 3.92Å; W16-I65 HydrophobicContact CE3-CD1 4.27Å; W16-I65 HydrophobicContact CE3-CG2 4.38Å; W16-I65 HydrophobicContact CH2-CD1 4.15Å; W16-I65 HydrophobicContact CZ3-CD1 3.42Å; W16-I65 VanDerWaalsContact CZ3-CD1 3.42Å
17P54.9Low62.2Low53 Ų5355.9 Ų55.934%0.34433%0.329SS..  trans-59.7137.6179.125.2-32.7000109.7L9 L19L9-P17 HydrophobicContact CD2-CG 4.39Å; P17-L19 PolarHBondContact O-N 3.21Å
18G54.7Low61.7Low33 Ų3351.2 Ų51.234%0.3430%0.298SS..SBendtrans-67.737.4179.500000115.1W16 S478W16-G18 PolarHBondContact O-N 3Å; G18-S478 PolarHBondContact O-OG 3.41Å
19L51.1Low60.9Low32 Ų3251.5 Ų51.517%0.16830%0.297CS..SBendtrans-102.5143.6173.4-64.4174.6000108.6M1 P17 L21M1-L19 HydrophobicContact CE-CD1 3.62Å; M1-L19 HydrophobicContact SD-CD1 3.98Å; P17-L19 PolarHBondContact O-N 3.21Å; L19-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact O-N 3.16Å
20P56.5Low60.2Low8 Ų853.5 Ų53.55%0.05231%0.311CS..  trans-59.3120.1169.5-22.132.2000110.4P30 L31 Y33 I65 S478P20-P30 WeakPolarHBondContact O-CA 3.27Å; P20-L31 HydrophobicContact CB-CB 4.14Å; P20-L31 PolarHBondContact O-N 2.94Å; P20-Y33 WeakPolarHBondContact CG-O 3.42Å; P20-I65 CarbonylContact C-O 3.25Å; P20-I65 WeakPolarHBondContact CA-O 3.4Å; P20-S478 WeakPolarHBondContact CD-OG 3.29Å
21L60.9Low59.2Low2 Ų254.1 Ų54.11%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-107.3123.7177.1-59.4-179.8000109.2L9 W16 L19 V28 V64 I65L9-L21 HydrophobicContact CD1-CD1 4Å; L9-L21 HydrophobicContact CD2-CD1 4.05Å; W16-L21 HydrophobicContact CD2-CD1 4.4Å; W16-L21 HydrophobicContact CE3-CD1 3.69Å; W16-L21 HydrophobicContact CZ3-CD1 4.15Å; L19-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L21-V28 HydrophobicContact CB-CG1 4.19Å; L21-V28 HydrophobicContact CD1-CG1 4.16Å; L21-V28 HydrophobicContact CD2-CG1 3.72Å; L21-V28 HydrophobicContact CG-CG1 4.23Å; L21-V64 CarbonylContact O-C 3.55Å; L21-V64 WeakPolarHBondContact O-CA 3.24Å; L21-I65 HydrophobicContact CB-CB 4.48Å; L21-I65 PolarHBondContact N-O 2.9Å; L21-I65 PolarHBondContact O-N 2.87Å
22S60.8Low57.7Low22 Ų2253.1 Ų53.115%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-81.5122.9165-168.20000109.2V28 M29S22-V28 WeakPolarHBondContact O-CA 3.41Å; S22-M29 PolarHBondContact N-O 3.39Å; S22-M29 PolarHBondContact O-N 2.87Å
23L58.8Low56.5Low0 Ų054.3 Ų54.30%031%0.311CS..EExtended strand (participates in β ladder)trans-99.3112.2167.1-59-174000109.3W6 W16 V28 L52 Q56 A62 M63 I65W6-L23 HydrophobicContact CE3-CD1 4.46Å; W6-L23 HydrophobicContact CE3-CD2 3.55Å; W6-L23 HydrophobicContact CH2-CD1 3.95Å; W6-L23 HydrophobicContact CZ3-CD1 3.46Å; W6-L23 VanDerWaalsContact CZ3-CD1 3.46Å; W6-L23 HydrophobicContact CZ3-CD2 3.3Å; W6-L23 HydrophobicContact CZ3-CG 3.98Å; W16-L23 HydrophobicContact CH2-CD1 4.33Å; W16-L23 HydrophobicContact CZ3-CD1 4.41Å; L23-V28 HydrophobicContact CD2-CG2 3.81Å; L23-L52 HydrophobicContact CD1-CD2 4.02Å; L23-L52 HydrophobicContact CD1-CG 4.27Å; L23-Q56 PolarHBondContact O-NE2 3.11Å; L23-A62 VanDerWaalsContact O-CA 3.28Å; L23-A62 WeakPolarHBondContact O-CA 3.28Å; L23-A62 WeakPolarHBondContact O-CB 3.37Å; L23-M63 HydrophobicContact CD1-CE 4.09Å; L23-M63 PolarHBondContact N-O 3.14Å; L23-M63 PolarHBondContact O-N 3.35Å; L23-I65 HydrophobicContact CD1-CD1 3.39Å; L23-I65 HydrophobicContact CD1-CG1 4.49Å; L23-I65 HydrophobicContact CG-CD1 3.97Å
24S58.2Low55.4Low67 Ų6759.4 Ų59.447%0.46934%0.335SS..EExtended strand (participates in β ladder)trans-136.290.2173.4171.60000108.9E27S24-E27 PolarHBondContact N-O 3.11Å; S24-E27 PolarHBondContact O-N 2.74Å
25G55.7Low54.7Low49 Ų4958.5 Ų58.551%0.50533%0.329SS..THydrogen-bonded Turntrans65.6-133.1-169.400000111.4
26D51.9Low54.1Low130 Ų13055.9 Ų55.970%0.69533%0.329SS*.THydrogen-bonded Turntrans-85.7-5.6-179.7-64.8-31.7000113.8W6W6-D26 VanDerWaalsContact CB-O 3.31Å; W6-D26 WeakPolarHBondContact CB-O 3.36Å; W6-D26 PolarHBondContact N-O 2.88Å
27E46.1Very low53.6Low131 Ų13166 Ų6661%0.61237%0.367SS*.EExtended strand (participates in β ladder)trans-84.9122.2177.9-70.8-172.8167.600110.8S24S24-E27 PolarHBondContact N-O 3.11Å; S24-E27 PolarHBondContact O-N 2.74Å
28V55.4Low54.1Low9 Ų966.3 Ų66.36%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-105.5112.1168.8176.10000107.2I4 W6 L9 L21 S22 L23I4-V28 VanDerWaalsContact O-O 3.05Å; W6-V28 HydrophobicContact CB-CG2 4.02Å; W6-V28 HydrophobicContact CE3-CG2 3.8Å; L9-V28 HydrophobicContact CD1-CG1 4.2Å; L9-V28 HydrophobicContact CD1-CG2 3.92Å; L21-V28 HydrophobicContact CB-CG1 4.19Å; L21-V28 HydrophobicContact CD1-CG1 4.16Å; L21-V28 HydrophobicContact CD2-CG1 3.72Å; L21-V28 HydrophobicContact CG-CG1 4.23Å; S22-V28 WeakPolarHBondContact O-CA 3.41Å; L23-V28 HydrophobicContact CD2-CG2 3.81Å
29M51.8Low55.3Low112 Ų11265 Ų6555%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-110.2123.3174.9-65-167.880.400109.9S22 L31S22-M29 PolarHBondContact N-O 3.39Å; S22-M29 PolarHBondContact O-N 2.87Å; M29-L31 PolarHBondContact O-N 3.45Å
30P53.2Low57Low56 Ų5664.2 Ų64.236%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-58.2123163.8-1729000108.5M1 P20M1-P30 HydrophobicContact SD-CB 4.21Å; M1-P30 HydrophobicContact SD-CG 3.97Å; P20-P30 WeakPolarHBondContact O-CA 3.27Å
31L53Low58.6Low62 Ų6264 Ų6433%0.32535%0.351SS..  trans-103.3137.5176.6-68.6172.5000110.2P20 M29 Y33 V64P20-L31 HydrophobicContact CB-CB 4.14Å; P20-L31 PolarHBondContact O-N 2.94Å; M29-L31 PolarHBondContact O-N 3.45Å; L31-Y33 PolarHBondContact O-N 3.45Å; L31-V64 HydrophobicContact CD1-CB 4.33Å; L31-V64 HydrophobicContact CD1-CG1 3.72Å; L31-V64 HydrophobicContact CD1-CG2 3.69Å
32D45.9Very low60Low137 Ų13763.9 Ų63.973%0.73335%0.35SS*.  trans-76.971.3161.3-1654.3000108.7
33Y46.8Very low61.5Low85 Ų8562.8 Ų62.833%0.33334%0.343SS..  trans-113.6114.8-173-172.3-96.6000111.8P20 L31 A35 V64 A80P20-Y33 WeakPolarHBondContact CG-O 3.42Å; L31-Y33 PolarHBondContact O-N 3.45Å; Y33-A35 HydrophobicContact CD1-CB 3.9Å; Y33-A35 VanDerWaalsContact CE1-CA 3.43Å; Y33-A35 HydrophobicContact CE1-CB 3.49Å; Y33-A35 VanDerWaalsContact CE1-CB 3.49Å; Y33-A35 PolarHBondContact O-N 3.12Å; Y33-V64 HydrophobicContact CD1-CG1 4.03Å; Y33-V64 HydrophobicContact CE1-CG1 4.43Å; Y33-V64 HydrophobicContact CG-CG1 4.19Å; Y33-A80 HydrophobicContact CD1-CB 4.14Å; Y33-A80 HydrophobicContact CE1-CB 3.27Å
34H48.5Very low62.9Low107 Ų10763 Ų6350%0.49535%0.345SS..  trans-92.892.3171.2-71.7-29.4000111.1G36 L515H34-G36 PolarHBondContact O-N 2.87Å; H34-G36 VanDerWaalsContact O-N 3.07Å; H34-L515 WeakPolarHBondContact NE2-CD1 3.33Å
35A50.6Low64.3Low8 Ų865.5 Ų65.57%0.06634%0.344CS..  trans-66.5-7.3178.900000114.8Y33 R37 S38 V66Y33-A35 HydrophobicContact CD1-CB 3.9Å; Y33-A35 VanDerWaalsContact CE1-CA 3.43Å; Y33-A35 HydrophobicContact CE1-CB 3.49Å; Y33-A35 VanDerWaalsContact CE1-CB 3.49Å; Y33-A35 PolarHBondContact O-N 3.12Å; A35-R37 PolarHBondContact O-N 2.89Å; A35-S38 PolarHBondContact O-N 3.24Å; A35-S38 PolarHBondContact O-OG 3.41Å; A35-V66 HydrophobicContact CB-CG1 3.97Å; A35-V66 HydrophobicContact CB-CG2 3.72Å
36G53.4Low65.7Low58 Ų5865 Ų6560%0.59834%0.339SS*.THydrogen-bonded Turntrans50.6-137.8-174.600000111.9H34 S38 R78H34-G36 PolarHBondContact O-N 2.87Å; H34-G36 VanDerWaalsContact O-N 3.07Å; G36-S38 VanDerWaalsContact C-N 3.34Å; G36-R78 PolarHBondContact O-NH2 3.4Å
37R56.7Low67.4Low224 Ų22459 Ų5985%0.84531%0.307SS*.THydrogen-bonded Turntrans-88.92.9171.2-68.1-174.4177.4-176.5-2113.7A35A35-R37 PolarHBondContact O-N 2.89Å
38S65.9Low69.2Low61 Ų6155.3 Ų55.343%0.42729%0.291SS..  trans-88.9158.7-179.770.80000111.7A35 G36 R78A35-S38 PolarHBondContact O-N 3.24Å; A35-S38 PolarHBondContact O-OG 3.41Å; G36-S38 VanDerWaalsContact C-N 3.34Å; S38-R78 PolarHBondContact O-NH2 3.19Å
39G79.4Confident70.6Confident6 Ų656.1 Ų56.16%0.06229%0.294CS..  trans140.1-166178.500000112.9L79 G81 L101G39-L79 CarbonylContact C-O 3.54Å; G39-L79 WeakPolarHBondContact CA-O 3.27Å; G39-G81 CarbonylContact C-O 3.55Å; G39-G81 WeakPolarHBondContact CA-O 3.13Å; G39-G81 PolarHBondContact N-O 2.85Å; G39-L101 VanDerWaalsContact O-CB 3.3Å; G39-L101 WeakPolarHBondContact O-CB 3.39Å; G39-L101 PolarHBondContact O-N 3.22Å
40W87.7Confident72.1Confident14 Ų1456.9 Ų56.95%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-156.6161.6169.953-75.2000110.1L42 Y55 L79 A80 L83 A87 V98 A99W40-L42 HydrophobicContact CZ3-CB 4.07Å; W40-L42 HydrophobicContact CZ3-CD1 4.49Å; W40-Y55 AromaticContact CH2-CE1 3.99Å; W40-Y55 HydrophobicContact CH2-CE1 3.99Å; W40-Y55 WeakPolarHBondContact CH2-OH 3.32Å; W40-L79 HydrophobicContact CD2-CB 3.97Å; W40-L79 HydrophobicContact CD2-CD1 4.22Å; W40-L79 HydrophobicContact CE3-CD1 4.02Å; W40-L79 HydrophobicContact CG-CB 4.38Å; W40-L79 HydrophobicContact CH2-CB 4.49Å; W40-L79 HydrophobicContact CH2-CD1 3.2Å; W40-L79 HydrophobicContact CH2-CG 4.43Å; W40-L79 HydrophobicContact CZ2-CB 3.9Å; W40-L79 HydrophobicContact CZ2-CD1 3.39Å; W40-L79 HydrophobicContact CZ2-CG 4.23Å; W40-L79 HydrophobicContact CZ3-CD1 3.53Å; W40-L79 PolarHBondContact N-O 3.43Å; W40-L79 PolarHBondContact O-N 3.35Å; W40-A80 PolarHBondContact NE1-O 3.4Å; W40-L83 HydrophobicContact CB-CB 3.79Å; W40-L83 HydrophobicContact CB-CD1 4.43Å; W40-L83 HydrophobicContact CD2-CB 4.31Å; W40-L83 HydrophobicContact CD2-CD1 3.71Å; W40-L83 HydrophobicContact CE3-CD1 3.47Å; W40-L83 VanDerWaalsContact CE3-CD1 3.47Å; W40-L83 HydrophobicContact CG-CB 3.87Å; W40-L83 HydrophobicContact CG-CD1 4.15Å; W40-L83 HydrophobicContact CH2-CD1 4.5Å; W40-L83 HydrophobicContact CZ3-CD1 3.89Å; W40-A87 HydrophobicContact CH2-CB 4.04Å; W40-A87 HydrophobicContact CZ2-CB 4.31Å; W40-V98 HydrophobicContact CE3-CB 4.39Å; W40-V98 HydrophobicContact CE3-CG1 4.02Å; W40-V98 HydrophobicContact CZ3-CG1 3.76Å; W40-A99 CarbonylContact C-O 3.59Å; W40-A99 VanDerWaalsContact CA-O 3.29Å; W40-A99 WeakPolarHBondContact CA-O 3.49Å
41L89.5Confident73.9Confident3 Ų357 Ų572%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-100144.3176-58.1-174.1000110.6Y43 W69 V76 I77 R78 V98 A99 N320L41-Y43 HydrophobicContact CB-CD1 4.21Å; L41-W69 HydrophobicContact CD1-CZ2 4.5Å; L41-W69 HydrophobicContact CD2-CH2 3.62Å; L41-W69 HydrophobicContact CD2-CZ2 4.18Å; L41-V76 HydrophobicContact CB-CG1 4.46Å; L41-V76 HydrophobicContact CD1-CG1 4.15Å; L41-V76 HydrophobicContact CD2-CG1 4.23Å; L41-I77 CarbonylContact C-O 3.59Å; L41-I77 WeakPolarHBondContact CA-O 3.35Å; L41-R78 HydrophobicContact CD2-CB 4.01Å; L41-R78 HydrophobicContact CD2-CG 4.37Å; L41-V98 CarbonylContact O-C 3.56Å; L41-V98 WeakPolarHBondContact O-CA 3.48Å; L41-V98 WeakPolarHBondContact O-CB 3.37Å; L41-A99 HydrophobicContact CB-CB 4.42Å; L41-A99 PolarHBondContact N-O 2.88Å; L41-A99 PolarHBondContact O-N 2.89Å; L41-A99 VanDerWaalsContact O-N 3.08Å; L41-N320 WeakPolarHBondContact CD1-OD1 3.37Å; L41-N320 WeakPolarHBondContact CD2-OD1 3.36Å; L41-N320 WeakPolarHBondContact CG-OD1 3.36Å
42L91.4Very high75.5Confident0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-120.2126.6162.2179.869.6000107.3W40 L47 L52 Y55 I77 L79 A91 L96 V98W40-L42 HydrophobicContact CZ3-CB 4.07Å; W40-L42 HydrophobicContact CZ3-CD1 4.49Å; L42-L47 HydrophobicContact CD2-CD1 4.46Å; L42-L47 HydrophobicContact CD2-CD2 4.36Å; L42-L47 HydrophobicContact CG-CD2 4.2Å; L42-L52 HydrophobicContact CD2-CD1 4.08Å; L42-Y55 HydrophobicContact CD2-CD1 3.85Å; L42-Y55 HydrophobicContact CD2-CE1 3.92Å; L42-Y55 HydrophobicContact CD2-CG 4.35Å; L42-I77 PolarHBondContact N-O 3.07Å; L42-I77 PolarHBondContact O-N 3.47Å; L42-L79 HydrophobicContact CB-CD1 3.98Å; L42-L79 HydrophobicContact CD2-CD1 4.4Å; L42-A91 HydrophobicContact CD1-CB 3.68Å; L42-L96 HydrophobicContact CD1-CB 3.88Å; L42-L96 HydrophobicContact CD1-CD1 3.9Å; L42-L96 HydrophobicContact CD2-CD1 4.21Å; L42-L96 HydrophobicContact CG-CD1 4.19Å; L42-V98 HydrophobicContact CD1-CG1 3.67Å
43Y91Very high77.4Confident0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-148.2155.9-177.561.3-79.9000113.1L41 Q75 D97 A99 A306L41-Y43 HydrophobicContact CB-CD1 4.21Å; Y43-Q75 WeakPolarHBondContact CA-O 3.34Å; Y43-Q75 WeakPolarHBondContact CB-O 3.43Å; Y43-D97 HydrophobicContact CD1-CB 4.33Å; Y43-D97 WeakPolarHBondContact CD1-O 3.49Å; Y43-D97 HydrophobicContact CD2-CB 4.13Å; Y43-D97 HydrophobicContact CE1-CB 3.76Å; Y43-D97 HydrophobicContact CE2-CB 3.54Å; Y43-D97 HydrophobicContact CG-CB 4.49Å; Y43-D97 PolarHBondContact N-O 3.48Å; Y43-D97 PolarHBondContact O-N 2.91Å; Y43-D97 WeakPolarHBondContact OH-CB 3.34Å; Y43-A99 HydrophobicContact CE1-CB 4.37Å; Y43-A306 HydrophobicContact CD2-CB 4.46Å; Y43-A306 HydrophobicContact CE2-CB 3.94Å
44G89Confident79.3Confident4 Ų450.6 Ų50.64%0.04126%0.26CS..EExtended strand (participates in β ladder)trans171.1165.4177.700000111.5Q75G44-Q75 PolarHBondContact N-O 3.1Å; G44-Q75 VanDerWaalsContact N-O 3.07Å; G44-Q75 PolarHBondContact O-N 2.92Å; G44-Q75 VanDerWaalsContact O-N 3.12Å; G44-Q75 PolarHBondContact O-OE1 3.26Å
45R88.3Confident81.4Confident120 Ų12045.7 Ų45.745%0.45324%0.237SC..EExtended strand (participates in β ladder)trans-71.3134.5173.3-69.6-179173.8151.61.3110L47 R51 D73 Y74 D307R45-L47 VanDerWaalsContact C-N 3.29Å; R45-L47 PolarHBondContact O-N 2.98Å; R45-R51 PolarHBondContact O-NH1 3.01Å; R45-D73 IonicContact CZ-OD1 3.86Å; R45-D73 IonicContact CZ-OD2 3.25Å; R45-D73 IonicContact NE-OD1 3.75Å; R45-D73 PolarHBondContact NE-OD1 3.43Å; R45-D73 IonicContact NE-OD2 3.89Å; R45-D73 PolarHBondContact NE-OD2 2.86Å; R45-D73 IonicContact NH2-OD1 3.47Å; R45-D73 PolarHBondContact NH2-OD1 2.89Å; R45-D73 IonicContact NH2-OD2 3.76Å; R45-D73 PolarHBondContact NH2-OD2 3.01Å; R45-D73 VanDerWaalsContact NH2-OD2 3.07Å; R45-Y74 HydrophobicContact CG-CD1 3.95Å; R45-Y74 HydrophobicContact CG-CE1 3.72Å; R45-Y74 PolarHBondContact NH2-OH 3.07Å; R45-D307 IonicContact CZ-OD2 3.61Å; R45-D307 IonicContact NH2-OD2 3.55Å; R45-D307 PolarHBondContact NH2-OD2 2.8Å
46G84.6Confident83.2Confident39 Ų3946.1 Ų46.140%0.40224%0.238SC..THydrogen-bonded Turntrans63.933.7179.300000112.6D48 R51G46-D48 PolarHBondContact O-N 3.47Å; G46-R51 WeakPolarHBondContact O-CD 3.33Å; G46-R51 PolarHBondContact O-NH1 3.09Å
47L87.2Confident84.7Confident2 Ų247.9 Ų47.91%0.0124%0.241CC..  trans-76.296.6169.1172.163.9000107.8V13 L42 R45 R51 L52 Q75 I77 L96V13-L47 HydrophobicContact CG2-CG 4.39Å; V13-L47 WeakPolarHBondContact CG2-O 3.27Å; L42-L47 HydrophobicContact CD2-CD1 4.46Å; L42-L47 HydrophobicContact CD2-CD2 4.36Å; L42-L47 HydrophobicContact CG-CD2 4.2Å; R45-L47 VanDerWaalsContact C-N 3.29Å; R45-L47 PolarHBondContact O-N 2.98Å; L47-R51 HydrophobicContact CD1-CB 4.4Å; L47-L52 HydrophobicContact CD1-CB 4.43Å; L47-Q75 HydrophobicContact CB-CB 3.91Å; L47-I77 HydrophobicContact CD2-CD1 3.68Å; L47-I77 HydrophobicContact CD2-CG1 3.83Å; L47-I77 HydrophobicContact CG-CD1 4.07Å; L47-L96 HydrophobicContact CB-CD2 4.17Å; L47-L96 HydrophobicContact CD1-CD1 3.83Å; L47-L96 HydrophobicContact CD1-CD2 4.22Å
48D85.1Confident86.3Confident54 Ų5442.9 Ų42.929%0.28923%0.225SC..BIsolated β-bridgetrans-107.2179179.859.729.5000111.3G46 Q50 R51 L52G46-D48 PolarHBondContact O-N 3.47Å; D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 2.83Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.48Å; D48-Q50 PolarHBondContact OD1-N 2.8Å; D48-R51 PolarHBondContact O-N 3.24Å; D48-R51 PolarHBondContact OD1-N 2.83Å; D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.39Å; D48-L52 PolarHBondContact O-N 3.21Å
49K83Confident87.5Confident26 Ų2640.8 Ų40.811%0.11321%0.209CC..Hα-helixtrans-47.3-50.3171.1-81.2-174.6-179.6-1640113.1W6 C7 L9 P10 E11 W16 R51 L52 T53W6-K49 HydrophobicContact CH2-CB 4.48Å; W6-K49 HydrophobicContact CH2-CG 4.38Å; W6-K49 HydrophobicContact CZ2-CB 3.77Å; W6-K49 HydrophobicContact CZ2-CD 4.43Å; W6-K49 HydrophobicContact CZ2-CG 3.94Å; W6-K49 WeakPolarHBondContact CZ2-O 3.39Å; W6-K49 PolarHBondContact O-NZ 3.03Å; C7-K49 PolarHBondContact O-NZ 3.49Å; L9-K49 VanDerWaalsContact C-NZ 3.28Å; L9-K49 VanDerWaalsContact CB-CE 3.41Å; L9-K49 WeakPolarHBondContact O-CE 3.29Å; L9-K49 PolarHBondContact O-NZ 3.3Å; P10-K49 VanDerWaalsContact C-CE 3.48Å; P10-K49 WeakPolarHBondContact O-CE 3.3Å; E11-K49 PolarHBondContact O-N 2.81Å; E11-K49 VanDerWaalsContact O-N 3.16Å; W16-K49 HydrophobicContact CZ2-CG 3.86Å; K49-R51 PolarHBondContact O-N 3.24Å; K49-L52 PolarHBondContact O-N 3.03Å; K49-T53 PolarHBondContact O-N 3.01Å; K49-T53 PolarHBondContact O-OG1 3.3Å; K49-T53 VanDerWaalsContact O-OG1 3.05Å
50Q85.1Confident87.6Confident128 Ų12843.5 Ų43.560%0.59824%0.237SC*.Hα-helixtrans-63.7-46.1-171.5-174.8-177.6-1.300111.2D48 L52 T53 Q54D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 2.83Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.48Å; D48-Q50 PolarHBondContact OD1-N 2.8Å; Q50-L52 VanDerWaalsContact C-N 3.32Å; Q50-L52 PolarHBondContact O-N 2.87Å; Q50-T53 PolarHBondContact O-N 3.3Å; Q50-Q54 VanDerWaalsContact O-CG 3.25Å; Q50-Q54 WeakPolarHBondContact O-CG 3.35Å; Q50-Q54 PolarHBondContact O-N 3.48Å
51R89.6Confident87.1Confident60 Ų6045.4 Ų45.423%0.22626%0.256CS..Hα-helixtrans-66.3-36.4177-70.2-179.777.3-1760.8111.8R45 G46 L47 D48 K49 Q54 Y55 A94R45-R51 PolarHBondContact O-NH1 3.01Å; G46-R51 WeakPolarHBondContact O-CD 3.33Å; G46-R51 PolarHBondContact O-NH1 3.09Å; L47-R51 HydrophobicContact CD1-CB 4.4Å; D48-R51 PolarHBondContact O-N 3.24Å; D48-R51 PolarHBondContact OD1-N 2.83Å; K49-R51 PolarHBondContact O-N 3.24Å; R51-Q54 PolarHBondContact O-N 3.12Å; R51-Y55 VanDerWaalsContact O-CB 3.29Å; R51-Y55 WeakPolarHBondContact O-CB 3.42Å; R51-Y55 PolarHBondContact O-N 3.47Å; R51-A94 PolarHBondContact NH2-O 3.36Å
52L87.9Confident86.6Confident0 Ų048.4 Ų48.40%028%0.281CS..Hα-helixtrans-67-42176.3-172.763.6000112.3W6 V13 W16 L23 L42 L47 D48 K49 Q50 Y55 Q56 M63 I65 I77W6-L52 HydrophobicContact CH2-CD2 4.17Å; V13-L52 HydrophobicContact CG1-CD2 4.25Å; W16-L52 HydrophobicContact CH2-CD2 3.34Å; W16-L52 HydrophobicContact CZ2-CD2 4.08Å; W16-L52 HydrophobicContact CZ3-CD2 3.92Å; L23-L52 HydrophobicContact CD1-CD2 4.02Å; L23-L52 HydrophobicContact CD1-CG 4.27Å; L42-L52 HydrophobicContact CD2-CD1 4.08Å; L47-L52 HydrophobicContact CD1-CB 4.43Å; D48-L52 VanDerWaalsContact O-CB 3.3Å; D48-L52 WeakPolarHBondContact O-CB 3.39Å; D48-L52 PolarHBondContact O-N 3.21Å; K49-L52 PolarHBondContact O-N 3.03Å; Q50-L52 VanDerWaalsContact C-N 3.32Å; Q50-L52 PolarHBondContact O-N 2.87Å; L52-Y55 PolarHBondContact O-N 3.36Å; L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 PolarHBondContact O-N 3.45Å; L52-M63 HydrophobicContact CD1-CE 3.53Å; L52-M63 HydrophobicContact CG-CE 3.94Å; L52-I65 HydrophobicContact CD2-CD1 3.7Å; L52-I77 HydrophobicContact CD1-CD1 3.76Å; L52-I77 HydrophobicContact CD2-CD1 3.67Å; L52-I77 HydrophobicContact CG-CD1 4.3Å
53T84.6Confident86.2Confident47 Ų4748.7 Ų48.729%0.28828%0.283SS..Hα-helixtrans-62.1-44.3172.3-54.70000111.3W6 K49 Q50 Y55 Q56 S57W6-T53 WeakPolarHBondContact CZ2-OG1 3.47Å; K49-T53 PolarHBondContact O-N 3.01Å; K49-T53 PolarHBondContact O-OG1 3.3Å; K49-T53 VanDerWaalsContact O-OG1 3.05Å; Q50-T53 PolarHBondContact O-N 3.3Å; T53-Y55 VanDerWaalsContact C-N 3.3Å; T53-Y55 PolarHBondContact O-N 2.91Å; T53-Q56 PolarHBondContact O-N 3.3Å; T53-S57 VanDerWaalsContact O-CB 3.29Å; T53-S57 WeakPolarHBondContact O-CB 3.49Å; T53-S57 PolarHBondContact O-N 3.18Å
54Q88.1Confident85.7Confident101 Ų10150.2 Ų50.247%0.47229%0.292SS..Hα-helixtrans-61.1-41.8176.6-73.2171.510.200111.5Q50 R51 K58Q50-Q54 VanDerWaalsContact O-CG 3.25Å; Q50-Q54 WeakPolarHBondContact O-CG 3.35Å; Q50-Q54 PolarHBondContact O-N 3.48Å; R51-Q54 PolarHBondContact O-N 3.12Å; Q54-K58 WeakPolarHBondContact O-CG 3.44Å; Q54-K58 PolarHBondContact O-N 3.47Å; Q54-K58 VanDerWaalsContact O-N 3.12Å
55Y91.1Very high85.4Confident4 Ų450.1 Ų50.12%0.01629%0.29CS..Hα-helixtrans-63.9-48.9176.2179.7-101.3000111.8W40 L42 R51 L52 T53 S57 K58 L59 M63 A87 L90 A91W40-Y55 AromaticContact CH2-CE1 3.99Å; W40-Y55 HydrophobicContact CH2-CE1 3.99Å; W40-Y55 WeakPolarHBondContact CH2-OH 3.32Å; L42-Y55 HydrophobicContact CD2-CD1 3.85Å; L42-Y55 HydrophobicContact CD2-CE1 3.92Å; L42-Y55 HydrophobicContact CD2-CG 4.35Å; R51-Y55 VanDerWaalsContact O-CB 3.29Å; R51-Y55 WeakPolarHBondContact O-CB 3.42Å; R51-Y55 PolarHBondContact O-N 3.47Å; L52-Y55 PolarHBondContact O-N 3.36Å; T53-Y55 VanDerWaalsContact C-N 3.3Å; T53-Y55 PolarHBondContact O-N 2.91Å; Y55-S57 PolarHBondContact O-N 3.24Å; Y55-K58 PolarHBondContact O-N 2.92Å; Y55-L59 HydrophobicContact CE1-CD2 4.32Å; Y55-L59 WeakPolarHBondContact O-CB 3.21Å; Y55-L59 PolarHBondContact O-N 3Å; Y55-M63 HydrophobicContact CD1-CE 4.29Å; Y55-M63 HydrophobicContact CD1-SD 3.63Å; Y55-M63 HydrophobicContact CE1-SD 3.74Å; Y55-A87 WeakPolarHBondContact OH-CA 3.49Å; Y55-A87 WeakPolarHBondContact OH-CB 3.33Å; Y55-A87 PolarHBondContact OH-O 3.36Å; Y55-L90 HydrophobicContact CD2-CB 4.24Å; Y55-L90 HydrophobicContact CE2-CB 3.72Å; Y55-A91 HydrophobicContact CE2-CB 3.88Å
56Q88.4Confident84.8Confident17 Ų1745.3 Ų45.38%0.07927%0.274CS..Hα-helixtrans-56.4-47.3175.9-171.9-160.95.600111.9L23 L52 T53 K58 L59 G60 M63L23-Q56 PolarHBondContact O-NE2 3.11Å; L52-Q56 WeakPolarHBondContact O-CB 3.31Å; L52-Q56 PolarHBondContact O-N 3.45Å; T53-Q56 PolarHBondContact O-N 3.3Å; Q56-K58 PolarHBondContact O-N 3.44Å; Q56-L59 WeakPolarHBondContact O-CB 3.35Å; Q56-L59 PolarHBondContact O-N 3.35Å; Q56-L59 VanDerWaalsContact O-N 3.15Å; Q56-G60 PolarHBondContact O-N 3.01Å; Q56-M63 HydrophobicContact CB-CE 3.55Å; Q56-M63 HydrophobicContact CB-SD 4.27Å; Q56-M63 HydrophobicContact CG-CE 3.93Å; Q56-M63 HydrophobicContact CG-CG 4.28Å
57S86.1Confident84.3Confident95 Ų9544 Ų4466%0.66426%0.259SS*.Hα-helixtrans-59.9-45.5-179.7178.90000111.4T53 Y55 G60T53-S57 VanDerWaalsContact O-CB 3.29Å; T53-S57 WeakPolarHBondContact O-CB 3.49Å; T53-S57 PolarHBondContact O-N 3.18Å; Y55-S57 PolarHBondContact O-N 3.24Å; S57-G60 PolarHBondContact O-N 2.93Å
58K90.2Very high83.9Confident119 Ų11944.7 Ų44.752%0.51727%0.266SS..Hα-helixtrans-67.5-34.3174.6-71.4-178.1178.3-176.70113.1Q54 Y55 Q56 G60 R86 L90Q54-K58 WeakPolarHBondContact O-CG 3.44Å; Q54-K58 PolarHBondContact O-N 3.47Å; Q54-K58 VanDerWaalsContact O-N 3.12Å; Y55-K58 PolarHBondContact O-N 2.92Å; Q56-K58 PolarHBondContact O-N 3.44Å; K58-G60 VanDerWaalsContact C-N 3.29Å; K58-R86 PolarHBondContact O-NH2 3.28Å; K58-L90 HydrophobicContact CB-CD1 4.13Å; K58-L90 HydrophobicContact CB-CD2 4.01Å; K58-L90 HydrophobicContact CD-CD2 4.38Å; K58-L90 WeakPolarHBondContact O-CD1 3.35Å
59L89.3Confident83.5Confident18 Ų1843.3 Ų43.39%0.09426%0.256CS..Hα-helixtrans-65.2-36.2176.9-173.664.8000111Y55 Q56 A61 M63 R86 A87 L90Y55-L59 HydrophobicContact CE1-CD2 4.32Å; Y55-L59 WeakPolarHBondContact O-CB 3.21Å; Y55-L59 PolarHBondContact O-N 3Å; Q56-L59 WeakPolarHBondContact O-CB 3.35Å; Q56-L59 PolarHBondContact O-N 3.35Å; Q56-L59 VanDerWaalsContact O-N 3.15Å; L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 HydrophobicContact CG-CB 4.31Å; L59-A61 PolarHBondContact O-N 3.33Å; L59-M63 HydrophobicContact CD2-CG 3.88Å; L59-M63 HydrophobicContact CD2-SD 4.01Å; L59-R86 VanDerWaalsContact O-CZ 3.24Å; L59-R86 PolarHBondContact O-NH2 3.49Å; L59-A87 HydrophobicContact CD1-CB 3.96Å; L59-L90 HydrophobicContact CB-CD1 4.22Å; L59-L90 HydrophobicContact CD1-CD1 4.13Å
60G83Confident83.2Confident63 Ų6344 Ų4465%0.64926%0.264SS*.THydrogen-bonded Turntrans69.525.1178.400000113.3Q56 S57 K58Q56-G60 PolarHBondContact O-N 3.01Å; S57-G60 PolarHBondContact O-N 2.93Å; K58-G60 VanDerWaalsContact C-N 3.29Å
61A77.2Confident82.6Confident54 Ų5438 Ų3845%0.44624%0.236SC..SBendtrans-140.7150.6178.800000110L59L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 HydrophobicContact CG-CB 4.31Å; L59-A61 PolarHBondContact O-N 3.33Å
62A77.5Confident81.9Confident66 Ų6641.3 Ų41.355%0.54525%0.254SS..  trans-62.2140.217100000110L23L23-A62 VanDerWaalsContact O-CA 3.28Å; L23-A62 WeakPolarHBondContact O-CA 3.28Å; L23-A62 WeakPolarHBondContact O-CB 3.37Å
63M83.6Confident81.6Confident6 Ų644.8 Ų44.83%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-111129.1177-68.4-169.1-46.700108.8L23 L52 Y55 Q56 L59 L79L23-M63 HydrophobicContact CD1-CE 4.09Å; L23-M63 PolarHBondContact N-O 3.14Å; L23-M63 PolarHBondContact O-N 3.35Å; L52-M63 HydrophobicContact CD1-CE 3.53Å; L52-M63 HydrophobicContact CG-CE 3.94Å; Y55-M63 HydrophobicContact CD1-CE 4.29Å; Y55-M63 HydrophobicContact CD1-SD 3.63Å; Y55-M63 HydrophobicContact CE1-SD 3.74Å; Q56-M63 HydrophobicContact CB-CE 3.55Å; Q56-M63 HydrophobicContact CB-SD 4.27Å; Q56-M63 HydrophobicContact CG-CE 3.93Å; Q56-M63 HydrophobicContact CG-CG 4.28Å; L59-M63 HydrophobicContact CD2-CG 3.88Å; L59-M63 HydrophobicContact CD2-SD 4.01Å; M63-L79 HydrophobicContact CB-CD2 3.9Å; M63-L79 HydrophobicContact CG-CD2 4.48Å; M63-L79 HydrophobicContact SD-CD1 4.4Å; M63-L79 HydrophobicContact SD-CD2 4.42Å
64V80.9Confident81.6Confident31 Ų3142.9 Ų42.919%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-102.5105.9173.5175.80000108.1L21 L31 Y33 L79 A80L21-V64 CarbonylContact O-C 3.55Å; L21-V64 WeakPolarHBondContact O-CA 3.24Å; L31-V64 HydrophobicContact CD1-CB 4.33Å; L31-V64 HydrophobicContact CD1-CG1 3.72Å; L31-V64 HydrophobicContact CD1-CG2 3.69Å; Y33-V64 HydrophobicContact CD1-CG1 4.03Å; Y33-V64 HydrophobicContact CE1-CG1 4.43Å; Y33-V64 HydrophobicContact CG-CG1 4.19Å; V64-L79 CarbonylContact O-C 3.55Å; V64-L79 WeakPolarHBondContact O-CA 3.33Å; V64-A80 HydrophobicContact CB-CB 3.84Å; V64-A80 HydrophobicContact CG1-CB 3.93Å; V64-A80 PolarHBondContact O-N 3.27Å
65I82.8Confident81.6Confident3 Ų339.3 Ų39.32%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-85.9114.6179.2-69.6166.8000107.9W16 P20 L21 L23 L52 I77 R78 L79W16-I65 HydrophobicContact CE3-CD1 4.27Å; W16-I65 HydrophobicContact CE3-CG2 4.38Å; W16-I65 HydrophobicContact CH2-CD1 4.15Å; W16-I65 HydrophobicContact CZ3-CD1 3.42Å; W16-I65 VanDerWaalsContact CZ3-CD1 3.42Å; P20-I65 CarbonylContact C-O 3.25Å; P20-I65 WeakPolarHBondContact CA-O 3.4Å; L21-I65 HydrophobicContact CB-CB 4.48Å; L21-I65 PolarHBondContact N-O 2.9Å; L21-I65 PolarHBondContact O-N 2.87Å; L23-I65 HydrophobicContact CD1-CD1 3.39Å; L23-I65 HydrophobicContact CD1-CG1 4.49Å; L23-I65 HydrophobicContact CG-CD1 3.97Å; L52-I65 HydrophobicContact CD2-CD1 3.7Å; I65-I77 HydrophobicContact CB-CG2 4.23Å; I65-I77 HydrophobicContact CD1-CG2 4.11Å; I65-I77 HydrophobicContact CG1-CG2 3.72Å; I65-I77 HydrophobicContact CG2-CG2 3.65Å; I65-R78 CarbonylContact C-O 3.49Å; I65-R78 WeakPolarHBondContact CA-O 3.4Å; I65-L79 HydrophobicContact CB-CD2 4.43Å; I65-L79 HydrophobicContact CD1-CD2 4.46Å; I65-L79 HydrophobicContact CG1-CD2 3.43Å; I65-L79 VanDerWaalsContact CG1-CD2 3.43Å
66V76.3Confident81.3Confident19 Ų1939.2 Ų39.212%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-83.5-37.9-177.1-177.60000111.1A35 R78 A80A35-V66 HydrophobicContact CB-CG1 3.97Å; A35-V66 HydrophobicContact CB-CG2 3.72Å; V66-R78 HydrophobicContact CB-CB 4.3Å; V66-R78 HydrophobicContact CB-CG 3.9Å; V66-R78 HydrophobicContact CG1-CG 4.47Å; V66-R78 HydrophobicContact CG2-CG 4.32Å; V66-R78 PolarHBondContact N-O 3.02Å; V66-A80 HydrophobicContact CG2-CB 3.95Å
67A74.1Confident81.3Confident11 Ų1138.4 Ų38.49%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-163158.9179.400000109.9W69 R78A67-W69 HydrophobicContact CB-CE3 4.32Å; A67-W69 HydrophobicContact CB-CZ3 4.14Å; A67-R78 HydrophobicContact CB-CB 4.41Å; A67-R78 PolarHBondContact O-N 2.9Å
68A79.1Confident81.2Confident17 Ų1736.2 Ų36.214%0.1422%0.217CC..EExtended strand (participates in β ladder)trans-140.5148170.300000110.1V13 V76 I77V13-A68 WeakPolarHBondContact O-CB 3.18Å; A68-V76 CarbonylContact C-O 3.57Å; A68-V76 WeakPolarHBondContact CA-O 3.26Å; A68-I77 HydrophobicContact CB-CG1 4.17Å
69W75.5Confident81Confident24 Ų2430.6 Ų30.69%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-156.9174.5179.96493.2000110.9L41 A67 V76 R78L41-W69 HydrophobicContact CD1-CZ2 4.5Å; L41-W69 HydrophobicContact CD2-CH2 3.62Å; L41-W69 HydrophobicContact CD2-CZ2 4.18Å; A67-W69 HydrophobicContact CB-CE3 4.32Å; A67-W69 HydrophobicContact CB-CZ3 4.14Å; W69-V76 HydrophobicContact CD2-CB 4.06Å; W69-V76 HydrophobicContact CD2-CG1 4.24Å; W69-V76 HydrophobicContact CG-CB 4.36Å; W69-V76 HydrophobicContact CH2-CG1 3.79Å; W69-V76 HydrophobicContact CZ2-CB 3.98Å; W69-V76 HydrophobicContact CZ2-CG1 3.29Å; W69-V76 HydrophobicContact CZ3-CG1 4.42Å; W69-V76 PolarHBondContact N-O 2.79Å; W69-V76 PolarHBondContact O-N 2.79Å; W69-R78 HydrophobicContact CH2-CB 4.16Å; W69-R78 HydrophobicContact CZ3-CB 3.88Å
70C76.6Confident80.7Confident41 Ų4130.5 Ų30.528%0.27719%0.194SC..EExtended strand (participates in β ladder)trans-113145.6174.6-164.40000111.3E72 Y74 S314C70-E72 PolarHBondContact SG-O 3.39Å; C70-Y74 CarbonylContact C-O 3.57Å; C70-Y74 VanDerWaalsContact CA-O 3.31Å; C70-Y74 WeakPolarHBondContact CA-O 3.4Å; C70-Y74 PolarHBondContact SG-O 3.5Å; C70-Y74 VanDerWaalsContact SG-O 3.38Å; C70-S314 WeakPolarHBondContact O-CB 3.38Å; C70-S314 PolarHBondContact O-OG 3.44Å
71V71.9Confident80.6Confident1 Ų129.2 Ų29.21%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-130.4102.5175.1-176.10000107.1D73 Y74 V76 Q312V71-D73 PolarHBondContact O-N 3.48Å; V71-Y74 PolarHBondContact N-O 3.3Å; V71-Y74 WeakPolarHBondContact O-CB 3.49Å; V71-Y74 PolarHBondContact O-N 2.89Å; V71-V76 HydrophobicContact CB-CG2 4.48Å; V71-V76 HydrophobicContact CG2-CG2 3.71Å; V71-Q312 HydrophobicContact CG1-CB 4.39Å; V71-Q312 WeakPolarHBondContact CG1-O 3.42Å; V71-Q312 WeakPolarHBondContact CG2-O 3.49Å
72E75.8Confident80.9Confident130 Ų13031.4 Ų31.461%0.60719%0.193SC*.THydrogen-bonded Turntrans54.5-106.7-166.8-54-58.8152.200110.5C70 M309C70-E72 PolarHBondContact SG-O 3.39Å; E72-M309 HydrophobicContact CG-CE 4.1Å
73D82.3Confident81.3Confident74 Ų7430.3 Ų30.340%0.39618%0.178SC..THydrogen-bonded Turntrans-108.78.2177.863.5-17000113.8R45 V71R45-D73 IonicContact CZ-OD1 3.86Å; R45-D73 IonicContact CZ-OD2 3.25Å; R45-D73 IonicContact NE-OD1 3.75Å; R45-D73 PolarHBondContact NE-OD1 3.43Å; R45-D73 IonicContact NE-OD2 3.89Å; R45-D73 PolarHBondContact NE-OD2 2.86Å; R45-D73 IonicContact NH2-OD1 3.47Å; R45-D73 PolarHBondContact NH2-OD1 2.89Å; R45-D73 IonicContact NH2-OD2 3.76Å; R45-D73 PolarHBondContact NH2-OD2 3.01Å; R45-D73 VanDerWaalsContact NH2-OD2 3.07Å; V71-D73 PolarHBondContact O-N 3.48Å
74Y83.5Confident81.6Confident6 Ų633.1 Ų33.12%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-94.6123.2175.4-68.7-82.1000112R45 C70 V71 A306 D307R45-Y74 HydrophobicContact CG-CD1 3.95Å; R45-Y74 HydrophobicContact CG-CE1 3.72Å; R45-Y74 PolarHBondContact NH2-OH 3.07Å; C70-Y74 CarbonylContact C-O 3.57Å; C70-Y74 VanDerWaalsContact CA-O 3.31Å; C70-Y74 WeakPolarHBondContact CA-O 3.4Å; C70-Y74 PolarHBondContact SG-O 3.5Å; C70-Y74 VanDerWaalsContact SG-O 3.38Å; V71-Y74 PolarHBondContact N-O 3.3Å; V71-Y74 WeakPolarHBondContact O-CB 3.49Å; V71-Y74 PolarHBondContact O-N 2.89Å; Y74-A306 HydrophobicContact CD1-CB 4.2Å; Y74-A306 HydrophobicContact CE1-CB 3.42Å; Y74-A306 VanDerWaalsContact CE1-CB 3.42Å; Y74-A306 WeakPolarHBondContact OH-CA 3.28Å; Y74-D307 WeakPolarHBondContact CE2-OD1 3.28Å; Y74-D307 VanDerWaalsContact OH-CG 3.24Å; Y74-D307 PolarHBondContact OH-N 3.42Å; Y74-D307 PolarHBondContact OH-OD2 2.8Å
75Q87.9Confident81.9Confident27 Ų2735.4 Ų35.413%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-81.4133.4165.3-70.674.533.900109.4V13 Y43 G44 L47V13-Q75 HydrophobicContact CG2-CB 3.7Å; V13-Q75 HydrophobicContact CG2-CG 3.99Å; Y43-Q75 WeakPolarHBondContact CA-O 3.34Å; Y43-Q75 WeakPolarHBondContact CB-O 3.43Å; G44-Q75 PolarHBondContact N-O 3.1Å; G44-Q75 VanDerWaalsContact N-O 3.07Å; G44-Q75 PolarHBondContact O-N 2.92Å; G44-Q75 VanDerWaalsContact O-N 3.12Å; G44-Q75 PolarHBondContact O-OE1 3.26Å; L47-Q75 HydrophobicContact CB-CB 3.91Å
76V85.8Confident82.2Confident2 Ų241.8 Ų41.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-126.6132.7-176.9-174.30000109.3L41 A68 W69 V71L41-V76 HydrophobicContact CB-CG1 4.46Å; L41-V76 HydrophobicContact CD1-CG1 4.15Å; L41-V76 HydrophobicContact CD2-CG1 4.23Å; A68-V76 CarbonylContact C-O 3.57Å; A68-V76 WeakPolarHBondContact CA-O 3.26Å; W69-V76 HydrophobicContact CD2-CB 4.06Å; W69-V76 HydrophobicContact CD2-CG1 4.24Å; W69-V76 HydrophobicContact CG-CB 4.36Å; W69-V76 HydrophobicContact CH2-CG1 3.79Å; W69-V76 HydrophobicContact CZ2-CB 3.98Å; W69-V76 HydrophobicContact CZ2-CG1 3.29Å; W69-V76 HydrophobicContact CZ3-CG1 4.42Å; W69-V76 PolarHBondContact N-O 2.79Å; W69-V76 PolarHBondContact O-N 2.79Å; V71-V76 HydrophobicContact CB-CG2 4.48Å; V71-V76 HydrophobicContact CG2-CG2 3.71Å
77I87Confident83Confident0 Ų041 Ų410%024%0.237CC..EExtended strand (participates in β ladder)trans-123.1128.1177.4-57.3-178.2000108.7V13 L41 L42 L47 L52 I65 A68 L79V13-I77 HydrophobicContact CB-CD1 4.03Å; V13-I77 HydrophobicContact CB-CG1 4.35Å; V13-I77 HydrophobicContact CG1-CD1 4.12Å; V13-I77 HydrophobicContact CG2-CD1 3.95Å; V13-I77 HydrophobicContact CG2-CG1 3.96Å; L41-I77 CarbonylContact C-O 3.59Å; L41-I77 WeakPolarHBondContact CA-O 3.35Å; L42-I77 PolarHBondContact N-O 3.07Å; L42-I77 PolarHBondContact O-N 3.47Å; L47-I77 HydrophobicContact CD2-CD1 3.68Å; L47-I77 HydrophobicContact CD2-CG1 3.83Å; L47-I77 HydrophobicContact CG-CD1 4.07Å; L52-I77 HydrophobicContact CD1-CD1 3.76Å; L52-I77 HydrophobicContact CD2-CD1 3.67Å; L52-I77 HydrophobicContact CG-CD1 4.3Å; I65-I77 HydrophobicContact CB-CG2 4.23Å; I65-I77 HydrophobicContact CD1-CG2 4.11Å; I65-I77 HydrophobicContact CG1-CG2 3.72Å; I65-I77 HydrophobicContact CG2-CG2 3.65Å; A68-I77 HydrophobicContact CB-CG1 4.17Å; I77-L79 HydrophobicContact CG2-CD2 4.28Å; I77-L79 HydrophobicContact CG2-CG 4.15Å
78R86Confident83.7Confident48 Ų4842 Ų4218%0.18124%0.242CC..EExtended strand (participates in β ladder)trans-88.9122.9168.3179.7178.6176.2-173.51.5109.7G36 S38 L41 I65 V66 A67 W69 L101G36-R78 PolarHBondContact O-NH2 3.4Å; S38-R78 PolarHBondContact O-NH2 3.19Å; L41-R78 HydrophobicContact CD2-CB 4.01Å; L41-R78 HydrophobicContact CD2-CG 4.37Å; I65-R78 CarbonylContact C-O 3.49Å; I65-R78 WeakPolarHBondContact CA-O 3.4Å; V66-R78 HydrophobicContact CB-CB 4.3Å; V66-R78 HydrophobicContact CB-CG 3.9Å; V66-R78 HydrophobicContact CG1-CG 4.47Å; V66-R78 HydrophobicContact CG2-CG 4.32Å; V66-R78 PolarHBondContact N-O 3.02Å; A67-R78 HydrophobicContact CB-CB 4.41Å; A67-R78 PolarHBondContact O-N 2.9Å; W69-R78 HydrophobicContact CH2-CB 4.16Å; W69-R78 HydrophobicContact CZ3-CB 3.88Å; R78-L101 HydrophobicContact CG-CD1 3.6Å
79L85.8Confident84.2Confident2 Ų248.8 Ų48.81%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-108.8143.9177.3-69.7164.4000110.6G39 W40 L42 M63 V64 I65 I77G39-L79 CarbonylContact C-O 3.54Å; G39-L79 WeakPolarHBondContact CA-O 3.27Å; W40-L79 HydrophobicContact CD2-CB 3.97Å; W40-L79 HydrophobicContact CD2-CD1 4.22Å; W40-L79 HydrophobicContact CE3-CD1 4.02Å; W40-L79 HydrophobicContact CG-CB 4.38Å; W40-L79 HydrophobicContact CH2-CB 4.49Å; W40-L79 HydrophobicContact CH2-CD1 3.2Å; W40-L79 HydrophobicContact CH2-CG 4.43Å; W40-L79 HydrophobicContact CZ2-CB 3.9Å; W40-L79 HydrophobicContact CZ2-CD1 3.39Å; W40-L79 HydrophobicContact CZ2-CG 4.23Å; W40-L79 HydrophobicContact CZ3-CD1 3.53Å; W40-L79 PolarHBondContact N-O 3.43Å; W40-L79 PolarHBondContact O-N 3.35Å; L42-L79 HydrophobicContact CB-CD1 3.98Å; L42-L79 HydrophobicContact CD2-CD1 4.4Å; M63-L79 HydrophobicContact CB-CD2 3.9Å; M63-L79 HydrophobicContact CG-CD2 4.48Å; M63-L79 HydrophobicContact SD-CD1 4.4Å; M63-L79 HydrophobicContact SD-CD2 4.42Å; V64-L79 CarbonylContact O-C 3.55Å; V64-L79 WeakPolarHBondContact O-CA 3.33Å; I65-L79 HydrophobicContact CB-CD2 4.43Å; I65-L79 HydrophobicContact CD1-CD2 4.46Å; I65-L79 HydrophobicContact CG1-CD2 3.43Å; I65-L79 VanDerWaalsContact CG1-CD2 3.43Å; I77-L79 HydrophobicContact CG2-CD2 4.28Å; I77-L79 HydrophobicContact CG2-CG 4.15Å
80A82.7Confident85.1Confident16 Ų1648.6 Ų48.613%0.13227%0.265CS..  trans-76.8165173.700000112.4Y33 W40 V64 V66Y33-A80 HydrophobicContact CD1-CB 4.14Å; Y33-A80 HydrophobicContact CE1-CB 3.27Å; W40-A80 PolarHBondContact NE1-O 3.4Å; V64-A80 HydrophobicContact CB-CB 3.84Å; V64-A80 HydrophobicContact CG1-CB 3.93Å; V64-A80 PolarHBondContact O-N 3.27Å; V66-A80 HydrophobicContact CG2-CB 3.95Å
81G80Confident85.8Confident36 Ų3646.7 Ų46.737%0.37125%0.252SS..SBendtrans82.1-168.4179.200000113.6G39G39-G81 CarbonylContact C-O 3.55Å; G39-G81 WeakPolarHBondContact CA-O 3.13Å; G39-G81 PolarHBondContact N-O 2.85Å
82S83.4Confident86.7Confident99 Ų9947.4 Ų47.469%0.69226%0.255SS*.PPolyproline II helixtrans-94.9136.9-179.854.40000111.6T84S82-T84 PolarHBondContact O-N 3.29Å
83L86.9Confident87.4Confident44 Ų4446.8 Ų46.823%0.2325%0.252CS..PPolyproline II helixtrans-62.8121.7170.6-17963.2000110.2W40 A87 T88 V98 P100W40-L83 HydrophobicContact CB-CB 3.79Å; W40-L83 HydrophobicContact CB-CD1 4.43Å; W40-L83 HydrophobicContact CD2-CB 4.31Å; W40-L83 HydrophobicContact CD2-CD1 3.71Å; W40-L83 HydrophobicContact CE3-CD1 3.47Å; W40-L83 VanDerWaalsContact CE3-CD1 3.47Å; W40-L83 HydrophobicContact CG-CB 3.87Å; W40-L83 HydrophobicContact CG-CD1 4.15Å; W40-L83 HydrophobicContact CH2-CD1 4.5Å; W40-L83 HydrophobicContact CZ3-CD1 3.89Å; L83-A87 HydrophobicContact CD1-CB 4.03Å; L83-T88 WeakPolarHBondContact CG-OG1 3.49Å; L83-V98 HydrophobicContact CD1-CB 3.99Å; L83-V98 HydrophobicContact CD1-CG1 4.25Å; L83-V98 HydrophobicContact CD1-CG2 4.01Å; L83-V98 HydrophobicContact CD2-CB 4.15Å; L83-V98 HydrophobicContact CD2-CG2 3.85Å; L83-P100 HydrophobicContact CD2-CB 4.45Å
84T88.9Confident87.8Confident65 Ų6544.8 Ų44.840%0.39925%0.245SC..PPolyproline II helixtrans-99153.2178.467.90000111.3S82 R86 A87 T88S82-T84 PolarHBondContact O-N 3.29Å; T84-R86 PolarHBondContact O-N 3.49Å; T84-R86 VanDerWaalsContact O-N 3.13Å; T84-A87 WeakPolarHBondContact O-CB 3.36Å; T84-A87 PolarHBondContact O-N 3.04Å; T84-A87 WeakPolarHBondContact OG1-CB 3.34Å; T84-A87 PolarHBondContact OG1-N 3.1Å; T84-A87 VanDerWaalsContact OG1-N 3.13Å; T84-T88 PolarHBondContact O-N 2.88Å; T84-T88 PolarHBondContact O-OG1 3.14Å
85A87.2Confident88.2Confident79 Ų7950.9 Ų50.965%0.65327%0.274SS*.Hα-helixtrans-57.1-30.3175.700000113.2R89A85-R89 WeakPolarHBondContact O-CB 3.46Å; A85-R89 PolarHBondContact O-N 2.99Å; A85-R89 VanDerWaalsContact O-N 3.1Å
86R90.8Very high88.4Confident137 Ų13749.7 Ų49.752%0.51727%0.269SS..Hα-helixtrans-68.5-47173-178.5178.1175.9179.2-3.3111.3K58 L59 T84 T88 R89 L90K58-R86 PolarHBondContact O-NH2 3.28Å; L59-R86 VanDerWaalsContact O-CZ 3.24Å; L59-R86 PolarHBondContact O-NH2 3.49Å; T84-R86 PolarHBondContact O-N 3.49Å; T84-R86 VanDerWaalsContact O-N 3.13Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.48Å; R86-R89 PolarHBondContact O-N 2.97Å; R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.37Å; R86-L90 WeakPolarHBondContact O-CB 3.35Å; R86-L90 WeakPolarHBondContact O-CG 3.34Å; R86-L90 PolarHBondContact O-N 3.26Å
87A91.4Very high88.6Confident2 Ų249.6 Ų49.62%0.01727%0.268CS..Hα-helixtrans-59.3-44.5177.700000111.7W40 Y55 L59 L83 T84 A91W40-A87 HydrophobicContact CH2-CB 4.04Å; W40-A87 HydrophobicContact CZ2-CB 4.31Å; Y55-A87 WeakPolarHBondContact OH-CA 3.49Å; Y55-A87 WeakPolarHBondContact OH-CB 3.33Å; Y55-A87 PolarHBondContact OH-O 3.36Å; L59-A87 HydrophobicContact CD1-CB 3.96Å; L83-A87 HydrophobicContact CD1-CB 4.03Å; T84-A87 WeakPolarHBondContact O-CB 3.36Å; T84-A87 PolarHBondContact O-N 3.04Å; T84-A87 WeakPolarHBondContact OG1-CB 3.34Å; T84-A87 PolarHBondContact OG1-N 3.1Å; T84-A87 VanDerWaalsContact OG1-N 3.13Å; A87-A91 WeakPolarHBondContact O-CB 3.24Å; A87-A91 PolarHBondContact O-N 2.93Å
88T89.9Confident88.8Confident33 Ų3349.8 Ų49.820%0.20227%0.269CS..Hα-helixtrans-59.2-48.9174.5-55.80000112L83 T84 R86 L90 A91 H92 V98L83-T88 WeakPolarHBondContact CG-OG1 3.49Å; T84-T88 PolarHBondContact O-N 2.88Å; T84-T88 PolarHBondContact O-OG1 3.14Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.48Å; T88-L90 PolarHBondContact O-N 2.97Å; T88-A91 PolarHBondContact O-N 3.33Å; T88-H92 WeakPolarHBondContact CG2-NE2 3.29Å; T88-H92 PolarHBondContact O-CD2 3.28Å; T88-H92 PolarHBondContact O-N 3.37Å; T88-H92 VanDerWaalsContact O-N 3.1Å; T88-V98 HydrophobicContact CG2-CG2 3.79Å
89R90.1Very high88.9Confident158 Ų15847.5 Ų47.560%0.59626%0.261SS*.Hα-helixtrans-60.5-48.7-179.9-169-169.6-50.2160.94.9112A85 R86 A91 H92 E93A85-R89 WeakPolarHBondContact O-CB 3.46Å; A85-R89 PolarHBondContact O-N 2.99Å; A85-R89 VanDerWaalsContact O-N 3.1Å; R86-R89 PolarHBondContact O-N 2.97Å; R89-A91 VanDerWaalsContact C-N 3.28Å; R89-A91 PolarHBondContact O-N 3.17Å; R89-H92 PolarHBondContact O-N 3.44Å; R89-E93 WeakPolarHBondContact O-CG 3.34Å; R89-E93 PolarHBondContact O-N 2.9Å
90L93.3Very high88.8Confident21 Ų2148.6 Ų48.611%0.1127%0.268CS..Hα-helixtrans-63.2-34.7179.5-71.1175.8000112.3Y55 K58 L59 R86 T88 E93 A94Y55-L90 HydrophobicContact CD2-CB 4.24Å; Y55-L90 HydrophobicContact CE2-CB 3.72Å; K58-L90 HydrophobicContact CB-CD1 4.13Å; K58-L90 HydrophobicContact CB-CD2 4.01Å; K58-L90 HydrophobicContact CD-CD2 4.38Å; K58-L90 WeakPolarHBondContact O-CD1 3.35Å; L59-L90 HydrophobicContact CB-CD1 4.22Å; L59-L90 HydrophobicContact CD1-CD1 4.13Å; R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.37Å; R86-L90 WeakPolarHBondContact O-CB 3.35Å; R86-L90 WeakPolarHBondContact O-CG 3.34Å; R86-L90 PolarHBondContact O-N 3.26Å; T88-L90 PolarHBondContact O-N 2.97Å; L90-E93 PolarHBondContact O-N 3.46Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.36Å
91A92.1Very high88.5Confident0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-67.3-46.5179.200000109.5L42 Y55 A87 T88 R89 E93 A94 Q95 L96 V98L42-A91 HydrophobicContact CD1-CB 3.68Å; Y55-A91 HydrophobicContact CE2-CB 3.88Å; A87-A91 WeakPolarHBondContact O-CB 3.24Å; A87-A91 PolarHBondContact O-N 2.93Å; T88-A91 PolarHBondContact O-N 3.33Å; R89-A91 VanDerWaalsContact C-N 3.28Å; R89-A91 PolarHBondContact O-N 3.17Å; A91-E93 PolarHBondContact O-N 2.9Å; A91-A94 CarbonylContact O-C 3.58Å; A91-A94 WeakPolarHBondContact O-CA 3.17Å; A91-A94 WeakPolarHBondContact O-CB 3.45Å; A91-A94 PolarHBondContact O-N 3.16Å; A91-Q95 PolarHBondContact O-N 3.31Å; A91-L96 CarbonylContact C-O 3.54Å; A91-L96 VanDerWaalsContact C-O 3.25Å; A91-L96 HydrophobicContact CB-CB 4.29Å; A91-L96 WeakPolarHBondContact O-CA 3.38Å; A91-L96 WeakPolarHBondContact O-CB 3.46Å; A91-L96 PolarHBondContact O-N 2.99Å; A91-L96 VanDerWaalsContact O-O 3.12Å; A91-V98 HydrophobicContact CB-CG1 3.46Å; A91-V98 VanDerWaalsContact CB-CG1 3.46Å
92H90.6Very high87.8Confident16 Ų1649.6 Ų49.67%0.07427%0.274CS..Hα-helixtrans-65-36.8176.8-64.9-41.5000113.3T88 R89 A94 Q95 L96 D97 R304 H305T88-H92 WeakPolarHBondContact CG2-NE2 3.29Å; T88-H92 PolarHBondContact O-CD2 3.28Å; T88-H92 PolarHBondContact O-N 3.37Å; T88-H92 VanDerWaalsContact O-N 3.1Å; R89-H92 PolarHBondContact O-N 3.44Å; H92-A94 PolarHBondContact O-N 2.99Å; H92-Q95 PolarHBondContact O-N 3.05Å; H92-Q95 VanDerWaalsContact O-N 3.15Å; H92-L96 WeakPolarHBondContact CA-O 3.13Å; H92-L96 PolarHBondContact N-O 3.4Å; H92-L96 PolarHBondContact ND1-O 3.11Å; H92-D97 IonicContact CE1-OD1 2.69Å; H92-D97 PolarHBondContact CE1-OD1 3.43Å; H92-D97 IonicContact ND1-OD1 2.83Å; H92-R304 PolarHBondContact NE2-NE 2.82Å; H92-H305 PolarHBondContact O-NE2 3.44Å
93E90.7Very high87Confident118 Ų11854 Ų5455%0.55128%0.28SS*.Hα-helixtrans-62.2-30.7171.1-74.9172-165.300112.2R89 L90 A91 Q95R89-E93 WeakPolarHBondContact O-CG 3.34Å; R89-E93 PolarHBondContact O-N 2.9Å; L90-E93 PolarHBondContact O-N 3.46Å; A91-E93 PolarHBondContact O-N 2.9Å; E93-Q95 VanDerWaalsContact C-N 3.28Å
94A90.8Very high86.5Confident31 Ų3152.8 Ų52.826%0.25627%0.274SS..THydrogen-bonded Turntrans-86.89.4176.200000113.7R51 L90 A91 H92 L96R51-A94 PolarHBondContact NH2-O 3.36Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.36Å; A91-A94 CarbonylContact O-C 3.58Å; A91-A94 WeakPolarHBondContact O-CA 3.17Å; A91-A94 WeakPolarHBondContact O-CB 3.45Å; A91-A94 PolarHBondContact O-N 3.16Å; H92-A94 PolarHBondContact O-N 2.99Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 HydrophobicContact CB-CD1 4.15Å; A94-L96 HydrophobicContact CB-CG 4.27Å; A94-L96 PolarHBondContact O-N 3.03Å
95Q91.4Very high86.2Confident135 Ų13549.8 Ų49.863%0.63126%0.256SS*.THydrogen-bonded Turntrans56.339.5-174.1-59.3-179-39.800113.2A91 H92 E93A91-Q95 PolarHBondContact O-N 3.31Å; H92-Q95 PolarHBondContact O-N 3.05Å; H92-Q95 VanDerWaalsContact O-N 3.15Å; E93-Q95 VanDerWaalsContact C-N 3.28Å
96L91.5Very high85.9Confident1 Ų149.7 Ų49.71%0.00524%0.242CC..  trans-118.5157.6173.6-58.4171.8000109.4L42 L47 A91 H92 A94 H305L42-L96 HydrophobicContact CD1-CB 3.88Å; L42-L96 HydrophobicContact CD1-CD1 3.9Å; L42-L96 HydrophobicContact CD2-CD1 4.21Å; L42-L96 HydrophobicContact CG-CD1 4.19Å; L47-L96 HydrophobicContact CB-CD2 4.17Å; L47-L96 HydrophobicContact CD1-CD1 3.83Å; L47-L96 HydrophobicContact CD1-CD2 4.22Å; A91-L96 CarbonylContact C-O 3.54Å; A91-L96 VanDerWaalsContact C-O 3.25Å; A91-L96 HydrophobicContact CB-CB 4.29Å; A91-L96 WeakPolarHBondContact O-CA 3.38Å; A91-L96 WeakPolarHBondContact O-CB 3.46Å; A91-L96 PolarHBondContact O-N 2.99Å; A91-L96 VanDerWaalsContact O-O 3.12Å; H92-L96 WeakPolarHBondContact CA-O 3.13Å; H92-L96 PolarHBondContact N-O 3.4Å; H92-L96 PolarHBondContact ND1-O 3.11Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 HydrophobicContact CB-CD1 4.15Å; A94-L96 HydrophobicContact CB-CG 4.27Å; A94-L96 PolarHBondContact O-N 3.03Å; L96-H305 PolarHBondContact O-CD2 3.05Å
97D91.2Very high85.4Confident1 Ų143.3 Ų43.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-111.3156.8174.1-75.3-52.1000111.1Y43 H92 R304 H305 A306Y43-D97 HydrophobicContact CD1-CB 4.33Å; Y43-D97 WeakPolarHBondContact CD1-O 3.49Å; Y43-D97 HydrophobicContact CD2-CB 4.13Å; Y43-D97 HydrophobicContact CE1-CB 3.76Å; Y43-D97 HydrophobicContact CE2-CB 3.54Å; Y43-D97 HydrophobicContact CG-CB 4.49Å; Y43-D97 PolarHBondContact N-O 3.48Å; Y43-D97 PolarHBondContact O-N 2.91Å; Y43-D97 WeakPolarHBondContact OH-CB 3.34Å; H92-D97 IonicContact CE1-OD1 2.69Å; H92-D97 PolarHBondContact CE1-OD1 3.43Å; H92-D97 IonicContact ND1-OD1 2.83Å; D97-R304 PolarHBondContact OD1-N 3.42Å; D97-R304 PolarHBondContact OD2-N 2.98Å; D97-H305 IonicContact OD1-CD2 2.82Å; D97-H305 WeakPolarHBondContact OD2-CA 3.18Å; D97-H305 PolarHBondContact OD2-N 3.17Å; D97-A306 PolarHBondContact OD2-N 2.87Å
98V91Very high84.6Confident3 Ų351.7 Ų51.72%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-133.4150.7179.9-67.30000111.2W40 L41 L42 L83 T88 A91W40-V98 HydrophobicContact CE3-CB 4.39Å; W40-V98 HydrophobicContact CE3-CG1 4.02Å; W40-V98 HydrophobicContact CZ3-CG1 3.76Å; L41-V98 CarbonylContact O-C 3.56Å; L41-V98 WeakPolarHBondContact O-CA 3.48Å; L41-V98 WeakPolarHBondContact O-CB 3.37Å; L42-V98 HydrophobicContact CD1-CG1 3.67Å; L83-V98 HydrophobicContact CD1-CB 3.99Å; L83-V98 HydrophobicContact CD1-CG1 4.25Å; L83-V98 HydrophobicContact CD1-CG2 4.01Å; L83-V98 HydrophobicContact CD2-CB 4.15Å; L83-V98 HydrophobicContact CD2-CG2 3.85Å; T88-V98 HydrophobicContact CG2-CG2 3.79Å; A91-V98 HydrophobicContact CB-CG1 3.46Å; A91-V98 VanDerWaalsContact CB-CG1 3.46Å
99A87.6Confident84.3Confident1 Ų153 Ų531%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-144.1126.4173.900000110.9W40 L41 Y43 V301W40-A99 CarbonylContact C-O 3.59Å; W40-A99 VanDerWaalsContact CA-O 3.29Å; W40-A99 WeakPolarHBondContact CA-O 3.49Å; L41-A99 HydrophobicContact CB-CB 4.42Å; L41-A99 PolarHBondContact N-O 2.88Å; L41-A99 PolarHBondContact O-N 2.89Å; L41-A99 VanDerWaalsContact O-N 3.08Å; Y43-A99 HydrophobicContact CE1-CB 4.37Å; A99-V301 HydrophobicContact CB-CG1 4.27Å
100P84.5Confident84.3Confident24 Ų2449.6 Ų49.616%0.15626%0.255CS..EExtended strand (participates in β ladder)trans-62.5142.617427.1-33.3000111.3L83 I104 E300 V301 N320L83-P100 HydrophobicContact CD2-CB 4.45Å; P100-I104 VanDerWaalsContact O-CD1 3.31Å; P100-I104 WeakPolarHBondContact O-CD1 3.28Å; P100-E300 HydrophobicContact CG-CG 3.94Å; P100-V301 HydrophobicContact CG-CG2 4.44Å; P100-N320 PolarHBondContact O-ND2 3.37Å
101L75.1Confident84.3Confident25 Ų2548.6 Ų48.613%0.13125%0.25CC..SBendtrans-81.6115.1167.4-83.7153000108.5G39 R78 N320G39-L101 VanDerWaalsContact O-CB 3.3Å; G39-L101 WeakPolarHBondContact O-CB 3.39Å; G39-L101 PolarHBondContact O-N 3.22Å; R78-L101 HydrophobicContact CG-CD1 3.6Å; L101-N320 HydrophobicContact CD2-CB 3.36Å; L101-N320 WeakPolarHBondContact CD2-OD1 3.34Å; L101-N320 HydrophobicContact CG-CB 4.22Å; L101-N320 VanDerWaalsContact CG-CG 3.43Å; L101-N320 WeakPolarHBondContact CG-OD1 3.37Å
102G66.5Low84.6Confident48 Ų4848.6 Ų48.650%0.49525%0.25SC..SBendtrans-159-140.5-172.700000113.5I104G102-I104 PolarHBondContact O-N 3.37Å
103K65.9Low84.9Confident192 Ų19248 Ų4884%0.83525%0.247SC*.SBendtrans-72.176.4178.8-69.9-178.5-179.3176.30110.9
104I76Confident85.2Confident18 Ų1842.4 Ų42.49%0.09222%0.221CC..  trans-111.8132-172.9-63.9176.8000110.1P100 G102 L285 W319 N320P100-I104 VanDerWaalsContact O-CD1 3.31Å; P100-I104 WeakPolarHBondContact O-CD1 3.28Å; G102-I104 PolarHBondContact O-N 3.37Å; I104-L285 HydrophobicContact CG2-CD2 4.26Å; I104-W319 VanDerWaalsContact CG2-C 3.43Å; I104-W319 HydrophobicContact CG2-CB 3.14Å; I104-W319 HydrophobicContact CG2-CG 4.41Å; I104-W319 WeakPolarHBondContact CG2-O 3.22Å; I104-N320 HydrophobicContact CB-CB 4.27Å; I104-N320 HydrophobicContact CD1-CB 3.3Å; I104-N320 WeakPolarHBondContact CD1-ND2 3.2Å; I104-N320 HydrophobicContact CG1-CB 4.33Å; I104-N320 HydrophobicContact CG2-CB 4.19Å
105P82.6Confident85.5Confident3 Ų341 Ų412%0.01921%0.209CC..  trans-53.7150.1177.5-31.137.8000113.9W198 V268 L285P105-W198 HydrophobicContact CB-CH2 3.57Å; P105-W198 HydrophobicContact CB-CZ2 3.85Å; P105-W198 HydrophobicContact CG-CH2 4.31Å; P105-V268 HydrophobicContact CB-CG2 4.42Å; P105-V268 HydrophobicContact CG-CG2 3.84Å; P105-L285 HydrophobicContact CG-CB 4.13Å
106H81.1Confident85.7Confident77 Ų7735.1 Ų35.136%0.35618%0.182SC..  trans-101.5118.7-179.7-62.5-42.9000109.2R108 T109 Q266 T321H106-R108 PolarHBondContact O-N 2.85Å; H106-T109 PolarHBondContact O-N 2.81Å; H106-T109 PolarHBondContact O-OG1 2.87Å; H106-Q266 PolarHBondContact O-OE1 2.83Å; H106-T321 VanDerWaalsContact ND1-CG2 3.31Å; H106-T321 WeakPolarHBondContact ND1-CG2 3.06Å
107L79.8Confident86Confident3 Ų335 Ų352%0.01618%0.182CC..THydrogen-bonded Turntrans-77-2.9-177.9-92167.1000115.1T109 L193 L196 W198 C316 H317 A318L107-T109 VanDerWaalsContact C-N 3.31Å; L107-L193 HydrophobicContact CD1-CD2 3.9Å; L107-L193 HydrophobicContact CD2-CD2 3.38Å; L107-L193 HydrophobicContact CG-CD2 4.37Å; L107-L196 HydrophobicContact CB-CD1 4.28Å; L107-L196 HydrophobicContact CD2-CB 4.28Å; L107-L196 HydrophobicContact CD2-CD1 3.73Å; L107-L196 HydrophobicContact CG-CD1 4.46Å; L107-W198 VanDerWaalsContact CD2-CD1 3.47Å; L107-W198 HydrophobicContact CD2-CD2 3.55Å; L107-W198 HydrophobicContact CD2-CE3 4.33Å; L107-W198 HydrophobicContact CD2-CG 3.7Å; L107-W198 HydrophobicContact CD2-CZ2 3.78Å; L107-W198 HydrophobicContact CG-CZ2 3.87Å; L107-C316 WeakPolarHBondContact CB-O 3.39Å; L107-H317 HydrophobicContact CB-CB 4.17Å; L107-H317 HydrophobicContact CD1-CB 3.88Å; L107-H317 WeakPolarHBondContact CD1-O 3.25Å; L107-H317 HydrophobicContact CG-CB 4.45Å; L107-A318 HydrophobicContact CB-CB 3.93Å; L107-A318 VanDerWaalsContact CB-N 3.26Å; L107-A318 VanDerWaalsContact CD1-CA 3.45Å; L107-A318 HydrophobicContact CG-CB 4.44Å
108R75.3Confident86Confident178 Ų17835.4 Ų35.467%0.67218%0.184SC*.THydrogen-bonded Turntrans-80.7-10.9168-76.1173-166.4-164.22.4113.5H106 C316H106-R108 PolarHBondContact O-N 2.85Å; R108-C316 HydrophobicContact CG-CB 3.96Å; R108-C316 VanDerWaalsContact CG-SG 3.53Å; R108-C316 VanDerWaalsContact NE-CB 3.34Å; R108-C316 PolarHBondContact NE-SG 3.24Å; R108-C316 VanDerWaalsContact NE-SG 3.37Å
109T83.3Confident86.1Confident59 Ų5936.8 Ų36.836%0.36219%0.193SC..SBendtrans-114.2150.7176.648.40000109.4H106 L107 G111 W198 Q266H106-T109 PolarHBondContact O-N 2.81Å; H106-T109 PolarHBondContact O-OG1 2.87Å; L107-T109 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 3.2Å; T109-W198 PolarHBondContact O-NE1 3.42Å; T109-Q266 PolarHBondContact OG1-OE1 2.88Å
110P89.7Confident86.3Confident87 Ų8736.7 Ų36.757%0.56519%0.193SC*.  trans-52.2134.9173.4-25.734.6000111.3
111G94.7Very high86.8Confident0 Ų035.6 Ų35.60%019%0.186CC..  trans-147.8170179.900000111.4T109 W198 K199 Q266T109-G111 PolarHBondContact O-N 3.2Å; G111-W198 VanDerWaalsContact CA-CE2 3.44Å; G111-W198 CarbonylContact O-C 3.57Å; G111-W198 VanDerWaalsContact O-CA 3.31Å; G111-W198 WeakPolarHBondContact O-CA 3.25Å; G111-K199 PolarHBondContact O-N 3.15Å; G111-Q266 VanDerWaalsContact CA-O 3.28Å; G111-Q266 WeakPolarHBondContact CA-O 3.37Å
112L97.4Very high87.8Confident0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-127.1124-174.3170.766.6000109.7V114 K199 L256 A257 Y260 I262 Q266 T267 V268L112-V114 HydrophobicContact CD1-CG2 4.14Å; L112-V114 HydrophobicContact CD2-CG2 4.01Å; L112-V114 HydrophobicContact CG-CG2 3.89Å; L112-K199 CarbonylContact C-O 3.59Å; L112-K199 WeakPolarHBondContact CA-O 3.49Å; L112-K199 HydrophobicContact CD1-CB 3.8Å; L112-L256 HydrophobicContact CD2-CB 3.72Å; L112-A257 HydrophobicContact CD2-CB 4.06Å; L112-Y260 HydrophobicContact CD1-CD2 4.44Å; L112-I262 HydrophobicContact CB-CD1 3.77Å; L112-I262 HydrophobicContact CB-CG2 4.23Å; L112-Q266 PolarHBondContact N-O 3.25Å; L112-Q266 VanDerWaalsContact N-O 3.15Å; L112-T267 HydrophobicContact CB-CG2 4.24Å; L112-T267 HydrophobicContact CD2-CG2 4.41Å; L112-T267 CarbonylContact O-C 3.54Å; L112-T267 VanDerWaalsContact O-CA 3.26Å; L112-T267 WeakPolarHBondContact O-CA 3.34Å; L112-V268 PolarHBondContact O-N 3.15Å
113L96.9Very high89Confident4 Ų437.1 Ų37.12%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-103125167.7173.963.4000109.6M115 L189 L193 W198 K199 V200 A201 V268 I270L113-M115 HydrophobicContact CD2-CE 3.42Å; L113-M115 VanDerWaalsContact CD2-CE 3.42Å; L113-M115 HydrophobicContact CG-CE 3.93Å; L113-L189 HydrophobicContact CD2-CD2 3.92Å; L113-L189 HydrophobicContact CD2-CG 4.34Å; L113-L193 HydrophobicContact CB-CD1 4.03Å; L113-L193 HydrophobicContact CD2-CD1 3.37Å; L113-L193 HydrophobicContact CG-CD1 4.34Å; L113-W198 HydrophobicContact CB-CE3 4.4Å; L113-K199 PolarHBondContact N-O 3.14Å; L113-V200 HydrophobicContact CB-CG1 4.36Å; L113-V200 HydrophobicContact CB-CG2 4.47Å; L113-V200 HydrophobicContact CD2-CG1 4.13Å; L113-V200 HydrophobicContact CG-CG1 4.3Å; L113-V200 CarbonylContact O-C 3.58Å; L113-V200 WeakPolarHBondContact O-CA 3.45Å; L113-A201 PolarHBondContact O-N 3.17Å; L113-V268 WeakPolarHBondContact CA-O 3.49Å; L113-V268 HydrophobicContact CD1-CB 3.7Å; L113-V268 HydrophobicContact CD1-CG1 3.57Å; L113-I270 HydrophobicContact CD1-CD1 3.67Å; L113-I270 HydrophobicContact CD1-CG1 3.77Å; L113-I270 HydrophobicContact CD2-CD1 4.36Å
114V97.7Very high90.2Very high0 Ų029.6 Ų29.60%015%0.148CC..EExtended strand (participates in β ladder)trans-116.1129.3169.1-170.10000108.8L112 A201 A203 L253 V268 A269 I270 M279L112-V114 HydrophobicContact CD1-CG2 4.14Å; L112-V114 HydrophobicContact CD2-CG2 4.01Å; L112-V114 HydrophobicContact CG-CG2 3.89Å; V114-A201 WeakPolarHBondContact CA-O 3.32Å; V114-A201 HydrophobicContact CG2-CB 4.47Å; V114-A203 HydrophobicContact CG1-CB 3.75Å; V114-L253 HydrophobicContact CB-CD1 4.24Å; V114-L253 HydrophobicContact CG2-CB 4.12Å; V114-L253 HydrophobicContact CG2-CD1 4.14Å; V114-L253 HydrophobicContact CG2-CG 4.04Å; V114-V268 PolarHBondContact N-O 3.37Å; V114-A269 CarbonylContact O-C 3.52Å; V114-A269 VanDerWaalsContact O-CA 3.23Å; V114-A269 WeakPolarHBondContact O-CA 3.37Å; V114-I270 PolarHBondContact O-N 2.86Å; V114-M279 HydrophobicContact CB-SD 4.22Å; V114-M279 HydrophobicContact CG1-SD 3.66Å
115M96.5Very high90.9Very high1 Ų131.9 Ų31.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-127.8154.7179.365.5-175.667.400112.2L113 T120 A121 L186 L189 V200 A201 I202 A203 I270L113-M115 HydrophobicContact CD2-CE 3.42Å; L113-M115 VanDerWaalsContact CD2-CE 3.42Å; L113-M115 HydrophobicContact CG-CE 3.93Å; M115-T120 HydrophobicContact CB-CG2 4.21Å; M115-A121 HydrophobicContact SD-CB 3.92Å; M115-L186 HydrophobicContact CE-CD1 3.99Å; M115-L186 HydrophobicContact SD-CD1 3.6Å; M115-L186 VanDerWaalsContact SD-CD1 3.6Å; M115-L189 HydrophobicContact CE-CD2 4.43Å; M115-V200 HydrophobicContact CE-CG1 3.9Å; M115-A201 PolarHBondContact N-O 2.91Å; M115-I202 HydrophobicContact CG-CG1 3.93Å; M115-I202 VanDerWaalsContact O-CA 3.32Å; M115-I202 WeakPolarHBondContact O-CA 3.24Å; M115-A203 PolarHBondContact O-N 3.41Å; M115-I270 CarbonylContact C-O 3.51Å; M115-I270 WeakPolarHBondContact CA-O 3.38Å; M115-I270 HydrophobicContact CB-CB 4.08Å
116D96.6Very high91.5Very high12 Ų1231.8 Ų31.86%0.06416%0.157CC..  trans-68.4161162-160.312.3000111T120 A121 S204 K249 I270D116-T120 HydrophobicContact CB-CG2 4.45Å; D116-T120 WeakPolarHBondContact O-CB 3.29Å; D116-T120 WeakPolarHBondContact O-CG2 3.16Å; D116-A121 PolarHBondContact O-N 3.22Å; D116-S204 VanDerWaalsContact OD1-CA 3.27Å; D116-S204 WeakPolarHBondContact OD1-CA 3.39Å; D116-S204 WeakPolarHBondContact OD1-CB 3.26Å; D116-S204 PolarHBondContact OD1-OG 3.24Å; D116-K249 IonicContact OD1-NZ 2.88Å; D116-K249 PolarHBondContact OD1-NZ 3.47Å; D116-K249 IonicContact OD2-NZ 3.52Å; D116-K249 PolarHBondContact OD2-NZ 3.13Å; D116-I270 PolarHBondContact N-O 3.43Å
117M96.1Very high92Very high0 Ų028.5 Ų28.50%014%0.142CC..SBendtrans-93.8-72.5176.7-172.9-179.569.100111.4T120 A121 I122 I202 S204 F210 A211 L214M117-T120 PolarHBondContact O-N 3.08Å; M117-A121 PolarHBondContact O-N 3.21Å; M117-I122 HydrophobicContact CE-CD1 4.47Å; M117-I122 HydrophobicContact CG-CD1 4Å; M117-I122 HydrophobicContact CG-CG1 4.06Å; M117-I122 VanDerWaalsContact O-CG1 3.3Å; M117-I122 WeakPolarHBondContact O-CG1 3.43Å; M117-I122 PolarHBondContact O-N 3.25Å; M117-I202 HydrophobicContact CB-CG2 3.8Å; M117-S204 WeakPolarHBondContact CB-OG 3.46Å; M117-F210 HydrophobicContact CE-CB 3.99Å; M117-F210 HydrophobicContact SD-CB 3.86Å; M117-A211 HydrophobicContact SD-CB 4.01Å; M117-L214 HydrophobicContact CG-CD1 3.62Å; M117-L214 HydrophobicContact SD-CD1 3.86Å
118D92.5Very high92.6Very high9 Ų931.4 Ų31.45%0.04816%0.158CC..THydrogen-bonded Turntrans-58137.2-179.4-60.8-69000110T120 C126 G206D118-T120 PolarHBondContact O-N 3.21Å; D118-C126 WeakPolarHBondContact OD1-CB 3.41Å; D118-C126 PolarHBondContact OD1-N 3.37Å; D118-C126 PolarHBondContact OD1-SG 2.96Å; D118-G206 WeakPolarHBondContact OD2-CA 3.28Å; D118-G206 PolarHBondContact OD2-N 3.42Å
119S91.7Very high93.4Very high31 Ų3126 Ų2622%0.21714%0.14CC..THydrogen-bonded Turntrans54.99.6-177.4-55.10000116.4I122 E125 M183S119-I122 CarbonylContact C-O 3.56Å; S119-I122 VanDerWaalsContact CA-O 3.27Å; S119-I122 WeakPolarHBondContact CA-O 3.44Å; S119-I122 PolarHBondContact N-O 3.36Å; S119-E125 PolarHBondContact OG-OE1 3.29Å; S119-M183 WeakPolarHBondContact O-CE 3.16Å
120T92.9Very high94Very high0 Ų023.2 Ų23.20%012%0.123CC..THydrogen-bonded Turntrans-131.8-64.9-179.9-64.30000111.8M115 D116 M117 D118 I122 M183 I270M115-T120 HydrophobicContact CB-CG2 4.21Å; D116-T120 HydrophobicContact CB-CG2 4.45Å; D116-T120 WeakPolarHBondContact O-CB 3.29Å; D116-T120 WeakPolarHBondContact O-CG2 3.16Å; M117-T120 PolarHBondContact O-N 3.08Å; D118-T120 PolarHBondContact O-N 3.21Å; T120-I122 PolarHBondContact N-O 3.45Å; T120-M183 WeakPolarHBondContact O-CB 3.39Å; T120-M183 WeakPolarHBondContact O-CE 3.27Å; T120-M183 WeakPolarHBondContact O-CG 3.34Å; T120-I270 HydrophobicContact CG2-CB 4.33Å; T120-I270 HydrophobicContact CG2-CG2 3.69Å
121A94.6Very high94.2Very high0 Ų019 Ų190%010%0.096CC..THydrogen-bonded Turntrans-81.7-27.5173.200000112M115 D116 M117 M183 L186 I202 L214M115-A121 HydrophobicContact SD-CB 3.92Å; D116-A121 PolarHBondContact O-N 3.22Å; M117-A121 PolarHBondContact O-N 3.21Å; A121-M183 WeakPolarHBondContact O-CB 3.35Å; A121-M183 PolarHBondContact O-N 2.96Å; A121-L186 HydrophobicContact CB-CD2 3.87Å; A121-L186 WeakPolarHBondContact O-CD2 3.18Å; A121-I202 HydrophobicContact CB-CD1 4.34Å; A121-L214 HydrophobicContact CB-CD1 4.47Å
122I95.5Very high94.1Very high0 Ų025.6 Ų25.60%013%0.125CC..BIsolated β-bridgetrans-126.6153.8175.957.6171.1000109.9M117 S119 T120 I124 C126 L180 P181 L182 M183 L214M117-I122 HydrophobicContact CE-CD1 4.47Å; M117-I122 HydrophobicContact CG-CD1 4Å; M117-I122 HydrophobicContact CG-CG1 4.06Å; M117-I122 VanDerWaalsContact O-CG1 3.3Å; M117-I122 WeakPolarHBondContact O-CG1 3.43Å; M117-I122 PolarHBondContact O-N 3.25Å; S119-I122 CarbonylContact C-O 3.56Å; S119-I122 VanDerWaalsContact CA-O 3.27Å; S119-I122 WeakPolarHBondContact CA-O 3.44Å; S119-I122 PolarHBondContact N-O 3.36Å; T120-I122 PolarHBondContact N-O 3.45Å; I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 HydrophobicContact CD1-CG1 4.15Å; I122-I124 PolarHBondContact O-N 2.87Å; I122-C126 WeakPolarHBondContact CD1-SG 3.35Å; I122-L180 HydrophobicContact CD1-CD1 3.98Å; I122-L180 HydrophobicContact CD1-CG 4.49Å; I122-L180 HydrophobicContact CG2-CD2 3.86Å; I122-L180 HydrophobicContact CG2-CG 3.97Å; I122-P181 WeakPolarHBondContact CA-O 3.34Å; I122-L182 HydrophobicContact CG2-CD2 4.17Å; I122-M183 WeakPolarHBondContact O-CE 3.35Å; I122-L214 HydrophobicContact CG2-CD1 3.91Å; I122-L214 HydrophobicContact CG2-CD2 4.3Å
123Q92.5Very high93.9Very high105 Ų10529.3 Ų29.349%0.49114%0.144SC..SBendtrans-82.5-8.4-173.2-58.8177.337.900114P181 L182 M183Q123-P181 HydrophobicContact CB-CB 4.29Å; Q123-P181 HydrophobicContact CB-CG 4.03Å; Q123-P181 HydrophobicContact CG-CB 4.4Å; Q123-P181 PolarHBondContact N-O 2.83Å; Q123-L182 PolarHBondContact NE2-O 3.48Å; Q123-M183 HydrophobicContact CG-CE 4.21Å; Q123-M183 HydrophobicContact CG-SD 3.83Å
124I91.3Very high93.8Very high35 Ų3530.2 Ų30.218%0.17915%0.152CC..SBendtrans-113.8158.5-175.262166.6000110.9I122 E129 V176 L180 P181I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 HydrophobicContact CD1-CG1 4.15Å; I122-I124 PolarHBondContact O-N 2.87Å; I124-E129 HydrophobicContact CB-CG 4.36Å; I124-E129 HydrophobicContact CD1-CB 4.36Å; I124-E129 HydrophobicContact CD1-CG 3.84Å; I124-V176 HydrophobicContact CD1-CG1 4.01Å; I124-L180 HydrophobicContact CD1-CD1 3.88Å; I124-L180 HydrophobicContact CG1-CD1 4.33Å; I124-P181 HydrophobicContact CG1-CG 4.36Å; I124-P181 HydrophobicContact CG2-CG 3.69Å
125E91.1Very high93.6Very high66 Ų6633.5 Ų33.531%0.30819%0.186SC..  trans-90.2106.4163.8-69.8-73.7160.900107.9S119 I127 D128 E129S119-E125 PolarHBondContact OG-OE1 3.29Å; E125-I127 PolarHBondContact O-N 3.31Å; E125-I127 VanDerWaalsContact O-N 3.11Å; E125-D128 HydrophobicContact CB-CB 4.33Å; E125-D128 PolarHBondContact O-N 3.01Å; E125-E129 PolarHBondContact O-N 3.15Å
126C93.4Very high93.4Very high0 Ų034.5 Ų34.50%019%0.192CC..Hα-helixtrans-54.1-37.6-172-83.90000113.3D118 I122 D128 E129 I130 F210D118-C126 WeakPolarHBondContact OD1-CB 3.41Å; D118-C126 PolarHBondContact OD1-N 3.37Å; D118-C126 PolarHBondContact OD1-SG 2.96Å; I122-C126 WeakPolarHBondContact CD1-SG 3.35Å; C126-D128 VanDerWaalsContact C-N 3.33Å; C126-D128 PolarHBondContact O-N 2.95Å; C126-E129 PolarHBondContact O-N 3.49Å; C126-I130 WeakPolarHBondContact O-CD1 3.41Å; C126-I130 WeakPolarHBondContact O-CG1 3.23Å; C126-I130 PolarHBondContact O-N 3.43Å; C126-F210 HydrophobicContact CB-CD2 4.02Å; C126-F210 HydrophobicContact CB-CE2 4Å
127I92.8Very high93.1Very high8 Ų835.3 Ų35.34%0.04120%0.203CC..Hα-helixtrans-66.1-33.8-178.6-163.9169.1000113E125 I130 A131 L158 R161 V162 F207E125-I127 PolarHBondContact O-N 3.31Å; E125-I127 VanDerWaalsContact O-N 3.11Å; I127-I130 PolarHBondContact O-N 2.85Å; I127-A131 VanDerWaalsContact O-CB 3.24Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.24Å; I127-L158 HydrophobicContact CD1-CD1 4.33Å; I127-R161 HydrophobicContact CD1-CB 3.41Å; I127-R161 VanDerWaalsContact CD1-CB 3.41Å; I127-R161 HydrophobicContact CD1-CG 4.38Å; I127-R161 HydrophobicContact CG1-CB 4.47Å; I127-V162 HydrophobicContact CD1-CG2 4.3Å; I127-F207 HydrophobicContact CB-CE2 3.9Å; I127-F207 HydrophobicContact CB-CZ 4.2Å; I127-F207 HydrophobicContact CD1-CE2 4.44Å; I127-F207 HydrophobicContact CD1-CZ 3.89Å; I127-F207 HydrophobicContact CG1-CE2 4.09Å; I127-F207 HydrophobicContact CG1-CZ 4.02Å
128D92.1Very high93Very high65 Ų6543.6 Ų43.635%0.34824%0.242SC..Hα-helixtrans-72.6-39.6-179.2-68-18.7000110.4E125 C126 A131 K132 V140E125-D128 HydrophobicContact CB-CB 4.33Å; E125-D128 PolarHBondContact O-N 3.01Å; C126-D128 VanDerWaalsContact C-N 3.33Å; C126-D128 PolarHBondContact O-N 2.95Å; D128-A131 PolarHBondContact O-N 3.32Å; D128-K132 VanDerWaalsContact O-CB 3.29Å; D128-K132 WeakPolarHBondContact O-CB 3.4Å; D128-K132 PolarHBondContact O-N 3.03Å; D128-V140 WeakPolarHBondContact OD1-CG1 3.48Å
129E92.8Very high93Very high64 Ų6448.1 Ų48.130%0.29926%0.264SS..Hα-helixtrans-68.6-37.9174.4-71.1-57139.800112.3I124 E125 C126 K132 L133 V176I124-E129 HydrophobicContact CB-CG 4.36Å; I124-E129 HydrophobicContact CD1-CB 4.36Å; I124-E129 HydrophobicContact CD1-CG 3.84Å; E125-E129 PolarHBondContact O-N 3.15Å; C126-E129 PolarHBondContact O-N 3.49Å; E129-K132 PolarHBondContact O-N 2.63Å; E129-K132 IonicContact OE1-NZ 3.54Å; E129-K132 IonicContact OE2-NZ 2.87Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.47Å; E129-V176 HydrophobicContact CB-CG1 4.24Å; E129-V176 HydrophobicContact CB-CG2 4.19Å
130I94.5Very high93Very high0 Ų046.7 Ų46.70%025%0.254CS..Hα-helixtrans-62.7-46.7172.5-64.6161000110.2C126 I127 K132 L133 A134 L165 I172 L173 V176 F207 F210 F235C126-I130 WeakPolarHBondContact O-CD1 3.41Å; C126-I130 WeakPolarHBondContact O-CG1 3.23Å; C126-I130 PolarHBondContact O-N 3.43Å; I127-I130 PolarHBondContact O-N 2.85Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.07Å; I130-L133 PolarHBondContact O-N 2.69Å; I130-A134 WeakPolarHBondContact O-CB 3.47Å; I130-A134 PolarHBondContact O-N 3.47Å; I130-L165 HydrophobicContact CG2-CD1 3.77Å; I130-L165 HydrophobicContact CG2-CD2 4.07Å; I130-I172 HydrophobicContact CB-CG2 4.35Å; I130-I172 HydrophobicContact CG1-CG2 4.44Å; I130-I172 HydrophobicContact CG2-CG2 4.01Å; I130-L173 HydrophobicContact CD1-CD2 3.65Å; I130-L173 HydrophobicContact CG1-CD2 4.1Å; I130-V176 HydrophobicContact CG1-CG2 4.13Å; I130-F207 HydrophobicContact CD1-CD2 3.84Å; I130-F207 HydrophobicContact CD1-CE2 3.78Å; I130-F210 HydrophobicContact CD1-CE2 3.81Å; I130-F210 HydrophobicContact CD1-CZ 4.03Å; I130-F210 HydrophobicContact CG1-CZ 4.38Å; I130-F235 HydrophobicContact CG2-CE2 4.15Å; I130-F235 HydrophobicContact CG2-CZ 4.22Å
131A94.3Very high92.8Very high0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-63.3-39.8-179.300000112I127 D128 A134 G135 T136 G137 V140 L165I127-A131 VanDerWaalsContact O-CB 3.24Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.24Å; D128-A131 PolarHBondContact O-N 3.32Å; A131-A134 CarbonylContact O-C 3.49Å; A131-A134 PolarHBondContact O-N 2.83Å; A131-G135 PolarHBondContact O-N 3.06Å; A131-T136 PolarHBondContact O-N 2.79Å; A131-T136 PolarHBondContact O-OG1 3.46Å; A131-G137 PolarHBondContact O-N 3.38Å; A131-G137 VanDerWaalsContact O-N 3.14Å; A131-V140 HydrophobicContact CB-CB 3.83Å; A131-V140 HydrophobicContact CB-CG1 4.28Å; A131-V140 HydrophobicContact CB-CG2 3.45Å; A131-V140 VanDerWaalsContact CB-CG2 3.45Å; A131-L165 HydrophobicContact CB-CD2 4.08Å
132K93.4Very high92.6Very high137 Ų13754.9 Ų54.960%0.59630%0.301SS*.Hα-helixtrans-60.7-47.8174.6-177.8-178.9173.9-170.20111.8D128 E129 I130 A134 G135D128-K132 VanDerWaalsContact O-CB 3.29Å; D128-K132 WeakPolarHBondContact O-CB 3.4Å; D128-K132 PolarHBondContact O-N 3.03Å; E129-K132 PolarHBondContact O-N 2.63Å; E129-K132 IonicContact OE1-NZ 3.54Å; E129-K132 IonicContact OE2-NZ 2.87Å; I130-K132 VanDerWaalsContact C-N 3.33Å; I130-K132 PolarHBondContact O-N 3.07Å; K132-A134 VanDerWaalsContact C-N 3.31Å; K132-A134 PolarHBondContact O-N 2.82Å; K132-G135 PolarHBondContact O-N 2.87Å
133L93.1Very high92.4Very high79 Ų7955.5 Ų55.541%0.41431%0.305SS..Hα-helixtrans-69.5-28.6176.7-69.8175.3000112.9E129 I130 G135 I172 Q175 V176E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.47Å; I130-L133 PolarHBondContact O-N 2.69Å; L133-G135 VanDerWaalsContact C-N 3.28Å; L133-I172 HydrophobicContact CB-CD1 4.31Å; L133-I172 HydrophobicContact CB-CG1 4.22Å; L133-I172 HydrophobicContact CB-CG2 3.59Å; L133-I172 HydrophobicContact CD1-CG2 3.83Å; L133-I172 HydrophobicContact CG-CG2 4.36Å; L133-Q175 HydrophobicContact CD1-CB 4.1Å; L133-V176 HydrophobicContact CD1-CG2 3.65Å
134A93.8Very high92Very high23 Ų2352.2 Ų52.219%0.1929%0.292CS..THydrogen-bonded Turntrans-79.6-6.6174.700000113.6I130 A131 K132 T136 L165 A168 I172I130-A134 WeakPolarHBondContact O-CB 3.47Å; I130-A134 PolarHBondContact O-N 3.47Å; A131-A134 CarbonylContact O-C 3.49Å; A131-A134 PolarHBondContact O-N 2.83Å; K132-A134 VanDerWaalsContact C-N 3.31Å; K132-A134 PolarHBondContact O-N 2.82Å; A134-T136 VanDerWaalsContact C-N 3.31Å; A134-L165 HydrophobicContact CB-CD2 4.18Å; A134-A168 HydrophobicContact CB-CB 3.67Å; A134-I172 HydrophobicContact CB-CD1 3.88Å
135G93Very high91.7Very high69 Ų6955.4 Ų55.471%0.71131%0.306SS*.THydrogen-bonded Turntrans73.618.1-176.400000114.7A131 K132 L133A131-G135 PolarHBondContact O-N 3.06Å; K132-G135 PolarHBondContact O-N 2.87Å; L133-G135 VanDerWaalsContact C-N 3.28Å
136T93.1Very high91.5Very high22 Ų2256.6 Ų56.614%0.13531%0.307CS..  trans-117.914.3-176.656.60000113.2A131 A134 E138 M139 V140 T164A131-T136 PolarHBondContact O-N 2.79Å; A131-T136 PolarHBondContact O-OG1 3.46Å; A134-T136 VanDerWaalsContact C-N 3.31Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.19Å; T136-M139 HydrophobicContact CG2-SD 4.31Å; T136-M139 WeakPolarHBondContact O-CB 3.36Å; T136-M139 PolarHBondContact O-N 3.23Å; T136-V140 PolarHBondContact O-N 2.96Å; T136-V140 VanDerWaalsContact O-N 3.1Å; T136-T164 WeakPolarHBondContact CG2-O 3.48Å
137G91.5Very high91Very high28 Ų2857.9 Ų57.929%0.28932%0.318SS..Hα-helixtrans-53.8-41.2-177.600000114.4A131 M139 V140 A141A131-G137 PolarHBondContact O-N 3.38Å; A131-G137 VanDerWaalsContact O-N 3.14Å; G137-M139 PolarHBondContact O-N 2.95Å; G137-V140 PolarHBondContact O-N 3.49Å; G137-A141 WeakPolarHBondContact O-CB 3.48Å; G137-A141 PolarHBondContact O-N 3.49Å
138E92Very high90Very high175 Ų17564.3 Ų64.382%0.81835%0.35SS*.Hα-helixtrans-63.3-40.5177.3-67.5-175171.800112.3T136 A141 E142T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.19Å; E138-A141 PolarHBondContact O-N 3.49Å; E138-E142 PolarHBondContact O-N 3.26Å
139M93Very high89.3Confident104 Ų10469.1 Ų69.151%0.51236%0.363SS..Hα-helixtrans-67-40.1178.6-58.317672.400111.2T136 G137 E142 V143 T164T136-M139 HydrophobicContact CG2-SD 4.31Å; T136-M139 WeakPolarHBondContact O-CB 3.36Å; T136-M139 PolarHBondContact O-N 3.23Å; G137-M139 PolarHBondContact O-N 2.95Å; M139-E142 PolarHBondContact O-N 3.18Å; M139-V143 WeakPolarHBondContact O-CG2 3.41Å; M139-V143 PolarHBondContact O-N 3.4Å; M139-T164 HydrophobicContact CB-CG2 3.83Å; M139-T164 HydrophobicContact CE-CG2 4.18Å
140V91.4Very high88.5Confident0 Ų069 Ų690%038%0.379CS..Hα-helixtrans-65.9-41.6175.9172.20000110.9D128 A131 T136 G137 E142 V143 T144 R161 T164D128-V140 WeakPolarHBondContact OD1-CG1 3.48Å; A131-V140 HydrophobicContact CB-CB 3.83Å; A131-V140 HydrophobicContact CB-CG1 4.28Å; A131-V140 HydrophobicContact CB-CG2 3.45Å; A131-V140 VanDerWaalsContact CB-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.96Å; T136-V140 VanDerWaalsContact O-N 3.1Å; G137-V140 PolarHBondContact O-N 3.49Å; V140-E142 PolarHBondContact O-N 2.95Å; V140-V143 PolarHBondContact O-N 2.97Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 3.25Å; V140-T144 PolarHBondContact O-OG1 3.3Å; V140-R161 HydrophobicContact CG1-CB 4.33Å; V140-R161 HydrophobicContact CG1-CG 4.06Å; V140-T164 WeakPolarHBondContact CG2-OG1 3.45Å
141A89.2Confident88Confident50 Ų5073.9 Ų73.941%0.41340%0.402SS..Hα-helixtrans-59.7-44.1175.600000112G137 E138 V143 T144 E145G137-A141 WeakPolarHBondContact O-CB 3.48Å; G137-A141 PolarHBondContact O-N 3.49Å; E138-A141 PolarHBondContact O-N 3.49Å; A141-V143 PolarHBondContact O-N 2.91Å; A141-T144 PolarHBondContact O-N 3.28Å; A141-E145 PolarHBondContact O-N 3.03Å
142E91.1Very high87.5Confident122 Ų12275.4 Ų75.457%0.5741%0.41SS*.Hα-helixtrans-59.6-44.8176.6-171.2-172.2166.700112E138 M139 V140 E145 R146E138-E142 PolarHBondContact O-N 3.26Å; M139-E142 PolarHBondContact O-N 3.18Å; V140-E142 PolarHBondContact O-N 2.95Å; E142-E145 PolarHBondContact O-N 3.46Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.36Å; E142-R146 VanDerWaalsContact O-N 3.12Å
143V90.5Very high87.2Confident14 Ų1474 Ų749%0.08541%0.409CS..Hα-helixtrans-65.7-41.1177.3178.20000111.2M139 V140 A141 E145 R146 A147 L152 R161M139-V143 WeakPolarHBondContact O-CG2 3.41Å; M139-V143 PolarHBondContact O-N 3.4Å; V140-V143 PolarHBondContact O-N 2.97Å; A141-V143 PolarHBondContact O-N 2.91Å; V143-E145 VanDerWaalsContact C-N 3.33Å; V143-E145 PolarHBondContact O-N 3.27Å; V143-R146 PolarHBondContact O-N 2.87Å; V143-A147 PolarHBondContact O-N 3.21Å; V143-L152 HydrophobicContact CG1-CD1 3.99Å; V143-R161 HydrophobicContact CB-CG 3.82Å; V143-R161 HydrophobicContact CG1-CG 3.56Å
144T85Confident86.8Confident36 Ų3673 Ų7322%0.22140%0.401CS..Hα-helixtrans-60.5-42.6175.9-62.10000111.1V140 A141 R146 A147 M148 R161V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 3.25Å; V140-T144 PolarHBondContact O-OG1 3.3Å; A141-T144 PolarHBondContact O-N 3.28Å; T144-R146 PolarHBondContact O-N 3.07Å; T144-A147 PolarHBondContact O-N 3.43Å; T144-M148 HydrophobicContact CG2-SD 4.21Å; T144-M148 WeakPolarHBondContact O-CG 3.39Å; T144-M148 PolarHBondContact O-N 2.89Å; T144-R161 WeakPolarHBondContact OG1-CD 3.3Å
145E84.5Confident86.6Confident101 Ų10173.9 Ų73.947%0.47241%0.405SS..Hα-helixtrans-60.7-45.1175.7-78.6-163.7-171.300112.6A141 E142 V143 A147 M148 R149A141-E145 PolarHBondContact O-N 3.03Å; E142-E145 PolarHBondContact O-N 3.46Å; V143-E145 VanDerWaalsContact C-N 3.33Å; V143-E145 PolarHBondContact O-N 3.27Å; E145-A147 VanDerWaalsContact C-N 3.31Å; E145-A147 PolarHBondContact O-N 3.45Å; E145-M148 PolarHBondContact O-N 2.98Å; E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.47Å; E145-R149 IonicContact OE2-CZ 3.11Å; E145-R149 IonicContact OE2-NH2 3.88Å; E145-R149 PolarHBondContact OE2-NH2 3.18Å
146R87Confident86.5Confident91 Ų9172.1 Ų72.134%0.34338%0.383SS..Hα-helixtrans-61.7-40.7177.6-69.6175.461-156.2-6.9111.7E142 V143 T144 R149 G150 E151 L152E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.36Å; E142-R146 VanDerWaalsContact O-N 3.12Å; V143-R146 PolarHBondContact O-N 2.87Å; T144-R146 PolarHBondContact O-N 3.07Å; R146-R149 PolarHBondContact O-N 3.41Å; R146-G150 PolarHBondContact O-N 3.41Å; R146-E151 HydrophobicContact CB-CB 4.37Å; R146-E151 WeakPolarHBondContact CG-OE2 3.11Å; R146-E151 IonicContact NE-OE2 3.21Å; R146-E151 PolarHBondContact NE-OE2 2.93Å; R146-E151 VanDerWaalsContact NE-OE2 3.11Å; R146-E151 WeakPolarHBondContact O-CB 3.3Å; R146-E151 PolarHBondContact O-N 2.81Å; R146-L152 HydrophobicContact CB-CD1 4.29Å
147A82.1Confident86.4Confident27 Ų2771.4 Ų71.422%0.22338%0.379CS..Hα-helixtrans-64.2-40.8173.900000112.1V143 T144 E145 R149 G150 L152 S157V143-A147 PolarHBondContact O-N 3.21Å; T144-A147 PolarHBondContact O-N 3.43Å; E145-A147 VanDerWaalsContact C-N 3.31Å; E145-A147 PolarHBondContact O-N 3.45Å; A147-R149 VanDerWaalsContact C-N 3.27Å; A147-R149 PolarHBondContact O-N 2.99Å; A147-G150 WeakPolarHBondContact O-CA 3.32Å; A147-G150 PolarHBondContact O-N 3.45Å; A147-L152 HydrophobicContact CB-CB 4.36Å; A147-S157 VanDerWaalsContact CB-OG 3.28Å; A147-S157 WeakPolarHBondContact CB-OG 3.36Å
148M73.6Confident86.5Confident143 Ų14370.1 Ų70.170%0.70437%0.366SS*.Hα-helixtrans-65.3-28.6175.7-73.1179.765.200113.3T144 E145 G150T144-M148 HydrophobicContact CG2-SD 4.21Å; T144-M148 WeakPolarHBondContact O-CG 3.39Å; T144-M148 PolarHBondContact O-N 2.89Å; E145-M148 PolarHBondContact O-N 2.98Å; M148-G150 PolarHBondContact O-N 2.97Å
149R77.3Confident86.6Confident166 Ų16667.7 Ų67.763%0.62635%0.349SS*.THydrogen-bonded Turntrans-76.7-7171.3-66.5173.9-162.6178.47.5113.3E145 R146 A147 E151E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.47Å; E145-R149 IonicContact OE2-CZ 3.11Å; E145-R149 IonicContact OE2-NH2 3.88Å; E145-R149 PolarHBondContact OE2-NH2 3.18Å; R146-R149 PolarHBondContact O-N 3.41Å; A147-R149 VanDerWaalsContact C-N 3.27Å; A147-R149 PolarHBondContact O-N 2.99Å; R149-E151 HydrophobicContact CB-CG 4.22Å
150G75.7Confident86.6Confident62 Ų6265 Ų6564%0.63934%0.34SS*.THydrogen-bonded Turntrans81.114-178.600000114.2R146 A147 M148 L152R146-G150 PolarHBondContact O-N 3.41Å; A147-G150 WeakPolarHBondContact O-CA 3.32Å; A147-G150 PolarHBondContact O-N 3.45Å; M148-G150 PolarHBondContact O-N 2.97Å; G150-L152 VanDerWaalsContact C-N 3.32Å
151E84.2Confident86.7Confident102 Ų10266.4 Ų66.448%0.47735%0.345SS..SBendtrans-74.3-24.9177.9-61.7175.1-160.400112.7R146 R149R146-E151 HydrophobicContact CB-CB 4.37Å; R146-E151 WeakPolarHBondContact CG-OE2 3.11Å; R146-E151 IonicContact NE-OE2 3.21Å; R146-E151 PolarHBondContact NE-OE2 2.93Å; R146-E151 VanDerWaalsContact NE-OE2 3.11Å; R146-E151 WeakPolarHBondContact O-CB 3.3Å; R146-E151 PolarHBondContact O-N 2.81Å; R149-E151 HydrophobicContact CB-CG 4.22Å
152L82.6Confident87Confident33 Ų3364.1 Ų64.117%0.17333%0.326CS..SBendtrans-126.4134.4179.8-62.6173000109V143 R146 A147 G150 A156V143-L152 HydrophobicContact CG1-CD1 3.99Å; R146-L152 HydrophobicContact CB-CD1 4.29Å; A147-L152 HydrophobicContact CB-CB 4.36Å; G150-L152 VanDerWaalsContact C-N 3.32Å; L152-A156 HydrophobicContact CB-CB 4.31Å; L152-A156 HydrophobicContact CD2-CB 4.09Å
153D86.7Confident87.2Confident107 Ų10760.7 Ų60.757%0.57232%0.319SS*.  trans-68.4170.4165.368.834000110.8T155 A156 S157D153-T155 VanDerWaalsContact C-N 3.29Å; D153-T155 PolarHBondContact O-N 3.1Å; D153-T155 PolarHBondContact OD1-N 2.86Å; D153-T155 VanDerWaalsContact OD1-N 3.11Å; D153-A156 PolarHBondContact O-N 3.36Å; D153-A156 VanDerWaalsContact OD1-CB 3.29Å; D153-A156 WeakPolarHBondContact OD1-CB 3.29Å; D153-A156 PolarHBondContact OD1-N 3.11Å; D153-S157 VanDerWaalsContact O-CB 3.26Å; D153-S157 WeakPolarHBondContact O-CB 3.33Å; D153-S157 PolarHBondContact O-N 2.92Å
154F86.2Confident87.4Confident58 Ų5861.2 Ų61.225%0.25432%0.322SS..Hα-helixtrans-57.6-43-177.1176.1-97.3000112.2S157 L158 I243 V244 D245 N275F154-S157 PolarHBondContact O-N 3.21Å; F154-L158 HydrophobicContact CE1-CD2 4.26Å; F154-L158 HydrophobicContact CZ-CD2 4.41Å; F154-L158 WeakPolarHBondContact O-CB 3.37Å; F154-L158 PolarHBondContact O-N 3.13Å; F154-I243 HydrophobicContact CD1-CG2 4.24Å; F154-I243 HydrophobicContact CE1-CG2 3.93Å; F154-V244 WeakPolarHBondContact CE1-O 3.44Å; F154-D245 HydrophobicContact CD1-CB 3.9Å; F154-D245 HydrophobicContact CE1-CB 4.34Å; F154-N275 WeakPolarHBondContact CE2-ND2 3.18Å
155T89.5Confident87.8Confident42 Ų4259.6 Ų59.626%0.25831%0.312SS..Hα-helixtrans-66.5-46.3-177.7-61.70000111.6D153 R159 I243D153-T155 VanDerWaalsContact C-N 3.29Å; D153-T155 PolarHBondContact O-N 3.1Å; D153-T155 PolarHBondContact OD1-N 2.86Å; D153-T155 VanDerWaalsContact OD1-N 3.11Å; T155-R159 WeakPolarHBondContact O-CB 3.35Å; T155-R159 WeakPolarHBondContact O-CG 3.28Å; T155-R159 PolarHBondContact O-N 2.99Å; T155-I243 HydrophobicContact CG2-CG1 4.05Å
156A90.9Very high88.3Confident32 Ų3262.2 Ų62.226%0.26432%0.322SS..Hα-helixtrans-64-44.3176.500000110.8L152 D153 R159 S160L152-A156 HydrophobicContact CB-CB 4.31Å; L152-A156 HydrophobicContact CD2-CB 4.09Å; D153-A156 PolarHBondContact O-N 3.36Å; D153-A156 VanDerWaalsContact OD1-CB 3.29Å; D153-A156 WeakPolarHBondContact OD1-CB 3.29Å; D153-A156 PolarHBondContact OD1-N 3.11Å; A156-R159 PolarHBondContact O-N 3.49Å; A156-S160 VanDerWaalsContact O-CB 3.3Å; A156-S160 WeakPolarHBondContact O-CB 3.32Å; A156-S160 PolarHBondContact O-N 2.83Å; A156-S160 PolarHBondContact O-OG 2.92Å; A156-S160 VanDerWaalsContact O-OG 3.12Å
157S91.5Very high88.7Confident6 Ų659.9 Ų59.94%0.04233%0.326CS..Hα-helixtrans-60-49.1176174.30000112.2A147 D153 F154 S160 R161A147-S157 VanDerWaalsContact CB-OG 3.28Å; A147-S157 WeakPolarHBondContact CB-OG 3.36Å; D153-S157 VanDerWaalsContact O-CB 3.26Å; D153-S157 WeakPolarHBondContact O-CB 3.33Å; D153-S157 PolarHBondContact O-N 2.92Å; F154-S157 PolarHBondContact O-N 3.21Å; S157-S160 PolarHBondContact O-N 2.97Å; S157-R161 WeakPolarHBondContact O-CG 3.32Å; S157-R161 PolarHBondContact O-N 2.88Å; S157-R161 PolarHBondContact OG-NE 2.84Å
158L92.3Very high89.3Confident2 Ų259.5 Ų59.51%0.0132%0.323CS..Hα-helixtrans-61.2-48.9178.5179.764.5000111.3I127 F154 S160 R161 V162 F207 N226 I243I127-L158 HydrophobicContact CD1-CD1 4.33Å; F154-L158 HydrophobicContact CE1-CD2 4.26Å; F154-L158 HydrophobicContact CZ-CD2 4.41Å; F154-L158 WeakPolarHBondContact O-CB 3.37Å; F154-L158 PolarHBondContact O-N 3.13Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.33Å; L158-R161 PolarHBondContact O-N 2.99Å; L158-V162 HydrophobicContact CD1-CG2 4.07Å; L158-V162 HydrophobicContact CG-CG2 4.4Å; L158-V162 WeakPolarHBondContact O-CB 3.28Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 2.82Å; L158-F207 HydrophobicContact CD1-CE1 4.31Å; L158-F207 HydrophobicContact CD1-CZ 4.49Å; L158-N226 HydrophobicContact CD2-CB 4.28Å; L158-N226 VanDerWaalsContact CD2-ND2 3.33Å; L158-N226 WeakPolarHBondContact CD2-ND2 3.15Å; L158-I243 HydrophobicContact CD2-CD1 4.25Å; L158-I243 HydrophobicContact CD2-CG2 3.95Å
159R94.2Very high90.3Very high124 Ų12457 Ų5747%0.46831%0.313SS..Hα-helixtrans-60.3-41.9178-74.3178.7178-105.6-3.1111.8T155 A156 V162 A163T155-R159 WeakPolarHBondContact O-CB 3.35Å; T155-R159 WeakPolarHBondContact O-CG 3.28Å; T155-R159 PolarHBondContact O-N 2.99Å; A156-R159 PolarHBondContact O-N 3.49Å; R159-V162 PolarHBondContact O-N 3.17Å; R159-A163 VanDerWaalsContact O-CB 3.27Å; R159-A163 WeakPolarHBondContact O-CB 3.18Å; R159-A163 PolarHBondContact O-N 2.99Å
160S93.4Very high91.1Very high46 Ų4649.8 Ų49.832%0.32229%0.289SS..Hα-helixtrans-64.9-41.6176.4-71.30000112.5A156 S157 L158 A163 T164A156-S160 VanDerWaalsContact O-CB 3.3Å; A156-S160 WeakPolarHBondContact O-CB 3.32Å; A156-S160 PolarHBondContact O-N 2.83Å; A156-S160 PolarHBondContact O-OG 2.92Å; A156-S160 VanDerWaalsContact O-OG 3.12Å; S157-S160 PolarHBondContact O-N 2.97Å; L158-S160 VanDerWaalsContact C-N 3.32Å; L158-S160 PolarHBondContact O-N 3.33Å; S160-A163 PolarHBondContact O-N 3.36Å; S160-T164 WeakPolarHBondContact O-CG2 3.12Å; S160-T164 PolarHBondContact O-N 2.98Å
161R93.4Very high92Very high30 Ų3051.1 Ų51.111%0.11328%0.281CS..Hα-helixtrans-68.1-36.9175.6-68.4-178.2-67.3158.21.7112.5I127 V140 V143 T144 S157 L158 T164I127-R161 HydrophobicContact CD1-CB 3.41Å; I127-R161 VanDerWaalsContact CD1-CB 3.41Å; I127-R161 HydrophobicContact CD1-CG 4.38Å; I127-R161 HydrophobicContact CG1-CB 4.47Å; V140-R161 HydrophobicContact CG1-CB 4.33Å; V140-R161 HydrophobicContact CG1-CG 4.06Å; V143-R161 HydrophobicContact CB-CG 3.82Å; V143-R161 HydrophobicContact CG1-CG 3.56Å; T144-R161 WeakPolarHBondContact OG1-CD 3.3Å; S157-R161 WeakPolarHBondContact O-CG 3.32Å; S157-R161 PolarHBondContact O-N 2.88Å; S157-R161 PolarHBondContact OG-NE 2.84Å; L158-R161 PolarHBondContact O-N 2.99Å; R161-T164 PolarHBondContact O-N 2.83Å; R161-T164 PolarHBondContact O-OG1 3.48Å
162V95.1Very high92.5Very high2 Ų246.8 Ų46.81%0.01226%0.261CS..Hα-helixtrans-70.7-35.51761740000111I127 L158 R159 T164 L165 F207 L228 G237 V239I127-V162 HydrophobicContact CD1-CG2 4.3Å; L158-V162 HydrophobicContact CD1-CG2 4.07Å; L158-V162 HydrophobicContact CG-CG2 4.4Å; L158-V162 WeakPolarHBondContact O-CB 3.28Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.14Å; L158-V162 PolarHBondContact O-N 2.82Å; R159-V162 PolarHBondContact O-N 3.17Å; V162-T164 PolarHBondContact O-N 2.78Å; V162-L165 WeakPolarHBondContact O-CB 3.4Å; V162-L165 PolarHBondContact O-N 3.26Å; V162-F207 HydrophobicContact CG2-CE1 3.89Å; V162-F207 HydrophobicContact CG2-CZ 3.92Å; V162-L228 HydrophobicContact CB-CD2 4.32Å; V162-L228 HydrophobicContact CG1-CD2 3.47Å; V162-L228 VanDerWaalsContact CG1-CD2 3.47Å; V162-L228 HydrophobicContact CG2-CD2 3.81Å; V162-G237 WeakPolarHBondContact O-CA 3.42Å; V162-V239 HydrophobicContact CB-CG2 4.02Å; V162-V239 HydrophobicContact CG1-CG2 3.91Å; V162-V239 HydrophobicContact CG2-CG2 3.76Å
163A95.4Very high93.1Very high51 Ų5145.5 Ų45.542%0.42125%0.254SS..Hα-helixtrans-61.3-29.9177.400000113.2R159 S160 L165 K166 G237R159-A163 VanDerWaalsContact O-CB 3.27Å; R159-A163 WeakPolarHBondContact O-CB 3.18Å; R159-A163 PolarHBondContact O-N 2.99Å; S160-A163 PolarHBondContact O-N 3.36Å; A163-L165 PolarHBondContact O-N 2.86Å; A163-K166 VanDerWaalsContact O-CB 3.29Å; A163-K166 WeakPolarHBondContact O-CB 3.33Å; A163-K166 PolarHBondContact O-N 3.35Å; A163-G237 WeakPolarHBondContact CA-O 3.33Å; A163-G237 PolarHBondContact N-O 3.26Å
164T94.2Very high93.5Very high24 Ų2442.8 Ų42.815%0.14724%0.238CC..THydrogen-bonded Turntrans-67.9-22.4175.767.30000112.4T136 M139 V140 S160 R161 V162 K166T136-T164 WeakPolarHBondContact CG2-O 3.48Å; M139-T164 HydrophobicContact CB-CG2 3.83Å; M139-T164 HydrophobicContact CE-CG2 4.18Å; V140-T164 WeakPolarHBondContact CG2-OG1 3.45Å; S160-T164 WeakPolarHBondContact O-CG2 3.12Å; S160-T164 PolarHBondContact O-N 2.98Å; R161-T164 PolarHBondContact O-N 2.83Å; R161-T164 PolarHBondContact O-OG1 3.48Å; V162-T164 PolarHBondContact O-N 2.78Å; T164-K166 PolarHBondContact O-N 3.44Å
165L94.2Very high93.9Very high2 Ų244 Ų441%0.0125%0.245CC..THydrogen-bonded Turntrans-79.6-5.5179.3-53.6179.2000113.1I130 A131 A134 V162 A163 G167 A168 F235I130-L165 HydrophobicContact CG2-CD1 3.77Å; I130-L165 HydrophobicContact CG2-CD2 4.07Å; A131-L165 HydrophobicContact CB-CD2 4.08Å; A134-L165 HydrophobicContact CB-CD2 4.18Å; V162-L165 WeakPolarHBondContact O-CB 3.4Å; V162-L165 PolarHBondContact O-N 3.26Å; A163-L165 PolarHBondContact O-N 2.86Å; L165-G167 PolarHBondContact O-N 3.19Å; L165-A168 WeakPolarHBondContact O-CB 3.14Å; L165-A168 PolarHBondContact O-N 3.07Å; L165-F235 HydrophobicContact CB-CB 4.42Å; L165-F235 HydrophobicContact CB-CD2 4.34Å
166K95.5Very high94.1Very high156 Ų15642.5 Ų42.568%0.67824%0.235SC*.THydrogen-bonded Turntrans-52.9123.4-175.7179.7169.5-175.1176.30112A163 T164 T236A163-K166 VanDerWaalsContact O-CB 3.29Å; A163-K166 WeakPolarHBondContact O-CB 3.33Å; A163-K166 PolarHBondContact O-N 3.35Å; T164-K166 PolarHBondContact O-N 3.44Å; K166-T236 WeakPolarHBondContact CD-O 3.35Å; K166-T236 VanDerWaalsContact CG-O 3.26Å; K166-T236 WeakPolarHBondContact CG-O 3.23Å
167G94.1Very high94.2Very high42 Ų4244.4 Ų44.443%0.43324%0.236SC..THydrogen-bonded Turntrans88.3-8177.800000115.2L165 F235L165-G167 PolarHBondContact O-N 3.19Å; G167-F235 PolarHBondContact N-O 3.06Å
168A94.4Very high94.2Very high19 Ų1950.2 Ų50.216%0.15726%0.262CS..SBendtrans-70.7151.9172.800000111.4A134 L165 A170 I172 K234 F235A134-A168 HydrophobicContact CB-CB 3.67Å; L165-A168 WeakPolarHBondContact O-CB 3.14Å; L165-A168 PolarHBondContact O-N 3.07Å; A168-A170 PolarHBondContact O-N 3.27Å; A168-I172 HydrophobicContact CB-CD1 4.27Å; A168-K234 VanDerWaalsContact O-CA 3.32Å; A168-K234 WeakPolarHBondContact O-CA 3.37Å; A168-F235 HydrophobicContact CB-CD2 4.01Å; A168-F235 WeakPolarHBondContact O-CD2 3.41Å; A168-F235 PolarHBondContact O-N 3.27Å
169D95.8Very high93.9Very high92 Ų9256.5 Ų56.549%0.49230%0.296SS..BIsolated β-bridgetrans-68.1126.1-178.5-171-25.8000110.7N171 I172D169-N171 PolarHBondContact O-N 3.4Å; D169-N171 WeakPolarHBondContact OD1-CB 3.32Å; D169-N171 PolarHBondContact OD1-N 3.25Å; D169-I172 WeakPolarHBondContact O-CB 3.43Å; D169-I172 WeakPolarHBondContact O-CD1 3.35Å; D169-I172 VanDerWaalsContact O-CG1 3.24Å; D169-I172 WeakPolarHBondContact O-CG1 3.33Å; D169-I172 PolarHBondContact O-N 3.15Å
170A94.5Very high93.8Very high14 Ų1451.2 Ų51.212%0.11628%0.277CS..THydrogen-bonded Turntrans-67.6-17.3-179.800000113A168 I172 L173 I230 G233 F235A168-A170 PolarHBondContact O-N 3.27Å; A170-I172 PolarHBondContact O-N 3.29Å; A170-I172 VanDerWaalsContact O-N 3.09Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 WeakPolarHBondContact O-CG 3.42Å; A170-L173 PolarHBondContact O-N 3.43Å; A170-I230 HydrophobicContact CB-CD1 3.9Å; A170-I230 HydrophobicContact CB-CG1 4.05Å; A170-I230 HydrophobicContact CB-CG2 3.68Å; A170-G233 VanDerWaalsContact CB-O 3.27Å; A170-G233 WeakPolarHBondContact CB-O 3.45Å; A170-G233 PolarHBondContact N-O 3.08Å; A170-F235 HydrophobicContact CB-CE1 4.31Å; A170-F235 HydrophobicContact CB-CZ 4.39Å
171N94.5Very high93.8Very high89 Ų8951 Ų5148%0.47627%0.274SS..THydrogen-bonded Turntrans-62.2-14.8173.8-166.744.4000112.8D169 L173 Q174 Q175D169-N171 PolarHBondContact O-N 3.4Å; D169-N171 WeakPolarHBondContact OD1-CB 3.32Å; D169-N171 PolarHBondContact OD1-N 3.25Å; N171-L173 PolarHBondContact O-N 2.91Å; N171-Q174 WeakPolarHBondContact O-CB 3.26Å; N171-Q174 PolarHBondContact O-N 3.18Å; N171-Q174 VanDerWaalsContact O-N 3.14Å; N171-Q175 PolarHBondContact O-N 2.82Å
172I94.9Very high93.8Very high12 Ų1251.2 Ų51.26%0.06228%0.277CS..Hα-helixtrans-55-36.6168.8-69.4169.8000111.3I130 L133 A134 A168 D169 A170 Q174 Q175 V176I130-I172 HydrophobicContact CB-CG2 4.35Å; I130-I172 HydrophobicContact CG1-CG2 4.44Å; I130-I172 HydrophobicContact CG2-CG2 4.01Å; L133-I172 HydrophobicContact CB-CD1 4.31Å; L133-I172 HydrophobicContact CB-CG1 4.22Å; L133-I172 HydrophobicContact CB-CG2 3.59Å; L133-I172 HydrophobicContact CD1-CG2 3.83Å; L133-I172 HydrophobicContact CG-CG2 4.36Å; A134-I172 HydrophobicContact CB-CD1 3.88Å; A168-I172 HydrophobicContact CB-CD1 4.27Å; D169-I172 WeakPolarHBondContact O-CB 3.43Å; D169-I172 WeakPolarHBondContact O-CD1 3.35Å; D169-I172 VanDerWaalsContact O-CG1 3.24Å; D169-I172 WeakPolarHBondContact O-CG1 3.33Å; D169-I172 PolarHBondContact O-N 3.15Å; A170-I172 PolarHBondContact O-N 3.29Å; A170-I172 VanDerWaalsContact O-N 3.09Å; I172-Q174 VanDerWaalsContact C-N 3.25Å; I172-Q174 PolarHBondContact O-N 3.44Å; I172-Q175 WeakPolarHBondContact O-CB 3.27Å; I172-Q175 PolarHBondContact O-N 2.89Å; I172-Q175 VanDerWaalsContact O-N 3.1Å; I172-V176 HydrophobicContact CG2-CG2 4.3Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 2.8Å
173L95.3Very high93.8Very high6 Ų652 Ų523%0.03128%0.281CS..Hα-helixtrans-57.8-40.6178.1-62.3-177.2000112I130 A170 N171 V176 R177 F209 F210 L228 I230 F235I130-L173 HydrophobicContact CD1-CD2 3.65Å; I130-L173 HydrophobicContact CG1-CD2 4.1Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 WeakPolarHBondContact O-CG 3.42Å; A170-L173 PolarHBondContact O-N 3.43Å; N171-L173 PolarHBondContact O-N 2.91Å; L173-V176 PolarHBondContact O-N 2.87Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 PolarHBondContact O-N 2.94Å; L173-F209 HydrophobicContact CB-CD1 3.76Å; L173-F209 HydrophobicContact CB-CE1 3.61Å; L173-F209 HydrophobicContact CB-CG 4.28Å; L173-F209 HydrophobicContact CB-CZ 4.01Å; L173-F209 HydrophobicContact CD1-CB 4.2Å; L173-F209 HydrophobicContact CD1-CD1 4.26Å; L173-F209 HydrophobicContact CD1-CD2 4.18Å; L173-F209 HydrophobicContact CD1-CG 3.96Å; L173-F209 HydrophobicContact CG-CD1 4.49Å; L173-F209 WeakPolarHBondContact O-CE1 3.23Å; L173-F210 HydrophobicContact CB-CZ 4.41Å; L173-F210 HydrophobicContact CD2-CE2 3.89Å; L173-F210 HydrophobicContact CD2-CZ 3.76Å; L173-L228 HydrophobicContact CD2-CD1 4.1Å; L173-I230 HydrophobicContact CD1-CD1 3.91Å; L173-F235 HydrophobicContact CD1-CE1 3.96Å; L173-F235 HydrophobicContact CD1-CZ 4.24Å; L173-F235 HydrophobicContact CD2-CE1 3.99Å; L173-F235 HydrophobicContact CD2-CZ 3.71Å; L173-F235 HydrophobicContact CG-CE1 3.92Å; L173-F235 HydrophobicContact CG-CZ 3.68Å
174Q94.5Very high93.6Very high50 Ų5052.6 Ų52.623%0.23428%0.281CS..Hα-helixtrans-64.4-42.4177.4-179.668.423.300111.4N171 I172 R177 E178N171-Q174 WeakPolarHBondContact O-CB 3.26Å; N171-Q174 PolarHBondContact O-N 3.18Å; N171-Q174 VanDerWaalsContact O-N 3.14Å; I172-Q174 VanDerWaalsContact C-N 3.25Å; I172-Q174 PolarHBondContact O-N 3.44Å; Q174-R177 WeakPolarHBondContact O-CB 3.17Å; Q174-R177 PolarHBondContact O-N 2.89Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.33Å; Q174-E178 PolarHBondContact NE2-OE1 3.2Å; Q174-E178 WeakPolarHBondContact O-CG 3.07Å; Q174-E178 PolarHBondContact O-N 3.03Å
175Q93.6Very high93.3Very high84 Ų8452 Ų5239%0.39328%0.279SS..Hα-helixtrans-63.9-41.9179.3-62.6177.531.600112L133 N171 I172L133-Q175 HydrophobicContact CD1-CB 4.1Å; N171-Q175 PolarHBondContact O-N 2.82Å; I172-Q175 WeakPolarHBondContact O-CB 3.27Å; I172-Q175 PolarHBondContact O-N 2.89Å; I172-Q175 VanDerWaalsContact O-N 3.1Å
176V94Very high93.3Very high10 Ų1052 Ų526%0.06128%0.279CS..Hα-helixtrans-65.4-41.61751790000110.5I124 E129 I130 L133 I172 L173 E178 N179 L180 F210I124-V176 HydrophobicContact CD1-CG1 4.01Å; E129-V176 HydrophobicContact CB-CG1 4.24Å; E129-V176 HydrophobicContact CB-CG2 4.19Å; I130-V176 HydrophobicContact CG1-CG2 4.13Å; L133-V176 HydrophobicContact CD1-CG2 3.65Å; I172-V176 HydrophobicContact CG2-CG2 4.3Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 2.8Å; L173-V176 PolarHBondContact O-N 2.87Å; V176-E178 PolarHBondContact O-N 2.94Å; V176-N179 PolarHBondContact O-N 2.81Å; V176-L180 HydrophobicContact CG1-CD1 4.32Å; V176-L180 PolarHBondContact O-N 2.91Å; V176-F210 HydrophobicContact CB-CE1 3.87Å; V176-F210 HydrophobicContact CB-CZ 4.05Å; V176-F210 HydrophobicContact CG1-CE1 3.73Å; V176-F210 HydrophobicContact CG1-CZ 3.96Å
177R94Very high93.1Very high72 Ų7247 Ų4727%0.27226%0.262SS..Hα-helixtrans-62.4-40.4179.9-174.9-174.778.3166.38.3113.1L173 Q174 N179 L180 F209 F210 Y213L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 PolarHBondContact O-N 2.94Å; Q174-R177 WeakPolarHBondContact O-CB 3.17Å; Q174-R177 PolarHBondContact O-N 2.89Å; R177-N179 PolarHBondContact O-N 3.04Å; R177-L180 WeakPolarHBondContact O-CB 3.44Å; R177-L180 PolarHBondContact O-N 2.64Å; R177-F209 HydrophobicContact CB-CE1 4.05Å; R177-F209 HydrophobicContact CG-CE1 4.42Å; R177-F210 HydrophobicContact CB-CD1 4.48Å; R177-F210 HydrophobicContact CB-CE1 4.31Å; R177-Y213 HydrophobicContact CG-CD1 3.82Å; R177-Y213 HydrophobicContact CG-CD2 3.9Å; R177-Y213 HydrophobicContact CG-CE1 3.99Å; R177-Y213 HydrophobicContact CG-CE2 4.05Å; R177-Y213 HydrophobicContact CG-CG 3.76Å
178E90.6Very high92.9Very high127 Ų12749.9 Ų49.959%0.59326%0.264SS*.Hα-helixtrans-62.5-29.9-178.1-78.3171.3-170.800112.8Q174 V176Q174-E178 WeakPolarHBondContact CG-OE1 3.33Å; Q174-E178 PolarHBondContact NE2-OE1 3.2Å; Q174-E178 WeakPolarHBondContact O-CG 3.07Å; Q174-E178 PolarHBondContact O-N 3.03Å; V176-E178 PolarHBondContact O-N 2.94Å
179N86.8Confident92.7Very high135 Ų13549.3 Ų49.372%0.72226%0.259SS*.THydrogen-bonded Turntrans-109.116.5-179.9-63.6-58000113.3V176 R177 P181V176-N179 PolarHBondContact O-N 2.81Å; R177-N179 PolarHBondContact O-N 3.04Å; N179-P181 WeakPolarHBondContact O-CD 3.38Å; N179-P181 VanDerWaalsContact O-N 3.09Å
180L91.4Very high92.6Very high12 Ų1245.1 Ų45.16%0.06324%0.236CC..  trans-64.4108.2-171.8-162.177.7000111.4I122 I124 V176 R177 L182 F210 Y213 L214I122-L180 HydrophobicContact CD1-CD1 3.98Å; I122-L180 HydrophobicContact CD1-CG 4.49Å; I122-L180 HydrophobicContact CG2-CD2 3.86Å; I122-L180 HydrophobicContact CG2-CG 3.97Å; I124-L180 HydrophobicContact CD1-CD1 3.88Å; I124-L180 HydrophobicContact CG1-CD1 4.33Å; V176-L180 HydrophobicContact CG1-CD1 4.32Å; V176-L180 PolarHBondContact O-N 2.91Å; R177-L180 WeakPolarHBondContact O-CB 3.44Å; R177-L180 PolarHBondContact O-N 2.64Å; L180-L182 PolarHBondContact O-N 3.1Å; L180-F210 HydrophobicContact CD1-CD1 4.17Å; L180-Y213 HydrophobicContact CD2-CD1 4.05Å; L180-Y213 HydrophobicContact CD2-CE1 4.21Å; L180-L214 HydrophobicContact CD2-CD2 4.14Å; L180-L214 HydrophobicContact CD2-CG 4.39Å
181P93.2Very high92.4Very high42 Ų4248.2 Ų48.227%0.27325%0.25SS..  trans-79.3111.6-176.831.3-30.3000109.6I122 Q123 I124 N179I122-P181 WeakPolarHBondContact CA-O 3.34Å; Q123-P181 HydrophobicContact CB-CB 4.29Å; Q123-P181 HydrophobicContact CB-CG 4.03Å; Q123-P181 HydrophobicContact CG-CB 4.4Å; Q123-P181 PolarHBondContact N-O 2.83Å; I124-P181 HydrophobicContact CG1-CG 4.36Å; I124-P181 HydrophobicContact CG2-CG 3.69Å; N179-P181 WeakPolarHBondContact O-CD 3.38Å; N179-P181 VanDerWaalsContact O-N 3.09Å
182L94.5Very high92Very high34 Ų3445.5 Ų45.518%0.17823%0.234CC..BIsolated β-bridgetrans-65.2144.8172.4-58-174.4000110I122 Q123 L180 L186 L214I122-L182 HydrophobicContact CG2-CD2 4.17Å; Q123-L182 PolarHBondContact NE2-O 3.48Å; L180-L182 PolarHBondContact O-N 3.1Å; L182-L186 HydrophobicContact CD2-CD2 4.43Å; L182-L214 HydrophobicContact CD2-CD2 3.38Å
183M94.6Very high91.8Very high19 Ų1945.2 Ų45.29%0.09423%0.233CC..PPolyproline II helixtrans-62.9136.1172.7-165.665.170.900109.7S119 T120 A121 I122 Q123 G185 L186 Y289 L308S119-M183 WeakPolarHBondContact O-CE 3.16Å; T120-M183 WeakPolarHBondContact O-CB 3.39Å; T120-M183 WeakPolarHBondContact O-CE 3.27Å; T120-M183 WeakPolarHBondContact O-CG 3.34Å; A121-M183 WeakPolarHBondContact O-CB 3.35Å; A121-M183 PolarHBondContact O-N 2.96Å; I122-M183 WeakPolarHBondContact O-CE 3.35Å; Q123-M183 HydrophobicContact CG-CE 4.21Å; Q123-M183 HydrophobicContact CG-SD 3.83Å; M183-G185 PolarHBondContact O-N 3.08Å; M183-L186 VanDerWaalsContact O-CB 3.28Å; M183-L186 WeakPolarHBondContact O-CB 3.35Å; M183-L186 PolarHBondContact O-N 3.4Å; M183-L186 VanDerWaalsContact O-N 3.13Å; M183-Y289 HydrophobicContact CE-CE1 4.07Å; M183-Y289 HydrophobicContact CG-CE1 3.7Å; M183-Y289 HydrophobicContact SD-CE1 3.88Å; M183-L308 HydrophobicContact CB-CD1 3.77Å; M183-L308 HydrophobicContact CG-CD1 3.82Å; M183-L308 HydrophobicContact CG-CG 4.08Å
184P91.3Very high91.5Very high63 Ų6348.5 Ų48.541%0.40925%0.248SC..THydrogen-bonded Turntrans-54137.3178-26.636.8000111.7L186 D307 L308P184-L186 VanDerWaalsContact C-N 3.28Å; P184-L186 PolarHBondContact O-N 2.8Å; P184-D307 HydrophobicContact CB-CB 3.88Å; P184-D307 WeakPolarHBondContact O-CB 3.4Å; P184-L308 PolarHBondContact O-N 2.8Å; P184-L308 VanDerWaalsContact O-N 3.15Å
185G88.1Confident91.1Very high11 Ų1151.5 Ų51.511%0.11327%0.27CS..THydrogen-bonded Turntrans81.4-11.6-178.400000115.9M183 T187 Q188 L189M183-G185 PolarHBondContact O-N 3.08Å; G185-T187 PolarHBondContact O-N 2.8Å; G185-Q188 PolarHBondContact O-N 3.34Å; G185-L189 WeakPolarHBondContact O-CB 3.44Å; G185-L189 PolarHBondContact O-N 3.13Å
186L93.1Very high90.8Very high2 Ų249.9 Ų49.91%0.0126%0.264CS..Hα-helixtrans-57-51.4-176.9176.961.8000112.6M115 A121 L182 M183 P184 Q188 L189 V190 L218 L308M115-L186 HydrophobicContact CE-CD1 3.99Å; M115-L186 HydrophobicContact SD-CD1 3.6Å; M115-L186 VanDerWaalsContact SD-CD1 3.6Å; A121-L186 HydrophobicContact CB-CD2 3.87Å; A121-L186 WeakPolarHBondContact O-CD2 3.18Å; L182-L186 HydrophobicContact CD2-CD2 4.43Å; M183-L186 VanDerWaalsContact O-CB 3.28Å; M183-L186 WeakPolarHBondContact O-CB 3.35Å; M183-L186 PolarHBondContact O-N 3.4Å; M183-L186 VanDerWaalsContact O-N 3.13Å; P184-L186 VanDerWaalsContact C-N 3.28Å; P184-L186 PolarHBondContact O-N 2.8Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3.15Å; L186-L189 PolarHBondContact O-N 2.95Å; L186-V190 HydrophobicContact CD1-CG2 3.88Å; L186-V190 HydrophobicContact CG-CG2 4.38Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 2.85Å; L186-L218 HydrophobicContact CD2-CD1 3.59Å; L186-L218 HydrophobicContact CG-CD1 3.9Å; L186-L308 HydrophobicContact CB-CD1 3.73Å; L186-L308 HydrophobicContact CD1-CD1 3.97Å; L186-L308 HydrophobicContact CG-CD1 4.42Å
187T92.7Very high90.6Very high53 Ų5351.5 Ų51.533%0.32528%0.282SS..Hα-helixtrans-59.9-43.6-176.4-54.10000111.1G185 L191 L218G185-T187 PolarHBondContact O-N 2.8Å; T187-L191 HydrophobicContact CG2-CD1 3.99Å; T187-L191 WeakPolarHBondContact O-CB 3.4Å; T187-L191 VanDerWaalsContact O-CG 3.25Å; T187-L191 WeakPolarHBondContact O-CG 3.36Å; T187-L191 PolarHBondContact O-N 3.04Å; T187-L218 HydrophobicContact CG2-CD2 4.32Å
188Q89.3Confident90.7Very high102 Ų10248.5 Ų48.548%0.47727%0.271SS..Hα-helixtrans-65.6-43.2178.6-69.978.6-5.800111G185 L186 K192 M309G185-Q188 PolarHBondContact O-N 3.34Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3.15Å; Q188-K192 WeakPolarHBondContact O-CB 3.33Å; Q188-K192 PolarHBondContact O-N 3.23Å; Q188-M309 HydrophobicContact CB-CE 4.21Å; Q188-M309 HydrophobicContact CB-CG 4.04Å; Q188-M309 HydrophobicContact CB-SD 3.55Å; Q188-M309 VanDerWaalsContact CB-SD 3.55Å
189L90.2Very high91Very high7 Ų746.4 Ų46.44%0.03726%0.26CS..Hα-helixtrans-59.7-51.4177.4176.663.7000110.7L113 M115 G185 L186 K192 L193 L308 M309L113-L189 HydrophobicContact CD2-CD2 3.92Å; L113-L189 HydrophobicContact CD2-CG 4.34Å; M115-L189 HydrophobicContact CE-CD2 4.43Å; G185-L189 WeakPolarHBondContact O-CB 3.44Å; G185-L189 PolarHBondContact O-N 3.13Å; L186-L189 PolarHBondContact O-N 2.95Å; L189-K192 PolarHBondContact O-N 3.37Å; L189-L193 HydrophobicContact CD1-CD1 3.9Å; L189-L193 HydrophobicContact CD1-CG 4.14Å; L189-L193 HydrophobicContact CG-CD1 4.07Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 VanDerWaalsContact O-CG 3.31Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.38Å; L189-L308 HydrophobicContact CD2-CB 4.15Å; L189-M309 HydrophobicContact CB-SD 3.96Å; L189-M309 PolarHBondContact N-SD 3Å
190V93.2Very high91.5Very high4 Ų440.2 Ų40.22%0.02423%0.227CC..Hα-helixtrans-61-50.6-178.7175.80000111.1L186 K192 L193 E194 V200 L218 L220L186-V190 HydrophobicContact CD1-CG2 3.88Å; L186-V190 HydrophobicContact CG-CG2 4.38Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 2.85Å; V190-K192 VanDerWaalsContact C-N 3.27Å; V190-K192 PolarHBondContact O-N 3.48Å; V190-L193 PolarHBondContact O-N 2.97Å; V190-E194 WeakPolarHBondContact O-CB 3.37Å; V190-E194 PolarHBondContact O-N 3.05Å; V190-V200 HydrophobicContact CG2-CG1 4.26Å; V190-L218 HydrophobicContact CG1-CB 4.27Å; V190-L218 WeakPolarHBondContact CG1-O 3.37Å; V190-L218 HydrophobicContact CG2-CD1 4.48Å; V190-L220 HydrophobicContact CG1-CD2 3.84Å; V190-L220 HydrophobicContact CG2-CD2 3.99Å
191L91.1Very high91.8Very high79 Ų7939.6 Ų39.641%0.41422%0.224SC..Hα-helixtrans-57-44.2179.4-74.7170.1000111.3T187 E194 T195T187-L191 HydrophobicContact CG2-CD1 3.99Å; T187-L191 WeakPolarHBondContact O-CB 3.4Å; T187-L191 VanDerWaalsContact O-CG 3.25Å; T187-L191 WeakPolarHBondContact O-CG 3.36Å; T187-L191 PolarHBondContact O-N 3.04Å; L191-E194 PolarHBondContact O-N 3.25Å; L191-T195 VanDerWaalsContact O-CG2 3.28Å; L191-T195 WeakPolarHBondContact O-CG2 3.35Å; L191-T195 PolarHBondContact O-N 3.35Å
192K85.9Confident92Very high32 Ų3237.7 Ų37.714%0.13921%0.211CC..Hα-helixtrans-67.3-42.5-177.8-165.5155.5171.9-170.40112Q188 L189 V190 T195 L196 M309 H317Q188-K192 WeakPolarHBondContact O-CB 3.33Å; Q188-K192 PolarHBondContact O-N 3.23Å; L189-K192 PolarHBondContact O-N 3.37Å; V190-K192 VanDerWaalsContact C-N 3.27Å; V190-K192 PolarHBondContact O-N 3.48Å; K192-T195 PolarHBondContact O-N 2.88Å; K192-T195 PolarHBondContact O-OG1 2.84Å; K192-L196 WeakPolarHBondContact O-CD1 3.5Å; K192-L196 WeakPolarHBondContact O-CG 3.43Å; K192-L196 PolarHBondContact O-N 2.92Å; K192-M309 HydrophobicContact CD-CE 4.12Å; K192-H317 WeakPolarHBondContact CE-CE1 3.2Å; K192-H317 WeakPolarHBondContact CE-ND1 3.34Å
193L90.7Very high92.1Very high5 Ų536.1 Ų36.13%0.02620%0.203CC..Hα-helixtrans-63.6-42.8174.1-70.3-179.4000111.7L107 L113 L189 V190 T195 L196 G197 W198 V200L107-L193 HydrophobicContact CD1-CD2 3.9Å; L107-L193 HydrophobicContact CD2-CD2 3.38Å; L107-L193 HydrophobicContact CG-CD2 4.37Å; L113-L193 HydrophobicContact CB-CD1 4.03Å; L113-L193 HydrophobicContact CD2-CD1 3.37Å; L113-L193 HydrophobicContact CG-CD1 4.34Å; L189-L193 HydrophobicContact CD1-CD1 3.9Å; L189-L193 HydrophobicContact CD1-CG 4.14Å; L189-L193 HydrophobicContact CG-CD1 4.07Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 VanDerWaalsContact O-CG 3.31Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.38Å; V190-L193 PolarHBondContact O-N 2.97Å; L193-T195 VanDerWaalsContact C-N 3.31Å; L193-T195 PolarHBondContact O-N 3.32Å; L193-L196 CarbonylContact O-C 3.44Å; L193-L196 PolarHBondContact O-N 3.47Å; L193-G197 PolarHBondContact O-N 3.29Å; L193-W198 HydrophobicContact CB-CB 3.85Å; L193-W198 HydrophobicContact CD1-CE3 4.48Å; L193-W198 HydrophobicContact CD2-CB 4.2Å; L193-W198 HydrophobicContact CD2-CD2 4.01Å; L193-W198 HydrophobicContact CD2-CE3 3.94Å; L193-W198 HydrophobicContact CD2-CG 4.13Å; L193-W198 WeakPolarHBondContact O-CB 3.44Å; L193-W198 PolarHBondContact O-N 2.87Å; L193-V200 HydrophobicContact CB-CG2 3.91Å; L193-V200 HydrophobicContact CD1-CG2 3.94Å
194E88.7Confident92.1Very high76 Ų7635.2 Ų35.236%0.35520%0.198SC..Hα-helixtrans-56.9-44.3175.2-170.3-172.1-171.900111V190 L191 L196 G197 R219V190-E194 WeakPolarHBondContact O-CB 3.37Å; V190-E194 PolarHBondContact O-N 3.05Å; L191-E194 PolarHBondContact O-N 3.25Å; E194-L196 PolarHBondContact O-N 2.79Å; E194-L196 VanDerWaalsContact O-N 3.14Å; E194-G197 PolarHBondContact O-N 3.47Å; E194-R219 IonicContact OE1-NH1 3.22Å; E194-R219 PolarHBondContact OE1-NH1 3.44Å; E194-R219 IonicContact OE2-CZ 3.98Å; E194-R219 IonicContact OE2-NH1 3.76Å
195T87.2Confident92.1Very high112 Ų11232.8 Ų32.869%0.68719%0.185SC*.Hα-helixtrans-64.2-18.9177.866.10000114.5L191 K192 L193L191-T195 VanDerWaalsContact O-CG2 3.28Å; L191-T195 WeakPolarHBondContact O-CG2 3.35Å; L191-T195 PolarHBondContact O-N 3.35Å; K192-T195 PolarHBondContact O-N 2.88Å; K192-T195 PolarHBondContact O-OG1 2.84Å; L193-T195 VanDerWaalsContact C-N 3.31Å; L193-T195 PolarHBondContact O-N 3.32Å
196L86.1Confident92.4Very high51 Ų5132.5 Ų32.527%0.26718%0.182SC..THydrogen-bonded Turntrans-98.95.9179.1-62.9161.3000112.5L107 K192 L193 E194 W198 H317L107-L196 HydrophobicContact CB-CD1 4.28Å; L107-L196 HydrophobicContact CD2-CB 4.28Å; L107-L196 HydrophobicContact CD2-CD1 3.73Å; L107-L196 HydrophobicContact CG-CD1 4.46Å; K192-L196 WeakPolarHBondContact O-CD1 3.5Å; K192-L196 WeakPolarHBondContact O-CG 3.43Å; K192-L196 PolarHBondContact O-N 2.92Å; L193-L196 CarbonylContact O-C 3.44Å; L193-L196 PolarHBondContact O-N 3.47Å; E194-L196 PolarHBondContact O-N 2.79Å; E194-L196 VanDerWaalsContact O-N 3.14Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 2.91Å; L196-H317 HydrophobicContact CD1-CB 3.3Å
197G89.7Confident92.5Very high43 Ų4332.5 Ų32.544%0.44318%0.182SC..THydrogen-bonded Turntrans74.617-178.700000113.7L193 E194L193-G197 PolarHBondContact O-N 3.29Å; E194-G197 PolarHBondContact O-N 3.47Å
198W95.3Very high92.7Very high10 Ų1031.4 Ų31.44%0.03818%0.175CC..  trans-77.4147.2172.9-86.146.9000111.5P105 L107 T109 G111 L113 L193 L196 V268P105-W198 HydrophobicContact CB-CH2 3.57Å; P105-W198 HydrophobicContact CB-CZ2 3.85Å; P105-W198 HydrophobicContact CG-CH2 4.31Å; L107-W198 VanDerWaalsContact CD2-CD1 3.47Å; L107-W198 HydrophobicContact CD2-CD2 3.55Å; L107-W198 HydrophobicContact CD2-CE3 4.33Å; L107-W198 HydrophobicContact CD2-CG 3.7Å; L107-W198 HydrophobicContact CD2-CZ2 3.78Å; L107-W198 HydrophobicContact CG-CZ2 3.87Å; T109-W198 PolarHBondContact O-NE1 3.42Å; G111-W198 VanDerWaalsContact CA-CE2 3.44Å; G111-W198 CarbonylContact O-C 3.57Å; G111-W198 VanDerWaalsContact O-CA 3.31Å; G111-W198 WeakPolarHBondContact O-CA 3.25Å; L113-W198 HydrophobicContact CB-CE3 4.4Å; L193-W198 HydrophobicContact CB-CB 3.85Å; L193-W198 HydrophobicContact CD1-CE3 4.48Å; L193-W198 HydrophobicContact CD2-CB 4.2Å; L193-W198 HydrophobicContact CD2-CD2 4.01Å; L193-W198 HydrophobicContact CD2-CE3 3.94Å; L193-W198 HydrophobicContact CD2-CG 4.13Å; L193-W198 WeakPolarHBondContact O-CB 3.44Å; L193-W198 PolarHBondContact O-N 2.87Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 2.91Å; W198-V268 HydrophobicContact CH2-CG2 3.74Å; W198-V268 HydrophobicContact CZ3-CB 4.35Å; W198-V268 HydrophobicContact CZ3-CG2 3.65Å
199K96.9Very high93Very high82 Ų8230.1 Ų30.136%0.35717%0.168SC..EExtended strand (participates in β ladder)trans-91.5140.4170.3-57.1-51.7-169.8176.80108.9G111 L112 L113 T221 Y260 I262G111-K199 PolarHBondContact O-N 3.15Å; L112-K199 CarbonylContact C-O 3.59Å; L112-K199 WeakPolarHBondContact CA-O 3.49Å; L112-K199 HydrophobicContact CD1-CB 3.8Å; L113-K199 PolarHBondContact N-O 3.14Å; K199-T221 HydrophobicContact CB-CG2 4.34Å; K199-T221 HydrophobicContact CD-CG2 3.82Å; K199-T221 HydrophobicContact CG-CG2 4.34Å; K199-Y260 HydrophobicContact CB-CD2 4.13Å; K199-Y260 HydrophobicContact CB-CE2 4.36Å; K199-Y260 HydrophobicContact CG-CD2 3.93Å; K199-Y260 HydrophobicContact CG-CE2 4.38Å; K199-Y260 HydrophobicContact CG-CG 4.1Å; K199-I262 HydrophobicContact CG-CD1 4.14Å
200V97.3Very high93.3Very high5 Ų529.8 Ų29.83%0.0317%0.166CC..EExtended strand (participates in β ladder)trans-127.9131.1178-170.40000108.9L113 M115 V190 L193 L220 T221L113-V200 HydrophobicContact CB-CG1 4.36Å; L113-V200 HydrophobicContact CB-CG2 4.47Å; L113-V200 HydrophobicContact CD2-CG1 4.13Å; L113-V200 HydrophobicContact CG-CG1 4.3Å; L113-V200 CarbonylContact O-C 3.58Å; L113-V200 WeakPolarHBondContact O-CA 3.45Å; M115-V200 HydrophobicContact CE-CG1 3.9Å; V190-V200 HydrophobicContact CG2-CG1 4.26Å; L193-V200 HydrophobicContact CB-CG2 3.91Å; L193-V200 HydrophobicContact CD1-CG2 3.94Å; V200-L220 HydrophobicContact CB-CD2 4.2Å; V200-L220 HydrophobicContact CG1-CD2 3.98Å; V200-T221 PolarHBondContact N-OG1 3.06Å; V200-T221 PolarHBondContact O-N 2.86Å; V200-T221 PolarHBondContact O-OG1 2.88Å
201A97.9Very high93.4Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-138.1157.4-177.900000112.4L113 V114 M115 A222 L256L113-A201 PolarHBondContact O-N 3.17Å; V114-A201 WeakPolarHBondContact CA-O 3.32Å; V114-A201 HydrophobicContact CG2-CB 4.47Å; M115-A201 PolarHBondContact N-O 2.91Å; A201-A222 CarbonylContact C-O 3.47Å; A201-A222 WeakPolarHBondContact CA-O 3.45Å; A201-A222 HydrophobicContact CB-CB 4.05Å; A201-A222 VanDerWaalsContact CB-O 3.28Å; A201-A222 WeakPolarHBondContact CB-O 3.35Å; A201-L256 HydrophobicContact CB-CD1 3.62Å
202I97.7Very high93.7Very high2 Ų229.6 Ų29.61%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-111135.7171.5-72.6172.3000109.7M115 M117 A121 L214 L220 A222 V223 V224M115-I202 HydrophobicContact CG-CG1 3.93Å; M115-I202 VanDerWaalsContact O-CA 3.32Å; M115-I202 WeakPolarHBondContact O-CA 3.24Å; M117-I202 HydrophobicContact CB-CG2 3.8Å; A121-I202 HydrophobicContact CB-CD1 4.34Å; I202-L214 HydrophobicContact CD1-CB 4.03Å; I202-L214 HydrophobicContact CD1-CD1 3.79Å; I202-L220 HydrophobicContact CD1-CD1 3.43Å; I202-L220 VanDerWaalsContact CD1-CD1 3.43Å; I202-L220 HydrophobicContact CG1-CD1 3.76Å; I202-A222 PolarHBondContact N-O 3.15Å; I202-A222 VanDerWaalsContact N-O 3.07Å; I202-V223 HydrophobicContact CB-CB 4.48Å; I202-V223 HydrophobicContact CB-CG1 4.04Å; I202-V223 CarbonylContact O-C 3.49Å; I202-V223 WeakPolarHBondContact O-CA 3.47Å; I202-V224 PolarHBondContact O-N 3.34Å
203A97.1Very high94.2Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-129.5103.7168.900000109V114 M115 V224 K249 T252 M279V114-A203 HydrophobicContact CG1-CB 3.75Å; M115-A203 PolarHBondContact O-N 3.41Å; A203-V224 WeakPolarHBondContact CA-O 3.42Å; A203-K249 HydrophobicContact CB-CB 4.32Å; A203-K249 HydrophobicContact CB-CG 4.18Å; A203-K249 WeakPolarHBondContact O-CD 3.46Å; A203-K249 VanDerWaalsContact O-CE 3.29Å; A203-K249 WeakPolarHBondContact O-CE 3.01Å; A203-K249 PolarHBondContact O-NZ 2.99Å; A203-T252 HydrophobicContact CB-CG2 4.11Å; A203-M279 HydrophobicContact CB-SD 4.22Å
204S95Very high94.5Very high0 Ų030.6 Ų30.60%017%0.166CC..EExtended strand (participates in β ladder)trans-126.6147.9-166.8-168.80000114.9D116 M117 G206 V224 A225 V244D116-S204 VanDerWaalsContact OD1-CA 3.27Å; D116-S204 WeakPolarHBondContact OD1-CA 3.39Å; D116-S204 WeakPolarHBondContact OD1-CB 3.26Å; D116-S204 PolarHBondContact OD1-OG 3.24Å; M117-S204 WeakPolarHBondContact CB-OG 3.46Å; S204-G206 VanDerWaalsContact C-N 3.25Å; S204-G206 PolarHBondContact OG-N 3.23Å; S204-V224 PolarHBondContact N-O 3.47Å; S204-A225 WeakPolarHBondContact O-CA 3.28Å; S204-V244 WeakPolarHBondContact O-CB 3.46Å; S204-V244 WeakPolarHBondContact O-CG1 3.49Å
205G91.9Very high94.8Very high12 Ų1230.3 Ų30.312%0.12416%0.162CC..EExtended strand (participates in β ladder)trans-78.3-8.9166.600000113.5N226G205-N226 VanDerWaalsContact C-ND2 3.33Å; G205-N226 PolarHBondContact O-ND2 2.86Å
206G92.6Very high95.2Very high5 Ų530.1 Ų30.15%0.05216%0.156CC..EExtended strand (participates in β ladder)trans-74-152.7172.800000112.8D118 S204 N226D118-G206 WeakPolarHBondContact OD2-CA 3.28Å; D118-G206 PolarHBondContact OD2-N 3.42Å; S204-G206 VanDerWaalsContact C-N 3.25Å; S204-G206 PolarHBondContact OG-N 3.23Å; G206-N226 VanDerWaalsContact O-CB 3.32Å; G206-N226 WeakPolarHBondContact O-CB 3.49Å; G206-N226 PolarHBondContact O-N 2.9Å
207F95.8Very high95.7Very high3 Ų332.7 Ų32.71%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-113.1141.1-168.7-50.4-63.4000115.2I127 I130 L158 V162 F209 F210 A211 N226 L228I127-F207 HydrophobicContact CB-CE2 3.9Å; I127-F207 HydrophobicContact CB-CZ 4.2Å; I127-F207 HydrophobicContact CD1-CE2 4.44Å; I127-F207 HydrophobicContact CD1-CZ 3.89Å; I127-F207 HydrophobicContact CG1-CE2 4.09Å; I127-F207 HydrophobicContact CG1-CZ 4.02Å; I130-F207 HydrophobicContact CD1-CD2 3.84Å; I130-F207 HydrophobicContact CD1-CE2 3.78Å; L158-F207 HydrophobicContact CD1-CE1 4.31Å; L158-F207 HydrophobicContact CD1-CZ 4.49Å; V162-F207 HydrophobicContact CG2-CE1 3.89Å; V162-F207 HydrophobicContact CG2-CZ 3.92Å; F207-F209 PolarHBondContact O-N 3.17Å; F207-F210 HydrophobicContact CB-CD2 4.07Å; F207-F210 HydrophobicContact CB-CE2 4.34Å; F207-F210 HydrophobicContact CD2-CD2 4.46Å; F207-F210 HydrophobicContact CD2-CE2 4.18Å; F207-F210 PolarHBondContact O-N 2.84Å; F207-F210 VanDerWaalsContact O-N 3.08Å; F207-A211 PolarHBondContact O-N 3.33Å; F207-N226 CarbonylContact C-O 3.55Å; F207-N226 WeakPolarHBondContact CA-O 3.26Å; F207-N226 HydrophobicContact CD1-CB 4.3Å; F207-L228 HydrophobicContact CB-CD1 4.36Å; F207-L228 HydrophobicContact CB-CG 4.44Å; F207-L228 HydrophobicContact CD1-CD1 3.9Å; F207-L228 HydrophobicContact CD1-CD2 3.8Å; F207-L228 HydrophobicContact CD1-CG 3.48Å; F207-L228 VanDerWaalsContact CD1-CG 3.48Å; F207-L228 HydrophobicContact CD2-CD1 3.86Å; F207-L228 HydrophobicContact CD2-CG 4.37Å; F207-L228 HydrophobicContact CE1-CD1 4.1Å; F207-L228 HydrophobicContact CE1-CD2 3.42Å; F207-L228 VanDerWaalsContact CE1-CD2 3.42Å; F207-L228 HydrophobicContact CE1-CG 3.68Å; F207-L228 HydrophobicContact CE2-CD1 4.05Å; F207-L228 HydrophobicContact CG-CD1 3.76Å; F207-L228 HydrophobicContact CG-CD2 4.49Å; F207-L228 HydrophobicContact CG-CG 3.85Å; F207-L228 HydrophobicContact CZ-CD1 4.15Å; F207-L228 HydrophobicContact CZ-CD2 3.84Å; F207-L228 HydrophobicContact CZ-CG 4.19Å
208T96.3Very high95.9Very high30 Ų3031.3 Ų31.318%0.18415%0.148CC..Hα-helixtrans-51.8-40.1-178.7-57.90000112.7F210 A211 E212 A225 N226T208-F210 VanDerWaalsContact C-N 3.29Å; T208-F210 PolarHBondContact O-N 3.34Å; T208-A211 PolarHBondContact O-N 3Å; T208-A211 VanDerWaalsContact O-N 3.15Å; T208-E212 HydrophobicContact CG2-CG 3.77Å; T208-E212 WeakPolarHBondContact O-CB 3.35Å; T208-E212 WeakPolarHBondContact O-CG 3.42Å; T208-E212 PolarHBondContact O-N 3.14Å; T208-A225 PolarHBondContact OG1-O 3.19Å; T208-N226 PolarHBondContact N-O 3.38Å; T208-N226 PolarHBondContact OG1-O 3.44Å
209F95.9Very high95.8Very high75 Ų7538.3 Ų38.333%0.32917%0.174SC..Hα-helixtrans-53.1-42.3178.6-176.3-93000113.7L173 R177 F207 Y213L173-F209 HydrophobicContact CB-CD1 3.76Å; L173-F209 HydrophobicContact CB-CE1 3.61Å; L173-F209 HydrophobicContact CB-CG 4.28Å; L173-F209 HydrophobicContact CB-CZ 4.01Å; L173-F209 HydrophobicContact CD1-CB 4.2Å; L173-F209 HydrophobicContact CD1-CD1 4.26Å; L173-F209 HydrophobicContact CD1-CD2 4.18Å; L173-F209 HydrophobicContact CD1-CG 3.96Å; L173-F209 HydrophobicContact CG-CD1 4.49Å; L173-F209 WeakPolarHBondContact O-CE1 3.23Å; R177-F209 HydrophobicContact CB-CE1 4.05Å; R177-F209 HydrophobicContact CG-CE1 4.42Å; F207-F209 PolarHBondContact O-N 3.17Å; F209-Y213 PolarHBondContact O-N 3.33Å
210F96.8Very high95.8Very high0 Ų035 Ų350%016%0.16CC..Hα-helixtrans-81.4-38178.4-55.5-75.5000111.8M117 C126 I130 L173 V176 R177 L180 F207 T208 E212 Y213 L214M117-F210 HydrophobicContact CE-CB 3.99Å; M117-F210 HydrophobicContact SD-CB 3.86Å; C126-F210 HydrophobicContact CB-CD2 4.02Å; C126-F210 HydrophobicContact CB-CE2 4Å; I130-F210 HydrophobicContact CD1-CE2 3.81Å; I130-F210 HydrophobicContact CD1-CZ 4.03Å; I130-F210 HydrophobicContact CG1-CZ 4.38Å; L173-F210 HydrophobicContact CB-CZ 4.41Å; L173-F210 HydrophobicContact CD2-CE2 3.89Å; L173-F210 HydrophobicContact CD2-CZ 3.76Å; V176-F210 HydrophobicContact CB-CE1 3.87Å; V176-F210 HydrophobicContact CB-CZ 4.05Å; V176-F210 HydrophobicContact CG1-CE1 3.73Å; V176-F210 HydrophobicContact CG1-CZ 3.96Å; R177-F210 HydrophobicContact CB-CD1 4.48Å; R177-F210 HydrophobicContact CB-CE1 4.31Å; L180-F210 HydrophobicContact CD1-CD1 4.17Å; F207-F210 HydrophobicContact CB-CD2 4.07Å; F207-F210 HydrophobicContact CB-CE2 4.34Å; F207-F210 HydrophobicContact CD2-CD2 4.46Å; F207-F210 HydrophobicContact CD2-CE2 4.18Å; F207-F210 PolarHBondContact O-N 2.84Å; F207-F210 VanDerWaalsContact O-N 3.08Å; T208-F210 VanDerWaalsContact C-N 3.29Å; T208-F210 PolarHBondContact O-N 3.34Å; F210-E212 PolarHBondContact O-N 2.73Å; F210-Y213 WeakPolarHBondContact O-CB 3.38Å; F210-Y213 PolarHBondContact O-N 3Å; F210-L214 WeakPolarHBondContact O-CG 3.48Å; F210-L214 PolarHBondContact O-N 2.98Å
211A96.4Very high95.7Very high1 Ų137.3 Ų37.31%0.00817%0.174CC..Hα-helixtrans-62.5-42.6178.800000111.5M117 F207 T208 L214 R215 V223 A225M117-A211 HydrophobicContact SD-CB 4.01Å; F207-A211 PolarHBondContact O-N 3.33Å; T208-A211 PolarHBondContact O-N 3Å; T208-A211 VanDerWaalsContact O-N 3.15Å; A211-L214 PolarHBondContact O-N 3.02Å; A211-R215 PolarHBondContact O-N 3.37Å; A211-V223 HydrophobicContact CB-CB 4.09Å; A211-V223 HydrophobicContact CB-CG2 4.29Å; A211-A225 HydrophobicContact CB-CB 3.86Å
212E96.7Very high95.7Very high77 Ų7738.1 Ų38.136%0.3618%0.181SC..Hα-helixtrans-67.9-38.3175.4-67.5-163124.400112.6T208 F210 L214 R215 D216 V223T208-E212 HydrophobicContact CG2-CG 3.77Å; T208-E212 WeakPolarHBondContact O-CB 3.35Å; T208-E212 WeakPolarHBondContact O-CG 3.42Å; T208-E212 PolarHBondContact O-N 3.14Å; F210-E212 PolarHBondContact O-N 2.73Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.38Å; E212-R215 WeakPolarHBondContact O-CB 3.25Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 2.65Å; E212-R215 IonicContact OE1-NH1 3.8Å; E212-R215 PolarHBondContact OE1-NH1 3.31Å; E212-R215 IonicContact OE1-NH2 3.88Å; E212-D216 VanDerWaalsContact O-CG 3.26Å; E212-D216 PolarHBondContact O-N 3.37Å; E212-V223 HydrophobicContact CG-CG2 4.09Å
213Y96.5Very high95.7Very high59 Ų5939.3 Ų39.323%0.23119%0.188CC..Hα-helixtrans-58.3-44.2171.6171.4-105.7000111.8R177 L180 F209 F210 D216 K217R177-Y213 HydrophobicContact CG-CD1 3.82Å; R177-Y213 HydrophobicContact CG-CD2 3.9Å; R177-Y213 HydrophobicContact CG-CE1 3.99Å; R177-Y213 HydrophobicContact CG-CE2 4.05Å; R177-Y213 HydrophobicContact CG-CG 3.76Å; L180-Y213 HydrophobicContact CD2-CD1 4.05Å; L180-Y213 HydrophobicContact CD2-CE1 4.21Å; F209-Y213 PolarHBondContact O-N 3.33Å; F210-Y213 WeakPolarHBondContact O-CB 3.38Å; F210-Y213 PolarHBondContact O-N 3Å; Y213-D216 PolarHBondContact O-N 3.1Å; Y213-K217 HydrophobicContact CE1-CD 3.85Å; Y213-K217 HydrophobicContact CE2-CD 4.5Å; Y213-K217 WeakPolarHBondContact O-CB 3.49Å; Y213-K217 PolarHBondContact O-N 3.48Å; Y213-K217 PolarHBondContact OH-NZ 3.1Å
214L95.8Very high95.6Very high0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-66.5-39.5175.4-69.4176.3000112.2M117 A121 I122 L180 L182 I202 F210 A211 E212 D216 K217 L218 L220M117-L214 HydrophobicContact CG-CD1 3.62Å; M117-L214 HydrophobicContact SD-CD1 3.86Å; A121-L214 HydrophobicContact CB-CD1 4.47Å; I122-L214 HydrophobicContact CG2-CD1 3.91Å; I122-L214 HydrophobicContact CG2-CD2 4.3Å; L180-L214 HydrophobicContact CD2-CD2 4.14Å; L180-L214 HydrophobicContact CD2-CG 4.39Å; L182-L214 HydrophobicContact CD2-CD2 3.38Å; I202-L214 HydrophobicContact CD1-CB 4.03Å; I202-L214 HydrophobicContact CD1-CD1 3.79Å; F210-L214 WeakPolarHBondContact O-CG 3.48Å; F210-L214 PolarHBondContact O-N 2.98Å; A211-L214 PolarHBondContact O-N 3.02Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.38Å; L214-D216 VanDerWaalsContact C-N 3.32Å; L214-D216 PolarHBondContact O-N 3.31Å; L214-K217 PolarHBondContact O-N 2.95Å; L214-L218 HydrophobicContact CD2-CD1 4.4Å; L214-L218 VanDerWaalsContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.31Å; L214-L218 PolarHBondContact O-N 3.28Å; L214-L220 HydrophobicContact CB-CD1 4.42Å
215R96.8Very high95.7Very high70 Ų7041 Ų4126%0.26420%0.2SC..Hα-helixtrans-53.4-51.6173.7-173.9-168.360.1-144.4-8.3110.8A211 E212 R219 L220 V223A211-R215 PolarHBondContact O-N 3.37Å; E212-R215 WeakPolarHBondContact O-CB 3.25Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 2.65Å; E212-R215 IonicContact OE1-NH1 3.8Å; E212-R215 PolarHBondContact OE1-NH1 3.31Å; E212-R215 IonicContact OE1-NH2 3.88Å; R215-R219 CarbonylContact O-C 3.54Å; R215-R219 WeakPolarHBondContact O-CA 3.42Å; R215-R219 PolarHBondContact O-N 3.49Å; R215-L220 HydrophobicContact CB-CB 4.42Å; R215-L220 HydrophobicContact CG-CB 4.22Å; R215-L220 WeakPolarHBondContact CG-O 3.05Å; R215-L220 PolarHBondContact O-N 3.18Å; R215-V223 HydrophobicContact CB-CG1 3.64Å; R215-V223 HydrophobicContact CB-CG2 4.22Å; R215-V223 HydrophobicContact CG-CG1 4.1Å
216D95.7Very high95.9Very high107 Ų10740.5 Ų40.557%0.57220%0.195SC*.Hα-helixtrans-74.2-40-173.7-61.1-11.3000110.7E212 Y213 L214E212-D216 VanDerWaalsContact O-CG 3.26Å; E212-D216 PolarHBondContact O-N 3.37Å; Y213-D216 PolarHBondContact O-N 3.1Å; L214-D216 VanDerWaalsContact C-N 3.32Å; L214-D216 PolarHBondContact O-N 3.31Å
217K94.6Very high96.1Very high105 Ų10545 Ų4546%0.45721%0.214SC..Hα-helixtrans-65.3-38.8177.9-173.5175.4-169.8169.60113.1Y213 L214Y213-K217 HydrophobicContact CE1-CD 3.85Å; Y213-K217 HydrophobicContact CE2-CD 4.5Å; Y213-K217 WeakPolarHBondContact O-CB 3.49Å; Y213-K217 PolarHBondContact O-N 3.48Å; Y213-K217 PolarHBondContact OH-NZ 3.1Å; L214-K217 PolarHBondContact O-N 2.95Å
218L94.5Very high96.1Very high15 Ų1545.5 Ų45.58%0.07922%0.217CC..Hα-helixtrans-107.51.1-174.1-58.8175000113.6L186 T187 V190 L214 L220L186-L218 HydrophobicContact CD2-CD1 3.59Å; L186-L218 HydrophobicContact CG-CD1 3.9Å; T187-L218 HydrophobicContact CG2-CD2 4.32Å; V190-L218 HydrophobicContact CG1-CB 4.27Å; V190-L218 WeakPolarHBondContact CG1-O 3.37Å; V190-L218 HydrophobicContact CG2-CD1 4.48Å; L214-L218 HydrophobicContact CD2-CD1 4.4Å; L214-L218 VanDerWaalsContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.31Å; L214-L218 PolarHBondContact O-N 3.28Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 HydrophobicContact CB-CD2 3.79Å; L218-L220 HydrophobicContact CB-CG 4.02Å; L218-L220 PolarHBondContact O-N 3.4Å
219R94.3Very high96.1Very high156 Ų15646.9 Ų46.959%0.58922%0.222SC*.THydrogen-bonded Turntrans55.643.3-176.3-65.7177.4-87154.4-9.5113.1E194 R215E194-R219 IonicContact OE1-NH1 3.22Å; E194-R219 PolarHBondContact OE1-NH1 3.44Å; E194-R219 IonicContact OE2-CZ 3.98Å; E194-R219 IonicContact OE2-NH1 3.76Å; R215-R219 CarbonylContact O-C 3.54Å; R215-R219 WeakPolarHBondContact O-CA 3.42Å; R215-R219 PolarHBondContact O-N 3.49Å
220L96.4Very high96Very high13 Ų1346.9 Ų46.97%0.06822%0.224CC..  trans-67147.7177.2-49.2179.5000110.4V190 V200 I202 L214 R215 L218 V223V190-L220 HydrophobicContact CG1-CD2 3.84Å; V190-L220 HydrophobicContact CG2-CD2 3.99Å; V200-L220 HydrophobicContact CB-CD2 4.2Å; V200-L220 HydrophobicContact CG1-CD2 3.98Å; I202-L220 HydrophobicContact CD1-CD1 3.43Å; I202-L220 VanDerWaalsContact CD1-CD1 3.43Å; I202-L220 HydrophobicContact CG1-CD1 3.76Å; L214-L220 HydrophobicContact CB-CD1 4.42Å; R215-L220 HydrophobicContact CB-CB 4.42Å; R215-L220 HydrophobicContact CG-CB 4.22Å; R215-L220 WeakPolarHBondContact CG-O 3.05Å; R215-L220 PolarHBondContact O-N 3.18Å; L218-L220 VanDerWaalsContact C-N 3.32Å; L218-L220 HydrophobicContact CB-CD2 3.79Å; L218-L220 HydrophobicContact CB-CG 4.02Å; L218-L220 PolarHBondContact O-N 3.4Å; L220-V223 HydrophobicContact CD1-CG1 4.2Å
221T95.5Very high95.9Very high53 Ų5352.1 Ų52.133%0.32525%0.25SS..SBendtrans-73.8-34.8-176.7-44.20000112.1K199 V200 Y260K199-T221 HydrophobicContact CB-CG2 4.34Å; K199-T221 HydrophobicContact CD-CG2 3.82Å; K199-T221 HydrophobicContact CG-CG2 4.34Å; V200-T221 PolarHBondContact N-OG1 3.06Å; V200-T221 PolarHBondContact O-N 2.86Å; V200-T221 PolarHBondContact O-OG1 2.88Å; T221-Y260 HydrophobicContact CG2-CE1 4.01Å; T221-Y260 HydrophobicContact CG2-CE2 3.86Å; T221-Y260 VanDerWaalsContact CG2-CZ 3.44Å; T221-Y260 VanDerWaalsContact CG2-OH 3.28Å; T221-Y260 WeakPolarHBondContact CG2-OH 3.2Å
222A96.8Very high95.8Very high17 Ų1759.9 Ų59.914%0.1429%0.292CS..EExtended strand (participates in β ladder)trans-154.6153.2179.200000111.3A201 I202 L256A201-A222 CarbonylContact C-O 3.47Å; A201-A222 WeakPolarHBondContact CA-O 3.45Å; A201-A222 HydrophobicContact CB-CB 4.05Å; A201-A222 VanDerWaalsContact CB-O 3.28Å; A201-A222 WeakPolarHBondContact CB-O 3.35Å; I202-A222 PolarHBondContact N-O 3.15Å; I202-A222 VanDerWaalsContact N-O 3.07Å; A222-L256 HydrophobicContact CB-CD1 3.97Å; A222-L256 HydrophobicContact CB-CD2 3.83Å
223V97.4Very high95.6Very high27 Ų2758.1 Ų58.116%0.16429%0.294CS..EExtended strand (participates in β ladder)trans-138.8144.3170-60.50000110.2I202 A211 E212 R215 L220I202-V223 HydrophobicContact CB-CB 4.48Å; I202-V223 HydrophobicContact CB-CG1 4.04Å; I202-V223 CarbonylContact O-C 3.49Å; I202-V223 WeakPolarHBondContact O-CA 3.47Å; A211-V223 HydrophobicContact CB-CB 4.09Å; A211-V223 HydrophobicContact CB-CG2 4.29Å; E212-V223 HydrophobicContact CG-CG2 4.09Å; R215-V223 HydrophobicContact CB-CG1 3.64Å; R215-V223 HydrophobicContact CB-CG2 4.22Å; R215-V223 HydrophobicContact CG-CG1 4.1Å; L220-V223 HydrophobicContact CD1-CG1 4.2Å
224V96.6Very high95.6Very high22 Ų2260.9 Ų60.913%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-137.7129.1170-172.70000109I202 A203 S204 V244 Y248 T252I202-V224 PolarHBondContact O-N 3.34Å; A203-V224 WeakPolarHBondContact CA-O 3.42Å; S204-V224 PolarHBondContact N-O 3.47Å; V224-V244 HydrophobicContact CG1-CG2 3.78Å; V224-Y248 HydrophobicContact CB-CE1 4.43Å; V224-Y248 HydrophobicContact CG1-CD1 4.16Å; V224-Y248 HydrophobicContact CG1-CE1 3.37Å; V224-T252 HydrophobicContact CB-CG2 4.44Å; V224-T252 HydrophobicContact CG2-CG2 3.83Å
225A96.5Very high95.6Very high14 Ų1461.1 Ų61.112%0.11631%0.308CS..EExtended strand (participates in β ladder)trans-154.2175.7178.600000110.4S204 T208 A211S204-A225 WeakPolarHBondContact O-CA 3.28Å; T208-A225 PolarHBondContact OG1-O 3.19Å; A211-A225 HydrophobicContact CB-CB 3.86Å
226N96.3Very high95.6Very high1 Ų158.9 Ų58.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-79.7142.6178.6-65.2-64000111.3L158 G205 G206 F207 T208 V239 I243 V244L158-N226 HydrophobicContact CD2-CB 4.28Å; L158-N226 VanDerWaalsContact CD2-ND2 3.33Å; L158-N226 WeakPolarHBondContact CD2-ND2 3.15Å; G205-N226 VanDerWaalsContact C-ND2 3.33Å; G205-N226 PolarHBondContact O-ND2 2.86Å; G206-N226 VanDerWaalsContact O-CB 3.32Å; G206-N226 WeakPolarHBondContact O-CB 3.49Å; G206-N226 PolarHBondContact O-N 2.9Å; F207-N226 CarbonylContact C-O 3.55Å; F207-N226 WeakPolarHBondContact CA-O 3.26Å; F207-N226 HydrophobicContact CD1-CB 4.3Å; T208-N226 PolarHBondContact N-O 3.38Å; T208-N226 PolarHBondContact OG1-O 3.44Å; N226-V239 HydrophobicContact CB-CG1 3.85Å; N226-I243 WeakPolarHBondContact OD1-CA 3.4Å; N226-V244 PolarHBondContact OD1-N 3.03Å
227E96Very high95.5Very high99 Ų9954 Ų5446%0.46328%0.278SS..EExtended strand (participates in β ladder)trans-102.3123.2-179.3-174.8172.8-177.200111.2V239 I240E227-V239 CarbonylContact O-C 3.59Å; E227-V239 VanDerWaalsContact O-CA 3.28Å; E227-V239 WeakPolarHBondContact O-CA 3.28Å; E227-V239 WeakPolarHBondContact O-CG1 3.41Å; E227-I240 HydrophobicContact CB-CB 4.11Å; E227-I240 HydrophobicContact CG-CB 4.22Å; E227-I240 HydrophobicContact CG-CD1 4.18Å; E227-I240 HydrophobicContact CG-CG1 4.46Å; E227-I240 PolarHBondContact O-N 3.14Å
228L95.4Very high95.6Very high15 Ų1553.3 Ų53.38%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-76.9130175.1-72.4172.2000110V162 L173 F207 I230 F235V162-L228 HydrophobicContact CB-CD2 4.32Å; V162-L228 HydrophobicContact CG1-CD2 3.47Å; V162-L228 VanDerWaalsContact CG1-CD2 3.47Å; V162-L228 HydrophobicContact CG2-CD2 3.81Å; L173-L228 HydrophobicContact CD2-CD1 4.1Å; F207-L228 HydrophobicContact CB-CD1 4.36Å; F207-L228 HydrophobicContact CB-CG 4.44Å; F207-L228 HydrophobicContact CD1-CD1 3.9Å; F207-L228 HydrophobicContact CD1-CD2 3.8Å; F207-L228 HydrophobicContact CD1-CG 3.48Å; F207-L228 VanDerWaalsContact CD1-CG 3.48Å; F207-L228 HydrophobicContact CD2-CD1 3.86Å; F207-L228 HydrophobicContact CD2-CG 4.37Å; F207-L228 HydrophobicContact CE1-CD1 4.1Å; F207-L228 HydrophobicContact CE1-CD2 3.42Å; F207-L228 VanDerWaalsContact CE1-CD2 3.42Å; F207-L228 HydrophobicContact CE1-CG 3.68Å; F207-L228 HydrophobicContact CE2-CD1 4.05Å; F207-L228 HydrophobicContact CG-CD1 3.76Å; F207-L228 HydrophobicContact CG-CD2 4.49Å; F207-L228 HydrophobicContact CG-CG 3.85Å; F207-L228 HydrophobicContact CZ-CD1 4.15Å; F207-L228 HydrophobicContact CZ-CD2 3.84Å; F207-L228 HydrophobicContact CZ-CG 4.19Å; L228-I230 PolarHBondContact O-N 3.4Å; L228-F235 HydrophobicContact CB-CD1 4.35Å; L228-F235 HydrophobicContact CB-CE1 4.41Å; L228-F235 HydrophobicContact CD1-CD1 4.2Å; L228-F235 HydrophobicContact CD1-CE1 3.71Å; L228-F235 HydrophobicContact CD1-CZ 4.47Å
229E96.5Very high95.6Very high58 Ų5853.1 Ų53.127%0.27128%0.278SS..EExtended strand (participates in β ladder)trans-76.8121.2174.7-173.6-176.2-126.900110.4T236 N238 I240E229-T236 HydrophobicContact CB-CG2 4.33Å; E229-T236 VanDerWaalsContact CB-OG1 3.27Å; E229-T236 WeakPolarHBondContact CB-OG1 3.31Å; E229-T236 HydrophobicContact CG-CG2 3.73Å; E229-T236 WeakPolarHBondContact CG-OG1 3.2Å; E229-T236 PolarHBondContact O-N 3.14Å; E229-T236 PolarHBondContact O-OG1 3.36Å; E229-T236 VanDerWaalsContact OE2-CB 3.29Å; E229-T236 WeakPolarHBondContact OE2-CB 2.76Å; E229-T236 PolarHBondContact OE2-OG1 3.37Å; E229-N238 HydrophobicContact CB-CB 4.21Å; E229-N238 PolarHBondContact N-O 3.07Å; E229-N238 WeakPolarHBondContact OE2-CB 3.36Å; E229-N238 PolarHBondContact OE2-ND2 3.31Å; E229-I240 HydrophobicContact CB-CD1 3.95Å; E229-I240 HydrophobicContact CB-CG1 3.61Å; E229-I240 HydrophobicContact CG-CD1 4.1Å; E229-I240 HydrophobicContact CG-CG1 4.09Å
230I94.8Very high95.5Very high75 Ų7549.2 Ų49.239%0.38527%0.268SS..EExtended strand (participates in β ladder)trans-120.3127.1179.7-61.7163.9000108.5A170 L173 L228 K234 F235A170-I230 HydrophobicContact CB-CD1 3.9Å; A170-I230 HydrophobicContact CB-CG1 4.05Å; A170-I230 HydrophobicContact CB-CG2 3.68Å; L173-I230 HydrophobicContact CD1-CD1 3.91Å; L228-I230 PolarHBondContact O-N 3.4Å; I230-K234 WeakPolarHBondContact CA-O 3.38Å; I230-F235 HydrophobicContact CD1-CE1 4.29Å; I230-F235 HydrophobicContact CG1-CD1 3.92Å; I230-F235 HydrophobicContact CG1-CE1 4.19Å
231M94.3Very high95.2Very high111 Ų11151.2 Ų51.255%0.54729%0.292SS..EExtended strand (participates in β ladder)trans-130.9134.2174.1-66.6-178.270.500109.2G233 K234 T236M231-G233 PolarHBondContact O-N 3.25Å; M231-G233 VanDerWaalsContact O-N 3.14Å; M231-K234 PolarHBondContact N-O 2.84Å; M231-K234 PolarHBondContact O-N 2.74Å; M231-K234 VanDerWaalsContact O-O 3.13Å; M231-T236 HydrophobicContact CB-CG2 3.82Å; M231-T236 HydrophobicContact CG-CG2 3.54Å; M231-T236 HydrophobicContact SD-CG2 3.77Å
232D94.2Very high95Very high164 Ų16454.8 Ų54.888%0.87731%0.309SS*.THydrogen-bonded Turntrans5138-179.9-55.5-40.3000113.7K234D232-K234 VanDerWaalsContact C-N 3.28Å; D232-K234 PolarHBondContact O-N 2.87Å
233G93.6Very high94.8Very high40 Ų4054.9 Ų54.941%0.41231%0.307SS..THydrogen-bonded Turntrans73.612.2-179.600000115A170 M231A170-G233 VanDerWaalsContact CB-O 3.27Å; A170-G233 WeakPolarHBondContact CB-O 3.45Å; A170-G233 PolarHBondContact N-O 3.08Å; M231-G233 PolarHBondContact O-N 3.25Å; M231-G233 VanDerWaalsContact O-N 3.14Å
234K95.9Very high94.7Very high117 Ų11753.7 Ų53.751%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-125.5150.6179.1-63.6-176.9178.3-172.40111.9A168 I230 M231 D232A168-K234 VanDerWaalsContact O-CA 3.32Å; A168-K234 WeakPolarHBondContact O-CA 3.37Å; I230-K234 WeakPolarHBondContact CA-O 3.38Å; M231-K234 PolarHBondContact N-O 2.84Å; M231-K234 PolarHBondContact O-N 2.74Å; M231-K234 VanDerWaalsContact O-O 3.13Å; D232-K234 VanDerWaalsContact C-N 3.28Å; D232-K234 PolarHBondContact O-N 2.87Å
235F96.2Very high94.5Very high5 Ų555.2 Ų55.22%0.02231%0.307CS..EExtended strand (participates in β ladder)trans-68.5132.1171.7-58.9-66.1000110.7I130 L165 G167 A168 A170 L173 L228 I230 G237I130-F235 HydrophobicContact CG2-CE2 4.15Å; I130-F235 HydrophobicContact CG2-CZ 4.22Å; L165-F235 HydrophobicContact CB-CB 4.42Å; L165-F235 HydrophobicContact CB-CD2 4.34Å; G167-F235 PolarHBondContact N-O 3.06Å; A168-F235 HydrophobicContact CB-CD2 4.01Å; A168-F235 WeakPolarHBondContact O-CD2 3.41Å; A168-F235 PolarHBondContact O-N 3.27Å; A170-F235 HydrophobicContact CB-CE1 4.31Å; A170-F235 HydrophobicContact CB-CZ 4.39Å; L173-F235 HydrophobicContact CD1-CE1 3.96Å; L173-F235 HydrophobicContact CD1-CZ 4.24Å; L173-F235 HydrophobicContact CD2-CE1 3.99Å; L173-F235 HydrophobicContact CD2-CZ 3.71Å; L173-F235 HydrophobicContact CG-CE1 3.92Å; L173-F235 HydrophobicContact CG-CZ 3.68Å; L228-F235 HydrophobicContact CB-CD1 4.35Å; L228-F235 HydrophobicContact CB-CE1 4.41Å; L228-F235 HydrophobicContact CD1-CD1 4.2Å; L228-F235 HydrophobicContact CD1-CE1 3.71Å; L228-F235 HydrophobicContact CD1-CZ 4.47Å; I230-F235 HydrophobicContact CD1-CE1 4.29Å; I230-F235 HydrophobicContact CG1-CD1 3.92Å; I230-F235 HydrophobicContact CG1-CE1 4.19Å; F235-G237 VanDerWaalsContact C-N 3.3Å
236T96.2Very high94.3Very high23 Ų2355.5 Ų55.514%0.14131%0.31CS..EExtended strand (participates in β ladder)trans-79.8-17.2175.6680000112.7K166 E229 M231 N238K166-T236 WeakPolarHBondContact CD-O 3.35Å; K166-T236 VanDerWaalsContact CG-O 3.26Å; K166-T236 WeakPolarHBondContact CG-O 3.23Å; E229-T236 HydrophobicContact CB-CG2 4.33Å; E229-T236 VanDerWaalsContact CB-OG1 3.27Å; E229-T236 WeakPolarHBondContact CB-OG1 3.31Å; E229-T236 HydrophobicContact CG-CG2 3.73Å; E229-T236 WeakPolarHBondContact CG-OG1 3.2Å; E229-T236 PolarHBondContact O-N 3.14Å; E229-T236 PolarHBondContact O-OG1 3.36Å; E229-T236 VanDerWaalsContact OE2-CB 3.29Å; E229-T236 WeakPolarHBondContact OE2-CB 2.76Å; E229-T236 PolarHBondContact OE2-OG1 3.37Å; M231-T236 HydrophobicContact CB-CG2 3.82Å; M231-T236 HydrophobicContact CG-CG2 3.54Å; M231-T236 HydrophobicContact SD-CG2 3.77Å; T236-N238 PolarHBondContact OG1-N 2.87Å; T236-N238 PolarHBondContact OG1-ND2 2.68Å
237G94.1Very high94.3Very high5 Ų560.7 Ų60.75%0.05233%0.334CS..EExtended strand (participates in β ladder)trans88.59.2-17200000114.3V162 A163 F235V162-G237 WeakPolarHBondContact O-CA 3.42Å; A163-G237 WeakPolarHBondContact CA-O 3.33Å; A163-G237 PolarHBondContact N-O 3.26Å; F235-G237 VanDerWaalsContact C-N 3.3Å
238N95.8Very high94.2Very high89 Ų8959.6 Ų59.648%0.47633%0.326SS..EExtended strand (participates in β ladder)trans-112.7161.7177.6-55.4-46.9000112.4E229 T236E229-N238 HydrophobicContact CB-CB 4.21Å; E229-N238 PolarHBondContact N-O 3.07Å; E229-N238 WeakPolarHBondContact OE2-CB 3.36Å; E229-N238 PolarHBondContact OE2-ND2 3.31Å; T236-N238 PolarHBondContact OG1-N 2.87Å; T236-N238 PolarHBondContact OG1-ND2 2.68Å
239V94.2Very high94.3Very high12 Ų1258.9 Ų58.97%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-110.2131.8170.8-177.50000108.4V162 N226 E227 I243V162-V239 HydrophobicContact CB-CG2 4.02Å; V162-V239 HydrophobicContact CG1-CG2 3.91Å; V162-V239 HydrophobicContact CG2-CG2 3.76Å; N226-V239 HydrophobicContact CB-CG1 3.85Å; E227-V239 CarbonylContact O-C 3.59Å; E227-V239 VanDerWaalsContact O-CA 3.28Å; E227-V239 WeakPolarHBondContact O-CA 3.28Å; E227-V239 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 HydrophobicContact CB-CD1 3.84Å; V239-I243 HydrophobicContact CG1-CD1 3.52Å; V239-I243 HydrophobicContact CG2-CD1 4.43Å
240I93.7Very high94.3Very high73 Ų7356.6 Ų56.637%0.37431%0.313SS..EExtended strand (participates in β ladder)trans-83.4139.3179.4-53.5-178.6000109.7E227 E229E227-I240 HydrophobicContact CB-CB 4.11Å; E227-I240 HydrophobicContact CG-CB 4.22Å; E227-I240 HydrophobicContact CG-CD1 4.18Å; E227-I240 HydrophobicContact CG-CG1 4.46Å; E227-I240 PolarHBondContact O-N 3.14Å; E229-I240 HydrophobicContact CB-CD1 3.95Å; E229-I240 HydrophobicContact CB-CG1 3.61Å; E229-I240 HydrophobicContact CG-CD1 4.1Å; E229-I240 HydrophobicContact CG-CG1 4.09Å
241G90.3Very high94.4Very high55 Ų5560 Ų6057%0.56733%0.326SS*.SBendtrans76.8-159.8170.400000114.8
242D90Very high94.5Very high129 Ų12954.8 Ų54.869%0.6930%0.3SS*.SBendtrans-73.8137.6178.2-71-28.4000110.6Y248D242-Y248 HydrophobicContact CB-CE2 4.04Å
243I93.7Very high94.7Very high18 Ų1847 Ų479%0.09226%0.258CS..  trans-76.9128.1178.5-59.2-65000109.6F154 T155 L158 N226 V239 D245F154-I243 HydrophobicContact CD1-CG2 4.24Å; F154-I243 HydrophobicContact CE1-CG2 3.93Å; T155-I243 HydrophobicContact CG2-CG1 4.05Å; L158-I243 HydrophobicContact CD2-CD1 4.25Å; L158-I243 HydrophobicContact CD2-CG2 3.95Å; N226-I243 WeakPolarHBondContact OD1-CA 3.4Å; V239-I243 HydrophobicContact CB-CD1 3.84Å; V239-I243 HydrophobicContact CG1-CD1 3.52Å; V239-I243 HydrophobicContact CG2-CD1 4.43Å; I243-D245 VanDerWaalsContact C-N 3.27Å; I243-D245 PolarHBondContact O-N 3.46Å
244V94.2Very high94.8Very high2 Ų247.9 Ų47.91%0.01226%0.256CS..  trans-76.680174.5-172.90000109.6F154 S204 V224 N226 Y248 K249F154-V244 WeakPolarHBondContact CE1-O 3.44Å; S204-V244 WeakPolarHBondContact O-CB 3.46Å; S204-V244 WeakPolarHBondContact O-CG1 3.49Å; V224-V244 HydrophobicContact CG1-CG2 3.78Å; N226-V244 PolarHBondContact OD1-N 3.03Å; V244-Y248 HydrophobicContact CB-CD1 4.29Å; V244-Y248 HydrophobicContact CB-CG 4.46Å; V244-Y248 HydrophobicContact CG1-CD1 3.82Å; V244-Y248 HydrophobicContact CG1-CG 4.28Å; V244-Y248 HydrophobicContact CG2-CD1 4.11Å; V244-Y248 HydrophobicContact CG2-CE1 4.24Å; V244-Y248 HydrophobicContact CG2-CG 4.48Å; V244-K249 HydrophobicContact CG1-CG 4.03Å
245D92.9Very high94.9Very high54 Ų5447.5 Ų47.529%0.28925%0.251SS..  trans-86.8-176.4174.774.812.6000112.8F154 I243 Q247 Y248 K249F154-D245 HydrophobicContact CD1-CB 3.9Å; F154-D245 HydrophobicContact CE1-CB 4.34Å; I243-D245 VanDerWaalsContact C-N 3.27Å; I243-D245 PolarHBondContact O-N 3.46Å; D245-Q247 VanDerWaalsContact C-N 3.27Å; D245-Q247 PolarHBondContact O-N 2.77Å; D245-Q247 WeakPolarHBondContact OD1-CA 3.49Å; D245-Q247 PolarHBondContact OD1-N 3.17Å; D245-Y248 WeakPolarHBondContact O-CB 3.45Å; D245-Y248 PolarHBondContact O-N 3.23Å; D245-Y248 VanDerWaalsContact O-N 3.16Å; D245-Y248 PolarHBondContact OD1-N 3.2Å; D245-K249 PolarHBondContact O-N 2.98Å
246A93Very high95Very high21 Ų2147.4 Ų47.417%0.17425%0.251CS..Hα-helixtrans-55.2-39.2-179.700000113.7A250 N275 P278A246-A250 PolarHBondContact O-N 3.27Å; A246-N275 VanDerWaalsContact CA-O 3.25Å; A246-N275 WeakPolarHBondContact CA-O 3.29Å; A246-N275 VanDerWaalsContact CA-OD1 3.28Å; A246-N275 WeakPolarHBondContact CA-OD1 3.3Å; A246-N275 WeakPolarHBondContact CB-O 3.39Å; A246-N275 WeakPolarHBondContact CB-OD1 3.06Å; A246-N275 PolarHBondContact N-OD1 3.32Å; A246-P278 HydrophobicContact CB-CG 3.82Å
247Q94.5Very high95Very high110 Ų11046.5 Ų46.551%0.51425%0.245SC..Hα-helixtrans-77.6-34.9-179.6-69-61.7-26.500111.2D245 A250 K251D245-Q247 VanDerWaalsContact C-N 3.27Å; D245-Q247 PolarHBondContact O-N 2.77Å; D245-Q247 WeakPolarHBondContact OD1-CA 3.49Å; D245-Q247 PolarHBondContact OD1-N 3.17Å; Q247-A250 PolarHBondContact O-N 3.37Å; Q247-K251 WeakPolarHBondContact O-CB 3.13Å; Q247-K251 VanDerWaalsContact O-CG 3.32Å; Q247-K251 WeakPolarHBondContact O-CG 3.07Å; Q247-K251 PolarHBondContact O-N 3.25Å
248Y95.7Very high95.1Very high75 Ų7553.7 Ų53.729%0.29428%0.278SS..Hα-helixtrans-61-44.9173.8-160.7-68.7000111V224 D242 V244 D245 A250 K251 T252V224-Y248 HydrophobicContact CB-CE1 4.43Å; V224-Y248 HydrophobicContact CG1-CD1 4.16Å; V224-Y248 HydrophobicContact CG1-CE1 3.37Å; D242-Y248 HydrophobicContact CB-CE2 4.04Å; V244-Y248 HydrophobicContact CB-CD1 4.29Å; V244-Y248 HydrophobicContact CB-CG 4.46Å; V244-Y248 HydrophobicContact CG1-CD1 3.82Å; V244-Y248 HydrophobicContact CG1-CG 4.28Å; V244-Y248 HydrophobicContact CG2-CD1 4.11Å; V244-Y248 HydrophobicContact CG2-CE1 4.24Å; V244-Y248 HydrophobicContact CG2-CG 4.48Å; D245-Y248 WeakPolarHBondContact O-CB 3.45Å; D245-Y248 PolarHBondContact O-N 3.23Å; D245-Y248 VanDerWaalsContact O-N 3.16Å; D245-Y248 PolarHBondContact OD1-N 3.2Å; Y248-A250 PolarHBondContact O-N 3.13Å; Y248-K251 PolarHBondContact O-N 3Å; Y248-T252 WeakPolarHBondContact CD1-OG1 3.09Å; Y248-T252 WeakPolarHBondContact CE1-OG1 3.09Å; Y248-T252 WeakPolarHBondContact O-CB 3.31Å; Y248-T252 PolarHBondContact O-N 3.04Å; Y248-T252 PolarHBondContact O-OG1 3.31Å
249K96.7Very high95.2Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-58-47.4174.8-68.1-170.1-176.2-161.70111.8D116 A203 V244 D245 T252 L253 D276 M279D116-K249 IonicContact OD1-NZ 2.88Å; D116-K249 PolarHBondContact OD1-NZ 3.47Å; D116-K249 IonicContact OD2-NZ 3.52Å; D116-K249 PolarHBondContact OD2-NZ 3.13Å; A203-K249 HydrophobicContact CB-CB 4.32Å; A203-K249 HydrophobicContact CB-CG 4.18Å; A203-K249 WeakPolarHBondContact O-CD 3.46Å; A203-K249 VanDerWaalsContact O-CE 3.29Å; A203-K249 WeakPolarHBondContact O-CE 3.01Å; A203-K249 PolarHBondContact O-NZ 2.99Å; V244-K249 HydrophobicContact CG1-CG 4.03Å; D245-K249 PolarHBondContact O-N 2.98Å; K249-T252 WeakPolarHBondContact O-CB 2.86Å; K249-T252 PolarHBondContact O-N 3.01Å; K249-L253 PolarHBondContact O-N 3.47Å; K249-D276 WeakPolarHBondContact CD-OD1 2.91Å; K249-D276 IonicContact NZ-OD1 2.67Å; K249-D276 PolarHBondContact NZ-OD1 3.5Å; K249-M279 HydrophobicContact CB-CB 4.15Å; K249-M279 HydrophobicContact CB-SD 4.11Å
250A96.2Very high95.3Very high10 Ų1056.9 Ų56.98%0.08329%0.287CS..Hα-helixtrans-62-45.8177.600000112.9A246 Q247 Y248 T252 L253 T254 P278A246-A250 PolarHBondContact O-N 3.27Å; Q247-A250 PolarHBondContact O-N 3.37Å; Y248-A250 PolarHBondContact O-N 3.13Å; A250-T252 VanDerWaalsContact C-N 3.26Å; A250-T252 PolarHBondContact O-N 3.29Å; A250-L253 PolarHBondContact O-N 2.91Å; A250-T254 PolarHBondContact O-N 2.86Å; A250-T254 PolarHBondContact O-OG1 2.95Å; A250-P278 HydrophobicContact CB-CB 3.92Å
251K96.8Very high95.4Very high147 Ų14762 Ų6264%0.63931%0.309SS*.Hα-helixtrans-61.7-35.4175.4-74.2175.8-178.2176.80112.1Q247 Y248 T254 R255Q247-K251 WeakPolarHBondContact O-CB 3.13Å; Q247-K251 VanDerWaalsContact O-CG 3.32Å; Q247-K251 WeakPolarHBondContact O-CG 3.07Å; Q247-K251 PolarHBondContact O-N 3.25Å; Y248-K251 PolarHBondContact O-N 3Å; K251-T254 PolarHBondContact O-N 2.97Å; K251-R255 VanDerWaalsContact O-CB 3.23Å; K251-R255 WeakPolarHBondContact O-CB 2.94Å; K251-R255 PolarHBondContact O-N 2.82Å
252T96.8Very high95.6Very high2 Ų260 Ų601%0.01229%0.285CS..Hα-helixtrans-62.1-45.1176.9-62.40000111A203 V224 Y248 K249 A250 T254 R255 L256A203-T252 HydrophobicContact CB-CG2 4.11Å; V224-T252 HydrophobicContact CB-CG2 4.44Å; V224-T252 HydrophobicContact CG2-CG2 3.83Å; Y248-T252 WeakPolarHBondContact CD1-OG1 3.09Å; Y248-T252 WeakPolarHBondContact CE1-OG1 3.09Å; Y248-T252 WeakPolarHBondContact O-CB 3.31Å; Y248-T252 PolarHBondContact O-N 3.04Å; Y248-T252 PolarHBondContact O-OG1 3.31Å; K249-T252 WeakPolarHBondContact O-CB 2.86Å; K249-T252 PolarHBondContact O-N 3.01Å; A250-T252 VanDerWaalsContact C-N 3.26Å; A250-T252 PolarHBondContact O-N 3.29Å; T252-T254 PolarHBondContact O-N 3.07Å; T252-R255 PolarHBondContact O-N 2.79Å; T252-L256 HydrophobicContact CG2-CD1 3.91Å; T252-L256 HydrophobicContact CG2-CG 4.31Å; T252-L256 WeakPolarHBondContact O-CB 3.22Å; T252-L256 WeakPolarHBondContact O-CG 3.01Å; T252-L256 PolarHBondContact O-N 2.9Å
253L97.5Very high95.8Very high0 Ų057.8 Ų57.80%028%0.278CS..Hα-helixtrans-58.3-49.5174.8-178.7151.1000111.8V114 K249 A250 R255 L256 A257 L264 T267 A269 M279 A283V114-L253 HydrophobicContact CB-CD1 4.24Å; V114-L253 HydrophobicContact CG2-CB 4.12Å; V114-L253 HydrophobicContact CG2-CD1 4.14Å; V114-L253 HydrophobicContact CG2-CG 4.04Å; K249-L253 PolarHBondContact O-N 3.47Å; A250-L253 PolarHBondContact O-N 2.91Å; L253-R255 PolarHBondContact O-N 2.78Å; L253-L256 PolarHBondContact O-N 2.92Å; L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 2.93Å; L253-A257 PolarHBondContact O-N 2.8Å; L253-L264 HydrophobicContact CD2-CD2 3.95Å; L253-T267 HydrophobicContact CD2-CG2 4.39Å; L253-A269 HydrophobicContact CD1-CB 3.8Å; L253-M279 HydrophobicContact CB-CG 4.27Å; L253-M279 HydrophobicContact CD1-CG 4.03Å; L253-A283 HydrophobicContact CD1-CB 3.72Å
254T97.1Very high95.8Very high59 Ų5960.9 Ų60.936%0.36229%0.294SS..Hα-helixtrans-64.9-40.8-179.4-50.90000112.2A250 K251 T252 A257 Q258 L264A250-T254 PolarHBondContact O-N 2.86Å; A250-T254 PolarHBondContact O-OG1 2.95Å; K251-T254 PolarHBondContact O-N 2.97Å; T252-T254 PolarHBondContact O-N 3.07Å; T254-A257 PolarHBondContact O-N 2.74Å; T254-Q258 PolarHBondContact O-N 3.38Å; T254-L264 HydrophobicContact CG2-CD2 4.45Å
255R97.4Very high95.8Very high109 Ų10964 Ų6441%0.41132%0.32SS..Hα-helixtrans-62.4-49.3177.6-178.8179.461.877.8-3.6111.5K251 T252 L253 A257 Q258 E259K251-R255 VanDerWaalsContact O-CB 3.23Å; K251-R255 WeakPolarHBondContact O-CB 2.94Å; K251-R255 PolarHBondContact O-N 2.82Å; T252-R255 PolarHBondContact O-N 2.79Å; L253-R255 PolarHBondContact O-N 2.78Å; R255-A257 VanDerWaalsContact C-N 3.35Å; R255-Q258 PolarHBondContact O-N 2.91Å; R255-E259 IonicContact NH1-OE2 3.63Å; R255-E259 PolarHBondContact NH1-OE2 3.01Å; R255-E259 WeakPolarHBondContact O-CB 2.99Å; R255-E259 PolarHBondContact O-N 3.45Å
256L97.6Very high95.8Very high3 Ų362.7 Ų62.72%0.01631%0.312CS..Hα-helixtrans-66.1-37.5179-68.8177.4000111.9L112 A201 A222 T252 L253 Q258 E259 Y260L112-L256 HydrophobicContact CD2-CB 3.72Å; A201-L256 HydrophobicContact CB-CD1 3.62Å; A222-L256 HydrophobicContact CB-CD1 3.97Å; A222-L256 HydrophobicContact CB-CD2 3.83Å; T252-L256 HydrophobicContact CG2-CD1 3.91Å; T252-L256 HydrophobicContact CG2-CG 4.31Å; T252-L256 WeakPolarHBondContact O-CB 3.22Å; T252-L256 WeakPolarHBondContact O-CG 3.01Å; T252-L256 PolarHBondContact O-N 2.9Å; L253-L256 PolarHBondContact O-N 2.92Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.01Å; L256-E259 PolarHBondContact O-N 3.12Å; L256-Y260 HydrophobicContact CB-CD2 4.32Å; L256-Y260 HydrophobicContact CB-CE2 4.11Å; L256-Y260 HydrophobicContact CD2-CE2 3.92Å; L256-Y260 WeakPolarHBondContact O-CD2 3.02Å; L256-Y260 PolarHBondContact O-N 3.34Å
257A97Very high96Very high3 Ų361.7 Ų61.73%0.02530%0.304CS..Hα-helixtrans-60.5-42.9174.400000111.3L112 L253 T254 R255 E261 I262 L264 T267L112-A257 HydrophobicContact CD2-CB 4.06Å; L253-A257 VanDerWaalsContact O-CB 3.29Å; L253-A257 WeakPolarHBondContact O-CB 2.93Å; L253-A257 PolarHBondContact O-N 2.8Å; T254-A257 PolarHBondContact O-N 2.74Å; R255-A257 VanDerWaalsContact C-N 3.35Å; A257-E261 PolarHBondContact O-N 3.29Å; A257-I262 PolarHBondContact O-N 2.82Å; A257-L264 HydrophobicContact CB-CD2 4.09Å; A257-T267 HydrophobicContact CB-CG2 3.84Å
258Q96.8Very high96Very high156 Ų15656.6 Ų56.673%0.72928%0.281SS*.Hα-helixtrans-67.5-44.6175.4-174.9178.3-0.200112.3T254 R255 L256 Y260 E261T254-Q258 PolarHBondContact O-N 3.38Å; R255-Q258 PolarHBondContact O-N 2.91Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.01Å; Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.68Å; Q258-E261 PolarHBondContact O-N 3.14Å
259E96.8Very high96Very high109 Ų10953 Ų5351%0.50927%0.267SS..Hα-helixtrans-60.7-38.4-179.6-173.5-178.5150.400112.5R255 L256R255-E259 IonicContact NH1-OE2 3.63Å; R255-E259 PolarHBondContact NH1-OE2 3.01Å; R255-E259 WeakPolarHBondContact O-CB 2.99Å; R255-E259 PolarHBondContact O-N 3.45Å; L256-E259 PolarHBondContact O-N 3.12Å
260Y95.9Very high95.9Very high60 Ų6053.3 Ų53.324%0.23527%0.268CS..THydrogen-bonded Turntrans-94.58.1178.2-57.5-45.2000114.1L112 K199 T221 L256 Q258 I262L112-Y260 HydrophobicContact CD1-CD2 4.44Å; K199-Y260 HydrophobicContact CB-CD2 4.13Å; K199-Y260 HydrophobicContact CB-CE2 4.36Å; K199-Y260 HydrophobicContact CG-CD2 3.93Å; K199-Y260 HydrophobicContact CG-CE2 4.38Å; K199-Y260 HydrophobicContact CG-CG 4.1Å; T221-Y260 HydrophobicContact CG2-CE1 4.01Å; T221-Y260 HydrophobicContact CG2-CE2 3.86Å; T221-Y260 VanDerWaalsContact CG2-CZ 3.44Å; T221-Y260 VanDerWaalsContact CG2-OH 3.28Å; T221-Y260 WeakPolarHBondContact CG2-OH 3.2Å; L256-Y260 HydrophobicContact CB-CD2 4.32Å; L256-Y260 HydrophobicContact CB-CE2 4.11Å; L256-Y260 HydrophobicContact CD2-CE2 3.92Å; L256-Y260 WeakPolarHBondContact O-CD2 3.02Å; L256-Y260 PolarHBondContact O-N 3.34Å; Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.68Å; Y260-I262 PolarHBondContact O-N 3.49Å
261E95.9Very high95.8Very high180 Ų18052.9 Ų52.984%0.84126%0.264SS*.THydrogen-bonded Turntrans56.334.7-179.3-55-177.4168.600113.8A257 Q258A257-E261 PolarHBondContact O-N 3.29Å; Q258-E261 PolarHBondContact O-N 3.14Å
262I95.7Very high95.6Very high12 Ų1246.7 Ų46.76%0.06224%0.238CC..  trans-97.5121.7179.5-66.3164.6000109.1L112 K199 A257 Y260 Q266 T267L112-I262 HydrophobicContact CB-CD1 3.77Å; L112-I262 HydrophobicContact CB-CG2 4.23Å; K199-I262 HydrophobicContact CG-CD1 4.14Å; A257-I262 PolarHBondContact O-N 2.82Å; Y260-I262 PolarHBondContact O-N 3.49Å; I262-Q266 HydrophobicContact CG2-CB 3.9Å; I262-T267 HydrophobicContact CG2-CG2 4.17Å
263P94.6Very high95.2Very high84 Ų8447.1 Ų47.155%0.54524%0.243SC..  trans-58.2141.5175-23.133000111.4A265 Q266P263-A265 PolarHBondContact O-N 2.69Å; P263-Q266 WeakPolarHBondContact O-CA 3.37Å; P263-Q266 PolarHBondContact O-N 3.49Å
264L93.9Very high94.7Very high82 Ų8250.5 Ų50.543%0.42927%0.271SS..G310 helixtrans-53.6-32.4178.5-73.9175.3000113L253 T254 A257 Q266 T267 G284L253-L264 HydrophobicContact CD2-CD2 3.95Å; T254-L264 HydrophobicContact CG2-CD2 4.45Å; A257-L264 HydrophobicContact CB-CD2 4.09Å; L264-Q266 PolarHBondContact O-N 3.14Å; L264-T267 HydrophobicContact CD2-CG2 4.46Å; L264-T267 WeakPolarHBondContact O-CB 3.43Å; L264-T267 PolarHBondContact O-N 3.38Å; L264-T267 VanDerWaalsContact O-N 3.1Å; L264-T267 PolarHBondContact O-OG1 3.44Å; L264-G284 VanDerWaalsContact O-CA 3.24Å; L264-G284 WeakPolarHBondContact O-CA 3.43Å; L264-G284 PolarHBondContact O-N 3.19Å
265A93Very high94.4Very high67 Ų6749.1 Ų49.155%0.55426%0.261SS*.G310 helixtrans-65.9-13.9175.300000114.9P263P263-A265 PolarHBondContact O-N 2.69Å
266Q93.7Very high94.2Very high27 Ų2744 Ų4413%0.12624%0.242CC..G310 helixtrans-105.121.3174.1-70.7-62.1-36.700112.3H106 T109 G111 L112 I262 P263 L264H106-Q266 PolarHBondContact O-OE1 2.83Å; T109-Q266 PolarHBondContact OG1-OE1 2.88Å; G111-Q266 VanDerWaalsContact CA-O 3.28Å; G111-Q266 WeakPolarHBondContact CA-O 3.37Å; L112-Q266 PolarHBondContact N-O 3.25Å; L112-Q266 VanDerWaalsContact N-O 3.15Å; I262-Q266 HydrophobicContact CG2-CB 3.9Å; P263-Q266 WeakPolarHBondContact O-CA 3.37Å; P263-Q266 PolarHBondContact O-N 3.49Å; L264-Q266 PolarHBondContact O-N 3.14Å
267T96Very high94Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-106.4145.9175.966.40000111.4L112 L253 A257 I262 L264 A283 G284 L285L112-T267 HydrophobicContact CB-CG2 4.24Å; L112-T267 HydrophobicContact CD2-CG2 4.41Å; L112-T267 CarbonylContact O-C 3.54Å; L112-T267 VanDerWaalsContact O-CA 3.26Å; L112-T267 WeakPolarHBondContact O-CA 3.34Å; L253-T267 HydrophobicContact CD2-CG2 4.39Å; A257-T267 HydrophobicContact CB-CG2 3.84Å; I262-T267 HydrophobicContact CG2-CG2 4.17Å; L264-T267 HydrophobicContact CD2-CG2 4.46Å; L264-T267 WeakPolarHBondContact O-CB 3.43Å; L264-T267 PolarHBondContact O-N 3.38Å; L264-T267 VanDerWaalsContact O-N 3.1Å; L264-T267 PolarHBondContact O-OG1 3.44Å; T267-A283 WeakPolarHBondContact OG1-CA 3.41Å; T267-G284 CarbonylContact O-C 3.56Å; T267-G284 WeakPolarHBondContact O-CA 3.31Å; T267-G284 PolarHBondContact O-N 2.97Å; T267-G284 VanDerWaalsContact O-N 3.08Å; T267-G284 PolarHBondContact OG1-N 2.75Å; T267-L285 PolarHBondContact O-N 2.79Å
268V95Very high93.9Very high3 Ų346 Ų462%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-123.1136.4174.3-176.90000108.8P105 L112 L113 V114 W198 I270 L285 I287P105-V268 HydrophobicContact CB-CG2 4.42Å; P105-V268 HydrophobicContact CG-CG2 3.84Å; L112-V268 PolarHBondContact O-N 3.15Å; L113-V268 WeakPolarHBondContact CA-O 3.49Å; L113-V268 HydrophobicContact CD1-CB 3.7Å; L113-V268 HydrophobicContact CD1-CG1 3.57Å; V114-V268 PolarHBondContact N-O 3.37Å; W198-V268 HydrophobicContact CH2-CG2 3.74Å; W198-V268 HydrophobicContact CZ3-CB 4.35Å; W198-V268 HydrophobicContact CZ3-CG2 3.65Å; V268-I270 HydrophobicContact CG1-CG1 4.32Å; V268-L285 CarbonylContact C-O 3.6Å; V268-L285 VanDerWaalsContact CA-O 3.25Å; V268-L285 WeakPolarHBondContact CA-O 3.12Å; V268-L285 HydrophobicContact CG1-CD2 4.41Å; V268-L285 HydrophobicContact CG2-CB 4.27Å; V268-L285 HydrophobicContact CG2-CD2 4.34Å; V268-I287 HydrophobicContact CG1-CD1 3.92Å; V268-I287 HydrophobicContact CG1-CG1 4.4Å
269A96Very high93.8Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-120.8132.517200000110.9V114 L253 M279 I280 A283 L285 I287V114-A269 CarbonylContact O-C 3.52Å; V114-A269 VanDerWaalsContact O-CA 3.23Å; V114-A269 WeakPolarHBondContact O-CA 3.37Å; L253-A269 HydrophobicContact CD1-CB 3.8Å; A269-M279 HydrophobicContact CB-CE 4.31Å; A269-M279 HydrophobicContact CB-CG 3.92Å; A269-I280 HydrophobicContact CB-CG1 4.39Å; A269-A283 HydrophobicContact CB-CB 3.51Å; A269-L285 PolarHBondContact N-O 2.9Å; A269-I287 PolarHBondContact O-N 2.83Å
270I95.3Very high93.7Very high7 Ų733.8 Ų33.84%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-121.5132.8176.1-53.8177.2000109.7L113 V114 M115 D116 T120 V268 M279 I287 Y289 L308L113-I270 HydrophobicContact CD1-CD1 3.67Å; L113-I270 HydrophobicContact CD1-CG1 3.77Å; L113-I270 HydrophobicContact CD2-CD1 4.36Å; V114-I270 PolarHBondContact O-N 2.86Å; M115-I270 CarbonylContact C-O 3.51Å; M115-I270 WeakPolarHBondContact CA-O 3.38Å; M115-I270 HydrophobicContact CB-CB 4.08Å; D116-I270 PolarHBondContact N-O 3.43Å; T120-I270 HydrophobicContact CG2-CB 4.33Å; T120-I270 HydrophobicContact CG2-CG2 3.69Å; V268-I270 HydrophobicContact CG1-CG1 4.32Å; I270-M279 WeakPolarHBondContact O-CE 3.34Å; I270-I287 WeakPolarHBondContact CA-O 2.84Å; I270-I287 HydrophobicContact CG1-CB 4.2Å; I270-I287 HydrophobicContact CG1-CD1 4.36Å; I270-Y289 HydrophobicContact CG2-CG 4.31Å; I270-L308 HydrophobicContact CD1-CD2 4.37Å; I270-L308 HydrophobicContact CG2-CD2 4.44Å
271G94Very high93.6Very high0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-163.3165.5170.200000112.4I287 A288 Y289G271-I287 PolarHBondContact N-O 2.68Å; G271-A288 CarbonylContact O-C 3.6Å; G271-A288 VanDerWaalsContact O-CA 3.32Å; G271-A288 WeakPolarHBondContact O-CA 3.35Å; G271-Y289 PolarHBondContact O-N 3.32Å
272D92.9Very high93.5Very high18 Ų1831 Ų3110%0.09619%0.19CC..SBendtrans-106.5-23.5-178.376-66.1000112.6Y289 A291D272-Y289 WeakPolarHBondContact CA-O 3.46Å; D272-Y289 VanDerWaalsContact CB-O 3.26Å; D272-Y289 WeakPolarHBondContact CB-O 3.47Å; D272-A291 WeakPolarHBondContact O-CA 3.47Å; D272-A291 WeakPolarHBondContact O-CB 3.41Å
273G88Confident93.5Very high10 Ų1031.2 Ų31.210%0.10319%0.194CC..SBendtrans-103.2166.6-163.900000114.9N275 D276G273-N275 PolarHBondContact O-N 3.43Å; G273-D276 WeakPolarHBondContact CA-OD2 3.19Å; G273-D276 PolarHBondContact N-OD2 3.03Å; G273-D276 PolarHBondContact O-N 2.87Å
274A87.1Confident93.3Very high71 Ų7128.5 Ų28.559%0.58718%0.181SC*.THydrogen-bonded Turntrans-65.7-23.6171.100000112.3D276 L277 V295A274-D276 PolarHBondContact O-N 3.12Å; A274-L277 HydrophobicContact CB-CD1 4.42Å; A274-L277 PolarHBondContact O-N 3.46Å; A274-V295 HydrophobicContact CB-CG2 4.41Å
275N89Confident93.2Very high30 Ų3025 Ų2516%0.1616%0.162CC..THydrogen-bonded Turntrans-68.1-24.3177.3-159.735.1000111.9F154 A246 G273F154-N275 WeakPolarHBondContact CE2-ND2 3.18Å; A246-N275 VanDerWaalsContact CA-O 3.25Å; A246-N275 WeakPolarHBondContact CA-O 3.29Å; A246-N275 VanDerWaalsContact CA-OD1 3.28Å; A246-N275 WeakPolarHBondContact CA-OD1 3.3Å; A246-N275 WeakPolarHBondContact CB-O 3.39Å; A246-N275 WeakPolarHBondContact CB-OD1 3.06Å; A246-N275 PolarHBondContact N-OD1 3.32Å; G273-N275 PolarHBondContact O-N 3.43Å
276D93.8Very high93.1Very high1 Ų122.4 Ų22.41%0.00514%0.142CC..THydrogen-bonded Turntrans-90.9-13.8-176.9-49.6-63.3000112.7K249 G273 A274 P278 M279 I280K249-D276 WeakPolarHBondContact CD-OD1 2.91Å; K249-D276 IonicContact NZ-OD1 2.67Å; K249-D276 PolarHBondContact NZ-OD1 3.5Å; G273-D276 WeakPolarHBondContact CA-OD2 3.19Å; G273-D276 PolarHBondContact N-OD2 3.03Å; G273-D276 PolarHBondContact O-N 2.87Å; A274-D276 PolarHBondContact O-N 3.12Å; D276-P278 VanDerWaalsContact C-N 3.32Å; D276-M279 HydrophobicContact CB-CE 4.37Å; D276-M279 WeakPolarHBondContact O-CA 3.32Å; D276-M279 WeakPolarHBondContact O-CB 3.4Å; D276-M279 PolarHBondContact O-N 3.32Å; D276-I280 HydrophobicContact CB-CD1 3.96Å; D276-I280 HydrophobicContact CB-CG1 4.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.04Å; D276-I280 PolarHBondContact O-N 3.23Å
277L93.2Very high93.1Very high16 Ų1621.1 Ų21.18%0.08414%0.136CC..Hα-helixtrans-52.1-41.6-177.3-75.3173.4000113.6A274 K281 V295 K298 T299A274-L277 HydrophobicContact CB-CD1 4.42Å; A274-L277 PolarHBondContact O-N 3.46Å; L277-K281 WeakPolarHBondContact O-CB 2.98Å; L277-K281 VanDerWaalsContact O-CG 3.23Å; L277-K281 WeakPolarHBondContact O-CG 3.38Å; L277-K281 PolarHBondContact O-N 2.85Å; L277-V295 HydrophobicContact CD2-CG1 3.91Å; L277-V295 HydrophobicContact CG-CG1 4.35Å; L277-K298 HydrophobicContact CD1-CD 3.76Å; L277-K298 HydrophobicContact CD2-CB 3.89Å; L277-T299 HydrophobicContact CD2-CG2 3.88Å
278P95.1Very high92.9Very high33 Ų3321.1 Ų21.121%0.21414%0.136CC..Hα-helixtrans-64.3-39.1174.4-25.939.2000113.5A246 A250 D276 K281 A282A246-P278 HydrophobicContact CB-CG 3.82Å; A250-P278 HydrophobicContact CB-CB 3.92Å; D276-P278 VanDerWaalsContact C-N 3.32Å; P278-K281 PolarHBondContact O-N 3.17Å; P278-A282 WeakPolarHBondContact O-CB 3.06Å; P278-A282 PolarHBondContact O-N 2.76Å; P278-A282 VanDerWaalsContact O-N 3.07Å
279M95.7Very high92.9Very high0 Ų021.1 Ų21.10%014%0.136CC..Hα-helixtrans-67.4-46.3176.7-177.6-177.869.200111.3V114 A203 K249 L253 A269 I270 D276 K281 A282 A283V114-M279 HydrophobicContact CB-SD 4.22Å; V114-M279 HydrophobicContact CG1-SD 3.66Å; A203-M279 HydrophobicContact CB-SD 4.22Å; K249-M279 HydrophobicContact CB-CB 4.15Å; K249-M279 HydrophobicContact CB-SD 4.11Å; L253-M279 HydrophobicContact CB-CG 4.27Å; L253-M279 HydrophobicContact CD1-CG 4.03Å; A269-M279 HydrophobicContact CB-CE 4.31Å; A269-M279 HydrophobicContact CB-CG 3.92Å; I270-M279 WeakPolarHBondContact O-CE 3.34Å; D276-M279 HydrophobicContact CB-CE 4.37Å; D276-M279 WeakPolarHBondContact O-CA 3.32Å; D276-M279 WeakPolarHBondContact O-CB 3.4Å; D276-M279 PolarHBondContact O-N 3.32Å; M279-K281 VanDerWaalsContact C-N 3.28Å; M279-K281 PolarHBondContact O-N 3.44Å; M279-A282 PolarHBondContact O-N 2.81Å; M279-A282 VanDerWaalsContact O-N 3.13Å; M279-A283 PolarHBondContact O-N 3.07Å
280I94.4Very high92.6Very high8 Ų825.5 Ų25.54%0.04116%0.156CC..Hα-helixtrans-56.6-42.6175.6-70.2174.8000110.9A269 D276 G286 T299A269-I280 HydrophobicContact CB-CG1 4.39Å; D276-I280 HydrophobicContact CB-CD1 3.96Å; D276-I280 HydrophobicContact CB-CG1 4.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.04Å; D276-I280 PolarHBondContact O-N 3.23Å; I280-G286 WeakPolarHBondContact O-CA 3.18Å; I280-T299 HydrophobicContact CD1-CG2 4.3Å; I280-T299 HydrophobicContact CG2-CG2 3.71Å
281K93.9Very high92.4Very high148 Ų14825.7 Ų25.764%0.64316%0.159SC*.Hα-helixtrans-73.3-26.4178.3-74.7176.6178.6-172.60114.2L277 P278 M279L277-K281 WeakPolarHBondContact O-CB 2.98Å; L277-K281 VanDerWaalsContact O-CG 3.23Å; L277-K281 WeakPolarHBondContact O-CG 3.38Å; L277-K281 PolarHBondContact O-N 2.85Å; P278-K281 PolarHBondContact O-N 3.17Å; M279-K281 VanDerWaalsContact C-N 3.28Å; M279-K281 PolarHBondContact O-N 3.44Å
282A94Very high91.9Very high35 Ų3531.4 Ų31.429%0.28918%0.184SC..Hα-helixtrans-79.7-22.918000000112.7P278 M279P278-A282 WeakPolarHBondContact O-CB 3.06Å; P278-A282 PolarHBondContact O-N 2.76Å; P278-A282 VanDerWaalsContact O-N 3.07Å; M279-A282 PolarHBondContact O-N 2.81Å; M279-A282 VanDerWaalsContact O-N 3.13Å
283A94.5Very high91.5Very high16 Ų1635.1 Ų35.113%0.13221%0.208CC..SBendtrans-73.5158.9179.900000113L253 T267 A269 M279 L285L253-A283 HydrophobicContact CD1-CB 3.72Å; T267-A283 WeakPolarHBondContact OG1-CA 3.41Å; A269-A283 HydrophobicContact CB-CB 3.51Å; M279-A283 PolarHBondContact O-N 3.07Å; A283-L285 VanDerWaalsContact C-N 3.27Å; A283-L285 WeakPolarHBondContact CB-O 3.31Å
284G91.3Very high91.4Very high27 Ų2742.7 Ų42.728%0.27824%0.239SC..SBendtrans-63.5-36.3168.900000111.9L264 T267L264-G284 VanDerWaalsContact O-CA 3.24Å; L264-G284 WeakPolarHBondContact O-CA 3.43Å; L264-G284 PolarHBondContact O-N 3.19Å; T267-G284 CarbonylContact O-C 3.56Å; T267-G284 WeakPolarHBondContact O-CA 3.31Å; T267-G284 PolarHBondContact O-N 2.97Å; T267-G284 VanDerWaalsContact O-N 3.08Å; T267-G284 PolarHBondContact OG1-N 2.75Å
285L91.4Very high91.4Very high8 Ų839.5 Ų39.54%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-133116.4170.7174.966.1000110.2I104 P105 T267 V268 A269 A283 I287 V301 W319I104-L285 HydrophobicContact CG2-CD2 4.26Å; P105-L285 HydrophobicContact CG-CB 4.13Å; T267-L285 PolarHBondContact O-N 2.79Å; V268-L285 CarbonylContact C-O 3.6Å; V268-L285 VanDerWaalsContact CA-O 3.25Å; V268-L285 WeakPolarHBondContact CA-O 3.12Å; V268-L285 HydrophobicContact CG1-CD2 4.41Å; V268-L285 HydrophobicContact CG2-CB 4.27Å; V268-L285 HydrophobicContact CG2-CD2 4.34Å; A269-L285 PolarHBondContact N-O 2.9Å; A283-L285 VanDerWaalsContact C-N 3.27Å; A283-L285 WeakPolarHBondContact CB-O 3.31Å; L285-I287 HydrophobicContact CD2-CD1 4.06Å; L285-I287 HydrophobicContact CD2-CG1 4.29Å; L285-I287 HydrophobicContact CG-CD1 4.36Å; L285-I287 HydrophobicContact CG-CG1 4.05Å; L285-V301 HydrophobicContact CD1-CB 4.41Å; L285-V301 HydrophobicContact CD1-CG2 3.68Å; L285-W319 HydrophobicContact CD2-CB 4.17Å; L285-W319 HydrophobicContact CD2-CD2 4.29Å; L285-W319 HydrophobicContact CD2-CG 4.01Å
286G92Very high91.3Very high13 Ų1338.7 Ų38.713%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-100129.6173.300000111.9I280I280-G286 WeakPolarHBondContact O-CA 3.18Å
287I92.4Very high90.8Very high0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-121.7121.6-178.1-56.2178.4000109.4V268 A269 I270 G271 L285 V301 I303 W319V268-I287 HydrophobicContact CG1-CD1 3.92Å; V268-I287 HydrophobicContact CG1-CG1 4.4Å; A269-I287 PolarHBondContact O-N 2.83Å; I270-I287 WeakPolarHBondContact CA-O 2.84Å; I270-I287 HydrophobicContact CG1-CB 4.2Å; I270-I287 HydrophobicContact CG1-CD1 4.36Å; G271-I287 PolarHBondContact N-O 2.68Å; L285-I287 HydrophobicContact CD2-CD1 4.06Å; L285-I287 HydrophobicContact CD2-CG1 4.29Å; L285-I287 HydrophobicContact CG-CD1 4.36Å; L285-I287 HydrophobicContact CG-CG1 4.05Å; I287-V301 HydrophobicContact CG1-CB 4.38Å; I287-V301 HydrophobicContact CG1-CG1 4.29Å; I287-V301 HydrophobicContact CG2-CG1 4.48Å; I287-I303 HydrophobicContact CG2-CD1 3.55Å; I287-I303 HydrophobicContact CG2-CG1 3.79Å; I287-W319 HydrophobicContact CD1-CD2 4.49Å; I287-W319 HydrophobicContact CD1-CH2 4.01Å; I287-W319 HydrophobicContact CD1-CZ2 3.76Å; I287-W319 HydrophobicContact CD1-CZ3 4.47Å
288A93.2Very high90.5Very high0 Ų051.6 Ų51.60%027%0.265CS..EExtended strand (participates in β ladder)trans-83.6116.2164.600000109.5G271 A291 V295 T299 V301 T302 I303G271-A288 CarbonylContact O-C 3.6Å; G271-A288 VanDerWaalsContact O-CA 3.32Å; G271-A288 WeakPolarHBondContact O-CA 3.35Å; A288-A291 HydrophobicContact CB-CB 3.73Å; A288-V295 HydrophobicContact CB-CG1 4.25Å; A288-T299 HydrophobicContact CB-CG2 3.8Å; A288-T299 WeakPolarHBondContact CB-OG1 3.08Å; A288-V301 PolarHBondContact N-O 3.09Å; A288-T302 HydrophobicContact CB-CG2 4.14Å; A288-T302 CarbonylContact O-C 3.5Å; A288-T302 WeakPolarHBondContact O-CA 3.47Å; A288-I303 PolarHBondContact O-N 2.9Å
289Y93.5Very high90Very high2 Ų250.8 Ų50.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-106.6118.6-178-177.6-102.8000110.5M183 I270 G271 D272 A291 I303 A306 D307 L308M183-Y289 HydrophobicContact CE-CE1 4.07Å; M183-Y289 HydrophobicContact CG-CE1 3.7Å; M183-Y289 HydrophobicContact SD-CE1 3.88Å; I270-Y289 HydrophobicContact CG2-CG 4.31Å; G271-Y289 PolarHBondContact O-N 3.32Å; D272-Y289 WeakPolarHBondContact CA-O 3.46Å; D272-Y289 VanDerWaalsContact CB-O 3.26Å; D272-Y289 WeakPolarHBondContact CB-O 3.47Å; Y289-A291 PolarHBondContact O-N 3.34Å; Y289-I303 HydrophobicContact CD2-CB 3.93Å; Y289-I303 HydrophobicContact CD2-CD1 4.16Å; Y289-I303 HydrophobicContact CD2-CG2 3.99Å; Y289-I303 HydrophobicContact CE2-CB 4.46Å; Y289-I303 HydrophobicContact CE2-CG2 4.01Å; Y289-A306 WeakPolarHBondContact CE2-O 3.49Å; Y289-D307 WeakPolarHBondContact OH-CA 3.49Å; Y289-L308 HydrophobicContact CD1-CD2 4.19Å; Y289-L308 HydrophobicContact CD2-CD2 3.92Å; Y289-L308 HydrophobicContact CE1-CD2 4.13Å; Y289-L308 HydrophobicContact CE1-CG 4.3Å; Y289-L308 HydrophobicContact CE2-CD2 3.88Å; Y289-L308 HydrophobicContact CE2-CG 4.18Å; Y289-L308 HydrophobicContact CG-CD2 4.09Å
290H91.1Very high89.1Confident93 Ų9357.9 Ų57.943%0.43129%0.293SS..SBendtrans48.530.1-178.7-71.6-151.6000112.7I303 A306H290-I303 PolarHBondContact CD2-O 3.15Å; H290-I303 PolarHBondContact N-O 2.77Å; H290-A306 PolarHBondContact NE2-O 3.43Å
291A89.6Confident88.8Confident10 Ų1057.7 Ų57.78%0.08329%0.292CS..  trans-76.5159.9-164.900000112.3D272 A288 Y289 V295 N296D272-A291 WeakPolarHBondContact O-CA 3.47Å; D272-A291 WeakPolarHBondContact O-CB 3.41Å; A288-A291 HydrophobicContact CB-CB 3.73Å; Y289-A291 PolarHBondContact O-N 3.34Å; A291-V295 HydrophobicContact CB-CB 3.89Å; A291-V295 HydrophobicContact CB-CG1 3.81Å; A291-N296 PolarHBondContact O-ND2 3.12Å
292K84.5Confident88.5Confident121 Ų12151.1 Ų51.153%0.52627%0.265SS..  trans-62.2150.2174.1-65.4171.2-175.4166.90110.5K294 V295 N296K292-K294 VanDerWaalsContact C-N 3.29Å; K292-K294 PolarHBondContact O-N 3.18Å; K292-K294 VanDerWaalsContact O-N 3.1Å; K292-V295 HydrophobicContact CB-CG2 4.43Å; K292-V295 WeakPolarHBondContact O-CA 3.43Å; K292-V295 WeakPolarHBondContact O-CB 3.36Å; K292-V295 PolarHBondContact O-N 3.18Å; K292-N296 PolarHBondContact O-N 3.32Å; K292-N296 VanDerWaalsContact O-N 3.11Å
293P84.6Confident88.4Confident95 Ų9549.6 Ų49.662%0.61725%0.252SS*.Hα-helixtrans-50.1-42.5-176.5-30.635.5000115V295 N296 E297P293-V295 PolarHBondContact O-N 2.88Å; P293-N296 PolarHBondContact O-N 2.93Å; P293-E297 WeakPolarHBondContact O-CG 3.29Å; P293-E297 PolarHBondContact O-N 3.28Å
294K84.2Confident88.1Confident169 Ų16953.8 Ų53.874%0.73526%0.264SS*.Hα-helixtrans-63.7-25.4177.9-69.2-175177.8178.50114.3K292K292-K294 VanDerWaalsContact C-N 3.29Å; K292-K294 PolarHBondContact O-N 3.18Å; K292-K294 VanDerWaalsContact O-N 3.1Å
295V87.7Confident87.9Confident4 Ų456.2 Ų56.22%0.02427%0.268CS..Hα-helixtrans-81.6-48.1176.5-179.80000108.5A274 L277 A288 A291 K292 P293 E297 K298 T299A274-V295 HydrophobicContact CB-CG2 4.41Å; L277-V295 HydrophobicContact CD2-CG1 3.91Å; L277-V295 HydrophobicContact CG-CG1 4.35Å; A288-V295 HydrophobicContact CB-CG1 4.25Å; A291-V295 HydrophobicContact CB-CB 3.89Å; A291-V295 HydrophobicContact CB-CG1 3.81Å; K292-V295 HydrophobicContact CB-CG2 4.43Å; K292-V295 WeakPolarHBondContact O-CA 3.43Å; K292-V295 WeakPolarHBondContact O-CB 3.36Å; K292-V295 PolarHBondContact O-N 3.18Å; P293-V295 PolarHBondContact O-N 2.88Å; V295-E297 PolarHBondContact O-N 3.29Å; V295-K298 PolarHBondContact O-N 2.93Å; V295-T299 HydrophobicContact CG1-CG2 4.36Å; V295-T299 PolarHBondContact O-N 3.42Å; V295-T299 PolarHBondContact O-OG1 2.95Å
296N87.2Confident87.6Confident14 Ų1455.9 Ų55.98%0.07527%0.267CS..Hα-helixtrans-52.8-40176.5-71.2-40.8000113.1A291 K292 P293 K298 T299 T302A291-N296 PolarHBondContact O-ND2 3.12Å; K292-N296 PolarHBondContact O-N 3.32Å; K292-N296 VanDerWaalsContact O-N 3.11Å; P293-N296 PolarHBondContact O-N 2.93Å; N296-K298 PolarHBondContact O-N 3.14Å; N296-T299 WeakPolarHBondContact CA-OG1 3.37Å; N296-T299 PolarHBondContact O-N 3.34Å; N296-T299 PolarHBondContact O-OG1 2.89Å; N296-T302 HydrophobicContact CB-CG2 3.86Å; N296-T302 WeakPolarHBondContact OD1-CG2 3.43Å
297E84.3Confident87.4Confident158 Ų15856.3 Ų56.374%0.73827%0.266SS*.THydrogen-bonded Turntrans-65.2-18.7177.9-73.8170.3-173.500114.1P293 V295P293-E297 WeakPolarHBondContact O-CG 3.29Å; P293-E297 PolarHBondContact O-N 3.28Å; V295-E297 PolarHBondContact O-N 3.29Å
298K85.1Confident87Confident129 Ų12956.6 Ų56.656%0.56127%0.267SS*.THydrogen-bonded Turntrans-105.80.8-175.8-67.2-178.5179.7-178.60113.4L277 V295 N296L277-K298 HydrophobicContact CD1-CD 3.76Å; L277-K298 HydrophobicContact CD2-CB 3.89Å; V295-K298 PolarHBondContact O-N 2.93Å; N296-K298 PolarHBondContact O-N 3.14Å
299T84.5Confident86.2Confident16 Ų1656.9 Ų56.910%0.09827%0.268CS..  trans-120.4137.7-174.852.30000110.8L277 I280 A288 V295 N296 T302L277-T299 HydrophobicContact CD2-CG2 3.88Å; I280-T299 HydrophobicContact CD1-CG2 4.3Å; I280-T299 HydrophobicContact CG2-CG2 3.71Å; A288-T299 HydrophobicContact CB-CG2 3.8Å; A288-T299 WeakPolarHBondContact CB-OG1 3.08Å; V295-T299 HydrophobicContact CG1-CG2 4.36Å; V295-T299 PolarHBondContact O-N 3.42Å; V295-T299 PolarHBondContact O-OG1 2.95Å; N296-T299 WeakPolarHBondContact CA-OG1 3.37Å; N296-T299 PolarHBondContact O-N 3.34Å; N296-T299 PolarHBondContact O-OG1 2.89Å; T299-T302 WeakPolarHBondContact OG1-CG2 3.13Å
300E78.5Confident84.5Confident150 Ų15056.8 Ų56.870%0.70127%0.268SS*.SBendtrans-71.1-36.2-177.7-174.7175.817700112.4P100P100-E300 HydrophobicContact CG-CG 3.94Å
301V86.7Confident82.7Confident4 Ų452.5 Ų52.52%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-117.1128.5177.6-175.70000109.4A99 P100 L285 I287 A288A99-V301 HydrophobicContact CB-CG1 4.27Å; P100-V301 HydrophobicContact CG-CG2 4.44Å; L285-V301 HydrophobicContact CD1-CB 4.41Å; L285-V301 HydrophobicContact CD1-CG2 3.68Å; I287-V301 HydrophobicContact CG1-CB 4.38Å; I287-V301 HydrophobicContact CG1-CG1 4.29Å; I287-V301 HydrophobicContact CG2-CG1 4.48Å; A288-V301 PolarHBondContact N-O 3.09Å
302T88.8Confident80.7Confident10 Ų1052.1 Ų52.16%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-128.6130.4178.561.40000109.3A288 N296 T299A288-T302 HydrophobicContact CB-CG2 4.14Å; A288-T302 CarbonylContact O-C 3.5Å; A288-T302 WeakPolarHBondContact O-CA 3.47Å; N296-T302 HydrophobicContact CB-CG2 3.86Å; N296-T302 WeakPolarHBondContact OD1-CG2 3.43Å; T299-T302 WeakPolarHBondContact OG1-CG2 3.13Å
303I90.5Very high78.7Confident3 Ų346.4 Ų46.42%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-109.6115.5171-54.7172.5000106.6I287 A288 Y289 H290 A306 W319I287-I303 HydrophobicContact CG2-CD1 3.55Å; I287-I303 HydrophobicContact CG2-CG1 3.79Å; A288-I303 PolarHBondContact O-N 2.9Å; Y289-I303 HydrophobicContact CD2-CB 3.93Å; Y289-I303 HydrophobicContact CD2-CD1 4.16Å; Y289-I303 HydrophobicContact CD2-CG2 3.99Å; Y289-I303 HydrophobicContact CE2-CB 4.46Å; Y289-I303 HydrophobicContact CE2-CG2 4.01Å; H290-I303 PolarHBondContact CD2-O 3.15Å; H290-I303 PolarHBondContact N-O 2.77Å; I303-A306 HydrophobicContact CG2-CB 3.88Å; I303-W319 HydrophobicContact CD1-CH2 3.66Å; I303-W319 HydrophobicContact CD1-CZ2 4.33Å; I303-W319 HydrophobicContact CG1-CH2 4.41Å
304R88.6Confident76.5Confident104 Ų10444 Ų4439%0.39221%0.207SC..SBendtrans-109.4-27.9-176.6-64-166-177.3-171.8-2.1113.8H92 D97H92-R304 PolarHBondContact NE2-NE 2.82Å; D97-R304 PolarHBondContact OD1-N 3.42Å; D97-R304 PolarHBondContact OD2-N 2.98Å
305H87.5Confident74Confident77 Ų7736.8 Ų36.836%0.35618%0.179SC..SBendtrans-122.4-36.1-170.7-58.2-74.2000112.3H92 L96 D97H92-H305 PolarHBondContact O-NE2 3.44Å; L96-H305 PolarHBondContact O-CD2 3.05Å; D97-H305 IonicContact OD1-CD2 2.82Å; D97-H305 WeakPolarHBondContact OD2-CA 3.18Å; D97-H305 PolarHBondContact OD2-N 3.17Å
306A85.5Confident71.9Confident2 Ų237.1 Ų37.12%0.01718%0.181CC..SBendtrans-73.3158179.900000112.7Y43 Y74 D97 Y289 H290 I303Y43-A306 HydrophobicContact CD2-CB 4.46Å; Y43-A306 HydrophobicContact CE2-CB 3.94Å; Y74-A306 HydrophobicContact CD1-CB 4.2Å; Y74-A306 HydrophobicContact CE1-CB 3.42Å; Y74-A306 VanDerWaalsContact CE1-CB 3.42Å; Y74-A306 WeakPolarHBondContact OH-CA 3.28Å; D97-A306 PolarHBondContact OD2-N 2.87Å; Y289-A306 WeakPolarHBondContact CE2-O 3.49Å; H290-A306 PolarHBondContact NE2-O 3.43Å; I303-A306 HydrophobicContact CG2-CB 3.88Å
307D87Confident70.1Confident22 Ų2238.5 Ų38.512%0.11819%0.187CC..  trans-77.6-175170.266.529.7000110.8R45 Y74 P184 Y289 M309 G310R45-D307 IonicContact CZ-OD2 3.61Å; R45-D307 IonicContact NH2-OD2 3.55Å; R45-D307 PolarHBondContact NH2-OD2 2.8Å; Y74-D307 WeakPolarHBondContact CE2-OD1 3.28Å; Y74-D307 VanDerWaalsContact OH-CG 3.24Å; Y74-D307 PolarHBondContact OH-N 3.42Å; Y74-D307 PolarHBondContact OH-OD2 2.8Å; P184-D307 HydrophobicContact CB-CB 3.88Å; P184-D307 WeakPolarHBondContact O-CB 3.4Å; Y289-D307 WeakPolarHBondContact OH-CA 3.49Å; D307-M309 PolarHBondContact O-N 3.47Å; D307-M309 VanDerWaalsContact O-N 3.14Å; D307-M309 WeakPolarHBondContact OD1-CA 3.25Å; D307-M309 VanDerWaalsContact OD1-CB 3.26Å; D307-M309 WeakPolarHBondContact OD1-CB 2.9Å; D307-M309 PolarHBondContact OD1-N 3.46Å; D307-G310 WeakPolarHBondContact O-CA 3.29Å; D307-G310 PolarHBondContact O-N 3.33Å; D307-G310 PolarHBondContact OD1-N 2.83Å
308L84.3Confident67.8Low5 Ų531 Ų313%0.02615%0.152CC..THydrogen-bonded Turntrans-66.2-11.8-178.3-74.1171.1000114.4M183 P184 L186 L189 I270 Y289M183-L308 HydrophobicContact CB-CD1 3.77Å; M183-L308 HydrophobicContact CG-CD1 3.82Å; M183-L308 HydrophobicContact CG-CG 4.08Å; P184-L308 PolarHBondContact O-N 2.8Å; P184-L308 VanDerWaalsContact O-N 3.15Å; L186-L308 HydrophobicContact CB-CD1 3.73Å; L186-L308 HydrophobicContact CD1-CD1 3.97Å; L186-L308 HydrophobicContact CG-CD1 4.42Å; L189-L308 HydrophobicContact CD2-CB 4.15Å; I270-L308 HydrophobicContact CD1-CD2 4.37Å; I270-L308 HydrophobicContact CG2-CD2 4.44Å; Y289-L308 HydrophobicContact CD1-CD2 4.19Å; Y289-L308 HydrophobicContact CD2-CD2 3.92Å; Y289-L308 HydrophobicContact CE1-CD2 4.13Å; Y289-L308 HydrophobicContact CE1-CG 4.3Å; Y289-L308 HydrophobicContact CE2-CD2 3.88Å; Y289-L308 HydrophobicContact CE2-CG 4.18Å; Y289-L308 HydrophobicContact CG-CD2 4.09Å
309M77.7Confident65.7Low6 Ų625.9 Ų25.93%0.0313%0.129CC..THydrogen-bonded Turntrans-83.8-20.1170-65.3-64.4-64.500112.2E72 Q188 L189 K192 D307 G311 Q312E72-M309 HydrophobicContact CG-CE 4.1Å; Q188-M309 HydrophobicContact CB-CE 4.21Å; Q188-M309 HydrophobicContact CB-CG 4.04Å; Q188-M309 HydrophobicContact CB-SD 3.55Å; Q188-M309 VanDerWaalsContact CB-SD 3.55Å; L189-M309 HydrophobicContact CB-SD 3.96Å; L189-M309 PolarHBondContact N-SD 3Å; K192-M309 HydrophobicContact CD-CE 4.12Å; D307-M309 PolarHBondContact O-N 3.47Å; D307-M309 VanDerWaalsContact O-N 3.14Å; D307-M309 WeakPolarHBondContact OD1-CA 3.25Å; D307-M309 VanDerWaalsContact OD1-CB 3.26Å; D307-M309 WeakPolarHBondContact OD1-CB 2.9Å; D307-M309 PolarHBondContact OD1-N 3.46Å; M309-G311 PolarHBondContact O-N 3.16Å; M309-G311 VanDerWaalsContact O-N 3.14Å; M309-Q312 PolarHBondContact O-N 3.47Å
310G57.2Low63.4Low0 Ų026 Ų260%013%0.129CC..THydrogen-bonded Turntrans-55.1113.417700000112.4D307 W319D307-G310 WeakPolarHBondContact O-CA 3.29Å; D307-G310 PolarHBondContact O-N 3.33Å; D307-G310 PolarHBondContact OD1-N 2.83Å; G310-W319 WeakPolarHBondContact O-CH2 3.48Å
311G52.1Low61.1Low4 Ų420.9 Ų20.94%0.04111%0.108CC..THydrogen-bonded Turntrans103.5-017500000116.1M309 W319M309-G311 PolarHBondContact O-N 3.16Å; M309-G311 VanDerWaalsContact O-N 3.14Å; G311-W319 VanDerWaalsContact CA-CH2 3.41Å; G311-W319 VanDerWaalsContact O-CD2 3.24Å; G311-W319 WeakPolarHBondContact O-CZ3 3.24Å
312Q48.4Very low58.6Low1 Ų121.4 Ų21.41%0.00511%0.111CC..  trans-78.9135170.5-163.7-175.446.100111.6V71 M309 H317V71-Q312 HydrophobicContact CG1-CB 4.39Å; V71-Q312 WeakPolarHBondContact CG1-O 3.42Å; V71-Q312 WeakPolarHBondContact CG2-O 3.49Å; M309-Q312 PolarHBondContact O-N 3.47Å; Q312-H317 HydrophobicContact CG-CB 4.44Å; Q312-H317 WeakPolarHBondContact CG-O 3.07Å
313C42.6Very low55.7Low2 Ų223 Ų231%0.01412%0.12CC..BIsolated β-bridgetrans-74.1141.5173.4178.90000111.8A315 H317 A318 T321 I322C313-A315 VanDerWaalsContact C-N 3.28Å; C313-A315 PolarHBondContact O-N 2.78Å; C313-A315 PolarHBondContact SG-N 3.18Å; C313-H317 WeakPolarHBondContact O-CA 3.13Å; C313-H317 PolarHBondContact O-N 3.34Å; C313-H317 PolarHBondContact O-ND1 3.11Å; C313-A318 WeakPolarHBondContact CB-O 3.29Å; C313-A318 PolarHBondContact N-O 3.43Å; C313-T321 PolarHBondContact SG-O 2.9Å; C313-I322 HydrophobicContact CB-CD1 3.63Å; C313-I322 PolarHBondContact SG-O 3.2Å; C313-I322 VanDerWaalsContact SG-O 3.38Å
314S38.4Very low52.9Low45 Ų4525.4 Ų25.432%0.31513%0.132SC..THydrogen-bonded Turntrans-74.9-11.3-179.9460000114.7C70 H317C70-S314 WeakPolarHBondContact O-CB 3.38Å; C70-S314 PolarHBondContact O-OG 3.44Å; S314-H317 PolarHBondContact O-CE1 2.9Å
315A32.1Very low50Low17 Ų1724.3 Ų24.314%0.1414%0.136CC..THydrogen-bonded Turntrans-108.4-31.1-165.900000118C313 I322 T323 V325C313-A315 VanDerWaalsContact C-N 3.28Å; C313-A315 PolarHBondContact O-N 2.78Å; C313-A315 PolarHBondContact SG-N 3.18Å; A315-I322 VanDerWaalsContact C-CG2 3.45Å; A315-I322 HydrophobicContact CB-CB 3.82Å; A315-I322 HydrophobicContact CB-CG2 3.44Å; A315-I322 VanDerWaalsContact CB-CG2 3.44Å; A315-T323 WeakPolarHBondContact CB-O 3.49Å; A315-V325 HydrophobicContact CB-CB 3.99Å; A315-V325 HydrophobicContact CB-CG2 3.39Å
316C43.7Very low47.3Very low11 Ų1127.6 Ų27.67%0.07415%0.145CC..THydrogen-bonded Turntrans-13520.8156.1101.70000111.4L107 R108 A318 I322L107-C316 WeakPolarHBondContact CB-O 3.39Å; R108-C316 HydrophobicContact CG-CB 3.96Å; R108-C316 VanDerWaalsContact CG-SG 3.53Å; R108-C316 VanDerWaalsContact NE-CB 3.34Å; R108-C316 PolarHBondContact NE-SG 3.24Å; R108-C316 VanDerWaalsContact NE-SG 3.37Å; C316-A318 PolarHBondContact O-N 2.66Å; C316-I322 HydrophobicContact CB-CB 4.15Å; C316-I322 HydrophobicContact CB-CD1 3.54Å; C316-I322 HydrophobicContact CB-CG1 3.25Å; C316-I322 HydrophobicContact CB-CG2 3.86Å; C316-I322 WeakPolarHBondContact SG-CD1 3.47Å; C316-I322 WeakPolarHBondContact SG-CG1 3.3Å
317H47.9Very low44.6Very low43 Ų4335.6 Ų35.620%0.19919%0.187CC..BIsolated β-bridgetrans71.1-19.8170-52.2-41.8000114.3L107 K192 L196 Q312 C313 S314 W319L107-H317 HydrophobicContact CB-CB 4.17Å; L107-H317 HydrophobicContact CD1-CB 3.88Å; L107-H317 WeakPolarHBondContact CD1-O 3.25Å; L107-H317 HydrophobicContact CG-CB 4.45Å; K192-H317 WeakPolarHBondContact CE-CE1 3.2Å; K192-H317 WeakPolarHBondContact CE-ND1 3.34Å; L196-H317 HydrophobicContact CD1-CB 3.3Å; Q312-H317 HydrophobicContact CG-CB 4.44Å; Q312-H317 WeakPolarHBondContact CG-O 3.07Å; C313-H317 WeakPolarHBondContact O-CA 3.13Å; C313-H317 PolarHBondContact O-N 3.34Å; C313-H317 PolarHBondContact O-ND1 3.11Å; S314-H317 PolarHBondContact O-CE1 2.9Å; H317-W319 PolarHBondContact O-N 3.41Å
318A37.1Very low41.8Very low0 Ų038.9 Ų38.90%022%0.217CC..  trans-56143.1179.100000108.9L107 C313 C316 N320 T321 I322L107-A318 HydrophobicContact CB-CB 3.93Å; L107-A318 VanDerWaalsContact CB-N 3.26Å; L107-A318 VanDerWaalsContact CD1-CA 3.45Å; L107-A318 HydrophobicContact CG-CB 4.44Å; C313-A318 WeakPolarHBondContact CB-O 3.29Å; C313-A318 PolarHBondContact N-O 3.43Å; C316-A318 PolarHBondContact O-N 2.66Å; A318-N320 PolarHBondContact O-N 3.32Å; A318-N320 VanDerWaalsContact O-N 3.14Å; A318-T321 HydrophobicContact CB-CG2 4.26Å; A318-T321 WeakPolarHBondContact CB-OG1 3.48Å; A318-I322 HydrophobicContact CB-CD1 3.64Å
319W40.3Very low39.2Very low21 Ų2143.4 Ų43.48%0.0826%0.255CS..THydrogen-bonded Turntrans-55.8125153.5-70.481.5000106I104 L285 I287 I303 G310 G311 H317 T321I104-W319 VanDerWaalsContact CG2-C 3.43Å; I104-W319 HydrophobicContact CG2-CB 3.14Å; I104-W319 HydrophobicContact CG2-CG 4.41Å; I104-W319 WeakPolarHBondContact CG2-O 3.22Å; L285-W319 HydrophobicContact CD2-CB 4.17Å; L285-W319 HydrophobicContact CD2-CD2 4.29Å; L285-W319 HydrophobicContact CD2-CG 4.01Å; I287-W319 HydrophobicContact CD1-CD2 4.49Å; I287-W319 HydrophobicContact CD1-CH2 4.01Å; I287-W319 HydrophobicContact CD1-CZ2 3.76Å; I287-W319 HydrophobicContact CD1-CZ3 4.47Å; I303-W319 HydrophobicContact CD1-CH2 3.66Å; I303-W319 HydrophobicContact CD1-CZ2 4.33Å; I303-W319 HydrophobicContact CG1-CH2 4.41Å; G310-W319 WeakPolarHBondContact O-CH2 3.48Å; G311-W319 VanDerWaalsContact CA-CH2 3.41Å; G311-W319 VanDerWaalsContact O-CD2 3.24Å; G311-W319 WeakPolarHBondContact O-CZ3 3.24Å; H317-W319 PolarHBondContact O-N 3.41Å; W319-T321 VanDerWaalsContact C-N 3.31Å; W319-T321 PolarHBondContact O-N 3.17Å
320N37.5Very low36.9Very low20 Ų2048.1 Ų48.111%0.10729%0.289CS..THydrogen-bonded Turntrans57.231.9164.9-92.8-20.7000118.1L41 P100 L101 I104 A318L41-N320 WeakPolarHBondContact CD1-OD1 3.37Å; L41-N320 WeakPolarHBondContact CD2-OD1 3.36Å; L41-N320 WeakPolarHBondContact CG-OD1 3.36Å; P100-N320 PolarHBondContact O-ND2 3.37Å; L101-N320 HydrophobicContact CD2-CB 3.36Å; L101-N320 WeakPolarHBondContact CD2-OD1 3.34Å; L101-N320 HydrophobicContact CG-CB 4.22Å; L101-N320 VanDerWaalsContact CG-CG 3.43Å; L101-N320 WeakPolarHBondContact CG-OD1 3.37Å; I104-N320 HydrophobicContact CB-CB 4.27Å; I104-N320 HydrophobicContact CD1-CB 3.3Å; I104-N320 WeakPolarHBondContact CD1-ND2 3.2Å; I104-N320 HydrophobicContact CG1-CB 4.33Å; I104-N320 HydrophobicContact CG2-CB 4.19Å; A318-N320 PolarHBondContact O-N 3.32Å; A318-N320 VanDerWaalsContact O-N 3.14Å
321T29.5Very low35.6Very low42 Ų4253.2 Ų53.226%0.25832%0.322SS..  trans-121.5176.7153.265.30000109.2H106 C313 A318 W319H106-T321 VanDerWaalsContact ND1-CG2 3.31Å; H106-T321 WeakPolarHBondContact ND1-CG2 3.06Å; C313-T321 PolarHBondContact SG-O 2.9Å; A318-T321 HydrophobicContact CB-CG2 4.26Å; A318-T321 WeakPolarHBondContact CB-OG1 3.48Å; W319-T321 VanDerWaalsContact C-N 3.31Å; W319-T321 PolarHBondContact O-N 3.17Å
322I34.7Very low34.7Very low15 Ų1559.1 Ų59.18%0.07736%0.357CS..  trans81.7107.7160.5-26115.7000117.5C313 A315 C316 A318 Q476C313-I322 HydrophobicContact CB-CD1 3.63Å; C313-I322 PolarHBondContact SG-O 3.2Å; C313-I322 VanDerWaalsContact SG-O 3.38Å; A315-I322 VanDerWaalsContact C-CG2 3.45Å; A315-I322 HydrophobicContact CB-CB 3.82Å; A315-I322 HydrophobicContact CB-CG2 3.44Å; A315-I322 VanDerWaalsContact CB-CG2 3.44Å; C316-I322 HydrophobicContact CB-CB 4.15Å; C316-I322 HydrophobicContact CB-CD1 3.54Å; C316-I322 HydrophobicContact CB-CG1 3.25Å; C316-I322 HydrophobicContact CB-CG2 3.86Å; C316-I322 WeakPolarHBondContact SG-CD1 3.47Å; C316-I322 WeakPolarHBondContact SG-CG1 3.3Å; A318-I322 HydrophobicContact CB-CD1 3.64Å; I322-Q476 VanDerWaalsContact C-NE2 3.28Å; I322-Q476 PolarHBondContact O-NE2 2.66Å; I322-Q476 PolarHBondContact O-OE1 2.89Å
323T28.1Very low34Very low42 Ų4265.6 Ų65.626%0.25840%0.397SS..  53.3119.185.765.30000120.3A315 Q476A315-T323 WeakPolarHBondContact CB-O 3.49Å; T323-Q476 VanDerWaalsContact CA-CG 3.42Å; T323-Q476 VanDerWaalsContact CA-N 3.31Å; T323-Q476 HydrophobicContact CG2-CB 3.88Å; T323-Q476 VanDerWaalsContact N-NE2 3.14Å; T323-Q476 PolarHBondContact O-NE2 2.78Å
324E31Very low33.7Very low55 Ų5568.9 Ų68.926%0.25742%0.424SS..  trans-66.9135.8-165.9-178.4173.2163.800106.5R326 D474 Q476E324-R326 HydrophobicContact CG-CG 4.34Å; E324-R326 IonicContact OE1-CZ 3.44Å; E324-R326 IonicContact OE1-NE 2.88Å; E324-R326 PolarHBondContact OE1-NE 3.22Å; E324-R326 IonicContact OE1-NH2 3.94Å; E324-R326 PolarHBondContact OE1-NH2 3.02Å; E324-D474 CarbonylContact O-C 3.58Å; E324-Q476 HydrophobicContact CB-CG 3.74Å; E324-Q476 VanDerWaalsContact N-CD 3.28Å; E324-Q476 VanDerWaalsContact N-N 3.1Å; E324-Q476 VanDerWaalsContact N-NE2 3.13Å
325V27.1Very low33.5Very low80 Ų8077.1 Ų77.149%0.48545%0.448SS..  trans-120.4100.6172.3170.70000106.4A315A315-V325 HydrophobicContact CB-CB 3.99Å; A315-V325 HydrophobicContact CB-CG2 3.39Å
326R31.3Very low33.6Very low146 Ų14683.5 Ų83.555%0.55148%0.48SS*.  trans-82122.2163.1-71.7-172.1-169.9174.54.7108.3E324 A328 A473E324-R326 HydrophobicContact CG-CG 4.34Å; E324-R326 IonicContact OE1-CZ 3.44Å; E324-R326 IonicContact OE1-NE 2.88Å; E324-R326 PolarHBondContact OE1-NE 3.22Å; E324-R326 IonicContact OE1-NH2 3.94Å; E324-R326 PolarHBondContact OE1-NH2 3.02Å; R326-A328 PolarHBondContact O-N 2.82Å; R326-A473 HydrophobicContact CB-CB 4.49Å; R326-A473 HydrophobicContact CG-CB 4.49Å
327L28.6Very low33.4Very low170 Ų17089.4 Ų89.489%0.8951%0.507SS*.  trans-68.494.3170.1-70.4162.8000108.7
328A29.4Very low33.2Very low92 Ų9296.3 Ų96.376%0.7653%0.531SS*.  trans-65142160.300000109.3R326 S330R326-A328 PolarHBondContact O-N 2.82Å; A328-S330 PolarHBondContact O-N 3.01Å
329A29.5Very low33.5Very low99 Ų99104 Ų10482%0.81857%0.571SS**SBendtrans-51.5132.518000000112.7
330S29.2Very low33.5Very low105 Ų105105.8 Ų105.873%0.73459%0.587SS**  trans39.2109.8163.7-72.70000119.4A328 T332A328-S330 PolarHBondContact O-N 3.01Å; S330-T332 PolarHBondContact O-N 3.28Å
331P29.9Very low33.6Very low108 Ų108107.4 Ų107.470%0.70161%0.609SS**  trans-92.587.3176.735.5-29.4000111.2
332T31.8Very low34.6Very low127 Ų127112.2 Ų112.278%0.77962%0.623SS**SBendtrans-123.8-2.5167.745.40000115.4S330S330-T332 PolarHBondContact O-N 3.28Å
333V34.1Very low35.1Very low138 Ų138115.3 Ų115.384%0.83665%0.651SS**SBendtrans-134.6-22-175.7-164.60000116.2
334A36.3Very low35.8Very low71 Ų71115.3 Ų115.359%0.58766%0.66SS**  trans-100.41.8-168.400000117.2N336A334-N336 PolarHBondContact O-N 3.05Å; A334-N336 VanDerWaalsContact O-N 3.12Å
335R35.4Very low35.9Very low217 Ų217116.9 Ų116.982%0.81968%0.676SS**THydrogen-bonded Turntrans-70-10.2-169.4-117.9177.4-175.9175.30.6115.5
336N33Very low36.3Very low152 Ų152117.9 Ų117.981%0.81369%0.693SS**THydrogen-bonded Turntrans-93.2-10-178.2-99.3-6.3000115.4A334A334-N336 PolarHBondContact O-N 3.05Å; A334-N336 VanDerWaalsContact O-N 3.12Å
337E40.7Very low36.5Very low135 Ų135114.3 Ų114.363%0.63170%0.701SS**SBendtrans-87.7-24.3-175.6-68.2-168.6158.700113.9L339 S340E337-L339 PolarHBondContact O-N 2.84Å; E337-S340 PolarHBondContact O-N 2.77Å; E337-S340 PolarHBondContact O-OG 2.97Å
338R42.2Very low37.1Very low188 Ų188112.3 Ų112.371%0.70970%0.696SS**THydrogen-bonded Turntrans-68.9-14.2-176.7-69.8-179.1178.8-172-10.1114.1D474 R494R338-D474 IonicContact CZ-OD2 2.67Å; R338-D474 IonicContact NH1-OD2 3.63Å; R338-D474 IonicContact NH2-OD2 3.55Å; R338-D474 PolarHBondContact NH2-OD2 3.27Å; R338-D474 VanDerWaalsContact NH2-OD2 3.15Å; R338-R494 PolarHBondContact O-NH1 2.98Å
339L44.1Very low38.2Very low160 Ų160112.5 Ų112.584%0.83870%0.698SS**THydrogen-bonded Turntrans-107.54.3176.7-84.4126.8000114.1E337 G341E337-L339 PolarHBondContact O-N 2.84Å; L339-G341 PolarHBondContact O-N 3.02Å
340S39.7Very low39.3Very low59 Ų59116 Ų11641%0.41369%0.694SS.*  trans-71.1128.4176.565.40000110.6E337E337-S340 PolarHBondContact O-N 2.77Å; E337-S340 PolarHBondContact O-OG 2.97Å
341G39.3Very low41.4Very low55 Ų55118.1 Ų118.157%0.56770%0.703SS**  trans-64162.9-172.800000114L339 A343L339-G341 PolarHBondContact O-N 3.02Å; G341-A343 PolarHBondContact O-N 3.34Å
342Y51.6Low43.6Very low142 Ų142119.5 Ų119.556%0.55770%0.7SS**SBendtrans-61.13.8-178.4-92.3-92.5000116.5
343A44.5Very low45.9Very low80 Ų80120.6 Ų120.666%0.66169%0.694SS**SBendtrans-100.4124.8-179.900000109G341G341-A343 PolarHBondContact O-N 3.34Å
344G42.4Very low48.1Very low43 Ų43121.3 Ų121.344%0.44369%0.692SS.*  trans-50155.9-173.600000114.8A346 K497G344-A346 PolarHBondContact O-N 3.31Å; G344-K497 VanDerWaalsContact CA-O 3.31Å; G344-K497 WeakPolarHBondContact CA-O 3.38Å
345S34.5Very low50.3Low87 Ų87122.6 Ų122.661%0.60870%0.697SS**SBendtrans-67.394.3-174.3-59.90000112.8T498S345-T498 VanDerWaalsContact OG-CG2 3.3Å; S345-T498 WeakPolarHBondContact OG-CG2 3.4Å; S345-T498 PolarHBondContact OG-O 3.46Å
346A33.9Very low52.4Low102 Ų102117.3 Ų117.384%0.84369%0.685SS**SBendtrans-159.479.7146.200000109.5G344G344-A346 PolarHBondContact O-N 3.31Å
347G37Very low54Low70 Ų70114 Ų11472%0.72267%0.667SS**SBendtrans108146.1167.500000115.2A349G347-A349 PolarHBondContact O-N 3.2Å
348V40Very low55.5Low128 Ų128111.5 Ų111.578%0.77666%0.663SS**SBendtrans-35.8126.2167.4-1760000109.2K350V348-K350 VanDerWaalsContact C-N 3.29Å; V348-K350 PolarHBondContact O-N 3.45Å
349A53.8Low56.6Low96 Ų96110.9 Ų110.979%0.79367%0.674SS**  trans-52.193.117700000110G347G347-A349 PolarHBondContact O-N 3.2Å
350K52.4Low57.5Low172 Ų172111.1 Ų111.175%0.74867%0.67SS**  trans-93.5132.9176.9-81.1-175.5178.6-178.90107.2V348 Q352V348-K350 VanDerWaalsContact C-N 3.29Å; V348-K350 PolarHBondContact O-N 3.45Å; K350-Q352 PolarHBondContact O-N 3.43Å
351V72.2Confident58.6Low151 Ų151117.1 Ų117.192%0.91569%0.692SS**  trans-59.8120.3166.5179.30000107.5
352Q75.9Confident60.1Low136 Ų136119 Ų11964%0.63669%0.688SS**  trans-109.1145.8173.8-67.7179-49.600109K350K350-Q352 PolarHBondContact O-N 3.43Å
353K81.5Confident61.6Low150 Ų150116.9 Ų116.965%0.65269%0.692SS**  trans-74.1146.3169.4-63.7178.6178.5177.30108.7S355 D356K353-S355 WeakPolarHBondContact CB-OG 3.5Å; K353-S355 PolarHBondContact O-N 2.97Å; K353-S355 VanDerWaalsContact O-N 3.14Å; K353-D356 WeakPolarHBondContact CB-OD2 3.38Å; K353-D356 PolarHBondContact O-N 3Å
354L79.3Confident63.8Low153 Ų153117.5 Ų117.580%0.80168%0.677SS**G310 helixtrans-55.3-32.3176-177.461.4000112.4D356 I357L354-D356 PolarHBondContact O-N 2.86Å; L354-I357 HydrophobicContact CD1-CD1 4.26Å; L354-I357 PolarHBondContact O-N 2.97Å
355S83.7Confident66.2Low99 Ų99117.3 Ų117.369%0.69266%0.664SS**G310 helixtrans-63.9-21.9176.154.60000114.6K353K353-S355 WeakPolarHBondContact CB-OG 3.5Å; K353-S355 PolarHBondContact O-N 2.97Å; K353-S355 VanDerWaalsContact O-N 3.14Å
356D77.8Confident69.1Low105 Ų105116.1 Ų116.156%0.56166%0.656SS**G310 helixtrans-99.4-3.5-172.2-50.6-16.2000111.2K353 L354K353-D356 WeakPolarHBondContact CB-OD2 3.38Å; K353-D356 PolarHBondContact O-N 3Å; L354-D356 PolarHBondContact O-N 2.86Å
357I68.5Low72Confident84 Ų84111.3 Ų111.343%0.43162%0.616SS.*SBendtrans-85.2121.1178.2-58.6177.5000108.2L354 L359L354-I357 HydrophobicContact CD1-CD1 4.26Å; L354-I357 PolarHBondContact O-N 2.97Å; I357-L359 PolarHBondContact O-N 2.89Å
358S71.5Confident74.7Confident81 Ų81109.7 Ų109.757%0.56660%0.599SS**  trans-58.4131.3175.6-176.40000110.7E360S358-E360 VanDerWaalsContact C-N 3.27Å; S358-E360 WeakPolarHBondContact OG-CB 3.39Å; S358-E360 WeakPolarHBondContact OG-CG 3.31Å; S358-E360 PolarHBondContact OG-N 3.24Å
359L64.8Low77.3Confident176 Ų176103.9 Ų103.992%0.92156%0.563SS**  trans-86.95.5173.8-64.5175.4000112.6I357 E361I357-L359 PolarHBondContact O-N 2.89Å; L359-E361 PolarHBondContact O-N 3.44Å
360E64.3Low79.2Confident164 Ų164107.4 Ų107.477%0.76656%0.561SS**PPolyproline II helixtrans-57.3137177.1-73.7175.9172.800110.8S358 L362S358-E360 VanDerWaalsContact C-N 3.27Å; S358-E360 WeakPolarHBondContact OG-CB 3.39Å; S358-E360 WeakPolarHBondContact OG-CG 3.31Å; S358-E360 PolarHBondContact OG-N 3.24Å; E360-L362 PolarHBondContact O-N 2.97Å
361E62.5Low81.1Confident185 Ų18599.7 Ų99.786%0.86453%0.528SS*.PPolyproline II helixtrans-57.5129.2177.4-74.1-172.2165.100109.8L359L359-E361 PolarHBondContact O-N 3.44Å
362L69.3Low82.2Confident94 Ų9492.7 Ų92.749%0.49249%0.485SS..PPolyproline II helixtrans-53.4133.1173-71.3165.8000108.8E360 R364 V381 F549E360-L362 PolarHBondContact O-N 2.97Å; L362-R364 PolarHBondContact O-N 2.74Å; L362-V381 HydrophobicContact CB-CG1 4.36Å; L362-V381 HydrophobicContact CD1-CG1 4.21Å; L362-F549 HydrophobicContact CD1-CD1 3.95Å; L362-F549 HydrophobicContact CD1-CE1 4.2Å
363P83Confident83.1Confident98 Ų9887 Ų8764%0.63646%0.459SS*.PPolyproline II helixtrans-59.9130.9178.524.3-32.8000109.4P382P363-P382 WeakPolarHBondContact O-CD 3.3Å
364R91.4Very high83.5Confident93 Ų9384.3 Ų84.335%0.35145%0.445SS..  trans-120.6147.4177-65.8174.2-166.6-102.65.9110.2L362 L376 G377 V380 V381 F549L362-R364 PolarHBondContact O-N 2.74Å; R364-L376 PolarHBondContact NH1-O 2.8Å; R364-G377 PolarHBondContact NH1-O 3.01Å; R364-V380 VanDerWaalsContact CA-O 3.31Å; R364-V380 WeakPolarHBondContact CA-O 3.49Å; R364-V381 HydrophobicContact CG-CG2 4.05Å; R364-F549 PolarHBondContact NH1-O 2.82Å; R364-F549 PolarHBondContact NH2-O 2.95Å
365F94.2Very high84.1Confident40 Ų4077 Ų7718%0.17541%0.406CS..BIsolated β-bridgetrans-115.3144.6165.461.8-89.9000110.2V380 P382 L407 M411 L461 A502F365-V380 HydrophobicContact CD1-CB 4.26Å; F365-V380 HydrophobicContact CD2-CB 4.01Å; F365-V380 HydrophobicContact CD2-CG2 4.38Å; F365-V380 HydrophobicContact CE1-CB 3.85Å; F365-V380 HydrophobicContact CE1-CG1 3.71Å; F365-V380 HydrophobicContact CE2-CB 3.56Å; F365-V380 HydrophobicContact CE2-CG1 3.86Å; F365-V380 HydrophobicContact CE2-CG2 3.87Å; F365-V380 HydrophobicContact CG-CB 4.34Å; F365-V380 HydrophobicContact CZ-CB 3.49Å; F365-V380 VanDerWaalsContact CZ-CB 3.49Å; F365-V380 HydrophobicContact CZ-CG1 3.3Å; F365-V380 HydrophobicContact CZ-CG2 4.2Å; F365-V380 PolarHBondContact N-O 3.45Å; F365-V380 PolarHBondContact O-N 3.29Å; F365-P382 HydrophobicContact CD1-CG 4.38Å; F365-P382 HydrophobicContact CE1-CG 4.36Å; F365-L407 HydrophobicContact CD2-CD1 4.31Å; F365-L407 HydrophobicContact CE2-CD1 4.08Å; F365-M411 HydrophobicContact CD2-CE 4.03Å; F365-M411 HydrophobicContact CD2-SD 4.04Å; F365-M411 HydrophobicContact CE1-CE 4.25Å; F365-M411 HydrophobicContact CE2-CE 3.74Å; F365-M411 HydrophobicContact CE2-SD 4.23Å; F365-M411 HydrophobicContact CG-CE 4.39Å; F365-M411 HydrophobicContact CZ-CE 3.85Å; F365-L461 HydrophobicContact CE2-CB 4.44Å; F365-L461 HydrophobicContact CE2-CD2 4.36Å; F365-L461 HydrophobicContact CZ-CB 4.23Å; F365-L461 HydrophobicContact CZ-CD1 4.39Å; F365-A502 HydrophobicContact CE1-CB 4.23Å; F365-A502 HydrophobicContact CZ-CB 3.94Å
366S95.4Very high84.6Confident61 Ų6172.6 Ų72.643%0.42738%0.375SS..  trans-70.8146.4177.2174.70000110.4G368 D373 L407S366-G368 PolarHBondContact O-N 3.06Å; S366-G368 PolarHBondContact OG-N 3.46Å; S366-D373 VanDerWaalsContact CB-OD2 3.26Å; S366-D373 WeakPolarHBondContact CB-OD2 3.47Å; S366-D373 PolarHBondContact OG-OD2 2.57Å; S366-L407 VanDerWaalsContact O-CD2 3.3Å; S366-L407 WeakPolarHBondContact O-CD2 3.41Å
367T94.8Very high85.2Confident2 Ų268.8 Ų68.81%0.01236%0.36CS..  trans-75.6-8.8168.360.10000112.6F369 F372 D373 L376 V380 T403T367-F369 VanDerWaalsContact C-N 3.25Å; T367-F369 PolarHBondContact OG1-N 2.94Å; T367-F369 PolarHBondContact OG1-O 3.46Å; T367-F369 VanDerWaalsContact OG1-O 3.13Å; T367-F372 HydrophobicContact CG2-CD1 3.59Å; T367-F372 HydrophobicContact CG2-CE1 3.86Å; T367-F372 HydrophobicContact CG2-CG 4.02Å; T367-F372 HydrophobicContact CG2-CZ 4.49Å; T367-D373 VanDerWaalsContact CB-OD1 3.31Å; T367-D373 WeakPolarHBondContact CB-OD1 3.27Å; T367-D373 VanDerWaalsContact CG2-OD1 3.32Å; T367-D373 WeakPolarHBondContact CG2-OD1 3.38Å; T367-D373 PolarHBondContact N-OD1 2.57Å; T367-D373 PolarHBondContact OG1-OD1 2.7Å; T367-L376 HydrophobicContact CG2-CD1 3.82Å; T367-V380 HydrophobicContact CG2-CG2 3.5Å; T367-V380 VanDerWaalsContact CG2-CG2 3.5Å; T367-T403 HydrophobicContact CG2-CG2 4.4Å
368G92.5Very high86.2Confident35 Ų3567.2 Ų67.236%0.36137%0.365SS..SBendtrans78.87.8-169.200000113.9S366 K406S366-G368 PolarHBondContact O-N 3.06Å; S366-G368 PolarHBondContact OG-N 3.46Å; G368-K406 PolarHBondContact O-NZ 3.03Å
369F94.5Very high87.3Confident6 Ų663.4 Ų63.43%0.02634%0.338CS..  trans-129117.4169.5-66.4-71.7000109.5T367 E371 F372 D373 L399 Q402 F558 E567T367-F369 VanDerWaalsContact C-N 3.25Å; T367-F369 PolarHBondContact OG1-N 2.94Å; T367-F369 PolarHBondContact OG1-O 3.46Å; T367-F369 VanDerWaalsContact OG1-O 3.13Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 2.84Å; F369-F372 HydrophobicContact CB-CB 3.83Å; F369-F372 PolarHBondContact O-N 3.42Å; F369-D373 WeakPolarHBondContact O-CB 3.03Å; F369-D373 PolarHBondContact O-N 2.94Å; F369-L399 HydrophobicContact CD2-CD1 4.1Å; F369-L399 HydrophobicContact CE2-CD1 4.1Å; F369-Q402 HydrophobicContact CE2-CB 3.98Å; F369-Q402 HydrophobicContact CZ-CB 3.9Å; F369-F558 HydrophobicContact CB-CE1 4.31Å; F369-F558 HydrophobicContact CD1-CE1 4.23Å; F369-F558 HydrophobicContact CG-CE1 4.29Å; F369-E567 WeakPolarHBondContact CA-OE2 3.49Å; F369-E567 HydrophobicContact CB-CG 4.27Å; F369-E567 HydrophobicContact CD1-CG 3.61Å; F369-E567 HydrophobicContact CE1-CG 4.43Å; F369-E567 HydrophobicContact CG-CG 4.4Å
370K93.6Very high88.8Confident170 Ų17055.2 Ų55.274%0.73930%0.295SS*.Hα-helixtrans-59.2-38.9178.6-63-178178.1-179.60113R374 E567K370-R374 WeakPolarHBondContact O-CB 3.15Å; K370-R374 PolarHBondContact O-N 2.95Å; K370-E567 VanDerWaalsContact CA-OE1 3.27Å; K370-E567 WeakPolarHBondContact CA-OE1 3.47Å; K370-E567 WeakPolarHBondContact CB-OE1 3.48Å; K370-E567 VanDerWaalsContact N-CD 3.34Å; K370-E567 PolarHBondContact N-OE1 2.94Å; K370-E567 PolarHBondContact N-OE2 3.38Å
371E92.5Very high90.2Very high11 Ų1147.8 Ų47.85%0.05126%0.261CS..Hα-helixtrans-67.7-37.7178.4-67.6-63109.200111.2F369 V375 G556 V557 F558 E567 R596F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 2.84Å; E371-V375 WeakPolarHBondContact O-CG2 3.25Å; E371-V375 PolarHBondContact O-N 3.16Å; E371-G556 VanDerWaalsContact OE2-CA 3.25Å; E371-G556 WeakPolarHBondContact OE2-CA 3.47Å; E371-V557 PolarHBondContact OE2-N 3.4Å; E371-F558 HydrophobicContact CB-CE1 4.23Å; E371-F558 HydrophobicContact CB-CE2 3.98Å; E371-F558 HydrophobicContact CB-CZ 3.67Å; E371-E567 HydrophobicContact CB-CG 4.33Å; E371-E567 HydrophobicContact CG-CB 3.96Å; E371-E567 HydrophobicContact CG-CG 4.11Å; E371-E567 WeakPolarHBondContact CG-OE1 3.36Å; E371-E567 PolarHBondContact N-OE1 3.15Å; E371-R596 IonicContact OE1-CZ 3.14Å; E371-R596 IonicContact OE1-NH1 2.85Å; E371-R596 PolarHBondContact OE1-NH1 2.87Å; E371-R596 IonicContact OE1-NH2 3.17Å; E371-R596 PolarHBondContact OE1-NH2 2.91Å; E371-R596 IonicContact OE2-CZ 3.95Å; E371-R596 IonicContact OE2-NH1 2.7Å; E371-R596 PolarHBondContact OE2-NH1 3.32Å; E371-R596 IonicContact OE2-NH2 3.32Å
372F95.1Very high91.7Very high3 Ų341.6 Ų41.61%0.01324%0.237CC..Hα-helixtrans-72.9-43.5175.9-167.2-171.7000110.7T367 F369 R374 V375 L376 I388 L399 L400 L542 F558T367-F372 HydrophobicContact CG2-CD1 3.59Å; T367-F372 HydrophobicContact CG2-CE1 3.86Å; T367-F372 HydrophobicContact CG2-CG 4.02Å; T367-F372 HydrophobicContact CG2-CZ 4.49Å; F369-F372 HydrophobicContact CB-CB 3.83Å; F369-F372 PolarHBondContact O-N 3.42Å; F372-R374 VanDerWaalsContact C-N 3.3Å; F372-R374 PolarHBondContact O-N 3.33Å; F372-V375 PolarHBondContact O-N 2.83Å; F372-V375 VanDerWaalsContact O-N 3.15Å; F372-L376 HydrophobicContact CD2-CD1 3.89Å; F372-L376 HydrophobicContact CD2-CG 3.89Å; F372-L376 HydrophobicContact CE2-CD1 3.65Å; F372-L376 HydrophobicContact CE2-CD2 3.96Å; F372-L376 HydrophobicContact CE2-CG 3.77Å; F372-L376 HydrophobicContact CZ-CD1 4.06Å; F372-L376 WeakPolarHBondContact O-CG 3.45Å; F372-L376 PolarHBondContact O-N 3.29Å; F372-I388 HydrophobicContact CE2-CD1 4.23Å; F372-I388 HydrophobicContact CZ-CD1 3.72Å; F372-L399 HydrophobicContact CD1-CD1 4.32Å; F372-L399 HydrophobicContact CD1-CD2 4.28Å; F372-L399 HydrophobicContact CD1-CG 4.32Å; F372-L399 HydrophobicContact CE1-CD2 4.3Å; F372-L399 HydrophobicContact CE1-CG 4.37Å; F372-L400 HydrophobicContact CE1-CD2 4.47Å; F372-L542 HydrophobicContact CB-CD2 4.35Å; F372-L542 HydrophobicContact CD2-CD2 3.42Å; F372-L542 VanDerWaalsContact CD2-CD2 3.42Å; F372-L542 HydrophobicContact CE2-CD2 3.97Å; F372-L542 HydrophobicContact CG-CD2 4.06Å; F372-F558 HydrophobicContact CB-CZ 4.15Å
373D94.9Very high92.7Very high17 Ų1737.7 Ų37.79%0.09122%0.22CC..Hα-helixtrans-57.7-43.1175.6-68.3-15.6000111.8S366 T367 F369 V375 L376 G377 G378 G379S366-D373 VanDerWaalsContact CB-OD2 3.26Å; S366-D373 WeakPolarHBondContact CB-OD2 3.47Å; S366-D373 PolarHBondContact OG-OD2 2.57Å; T367-D373 VanDerWaalsContact CB-OD1 3.31Å; T367-D373 WeakPolarHBondContact CB-OD1 3.27Å; T367-D373 VanDerWaalsContact CG2-OD1 3.32Å; T367-D373 WeakPolarHBondContact CG2-OD1 3.38Å; T367-D373 PolarHBondContact N-OD1 2.57Å; T367-D373 PolarHBondContact OG1-OD1 2.7Å; F369-D373 WeakPolarHBondContact O-CB 3.03Å; F369-D373 PolarHBondContact O-N 2.94Å; D373-V375 PolarHBondContact O-N 2.89Å; D373-L376 CarbonylContact O-C 3.55Å; D373-L376 PolarHBondContact O-N 3.44Å; D373-G377 PolarHBondContact O-N 2.73Å; D373-G377 VanDerWaalsContact O-N 3.13Å; D373-G378 CarbonylContact O-C 3.32Å; D373-G378 WeakPolarHBondContact O-CA 2.96Å; D373-G378 PolarHBondContact O-N 2.74Å; D373-G379 PolarHBondContact O-N 3.43Å; D373-G379 VanDerWaalsContact O-N 3.16Å
374R90.8Very high93.3Very high94 Ų9433 Ų3336%0.35519%0.19SC..Hα-helixtrans-54.7-51.3174.6176-178.7-65-93.4-1.4111.5K370 F372 L376 G377 E554 R596K370-R374 WeakPolarHBondContact O-CB 3.15Å; K370-R374 PolarHBondContact O-N 2.95Å; F372-R374 VanDerWaalsContact C-N 3.3Å; F372-R374 PolarHBondContact O-N 3.33Å; R374-L376 PolarHBondContact O-N 3.09Å; R374-G377 PolarHBondContact O-N 2.93Å; R374-E554 WeakPolarHBondContact CG-OE2 3.35Å; R374-R596 VanDerWaalsContact CZ-NH2 3.33Å
375V91.8Very high93.5Very high0 Ų028.6 Ų28.60%017%0.173CC..Hα-helixtrans-62.6-32.5-179.1175.40000111.9E371 F372 D373 G377 V529 L542 N547 E554E371-V375 WeakPolarHBondContact O-CG2 3.25Å; E371-V375 PolarHBondContact O-N 3.16Å; F372-V375 PolarHBondContact O-N 2.83Å; F372-V375 VanDerWaalsContact O-N 3.15Å; D373-V375 PolarHBondContact O-N 2.89Å; V375-G377 VanDerWaalsContact C-N 3.28Å; V375-G377 PolarHBondContact O-N 2.76Å; V375-V529 HydrophobicContact CG1-CB 4.36Å; V375-V529 HydrophobicContact CG1-CG1 3.48Å; V375-V529 VanDerWaalsContact CG1-CG1 3.48Å; V375-V529 HydrophobicContact CG1-CG2 3.89Å; V375-L542 HydrophobicContact CB-CD2 4.22Å; V375-L542 HydrophobicContact CG1-CD2 4.27Å; V375-L542 HydrophobicContact CG1-CG 4.23Å; V375-L542 HydrophobicContact CG2-CB 4.46Å; V375-L542 HydrophobicContact CG2-CD2 4.22Å; V375-L542 HydrophobicContact CG2-CG 4.34Å; V375-L542 VanDerWaalsContact CG2-O 3.32Å; V375-L542 WeakPolarHBondContact CG2-O 2.92Å; V375-N547 PolarHBondContact O-ND2 3.12Å; V375-E554 HydrophobicContact CG2-CB 4.45Å
376L94Very high93.5Very high6 Ų626.9 Ų26.93%0.03117%0.165CC..THydrogen-bonded Turntrans-80.4-2.7175.2-63.2179.9000114.1R364 T367 F372 D373 R374 V380 I386 V529 N547R364-L376 PolarHBondContact NH1-O 2.8Å; T367-L376 HydrophobicContact CG2-CD1 3.82Å; F372-L376 HydrophobicContact CD2-CD1 3.89Å; F372-L376 HydrophobicContact CD2-CG 3.89Å; F372-L376 HydrophobicContact CE2-CD1 3.65Å; F372-L376 HydrophobicContact CE2-CD2 3.96Å; F372-L376 HydrophobicContact CE2-CG 3.77Å; F372-L376 HydrophobicContact CZ-CD1 4.06Å; F372-L376 WeakPolarHBondContact O-CG 3.45Å; F372-L376 PolarHBondContact O-N 3.29Å; D373-L376 CarbonylContact O-C 3.55Å; D373-L376 PolarHBondContact O-N 3.44Å; R374-L376 PolarHBondContact O-N 3.09Å; L376-V380 HydrophobicContact CD1-CG2 3.68Å; L376-I386 HydrophobicContact CD1-CD1 4.28Å; L376-I386 HydrophobicContact CD2-CD1 4.01Å; L376-I386 HydrophobicContact CD2-CG1 4.48Å; L376-I386 HydrophobicContact CD2-CG2 3.97Å; L376-V529 HydrophobicContact CD2-CG2 4.16Å; L376-N547 VanDerWaalsContact C-ND2 3.25Å; L376-N547 PolarHBondContact O-ND2 3.04Å
377G89.8Confident93.4Very high25 Ų2524 Ų2426%0.25815%0.145SC..THydrogen-bonded Turntrans85.533.6-179.400000113.9R364 D373 R374 V375R364-G377 PolarHBondContact NH1-O 3.01Å; D373-G377 PolarHBondContact O-N 2.73Å; D373-G377 VanDerWaalsContact O-N 3.13Å; R374-G377 PolarHBondContact O-N 2.93Å; V375-G377 VanDerWaalsContact C-N 3.28Å; V375-G377 PolarHBondContact O-N 2.76Å
378G90.3Very high93.4Very high51 Ų5123.9 Ų23.953%0.52615%0.145SC..SBendtrans108.30.1178.400000115D373D373-G378 CarbonylContact O-C 3.32Å; D373-G378 WeakPolarHBondContact O-CA 2.96Å; D373-G378 PolarHBondContact O-N 2.74Å
379G94.2Very high93.2Very high1 Ų122.3 Ų22.31%0.0113%0.128CC..SBendtrans137.8-178.7-179.700000112.8D373D373-G379 PolarHBondContact O-N 3.43Å; D373-G379 VanDerWaalsContact O-N 3.16Å
380V95.9Very high92.7Very high3 Ų322 Ų222%0.01813%0.127CC..BIsolated β-bridgetrans-81.8129.2-177.6-175.60000110.4R364 F365 T367 L376 I386 A502R364-V380 VanDerWaalsContact CA-O 3.31Å; R364-V380 WeakPolarHBondContact CA-O 3.49Å; F365-V380 HydrophobicContact CD1-CB 4.26Å; F365-V380 HydrophobicContact CD2-CB 4.01Å; F365-V380 HydrophobicContact CD2-CG2 4.38Å; F365-V380 HydrophobicContact CE1-CB 3.85Å; F365-V380 HydrophobicContact CE1-CG1 3.71Å; F365-V380 HydrophobicContact CE2-CB 3.56Å; F365-V380 HydrophobicContact CE2-CG1 3.86Å; F365-V380 HydrophobicContact CE2-CG2 3.87Å; F365-V380 HydrophobicContact CG-CB 4.34Å; F365-V380 HydrophobicContact CZ-CB 3.49Å; F365-V380 VanDerWaalsContact CZ-CB 3.49Å; F365-V380 HydrophobicContact CZ-CG1 3.3Å; F365-V380 HydrophobicContact CZ-CG2 4.2Å; F365-V380 PolarHBondContact N-O 3.45Å; F365-V380 PolarHBondContact O-N 3.29Å; T367-V380 HydrophobicContact CG2-CG2 3.5Å; T367-V380 VanDerWaalsContact CG2-CG2 3.5Å; L376-V380 HydrophobicContact CD1-CG2 3.68Å; V380-I386 HydrophobicContact CG1-CD1 4.09Å; V380-A502 HydrophobicContact CG1-CB 3.44Å; V380-A502 VanDerWaalsContact CG1-CB 3.44Å
381V94.6Very high92Very high8 Ų817.5 Ų17.55%0.04811%0.111CC..PPolyproline II helixtrans-89127174.2179.50000109.3L362 R364 S384 F549L362-V381 HydrophobicContact CB-CG1 4.36Å; L362-V381 HydrophobicContact CD1-CG1 4.21Å; R364-V381 HydrophobicContact CG-CG2 4.05Å; V381-S384 VanDerWaalsContact O-CB 3.28Å; V381-S384 WeakPolarHBondContact O-CB 3.48Å; V381-S384 PolarHBondContact O-N 3.15Å; V381-S384 PolarHBondContact O-OG 3.29Å; V381-F549 HydrophobicContact CB-CD2 4.25Å; V381-F549 HydrophobicContact CB-CE2 4.39Å; V381-F549 HydrophobicContact CB-CG 4.33Å; V381-F549 HydrophobicContact CG1-CD1 4.34Å; V381-F549 HydrophobicContact CG1-CE1 4.22Å; V381-F549 HydrophobicContact CG1-CZ 4.36Å; V381-F549 HydrophobicContact CG2-CB 3.86Å; V381-F549 HydrophobicContact CG2-CD1 4.15Å; V381-F549 HydrophobicContact CG2-CD2 4.05Å; V381-F549 HydrophobicContact CG2-CG 3.76Å
382P92.5Very high91.3Very high55 Ų5521.5 Ų21.536%0.35714%0.138SC..THydrogen-bonded Turntrans-57145.6172.4-24.734.6000112.2P363 F365 S384P363-P382 WeakPolarHBondContact O-CD 3.3Å; F365-P382 HydrophobicContact CD1-CG 4.38Å; F365-P382 HydrophobicContact CE1-CG 4.36Å; P382-S384 PolarHBondContact O-N 3.15Å
383G92Very high90.6Very high12 Ų1224.7 Ų24.712%0.12417%0.171CC..THydrogen-bonded Turntrans68.218.4-178.900000115.2A496 K497 G500 V501G383-A496 WeakPolarHBondContact CA-O 3.15Å; G383-K497 WeakPolarHBondContact O-CG 3.36Å; G383-G500 PolarHBondContact N-O 2.67Å; G383-G500 VanDerWaalsContact N-O 3.13Å; G383-V501 VanDerWaalsContact CA-O 3.23Å; G383-V501 WeakPolarHBondContact CA-O 3.45Å; G383-V501 PolarHBondContact N-O 3.13Å
384S94.1Very high90.1Very high1 Ų124 Ų241%0.00717%0.168CC..  trans-101.3152.617868.20000113.1V381 P382 I503V381-S384 VanDerWaalsContact O-CB 3.28Å; V381-S384 WeakPolarHBondContact O-CB 3.48Å; V381-S384 PolarHBondContact O-N 3.15Å; V381-S384 PolarHBondContact O-OG 3.29Å; P382-S384 PolarHBondContact O-N 3.15Å; S384-I503 PolarHBondContact O-N 2.84Å
385A95.2Very high90Very high0 Ų019.9 Ų19.90%016%0.155CC..EExtended strand (participates in β ladder)trans-108.1118.6170.100000111.3T493 M505 I525 D526 C527A385-T493 HydrophobicContact CB-CG2 3.84Å; A385-T493 VanDerWaalsContact CB-OG1 3.3Å; A385-T493 WeakPolarHBondContact CB-OG1 3.27Å; A385-M505 HydrophobicContact CB-CE 3.88Å; A385-I525 HydrophobicContact CB-CG2 4.34Å; A385-D526 PolarHBondContact N-OD2 2.87Å; A385-D526 PolarHBondContact O-N 3.08Å; A385-C527 PolarHBondContact O-N 2.76Å; A385-C527 VanDerWaalsContact O-N 3.14Å
386I95.3Very high90Very high3 Ų320.1 Ų20.12%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-113.4130.8-178.3-56.4165.5000108.7L376 V380 I503 V504 M505 C527L376-I386 HydrophobicContact CD1-CD1 4.28Å; L376-I386 HydrophobicContact CD2-CD1 4.01Å; L376-I386 HydrophobicContact CD2-CG1 4.48Å; L376-I386 HydrophobicContact CD2-CG2 3.97Å; V380-I386 HydrophobicContact CG1-CD1 4.09Å; I386-I503 PolarHBondContact N-O 2.84Å; I386-V504 HydrophobicContact CB-CG1 4.46Å; I386-V504 HydrophobicContact CB-CG2 4.23Å; I386-V504 HydrophobicContact CD1-CG2 4.22Å; I386-V504 HydrophobicContact CG2-CG1 4.4Å; I386-V504 CarbonylContact O-C 3.6Å; I386-V504 WeakPolarHBondContact O-CA 3.36Å; I386-M505 PolarHBondContact O-N 2.93Å; I386-C527 CarbonylContact C-O 3.44Å; I386-C527 VanDerWaalsContact CA-O 3.3Å; I386-C527 WeakPolarHBondContact CA-O 3.2Å; I386-C527 HydrophobicContact CG1-CB 4.18Å; I386-C527 HydrophobicContact CG2-CB 4.4Å
387L94Very high89.9Confident1 Ų120.8 Ų20.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-105.8127.4171.6-178.770.8000109.7M505 P518 L521 I525 C527 V529L387-M505 CarbonylContact C-O 3.6Å; L387-M505 WeakPolarHBondContact CA-O 3.38Å; L387-M505 HydrophobicContact CD1-CB 4.09Å; L387-P518 HydrophobicContact CD2-CB 4.46Å; L387-L521 HydrophobicContact CD1-CD1 3.86Å; L387-L521 HydrophobicContact CD2-CB 3.85Å; L387-L521 HydrophobicContact CD2-CD1 4.08Å; L387-I525 HydrophobicContact CB-CD1 3.43Å; L387-I525 VanDerWaalsContact CB-CD1 3.43Å; L387-I525 HydrophobicContact CB-CG1 4.4Å; L387-I525 HydrophobicContact CD2-CD1 4.16Å; L387-I525 HydrophobicContact CG-CD1 4.47Å; L387-C527 PolarHBondContact N-O 3.24Å; L387-V529 PolarHBondContact O-N 3.13Å
388I92.9Very high90.1Very high0 Ų020.6 Ų20.60%016%0.155CC..EExtended strand (participates in β ladder)trans-106.2105.6168-57.3-174.5000109F372 K396 L400 V504 M505 G507 V529 L531F372-I388 HydrophobicContact CE2-CD1 4.23Å; F372-I388 HydrophobicContact CZ-CD1 3.72Å; I388-K396 HydrophobicContact CG2-CB 4.43Å; I388-K396 HydrophobicContact CG2-CD 4.3Å; I388-K396 HydrophobicContact CG2-CG 4.16Å; I388-L400 HydrophobicContact CD1-CD1 4.29Å; I388-L400 HydrophobicContact CD1-CD2 3.71Å; I388-L400 HydrophobicContact CD1-CG 4.15Å; I388-V504 HydrophobicContact CD1-CG1 3.75Å; I388-V504 HydrophobicContact CG1-CG1 3.8Å; I388-M505 PolarHBondContact N-O 2.86Å; I388-G507 PolarHBondContact O-N 2.84Å; I388-V529 CarbonylContact C-O 3.58Å; I388-V529 WeakPolarHBondContact CA-O 3.36Å; I388-L531 HydrophobicContact CG2-CB 4.44Å
389G89.2Confident90.4Very high1 Ų118.2 Ų18.21%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-83.4160.7170.500000112.3G507 V529 L531G389-G507 VanDerWaalsContact CA-O 3.27Å; G389-G507 WeakPolarHBondContact CA-O 3.28Å; G389-V529 PolarHBondContact N-O 3.3Å; G389-L531 PolarHBondContact O-N 2.97Å
390G83.6Confident90.5Very high1 Ų118.2 Ų18.21%0.0113%0.13CC..EExtended strand (participates in β ladder)trans158.4162165.400000112.9K396 G507 V509 L531G390-K396 PolarHBondContact O-NZ 2.88Å; G390-G507 PolarHBondContact N-O 2.73Å; G390-V509 PolarHBondContact O-N 2.81Å; G390-L531 WeakPolarHBondContact CA-O 3.29Å
391N78.5Confident90.5Very high75 Ų7518.1 Ų18.140%0.40113%0.129SC..  trans-58.6151.3177.6-67.4-25.7000111.2G393 A394 K396N391-G393 PolarHBondContact O-N 2.99Å; N391-A394 VanDerWaalsContact O-CB 3.25Å; N391-A394 WeakPolarHBondContact O-CB 3.44Å; N391-A394 PolarHBondContact O-N 2.82Å; N391-A394 VanDerWaalsContact O-N 3.14Å; N391-K396 PolarHBondContact O-NZ 2.61Å
392P77.9Confident90.5Very high95 Ų9518.2 Ų18.262%0.61713%0.129SC*.THydrogen-bonded Turntrans-51.9135.7166.6-24.734.7000110.5A394P392-A394 VanDerWaalsContact C-N 3.31Å; P392-A394 PolarHBondContact O-N 3.34Å
393G81Confident90.7Very high69 Ų6915.7 Ų15.771%0.71111%0.113SC*.THydrogen-bonded Turntrans81-4.1-177.500000116.3N391 G395N391-G393 PolarHBondContact O-N 2.99Å; G393-G395 PolarHBondContact O-N 3.26Å; G393-G395 VanDerWaalsContact O-N 3.14Å
394A83.6Confident90.9Very high2 Ų215.1 Ų15.12%0.01711%0.107CC..SBendtrans-62.5-21.4176.700000113.7N391 P392 L531 R540N391-A394 VanDerWaalsContact O-CB 3.25Å; N391-A394 WeakPolarHBondContact O-CB 3.44Å; N391-A394 PolarHBondContact O-N 2.82Å; N391-A394 VanDerWaalsContact O-N 3.14Å; P392-A394 VanDerWaalsContact C-N 3.31Å; P392-A394 PolarHBondContact O-N 3.34Å; A394-L531 HydrophobicContact CB-CD2 4.38Å; A394-L531 HydrophobicContact CB-CG 4.27Å; A394-L531 WeakPolarHBondContact CB-O 3.25Å; A394-L531 WeakPolarHBondContact O-CD2 3.09Å; A394-R540 VanDerWaalsContact O-CD 3.24Å; A394-R540 WeakPolarHBondContact O-CD 3.34Å; A394-R540 PolarHBondContact O-NE 2.7Å
395G89.7Confident91Very high8 Ų815.1 Ų15.18%0.08211%0.107CC..SBendtrans10717.4178.400000115.4G393 T398 L399 L531 L565G393-G395 PolarHBondContact O-N 3.26Å; G393-G395 VanDerWaalsContact O-N 3.14Å; G395-T398 WeakPolarHBondContact O-CB 3.33Å; G395-T398 PolarHBondContact O-N 2.95Å; G395-L399 PolarHBondContact O-N 3.43Å; G395-L531 VanDerWaalsContact C-CD2 3.49Å; G395-L565 WeakPolarHBondContact O-CD1 3.19Å
396K91.9Very high91Very high6 Ų619 Ų193%0.02612%0.124CC..Hα-helixtrans-56-57.8-177.2-56.3-175.7-60.5-740112.6I388 G390 N391 T398 L399 L400 V506 H508 L531I388-K396 HydrophobicContact CG2-CB 4.43Å; I388-K396 HydrophobicContact CG2-CD 4.3Å; I388-K396 HydrophobicContact CG2-CG 4.16Å; G390-K396 PolarHBondContact O-NZ 2.88Å; N391-K396 PolarHBondContact O-NZ 2.61Å; K396-T398 VanDerWaalsContact C-N 3.26Å; K396-T398 PolarHBondContact O-N 2.88Å; K396-L399 PolarHBondContact O-N 2.92Å; K396-L400 WeakPolarHBondContact O-CG 3.25Å; K396-L400 PolarHBondContact O-N 2.72Å; K396-L400 VanDerWaalsContact O-N 3.08Å; K396-V506 HydrophobicContact CB-CG1 4.15Å; K396-V506 HydrophobicContact CD-CG1 3.94Å; K396-H508 PolarHBondContact NZ-CD2 2.82Å; K396-H508 PolarHBondContact NZ-NE2 3Å; K396-L531 HydrophobicContact CG-CB 4.35Å; K396-L531 HydrophobicContact CG-CD2 4.12Å
397S92.5Very high91Very high19 Ų1919.3 Ų19.313%0.13313%0.125CC..Hα-helixtrans-62.7-33.6178.9-44.80000111.9L401 D465S397-L401 WeakPolarHBondContact O-CB 3.37Å; S397-L401 PolarHBondContact O-N 2.95Å; S397-D465 WeakPolarHBondContact CB-OD2 3.33Å; S397-D465 PolarHBondContact OG-OD2 3.19Å
398T93.6Very high91.1Very high22 Ų2219.6 Ų19.614%0.13513%0.128CC..Hα-helixtrans-63.7-49.1174.5-56.30000111.7G395 K396 L400 L401 Q402 L432 L565G395-T398 WeakPolarHBondContact O-CB 3.33Å; G395-T398 PolarHBondContact O-N 2.95Å; K396-T398 VanDerWaalsContact C-N 3.26Å; K396-T398 PolarHBondContact O-N 2.88Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.77Å; T398-L401 PolarHBondContact O-N 3.47Å; T398-Q402 WeakPolarHBondContact O-CB 3.16Å; T398-Q402 WeakPolarHBondContact O-CG 3.06Å; T398-Q402 PolarHBondContact O-N 3.38Å; T398-L432 HydrophobicContact CG2-CD1 4.15Å; T398-L565 HydrophobicContact CG2-CD1 4.5Å; T398-L565 HydrophobicContact CG2-CG 4.44Å
399L95.5Very high91.2Very high0 Ų023.5 Ų23.50%015%0.146CC..Hα-helixtrans-58.4-46.4177.617961.4000111.2F369 F372 G395 K396 T403 L542 F558 L565F369-L399 HydrophobicContact CD2-CD1 4.1Å; F369-L399 HydrophobicContact CE2-CD1 4.1Å; F372-L399 HydrophobicContact CD1-CD1 4.32Å; F372-L399 HydrophobicContact CD1-CD2 4.28Å; F372-L399 HydrophobicContact CD1-CG 4.32Å; F372-L399 HydrophobicContact CE1-CD2 4.3Å; F372-L399 HydrophobicContact CE1-CG 4.37Å; G395-L399 PolarHBondContact O-N 3.43Å; K396-L399 PolarHBondContact O-N 2.92Å; L399-T403 WeakPolarHBondContact O-CB 3.44Å; L399-T403 PolarHBondContact O-N 2.84Å; L399-T403 PolarHBondContact O-OG1 3.41Å; L399-L542 HydrophobicContact CD2-CD1 4.31Å; L399-L542 HydrophobicContact CD2-CD2 4.2Å; L399-F558 HydrophobicContact CD1-CE1 4.03Å; L399-F558 HydrophobicContact CD1-CZ 4.15Å; L399-L565 HydrophobicContact CB-CD1 3.68Å; L399-L565 HydrophobicContact CD1-CD1 4.42Å
400L96Very high91.4Very high1 Ų131.4 Ų31.41%0.00518%0.183CC..Hα-helixtrans-69.6-42.5-177.9-69.3177.5000112.4F372 I388 K396 T398 Q402 T403 L404 V463 V504 V506F372-L400 HydrophobicContact CE1-CD2 4.47Å; I388-L400 HydrophobicContact CD1-CD1 4.29Å; I388-L400 HydrophobicContact CD1-CD2 3.71Å; I388-L400 HydrophobicContact CD1-CG 4.15Å; K396-L400 WeakPolarHBondContact O-CG 3.25Å; K396-L400 PolarHBondContact O-N 2.72Å; K396-L400 VanDerWaalsContact O-N 3.08Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.77Å; L400-Q402 PolarHBondContact O-N 3.09Å; L400-T403 WeakPolarHBondContact O-CB 3.39Å; L400-T403 PolarHBondContact O-N 3.21Å; L400-L404 WeakPolarHBondContact O-CB 3.41Å; L400-L404 VanDerWaalsContact O-CD1 3.31Å; L400-L404 WeakPolarHBondContact O-CD1 3.23Å; L400-L404 PolarHBondContact O-N 3.14Å; L400-V463 HydrophobicContact CB-CG1 4.43Å; L400-V463 HydrophobicContact CB-CG2 4.31Å; L400-V463 HydrophobicContact CD1-CG1 3.89Å; L400-V463 HydrophobicContact CD1-CG2 4.32Å; L400-V463 HydrophobicContact CD2-CG2 4.19Å; L400-V504 HydrophobicContact CD1-CG1 4.12Å; L400-V504 HydrophobicContact CD2-CB 4.34Å; L400-V504 HydrophobicContact CD2-CG1 3.78Å; L400-V506 HydrophobicContact CD1-CG2 3.32Å
401L95.8Very high91.9Very high1 Ų132.6 Ų32.61%0.00519%0.188CC..Hα-helixtrans-60.9-45.7175.4-176.161.3000111.3S397 T398 T403 L404 C405 Y415 V425 R428 A429 L434 L439S397-L401 WeakPolarHBondContact O-CB 3.37Å; S397-L401 PolarHBondContact O-N 2.95Å; T398-L401 PolarHBondContact O-N 3.47Å; L401-T403 VanDerWaalsContact C-N 3.31Å; L401-T403 PolarHBondContact O-N 2.9Å; L401-L404 PolarHBondContact O-N 2.92Å; L401-C405 WeakPolarHBondContact O-CB 3.34Å; L401-C405 PolarHBondContact O-N 3.36Å; L401-C405 PolarHBondContact O-SG 2.97Å; L401-C405 VanDerWaalsContact O-SG 3.37Å; L401-Y415 HydrophobicContact CB-CE2 4.26Å; L401-Y415 HydrophobicContact CD1-CD2 4.37Å; L401-Y415 HydrophobicContact CD1-CE2 4.35Å; L401-V425 HydrophobicContact CD1-CG1 3.88Å; L401-V425 HydrophobicContact CD2-CG1 4.06Å; L401-R428 HydrophobicContact CD2-CB 4.33Å; L401-R428 HydrophobicContact CD2-CG 4.07Å; L401-A429 HydrophobicContact CD2-CB 4.1Å; L401-L434 HydrophobicContact CD2-CD1 4.47Å; L401-L434 HydrophobicContact CG-CD1 4.05Å; L401-L439 HydrophobicContact CD1-CD2 3.9Å
402Q96.2Very high92.7Very high11 Ų1133.2 Ų33.25%0.05119%0.187CC..Hα-helixtrans-60.5-40.5174.9-72.8-178.8-102.700112.4F369 T398 L400 K406 L432 L434 L565F369-Q402 HydrophobicContact CE2-CB 3.98Å; F369-Q402 HydrophobicContact CZ-CB 3.9Å; T398-Q402 WeakPolarHBondContact O-CB 3.16Å; T398-Q402 WeakPolarHBondContact O-CG 3.06Å; T398-Q402 PolarHBondContact O-N 3.38Å; L400-Q402 PolarHBondContact O-N 3.09Å; Q402-K406 WeakPolarHBondContact O-CG 3.46Å; Q402-K406 PolarHBondContact O-N 3.36Å; Q402-L432 HydrophobicContact CG-CD1 4.49Å; Q402-L434 HydrophobicContact CB-CD2 4.48Å; Q402-L434 HydrophobicContact CG-CD1 3.93Å; Q402-L434 HydrophobicContact CG-CD2 3.95Å; Q402-L565 PolarHBondContact NE2-O 3.16Å
403T96.5Very high93.6Very high2 Ų228.7 Ų28.71%0.01216%0.158CC..Hα-helixtrans-63.9-50.7177.5-60.70000110.7T367 L399 L400 L401 K406 L407T367-T403 HydrophobicContact CG2-CG2 4.4Å; L399-T403 WeakPolarHBondContact O-CB 3.44Å; L399-T403 PolarHBondContact O-N 2.84Å; L399-T403 PolarHBondContact O-OG1 3.41Å; L400-T403 WeakPolarHBondContact O-CB 3.39Å; L400-T403 PolarHBondContact O-N 3.21Å; L401-T403 VanDerWaalsContact C-N 3.31Å; L401-T403 PolarHBondContact O-N 2.9Å; T403-K406 PolarHBondContact O-N 3Å; T403-L407 HydrophobicContact CG2-CD1 3.94Å; T403-L407 WeakPolarHBondContact O-CG 3.29Å; T403-L407 PolarHBondContact O-N 3.26Å
404L96.9Very high94.4Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-68.2-42.4-176-93.367.9000112.2L400 L401 K406 L407 A408 Y415 L439 L461 V463L400-L404 WeakPolarHBondContact O-CB 3.41Å; L400-L404 VanDerWaalsContact O-CD1 3.31Å; L400-L404 WeakPolarHBondContact O-CD1 3.23Å; L400-L404 PolarHBondContact O-N 3.14Å; L401-L404 PolarHBondContact O-N 2.92Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 3.42Å; L404-A408 WeakPolarHBondContact O-CB 3.3Å; L404-A408 PolarHBondContact O-N 2.94Å; L404-Y415 HydrophobicContact CD2-CD2 3.86Å; L404-Y415 HydrophobicContact CD2-CG 4.28Å; L404-L439 HydrophobicContact CB-CD1 3.81Å; L404-L439 HydrophobicContact CD2-CD1 4.17Å; L404-L439 HydrophobicContact CG-CD1 4.44Å; L404-L461 HydrophobicContact CD1-CD2 3.7Å; L404-L461 HydrophobicContact CD1-CG 4.34Å; L404-L461 HydrophobicContact CG-CD2 4.31Å; L404-V463 HydrophobicContact CD1-CG2 3.39Å; L404-V463 HydrophobicContact CD2-CB 3.86Å; L404-V463 HydrophobicContact CD2-CG2 3.58Å; L404-V463 HydrophobicContact CG-CG2 4.13Å
405C95.8Very high95.1Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-57.9-41.1175.4-73.90000112.4L401 L434 P435L401-C405 WeakPolarHBondContact O-CB 3.34Å; L401-C405 PolarHBondContact O-N 3.36Å; L401-C405 PolarHBondContact O-SG 2.97Å; L401-C405 VanDerWaalsContact O-SG 3.37Å; C405-L434 HydrophobicContact CB-CB 3.9Å; C405-L434 HydrophobicContact CB-CD1 4.35Å; C405-P435 HydrophobicContact CB-CG 4.41Å; C405-P435 WeakPolarHBondContact CB-O 3.48Å
406K94.3Very high95.4Very high82 Ų8225.1 Ų25.136%0.35712%0.12SC..Hα-helixtrans-66.1-47.4176.2-74.9176.2177178.90111.7G368 Q402 T403 L404 Q409G368-K406 PolarHBondContact O-NZ 3.03Å; Q402-K406 WeakPolarHBondContact O-CG 3.46Å; Q402-K406 PolarHBondContact O-N 3.36Å; T403-K406 PolarHBondContact O-N 3Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.47Å; K406-Q409 WeakPolarHBondContact O-CB 3.45Å; K406-Q409 PolarHBondContact O-N 3.13Å
407L95.7Very high95.5Very high9 Ų924.8 Ų24.85%0.04712%0.119CC..Hα-helixtrans-71.6-30.8-177.2-68-178.8000113.1F365 S366 T403 L404 Q409 Q410 M411 T413 L461F365-L407 HydrophobicContact CD2-CD1 4.31Å; F365-L407 HydrophobicContact CE2-CD1 4.08Å; S366-L407 VanDerWaalsContact O-CD2 3.3Å; S366-L407 WeakPolarHBondContact O-CD2 3.41Å; T403-L407 HydrophobicContact CG2-CD1 3.94Å; T403-L407 WeakPolarHBondContact O-CG 3.29Å; T403-L407 PolarHBondContact O-N 3.26Å; L404-L407 PolarHBondContact O-N 3.42Å; L407-Q409 PolarHBondContact O-N 3.36Å; L407-Q410 PolarHBondContact O-N 3.32Å; L407-M411 HydrophobicContact CB-CG 4.1Å; L407-M411 HydrophobicContact CB-SD 4.16Å; L407-M411 HydrophobicContact CD1-SD 4.38Å; L407-M411 HydrophobicContact CD2-SD 4.23Å; L407-M411 HydrophobicContact CG-SD 4.5Å; L407-M411 WeakPolarHBondContact O-CG 3.46Å; L407-M411 PolarHBondContact O-N 2.85Å; L407-T413 HydrophobicContact CB-CG2 3.98Å; L407-L461 HydrophobicContact CD1-CD2 3.63Å
408A96.2Very high95.1Very high8 Ų825.1 Ų25.17%0.06613%0.126CC..THydrogen-bonded Turntrans-53.1-26.2174.400000113.1L404 Q410 M411 N438 L439L404-A408 WeakPolarHBondContact O-CB 3.3Å; L404-A408 PolarHBondContact O-N 2.94Å; A408-Q410 PolarHBondContact O-N 2.7Å; A408-M411 WeakPolarHBondContact CA-O 3.39Å; A408-N438 HydrophobicContact CB-CB 3.99Å; A408-N438 WeakPolarHBondContact O-CB 3.31Å; A408-L439 HydrophobicContact CB-CB 4.15Å
409Q94.5Very high94.4Very high82 Ų8228.8 Ų28.838%0.38314%0.141SC..THydrogen-bonded Turntrans-71.1-15.6177-54.6-53.1-49.300114K406 L407 P435 N438K406-Q409 WeakPolarHBondContact O-CB 3.45Å; K406-Q409 PolarHBondContact O-N 3.13Å; L407-Q409 PolarHBondContact O-N 3.36Å; Q409-P435 HydrophobicContact CG-CB 4.44Å; Q409-P435 HydrophobicContact CG-CG 4.3Å; Q409-N438 PolarHBondContact OE1-ND2 2.72Å
410Q93.6Very high93.9Very high167 Ų16731.3 Ų31.378%0.7815%0.153SC*.THydrogen-bonded Turntrans-126.9-21.3-173-59.8179.25.200112.9L407 A408L407-Q410 PolarHBondContact O-N 3.32Å; A408-Q410 PolarHBondContact O-N 2.7Å
411M94.1Very high93.5Very high25 Ų2533.4 Ų33.412%0.12317%0.167CC..SBendtrans-152.1152.8-174.853.7-169.2-71.100110.5F365 L407 A408 T413 K460 L461F365-M411 HydrophobicContact CD2-CE 4.03Å; F365-M411 HydrophobicContact CD2-SD 4.04Å; F365-M411 HydrophobicContact CE1-CE 4.25Å; F365-M411 HydrophobicContact CE2-CE 3.74Å; F365-M411 HydrophobicContact CE2-SD 4.23Å; F365-M411 HydrophobicContact CG-CE 4.39Å; F365-M411 HydrophobicContact CZ-CE 3.85Å; L407-M411 HydrophobicContact CB-CG 4.1Å; L407-M411 HydrophobicContact CB-SD 4.16Å; L407-M411 HydrophobicContact CD1-SD 4.38Å; L407-M411 HydrophobicContact CD2-SD 4.23Å; L407-M411 HydrophobicContact CG-SD 4.5Å; L407-M411 WeakPolarHBondContact O-CG 3.46Å; L407-M411 PolarHBondContact O-N 2.85Å; A408-M411 WeakPolarHBondContact CA-O 3.39Å; M411-T413 HydrophobicContact CG-CG2 4.16Å; M411-T413 PolarHBondContact O-N 3.46Å; M411-K460 HydrophobicContact CB-CD 3.98Å; M411-K460 HydrophobicContact CE-CB 3.21Å; M411-K460 HydrophobicContact CE-CD 3.99Å; M411-K460 HydrophobicContact CE-CG 4.22Å; M411-L461 HydrophobicContact CE-CB 4.14Å
412K95.6Very high93.3Very high88 Ų8836.4 Ų36.438%0.38318%0.183SC..  trans-69125175.6-161.5161.6179.6-172.50110.1N440 E457 K460K412-N440 WeakPolarHBondContact CE-ND2 3.41Å; K412-E457 WeakPolarHBondContact CD-O 3.36Å; K412-E457 WeakPolarHBondContact CE-O 3.21Å; K412-E457 WeakPolarHBondContact CE-OE2 3.25Å; K412-E457 PolarHBondContact NZ-O 3.39Å; K412-E457 IonicContact NZ-OE2 3.14Å; K412-E457 PolarHBondContact NZ-OE2 2.85Å; K412-K460 PolarHBondContact O-N 3.27Å
413T97Very high93.1Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-128.8151.3-18061.80000109.8L407 M411 L439 N440 L461L407-T413 HydrophobicContact CB-CG2 3.98Å; M411-T413 HydrophobicContact CG-CG2 4.16Å; M411-T413 PolarHBondContact O-N 3.46Å; T413-L439 WeakPolarHBondContact OG1-CD1 3.5Å; T413-N440 WeakPolarHBondContact O-CB 3.4Å; T413-N440 PolarHBondContact O-N 3.38Å; T413-L461 VanDerWaalsContact CA-O 3.31Å; T413-L461 WeakPolarHBondContact CA-O 3.29Å; T413-L461 HydrophobicContact CG2-CB 4.25Å
414L97.6Very high92.8Very high4 Ų446.4 Ų46.42%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-130.9121.4179.418061.2000110.3V416 N440 L442 A454 P459 L461 M462 V463L414-V416 HydrophobicContact CD2-CG2 4.11Å; L414-V416 HydrophobicContact CG-CG2 3.95Å; L414-N440 WeakPolarHBondContact CA-O 3.39Å; L414-N440 HydrophobicContact CD1-CB 4.08Å; L414-L442 HydrophobicContact CD1-CB 4.01Å; L414-A454 HydrophobicContact CD2-CB 4.31Å; L414-P459 HydrophobicContact CB-CB 3.83Å; L414-P459 HydrophobicContact CB-CG 4Å; L414-P459 HydrophobicContact CD2-CG 4.32Å; L414-L461 PolarHBondContact N-O 3.2Å; L414-M462 HydrophobicContact CB-CG 4.27Å; L414-M462 HydrophobicContact CD2-CG 4.28Å; L414-M462 HydrophobicContact CD2-SD 3.95Å; L414-M462 HydrophobicContact CG-CG 4.38Å; L414-M462 CarbonylContact O-C 3.59Å; L414-M462 VanDerWaalsContact O-CA 3.28Å; L414-M462 WeakPolarHBondContact O-CA 3.3Å; L414-V463 PolarHBondContact O-N 3.19Å
415Y97.4Very high92.6Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-102.2117.4171.2-165.5-63.3000109.3L401 L404 N440 M441 L442 V463 D465L401-Y415 HydrophobicContact CB-CE2 4.26Å; L401-Y415 HydrophobicContact CD1-CD2 4.37Å; L401-Y415 HydrophobicContact CD1-CE2 4.35Å; L404-Y415 HydrophobicContact CD2-CD2 3.86Å; L404-Y415 HydrophobicContact CD2-CG 4.28Å; Y415-N440 PolarHBondContact N-O 3.29Å; Y415-M441 WeakPolarHBondContact CB-SD 3.07Å; Y415-M441 HydrophobicContact CD1-CE 3.68Å; Y415-M441 HydrophobicContact CD1-SD 4.26Å; Y415-M441 HydrophobicContact CE1-CE 4.45Å; Y415-M441 HydrophobicContact CG-CE 3.97Å; Y415-M441 HydrophobicContact CG-SD 3.9Å; Y415-M441 CarbonylContact O-C 3.59Å; Y415-M441 WeakPolarHBondContact O-CA 3.36Å; Y415-L442 PolarHBondContact O-N 3.34Å; Y415-V463 HydrophobicContact CD2-CB 4.32Å; Y415-V463 HydrophobicContact CD2-CG1 4.17Å; Y415-V463 HydrophobicContact CE1-CG1 4.44Å; Y415-V463 HydrophobicContact CE2-CG1 4.03Å; Y415-V463 HydrophobicContact CG-CB 4.48Å; Y415-V463 HydrophobicContact CG-CG1 4.43Å; Y415-D465 HydrophobicContact CE1-CB 3.79Å; Y415-D465 PolarHBondContact OH-OD2 2.6Å
416V97.1Very high92.5Very high0 Ų048.6 Ų48.60%025%0.248CC..EExtended strand (participates in β ladder)trans-104.9122.6176.8-170.30000109.2L414 L442 I450 M462 V463 I464 D465 M470L414-V416 HydrophobicContact CD2-CG2 4.11Å; L414-V416 HydrophobicContact CG-CG2 3.95Å; V416-L442 CarbonylContact C-O 3.46Å; V416-L442 WeakPolarHBondContact CA-O 3.46Å; V416-L442 HydrophobicContact CG1-CD2 4.34Å; V416-L442 HydrophobicContact CG1-CG 4.44Å; V416-L442 HydrophobicContact CG2-CB 4.31Å; V416-L442 HydrophobicContact CG2-CD2 4.28Å; V416-I450 HydrophobicContact CG1-CD1 3.71Å; V416-I450 HydrophobicContact CG1-CG1 3.88Å; V416-I450 HydrophobicContact CG1-CG2 4.45Å; V416-I450 HydrophobicContact CG2-CG2 4Å; V416-M462 HydrophobicContact CG2-CG 4.23Å; V416-M462 HydrophobicContact CG2-SD 4.32Å; V416-V463 WeakPolarHBondContact CA-O 3.24Å; V416-V463 WeakPolarHBondContact CB-O 3.35Å; V416-V463 PolarHBondContact N-O 2.72Å; V416-I464 HydrophobicContact CB-CD1 3.74Å; V416-I464 HydrophobicContact CG1-CD1 4.29Å; V416-I464 HydrophobicContact CG2-CD1 3.77Å; V416-D465 PolarHBondContact O-N 2.89Å; V416-M470 HydrophobicContact CG1-CE 4.37Å
417T93.4Very high92.3Very high0 Ų050.6 Ų50.60%026%0.26CS..EExtended strand (participates in β ladder)trans-114.6136.1175.4177.40000110.5E420 L422 M441 L442 S443 E444 D465T417-E420 WeakPolarHBondContact CG2-O 3.42Å; T417-E420 PolarHBondContact OG1-N 3.1Å; T417-E420 VanDerWaalsContact OG1-N 3.13Å; T417-E420 PolarHBondContact OG1-O 3.46Å; T417-L422 HydrophobicContact CG2-CD2 3.83Å; T417-M441 HydrophobicContact CG2-CE 4.5Å; T417-L442 PolarHBondContact N-O 3.25Å; T417-S443 WeakPolarHBondContact O-CA 3.31Å; T417-E444 PolarHBondContact O-N 2.9Å; T417-D465 WeakPolarHBondContact CA-O 3.48Å
418G84.5Confident92.2Very high26 Ų2651.8 Ų51.827%0.26826%0.264SS..SBendtrans-116.1-16.1167.900000113.6D465G418-D465 PolarHBondContact N-O 2.96Å
419E79.1Confident92.1Very high98 Ų9851.6 Ų51.646%0.45826%0.262SS..SBendtrans-95.5-45-177.9-73.5-174.4-165.300112.9S466 V469 H508E419-S466 WeakPolarHBondContact OE1-CB 3.41Å; E419-S466 PolarHBondContact OE1-OG 2.87Å; E419-V469 HydrophobicContact CG-CB 4.31Å; E419-V469 HydrophobicContact CG-CG1 3.53Å; E419-V469 HydrophobicContact CG-CG2 3.8Å; E419-H508 IonicContact OE1-CE1 2.68Å; E419-H508 IonicContact OE1-ND1 3.99Å; E419-H508 IonicContact OE2-CE1 3.15Å
420E84.7Confident92Very high53 Ų5353.9 Ų53.925%0.24827%0.273CS..SBendtrans-102.5145.2-177.1-65.2-176.4108.700110.8T417 Q424 V425 R428T417-E420 WeakPolarHBondContact CG2-O 3.42Å; T417-E420 PolarHBondContact OG1-N 3.1Å; T417-E420 VanDerWaalsContact OG1-N 3.13Å; T417-E420 PolarHBondContact OG1-O 3.46Å; E420-Q424 HydrophobicContact CB-CB 4.31Å; E420-V425 HydrophobicContact CB-CG2 3.92Å; E420-R428 VanDerWaalsContact CD-NH1 3.33Å; E420-R428 IonicContact OE1-CZ 3.36Å; E420-R428 IonicContact OE1-NH1 2.88Å; E420-R428 PolarHBondContact OE1-NH1 3.5Å; E420-R428 IonicContact OE2-CZ 3.97Å; E420-R428 VanDerWaalsContact OE2-CZ 3.23Å; E420-R428 IonicContact OE2-NH1 2.82Å; E420-R428 PolarHBondContact OE2-NH1 3.17Å; E420-R428 IonicContact OE2-NH2 3.7Å; E420-R428 PolarHBondContact OE2-NH2 3.2Å
421S88.8Confident91.9Very high45 Ų4554.8 Ų54.832%0.31527%0.269SS..  trans-69.2153.5170.275.50000111.1Q423 Q424 V425S421-Q423 PolarHBondContact O-N 3.11Å; S421-Q423 VanDerWaalsContact O-N 3.16Å; S421-Q423 PolarHBondContact OG-OE1 3.48Å; S421-Q424 WeakPolarHBondContact O-CB 3.11Å; S421-Q424 PolarHBondContact O-N 2.99Å; S421-Q424 WeakPolarHBondContact OG-CG 3.5Å; S421-Q424 PolarHBondContact OG-N 3.13Å; S421-Q424 PolarHBondContact OG-OE1 2.96Å; S421-V425 PolarHBondContact O-N 3.49Å
422L91.5Very high91.8Very high65 Ų6554.3 Ų54.334%0.3427%0.267SS..Hα-helixtrans-55-36177.1-62.9-177000112.1T417 V425 A426 M441T417-L422 HydrophobicContact CG2-CD2 3.83Å; L422-V425 PolarHBondContact O-N 3.27Å; L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.44Å; L422-A426 PolarHBondContact O-N 3.44Å; L422-M441 HydrophobicContact CD2-CB 3.91Å; L422-M441 HydrophobicContact CD2-CE 3.97Å
423Q90.4Very high91.7Very high130 Ų13053.2 Ų53.261%0.60728%0.281SS*.Hα-helixtrans-64.5-40.8177.1-64.181.7-1.600111.9S421 A426 M427S421-Q423 PolarHBondContact O-N 3.11Å; S421-Q423 VanDerWaalsContact O-N 3.16Å; S421-Q423 PolarHBondContact OG-OE1 3.48Å; Q423-A426 PolarHBondContact O-N 3.13Å; Q423-M427 WeakPolarHBondContact O-CG 3.44Å; Q423-M427 PolarHBondContact O-N 3.46Å
424Q90.7Very high91.6Very high93 Ų9354.4 Ų54.444%0.43529%0.287SS..Hα-helixtrans-63.5-44.7177.5-72.9172.1-53.900111.3E420 S421 M427 R428E420-Q424 HydrophobicContact CB-CB 4.31Å; S421-Q424 WeakPolarHBondContact O-CB 3.11Å; S421-Q424 PolarHBondContact O-N 2.99Å; S421-Q424 WeakPolarHBondContact OG-CG 3.5Å; S421-Q424 PolarHBondContact OG-N 3.13Å; S421-Q424 PolarHBondContact OG-OE1 2.96Å; Q424-M427 HydrophobicContact CG-CE 4.28Å; Q424-M427 PolarHBondContact O-N 3.4Å; Q424-R428 PolarHBondContact O-N 3.34Å; Q424-R428 VanDerWaalsContact O-N 3.15Å
425V92.7Very high91.3Very high2 Ų256.9 Ų56.91%0.01230%0.303CS..Hα-helixtrans-65.2-42.7177.1-175.20000111.1L401 E420 S421 L422 M427 R428 A429 M441L401-V425 HydrophobicContact CD1-CG1 3.88Å; L401-V425 HydrophobicContact CD2-CG1 4.06Å; E420-V425 HydrophobicContact CB-CG2 3.92Å; S421-V425 PolarHBondContact O-N 3.49Å; L422-V425 PolarHBondContact O-N 3.27Å; V425-M427 PolarHBondContact O-N 2.79Å; V425-R428 WeakPolarHBondContact O-CB 3.34Å; V425-R428 PolarHBondContact O-N 2.94Å; V425-A429 PolarHBondContact O-N 3.2Å; V425-M441 HydrophobicContact CB-CE 3.96Å; V425-M441 HydrophobicContact CG1-CE 3.67Å; V425-M441 HydrophobicContact CG1-SD 4.34Å; V425-M441 HydrophobicContact CG2-CE 4.27Å
426A92.9Very high91.1Very high44 Ų4459 Ų5936%0.36432%0.317SS..Hα-helixtrans-61.1-45.8177.600000112.1L422 Q423 R428 A429 H430L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.44Å; L422-A426 PolarHBondContact O-N 3.44Å; Q423-A426 PolarHBondContact O-N 3.13Å; A426-R428 VanDerWaalsContact C-N 3.27Å; A426-R428 PolarHBondContact O-N 2.68Å; A426-A429 PolarHBondContact O-N 3.5Å; A426-A429 VanDerWaalsContact O-N 3.16Å; A426-H430 PolarHBondContact O-N 3.38Å; A426-H430 PolarHBondContact O-ND1 3.29Å
427M91.9Very high90.7Very high124 Ų12465.9 Ų65.961%0.61135%0.353SS*.Hα-helixtrans-58.2-40.8175.5-74.9-172.9-65.600111.8Q423 Q424 V425 H430 R431Q423-M427 WeakPolarHBondContact O-CG 3.44Å; Q423-M427 PolarHBondContact O-N 3.46Å; Q424-M427 HydrophobicContact CG-CE 4.28Å; Q424-M427 PolarHBondContact O-N 3.4Å; V425-M427 PolarHBondContact O-N 2.79Å; M427-H430 PolarHBondContact O-N 2.97Å; M427-R431 WeakPolarHBondContact O-CB 3.48Å; M427-R431 PolarHBondContact O-N 3.44Å
428R92.4Very high90.7Very high33 Ų3369.7 Ų69.713%0.12537%0.374CS..Hα-helixtrans-63.4-45175.6-177.2170.263.8-149.1-0.3111.5L401 E420 Q424 V425 A426 H430 R431 L432L401-R428 HydrophobicContact CD2-CB 4.33Å; L401-R428 HydrophobicContact CD2-CG 4.07Å; E420-R428 VanDerWaalsContact CD-NH1 3.33Å; E420-R428 IonicContact OE1-CZ 3.36Å; E420-R428 IonicContact OE1-NH1 2.88Å; E420-R428 PolarHBondContact OE1-NH1 3.5Å; E420-R428 IonicContact OE2-CZ 3.97Å; E420-R428 VanDerWaalsContact OE2-CZ 3.23Å; E420-R428 IonicContact OE2-NH1 2.82Å; E420-R428 PolarHBondContact OE2-NH1 3.17Å; E420-R428 IonicContact OE2-NH2 3.7Å; E420-R428 PolarHBondContact OE2-NH2 3.2Å; Q424-R428 PolarHBondContact O-N 3.34Å; Q424-R428 VanDerWaalsContact O-N 3.15Å; V425-R428 WeakPolarHBondContact O-CB 3.34Å; V425-R428 PolarHBondContact O-N 2.94Å; A426-R428 VanDerWaalsContact C-N 3.27Å; A426-R428 PolarHBondContact O-N 2.68Å; R428-H430 VanDerWaalsContact C-N 3.34Å; R428-H430 PolarHBondContact O-N 3.01Å; R428-R431 PolarHBondContact O-N 2.94Å; R428-L432 HydrophobicContact CG-CD1 3.98Å; R428-L432 WeakPolarHBondContact O-CB 3.32Å; R428-L432 WeakPolarHBondContact O-CG 3.44Å; R428-L432 PolarHBondContact O-N 2.96Å; R428-L432 VanDerWaalsContact O-N 3.08Å
429A93.7Very high91.2Very high4 Ų469.5 Ų69.53%0.03337%0.366CS..Hα-helixtrans-60.4-42.8177.600000112.4L401 V425 A426 L432 G433 L434 T436L401-A429 HydrophobicContact CD2-CB 4.1Å; V425-A429 PolarHBondContact O-N 3.2Å; A426-A429 PolarHBondContact O-N 3.5Å; A426-A429 VanDerWaalsContact O-N 3.16Å; A429-L432 PolarHBondContact O-N 2.95Å; A429-G433 PolarHBondContact O-N 2.71Å; A429-L434 PolarHBondContact O-N 3.3Å; A429-L434 VanDerWaalsContact O-N 3.12Å; A429-T436 HydrophobicContact CB-CG2 3.68Å
430H92.7Very high92Very high131 Ų13167.5 Ų67.561%0.60636%0.359SS*.Hα-helixtrans-64.3-45.1176.9-75.575.6000112A426 M427 R428 L432 G433A426-H430 PolarHBondContact O-N 3.38Å; A426-H430 PolarHBondContact O-ND1 3.29Å; M427-H430 PolarHBondContact O-N 2.97Å; R428-H430 VanDerWaalsContact C-N 3.34Å; R428-H430 PolarHBondContact O-N 3.01Å; H430-L432 PolarHBondContact O-N 3.24Å; H430-G433 PolarHBondContact O-N 3.27Å
431R92Very high92.6Very high185 Ų18567.9 Ų67.970%0.69836%0.361SS*.Hα-helixtrans-58.5-37.1176.3-175-177.969.3-176.70.9112.2M427 R428 G433M427-R431 WeakPolarHBondContact O-CB 3.48Å; M427-R431 PolarHBondContact O-N 3.44Å; R428-R431 PolarHBondContact O-N 2.94Å; R431-G433 VanDerWaalsContact C-N 3.27Å; R431-G433 PolarHBondContact O-N 3.41Å
432L92.7Very high92.9Very high15 Ų1567.2 Ų67.28%0.07935%0.354CS..THydrogen-bonded Turntrans-79.7-6.6178.8-65.5173.6000113.2T398 Q402 R428 A429 H430 L434 G564T398-L432 HydrophobicContact CG2-CD1 4.15Å; Q402-L432 HydrophobicContact CG-CD1 4.49Å; R428-L432 HydrophobicContact CG-CD1 3.98Å; R428-L432 WeakPolarHBondContact O-CB 3.32Å; R428-L432 WeakPolarHBondContact O-CG 3.44Å; R428-L432 PolarHBondContact O-N 2.96Å; R428-L432 VanDerWaalsContact O-N 3.08Å; A429-L432 PolarHBondContact O-N 2.95Å; H430-L432 PolarHBondContact O-N 3.24Å; L432-L434 HydrophobicContact CB-CD1 3.94Å; L432-L434 HydrophobicContact CB-CD2 4.3Å; L432-L434 HydrophobicContact CB-CG 3.71Å; L432-L434 HydrophobicContact CD1-CD1 3.97Å; L432-G564 VanDerWaalsContact CD2-N 3.31Å
433G93Very high93Very high66 Ų6667.3 Ų67.368%0.6836%0.36SS*.THydrogen-bonded Turntrans65.735.3-178.400000113.6A429 H430 R431A429-G433 PolarHBondContact O-N 2.71Å; H430-G433 PolarHBondContact O-N 3.27Å; R431-G433 VanDerWaalsContact C-N 3.27Å; R431-G433 PolarHBondContact O-N 3.41Å
434L94Very high93.2Very high25 Ų2564 Ų6413%0.13135%0.345CS..  trans-86.1149.2-175.9-58.7176.4000112.3L401 Q402 C405 A429 L432 T436L401-L434 HydrophobicContact CD2-CD1 4.47Å; L401-L434 HydrophobicContact CG-CD1 4.05Å; Q402-L434 HydrophobicContact CB-CD2 4.48Å; Q402-L434 HydrophobicContact CG-CD1 3.93Å; Q402-L434 HydrophobicContact CG-CD2 3.95Å; C405-L434 HydrophobicContact CB-CB 3.9Å; C405-L434 HydrophobicContact CB-CD1 4.35Å; A429-L434 PolarHBondContact O-N 3.3Å; A429-L434 VanDerWaalsContact O-N 3.12Å; L432-L434 HydrophobicContact CB-CD1 3.94Å; L432-L434 HydrophobicContact CB-CD2 4.3Å; L432-L434 HydrophobicContact CB-CG 3.71Å; L432-L434 HydrophobicContact CD1-CD1 3.97Å; L434-T436 PolarHBondContact O-N 2.96Å
435P92.8Very high93.2Very high55 Ų5561.8 Ų61.836%0.35734%0.337SS..  trans-74.4107.6174.631-34.2000110.2C405 Q409C405-P435 HydrophobicContact CB-CG 4.41Å; C405-P435 WeakPolarHBondContact CB-O 3.48Å; Q409-P435 HydrophobicContact CG-CB 4.44Å; Q409-P435 HydrophobicContact CG-CG 4.3Å
436T92.2Very high93.2Very high46 Ų4662.5 Ų62.528%0.28234%0.343SS..  trans-96.1-15.7-171.348.20000115A429 L434 N438 L439A429-T436 HydrophobicContact CB-CG2 3.68Å; L434-T436 PolarHBondContact O-N 2.96Å; T436-N438 PolarHBondContact O-N 2.87Å; T436-L439 PolarHBondContact O-N 2.8Å
437D89.2Confident93.3Very high143 Ų14360.4 Ų60.477%0.76533%0.325SS*.THydrogen-bonded Turntrans-60.1-24.9-163.3-56.4-27.3000115.2
438N93.6Very high93.3Very high81 Ų8156.7 Ų56.743%0.43331%0.306SS..THydrogen-bonded Turntrans-114.60.8-173.5-64.7-45.5000113.6A408 Q409 T436 N440A408-N438 HydrophobicContact CB-CB 3.99Å; A408-N438 WeakPolarHBondContact O-CB 3.31Å; Q409-N438 PolarHBondContact OE1-ND2 2.72Å; T436-N438 PolarHBondContact O-N 2.87Å; N438-N440 PolarHBondContact O-N 3.19Å
439L95.3Very high93.2Very high21 Ų2159.6 Ų59.611%0.1132%0.321CS..  trans-84.1114.8-177.5176.558.5000110.4L401 L404 A408 T413 T436 M441L401-L439 HydrophobicContact CD1-CD2 3.9Å; L404-L439 HydrophobicContact CB-CD1 3.81Å; L404-L439 HydrophobicContact CD2-CD1 4.17Å; L404-L439 HydrophobicContact CG-CD1 4.44Å; A408-L439 HydrophobicContact CB-CB 4.15Å; T413-L439 WeakPolarHBondContact OG1-CD1 3.5Å; T436-L439 PolarHBondContact O-N 2.8Å; L439-M441 HydrophobicContact CD2-SD 3.84Å; L439-M441 HydrophobicContact CG-CG 4.35Å; L439-M441 HydrophobicContact CG-SD 4.06Å
440N95.8Very high93.3Very high56 Ų5659.4 Ų59.430%0.29932%0.32SS..EExtended strand (participates in β ladder)trans-78.5134.9171.7-64-15.5000110.2K412 T413 L414 Y415 N438 E457K412-N440 WeakPolarHBondContact CE-ND2 3.41Å; T413-N440 WeakPolarHBondContact O-CB 3.4Å; T413-N440 PolarHBondContact O-N 3.38Å; L414-N440 WeakPolarHBondContact CA-O 3.39Å; L414-N440 HydrophobicContact CD1-CB 4.08Å; Y415-N440 PolarHBondContact N-O 3.29Å; N438-N440 PolarHBondContact O-N 3.19Å; N440-E457 PolarHBondContact ND2-OE2 3.47Å
441M95.3Very high93.4Very high62 Ų6253.3 Ų53.331%0.30529%0.292SS..EExtended strand (participates in β ladder)trans-124.7140.6-178-65.6-74.3-4700109.6Y415 T417 L422 V425 L439Y415-M441 WeakPolarHBondContact CB-SD 3.07Å; Y415-M441 HydrophobicContact CD1-CE 3.68Å; Y415-M441 HydrophobicContact CD1-SD 4.26Å; Y415-M441 HydrophobicContact CE1-CE 4.45Å; Y415-M441 HydrophobicContact CG-CE 3.97Å; Y415-M441 HydrophobicContact CG-SD 3.9Å; Y415-M441 CarbonylContact O-C 3.59Å; Y415-M441 WeakPolarHBondContact O-CA 3.36Å; T417-M441 HydrophobicContact CG2-CE 4.5Å; L422-M441 HydrophobicContact CD2-CB 3.91Å; L422-M441 HydrophobicContact CD2-CE 3.97Å; V425-M441 HydrophobicContact CB-CE 3.96Å; V425-M441 HydrophobicContact CG1-CE 3.67Å; V425-M441 HydrophobicContact CG1-SD 4.34Å; V425-M441 HydrophobicContact CG2-CE 4.27Å; L439-M441 HydrophobicContact CD2-SD 3.84Å; L439-M441 HydrophobicContact CG-CG 4.35Å; L439-M441 HydrophobicContact CG-SD 4.06Å
442L95.8Very high93.5Very high30 Ų3048.9 Ų48.916%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-133.1136.6175.1178.264.9000109.6L414 Y415 V416 T417 E444 I450 I453L414-L442 HydrophobicContact CD1-CB 4.01Å; Y415-L442 PolarHBondContact O-N 3.34Å; V416-L442 CarbonylContact C-O 3.46Å; V416-L442 WeakPolarHBondContact CA-O 3.46Å; V416-L442 HydrophobicContact CG1-CD2 4.34Å; V416-L442 HydrophobicContact CG1-CG 4.44Å; V416-L442 HydrophobicContact CG2-CB 4.31Å; V416-L442 HydrophobicContact CG2-CD2 4.28Å; T417-L442 PolarHBondContact N-O 3.25Å; L442-E444 HydrophobicContact CD1-CB 4.18Å; L442-E444 HydrophobicContact CD2-CB 4Å; L442-E444 HydrophobicContact CG-CB 3.84Å; L442-I450 HydrophobicContact CD2-CG1 4.13Å; L442-I453 HydrophobicContact CD1-CD1 3.87Å; L442-I453 HydrophobicContact CD2-CB 4.41Å; L442-I453 HydrophobicContact CD2-CD1 3.84Å; L442-I453 HydrophobicContact CD2-CG2 4.25Å
443S94.2Very high93.6Very high67 Ų6750.4 Ų50.447%0.46929%0.289SS..EExtended strand (participates in β ladder)trans-110.792.8171.7175.40000108.5T417T417-S443 WeakPolarHBondContact O-CA 3.31Å
444E93.6Very high93.7Very high61 Ų6147.4 Ų47.429%0.28526%0.258SS..  trans-150.5153.5-176.5-175.349.4-107.200109.7T417 L442 S446 Q449 I450T417-E444 PolarHBondContact O-N 2.9Å; L442-E444 HydrophobicContact CD1-CB 4.18Å; L442-E444 HydrophobicContact CD2-CB 4Å; L442-E444 HydrophobicContact CG-CB 3.84Å; E444-S446 PolarHBondContact OE1-N 3.44Å; E444-Q449 HydrophobicContact CG-CB 4.04Å; E444-I450 HydrophobicContact CB-CD1 4.41Å; E444-I450 HydrophobicContact CB-CG1 3.89Å; E444-I450 HydrophobicContact CG-CD1 4.37Å; E444-I450 HydrophobicContact CG-CG1 3.78Å
445T92.4Very high93.7Very high46 Ų4649.5 Ų49.528%0.28227%0.267SS..  trans-123.2-20-178.859.10000113.3M470 H471T445-M470 WeakPolarHBondContact O-CA 3.2Å; T445-H471 PolarHBondContact O-N 3.15Å; T445-H471 PolarHBondContact O-ND1 3.22Å; T445-H471 VanDerWaalsContact O-ND1 3.1Å; T445-H471 PolarHBondContact OG1-CE1 3.42Å; T445-H471 PolarHBondContact OG1-ND1 3.19Å
446S92.6Very high93.7Very high18 Ų1854.4 Ų54.413%0.12629%0.285CS..BIsolated β-bridgetrans-78.8122.4173.1166.40000110.6E444 E448 Q449 I450 H471E444-S446 PolarHBondContact OE1-N 3.44Å; S446-E448 VanDerWaalsContact C-N 3.31Å; S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-OE2 2.86Å; S446-Q449 PolarHBondContact O-N 3.18Å; S446-Q449 PolarHBondContact OG-N 3.33Å; S446-I450 WeakPolarHBondContact O-CD1 3.27Å; S446-I450 WeakPolarHBondContact O-CG1 3.42Å; S446-I450 PolarHBondContact O-N 2.88Å; S446-H471 PolarHBondContact N-CE1 3.35Å
447I93.9Very high93.8Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-73-30.6-175.9-71.6-91.9000111.7I450 C451 M470 H471 M472 T488 Y491 L492I447-I450 HydrophobicContact CD1-CD1 4.2Å; I447-I450 HydrophobicContact CG1-CD1 4.45Å; I447-I450 PolarHBondContact O-N 2.75Å; I447-C451 VanDerWaalsContact O-CB 3.31Å; I447-C451 WeakPolarHBondContact O-CB 3.35Å; I447-C451 PolarHBondContact O-N 3.35Å; I447-C451 PolarHBondContact O-SG 3.1Å; I447-C451 VanDerWaalsContact O-SG 3.41Å; I447-M470 HydrophobicContact CD1-CB 3.88Å; I447-M470 HydrophobicContact CD1-CG 4.1Å; I447-M470 HydrophobicContact CD1-SD 4.24Å; I447-M470 HydrophobicContact CG1-CB 3.87Å; I447-H471 PolarHBondContact N-O 3.34Å; I447-M472 HydrophobicContact CB-CG 3.92Å; I447-M472 HydrophobicContact CG2-CG 4.13Å; I447-M472 HydrophobicContact CG2-SD 4.3Å; I447-T488 HydrophobicContact CB-CG2 4.17Å; I447-T488 HydrophobicContact CD1-CG2 3.29Å; I447-T488 HydrophobicContact CG1-CG2 3.28Å; I447-T488 HydrophobicContact CG2-CG2 4.29Å; I447-Y491 HydrophobicContact CG2-CD1 3.49Å; I447-Y491 VanDerWaalsContact CG2-CD1 3.49Å; I447-Y491 HydrophobicContact CG2-CE1 3.99Å; I447-Y491 HydrophobicContact CG2-CG 4.23Å; I447-L492 HydrophobicContact CD1-CD1 3.72Å; I447-L492 HydrophobicContact CD1-CD2 3.88Å; I447-L492 HydrophobicContact CD1-CG 3.88Å; I447-L492 HydrophobicContact CG2-CD2 4.25Å; I447-L492 HydrophobicContact CG2-CG 4.37Å
448E91.3Very high94Very high45 Ų4554.1 Ų54.121%0.2128%0.276CS..Hα-helixtrans-61.3-47.6171.9-57.388164.600110.7S446 C451 L452 M472 A473S446-E448 VanDerWaalsContact C-N 3.31Å; S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-OE2 2.86Å; E448-C451 PolarHBondContact O-N 2.78Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 2.74Å; E448-M472 WeakPolarHBondContact OE1-CA 3.46Å; E448-M472 WeakPolarHBondContact OE1-CB 3.41Å; E448-A473 PolarHBondContact OE1-N 2.74Å
449Q92Very high94.2Very high94 Ų9450.7 Ų50.744%0.43926%0.259SS..Hα-helixtrans-66.5-42.9177-67.9-60.8-21.200112.3E444 S446 C451 L452 I453E444-Q449 HydrophobicContact CG-CB 4.04Å; S446-Q449 PolarHBondContact O-N 3.18Å; S446-Q449 PolarHBondContact OG-N 3.33Å; Q449-C451 VanDerWaalsContact C-N 3.3Å; Q449-C451 PolarHBondContact O-N 3.48Å; Q449-L452 PolarHBondContact O-N 2.91Å; Q449-I453 WeakPolarHBondContact O-CG1 3.37Å; Q449-I453 PolarHBondContact O-N 3.28Å
450I95.9Very high94.2Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-57.5-45.7175.9-68.8159000110.7V416 L442 E444 S446 I447 I453 A454 M462 I464 M470V416-I450 HydrophobicContact CG1-CD1 3.71Å; V416-I450 HydrophobicContact CG1-CG1 3.88Å; V416-I450 HydrophobicContact CG1-CG2 4.45Å; V416-I450 HydrophobicContact CG2-CG2 4Å; L442-I450 HydrophobicContact CD2-CG1 4.13Å; E444-I450 HydrophobicContact CB-CD1 4.41Å; E444-I450 HydrophobicContact CB-CG1 3.89Å; E444-I450 HydrophobicContact CG-CD1 4.37Å; E444-I450 HydrophobicContact CG-CG1 3.78Å; S446-I450 WeakPolarHBondContact O-CD1 3.27Å; S446-I450 WeakPolarHBondContact O-CG1 3.42Å; S446-I450 PolarHBondContact O-N 2.88Å; I447-I450 HydrophobicContact CD1-CD1 4.2Å; I447-I450 HydrophobicContact CG1-CD1 4.45Å; I447-I450 PolarHBondContact O-N 2.75Å; I450-I453 PolarHBondContact O-N 2.82Å; I450-A454 VanDerWaalsContact O-CB 3.24Å; I450-A454 WeakPolarHBondContact O-CB 3.38Å; I450-A454 PolarHBondContact O-N 2.79Å; I450-M462 HydrophobicContact CG2-CE 4.5Å; I450-M462 HydrophobicContact CG2-SD 3.98Å; I450-I464 HydrophobicContact CG2-CD1 4.07Å; I450-M470 HydrophobicContact CD1-SD 3.55Å; I450-M470 VanDerWaalsContact CD1-SD 3.55Å
451C94.5Very high94.3Very high3 Ų353.5 Ų53.52%0.0227%0.267CS..Hα-helixtrans-67.9-38.2179.4-780000112.7I447 E448 Q449 A454 E455 Y491 F495I447-C451 VanDerWaalsContact O-CB 3.31Å; I447-C451 WeakPolarHBondContact O-CB 3.35Å; I447-C451 PolarHBondContact O-N 3.35Å; I447-C451 PolarHBondContact O-SG 3.1Å; I447-C451 VanDerWaalsContact O-SG 3.41Å; E448-C451 PolarHBondContact O-N 2.78Å; Q449-C451 VanDerWaalsContact C-N 3.3Å; Q449-C451 PolarHBondContact O-N 3.48Å; C451-A454 PolarHBondContact O-N 2.94Å; C451-E455 WeakPolarHBondContact O-CG 3.42Å; C451-E455 PolarHBondContact O-N 3.15Å; C451-Y491 HydrophobicContact CB-CE1 4.18Å; C451-F495 HydrophobicContact CB-CD2 3.82Å; C451-F495 HydrophobicContact CB-CE2 3.66Å; C451-F495 HydrophobicContact CB-CG 4.4Å; C451-F495 HydrophobicContact CB-CZ 4.12Å; C451-F495 WeakPolarHBondContact O-CZ 3.33Å; C451-F495 VanDerWaalsContact SG-CD2 3.56Å; C451-F495 VanDerWaalsContact SG-CG 3.55Å
452L93Very high94.4Very high92 Ų9250.6 Ų50.648%0.48225%0.253SS..Hα-helixtrans-60-49.6173.5-73.1168.9000111.2E448 Q449 A454 E455 E456E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.47Å; E448-L452 PolarHBondContact O-N 2.74Å; Q449-L452 PolarHBondContact O-N 2.91Å; L452-A454 VanDerWaalsContact C-N 3.32Å; L452-A454 PolarHBondContact O-N 3.41Å; L452-E455 WeakPolarHBondContact O-CB 3.31Å; L452-E455 PolarHBondContact O-N 3.29Å; L452-E455 VanDerWaalsContact O-N 3.15Å; L452-E456 PolarHBondContact O-N 2.83Å
453I94.3Very high94.5Very high47 Ų4749.1 Ų49.124%0.24125%0.245CC..Hα-helixtrans-62.9-40.7177.2-65.3165.3000110.6L442 Q449 I450 E455 E456 E457L442-I453 HydrophobicContact CD1-CD1 3.87Å; L442-I453 HydrophobicContact CD2-CB 4.41Å; L442-I453 HydrophobicContact CD2-CD1 3.84Å; L442-I453 HydrophobicContact CD2-CG2 4.25Å; Q449-I453 WeakPolarHBondContact O-CG1 3.37Å; Q449-I453 PolarHBondContact O-N 3.28Å; I450-I453 PolarHBondContact O-N 2.82Å; I453-E455 VanDerWaalsContact C-N 3.27Å; I453-E455 PolarHBondContact O-N 3.06Å; I453-E456 PolarHBondContact O-N 3.06Å; I453-E457 HydrophobicContact CG2-CG 4.07Å; I453-E457 WeakPolarHBondContact O-CB 3.32Å; I453-E457 WeakPolarHBondContact O-CG 3.31Å; I453-E457 PolarHBondContact O-N 3.26Å
454A95.9Very high94.6Very high3 Ų346 Ų463%0.02522%0.223CC..Hα-helixtrans-65.7-29.1177.400000112.6L414 I450 C451 L452 Q458 P459 M462 F495L414-A454 HydrophobicContact CD2-CB 4.31Å; I450-A454 VanDerWaalsContact O-CB 3.24Å; I450-A454 WeakPolarHBondContact O-CB 3.38Å; I450-A454 PolarHBondContact O-N 2.79Å; C451-A454 PolarHBondContact O-N 2.94Å; L452-A454 VanDerWaalsContact C-N 3.32Å; L452-A454 PolarHBondContact O-N 3.41Å; A454-Q458 WeakPolarHBondContact O-CA 3.44Å; A454-Q458 PolarHBondContact O-N 3.39Å; A454-P459 HydrophobicContact CB-CG 4.29Å; A454-P459 WeakPolarHBondContact O-CD 3.47Å; A454-M462 HydrophobicContact CB-SD 3.95Å; A454-F495 HydrophobicContact CB-CE1 3.86Å; A454-F495 HydrophobicContact CB-CZ 3.78Å
455E93.3Very high94.5Very high70 Ų7043.2 Ų43.233%0.32721%0.21SC..Hα-helixtrans-69.3-37171.8-76.4-176.9-178.400112.6C451 L452 I453 Q458 F495 R499C451-E455 WeakPolarHBondContact O-CG 3.42Å; C451-E455 PolarHBondContact O-N 3.15Å; L452-E455 WeakPolarHBondContact O-CB 3.31Å; L452-E455 PolarHBondContact O-N 3.29Å; L452-E455 VanDerWaalsContact O-N 3.15Å; I453-E455 VanDerWaalsContact C-N 3.27Å; I453-E455 PolarHBondContact O-N 3.06Å; E455-Q458 WeakPolarHBondContact O-CG 3.07Å; E455-Q458 PolarHBondContact O-NE2 2.97Å; E455-F495 HydrophobicContact CG-CE2 3.7Å; E455-F495 HydrophobicContact CG-CZ 3.89Å; E455-R499 IonicContact OE1-CZ 3.23Å; E455-R499 IonicContact OE1-NE 2.77Å; E455-R499 PolarHBondContact OE1-NE 3.46Å; E455-R499 IonicContact OE1-NH2 2.83Å; E455-R499 PolarHBondContact OE1-NH2 3.47Å; E455-R499 IonicContact OE2-NH2 3.05Å; E455-R499 PolarHBondContact OE2-NH2 3.14Å
456E93.8Very high94.4Very high157 Ų15741 Ų4173%0.73420%0.197SC*.Hα-helixtrans-71.8-44.2174.8-65.9179.6175.400111.1L452 I453L452-E456 PolarHBondContact O-N 2.83Å; I453-E456 PolarHBondContact O-N 3.06Å
457E93.9Very high94.2Very high65 Ų6540.1 Ų40.130%0.30419%0.191SC..Hα-helixtrans-75.3-26.9-176.9-72.4-62.1132.200112.7K412 N440 I453K412-E457 WeakPolarHBondContact CD-O 3.36Å; K412-E457 WeakPolarHBondContact CE-O 3.21Å; K412-E457 WeakPolarHBondContact CE-OE2 3.25Å; K412-E457 PolarHBondContact NZ-O 3.39Å; K412-E457 IonicContact NZ-OE2 3.14Å; K412-E457 PolarHBondContact NZ-OE2 2.85Å; N440-E457 PolarHBondContact ND2-OE2 3.47Å; I453-E457 HydrophobicContact CG2-CG 4.07Å; I453-E457 WeakPolarHBondContact O-CB 3.32Å; I453-E457 WeakPolarHBondContact O-CG 3.31Å; I453-E457 PolarHBondContact O-N 3.26Å
458Q94.6Very high93.8Very high119 Ų11941.1 Ų41.156%0.55620%0.195SC*.  trans50.152.5-176.9-63.5-72.8-46.600113.6A454 E455A454-Q458 WeakPolarHBondContact O-CA 3.44Å; A454-Q458 PolarHBondContact O-N 3.39Å; E455-Q458 WeakPolarHBondContact O-CG 3.07Å; E455-Q458 PolarHBondContact O-NE2 2.97Å
459P96.4Very high93.7Very high9 Ų940.9 Ų40.96%0.05820%0.197CC..  trans-68.3143.8175.631.1-32.6000110.2L414 A454 V501L414-P459 HydrophobicContact CB-CB 3.83Å; L414-P459 HydrophobicContact CB-CG 4Å; L414-P459 HydrophobicContact CD2-CG 4.32Å; A454-P459 HydrophobicContact CB-CG 4.29Å; A454-P459 WeakPolarHBondContact O-CD 3.47Å; P459-V501 HydrophobicContact CG-CG2 4.36Å; P459-V501 WeakPolarHBondContact O-CG2 3.02Å
460K95.6Very high93.5Very high132 Ų13236.4 Ų36.457%0.57418%0.176SC*.SBendtrans-81.3-27.4171.6-70.2-166.6-177.8178.40112.4M411 K412 A502M411-K460 HydrophobicContact CB-CD 3.98Å; M411-K460 HydrophobicContact CE-CB 3.21Å; M411-K460 HydrophobicContact CE-CD 3.99Å; M411-K460 HydrophobicContact CE-CG 4.22Å; K412-K460 PolarHBondContact O-N 3.27Å; K460-A502 PolarHBondContact O-N 3.14Å; K460-A502 VanDerWaalsContact O-N 3.08Å
461L97.3Very high93.1Very high4 Ų438.4 Ų38.42%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-134.7130.2174.8177.266.3000109.6F365 L404 L407 M411 T413 L414 A502 V504F365-L461 HydrophobicContact CE2-CB 4.44Å; F365-L461 HydrophobicContact CE2-CD2 4.36Å; F365-L461 HydrophobicContact CZ-CB 4.23Å; F365-L461 HydrophobicContact CZ-CD1 4.39Å; L404-L461 HydrophobicContact CD1-CD2 3.7Å; L404-L461 HydrophobicContact CD1-CG 4.34Å; L404-L461 HydrophobicContact CG-CD2 4.31Å; L407-L461 HydrophobicContact CD1-CD2 3.63Å; M411-L461 HydrophobicContact CE-CB 4.14Å; T413-L461 VanDerWaalsContact CA-O 3.31Å; T413-L461 WeakPolarHBondContact CA-O 3.29Å; T413-L461 HydrophobicContact CG2-CB 4.25Å; L414-L461 PolarHBondContact N-O 3.2Å; L461-A502 CarbonylContact C-O 3.56Å; L461-A502 WeakPolarHBondContact CA-O 3.3Å; L461-A502 HydrophobicContact CD1-CB 3.85Å; L461-V504 HydrophobicContact CD1-CG2 3.95Å
462M97.9Very high92.6Very high0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-123.7134.7176.9-176.5170.866.500110.8L414 V416 I450 A454 I464 L492 F495 V501 A502 I503 V504L414-M462 HydrophobicContact CB-CG 4.27Å; L414-M462 HydrophobicContact CD2-CG 4.28Å; L414-M462 HydrophobicContact CD2-SD 3.95Å; L414-M462 HydrophobicContact CG-CG 4.38Å; L414-M462 CarbonylContact O-C 3.59Å; L414-M462 VanDerWaalsContact O-CA 3.28Å; L414-M462 WeakPolarHBondContact O-CA 3.3Å; V416-M462 HydrophobicContact CG2-CG 4.23Å; V416-M462 HydrophobicContact CG2-SD 4.32Å; I450-M462 HydrophobicContact CG2-CE 4.5Å; I450-M462 HydrophobicContact CG2-SD 3.98Å; A454-M462 HydrophobicContact CB-SD 3.95Å; M462-I464 HydrophobicContact CE-CD1 4.18Å; M462-I464 HydrophobicContact CG-CD1 4.17Å; M462-I464 HydrophobicContact SD-CD1 4.2Å; M462-L492 HydrophobicContact CE-CD2 4.13Å; M462-F495 HydrophobicContact CE-CD1 4.36Å; M462-F495 HydrophobicContact CE-CE1 4.34Å; M462-V501 HydrophobicContact CB-CG2 4.16Å; M462-A502 PolarHBondContact N-O 2.81Å; M462-I503 HydrophobicContact CE-CD1 3.61Å; M462-I503 HydrophobicContact CE-CG1 3.87Å; M462-I503 HydrophobicContact CE-CG2 4.21Å; M462-I503 CarbonylContact O-C 3.55Å; M462-I503 WeakPolarHBondContact O-CA 3.31Å; M462-V504 PolarHBondContact O-N 2.84Å
463V97.5Very high91.8Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-108.7137172.6166.20000110L400 L404 L414 Y415 V416 D465 V504L400-V463 HydrophobicContact CB-CG1 4.43Å; L400-V463 HydrophobicContact CB-CG2 4.31Å; L400-V463 HydrophobicContact CD1-CG1 3.89Å; L400-V463 HydrophobicContact CD1-CG2 4.32Å; L400-V463 HydrophobicContact CD2-CG2 4.19Å; L404-V463 HydrophobicContact CD1-CG2 3.39Å; L404-V463 HydrophobicContact CD2-CB 3.86Å; L404-V463 HydrophobicContact CD2-CG2 3.58Å; L404-V463 HydrophobicContact CG-CG2 4.13Å; L414-V463 PolarHBondContact O-N 3.19Å; Y415-V463 HydrophobicContact CD2-CB 4.32Å; Y415-V463 HydrophobicContact CD2-CG1 4.17Å; Y415-V463 HydrophobicContact CE1-CG1 4.44Å; Y415-V463 HydrophobicContact CE2-CG1 4.03Å; Y415-V463 HydrophobicContact CG-CB 4.48Å; Y415-V463 HydrophobicContact CG-CG1 4.43Å; V416-V463 WeakPolarHBondContact CA-O 3.24Å; V416-V463 WeakPolarHBondContact CB-O 3.35Å; V416-V463 PolarHBondContact N-O 2.72Å; V463-D465 HydrophobicContact CG1-CB 4.29Å; V463-V504 CarbonylContact C-O 3.55Å; V463-V504 WeakPolarHBondContact CA-O 3.39Å; V463-V504 HydrophobicContact CG2-CB 4.18Å
464I96.1Very high90.6Very high0 Ų036.9 Ų36.90%018%0.18CC..EExtended strand (participates in β ladder)trans-116.4107.6171.9-55.4-57.1000108.7V416 I450 M462 I467 M470 L492 I503 V504 M505 V506V416-I464 HydrophobicContact CB-CD1 3.74Å; V416-I464 HydrophobicContact CG1-CD1 4.29Å; V416-I464 HydrophobicContact CG2-CD1 3.77Å; I450-I464 HydrophobicContact CG2-CD1 4.07Å; M462-I464 HydrophobicContact CE-CD1 4.18Å; M462-I464 HydrophobicContact CG-CD1 4.17Å; M462-I464 HydrophobicContact SD-CD1 4.2Å; I464-I467 HydrophobicContact CG2-CD1 4.34Å; I464-M470 HydrophobicContact CG2-CE 3.9Å; I464-M470 HydrophobicContact CG2-CG 3.54Å; I464-M470 HydrophobicContact CG2-SD 3.92Å; I464-L492 HydrophobicContact CG1-CD1 3.94Å; I464-I503 HydrophobicContact CG1-CG2 4.21Å; I464-V504 PolarHBondContact N-O 2.91Å; I464-M505 HydrophobicContact CB-CG 4.32Å; I464-V506 PolarHBondContact O-N 2.88Å
465D92.8Very high89.4Confident3 Ų337.7 Ų37.72%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-120.199.5-177.8-164.318.6000111.7S397 Y415 V416 T417 G418 V463 V506S397-D465 WeakPolarHBondContact CB-OD2 3.33Å; S397-D465 PolarHBondContact OG-OD2 3.19Å; Y415-D465 HydrophobicContact CE1-CB 3.79Å; Y415-D465 PolarHBondContact OH-OD2 2.6Å; V416-D465 PolarHBondContact O-N 2.89Å; T417-D465 WeakPolarHBondContact CA-O 3.48Å; G418-D465 PolarHBondContact N-O 2.96Å; V463-D465 HydrophobicContact CG1-CB 4.29Å; D465-V506 HydrophobicContact CB-CG2 4.13Å; D465-V506 WeakPolarHBondContact OD1-CB 3.26Å; D465-V506 WeakPolarHBondContact OD1-CG1 3.36Å; D465-V506 WeakPolarHBondContact OD1-CG2 3.28Å
466S88.8Confident88Confident0 Ų036.7 Ų36.70%018%0.18CC..  cis-115.6162.7-1.578.90000111.2E419 Q468 V469 M470E419-S466 WeakPolarHBondContact OE1-CB 3.41Å; E419-S466 PolarHBondContact OE1-OG 2.87Å; S466-Q468 PolarHBondContact O-N 3.33Å; S466-Q468 PolarHBondContact OG-N 3.41Å; S466-Q468 PolarHBondContact OG-OE1 3.34Å; S466-Q468 VanDerWaalsContact OG-OE1 3.09Å; S466-V469 WeakPolarHBondContact O-CG2 3.23Å; S466-V469 PolarHBondContact O-N 2.93Å; S466-M470 WeakPolarHBondContact O-CG 3.35Å
467I90.1Very high86.5Confident0 Ų030.4 Ų30.40%015%0.153CC..G310 helixtrans-63.4-23.9178.9-163.463.3000112.4I464 V469 M470 V485 T488 L492 M505 V506 L521I464-I467 HydrophobicContact CG2-CD1 4.34Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 3.38Å; I467-M470 HydrophobicContact CD1-CB 4.38Å; I467-M470 HydrophobicContact CD1-CG 4.43Å; I467-M470 PolarHBondContact O-N 3.33Å; I467-V485 HydrophobicContact CG1-CG1 4.16Å; I467-V485 HydrophobicContact CG2-CG1 3.89Å; I467-T488 HydrophobicContact CD1-CG2 3.66Å; I467-L492 HydrophobicContact CD1-CD1 3.71Å; I467-M505 HydrophobicContact CD1-CG 4.22Å; I467-M505 HydrophobicContact CD1-SD 3.93Å; I467-M505 HydrophobicContact CG1-SD 4.45Å; I467-V506 WeakPolarHBondContact CG2-O 3.37Å; I467-V506 PolarHBondContact N-O 2.82Å; I467-L521 HydrophobicContact CG2-CD1 4.22Å
468Q85.6Confident85Confident20 Ų2028.4 Ų28.49%0.09315%0.147CC..G310 helixtrans-63.3-34179-73.780.6-1.900112.4S466 M470 P479 G480 V506 H508 A516S466-Q468 PolarHBondContact O-N 3.33Å; S466-Q468 PolarHBondContact OG-N 3.41Å; S466-Q468 PolarHBondContact OG-OE1 3.34Å; S466-Q468 VanDerWaalsContact OG-OE1 3.09Å; Q468-M470 VanDerWaalsContact C-N 3.33Å; Q468-P479 CarbonylContact O-C 3.56Å; Q468-G480 WeakPolarHBondContact O-CA 3.21Å; Q468-G480 PolarHBondContact O-N 3.14Å; Q468-V506 PolarHBondContact OE1-O 2.83Å; Q468-H508 PolarHBondContact NE2-O 3.39Å; Q468-A516 HydrophobicContact CG-CB 3.92Å; Q468-A516 VanDerWaalsContact NE2-CB 3.29Å
469V87.7Confident83.5Confident41 Ų4125.7 Ų25.725%0.24814%0.139CC..G310 helixtrans-90.5-1.9-178.5-67.50000113.3E419 S466 I467E419-V469 HydrophobicContact CG-CB 4.31Å; E419-V469 HydrophobicContact CG-CG1 3.53Å; E419-V469 HydrophobicContact CG-CG2 3.8Å; S466-V469 WeakPolarHBondContact O-CG2 3.23Å; S466-V469 PolarHBondContact O-N 2.93Å; I467-V469 VanDerWaalsContact C-N 3.29Å; I467-V469 PolarHBondContact O-N 3.38Å
470M89.4Confident82.3Confident0 Ų025.8 Ų25.80%014%0.142CC..  trans-85148.3-178.9-60-67.6146.500111.4V416 T445 I447 I450 I464 S466 I467 Q468 T488V416-M470 HydrophobicContact CG1-CE 4.37Å; T445-M470 WeakPolarHBondContact O-CA 3.2Å; I447-M470 HydrophobicContact CD1-CB 3.88Å; I447-M470 HydrophobicContact CD1-CG 4.1Å; I447-M470 HydrophobicContact CD1-SD 4.24Å; I447-M470 HydrophobicContact CG1-CB 3.87Å; I450-M470 HydrophobicContact CD1-SD 3.55Å; I450-M470 VanDerWaalsContact CD1-SD 3.55Å; I464-M470 HydrophobicContact CG2-CE 3.9Å; I464-M470 HydrophobicContact CG2-CG 3.54Å; I464-M470 HydrophobicContact CG2-SD 3.92Å; S466-M470 WeakPolarHBondContact O-CG 3.35Å; I467-M470 HydrophobicContact CD1-CB 4.38Å; I467-M470 HydrophobicContact CD1-CG 4.43Å; I467-M470 PolarHBondContact O-N 3.33Å; Q468-M470 VanDerWaalsContact C-N 3.33Å; M470-T488 HydrophobicContact CB-CG2 3.91Å
471H87Confident81.2Confident41 Ų4120.1 Ų20.119%0.1912%0.119CC..BIsolated β-bridgetrans-140.5152.9-178.673.5-84.7000112.5T445 S446 I447 P479 Q484T445-H471 PolarHBondContact O-N 3.15Å; T445-H471 PolarHBondContact O-ND1 3.22Å; T445-H471 VanDerWaalsContact O-ND1 3.1Å; T445-H471 PolarHBondContact OG1-CE1 3.42Å; T445-H471 PolarHBondContact OG1-ND1 3.19Å; S446-H471 PolarHBondContact N-CE1 3.35Å; I447-H471 PolarHBondContact N-O 3.34Å; H471-P479 HydrophobicContact CB-CB 4.5Å; H471-P479 HydrophobicContact CB-CG 3.98Å; H471-Q484 HydrophobicContact CB-CG 4.37Å
472M83.4Confident80.3Confident16 Ų1622.5 Ų22.58%0.07913%0.134CC..  trans-117.9138.7165.8-67.8-168.8-50.900108.8I447 E448 D474 V475 Q484 E487 Y491I447-M472 HydrophobicContact CB-CG 3.92Å; I447-M472 HydrophobicContact CG2-CG 4.13Å; I447-M472 HydrophobicContact CG2-SD 4.3Å; E448-M472 WeakPolarHBondContact OE1-CA 3.46Å; E448-M472 WeakPolarHBondContact OE1-CB 3.41Å; M472-D474 VanDerWaalsContact C-N 3.29Å; M472-D474 PolarHBondContact O-N 3.46Å; M472-V475 HydrophobicContact CB-CG2 4.2Å; M472-V475 HydrophobicContact CE-CG2 3.74Å; M472-V475 PolarHBondContact O-N 3.23Å; M472-Q484 PolarHBondContact O-NE2 3.13Å; M472-E487 HydrophobicContact CE-CB 3.41Å; M472-E487 VanDerWaalsContact CE-CB 3.41Å; M472-E487 WeakPolarHBondContact CE-O 3.33Å; M472-Y491 WeakPolarHBondContact SD-CB 3.39Å; M472-Y491 HydrophobicContact SD-CD1 4.38Å; M472-Y491 HydrophobicContact SD-CD2 3.79Å; M472-Y491 HydrophobicContact SD-CG 3.62Å
473A76.2Confident79.4Confident18 Ų1824.5 Ų24.515%0.14915%0.15CC..THydrogen-bonded Turntrans-67.5-31.1-177.200000112.4R326 E448 V475R326-A473 HydrophobicContact CB-CB 4.49Å; R326-A473 HydrophobicContact CG-CB 4.49Å; E448-A473 PolarHBondContact OE1-N 2.74Å; A473-V475 PolarHBondContact O-N 3.31Å
474D70.4Confident78.6Confident77 Ų7724.7 Ų24.741%0.41215%0.151SC..THydrogen-bonded Turntrans-76.43.2-176.9-75.7-7.6000113.6E324 R338 M472E324-D474 CarbonylContact O-C 3.58Å; R338-D474 IonicContact CZ-OD2 2.67Å; R338-D474 IonicContact NH1-OD2 3.63Å; R338-D474 IonicContact NH2-OD2 3.55Å; R338-D474 PolarHBondContact NH2-OD2 3.27Å; R338-D474 VanDerWaalsContact NH2-OD2 3.15Å; M472-D474 VanDerWaalsContact C-N 3.29Å; M472-D474 PolarHBondContact O-N 3.46Å
475V69.7Low78.2Confident19 Ų1924.7 Ų24.712%0.11515%0.151CC..  trans-122.7108.8-178-171.60000109.3M472 A473 S477 Q484 E487M472-V475 HydrophobicContact CB-CG2 4.2Å; M472-V475 HydrophobicContact CE-CG2 3.74Å; M472-V475 PolarHBondContact O-N 3.23Å; A473-V475 PolarHBondContact O-N 3.31Å; V475-S477 WeakPolarHBondContact CG1-OG 3.45Å; V475-S477 PolarHBondContact O-N 2.83Å; V475-Q484 PolarHBondContact O-OE1 3.4Å; V475-E487 HydrophobicContact CG1-CG 4.39Å; V475-E487 HydrophobicContact CG2-CB 3.91Å; V475-E487 HydrophobicContact CG2-CG 4.15Å
476Q63.8Low77.9Confident50 Ų5030 Ų3023%0.23417%0.171CC..  trans-73.481.9164.2-80.4141.242.500106.8I322 T323 E324I322-Q476 VanDerWaalsContact C-NE2 3.28Å; I322-Q476 PolarHBondContact O-NE2 2.66Å; I322-Q476 PolarHBondContact O-OE1 2.89Å; T323-Q476 VanDerWaalsContact CA-CG 3.42Å; T323-Q476 VanDerWaalsContact CA-N 3.31Å; T323-Q476 HydrophobicContact CG2-CB 3.88Å; T323-Q476 VanDerWaalsContact N-NE2 3.14Å; T323-Q476 PolarHBondContact O-NE2 2.78Å; E324-Q476 HydrophobicContact CB-CG 3.74Å; E324-Q476 VanDerWaalsContact N-CD 3.28Å; E324-Q476 VanDerWaalsContact N-N 3.1Å; E324-Q476 VanDerWaalsContact N-NE2 3.13Å
477S62.3Low77.9Confident24 Ų2433.4 Ų33.417%0.16819%0.186CC..SBendtrans-147.7144.1150.860.10000106.8V475 S481 A483 Q484V475-S477 WeakPolarHBondContact CG1-OG 3.45Å; V475-S477 PolarHBondContact O-N 2.83Å; S477-S481 WeakPolarHBondContact CB-OG 3.47Å; S477-S481 PolarHBondContact OG-OG 3.3Å; S477-S481 VanDerWaalsContact OG-OG 3.05Å; S477-A483 WeakPolarHBondContact OG-CB 3.47Å; S477-Q484 PolarHBondContact O-NE2 3.34Å; S477-Q484 PolarHBondContact O-OE1 3.16Å; S477-Q484 WeakPolarHBondContact OG-CA 3.4Å; S477-Q484 WeakPolarHBondContact OG-CB 3.19Å; S477-Q484 PolarHBondContact OG-N 2.84Å; S477-Q484 PolarHBondContact OG-OE1 3.09Å
478S63Low77.9Confident24 Ų2433.4 Ų33.417%0.16819%0.186CC..  trans-59147.5-179-53.70000110.4G18 P20 G480 S481 Q484G18-S478 PolarHBondContact O-OG 3.41Å; P20-S478 WeakPolarHBondContact CD-OG 3.29Å; S478-G480 PolarHBondContact O-N 3.01Å; S478-S481 VanDerWaalsContact O-CB 3.25Å; S478-S481 WeakPolarHBondContact O-CB 3.42Å; S478-S481 PolarHBondContact O-N 2.87Å; S478-S481 PolarHBondContact O-OG 3.46Å; S478-Q484 WeakPolarHBondContact O-CB 3.06Å
479P63.7Low78.2Confident62 Ų6232.4 Ų32.440%0.40318%0.182SC..THydrogen-bonded Turntrans-45.3132.4163.9-2027.6000109.7Q468 H471 S481Q468-P479 CarbonylContact O-C 3.56Å; H471-P479 HydrophobicContact CB-CB 4.5Å; H471-P479 HydrophobicContact CB-CG 3.98Å; P479-S481 VanDerWaalsContact C-N 3.35Å
480G70Confident78.3Confident11 Ų1131 Ų3111%0.11318%0.175CC..THydrogen-bonded Turntrans94.5-19.6-179.800000114.1Q468 S478 L515Q468-G480 WeakPolarHBondContact O-CA 3.21Å; Q468-G480 PolarHBondContact O-N 3.14Å; S478-G480 PolarHBondContact O-N 3.01Å; G480-L515 WeakPolarHBondContact O-CD2 3.14Å; G480-L515 VanDerWaalsContact O-CG 3.32Å; G480-L515 WeakPolarHBondContact O-CG 3.49Å
481S73.5Confident78.5Confident13 Ų1335.6 Ų35.69%0.09119%0.192CC..SBendtrans-65.9151.4174.170.50000112S477 S478 P479 A483 Q484 V485S477-S481 WeakPolarHBondContact CB-OG 3.47Å; S477-S481 PolarHBondContact OG-OG 3.3Å; S477-S481 VanDerWaalsContact OG-OG 3.05Å; S478-S481 VanDerWaalsContact O-CB 3.25Å; S478-S481 WeakPolarHBondContact O-CB 3.42Å; S478-S481 PolarHBondContact O-N 2.87Å; S478-S481 PolarHBondContact O-OG 3.46Å; P479-S481 VanDerWaalsContact C-N 3.35Å; S481-A483 PolarHBondContact O-N 3.35Å; S481-Q484 PolarHBondContact O-N 2.82Å; S481-Q484 VanDerWaalsContact O-N 3.17Å; S481-Q484 WeakPolarHBondContact OG-CB 3.34Å; S481-Q484 PolarHBondContact OG-N 2.91Å; S481-V485 WeakPolarHBondContact O-CB 3.34Å; S481-V485 WeakPolarHBondContact O-CG2 3.4Å; S481-V485 PolarHBondContact O-N 3.46Å
482V78.6Confident78.8Confident54 Ų5433.6 Ų33.633%0.32718%0.183SC..Hα-helixtrans-53.8-40.8179173.70000112.3R486 V520V482-R486 VanDerWaalsContact O-CB 3.24Å; V482-R486 WeakPolarHBondContact O-CB 3.28Å; V482-R486 PolarHBondContact O-N 2.98Å; V482-V520 HydrophobicContact CG1-CG1 3.72Å
483A78Confident79.3Confident41 Ų4132.9 Ų32.934%0.33918%0.18SC..Hα-helixtrans-66.8-49179.200000111.3S477 S481 V485 R486 E487S477-A483 WeakPolarHBondContact OG-CB 3.47Å; S481-A483 PolarHBondContact O-N 3.35Å; A483-V485 PolarHBondContact O-N 3.39Å; A483-R486 PolarHBondContact O-N 2.82Å; A483-E487 WeakPolarHBondContact O-CG 3.43Å; A483-E487 PolarHBondContact O-N 2.82Å
484Q81.7Confident80Confident4 Ų436 Ų362%0.01919%0.188CC..Hα-helixtrans-58.1-52.4178.4-15670.4-10.200110.2H471 M472 V475 S477 S478 S481 R486 E487 T488H471-Q484 HydrophobicContact CB-CG 4.37Å; M472-Q484 PolarHBondContact O-NE2 3.13Å; V475-Q484 PolarHBondContact O-OE1 3.4Å; S477-Q484 PolarHBondContact O-NE2 3.34Å; S477-Q484 PolarHBondContact O-OE1 3.16Å; S477-Q484 WeakPolarHBondContact OG-CA 3.4Å; S477-Q484 WeakPolarHBondContact OG-CB 3.19Å; S477-Q484 PolarHBondContact OG-N 2.84Å; S477-Q484 PolarHBondContact OG-OE1 3.09Å; S478-Q484 WeakPolarHBondContact O-CB 3.06Å; S481-Q484 PolarHBondContact O-N 2.82Å; S481-Q484 VanDerWaalsContact O-N 3.17Å; S481-Q484 WeakPolarHBondContact OG-CB 3.34Å; S481-Q484 PolarHBondContact OG-N 2.91Å; Q484-R486 VanDerWaalsContact C-N 3.31Å; Q484-R486 PolarHBondContact O-N 2.51Å; Q484-E487 PolarHBondContact O-N 3.36Å; Q484-T488 WeakPolarHBondContact O-CB 3.38Å; Q484-T488 PolarHBondContact O-N 3.21Å; Q484-T488 PolarHBondContact O-OG1 3.4Å
485V86.5Confident81.1Confident0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-60-41.4-177.7171.40000111.6I467 S481 A483 A489 A516 L521I467-V485 HydrophobicContact CG1-CG1 4.16Å; I467-V485 HydrophobicContact CG2-CG1 3.89Å; S481-V485 WeakPolarHBondContact O-CB 3.34Å; S481-V485 WeakPolarHBondContact O-CG2 3.4Å; S481-V485 PolarHBondContact O-N 3.46Å; A483-V485 PolarHBondContact O-N 3.39Å; V485-A489 VanDerWaalsContact O-CB 3.25Å; V485-A489 WeakPolarHBondContact O-CB 3.46Å; V485-A489 PolarHBondContact O-N 3.38Å; V485-A516 HydrophobicContact CB-CB 4.32Å; V485-A516 HydrophobicContact CG1-CB 3.72Å; V485-A516 HydrophobicContact CG2-CB 4.13Å; V485-L521 HydrophobicContact CG1-CD1 3.7Å; V485-L521 HydrophobicContact CG1-CD2 3.83Å; V485-L521 HydrophobicContact CG1-CG 4.01Å
486R87.3Confident82.3Confident116 Ų11632.2 Ų32.244%0.43817%0.166SC..Hα-helixtrans-67.1-48.9179-170-172.273-169.41.6112.7V482 A483 Q484 T488 A489 A490 L521V482-R486 VanDerWaalsContact O-CB 3.24Å; V482-R486 WeakPolarHBondContact O-CB 3.28Å; V482-R486 PolarHBondContact O-N 2.98Å; A483-R486 PolarHBondContact O-N 2.82Å; Q484-R486 VanDerWaalsContact C-N 3.31Å; Q484-R486 PolarHBondContact O-N 2.51Å; R486-T488 VanDerWaalsContact C-N 3.34Å; R486-A489 PolarHBondContact O-N 3.45Å; R486-A490 WeakPolarHBondContact O-CB 3.31Å; R486-A490 PolarHBondContact O-N 3.29Å; R486-L521 HydrophobicContact CB-CD2 4.37Å
487E87.7Confident83.6Confident70 Ų7032.2 Ų32.233%0.32717%0.165SC..Hα-helixtrans-66.5-40.9-179.1-64.4-53.8137.100110.6M472 V475 A483 Q484 A490 Y491M472-E487 HydrophobicContact CE-CB 3.41Å; M472-E487 VanDerWaalsContact CE-CB 3.41Å; M472-E487 WeakPolarHBondContact CE-O 3.33Å; V475-E487 HydrophobicContact CG1-CG 4.39Å; V475-E487 HydrophobicContact CG2-CB 3.91Å; V475-E487 HydrophobicContact CG2-CG 4.15Å; A483-E487 WeakPolarHBondContact O-CG 3.43Å; A483-E487 PolarHBondContact O-N 2.82Å; Q484-E487 PolarHBondContact O-N 3.36Å; E487-A490 PolarHBondContact O-N 3.05Å; E487-Y491 WeakPolarHBondContact O-CB 3.44Å; E487-Y491 PolarHBondContact O-N 3.4Å
488T90.6Very high84.7Confident0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-60.9-46.8175.6-57.70000112.1I447 I467 M470 Q484 R486 A490 Y491 L492I447-T488 HydrophobicContact CB-CG2 4.17Å; I447-T488 HydrophobicContact CD1-CG2 3.29Å; I447-T488 HydrophobicContact CG1-CG2 3.28Å; I447-T488 HydrophobicContact CG2-CG2 4.29Å; I467-T488 HydrophobicContact CD1-CG2 3.66Å; M470-T488 HydrophobicContact CB-CG2 3.91Å; Q484-T488 WeakPolarHBondContact O-CB 3.38Å; Q484-T488 PolarHBondContact O-N 3.21Å; Q484-T488 PolarHBondContact O-OG1 3.4Å; R486-T488 VanDerWaalsContact C-N 3.34Å; T488-A490 VanDerWaalsContact C-N 3.32Å; T488-A490 PolarHBondContact O-N 3.3Å; T488-Y491 PolarHBondContact O-N 2.92Å; T488-L492 HydrophobicContact CG2-CD1 4.34Å; T488-L492 WeakPolarHBondContact O-CG 3.32Å; T488-L492 PolarHBondContact O-N 3.16Å
489A92Very high86Confident0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-63.6-37.3176.600000112.2V485 R486 T493 M505 L521V485-A489 VanDerWaalsContact O-CB 3.25Å; V485-A489 WeakPolarHBondContact O-CB 3.46Å; V485-A489 PolarHBondContact O-N 3.38Å; R486-A489 PolarHBondContact O-N 3.45Å; A489-T493 WeakPolarHBondContact O-CB 3.13Å; A489-T493 PolarHBondContact O-N 2.7Å; A489-T493 PolarHBondContact O-OG1 3.29Å; A489-M505 HydrophobicContact CB-SD 3.97Å; A489-L521 HydrophobicContact CB-CD1 4.19Å; A489-L521 HydrophobicContact CB-CD2 3.62Å; A489-L521 HydrophobicContact CB-CG 4.46Å
490A90.7Very high87.3Confident12 Ų1236.1 Ų36.110%0.09918%0.183CC..Hα-helixtrans-66-39.7175.500000112R486 E487 T488 T493 R494R486-A490 WeakPolarHBondContact O-CB 3.31Å; R486-A490 PolarHBondContact O-N 3.29Å; E487-A490 PolarHBondContact O-N 3.05Å; T488-A490 VanDerWaalsContact C-N 3.32Å; T488-A490 PolarHBondContact O-N 3.3Å; A490-T493 PolarHBondContact O-N 2.84Å; A490-R494 PolarHBondContact O-N 2.77Å
491Y92.3Very high88.5Confident95 Ų9535.9 Ų35.937%0.37318%0.179SC..Hα-helixtrans-64.1-50.6175.6-170.2-84.7000111.5I447 C451 M472 E487 T488 T493 R494 F495I447-Y491 HydrophobicContact CG2-CD1 3.49Å; I447-Y491 VanDerWaalsContact CG2-CD1 3.49Å; I447-Y491 HydrophobicContact CG2-CE1 3.99Å; I447-Y491 HydrophobicContact CG2-CG 4.23Å; C451-Y491 HydrophobicContact CB-CE1 4.18Å; M472-Y491 WeakPolarHBondContact SD-CB 3.39Å; M472-Y491 HydrophobicContact SD-CD1 4.38Å; M472-Y491 HydrophobicContact SD-CD2 3.79Å; M472-Y491 HydrophobicContact SD-CG 3.62Å; E487-Y491 WeakPolarHBondContact O-CB 3.44Å; E487-Y491 PolarHBondContact O-N 3.4Å; T488-Y491 PolarHBondContact O-N 2.92Å; Y491-T493 VanDerWaalsContact C-N 3.3Å; Y491-T493 PolarHBondContact O-N 2.87Å; Y491-R494 WeakPolarHBondContact O-CB 3.42Å; Y491-R494 PolarHBondContact O-N 2.96Å; Y491-R494 VanDerWaalsContact O-N 3.09Å; Y491-F495 PolarHBondContact O-N 2.9Å
492L94.7Very high89.6Confident0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-58.8-41175.7-72.4172.8000111.9I447 M462 I464 I467 T488 R494 F495 A496 I503 M505I447-L492 HydrophobicContact CD1-CD1 3.72Å; I447-L492 HydrophobicContact CD1-CD2 3.88Å; I447-L492 HydrophobicContact CD1-CG 3.88Å; I447-L492 HydrophobicContact CG2-CD2 4.25Å; I447-L492 HydrophobicContact CG2-CG 4.37Å; M462-L492 HydrophobicContact CE-CD2 4.13Å; I464-L492 HydrophobicContact CG1-CD1 3.94Å; I467-L492 HydrophobicContact CD1-CD1 3.71Å; T488-L492 HydrophobicContact CG2-CD1 4.34Å; T488-L492 WeakPolarHBondContact O-CG 3.32Å; T488-L492 PolarHBondContact O-N 3.16Å; L492-R494 VanDerWaalsContact C-N 3.29Å; L492-R494 PolarHBondContact O-N 3.28Å; L492-F495 WeakPolarHBondContact O-CB 3.35Å; L492-F495 PolarHBondContact O-N 3.01Å; L492-A496 WeakPolarHBondContact O-CB 3.3Å; L492-A496 PolarHBondContact O-N 3.32Å; L492-I503 HydrophobicContact CB-CD1 4.21Å; L492-I503 HydrophobicContact CD2-CD1 4.29Å; L492-I503 VanDerWaalsContact O-CD1 3.23Å; L492-I503 WeakPolarHBondContact O-CD1 3.36Å; L492-M505 HydrophobicContact CB-SD 4.21Å; L492-M505 HydrophobicContact CD1-CG 3.97Å; L492-M505 HydrophobicContact CD1-SD 3.67Å
493T93.2Very high90.5Very high1 Ų132.7 Ų32.71%0.00616%0.159CC..Hα-helixtrans-62.2-38.1176.7-57.90000111.9A385 A489 A490 Y491 K497A385-T493 HydrophobicContact CB-CG2 3.84Å; A385-T493 VanDerWaalsContact CB-OG1 3.3Å; A385-T493 WeakPolarHBondContact CB-OG1 3.27Å; A489-T493 WeakPolarHBondContact O-CB 3.13Å; A489-T493 PolarHBondContact O-N 2.7Å; A489-T493 PolarHBondContact O-OG1 3.29Å; A490-T493 PolarHBondContact O-N 2.84Å; Y491-T493 VanDerWaalsContact C-N 3.3Å; Y491-T493 PolarHBondContact O-N 2.87Å; T493-K497 WeakPolarHBondContact O-CG 3.24Å; T493-K497 PolarHBondContact O-N 2.94Å
494R90.9Very high91.4Very high83 Ų8331 Ų3131%0.31314%0.144SC..Hα-helixtrans-65.8-47.8173.7-169.1-175.7-51.8-144.54110.8R338 A490 Y491 L492 A496 K497 T498R338-R494 PolarHBondContact O-NH1 2.98Å; A490-R494 PolarHBondContact O-N 2.77Å; Y491-R494 WeakPolarHBondContact O-CB 3.42Å; Y491-R494 PolarHBondContact O-N 2.96Å; Y491-R494 VanDerWaalsContact O-N 3.09Å; L492-R494 VanDerWaalsContact C-N 3.29Å; L492-R494 PolarHBondContact O-N 3.28Å; R494-A496 VanDerWaalsContact C-N 3.31Å; R494-A496 PolarHBondContact O-N 3.35Å; R494-K497 PolarHBondContact O-N 3Å; R494-K497 VanDerWaalsContact O-N 3.13Å; R494-T498 WeakPolarHBondContact O-CB 3.38Å; R494-T498 PolarHBondContact O-N 2.58Å; R494-T498 PolarHBondContact O-OG1 2.77Å
495F93.5Very high92Very high17 Ų1730.8 Ų30.88%0.07514%0.143CC..Hα-helixtrans-55.2-45.8177.4-174.4-99.3000112C451 A454 E455 M462 Y491 L492 K497 T498 R499 V501 I503C451-F495 HydrophobicContact CB-CD2 3.82Å; C451-F495 HydrophobicContact CB-CE2 3.66Å; C451-F495 HydrophobicContact CB-CG 4.4Å; C451-F495 HydrophobicContact CB-CZ 4.12Å; C451-F495 WeakPolarHBondContact O-CZ 3.33Å; C451-F495 VanDerWaalsContact SG-CD2 3.56Å; C451-F495 VanDerWaalsContact SG-CG 3.55Å; A454-F495 HydrophobicContact CB-CE1 3.86Å; A454-F495 HydrophobicContact CB-CZ 3.78Å; E455-F495 HydrophobicContact CG-CE2 3.7Å; E455-F495 HydrophobicContact CG-CZ 3.89Å; M462-F495 HydrophobicContact CE-CD1 4.36Å; M462-F495 HydrophobicContact CE-CE1 4.34Å; Y491-F495 PolarHBondContact O-N 2.9Å; L492-F495 WeakPolarHBondContact O-CB 3.35Å; L492-F495 PolarHBondContact O-N 3.01Å; F495-K497 PolarHBondContact O-N 2.68Å; F495-T498 PolarHBondContact O-N 3.5Å; F495-R499 HydrophobicContact CD2-CG 4.06Å; F495-R499 HydrophobicContact CE1-CG 4.41Å; F495-R499 HydrophobicContact CE2-CG 3.78Å; F495-R499 HydrophobicContact CG-CG 4.5Å; F495-R499 HydrophobicContact CZ-CG 3.97Å; F495-R499 WeakPolarHBondContact O-CB 3.49Å; F495-R499 PolarHBondContact O-N 2.86Å; F495-V501 HydrophobicContact CD1-CG1 3.85Å; F495-V501 HydrophobicContact CE1-CG1 3.82Å; F495-I503 HydrophobicContact CD1-CD1 3.97Å
496A94.4Very high92.3Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-52.6-53.5174.100000111.4G383 L492 R494 T498 G500 V501 I503G383-A496 WeakPolarHBondContact CA-O 3.15Å; L492-A496 WeakPolarHBondContact O-CB 3.3Å; L492-A496 PolarHBondContact O-N 3.32Å; R494-A496 VanDerWaalsContact C-N 3.31Å; R494-A496 PolarHBondContact O-N 3.35Å; A496-T498 PolarHBondContact O-N 2.65Å; A496-G500 WeakPolarHBondContact O-CA 3.44Å; A496-G500 PolarHBondContact O-N 2.82Å; A496-V501 WeakPolarHBondContact CA-O 3.33Å; A496-V501 WeakPolarHBondContact CB-O 3.25Å; A496-V501 PolarHBondContact O-N 3.11Å; A496-I503 HydrophobicContact CB-CD1 3.7Å; A496-I503 HydrophobicContact CB-CG1 3.9Å
497K90.3Very high92.3Very high50 Ų5025.3 Ų25.322%0.21712%0.123CC..Hα-helixtrans-66.7-37.9-177-68.2-178.9-175.2-161.20113.4G344 G383 T493 R494 F495 D526G344-K497 VanDerWaalsContact CA-O 3.31Å; G344-K497 WeakPolarHBondContact CA-O 3.38Å; G383-K497 WeakPolarHBondContact O-CG 3.36Å; T493-K497 WeakPolarHBondContact O-CG 3.24Å; T493-K497 PolarHBondContact O-N 2.94Å; R494-K497 PolarHBondContact O-N 3Å; R494-K497 VanDerWaalsContact O-N 3.13Å; F495-K497 PolarHBondContact O-N 2.68Å; K497-D526 IonicContact NZ-OD1 3.93Å; K497-D526 PolarHBondContact NZ-OD1 3.37Å; K497-D526 VanDerWaalsContact NZ-OD1 3.14Å; K497-D526 IonicContact NZ-OD2 2.64Å
498T86.8Confident91.7Very high44 Ų4423.8 Ų23.827%0.2712%0.116SC..Hα-helixtrans-74.8-36.4-178.1-59.10000112.1S345 R494 F495 A496S345-T498 VanDerWaalsContact OG-CG2 3.3Å; S345-T498 WeakPolarHBondContact OG-CG2 3.4Å; S345-T498 PolarHBondContact OG-O 3.46Å; R494-T498 WeakPolarHBondContact O-CB 3.38Å; R494-T498 PolarHBondContact O-N 2.58Å; R494-T498 PolarHBondContact O-OG1 2.77Å; F495-T498 PolarHBondContact O-N 3.5Å; A496-T498 PolarHBondContact O-N 2.65Å
499R90.3Very high90.7Very high107 Ų10725.4 Ų25.440%0.40413%0.126SC..Hα-helixtrans-101.7-6.9-176.1-59.5-60.4-175.8-160.60.1114.1E455 F495 V501E455-R499 IonicContact OE1-CZ 3.23Å; E455-R499 IonicContact OE1-NE 2.77Å; E455-R499 PolarHBondContact OE1-NE 3.46Å; E455-R499 IonicContact OE1-NH2 2.83Å; E455-R499 PolarHBondContact OE1-NH2 3.47Å; E455-R499 IonicContact OE2-NH2 3.05Å; E455-R499 PolarHBondContact OE2-NH2 3.14Å; F495-R499 HydrophobicContact CD2-CG 4.06Å; F495-R499 HydrophobicContact CE1-CG 4.41Å; F495-R499 HydrophobicContact CE2-CG 3.78Å; F495-R499 HydrophobicContact CG-CG 4.5Å; F495-R499 HydrophobicContact CZ-CG 3.97Å; F495-R499 WeakPolarHBondContact O-CB 3.49Å; F495-R499 PolarHBondContact O-N 2.86Å; R499-V501 HydrophobicContact CB-CG1 4.29Å; R499-V501 PolarHBondContact O-N 2.9Å
500G90.2Very high89.1Confident41 Ų4127.6 Ų27.642%0.42314%0.139SC..THydrogen-bonded Turntrans71.712.8-178.800000114.4G383 A496G383-G500 PolarHBondContact N-O 2.67Å; G383-G500 VanDerWaalsContact N-O 3.13Å; A496-G500 WeakPolarHBondContact O-CA 3.44Å; A496-G500 PolarHBondContact O-N 2.82Å
501V94.4Very high87.3Confident6 Ų637.9 Ų37.94%0.03618%0.182CC..  trans-83.3136.217759.60000110.7G383 P459 M462 F495 A496 R499 I503G383-V501 VanDerWaalsContact CA-O 3.23Å; G383-V501 WeakPolarHBondContact CA-O 3.45Å; G383-V501 PolarHBondContact N-O 3.13Å; P459-V501 HydrophobicContact CG-CG2 4.36Å; P459-V501 WeakPolarHBondContact O-CG2 3.02Å; M462-V501 HydrophobicContact CB-CG2 4.16Å; F495-V501 HydrophobicContact CD1-CG1 3.85Å; F495-V501 HydrophobicContact CE1-CG1 3.82Å; A496-V501 WeakPolarHBondContact CA-O 3.33Å; A496-V501 WeakPolarHBondContact CB-O 3.25Å; A496-V501 PolarHBondContact O-N 3.11Å; R499-V501 HydrophobicContact CB-CG1 4.29Å; R499-V501 PolarHBondContact O-N 2.9Å; V501-I503 HydrophobicContact CG1-CD1 4.18Å; V501-I503 HydrophobicContact CG1-CG1 4.02Å; V501-I503 HydrophobicContact CG2-CG1 4.43Å
502A97Very high85.2Confident0 Ų038.7 Ų38.70%019%0.193CC..EExtended strand (participates in β ladder)trans-79.4130.316800000109.8F365 V380 K460 L461 M462F365-A502 HydrophobicContact CE1-CB 4.23Å; F365-A502 HydrophobicContact CZ-CB 3.94Å; V380-A502 HydrophobicContact CG1-CB 3.44Å; V380-A502 VanDerWaalsContact CG1-CB 3.44Å; K460-A502 PolarHBondContact O-N 3.14Å; K460-A502 VanDerWaalsContact O-N 3.08Å; L461-A502 CarbonylContact C-O 3.56Å; L461-A502 WeakPolarHBondContact CA-O 3.3Å; L461-A502 HydrophobicContact CD1-CB 3.85Å; M462-A502 PolarHBondContact N-O 2.81Å
503I97.7Very high82.9Confident0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-119.5127.5-179.2-55.4179.9000109.7S384 I386 M462 I464 L492 F495 A496 V501 M505S384-I503 PolarHBondContact O-N 2.84Å; I386-I503 PolarHBondContact N-O 2.84Å; M462-I503 HydrophobicContact CE-CD1 3.61Å; M462-I503 HydrophobicContact CE-CG1 3.87Å; M462-I503 HydrophobicContact CE-CG2 4.21Å; M462-I503 CarbonylContact O-C 3.55Å; M462-I503 WeakPolarHBondContact O-CA 3.31Å; I464-I503 HydrophobicContact CG1-CG2 4.21Å; L492-I503 HydrophobicContact CB-CD1 4.21Å; L492-I503 HydrophobicContact CD2-CD1 4.29Å; L492-I503 VanDerWaalsContact O-CD1 3.23Å; L492-I503 WeakPolarHBondContact O-CD1 3.36Å; F495-I503 HydrophobicContact CD1-CD1 3.97Å; A496-I503 HydrophobicContact CB-CD1 3.7Å; A496-I503 HydrophobicContact CB-CG1 3.9Å; V501-I503 HydrophobicContact CG1-CD1 4.18Å; V501-I503 HydrophobicContact CG1-CG1 4.02Å; V501-I503 HydrophobicContact CG2-CG1 4.43Å; I503-M505 HydrophobicContact CG2-CG 4.2Å
504V96.8Very high80.4Confident4 Ų443.5 Ų43.52%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-110.9119.2171.7-171.70000109.7I386 I388 L400 L461 M462 V463 I464I386-V504 HydrophobicContact CB-CG1 4.46Å; I386-V504 HydrophobicContact CB-CG2 4.23Å; I386-V504 HydrophobicContact CD1-CG2 4.22Å; I386-V504 HydrophobicContact CG2-CG1 4.4Å; I386-V504 CarbonylContact O-C 3.6Å; I386-V504 WeakPolarHBondContact O-CA 3.36Å; I388-V504 HydrophobicContact CD1-CG1 3.75Å; I388-V504 HydrophobicContact CG1-CG1 3.8Å; L400-V504 HydrophobicContact CD1-CG1 4.12Å; L400-V504 HydrophobicContact CD2-CB 4.34Å; L400-V504 HydrophobicContact CD2-CG1 3.78Å; L461-V504 HydrophobicContact CD1-CG2 3.95Å; M462-V504 PolarHBondContact O-N 2.84Å; V463-V504 CarbonylContact C-O 3.55Å; V463-V504 WeakPolarHBondContact CA-O 3.39Å; V463-V504 HydrophobicContact CG2-CB 4.18Å; I464-V504 PolarHBondContact N-O 2.91Å
505M94.8Very high78.2Confident0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3133.4177.5-67.9169.5-80.100109.9A385 I386 L387 I388 I464 I467 A489 L492 I503 I525A385-M505 HydrophobicContact CB-CE 3.88Å; I386-M505 PolarHBondContact O-N 2.93Å; L387-M505 CarbonylContact C-O 3.6Å; L387-M505 WeakPolarHBondContact CA-O 3.38Å; L387-M505 HydrophobicContact CD1-CB 4.09Å; I388-M505 PolarHBondContact N-O 2.86Å; I464-M505 HydrophobicContact CB-CG 4.32Å; I467-M505 HydrophobicContact CD1-CG 4.22Å; I467-M505 HydrophobicContact CD1-SD 3.93Å; I467-M505 HydrophobicContact CG1-SD 4.45Å; A489-M505 HydrophobicContact CB-SD 3.97Å; L492-M505 HydrophobicContact CB-SD 4.21Å; L492-M505 HydrophobicContact CD1-CG 3.97Å; L492-M505 HydrophobicContact CD1-SD 3.67Å; I503-M505 HydrophobicContact CG2-CG 4.2Å; M505-I525 HydrophobicContact CE-CG2 3.53Å
506V92.7Very high76.2Confident0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-91.7129.7172.6-178.10000109.5K396 L400 I464 D465 I467 Q468K396-V506 HydrophobicContact CB-CG1 4.15Å; K396-V506 HydrophobicContact CD-CG1 3.94Å; L400-V506 HydrophobicContact CD1-CG2 3.32Å; I464-V506 PolarHBondContact O-N 2.88Å; D465-V506 HydrophobicContact CB-CG2 4.13Å; D465-V506 WeakPolarHBondContact OD1-CB 3.26Å; D465-V506 WeakPolarHBondContact OD1-CG1 3.36Å; D465-V506 WeakPolarHBondContact OD1-CG2 3.28Å; I467-V506 WeakPolarHBondContact CG2-O 3.37Å; I467-V506 PolarHBondContact N-O 2.82Å; Q468-V506 PolarHBondContact OE1-O 2.83Å
507G87.2Confident74.3Confident2 Ų240.2 Ų40.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-123.3124.2172.700000112.1I388 G389 G390I388-G507 PolarHBondContact O-N 2.84Å; G389-G507 VanDerWaalsContact CA-O 3.27Å; G389-G507 WeakPolarHBondContact CA-O 3.28Å; G390-G507 PolarHBondContact N-O 2.73Å
508H76.1Confident72.5Confident37 Ų3738.9 Ų38.917%0.17122%0.219CC..EExtended strand (participates in β ladder)trans-75.2133.9168.3-67.6100.8000112.3K396 E419 Q468K396-H508 PolarHBondContact NZ-CD2 2.82Å; K396-H508 PolarHBondContact NZ-NE2 3Å; E419-H508 IonicContact OE1-CE1 2.68Å; E419-H508 IonicContact OE1-ND1 3.99Å; E419-H508 IonicContact OE2-CE1 3.15Å; Q468-H508 PolarHBondContact NE2-O 3.39Å
509V69.5Low71.5Confident34 Ų3445.1 Ų45.121%0.20624%0.243CC..PPolyproline II helixtrans-90.4121.1171.8-171.40000108.8G390 P518 L530G390-V509 PolarHBondContact O-N 2.81Å; V509-P518 HydrophobicContact CG2-CG 4.15Å; V509-L530 HydrophobicContact CG2-CD1 4.04Å
510T57.8Low70.5Confident46 Ų4642 Ų4228%0.28224%0.236SC..PPolyproline II helixtrans-85.3156.9171.660.20000111.1D512 G513 L515T510-D512 WeakPolarHBondContact CB-OD1 3.33Å; T510-D512 PolarHBondContact O-N 2.85Å; T510-D512 PolarHBondContact OG1-OD1 2.88Å; T510-G513 PolarHBondContact O-N 3.16Å; T510-L515 HydrophobicContact CG2-CB 3.96Å; T510-L515 PolarHBondContact OG1-N 2.99Å
511K52.2Low70Confident229 Ų22940.1 Ų40.1100%0.99622%0.215SC*.THydrogen-bonded Turntrans-56.9-21.9-173.5-71.1-176.8177.11790114.9
512D47.9Very low69.1Low112 Ų11242.5 Ų42.560%0.59923%0.226SC*.THydrogen-bonded Turntrans-106.7-2.1-178.559.7-11.7000113.1T510 S514T510-D512 WeakPolarHBondContact CB-OD1 3.33Å; T510-D512 PolarHBondContact O-N 2.85Å; T510-D512 PolarHBondContact OG1-OD1 2.88Å; D512-S514 PolarHBondContact O-N 3.2Å; D512-S514 VanDerWaalsContact O-N 3.12Å; D512-S514 PolarHBondContact OD1-N 3.32Å; D512-S514 PolarHBondContact OD1-OG 2.85Å; D512-S514 VanDerWaalsContact OD1-OG 3.09Å; D512-S514 VanDerWaalsContact OD2-CB 3.27Å; D512-S514 WeakPolarHBondContact OD2-CB 3.35Å; D512-S514 PolarHBondContact OD2-OG 3.3Å
513G48Very low68.1Low40 Ų4049.9 Ų49.941%0.41226%0.26SS..SBendtrans63.210.4-176.100000114.6T510T510-G513 PolarHBondContact O-N 3.16Å
514S39Very low67.4Low61 Ų6151.4 Ų51.443%0.42727%0.271SS..  trans-85.1-25.3-16873.70000113.6D512D512-S514 PolarHBondContact O-N 3.2Å; D512-S514 VanDerWaalsContact O-N 3.12Å; D512-S514 PolarHBondContact OD1-N 3.32Å; D512-S514 PolarHBondContact OD1-OG 2.85Å; D512-S514 VanDerWaalsContact OD1-OG 3.09Å; D512-S514 VanDerWaalsContact OD2-CB 3.27Å; D512-S514 WeakPolarHBondContact OD2-CB 3.35Å; D512-S514 PolarHBondContact OD2-OG 3.3Å
515L45.3Very low67Low27 Ų2751.2 Ų51.214%0.14127%0.27CS..SBendtrans-113.4110.7-177.2-148.384.9000111.3H34 G480 T510 G517H34-L515 WeakPolarHBondContact NE2-CD1 3.33Å; G480-L515 WeakPolarHBondContact O-CD2 3.14Å; G480-L515 VanDerWaalsContact O-CG 3.32Å; G480-L515 WeakPolarHBondContact O-CG 3.49Å; T510-L515 HydrophobicContact CG2-CB 3.96Å; T510-L515 PolarHBondContact OG1-N 2.99Å; L515-G517 PolarHBondContact O-N 2.53Å
516A51.8Low66.8Low1 Ų151.4 Ų51.41%0.00827%0.271CS..SBendtrans5027.8177.300000115.1Q468 V485Q468-A516 HydrophobicContact CG-CB 3.92Å; Q468-A516 VanDerWaalsContact NE2-CB 3.29Å; V485-A516 HydrophobicContact CB-CB 4.32Å; V485-A516 HydrophobicContact CG1-CB 3.72Å; V485-A516 HydrophobicContact CG2-CB 4.13Å
517G53.6Low66.8Low4 Ų451.5 Ų51.54%0.04127%0.271CS..  trans-58.6149.7171.600000110.4L515 K519 V520L515-G517 PolarHBondContact O-N 2.53Å; G517-K519 PolarHBondContact O-N 3.04Å; G517-V520 WeakPolarHBondContact O-CB 3.41Å; G517-V520 PolarHBondContact O-N 3.19Å
518P54.1Low67Low22 Ų2251.5 Ų51.514%0.14327%0.271CS..Hα-helixtrans-46.3-37.7-177.6-29.231.7000113.1L387 V509 V520 L521 E522 L530L387-P518 HydrophobicContact CD2-CB 4.46Å; V509-P518 HydrophobicContact CG2-CG 4.15Å; P518-V520 VanDerWaalsContact C-N 3.31Å; P518-V520 PolarHBondContact O-N 3.3Å; P518-L521 PolarHBondContact O-N 3.08Å; P518-E522 WeakPolarHBondContact O-CA 3.12Å; P518-E522 VanDerWaalsContact O-CB 3.29Å; P518-E522 WeakPolarHBondContact O-CB 3.48Å; P518-E522 PolarHBondContact O-N 3.47Å; P518-L530 HydrophobicContact CG-CD1 4.35Å
519K65.7Low67.7Low175 Ų17549.8 Ų49.876%0.76126%0.263SS*.Hα-helixtrans-58.1-33.5178.5-64.2-174.3177.6-179.30114.7G517G517-K519 PolarHBondContact O-N 3.04Å
520V68.8Low68.6Low42 Ų4250 Ų5026%0.25526%0.263SS..Hα-helixtrans-69-41.8-179.61730000110.7V482 G517 P518V482-V520 HydrophobicContact CG1-CG1 3.72Å; G517-V520 WeakPolarHBondContact O-CB 3.41Å; G517-V520 PolarHBondContact O-N 3.19Å; P518-V520 VanDerWaalsContact C-N 3.31Å; P518-V520 PolarHBondContact O-N 3.3Å
521L80.7Confident70.1Confident0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-92.3-16.2-175.8-67.4-174.9000113.1L387 I467 V485 R486 A489 P518 H523 C524 I525L387-L521 HydrophobicContact CD1-CD1 3.86Å; L387-L521 HydrophobicContact CD2-CB 3.85Å; L387-L521 HydrophobicContact CD2-CD1 4.08Å; I467-L521 HydrophobicContact CG2-CD1 4.22Å; V485-L521 HydrophobicContact CG1-CD1 3.7Å; V485-L521 HydrophobicContact CG1-CD2 3.83Å; V485-L521 HydrophobicContact CG1-CG 4.01Å; R486-L521 HydrophobicContact CB-CD2 4.37Å; A489-L521 HydrophobicContact CB-CD1 4.19Å; A489-L521 HydrophobicContact CB-CD2 3.62Å; A489-L521 HydrophobicContact CB-CG 4.46Å; P518-L521 PolarHBondContact O-N 3.08Å; L521-H523 PolarHBondContact O-N 2.84Å; L521-C524 PolarHBondContact O-N 2.85Å; L521-I525 VanDerWaalsContact O-CG1 3.25Å; L521-I525 WeakPolarHBondContact O-CG1 3.28Å; L521-I525 PolarHBondContact O-N 3.49Å
522E73.7Confident71.4Confident56 Ų5640.2 Ų40.226%0.26222%0.22SC..THydrogen-bonded Turntrans-49.3-38.4-171.3-172168.1179.900112.3P518 K546P518-E522 WeakPolarHBondContact O-CA 3.12Å; P518-E522 VanDerWaalsContact O-CB 3.29Å; P518-E522 WeakPolarHBondContact O-CB 3.48Å; P518-E522 PolarHBondContact O-N 3.47Å; E522-K546 HydrophobicContact CG-CB 4.1Å; E522-K546 HydrophobicContact CG-CD 3.77Å; E522-K546 WeakPolarHBondContact O-CD 3.17Å; E522-K546 WeakPolarHBondContact O-CE 3.34Å; E522-K546 PolarHBondContact O-NZ 3.19Å
523H77.4Confident72.5Confident155 Ų15535.6 Ų35.672%0.71820%0.198SC*.THydrogen-bonded Turntrans-74.5-28.2179.7-66.5-74000114.6L521L521-H523 PolarHBondContact O-N 2.84Å
524C81.7Confident73.3Confident33 Ų3339.6 Ų39.622%0.22321%0.211CC..THydrogen-bonded Turntrans-83.5-27.9-174.5-62.10000113.1L521L521-C524 PolarHBondContact O-N 2.85Å
525I88.4Confident74.1Confident0 Ų041.4 Ų41.40%023%0.229CC..SBendtrans-96.7165.6-175.850.7139.6000113.6A385 L387 M505 L521 C527 S528 K546A385-I525 HydrophobicContact CB-CG2 4.34Å; L387-I525 HydrophobicContact CB-CD1 3.43Å; L387-I525 VanDerWaalsContact CB-CD1 3.43Å; L387-I525 HydrophobicContact CB-CG1 4.4Å; L387-I525 HydrophobicContact CD2-CD1 4.16Å; L387-I525 HydrophobicContact CG-CD1 4.47Å; M505-I525 HydrophobicContact CE-CG2 3.53Å; L521-I525 VanDerWaalsContact O-CG1 3.25Å; L521-I525 WeakPolarHBondContact O-CG1 3.28Å; L521-I525 PolarHBondContact O-N 3.49Å; I525-C527 VanDerWaalsContact CD1-C 3.46Å; I525-C527 WeakPolarHBondContact CD1-O 3.48Å; I525-S528 VanDerWaalsContact CD1-CB 3.49Å; I525-K546 PolarHBondContact O-NZ 2.88Å
526D91.6Very high74.6Confident4 Ų448 Ų482%0.02126%0.264CS..SBendtrans-90.5-34.4180-57.8-59.1000113A385 K497 R548 F549A385-D526 PolarHBondContact N-OD2 2.87Å; A385-D526 PolarHBondContact O-N 3.08Å; K497-D526 IonicContact NZ-OD1 3.93Å; K497-D526 PolarHBondContact NZ-OD1 3.37Å; K497-D526 VanDerWaalsContact NZ-OD1 3.14Å; K497-D526 IonicContact NZ-OD2 2.64Å; D526-R548 HydrophobicContact CB-CB 4.49Å; D526-R548 WeakPolarHBondContact O-CB 3.48Å; D526-R548 WeakPolarHBondContact O-CG 3.13Å; D526-R548 PolarHBondContact O-N 3.34Å; D526-R548 IonicContact OD1-CZ 3.1Å; D526-R548 IonicContact OD1-NH1 3.26Å; D526-R548 PolarHBondContact OD1-NH1 2.78Å; D526-F549 HydrophobicContact CB-CD2 4.42Å; D526-F549 HydrophobicContact CB-CE2 3.42Å; D526-F549 VanDerWaalsContact CB-CE2 3.42Å; D526-F549 HydrophobicContact CB-CZ 3.84Å
527C92.3Very high75.3Confident2 Ų250.2 Ų50.21%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-138.3132.3176.9-176.20000111.3A385 I386 L387 I525 K546A385-C527 PolarHBondContact O-N 2.76Å; A385-C527 VanDerWaalsContact O-N 3.14Å; I386-C527 CarbonylContact C-O 3.44Å; I386-C527 VanDerWaalsContact CA-O 3.3Å; I386-C527 WeakPolarHBondContact CA-O 3.2Å; I386-C527 HydrophobicContact CG1-CB 4.18Å; I386-C527 HydrophobicContact CG2-CB 4.4Å; L387-C527 PolarHBondContact N-O 3.24Å; I525-C527 VanDerWaalsContact CD1-C 3.46Å; I525-C527 WeakPolarHBondContact CD1-O 3.48Å; C527-K546 CarbonylContact C-O 3.41Å; C527-K546 VanDerWaalsContact CA-O 3.29Å; C527-K546 WeakPolarHBondContact CA-O 3.3Å; C527-K546 PolarHBondContact SG-O 2.82Å
528S91.4Very high76.4Confident1 Ų159.7 Ų59.71%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-119.7125.7175.7-169.30000109.7I525 H545 K546I525-S528 VanDerWaalsContact CD1-CB 3.49Å; S528-H545 PolarHBondContact O-N 2.95Å; S528-K546 PolarHBondContact N-O 2.96Å; S528-K546 PolarHBondContact O-N 2.74Å
529V90.6Very high77.8Confident1 Ų161.8 Ų61.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-128.1139.2-178.1-1720000109.2V375 L376 L387 I388 G389 L542 R543V375-V529 HydrophobicContact CG1-CB 4.36Å; V375-V529 HydrophobicContact CG1-CG1 3.48Å; V375-V529 VanDerWaalsContact CG1-CG1 3.48Å; V375-V529 HydrophobicContact CG1-CG2 3.89Å; L376-V529 HydrophobicContact CD2-CG2 4.16Å; L387-V529 PolarHBondContact O-N 3.13Å; I388-V529 CarbonylContact C-O 3.58Å; I388-V529 WeakPolarHBondContact CA-O 3.36Å; G389-V529 PolarHBondContact N-O 3.3Å; V529-L542 HydrophobicContact CG1-CD1 3.34Å; V529-L542 HydrophobicContact CG1-CD2 4.1Å; V529-L542 HydrophobicContact CG1-CG 3.41Å; V529-L542 VanDerWaalsContact CG1-CG 3.41Å; V529-R543 CarbonylContact C-O 3.51Å; V529-R543 VanDerWaalsContact CA-O 3.26Å; V529-R543 WeakPolarHBondContact CA-O 2.94Å; V529-R543 WeakPolarHBondContact CG1-O 3.08Å
530L88.4Confident78.8Confident40 Ų4054.8 Ų54.821%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-111.6124.6175.5-173.572.8000109.5V509 P518 L542 R543 H545V509-L530 HydrophobicContact CG2-CD1 4.04Å; P518-L530 HydrophobicContact CG-CD1 4.35Å; L530-L542 CarbonylContact O-C 3.46Å; L530-L542 WeakPolarHBondContact O-CA 3.17Å; L530-R543 PolarHBondContact N-O 2.75Å; L530-R543 PolarHBondContact O-N 3.48Å; L530-H545 WeakPolarHBondContact CB-NE2 3.25Å
531L88.8Confident79.6Confident1 Ų154.6 Ų54.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-95.7109168.3-175.866.2000108.6I388 G389 G390 A394 G395 K396 R540 T541 L542I388-L531 HydrophobicContact CG2-CB 4.44Å; G389-L531 PolarHBondContact O-N 2.97Å; G390-L531 WeakPolarHBondContact CA-O 3.29Å; A394-L531 HydrophobicContact CB-CD2 4.38Å; A394-L531 HydrophobicContact CB-CG 4.27Å; A394-L531 WeakPolarHBondContact CB-O 3.25Å; A394-L531 WeakPolarHBondContact O-CD2 3.09Å; G395-L531 VanDerWaalsContact C-CD2 3.49Å; K396-L531 HydrophobicContact CG-CB 4.35Å; K396-L531 HydrophobicContact CG-CD2 4.12Å; L531-R540 HydrophobicContact CD1-CB 3.96Å; L531-T541 CarbonylContact C-O 3.52Å; L531-T541 WeakPolarHBondContact CA-O 3.31Å; L531-L542 HydrophobicContact CB-CD1 3.8Å; L531-L542 HydrophobicContact CD1-CB 4.06Å; L531-L542 HydrophobicContact CD1-CD1 3.89Å; L531-L542 HydrophobicContact CG-CD1 4.4Å
532D80.7Confident80Confident67 Ų6754.6 Ų54.636%0.35829%0.289SS..EExtended strand (participates in β ladder)trans-106.2148.1179.8-152.3-7.4000111.5R540 T541D532-R540 CarbonylContact O-C 3.51Å; D532-R540 VanDerWaalsContact O-CA 3.3Å; D532-R540 WeakPolarHBondContact O-CA 3.41Å; D532-T541 PolarHBondContact N-O 2.64Å; D532-T541 PolarHBondContact O-N 3.35Å
533G71.3Confident80.6Confident15 Ų1554.2 Ų54.216%0.15529%0.285CS..  trans-168104.4-178.100000109.7
534D65Low81Confident125 Ų12546.9 Ų46.967%0.66825%0.251SS*.  trans-59.1145.4166.7-86.9-34.9000110D536 S537D534-D536 PolarHBondContact O-N 2.86Å; D534-D536 VanDerWaalsContact O-N 3.09Å; D534-S537 PolarHBondContact O-N 2.83Å
535A55.9Low81Confident98 Ų9848.9 Ų48.981%0.8126%0.257SS*.THydrogen-bonded Turntrans-54.6-33.7-173.500000113
536D55.2Low81Confident165 Ų16550.6 Ų50.688%0.88227%0.265SS*.THydrogen-bonded Turntrans-95.7-9.1-176.5-69.1-27.1000114.2D534D534-D536 PolarHBondContact O-N 2.86Å; D534-D536 VanDerWaalsContact O-N 3.09Å
537S65.6Low80.9Confident48 Ų4851 Ų5134%0.33627%0.267SS..  trans-78.6135.5178.9-1750000110D534 F539 R540D534-S537 PolarHBondContact O-N 2.83Å; S537-F539 PolarHBondContact O-N 3.08Å; S537-F539 PolarHBondContact OG-N 2.83Å; S537-F539 PolarHBondContact OG-O 2.86Å; S537-R540 PolarHBondContact O-NH1 3.28Å
538R78.2Confident80.7Confident203 Ų20357.3 Ų57.377%0.76629%0.291SS*.SBendtrans-73-15.1166.1-66.3-176.3-176.1-1781.5112M560R538-M560 PolarHBondContact O-N 3.05Å
539F83.3Confident80.5Confident66 Ų6659.6 Ų59.629%0.28930%0.301SS..EExtended strand (participates in β ladder)trans-101.5152.9-175.6-56-71.3000111.3S537 F558 A559 V568 I574S537-F539 PolarHBondContact O-N 3.08Å; S537-F539 PolarHBondContact OG-N 2.83Å; S537-F539 PolarHBondContact OG-O 2.86Å; F539-F558 CarbonylContact C-O 3.53Å; F539-F558 VanDerWaalsContact CA-O 3.24Å; F539-F558 WeakPolarHBondContact CA-O 3.25Å; F539-A559 HydrophobicContact CD1-CB 3.98Å; F539-A559 HydrophobicContact CE1-CB 4.06Å; F539-V568 HydrophobicContact CD1-CG2 4.06Å; F539-V568 HydrophobicContact CE1-CG2 4.15Å; F539-I574 HydrophobicContact CB-CD1 4.49Å; F539-I574 HydrophobicContact CD1-CD1 3.43Å; F539-I574 VanDerWaalsContact CD1-CD1 3.43Å; F539-I574 HydrophobicContact CD1-CG1 4.12Å; F539-I574 HydrophobicContact CD2-CD1 4.17Å; F539-I574 HydrophobicContact CD2-CG1 4.27Å; F539-I574 HydrophobicContact CD2-CG2 3.51Å; F539-I574 HydrophobicContact CE1-CD1 3.54Å; F539-I574 HydrophobicContact CE1-CG1 3.78Å; F539-I574 HydrophobicContact CE2-CB 4.36Å; F539-I574 HydrophobicContact CE2-CD1 4.26Å; F539-I574 HydrophobicContact CE2-CG1 3.94Å; F539-I574 HydrophobicContact CE2-CG2 3.6Å; F539-I574 HydrophobicContact CG-CD1 3.76Å; F539-I574 HydrophobicContact CG-CG1 4.35Å; F539-I574 HydrophobicContact CG-CG2 4.11Å; F539-I574 HydrophobicContact CZ-CD1 3.97Å; F539-I574 HydrophobicContact CZ-CG1 3.69Å; F539-I574 HydrophobicContact CZ-CG2 4.25Å
540R85.9Confident80.2Confident28 Ų2861 Ų6111%0.10632%0.315CS..EExtended strand (participates in β ladder)trans-128.4134.7175.6-59.5-65.6-179.9-894.2107.8A394 L531 D532 S537 F558 L565A394-R540 VanDerWaalsContact O-CD 3.24Å; A394-R540 WeakPolarHBondContact O-CD 3.34Å; A394-R540 PolarHBondContact O-NE 2.7Å; L531-R540 HydrophobicContact CD1-CB 3.96Å; D532-R540 CarbonylContact O-C 3.51Å; D532-R540 VanDerWaalsContact O-CA 3.3Å; D532-R540 WeakPolarHBondContact O-CA 3.41Å; S537-R540 PolarHBondContact O-NH1 3.28Å; R540-F558 HydrophobicContact CB-CB 4.4Å; R540-F558 PolarHBondContact N-O 3.03Å; R540-F558 PolarHBondContact O-N 3.06Å; R540-L565 HydrophobicContact CB-CD2 4.25Å; R540-L565 HydrophobicContact CG-CD2 3.91Å
541T85Confident80Confident39 Ų3961.1 Ų61.124%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-109.1129.9178.957.10000109.5L531 D532 L555 G556L531-T541 CarbonylContact C-O 3.52Å; L531-T541 WeakPolarHBondContact CA-O 3.31Å; D532-T541 PolarHBondContact N-O 2.64Å; D532-T541 PolarHBondContact O-N 3.35Å; T541-L555 HydrophobicContact CG2-CD1 4.1Å; T541-G556 WeakPolarHBondContact CA-O 3.45Å
542L89.1Confident79.7Confident0 Ų064.4 Ų64.40%034%0.342CS..EExtended strand (participates in β ladder)trans-109.1119.6176.9-172.775.1000107.7F372 V375 L399 V529 L530 L531 G556 F558F372-L542 HydrophobicContact CB-CD2 4.35Å; F372-L542 HydrophobicContact CD2-CD2 3.42Å; F372-L542 VanDerWaalsContact CD2-CD2 3.42Å; F372-L542 HydrophobicContact CE2-CD2 3.97Å; F372-L542 HydrophobicContact CG-CD2 4.06Å; V375-L542 HydrophobicContact CB-CD2 4.22Å; V375-L542 HydrophobicContact CG1-CD2 4.27Å; V375-L542 HydrophobicContact CG1-CG 4.23Å; V375-L542 HydrophobicContact CG2-CB 4.46Å; V375-L542 HydrophobicContact CG2-CD2 4.22Å; V375-L542 HydrophobicContact CG2-CG 4.34Å; V375-L542 VanDerWaalsContact CG2-O 3.32Å; V375-L542 WeakPolarHBondContact CG2-O 2.92Å; L399-L542 HydrophobicContact CD2-CD1 4.31Å; L399-L542 HydrophobicContact CD2-CD2 4.2Å; V529-L542 HydrophobicContact CG1-CD1 3.34Å; V529-L542 HydrophobicContact CG1-CD2 4.1Å; V529-L542 HydrophobicContact CG1-CG 3.41Å; V529-L542 VanDerWaalsContact CG1-CG 3.41Å; L530-L542 CarbonylContact O-C 3.46Å; L530-L542 WeakPolarHBondContact O-CA 3.17Å; L531-L542 HydrophobicContact CB-CD1 3.8Å; L531-L542 HydrophobicContact CD1-CB 4.06Å; L531-L542 HydrophobicContact CD1-CD1 3.89Å; L531-L542 HydrophobicContact CG-CD1 4.4Å; L542-G556 PolarHBondContact N-O 3.43Å; L542-G556 PolarHBondContact O-N 3.32Å; L542-F558 HydrophobicContact CB-CD2 4.31Å; L542-F558 HydrophobicContact CB-CE2 3.89Å; L542-F558 HydrophobicContact CD2-CE2 4.03Å
543R86.2Confident79.5Confident48 Ų4864.8 Ų64.818%0.18134%0.344CS..EExtended strand (participates in β ladder)trans-129.4131.4-171.2-176.3178.6-63.9-84.912.1112.9V529 L530 E554 E593V529-R543 CarbonylContact C-O 3.51Å; V529-R543 VanDerWaalsContact CA-O 3.26Å; V529-R543 WeakPolarHBondContact CA-O 2.94Å; V529-R543 WeakPolarHBondContact CG1-O 3.08Å; L530-R543 PolarHBondContact N-O 2.75Å; L530-R543 PolarHBondContact O-N 3.48Å; R543-E554 VanDerWaalsContact CA-O 3.3Å; R543-E554 WeakPolarHBondContact CA-O 3.43Å; R543-E593 IonicContact CZ-OE1 3.45Å; R543-E593 IonicContact CZ-OE2 3.59Å; R543-E593 IonicContact NH1-OE1 3.64Å; R543-E593 PolarHBondContact NH1-OE1 3.35Å; R543-E593 IonicContact NH1-OE2 3.22Å; R543-E593 PolarHBondContact NH1-OE2 3.14Å; R543-E593 VanDerWaalsContact NH2-CD 3.33Å; R543-E593 IonicContact NH2-OE1 3.6Å; R543-E593 PolarHBondContact NH2-OE1 2.91Å; R543-E593 IonicContact NH2-OE2 3.02Å
544S87.4Confident80.1Confident0 Ų064.4 Ų64.40%034%0.338CS..EExtended strand (participates in β ladder)trans-78.5128.9172.364.60000111.1A551 V552 N553 E554S544-A551 PolarHBondContact OG-O 3.42Å; S544-A551 VanDerWaalsContact OG-O 3.06Å; S544-V552 WeakPolarHBondContact OG-CA 3.36Å; S544-N553 VanDerWaalsContact O-CA 3.31Å; S544-N553 WeakPolarHBondContact O-CA 3.44Å; S544-N553 PolarHBondContact O-N 3.48Å; S544-N553 PolarHBondContact OG-N 2.95Å; S544-N553 VanDerWaalsContact OG-N 3.15Å; S544-E554 PolarHBondContact N-O 3.33Å; S544-E554 VanDerWaalsContact N-O 3.13Å; S544-E554 PolarHBondContact OG-N 3.48Å; S544-E554 VanDerWaalsContact OG-N 3.08Å
545H81.6Confident81Confident76 Ų7658.5 Ų58.535%0.35231%0.307SS..EExtended strand (participates in β ladder)trans-102.7-35172.1-72.5-73.3000111.7S528 L530S528-H545 PolarHBondContact O-N 2.95Å; L530-H545 WeakPolarHBondContact CB-NE2 3.25Å
546K87.1Confident82.6Confident35 Ų3553.9 Ų53.915%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-135.2131.3173-177.6-173.8-178.2-165.60108.1E522 I525 C527 S528E522-K546 HydrophobicContact CG-CB 4.1Å; E522-K546 HydrophobicContact CG-CD 3.77Å; E522-K546 WeakPolarHBondContact O-CD 3.17Å; E522-K546 WeakPolarHBondContact O-CE 3.34Å; E522-K546 PolarHBondContact O-NZ 3.19Å; I525-K546 PolarHBondContact O-NZ 2.88Å; C527-K546 CarbonylContact C-O 3.41Å; C527-K546 VanDerWaalsContact CA-O 3.29Å; C527-K546 WeakPolarHBondContact CA-O 3.3Å; C527-K546 PolarHBondContact SG-O 2.82Å; S528-K546 PolarHBondContact N-O 2.96Å; S528-K546 PolarHBondContact O-N 2.74Å
547N89.9Confident84.2Confident14 Ų1446 Ų468%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-146.1111.3172.5-169-12.4000109.6V375 L376 F549 G550V375-N547 PolarHBondContact O-ND2 3.12Å; L376-N547 VanDerWaalsContact C-ND2 3.25Å; L376-N547 PolarHBondContact O-ND2 3.04Å; N547-F549 PolarHBondContact O-N 2.9Å; N547-F549 WeakPolarHBondContact OD1-CA 3.37Å; N547-F549 PolarHBondContact OD1-N 3.36Å; N547-G550 VanDerWaalsContact O-O 3.06Å; N547-G550 PolarHBondContact OD1-N 3Å
548R87.9Confident85.4Confident134 Ų13443.8 Ų43.851%0.50621%0.21SC..THydrogen-bonded Turntrans-72.3-17.4175.2-76.5-173.8174.1152.9-0.6113.3D526D526-R548 HydrophobicContact CB-CB 4.49Å; D526-R548 WeakPolarHBondContact O-CB 3.48Å; D526-R548 WeakPolarHBondContact O-CG 3.13Å; D526-R548 PolarHBondContact O-N 3.34Å; D526-R548 IonicContact OD1-CZ 3.1Å; D526-R548 IonicContact OD1-NH1 3.26Å; D526-R548 PolarHBondContact OD1-NH1 2.78Å
549F86.9Confident85.9Confident49 Ų4935 Ų3522%0.21518%0.182CC..THydrogen-bonded Turntrans-116.714.4-173.1-46.5-69000112.6L362 R364 V381 D526 N547L362-F549 HydrophobicContact CD1-CD1 3.95Å; L362-F549 HydrophobicContact CD1-CE1 4.2Å; R364-F549 PolarHBondContact NH1-O 2.82Å; R364-F549 PolarHBondContact NH2-O 2.95Å; V381-F549 HydrophobicContact CB-CD2 4.25Å; V381-F549 HydrophobicContact CB-CE2 4.39Å; V381-F549 HydrophobicContact CB-CG 4.33Å; V381-F549 HydrophobicContact CG1-CD1 4.34Å; V381-F549 HydrophobicContact CG1-CE1 4.22Å; V381-F549 HydrophobicContact CG1-CZ 4.36Å; V381-F549 HydrophobicContact CG2-CB 3.86Å; V381-F549 HydrophobicContact CG2-CD1 4.15Å; V381-F549 HydrophobicContact CG2-CD2 4.05Å; V381-F549 HydrophobicContact CG2-CG 3.76Å; D526-F549 HydrophobicContact CB-CD2 4.42Å; D526-F549 HydrophobicContact CB-CE2 3.42Å; D526-F549 VanDerWaalsContact CB-CE2 3.42Å; D526-F549 HydrophobicContact CB-CZ 3.84Å; N547-F549 PolarHBondContact O-N 2.9Å; N547-F549 WeakPolarHBondContact OD1-CA 3.37Å; N547-F549 PolarHBondContact OD1-N 3.36Å
550G85.6Confident86.1Confident31 Ų3134.7 Ų34.732%0.3218%0.182SC..SBendtrans-174-177.6-175.800000112.2N547N547-G550 VanDerWaalsContact O-O 3.06Å; N547-G550 PolarHBondContact OD1-N 3Å
551A82.9Confident86.3Confident41 Ų4135.9 Ų35.934%0.33919%0.192SC..  trans-68.914717600000111.7S544 E554 T595S544-A551 PolarHBondContact OG-O 3.42Å; S544-A551 VanDerWaalsContact OG-O 3.06Å; A551-E554 HydrophobicContact CB-CG 3.99Å; A551-T595 HydrophobicContact CB-CG2 4.04Å
552V82.3Confident86.3Confident71 Ų7142.9 Ų42.943%0.4322%0.222SC..SBendtrans-83.7158.9166.7-65.50000109.9S544 E554S544-V552 WeakPolarHBondContact OG-CA 3.36Å; V552-E554 PolarHBondContact O-N 3.45Å
553N76.4Confident86.2Confident75 Ų7548.3 Ų48.340%0.40125%0.247SC..SBendtrans63.916.2-177.1-55.2-37.4000115.1S544 E593 G594S544-N553 VanDerWaalsContact O-CA 3.31Å; S544-N553 WeakPolarHBondContact O-CA 3.44Å; S544-N553 PolarHBondContact O-N 3.48Å; S544-N553 PolarHBondContact OG-N 2.95Å; S544-N553 VanDerWaalsContact OG-N 3.15Å; N553-E593 CarbonylContact O-C 3.55Å; N553-G594 VanDerWaalsContact O-CA 3.31Å; N553-G594 WeakPolarHBondContact O-CA 3.43Å; N553-G594 PolarHBondContact O-N 3.26Å; N553-G594 VanDerWaalsContact O-N 3.14Å
554E85.3Confident86.4Confident6 Ų646.1 Ų46.13%0.02824%0.24CC..  trans-62141169.1-75.6-59.4134.600110.6R374 V375 R543 S544 A551 V552 T595R374-E554 WeakPolarHBondContact CG-OE2 3.35Å; V375-E554 HydrophobicContact CG2-CB 4.45Å; R543-E554 VanDerWaalsContact CA-O 3.3Å; R543-E554 WeakPolarHBondContact CA-O 3.43Å; S544-E554 PolarHBondContact N-O 3.33Å; S544-E554 VanDerWaalsContact N-O 3.13Å; S544-E554 PolarHBondContact OG-N 3.48Å; S544-E554 VanDerWaalsContact OG-N 3.08Å; A551-E554 HydrophobicContact CB-CG 3.99Å; V552-E554 PolarHBondContact O-N 3.45Å; E554-T595 WeakPolarHBondContact OE1-CA 3.47Å; E554-T595 WeakPolarHBondContact OE1-CB 3.29Å; E554-T595 WeakPolarHBondContact OE1-CG2 3.2Å; E554-T595 PolarHBondContact OE1-N 3.44Å; E554-T595 PolarHBondContact OE1-OG1 3.02Å; E554-T595 PolarHBondContact OE2-OG1 2.96Å
555L83.9Confident86.7Confident2 Ų246.2 Ų46.21%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-119.7120.9-177.2-175.471.8000111.6T541 V557 E593 R596 L598T541-L555 HydrophobicContact CG2-CD1 4.1Å; L555-V557 HydrophobicContact CD2-CG2 3.95Å; L555-V557 HydrophobicContact CG-CG2 4Å; L555-E593 HydrophobicContact CB-CB 4.43Å; L555-R596 PolarHBondContact O-NH1 3.3Å; L555-L598 HydrophobicContact CD2-CD1 3.57Å
556G88.4Confident87.2Confident0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-103.3137.2165.400000110.8E371 T541 L542E371-G556 VanDerWaalsContact OE2-CA 3.25Å; E371-G556 WeakPolarHBondContact OE2-CA 3.47Å; T541-G556 WeakPolarHBondContact CA-O 3.45Å; L542-G556 PolarHBondContact N-O 3.43Å; L542-G556 PolarHBondContact O-N 3.32Å
557V88.3Confident87.5Confident1 Ų150.5 Ų50.51%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-120.3128-179.9-170.90000111.4E371 L555 V568 P571 I574E371-V557 PolarHBondContact OE2-N 3.4Å; L555-V557 HydrophobicContact CD2-CG2 3.95Å; L555-V557 HydrophobicContact CG-CG2 4Å; V557-V568 HydrophobicContact CB-CB 4.36Å; V557-V568 HydrophobicContact CG1-CB 4.21Å; V557-V568 HydrophobicContact CG1-CG2 4.12Å; V557-V568 PolarHBondContact O-N 3.14Å; V557-P571 HydrophobicContact CB-CB 4.3Å; V557-P571 HydrophobicContact CB-CG 4.32Å; V557-P571 HydrophobicContact CG2-CB 3.92Å; V557-P571 HydrophobicContact CG2-CG 4.19Å; V557-I574 HydrophobicContact CG1-CD1 3.59Å
558F90.8Very high87.3Confident0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-123.2151.8179.9-60.8-94.6000110.6F369 E371 F372 L399 F539 R540 L542 L565 R566 E567F369-F558 HydrophobicContact CB-CE1 4.31Å; F369-F558 HydrophobicContact CD1-CE1 4.23Å; F369-F558 HydrophobicContact CG-CE1 4.29Å; E371-F558 HydrophobicContact CB-CE1 4.23Å; E371-F558 HydrophobicContact CB-CE2 3.98Å; E371-F558 HydrophobicContact CB-CZ 3.67Å; F372-F558 HydrophobicContact CB-CZ 4.15Å; L399-F558 HydrophobicContact CD1-CE1 4.03Å; L399-F558 HydrophobicContact CD1-CZ 4.15Å; F539-F558 CarbonylContact C-O 3.53Å; F539-F558 VanDerWaalsContact CA-O 3.24Å; F539-F558 WeakPolarHBondContact CA-O 3.25Å; R540-F558 HydrophobicContact CB-CB 4.4Å; R540-F558 PolarHBondContact N-O 3.03Å; R540-F558 PolarHBondContact O-N 3.06Å; L542-F558 HydrophobicContact CB-CD2 4.31Å; L542-F558 HydrophobicContact CB-CE2 3.89Å; L542-F558 HydrophobicContact CD2-CE2 4.03Å; F558-L565 HydrophobicContact CB-CB 4.43Å; F558-L565 HydrophobicContact CB-CD2 3.8Å; F558-L565 HydrophobicContact CD1-CB 4.29Å; F558-R566 CarbonylContact C-O 3.53Å; F558-R566 WeakPolarHBondContact CA-O 3.38Å; F558-E567 HydrophobicContact CD1-CG 4.17Å; F558-E567 HydrophobicContact CE1-CG 3.81Å
559A89Confident86.8Confident20 Ų2050.3 Ų50.317%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-106.3131.416700000109.1F539 L565 R566 V568F539-A559 HydrophobicContact CD1-CB 3.98Å; F539-A559 HydrophobicContact CE1-CB 4.06Å; A559-L565 WeakPolarHBondContact O-CA 3.39Å; A559-R566 PolarHBondContact N-O 3.31Å; A559-R566 PolarHBondContact O-N 3.41Å; A559-V568 HydrophobicContact CB-CG2 4.12Å
560M88.5Confident86.5Confident59 Ų5951.1 Ų51.129%0.29128%0.281SS..EExtended strand (participates in β ladder)trans-81.9118.4172.4-173.265.378.900108.9R538 L565R538-M560 PolarHBondContact O-N 3.05Å; M560-L565 HydrophobicContact CB-CD2 4.36Å; M560-L565 HydrophobicContact CE-CD1 4.44Å; M560-L565 HydrophobicContact CE-CD2 3.7Å; M560-L565 HydrophobicContact CE-CG 3.94Å; M560-L565 HydrophobicContact SD-CD2 4.02Å; M560-L565 HydrophobicContact SD-CG 4.1Å
561T89.2Confident86Confident52 Ų5250 Ų5032%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-123172.6179.370.90000110.5Q563 G564 R566T561-Q563 PolarHBondContact O-N 3.13Å; T561-Q563 PolarHBondContact OG1-N 2.95Å; T561-G564 PolarHBondContact N-O 3.26Å; T561-G564 PolarHBondContact O-N 2.98Å; T561-G564 PolarHBondContact OG1-O 3.49Å; T561-R566 HydrophobicContact CG2-CG 4.4Å
562E85.5Confident85.6Confident186 Ų18648.3 Ų48.387%0.86925%0.254SS*.THydrogen-bonded Turntrans-58.8-28.8174-63.4-176169.500112.7G564E562-G564 VanDerWaalsContact C-N 3.27Å; E562-G564 PolarHBondContact O-N 3.45Å
563Q87Confident85.1Confident115 Ų11547.7 Ų47.754%0.53726%0.256SS..THydrogen-bonded Turntrans-89.815175.9-61.5-175.5-2.900113.1T561T561-Q563 PolarHBondContact O-N 3.13Å; T561-Q563 PolarHBondContact OG1-N 2.95Å
564G91Very high84.8Confident2 Ų246 Ų462%0.02125%0.247CC..EExtended strand (participates in β ladder)trans93.6-156.7-179.600000113.1L432 T561 E562L432-G564 VanDerWaalsContact CD2-N 3.31Å; T561-G564 PolarHBondContact N-O 3.26Å; T561-G564 PolarHBondContact O-N 2.98Å; T561-G564 PolarHBondContact OG1-O 3.49Å; E562-G564 VanDerWaalsContact C-N 3.27Å; E562-G564 PolarHBondContact O-N 3.45Å
565L93.1Very high84Confident1 Ų146.2 Ų46.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-79.3130.9-178.5-72.1164.8000110.5G395 T398 L399 Q402 R540 F558 A559 M560G395-L565 WeakPolarHBondContact O-CD1 3.19Å; T398-L565 HydrophobicContact CG2-CD1 4.5Å; T398-L565 HydrophobicContact CG2-CG 4.44Å; L399-L565 HydrophobicContact CB-CD1 3.68Å; L399-L565 HydrophobicContact CD1-CD1 4.42Å; Q402-L565 PolarHBondContact NE2-O 3.16Å; R540-L565 HydrophobicContact CB-CD2 4.25Å; R540-L565 HydrophobicContact CG-CD2 3.91Å; F558-L565 HydrophobicContact CB-CB 4.43Å; F558-L565 HydrophobicContact CB-CD2 3.8Å; F558-L565 HydrophobicContact CD1-CB 4.29Å; A559-L565 WeakPolarHBondContact O-CA 3.39Å; M560-L565 HydrophobicContact CB-CD2 4.36Å; M560-L565 HydrophobicContact CE-CD1 4.44Å; M560-L565 HydrophobicContact CE-CD2 3.7Å; M560-L565 HydrophobicContact CE-CG 3.94Å; M560-L565 HydrophobicContact SD-CD2 4.02Å; M560-L565 HydrophobicContact SD-CG 4.1Å
566R93Very high83.5Confident136 Ų13646.9 Ų46.951%0.51325%0.251SS..EExtended strand (participates in β ladder)trans-121.5140.8173.7-70.4-172.5172.7-169.6-2.5110.3F558 A559 T561F558-R566 CarbonylContact C-O 3.53Å; F558-R566 WeakPolarHBondContact CA-O 3.38Å; A559-R566 PolarHBondContact N-O 3.31Å; A559-R566 PolarHBondContact O-N 3.41Å; T561-R566 HydrophobicContact CG2-CG 4.4Å
567E91.7Very high82.3Confident65 Ų6550.2 Ų50.230%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-69.1139.4177.9-58.5-178.981.500111.2F369 K370 E371 F558F369-E567 WeakPolarHBondContact CA-OE2 3.49Å; F369-E567 HydrophobicContact CB-CG 4.27Å; F369-E567 HydrophobicContact CD1-CG 3.61Å; F369-E567 HydrophobicContact CE1-CG 4.43Å; F369-E567 HydrophobicContact CG-CG 4.4Å; K370-E567 VanDerWaalsContact CA-OE1 3.27Å; K370-E567 WeakPolarHBondContact CA-OE1 3.47Å; K370-E567 WeakPolarHBondContact CB-OE1 3.48Å; K370-E567 VanDerWaalsContact N-CD 3.34Å; K370-E567 PolarHBondContact N-OE1 2.94Å; K370-E567 PolarHBondContact N-OE2 3.38Å; E371-E567 HydrophobicContact CB-CG 4.33Å; E371-E567 HydrophobicContact CG-CB 3.96Å; E371-E567 HydrophobicContact CG-CG 4.11Å; E371-E567 WeakPolarHBondContact CG-OE1 3.36Å; E371-E567 PolarHBondContact N-OE1 3.15Å; F558-E567 HydrophobicContact CD1-CG 4.17Å; F558-E567 HydrophobicContact CE1-CG 3.81Å
568V87.5Confident81Confident22 Ų2257.9 Ų57.913%0.13330%0.303CS..  trans-92.7110.1170.9-176.10000108.9F539 V557 A559 N570 I574F539-V568 HydrophobicContact CD1-CG2 4.06Å; F539-V568 HydrophobicContact CE1-CG2 4.15Å; V557-V568 HydrophobicContact CB-CB 4.36Å; V557-V568 HydrophobicContact CG1-CB 4.21Å; V557-V568 HydrophobicContact CG1-CG2 4.12Å; V557-V568 PolarHBondContact O-N 3.14Å; A559-V568 HydrophobicContact CB-CG2 4.12Å; V568-N570 VanDerWaalsContact C-N 3.27Å; V568-N570 PolarHBondContact O-N 2.78Å; V568-I574 HydrophobicContact CB-CD1 4.2Å; V568-I574 HydrophobicContact CG1-CD1 3.75Å; V568-I574 HydrophobicContact CG1-CG1 4.34Å; V568-I574 HydrophobicContact CG2-CD1 4.04Å
569S77Confident79.6Confident123 Ų12359.7 Ų59.786%0.8632%0.322SS*.SBendtrans-66.2-27.6-179.354.20000113.6
570N79.3Confident78.1Confident66 Ų6667 Ų6735%0.35336%0.358SS..  trans-129.184.4177.8-175.1-1.7000111V568 S572 A573 H710V568-N570 VanDerWaalsContact C-N 3.27Å; V568-N570 PolarHBondContact O-N 2.78Å; N570-S572 VanDerWaalsContact C-N 3.28Å; N570-S572 PolarHBondContact O-N 2.83Å; N570-S572 PolarHBondContact OD1-N 2.7Å; N570-A573 HydrophobicContact CB-CB 4.43Å; N570-A573 WeakPolarHBondContact O-CB 3.4Å; N570-A573 PolarHBondContact O-N 2.98Å; N570-A573 PolarHBondContact OD1-N 3.12Å; N570-H710 PolarHBondContact OD1-NE2 2.78Å
571P75.2Confident77.3Confident8 Ų871.9 Ų71.95%0.05238%0.38CS..THydrogen-bonded Turntrans-60.6-35179.9-24.534.2000113.5V557 A573 I574 F575 L598V557-P571 HydrophobicContact CB-CB 4.3Å; V557-P571 HydrophobicContact CB-CG 4.32Å; V557-P571 HydrophobicContact CG2-CB 3.92Å; V557-P571 HydrophobicContact CG2-CG 4.19Å; P571-A573 PolarHBondContact O-N 2.85Å; P571-A573 VanDerWaalsContact O-N 3.16Å; P571-I574 VanDerWaalsContact O-CB 3.31Å; P571-I574 WeakPolarHBondContact O-CB 3.41Å; P571-I574 PolarHBondContact O-N 2.8Å; P571-F575 HydrophobicContact CB-CE2 4.19Å; P571-F575 WeakPolarHBondContact O-CD2 3.48Å; P571-L598 HydrophobicContact CB-CD2 4.01Å
572S74.5Confident76.8Confident4 Ų473.4 Ų73.43%0.02839%0.389CS..Hα-helixtrans-57.8-30.2179.1-57.20000112.3N570 I574 F575 L576 H710N570-S572 VanDerWaalsContact C-N 3.28Å; N570-S572 PolarHBondContact O-N 2.83Å; N570-S572 PolarHBondContact OD1-N 2.7Å; S572-I574 PolarHBondContact O-N 2.65Å; S572-F575 PolarHBondContact O-N 2.81Å; S572-L576 WeakPolarHBondContact O-CB 3.34Å; S572-L576 VanDerWaalsContact O-CG 3.24Å; S572-L576 WeakPolarHBondContact O-CG 3.18Å; S572-L576 PolarHBondContact O-N 2.79Å; S572-L576 VanDerWaalsContact O-N 3.12Å; S572-H710 VanDerWaalsContact CB-CD2 3.44Å; S572-H710 WeakPolarHBondContact CB-CD2 3.49Å; S572-H710 VanDerWaalsContact CB-NE2 3.34Å; S572-H710 WeakPolarHBondContact CB-NE2 3.38Å; S572-H710 PolarHBondContact OG-NE2 2.8Å; S572-H710 VanDerWaalsContact OG-NE2 3.16Å
573A72Confident76.8Confident59 Ų5968.2 Ų68.249%0.48837%0.37SS..Hα-helixtrans-64.8-21.617600000113.5N570 P571N570-A573 HydrophobicContact CB-CB 4.43Å; N570-A573 WeakPolarHBondContact O-CB 3.4Å; N570-A573 PolarHBondContact O-N 2.98Å; N570-A573 PolarHBondContact OD1-N 3.12Å; P571-A573 PolarHBondContact O-N 2.85Å; P571-A573 VanDerWaalsContact O-N 3.16Å
574I70.6Confident77.1Confident39 Ų3964.5 Ų64.520%0.236%0.357CS..Hα-helixtrans-78.5-37.8175.6-59.3166.7000110.7F539 V557 V568 P571 S572 L576F539-I574 HydrophobicContact CB-CD1 4.49Å; F539-I574 HydrophobicContact CD1-CD1 3.43Å; F539-I574 VanDerWaalsContact CD1-CD1 3.43Å; F539-I574 HydrophobicContact CD1-CG1 4.12Å; F539-I574 HydrophobicContact CD2-CD1 4.17Å; F539-I574 HydrophobicContact CD2-CG1 4.27Å; F539-I574 HydrophobicContact CD2-CG2 3.51Å; F539-I574 HydrophobicContact CE1-CD1 3.54Å; F539-I574 HydrophobicContact CE1-CG1 3.78Å; F539-I574 HydrophobicContact CE2-CB 4.36Å; F539-I574 HydrophobicContact CE2-CD1 4.26Å; F539-I574 HydrophobicContact CE2-CG1 3.94Å; F539-I574 HydrophobicContact CE2-CG2 3.6Å; F539-I574 HydrophobicContact CG-CD1 3.76Å; F539-I574 HydrophobicContact CG-CG1 4.35Å; F539-I574 HydrophobicContact CG-CG2 4.11Å; F539-I574 HydrophobicContact CZ-CD1 3.97Å; F539-I574 HydrophobicContact CZ-CG1 3.69Å; F539-I574 HydrophobicContact CZ-CG2 4.25Å; V557-I574 HydrophobicContact CG1-CD1 3.59Å; V568-I574 HydrophobicContact CB-CD1 4.2Å; V568-I574 HydrophobicContact CG1-CD1 3.75Å; V568-I574 HydrophobicContact CG1-CG1 4.34Å; V568-I574 HydrophobicContact CG2-CD1 4.04Å; P571-I574 VanDerWaalsContact O-CB 3.31Å; P571-I574 WeakPolarHBondContact O-CB 3.41Å; P571-I574 PolarHBondContact O-N 2.8Å; S572-I574 PolarHBondContact O-N 2.65Å; I574-L576 VanDerWaalsContact C-N 3.34Å
575F68.9Low77.2Confident10 Ų1064.5 Ų64.54%0.04436%0.357CS..Hα-helixtrans-88.8-4.6-174-56.7-62.4000113.3P571 S572 L598 L599 V600 E601 V654P571-F575 HydrophobicContact CB-CE2 4.19Å; P571-F575 WeakPolarHBondContact O-CD2 3.48Å; S572-F575 PolarHBondContact O-N 2.81Å; F575-L598 HydrophobicContact CE2-CD1 4.13Å; F575-L598 HydrophobicContact CE2-CD2 4.29Å; F575-L599 VanDerWaalsContact CB-O 3.24Å; F575-L599 WeakPolarHBondContact CB-O 3.2Å; F575-V600 HydrophobicContact CB-CG2 4.25Å; F575-E601 PolarHBondContact O-N 2.92Å; F575-V654 HydrophobicContact CD1-CG2 3.44Å; F575-V654 VanDerWaalsContact CD1-CG2 3.44Å; F575-V654 HydrophobicContact CE1-CG2 3.43Å; F575-V654 VanDerWaalsContact CE1-CG2 3.43Å; F575-V654 HydrophobicContact CG-CG2 4.22Å; F575-V654 HydrophobicContact CZ-CG2 4.18Å
576L73.7Confident77.3Confident16 Ų1665.4 Ų65.48%0.08436%0.364CS..  trans-102.5108.2172.2-67.6171.7000108.6S572 I574 R578 V588 L599 F712S572-L576 WeakPolarHBondContact O-CB 3.34Å; S572-L576 VanDerWaalsContact O-CG 3.24Å; S572-L576 WeakPolarHBondContact O-CG 3.18Å; S572-L576 PolarHBondContact O-N 2.79Å; S572-L576 VanDerWaalsContact O-N 3.12Å; I574-L576 VanDerWaalsContact C-N 3.34Å; L576-R578 VanDerWaalsContact C-N 3.29Å; L576-R578 HydrophobicContact CB-CG 4.48Å; L576-R578 PolarHBondContact O-N 3.08Å; L576-V588 HydrophobicContact CD2-CB 4.34Å; L576-V588 HydrophobicContact CD2-CG1 3.59Å; L576-V588 HydrophobicContact CD2-CG2 3.71Å; L576-L599 HydrophobicContact CD1-CB 4.16Å; L576-L599 HydrophobicContact CD2-CB 4.13Å; L576-L599 HydrophobicContact CG-CB 4.25Å; L576-F712 HydrophobicContact CD1-CE2 4.15Å; L576-F712 HydrophobicContact CD1-CZ 4.35Å; L576-F712 HydrophobicContact CD2-CZ 4.13Å
577S63.3Low77.3Confident70 Ų7059.2 Ų59.249%0.4934%0.341SS..  trans-80.182.2170.3-171.70000108.4G579 E601S577-G579 PolarHBondContact O-N 2.91Å; S577-E601 WeakPolarHBondContact CA-OE2 3.32Å; S577-E601 WeakPolarHBondContact CB-OE2 3.38Å; S577-E601 PolarHBondContact N-OE2 2.9Å
578R61Low77.5Confident163 Ų16356.8 Ų56.862%0.61533%0.331SS*.  trans-77.270.6170.7-66.9-172-179.4-179.60.9109.2L576 H710L576-R578 VanDerWaalsContact C-N 3.29Å; L576-R578 HydrophobicContact CB-CG 4.48Å; L576-R578 PolarHBondContact O-N 3.08Å; R578-H710 PolarHBondContact NH2-O 3.23Å
579G59.9Low77.8Confident37 Ų3755.8 Ų55.838%0.38132%0.324SS..  trans-60.6150.5163.800000110.1S577 E581S577-G579 PolarHBondContact O-N 2.91Å; G579-E581 PolarHBondContact O-N 2.84Å
580D59.5Low78.5Confident173 Ų17349.9 Ų49.993%0.92528%0.283SS*.SBendtrans-66-24.6177.7-68.6-38000112
581E70.6Confident79.1Confident162 Ų16247 Ų4776%0.75727%0.268SS*.SBendtrans-95.2129.1178.2-69.1-172165.100112.2G579 T583G579-E581 PolarHBondContact O-N 2.84Å; E581-T583 PolarHBondContact O-N 2.87Å
582V78.2Confident79.6Confident84 Ų8450 Ų5051%0.50928%0.278SS..  trans-74.8115.1172.4179.90000108.3P677 Q680V582-P677 HydrophobicContact CG1-CB 3.44Å; V582-P677 VanDerWaalsContact CG1-CB 3.44Å; V582-P677 HydrophobicContact CG1-CG 3.78Å; V582-Q680 HydrophobicContact CG2-CG 4.27Å
583T86.1Confident79.7Confident77 Ų7751.2 Ų51.247%0.47228%0.283SS..  trans-111.1146.2-176.349.60000112.1E581 P677E581-T583 PolarHBondContact O-N 2.87Å; T583-P677 WeakPolarHBondContact O-CB 3.44Å
584S93.2Very high79.9Confident37 Ų3749.8 Ų49.826%0.25927%0.274SS..THydrogen-bonded Turntrans-72.3152.6170.459.80000110.3D675S584-D675 WeakPolarHBondContact CB-OD1 3.48Å; S584-D675 PolarHBondContact OG-OD1 2.97Å
585G94.2Very high80Confident2 Ų251.7 Ų51.72%0.02129%0.288CS..THydrogen-bonded Turntrans86.73178.900000115.8Q603 A604 A668 S671G585-Q603 CarbonylContact O-C 3.45Å; G585-Q603 WeakPolarHBondContact O-CA 3.36Å; G585-A604 WeakPolarHBondContact CA-O 3.37Å; G585-A604 PolarHBondContact O-N 3.36Å; G585-A668 WeakPolarHBondContact CA-O 3.33Å; G585-S671 PolarHBondContact N-OG 2.81Å
586S93.6Very high80.5Confident21 Ų2152.5 Ų52.515%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-106.5136177.6-177.80000112E601S586-E601 VanDerWaalsContact OG-CG 3.25Å; S586-E601 WeakPolarHBondContact OG-CG 3.31Å; S586-E601 PolarHBondContact OG-OE1 3.16Å
587S94.3Very high81.2Confident5 Ų552.6 Ų52.64%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-137.9146.5172-176.80000110.2E601 I602S587-E601 WeakPolarHBondContact O-CA 3.45Å; S587-I602 PolarHBondContact N-O 2.65Å; S587-I602 WeakPolarHBondContact O-CG2 3.5Å; S587-I602 PolarHBondContact O-N 2.75Å
588V94.3Very high82.3Confident15 Ų1549.4 Ų49.49%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-103.8137.9173.6-179.70000109.9L576 L599 V683 V684 F712L576-V588 HydrophobicContact CD2-CB 4.34Å; L576-V588 HydrophobicContact CD2-CG1 3.59Å; L576-V588 HydrophobicContact CD2-CG2 3.71Å; V588-L599 HydrophobicContact CG1-CB 4.22Å; V588-L599 HydrophobicContact CG1-CD2 4.01Å; V588-V683 HydrophobicContact CG1-CG2 4.4Å; V588-V683 CarbonylContact O-C 3.52Å; V588-V683 WeakPolarHBondContact O-CA 3.3Å; V588-V684 PolarHBondContact O-N 3.1Å; V588-F712 HydrophobicContact CB-CE1 3.86Å; V588-F712 HydrophobicContact CB-CZ 4.1Å; V588-F712 HydrophobicContact CG1-CE1 3.85Å; V588-F712 HydrophobicContact CG1-CZ 3.69Å; V588-F712 HydrophobicContact CG2-CE1 4.07Å; V588-F712 HydrophobicContact CG2-CZ 4.09Å
589M94.3Very high83.7Confident0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-127.9162.8173.158.2-177.8172.800110.6V591 L599 V600 I602 V656 A661 A664 V684M589-V591 HydrophobicContact CE-CG1 3.99Å; M589-V591 HydrophobicContact CG-CG1 4.05Å; M589-V591 HydrophobicContact SD-CG1 3.88Å; M589-L599 WeakPolarHBondContact O-CA 3.42Å; M589-V600 HydrophobicContact CE-CB 4.41Å; M589-V600 HydrophobicContact CE-CG1 4.19Å; M589-V600 WeakPolarHBondContact CG-O 3.32Å; M589-V600 PolarHBondContact N-O 2.82Å; M589-V600 PolarHBondContact O-N 3.06Å; M589-I602 HydrophobicContact CE-CB 4.19Å; M589-V656 HydrophobicContact CE-CB 4.36Å; M589-V656 HydrophobicContact CE-CG1 4.06Å; M589-V656 HydrophobicContact CE-CG2 3.63Å; M589-A661 HydrophobicContact CE-CB 4.12Å; M589-A661 HydrophobicContact SD-CB 3.3Å; M589-A661 WeakPolarHBondContact SD-CB 3.42Å; M589-A664 HydrophobicContact CB-CB 3.87Å; M589-A664 HydrophobicContact CG-CB 4.5Å; M589-A664 HydrophobicContact SD-CB 4.31Å; M589-V684 VanDerWaalsContact CA-O 3.3Å; M589-V684 WeakPolarHBondContact CA-O 3.18Å; M589-V684 WeakPolarHBondContact CB-O 3.32Å
590V92.8Very high85.1Confident0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-104122.1167.6-170.10000107.8P597 L598 L599 V683 R703 A707V590-P597 HydrophobicContact CG1-CB 3.78Å; V590-L598 CarbonylContact C-O 3.54Å; V590-L598 WeakPolarHBondContact CA-O 3.3Å; V590-L599 HydrophobicContact CG2-CD2 4.47Å; V590-L599 HydrophobicContact CG2-CG 4.27Å; V590-V683 HydrophobicContact CG2-CG2 3.63Å; V590-R703 HydrophobicContact CB-CB 3.87Å; V590-R703 HydrophobicContact CB-CG 3.96Å; V590-R703 HydrophobicContact CG1-CB 4.03Å; V590-R703 HydrophobicContact CG1-CG 3.9Å; V590-R703 HydrophobicContact CG2-CB 4.21Å; V590-R703 PolarHBondContact O-NH1 3.35Å; V590-A707 HydrophobicContact CG2-CB 4.13Å
591V90.8Very high86.6Confident4 Ų432 Ų322%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-113.3148.5174.5-63.40000110.9M589 P597 L598 V600 V656 E658M589-V591 HydrophobicContact CE-CG1 3.99Å; M589-V591 HydrophobicContact CG-CG1 4.05Å; M589-V591 HydrophobicContact SD-CG1 3.88Å; V591-P597 CarbonylContact O-C 3.5Å; V591-P597 WeakPolarHBondContact O-CA 3.17Å; V591-L598 HydrophobicContact CG2-CB 4.34Å; V591-L598 PolarHBondContact N-O 3.26Å; V591-L598 PolarHBondContact O-N 3.15Å; V591-V600 HydrophobicContact CG2-CB 4.1Å; V591-V600 HydrophobicContact CG2-CG2 3.45Å; V591-V600 VanDerWaalsContact CG2-CG2 3.45Å; V591-V656 HydrophobicContact CG1-CG1 4.03Å; V591-V656 HydrophobicContact CG1-CG2 4.29Å; V591-E658 WeakPolarHBondContact CA-OE1 3.45Å; V591-E658 VanDerWaalsContact CB-OE1 3.25Å; V591-E658 WeakPolarHBondContact CB-OE1 3.38Å
592W86.7Confident87.7Confident71 Ų7124.3 Ų24.327%0.26914%0.144SC..EExtended strand (participates in β ladder)trans-90.2126.2171.8-73.980.5000110.5T595 P597 E658 E702W592-T595 WeakPolarHBondContact CZ3-O 3.36Å; W592-P597 HydrophobicContact CD2-CB 4.41Å; W592-P597 HydrophobicContact CH2-CB 4.39Å; W592-P597 HydrophobicContact CH2-CG 4.18Å; W592-P597 HydrophobicContact CZ2-CB 4.24Å; W592-P597 HydrophobicContact CZ2-CG 4.45Å; W592-P597 HydrophobicContact CZ3-CG 4.37Å; W592-E658 PolarHBondContact N-OE1 2.87Å; W592-E702 HydrophobicContact CH2-CB 4.23Å; W592-E702 HydrophobicContact CZ2-CB 3.77Å
593E77Confident88.5Confident30 Ų3023.3 Ų23.314%0.1413%0.134CC..EExtended strand (participates in β ladder)trans-114.1100.8164.5-83.9-73.7-146.400109.3R543 N553 L555 T595 R596 L598R543-E593 IonicContact CZ-OE1 3.45Å; R543-E593 IonicContact CZ-OE2 3.59Å; R543-E593 IonicContact NH1-OE1 3.64Å; R543-E593 PolarHBondContact NH1-OE1 3.35Å; R543-E593 IonicContact NH1-OE2 3.22Å; R543-E593 PolarHBondContact NH1-OE2 3.14Å; R543-E593 VanDerWaalsContact NH2-CD 3.33Å; R543-E593 IonicContact NH2-OE1 3.6Å; R543-E593 PolarHBondContact NH2-OE1 2.91Å; R543-E593 IonicContact NH2-OE2 3.02Å; N553-E593 CarbonylContact O-C 3.55Å; L555-E593 HydrophobicContact CB-CB 4.43Å; E593-T595 PolarHBondContact O-N 3.37Å; E593-R596 PolarHBondContact N-O 3.31Å; E593-R596 PolarHBondContact O-N 3.46Å; E593-L598 HydrophobicContact CB-CD1 3.75Å; E593-L598 HydrophobicContact CB-CG 4.48Å; E593-L598 HydrophobicContact CG-CD1 3.79Å
594G74.9Confident89Confident29 Ų2920 Ų2030%0.29912%0.115SC..THydrogen-bonded Turntrans62.6-122.2-168.600000110.7N553N553-G594 VanDerWaalsContact O-CA 3.31Å; N553-G594 WeakPolarHBondContact O-CA 3.43Å; N553-G594 PolarHBondContact O-N 3.26Å; N553-G594 VanDerWaalsContact O-N 3.14Å
595T73.6Confident89.1Confident80 Ų8023 Ų2349%0.49113%0.127SC..THydrogen-bonded Turntrans-96.28.2172.770.10000113.7A551 E554 W592 E593A551-T595 HydrophobicContact CB-CG2 4.04Å; E554-T595 WeakPolarHBondContact OE1-CA 3.47Å; E554-T595 WeakPolarHBondContact OE1-CB 3.29Å; E554-T595 WeakPolarHBondContact OE1-CG2 3.2Å; E554-T595 PolarHBondContact OE1-N 3.44Å; E554-T595 PolarHBondContact OE1-OG1 3.02Å; E554-T595 PolarHBondContact OE2-OG1 2.96Å; W592-T595 WeakPolarHBondContact CZ3-O 3.36Å; E593-T595 PolarHBondContact O-N 3.37Å
596R79.7Confident89.2Confident27 Ų2723.5 Ų23.510%0.10213%0.13CC..EExtended strand (participates in β ladder)trans-103115.8178.3-178.7171.7-85.9-178.2-15.6110.7E371 R374 L555 E593 L598E371-R596 IonicContact OE1-CZ 3.14Å; E371-R596 IonicContact OE1-NH1 2.85Å; E371-R596 PolarHBondContact OE1-NH1 2.87Å; E371-R596 IonicContact OE1-NH2 3.17Å; E371-R596 PolarHBondContact OE1-NH2 2.91Å; E371-R596 IonicContact OE2-CZ 3.95Å; E371-R596 IonicContact OE2-NH1 2.7Å; E371-R596 PolarHBondContact OE2-NH1 3.32Å; E371-R596 IonicContact OE2-NH2 3.32Å; R374-R596 VanDerWaalsContact CZ-NH2 3.33Å; L555-R596 PolarHBondContact O-NH1 3.3Å; E593-R596 PolarHBondContact N-O 3.31Å; E593-R596 PolarHBondContact O-N 3.46Å; R596-L598 HydrophobicContact CG-CD2 3.86Å; R596-L598 HydrophobicContact CG-CG 4.2Å
597P87.1Confident89.2Confident18 Ų1827.5 Ų27.512%0.11715%0.149CC..EExtended strand (participates in β ladder)trans-71.1130.8165.229-31000109.4V590 V591 W592 E706V590-P597 HydrophobicContact CG1-CB 3.78Å; V591-P597 CarbonylContact O-C 3.5Å; V591-P597 WeakPolarHBondContact O-CA 3.17Å; W592-P597 HydrophobicContact CD2-CB 4.41Å; W592-P597 HydrophobicContact CH2-CB 4.39Å; W592-P597 HydrophobicContact CH2-CG 4.18Å; W592-P597 HydrophobicContact CZ2-CB 4.24Å; W592-P597 HydrophobicContact CZ2-CG 4.45Å; W592-P597 HydrophobicContact CZ3-CG 4.37Å; P597-E706 HydrophobicContact CB-CB 4.14Å; P597-E706 HydrophobicContact CB-CG 3.94Å; P597-E706 HydrophobicContact CG-CB 4Å; P597-E706 HydrophobicContact CG-CG 3.66Å
598L86.5Confident89.1Confident2 Ų231.7 Ų31.71%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-121.8134.6177.8-66174.3000109.3L555 P571 F575 V590 V591 E593 R596 V600L555-L598 HydrophobicContact CD2-CD1 3.57Å; P571-L598 HydrophobicContact CB-CD2 4.01Å; F575-L598 HydrophobicContact CE2-CD1 4.13Å; F575-L598 HydrophobicContact CE2-CD2 4.29Å; V590-L598 CarbonylContact C-O 3.54Å; V590-L598 WeakPolarHBondContact CA-O 3.3Å; V591-L598 HydrophobicContact CG2-CB 4.34Å; V591-L598 PolarHBondContact N-O 3.26Å; V591-L598 PolarHBondContact O-N 3.15Å; E593-L598 HydrophobicContact CB-CD1 3.75Å; E593-L598 HydrophobicContact CB-CG 4.48Å; E593-L598 HydrophobicContact CG-CD1 3.79Å; R596-L598 HydrophobicContact CG-CD2 3.86Å; R596-L598 HydrophobicContact CG-CG 4.2Å; L598-V600 HydrophobicContact CB-CG2 4.17Å
599L90.6Very high89Confident0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-80.7126.7166.7-66.8103.5000109.2F575 L576 V588 M589 V590 E706 A707 H710 F712F575-L599 VanDerWaalsContact CB-O 3.24Å; F575-L599 WeakPolarHBondContact CB-O 3.2Å; L576-L599 HydrophobicContact CD1-CB 4.16Å; L576-L599 HydrophobicContact CD2-CB 4.13Å; L576-L599 HydrophobicContact CG-CB 4.25Å; V588-L599 HydrophobicContact CG1-CB 4.22Å; V588-L599 HydrophobicContact CG1-CD2 4.01Å; M589-L599 WeakPolarHBondContact O-CA 3.42Å; V590-L599 HydrophobicContact CG2-CD2 4.47Å; V590-L599 HydrophobicContact CG2-CG 4.27Å; L599-E706 HydrophobicContact CD1-CG 4.43Å; L599-A707 HydrophobicContact CD2-CB 4.15Å; L599-H710 HydrophobicContact CD1-CB 3.83Å; L599-H710 VanDerWaalsContact CD1-CG 3.41Å; L599-H710 HydrophobicContact CD2-CB 4.46Å; L599-F712 HydrophobicContact CD2-CD2 3.57Å; L599-F712 HydrophobicContact CD2-CE2 3.29Å; L599-F712 HydrophobicContact CD2-CG 4.33Å; L599-F712 HydrophobicContact CD2-CZ 3.83Å
600V90Very high88.7Confident0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-132.3131.8-176.5178.60000108.7F575 M589 V591 L598 V650 V654F575-V600 HydrophobicContact CB-CG2 4.25Å; M589-V600 HydrophobicContact CE-CB 4.41Å; M589-V600 HydrophobicContact CE-CG1 4.19Å; M589-V600 WeakPolarHBondContact CG-O 3.32Å; M589-V600 PolarHBondContact N-O 2.82Å; M589-V600 PolarHBondContact O-N 3.06Å; V591-V600 HydrophobicContact CG2-CB 4.1Å; V591-V600 HydrophobicContact CG2-CG2 3.45Å; V591-V600 VanDerWaalsContact CG2-CG2 3.45Å; L598-V600 HydrophobicContact CB-CG2 4.17Å; V600-V650 HydrophobicContact CG1-CG1 3.37Å; V600-V654 HydrophobicContact CG1-CB 4.21Å; V600-V654 HydrophobicContact CG1-CG2 4.34Å; V600-V654 HydrophobicContact CG2-CB 4.49Å; V600-V654 HydrophobicContact CG2-CG1 4.29Å; V600-V654 HydrophobicContact CG2-CG2 4.18Å
601E91.2Very high88.3Confident9 Ų944.6 Ų44.64%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-84.2135.3173.6-173.6-176.3157.300110.8F575 S577 S586 S587 Q603 V651F575-E601 PolarHBondContact O-N 2.92Å; S577-E601 WeakPolarHBondContact CA-OE2 3.32Å; S577-E601 WeakPolarHBondContact CB-OE2 3.38Å; S577-E601 PolarHBondContact N-OE2 2.9Å; S586-E601 VanDerWaalsContact OG-CG 3.25Å; S586-E601 WeakPolarHBondContact OG-CG 3.31Å; S586-E601 PolarHBondContact OG-OE1 3.16Å; S587-E601 WeakPolarHBondContact O-CA 3.45Å; E601-Q603 HydrophobicContact CG-CG 4.3Å; E601-Q603 PolarHBondContact OE1-NE2 2.98Å; E601-V651 HydrophobicContact CB-CB 3.99Å; E601-V651 HydrophobicContact CB-CG2 3.81Å; E601-V651 HydrophobicContact CG-CG2 3.93Å; E601-V651 PolarHBondContact O-N 2.94Å
602I93.2Very high88.1Confident0 Ų049.4 Ų49.40%027%0.272CS..EExtended strand (participates in β ladder)trans-115.1131.4170.2-169.6173.5000109S587 M589 L621 V648 V650 A664 L665 A668S587-I602 PolarHBondContact N-O 2.65Å; S587-I602 WeakPolarHBondContact O-CG2 3.5Å; S587-I602 PolarHBondContact O-N 2.75Å; M589-I602 HydrophobicContact CE-CB 4.19Å; I602-L621 HydrophobicContact CD1-CD1 3.4Å; I602-L621 HydrophobicContact CG1-CD1 4.19Å; I602-V648 HydrophobicContact CD1-CG1 4.05Å; I602-V648 HydrophobicContact CG1-CG1 4.06Å; I602-V650 HydrophobicContact CG1-CG2 4.5Å; I602-A664 HydrophobicContact CG2-CB 4.23Å; I602-L665 HydrophobicContact CD1-CB 3.68Å; I602-L665 HydrophobicContact CD1-CD1 3.73Å; I602-L665 HydrophobicContact CD1-CD2 4.43Å; I602-L665 HydrophobicContact CD1-CG 4.12Å; I602-L665 HydrophobicContact CG1-CD1 4.49Å; I602-A668 HydrophobicContact CG2-CB 4.34Å
603Q94.1Very high88.2Confident63 Ų6352.6 Ų52.629%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-114.6137.8-179-65.5177-24.100109.5G585 E601 V648 N649 V651G585-Q603 CarbonylContact O-C 3.45Å; G585-Q603 WeakPolarHBondContact O-CA 3.36Å; E601-Q603 HydrophobicContact CG-CG 4.3Å; E601-Q603 PolarHBondContact OE1-NE2 2.98Å; Q603-V648 CarbonylContact O-C 3.49Å; Q603-V648 VanDerWaalsContact O-CA 3.29Å; Q603-V648 WeakPolarHBondContact O-CA 3.21Å; Q603-N649 PolarHBondContact N-O 2.85Å; Q603-N649 PolarHBondContact O-N 2.89Å; Q603-V651 HydrophobicContact CG-CG2 3.86Å
604A96.2Very high88.9Confident8 Ų852.6 Ų52.67%0.06630%0.297CS..EExtended strand (participates in β ladder)trans-127.3136.5172.600000109.3G585 F647 A668 M669 S672G585-A604 WeakPolarHBondContact CA-O 3.37Å; G585-A604 PolarHBondContact O-N 3.36Å; A604-F647 CarbonylContact C-O 3.57Å; A604-F647 VanDerWaalsContact CA-O 3.28Å; A604-F647 WeakPolarHBondContact CA-O 3.33Å; A604-A668 HydrophobicContact CB-CB 3.94Å; A604-M669 HydrophobicContact CB-CB 4.38Å; A604-M669 HydrophobicContact CB-CG 3.74Å; A604-S672 WeakPolarHBondContact O-CB 3.43Å; A604-S672 PolarHBondContact O-OG 3.13Å
605L96.2Very high89.8Confident100 Ų10057.3 Ų57.352%0.52431%0.306SS..EExtended strand (participates in β ladder)trans-120.4114.3168.7174.966.3000107.5F647 S672L605-F647 HydrophobicContact CB-CB 4.3Å; L605-F647 HydrophobicContact CD2-CD2 4.32Å; L605-F647 HydrophobicContact CG-CD2 4.49Å; L605-F647 PolarHBondContact N-O 2.86Å; L605-F647 PolarHBondContact O-N 2.9Å; L605-S672 WeakPolarHBondContact CA-OG 3.4Å
606V96.2Very high90.8Very high12 Ų1258.5 Ų58.57%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-111.6120.1176.8-176.40000107.4M641 Q644 D645 V646 M669 S672 L673V606-M641 HydrophobicContact CG1-SD 4.43Å; V606-M641 HydrophobicContact CG2-CE 4.49Å; V606-Q644 HydrophobicContact CG1-CB 3.71Å; V606-Q644 HydrophobicContact CG1-CG 4.04Å; V606-D645 WeakPolarHBondContact CA-O 3.41Å; V606-V646 HydrophobicContact CG1-CG2 4.47Å; V606-V646 HydrophobicContact CG2-CG1 4.42Å; V606-V646 HydrophobicContact CG2-CG2 4.37Å; V606-M669 HydrophobicContact CG2-CB 4.13Å; V606-M669 HydrophobicContact CG2-CG 4.39Å; V606-S672 PolarHBondContact N-OG 3.19Å; V606-L673 HydrophobicContact CB-CB 4.35Å; V606-L673 HydrophobicContact CG1-CB 4.15Å; V606-L673 HydrophobicContact CG1-CD1 3.94Å
607D94.1Very high91.5Very high104 Ų10460.1 Ų60.156%0.55631%0.314SS*.EExtended strand (participates in β ladder)trans-141.7157.4-178.9-167.215.9000111S609 Q644 D645D607-S609 PolarHBondContact O-N 3.23Å; D607-Q644 CarbonylContact O-C 3.51Å; D607-Q644 VanDerWaalsContact O-CA 3.25Å; D607-Q644 WeakPolarHBondContact O-CA 3.33Å; D607-Q644 PolarHBondContact O-OE1 3.43Å; D607-D645 PolarHBondContact N-O 3.16Å; D607-D645 PolarHBondContact O-N 3.19Å
608H92.3Very high91.8Very high93 Ų9360.4 Ų60.443%0.43132%0.318SS..EExtended strand (participates in β ladder)trans-67.7127.8-176.5-171.361.9000111.2D643 Q644H608-D643 IonicContact CE1-OD2 2.77Å; H608-D643 PolarHBondContact CE1-OD2 2.67Å; H608-D643 IonicContact ND1-OD2 3.87Å; H608-Q644 VanDerWaalsContact CA-OE1 3.32Å; H608-Q644 VanDerWaalsContact N-OE1 3.16Å; H608-Q644 PolarHBondContact ND1-NE2 2.77Å
609S91.1Very high92Very high11 Ų1164.2 Ų64.28%0.07734%0.341CS..  trans-78.9128-178.4-162.60000111.6D607 M611 P614 D643 D645D607-S609 PolarHBondContact O-N 3.23Å; S609-M611 VanDerWaalsContact C-N 3.25Å; S609-M611 PolarHBondContact OG-N 3.49Å; S609-P614 WeakPolarHBondContact OG-CA 3.43Å; S609-D643 VanDerWaalsContact CB-O 3.3Å; S609-D643 WeakPolarHBondContact CB-O 3.34Å; S609-D643 PolarHBondContact N-O 2.91Å; S609-D645 WeakPolarHBondContact CB-OD1 3.43Å; S609-D645 PolarHBondContact OG-OD1 3.44Å
610M88.2Confident92Very high174 Ų17465.2 Ų65.286%0.85735%0.352SS*.SBendtrans-83.9-1.9170.6-59-66.8160.700112.5
611M85.1Confident92.1Very high102 Ų10266.4 Ų66.450%0.50236%0.358SS..SBendtrans-105.9153.4-176.2-62.4-170.6178.200111.3S609 N613S609-M611 VanDerWaalsContact C-N 3.25Å; S609-M611 PolarHBondContact OG-N 3.49Å; M611-N613 PolarHBondContact O-N 3.23Å
612A86.7Confident92.1Very high105 Ų10570.1 Ų70.187%0.86838%0.375SS*.SBendtrans-62.3-26174.500000113.2
613N89.3Confident92Very high137 Ų13775.8 Ų75.873%0.73340%0.402SS*.SBendtrans-121.6105.9176.7-71.8-29.5000109.2M611M611-N613 PolarHBondContact O-N 3.23Å
614P91.5Very high91.9Very high30 Ų3078.1 Ų78.120%0.19542%0.416CS..  trans-63.2143.3179.5-26.736.9000113.5S609 A642 Q644 D645S609-P614 WeakPolarHBondContact OG-CA 3.43Å; P614-A642 WeakPolarHBondContact CG-O 3.37Å; P614-Q644 WeakPolarHBondContact CB-O 3.32Å; P614-D645 WeakPolarHBondContact CA-OD1 3.25Å
615R93.6Very high91.8Very high128 Ų12880 Ų8048%0.48342%0.421SS..  trans-77.8138.9-178.6-66.2-178.8171.5-165.9-3.5110.3D645 V646 F647R615-D645 HydrophobicContact CB-CB 4.37Å; R615-D645 PolarHBondContact N-OD1 2.91Å; R615-D645 CarbonylContact O-C 3.41Å; R615-D645 WeakPolarHBondContact O-CA 3.28Å; R615-V646 PolarHBondContact O-N 3.37Å; R615-F647 HydrophobicContact CB-CZ 4.24Å
616R93.9Very high91.7Very high105 Ų10575.3 Ų75.340%0.39640%0.397SS..EExtended strand (participates in β ladder)trans-132.2102.7175.5-62.1175.3-171.5158.53.2108.6Q623 L626 L630 V646R616-Q623 PolarHBondContact O-NE2 2.93Å; R616-L626 HydrophobicContact CB-CD2 4.28Å; R616-L630 HydrophobicContact CG-CD1 4.34Å; R616-V646 CarbonylContact C-O 3.57Å; R616-V646 WeakPolarHBondContact CA-O 3.32Å
617V94Very high91.6Very high62 Ų6276.7 Ų76.738%0.37641%0.41SS..EExtended strand (participates in β ladder)trans-120.5126.8-173.4-176.20000108.5V619 V646 F647 V648V617-V619 HydrophobicContact CG1-CG2 4.49Å; V617-V646 PolarHBondContact N-O 3Å; V617-F647 HydrophobicContact CB-CD1 3.78Å; V617-F647 HydrophobicContact CB-CE1 4.31Å; V617-F647 HydrophobicContact CG2-CD1 3.84Å; V617-F647 HydrophobicContact CG2-CE1 3.84Å; V617-F647 CarbonylContact O-C 3.39Å; V617-F647 WeakPolarHBondContact O-CA 3.37Å; V617-V648 PolarHBondContact O-N 2.85Å
618A94.1Very high91.6Very high24 Ų2475.8 Ų75.820%0.19840%0.404CS..EExtended strand (participates in β ladder)trans-124.3125.9175.400000109.6L621 L626 V648A618-L621 HydrophobicContact CB-CB 4.39Å; A618-L626 HydrophobicContact CB-CD2 4.17Å; A618-V648 CarbonylContact C-O 3.57Å; A618-V648 WeakPolarHBondContact CA-O 3.39Å; A618-V648 HydrophobicContact CB-CB 4.47Å
619V91.5Very high91.8Very high81 Ų8171.5 Ų71.549%0.49138%0.384SS..EExtended strand (participates in β ladder)trans-114.3123.5174.4-177.60000108.1V617 L621 V648 V650V617-V619 HydrophobicContact CG1-CG2 4.49Å; V619-L621 VanDerWaalsContact C-N 3.33Å; V619-V648 PolarHBondContact N-O 2.83Å; V619-V650 PolarHBondContact O-N 2.97Å
620G89.3Confident92Very high22 Ų2271.8 Ų71.823%0.22739%0.385CS..SBendtrans86-3.6-175.700000115.1K655 V656G620-K655 CarbonylContact O-C 3.56Å; G620-K655 WeakPolarHBondContact O-CA 3.31Å; G620-V656 PolarHBondContact O-N 3.42Å
621L91.7Very high92.3Very high24 Ų2466.3 Ų66.313%0.12637%0.367CS..SBendtrans-132.7164.6177.5-74146000111.2I602 A618 V619 V648 V650 V656 L665I602-L621 HydrophobicContact CD1-CD1 3.4Å; I602-L621 HydrophobicContact CG1-CD1 4.19Å; A618-L621 HydrophobicContact CB-CB 4.39Å; V619-L621 VanDerWaalsContact C-N 3.33Å; L621-V648 HydrophobicContact CD1-CG1 3.71Å; L621-V650 HydrophobicContact CD1-CG2 3.43Å; L621-V650 VanDerWaalsContact CD1-CG2 3.43Å; L621-V650 HydrophobicContact CG-CG2 3.65Å; L621-V656 HydrophobicContact CD2-CB 3.74Å; L621-V656 HydrophobicContact CD2-CG1 3.91Å; L621-V656 HydrophobicContact CG-CB 4.29Å; L621-L665 HydrophobicContact CD1-CD2 4.41Å
622E91Very high92.8Very high88 Ų8861.8 Ų61.841%0.41135%0.345SS..  trans-80.4133.7178.8-164.5-87.2137.600111.4N624 R625 L626E622-N624 WeakPolarHBondContact OE1-CB 3.26Å; E622-N624 VanDerWaalsContact OE1-CG 3.25Å; E622-N624 PolarHBondContact OE1-N 3.41Å; E622-N624 PolarHBondContact OE1-ND2 2.8Å; E622-N624 PolarHBondContact OE2-N 3.41Å; E622-R625 HydrophobicContact CB-CB 4.37Å; E622-R625 WeakPolarHBondContact O-CB 3.49Å; E622-R625 PolarHBondContact O-N 2.76Å; E622-R625 WeakPolarHBondContact OE2-CB 3.44Å; E622-R625 PolarHBondContact OE2-N 2.86Å; E622-L626 PolarHBondContact O-N 3.26Å
623Q91.8Very high93.2Very high119 Ų11956.8 Ų56.856%0.55630%0.304SS*.Hα-helixtrans-71-35-170.5-166.2175.619.400113.2R616 R625 L626 A627R616-Q623 PolarHBondContact O-NE2 2.93Å; Q623-R625 VanDerWaalsContact C-N 3.32Å; Q623-L626 WeakPolarHBondContact O-CB 3.45Å; Q623-L626 PolarHBondContact O-N 3.47Å; Q623-A627 PolarHBondContact O-N 3.43Å
624N92.8Very high93.5Very high111 Ų11155.1 Ų55.159%0.59429%0.291SS*.Hα-helixtrans-69.3-34177.5-59.5-56.2000111.5E622 L626 A627 I628E622-N624 WeakPolarHBondContact OE1-CB 3.26Å; E622-N624 VanDerWaalsContact OE1-CG 3.25Å; E622-N624 PolarHBondContact OE1-N 3.41Å; E622-N624 PolarHBondContact OE1-ND2 2.8Å; E622-N624 PolarHBondContact OE2-N 3.41Å; N624-L626 VanDerWaalsContact C-N 3.34Å; N624-L626 PolarHBondContact O-N 2.97Å; N624-A627 WeakPolarHBondContact O-CB 3.5Å; N624-A627 PolarHBondContact O-N 3.45Å; N624-A627 VanDerWaalsContact O-N 3.13Å; N624-I628 WeakPolarHBondContact O-CG1 3.32Å; N624-I628 PolarHBondContact O-N 2.85Å
625R93Very high93.6Very high47 Ų4763.2 Ų63.218%0.17732%0.318CS..Hα-helixtrans-58.8-44.1173-171.3180-69.9-165.97.6111.9E622 Q623 A627 I628 L629 T657 E658 D662E622-R625 HydrophobicContact CB-CB 4.37Å; E622-R625 WeakPolarHBondContact O-CB 3.49Å; E622-R625 PolarHBondContact O-N 2.76Å; E622-R625 WeakPolarHBondContact OE2-CB 3.44Å; E622-R625 PolarHBondContact OE2-N 2.86Å; Q623-R625 VanDerWaalsContact C-N 3.32Å; R625-A627 VanDerWaalsContact C-N 3.29Å; R625-A627 PolarHBondContact O-N 2.92Å; R625-I628 PolarHBondContact O-N 2.93Å; R625-L629 HydrophobicContact CG-CD1 4.03Å; R625-L629 HydrophobicContact CG-CG 4.39Å; R625-L629 WeakPolarHBondContact O-CB 3.42Å; R625-L629 VanDerWaalsContact O-CG 3.31Å; R625-L629 WeakPolarHBondContact O-CG 3.36Å; R625-L629 PolarHBondContact O-N 2.92Å; R625-T657 PolarHBondContact NH2-O 3.44Å; R625-E658 PolarHBondContact NH1-O 2.88Å; R625-D662 WeakPolarHBondContact CD-OD1 3.4Å; R625-D662 IonicContact NH1-OD1 3.31Å; R625-D662 PolarHBondContact NH1-OD1 2.64Å
626L95Very high93.6Very high3 Ų360.6 Ų60.62%0.01631%0.311CS..Hα-helixtrans-56.4-44.8173.4175.759.5000111.3R616 A618 E622 Q623 N624 I628 L629 L630 V646 V648 L665 M669R616-L626 HydrophobicContact CB-CD2 4.28Å; A618-L626 HydrophobicContact CB-CD2 4.17Å; E622-L626 PolarHBondContact O-N 3.26Å; Q623-L626 WeakPolarHBondContact O-CB 3.45Å; Q623-L626 PolarHBondContact O-N 3.47Å; N624-L626 VanDerWaalsContact C-N 3.34Å; N624-L626 PolarHBondContact O-N 2.97Å; L626-I628 PolarHBondContact O-N 3.41Å; L626-L629 PolarHBondContact O-N 2.83Å; L626-L630 HydrophobicContact CD1-CD1 4.15Å; L626-L630 HydrophobicContact CD1-CG 4.19Å; L626-L630 HydrophobicContact CG-CD1 4.1Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 3.07Å; L626-V646 HydrophobicContact CD1-CG1 4.18Å; L626-V646 HydrophobicContact CD2-CG1 4.42Å; L626-V648 HydrophobicContact CD1-CG2 3.94Å; L626-V648 HydrophobicContact CD2-CG2 4.14Å; L626-L665 HydrophobicContact CD1-CD2 4.34Å; L626-M669 HydrophobicContact CD1-CE 4.42Å; L626-M669 HydrophobicContact CD1-SD 3.7Å
627A93.4Very high93.4Very high40 Ų4056.5 Ų56.533%0.33130%0.301SS..Hα-helixtrans-63.4-41.7179.300000112.9Q623 N624 R625 A631Q623-A627 PolarHBondContact O-N 3.43Å; N624-A627 WeakPolarHBondContact O-CB 3.5Å; N624-A627 PolarHBondContact O-N 3.45Å; N624-A627 VanDerWaalsContact O-N 3.13Å; R625-A627 VanDerWaalsContact C-N 3.29Å; R625-A627 PolarHBondContact O-N 2.92Å; A627-A631 PolarHBondContact O-N 3.05Å; A627-A631 VanDerWaalsContact O-N 3.13Å
628I94.5Very high93.3Very high86 Ų8656.7 Ų56.744%0.44132%0.316SS..Hα-helixtrans-63.3-46.2176.2-68.7167.6000110.5N624 R625 L626 L630 A631 V632 L690N624-I628 WeakPolarHBondContact O-CG1 3.32Å; N624-I628 PolarHBondContact O-N 2.85Å; R625-I628 PolarHBondContact O-N 2.93Å; L626-I628 PolarHBondContact O-N 3.41Å; I628-L630 PolarHBondContact O-N 3.32Å; I628-A631 WeakPolarHBondContact O-CB 3.31Å; I628-A631 PolarHBondContact O-N 3.37Å; I628-A631 VanDerWaalsContact O-N 3.11Å; I628-V632 HydrophobicContact CG2-CG2 4.43Å; I628-V632 WeakPolarHBondContact O-CG2 3.37Å; I628-V632 PolarHBondContact O-N 3.13Å; I628-L690 HydrophobicContact CG2-CD2 3.43Å; I628-L690 VanDerWaalsContact CG2-CD2 3.43Å
629L95.8Very high93.1Very high3 Ų356.8 Ų56.82%0.01631%0.313CS..Hα-helixtrans-64.4-39.6-178.9-69.7174.5000112.1R625 L626 A631 V632 L633 D662 L665 L666 V688R625-L629 HydrophobicContact CG-CD1 4.03Å; R625-L629 HydrophobicContact CG-CG 4.39Å; R625-L629 WeakPolarHBondContact O-CB 3.42Å; R625-L629 VanDerWaalsContact O-CG 3.31Å; R625-L629 WeakPolarHBondContact O-CG 3.36Å; R625-L629 PolarHBondContact O-N 2.92Å; L626-L629 PolarHBondContact O-N 2.83Å; L629-A631 VanDerWaalsContact C-N 3.31Å; L629-A631 PolarHBondContact O-N 3.34Å; L629-V632 PolarHBondContact O-N 3.47Å; L629-L633 WeakPolarHBondContact O-CB 2.88Å; L629-L633 PolarHBondContact O-N 3.28Å; L629-D662 HydrophobicContact CD1-CB 4.11Å; L629-D662 HydrophobicContact CD2-CB 3.8Å; L629-L665 HydrophobicContact CD1-CB 4.49Å; L629-L665 HydrophobicContact CD1-CD2 3.67Å; L629-L665 HydrophobicContact CD1-CG 4.28Å; L629-L666 HydrophobicContact CB-CD2 3.83Å; L629-L666 HydrophobicContact CD2-CD1 4.43Å; L629-L666 HydrophobicContact CD2-CG 4.4Å; L629-V688 HydrophobicContact CD2-CB 3.9Å; L629-V688 HydrophobicContact CD2-CG1 4.31Å; L629-V688 HydrophobicContact CD2-CG2 4.36Å
630L95.5Very high93Very high16 Ų1658.9 Ų58.98%0.08432%0.317CS..Hα-helixtrans-60.2-40.5171.8-72.9169.3000112R616 L626 I628 L633 H634 M641 V646 M669R616-L630 HydrophobicContact CG-CD1 4.34Å; L626-L630 HydrophobicContact CD1-CD1 4.15Å; L626-L630 HydrophobicContact CD1-CG 4.19Å; L626-L630 HydrophobicContact CG-CD1 4.1Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 3.07Å; I628-L630 PolarHBondContact O-N 3.32Å; L630-L633 PolarHBondContact O-N 3.14Å; L630-H634 WeakPolarHBondContact O-CB 3.21Å; L630-H634 PolarHBondContact O-N 2.89Å; L630-M641 HydrophobicContact CD2-CB 4.18Å; L630-M641 HydrophobicContact CD2-SD 3.65Å; L630-V646 HydrophobicContact CD1-CG2 4.37Å; L630-V646 HydrophobicContact CD2-CG2 4.2Å; L630-M669 HydrophobicContact CD2-CE 4.09Å; L630-M669 HydrophobicContact CD2-SD 3.71Å; L630-M669 HydrophobicContact CG-SD 4.32Å
631A94.7Very high93.1Very high60 Ų6058.3 Ų58.350%0.49631%0.309SS..Hα-helixtrans-66.2-41.1176.900000112.4A627 I628 L629 H634 R635A627-A631 PolarHBondContact O-N 3.05Å; A627-A631 VanDerWaalsContact O-N 3.13Å; I628-A631 WeakPolarHBondContact O-CB 3.31Å; I628-A631 PolarHBondContact O-N 3.37Å; I628-A631 VanDerWaalsContact O-N 3.11Å; L629-A631 VanDerWaalsContact C-N 3.31Å; L629-A631 PolarHBondContact O-N 3.34Å; A631-H634 PolarHBondContact O-N 3.42Å; A631-R635 WeakPolarHBondContact O-CB 3.49Å; A631-R635 PolarHBondContact O-N 3.08Å
632V96.1Very high92.9Very high6 Ų660 Ų604%0.03633%0.326CS..Hα-helixtrans-66.4-43.1175.4176.50000111I628 L629 H634 R635 H636 V688 L690 L738I628-V632 HydrophobicContact CG2-CG2 4.43Å; I628-V632 WeakPolarHBondContact O-CG2 3.37Å; I628-V632 PolarHBondContact O-N 3.13Å; L629-V632 PolarHBondContact O-N 3.47Å; V632-H634 VanDerWaalsContact C-N 3.31Å; V632-H634 PolarHBondContact O-N 3.43Å; V632-R635 PolarHBondContact O-N 3.25Å; V632-H636 HydrophobicContact CG1-CB 4.44Å; V632-H636 WeakPolarHBondContact O-CB 3.46Å; V632-H636 PolarHBondContact O-N 2.93Å; V632-V688 HydrophobicContact CB-CG1 4.5Å; V632-V688 HydrophobicContact CG1-CG1 3.7Å; V632-L690 HydrophobicContact CG2-CD2 4.11Å; V632-L738 HydrophobicContact CG1-CD2 4.29Å
633L95.4Very high92.9Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-59.8-42177.1-173.861.5000111.8L629 L630 G637 G638 L639 M641 L666 M669 V670 L738L629-L633 WeakPolarHBondContact O-CB 2.88Å; L629-L633 PolarHBondContact O-N 3.28Å; L630-L633 PolarHBondContact O-N 3.14Å; L633-G637 CarbonylContact O-C 3.46Å; L633-G637 VanDerWaalsContact O-C 3.32Å; L633-G637 WeakPolarHBondContact O-CA 3.36Å; L633-G637 PolarHBondContact O-N 2.94Å; L633-G638 PolarHBondContact O-N 3.3Å; L633-G638 VanDerWaalsContact O-N 3.14Å; L633-L639 HydrophobicContact CD1-CD1 4.2Å; L633-L639 HydrophobicContact CG-CB 4.23Å; L633-M641 HydrophobicContact CD2-CE 3.53Å; L633-M641 HydrophobicContact CD2-SD 3.77Å; L633-L666 HydrophobicContact CB-CD2 3.88Å; L633-L666 HydrophobicContact CD1-CD2 4.36Å; L633-L666 HydrophobicContact CD2-CD2 4.22Å; L633-L666 HydrophobicContact CG-CD2 4.38Å; L633-M669 HydrophobicContact CD2-CE 4.41Å; L633-V670 HydrophobicContact CD1-CG2 3.93Å; L633-V670 HydrophobicContact CD2-CG2 4.12Å; L633-L738 HydrophobicContact CD1-CD2 4.03Å
634H94.6Very high93Very high102 Ų10254.5 Ų54.547%0.47230%0.303SS..Hα-helixtrans-64.3-51.7174.4175.3-125.2000112.1L630 A631 V632 G638 L639L630-H634 WeakPolarHBondContact O-CB 3.21Å; L630-H634 PolarHBondContact O-N 2.89Å; A631-H634 PolarHBondContact O-N 3.42Å; V632-H634 VanDerWaalsContact C-N 3.31Å; V632-H634 PolarHBondContact O-N 3.43Å; H634-G638 PolarHBondContact O-N 2.83Å; H634-L639 VanDerWaalsContact CA-O 3.28Å; H634-L639 WeakPolarHBondContact CA-O 3.39Å
635R94.3Very high93.2Very high200 Ų20050.3 Ų50.376%0.75528%0.28SS*.Hα-helixtrans-70.9-37.5-173.7-178.360173.3-172-0.3113.7A631 V632A631-R635 WeakPolarHBondContact O-CB 3.49Å; A631-R635 PolarHBondContact O-N 3.08Å; V632-R635 PolarHBondContact O-N 3.25Å
636H93.4Very high93.3Very high74 Ų7448 Ų4834%0.34327%0.272SS..Hα-helixtrans-116.4-21.2-169.9-64.9-74.4000113.9V632 L690 A691V632-H636 HydrophobicContact CG1-CB 4.44Å; V632-H636 WeakPolarHBondContact O-CB 3.46Å; V632-H636 PolarHBondContact O-N 2.93Å; H636-L690 PolarHBondContact CD2-O 3.09Å; H636-L690 PolarHBondContact NE2-O 2.75Å; H636-A691 VanDerWaalsContact CE1-C 3.45Å; H636-A691 PolarHBondContact CE1-O 2.86Å; H636-A691 PolarHBondContact ND1-O 2.87Å
637G90.2Very high93.4Very high18 Ų1851.1 Ų51.119%0.18629%0.285CS..Hα-helixtrans-95.3-14.217200000113.9L633 L639L633-G637 CarbonylContact O-C 3.46Å; L633-G637 VanDerWaalsContact O-C 3.32Å; L633-G637 WeakPolarHBondContact O-CA 3.36Å; L633-G637 PolarHBondContact O-N 2.94Å; G637-L639 PolarHBondContact O-N 3.25Å
638G91.1Very high93.5Very high66 Ų6649.4 Ų49.468%0.6827%0.271SS*.  trans70.716.2179.900000114.2L633 H634L633-G638 PolarHBondContact O-N 3.3Å; L633-G638 VanDerWaalsContact O-N 3.14Å; H634-G638 PolarHBondContact O-N 2.83Å
639L91Very high93.5Very high27 Ų2748.3 Ų48.314%0.14127%0.266CS..  trans-105.9116.7-178.7-69170.9000110.5L633 H634 G637 V670 L673L633-L639 HydrophobicContact CD1-CD1 4.2Å; L633-L639 HydrophobicContact CG-CB 4.23Å; H634-L639 VanDerWaalsContact CA-O 3.28Å; H634-L639 WeakPolarHBondContact CA-O 3.39Å; G637-L639 PolarHBondContact O-N 3.25Å; L639-V670 HydrophobicContact CD1-CB 4.47Å; L639-V670 HydrophobicContact CD1-CG1 4.1Å; L639-V670 HydrophobicContact CD1-CG2 3.68Å; L639-L673 HydrophobicContact CD2-CD2 4.37Å
640Q88.2Confident93.2Very high124 Ų12448.3 Ų48.358%0.57927%0.266SS*.  trans-87.5115.3179-174.1174.4-33.100110.1A642Q640-A642 HydrophobicContact CG-CB 4.05Å
641M91.1Very high92.6Very high11 Ų1148.5 Ų48.55%0.05427%0.268CS..  trans-11726.6172.4-65.1177.1179.400111.1V606 L630 L633 D643 Q644 M669 L673V606-M641 HydrophobicContact CG1-SD 4.43Å; V606-M641 HydrophobicContact CG2-CE 4.49Å; L630-M641 HydrophobicContact CD2-CB 4.18Å; L630-M641 HydrophobicContact CD2-SD 3.65Å; L633-M641 HydrophobicContact CD2-CE 3.53Å; L633-M641 HydrophobicContact CD2-SD 3.77Å; M641-D643 VanDerWaalsContact C-N 3.27Å; M641-D643 PolarHBondContact O-N 3.33Å; M641-Q644 HydrophobicContact CB-CB 4.3Å; M641-Q644 HydrophobicContact CB-CG 4.26Å; M641-Q644 PolarHBondContact O-N 2.83Å; M641-M669 HydrophobicContact CE-CB 3.96Å; M641-M669 HydrophobicContact SD-CB 4.35Å; M641-L673 HydrophobicContact CE-CB 3.79Å; M641-L673 HydrophobicContact CE-CD2 3.48Å; M641-L673 VanDerWaalsContact CE-CD2 3.48Å; M641-L673 HydrophobicContact CE-CG 4.2Å; M641-L673 HydrophobicContact CG-CD2 4.04Å
642A88.9Confident91.5Very high59 Ų5948 Ų4849%0.48827%0.269SS..THydrogen-bonded Turntrans-70.9-25.4-174.500000112.9P614 Q640P614-A642 WeakPolarHBondContact CG-O 3.37Å; Q640-A642 HydrophobicContact CG-CB 4.05Å
643D91.3Very high90.2Very high67 Ų6750.9 Ų50.936%0.35830%0.299SS..THydrogen-bonded Turntrans-107.912.7-179.266.5-28.4000112.8H608 S609 M641H608-D643 IonicContact CE1-OD2 2.77Å; H608-D643 PolarHBondContact CE1-OD2 2.67Å; H608-D643 IonicContact ND1-OD2 3.87Å; S609-D643 VanDerWaalsContact CB-O 3.3Å; S609-D643 WeakPolarHBondContact CB-O 3.34Å; S609-D643 PolarHBondContact N-O 2.91Å; M641-D643 VanDerWaalsContact C-N 3.27Å; M641-D643 PolarHBondContact O-N 3.33Å
644Q93.7Very high89.3Confident25 Ų2551.4 Ų51.412%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-109.7135.7-176.5-52.6-65.1-47.700110.4V606 D607 H608 P614 M641 L673V606-Q644 HydrophobicContact CG1-CB 3.71Å; V606-Q644 HydrophobicContact CG1-CG 4.04Å; D607-Q644 CarbonylContact O-C 3.51Å; D607-Q644 VanDerWaalsContact O-CA 3.25Å; D607-Q644 WeakPolarHBondContact O-CA 3.33Å; D607-Q644 PolarHBondContact O-OE1 3.43Å; H608-Q644 VanDerWaalsContact CA-OE1 3.32Å; H608-Q644 VanDerWaalsContact N-OE1 3.16Å; H608-Q644 PolarHBondContact ND1-NE2 2.77Å; P614-Q644 WeakPolarHBondContact CB-O 3.32Å; M641-Q644 HydrophobicContact CB-CB 4.3Å; M641-Q644 HydrophobicContact CB-CG 4.26Å; M641-Q644 PolarHBondContact O-N 2.83Å; Q644-L673 HydrophobicContact CG-CD1 4.41Å
645D95.6Very high88.8Confident22 Ų2254.5 Ų54.512%0.11831%0.314CS..EExtended strand (participates in β ladder)trans-71134.6162.7-74.8-5.4000108.6V606 D607 S609 P614 R615 F647V606-D645 WeakPolarHBondContact CA-O 3.41Å; D607-D645 PolarHBondContact N-O 3.16Å; D607-D645 PolarHBondContact O-N 3.19Å; S609-D645 WeakPolarHBondContact CB-OD1 3.43Å; S609-D645 PolarHBondContact OG-OD1 3.44Å; P614-D645 WeakPolarHBondContact CA-OD1 3.25Å; R615-D645 HydrophobicContact CB-CB 4.37Å; R615-D645 PolarHBondContact N-OD1 2.91Å; R615-D645 CarbonylContact O-C 3.41Å; R615-D645 WeakPolarHBondContact O-CA 3.28Å; D645-F647 HydrophobicContact CB-CD2 4.47Å; D645-F647 HydrophobicContact CB-CE2 3.67Å; D645-F647 HydrophobicContact CB-CZ 4.21Å
646V96.6Very high88.5Confident0 Ų045.3 Ų45.30%028%0.281CS..EExtended strand (participates in β ladder)trans-126.4114.3-178.8-1770000109.4V606 R615 R616 V617 L626 L630 V648 M669V606-V646 HydrophobicContact CG1-CG2 4.47Å; V606-V646 HydrophobicContact CG2-CG1 4.42Å; V606-V646 HydrophobicContact CG2-CG2 4.37Å; R615-V646 PolarHBondContact O-N 3.37Å; R616-V646 CarbonylContact C-O 3.57Å; R616-V646 WeakPolarHBondContact CA-O 3.32Å; V617-V646 PolarHBondContact N-O 3Å; L626-V646 HydrophobicContact CD1-CG1 4.18Å; L626-V646 HydrophobicContact CD2-CG1 4.42Å; L630-V646 HydrophobicContact CD1-CG2 4.37Å; L630-V646 HydrophobicContact CD2-CG2 4.2Å; V646-V648 HydrophobicContact CG1-CG2 4.05Å; V646-M669 HydrophobicContact CG1-CG 4.34Å; V646-M669 HydrophobicContact CG1-SD 3.77Å
647F96.2Very high88.2Confident68 Ų6847.4 Ų47.430%0.29830%0.299SS..EExtended strand (participates in β ladder)trans-111.4129.6174.3-55.3-91.4000109.1A604 L605 R615 V617 D645A604-F647 CarbonylContact C-O 3.57Å; A604-F647 VanDerWaalsContact CA-O 3.28Å; A604-F647 WeakPolarHBondContact CA-O 3.33Å; L605-F647 HydrophobicContact CB-CB 4.3Å; L605-F647 HydrophobicContact CD2-CD2 4.32Å; L605-F647 HydrophobicContact CG-CD2 4.49Å; L605-F647 PolarHBondContact N-O 2.86Å; L605-F647 PolarHBondContact O-N 2.9Å; R615-F647 HydrophobicContact CB-CZ 4.24Å; V617-F647 HydrophobicContact CB-CD1 3.78Å; V617-F647 HydrophobicContact CB-CE1 4.31Å; V617-F647 HydrophobicContact CG2-CD1 3.84Å; V617-F647 HydrophobicContact CG2-CE1 3.84Å; V617-F647 CarbonylContact O-C 3.39Å; V617-F647 WeakPolarHBondContact O-CA 3.37Å; D645-F647 HydrophobicContact CB-CD2 4.47Å; D645-F647 HydrophobicContact CB-CE2 3.67Å; D645-F647 HydrophobicContact CB-CZ 4.21Å
648V95.9Very high88.2Confident4 Ų448.5 Ų48.52%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-126.2134-179.4179.10000109.1I602 Q603 V617 A618 V619 L621 L626 V646 L665I602-V648 HydrophobicContact CD1-CG1 4.05Å; I602-V648 HydrophobicContact CG1-CG1 4.06Å; Q603-V648 CarbonylContact O-C 3.49Å; Q603-V648 VanDerWaalsContact O-CA 3.29Å; Q603-V648 WeakPolarHBondContact O-CA 3.21Å; V617-V648 PolarHBondContact O-N 2.85Å; A618-V648 CarbonylContact C-O 3.57Å; A618-V648 WeakPolarHBondContact CA-O 3.39Å; A618-V648 HydrophobicContact CB-CB 4.47Å; V619-V648 PolarHBondContact N-O 2.83Å; L621-V648 HydrophobicContact CD1-CG1 3.71Å; L626-V648 HydrophobicContact CD1-CG2 3.94Å; L626-V648 HydrophobicContact CD2-CG2 4.14Å; V646-V648 HydrophobicContact CG1-CG2 4.05Å; V648-L665 HydrophobicContact CB-CD1 4.33Å; V648-L665 HydrophobicContact CG1-CD1 3.61Å; V648-L665 HydrophobicContact CG2-CD1 3.7Å
649N93.4Very high88.4Confident63 Ų6347.6 Ų47.634%0.33728%0.28SS..EExtended strand (participates in β ladder)trans-135.6127.6178.3-17848.7000110.7Q603Q603-N649 PolarHBondContact N-O 2.85Å; Q603-N649 PolarHBondContact O-N 2.89Å
650V90.4Very high88.6Confident2 Ų246.3 Ų46.31%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-87.3121.8167.2-175.30000108.9V600 I602 V619 L621 V654 V656V600-V650 HydrophobicContact CG1-CG1 3.37Å; I602-V650 HydrophobicContact CG1-CG2 4.5Å; V619-V650 PolarHBondContact O-N 2.97Å; L621-V650 HydrophobicContact CD1-CG2 3.43Å; L621-V650 VanDerWaalsContact CD1-CG2 3.43Å; L621-V650 HydrophobicContact CG-CG2 3.65Å; V650-V654 WeakPolarHBondContact CB-O 3.33Å; V650-V654 HydrophobicContact CG1-CB 3.95Å; V650-V654 WeakPolarHBondContact CG1-O 3.4Å; V650-V656 HydrophobicContact CG1-CG2 3.81Å; V650-V656 HydrophobicContact CG2-CG2 4.08Å
651V83.5Confident88.9Confident21 Ų2140.4 Ų40.413%0.12725%0.246CC..G310 helixtrans-67.7144.5-175.2-179.90000110.9E601 Q603 G653E601-V651 HydrophobicContact CB-CB 3.99Å; E601-V651 HydrophobicContact CB-CG2 3.81Å; E601-V651 HydrophobicContact CG-CG2 3.93Å; E601-V651 PolarHBondContact O-N 2.94Å; Q603-V651 HydrophobicContact CG-CG2 3.86Å; V651-G653 VanDerWaalsContact C-N 3.3Å; V651-G653 PolarHBondContact O-N 3Å
652G70.7Confident89.2Confident50 Ų5040.4 Ų40.452%0.51525%0.246SC..G310 helixtrans75.213.6177.800000114.9V654G652-V654 PolarHBondContact O-N 3.48Å
653G69.5Low89.6Confident65 Ų6537.6 Ų37.667%0.6722%0.223SC*.G310 helixtrans72.714.1175.400000114.2V651V651-G653 VanDerWaalsContact C-N 3.3Å; V651-G653 PolarHBondContact O-N 3Å
654V75.9Confident89.9Confident12 Ų1234.4 Ų34.47%0.07321%0.206CC..  trans-68133.2179-1770000109.8F575 V600 V650 G652 V656F575-V654 HydrophobicContact CD1-CG2 3.44Å; F575-V654 VanDerWaalsContact CD1-CG2 3.44Å; F575-V654 HydrophobicContact CE1-CG2 3.43Å; F575-V654 VanDerWaalsContact CE1-CG2 3.43Å; F575-V654 HydrophobicContact CG-CG2 4.22Å; F575-V654 HydrophobicContact CZ-CG2 4.18Å; V600-V654 HydrophobicContact CG1-CB 4.21Å; V600-V654 HydrophobicContact CG1-CG2 4.34Å; V600-V654 HydrophobicContact CG2-CB 4.49Å; V600-V654 HydrophobicContact CG2-CG1 4.29Å; V600-V654 HydrophobicContact CG2-CG2 4.18Å; V650-V654 WeakPolarHBondContact CB-O 3.33Å; V650-V654 HydrophobicContact CG1-CB 3.95Å; V650-V654 WeakPolarHBondContact CG1-O 3.4Å; G652-V654 PolarHBondContact O-N 3.48Å; V654-V656 HydrophobicContact CG1-CG2 4.21Å
655K83.4Confident90Very high166 Ų16633.3 Ų33.372%0.72220%0.201SC*.  trans-94112.6173.1-72.5-173.7179.8177.50110.1G620G620-K655 CarbonylContact O-C 3.56Å; G620-K655 WeakPolarHBondContact O-CA 3.31Å
656V88.6Confident90.1Very high8 Ų832.3 Ų32.35%0.04820%0.195CC..  trans-98111.3-176.1179.80000108.9M589 V591 G620 L621 V650 V654 E658 A661M589-V656 HydrophobicContact CE-CB 4.36Å; M589-V656 HydrophobicContact CE-CG1 4.06Å; M589-V656 HydrophobicContact CE-CG2 3.63Å; V591-V656 HydrophobicContact CG1-CG1 4.03Å; V591-V656 HydrophobicContact CG1-CG2 4.29Å; G620-V656 PolarHBondContact O-N 3.42Å; L621-V656 HydrophobicContact CD2-CB 3.74Å; L621-V656 HydrophobicContact CD2-CG1 3.91Å; L621-V656 HydrophobicContact CG-CB 4.29Å; V650-V656 HydrophobicContact CG1-CG2 3.81Å; V650-V656 HydrophobicContact CG2-CG2 4.08Å; V654-V656 HydrophobicContact CG1-CG2 4.21Å; V656-E658 HydrophobicContact CG1-CG 4.49Å; V656-A661 HydrophobicContact CG1-CB 3.52Å
657T87.3Confident90.1Very high118 Ų11832.3 Ų32.372%0.72420%0.195SC*.  trans-107.5-20.8-176.456.30000113.1R625R625-T657 PolarHBondContact NH2-O 3.44Å
658E90.6Very high90.1Very high40 Ų4029 Ų2919%0.18718%0.181CC..SBendtrans-80.2151.8-179.560.5167.6139.900113.2V591 W592 R625 V656 S660 R703V591-E658 WeakPolarHBondContact CA-OE1 3.45Å; V591-E658 VanDerWaalsContact CB-OE1 3.25Å; V591-E658 WeakPolarHBondContact CB-OE1 3.38Å; W592-E658 PolarHBondContact N-OE1 2.87Å; R625-E658 PolarHBondContact NH1-O 2.88Å; V656-E658 HydrophobicContact CG1-CG 4.49Å; E658-S660 VanDerWaalsContact C-N 3.26Å; E658-S660 WeakPolarHBondContact CG-OG 3.3Å; E658-S660 PolarHBondContact O-N 3.46Å; E658-S660 PolarHBondContact OE1-OG 2.9Å; E658-S660 WeakPolarHBondContact OE2-CB 3.46Å; E658-S660 PolarHBondContact OE2-OG 3.01Å; E658-R703 VanDerWaalsContact CD-NH1 3.34Å; E658-R703 IonicContact OE1-CZ 3.29Å; E658-R703 IonicContact OE1-NH1 3.33Å; E658-R703 PolarHBondContact OE1-NH1 3.2Å; E658-R703 IonicContact OE1-NH2 2.81Å; E658-R703 IonicContact OE2-CZ 2.7Å; E658-R703 IonicContact OE2-NH1 3.87Å; E658-R703 PolarHBondContact OE2-NH1 3.47Å; E658-R703 IonicContact OE2-NH2 2.68Å; E658-R703 PolarHBondContact OE2-NH2 2.75Å
659T93.9Very high90.2Very high47 Ų4728.9 Ų28.929%0.28818%0.18SC..G310 helixtrans-76.4-8.1-17849.50000113.9A661 D662 E687T659-A661 PolarHBondContact O-N 3.33Å; T659-A661 VanDerWaalsContact O-N 3.16Å; T659-D662 WeakPolarHBondContact O-CB 3.44Å; T659-D662 PolarHBondContact O-N 3.27Å; T659-E687 WeakPolarHBondContact CB-OE2 3.42Å; T659-E687 HydrophobicContact CG2-CG 4.47Å; T659-E687 WeakPolarHBondContact O-CA 3.42Å; T659-E687 PolarHBondContact OG1-OE2 3.31Å
660S95.1Very high90.3Very high1 Ų125.9 Ų25.91%0.00716%0.164CC..G310 helixtrans-66.1-17.8179.169.20000113.8E658 D662 F685 G686 R703E658-S660 VanDerWaalsContact C-N 3.26Å; E658-S660 WeakPolarHBondContact CG-OG 3.3Å; E658-S660 PolarHBondContact O-N 3.46Å; E658-S660 PolarHBondContact OE1-OG 2.9Å; E658-S660 WeakPolarHBondContact OE2-CB 3.46Å; E658-S660 PolarHBondContact OE2-OG 3.01Å; S660-D662 VanDerWaalsContact C-N 3.31Å; S660-F685 CarbonylContact O-C 3.58Å; S660-F685 VanDerWaalsContact O-CA 3.24Å; S660-F685 WeakPolarHBondContact O-CA 3.24Å; S660-F685 WeakPolarHBondContact O-CB 3.24Å; S660-G686 PolarHBondContact O-N 3.08Å; S660-R703 PolarHBondContact OG-NH1 3.5Å; S660-R703 VanDerWaalsContact OG-NH1 3.11Å
661A95.6Very high90.6Very high0 Ų025.8 Ų25.80%016%0.163CC..G310 helixtrans-76.5-15.317800000114M589 V656 T659 L663 A664 L665M589-A661 HydrophobicContact CE-CB 4.12Å; M589-A661 HydrophobicContact SD-CB 3.3Å; M589-A661 WeakPolarHBondContact SD-CB 3.42Å; V656-A661 HydrophobicContact CG1-CB 3.52Å; T659-A661 PolarHBondContact O-N 3.33Å; T659-A661 VanDerWaalsContact O-N 3.16Å; A661-L663 PolarHBondContact O-N 3.16Å; A661-A664 PolarHBondContact O-N 2.68Å; A661-A664 VanDerWaalsContact O-N 3.15Å; A661-L665 PolarHBondContact O-N 3.29Å
662D96.8Very high91.3Very high10 Ų1025.4 Ų25.45%0.05316%0.162CC..Hα-helixtrans-60-46.8-167.9-66.2-2.8000111.9R625 L629 T659 S660 L665 L666 V688R625-D662 WeakPolarHBondContact CD-OD1 3.4Å; R625-D662 IonicContact NH1-OD1 3.31Å; R625-D662 PolarHBondContact NH1-OD1 2.64Å; L629-D662 HydrophobicContact CD1-CB 4.11Å; L629-D662 HydrophobicContact CD2-CB 3.8Å; T659-D662 WeakPolarHBondContact O-CB 3.44Å; T659-D662 PolarHBondContact O-N 3.27Å; S660-D662 VanDerWaalsContact C-N 3.31Å; D662-L665 PolarHBondContact O-N 3.46Å; D662-L666 WeakPolarHBondContact O-CG 3.43Å; D662-L666 PolarHBondContact O-N 3.2Å; D662-V688 HydrophobicContact CB-CB 4Å; D662-V688 HydrophobicContact CB-CG2 3.7Å
663L97.5Very high92.4Very high0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-66.1-38.8178.3-175.158.4000112.5A661 L665 L666 L667 V684 G686 V688 I694 I716 V735 L738 A741A661-L663 PolarHBondContact O-N 3.16Å; L663-L665 VanDerWaalsContact C-N 3.34Å; L663-L666 PolarHBondContact O-N 3.37Å; L663-L667 HydrophobicContact CD1-CG 4.41Å; L663-L667 WeakPolarHBondContact O-CG 3.21Å; L663-L667 PolarHBondContact O-N 3.2Å; L663-V684 HydrophobicContact CB-CG1 4.15Å; L663-V684 HydrophobicContact CD2-CG1 4.02Å; L663-V684 HydrophobicContact CG-CG1 3.7Å; L663-G686 WeakPolarHBondContact CB-O 3.32Å; L663-G686 PolarHBondContact N-O 2.7Å; L663-V688 HydrophobicContact CB-CG2 4.24Å; L663-I694 HydrophobicContact CD1-CD1 3.97Å; L663-I694 HydrophobicContact CD2-CD1 4.49Å; L663-I694 HydrophobicContact CD2-CG2 4.15Å; L663-I716 HydrophobicContact CD2-CG2 3.89Å; L663-V735 HydrophobicContact CD2-CG2 3.95Å; L663-L738 HydrophobicContact CD1-CD1 4.21Å; L663-A741 HydrophobicContact CD1-CB 3.77Å; L663-A741 HydrophobicContact CD2-CB 4.4Å
664A96.8Very high93.6Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-64.2-41.5177.800000111.3M589 I602 A661 L667 A668 V684M589-A664 HydrophobicContact CB-CB 3.87Å; M589-A664 HydrophobicContact CG-CB 4.5Å; M589-A664 HydrophobicContact SD-CB 4.31Å; I602-A664 HydrophobicContact CG2-CB 4.23Å; A661-A664 PolarHBondContact O-N 2.68Å; A661-A664 VanDerWaalsContact O-N 3.15Å; A664-L667 PolarHBondContact O-N 2.96Å; A664-A668 WeakPolarHBondContact O-CB 3.17Å; A664-A668 PolarHBondContact O-N 2.83Å; A664-V684 HydrophobicContact CB-CB 3.93Å; A664-V684 HydrophobicContact CB-CG1 4.11Å
665L96.6Very high94.5Very high3 Ų332.4 Ų32.42%0.01616%0.164CC..Hα-helixtrans-62.1-46174.117550.3000111.8I602 L621 L626 L629 V648 A661 D662 L663 L667 A668 M669I602-L665 HydrophobicContact CD1-CB 3.68Å; I602-L665 HydrophobicContact CD1-CD1 3.73Å; I602-L665 HydrophobicContact CD1-CD2 4.43Å; I602-L665 HydrophobicContact CD1-CG 4.12Å; I602-L665 HydrophobicContact CG1-CD1 4.49Å; L621-L665 HydrophobicContact CD1-CD2 4.41Å; L626-L665 HydrophobicContact CD1-CD2 4.34Å; L629-L665 HydrophobicContact CD1-CB 4.49Å; L629-L665 HydrophobicContact CD1-CD2 3.67Å; L629-L665 HydrophobicContact CD1-CG 4.28Å; V648-L665 HydrophobicContact CB-CD1 4.33Å; V648-L665 HydrophobicContact CG1-CD1 3.61Å; V648-L665 HydrophobicContact CG2-CD1 3.7Å; A661-L665 PolarHBondContact O-N 3.29Å; D662-L665 PolarHBondContact O-N 3.46Å; L663-L665 VanDerWaalsContact C-N 3.34Å; L665-L667 PolarHBondContact O-N 3.39Å; L665-A668 PolarHBondContact O-N 2.72Å; L665-M669 HydrophobicContact CD1-CE 4.41Å; L665-M669 HydrophobicContact CD1-CG 4.05Å; L665-M669 HydrophobicContact CD1-SD 4.24Å; L665-M669 HydrophobicContact CG-CE 4.17Å; L665-M669 WeakPolarHBondContact O-CG 3.15Å; L665-M669 PolarHBondContact O-N 2.66Å
666L97.2Very high95Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-58.4-47.6176.8-72.8-175000111.7L629 L633 D662 L663 A668 M669 V670 V688 L738L629-L666 HydrophobicContact CB-CD2 3.83Å; L629-L666 HydrophobicContact CD2-CD1 4.43Å; L629-L666 HydrophobicContact CD2-CG 4.4Å; L633-L666 HydrophobicContact CB-CD2 3.88Å; L633-L666 HydrophobicContact CD1-CD2 4.36Å; L633-L666 HydrophobicContact CD2-CD2 4.22Å; L633-L666 HydrophobicContact CG-CD2 4.38Å; D662-L666 WeakPolarHBondContact O-CG 3.43Å; D662-L666 PolarHBondContact O-N 3.2Å; L663-L666 PolarHBondContact O-N 3.37Å; L666-A668 VanDerWaalsContact C-N 3.35Å; L666-A668 PolarHBondContact O-N 2.73Å; L666-M669 HydrophobicContact CD2-CE 3.49Å; L666-M669 VanDerWaalsContact CD2-CE 3.49Å; L666-M669 PolarHBondContact O-N 2.96Å; L666-V670 WeakPolarHBondContact O-CG2 3.48Å; L666-V670 PolarHBondContact O-N 3.41Å; L666-V688 HydrophobicContact CD1-CB 4.38Å; L666-V688 HydrophobicContact CD1-CG1 4.01Å; L666-V688 HydrophobicContact CD1-CG2 3.76Å; L666-L738 HydrophobicContact CB-CD1 4.49Å; L666-L738 HydrophobicContact CD1-CD1 3.61Å; L666-L738 HydrophobicContact CD1-CD2 3.94Å; L666-L738 HydrophobicContact CD1-CG 4.42Å
667L97.3Very high95.3Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-68-33.2179.7-64.9-171.2000112.7L663 A664 L665 V670 S671 L678 V684 I716 L742 F745L663-L667 HydrophobicContact CD1-CG 4.41Å; L663-L667 WeakPolarHBondContact O-CG 3.21Å; L663-L667 PolarHBondContact O-N 3.2Å; A664-L667 PolarHBondContact O-N 2.96Å; L665-L667 PolarHBondContact O-N 3.39Å; L667-V670 PolarHBondContact O-N 3.37Å; L667-S671 WeakPolarHBondContact O-CB 3.36Å; L667-S671 PolarHBondContact O-N 3.45Å; L667-L678 HydrophobicContact CB-CD1 4.02Å; L667-V684 HydrophobicContact CD1-CG1 3.87Å; L667-V684 HydrophobicContact CD1-CG2 4.07Å; L667-I716 HydrophobicContact CD1-CD1 3.69Å; L667-L742 HydrophobicContact CD2-CD2 4.21Å; L667-F745 HydrophobicContact CD2-CB 4.23Å; L667-F745 HydrophobicContact CD2-CD2 4.37Å
668A96.4Very high95.6Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-61.6-46.9170.600000111.4G585 I602 A604 A664 L665 L666 V670 S671 S672G585-A668 WeakPolarHBondContact CA-O 3.33Å; I602-A668 HydrophobicContact CG2-CB 4.34Å; A604-A668 HydrophobicContact CB-CB 3.94Å; A664-A668 WeakPolarHBondContact O-CB 3.17Å; A664-A668 PolarHBondContact O-N 2.83Å; L665-A668 PolarHBondContact O-N 2.72Å; L666-A668 VanDerWaalsContact C-N 3.35Å; L666-A668 PolarHBondContact O-N 2.73Å; A668-V670 VanDerWaalsContact C-N 3.35Å; A668-V670 PolarHBondContact O-N 3.48Å; A668-S671 WeakPolarHBondContact O-CB 3.47Å; A668-S671 PolarHBondContact O-N 2.96Å; A668-S672 PolarHBondContact O-N 3.39Å
669M96.9Very high95.7Very high0 Ų024.9 Ų24.90%013%0.126CC..Hα-helixtrans-63.6-39.9177.4-68.5-173.4-61.700112.4A604 V606 L626 L630 L633 M641 V646 L665 L666 S672 L673A604-M669 HydrophobicContact CB-CB 4.38Å; A604-M669 HydrophobicContact CB-CG 3.74Å; V606-M669 HydrophobicContact CG2-CB 4.13Å; V606-M669 HydrophobicContact CG2-CG 4.39Å; L626-M669 HydrophobicContact CD1-CE 4.42Å; L626-M669 HydrophobicContact CD1-SD 3.7Å; L630-M669 HydrophobicContact CD2-CE 4.09Å; L630-M669 HydrophobicContact CD2-SD 3.71Å; L630-M669 HydrophobicContact CG-SD 4.32Å; L633-M669 HydrophobicContact CD2-CE 4.41Å; M641-M669 HydrophobicContact CE-CB 3.96Å; M641-M669 HydrophobicContact SD-CB 4.35Å; V646-M669 HydrophobicContact CG1-CG 4.34Å; V646-M669 HydrophobicContact CG1-SD 3.77Å; L665-M669 HydrophobicContact CD1-CE 4.41Å; L665-M669 HydrophobicContact CD1-CG 4.05Å; L665-M669 HydrophobicContact CD1-SD 4.24Å; L665-M669 HydrophobicContact CG-CE 4.17Å; L665-M669 WeakPolarHBondContact O-CG 3.15Å; L665-M669 PolarHBondContact O-N 2.66Å; L666-M669 HydrophobicContact CD2-CE 3.49Å; L666-M669 VanDerWaalsContact CD2-CE 3.49Å; L666-M669 PolarHBondContact O-N 2.96Å; M669-S672 PolarHBondContact O-N 2.53Å; M669-L673 WeakPolarHBondContact O-CB 3.35Å; M669-L673 PolarHBondContact O-N 3.26Å
670V96.9Very high95.4Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-65.7-41.9175.9174.50000111L633 L639 L666 L667 A668 S672 L673 R674 L742 F745L633-V670 HydrophobicContact CD1-CG2 3.93Å; L633-V670 HydrophobicContact CD2-CG2 4.12Å; L639-V670 HydrophobicContact CD1-CB 4.47Å; L639-V670 HydrophobicContact CD1-CG1 4.1Å; L639-V670 HydrophobicContact CD1-CG2 3.68Å; L666-V670 WeakPolarHBondContact O-CG2 3.48Å; L666-V670 PolarHBondContact O-N 3.41Å; L667-V670 PolarHBondContact O-N 3.37Å; A668-V670 VanDerWaalsContact C-N 3.35Å; A668-V670 PolarHBondContact O-N 3.48Å; V670-S672 VanDerWaalsContact C-N 3.33Å; V670-S672 PolarHBondContact O-N 3.5Å; V670-L673 PolarHBondContact O-N 3.42Å; V670-R674 HydrophobicContact CG1-CG 4.41Å; V670-R674 WeakPolarHBondContact O-CB 3.49Å; V670-R674 WeakPolarHBondContact O-CG 3.27Å; V670-R674 PolarHBondContact O-N 3.11Å; V670-L742 HydrophobicContact CB-CD2 4.42Å; V670-L742 HydrophobicContact CG1-CD2 4.03Å; V670-L742 HydrophobicContact CG2-CD2 3.82Å; V670-F745 HydrophobicContact CG1-CD1 4.19Å; V670-F745 HydrophobicContact CG1-CE1 3.95Å; V670-F745 HydrophobicContact CG1-CE2 4.44Å; V670-F745 HydrophobicContact CG1-CZ 4.1Å
671S96.9Very high95.2Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-57.5-45.8175177.80000111.4G585 L667 A668 D675 R676G585-S671 PolarHBondContact N-OG 2.81Å; L667-S671 WeakPolarHBondContact O-CB 3.36Å; L667-S671 PolarHBondContact O-N 3.45Å; A668-S671 WeakPolarHBondContact O-CB 3.47Å; A668-S671 PolarHBondContact O-N 2.96Å; S671-D675 WeakPolarHBondContact O-CA 3.36Å; S671-D675 PolarHBondContact O-N 2.79Å; S671-D675 VanDerWaalsContact O-N 3.08Å; S671-R676 WeakPolarHBondContact CA-O 3.45Å; S671-R676 WeakPolarHBondContact CB-O 3.47Å; S671-R676 PolarHBondContact O-N 3.02Å; S671-R676 PolarHBondContact OG-O 3.36Å
672S96.7Very high95.2Very high13 Ų1329.2 Ų29.29%0.09114%0.144CC..Hα-helixtrans-67.2-48.3177.6-177.40000112.3A604 L605 V606 A668 M669 V670 R674 D675A604-S672 WeakPolarHBondContact O-CB 3.43Å; A604-S672 PolarHBondContact O-OG 3.13Å; L605-S672 WeakPolarHBondContact CA-OG 3.4Å; V606-S672 PolarHBondContact N-OG 3.19Å; A668-S672 PolarHBondContact O-N 3.39Å; M669-S672 PolarHBondContact O-N 2.53Å; V670-S672 VanDerWaalsContact C-N 3.33Å; V670-S672 PolarHBondContact O-N 3.5Å; S672-R674 VanDerWaalsContact C-N 3.29Å; S672-R674 PolarHBondContact O-N 2.99Å; S672-D675 PolarHBondContact O-N 3.25Å; S672-D675 VanDerWaalsContact O-N 3.1Å
673L95.3Very high95.2Very high56 Ų5628.8 Ų28.829%0.29314%0.142SC..Hα-helixtrans-61-37-179.6177.568.6000112.9V606 L639 M641 Q644 M669 V670 D675V606-L673 HydrophobicContact CB-CB 4.35Å; V606-L673 HydrophobicContact CG1-CB 4.15Å; V606-L673 HydrophobicContact CG1-CD1 3.94Å; L639-L673 HydrophobicContact CD2-CD2 4.37Å; M641-L673 HydrophobicContact CE-CB 3.79Å; M641-L673 HydrophobicContact CE-CD2 3.48Å; M641-L673 VanDerWaalsContact CE-CD2 3.48Å; M641-L673 HydrophobicContact CE-CG 4.2Å; M641-L673 HydrophobicContact CG-CD2 4.04Å; Q644-L673 HydrophobicContact CG-CD1 4.41Å; M669-L673 WeakPolarHBondContact O-CB 3.35Å; M669-L673 PolarHBondContact O-N 3.26Å; V670-L673 PolarHBondContact O-N 3.42Å; L673-D675 VanDerWaalsContact C-N 3.34Å
674R94.6Very high95.2Very high94 Ų9428.8 Ų28.836%0.35514%0.142SC..THydrogen-bonded Turntrans-89.3-1.8179.9-66.4-175.9175.7-174.7-0.4113.2V670 S672 R676 D746V670-R674 HydrophobicContact CG1-CG 4.41Å; V670-R674 WeakPolarHBondContact O-CB 3.49Å; V670-R674 WeakPolarHBondContact O-CG 3.27Å; V670-R674 PolarHBondContact O-N 3.11Å; S672-R674 VanDerWaalsContact C-N 3.29Å; S672-R674 PolarHBondContact O-N 2.99Å; R674-R676 HydrophobicContact CB-CB 4.33Å; R674-R676 PolarHBondContact O-N 3.34Å; R674-D746 IonicContact CZ-OD1 3.78Å; R674-D746 IonicContact CZ-OD2 3.91Å; R674-D746 IonicContact NH1-OD1 2.74Å; R674-D746 PolarHBondContact NH1-OD1 3.49Å; R674-D746 IonicContact NH1-OD2 2.66Å; R674-D746 PolarHBondContact NH1-OD2 3.12Å
675D94Very high95.2Very high124 Ų12428.8 Ų28.866%0.66314%0.142SC*.THydrogen-bonded Turntrans44.642.9-170.2-163.529.8000112.9S584 S671 S672 L673S584-D675 WeakPolarHBondContact CB-OD1 3.48Å; S584-D675 PolarHBondContact OG-OD1 2.97Å; S671-D675 WeakPolarHBondContact O-CA 3.36Å; S671-D675 PolarHBondContact O-N 2.79Å; S671-D675 VanDerWaalsContact O-N 3.08Å; S672-D675 PolarHBondContact O-N 3.25Å; S672-D675 VanDerWaalsContact O-N 3.1Å; L673-D675 VanDerWaalsContact C-N 3.34Å
676R94.6Very high95.2Very high88 Ų8828.6 Ų28.633%0.33214%0.141SC..  trans-122.1110.2-178.7-176.8-179.4177.6172.92.6109.1S671 R674 F745 D746 L748S671-R676 WeakPolarHBondContact CA-O 3.45Å; S671-R676 WeakPolarHBondContact CB-O 3.47Å; S671-R676 PolarHBondContact O-N 3.02Å; S671-R676 PolarHBondContact OG-O 3.36Å; R674-R676 HydrophobicContact CB-CB 4.33Å; R674-R676 PolarHBondContact O-N 3.34Å; R676-F745 HydrophobicContact CB-CZ 4.16Å; R676-F745 HydrophobicContact CG-CZ 4.36Å; R676-D746 VanDerWaalsContact CZ-O 3.27Å; R676-D746 PolarHBondContact NH1-O 2.89Å; R676-D746 IonicContact NH1-OD1 3.56Å; R676-D746 PolarHBondContact NH2-O 3.35Å; R676-L748 PolarHBondContact NE-OXT 2.95Å; R676-L748 PolarHBondContact NH2-OXT 3.34Å
677P93.3Very high95.2Very high51 Ų5130.9 Ų30.933%0.33115%0.151SC..PPolyproline II helixtrans-68.4142.4-177.426.6-33.4000112.4V582 T583V582-P677 HydrophobicContact CG1-CB 3.44Å; V582-P677 VanDerWaalsContact CG1-CB 3.44Å; V582-P677 HydrophobicContact CG1-CG 3.78Å; T583-P677 WeakPolarHBondContact O-CB 3.44Å
678L94.1Very high95.3Very high12 Ų1231.5 Ų31.56%0.06316%0.155CC..PPolyproline II helixtrans-74.3148.6166.9-76.3170.8000110.2L667 Q680 L682 F745L667-L678 HydrophobicContact CB-CD1 4.02Å; L678-Q680 PolarHBondContact O-N 3.34Å; L678-L682 HydrophobicContact CB-CD2 4.36Å; L678-L682 HydrophobicContact CD2-CD2 3.67Å; L678-L682 HydrophobicContact CG-CD2 4.4Å; L678-F745 HydrophobicContact CD2-CD2 3.38Å; L678-F745 HydrophobicContact CD2-CE2 3.56Å; L678-F745 HydrophobicContact CG-CD2 4.22Å; L678-F745 HydrophobicContact CG-CE2 3.95Å
679P92.3Very high95.3Very high23 Ų2331.9 Ų31.915%0.14916%0.159CC..PPolyproline II helixtrans-62137.2175.2-18.729000112.8D681 L682 L748P679-D681 WeakPolarHBondContact CB-OD1 3.34Å; P679-D681 PolarHBondContact O-N 3.02Å; P679-D681 VanDerWaalsContact O-N 3.14Å; P679-L682 HydrophobicContact CB-CB 4.35Å; P679-L682 WeakPolarHBondContact O-CB 3.26Å; P679-L682 PolarHBondContact O-N 3.17Å; P679-L748 HydrophobicContact CG-CB 4.29Å
680Q88.5Confident95.2Very high102 Ų10238 Ų3848%0.47719%0.191SC..THydrogen-bonded Turntrans-65.7-18.2-176.6-68.8-173.2-14.100114.7V582 L678 F712V582-Q680 HydrophobicContact CG2-CG 4.27Å; L678-Q680 PolarHBondContact O-N 3.34Å; Q680-F712 WeakPolarHBondContact O-CE1 3.42Å
681D91.8Very high95.1Very high35 Ų3541.1 Ų41.119%0.18722%0.217CC..THydrogen-bonded Turntrans-97.713.6177.168-14.7000112.8P679 F712 R713 R714P679-D681 WeakPolarHBondContact CB-OD1 3.34Å; P679-D681 PolarHBondContact O-N 3.02Å; P679-D681 VanDerWaalsContact O-N 3.14Å; D681-F712 WeakPolarHBondContact O-CD1 3.44Å; D681-R713 HydrophobicContact CB-CB 4.39Å; D681-R713 HydrophobicContact CB-CG 4.44Å; D681-R713 PolarHBondContact O-N 2.78Å; D681-R713 WeakPolarHBondContact OD2-CB 3.47Å; D681-R714 PolarHBondContact O-N 3.12Å; D681-R714 IonicContact OD1-CZ 3.63Å; D681-R714 IonicContact OD1-NE 2.94Å; D681-R714 PolarHBondContact OD1-NE 3.31Å; D681-R714 IonicContact OD1-NH2 3.36Å; D681-R714 PolarHBondContact OD1-NH2 3.01Å; D681-R714 IonicContact OD2-CZ 2.7Å; D681-R714 IonicContact OD2-NE 3Å; D681-R714 IonicContact OD2-NH2 3.29Å; D681-R714 PolarHBondContact OD2-NH2 3.4Å
682L95Very high95.1Very high3 Ų341.2 Ų41.22%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-94.1130.3174.117766.9000111.2L678 P679 V684 F712 R714 I716 L748L678-L682 HydrophobicContact CB-CD2 4.36Å; L678-L682 HydrophobicContact CD2-CD2 3.67Å; L678-L682 HydrophobicContact CG-CD2 4.4Å; P679-L682 HydrophobicContact CB-CB 4.35Å; P679-L682 WeakPolarHBondContact O-CB 3.26Å; P679-L682 PolarHBondContact O-N 3.17Å; L682-V684 HydrophobicContact CD1-CG2 4.42Å; L682-V684 HydrophobicContact CD2-CG2 3.9Å; L682-V684 HydrophobicContact CG-CG2 3.89Å; L682-F712 WeakPolarHBondContact O-CE1 3.39Å; L682-R714 WeakPolarHBondContact CA-O 3.36Å; L682-R714 HydrophobicContact CB-CB 4.35Å; L682-R714 HydrophobicContact CD1-CB 3.77Å; L682-I716 HydrophobicContact CD1-CD1 4.11Å; L682-I716 HydrophobicContact CD1-CG1 3.92Å; L682-I716 HydrophobicContact CD2-CD1 3.99Å; L682-L748 HydrophobicContact CD1-CD1 4.34Å; L682-L748 HydrophobicContact CD2-CD1 4.04Å
683V95.9Very high95.1Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-111.1143.1166.273.20000110.7V588 V590 A707 F712 R714 A715 I716 M730V588-V683 HydrophobicContact CG1-CG2 4.4Å; V588-V683 CarbonylContact O-C 3.52Å; V588-V683 WeakPolarHBondContact O-CA 3.3Å; V590-V683 HydrophobicContact CG2-CG2 3.63Å; V683-A707 HydrophobicContact CB-CB 4.15Å; V683-A707 HydrophobicContact CG1-CB 3.73Å; V683-A707 HydrophobicContact CG2-CB 4.26Å; V683-F712 HydrophobicContact CB-CD1 4Å; V683-F712 HydrophobicContact CB-CG 4.48Å; V683-R714 PolarHBondContact N-O 2.98Å; V683-A715 HydrophobicContact CG1-CB 3.66Å; V683-A715 CarbonylContact O-C 3.59Å; V683-A715 WeakPolarHBondContact O-CA 3.38Å; V683-I716 PolarHBondContact O-N 3.22Å; V683-M730 HydrophobicContact CG1-CE 3.9Å
684V97.7Very high95.2Very high0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-130.8134.8-177.5-173.40000109.5V588 M589 L663 A664 L667 L682 I716V588-V684 PolarHBondContact O-N 3.1Å; M589-V684 VanDerWaalsContact CA-O 3.3Å; M589-V684 WeakPolarHBondContact CA-O 3.18Å; M589-V684 WeakPolarHBondContact CB-O 3.32Å; L663-V684 HydrophobicContact CB-CG1 4.15Å; L663-V684 HydrophobicContact CD2-CG1 4.02Å; L663-V684 HydrophobicContact CG-CG1 3.7Å; A664-V684 HydrophobicContact CB-CB 3.93Å; A664-V684 HydrophobicContact CB-CG1 4.11Å; L667-V684 HydrophobicContact CD1-CG1 3.87Å; L667-V684 HydrophobicContact CD1-CG2 4.07Å; L682-V684 HydrophobicContact CD1-CG2 4.42Å; L682-V684 HydrophobicContact CD2-CG2 3.9Å; L682-V684 HydrophobicContact CG-CG2 3.89Å; V684-I716 WeakPolarHBondContact CA-O 3.46Å; V684-I716 HydrophobicContact CG1-CB 4.27Å; V684-I716 HydrophobicContact CG1-CG2 4.47Å; V684-I716 HydrophobicContact CG2-CB 4.32Å; V684-I716 HydrophobicContact CG2-CD1 4.46Å
685F97.5Very high95.4Very high0 Ų042.8 Ų42.80%022%0.221CC..  trans-153.1157.6165.161.6-100.4000110.9S660 V697 G700 R703 I704 I716 V717 P718 N721S660-F685 CarbonylContact O-C 3.58Å; S660-F685 VanDerWaalsContact O-CA 3.24Å; S660-F685 WeakPolarHBondContact O-CA 3.24Å; S660-F685 WeakPolarHBondContact O-CB 3.24Å; F685-V697 HydrophobicContact CD2-CG2 3.34Å; F685-V697 HydrophobicContact CE2-CG2 3.51Å; F685-V697 HydrophobicContact CG-CG2 4.39Å; F685-G700 WeakPolarHBondContact CZ-O 3.38Å; F685-R703 HydrophobicContact CD1-CB 4.25Å; F685-R703 HydrophobicContact CE1-CB 3.76Å; F685-R703 HydrophobicContact CZ-CB 4.13Å; F685-I704 HydrophobicContact CE1-CG1 3.81Å; F685-I704 HydrophobicContact CZ-CD1 4.07Å; F685-I704 HydrophobicContact CZ-CG1 3.75Å; F685-I716 PolarHBondContact N-O 2.87Å; F685-I716 VanDerWaalsContact N-O 3.12Å; F685-V717 HydrophobicContact CD1-CG1 3.97Å; F685-V717 HydrophobicContact CD2-CB 4.42Å; F685-V717 HydrophobicContact CD2-CG1 4.36Å; F685-V717 HydrophobicContact CE1-CB 4.29Å; F685-V717 HydrophobicContact CE1-CG1 3.36Å; F685-V717 HydrophobicContact CE2-CB 3.82Å; F685-V717 HydrophobicContact CE2-CG1 3.82Å; F685-V717 HydrophobicContact CG-CG1 4.44Å; F685-V717 HydrophobicContact CZ-CB 3.75Å; F685-V717 HydrophobicContact CZ-CG1 3.29Å; F685-P718 WeakPolarHBondContact O-CD 3.43Å; F685-N721 HydrophobicContact CE2-CB 4.13Å
686G97.3Very high95.5Very high0 Ų040.5 Ų40.50%021%0.213CC..  trans158.1140176.200000111.3S660 L663S660-G686 PolarHBondContact O-N 3.08Å; L663-G686 WeakPolarHBondContact CB-O 3.32Å; L663-G686 PolarHBondContact N-O 2.7Å
687E97.2Very high95.6Very high48 Ų4836.6 Ų36.622%0.22420%0.199CC..EExtended strand (participates in β ladder)trans-79.7133.7172.6168.9178.4134.700109.3T659 I694 R695 V697T659-E687 WeakPolarHBondContact CB-OE2 3.42Å; T659-E687 HydrophobicContact CG2-CG 4.47Å; T659-E687 WeakPolarHBondContact O-CA 3.42Å; T659-E687 PolarHBondContact OG1-OE2 3.31Å; E687-I694 CarbonylContact O-C 3.47Å; E687-I694 WeakPolarHBondContact O-CA 3.36Å; E687-R695 HydrophobicContact CB-CB 4Å; E687-R695 HydrophobicContact CG-CB 4.08Å; E687-R695 PolarHBondContact N-O 2.86Å; E687-R695 PolarHBondContact O-N 2.93Å; E687-R695 VanDerWaalsContact OE1-CD 3.27Å; E687-R695 WeakPolarHBondContact OE1-CD 3.31Å; E687-R695 IonicContact OE1-CZ 2.87Å; E687-R695 IonicContact OE1-NE 3.07Å; E687-R695 PolarHBondContact OE1-NE 2.68Å; E687-V697 HydrophobicContact CB-CG1 4.39Å
688V97.5Very high95.6Very high13 Ų1338.7 Ų38.78%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-103.1113.8-178.7-179.30000108.9L629 V632 D662 L663 L666 I694L629-V688 HydrophobicContact CD2-CB 3.9Å; L629-V688 HydrophobicContact CD2-CG1 4.31Å; L629-V688 HydrophobicContact CD2-CG2 4.36Å; V632-V688 HydrophobicContact CB-CG1 4.5Å; V632-V688 HydrophobicContact CG1-CG1 3.7Å; D662-V688 HydrophobicContact CB-CB 4Å; D662-V688 HydrophobicContact CB-CG2 3.7Å; L663-V688 HydrophobicContact CB-CG2 4.24Å; L666-V688 HydrophobicContact CD1-CB 4.38Å; L666-V688 HydrophobicContact CD1-CG1 4.01Å; L666-V688 HydrophobicContact CD1-CG2 3.76Å; V688-I694 HydrophobicContact CG2-CD1 3.93Å
689G96.6Very high95.4Very high7 Ų740.8 Ų40.87%0.07223%0.228CC..  trans-75.1158173.700000112.5A691 G692 E693G689-A691 PolarHBondContact O-N 2.91Å; G689-A691 VanDerWaalsContact O-N 3.15Å; G689-G692 PolarHBondContact O-N 2.6Å; G689-E693 PolarHBondContact N-O 2.67Å
690L95.9Very high95.4Very high128 Ų12839.8 Ų39.867%0.6722%0.223SC*.THydrogen-bonded Turntrans-63.3-20.4-178.1-64.7179.7000113.7I628 V632 H636 G692I628-L690 HydrophobicContact CG2-CD2 3.43Å; I628-L690 VanDerWaalsContact CG2-CD2 3.43Å; V632-L690 HydrophobicContact CG2-CD2 4.11Å; H636-L690 PolarHBondContact CD2-O 3.09Å; H636-L690 PolarHBondContact NE2-O 2.75Å; L690-G692 VanDerWaalsContact C-N 3.31Å
691A95.4Very high95.6Very high67 Ų6740 Ų4055%0.55422%0.223SC*.THydrogen-bonded Turntrans-92.210.2175.500000112.9H636 G689 E693H636-A691 VanDerWaalsContact CE1-C 3.45Å; H636-A691 PolarHBondContact CE1-O 2.86Å; H636-A691 PolarHBondContact ND1-O 2.87Å; G689-A691 PolarHBondContact O-N 2.91Å; G689-A691 VanDerWaalsContact O-N 3.15Å; A691-E693 VanDerWaalsContact C-N 3.34Å; A691-E693 WeakPolarHBondContact CA-OE2 3.14Å; A691-E693 VanDerWaalsContact CB-OE2 3.28Å; A691-E693 WeakPolarHBondContact CB-OE2 3.4Å; A691-E693 PolarHBondContact N-OE2 3.47Å; A691-E693 VanDerWaalsContact N-OE2 3.15Å
692G95.4Very high95.6Very high2 Ų243 Ų432%0.02124%0.236CC..SBendtrans79.811.2179.500000114.2G689 L690 K737 L738G689-G692 PolarHBondContact O-N 2.6Å; L690-G692 VanDerWaalsContact C-N 3.31Å; G692-K737 CarbonylContact O-C 3.51Å; G692-K737 VanDerWaalsContact O-CA 3.31Å; G692-K737 WeakPolarHBondContact O-CA 3.25Å; G692-L738 PolarHBondContact O-N 3.47Å
693E97.5Very high95.5Very high65 Ų6543 Ų4330%0.30424%0.236SC..BIsolated β-bridgetrans-77.1144.3173.177.7-77.5-167.500111.9G689 A691 R695G689-E693 PolarHBondContact N-O 2.67Å; A691-E693 VanDerWaalsContact C-N 3.34Å; A691-E693 WeakPolarHBondContact CA-OE2 3.14Å; A691-E693 VanDerWaalsContact CB-OE2 3.28Å; A691-E693 WeakPolarHBondContact CB-OE2 3.4Å; A691-E693 PolarHBondContact N-OE2 3.47Å; A691-E693 VanDerWaalsContact N-OE2 3.15Å; E693-R695 HydrophobicContact CG-CG 3.92Å; E693-R695 IonicContact OE1-NH1 3.91Å
694I98.1Very high95.5Very high12 Ų1243 Ų436%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-98110.3175.6-52-55.6000108.9L663 E687 V688 P718 V735 K736 L738L663-I694 HydrophobicContact CD1-CD1 3.97Å; L663-I694 HydrophobicContact CD2-CD1 4.49Å; L663-I694 HydrophobicContact CD2-CG2 4.15Å; E687-I694 CarbonylContact O-C 3.47Å; E687-I694 WeakPolarHBondContact O-CA 3.36Å; V688-I694 HydrophobicContact CG2-CD1 3.93Å; I694-P718 HydrophobicContact CG2-CB 3.96Å; I694-P718 HydrophobicContact CG2-CG 3.87Å; I694-V735 HydrophobicContact CB-CG2 4.23Å; I694-V735 HydrophobicContact CG1-CG2 4.02Å; I694-V735 HydrophobicContact CG2-CG2 4.03Å; I694-K736 PolarHBondContact N-O 3.34Å; I694-L738 HydrophobicContact CD1-CB 4.5Å
695R97.3Very high95.2Very high118 Ų11845.5 Ų45.545%0.44525%0.254SS..EExtended strand (participates in β ladder)trans-90.7145.2-173.8-63.8168.762.91113.4110.7E687 E693 P718E687-R695 HydrophobicContact CB-CB 4Å; E687-R695 HydrophobicContact CG-CB 4.08Å; E687-R695 PolarHBondContact N-O 2.86Å; E687-R695 PolarHBondContact O-N 2.93Å; E687-R695 VanDerWaalsContact OE1-CD 3.27Å; E687-R695 WeakPolarHBondContact OE1-CD 3.31Å; E687-R695 IonicContact OE1-CZ 2.87Å; E687-R695 IonicContact OE1-NE 3.07Å; E687-R695 PolarHBondContact OE1-NE 2.68Å; E693-R695 HydrophobicContact CG-CG 3.92Å; E693-R695 IonicContact OE1-NH1 3.91Å; R695-P718 WeakPolarHBondContact O-CG 3.39Å
696P96.9Very high94.8Very high76 Ų7647.1 Ų47.149%0.49426%0.261SS..  trans-64.2144.917825.6-32.3000111.7A720 N721P696-A720 HydrophobicContact CB-CB 3.93Å; P696-A720 HydrophobicContact CG-CB 4.22Å; P696-N721 VanDerWaalsContact CA-OD1 3.25Å; P696-N721 WeakPolarHBondContact CA-OD1 3.24Å
697V95.6Very high94.5Very high7 Ų747.1 Ų47.14%0.04226%0.261CS..  trans-106153.3176.6-55.70000110.6F685 E687 N721F685-V697 HydrophobicContact CD2-CG2 3.34Å; F685-V697 HydrophobicContact CE2-CG2 3.51Å; F685-V697 HydrophobicContact CG-CG2 4.39Å; E687-V697 HydrophobicContact CB-CG1 4.39Å; V697-N721 PolarHBondContact N-OD1 3.21Å; V697-N721 PolarHBondContact O-ND2 3.07Å
698P93.4Very high94.2Very high94 Ų9446.2 Ų46.261%0.6126%0.262SS*.THydrogen-bonded Turntrans-59.5144.5173.3-2333.9000112.3G700 R703P698-G700 PolarHBondContact O-N 3.22Å; P698-R703 PolarHBondContact O-NE 3.15Å; P698-R703 VanDerWaalsContact O-NE 3.16Å; P698-R703 PolarHBondContact O-NH2 2.94Å
699S91.3Very high93.7Very high56 Ų5652.8 Ų52.839%0.39229%0.29SS..THydrogen-bonded Turntrans51.538.2176.2-48.30000114.1Q701 E702 R703S699-Q701 VanDerWaalsContact C-N 3.31Å; S699-Q701 PolarHBondContact O-N 2.66Å; S699-E702 WeakPolarHBondContact CA-OE2 3.23Å; S699-E702 WeakPolarHBondContact CB-OE2 3.48Å; S699-E702 PolarHBondContact O-N 3.45Å; S699-R703 WeakPolarHBondContact O-CG 3.2Å; S699-R703 PolarHBondContact O-N 3.32Å; S699-R703 VanDerWaalsContact O-N 3.08Å
700G92.6Very high93.2Very high3 Ų354.2 Ų54.23%0.03129%0.294CS..Hα-helixtrans-64.1-31.6-175.200000114F685 P698 R703 I704F685-G700 WeakPolarHBondContact CZ-O 3.38Å; P698-G700 PolarHBondContact O-N 3.22Å; G700-R703 PolarHBondContact O-N 2.79Å; G700-I704 WeakPolarHBondContact O-CD1 3.42Å; G700-I704 VanDerWaalsContact O-CG1 3.26Å; G700-I704 WeakPolarHBondContact O-CG1 3.42Å; G700-I704 PolarHBondContact O-N 3.41Å; G700-I704 VanDerWaalsContact O-N 3.14Å
701Q92.3Very high92.8Very high105 Ų10550.4 Ų50.449%0.49129%0.285SS..Hα-helixtrans-71.9-36.9178.5-63.7-176.136.300111.5S699 I704 S705 P723S699-Q701 VanDerWaalsContact C-N 3.31Å; S699-Q701 PolarHBondContact O-N 2.66Å; Q701-I704 PolarHBondContact O-N 3.4Å; Q701-S705 WeakPolarHBondContact O-CB 3.45Å; Q701-S705 PolarHBondContact O-N 2.62Å; Q701-S705 PolarHBondContact O-OG 3.49Å; Q701-P723 HydrophobicContact CG-CB 4.1Å
702E91.3Very high92.6Very high98 Ų9847.5 Ų47.546%0.45826%0.26SS..Hα-helixtrans-65.7-39.6174.8-65.379.8179.700110.8W592 S699 S705 E706W592-E702 HydrophobicContact CH2-CB 4.23Å; W592-E702 HydrophobicContact CZ2-CB 3.77Å; S699-E702 WeakPolarHBondContact CA-OE2 3.23Å; S699-E702 WeakPolarHBondContact CB-OE2 3.48Å; S699-E702 PolarHBondContact O-N 3.45Å; E702-S705 PolarHBondContact O-N 2.89Å; E702-E706 WeakPolarHBondContact O-CB 3.33Å; E702-E706 PolarHBondContact O-N 3.12Å
703R93.7Very high92.5Very high4 Ų455.3 Ų55.32%0.01529%0.289CS..Hα-helixtrans-58.9-48.4172.4-69177.8-159.6-104.96.2111.9V590 E658 S660 F685 P698 S699 G700 S705 E706 A707V590-R703 HydrophobicContact CB-CB 3.87Å; V590-R703 HydrophobicContact CB-CG 3.96Å; V590-R703 HydrophobicContact CG1-CB 4.03Å; V590-R703 HydrophobicContact CG1-CG 3.9Å; V590-R703 HydrophobicContact CG2-CB 4.21Å; V590-R703 PolarHBondContact O-NH1 3.35Å; E658-R703 VanDerWaalsContact CD-NH1 3.34Å; E658-R703 IonicContact OE1-CZ 3.29Å; E658-R703 IonicContact OE1-NH1 3.33Å; E658-R703 PolarHBondContact OE1-NH1 3.2Å; E658-R703 IonicContact OE1-NH2 2.81Å; E658-R703 IonicContact OE2-CZ 2.7Å; E658-R703 IonicContact OE2-NH1 3.87Å; E658-R703 PolarHBondContact OE2-NH1 3.47Å; E658-R703 IonicContact OE2-NH2 2.68Å; E658-R703 PolarHBondContact OE2-NH2 2.75Å; S660-R703 PolarHBondContact OG-NH1 3.5Å; S660-R703 VanDerWaalsContact OG-NH1 3.11Å; F685-R703 HydrophobicContact CD1-CB 4.25Å; F685-R703 HydrophobicContact CE1-CB 3.76Å; F685-R703 HydrophobicContact CZ-CB 4.13Å; P698-R703 PolarHBondContact O-NE 3.15Å; P698-R703 VanDerWaalsContact O-NE 3.16Å; P698-R703 PolarHBondContact O-NH2 2.94Å; S699-R703 WeakPolarHBondContact O-CG 3.2Å; S699-R703 PolarHBondContact O-N 3.32Å; S699-R703 VanDerWaalsContact O-N 3.08Å; G700-R703 PolarHBondContact O-N 2.79Å; R703-S705 VanDerWaalsContact C-N 3.33Å; R703-S705 PolarHBondContact O-N 3.2Å; R703-E706 PolarHBondContact O-N 2.89Å; R703-A707 PolarHBondContact O-N 3.25Å
704I94.4Very high92.4Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..Hα-helixtrans-60.2-45.7177.6-66.3164.2000110.3F685 G700 Q701 E706 A707 A708 V717 P723 P727 M730 I732F685-I704 HydrophobicContact CE1-CG1 3.81Å; F685-I704 HydrophobicContact CZ-CD1 4.07Å; F685-I704 HydrophobicContact CZ-CG1 3.75Å; G700-I704 WeakPolarHBondContact O-CD1 3.42Å; G700-I704 VanDerWaalsContact O-CG1 3.26Å; G700-I704 WeakPolarHBondContact O-CG1 3.42Å; G700-I704 PolarHBondContact O-N 3.41Å; G700-I704 VanDerWaalsContact O-N 3.14Å; Q701-I704 PolarHBondContact O-N 3.4Å; I704-E706 VanDerWaalsContact C-N 3.32Å; I704-E706 PolarHBondContact O-N 3.14Å; I704-A707 PolarHBondContact O-N 2.92Å; I704-A708 PolarHBondContact O-N 3.15Å; I704-V717 HydrophobicContact CD1-CG1 4.15Å; I704-V717 HydrophobicContact CD1-CG2 4.35Å; I704-V717 HydrophobicContact CG1-CG1 4.14Å; I704-P723 HydrophobicContact CD1-CG 4.46Å; I704-P727 HydrophobicContact CG2-CG 3.93Å; I704-M730 HydrophobicContact CG2-CE 4.31Å; I704-M730 HydrophobicContact CG2-SD 3.47Å; I704-M730 WeakPolarHBondContact CG2-SD 3.44Å; I704-I732 HydrophobicContact CD1-CD1 4.35Å; I704-I732 HydrophobicContact CG2-CD1 3.72Å; I704-I732 HydrophobicContact CG2-CG1 4.38Å
705S91.1Very high92.4Very high52 Ų5254.7 Ų54.736%0.36428%0.283SS..Hα-helixtrans-62.6-39.2178.9-58.30000112Q701 E702 R703 A708 K709Q701-S705 WeakPolarHBondContact O-CB 3.45Å; Q701-S705 PolarHBondContact O-N 2.62Å; Q701-S705 PolarHBondContact O-OG 3.49Å; E702-S705 PolarHBondContact O-N 2.89Å; R703-S705 VanDerWaalsContact C-N 3.33Å; R703-S705 PolarHBondContact O-N 3.2Å; S705-A708 PolarHBondContact O-N 2.93Å; S705-K709 WeakPolarHBondContact O-CG 3.36Å; S705-K709 PolarHBondContact O-N 3.05Å; S705-K709 VanDerWaalsContact O-N 3.11Å
706E89.8Confident92.4Very high34 Ų3449 Ų4916%0.15926%0.262CS..Hα-helixtrans-67.5-42.4177.5-165.565.8-166.800112.2P597 L599 E702 R703 I704 A708 K709 H710P597-E706 HydrophobicContact CB-CB 4.14Å; P597-E706 HydrophobicContact CB-CG 3.94Å; P597-E706 HydrophobicContact CG-CB 4Å; P597-E706 HydrophobicContact CG-CG 3.66Å; L599-E706 HydrophobicContact CD1-CG 4.43Å; E702-E706 WeakPolarHBondContact O-CB 3.33Å; E702-E706 PolarHBondContact O-N 3.12Å; R703-E706 PolarHBondContact O-N 2.89Å; I704-E706 VanDerWaalsContact C-N 3.32Å; I704-E706 PolarHBondContact O-N 3.14Å; E706-A708 VanDerWaalsContact C-N 3.33Å; E706-A708 PolarHBondContact O-N 3.36Å; E706-K709 WeakPolarHBondContact O-CB 3.24Å; E706-K709 PolarHBondContact O-N 3.39Å; E706-K709 IonicContact OE2-NZ 3.38Å; E706-K709 PolarHBondContact OE2-NZ 2.78Å; E706-H710 PolarHBondContact O-N 2.95Å; E706-H710 PolarHBondContact O-ND1 3.16Å; E706-H710 IonicContact OE1-CE1 3.67Å; E706-H710 PolarHBondContact OE1-CE1 2.95Å; E706-H710 IonicContact OE1-ND1 3.66Å
707A91.8Very high92.5Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-61.6-43174.900000111.7V590 L599 V683 R703 I704 K709 H710 G711 F712 M730V590-A707 HydrophobicContact CG2-CB 4.13Å; L599-A707 HydrophobicContact CD2-CB 4.15Å; V683-A707 HydrophobicContact CB-CB 4.15Å; V683-A707 HydrophobicContact CG1-CB 3.73Å; V683-A707 HydrophobicContact CG2-CB 4.26Å; R703-A707 PolarHBondContact O-N 3.25Å; I704-A707 PolarHBondContact O-N 2.92Å; A707-K709 VanDerWaalsContact C-N 3.34Å; A707-K709 PolarHBondContact O-N 3.16Å; A707-H710 CarbonylContact O-C 3.42Å; A707-H710 WeakPolarHBondContact O-CA 3.48Å; A707-H710 PolarHBondContact O-N 3.24Å; A707-G711 PolarHBondContact O-N 3.45Å; A707-F712 HydrophobicContact CB-CB 4.02Å; A707-F712 HydrophobicContact CB-CD2 4.5Å; A707-F712 HydrophobicContact CB-CG 4.31Å; A707-F712 WeakPolarHBondContact O-CB 3.34Å; A707-F712 PolarHBondContact O-N 3.01Å; A707-F712 VanDerWaalsContact O-N 3.12Å; A707-M730 HydrophobicContact CB-CE 3.98Å
708A91.1Very high92.6Very high28 Ų2845.1 Ų45.123%0.23124%0.237CC..Hα-helixtrans-58.6-42.8175.800000112.2I704 S705 E706 H710 G711 P727 M730I704-A708 PolarHBondContact O-N 3.15Å; S705-A708 PolarHBondContact O-N 2.93Å; E706-A708 VanDerWaalsContact C-N 3.33Å; E706-A708 PolarHBondContact O-N 3.36Å; A708-H710 PolarHBondContact O-N 3.01Å; A708-G711 PolarHBondContact O-N 2.98Å; A708-P727 HydrophobicContact CB-CB 3.71Å; A708-P727 HydrophobicContact CB-CG 4.09Å; A708-M730 HydrophobicContact CB-SD 3.94Å
709K86.9Confident92.8Very high152 Ų15242.2 Ų42.266%0.66122%0.221SC*.Hα-helixtrans-60-26.2175.1-68.4172.8-159.21610113.1S705 E706 A707 G711S705-K709 WeakPolarHBondContact O-CG 3.36Å; S705-K709 PolarHBondContact O-N 3.05Å; S705-K709 VanDerWaalsContact O-N 3.11Å; E706-K709 WeakPolarHBondContact O-CB 3.24Å; E706-K709 PolarHBondContact O-N 3.39Å; E706-K709 IonicContact OE2-NZ 3.38Å; E706-K709 PolarHBondContact OE2-NZ 2.78Å; A707-K709 VanDerWaalsContact C-N 3.34Å; A707-K709 PolarHBondContact O-N 3.16Å; K709-G711 VanDerWaalsContact C-N 3.33Å
710H85.2Confident93Very high37 Ų3743.3 Ų43.317%0.17123%0.233CC..THydrogen-bonded Turntrans-93.68.5179-7069.3000113.3N570 S572 R578 L599 E706 A707 A708 F712N570-H710 PolarHBondContact OD1-NE2 2.78Å; S572-H710 VanDerWaalsContact CB-CD2 3.44Å; S572-H710 WeakPolarHBondContact CB-CD2 3.49Å; S572-H710 VanDerWaalsContact CB-NE2 3.34Å; S572-H710 WeakPolarHBondContact CB-NE2 3.38Å; S572-H710 PolarHBondContact OG-NE2 2.8Å; S572-H710 VanDerWaalsContact OG-NE2 3.16Å; R578-H710 PolarHBondContact NH2-O 3.23Å; L599-H710 HydrophobicContact CD1-CB 3.83Å; L599-H710 VanDerWaalsContact CD1-CG 3.41Å; L599-H710 HydrophobicContact CD2-CB 4.46Å; E706-H710 PolarHBondContact O-N 2.95Å; E706-H710 PolarHBondContact O-ND1 3.16Å; E706-H710 IonicContact OE1-CE1 3.67Å; E706-H710 PolarHBondContact OE1-CE1 2.95Å; E706-H710 IonicContact OE1-ND1 3.66Å; A707-H710 CarbonylContact O-C 3.42Å; A707-H710 WeakPolarHBondContact O-CA 3.48Å; A707-H710 PolarHBondContact O-N 3.24Å; A708-H710 PolarHBondContact O-N 3.01Å; H710-F712 HydrophobicContact CB-CD2 4.16Å; H710-F712 HydrophobicContact CB-CE2 4.38Å
711G87Confident93.2Very high47 Ų4744 Ų4449%0.48524%0.236SC..THydrogen-bonded Turntrans86.211.317400000115A707 A708 K709A707-G711 PolarHBondContact O-N 3.45Å; A708-G711 PolarHBondContact O-N 2.98Å; K709-G711 VanDerWaalsContact C-N 3.33Å
712F91.2Very high93.3Very high7 Ų741.7 Ų41.73%0.03123%0.229CC..  trans-70.5133.5172.7-74.8-102.2000110L576 V588 L599 Q680 D681 L682 V683 A707 H710 M730L576-F712 HydrophobicContact CD1-CE2 4.15Å; L576-F712 HydrophobicContact CD1-CZ 4.35Å; L576-F712 HydrophobicContact CD2-CZ 4.13Å; V588-F712 HydrophobicContact CB-CE1 3.86Å; V588-F712 HydrophobicContact CB-CZ 4.1Å; V588-F712 HydrophobicContact CG1-CE1 3.85Å; V588-F712 HydrophobicContact CG1-CZ 3.69Å; V588-F712 HydrophobicContact CG2-CE1 4.07Å; V588-F712 HydrophobicContact CG2-CZ 4.09Å; L599-F712 HydrophobicContact CD2-CD2 3.57Å; L599-F712 HydrophobicContact CD2-CE2 3.29Å; L599-F712 HydrophobicContact CD2-CG 4.33Å; L599-F712 HydrophobicContact CD2-CZ 3.83Å; Q680-F712 WeakPolarHBondContact O-CE1 3.42Å; D681-F712 WeakPolarHBondContact O-CD1 3.44Å; L682-F712 WeakPolarHBondContact O-CE1 3.39Å; V683-F712 HydrophobicContact CB-CD1 4Å; V683-F712 HydrophobicContact CB-CG 4.48Å; A707-F712 HydrophobicContact CB-CB 4.02Å; A707-F712 HydrophobicContact CB-CD2 4.5Å; A707-F712 HydrophobicContact CB-CG 4.31Å; A707-F712 WeakPolarHBondContact O-CB 3.34Å; A707-F712 PolarHBondContact O-N 3.01Å; A707-F712 VanDerWaalsContact O-N 3.12Å; H710-F712 HydrophobicContact CB-CD2 4.16Å; H710-F712 HydrophobicContact CB-CE2 4.38Å; F712-M730 HydrophobicContact CB-CE 4.21Å
713R94.1Very high93.4Very high166 Ų16637.8 Ų37.863%0.62621%0.212SC*.  trans-108.1-14.3-175.3-56.9-179.4178179.3-0.7112.7D681 M730 Q731D681-R713 HydrophobicContact CB-CB 4.39Å; D681-R713 HydrophobicContact CB-CG 4.44Å; D681-R713 PolarHBondContact O-N 2.78Å; D681-R713 WeakPolarHBondContact OD2-CB 3.47Å; R713-M730 CarbonylContact O-C 3.5Å; R713-M730 WeakPolarHBondContact O-CA 3.21Å; R713-Q731 PolarHBondContact O-N 3Å
714R96.1Very high93.3Very high63 Ų6348.4 Ų48.424%0.23826%0.258CS..EExtended strand (participates in β ladder)trans-129.4143.3-177.8-69.2177.5-87.1-162.7-12.5110.3D681 L682 V683 Q731 F733D681-R714 PolarHBondContact O-N 3.12Å; D681-R714 IonicContact OD1-CZ 3.63Å; D681-R714 IonicContact OD1-NE 2.94Å; D681-R714 PolarHBondContact OD1-NE 3.31Å; D681-R714 IonicContact OD1-NH2 3.36Å; D681-R714 PolarHBondContact OD1-NH2 3.01Å; D681-R714 IonicContact OD2-CZ 2.7Å; D681-R714 IonicContact OD2-NE 3Å; D681-R714 IonicContact OD2-NH2 3.29Å; D681-R714 PolarHBondContact OD2-NH2 3.4Å; L682-R714 WeakPolarHBondContact CA-O 3.36Å; L682-R714 HydrophobicContact CB-CB 4.35Å; L682-R714 HydrophobicContact CD1-CB 3.77Å; V683-R714 PolarHBondContact N-O 2.98Å; R714-Q731 CarbonylContact C-O 3.54Å; R714-Q731 VanDerWaalsContact CA-O 3.31Å; R714-Q731 WeakPolarHBondContact CA-O 3.44Å; R714-Q731 HydrophobicContact CG-CB 4.5Å; R714-F733 HydrophobicContact CB-CE2 4.35Å; R714-F733 HydrophobicContact CG-CE2 4.32Å
715A97.4Very high93.1Very high0 Ų057.2 Ų57.20%030%0.297CS..EExtended strand (participates in β ladder)trans-139.3129.8173.600000112.2V683 V717 M730 Q731 F733V683-A715 HydrophobicContact CG1-CB 3.66Å; V683-A715 CarbonylContact O-C 3.59Å; V683-A715 WeakPolarHBondContact O-CA 3.38Å; A715-V717 HydrophobicContact CB-CG1 3.92Å; A715-M730 HydrophobicContact CB-CE 3.71Å; A715-Q731 PolarHBondContact N-O 3.22Å; A715-F733 WeakPolarHBondContact O-CD2 3.47Å; A715-F733 PolarHBondContact O-N 3.27Å
716I98Very high93Very high0 Ų056.8 Ų56.80%030%0.297CS..EExtended strand (participates in β ladder)trans-101.7118165.5-64165.7000108.1L663 L667 L682 V683 V684 F685 F733 V735 A741 V744 L748L663-I716 HydrophobicContact CD2-CG2 3.89Å; L667-I716 HydrophobicContact CD1-CD1 3.69Å; L682-I716 HydrophobicContact CD1-CD1 4.11Å; L682-I716 HydrophobicContact CD1-CG1 3.92Å; L682-I716 HydrophobicContact CD2-CD1 3.99Å; V683-I716 PolarHBondContact O-N 3.22Å; V684-I716 WeakPolarHBondContact CA-O 3.46Å; V684-I716 HydrophobicContact CG1-CB 4.27Å; V684-I716 HydrophobicContact CG1-CG2 4.47Å; V684-I716 HydrophobicContact CG2-CB 4.32Å; V684-I716 HydrophobicContact CG2-CD1 4.46Å; F685-I716 PolarHBondContact N-O 2.87Å; F685-I716 VanDerWaalsContact N-O 3.12Å; I716-F733 HydrophobicContact CG1-CB 4.14Å; I716-F733 HydrophobicContact CG1-CD2 4.25Å; I716-V735 HydrophobicContact CG2-CG1 4.02Å; I716-V735 HydrophobicContact CG2-CG2 3.99Å; I716-A741 HydrophobicContact CG2-CB 4.41Å; I716-V744 HydrophobicContact CD1-CB 4.43Å; I716-V744 HydrophobicContact CD1-CG1 3.79Å; I716-V744 HydrophobicContact CG1-CG1 3.83Å; I716-L748 HydrophobicContact CD1-CD1 4.04Å
717V97.7Very high92.9Very high0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-140.7160.3-170.1-54.60000111.3F685 I704 A715 A719 V722 I732 F733 G734 V735F685-V717 HydrophobicContact CD1-CG1 3.97Å; F685-V717 HydrophobicContact CD2-CB 4.42Å; F685-V717 HydrophobicContact CD2-CG1 4.36Å; F685-V717 HydrophobicContact CE1-CB 4.29Å; F685-V717 HydrophobicContact CE1-CG1 3.36Å; F685-V717 HydrophobicContact CE2-CB 3.82Å; F685-V717 HydrophobicContact CE2-CG1 3.82Å; F685-V717 HydrophobicContact CG-CG1 4.44Å; F685-V717 HydrophobicContact CZ-CB 3.75Å; F685-V717 HydrophobicContact CZ-CG1 3.29Å; I704-V717 HydrophobicContact CD1-CG1 4.15Å; I704-V717 HydrophobicContact CD1-CG2 4.35Å; I704-V717 HydrophobicContact CG1-CG1 4.14Å; A715-V717 HydrophobicContact CB-CG1 3.92Å; V717-A719 PolarHBondContact O-N 3.02Å; V717-V722 HydrophobicContact CG2-CG2 3.8Å; V717-I732 HydrophobicContact CG2-CG2 3.51Å; V717-F733 PolarHBondContact N-O 3.48Å; V717-G734 CarbonylContact O-C 3.51Å; V717-G734 WeakPolarHBondContact O-CA 3.37Å; V717-V735 VanDerWaalsContact O-CG2 3.31Å; V717-V735 WeakPolarHBondContact O-CG2 3.44Å; V717-V735 PolarHBondContact O-N 3.33Å
718P97.9Very high92.7Very high1 Ų166.4 Ų66.41%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-58.7137.6172.3-19.934000109.6F685 I694 R695 A720 N721F685-P718 WeakPolarHBondContact O-CD 3.43Å; I694-P718 HydrophobicContact CG2-CB 3.96Å; I694-P718 HydrophobicContact CG2-CG 3.87Å; R695-P718 WeakPolarHBondContact O-CG 3.39Å; P718-A720 PolarHBondContact O-N 3.37Å; P718-N721 WeakPolarHBondContact CG-OD1 3.31Å; P718-N721 PolarHBondContact O-N 3.35Å
719A97.2Very high92.6Very high33 Ų3368.3 Ų68.327%0.27337%0.367SS..G310 helixtrans-54.1-31-177.700000113V717 N721 V722 V735 K736V717-A719 PolarHBondContact O-N 3.02Å; A719-N721 VanDerWaalsContact C-N 3.34Å; A719-V722 WeakPolarHBondContact O-CG2 3.36Å; A719-V722 PolarHBondContact O-N 3.2Å; A719-V735 PolarHBondContact N-O 3.39Å; A719-K736 HydrophobicContact CB-CG 3.64Å
720A95.8Very high92.9Very high79 Ų7961.7 Ų61.765%0.65334%0.338SS*.G310 helixtrans-76.3-13.1177.200000114.7P696 P718P696-A720 HydrophobicContact CB-CB 3.93Å; P696-A720 HydrophobicContact CG-CB 4.22Å; P718-A720 PolarHBondContact O-N 3.37Å
721N96.1Very high93.4Very high16 Ų1665.2 Ų65.29%0.08636%0.355CS..G310 helixtrans-93.8-6173.2-73.2121.6000113.8F685 P696 V697 P718 A719F685-N721 HydrophobicContact CE2-CB 4.13Å; P696-N721 VanDerWaalsContact CA-OD1 3.25Å; P696-N721 WeakPolarHBondContact CA-OD1 3.24Å; V697-N721 PolarHBondContact N-OD1 3.21Å; V697-N721 PolarHBondContact O-ND2 3.07Å; P718-N721 WeakPolarHBondContact CG-OD1 3.31Å; P718-N721 PolarHBondContact O-N 3.35Å; A719-N721 VanDerWaalsContact C-N 3.34Å
722V96.1Very high93.8Very high57 Ų5764.4 Ų64.435%0.34534%0.339SS..  trans-62.7122.4179.3-179.60000109.7V717 A719 I732V717-V722 HydrophobicContact CG2-CG2 3.8Å; A719-V722 WeakPolarHBondContact O-CG2 3.36Å; A719-V722 PolarHBondContact O-N 3.2Å; V722-I732 HydrophobicContact CG1-CG2 4.26Å; V722-I732 HydrophobicContact CG2-CG2 4.1Å
723P92.8Very high94.1Very high17 Ų1766.1 Ų66.111%0.1135%0.347CS..  trans-70.3151.5179.230-35.2000110.6Q701 I704 K725 I732Q701-P723 HydrophobicContact CG-CB 4.1Å; I704-P723 HydrophobicContact CD1-CG 4.46Å; P723-K725 PolarHBondContact O-N 3.46Å; P723-I732 HydrophobicContact CG-CD1 3.62Å
724K91Very high94.3Very high226 Ų22660.1 Ų60.198%0.98334%0.337SS*.SBendtrans-59.8-30.6174.1-67.5-176.8179.7178.80112.6
725K89.7Confident94.3Very high186 Ų18657.2 Ų57.281%0.80933%0.326SS*.SBendtrans-129.3114.7174.7-174179.1180-176.70108.1P723P723-K725 PolarHBondContact O-N 3.46Å
726A89.3Confident94.4Very high44 Ų4464.4 Ų64.436%0.36436%0.357SS..PPolyproline II helixtrans-65.3147.9174.900000110.7I732A726-I732 HydrophobicContact CB-CD1 3.66Å; A726-I732 HydrophobicContact CB-CG1 4.28Å
727P89.2Confident94.3Very high33 Ų3370.3 Ų70.321%0.21438%0.383CS..PPolyproline II helixtrans-54.6146.2166.3-23.634.9000110.9I704 A708 G729 M730I704-P727 HydrophobicContact CG2-CG 3.93Å; A708-P727 HydrophobicContact CB-CB 3.71Å; A708-P727 HydrophobicContact CB-CG 4.09Å; P727-G729 PolarHBondContact O-N 3.11Å; P727-M730 HydrophobicContact CB-CB 4.26Å; P727-M730 HydrophobicContact CG-SD 4.32Å; P727-M730 PolarHBondContact O-N 3.18Å; P727-M730 VanDerWaalsContact O-N 3.11Å
728E87Confident94.2Very high203 Ų20370.4 Ų70.495%0.94938%0.383SS*.THydrogen-bonded Turntrans-58.8130.6-178.9-169.8174.1178.800110.9M730E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 3.31Å
729G88.4Confident94.1Very high68 Ų6873.1 Ų73.170%0.70140%0.402SS*.THydrogen-bonded Turntrans79.63.4-178.700000115.8P727P727-G729 PolarHBondContact O-N 3.11Å
730M93Very high94Very high13 Ų1374.5 Ų74.56%0.06441%0.405CS..  trans-107.7122.1-178.8-157.7178.7-159.500112.8V683 I704 A707 A708 F712 R713 A715 P727 E728 I732V683-M730 HydrophobicContact CG1-CE 3.9Å; I704-M730 HydrophobicContact CG2-CE 4.31Å; I704-M730 HydrophobicContact CG2-SD 3.47Å; I704-M730 WeakPolarHBondContact CG2-SD 3.44Å; A707-M730 HydrophobicContact CB-CE 3.98Å; A708-M730 HydrophobicContact CB-SD 3.94Å; F712-M730 HydrophobicContact CB-CE 4.21Å; R713-M730 CarbonylContact O-C 3.5Å; R713-M730 WeakPolarHBondContact O-CA 3.21Å; A715-M730 HydrophobicContact CB-CE 3.71Å; P727-M730 HydrophobicContact CB-CB 4.26Å; P727-M730 HydrophobicContact CG-SD 4.32Å; P727-M730 PolarHBondContact O-N 3.18Å; P727-M730 VanDerWaalsContact O-N 3.11Å; E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 3.31Å; M730-I732 HydrophobicContact CG-CG1 4.42Å
731Q95.8Very high94Very high110 Ų11070.8 Ų70.851%0.51437%0.374SS..EExtended strand (participates in β ladder)trans-89125.6170.3-173.2178.516.100110R713 R714 A715 F733R713-Q731 PolarHBondContact O-N 3Å; R714-Q731 CarbonylContact C-O 3.54Å; R714-Q731 VanDerWaalsContact CA-O 3.31Å; R714-Q731 WeakPolarHBondContact CA-O 3.44Å; R714-Q731 HydrophobicContact CG-CB 4.5Å; A715-Q731 PolarHBondContact N-O 3.22Å; Q731-F733 HydrophobicContact CG-CE1 4.3Å; Q731-F733 HydrophobicContact CG-CE2 3.94Å; Q731-F733 HydrophobicContact CG-CZ 3.78Å; Q731-F733 VanDerWaalsContact NE2-CZ 3.33Å
732I96.5Very high94Very high31 Ų3170.6 Ų70.616%0.15937%0.373CS..EExtended strand (participates in β ladder)trans-117.2119.1-175.8-53.7173.9000109.6I704 V717 V722 P723 A726 M730I704-I732 HydrophobicContact CD1-CD1 4.35Å; I704-I732 HydrophobicContact CG2-CD1 3.72Å; I704-I732 HydrophobicContact CG2-CG1 4.38Å; V717-I732 HydrophobicContact CG2-CG2 3.51Å; V722-I732 HydrophobicContact CG1-CG2 4.26Å; V722-I732 HydrophobicContact CG2-CG2 4.1Å; P723-I732 HydrophobicContact CG-CD1 3.62Å; A726-I732 HydrophobicContact CB-CD1 3.66Å; A726-I732 HydrophobicContact CB-CG1 4.28Å; M730-I732 HydrophobicContact CG-CG1 4.42Å
733F97.4Very high94Very high43 Ų4371 Ų7119%0.18938%0.378CS..EExtended strand (participates in β ladder)trans-96.9103.4175.7-55.9-85.9000109.4R714 A715 I716 V717 Q731 V744 L748R714-F733 HydrophobicContact CB-CE2 4.35Å; R714-F733 HydrophobicContact CG-CE2 4.32Å; A715-F733 WeakPolarHBondContact O-CD2 3.47Å; A715-F733 PolarHBondContact O-N 3.27Å; I716-F733 HydrophobicContact CG1-CB 4.14Å; I716-F733 HydrophobicContact CG1-CD2 4.25Å; V717-F733 PolarHBondContact N-O 3.48Å; Q731-F733 HydrophobicContact CG-CE1 4.3Å; Q731-F733 HydrophobicContact CG-CE2 3.94Å; Q731-F733 HydrophobicContact CG-CZ 3.78Å; Q731-F733 VanDerWaalsContact NE2-CZ 3.33Å; F733-V744 HydrophobicContact CB-CG1 3.9Å; F733-V744 HydrophobicContact CB-CG2 4.22Å; F733-V744 HydrophobicContact CD1-CG1 3.72Å; F733-V744 HydrophobicContact CD1-CG2 4.22Å; F733-V744 HydrophobicContact CD2-CG1 4.04Å; F733-V744 HydrophobicContact CE1-CG1 4.2Å; F733-V744 HydrophobicContact CE2-CG1 4.49Å; F733-V744 HydrophobicContact CG-CG1 3.62Å; F733-V744 HydrophobicContact CG-CG2 4.47Å; F733-L748 HydrophobicContact CE2-CD2 4.14Å; F733-L748 HydrophobicContact CZ-CD2 4.03Å
734G97.3Very high94.1Very high40 Ų4071.2 Ų71.241%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-84.4112.8176.600000112V717V717-G734 CarbonylContact O-C 3.51Å; V717-G734 WeakPolarHBondContact O-CA 3.37Å
735V97.8Very high94.3Very high2 Ų260.5 Ų60.51%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-106.9144.1-177.1-64.30000111.8L663 I694 I716 V717 A719 D740 A741 V744L663-V735 HydrophobicContact CD2-CG2 3.95Å; I694-V735 HydrophobicContact CB-CG2 4.23Å; I694-V735 HydrophobicContact CG1-CG2 4.02Å; I694-V735 HydrophobicContact CG2-CG2 4.03Å; I716-V735 HydrophobicContact CG2-CG1 4.02Å; I716-V735 HydrophobicContact CG2-CG2 3.99Å; V717-V735 VanDerWaalsContact O-CG2 3.31Å; V717-V735 WeakPolarHBondContact O-CG2 3.44Å; V717-V735 PolarHBondContact O-N 3.33Å; A719-V735 PolarHBondContact N-O 3.39Å; V735-D740 HydrophobicContact CB-CB 4.01Å; V735-D740 HydrophobicContact CG1-CB 4.02Å; V735-A741 HydrophobicContact CB-CB 4.36Å; V735-A741 HydrophobicContact CG1-CB 4.11Å; V735-A741 HydrophobicContact CG2-CB 4.26Å; V735-V744 HydrophobicContact CG1-CG2 4.31Å
736K97.6Very high94.4Very high150 Ų15054.7 Ų54.765%0.65231%0.31SS*.SBendtrans-108.6-28.3177.4-67.1-179.2-179.2176.50112.3I694 A719 D740I694-K736 PolarHBondContact N-O 3.34Å; A719-K736 HydrophobicContact CB-CG 3.64Å; K736-D740 WeakPolarHBondContact CA-OD2 3.47Å; K736-D740 PolarHBondContact N-OD2 3.47Å
737K96.9Very high94.5Very high125 Ų12558.8 Ų58.854%0.54333%0.326SS..BIsolated β-bridgetrans-132.6158.5179.4-64.3-177.3179.4-178.40110.9G692 S739 D740 A741G692-K737 CarbonylContact O-C 3.51Å; G692-K737 VanDerWaalsContact O-CA 3.31Å; G692-K737 WeakPolarHBondContact O-CA 3.25Å; K737-S739 PolarHBondContact O-N 2.94Å; K737-D740 PolarHBondContact N-OD2 3.45Å; K737-D740 WeakPolarHBondContact O-CB 3.49Å; K737-D740 PolarHBondContact O-N 2.97Å; K737-A741 PolarHBondContact O-N 3.38Å
738L96.1Very high94.5Very high1 Ų159.4 Ų59.41%0.00533%0.328CS..Hα-helixtrans-55.9-38.1174.5-179.857.7000111.9V632 L633 L663 L666 G692 I694 D740 A741 L742V632-L738 HydrophobicContact CG1-CD2 4.29Å; L633-L738 HydrophobicContact CD1-CD2 4.03Å; L663-L738 HydrophobicContact CD1-CD1 4.21Å; L666-L738 HydrophobicContact CB-CD1 4.49Å; L666-L738 HydrophobicContact CD1-CD1 3.61Å; L666-L738 HydrophobicContact CD1-CD2 3.94Å; L666-L738 HydrophobicContact CD1-CG 4.42Å; G692-L738 PolarHBondContact O-N 3.47Å; I694-L738 HydrophobicContact CD1-CB 4.5Å; L738-D740 VanDerWaalsContact C-N 3.25Å; L738-D740 PolarHBondContact O-N 2.88Å; L738-A741 PolarHBondContact O-N 3.03Å; L738-A741 VanDerWaalsContact O-N 3.16Å; L738-L742 HydrophobicContact CD1-CG 4.43Å; L738-L742 HydrophobicContact CG-CD1 4.32Å; L738-L742 HydrophobicContact CG-CG 4.48Å; L738-L742 WeakPolarHBondContact O-CG 3.46Å; L738-L742 PolarHBondContact O-N 2.66Å
739S94.5Very high94.9Very high59 Ų5952.3 Ų52.341%0.41330%0.297SS..Hα-helixtrans-57.1-37.4173.9550000113.2K737 L742 S743K737-S739 PolarHBondContact O-N 2.94Å; S739-L742 PolarHBondContact O-N 3.21Å; S739-S743 PolarHBondContact O-N 2.87Å
740D95.6Very high95.2Very high62 Ų6251.4 Ų51.433%0.33228%0.275SS..Hα-helixtrans-68.5-42.2179-47.9-21.1000109.6V735 K736 K737 L738 L742 S743 V744V735-D740 HydrophobicContact CB-CB 4.01Å; V735-D740 HydrophobicContact CG1-CB 4.02Å; K736-D740 WeakPolarHBondContact CA-OD2 3.47Å; K736-D740 PolarHBondContact N-OD2 3.47Å; K737-D740 PolarHBondContact N-OD2 3.45Å; K737-D740 WeakPolarHBondContact O-CB 3.49Å; K737-D740 PolarHBondContact O-N 2.97Å; L738-D740 VanDerWaalsContact C-N 3.25Å; L738-D740 PolarHBondContact O-N 2.88Å; D740-L742 VanDerWaalsContact C-N 3.35Å; D740-L742 PolarHBondContact O-N 3.36Å; D740-S743 WeakPolarHBondContact O-CB 3.45Å; D740-S743 PolarHBondContact O-N 2.79Å; D740-V744 WeakPolarHBondContact O-CG2 3.2Å; D740-V744 PolarHBondContact O-N 3.37Å
741A96.4Very high95.4Very high0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-64.7-37.6176.800000112.7L663 I716 V735 K737 L738 V744 F745L663-A741 HydrophobicContact CD1-CB 3.77Å; L663-A741 HydrophobicContact CD2-CB 4.4Å; I716-A741 HydrophobicContact CG2-CB 4.41Å; V735-A741 HydrophobicContact CB-CB 4.36Å; V735-A741 HydrophobicContact CG1-CB 4.11Å; V735-A741 HydrophobicContact CG2-CB 4.26Å; K737-A741 PolarHBondContact O-N 3.38Å; L738-A741 PolarHBondContact O-N 3.03Å; L738-A741 VanDerWaalsContact O-N 3.16Å; A741-V744 PolarHBondContact O-N 2.98Å; A741-F745 WeakPolarHBondContact O-CB 3.22Å; A741-F745 PolarHBondContact O-N 3.29Å
742L95.6Very high95.3Very high13 Ų1350.2 Ų50.27%0.06827%0.274CS..Hα-helixtrans-67.9-37.8174-66.4175.7000112.1L667 V670 L738 S739 D740 F745 D746L667-L742 HydrophobicContact CD2-CD2 4.21Å; V670-L742 HydrophobicContact CB-CD2 4.42Å; V670-L742 HydrophobicContact CG1-CD2 4.03Å; V670-L742 HydrophobicContact CG2-CD2 3.82Å; L738-L742 HydrophobicContact CD1-CG 4.43Å; L738-L742 HydrophobicContact CG-CD1 4.32Å; L738-L742 HydrophobicContact CG-CG 4.48Å; L738-L742 WeakPolarHBondContact O-CG 3.46Å; L738-L742 PolarHBondContact O-N 2.66Å; S739-L742 PolarHBondContact O-N 3.21Å; D740-L742 VanDerWaalsContact C-N 3.35Å; D740-L742 PolarHBondContact O-N 3.36Å; L742-F745 WeakPolarHBondContact O-CB 3.47Å; L742-F745 PolarHBondContact O-N 2.88Å; L742-D746 PolarHBondContact O-N 3.3Å
743S95.6Very high95.3Very high65 Ų6551.4 Ų51.446%0.45528%0.281SS..Hα-helixtrans-62-45.3173-171.40000111.2S739 D740 F745 D746 D747S739-S743 PolarHBondContact O-N 2.87Å; D740-S743 WeakPolarHBondContact O-CB 3.45Å; D740-S743 PolarHBondContact O-N 2.79Å; S743-F745 VanDerWaalsContact C-N 3.32Å; S743-F745 PolarHBondContact O-N 3.5Å; S743-D746 PolarHBondContact O-N 3Å; S743-D746 VanDerWaalsContact O-N 3.13Å; S743-D747 PolarHBondContact O-N 3.18Å; S743-D747 VanDerWaalsContact O-N 3.08Å
744V95.9Very high95.1Very high21 Ų2152 Ų5213%0.12729%0.287CS..Hα-helixtrans-63.5-39.8176.2176.10000111I716 F733 V735 D740 A741 D746 D747 L748I716-V744 HydrophobicContact CD1-CB 4.43Å; I716-V744 HydrophobicContact CD1-CG1 3.79Å; I716-V744 HydrophobicContact CG1-CG1 3.83Å; F733-V744 HydrophobicContact CB-CG1 3.9Å; F733-V744 HydrophobicContact CB-CG2 4.22Å; F733-V744 HydrophobicContact CD1-CG1 3.72Å; F733-V744 HydrophobicContact CD1-CG2 4.22Å; F733-V744 HydrophobicContact CD2-CG1 4.04Å; F733-V744 HydrophobicContact CE1-CG1 4.2Å; F733-V744 HydrophobicContact CE2-CG1 4.49Å; F733-V744 HydrophobicContact CG-CG1 3.62Å; F733-V744 HydrophobicContact CG-CG2 4.47Å; V735-V744 HydrophobicContact CG1-CG2 4.31Å; D740-V744 WeakPolarHBondContact O-CG2 3.2Å; D740-V744 PolarHBondContact O-N 3.37Å; A741-V744 PolarHBondContact O-N 2.98Å; V744-D746 VanDerWaalsContact C-N 3.27Å; V744-D746 PolarHBondContact O-N 3.08Å; V744-D747 PolarHBondContact O-N 3.46Å; V744-L748 HydrophobicContact CG1-CD1 3.88Å; V744-L748 HydrophobicContact CG1-CG 4.24Å; V744-L748 WeakPolarHBondContact O-CB 3.5Å; V744-L748 VanDerWaalsContact O-CG 3.23Å; V744-L748 WeakPolarHBondContact O-CG 3.44Å; V744-L748 PolarHBondContact O-N 3.01Å; V744-L748 VanDerWaalsContact O-N 3.15Å
745F94.2Very high95Very high2 Ų252.9 Ų52.91%0.00928%0.278CS..Hα-helixtrans-57.4-40.7172.5172.3-83.1000111.9L667 V670 R676 L678 A741 L742 S743 L748L667-F745 HydrophobicContact CD2-CB 4.23Å; L667-F745 HydrophobicContact CD2-CD2 4.37Å; V670-F745 HydrophobicContact CG1-CD1 4.19Å; V670-F745 HydrophobicContact CG1-CE1 3.95Å; V670-F745 HydrophobicContact CG1-CE2 4.44Å; V670-F745 HydrophobicContact CG1-CZ 4.1Å; R676-F745 HydrophobicContact CB-CZ 4.16Å; R676-F745 HydrophobicContact CG-CZ 4.36Å; L678-F745 HydrophobicContact CD2-CD2 3.38Å; L678-F745 HydrophobicContact CD2-CE2 3.56Å; L678-F745 HydrophobicContact CG-CD2 4.22Å; L678-F745 HydrophobicContact CG-CE2 3.95Å; A741-F745 WeakPolarHBondContact O-CB 3.22Å; A741-F745 PolarHBondContact O-N 3.29Å; L742-F745 WeakPolarHBondContact O-CB 3.47Å; L742-F745 PolarHBondContact O-N 2.88Å; S743-F745 VanDerWaalsContact C-N 3.32Å; S743-F745 PolarHBondContact O-N 3.5Å; F745-L748 PolarHBondContact O-N 3.31Å
746D92.6Very high94.8Very high63 Ų6356.8 Ų56.834%0.33730%0.299SS..Hα-helixtrans-72.7-28.6-178.8-78.8-35.8000113.6R674 R676 L742 S743 V744R674-D746 IonicContact CZ-OD1 3.78Å; R674-D746 IonicContact CZ-OD2 3.91Å; R674-D746 IonicContact NH1-OD1 2.74Å; R674-D746 PolarHBondContact NH1-OD1 3.49Å; R674-D746 IonicContact NH1-OD2 2.66Å; R674-D746 PolarHBondContact NH1-OD2 3.12Å; R676-D746 VanDerWaalsContact CZ-O 3.27Å; R676-D746 PolarHBondContact NH1-O 2.89Å; R676-D746 IonicContact NH1-OD1 3.56Å; R676-D746 PolarHBondContact NH2-O 3.35Å; L742-D746 PolarHBondContact O-N 3.3Å; S743-D746 PolarHBondContact O-N 3Å; S743-D746 VanDerWaalsContact O-N 3.13Å; V744-D746 VanDerWaalsContact C-N 3.27Å; V744-D746 PolarHBondContact O-N 3.08Å
747D92.3Very high94.5Very high130 Ų13049 Ų4970%0.69527%0.269SS*.Hα-helixtrans-79.4-23.3176.6-67.2-26.6000113.5S743 V744S743-D747 PolarHBondContact O-N 3.18Å; S743-D747 VanDerWaalsContact O-N 3.08Å; V744-D747 PolarHBondContact O-N 3.46Å
748L88.6Confident94.3Very high47 Ų4742.1 Ų42.125%0.24624%0.244CC..  trans-84.80-177.6-76.2175.6000113.4R676 P679 L682 I716 F733 V744 F745R676-L748 PolarHBondContact NE-OXT 2.95Å; R676-L748 PolarHBondContact NH2-OXT 3.34Å; P679-L748 HydrophobicContact CG-CB 4.29Å; L682-L748 HydrophobicContact CD1-CD1 4.34Å; L682-L748 HydrophobicContact CD2-CD1 4.04Å; I716-L748 HydrophobicContact CD1-CD1 4.04Å; F733-L748 HydrophobicContact CE2-CD2 4.14Å; F733-L748 HydrophobicContact CZ-CD2 4.03Å; V744-L748 HydrophobicContact CG1-CD1 3.88Å; V744-L748 HydrophobicContact CG1-CG 4.24Å; V744-L748 WeakPolarHBondContact O-CB 3.5Å; V744-L748 VanDerWaalsContact O-CG 3.23Å; V744-L748 WeakPolarHBondContact O-CG 3.44Å; V744-L748 PolarHBondContact O-N 3.01Å; V744-L748 VanDerWaalsContact O-N 3.15Å; F745-L748 PolarHBondContact O-N 3.31Å

Retrieved 748 of 748 residues in 1789.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).