A0A077Z029_TRITR Loading...

Succinate-semialdehyde dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z029, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.7Low94.1Very high86 Ų8647.1 Ų47.142%0.42424%0.239SC..  0124.90-77.2174.6163.300107.8F3 L4 E92 L93 R96M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.41Å; M1-L4 HydrophobicContact CB-CB 4.04Å; M1-L4 PolarHBondContact O-N 3.14Å; M1-E92 HydrophobicContact CE-CB 3.75Å; M1-L93 HydrophobicContact SD-CB 4.39Å; M1-L93 HydrophobicContact SD-CD1 4.24Å; M1-R96 VanDerWaalsContact CE-CZ 3.46Å; M1-R96 VanDerWaalsContact CE-NE 3.28Å
2S85.6Confident94.5Very high78 Ų7845.1 Ų45.155%0.54524%0.239SC..THydrogen-bonded Turntrans-67.4-24.7-174.962.90000114.7Q89S2-Q89 PolarHBondContact OG-NE2 3.11Å; S2-Q89 PolarHBondContact OG-OE1 3.04Å
3F95.2Very high94.8Very high20 Ų2051.3 Ų51.39%0.08826%0.262CS..THydrogen-bonded Turntrans-93.9-3.6179.5-63.9-64.8000114.5M1 K5 N86 Q89 L90 L93 A191 A194 I195M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.41Å; F3-K5 PolarHBondContact O-N 3.44Å; F3-N86 HydrophobicContact CE2-CB 3.6Å; F3-N86 WeakPolarHBondContact CE2-OD1 3.41Å; F3-N86 HydrophobicContact CZ-CB 3.8Å; F3-N86 VanDerWaalsContact CZ-CG 3.45Å; F3-N86 WeakPolarHBondContact CZ-OD1 3.38Å; F3-Q89 HydrophobicContact CD2-CB 4.41Å; F3-Q89 HydrophobicContact CD2-CG 4.32Å; F3-L90 HydrophobicContact CB-CD2 3.97Å; F3-L90 HydrophobicContact CD1-CD2 4.22Å; F3-L90 HydrophobicContact CD2-CD2 3.68Å; F3-L90 HydrophobicContact CD2-CG 4.09Å; F3-L90 HydrophobicContact CE2-CD2 4.3Å; F3-L90 HydrophobicContact CE2-CG 4.38Å; F3-L90 HydrophobicContact CG-CD2 3.67Å; F3-L93 HydrophobicContact CB-CD2 4.35Å; F3-A191 HydrophobicContact CB-CB 4.02Å; F3-A194 HydrophobicContact CD1-CB 4.21Å; F3-I195 HydrophobicContact CD1-CD1 4.15Å; F3-I195 HydrophobicContact CD1-CG1 4.5Å; F3-I195 HydrophobicContact CE1-CD1 3.37Å; F3-I195 HydrophobicContact CE1-CG1 4.15Å; F3-I195 HydrophobicContact CZ-CD1 3.69Å
4L97.6Very high95.1Very high48 Ų4851.6 Ų51.625%0.25126%0.259SS..  trans-73.7114.5174-169.6163.9000107.8M1 E6 F34 A35 L93M1-L4 HydrophobicContact CB-CB 4.04Å; M1-L4 PolarHBondContact O-N 3.14Å; L4-E6 HydrophobicContact CD2-CG 3.67Å; L4-F34 HydrophobicContact CD1-CD2 4.42Å; L4-F34 HydrophobicContact CD1-CE2 4.49Å; L4-A35 HydrophobicContact CD2-CB 4.35Å; L4-L93 HydrophobicContact CB-CD1 4.37Å; L4-L93 HydrophobicContact CD1-CD1 4.45Å; L4-L93 HydrophobicContact CG-CD1 4.36Å
5K97.9Very high95.3Very high62 Ų6251.1 Ų51.127%0.2726%0.26SS..  trans-123.3125.4-177.7-63.7-73.1-175.2173.50109F3 W14 L187 L190 A194F3-K5 PolarHBondContact O-N 3.44Å; K5-W14 HydrophobicContact CB-CE3 4.11Å; K5-W14 HydrophobicContact CB-CH2 3.79Å; K5-W14 HydrophobicContact CB-CZ3 3.46Å; K5-W14 VanDerWaalsContact CB-CZ3 3.46Å; K5-W14 HydrophobicContact CD-CD2 4.32Å; K5-W14 HydrophobicContact CD-CE3 4.28Å; K5-W14 HydrophobicContact CD-CH2 3.92Å; K5-W14 HydrophobicContact CD-CZ2 3.95Å; K5-W14 HydrophobicContact CD-CZ3 4.08Å; K5-W14 HydrophobicContact CG-CE3 4.35Å; K5-W14 HydrophobicContact CG-CH2 3.48Å; K5-W14 VanDerWaalsContact CG-CH2 3.48Å; K5-W14 HydrophobicContact CG-CZ2 3.98Å; K5-W14 HydrophobicContact CG-CZ3 3.69Å; K5-L187 WeakPolarHBondContact O-CD2 3.32Å; K5-L190 HydrophobicContact CB-CB 4.05Å; K5-L190 WeakPolarHBondContact O-CD1 3.32Å; K5-A194 HydrophobicContact CG-CB 4.47Å
6E97.8Very high95.5Very high92 Ų9252.1 Ų52.143%0.4327%0.266SS..  trans-105.632.6-179-68.1-170.9138.700111.5L4 A35 H36 P38L4-E6 HydrophobicContact CD2-CG 3.67Å; E6-A35 HydrophobicContact CG-CB 4.46Å; E6-A35 WeakPolarHBondContact OE1-CA 3.3Å; E6-A35 WeakPolarHBondContact OE1-CB 3.12Å; E6-H36 WeakPolarHBondContact CB-O 3.18Å; E6-H36 VanDerWaalsContact CG-O 3.23Å; E6-H36 WeakPolarHBondContact CG-O 3.47Å; E6-H36 PolarHBondContact OE1-N 3.28Å; E6-P38 WeakPolarHBondContact O-CD 3.12Å
7K98.6Very high95.7Very high74 Ų7449.1 Ų49.132%0.32225%0.251SS..SBendtrans-138.5149.8178.6-75.7-174.7-176.8-72.80109.7W14 V15 D16 L190K7-W14 HydrophobicContact CB-CB 4.04Å; K7-W14 HydrophobicContact CB-CE3 4.04Å; K7-W14 HydrophobicContact CD-CB 3.96Å; K7-W14 WeakPolarHBondContact O-CZ3 3.32Å; K7-V15 WeakPolarHBondContact CB-O 3.25Å; K7-D16 IonicContact NZ-OD1 4Å; K7-D16 PolarHBondContact NZ-OD1 2.65Å; K7-D16 IonicContact NZ-OD2 3.66Å; K7-D16 PolarHBondContact NZ-OD2 3.25Å; K7-L190 WeakPolarHBondContact O-CD1 3.16Å; K7-L190 VanDerWaalsContact O-CD2 3.27Å; K7-L190 WeakPolarHBondContact O-CD2 3.41Å
8A98.8Very high95.8Very high0 Ų051.8 Ų51.80%027%0.265CS..EExtended strand (participates in β ladder)trans-71.6160.7170.100000109.9W14 V15A8-W14 CarbonylContact O-C 3.58Å; A8-W14 WeakPolarHBondContact O-CA 3.09Å; A8-V15 HydrophobicContact CB-CG2 4.12Å; A8-V15 PolarHBondContact N-O 3.39Å; A8-V15 PolarHBondContact O-N 2.88Å
9F98.8Very high95.9Very high10 Ų1053 Ų534%0.04428%0.275CS..EExtended strand (participates in β ladder)trans-119.6105.5-179.9-170.5-102.7000110K13 W14 A193 E197 F206 N207 V208F9-K13 WeakPolarHBondContact CA-O 3.37Å; F9-W14 HydrophobicContact CB-CE3 4.41Å; F9-W14 HydrophobicContact CB-CH2 4.47Å; F9-W14 HydrophobicContact CB-CZ3 4.2Å; F9-W14 AromaticContact CD2-CD2 3.9Å; F9-W14 HydrophobicContact CD2-CD2 3.9Å; F9-W14 AromaticContact CD2-CE2 3.68Å; F9-W14 HydrophobicContact CD2-CE3 4.21Å; F9-W14 HydrophobicContact CD2-CG 4.4Å; F9-W14 HydrophobicContact CD2-CH2 4.14Å; F9-W14 AromaticContact CD2-CZ2 3.82Å; F9-W14 HydrophobicContact CD2-CZ2 3.82Å; F9-W14 HydrophobicContact CD2-CZ3 4.33Å; F9-W14 HydrophobicContact CE2-CZ2 4.21Å; F9-W14 AromaticContact CE2-NE1 4Å; F9-A193 HydrophobicContact CB-CB 3.78Å; F9-A193 HydrophobicContact CD1-CB 3.77Å; F9-A193 HydrophobicContact CD2-CB 4.28Å; F9-A193 HydrophobicContact CE1-CB 4.37Å; F9-A193 HydrophobicContact CG-CB 3.69Å; F9-E197 HydrophobicContact CE2-CB 4.33Å; F9-E197 HydrophobicContact CZ-CB 4.17Å; F9-F206 WeakPolarHBondContact CD1-O 3.36Å; F9-F206 WeakPolarHBondContact CE1-O 3.39Å; F9-N207 CarbonylContact O-C 3.48Å; F9-N207 WeakPolarHBondContact O-CA 3.5Å; F9-V208 HydrophobicContact CB-CB 4.4Å; F9-V208 PolarHBondContact N-O 2.87Å; F9-V208 PolarHBondContact O-N 2.85Å
10I98.8Very high96Very high13 Ų1357 Ų577%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-132.3129.6-176.9-57.7178.3000108.7G12 K13 V15 A48 I209I10-G12 VanDerWaalsContact C-N 3.28Å; I10-G12 PolarHBondContact O-N 2.56Å; I10-K13 PolarHBondContact N-O 3.27Å; I10-K13 PolarHBondContact O-N 3.31Å; I10-V15 HydrophobicContact CB-CG2 4.23Å; I10-V15 HydrophobicContact CD1-CG2 4.02Å; I10-V15 HydrophobicContact CG1-CG2 4.11Å; I10-A48 HydrophobicContact CD1-CB 4.3Å; I10-A48 HydrophobicContact CG1-CB 4.3Å; I10-A48 HydrophobicContact CG2-CB 4.22Å; I10-I209 HydrophobicContact CD1-CG2 3.9Å; I10-I209 HydrophobicContact CG1-CG2 4.1Å
11N98.4Very high96.1Very high35 Ų3556 Ų5619%0.18729%0.292CS..THydrogen-bonded Turntrans53.241.2178.4-161.378.9000113.8K13 S51 E203 N207N11-K13 PolarHBondContact O-N 2.8Å; N11-S51 WeakPolarHBondContact CB-OG 3.02Å; N11-E203 PolarHBondContact ND2-OE2 3.45Å; N11-N207 PolarHBondContact N-OD1 3.41Å
12G98.2Very high97.6Very high23 Ų2355.8 Ų55.824%0.23730%0.296CS..THydrogen-bonded Turntrans69.816.2-178.300000114.7I10I10-G12 VanDerWaalsContact C-N 3.28Å; I10-G12 PolarHBondContact O-N 2.56Å
13K98.5Very high98.2Very high126 Ų12653.1 Ų53.155%0.54827%0.274SS..EExtended strand (participates in β ladder)trans-125.4142.6-179.7-62.4-178.4-178.1-178.20111.2F9 I10 N11 V15F9-K13 WeakPolarHBondContact CA-O 3.37Å; I10-K13 PolarHBondContact N-O 3.27Å; I10-K13 PolarHBondContact O-N 3.31Å; N11-K13 PolarHBondContact O-N 2.8Å; K13-V15 HydrophobicContact CB-CG1 4.05Å
14W98.7Very high98.3Very high55 Ų5554 Ų5421%0.20829%0.285CS..EExtended strand (participates in β ladder)trans-82.7114169.7-64.597.8000109.6K5 K7 A8 F9 L190 A193 A194 E197K5-W14 HydrophobicContact CB-CE3 4.11Å; K5-W14 HydrophobicContact CB-CH2 3.79Å; K5-W14 HydrophobicContact CB-CZ3 3.46Å; K5-W14 VanDerWaalsContact CB-CZ3 3.46Å; K5-W14 HydrophobicContact CD-CD2 4.32Å; K5-W14 HydrophobicContact CD-CE3 4.28Å; K5-W14 HydrophobicContact CD-CH2 3.92Å; K5-W14 HydrophobicContact CD-CZ2 3.95Å; K5-W14 HydrophobicContact CD-CZ3 4.08Å; K5-W14 HydrophobicContact CG-CE3 4.35Å; K5-W14 HydrophobicContact CG-CH2 3.48Å; K5-W14 VanDerWaalsContact CG-CH2 3.48Å; K5-W14 HydrophobicContact CG-CZ2 3.98Å; K5-W14 HydrophobicContact CG-CZ3 3.69Å; K7-W14 HydrophobicContact CB-CB 4.04Å; K7-W14 HydrophobicContact CB-CE3 4.04Å; K7-W14 HydrophobicContact CD-CB 3.96Å; K7-W14 WeakPolarHBondContact O-CZ3 3.32Å; A8-W14 CarbonylContact O-C 3.58Å; A8-W14 WeakPolarHBondContact O-CA 3.09Å; F9-W14 HydrophobicContact CB-CE3 4.41Å; F9-W14 HydrophobicContact CB-CH2 4.47Å; F9-W14 HydrophobicContact CB-CZ3 4.2Å; F9-W14 AromaticContact CD2-CD2 3.9Å; F9-W14 HydrophobicContact CD2-CD2 3.9Å; F9-W14 AromaticContact CD2-CE2 3.68Å; F9-W14 HydrophobicContact CD2-CE3 4.21Å; F9-W14 HydrophobicContact CD2-CG 4.4Å; F9-W14 HydrophobicContact CD2-CH2 4.14Å; F9-W14 AromaticContact CD2-CZ2 3.82Å; F9-W14 HydrophobicContact CD2-CZ2 3.82Å; F9-W14 HydrophobicContact CD2-CZ3 4.33Å; F9-W14 HydrophobicContact CE2-CZ2 4.21Å; F9-W14 AromaticContact CE2-NE1 4Å; W14-L190 WeakPolarHBondContact CH2-O 3.26Å; W14-L190 HydrophobicContact CZ3-CB 4.29Å; W14-L190 HydrophobicContact CZ3-CD2 4.22Å; W14-A193 HydrophobicContact CH2-CB 4.04Å; W14-A194 HydrophobicContact CH2-CB 4.16Å; W14-A194 HydrophobicContact CZ2-CB 3.83Å; W14-E197 PolarHBondContact NE1-OE1 2.88Å; W14-E197 PolarHBondContact NE1-OE2 2.83Å
15V98.6Very high98.4Very high45 Ų4551.8 Ų51.827%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-128.3150.4-172.5-58.70000112K7 A8 I10 K13K7-V15 WeakPolarHBondContact CB-O 3.25Å; A8-V15 HydrophobicContact CB-CG2 4.12Å; A8-V15 PolarHBondContact N-O 3.39Å; A8-V15 PolarHBondContact O-N 2.88Å; I10-V15 HydrophobicContact CB-CG2 4.23Å; I10-V15 HydrophobicContact CD1-CG2 4.02Å; I10-V15 HydrophobicContact CG1-CG2 4.11Å; K13-V15 HydrophobicContact CB-CG1 4.05Å
16D98.7Very high98.4Very high67 Ų6754.5 Ų54.536%0.35829%0.286SS..  trans-75.6162.3165.6-55.4-58.6000109.8K7K7-D16 IonicContact NZ-OD1 4Å; K7-D16 PolarHBondContact NZ-OD1 2.65Å; K7-D16 IonicContact NZ-OD2 3.66Å; K7-D16 PolarHBondContact NZ-OD2 3.25Å
17A98.4Very high98.4Very high1 Ų150.8 Ų50.81%0.00827%0.269CS..  trans-62.6146169.800000109.2T19 Q20 P38 D44A17-T19 PolarHBondContact O-N 3.22Å; A17-Q20 WeakPolarHBondContact O-CA 3.42Å; A17-Q20 PolarHBondContact O-N 3.39Å; A17-Q20 PolarHBondContact O-NE2 3.02Å; A17-P38 HydrophobicContact CB-CB 3.84Å; A17-D44 WeakPolarHBondContact CA-OD1 3.31Å
18I98.1Very high98.4Very high98 Ų9847.5 Ų47.550%0.50326%0.255SS..THydrogen-bonded Turntrans-54.9-37.4177.5-71.7166.6000111.3Q20 D43 D44I18-Q20 PolarHBondContact O-N 3.09Å; I18-D43 HydrophobicContact CD1-CB 3.76Å; I18-D44 WeakPolarHBondContact CG1-OD1 3.45Å; I18-D44 PolarHBondContact N-OD1 2.72Å
19T97.5Very high98.4Very high74 Ų7448.2 Ų48.245%0.45426%0.261SS..THydrogen-bonded Turntrans-76.2-6.2177.359.90000114.1A17 A21A17-T19 PolarHBondContact O-N 3.22Å; T19-A21 PolarHBondContact O-N 3.49Å; T19-A21 WeakPolarHBondContact OG1-CB 3.4Å; T19-A21 PolarHBondContact OG1-N 3.07Å
20Q98Very high98.4Very high132 Ų13252 Ų5262%0.61728%0.282SS*.  trans59.96.7-169.8-55.7-66.3-67.100114.4A17 I18A17-Q20 WeakPolarHBondContact O-CA 3.42Å; A17-Q20 PolarHBondContact O-N 3.39Å; A17-Q20 PolarHBondContact O-NE2 3.02Å; I18-Q20 PolarHBondContact O-N 3.09Å
21A98.2Very high98.3Very high36 Ų3655.4 Ų55.430%0.29830%0.3SS..  trans-70.9145.5177.500000110.8T19 N39T19-A21 PolarHBondContact O-N 3.49Å; T19-A21 WeakPolarHBondContact OG1-CB 3.4Å; T19-A21 PolarHBondContact OG1-N 3.07Å; A21-N39 HydrophobicContact CB-CB 4.03Å; A21-N39 PolarHBondContact O-N 3.44Å
22V98.6Very high98.3Very high83 Ų8356.1 Ų56.150%0.50331%0.308SS..EExtended strand (participates in β ladder)trans-130.9157.7174.7-61.80000109.8H36 V37V22-H36 HydrophobicContact CB-CB 4.32Å; V22-H36 HydrophobicContact CG2-CB 4.28Å; V22-V37 CarbonylContact C-O 3.55Å; V22-V37 WeakPolarHBondContact CA-O 3.34Å; V22-V37 WeakPolarHBondContact CB-O 3.47Å
23F98.5Very high98.3Very high21 Ų2157.7 Ų57.79%0.09232%0.318CS..EExtended strand (participates in β ladder)trans-130.1151169.768.1-89000110.9H36 V37 P38 N39 E183 P186 P210 D212F23-H36 WeakPolarHBondContact O-CA 3.31Å; F23-V37 HydrophobicContact CD1-CG2 3.97Å; F23-V37 HydrophobicContact CD2-CG2 4.06Å; F23-V37 HydrophobicContact CE1-CG2 3.44Å; F23-V37 VanDerWaalsContact CE1-CG2 3.44Å; F23-V37 HydrophobicContact CE2-CG2 3.51Å; F23-V37 HydrophobicContact CG-CG2 4.28Å; F23-V37 HydrophobicContact CZ-CG2 3.19Å; F23-V37 PolarHBondContact N-O 3.14Å; F23-V37 PolarHBondContact O-N 3.43Å; F23-P38 WeakPolarHBondContact CE1-O 3.47Å; F23-N39 HydrophobicContact CD1-CB 3.8Å; F23-E183 HydrophobicContact CE2-CB 4.31Å; F23-E183 WeakPolarHBondContact CE2-O 3.47Å; F23-P186 HydrophobicContact CE2-CG 4.1Å; F23-P186 HydrophobicContact CZ-CB 4.41Å; F23-P186 HydrophobicContact CZ-CG 4.13Å; F23-P210 HydrophobicContact CE1-CB 4.24Å; F23-P210 HydrophobicContact CZ-CB 4.2Å; F23-D212 HydrophobicContact CB-CB 4.17Å; F23-D212 HydrophobicContact CD1-CB 4.02Å; F23-D212 HydrophobicContact CD2-CB 4.27Å; F23-D212 HydrophobicContact CE1-CB 4.45Å; F23-D212 HydrophobicContact CG-CB 3.9Å
24A98.3Very high98.2Very high39 Ų3954 Ų5432%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-79.7134.6-177.800000111.7A33 A35A24-A33 HydrophobicContact CB-CB 3.95Å; A24-A35 WeakPolarHBondContact CA-O 3.28Å
25V98.6Very high98.2Very high1 Ų151.4 Ų51.41%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-94.9125.5166.7-173.20000108A33 F34 A35 V37 E97 P186 L187V25-A33 WeakPolarHBondContact O-CA 3Å; V25-F34 HydrophobicContact CG1-CE1 3.94Å; V25-F34 HydrophobicContact CG1-CZ 3.98Å; V25-F34 PolarHBondContact O-N 3.5Å; V25-F34 VanDerWaalsContact O-N 3.1Å; V25-A35 HydrophobicContact CB-CB 4.37Å; V25-A35 PolarHBondContact N-O 2.98Å; V25-V37 HydrophobicContact CG2-CG1 3.97Å; V25-V37 HydrophobicContact CG2-CG2 3.98Å; V25-E97 HydrophobicContact CG1-CB 3.95Å; V25-P186 HydrophobicContact CG2-CG 3.47Å; V25-P186 VanDerWaalsContact CG2-CG 3.47Å; V25-L187 HydrophobicContact CB-CD1 4.21Å; V25-L187 HydrophobicContact CG1-CD1 3.91Å; V25-L187 HydrophobicContact CG1-CG 4.37Å; V25-L187 HydrophobicContact CG2-CD1 4.35Å; V25-L187 HydrophobicContact CG2-CG 4.24Å
26K98.4Very high98.2Very high120 Ų12053.7 Ų53.752%0.52230%0.3SS..EExtended strand (participates in β ladder)trans-105.3146.2-174.8-65-177.5-179-179.30111P28 S32K26-P28 WeakPolarHBondContact O-CD 3.1Å; K26-S32 CarbonylContact C-O 3.34Å; K26-S32 VanDerWaalsContact CA-O 3.26Å; K26-S32 WeakPolarHBondContact CA-O 3.5Å
27N98.6Very high98.2Very high14 Ų1450.5 Ų50.58%0.07528%0.283CS..  trans-81117.2167.9177.6-7.6000109.4A29 D30 N31 S32 F34 R96N27-A29 PolarHBondContact O-N 2.8Å; N27-A29 VanDerWaalsContact O-N 3.12Å; N27-A29 VanDerWaalsContact OD1-CB 3.28Å; N27-A29 WeakPolarHBondContact OD1-CB 3.03Å; N27-A29 PolarHBondContact OD1-N 2.79Å; N27-D30 WeakPolarHBondContact CB-OD1 3.44Å; N27-D30 PolarHBondContact O-N 2.84Å; N27-N31 WeakPolarHBondContact O-CA 3.47Å; N27-N31 PolarHBondContact O-N 2.79Å; N27-S32 PolarHBondContact N-O 2.96Å; N27-F34 HydrophobicContact CB-CD1 3.97Å; N27-F34 HydrophobicContact CB-CE1 4.27Å; N27-R96 WeakPolarHBondContact CA-O 3.22Å; N27-R96 WeakPolarHBondContact CB-O 3.34Å; N27-R96 PolarHBondContact OD1-O 2.89Å
28P98.5Very high98.2Very high4 Ų450.4 Ų50.43%0.02628%0.282CS..THydrogen-bonded Turntrans-63.3-19.2-178-25.237000114.2K26 R96 E97 P334 I336 N367K26-P28 WeakPolarHBondContact O-CD 3.1Å; P28-R96 WeakPolarHBondContact CD-O 3.25Å; P28-E97 VanDerWaalsContact CD-O 3.28Å; P28-E97 WeakPolarHBondContact CD-O 3.35Å; P28-E97 WeakPolarHBondContact CG-O 3.42Å; P28-P334 HydrophobicContact CB-CB 4.32Å; P28-P334 HydrophobicContact CB-CG 3.8Å; P28-I336 WeakPolarHBondContact CB-O 3.34Å; P28-I336 HydrophobicContact CG-CD1 3.97Å; P28-I336 WeakPolarHBondContact CG-O 3.43Å; P28-N367 WeakPolarHBondContact O-CB 3.35Å; P28-N367 PolarHBondContact O-ND2 2.96Å
29A98.4Very high98.2Very high15 Ų1546.2 Ų46.212%0.12426%0.261CS..THydrogen-bonded Turntrans-72.4-32.6-179.200000113.2N27 N324 P334 F368N27-A29 PolarHBondContact O-N 2.8Å; N27-A29 VanDerWaalsContact O-N 3.12Å; N27-A29 VanDerWaalsContact OD1-CB 3.28Å; N27-A29 WeakPolarHBondContact OD1-CB 3.03Å; N27-A29 PolarHBondContact OD1-N 2.79Å; A29-N324 HydrophobicContact CB-CB 4.28Å; A29-P334 HydrophobicContact CB-CG 4.22Å; A29-F368 HydrophobicContact CB-CZ 3.97Å; A29-F368 VanDerWaalsContact O-CE2 3.24Å; A29-F368 WeakPolarHBondContact O-CE2 3.41Å; A29-F368 WeakPolarHBondContact O-CZ 3.33Å
30D97.8Very high98.3Very high91 Ų9142.7 Ų42.749%0.48724%0.239SC..THydrogen-bonded Turntrans-134.5-1.7-175.760.820.7000113.9N27 S32N27-D30 WeakPolarHBondContact CB-OD1 3.44Å; N27-D30 PolarHBondContact O-N 2.84Å; D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 PolarHBondContact O-N 2.86Å; D30-S32 WeakPolarHBondContact OD1-CB 3.4Å; D30-S32 PolarHBondContact OD1-N 3.09Å; D30-S32 PolarHBondContact OD1-OG 2.82Å; D30-S32 PolarHBondContact OD2-OG 3.21Å
31N97.8Very high98.3Very high83 Ų8336.9 Ų36.944%0.44421%0.213SC..  trans60.812.4-174.1-60.3-73.3000115.3N27 N367N27-N31 WeakPolarHBondContact O-CA 3.47Å; N27-N31 PolarHBondContact O-N 2.79Å; N31-N367 PolarHBondContact OD1-ND2 3.05Å
32S97.9Very high98.3Very high51 Ų5140.2 Ų40.236%0.35722%0.221SC..  trans-67.5136.5176.4660000110.9K26 N27 D30 F34K26-S32 CarbonylContact C-O 3.34Å; K26-S32 VanDerWaalsContact CA-O 3.26Å; K26-S32 WeakPolarHBondContact CA-O 3.5Å; N27-S32 PolarHBondContact N-O 2.96Å; D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 PolarHBondContact O-N 2.86Å; D30-S32 WeakPolarHBondContact OD1-CB 3.4Å; D30-S32 PolarHBondContact OD1-N 3.09Å; D30-S32 PolarHBondContact OD1-OG 2.82Å; D30-S32 PolarHBondContact OD2-OG 3.21Å; S32-F34 PolarHBondContact O-N 2.76Å
33A97.8Very high98.3Very high55 Ų5541 Ų4146%0.45522%0.222SC..EExtended strand (participates in β ladder)trans-79.1115.9169.400000108.6A24 V25A24-A33 HydrophobicContact CB-CB 3.95Å; V25-A33 WeakPolarHBondContact O-CA 3Å
34F97.5Very high98.3Very high49 Ų4940.1 Ų40.122%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-113.3-7.9-175.874.4-90000113.8L4 V25 N27 S32 L93 R96 E97 L187L4-F34 HydrophobicContact CD1-CD2 4.42Å; L4-F34 HydrophobicContact CD1-CE2 4.49Å; V25-F34 HydrophobicContact CG1-CE1 3.94Å; V25-F34 HydrophobicContact CG1-CZ 3.98Å; V25-F34 PolarHBondContact O-N 3.5Å; V25-F34 VanDerWaalsContact O-N 3.1Å; N27-F34 HydrophobicContact CB-CD1 3.97Å; N27-F34 HydrophobicContact CB-CE1 4.27Å; S32-F34 PolarHBondContact O-N 2.76Å; F34-L93 HydrophobicContact CE2-CD1 4.37Å; F34-R96 HydrophobicContact CE1-CB 4.25Å; F34-R96 WeakPolarHBondContact CE1-O 3.36Å; F34-R96 HydrophobicContact CE2-CB 4.16Å; F34-R96 HydrophobicContact CZ-CB 3.86Å; F34-E97 HydrophobicContact CE1-CB 4.37Å; F34-E97 HydrophobicContact CZ-CB 3.94Å; F34-L187 HydrophobicContact CD2-CD1 4.46Å; F34-L187 HydrophobicContact CE2-CD1 3.38Å; F34-L187 HydrophobicContact CZ-CD1 3.51Å
35A98.2Very high98.3Very high1 Ų138.2 Ų38.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-153.1159.1173.800000110.8L4 E6 A24 V25 L187L4-A35 HydrophobicContact CD2-CB 4.35Å; E6-A35 HydrophobicContact CG-CB 4.46Å; E6-A35 WeakPolarHBondContact OE1-CA 3.3Å; E6-A35 WeakPolarHBondContact OE1-CB 3.12Å; A24-A35 WeakPolarHBondContact CA-O 3.28Å; V25-A35 HydrophobicContact CB-CB 4.37Å; V25-A35 PolarHBondContact N-O 2.98Å; A35-L187 HydrophobicContact CB-CD1 3.88Å; A35-L187 HydrophobicContact CB-CD2 4.2Å
36H98.5Very high98.3Very high92 Ų9240.4 Ų40.443%0.42622%0.216SC..EExtended strand (participates in β ladder)trans-125.2124.2170.7-63.277.3000109.1E6 V22 F23E6-H36 WeakPolarHBondContact CB-O 3.18Å; E6-H36 VanDerWaalsContact CG-O 3.23Å; E6-H36 WeakPolarHBondContact CG-O 3.47Å; E6-H36 PolarHBondContact OE1-N 3.28Å; V22-H36 HydrophobicContact CB-CB 4.32Å; V22-H36 HydrophobicContact CG2-CB 4.28Å; F23-H36 WeakPolarHBondContact O-CA 3.31Å
37V98.4Very high98.3Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-113.7155.2179.7-600000110.5V22 F23 V25 N39 P186 L187 L190 P210V22-V37 CarbonylContact C-O 3.55Å; V22-V37 WeakPolarHBondContact CA-O 3.34Å; V22-V37 WeakPolarHBondContact CB-O 3.47Å; F23-V37 HydrophobicContact CD1-CG2 3.97Å; F23-V37 HydrophobicContact CD2-CG2 4.06Å; F23-V37 HydrophobicContact CE1-CG2 3.44Å; F23-V37 VanDerWaalsContact CE1-CG2 3.44Å; F23-V37 HydrophobicContact CE2-CG2 3.51Å; F23-V37 HydrophobicContact CG-CG2 4.28Å; F23-V37 HydrophobicContact CZ-CG2 3.19Å; F23-V37 PolarHBondContact N-O 3.14Å; F23-V37 PolarHBondContact O-N 3.43Å; V25-V37 HydrophobicContact CG2-CG1 3.97Å; V25-V37 HydrophobicContact CG2-CG2 3.98Å; V37-N39 PolarHBondContact O-N 2.88Å; V37-P186 HydrophobicContact CG1-CG 4.23Å; V37-P186 HydrophobicContact CG2-CB 4.19Å; V37-P186 HydrophobicContact CG2-CG 3.68Å; V37-L187 HydrophobicContact CG1-CD2 3.45Å; V37-L187 VanDerWaalsContact CG1-CD2 3.45Å; V37-L187 HydrophobicContact CG1-CG 4.36Å; V37-L190 HydrophobicContact CG1-CD1 4.04Å; V37-P210 HydrophobicContact CG2-CB 4.16Å
38P98.6Very high98.4Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-59.5137.7178.9-26.237.5000111.9E6 A17 F23 C40E6-P38 WeakPolarHBondContact O-CD 3.12Å; A17-P38 HydrophobicContact CB-CB 3.84Å; F23-P38 WeakPolarHBondContact CE1-O 3.47Å; P38-C40 PolarHBondContact O-N 3.14Å
39N98.7Very high98.4Very high10 Ų1036.3 Ų36.35%0.05320%0.204CC..  trans-90.481.1171.8-162.36.3000108.9A21 F23 V37 S41 S211 D212 H215A21-N39 HydrophobicContact CB-CB 4.03Å; A21-N39 PolarHBondContact O-N 3.44Å; F23-N39 HydrophobicContact CD1-CB 3.8Å; V37-N39 PolarHBondContact O-N 2.88Å; N39-S41 PolarHBondContact O-N 3.46Å; N39-S211 WeakPolarHBondContact OD1-CA 3.21Å; N39-D212 PolarHBondContact ND2-OD1 3.33Å; N39-D212 VanDerWaalsContact ND2-OD1 3.16Å; N39-D212 PolarHBondContact ND2-OD2 2.95Å; N39-D212 VanDerWaalsContact ND2-OD2 3.17Å; N39-D212 PolarHBondContact OD1-N 3.26Å; N39-D212 PolarHBondContact OD1-OD1 3.09Å; N39-H215 PolarHBondContact OD1-CD2 2.98Å
40C98.8Very high98.4Very high0 Ų042.1 Ų42.10%023%0.226CC..  trans-59138.8179.9-68.50000110.8P38 D44 I209 P210 S211 H215 I219P38-C40 PolarHBondContact O-N 3.14Å; C40-D44 HydrophobicContact CB-CB 3.69Å; C40-I209 HydrophobicContact CB-CB 4.05Å; C40-P210 WeakPolarHBondContact CB-O 3.27Å; C40-P210 PolarHBondContact N-O 3.33Å; C40-P210 PolarHBondContact SG-O 2.78Å; C40-S211 WeakPolarHBondContact O-CB 3.29Å; C40-H215 WeakPolarHBondContact O-CB 3.5Å; C40-H215 PolarHBondContact O-CD2 3.27Å; C40-I219 WeakPolarHBondContact O-CD1 3.41Å
41S98.2Very high98.4Very high9 Ų938.6 Ų38.66%0.06321%0.209CC..  trans-101.5-173.7179.771.20000111.5N39 D43 D44 C45N39-S41 PolarHBondContact O-N 3.46Å; S41-D43 PolarHBondContact O-N 3.11Å; S41-D43 PolarHBondContact OG-N 3.29Å; S41-D44 WeakPolarHBondContact CB-OD2 3.39Å; S41-D44 PolarHBondContact N-OD2 2.82Å; S41-D44 PolarHBondContact O-N 2.83Å; S41-D44 PolarHBondContact OG-OD2 3.03Å; S41-C45 PolarHBondContact O-N 2.84Å; S41-C45 VanDerWaalsContact O-N 3.16Å
42K98.3Very high98.4Very high106 Ų10634.7 Ų34.746%0.46119%0.188SC..Hα-helixtrans-55.6-39169.2173.5170.5-179179.90112.4C45 V46 T222K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.46Å; K42-V46 HydrophobicContact CG-CG2 4.46Å; K42-V46 WeakPolarHBondContact O-CG2 3.4Å; K42-V46 PolarHBondContact O-N 3.01Å; K42-T222 HydrophobicContact CG-CG2 4.5Å; K42-T222 WeakPolarHBondContact CG-OG1 3.12Å
43D98.5Very high98.4Very high99 Ų9933.5 Ų33.553%0.52918%0.18SC..Hα-helixtrans-71.4-36.4-175.4-67-26.2000111.8I18 S41 C45 V46 S47I18-D43 HydrophobicContact CD1-CB 3.76Å; S41-D43 PolarHBondContact O-N 3.11Å; S41-D43 PolarHBondContact OG-N 3.29Å; D43-C45 VanDerWaalsContact C-N 3.32Å; D43-V46 PolarHBondContact O-N 2.94Å; D43-S47 WeakPolarHBondContact O-CB 3.04Å; D43-S47 PolarHBondContact O-N 3.31Å
44D98.7Very high98.3Very high3 Ų338 Ų382%0.01619%0.189CC..Hα-helixtrans-62.7-42.3172.2-58.8-84.2000110.7A17 I18 C40 S41 S47 A48A17-D44 WeakPolarHBondContact CA-OD1 3.31Å; I18-D44 WeakPolarHBondContact CG1-OD1 3.45Å; I18-D44 PolarHBondContact N-OD1 2.72Å; C40-D44 HydrophobicContact CB-CB 3.69Å; S41-D44 WeakPolarHBondContact CB-OD2 3.39Å; S41-D44 PolarHBondContact N-OD2 2.82Å; S41-D44 PolarHBondContact O-N 2.83Å; S41-D44 PolarHBondContact OG-OD2 3.03Å; D44-S47 WeakPolarHBondContact O-CB 3.04Å; D44-S47 PolarHBondContact O-N 3.19Å; D44-A48 PolarHBondContact O-N 3.26Å
45C98.8Very high98.2Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-60.6-47.7175177.30000111.9S41 K42 D43 S47 A48 I49 I209 I219 T222 F223S41-C45 PolarHBondContact O-N 2.84Å; S41-C45 VanDerWaalsContact O-N 3.16Å; K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.46Å; D43-C45 VanDerWaalsContact C-N 3.32Å; C45-S47 VanDerWaalsContact C-N 3.3Å; C45-S47 PolarHBondContact O-N 2.99Å; C45-A48 PolarHBondContact O-N 3.18Å; C45-I49 VanDerWaalsContact O-CG1 3.29Å; C45-I49 WeakPolarHBondContact O-CG1 2.97Å; C45-I49 PolarHBondContact O-N 3.17Å; C45-I209 HydrophobicContact CB-CD1 3.79Å; C45-I219 HydrophobicContact CB-CG1 4.16Å; C45-I219 HydrophobicContact CB-CG2 4.49Å; C45-T222 HydrophobicContact CB-CG2 4.45Å; C45-F223 WeakPolarHBondContact SG-CD1 3.23Å; C45-F223 WeakPolarHBondContact SG-CE1 3.3Å
46V98.7Very high98Very high46 Ų4638.1 Ų38.128%0.27919%0.191SC..Hα-helixtrans-60.3-40.8175.5170.80000111.3K42 D43 I49 K50 T222K42-V46 HydrophobicContact CG-CG2 4.46Å; K42-V46 WeakPolarHBondContact O-CG2 3.4Å; K42-V46 PolarHBondContact O-N 3.01Å; D43-V46 PolarHBondContact O-N 2.94Å; V46-I49 PolarHBondContact O-N 2.9Å; V46-K50 HydrophobicContact CG1-CD 4.25Å; V46-K50 WeakPolarHBondContact O-CG 3.47Å; V46-K50 PolarHBondContact O-N 3.29Å; V46-T222 HydrophobicContact CG2-CG2 3.95Å
47S98.6Very high97.7Very high49 Ų4940.5 Ų40.534%0.34320%0.2SC..Hα-helixtrans-60.4-48.2175.4-172.10000111.7D43 D44 C45 I49 K50 S51D43-S47 WeakPolarHBondContact O-CB 3.04Å; D43-S47 PolarHBondContact O-N 3.31Å; D44-S47 WeakPolarHBondContact O-CB 3.04Å; D44-S47 PolarHBondContact O-N 3.19Å; C45-S47 VanDerWaalsContact C-N 3.3Å; C45-S47 PolarHBondContact O-N 2.99Å; S47-I49 PolarHBondContact O-N 2.99Å; S47-K50 PolarHBondContact O-N 2.62Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.23Å
48A98.9Very high97.3Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-62.8-40.417800000113I10 D44 C45 S51 A52 V178 N207 I209I10-A48 HydrophobicContact CD1-CB 4.3Å; I10-A48 HydrophobicContact CG1-CB 4.3Å; I10-A48 HydrophobicContact CG2-CB 4.22Å; D44-A48 PolarHBondContact O-N 3.26Å; C45-A48 PolarHBondContact O-N 3.18Å; A48-S51 PolarHBondContact O-N 3.48Å; A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.95Å; A48-V178 HydrophobicContact CB-CG1 3.72Å; A48-V178 HydrophobicContact CB-CG2 4.27Å; A48-N207 HydrophobicContact CB-CB 4.18Å; A48-I209 HydrophobicContact CB-CG2 3.94Å
49I98.8Very high97.1Very high4 Ų444 Ų442%0.02122%0.219CC..Hα-helixtrans-61.9-43.7175.2-67.9165.1000110.9C45 V46 S47 S51 A52 S53 V178 T222 F223 D228 I229C45-I49 VanDerWaalsContact O-CG1 3.29Å; C45-I49 WeakPolarHBondContact O-CG1 2.97Å; C45-I49 PolarHBondContact O-N 3.17Å; V46-I49 PolarHBondContact O-N 2.9Å; S47-I49 PolarHBondContact O-N 2.99Å; I49-S51 VanDerWaalsContact C-N 3.35Å; I49-S51 PolarHBondContact O-N 2.72Å; I49-A52 PolarHBondContact O-N 3.48Å; I49-S53 WeakPolarHBondContact O-CB 3.18Å; I49-S53 PolarHBondContact O-N 3.3Å; I49-S53 PolarHBondContact O-OG 3.38Å; I49-V178 HydrophobicContact CG1-CG2 4.44Å; I49-T222 HydrophobicContact CD1-CG2 4.14Å; I49-F223 HydrophobicContact CD1-CD1 4.15Å; I49-F223 HydrophobicContact CD1-CE1 4.42Å; I49-D228 HydrophobicContact CG2-CB 3.7Å; I49-I229 HydrophobicContact CD1-CD1 3.61Å; I49-I229 HydrophobicContact CD1-CG1 4.38Å; I49-I229 HydrophobicContact CG1-CD1 3.93Å; I49-I229 HydrophobicContact CG1-CG1 4.34Å; I49-I229 HydrophobicContact CG2-CG1 4.43Å
50K98.5Very high96.2Very high137 Ų13743.6 Ų43.660%0.59622%0.217SC*.Hα-helixtrans-61.6-43.4176.8-74.8173.4179.6175.50111.6V46 S47 S53 K54V46-K50 HydrophobicContact CG1-CD 4.25Å; V46-K50 WeakPolarHBondContact O-CG 3.47Å; V46-K50 PolarHBondContact O-N 3.29Å; S47-K50 PolarHBondContact O-N 2.62Å; K50-S53 PolarHBondContact O-N 2.98Å; K50-K54 WeakPolarHBondContact O-CB 3.46Å; K50-K54 PolarHBondContact O-N 3.36Å
51S98.5Very high94.5Very high17 Ų1749.3 Ų49.312%0.11924%0.239CC..Hα-helixtrans-62.7-46.5175.7-67.50000112.3N11 S47 A48 I49 S53 K54 A55N11-S51 WeakPolarHBondContact CB-OG 3.02Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.23Å; A48-S51 PolarHBondContact O-N 3.48Å; I49-S51 VanDerWaalsContact C-N 3.35Å; I49-S51 PolarHBondContact O-N 2.72Å; S51-S53 VanDerWaalsContact C-N 3.34Å; S51-S53 PolarHBondContact O-N 3.18Å; S51-K54 PolarHBondContact O-N 2.93Å; S51-A55 WeakPolarHBondContact O-CB 3.27Å; S51-A55 PolarHBondContact O-N 3.26Å
52A98.4Very high92.6Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-61.6-40.5176.600000112.6A48 I49 A55 F56 V149 T176 V178 G204A48-A52 WeakPolarHBondContact O-CB 3.42Å; A48-A52 PolarHBondContact O-N 2.95Å; I49-A52 PolarHBondContact O-N 3.48Å; A52-A55 PolarHBondContact O-N 3.37Å; A52-F56 WeakPolarHBondContact O-CB 3.42Å; A52-F56 PolarHBondContact O-N 3.49Å; A52-V149 HydrophobicContact CB-CG1 3.7Å; A52-V149 HydrophobicContact CB-CG2 4.11Å; A52-T176 PolarHBondContact O-OG1 3.1Å; A52-V178 HydrophobicContact CB-CG2 3.73Å; A52-G204 VanDerWaalsContact CA-O 3.31Å; A52-G204 WeakPolarHBondContact CA-O 3.19Å
53S96.6Very high90.4Very high27 Ų2754 Ų5419%0.18927%0.27CS..Hα-helixtrans-65.9-40.2176.9-580000112.1I49 K50 S51I49-S53 WeakPolarHBondContact O-CB 3.18Å; I49-S53 PolarHBondContact O-N 3.3Å; I49-S53 PolarHBondContact O-OG 3.38Å; K50-S53 PolarHBondContact O-N 2.98Å; S51-S53 VanDerWaalsContact C-N 3.34Å; S51-S53 PolarHBondContact O-N 3.18Å
54K95.5Very high88.3Confident150 Ų15053 Ų5365%0.65227%0.267SS*.Hα-helixtrans-65.2-44.9174.6-176-178.4176.8-174.30111.1K50 S51 F56K50-K54 WeakPolarHBondContact O-CB 3.46Å; K50-K54 PolarHBondContact O-N 3.36Å; S51-K54 PolarHBondContact O-N 2.93Å; K54-F56 VanDerWaalsContact C-N 3.35Å
55A95.6Very high86.6Confident11 Ų1154.3 Ų54.39%0.09128%0.279CS..Hα-helixtrans-65.4-36.5179.200000112.4S51 A52 K57 N58 W59 T176 E203 G204 V205S51-A55 WeakPolarHBondContact O-CB 3.27Å; S51-A55 PolarHBondContact O-N 3.26Å; A52-A55 PolarHBondContact O-N 3.37Å; A55-K57 PolarHBondContact O-N 3.09Å; A55-K57 VanDerWaalsContact O-N 3.17Å; A55-N58 PolarHBondContact O-N 2.87Å; A55-W59 PolarHBondContact O-N 3.17Å; A55-T176 HydrophobicContact CB-CG2 4.11Å; A55-E203 WeakPolarHBondContact CB-O 3.42Å; A55-G204 VanDerWaalsContact CB-C 3.49Å; A55-V205 HydrophobicContact CB-CG2 4.16Å
56F95.3Very high85.6Confident40 Ų4062.1 Ų62.118%0.17531%0.312CS..Hα-helixtrans-55.1-36.1-179.8179.1-113.7000113A52 K54 N58 W59 G60 P146 G174 T176A52-F56 WeakPolarHBondContact O-CB 3.42Å; A52-F56 PolarHBondContact O-N 3.49Å; K54-F56 VanDerWaalsContact C-N 3.35Å; F56-N58 PolarHBondContact O-N 3.39Å; F56-W59 PolarHBondContact O-N 2.95Å; F56-G60 PolarHBondContact O-N 3.03Å; F56-P146 HydrophobicContact CE2-CB 4Å; F56-P146 HydrophobicContact CE2-CG 3.98Å; F56-P146 HydrophobicContact CZ-CB 4.4Å; F56-P146 HydrophobicContact CZ-CG 4.15Å; F56-G174 WeakPolarHBondContact CD2-O 3.44Å; F56-G174 VanDerWaalsContact CE2-O 3.31Å; F56-G174 WeakPolarHBondContact CE2-O 3.46Å; F56-T176 HydrophobicContact CB-CG2 4Å
57K91.5Very high84.9Confident142 Ų14260.9 Ų60.962%0.61731%0.305SS*.Hα-helixtrans-57.6-31.2177.3-63.2-176.3179.4-1770113.5A55 T64A55-K57 PolarHBondContact O-N 3.09Å; A55-K57 VanDerWaalsContact O-N 3.17Å; K57-T64 PolarHBondContact O-OG1 3.26Å
58N90.3Very high84.5Confident72 Ų7264 Ų6439%0.38532%0.317SS..Hα-helixtrans-99.1-29178.9-65.2-48.6000112.7A55 F56 K66A55-N58 PolarHBondContact O-N 2.87Å; F56-N58 PolarHBondContact O-N 3.39Å; N58-K66 PolarHBondContact O-N 3.23Å
59W93.8Very high84.2Confident2 Ų266.8 Ų66.81%0.00834%0.335CS..Hα-helixtrans-84.4-44.9-176.1-178.7-108.2000113.9A55 F56 V67 R72 F75 L171 G174 C175 T176 L201 P202 V205A55-W59 PolarHBondContact O-N 3.17Å; F56-W59 PolarHBondContact O-N 2.95Å; W59-V67 HydrophobicContact CE3-CB 4.2Å; W59-V67 HydrophobicContact CE3-CG1 4.04Å; W59-V67 HydrophobicContact CE3-CG2 4.08Å; W59-V67 HydrophobicContact CZ3-CB 4.5Å; W59-V67 HydrophobicContact CZ3-CG1 3.85Å; W59-V67 HydrophobicContact CZ3-CG2 4.49Å; W59-R72 HydrophobicContact CD2-CG 4.27Å; W59-R72 HydrophobicContact CE3-CG 4.23Å; W59-R72 HydrophobicContact CH2-CB 3.82Å; W59-R72 HydrophobicContact CH2-CG 3.55Å; W59-R72 HydrophobicContact CZ2-CB 3.86Å; W59-R72 VanDerWaalsContact CZ2-CD 3.43Å; W59-R72 HydrophobicContact CZ2-CG 3.56Å; W59-R72 HydrophobicContact CZ3-CG 3.9Å; W59-R72 PolarHBondContact O-NH1 3.22Å; W59-F75 AromaticContact CH2-CD2 3.99Å; W59-F75 HydrophobicContact CH2-CD2 3.99Å; W59-F75 AromaticContact CZ3-CD2 3.88Å; W59-F75 HydrophobicContact CZ3-CD2 3.88Å; W59-F75 HydrophobicContact CZ3-CE2 4.22Å; W59-L171 HydrophobicContact CZ2-CB 4.11Å; W59-L171 HydrophobicContact CZ2-CD2 4.48Å; W59-L171 WeakPolarHBondContact CZ2-O 3.39Å; W59-L171 PolarHBondContact NE1-O 2.7Å; W59-G174 VanDerWaalsContact CD1-O 3.22Å; W59-C175 PolarHBondContact NE1-O 3.2Å; W59-T176 HydrophobicContact CB-CG2 4.17Å; W59-T176 HydrophobicContact CG-CG2 4.27Å; W59-L201 HydrophobicContact CH2-CD1 4.05Å; W59-P202 HydrophobicContact CE3-CG 4.32Å; W59-P202 HydrophobicContact CZ3-CG 4.29Å; W59-V205 HydrophobicContact CB-CG2 4.06Å; W59-V205 HydrophobicContact CD2-CG1 3.83Å; W59-V205 HydrophobicContact CD2-CG2 3.98Å; W59-V205 HydrophobicContact CE3-CG1 4.27Å; W59-V205 HydrophobicContact CE3-CG2 4.04Å; W59-V205 HydrophobicContact CG-CG1 4.13Å; W59-V205 HydrophobicContact CG-CG2 4Å; W59-V205 HydrophobicContact CZ2-CG1 4.12Å
60G80Confident83.9Confident1 Ų173 Ų731%0.0136%0.361CS..THydrogen-bonded Turntrans-103.7-29.3-168.200000116.4F56 H62 P146 G174F56-G60 PolarHBondContact O-N 3.03Å; G60-H62 PolarHBondContact O-N 2.93Å; G60-P146 WeakPolarHBondContact O-CG 3.45Å; G60-G174 WeakPolarHBondContact CA-O 3.38Å
61Y62.2Low83.7Confident120 Ų12070.4 Ų70.447%0.47135%0.351SS..  trans-79.5111.6-158.2-170.1-100.6000115.8T63 T64 A65Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 WeakPolarHBondContact CE1-OG1 3.46Å; Y61-T63 PolarHBondContact O-N 3.23Å; Y61-T64 HydrophobicContact CD1-CG2 3.92Å; Y61-T64 WeakPolarHBondContact CD1-OG1 3.4Å; Y61-T64 HydrophobicContact CE1-CG2 3.93Å; Y61-T64 CarbonylContact O-C 3.54Å; Y61-T64 PolarHBondContact O-N 3.39Å; Y61-T64 VanDerWaalsContact O-N 3.07Å; Y61-A65 VanDerWaalsContact O-CA 3.23Å; Y61-A65 WeakPolarHBondContact O-CA 3.26Å; Y61-A65 WeakPolarHBondContact O-CB 3.48Å; Y61-A65 PolarHBondContact O-N 2.92Å
62H58.2Low83.6Confident99 Ų9970.1 Ų70.146%0.45835%0.348SS..THydrogen-bonded Turntrans-46.6-33.7-172.2-69.8-84.4000119.1G60 R144 Q145 P146G60-H62 PolarHBondContact O-N 2.93Å; H62-R144 PolarHBondContact CE1-O 2.79Å; H62-R144 PolarHBondContact NE2-O 2.94Å; H62-Q145 PolarHBondContact CD2-NE2 3.09Å; H62-Q145 WeakPolarHBondContact NE2-CA 3.13Å; H62-Q145 WeakPolarHBondContact NE2-CB 3.44Å; H62-P146 WeakPolarHBondContact NE2-CD 3.41Å
63T52.3Low83.5Confident115 Ų11570.1 Ų70.171%0.70635%0.348SS*.THydrogen-bonded Turntrans-103.5-6.7-177.564.30000114.2Y61Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 WeakPolarHBondContact CE1-OG1 3.46Å; Y61-T63 PolarHBondContact O-N 3.23Å
64T54.3Low83.5Confident78 Ų7871.3 Ų71.348%0.47936%0.36SS..THydrogen-bonded Turntrans-135.13.2176.773.70000113.7K57 Y61 K66K57-T64 PolarHBondContact O-OG1 3.26Å; Y61-T64 HydrophobicContact CD1-CG2 3.92Å; Y61-T64 WeakPolarHBondContact CD1-OG1 3.4Å; Y61-T64 HydrophobicContact CE1-CG2 3.93Å; Y61-T64 CarbonylContact O-C 3.54Å; Y61-T64 PolarHBondContact O-N 3.39Å; Y61-T64 VanDerWaalsContact O-N 3.07Å; T64-K66 PolarHBondContact O-N 3.45Å
65A64.9Low83.6Confident31 Ų3166.6 Ų66.626%0.25634%0.339SS..  trans-61.2123.5-179.500000107.1Y61Y61-A65 VanDerWaalsContact O-CA 3.23Å; Y61-A65 WeakPolarHBondContact O-CA 3.26Å; Y61-A65 WeakPolarHBondContact O-CB 3.48Å; Y61-A65 PolarHBondContact O-N 2.92Å
66K76.2Confident83.8Confident163 Ų16366.1 Ų66.171%0.70934%0.335SS*.SBendtrans-84.8-4.1176.2-60.8-171.4-179.3-175.30111.5N58 T64N58-K66 PolarHBondContact O-N 3.23Å; T64-K66 PolarHBondContact O-N 3.45Å
67V84.9Confident83.9Confident20 Ų2068.6 Ų68.612%0.12135%0.346CS..SBendtrans-121.4115.8-178.5-171.70000109.3W59 E71 R72 F75W59-V67 HydrophobicContact CE3-CB 4.2Å; W59-V67 HydrophobicContact CE3-CG1 4.04Å; W59-V67 HydrophobicContact CE3-CG2 4.08Å; W59-V67 HydrophobicContact CZ3-CB 4.5Å; W59-V67 HydrophobicContact CZ3-CG1 3.85Å; W59-V67 HydrophobicContact CZ3-CG2 4.49Å; V67-E71 WeakPolarHBondContact CA-OE2 3.29Å; V67-E71 HydrophobicContact CG1-CB 3.69Å; V67-R72 HydrophobicContact CG1-CG 3.72Å; V67-F75 HydrophobicContact CG1-CE2 4.42Å
68L90.3Very high84.3Confident114 Ų11466.7 Ų66.760%0.59734%0.337SS*.  trans-68.2154.6176.2-60.2177.9000110.7K70 E71 R72L68-K70 PolarHBondContact O-N 3.02Å; L68-E71 HydrophobicContact CB-CG 4.22Å; L68-E71 PolarHBondContact N-OE2 3.45Å; L68-E71 WeakPolarHBondContact O-CB 3.34Å; L68-E71 PolarHBondContact O-N 3.34Å; L68-R72 PolarHBondContact O-N 3.28Å
69T91.7Very high84.7Confident60 Ų6063.3 Ų63.337%0.36832%0.319SS..Hα-helixtrans-55.2-36.1174.359.40000112.7E71 R72 G73 A123T69-E71 VanDerWaalsContact C-N 3.35Å; T69-E71 PolarHBondContact O-N 3.05Å; T69-R72 PolarHBondContact O-N 3.06Å; T69-G73 PolarHBondContact O-N 2.87Å; T69-A123 WeakPolarHBondContact CB-O 3.45Å
70K93.5Very high84.9Confident133 Ų13363.3 Ų63.358%0.57832%0.32SS*.Hα-helixtrans-60.7-41.1173.7-178.5-176174.4-172.90112.4L68 G73 A74L68-K70 PolarHBondContact O-N 3.02Å; K70-G73 PolarHBondContact O-N 3.17Å; K70-A74 PolarHBondContact O-N 3.36Å
71E94.1Very high85.8Confident84 Ų8466.1 Ų66.139%0.39334%0.34SS..Hα-helixtrans-73-40.9-178.8-65.9171140.400110.7V67 L68 T69 G73 A74 F75V67-E71 WeakPolarHBondContact CA-OE2 3.29Å; V67-E71 HydrophobicContact CG1-CB 3.69Å; L68-E71 HydrophobicContact CB-CG 4.22Å; L68-E71 PolarHBondContact N-OE2 3.45Å; L68-E71 WeakPolarHBondContact O-CB 3.34Å; L68-E71 PolarHBondContact O-N 3.34Å; T69-E71 VanDerWaalsContact C-N 3.35Å; T69-E71 PolarHBondContact O-N 3.05Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.1Å; E71-A74 WeakPolarHBondContact O-CA 3.4Å; E71-A74 WeakPolarHBondContact O-CB 3.46Å; E71-A74 PolarHBondContact O-N 3.45Å; E71-F75 WeakPolarHBondContact O-CD2 3.45Å; E71-F75 PolarHBondContact O-N 3.46Å
72R95.3Very high87.6Confident10 Ų1062.1 Ų62.14%0.03833%0.326CS..Hα-helixtrans-54.5-48.2170.3-60.9-157.7-61.9-94.25.7111.2W59 V67 L68 T69 A74 F75 L76 L171 A172 A173W59-R72 HydrophobicContact CD2-CG 4.27Å; W59-R72 HydrophobicContact CE3-CG 4.23Å; W59-R72 HydrophobicContact CH2-CB 3.82Å; W59-R72 HydrophobicContact CH2-CG 3.55Å; W59-R72 HydrophobicContact CZ2-CB 3.86Å; W59-R72 VanDerWaalsContact CZ2-CD 3.43Å; W59-R72 HydrophobicContact CZ2-CG 3.56Å; W59-R72 HydrophobicContact CZ3-CG 3.9Å; W59-R72 PolarHBondContact O-NH1 3.22Å; V67-R72 HydrophobicContact CG1-CG 3.72Å; L68-R72 PolarHBondContact O-N 3.28Å; T69-R72 PolarHBondContact O-N 3.06Å; R72-A74 VanDerWaalsContact C-N 3.28Å; R72-A74 PolarHBondContact O-N 3Å; R72-F75 PolarHBondContact O-N 3.32Å; R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.26Å; R72-L76 VanDerWaalsContact O-N 3.13Å; R72-L171 WeakPolarHBondContact CD-O 3.46Å; R72-A172 PolarHBondContact NE-O 2.81Å; R72-A172 VanDerWaalsContact NE-O 3.13Å; R72-A172 PolarHBondContact NH2-O 2.82Å; R72-A172 VanDerWaalsContact NH2-O 3.12Å; R72-A173 PolarHBondContact NH2-O 3.35Å
73G96.5Very high89.5Confident1 Ų157.4 Ų57.41%0.0130%0.304CS..Hα-helixtrans-61.4-33.7175.700000113.9T69 K70 E71 K77 G120T69-G73 PolarHBondContact O-N 2.87Å; K70-G73 PolarHBondContact O-N 3.17Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.1Å; G73-K77 WeakPolarHBondContact O-CE 3.41Å; G73-K77 WeakPolarHBondContact O-CG 3.31Å; G73-K77 PolarHBondContact O-N 2.92Å; G73-K77 VanDerWaalsContact O-N 3.11Å; G73-G120 WeakPolarHBondContact CA-O 3.41Å
74A97.6Very high91.7Very high52 Ų5255.2 Ų55.243%0.4329%0.288SS..Hα-helixtrans-68.5-41.7175.300000112.5K70 E71 R72 K77 K78K70-A74 PolarHBondContact O-N 3.36Å; E71-A74 WeakPolarHBondContact O-CA 3.4Å; E71-A74 WeakPolarHBondContact O-CB 3.46Å; E71-A74 PolarHBondContact O-N 3.45Å; R72-A74 VanDerWaalsContact C-N 3.28Å; R72-A74 PolarHBondContact O-N 3Å; A74-K77 PolarHBondContact O-N 3.38Å; A74-K78 WeakPolarHBondContact O-CB 3.45Å; A74-K78 PolarHBondContact O-N 3.48Å
75F97.9Very high93.8Very high51 Ų5156.9 Ų56.922%0.22429%0.294CS..Hα-helixtrans-59.5-46.7174.1-75.4-64.5000111.9W59 V67 E71 R72 K78 W79 G200 L201W59-F75 AromaticContact CH2-CD2 3.99Å; W59-F75 HydrophobicContact CH2-CD2 3.99Å; W59-F75 AromaticContact CZ3-CD2 3.88Å; W59-F75 HydrophobicContact CZ3-CD2 3.88Å; W59-F75 HydrophobicContact CZ3-CE2 4.22Å; V67-F75 HydrophobicContact CG1-CE2 4.42Å; E71-F75 WeakPolarHBondContact O-CD2 3.45Å; E71-F75 PolarHBondContact O-N 3.46Å; R72-F75 PolarHBondContact O-N 3.32Å; F75-K78 PolarHBondContact O-N 2.9Å; F75-W79 PolarHBondContact O-N 3.32Å; F75-G200 WeakPolarHBondContact CE1-O 3.46Å; F75-L201 HydrophobicContact CB-CD1 4.03Å; F75-L201 HydrophobicContact CG-CD1 4.31Å
76L98.6Very high95.4Very high0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-63.3-46.9-180-62.3176.8000111.8R72 K78 W79 G80 F116 F119 L171 A172R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.26Å; R72-L76 VanDerWaalsContact O-N 3.13Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.98Å; L76-W79 WeakPolarHBondContact O-CB 3.45Å; L76-W79 PolarHBondContact O-N 3.41Å; L76-W79 VanDerWaalsContact O-N 3.13Å; L76-G80 PolarHBondContact O-N 3.43Å; L76-F116 WeakPolarHBondContact CB-O 3.27Å; L76-F116 HydrophobicContact CD2-CD1 3.9Å; L76-F116 HydrophobicContact CD2-CE1 4.29Å; L76-F116 WeakPolarHBondContact O-CB 3.22Å; L76-F119 HydrophobicContact CD1-CB 4.38Å; L76-L171 HydrophobicContact CD2-CB 3.84Å; L76-L171 HydrophobicContact CD2-CD1 4Å; L76-A172 HydrophobicContact CD1-CB 3.73Å
77K98.6Very high96.5Very high92 Ų9254.2 Ų54.240%0.428%0.279SS..Hα-helixtrans-61.8-38.4176.7-69.8-177.4-64.3167.30112.8G73 A74 G80 S81G73-K77 WeakPolarHBondContact O-CE 3.41Å; G73-K77 WeakPolarHBondContact O-CG 3.31Å; G73-K77 PolarHBondContact O-N 2.92Å; G73-K77 VanDerWaalsContact O-N 3.11Å; A74-K77 PolarHBondContact O-N 3.38Å; K77-G80 PolarHBondContact O-N 2.84Å; K77-S81 PolarHBondContact O-N 3.3Å
78K98.8Very high97.1Very high103 Ų10359.8 Ų59.845%0.44830%0.301SS..Hα-helixtrans-64.3-41.4174.9-175.7177169.6-156.40111.3A74 F75 L76 S81 L82 S198 A199A74-K78 WeakPolarHBondContact O-CB 3.45Å; A74-K78 PolarHBondContact O-N 3.48Å; F75-K78 PolarHBondContact O-N 2.9Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.98Å; K78-S81 PolarHBondContact O-N 3.44Å; K78-L82 HydrophobicContact CG-CD1 4.29Å; K78-L82 WeakPolarHBondContact O-CG 3.23Å; K78-L82 PolarHBondContact O-N 2.89Å; K78-S198 PolarHBondContact NZ-O 3.07Å; K78-A199 WeakPolarHBondContact CD-O 3.5Å; K78-A199 HydrophobicContact CG-CB 4.34Å; K78-A199 PolarHBondContact NZ-O 3.15Å
79W98.7Very high97.5Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-58.4-50.1173-164.7-29.6000111F75 L76 S81 L82 L83 F116 V167 L171 L192 I195 A196 A199 L201 F206F75-W79 PolarHBondContact O-N 3.32Å; L76-W79 WeakPolarHBondContact O-CB 3.45Å; L76-W79 PolarHBondContact O-N 3.41Å; L76-W79 VanDerWaalsContact O-N 3.13Å; W79-S81 PolarHBondContact O-N 3.27Å; W79-L82 PolarHBondContact O-N 3.06Å; W79-L83 WeakPolarHBondContact O-CG 3.34Å; W79-L83 PolarHBondContact O-N 3.45Å; W79-F116 HydrophobicContact CB-CD1 4.33Å; W79-F116 HydrophobicContact CB-CG 4.47Å; W79-F116 HydrophobicContact CD2-CD1 4.18Å; W79-F116 AromaticContact CD2-CE1 3.67Å; W79-F116 HydrophobicContact CD2-CE1 3.67Å; W79-F116 HydrophobicContact CD2-CE2 4.48Å; W79-F116 AromaticContact CD2-CZ 3.84Å; W79-F116 HydrophobicContact CD2-CZ 3.84Å; W79-F116 AromaticContact CE2-CE1 3.9Å; W79-F116 AromaticContact CE2-CZ 3.57Å; W79-F116 HydrophobicContact CE3-CD1 4.36Å; W79-F116 AromaticContact CE3-CE1 3.79Å; W79-F116 HydrophobicContact CE3-CE1 3.79Å; W79-F116 HydrophobicContact CE3-CZ 4.31Å; W79-F116 HydrophobicContact CG-CD1 4.17Å; W79-F116 HydrophobicContact CG-CE1 4.09Å; W79-F116 HydrophobicContact CG-CE2 4.42Å; W79-F116 HydrophobicContact CG-CG 4.39Å; W79-F116 HydrophobicContact CG-CZ 4.21Å; W79-F116 HydrophobicContact CH2-CE1 4.28Å; W79-F116 HydrophobicContact CH2-CZ 4.26Å; W79-F116 HydrophobicContact CZ2-CE1 4.21Å; W79-F116 AromaticContact CZ2-CZ 3.81Å; W79-F116 HydrophobicContact CZ2-CZ 3.81Å; W79-F116 HydrophobicContact CZ3-CE1 4.08Å; W79-F116 HydrophobicContact CZ3-CZ 4.49Å; W79-F116 AromaticContact NE1-CE2 3.92Å; W79-F116 AromaticContact NE1-CZ 3.81Å; W79-V167 HydrophobicContact CH2-CG1 4.16Å; W79-V167 HydrophobicContact CZ3-CG1 4.38Å; W79-L171 HydrophobicContact CZ3-CD1 3.85Å; W79-L192 HydrophobicContact CZ2-CB 4.23Å; W79-L192 WeakPolarHBondContact CZ2-O 3.37Å; W79-I195 HydrophobicContact CG-CG2 4.13Å; W79-A196 HydrophobicContact CD2-CB 4.07Å; W79-A196 HydrophobicContact CE3-CB 3.91Å; W79-A196 HydrophobicContact CH2-CB 3.3Å; W79-A196 HydrophobicContact CZ2-CB 3.44Å; W79-A196 VanDerWaalsContact CZ2-CB 3.44Å; W79-A196 HydrophobicContact CZ3-CB 3.55Å; W79-A199 HydrophobicContact CB-CB 4.12Å; W79-L201 HydrophobicContact CE3-CD2 4.46Å; W79-L201 HydrophobicContact CH2-CD2 4.47Å; W79-L201 HydrophobicContact CZ3-CD2 3.72Å; W79-F206 HydrophobicContact CH2-CB 4.39Å; W79-F206 AromaticContact CH2-CD1 3.59Å; W79-F206 HydrophobicContact CH2-CD1 3.59Å; W79-F206 HydrophobicContact CH2-CD2 4.19Å; W79-F206 AromaticContact CH2-CE1 3.79Å; W79-F206 HydrophobicContact CH2-CE1 3.79Å; W79-F206 HydrophobicContact CH2-CE2 4.38Å; W79-F206 AromaticContact CH2-CG 3.81Å; W79-F206 HydrophobicContact CH2-CG 3.81Å; W79-F206 HydrophobicContact CH2-CZ 4.2Å; W79-F206 HydrophobicContact CZ2-CD1 4.22Å; W79-F206 HydrophobicContact CZ2-CE1 4.02Å; W79-F206 HydrophobicContact CZ2-CZ 4.45Å
80G98.8Very high97.8Very high3 Ų354.3 Ų54.33%0.03127%0.269CS..Hα-helixtrans-56-46.4175.700000112.8L76 K77 L82 L83 L84 A113L76-G80 PolarHBondContact O-N 3.43Å; K77-G80 PolarHBondContact O-N 2.84Å; G80-L82 PolarHBondContact O-N 3.26Å; G80-L83 WeakPolarHBondContact O-CB 3.38Å; G80-L83 PolarHBondContact O-N 2.89Å; G80-L84 PolarHBondContact O-N 2.85Å; G80-L84 VanDerWaalsContact O-N 3.15Å; G80-A113 WeakPolarHBondContact O-CB 3.4Å
81S98.8Very high98.1Very high60 Ų6048 Ų4842%0.4224%0.241SC..Hα-helixtrans-57.9-47.3175.9-169.60000112.1K77 K78 W79 L83 L84 D85K77-S81 PolarHBondContact O-N 3.3Å; K78-S81 PolarHBondContact O-N 3.44Å; W79-S81 PolarHBondContact O-N 3.27Å; S81-L83 VanDerWaalsContact C-N 3.27Å; S81-L83 PolarHBondContact O-N 3Å; S81-L84 WeakPolarHBondContact O-CB 3.48Å; S81-L84 PolarHBondContact O-N 2.9Å; S81-D85 VanDerWaalsContact O-CG 3.25Å; S81-D85 PolarHBondContact O-N 2.98Å
82L98.8Very high98.3Very high36 Ų3646.6 Ų46.619%0.18824%0.235CC..Hα-helixtrans-64.9-30.3-180-70.7172.2000112.6K78 W79 G80 N86 I195 A199K78-L82 HydrophobicContact CG-CD1 4.29Å; K78-L82 WeakPolarHBondContact O-CG 3.23Å; K78-L82 PolarHBondContact O-N 2.89Å; W79-L82 PolarHBondContact O-N 3.06Å; G80-L82 PolarHBondContact O-N 3.26Å; L82-N86 WeakPolarHBondContact O-CB 3.32Å; L82-N86 PolarHBondContact O-N 2.77Å; L82-N86 PolarHBondContact O-ND2 2.82Å; L82-I195 HydrophobicContact CB-CD1 4.42Å; L82-I195 HydrophobicContact CB-CG2 3.6Å; L82-I195 HydrophobicContact CD1-CG2 4.31Å; L82-A199 HydrophobicContact CD1-CB 4.1Å
83L98.8Very high98.5Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-64.4-43.9170.7-68.5172.4000111.4W79 G80 S81 N86 K87 L90 I109 A113 F116 L192 I195W79-L83 WeakPolarHBondContact O-CG 3.34Å; W79-L83 PolarHBondContact O-N 3.45Å; G80-L83 WeakPolarHBondContact O-CB 3.38Å; G80-L83 PolarHBondContact O-N 2.89Å; S81-L83 VanDerWaalsContact C-N 3.27Å; S81-L83 PolarHBondContact O-N 3Å; L83-N86 CarbonylContact O-C 3.49Å; L83-N86 PolarHBondContact O-N 2.91Å; L83-K87 WeakPolarHBondContact O-CA 3.35Å; L83-K87 WeakPolarHBondContact O-CB 3.06Å; L83-K87 PolarHBondContact O-N 3.38Å; L83-L90 HydrophobicContact CD2-CD1 3.69Å; L83-I109 HydrophobicContact CB-CG2 3.99Å; L83-I109 HydrophobicContact CD2-CG2 4.44Å; L83-I109 WeakPolarHBondContact O-CG2 3.37Å; L83-A113 HydrophobicContact CB-CB 4.04Å; L83-A113 HydrophobicContact CD1-CB 4.34Å; L83-F116 HydrophobicContact CD1-CD2 3.52Å; L83-F116 HydrophobicContact CD1-CE2 3.64Å; L83-L192 HydrophobicContact CD1-CD2 4.2Å; L83-L192 HydrophobicContact CD2-CD2 3.63Å; L83-I195 HydrophobicContact CD2-CB 4.35Å; L83-I195 HydrophobicContact CD2-CG1 3.99Å; L83-I195 HydrophobicContact CD2-CG2 4.18Å; L83-I195 HydrophobicContact CG-CG2 4.26Å
84L98.8Very high98.6Very high68 Ų6846.1 Ų46.136%0.35623%0.233SC..Hα-helixtrans-64.3-41.9178.2-64.4176.7000111.9G80 S81 N86 K87 V110 A113G80-L84 PolarHBondContact O-N 2.85Å; G80-L84 VanDerWaalsContact O-N 3.15Å; S81-L84 WeakPolarHBondContact O-CB 3.48Å; S81-L84 PolarHBondContact O-N 2.9Å; L84-N86 PolarHBondContact O-N 3.32Å; L84-K87 WeakPolarHBondContact O-CD 3.19Å; L84-K87 WeakPolarHBondContact O-CG 3.33Å; L84-K87 PolarHBondContact O-N 3.04Å; L84-V110 HydrophobicContact CD2-CB 4.39Å; L84-V110 HydrophobicContact CD2-CG1 4.33Å; L84-V110 HydrophobicContact CD2-CG2 4.09Å; L84-A113 HydrophobicContact CD1-CB 4.42Å; L84-A113 HydrophobicContact CD2-CB 3.66Å; L84-A113 HydrophobicContact CG-CB 3.73Å
85D98.6Very high98.6Very high113 Ų11343.7 Ų43.760%0.60421%0.213SC*.Hα-helixtrans-61.1-31177.6-64.2-25.3000111.8S81S81-D85 VanDerWaalsContact O-CG 3.25Å; S81-D85 PolarHBondContact O-N 2.98Å
86N98.6Very high98.6Very high46 Ų4645.8 Ų45.825%0.24622%0.219CC..THydrogen-bonded Turntrans-111.310.1-174.4-67.1-80.4000114.1F3 L82 L83 L84 K88 Q89 L90F3-N86 HydrophobicContact CE2-CB 3.6Å; F3-N86 WeakPolarHBondContact CE2-OD1 3.41Å; F3-N86 HydrophobicContact CZ-CB 3.8Å; F3-N86 VanDerWaalsContact CZ-CG 3.45Å; F3-N86 WeakPolarHBondContact CZ-OD1 3.38Å; L82-N86 WeakPolarHBondContact O-CB 3.32Å; L82-N86 PolarHBondContact O-N 2.77Å; L82-N86 PolarHBondContact O-ND2 2.82Å; L83-N86 CarbonylContact O-C 3.49Å; L83-N86 PolarHBondContact O-N 2.91Å; L84-N86 PolarHBondContact O-N 3.32Å; N86-K88 VanDerWaalsContact C-N 3.26Å; N86-K88 PolarHBondContact O-N 3.21Å; N86-K88 VanDerWaalsContact O-N 3.08Å; N86-Q89 PolarHBondContact O-N 3.39Å; N86-Q89 VanDerWaalsContact O-N 3.11Å; N86-L90 HydrophobicContact CB-CD1 3.87Å; N86-L90 HydrophobicContact CB-CG 4.14Å; N86-L90 WeakPolarHBondContact O-CG 3.27Å; N86-L90 PolarHBondContact O-N 3.15Å
87K98.6Very high98.6Very high92 Ų9245.8 Ų45.840%0.422%0.219SC..Hα-helixtrans-55.4-35.1-167.966.6-172.2172.5-174.70115L83 L84 G91 V106 I109 V110L83-K87 WeakPolarHBondContact O-CA 3.35Å; L83-K87 WeakPolarHBondContact O-CB 3.06Å; L83-K87 PolarHBondContact O-N 3.38Å; L84-K87 WeakPolarHBondContact O-CD 3.19Å; L84-K87 WeakPolarHBondContact O-CG 3.33Å; L84-K87 PolarHBondContact O-N 3.04Å; K87-G91 PolarHBondContact O-N 3.34Å; K87-V106 HydrophobicContact CB-CG1 4.32Å; K87-V106 HydrophobicContact CD-CG1 4.14Å; K87-V106 HydrophobicContact CG-CG1 4.07Å; K87-I109 HydrophobicContact CB-CB 4.18Å; K87-I109 HydrophobicContact CB-CG2 3.87Å; K87-V110 HydrophobicContact CD-CG2 3.92Å
88K98.2Very high98.6Very high137 Ų13741.4 Ų41.460%0.59620%0.2SC*.Hα-helixtrans-67-50.9179.1-173.7-178.2175.9-172.50111.2N86 L90 G91 E92N86-K88 VanDerWaalsContact C-N 3.26Å; N86-K88 PolarHBondContact O-N 3.21Å; N86-K88 VanDerWaalsContact O-N 3.08Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 3.06Å; K88-G91 PolarHBondContact O-N 2.86Å; K88-E92 WeakPolarHBondContact CE-OE1 3.45Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 3.2Å
89Q98.3Very high98.6Very high53 Ų5336.6 Ų36.625%0.24818%0.179CC..Hα-helixtrans-68.6-37.1-177.6-161.5-163.8-51.800111.9S2 F3 N86 E92 L93S2-Q89 PolarHBondContact OG-NE2 3.11Å; S2-Q89 PolarHBondContact OG-OE1 3.04Å; F3-Q89 HydrophobicContact CD2-CB 4.41Å; F3-Q89 HydrophobicContact CD2-CG 4.32Å; N86-Q89 PolarHBondContact O-N 3.39Å; N86-Q89 VanDerWaalsContact O-N 3.11Å; Q89-E92 PolarHBondContact O-N 3.46Å; Q89-L93 PolarHBondContact O-N 3.18Å
90L98.8Very high98.6Very high7 Ų736.7 Ų36.74%0.03718%0.18CC..Hα-helixtrans-65.1-41.8172.8-67.3170.4000111.1F3 L83 N86 K88 E92 L93 L94 I109 A191 I195F3-L90 HydrophobicContact CB-CD2 3.97Å; F3-L90 HydrophobicContact CD1-CD2 4.22Å; F3-L90 HydrophobicContact CD2-CD2 3.68Å; F3-L90 HydrophobicContact CD2-CG 4.09Å; F3-L90 HydrophobicContact CE2-CD2 4.3Å; F3-L90 HydrophobicContact CE2-CG 4.38Å; F3-L90 HydrophobicContact CG-CD2 3.67Å; L83-L90 HydrophobicContact CD2-CD1 3.69Å; N86-L90 HydrophobicContact CB-CD1 3.87Å; N86-L90 HydrophobicContact CB-CG 4.14Å; N86-L90 WeakPolarHBondContact O-CG 3.27Å; N86-L90 PolarHBondContact O-N 3.15Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 3.06Å; L90-E92 PolarHBondContact O-N 3.06Å; L90-L93 PolarHBondContact O-N 3.38Å; L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 PolarHBondContact O-N 3.13Å; L90-I109 HydrophobicContact CB-CD1 3.78Å; L90-I109 HydrophobicContact CB-CG1 3.79Å; L90-I109 HydrophobicContact CB-CG2 4.33Å; L90-I109 HydrophobicContact CD1-CG2 3.94Å; L90-A191 HydrophobicContact CD2-CB 3.77Å; L90-I195 HydrophobicContact CD1-CD1 4.35Å; L90-I195 HydrophobicContact CD1-CG1 4.45Å
91G98.6Very high98.6Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-62.7-37.917500000113.3K87 K88 L94 T95 A105K87-G91 PolarHBondContact O-N 3.34Å; K88-G91 PolarHBondContact O-N 2.86Å; G91-L94 PolarHBondContact O-N 2.77Å; G91-T95 WeakPolarHBondContact O-CB 3.41Å; G91-T95 PolarHBondContact O-N 3.17Å; G91-T95 PolarHBondContact O-OG1 3.02Å; G91-A105 VanDerWaalsContact O-CB 3.27Å; G91-A105 WeakPolarHBondContact O-CB 3.39Å
92E98.5Very high98.6Very high54 Ų5435.8 Ų35.825%0.25217%0.17SC..Hα-helixtrans-64.4-41.2174.6-72.5170.3-169.800112.1M1 K88 Q89 L90 R96 L102M1-E92 HydrophobicContact CE-CB 3.75Å; K88-E92 WeakPolarHBondContact CE-OE1 3.45Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 3.2Å; Q89-E92 PolarHBondContact O-N 3.46Å; L90-E92 PolarHBondContact O-N 3.06Å; E92-R96 WeakPolarHBondContact O-CG 3.47Å; E92-R96 PolarHBondContact O-N 3.34Å; E92-R96 VanDerWaalsContact O-N 3.15Å; E92-L102 HydrophobicContact CB-CD1 4.41Å; E92-L102 HydrophobicContact CG-CD1 3.76Å; E92-L102 HydrophobicContact CG-CD2 4.33Å
93L98.8Very high98.6Very high2 Ų238 Ų381%0.0119%0.186CC..Hα-helixtrans-65-46.8175.4179.162.8000111.4M1 F3 L4 F34 Q89 L90 T95 R96 E97 L187 A191M1-L93 HydrophobicContact SD-CB 4.39Å; M1-L93 HydrophobicContact SD-CD1 4.24Å; F3-L93 HydrophobicContact CB-CD2 4.35Å; L4-L93 HydrophobicContact CB-CD1 4.37Å; L4-L93 HydrophobicContact CD1-CD1 4.45Å; L4-L93 HydrophobicContact CG-CD1 4.36Å; F34-L93 HydrophobicContact CE2-CD1 4.37Å; Q89-L93 PolarHBondContact O-N 3.18Å; L90-L93 PolarHBondContact O-N 3.38Å; L93-T95 VanDerWaalsContact C-N 3.35Å; L93-T95 PolarHBondContact O-N 2.97Å; L93-R96 WeakPolarHBondContact O-CB 3.47Å; L93-R96 PolarHBondContact O-N 3.12Å; L93-R96 VanDerWaalsContact O-N 3.15Å; L93-E97 PolarHBondContact O-N 2.89Å; L93-L187 HydrophobicContact CD1-CB 4.09Å; L93-L187 HydrophobicContact CD1-CD1 4Å; L93-L187 HydrophobicContact CD2-CB 4.19Å; L93-L187 HydrophobicContact CG-CB 4.24Å; L93-A191 HydrophobicContact CD2-CB 3.9Å
94L98.8Very high98.6Very high0 Ų039.9 Ų39.90%020%0.195CC..Hα-helixtrans-60.9-44.7178.9-169.5162.6000111.2L90 G91 R96 E97 Q98 K100 A105 E108 I109 P159L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 PolarHBondContact O-N 3.13Å; G91-L94 PolarHBondContact O-N 2.77Å; L94-R96 VanDerWaalsContact C-N 3.27Å; L94-R96 PolarHBondContact O-N 2.93Å; L94-E97 WeakPolarHBondContact O-CG 3.45Å; L94-E97 PolarHBondContact O-N 3.17Å; L94-Q98 HydrophobicContact CD2-CB 4.14Å; L94-Q98 VanDerWaalsContact O-CB 3.31Å; L94-Q98 WeakPolarHBondContact O-CB 3.45Å; L94-Q98 PolarHBondContact O-N 3.36Å; L94-K100 HydrophobicContact CD2-CD 3.58Å; L94-K100 HydrophobicContact CD2-CG 3.8Å; L94-A105 HydrophobicContact CB-CB 4.26Å; L94-A105 HydrophobicContact CD2-CB 3.83Å; L94-A105 HydrophobicContact CG-CB 4.47Å; L94-E108 HydrophobicContact CD1-CB 4.33Å; L94-E108 HydrophobicContact CD1-CG 4.22Å; L94-I109 HydrophobicContact CD1-CD1 4.12Å; L94-P159 HydrophobicContact CD1-CG 4.22Å; L94-P159 HydrophobicContact CD2-CG 4.42Å; L94-P159 HydrophobicContact CG-CG 3.96Å
95T98.8Very high98.6Very high1 Ų136.6 Ų36.61%0.00618%0.178CC..Hα-helixtrans-57-42175-60.30000111.3G91 L93 G99 K100 L102 A105 L326G91-T95 WeakPolarHBondContact O-CB 3.41Å; G91-T95 PolarHBondContact O-N 3.17Å; G91-T95 PolarHBondContact O-OG1 3.02Å; L93-T95 VanDerWaalsContact C-N 3.35Å; L93-T95 PolarHBondContact O-N 2.97Å; T95-G99 WeakPolarHBondContact O-CA 3.36Å; T95-G99 PolarHBondContact O-N 2.77Å; T95-K100 WeakPolarHBondContact CG2-O 3.46Å; T95-K100 PolarHBondContact OG1-O 2.99Å; T95-L102 WeakPolarHBondContact OG1-CA 2.98Å; T95-A105 VanDerWaalsContact OG1-CB 3.26Å; T95-A105 WeakPolarHBondContact OG1-CB 3.2Å; T95-L326 HydrophobicContact CG2-CD2 3.51Å; T95-L326 HydrophobicContact CG2-CG 3.66Å
96R98.4Very high98.6Very high95 Ų9532.6 Ų32.636%0.35816%0.157SC..Hα-helixtrans-66-40.3-179.3-76.1178.9-179.5-152-0.3113.6M1 N27 P28 F34 E92 L93 L94 L326M1-R96 VanDerWaalsContact CE-CZ 3.46Å; M1-R96 VanDerWaalsContact CE-NE 3.28Å; N27-R96 WeakPolarHBondContact CA-O 3.22Å; N27-R96 WeakPolarHBondContact CB-O 3.34Å; N27-R96 PolarHBondContact OD1-O 2.89Å; P28-R96 WeakPolarHBondContact CD-O 3.25Å; F34-R96 HydrophobicContact CE1-CB 4.25Å; F34-R96 WeakPolarHBondContact CE1-O 3.36Å; F34-R96 HydrophobicContact CE2-CB 4.16Å; F34-R96 HydrophobicContact CZ-CB 3.86Å; E92-R96 WeakPolarHBondContact O-CG 3.47Å; E92-R96 PolarHBondContact O-N 3.34Å; E92-R96 VanDerWaalsContact O-N 3.15Å; L93-R96 WeakPolarHBondContact O-CB 3.47Å; L93-R96 PolarHBondContact O-N 3.12Å; L93-R96 VanDerWaalsContact O-N 3.15Å; L94-R96 VanDerWaalsContact C-N 3.27Å; L94-R96 PolarHBondContact O-N 2.93Å; R96-L326 HydrophobicContact CG-CD1 3.9Å
97E98.4Very high98.6Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-83.5-33179.662.2-179.6174.300113.5V25 P28 F34 L93 L94 T185 L187 S188V25-E97 HydrophobicContact CG1-CB 3.95Å; P28-E97 VanDerWaalsContact CD-O 3.28Å; P28-E97 WeakPolarHBondContact CD-O 3.35Å; P28-E97 WeakPolarHBondContact CG-O 3.42Å; F34-E97 HydrophobicContact CE1-CB 4.37Å; F34-E97 HydrophobicContact CZ-CB 3.94Å; L93-E97 PolarHBondContact O-N 2.89Å; L94-E97 WeakPolarHBondContact O-CG 3.45Å; L94-E97 PolarHBondContact O-N 3.17Å; E97-T185 HydrophobicContact CB-CG2 4.32Å; E97-T185 HydrophobicContact CG-CG2 3.96Å; E97-T185 WeakPolarHBondContact OE2-CA 3.34Å; E97-L187 WeakPolarHBondContact OE2-CA 3.34Å; E97-L187 WeakPolarHBondContact OE2-CB 3.3Å; E97-L187 PolarHBondContact OE2-N 2.69Å; E97-S188 WeakPolarHBondContact OE1-CA 3.24Å; E97-S188 WeakPolarHBondContact OE1-CB 3.07Å; E97-S188 PolarHBondContact OE1-N 2.91Å; E97-S188 PolarHBondContact OE1-OG 2.92Å; E97-S188 PolarHBondContact OE2-N 3.46Å
98Q98.7Very high98.6Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-103.5-31.2-170.9-164.7-76.7-39.600113L94 K100 W156 T185 C287 I336L94-Q98 HydrophobicContact CD2-CB 4.14Å; L94-Q98 VanDerWaalsContact O-CB 3.31Å; L94-Q98 WeakPolarHBondContact O-CB 3.45Å; L94-Q98 PolarHBondContact O-N 3.36Å; Q98-K100 VanDerWaalsContact OE1-CG 3.25Å; Q98-W156 HydrophobicContact CG-CE3 4.49Å; Q98-W156 WeakPolarHBondContact CG-O 3.35Å; Q98-T185 HydrophobicContact CB-CG2 3.69Å; Q98-T185 HydrophobicContact CG-CG2 3.88Å; Q98-C287 PolarHBondContact NE2-SG 2.72Å; Q98-C287 VanDerWaalsContact NE2-SG 3.42Å; Q98-I336 HydrophobicContact CG-CD1 4.3Å
99G98.6Very high98.6Very high1 Ų124.7 Ų24.71%0.0113%0.126CC..  trans96.6-17.8177.200000116.2T95 P334T95-G99 WeakPolarHBondContact O-CA 3.36Å; T95-G99 PolarHBondContact O-N 2.77Å; G99-P334 WeakPolarHBondContact O-CD 3.22Å
100K98.7Very high98.6Very high3 Ų324.9 Ų24.91%0.01313%0.13CC..  trans-57.6158.4177.169.4-175.769.3-174.80112.1L94 T95 Q98 E104 A105 E108 N157L94-K100 HydrophobicContact CD2-CD 3.58Å; L94-K100 HydrophobicContact CD2-CG 3.8Å; T95-K100 WeakPolarHBondContact CG2-O 3.46Å; T95-K100 PolarHBondContact OG1-O 2.99Å; Q98-K100 VanDerWaalsContact OE1-CG 3.25Å; K100-E104 HydrophobicContact CB-CB 4.36Å; K100-E104 HydrophobicContact CD-CB 4.12Å; K100-E104 HydrophobicContact CG-CB 4.31Å; K100-A105 HydrophobicContact CD-CB 4.24Å; K100-A105 HydrophobicContact CG-CB 4.04Å; K100-E108 IonicContact NZ-OE2 2.73Å; K100-E108 PolarHBondContact NZ-OE2 3.26Å; K100-N157 WeakPolarHBondContact CE-O 3.1Å; K100-N157 PolarHBondContact NZ-O 2.68Å
101T98.6Very high98.6Very high5 Ų526.5 Ų26.53%0.03114%0.136CC..  trans-63.8149.8-177.366.30000112.2P103 E104 A105 V330 T331T101-P103 VanDerWaalsContact C-N 3.33Å; T101-E104 PolarHBondContact N-OE2 2.95Å; T101-E104 WeakPolarHBondContact O-CA 3.2Å; T101-E104 WeakPolarHBondContact O-CB 3.45Å; T101-E104 PolarHBondContact O-N 3.42Å; T101-E104 WeakPolarHBondContact OG1-CG 3.45Å; T101-E104 PolarHBondContact OG1-OE2 3.16Å; T101-A105 PolarHBondContact O-N 2.98Å; T101-V330 HydrophobicContact CG2-CG1 4.07Å; T101-T331 VanDerWaalsContact CG2-C 3.47Å
102L98.7Very high98.7Very high39 Ų3926.5 Ų26.520%0.20414%0.136CC..Hα-helixtrans-54.8-42.1179.9179.262.5000113E92 T95 E104 A105 V106 G325E92-L102 HydrophobicContact CB-CD1 4.41Å; E92-L102 HydrophobicContact CG-CD1 3.76Å; E92-L102 HydrophobicContact CG-CD2 4.33Å; T95-L102 WeakPolarHBondContact OG1-CA 2.98Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 2.86Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-V106 HydrophobicContact CD1-CG2 3.97Å; L102-V106 HydrophobicContact CG-CG2 4.35Å; L102-V106 WeakPolarHBondContact O-CB 3.38Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.3Å; L102-V106 PolarHBondContact O-N 3.01Å; L102-G325 PolarHBondContact N-O 3.46Å
103P98.4Very high98.7Very high82 Ų8224 Ų2453%0.53213%0.125SC..Hα-helixtrans-58.9-42.3173.2-25.836.6000113.4T101 N107T101-P103 VanDerWaalsContact C-N 3.33Å; P103-N107 WeakPolarHBondContact O-CB 3.39Å; P103-N107 PolarHBondContact O-N 2.91Å; P103-N107 PolarHBondContact O-ND2 3.28Å
104E98.4Very high98.7Very high39 Ų3925.2 Ų25.218%0.18213%0.133CC..Hα-helixtrans-67-40.4176.9-68.8174.8123.300112.1K100 T101 L102 N107 E108 R286 C287K100-E104 HydrophobicContact CB-CB 4.36Å; K100-E104 HydrophobicContact CD-CB 4.12Å; K100-E104 HydrophobicContact CG-CB 4.31Å; T101-E104 PolarHBondContact N-OE2 2.95Å; T101-E104 WeakPolarHBondContact O-CA 3.2Å; T101-E104 WeakPolarHBondContact O-CB 3.45Å; T101-E104 PolarHBondContact O-N 3.42Å; T101-E104 WeakPolarHBondContact OG1-CG 3.45Å; T101-E104 PolarHBondContact OG1-OE2 3.16Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 2.86Å; E104-N107 PolarHBondContact O-N 3.38Å; E104-E108 PolarHBondContact O-N 3.01Å; E104-R286 WeakPolarHBondContact OE1-CA 3.16Å; E104-C287 PolarHBondContact OE1-N 2.79Å
105A98.8Very high98.7Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-63.3-45.2175.900000111.8G91 L94 T95 K100 T101 L102 N107 E108 I109G91-A105 VanDerWaalsContact O-CB 3.27Å; G91-A105 WeakPolarHBondContact O-CB 3.39Å; L94-A105 HydrophobicContact CB-CB 4.26Å; L94-A105 HydrophobicContact CD2-CB 3.83Å; L94-A105 HydrophobicContact CG-CB 4.47Å; T95-A105 VanDerWaalsContact OG1-CB 3.26Å; T95-A105 WeakPolarHBondContact OG1-CB 3.2Å; K100-A105 HydrophobicContact CD-CB 4.24Å; K100-A105 HydrophobicContact CG-CB 4.04Å; T101-A105 PolarHBondContact O-N 2.98Å; L102-A105 PolarHBondContact O-N 3.26Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.04Å; A105-E108 WeakPolarHBondContact O-CB 3.26Å; A105-E108 PolarHBondContact O-N 3.3Å; A105-E108 VanDerWaalsContact O-N 3.16Å; A105-I109 WeakPolarHBondContact O-CG1 3.44Å; A105-I109 PolarHBondContact O-N 2.9Å
106V98.8Very high98.7Very high29 Ų2925.2 Ų25.218%0.17613%0.133CC..Hα-helixtrans-62.3-42.1175.3171.20000110.9K87 L102 E108 I109 V110K87-V106 HydrophobicContact CB-CG1 4.32Å; K87-V106 HydrophobicContact CD-CG1 4.14Å; K87-V106 HydrophobicContact CG-CG1 4.07Å; L102-V106 HydrophobicContact CD1-CG2 3.97Å; L102-V106 HydrophobicContact CG-CG2 4.35Å; L102-V106 WeakPolarHBondContact O-CB 3.38Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.3Å; L102-V106 PolarHBondContact O-N 3.01Å; V106-E108 VanDerWaalsContact C-N 3.28Å; V106-E108 PolarHBondContact O-N 3.39Å; V106-I109 PolarHBondContact O-N 3.48Å; V106-I109 VanDerWaalsContact O-N 3.12Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.27Å
107N98.5Very high98.7Very high104 Ų10425.7 Ų25.756%0.55614%0.139SC*.Hα-helixtrans-64.1-33.7175.5-74-20.4000112.1P103 E104 A105 V110 Y111P103-N107 WeakPolarHBondContact O-CB 3.39Å; P103-N107 PolarHBondContact O-N 2.91Å; P103-N107 PolarHBondContact O-ND2 3.28Å; E104-N107 PolarHBondContact O-N 3.38Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.04Å; N107-V110 PolarHBondContact O-N 2.86Å; N107-Y111 VanDerWaalsContact O-CB 3.26Å; N107-Y111 WeakPolarHBondContact O-CB 3.3Å; N107-Y111 PolarHBondContact O-N 2.98Å
108E98.8Very high98.7Very high4 Ų428.5 Ų28.52%0.01915%0.15CC..Hα-helixtrans-64.3-39.6171.1-176.3179.5160.900112.1L94 K100 E104 A105 V106 V110 Y111 S112 F158 P159 S160 A161L94-E108 HydrophobicContact CD1-CB 4.33Å; L94-E108 HydrophobicContact CD1-CG 4.22Å; K100-E108 IonicContact NZ-OE2 2.73Å; K100-E108 PolarHBondContact NZ-OE2 3.26Å; E104-E108 PolarHBondContact O-N 3.01Å; A105-E108 WeakPolarHBondContact O-CB 3.26Å; A105-E108 PolarHBondContact O-N 3.3Å; A105-E108 VanDerWaalsContact O-N 3.16Å; V106-E108 VanDerWaalsContact C-N 3.28Å; V106-E108 PolarHBondContact O-N 3.39Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-Y111 CarbonylContact O-C 3.49Å; E108-Y111 PolarHBondContact O-N 2.85Å; E108-S112 WeakPolarHBondContact O-CB 3.44Å; E108-S112 PolarHBondContact O-N 2.85Å; E108-S112 PolarHBondContact O-OG 3.18Å; E108-F158 HydrophobicContact CG-CD1 3.95Å; E108-F158 WeakPolarHBondContact OE1-CA 3.45Å; E108-P159 WeakPolarHBondContact OE1-CD 3.42Å; E108-P159 VanDerWaalsContact OE1-N 3.13Å; E108-S160 WeakPolarHBondContact OE1-CA 3.26Å; E108-S160 PolarHBondContact OE1-N 3.35Å; E108-A161 HydrophobicContact CG-CB 3.68Å; E108-A161 PolarHBondContact OE1-N 2.84Å
109I98.9Very high98.7Very high1 Ų128.5 Ų28.51%0.00515%0.15CC..Hα-helixtrans-64.8-40.9175.8-57.4-56.1000111L83 K87 L90 L94 A105 V106 S112 A113L83-I109 HydrophobicContact CB-CG2 3.99Å; L83-I109 HydrophobicContact CD2-CG2 4.44Å; L83-I109 WeakPolarHBondContact O-CG2 3.37Å; K87-I109 HydrophobicContact CB-CB 4.18Å; K87-I109 HydrophobicContact CB-CG2 3.87Å; L90-I109 HydrophobicContact CB-CD1 3.78Å; L90-I109 HydrophobicContact CB-CG1 3.79Å; L90-I109 HydrophobicContact CB-CG2 4.33Å; L90-I109 HydrophobicContact CD1-CG2 3.94Å; L94-I109 HydrophobicContact CD1-CD1 4.12Å; A105-I109 WeakPolarHBondContact O-CG1 3.44Å; A105-I109 PolarHBondContact O-N 2.9Å; V106-I109 PolarHBondContact O-N 3.48Å; V106-I109 VanDerWaalsContact O-N 3.12Å; I109-S112 WeakPolarHBondContact O-CB 3.34Å; I109-S112 PolarHBondContact O-N 3.22Å; I109-A113 PolarHBondContact O-N 3Å
110V98.8Very high98.7Very high56 Ų5628.5 Ų28.534%0.33915%0.15SC..Hα-helixtrans-61.9-44.5173.8174.60000110.9L84 K87 V106 N107 E108 S112 A113 S114L84-V110 HydrophobicContact CD2-CB 4.39Å; L84-V110 HydrophobicContact CD2-CG1 4.33Å; L84-V110 HydrophobicContact CD2-CG2 4.09Å; K87-V110 HydrophobicContact CD-CG2 3.92Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.27Å; N107-V110 PolarHBondContact O-N 2.86Å; E108-V110 VanDerWaalsContact C-N 3.34Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 2.81Å; V110-A113 WeakPolarHBondContact O-CB 3.45Å; V110-A113 PolarHBondContact O-N 3.26Å; V110-S114 PolarHBondContact O-N 3.37Å; V110-S114 VanDerWaalsContact O-N 3.1Å
111Y98.7Very high98.6Very high42 Ų4231.9 Ų31.917%0.16517%0.166CC..Hα-helixtrans-65.3-32.6175.8-178.5-123.2000112.8N107 E108 S114 F115 A161 R165 S462N107-Y111 VanDerWaalsContact O-CB 3.26Å; N107-Y111 WeakPolarHBondContact O-CB 3.3Å; N107-Y111 PolarHBondContact O-N 2.98Å; E108-Y111 CarbonylContact O-C 3.49Å; E108-Y111 PolarHBondContact O-N 2.85Å; Y111-S114 PolarHBondContact O-OG 2.85Å; Y111-F115 HydrophobicContact CD1-CE2 4.09Å; Y111-F115 HydrophobicContact CD2-CE2 4.24Å; Y111-F115 AromaticContact CE1-CE2 3.57Å; Y111-F115 HydrophobicContact CE1-CE2 3.57Å; Y111-F115 HydrophobicContact CE1-CZ 4.1Å; Y111-F115 AromaticContact CE2-CE2 3.75Å; Y111-F115 HydrophobicContact CE2-CE2 3.75Å; Y111-F115 AromaticContact CE2-CZ 3.82Å; Y111-F115 HydrophobicContact CE2-CZ 3.82Å; Y111-F115 HydrophobicContact CG-CE2 4.38Å; Y111-F115 AromaticContact CZ-CE2 3.37Å; Y111-F115 AromaticContact CZ-CZ 3.46Å; Y111-F115 VanDerWaalsContact CZ-CZ 3.46Å; Y111-F115 VanDerWaalsContact O-CD2 3.23Å; Y111-F115 WeakPolarHBondContact O-CD2 3.47Å; Y111-F115 VanDerWaalsContact OH-CZ 3.23Å; Y111-F115 WeakPolarHBondContact OH-CZ 3.41Å; Y111-A161 HydrophobicContact CD1-CB 3.58Å; Y111-A161 HydrophobicContact CE1-CB 3.97Å; Y111-R165 PolarHBondContact OH-NH2 3.17Å; Y111-S462 PolarHBondContact OH-OG 3.29Å
112S98.9Very high98.5Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-66.8-43.4172.6-57.20000110.9E108 I109 V110 S114 F115 F116 S160 A161E108-S112 WeakPolarHBondContact O-CB 3.44Å; E108-S112 PolarHBondContact O-N 2.85Å; E108-S112 PolarHBondContact O-OG 3.18Å; I109-S112 WeakPolarHBondContact O-CB 3.34Å; I109-S112 PolarHBondContact O-N 3.22Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 2.81Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 2.74Å; S112-F115 PolarHBondContact O-N 2.9Å; S112-F116 VanDerWaalsContact O-CD2 3.28Å; S112-F116 WeakPolarHBondContact O-CD2 3.49Å; S112-S160 WeakPolarHBondContact OG-CB 3.48Å; S112-A161 WeakPolarHBondContact OG-CA 3.43Å; S112-A161 PolarHBondContact OG-N 3Å
113A98.9Very high98.4Very high2 Ų230.8 Ų30.82%0.01716%0.159CC..Hα-helixtrans-62-36.7178.400000112.5G80 L83 L84 I109 V110 F115 F116 E117G80-A113 WeakPolarHBondContact O-CB 3.4Å; L83-A113 HydrophobicContact CB-CB 4.04Å; L83-A113 HydrophobicContact CD1-CB 4.34Å; L84-A113 HydrophobicContact CD1-CB 4.42Å; L84-A113 HydrophobicContact CD2-CB 3.66Å; L84-A113 HydrophobicContact CG-CB 3.73Å; I109-A113 PolarHBondContact O-N 3Å; V110-A113 WeakPolarHBondContact O-CB 3.45Å; V110-A113 PolarHBondContact O-N 3.26Å; A113-F115 VanDerWaalsContact C-N 3.31Å; A113-F115 PolarHBondContact O-N 2.89Å; A113-F116 PolarHBondContact O-N 3.42Å; A113-E117 PolarHBondContact O-N 3.41Å
114S98.7Very high98.1Very high27 Ų2734.3 Ų34.319%0.18916%0.162CC..Hα-helixtrans-63.5-34.5179.172.80000112.7V110 Y111 S112 E117 W118V110-S114 PolarHBondContact O-N 3.37Å; V110-S114 VanDerWaalsContact O-N 3.1Å; Y111-S114 PolarHBondContact O-OG 2.85Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 2.74Å; S114-E117 PolarHBondContact O-N 2.9Å; S114-W118 WeakPolarHBondContact O-CB 3.3Å; S114-W118 PolarHBondContact O-N 2.81Å
115F98.9Very high97.9Very high0 Ų037.8 Ų37.80%017%0.173CC..Hα-helixtrans-64.3-42.9173.5-72.6-62.4000112.8Y111 S112 A113 E117 W118 F119 R165 A168 C464 A480Y111-F115 HydrophobicContact CD1-CE2 4.09Å; Y111-F115 HydrophobicContact CD2-CE2 4.24Å; Y111-F115 AromaticContact CE1-CE2 3.57Å; Y111-F115 HydrophobicContact CE1-CE2 3.57Å; Y111-F115 HydrophobicContact CE1-CZ 4.1Å; Y111-F115 AromaticContact CE2-CE2 3.75Å; Y111-F115 HydrophobicContact CE2-CE2 3.75Å; Y111-F115 AromaticContact CE2-CZ 3.82Å; Y111-F115 HydrophobicContact CE2-CZ 3.82Å; Y111-F115 HydrophobicContact CG-CE2 4.38Å; Y111-F115 AromaticContact CZ-CE2 3.37Å; Y111-F115 AromaticContact CZ-CZ 3.46Å; Y111-F115 VanDerWaalsContact CZ-CZ 3.46Å; Y111-F115 VanDerWaalsContact O-CD2 3.23Å; Y111-F115 WeakPolarHBondContact O-CD2 3.47Å; Y111-F115 VanDerWaalsContact OH-CZ 3.23Å; Y111-F115 WeakPolarHBondContact OH-CZ 3.41Å; S112-F115 PolarHBondContact O-N 2.9Å; A113-F115 VanDerWaalsContact C-N 3.31Å; A113-F115 PolarHBondContact O-N 2.89Å; F115-E117 VanDerWaalsContact C-N 3.35Å; F115-W118 PolarHBondContact O-N 3.29Å; F115-F119 HydrophobicContact CD1-CE2 4.11Å; F115-F119 WeakPolarHBondContact O-CB 3.49Å; F115-F119 VanDerWaalsContact O-CD2 3.32Å; F115-F119 WeakPolarHBondContact O-CD2 3.29Å; F115-F119 PolarHBondContact O-N 3.35Å; F115-R165 HydrophobicContact CD1-CB 4.13Å; F115-R165 HydrophobicContact CD1-CG 3.91Å; F115-R165 HydrophobicContact CD2-CB 3.81Å; F115-R165 HydrophobicContact CD2-CG 4.38Å; F115-R165 HydrophobicContact CE1-CB 4.11Å; F115-R165 HydrophobicContact CE1-CG 3.6Å; F115-R165 HydrophobicContact CE2-CB 3.77Å; F115-R165 HydrophobicContact CE2-CG 4.07Å; F115-R165 HydrophobicContact CG-CB 3.99Å; F115-R165 HydrophobicContact CG-CG 4.3Å; F115-R165 HydrophobicContact CZ-CB 3.93Å; F115-R165 HydrophobicContact CZ-CG 3.67Å; F115-R165 VanDerWaalsContact CZ-NE 3.28Å; F115-A168 HydrophobicContact CB-CB 4.23Å; F115-C464 HydrophobicContact CD1-CB 3.74Å; F115-C464 HydrophobicContact CE1-CB 3.79Å; F115-C464 HydrophobicContact CG-CB 4.49Å; F115-A480 HydrophobicContact CE1-CB 3.62Å; F115-A480 HydrophobicContact CZ-CB 4.37Å
116F98.8Very high97.6Very high0 Ų039.4 Ų39.40%018%0.182CC..Hα-helixtrans-65.7-39177.2-74.8-67.4000112.1L76 W79 L83 S112 A113 G120 A164 V167 A168 L192L76-F116 WeakPolarHBondContact CB-O 3.27Å; L76-F116 HydrophobicContact CD2-CD1 3.9Å; L76-F116 HydrophobicContact CD2-CE1 4.29Å; L76-F116 WeakPolarHBondContact O-CB 3.22Å; W79-F116 HydrophobicContact CB-CD1 4.33Å; W79-F116 HydrophobicContact CB-CG 4.47Å; W79-F116 HydrophobicContact CD2-CD1 4.18Å; W79-F116 AromaticContact CD2-CE1 3.67Å; W79-F116 HydrophobicContact CD2-CE1 3.67Å; W79-F116 HydrophobicContact CD2-CE2 4.48Å; W79-F116 AromaticContact CD2-CZ 3.84Å; W79-F116 HydrophobicContact CD2-CZ 3.84Å; W79-F116 AromaticContact CE2-CE1 3.9Å; W79-F116 AromaticContact CE2-CZ 3.57Å; W79-F116 HydrophobicContact CE3-CD1 4.36Å; W79-F116 AromaticContact CE3-CE1 3.79Å; W79-F116 HydrophobicContact CE3-CE1 3.79Å; W79-F116 HydrophobicContact CE3-CZ 4.31Å; W79-F116 HydrophobicContact CG-CD1 4.17Å; W79-F116 HydrophobicContact CG-CE1 4.09Å; W79-F116 HydrophobicContact CG-CE2 4.42Å; W79-F116 HydrophobicContact CG-CG 4.39Å; W79-F116 HydrophobicContact CG-CZ 4.21Å; W79-F116 HydrophobicContact CH2-CE1 4.28Å; W79-F116 HydrophobicContact CH2-CZ 4.26Å; W79-F116 HydrophobicContact CZ2-CE1 4.21Å; W79-F116 AromaticContact CZ2-CZ 3.81Å; W79-F116 HydrophobicContact CZ2-CZ 3.81Å; W79-F116 HydrophobicContact CZ3-CE1 4.08Å; W79-F116 HydrophobicContact CZ3-CZ 4.49Å; W79-F116 AromaticContact NE1-CE2 3.92Å; W79-F116 AromaticContact NE1-CZ 3.81Å; L83-F116 HydrophobicContact CD1-CD2 3.52Å; L83-F116 HydrophobicContact CD1-CE2 3.64Å; S112-F116 VanDerWaalsContact O-CD2 3.28Å; S112-F116 WeakPolarHBondContact O-CD2 3.49Å; A113-F116 PolarHBondContact O-N 3.42Å; F116-G120 WeakPolarHBondContact O-CA 3.5Å; F116-G120 PolarHBondContact O-N 2.87Å; F116-A164 HydrophobicContact CD2-CB 4.03Å; F116-A164 HydrophobicContact CE2-CB 3.44Å; F116-A164 VanDerWaalsContact CE2-CB 3.44Å; F116-A164 HydrophobicContact CZ-CB 4.04Å; F116-V167 HydrophobicContact CE1-CG1 4.4Å; F116-A168 HydrophobicContact CD1-CB 3.72Å; F116-A168 HydrophobicContact CE1-CB 4.05Å; F116-A168 HydrophobicContact CG-CB 4.25Å; F116-L192 HydrophobicContact CE2-CD2 4.48Å
117E98.6Very high97.3Very high105 Ų10545.6 Ų45.649%0.49120%0.203SC..Hα-helixtrans-63-55.4172.4180177.3-162.900111.3A113 S114 F115 F119 G120 H121A113-E117 PolarHBondContact O-N 3.41Å; S114-E117 PolarHBondContact O-N 2.9Å; F115-E117 VanDerWaalsContact C-N 3.35Å; E117-F119 PolarHBondContact O-N 3.08Å; E117-G120 CarbonylContact O-C 3.55Å; E117-G120 WeakPolarHBondContact O-CA 3.17Å; E117-G120 PolarHBondContact O-N 2.98Å; E117-G120 VanDerWaalsContact O-N 3.07Å; E117-H121 PolarHBondContact O-CD2 3.44Å; E117-H121 PolarHBondContact O-N 3.34Å
118W98.7Very high97Very high60 Ų6042.8 Ų42.823%0.22720%0.199CC..Hα-helixtrans-55-56-178.1178.3-97000112.2S114 F115 G120 H121 E122 C464 E465 A481S114-W118 WeakPolarHBondContact O-CB 3.3Å; S114-W118 PolarHBondContact O-N 2.81Å; F115-W118 PolarHBondContact O-N 3.29Å; W118-G120 PolarHBondContact O-N 3.04Å; W118-H121 WeakPolarHBondContact O-CA 3.49Å; W118-H121 WeakPolarHBondContact O-CB 3.16Å; W118-H121 PolarHBondContact O-N 3.46Å; W118-E122 PolarHBondContact O-N 3.3Å; W118-C464 HydrophobicContact CB-CB 3.93Å; W118-C464 HydrophobicContact CG-CB 4.06Å; W118-C464 PolarHBondContact NE1-O 2.98Å; W118-E465 HydrophobicContact CE3-CG 3.97Å; W118-E465 HydrophobicContact CH2-CB 4.07Å; W118-E465 HydrophobicContact CH2-CG 3.84Å; W118-E465 HydrophobicContact CZ2-CB 4.49Å; W118-E465 HydrophobicContact CZ3-CB 4.24Å; W118-E465 HydrophobicContact CZ3-CG 3.5Å; W118-A481 PolarHBondContact NE1-O 3.49Å
119F98.6Very high96.9Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-70.9-21.7178.4-73-67.1000112.8L76 F115 E117 H121 E122 A123 A168 A169 A172 A481 L485L76-F119 HydrophobicContact CD1-CB 4.38Å; F115-F119 HydrophobicContact CD1-CE2 4.11Å; F115-F119 WeakPolarHBondContact O-CB 3.49Å; F115-F119 VanDerWaalsContact O-CD2 3.32Å; F115-F119 WeakPolarHBondContact O-CD2 3.29Å; F115-F119 PolarHBondContact O-N 3.35Å; E117-F119 PolarHBondContact O-N 3.08Å; F119-H121 PolarHBondContact O-N 3.4Å; F119-E122 HydrophobicContact CD1-CB 4.16Å; F119-E122 PolarHBondContact O-N 2.84Å; F119-A123 WeakPolarHBondContact O-CB 3.46Å; F119-A123 PolarHBondContact O-N 3.13Å; F119-A168 HydrophobicContact CB-CB 3.95Å; F119-A168 WeakPolarHBondContact CB-O 3.35Å; F119-A168 HydrophobicContact CD2-CB 3.72Å; F119-A168 HydrophobicContact CG-CB 4.22Å; F119-A169 HydrophobicContact CD1-CB 4Å; F119-A169 HydrophobicContact CD2-CB 4.09Å; F119-A169 HydrophobicContact CE1-CB 3.67Å; F119-A169 HydrophobicContact CE2-CB 3.76Å; F119-A169 HydrophobicContact CG-CB 4.21Å; F119-A169 HydrophobicContact CZ-CB 3.54Å; F119-A172 HydrophobicContact CB-CB 3.9Å; F119-A172 WeakPolarHBondContact O-CB 3.22Å; F119-A481 WeakPolarHBondContact CE1-O 3.22Å; F119-A481 VanDerWaalsContact CZ-O 3.24Å; F119-A481 WeakPolarHBondContact CZ-O 3.32Å; F119-L485 HydrophobicContact CD1-CD1 4.5Å; F119-L485 HydrophobicContact CE1-CB 4.26Å
120G98Very high96.8Very high1 Ų153.6 Ų53.61%0.0125%0.252CS..Hα-helixtrans-61.6-31.9166.700000113.2G73 F116 E117 W118G73-G120 WeakPolarHBondContact CA-O 3.41Å; F116-G120 WeakPolarHBondContact O-CA 3.5Å; F116-G120 PolarHBondContact O-N 2.87Å; E117-G120 CarbonylContact O-C 3.55Å; E117-G120 WeakPolarHBondContact O-CA 3.17Å; E117-G120 PolarHBondContact O-N 2.98Å; E117-G120 VanDerWaalsContact O-N 3.07Å; W118-G120 PolarHBondContact O-N 3.04Å
121H97.8Very high96.7Very high74 Ų7452.2 Ų52.234%0.34324%0.244SC..Hα-helixtrans-79.7-45.8169.3-66.3-74.4000112.3E117 W118 F119 A123 R124 R125E117-H121 PolarHBondContact O-CD2 3.44Å; E117-H121 PolarHBondContact O-N 3.34Å; W118-H121 WeakPolarHBondContact O-CA 3.49Å; W118-H121 WeakPolarHBondContact O-CB 3.16Å; W118-H121 PolarHBondContact O-N 3.46Å; F119-H121 PolarHBondContact O-N 3.4Å; H121-A123 PolarHBondContact O-N 3.24Å; H121-R124 PolarHBondContact O-N 3.34Å; H121-R124 VanDerWaalsContact O-N 3.17Å; H121-R125 VanDerWaalsContact CB-NH1 3.33Å; H121-R125 PolarHBondContact O-NH1 2.98Å
122E97.2Very high96.6Very high21 Ų2155.3 Ų55.310%0.09827%0.269CS..Hα-helixtrans-64.4-23.2-178.9-67.3-54.3108.200113.8W118 F119 R124 R125 H482 L485W118-E122 PolarHBondContact O-N 3.3Å; F119-E122 HydrophobicContact CD1-CB 4.16Å; F119-E122 PolarHBondContact O-N 2.84Å; E122-R124 PolarHBondContact O-N 3.04Å; E122-R125 PolarHBondContact O-N 3.46Å; E122-R125 WeakPolarHBondContact OE1-CD 3.44Å; E122-R125 IonicContact OE1-CZ 2.69Å; E122-R125 IonicContact OE1-NE 2.65Å; E122-R125 IonicContact OE1-NH1 2.81Å; E122-R125 PolarHBondContact OE1-NH1 3.38Å; E122-H482 WeakPolarHBondContact OE2-CB 3.33Å; E122-L485 HydrophobicContact CB-CD1 4.05Å
123A95.1Very high96.4Very high0 Ų057.9 Ų57.90%029%0.285CS..THydrogen-bonded Turntrans-51.7-29.8172.800000112.7T69 F119 H121 A172T69-A123 WeakPolarHBondContact CB-O 3.45Å; F119-A123 WeakPolarHBondContact O-CB 3.46Å; F119-A123 PolarHBondContact O-N 3.13Å; H121-A123 PolarHBondContact O-N 3.24Å; A123-A172 HydrophobicContact CB-CB 3.92Å
124R93.2Very high96.2Very high155 Ų15563 Ų6359%0.58531%0.313SS*.THydrogen-bonded Turntrans-92.10.4179.2-60.4-179.767.5-168.8-1.3114H121 E122H121-R124 PolarHBondContact O-N 3.34Å; H121-R124 VanDerWaalsContact O-N 3.17Å; E122-R124 PolarHBondContact O-N 3.04Å
125R94.5Very high96.1Very high112 Ų11267.4 Ų67.442%0.42333%0.33SS..  trans-116.617.7-175.8-56.1-166.1-175.793.61.2113.5H121 E122 Y127H121-R125 VanDerWaalsContact CB-NH1 3.33Å; H121-R125 PolarHBondContact O-NH1 2.98Å; E122-R125 PolarHBondContact O-N 3.46Å; E122-R125 WeakPolarHBondContact OE1-CD 3.44Å; E122-R125 IonicContact OE1-CZ 2.69Å; E122-R125 IonicContact OE1-NE 2.65Å; E122-R125 IonicContact OE1-NH1 2.81Å; E122-R125 PolarHBondContact OE1-NH1 3.38Å; R125-Y127 HydrophobicContact CB-CD2 4.42Å; R125-Y127 HydrophobicContact CB-CE2 3.79Å; R125-Y127 HydrophobicContact CG-CE2 4.23Å; R125-Y127 VanDerWaalsContact O-CD2 3.25Å; R125-Y127 WeakPolarHBondContact O-CD2 3.21Å; R125-Y127 PolarHBondContact O-N 3.47Å
126I91.6Very high95.9Very high35 Ų3576 Ų7618%0.17938%0.376CS..  trans-78.672.3175.4-48.3177.4000108.7R144 A172 L485 T489I126-R144 HydrophobicContact CG2-CB 4Å; I126-R144 HydrophobicContact CG2-CG 3.72Å; I126-A172 WeakPolarHBondContact CD1-O 3.47Å; I126-L485 HydrophobicContact CB-CD2 4.41Å; I126-L485 HydrophobicContact CD1-CD1 3.94Å; I126-L485 HydrophobicContact CD1-CD2 4.05Å; I126-L485 HydrophobicContact CD1-CG 4.49Å; I126-L485 HydrophobicContact CG1-CD1 3.75Å; I126-L485 HydrophobicContact CG1-CD2 3.74Å; I126-L485 HydrophobicContact CG1-CG 4.39Å; I126-L485 HydrophobicContact CG2-CD2 4.03Å; I126-T489 HydrophobicContact CG2-CG2 4.49Å
127Y92.3Very high95.8Very high158 Ų15877.8 Ų77.862%0.6239%0.394SS*.  trans-81147-174.9-57.4-56.6000112.3R125R125-Y127 HydrophobicContact CB-CD2 4.42Å; R125-Y127 HydrophobicContact CB-CE2 3.79Å; R125-Y127 HydrophobicContact CG-CE2 4.23Å; R125-Y127 VanDerWaalsContact O-CD2 3.25Å; R125-Y127 WeakPolarHBondContact O-CD2 3.21Å; R125-Y127 PolarHBondContact O-N 3.47Å
128G92.8Very high95.7Very high45 Ų4575.5 Ų75.546%0.46438%0.381SS..  trans-89.1-171.6159.900000111.5H142G128-H142 CarbonylContact C-O 3.56Å; G128-H142 WeakPolarHBondContact CA-O 3.2Å
129Q96.4Very high95.6Very high107 Ų10776.1 Ų76.150%0.539%0.386SS..EExtended strand (participates in β ladder)trans-133.9134.8178-170-176.26.800110V131 F141 H142Q129-V131 HydrophobicContact CB-CG2 4.38Å; Q129-V131 HydrophobicContact CG-CG2 4.07Å; Q129-F141 CarbonylContact O-C 3.47Å; Q129-F141 WeakPolarHBondContact O-CA 3.39Å; Q129-H142 HydrophobicContact CB-CB 3.98Å; Q129-H142 PolarHBondContact N-O 3.02Å; Q129-H142 PolarHBondContact O-N 2.79Å; Q129-H142 PolarHBondContact OE1-ND1 2.77Å
130I96.9Very high95.6Very high126 Ų12677.2 Ų77.265%0.64639%0.391SS*.EExtended strand (participates in β ladder)trans-86.5120.2161.7-58174.8000106.3F141I130-F141 HydrophobicContact CG1-CD1 4.21Å; I130-F141 HydrophobicContact CG1-CE1 4.37Å
131V96.8Very high95.5Very high27 Ų2779.7 Ų79.716%0.16440%0.402CS..EExtended strand (participates in β ladder)trans-102.5130.5-174.6179.80000108.4Q129 L140 H142Q129-V131 HydrophobicContact CB-CG2 4.38Å; Q129-V131 HydrophobicContact CG-CG2 4.07Å; V131-L140 HydrophobicContact CB-CB 3.74Å; V131-L140 HydrophobicContact CG1-CB 4.24Å; V131-L140 HydrophobicContact CG1-CD1 4.17Å; V131-L140 PolarHBondContact N-O 2.81Å; V131-H142 WeakPolarHBondContact CG2-CE1 3.49Å; V131-H142 WeakPolarHBondContact CG2-ND1 3.4Å
132P96.6Very high95.5Very high106 Ų10678.4 Ų78.469%0.68840%0.396SS*.PPolyproline II helixtrans-53.2129.9175.5-27.535.2000111
133P94.1Very high95.3Very high54 Ų5482 Ų8235%0.35141%0.411SS..PPolyproline II helixtrans-70.8136.8177.230.7-35.1000109.9R138P133-R138 HydrophobicContact CB-CG 3.82Å; P133-R138 WeakPolarHBondContact CB-O 3.33Å; P133-R138 WeakPolarHBondContact CG-O 3.26Å
134N94.5Very high95.1Very high111 Ų11184.4 Ų84.459%0.59442%0.421SS*.SBendtrans-91.96.5174.862.2-63.1000113.6R138N134-R138 VanDerWaalsContact CG-NH2 3.3Å; N134-R138 PolarHBondContact ND2-NH2 3.47Å; N134-R138 VanDerWaalsContact OD1-CZ 3.24Å; N134-R138 PolarHBondContact OD1-NE 2.85Å; N134-R138 PolarHBondContact OD1-NH2 3.33Å
135Q95.9Very high95.1Very high119 Ų11979.7 Ų79.756%0.55641%0.405SS*.SBendtrans-143.7153.2173.1-67.7-179.8-22.700109.2R138Q135-R138 HydrophobicContact CB-CG 4.49Å
136L96.1Very high95.1Very high181 Ų18175 Ų7595%0.94839%0.389SS*.THydrogen-bonded Turntrans-64.8152.3174.1-62.9175.1000111.3R138L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 3.48Å
137G96.3Very high95.3Very high37 Ų3774.4 Ų74.438%0.38139%0.39SS..THydrogen-bonded Turntrans71.920.7174.300000115.6G497 G498 L499G137-G497 CarbonylContact O-C 3.59Å; G137-G498 PolarHBondContact O-N 2.96Å; G137-L499 WeakPolarHBondContact CA-O 3.03Å; G137-L499 PolarHBondContact O-N 3.03Å; G137-L499 VanDerWaalsContact O-N 3.14Å
138R96.5Very high95.5Very high57 Ų5767.1 Ų67.122%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-139.9162.3175.179.3-169.4-161169.525.9114P133 N134 Q135 L136 L496P133-R138 HydrophobicContact CB-CG 3.82Å; P133-R138 WeakPolarHBondContact CB-O 3.33Å; P133-R138 WeakPolarHBondContact CG-O 3.26Å; N134-R138 VanDerWaalsContact CG-NH2 3.3Å; N134-R138 PolarHBondContact ND2-NH2 3.47Å; N134-R138 VanDerWaalsContact OD1-CZ 3.24Å; N134-R138 PolarHBondContact OD1-NE 2.85Å; N134-R138 PolarHBondContact OD1-NH2 3.33Å; Q135-R138 HydrophobicContact CB-CG 4.49Å; L136-R138 VanDerWaalsContact C-N 3.35Å; L136-R138 PolarHBondContact O-N 3.48Å; R138-L496 CarbonylContact C-O 3.41Å; R138-L496 WeakPolarHBondContact CA-O 3.33Å; R138-L496 WeakPolarHBondContact CB-O 3.25Å
139Q97.1Very high95.8Very high72 Ų7265.1 Ų65.134%0.33634%0.342SS..EExtended strand (participates in β ladder)trans-132.7147171.3-70.9-70.50.800110.1F141 C495 L496 L499Q139-F141 HydrophobicContact CB-CE2 3.8Å; Q139-F141 HydrophobicContact CB-CZ 3.86Å; Q139-C495 WeakPolarHBondContact O-CA 3.4Å; Q139-L496 HydrophobicContact CB-CB 4.45Å; Q139-L496 PolarHBondContact N-O 2.76Å; Q139-L496 PolarHBondContact O-N 2.99Å; Q139-L499 HydrophobicContact CB-CD1 3.84Å; Q139-L499 HydrophobicContact CG-CD1 3.29Å
140L97.7Very high95.9Very high23 Ų2360 Ų6012%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-121.6134.9-179.9-64.5174.8000110V131 C495V131-L140 HydrophobicContact CB-CB 3.74Å; V131-L140 HydrophobicContact CG1-CB 4.24Å; V131-L140 HydrophobicContact CG1-CD1 4.17Å; V131-L140 PolarHBondContact N-O 2.81Å; L140-C495 HydrophobicContact CD2-CB 3.67Å
141F96.7Very high96Very high53 Ų5354 Ų5423%0.23229%0.287CS..EExtended strand (participates in β ladder)trans-130.1135.6178.6-52.3-86000109.8Q129 I130 Q139 F143 T493 V494 L496Q129-F141 CarbonylContact O-C 3.47Å; Q129-F141 WeakPolarHBondContact O-CA 3.39Å; I130-F141 HydrophobicContact CG1-CD1 4.21Å; I130-F141 HydrophobicContact CG1-CE1 4.37Å; Q139-F141 HydrophobicContact CB-CE2 3.8Å; Q139-F141 HydrophobicContact CB-CZ 3.86Å; F141-F143 HydrophobicContact CB-CD2 4.14Å; F141-F143 HydrophobicContact CB-CE2 3.48Å; F141-F143 VanDerWaalsContact CB-CE2 3.48Å; F141-F143 HydrophobicContact CB-CZ 3.91Å; F141-F143 HydrophobicContact CG-CE2 4.23Å; F141-F143 HydrophobicContact CG-CZ 4.32Å; F141-T493 CarbonylContact O-C 3.57Å; F141-T493 VanDerWaalsContact O-CA 3.25Å; F141-T493 WeakPolarHBondContact O-CA 3.47Å; F141-V494 HydrophobicContact CB-CB 4.4Å; F141-V494 HydrophobicContact CD2-CB 4.43Å; F141-V494 HydrophobicContact CD2-CG1 4.45Å; F141-V494 PolarHBondContact N-O 2.88Å; F141-V494 PolarHBondContact O-N 3.26Å; F141-L496 HydrophobicContact CE2-CB 4.13Å
142H96.2Very high96.1Very high48 Ų4852.8 Ų52.822%0.22228%0.279CS..EExtended strand (participates in β ladder)trans-101124.3162.1-60.8159.2000109G128 Q129 V131 M491 T493G128-H142 CarbonylContact C-O 3.56Å; G128-H142 WeakPolarHBondContact CA-O 3.2Å; Q129-H142 HydrophobicContact CB-CB 3.98Å; Q129-H142 PolarHBondContact N-O 3.02Å; Q129-H142 PolarHBondContact O-N 2.79Å; Q129-H142 PolarHBondContact OE1-ND1 2.77Å; V131-H142 WeakPolarHBondContact CG2-CE1 3.49Å; V131-H142 WeakPolarHBondContact CG2-ND1 3.4Å; H142-M491 HydrophobicContact CB-CE 3.63Å; H142-T493 PolarHBondContact CD2-OG1 2.95Å; H142-T493 VanDerWaalsContact CD2-OG1 3.27Å
143F93.2Very high96.2Very high95 Ų9548.6 Ų48.642%0.41725%0.251SS..EExtended strand (participates in β ladder)trans-107.7139.4171.5-64.4-84.5000109.6F141 Q145 M491 K492 V494F141-F143 HydrophobicContact CB-CD2 4.14Å; F141-F143 HydrophobicContact CB-CE2 3.48Å; F141-F143 VanDerWaalsContact CB-CE2 3.48Å; F141-F143 HydrophobicContact CB-CZ 3.91Å; F141-F143 HydrophobicContact CG-CE2 4.23Å; F141-F143 HydrophobicContact CG-CZ 4.32Å; F143-Q145 HydrophobicContact CB-CG 4.48Å; F143-M491 WeakPolarHBondContact O-CA 3.21Å; F143-K492 HydrophobicContact CB-CB 4.44Å; F143-K492 PolarHBondContact N-O 3.28Å; F143-K492 PolarHBondContact O-N 3.38Å; F143-V494 HydrophobicContact CD2-CB 4.28Å; F143-V494 HydrophobicContact CD2-CG2 3.67Å; F143-V494 HydrophobicContact CE2-CB 3.8Å; F143-V494 HydrophobicContact CE2-CG2 3.51Å
144R92.5Very high96.4Very high52 Ų5246.3 Ų46.320%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-103.3122172.7-172.8174.2-64.5-86.59.2109.4H62 I126 T489 E490 M491H62-R144 PolarHBondContact CE1-O 2.79Å; H62-R144 PolarHBondContact NE2-O 2.94Å; I126-R144 HydrophobicContact CG2-CB 4Å; I126-R144 HydrophobicContact CG2-CG 3.72Å; R144-T489 WeakPolarHBondContact CD-OG1 3.34Å; R144-T489 VanDerWaalsContact CG-CB 3.44Å; R144-T489 HydrophobicContact CG-CG2 3.74Å; R144-T489 WeakPolarHBondContact CG-OG1 3.48Å; R144-T489 PolarHBondContact NH1-OG1 3.36Å; R144-E490 CarbonylContact C-O 3.5Å; R144-E490 WeakPolarHBondContact CA-O 3.47Å; R144-M491 HydrophobicContact CB-SD 4.04Å; R144-M491 HydrophobicContact CG-SD 4.32Å
145Q92.7Very high96.6Very high55 Ų5541.8 Ų41.826%0.25721%0.212SC..EExtended strand (participates in β ladder)trans-122.3147.5-173.6-49-167.4-70.700112.7H62 F143 A147 T489 E490 K492H62-Q145 PolarHBondContact CD2-NE2 3.09Å; H62-Q145 WeakPolarHBondContact NE2-CA 3.13Å; H62-Q145 WeakPolarHBondContact NE2-CB 3.44Å; F143-Q145 HydrophobicContact CB-CG 4.48Å; Q145-A147 PolarHBondContact O-N 3.14Å; Q145-T489 CarbonylContact O-C 3.58Å; Q145-T489 WeakPolarHBondContact O-CA 3.47Å; Q145-T489 VanDerWaalsContact O-CB 3.27Å; Q145-T489 WeakPolarHBondContact O-CB 3.28Å; Q145-E490 PolarHBondContact N-O 2.86Å; Q145-E490 PolarHBondContact O-N 3.42Å; Q145-K492 VanDerWaalsContact OE1-CD 3.27Å
146P95Very high96.7Very high14 Ų1438.3 Ų38.39%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-63.8139.1173.924.2-28.5000110.4F56 G60 H62 A173 G174 Y488F56-P146 HydrophobicContact CE2-CB 4Å; F56-P146 HydrophobicContact CE2-CG 3.98Å; F56-P146 HydrophobicContact CZ-CB 4.4Å; F56-P146 HydrophobicContact CZ-CG 4.15Å; G60-P146 WeakPolarHBondContact O-CG 3.45Å; H62-P146 WeakPolarHBondContact NE2-CD 3.41Å; P146-A173 WeakPolarHBondContact CB-O 3.39Å; P146-G174 VanDerWaalsContact CB-C 3.49Å; P146-Y488 WeakPolarHBondContact CA-O 3.2Å
147A95.4Very high96.8Very high22 Ų2230.1 Ų30.118%0.18215%0.151CC..  trans-66.7-38.9-176.500000112.8Q145 A230 V231 Y488 E490Q145-A147 PolarHBondContact O-N 3.14Å; A147-A230 VanDerWaalsContact C-CB 3.46Å; A147-A230 HydrophobicContact CB-CB 4.11Å; A147-A230 WeakPolarHBondContact O-CB 3.21Å; A147-V231 HydrophobicContact CB-CG2 3.57Å; A147-Y488 PolarHBondContact N-O 2.87Å; A147-E490 HydrophobicContact CB-CG 4.36Å
148G96.2Very high96.9Very high5 Ų529.4 Ų29.45%0.05214%0.138CC..SBendtrans146.3-141.7-178.200000113.7C175 T176G148-C175 WeakPolarHBondContact O-CA 3.43Å; G148-C175 WeakPolarHBondContact O-CB 3.21Å; G148-C175 PolarHBondContact O-SG 3.33Å; G148-T176 PolarHBondContact O-N 3.24Å
149V98.2Very high97Very high4 Ų426.8 Ų26.82%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-75128.6170.9-177.30000109.3A52 V178 D228 I229 A230 V231A52-V149 HydrophobicContact CB-CG1 3.7Å; A52-V149 HydrophobicContact CB-CG2 4.11Å; V149-V178 HydrophobicContact CG1-CG2 4.25Å; V149-D228 WeakPolarHBondContact CB-O 3.22Å; V149-I229 HydrophobicContact CG1-CG1 4.28Å; V149-A230 PolarHBondContact O-N 2.85Å; V149-V231 PolarHBondContact O-N 2.83Å
150A98.7Very high97.1Very high0 Ų023.6 Ų23.60%011%0.114CC..EExtended strand (participates in β ladder)trans-103.9118.8174.200000110.2M152 A170 C175 T176 C177 V178 V231 Y488A150-M152 HydrophobicContact CB-CE 3.89Å; A150-A170 HydrophobicContact CB-CB 4.36Å; A150-C175 HydrophobicContact CB-CB 4.41Å; A150-T176 PolarHBondContact N-O 3.49Å; A150-C177 WeakPolarHBondContact O-CA 3.29Å; A150-V178 PolarHBondContact O-N 2.99Å; A150-V231 CarbonylContact C-O 3.58Å; A150-V231 WeakPolarHBondContact CA-O 3.41Å; A150-V231 HydrophobicContact CB-CB 4.11Å; A150-Y488 HydrophobicContact CB-CD1 4.16Å; A150-Y488 HydrophobicContact CB-CE1 4.12Å
151A98.9Very high97.1Very high0 Ų022.5 Ų22.50%011%0.108CC..EExtended strand (participates in β ladder)trans-91.1134.117000000109.8V178 F223 I229 V231 L232 S233A151-V178 WeakPolarHBondContact CA-O 3.46Å; A151-F223 HydrophobicContact CB-CB 3.98Å; A151-F223 HydrophobicContact CB-CD1 3.76Å; A151-F223 HydrophobicContact CB-CD2 3.73Å; A151-F223 HydrophobicContact CB-CE1 4.03Å; A151-F223 HydrophobicContact CB-CE2 4.02Å; A151-F223 HydrophobicContact CB-CG 3.58Å; A151-F223 HydrophobicContact CB-CZ 4.15Å; A151-I229 HydrophobicContact CB-CD1 3.63Å; A151-I229 HydrophobicContact CB-CG1 4.18Å; A151-I229 HydrophobicContact CB-CG2 3.84Å; A151-V231 PolarHBondContact N-O 3.41Å; A151-L232 HydrophobicContact CB-CD1 4.13Å; A151-S233 PolarHBondContact O-N 3.35Å
152M98.8Very high97.2Very high0 Ų020.4 Ų20.40%010%0.099CC..EExtended strand (participates in β ladder)trans-128.9128-172.9-57178.2176.100110.7A150 K166 V167 A170 C177 V178 V179 K180 S233 Y488A150-M152 HydrophobicContact CB-CE 3.89Å; M152-K166 HydrophobicContact CB-CD 4.42Å; M152-K166 HydrophobicContact CE-CB 3.99Å; M152-K166 WeakPolarHBondContact CE-O 3.43Å; M152-K166 HydrophobicContact CG-CB 4.48Å; M152-K166 HydrophobicContact SD-CB 3.6Å; M152-K166 VanDerWaalsContact SD-CB 3.6Å; M152-V167 HydrophobicContact CE-CG2 4.4Å; M152-V167 HydrophobicContact SD-CB 4.46Å; M152-V167 HydrophobicContact SD-CG2 3.53Å; M152-V167 VanDerWaalsContact SD-CG2 3.53Å; M152-A170 HydrophobicContact CE-CB 3.43Å; M152-A170 VanDerWaalsContact CE-CB 3.43Å; M152-C177 HydrophobicContact CE-CB 4.28Å; M152-C177 WeakPolarHBondContact CE-SG 3.46Å; M152-C177 HydrophobicContact SD-CB 4.35Å; M152-V178 PolarHBondContact N-O 2.61Å; M152-V179 HydrophobicContact CB-CG2 4.15Å; M152-V179 CarbonylContact O-C 3.54Å; M152-V179 WeakPolarHBondContact O-CA 3.39Å; M152-V179 HydrophobicContact SD-CG2 4.22Å; M152-K180 PolarHBondContact O-N 3.41Å; M152-S233 VanDerWaalsContact CA-O 3.26Å; M152-S233 WeakPolarHBondContact CA-O 3.38Å; M152-Y488 HydrophobicContact CE-CE1 3.98Å
153I98.8Very high97.3Very high19 Ų1918.1 Ų18.110%0.0979%0.089CC..EExtended strand (participates in β ladder)trans-118.1121.4172.7-61.2167.1000107.2K180 F223 L232 S233 F234 T235 L244I153-K180 WeakPolarHBondContact CA-O 3.39Å; I153-K180 HydrophobicContact CG1-CB 4.35Å; I153-F223 HydrophobicContact CD1-CD2 3.97Å; I153-F223 HydrophobicContact CD1-CE2 4.45Å; I153-F223 HydrophobicContact CG1-CD2 3.88Å; I153-F223 HydrophobicContact CG1-CE2 3.89Å; I153-L232 HydrophobicContact CD1-CD1 4.48Å; I153-S233 PolarHBondContact N-O 3.17Å; I153-F234 HydrophobicContact CB-CD2 3.78Å; I153-F234 HydrophobicContact CB-CE2 4.47Å; I153-F234 HydrophobicContact CG2-CD2 3.67Å; I153-F234 HydrophobicContact CG2-CE2 3.86Å; I153-F234 WeakPolarHBondContact O-CA 3.45Å; I153-T235 PolarHBondContact O-N 2.79Å; I153-L244 HydrophobicContact CD1-CD1 4.03Å; I153-L244 HydrophobicContact CD1-CD2 4.15Å
154T98.5Very high97.6Very high5 Ų513.6 Ų13.63%0.0317%0.069CC..  trans-121.2151.4-171.4580000112.7M162 I163 K166 K180 A182T154-M162 HydrophobicContact CG2-CB 4.32Å; T154-I163 HydrophobicContact CG2-CG1 3.74Å; T154-I163 WeakPolarHBondContact OG1-CG1 3.4Å; T154-K166 HydrophobicContact CG2-CD 3.94Å; T154-K180 PolarHBondContact N-O 2.82Å; T154-A182 PolarHBondContact O-N 3.26Å; T154-A182 VanDerWaalsContact O-N 3.14Å
155P98.2Very high97.9Very high16 Ų1611.4 Ų11.410%0.1046%0.06CC..  trans-83.4172.4-17638.3-40.5000111.3N157 M162 T235P155-N157 WeakPolarHBondContact CB-OD1 3.33Å; P155-N157 VanDerWaalsContact CG-OD1 3.22Å; P155-N157 WeakPolarHBondContact CG-OD1 3.42Å; P155-M162 HydrophobicContact CG-CB 4.3Å; P155-M162 HydrophobicContact CG-CG 3.71Å; P155-T235 WeakPolarHBondContact CD-O 3.28Å; P155-T235 HydrophobicContact CG-CG2 3.79Å
156W98.4Very high98.2Very high47 Ų478.8 Ų8.818%0.1785%0.048CC..SBendtrans-85.2-19.3-178.553.1-101.5000114.6Q98 P159 A182 D184 T185 Q290 I336 F389Q98-W156 HydrophobicContact CG-CE3 4.49Å; Q98-W156 WeakPolarHBondContact CG-O 3.35Å; W156-P159 WeakPolarHBondContact O-CD 3.48Å; W156-A182 HydrophobicContact CB-CB 3.71Å; W156-D184 HydrophobicContact CB-CB 4.12Å; W156-T185 WeakPolarHBondContact CA-OG1 3.29Å; W156-T185 HydrophobicContact CB-CG2 3.94Å; W156-T185 WeakPolarHBondContact O-CG2 3.44Å; W156-Q290 HydrophobicContact CH2-CB 3.73Å; W156-Q290 HydrophobicContact CH2-CG 3.87Å; W156-Q290 HydrophobicContact CZ3-CB 3.87Å; W156-Q290 HydrophobicContact CZ3-CG 4.22Å; W156-I336 HydrophobicContact CD2-CB 4.09Å; W156-I336 HydrophobicContact CD2-CD1 4.37Å; W156-I336 HydrophobicContact CD2-CG1 3.82Å; W156-I336 HydrophobicContact CD2-CG2 4.08Å; W156-I336 HydrophobicContact CE3-CB 3.68Å; W156-I336 HydrophobicContact CE3-CD1 3.87Å; W156-I336 HydrophobicContact CE3-CG1 3.65Å; W156-I336 HydrophobicContact CE3-CG2 4.06Å; W156-I336 HydrophobicContact CG-CG1 4.22Å; W156-I336 HydrophobicContact CH2-CB 3.86Å; W156-I336 HydrophobicContact CH2-CG2 3.55Å; W156-I336 HydrophobicContact CZ2-CB 4.27Å; W156-I336 HydrophobicContact CZ2-CG2 3.58Å; W156-I336 HydrophobicContact CZ3-CB 3.58Å; W156-I336 HydrophobicContact CZ3-CD1 4.46Å; W156-I336 HydrophobicContact CZ3-CG1 4.11Å; W156-I336 HydrophobicContact CZ3-CG2 3.83Å; W156-F389 AromaticContact CH2-CD1 3.58Å; W156-F389 HydrophobicContact CH2-CD1 3.58Å; W156-F389 AromaticContact CH2-CE1 3.31Å; W156-F389 HydrophobicContact CH2-CE1 3.31Å; W156-F389 AromaticContact CZ2-CD1 3.71Å; W156-F389 HydrophobicContact CZ2-CD1 3.71Å; W156-F389 AromaticContact CZ2-CE1 3.42Å; W156-F389 HydrophobicContact CZ2-CE1 3.42Å; W156-F389 VanDerWaalsContact CZ2-CE1 3.42Å; W156-F389 HydrophobicContact CZ2-CZ 4.49Å; W156-F389 HydrophobicContact CZ3-CE1 4.15Å
157N98.4Very high98.3Very high8 Ų88.1 Ų8.14%0.0434%0.044CC..SBendtrans-78.5-28.4-167.765.9-35.4000113.9K100 P155 Q290 F389K100-N157 WeakPolarHBondContact CE-O 3.1Å; K100-N157 PolarHBondContact NZ-O 2.68Å; P155-N157 WeakPolarHBondContact CB-OD1 3.33Å; P155-N157 VanDerWaalsContact CG-OD1 3.22Å; P155-N157 WeakPolarHBondContact CG-OD1 3.42Å; N157-Q290 VanDerWaalsContact CB-O 3.22Å; N157-Q290 WeakPolarHBondContact CB-O 3.45Å; N157-Q290 PolarHBondContact ND2-O 2.71Å; N157-F389 HydrophobicContact CB-CE1 4.03Å; N157-F389 HydrophobicContact CB-CZ 4.16Å; N157-F389 WeakPolarHBondContact ND2-CZ 3.4Å
158F98.6Very high98.5Very high23 Ų237.1 Ų7.110%0.1014%0.035CC..SBendtrans-13368.5171-76.6-98.1000108.7E108 S160 A161 M162 T291E108-F158 HydrophobicContact CG-CD1 3.95Å; E108-F158 WeakPolarHBondContact OE1-CA 3.45Å; F158-S160 PolarHBondContact O-N 3.48Å; F158-A161 HydrophobicContact CB-CB 4.34Å; F158-A161 HydrophobicContact CD1-CB 4.48Å; F158-A161 PolarHBondContact O-N 3.43Å; F158-M162 HydrophobicContact CB-CE 4.08Å; F158-M162 HydrophobicContact CB-CG 3.83Å; F158-M162 WeakPolarHBondContact O-CB 3.33Å; F158-M162 WeakPolarHBondContact O-CG 3.48Å; F158-M162 PolarHBondContact O-N 3.39Å; F158-T291 HydrophobicContact CE2-CG2 3.6Å; F158-T291 HydrophobicContact CZ-CG2 3.9Å
159P98.6Very high98.6Very high2 Ų27 Ų71%0.0133%0.034CC..THydrogen-bonded Turntrans-70.5-19.6-164.732.6-37.2000113.1L94 E108 W156 I163 T185L94-P159 HydrophobicContact CD1-CG 4.22Å; L94-P159 HydrophobicContact CD2-CG 4.42Å; L94-P159 HydrophobicContact CG-CG 3.96Å; E108-P159 WeakPolarHBondContact OE1-CD 3.42Å; E108-P159 VanDerWaalsContact OE1-N 3.13Å; W156-P159 WeakPolarHBondContact O-CD 3.48Å; P159-I163 WeakPolarHBondContact O-CD1 3.42Å; P159-I163 WeakPolarHBondContact O-CG1 3.39Å; P159-T185 HydrophobicContact CB-CG2 4.49Å; P159-T185 VanDerWaalsContact CB-OG1 3.27Å; P159-T185 WeakPolarHBondContact CB-OG1 3.33Å; P159-T185 HydrophobicContact CG-CG2 4.38Å
160S98.8Very high98.6Very high4 Ų46.8 Ų6.83%0.0283%0.033CC..THydrogen-bonded Turntrans-90.9-49.5171.8-68.70000111.4E108 S112 F158 M162 I163 A164 S188E108-S160 WeakPolarHBondContact OE1-CA 3.26Å; E108-S160 PolarHBondContact OE1-N 3.35Å; S112-S160 WeakPolarHBondContact OG-CB 3.48Å; F158-S160 PolarHBondContact O-N 3.48Å; S160-M162 PolarHBondContact O-N 2.56Å; S160-I163 PolarHBondContact O-N 3.34Å; S160-A164 WeakPolarHBondContact O-CB 3.44Å; S160-A164 PolarHBondContact O-N 3.07Å; S160-S188 WeakPolarHBondContact OG-CB 3.47Å; S160-S188 PolarHBondContact OG-OG 2.88Å
161A98.5Very high98.6Very high0 Ų06.8 Ų6.80%03%0.033CC..Hα-helixtrans-70.7-34.2-17100000113.6E108 Y111 S112 F158 I163 A164 R165E108-A161 HydrophobicContact CG-CB 3.68Å; E108-A161 PolarHBondContact OE1-N 2.84Å; Y111-A161 HydrophobicContact CD1-CB 3.58Å; Y111-A161 HydrophobicContact CE1-CB 3.97Å; S112-A161 WeakPolarHBondContact OG-CA 3.43Å; S112-A161 PolarHBondContact OG-N 3Å; F158-A161 HydrophobicContact CB-CB 4.34Å; F158-A161 HydrophobicContact CD1-CB 4.48Å; F158-A161 PolarHBondContact O-N 3.43Å; A161-I163 VanDerWaalsContact C-N 3.32Å; A161-A164 PolarHBondContact O-N 3.5Å; A161-R165 VanDerWaalsContact O-CB 3.28Å; A161-R165 WeakPolarHBondContact O-CB 3.07Å; A161-R165 PolarHBondContact O-N 2.93Å
162M98.5Very high98.5Very high9 Ų96.8 Ų6.84%0.0443%0.033CC..Hα-helixtrans-67.9-35.6177.3-62.5-61.494.500111.8T154 P155 F158 S160 K166 T235T154-M162 HydrophobicContact CG2-CB 4.32Å; P155-M162 HydrophobicContact CG-CB 4.3Å; P155-M162 HydrophobicContact CG-CG 3.71Å; F158-M162 HydrophobicContact CB-CE 4.08Å; F158-M162 HydrophobicContact CB-CG 3.83Å; F158-M162 WeakPolarHBondContact O-CB 3.33Å; F158-M162 WeakPolarHBondContact O-CG 3.48Å; F158-M162 PolarHBondContact O-N 3.39Å; S160-M162 PolarHBondContact O-N 2.56Å; M162-K166 WeakPolarHBondContact O-CG 3.43Å; M162-K166 PolarHBondContact O-N 2.83Å; M162-T235 HydrophobicContact SD-CG2 4.02Å
163I98.8Very high98.3Very high1 Ų16.9 Ų6.91%0.0053%0.033CC..Hα-helixtrans-69.1-50.5173.3-63.3177.4000109.3T154 P159 S160 A161 R165 K166 V167 V179 A189 L192 F206T154-I163 HydrophobicContact CG2-CG1 3.74Å; T154-I163 WeakPolarHBondContact OG1-CG1 3.4Å; P159-I163 WeakPolarHBondContact O-CD1 3.42Å; P159-I163 WeakPolarHBondContact O-CG1 3.39Å; S160-I163 PolarHBondContact O-N 3.34Å; A161-I163 VanDerWaalsContact C-N 3.32Å; I163-R165 VanDerWaalsContact C-N 3.33Å; I163-R165 PolarHBondContact O-N 3.16Å; I163-K166 PolarHBondContact O-N 3.41Å; I163-V167 HydrophobicContact CG2-CG2 3.64Å; I163-V167 WeakPolarHBondContact O-CB 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.39Å; I163-V167 PolarHBondContact O-N 2.84Å; I163-V179 HydrophobicContact CD1-CG1 3.99Å; I163-V179 HydrophobicContact CG1-CG1 4.1Å; I163-V179 HydrophobicContact CG2-CG1 4.48Å; I163-V179 HydrophobicContact CG2-CG2 4.45Å; I163-A189 HydrophobicContact CD1-CB 3.27Å; I163-L192 HydrophobicContact CB-CD1 3.65Å; I163-L192 HydrophobicContact CD1-CD1 4.3Å; I163-L192 HydrophobicContact CG2-CD1 3.55Å; I163-F206 HydrophobicContact CG2-CE2 4.34Å; I163-F206 HydrophobicContact CG2-CZ 4.17Å
164A98.8Very high98.2Very high0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-55.7-46.6-178.600000112.3F116 S160 A161 K166 A168F116-A164 HydrophobicContact CD2-CB 4.03Å; F116-A164 HydrophobicContact CE2-CB 3.44Å; F116-A164 VanDerWaalsContact CE2-CB 3.44Å; F116-A164 HydrophobicContact CZ-CB 4.04Å; S160-A164 WeakPolarHBondContact O-CB 3.44Å; S160-A164 PolarHBondContact O-N 3.07Å; A161-A164 PolarHBondContact O-N 3.5Å; A164-K166 PolarHBondContact O-N 3.3Å; A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 3.3Å
165R98.5Very high98.1Very high5 Ų55.7 Ų5.72%0.0193%0.027CC..Hα-helixtrans-59.3-46.7179.2-174.2-168.7-68.8180-7.6112.9Y111 F115 A161 I163 F468 E479Y111-R165 PolarHBondContact OH-NH2 3.17Å; F115-R165 HydrophobicContact CD1-CB 4.13Å; F115-R165 HydrophobicContact CD1-CG 3.91Å; F115-R165 HydrophobicContact CD2-CB 3.81Å; F115-R165 HydrophobicContact CD2-CG 4.38Å; F115-R165 HydrophobicContact CE1-CB 4.11Å; F115-R165 HydrophobicContact CE1-CG 3.6Å; F115-R165 HydrophobicContact CE2-CB 3.77Å; F115-R165 HydrophobicContact CE2-CG 4.07Å; F115-R165 HydrophobicContact CG-CB 3.99Å; F115-R165 HydrophobicContact CG-CG 4.3Å; F115-R165 HydrophobicContact CZ-CB 3.93Å; F115-R165 HydrophobicContact CZ-CG 3.67Å; F115-R165 VanDerWaalsContact CZ-NE 3.28Å; A161-R165 VanDerWaalsContact O-CB 3.28Å; A161-R165 WeakPolarHBondContact O-CB 3.07Å; A161-R165 PolarHBondContact O-N 2.93Å; I163-R165 VanDerWaalsContact C-N 3.33Å; I163-R165 PolarHBondContact O-N 3.16Å; R165-F468 VanDerWaalsContact NH1-CE1 3.26Å; R165-F468 VanDerWaalsContact NH1-CG 3.28Å; R165-E479 WeakPolarHBondContact CD-OE2 3.38Å; R165-E479 HydrophobicContact CG-CB 4.08Å; R165-E479 IonicContact CZ-OE2 3.64Å; R165-E479 IonicContact NE-OE2 3.55Å; R165-E479 IonicContact NH1-OE2 3.17Å; R165-E479 PolarHBondContact NH1-OE2 2.9Å
166K98.6Very high98.1Very high1 Ų15 Ų50%0.0042%0.022CC..Hα-helixtrans-72.8-49.3-179.8-66.3175.8-175.7-64.70112M152 T154 M162 I163 A164 A169 A170 S233 F234 T235 E479M152-K166 HydrophobicContact CB-CD 4.42Å; M152-K166 HydrophobicContact CE-CB 3.99Å; M152-K166 WeakPolarHBondContact CE-O 3.43Å; M152-K166 HydrophobicContact CG-CB 4.48Å; M152-K166 HydrophobicContact SD-CB 3.6Å; M152-K166 VanDerWaalsContact SD-CB 3.6Å; T154-K166 HydrophobicContact CG2-CD 3.94Å; M162-K166 WeakPolarHBondContact O-CG 3.43Å; M162-K166 PolarHBondContact O-N 2.83Å; I163-K166 PolarHBondContact O-N 3.41Å; A164-K166 PolarHBondContact O-N 3.3Å; K166-A169 PolarHBondContact O-N 3Å; K166-A170 WeakPolarHBondContact O-CB 3.2Å; K166-A170 PolarHBondContact O-N 3.45Å; K166-S233 WeakPolarHBondContact CD-OG 3.48Å; K166-S233 PolarHBondContact NZ-OG 3.42Å; K166-F234 PolarHBondContact NZ-O 3.46Å; K166-T235 WeakPolarHBondContact CE-OG1 3.14Å; K166-T235 PolarHBondContact NZ-OG1 3.4Å; K166-E479 WeakPolarHBondContact CE-OE1 3.34Å; K166-E479 WeakPolarHBondContact CG-OE1 3.33Å; K166-E479 IonicContact NZ-OE1 2.95Å; K166-E479 PolarHBondContact NZ-OE1 2.86Å
167V98.8Very high98.1Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-65.9-43.8-175.7173.60000110.8W79 F116 M152 I163 A169 A170 L171 V179 F206W79-V167 HydrophobicContact CH2-CG1 4.16Å; W79-V167 HydrophobicContact CZ3-CG1 4.38Å; F116-V167 HydrophobicContact CE1-CG1 4.4Å; M152-V167 HydrophobicContact CE-CG2 4.4Å; M152-V167 HydrophobicContact SD-CB 4.46Å; M152-V167 HydrophobicContact SD-CG2 3.53Å; M152-V167 VanDerWaalsContact SD-CG2 3.53Å; I163-V167 HydrophobicContact CG2-CG2 3.64Å; I163-V167 WeakPolarHBondContact O-CB 3.24Å; I163-V167 WeakPolarHBondContact O-CG2 3.39Å; I163-V167 PolarHBondContact O-N 2.84Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 2.89Å; V167-A170 PolarHBondContact O-N 3.46Å; V167-L171 HydrophobicContact CG1-CD1 3.56Å; V167-L171 HydrophobicContact CG1-CG 3.84Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 2.93Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-V179 HydrophobicContact CG2-CG2 3.99Å; V167-F206 HydrophobicContact CB-CE2 4.41Å; V167-F206 HydrophobicContact CG1-CD2 3.85Å; V167-F206 HydrophobicContact CG1-CE2 3.92Å; V167-F206 HydrophobicContact CG2-CD2 4.17Å; V167-F206 HydrophobicContact CG2-CE2 3.59Å
168A98.8Very high98.2Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-60.7-44.4-179.700000111.7F115 F116 F119 A164 A172F115-A168 HydrophobicContact CB-CB 4.23Å; F116-A168 HydrophobicContact CD1-CB 3.72Å; F116-A168 HydrophobicContact CE1-CB 4.05Å; F116-A168 HydrophobicContact CG-CB 4.25Å; F119-A168 HydrophobicContact CB-CB 3.95Å; F119-A168 WeakPolarHBondContact CB-O 3.35Å; F119-A168 HydrophobicContact CD2-CB 3.72Å; F119-A168 HydrophobicContact CG-CB 4.22Å; A164-A168 WeakPolarHBondContact O-CB 3.36Å; A164-A168 PolarHBondContact O-N 3.3Å; A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.86Å
169A98.5Very high98.2Very high2 Ų21.2 Ų1.22%0.0171%0.007CC..Hα-helixtrans-62.6-49.8175.900000112.4F119 K166 V167 A172 A173 Y488F119-A169 HydrophobicContact CD1-CB 4Å; F119-A169 HydrophobicContact CD2-CB 4.09Å; F119-A169 HydrophobicContact CE1-CB 3.67Å; F119-A169 HydrophobicContact CE2-CB 3.76Å; F119-A169 HydrophobicContact CG-CB 4.21Å; F119-A169 HydrophobicContact CZ-CB 3.54Å; K166-A169 PolarHBondContact O-N 3Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 2.89Å; A169-A172 PolarHBondContact O-N 3.09Å; A169-A173 WeakPolarHBondContact O-CB 3.35Å; A169-A173 PolarHBondContact O-N 2.83Å; A169-Y488 HydrophobicContact CB-CD2 3.76Å; A169-Y488 HydrophobicContact CB-CE2 3.58Å
170A98.3Very high98.2Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-61.9-46.6-179.300000112.3A150 M152 K166 V167 A173 G174 C175 Y488A150-A170 HydrophobicContact CB-CB 4.36Å; M152-A170 HydrophobicContact CE-CB 3.43Å; M152-A170 VanDerWaalsContact CE-CB 3.43Å; K166-A170 WeakPolarHBondContact O-CB 3.2Å; K166-A170 PolarHBondContact O-N 3.45Å; V167-A170 PolarHBondContact O-N 3.46Å; A170-A173 WeakPolarHBondContact O-CB 3.23Å; A170-A173 PolarHBondContact O-N 3.03Å; A170-G174 PolarHBondContact O-N 2.96Å; A170-C175 HydrophobicContact CB-CB 4.07Å; A170-C175 WeakPolarHBondContact O-CB 3.42Å; A170-C175 PolarHBondContact O-N 3.22Å; A170-Y488 HydrophobicContact CB-CD1 3.55Å; A170-Y488 HydrophobicContact CB-CD2 4.22Å; A170-Y488 HydrophobicContact CB-CE1 3.69Å; A170-Y488 HydrophobicContact CB-CE2 4.36Å; A170-Y488 HydrophobicContact CB-CG 3.83Å
171L97.9Very high98.2Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-67.3-36.9179.2-67.8-170000111.8W59 R72 L76 W79 V167 G174 C175 L201 V205W59-L171 HydrophobicContact CZ2-CB 4.11Å; W59-L171 HydrophobicContact CZ2-CD2 4.48Å; W59-L171 WeakPolarHBondContact CZ2-O 3.39Å; W59-L171 PolarHBondContact NE1-O 2.7Å; R72-L171 WeakPolarHBondContact CD-O 3.46Å; L76-L171 HydrophobicContact CD2-CB 3.84Å; L76-L171 HydrophobicContact CD2-CD1 4Å; W79-L171 HydrophobicContact CZ3-CD1 3.85Å; V167-L171 HydrophobicContact CG1-CD1 3.56Å; V167-L171 HydrophobicContact CG1-CG 3.84Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 2.93Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 3.2Å; L171-G174 PolarHBondContact O-N 3.01Å; L171-C175 VanDerWaalsContact CD2-O 3.27Å; L171-C175 WeakPolarHBondContact CD2-O 2.87Å; L171-L201 HydrophobicContact CD1-CD1 4.37Å; L171-L201 HydrophobicContact CD1-CD2 4.07Å; L171-V205 HydrophobicContact CD1-CG1 4.42Å; L171-V205 HydrophobicContact CD2-CG1 3.42Å; L171-V205 VanDerWaalsContact CD2-CG1 3.42Å
172A96.8Very high98.2Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-61.2-47.5173.600000111.2R72 L76 F119 A123 I126 A168 A169 G174 L485R72-A172 PolarHBondContact NE-O 2.81Å; R72-A172 VanDerWaalsContact NE-O 3.13Å; R72-A172 PolarHBondContact NH2-O 2.82Å; R72-A172 VanDerWaalsContact NH2-O 3.12Å; L76-A172 HydrophobicContact CD1-CB 3.73Å; F119-A172 HydrophobicContact CB-CB 3.9Å; F119-A172 WeakPolarHBondContact O-CB 3.22Å; A123-A172 HydrophobicContact CB-CB 3.92Å; I126-A172 WeakPolarHBondContact CD1-O 3.47Å; A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.4Å; A168-A172 PolarHBondContact O-N 2.86Å; A169-A172 PolarHBondContact O-N 3.09Å; A172-G174 PolarHBondContact O-N 3.09Å; A172-L485 HydrophobicContact CB-CD1 4.26Å
173A95.6Very high98.1Very high2 Ų23.3 Ų3.32%0.0172%0.018CC..Hα-helixtrans-55.3-34.5174.600000112.2R72 P146 A169 A170 L485 T489R72-A173 PolarHBondContact NH2-O 3.35Å; P146-A173 WeakPolarHBondContact CB-O 3.39Å; A169-A173 WeakPolarHBondContact O-CB 3.35Å; A169-A173 PolarHBondContact O-N 2.83Å; A170-A173 WeakPolarHBondContact O-CB 3.23Å; A170-A173 PolarHBondContact O-N 3.03Å; A173-L485 HydrophobicContact CB-CD2 4.5Å; A173-L485 HydrophobicContact CB-CG 4.32Å; A173-T489 HydrophobicContact CB-CG2 3.83Å
174G95.9Very high98.1Very high0 Ų05 Ų50%03%0.027CC..THydrogen-bonded Turntrans109.210.2-176.800000113.2F56 W59 G60 P146 A170 L171 A172F56-G174 WeakPolarHBondContact CD2-O 3.44Å; F56-G174 VanDerWaalsContact CE2-O 3.31Å; F56-G174 WeakPolarHBondContact CE2-O 3.46Å; W59-G174 VanDerWaalsContact CD1-O 3.22Å; G60-G174 WeakPolarHBondContact CA-O 3.38Å; P146-G174 VanDerWaalsContact CB-C 3.49Å; A170-G174 PolarHBondContact O-N 2.96Å; L171-G174 PolarHBondContact O-N 3.01Å; A172-G174 PolarHBondContact O-N 3.09Å
175C97.1Very high98.1Very high0 Ų05.1 Ų5.10%03%0.027CC..  trans-72.3159.8169.3-64.70000110.8W59 G148 A150 A170 L171 Y488W59-C175 PolarHBondContact NE1-O 3.2Å; G148-C175 WeakPolarHBondContact O-CA 3.43Å; G148-C175 WeakPolarHBondContact O-CB 3.21Å; G148-C175 PolarHBondContact O-SG 3.33Å; A150-C175 HydrophobicContact CB-CB 4.41Å; A170-C175 HydrophobicContact CB-CB 4.07Å; A170-C175 WeakPolarHBondContact O-CB 3.42Å; A170-C175 PolarHBondContact O-N 3.22Å; L171-C175 VanDerWaalsContact CD2-O 3.27Å; L171-C175 WeakPolarHBondContact CD2-O 2.87Å; C175-Y488 PolarHBondContact SG-O 2.93Å
176T98.1Very high98.1Very high0 Ų04.9 Ų4.90%03%0.026CC..EExtended strand (participates in β ladder)trans-107.9154.8167.153.60000109.5A52 A55 F56 W59 G148 A150 V205A52-T176 PolarHBondContact O-OG1 3.1Å; A55-T176 HydrophobicContact CB-CG2 4.11Å; F56-T176 HydrophobicContact CB-CG2 4Å; W59-T176 HydrophobicContact CB-CG2 4.17Å; W59-T176 HydrophobicContact CG-CG2 4.27Å; G148-T176 PolarHBondContact O-N 3.24Å; A150-T176 PolarHBondContact N-O 3.49Å; T176-V205 WeakPolarHBondContact CA-O 3.28Å; T176-V205 HydrophobicContact CG2-CB 4.44Å; T176-V205 HydrophobicContact CG2-CG1 4.45Å; T176-V205 HydrophobicContact CG2-CG2 4.32Å
177C98.9Very high98.1Very high0 Ų04.8 Ų4.80%03%0.026CC..EExtended strand (participates in β ladder)trans-122138.7-166.8-59.40000112.8A150 M152 V205 F206 N207A150-C177 WeakPolarHBondContact O-CA 3.29Å; M152-C177 HydrophobicContact CE-CB 4.28Å; M152-C177 WeakPolarHBondContact CE-SG 3.46Å; M152-C177 HydrophobicContact SD-CB 4.35Å; C177-V205 PolarHBondContact N-O 2.83Å; C177-F206 HydrophobicContact CB-CD2 4.09Å; C177-N207 PolarHBondContact O-N 2.77Å; C177-N207 PolarHBondContact O-ND2 3.35Å
178V98.9Very high98.1Very high0 Ų04.9 Ų4.90%03%0.027CC..EExtended strand (participates in β ladder)trans-122.7113.9164.9-174.10000108.3A48 I49 A52 V149 A150 A151 M152 I209 F223A48-V178 HydrophobicContact CB-CG1 3.72Å; A48-V178 HydrophobicContact CB-CG2 4.27Å; I49-V178 HydrophobicContact CG1-CG2 4.44Å; A52-V178 HydrophobicContact CB-CG2 3.73Å; V149-V178 HydrophobicContact CG1-CG2 4.25Å; A150-V178 PolarHBondContact O-N 2.99Å; A151-V178 WeakPolarHBondContact CA-O 3.46Å; M152-V178 PolarHBondContact N-O 2.61Å; V178-I209 HydrophobicContact CG1-CD1 3.83Å; V178-I209 HydrophobicContact CG1-CG1 4.04Å; V178-F223 HydrophobicContact CB-CE1 4.29Å; V178-F223 HydrophobicContact CB-CZ 4.34Å; V178-F223 HydrophobicContact CG1-CE1 3.83Å; V178-F223 HydrophobicContact CG1-CZ 3.83Å
179V98.9Very high98.1Very high0 Ų04.9 Ų4.90%03%0.027CC..EExtended strand (participates in β ladder)trans-105.9125-175-176.50000110.7M152 I163 V167 P181 F206 N207 V208 I209M152-V179 HydrophobicContact CB-CG2 4.15Å; M152-V179 CarbonylContact O-C 3.54Å; M152-V179 WeakPolarHBondContact O-CA 3.39Å; M152-V179 HydrophobicContact SD-CG2 4.22Å; I163-V179 HydrophobicContact CD1-CG1 3.99Å; I163-V179 HydrophobicContact CG1-CG1 4.1Å; I163-V179 HydrophobicContact CG2-CG1 4.48Å; I163-V179 HydrophobicContact CG2-CG2 4.45Å; V167-V179 HydrophobicContact CG2-CG2 3.99Å; V179-P181 WeakPolarHBondContact O-CD 3.43Å; V179-F206 HydrophobicContact CB-CE2 4.49Å; V179-F206 HydrophobicContact CG2-CD2 4.34Å; V179-F206 HydrophobicContact CG2-CE2 3.52Å; V179-F206 HydrophobicContact CG2-CZ 4.25Å; V179-N207 PolarHBondContact N-O 3.05Å; V179-V208 HydrophobicContact CB-CG2 4.5Å; V179-V208 WeakPolarHBondContact O-CA 3.01Å; V179-I209 WeakPolarHBondContact O-CG1 3.13Å; V179-I209 PolarHBondContact O-N 3.01Å
180K98.8Very high98.2Very high10 Ų104.8 Ų4.84%0.0433%0.026CC..EExtended strand (participates in β ladder)trans-101.8101.9162.6-168.4-141.7110.565.40109M152 I153 T154 I209 S211 I219 F223M152-K180 PolarHBondContact O-N 3.41Å; I153-K180 WeakPolarHBondContact CA-O 3.39Å; I153-K180 HydrophobicContact CG1-CB 4.35Å; T154-K180 PolarHBondContact N-O 2.82Å; K180-I209 HydrophobicContact CB-CG1 4.37Å; K180-S211 WeakPolarHBondContact CD-OG 3.48Å; K180-S211 WeakPolarHBondContact CG-OG 3.42Å; K180-S211 PolarHBondContact NZ-O 3.05Å; K180-S211 VanDerWaalsContact NZ-O 3.09Å; K180-S211 PolarHBondContact NZ-OG 3.15Å; K180-I219 HydrophobicContact CB-CG2 4.25Å; K180-I219 HydrophobicContact CD-CG2 4.02Å; K180-I219 HydrophobicContact CG-CG2 4.11Å; K180-F223 HydrophobicContact CB-CE2 3.99Å; K180-F223 HydrophobicContact CB-CZ 4.36Å
181P98.7Very high98.2Very high2 Ų25 Ų51%0.0133%0.027CC..  trans-69.9164.5174.631.6-35.5000111.5V179 P186 A189 V208 P210V179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-P186 HydrophobicContact CG-CB 4.16Å; P181-A189 HydrophobicContact CB-CB 3.65Å; P181-A189 HydrophobicContact CG-CB 3.81Å; P181-V208 HydrophobicContact CG-CG1 4.16Å; P181-P210 HydrophobicContact CG-CB 4.37Å; P181-P210 HydrophobicContact CG-CG 4.44Å
182A98.2Very high98.2Very high9 Ų95.1 Ų5.17%0.0743%0.028CC..  trans-62.2147.4168.400000111T154 W156 D184 T185T154-A182 PolarHBondContact O-N 3.26Å; T154-A182 VanDerWaalsContact O-N 3.14Å; W156-A182 HydrophobicContact CB-CB 3.71Å; A182-D184 VanDerWaalsContact C-N 3.31Å; A182-D184 PolarHBondContact O-N 3.33Å; A182-T185 PolarHBondContact O-N 2.93Å
183E98Very high98.3Very high38 Ų385.1 Ų5.118%0.1783%0.028CC..THydrogen-bonded Turntrans-68.9-27.4-176.467.3-89.5-149.300113.6F23 T185 P186 R213F23-E183 HydrophobicContact CE2-CB 4.31Å; F23-E183 WeakPolarHBondContact CE2-O 3.47Å; E183-T185 VanDerWaalsContact C-N 3.33Å; E183-P186 WeakPolarHBondContact O-CD 3.35Å; E183-R213 IonicContact OE1-CZ 2.81Å; E183-R213 IonicContact OE1-NE 3.09Å; E183-R213 PolarHBondContact OE1-NE 2.74Å; E183-R213 IonicContact OE1-NH2 2.74Å; E183-R213 PolarHBondContact OE1-NH2 2.89Å
184D98.4Very high98.5Very high37 Ų375.2 Ų5.220%0.1983%0.029CC..THydrogen-bonded Turntrans-74.6-25.9-179.5-59.4-83.7000111.9W156 A182 I336 N337W156-D184 HydrophobicContact CB-CB 4.12Å; A182-D184 VanDerWaalsContact C-N 3.31Å; A182-D184 PolarHBondContact O-N 3.33Å; D184-I336 HydrophobicContact CB-CD1 3.9Å; D184-I336 HydrophobicContact CB-CG1 3.75Å; D184-N337 PolarHBondContact OD1-ND2 3.44Å
185T98.7Very high98.6Very high1 Ų15.2 Ų5.21%0.0063%0.029CC..  trans-138.956.5-173.161.40000113.8E97 Q98 W156 P159 A182 E183 I336E97-T185 HydrophobicContact CB-CG2 4.32Å; E97-T185 HydrophobicContact CG-CG2 3.96Å; E97-T185 WeakPolarHBondContact OE2-CA 3.34Å; Q98-T185 HydrophobicContact CB-CG2 3.69Å; Q98-T185 HydrophobicContact CG-CG2 3.88Å; W156-T185 WeakPolarHBondContact CA-OG1 3.29Å; W156-T185 HydrophobicContact CB-CG2 3.94Å; W156-T185 WeakPolarHBondContact O-CG2 3.44Å; P159-T185 HydrophobicContact CB-CG2 4.49Å; P159-T185 VanDerWaalsContact CB-OG1 3.27Å; P159-T185 WeakPolarHBondContact CB-OG1 3.33Å; P159-T185 HydrophobicContact CG-CG2 4.38Å; A182-T185 PolarHBondContact O-N 2.93Å; E183-T185 VanDerWaalsContact C-N 3.33Å; T185-I336 HydrophobicContact CG2-CD1 4.05Å
186P98.7Very high98.6Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-78.3-20.6-17732.4-35.4000113.1F23 V25 V37 P181 E183 A189 L190 P210F23-P186 HydrophobicContact CE2-CG 4.1Å; F23-P186 HydrophobicContact CZ-CB 4.41Å; F23-P186 HydrophobicContact CZ-CG 4.13Å; V25-P186 HydrophobicContact CG2-CG 3.47Å; V25-P186 VanDerWaalsContact CG2-CG 3.47Å; V37-P186 HydrophobicContact CG1-CG 4.23Å; V37-P186 HydrophobicContact CG2-CB 4.19Å; V37-P186 HydrophobicContact CG2-CG 3.68Å; P181-P186 HydrophobicContact CG-CB 4.16Å; E183-P186 WeakPolarHBondContact O-CD 3.35Å; P186-A189 WeakPolarHBondContact O-CB 3.42Å; P186-A189 PolarHBondContact O-N 3.31Å; P186-L190 WeakPolarHBondContact O-CG 3.44Å; P186-L190 PolarHBondContact O-N 2.99Å; P186-P210 HydrophobicContact CB-CB 3.89Å; P186-P210 HydrophobicContact CB-CG 4.36Å
187L98.8Very high98.6Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-72.9-32.9-171-58.6166.9000111.7K5 V25 F34 A35 V37 L93 E97 A189 L190 A191K5-L187 WeakPolarHBondContact O-CD2 3.32Å; V25-L187 HydrophobicContact CB-CD1 4.21Å; V25-L187 HydrophobicContact CG1-CD1 3.91Å; V25-L187 HydrophobicContact CG1-CG 4.37Å; V25-L187 HydrophobicContact CG2-CD1 4.35Å; V25-L187 HydrophobicContact CG2-CG 4.24Å; F34-L187 HydrophobicContact CD2-CD1 4.46Å; F34-L187 HydrophobicContact CE2-CD1 3.38Å; F34-L187 HydrophobicContact CZ-CD1 3.51Å; A35-L187 HydrophobicContact CB-CD1 3.88Å; A35-L187 HydrophobicContact CB-CD2 4.2Å; V37-L187 HydrophobicContact CG1-CD2 3.45Å; V37-L187 VanDerWaalsContact CG1-CD2 3.45Å; V37-L187 HydrophobicContact CG1-CG 4.36Å; L93-L187 HydrophobicContact CD1-CB 4.09Å; L93-L187 HydrophobicContact CD1-CD1 4Å; L93-L187 HydrophobicContact CD2-CB 4.19Å; L93-L187 HydrophobicContact CG-CB 4.24Å; E97-L187 WeakPolarHBondContact OE2-CA 3.34Å; E97-L187 WeakPolarHBondContact OE2-CB 3.3Å; E97-L187 PolarHBondContact OE2-N 2.69Å; L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-L190 PolarHBondContact O-N 3.11Å; L187-A191 WeakPolarHBondContact O-CB 3.3Å; L187-A191 PolarHBondContact O-N 3.01Å
188S98.8Very high98.6Very high2 Ų212.4 Ų12.41%0.0147%0.07CC..Hα-helixtrans-58.1-41.8170.9-78.70000112E97 S160 A191 L192E97-S188 WeakPolarHBondContact OE1-CA 3.24Å; E97-S188 WeakPolarHBondContact OE1-CB 3.07Å; E97-S188 PolarHBondContact OE1-N 2.91Å; E97-S188 PolarHBondContact OE1-OG 2.92Å; E97-S188 PolarHBondContact OE2-N 3.46Å; S160-S188 WeakPolarHBondContact OG-CB 3.47Å; S160-S188 PolarHBondContact OG-OG 2.88Å; S188-A191 PolarHBondContact O-N 2.66Å; S188-L192 WeakPolarHBondContact O-CG 3.44Å; S188-L192 PolarHBondContact O-N 3.49Å
189A98.9Very high98.5Very high0 Ų012.5 Ų12.50%07%0.071CC..Hα-helixtrans-65.2-41.3178.100000111.9I163 P181 P186 L187 L192 A193 V208I163-A189 HydrophobicContact CD1-CB 3.27Å; P181-A189 HydrophobicContact CB-CB 3.65Å; P181-A189 HydrophobicContact CG-CB 3.81Å; P186-A189 WeakPolarHBondContact O-CB 3.42Å; P186-A189 PolarHBondContact O-N 3.31Å; L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; A189-L192 WeakPolarHBondContact O-CB 3.44Å; A189-L192 PolarHBondContact O-N 3.36Å; A189-A193 PolarHBondContact O-N 2.96Å; A189-V208 HydrophobicContact CB-CG1 3.73Å
190L98.9Very high98.5Very high0 Ų014.4 Ų14.40%09%0.09CC..Hα-helixtrans-69.5-36175.7-61.3175000111.5K5 K7 W14 V37 P186 L187 L192 A193 A194 V208 P210K5-L190 HydrophobicContact CB-CB 4.05Å; K5-L190 WeakPolarHBondContact O-CD1 3.32Å; K7-L190 WeakPolarHBondContact O-CD1 3.16Å; K7-L190 VanDerWaalsContact O-CD2 3.27Å; K7-L190 WeakPolarHBondContact O-CD2 3.41Å; W14-L190 WeakPolarHBondContact CH2-O 3.26Å; W14-L190 HydrophobicContact CZ3-CB 4.29Å; W14-L190 HydrophobicContact CZ3-CD2 4.22Å; V37-L190 HydrophobicContact CG1-CD1 4.04Å; P186-L190 WeakPolarHBondContact O-CG 3.44Å; P186-L190 PolarHBondContact O-N 2.99Å; L187-L190 PolarHBondContact O-N 3.11Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.5Å; L190-A193 WeakPolarHBondContact O-CA 3.24Å; L190-A193 WeakPolarHBondContact O-CB 3.35Å; L190-A193 PolarHBondContact O-N 3.01Å; L190-A193 VanDerWaalsContact O-N 3.09Å; L190-A194 PolarHBondContact O-N 3.39Å; L190-V208 HydrophobicContact CD2-CB 4.05Å; L190-V208 HydrophobicContact CD2-CG1 3.71Å; L190-V208 HydrophobicContact CG-CG1 4.42Å; L190-P210 HydrophobicContact CD1-CG 3.98Å; L190-P210 HydrophobicContact CD2-CG 3.83Å; L190-P210 HydrophobicContact CG-CG 4.09Å
191A98.8Very high98.4Very high3 Ų315 Ų153%0.0259%0.094CC..Hα-helixtrans-62.2-41.8172.500000111.2F3 L90 L93 L187 S188 A193 A194 I195F3-A191 HydrophobicContact CB-CB 4.02Å; L90-A191 HydrophobicContact CD2-CB 3.77Å; L93-A191 HydrophobicContact CD2-CB 3.9Å; L187-A191 WeakPolarHBondContact O-CB 3.3Å; L187-A191 PolarHBondContact O-N 3.01Å; S188-A191 PolarHBondContact O-N 2.66Å; A191-A193 VanDerWaalsContact C-N 3.29Å; A191-A193 PolarHBondContact O-N 2.79Å; A191-A194 PolarHBondContact O-N 3.08Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 2.84Å
192L98.8Very high98.3Very high3 Ų317.3 Ų17.32%0.01611%0.109CC..Hα-helixtrans-58.9-39.5171.1-71.7179.4000111.8W79 L83 F116 I163 S188 A189 L190 I195 A196W79-L192 HydrophobicContact CZ2-CB 4.23Å; W79-L192 WeakPolarHBondContact CZ2-O 3.37Å; L83-L192 HydrophobicContact CD1-CD2 4.2Å; L83-L192 HydrophobicContact CD2-CD2 3.63Å; F116-L192 HydrophobicContact CE2-CD2 4.48Å; I163-L192 HydrophobicContact CB-CD1 3.65Å; I163-L192 HydrophobicContact CD1-CD1 4.3Å; I163-L192 HydrophobicContact CG2-CD1 3.55Å; S188-L192 WeakPolarHBondContact O-CG 3.44Å; S188-L192 PolarHBondContact O-N 3.49Å; A189-L192 WeakPolarHBondContact O-CB 3.44Å; A189-L192 PolarHBondContact O-N 3.36Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.5Å; L192-I195 PolarHBondContact O-N 3.1Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.41Å
193A98.8Very high98.2Very high0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-64.3-39.9175.200000113F9 W14 A189 L190 A191 I195 A196 E197 F206 V208F9-A193 HydrophobicContact CB-CB 3.78Å; F9-A193 HydrophobicContact CD1-CB 3.77Å; F9-A193 HydrophobicContact CD2-CB 4.28Å; F9-A193 HydrophobicContact CE1-CB 4.37Å; F9-A193 HydrophobicContact CG-CB 3.69Å; W14-A193 HydrophobicContact CH2-CB 4.04Å; A189-A193 PolarHBondContact O-N 2.96Å; L190-A193 WeakPolarHBondContact O-CA 3.24Å; L190-A193 WeakPolarHBondContact O-CB 3.35Å; L190-A193 PolarHBondContact O-N 3.01Å; L190-A193 VanDerWaalsContact O-N 3.09Å; A191-A193 VanDerWaalsContact C-N 3.29Å; A191-A193 PolarHBondContact O-N 2.79Å; A193-I195 VanDerWaalsContact C-N 3.31Å; A193-I195 PolarHBondContact O-N 3.37Å; A193-A196 WeakPolarHBondContact O-CB 3.22Å; A193-A196 PolarHBondContact O-N 2.8Å; A193-E197 WeakPolarHBondContact O-CB 3.23Å; A193-E197 PolarHBondContact O-N 3.14Å; A193-F206 HydrophobicContact CB-CD1 4.22Å; A193-F206 HydrophobicContact CB-CE1 3.83Å; A193-V208 HydrophobicContact CB-CG2 4.01Å
194A98.5Very high98.2Very high4 Ų420.8 Ų20.83%0.03312%0.124CC..Hα-helixtrans-63.4-37.1173.700000112.5F3 K5 W14 L190 A191 S198F3-A194 HydrophobicContact CD1-CB 4.21Å; K5-A194 HydrophobicContact CG-CB 4.47Å; W14-A194 HydrophobicContact CH2-CB 4.16Å; W14-A194 HydrophobicContact CZ2-CB 3.83Å; L190-A194 PolarHBondContact O-N 3.39Å; A191-A194 PolarHBondContact O-N 3.08Å; A194-S198 WeakPolarHBondContact O-CB 3.12Å; A194-S198 PolarHBondContact O-N 3.06Å; A194-S198 PolarHBondContact O-OG 2.82Å
195I98.6Very high98.2Very high1 Ų119.1 Ų19.11%0.00512%0.115CC..Hα-helixtrans-69-39.5173.2-59.5-72000110.8F3 W79 L82 L83 L90 A191 L192 A193 E197 S198 A199F3-I195 HydrophobicContact CD1-CD1 4.15Å; F3-I195 HydrophobicContact CD1-CG1 4.5Å; F3-I195 HydrophobicContact CE1-CD1 3.37Å; F3-I195 HydrophobicContact CE1-CG1 4.15Å; F3-I195 HydrophobicContact CZ-CD1 3.69Å; W79-I195 HydrophobicContact CG-CG2 4.13Å; L82-I195 HydrophobicContact CB-CD1 4.42Å; L82-I195 HydrophobicContact CB-CG2 3.6Å; L82-I195 HydrophobicContact CD1-CG2 4.31Å; L83-I195 HydrophobicContact CD2-CB 4.35Å; L83-I195 HydrophobicContact CD2-CG1 3.99Å; L83-I195 HydrophobicContact CD2-CG2 4.18Å; L83-I195 HydrophobicContact CG-CG2 4.26Å; L90-I195 HydrophobicContact CD1-CD1 4.35Å; L90-I195 HydrophobicContact CD1-CG1 4.45Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 2.84Å; L192-I195 PolarHBondContact O-N 3.1Å; A193-I195 VanDerWaalsContact C-N 3.31Å; A193-I195 PolarHBondContact O-N 3.37Å; I195-E197 PolarHBondContact O-N 2.96Å; I195-S198 CarbonylContact O-C 3.57Å; I195-S198 PolarHBondContact O-N 3.33Å; I195-A199 WeakPolarHBondContact O-CB 3.49Å; I195-A199 PolarHBondContact O-N 3.5Å
196A98.5Very high98.2Very high1 Ų119.1 Ų19.11%0.00812%0.115CC..Hα-helixtrans-59.4-45.7175.400000112.2W79 L192 A193 A199 G200 L201 F206W79-A196 HydrophobicContact CD2-CB 4.07Å; W79-A196 HydrophobicContact CE3-CB 3.91Å; W79-A196 HydrophobicContact CH2-CB 3.3Å; W79-A196 HydrophobicContact CZ2-CB 3.44Å; W79-A196 VanDerWaalsContact CZ2-CB 3.44Å; W79-A196 HydrophobicContact CZ3-CB 3.55Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.41Å; A193-A196 WeakPolarHBondContact O-CB 3.22Å; A193-A196 PolarHBondContact O-N 2.8Å; A196-A199 WeakPolarHBondContact O-CB 3.3Å; A196-A199 PolarHBondContact O-N 3.49Å; A196-G200 PolarHBondContact O-N 2.93Å; A196-L201 HydrophobicContact CB-CB 4.41Å; A196-L201 HydrophobicContact CB-CD2 4.29Å; A196-L201 WeakPolarHBondContact O-CB 3.43Å; A196-L201 PolarHBondContact O-N 2.85Å; A196-L201 VanDerWaalsContact O-N 3.09Å; A196-F206 HydrophobicContact CB-CD1 3.95Å
197E98.1Very high98.2Very high83 Ų8319.1 Ų19.139%0.38812%0.115SC..Hα-helixtrans-57.5-48.3173.9178.3177.7-124.200110.5F9 W14 A193 I195 A199 G200F9-E197 HydrophobicContact CE2-CB 4.33Å; F9-E197 HydrophobicContact CZ-CB 4.17Å; W14-E197 PolarHBondContact NE1-OE1 2.88Å; W14-E197 PolarHBondContact NE1-OE2 2.83Å; A193-E197 WeakPolarHBondContact O-CB 3.23Å; A193-E197 PolarHBondContact O-N 3.14Å; I195-E197 PolarHBondContact O-N 2.96Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 2.95Å; E197-G200 WeakPolarHBondContact O-CA 3.31Å; E197-G200 PolarHBondContact O-N 2.87Å
198S97.9Very high98.2Very high67 Ų6719.1 Ų19.147%0.46912%0.115SC..Hα-helixtrans-65.2-31.3177.1-56.10000113.2K78 A194 I195 G200K78-S198 PolarHBondContact NZ-O 3.07Å; A194-S198 WeakPolarHBondContact O-CB 3.12Å; A194-S198 PolarHBondContact O-N 3.06Å; A194-S198 PolarHBondContact O-OG 2.82Å; I195-S198 CarbonylContact O-C 3.57Å; I195-S198 PolarHBondContact O-N 3.33Å; S198-G200 PolarHBondContact O-N 3.41Å
199A97.8Very high98.2Very high2 Ų219 Ų192%0.01711%0.114CC..Hα-helixtrans-68-18.5172.600000111.8K78 W79 L82 I195 A196 E197K78-A199 WeakPolarHBondContact CD-O 3.5Å; K78-A199 HydrophobicContact CG-CB 4.34Å; K78-A199 PolarHBondContact NZ-O 3.15Å; W79-A199 HydrophobicContact CB-CB 4.12Å; L82-A199 HydrophobicContact CD1-CB 4.1Å; I195-A199 WeakPolarHBondContact O-CB 3.49Å; I195-A199 PolarHBondContact O-N 3.5Å; A196-A199 WeakPolarHBondContact O-CB 3.3Å; A196-A199 PolarHBondContact O-N 3.49Å; E197-A199 VanDerWaalsContact C-N 3.3Å; E197-A199 PolarHBondContact O-N 2.95Å
200G97.1Very high98.2Very high40 Ų4019 Ų1941%0.41211%0.114SC..THydrogen-bonded Turntrans85.625.6-17900000112.7F75 A196 E197 S198F75-G200 WeakPolarHBondContact CE1-O 3.46Å; A196-G200 PolarHBondContact O-N 2.93Å; E197-G200 WeakPolarHBondContact O-CA 3.31Å; E197-G200 PolarHBondContact O-N 2.87Å; S198-G200 PolarHBondContact O-N 3.41Å
201L96.7Very high98.2Very high23 Ų2319 Ų1912%0.1211%0.114CC..PPolyproline II helixtrans-61134.3179.4-15976.9000110.1W59 F75 W79 L171 A196 V205 F206W59-L201 HydrophobicContact CH2-CD1 4.05Å; F75-L201 HydrophobicContact CB-CD1 4.03Å; F75-L201 HydrophobicContact CG-CD1 4.31Å; W79-L201 HydrophobicContact CE3-CD2 4.46Å; W79-L201 HydrophobicContact CH2-CD2 4.47Å; W79-L201 HydrophobicContact CZ3-CD2 3.72Å; L171-L201 HydrophobicContact CD1-CD1 4.37Å; L171-L201 HydrophobicContact CD1-CD2 4.07Å; A196-L201 HydrophobicContact CB-CB 4.41Å; A196-L201 HydrophobicContact CB-CD2 4.29Å; A196-L201 WeakPolarHBondContact O-CB 3.43Å; A196-L201 PolarHBondContact O-N 2.85Å; A196-L201 VanDerWaalsContact O-N 3.09Å; L201-V205 HydrophobicContact CD1-CG1 4.3Å; L201-V205 HydrophobicContact CD2-CB 4.08Å; L201-V205 HydrophobicContact CD2-CG1 3.86Å; L201-V205 HydrophobicContact CG-CB 4.16Å; L201-V205 HydrophobicContact CG-CG1 4.02Å; L201-F206 HydrophobicContact CD2-CB 3.47Å; L201-F206 VanDerWaalsContact CD2-CB 3.47Å
202P96.6Very high98.1Very high49 Ų4920.9 Ų20.932%0.31812%0.124SC..PPolyproline II helixtrans-60.6149.4-178.6-24.333.4000113.5W59 G204 V205W59-P202 HydrophobicContact CE3-CG 4.32Å; W59-P202 HydrophobicContact CZ3-CG 4.29Å; P202-G204 PolarHBondContact O-N 3.48Å; P202-V205 HydrophobicContact CB-CG2 3.88Å; P202-V205 HydrophobicContact CG-CG2 4.34Å; P202-V205 WeakPolarHBondContact O-CB 3.2Å; P202-V205 WeakPolarHBondContact O-CG2 3.42Å; P202-V205 PolarHBondContact O-N 2.9Å
203E97.5Very high98Very high119 Ų11927.7 Ų27.756%0.55615%0.149SC*.THydrogen-bonded Turntrans-53133.6179-62.9-177.5-16900112.2N11 A55 V205N11-E203 PolarHBondContact ND2-OE2 3.45Å; A55-E203 WeakPolarHBondContact CB-O 3.42Å; E203-V205 PolarHBondContact O-N 3.1Å
204G98Very high97.9Very high1 Ų131.6 Ų31.61%0.0118%0.176CC..THydrogen-bonded Turntrans79.7-8.4175.300000114.8A52 A55 P202 F206 N207A52-G204 VanDerWaalsContact CA-O 3.31Å; A52-G204 WeakPolarHBondContact CA-O 3.19Å; A55-G204 VanDerWaalsContact CB-C 3.49Å; P202-G204 PolarHBondContact O-N 3.48Å; G204-F206 VanDerWaalsContact C-N 3.32Å; G204-N207 PolarHBondContact O-ND2 2.84Å
205V97.9Very high97.8Very high2 Ų233.8 Ų33.81%0.01219%0.186CC..SBendtrans-67.3-35.5176173.80000111.6A55 W59 L171 T176 C177 L201 P202 E203A55-V205 HydrophobicContact CB-CG2 4.16Å; W59-V205 HydrophobicContact CB-CG2 4.06Å; W59-V205 HydrophobicContact CD2-CG1 3.83Å; W59-V205 HydrophobicContact CD2-CG2 3.98Å; W59-V205 HydrophobicContact CE3-CG1 4.27Å; W59-V205 HydrophobicContact CE3-CG2 4.04Å; W59-V205 HydrophobicContact CG-CG1 4.13Å; W59-V205 HydrophobicContact CG-CG2 4Å; W59-V205 HydrophobicContact CZ2-CG1 4.12Å; L171-V205 HydrophobicContact CD1-CG1 4.42Å; L171-V205 HydrophobicContact CD2-CG1 3.42Å; L171-V205 VanDerWaalsContact CD2-CG1 3.42Å; T176-V205 WeakPolarHBondContact CA-O 3.28Å; T176-V205 HydrophobicContact CG2-CB 4.44Å; T176-V205 HydrophobicContact CG2-CG1 4.45Å; T176-V205 HydrophobicContact CG2-CG2 4.32Å; C177-V205 PolarHBondContact N-O 2.83Å; L201-V205 HydrophobicContact CD1-CG1 4.3Å; L201-V205 HydrophobicContact CD2-CB 4.08Å; L201-V205 HydrophobicContact CD2-CG1 3.86Å; L201-V205 HydrophobicContact CG-CB 4.16Å; L201-V205 HydrophobicContact CG-CG1 4.02Å; P202-V205 HydrophobicContact CB-CG2 3.88Å; P202-V205 HydrophobicContact CG-CG2 4.34Å; P202-V205 WeakPolarHBondContact O-CB 3.2Å; P202-V205 WeakPolarHBondContact O-CG2 3.42Å; P202-V205 PolarHBondContact O-N 2.9Å; E203-V205 PolarHBondContact O-N 3.1Å
206F98.8Very high97.7Very high1 Ų135.2 Ų35.20%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-130.5128.1175.5-178.2-118.9000109.9F9 W79 I163 V167 C177 V179 A193 A196 L201 G204 V208F9-F206 WeakPolarHBondContact CD1-O 3.36Å; F9-F206 WeakPolarHBondContact CE1-O 3.39Å; W79-F206 HydrophobicContact CH2-CB 4.39Å; W79-F206 AromaticContact CH2-CD1 3.59Å; W79-F206 HydrophobicContact CH2-CD1 3.59Å; W79-F206 HydrophobicContact CH2-CD2 4.19Å; W79-F206 AromaticContact CH2-CE1 3.79Å; W79-F206 HydrophobicContact CH2-CE1 3.79Å; W79-F206 HydrophobicContact CH2-CE2 4.38Å; W79-F206 AromaticContact CH2-CG 3.81Å; W79-F206 HydrophobicContact CH2-CG 3.81Å; W79-F206 HydrophobicContact CH2-CZ 4.2Å; W79-F206 HydrophobicContact CZ2-CD1 4.22Å; W79-F206 HydrophobicContact CZ2-CE1 4.02Å; W79-F206 HydrophobicContact CZ2-CZ 4.45Å; I163-F206 HydrophobicContact CG2-CE2 4.34Å; I163-F206 HydrophobicContact CG2-CZ 4.17Å; V167-F206 HydrophobicContact CB-CE2 4.41Å; V167-F206 HydrophobicContact CG1-CD2 3.85Å; V167-F206 HydrophobicContact CG1-CE2 3.92Å; V167-F206 HydrophobicContact CG2-CD2 4.17Å; V167-F206 HydrophobicContact CG2-CE2 3.59Å; C177-F206 HydrophobicContact CB-CD2 4.09Å; V179-F206 HydrophobicContact CB-CE2 4.49Å; V179-F206 HydrophobicContact CG2-CD2 4.34Å; V179-F206 HydrophobicContact CG2-CE2 3.52Å; V179-F206 HydrophobicContact CG2-CZ 4.25Å; A193-F206 HydrophobicContact CB-CD1 4.22Å; A193-F206 HydrophobicContact CB-CE1 3.83Å; A196-F206 HydrophobicContact CB-CD1 3.95Å; L201-F206 HydrophobicContact CD2-CB 3.47Å; L201-F206 VanDerWaalsContact CD2-CB 3.47Å; G204-F206 VanDerWaalsContact C-N 3.32Å; F206-V208 HydrophobicContact CD1-CG2 4.29Å; F206-V208 HydrophobicContact CE1-CG2 3.5Å; F206-V208 HydrophobicContact CE2-CG2 4.23Å; F206-V208 HydrophobicContact CZ-CG2 3.46Å; F206-V208 VanDerWaalsContact CZ-CG2 3.46Å
207N98.9Very high97.7Very high0 Ų038.8 Ų38.80%022%0.217CC..EExtended strand (participates in β ladder)trans-134.5142.7-179.5-48.6-93.7000109.2F9 N11 A48 C177 V179 G204F9-N207 CarbonylContact O-C 3.48Å; F9-N207 WeakPolarHBondContact O-CA 3.5Å; N11-N207 PolarHBondContact N-OD1 3.41Å; A48-N207 HydrophobicContact CB-CB 4.18Å; C177-N207 PolarHBondContact O-N 2.77Å; C177-N207 PolarHBondContact O-ND2 3.35Å; V179-N207 PolarHBondContact N-O 3.05Å; G204-N207 PolarHBondContact O-ND2 2.84Å
208V98.9Very high97.7Very high0 Ų036.5 Ų36.50%021%0.212CC..EExtended strand (participates in β ladder)trans-129.4122.1-180-175.40000109.1F9 V179 P181 A189 L190 A193 F206 P210F9-V208 HydrophobicContact CB-CB 4.4Å; F9-V208 PolarHBondContact N-O 2.87Å; F9-V208 PolarHBondContact O-N 2.85Å; V179-V208 HydrophobicContact CB-CG2 4.5Å; V179-V208 WeakPolarHBondContact O-CA 3.01Å; P181-V208 HydrophobicContact CG-CG1 4.16Å; A189-V208 HydrophobicContact CB-CG1 3.73Å; L190-V208 HydrophobicContact CD2-CB 4.05Å; L190-V208 HydrophobicContact CD2-CG1 3.71Å; L190-V208 HydrophobicContact CG-CG1 4.42Å; A193-V208 HydrophobicContact CB-CG2 4.01Å; F206-V208 HydrophobicContact CD1-CG2 4.29Å; F206-V208 HydrophobicContact CE1-CG2 3.5Å; F206-V208 HydrophobicContact CE2-CG2 4.23Å; F206-V208 HydrophobicContact CZ-CG2 3.46Å; F206-V208 VanDerWaalsContact CZ-CG2 3.46Å; V208-P210 HydrophobicContact CG1-CG 4.42Å; V208-P210 WeakPolarHBondContact O-CD 3.48Å
209I98.8Very high97.7Very high0 Ų033.3 Ų33.30%019%0.19CC..  trans-122.681.2-176.851.7165.5000111I10 C40 C45 A48 V178 V179 K180 I219 F223I10-I209 HydrophobicContact CD1-CG2 3.9Å; I10-I209 HydrophobicContact CG1-CG2 4.1Å; C40-I209 HydrophobicContact CB-CB 4.05Å; C45-I209 HydrophobicContact CB-CD1 3.79Å; A48-I209 HydrophobicContact CB-CG2 3.94Å; V178-I209 HydrophobicContact CG1-CD1 3.83Å; V178-I209 HydrophobicContact CG1-CG1 4.04Å; V179-I209 WeakPolarHBondContact O-CG1 3.13Å; V179-I209 PolarHBondContact O-N 3.01Å; K180-I209 HydrophobicContact CB-CG1 4.37Å; I209-I219 HydrophobicContact CD1-CG2 4.16Å; I209-F223 HydrophobicContact CD1-CE1 4.1Å; I209-F223 HydrophobicContact CD1-CZ 3.79Å
210P98.8Very high97.7Very high0 Ų033.4 Ų33.40%019%0.191CC..  trans-59.3141.9175.1-18.131.1000111.3F23 V37 C40 P181 P186 L190 V208F23-P210 HydrophobicContact CE1-CB 4.24Å; F23-P210 HydrophobicContact CZ-CB 4.2Å; V37-P210 HydrophobicContact CG2-CB 4.16Å; C40-P210 WeakPolarHBondContact CB-O 3.27Å; C40-P210 PolarHBondContact N-O 3.33Å; C40-P210 PolarHBondContact SG-O 2.78Å; P181-P210 HydrophobicContact CG-CB 4.37Å; P181-P210 HydrophobicContact CG-CG 4.44Å; P186-P210 HydrophobicContact CB-CB 3.89Å; P186-P210 HydrophobicContact CB-CG 4.36Å; L190-P210 HydrophobicContact CD1-CG 3.98Å; L190-P210 HydrophobicContact CD2-CG 3.83Å; L190-P210 HydrophobicContact CG-CG 4.09Å; V208-P210 HydrophobicContact CG1-CG 4.42Å; V208-P210 WeakPolarHBondContact O-CD 3.48Å
211S98.5Very high97.8Very high1 Ų137.1 Ų37.11%0.00719%0.193CC..  trans-155.5145.4176.845.60000109.1N39 C40 K180 I219N39-S211 WeakPolarHBondContact OD1-CA 3.21Å; C40-S211 WeakPolarHBondContact O-CB 3.29Å; K180-S211 WeakPolarHBondContact CD-OG 3.48Å; K180-S211 WeakPolarHBondContact CG-OG 3.42Å; K180-S211 PolarHBondContact NZ-O 3.05Å; K180-S211 VanDerWaalsContact NZ-O 3.09Å; K180-S211 PolarHBondContact NZ-OG 3.15Å; S211-I219 VanDerWaalsContact CB-CD1 3.47Å; S211-I219 VanDerWaalsContact OG-CD1 3.24Å; S211-I219 WeakPolarHBondContact OG-CD1 3.46Å
212D97.7Very high97.9Very high42 Ų4236.6 Ų36.623%0.22519%0.19CC..  trans-77.2-175.5171.179.13.2000111.5F23 N39 S214 H215 A216F23-D212 HydrophobicContact CB-CB 4.17Å; F23-D212 HydrophobicContact CD1-CB 4.02Å; F23-D212 HydrophobicContact CD2-CB 4.27Å; F23-D212 HydrophobicContact CE1-CB 4.45Å; F23-D212 HydrophobicContact CG-CB 3.9Å; N39-D212 PolarHBondContact ND2-OD1 3.33Å; N39-D212 VanDerWaalsContact ND2-OD1 3.16Å; N39-D212 PolarHBondContact ND2-OD2 2.95Å; N39-D212 VanDerWaalsContact ND2-OD2 3.17Å; N39-D212 PolarHBondContact OD1-N 3.26Å; N39-D212 PolarHBondContact OD1-OD1 3.09Å; D212-S214 PolarHBondContact O-N 3.43Å; D212-S214 WeakPolarHBondContact OD1-CA 3.37Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.39Å; D212-S214 PolarHBondContact OD1-N 3.16Å; D212-S214 PolarHBondContact OD1-OG 2.84Å; D212-H215 PolarHBondContact O-N 2.7Å; D212-A216 PolarHBondContact O-N 2.65Å
213R95.6Very high98Very high145 Ų14534.2 Ų34.255%0.54718%0.175SC..Hα-helixtrans-63.5-27.3-179.3-168.6173-62.8-90-8.8113.7E183 H215 A216E183-R213 IonicContact OE1-CZ 2.81Å; E183-R213 IonicContact OE1-NE 3.09Å; E183-R213 PolarHBondContact OE1-NE 2.74Å; E183-R213 IonicContact OE1-NH2 2.74Å; E183-R213 PolarHBondContact OE1-NH2 2.89Å; R213-H215 VanDerWaalsContact C-N 3.29Å; R213-H215 PolarHBondContact O-N 3.36Å; R213-A216 PolarHBondContact O-N 3.4Å
214S96.9Very high98Very high82 Ų8228.6 Ų28.657%0.57315%0.149SC*.Hα-helixtrans-70-26.6-177.274.50000112.7D212D212-S214 PolarHBondContact O-N 3.43Å; D212-S214 WeakPolarHBondContact OD1-CA 3.37Å; D212-S214 VanDerWaalsContact OD1-CB 3.29Å; D212-S214 WeakPolarHBondContact OD1-CB 3.39Å; D212-S214 PolarHBondContact OD1-N 3.16Å; D212-S214 PolarHBondContact OD1-OG 2.84Å
215H97Very high98Very high50 Ų5033.6 Ų33.623%0.23117%0.172CC..Hα-helixtrans-105.2-7.8176.1-71.5-35.9000114.3N39 C40 D212 R213 D217 A218 I219N39-H215 PolarHBondContact OD1-CD2 2.98Å; C40-H215 WeakPolarHBondContact O-CB 3.5Å; C40-H215 PolarHBondContact O-CD2 3.27Å; D212-H215 PolarHBondContact O-N 2.7Å; R213-H215 VanDerWaalsContact C-N 3.29Å; R213-H215 PolarHBondContact O-N 3.36Å; H215-D217 PolarHBondContact O-N 3.14Å; H215-A218 PolarHBondContact O-N 2.96Å; H215-I219 HydrophobicContact CB-CD1 4.28Å; H215-I219 WeakPolarHBondContact O-CG1 3.19Å; H215-I219 PolarHBondContact O-N 3.09Å
216A96.2Very high98Very high31 Ų3134.5 Ų34.526%0.25618%0.178SC..Hα-helixtrans-57.4-44.8-177.800000113.6D212 R213 G220D212-A216 PolarHBondContact O-N 2.65Å; R213-A216 PolarHBondContact O-N 3.4Å; A216-G220 PolarHBondContact O-N 3.42Å
217D97.3Very high98Very high77 Ų7743.5 Ų43.541%0.41222%0.217SC..Hα-helixtrans-65.1-46.6177.7176.167.8000111.5H215 I219 G220 R221H215-D217 PolarHBondContact O-N 3.14Å; D217-I219 VanDerWaalsContact C-N 3.34Å; D217-I219 PolarHBondContact O-N 3.25Å; D217-G220 PolarHBondContact O-N 3.22Å; D217-R221 WeakPolarHBondContact O-CG 3.46Å; D217-R221 PolarHBondContact O-N 3.27Å; D217-R221 IonicContact OD1-CZ 3.85Å; D217-R221 IonicContact OD1-NE 3.75Å; D217-R221 PolarHBondContact OD1-NE 3.36Å; D217-R221 VanDerWaalsContact OD1-NE 3.09Å; D217-R221 IonicContact OD1-NH2 4Å; D217-R221 PolarHBondContact OD1-NH2 3.06Å; D217-R221 IonicContact OD2-CZ 3.14Å; D217-R221 VanDerWaalsContact OD2-CZ 3.28Å; D217-R221 IonicContact OD2-NE 3.28Å; D217-R221 PolarHBondContact OD2-NE 2.92Å; D217-R221 IonicContact OD2-NH2 2.89Å; D217-R221 PolarHBondContact OD2-NH2 3.2Å
218A97.9Very high97.9Very high34 Ų3448 Ų4828%0.28124%0.242SC..Hα-helixtrans-61.3-41.3179.500000112.3H215 T222H215-A218 PolarHBondContact O-N 2.96Å; A218-T222 WeakPolarHBondContact O-CB 3.4Å; A218-T222 PolarHBondContact O-N 3.21Å; A218-T222 PolarHBondContact O-OG1 3.45Å
219I98.6Very high97.9Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-67.6-45.6175.1-70.9168.7000110.7C40 C45 K180 I209 S211 H215 D217 R221 T222 F223C40-I219 WeakPolarHBondContact O-CD1 3.41Å; C45-I219 HydrophobicContact CB-CG1 4.16Å; C45-I219 HydrophobicContact CB-CG2 4.49Å; K180-I219 HydrophobicContact CB-CG2 4.25Å; K180-I219 HydrophobicContact CD-CG2 4.02Å; K180-I219 HydrophobicContact CG-CG2 4.11Å; I209-I219 HydrophobicContact CD1-CG2 4.16Å; S211-I219 VanDerWaalsContact CB-CD1 3.47Å; S211-I219 VanDerWaalsContact OG-CD1 3.24Å; S211-I219 WeakPolarHBondContact OG-CD1 3.46Å; H215-I219 HydrophobicContact CB-CD1 4.28Å; H215-I219 WeakPolarHBondContact O-CG1 3.19Å; H215-I219 PolarHBondContact O-N 3.09Å; D217-I219 VanDerWaalsContact C-N 3.34Å; D217-I219 PolarHBondContact O-N 3.25Å; I219-R221 PolarHBondContact O-N 2.64Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 2.86Å; I219-T222 VanDerWaalsContact O-N 3.17Å; I219-F223 HydrophobicContact CG2-CD2 4.22Å; I219-F223 HydrophobicContact CG2-CE1 4.34Å; I219-F223 HydrophobicContact CG2-CE2 3.93Å; I219-F223 HydrophobicContact CG2-CZ 4.01Å; I219-F223 PolarHBondContact O-N 3.27Å
220G98.2Very high97.9Very high5 Ų549.4 Ų49.45%0.05225%0.253CS..Hα-helixtrans-57.4-47.517800000112.3A216 D217 F223 C224A216-G220 PolarHBondContact O-N 3.42Å; D217-G220 PolarHBondContact O-N 3.22Å; G220-F223 WeakPolarHBondContact O-CB 3.49Å; G220-F223 PolarHBondContact O-N 3.02Å; G220-C224 PolarHBondContact O-N 3.4Å; G220-C224 PolarHBondContact O-SG 3.47Å
221R98.2Very high97.8Very high118 Ų11849.4 Ų49.445%0.44525%0.253SS..Hα-helixtrans-61.2-44.5174.1-69.7-178.4-166.1-1565.2112D217 I219 F223 C224 E225D217-R221 WeakPolarHBondContact O-CG 3.46Å; D217-R221 PolarHBondContact O-N 3.27Å; D217-R221 IonicContact OD1-CZ 3.85Å; D217-R221 IonicContact OD1-NE 3.75Å; D217-R221 PolarHBondContact OD1-NE 3.36Å; D217-R221 VanDerWaalsContact OD1-NE 3.09Å; D217-R221 IonicContact OD1-NH2 4Å; D217-R221 PolarHBondContact OD1-NH2 3.06Å; D217-R221 IonicContact OD2-CZ 3.14Å; D217-R221 VanDerWaalsContact OD2-CZ 3.28Å; D217-R221 IonicContact OD2-NE 3.28Å; D217-R221 PolarHBondContact OD2-NE 2.92Å; D217-R221 IonicContact OD2-NH2 2.89Å; D217-R221 PolarHBondContact OD2-NH2 3.2Å; I219-R221 PolarHBondContact O-N 2.64Å; R221-F223 VanDerWaalsContact C-N 3.27Å; R221-F223 PolarHBondContact O-N 2.9Å; R221-C224 PolarHBondContact O-N 2.79Å; R221-E225 VanDerWaalsContact O-CB 3.31Å; R221-E225 WeakPolarHBondContact O-CB 3.41Å; R221-E225 VanDerWaalsContact O-CG 3.3Å; R221-E225 WeakPolarHBondContact O-CG 3.42Å; R221-E225 PolarHBondContact O-N 3.37Å
222T98.6Very high97.9Very high11 Ų1149.4 Ų49.47%0.06725%0.253CS..Hα-helixtrans-58.8-40.5177-57.50000111.6K42 C45 V46 I49 A218 I219 S226K42-T222 HydrophobicContact CG-CG2 4.5Å; K42-T222 WeakPolarHBondContact CG-OG1 3.12Å; C45-T222 HydrophobicContact CB-CG2 4.45Å; V46-T222 HydrophobicContact CG2-CG2 3.95Å; I49-T222 HydrophobicContact CD1-CG2 4.14Å; A218-T222 WeakPolarHBondContact O-CB 3.4Å; A218-T222 PolarHBondContact O-N 3.21Å; A218-T222 PolarHBondContact O-OG1 3.45Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 2.86Å; I219-T222 VanDerWaalsContact O-N 3.17Å; T222-S226 WeakPolarHBondContact O-CB 3.21Å; T222-S226 PolarHBondContact O-N 3.06Å; T222-S226 VanDerWaalsContact O-N 3.09Å
223F98.7Very high97.9Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-64-42.1173.5-73.1-15.6000113.1C45 I49 A151 I153 V178 K180 I209 I219 G220 R221 I229 L232 K253C45-F223 WeakPolarHBondContact SG-CD1 3.23Å; C45-F223 WeakPolarHBondContact SG-CE1 3.3Å; I49-F223 HydrophobicContact CD1-CD1 4.15Å; I49-F223 HydrophobicContact CD1-CE1 4.42Å; A151-F223 HydrophobicContact CB-CB 3.98Å; A151-F223 HydrophobicContact CB-CD1 3.76Å; A151-F223 HydrophobicContact CB-CD2 3.73Å; A151-F223 HydrophobicContact CB-CE1 4.03Å; A151-F223 HydrophobicContact CB-CE2 4.02Å; A151-F223 HydrophobicContact CB-CG 3.58Å; A151-F223 HydrophobicContact CB-CZ 4.15Å; I153-F223 HydrophobicContact CD1-CD2 3.97Å; I153-F223 HydrophobicContact CD1-CE2 4.45Å; I153-F223 HydrophobicContact CG1-CD2 3.88Å; I153-F223 HydrophobicContact CG1-CE2 3.89Å; V178-F223 HydrophobicContact CB-CE1 4.29Å; V178-F223 HydrophobicContact CB-CZ 4.34Å; V178-F223 HydrophobicContact CG1-CE1 3.83Å; V178-F223 HydrophobicContact CG1-CZ 3.83Å; K180-F223 HydrophobicContact CB-CE2 3.99Å; K180-F223 HydrophobicContact CB-CZ 4.36Å; I209-F223 HydrophobicContact CD1-CE1 4.1Å; I209-F223 HydrophobicContact CD1-CZ 3.79Å; I219-F223 HydrophobicContact CG2-CD2 4.22Å; I219-F223 HydrophobicContact CG2-CE1 4.34Å; I219-F223 HydrophobicContact CG2-CE2 3.93Å; I219-F223 HydrophobicContact CG2-CZ 4.01Å; I219-F223 PolarHBondContact O-N 3.27Å; G220-F223 WeakPolarHBondContact O-CB 3.49Å; G220-F223 PolarHBondContact O-N 3.02Å; R221-F223 VanDerWaalsContact C-N 3.27Å; R221-F223 PolarHBondContact O-N 2.9Å; F223-I229 HydrophobicContact CB-CD1 4.05Å; F223-I229 HydrophobicContact CD1-CD1 3.64Å; F223-I229 HydrophobicContact CE1-CD1 4.45Å; F223-I229 HydrophobicContact CG-CD1 4.17Å; F223-I229 WeakPolarHBondContact O-CD1 3.38Å; F223-L232 HydrophobicContact CB-CD1 4.04Å; F223-L232 HydrophobicContact CD2-CD1 4.32Å; F223-K253 VanDerWaalsContact O-CE 3.29Å; F223-K253 WeakPolarHBondContact O-CE 3.49Å
224C98.6Very high98.1Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-71.7-39.3-178.1-62.80000113G220 R221 N247 C248 T251 K253G220-C224 PolarHBondContact O-N 3.4Å; G220-C224 PolarHBondContact O-SG 3.47Å; R221-C224 PolarHBondContact O-N 2.79Å; C224-N247 HydrophobicContact CB-CB 3.6Å; C224-C248 VanDerWaalsContact SG-SG 3.65Å; C224-T251 WeakPolarHBondContact O-CG2 3.5Å; C224-T251 PolarHBondContact O-OG1 2.82Å; C224-K253 WeakPolarHBondContact O-CE 3.31Å
225E98.2Very high98.1Very high107 Ų10737.5 Ų37.550%0.519%0.193SC..Hα-helixtrans-86.9-21.9-173.4-67169.9-177.200113.1R221 K227 T251R221-E225 VanDerWaalsContact O-CB 3.31Å; R221-E225 WeakPolarHBondContact O-CB 3.41Å; R221-E225 VanDerWaalsContact O-CG 3.3Å; R221-E225 WeakPolarHBondContact O-CG 3.42Å; R221-E225 PolarHBondContact O-N 3.37Å; E225-K227 PolarHBondContact O-N 3.22Å; E225-T251 WeakPolarHBondContact O-CG2 3.26Å
226S98.3Very high98.2Very high21 Ų2136.1 Ų36.115%0.14719%0.193CC..  trans-66.8129179.1179.50000111.7T222 D228 K253T222-S226 WeakPolarHBondContact O-CB 3.21Å; T222-S226 PolarHBondContact O-N 3.06Å; T222-S226 VanDerWaalsContact O-N 3.09Å; S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact OG-N 3.49Å; S226-K253 PolarHBondContact O-NZ 2.93Å
227K97.7Very high98.2Very high189 Ų18937.5 Ų37.582%0.82220%0.201SC*.THydrogen-bonded Turntrans-77.5-14.3173-66.1-175.7178.6-179.30113.2E225 I229E225-K227 PolarHBondContact O-N 3.22Å; K227-I229 VanDerWaalsContact C-N 3.31Å
228D97.6Very high98.2Very high95 Ų9534.8 Ų34.851%0.50819%0.187SC..THydrogen-bonded Turntrans-79.9-16.8177.6-66.5-32.4000112.4I49 V149 S226I49-D228 HydrophobicContact CG2-CB 3.7Å; V149-D228 WeakPolarHBondContact CB-O 3.22Å; S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact OG-N 3.49Å
229I98.5Very high98.2Very high3 Ų339.2 Ų39.22%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-89.6122.6175.5-69.4166.4000109.4I49 V149 A151 F223 K227 V231 K253I49-I229 HydrophobicContact CD1-CD1 3.61Å; I49-I229 HydrophobicContact CD1-CG1 4.38Å; I49-I229 HydrophobicContact CG1-CD1 3.93Å; I49-I229 HydrophobicContact CG1-CG1 4.34Å; I49-I229 HydrophobicContact CG2-CG1 4.43Å; V149-I229 HydrophobicContact CG1-CG1 4.28Å; A151-I229 HydrophobicContact CB-CD1 3.63Å; A151-I229 HydrophobicContact CB-CG1 4.18Å; A151-I229 HydrophobicContact CB-CG2 3.84Å; F223-I229 HydrophobicContact CB-CD1 4.05Å; F223-I229 HydrophobicContact CD1-CD1 3.64Å; F223-I229 HydrophobicContact CE1-CD1 4.45Å; F223-I229 HydrophobicContact CG-CD1 4.17Å; F223-I229 WeakPolarHBondContact O-CD1 3.38Å; K227-I229 VanDerWaalsContact C-N 3.31Å; I229-V231 VanDerWaalsContact CG2-O 3.23Å; I229-V231 WeakPolarHBondContact CG2-O 3.22Å; I229-K253 HydrophobicContact CG2-CD 3.96Å; I229-K253 PolarHBondContact O-NZ 3.5Å
230A97.9Very high98.1Very high27 Ų2742.1 Ų42.122%0.22322%0.224CC..EExtended strand (participates in β ladder)trans-93.6-26.1177.700000113.1A147 V149 K253 R254A147-A230 VanDerWaalsContact C-CB 3.46Å; A147-A230 HydrophobicContact CB-CB 4.11Å; A147-A230 WeakPolarHBondContact O-CB 3.21Å; V149-A230 PolarHBondContact O-N 2.85Å; A230-K253 WeakPolarHBondContact O-CB 3.29Å; A230-R254 PolarHBondContact O-N 2.98Å
231V98.6Very high98.1Very high0 Ų041.9 Ų41.90%022%0.221CC..EExtended strand (participates in β ladder)trans-135.1128.7-178.2-170.90000109.9A147 V149 A150 A151 I229 R254 Y488A147-V231 HydrophobicContact CB-CG2 3.57Å; V149-V231 PolarHBondContact O-N 2.83Å; A150-V231 CarbonylContact C-O 3.58Å; A150-V231 WeakPolarHBondContact CA-O 3.41Å; A150-V231 HydrophobicContact CB-CB 4.11Å; A151-V231 PolarHBondContact N-O 3.41Å; I229-V231 VanDerWaalsContact CG2-O 3.23Å; I229-V231 WeakPolarHBondContact CG2-O 3.22Å; V231-R254 CarbonylContact C-O 3.4Å; V231-R254 WeakPolarHBondContact CA-O 3.29Å; V231-R254 HydrophobicContact CB-CB 4.45Å; V231-R254 HydrophobicContact CG1-CB 4.2Å; V231-R254 HydrophobicContact CG2-CB 4.15Å; V231-Y488 HydrophobicContact CB-CD1 4.42Å; V231-Y488 HydrophobicContact CG1-CD1 4.06Å; V231-Y488 HydrophobicContact CG1-CE1 3.98Å; V231-Y488 HydrophobicContact CG2-CD1 4.36Å
232L98.7Very high98.1Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-102120.7161.8-177.872.1000108.7A151 I153 F223 L244 C248 K253 R254 V255 C256A151-L232 HydrophobicContact CB-CD1 4.13Å; I153-L232 HydrophobicContact CD1-CD1 4.48Å; F223-L232 HydrophobicContact CB-CD1 4.04Å; F223-L232 HydrophobicContact CD2-CD1 4.32Å; L232-L244 HydrophobicContact CD2-CB 3.89Å; L232-L244 HydrophobicContact CD2-CD1 4.43Å; L232-L244 HydrophobicContact CD2-CD2 4.26Å; L232-L244 HydrophobicContact CD2-CG 4.42Å; L232-C248 WeakPolarHBondContact CD2-SG 3.27Å; L232-K253 HydrophobicContact CB-CD 4.2Å; L232-R254 PolarHBondContact N-O 3.15Å; L232-V255 WeakPolarHBondContact O-CA 3.34Å; L232-C256 PolarHBondContact O-N 3.19Å
233S98.7Very high98.1Very high0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans-114.4120.7173.1-172.60000110.1A151 M152 I153 K166 C256 Y488A151-S233 PolarHBondContact O-N 3.35Å; M152-S233 VanDerWaalsContact CA-O 3.26Å; M152-S233 WeakPolarHBondContact CA-O 3.38Å; I153-S233 PolarHBondContact N-O 3.17Å; K166-S233 WeakPolarHBondContact CD-OG 3.48Å; K166-S233 PolarHBondContact NZ-OG 3.42Å; S233-C256 CarbonylContact C-O 3.55Å; S233-C256 WeakPolarHBondContact CA-O 3.05Å; S233-Y488 PolarHBondContact OG-OH 3.33Å
234F98.7Very high98.1Very high9 Ų944.7 Ų44.74%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-125.6138-177170.6-111.6000110.9I153 K166 G236 V240 L244 C256 L257 E258 L259I153-F234 HydrophobicContact CB-CD2 3.78Å; I153-F234 HydrophobicContact CB-CE2 4.47Å; I153-F234 HydrophobicContact CG2-CD2 3.67Å; I153-F234 HydrophobicContact CG2-CE2 3.86Å; I153-F234 WeakPolarHBondContact O-CA 3.45Å; K166-F234 PolarHBondContact NZ-O 3.46Å; F234-G236 VanDerWaalsContact CZ-CA 3.44Å; F234-V240 HydrophobicContact CE1-CB 4.23Å; F234-V240 HydrophobicContact CE1-CG1 4.16Å; F234-V240 HydrophobicContact CE2-CG1 3.86Å; F234-V240 HydrophobicContact CZ-CB 3.75Å; F234-V240 HydrophobicContact CZ-CG1 3.49Å; F234-V240 VanDerWaalsContact CZ-CG1 3.49Å; F234-L244 HydrophobicContact CB-CD1 3.89Å; F234-L244 HydrophobicContact CD1-CD1 3.94Å; F234-L244 HydrophobicContact CD2-CD1 3.6Å; F234-L244 HydrophobicContact CE1-CD1 4.36Å; F234-L244 HydrophobicContact CE2-CD1 4.03Å; F234-L244 HydrophobicContact CG-CD1 3.52Å; F234-L244 HydrophobicContact CZ-CD1 4.38Å; F234-C256 PolarHBondContact N-O 2.92Å; F234-L257 HydrophobicContact CB-CD2 3.87Å; F234-L257 HydrophobicContact CD1-CD2 4.17Å; F234-L257 WeakPolarHBondContact O-CA 3.32Å; F234-E258 PolarHBondContact O-N 3.03Å; F234-L259 HydrophobicContact CD1-CD2 3.59Å; F234-L259 HydrophobicContact CE1-CD2 3.54Å
235T98.7Very high98.1Very high10 Ų1048.1 Ų48.16%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-125.9124.9164.3-58.10000109.2I153 P155 M162 K166 E258I153-T235 PolarHBondContact O-N 2.79Å; P155-T235 WeakPolarHBondContact CD-O 3.28Å; P155-T235 HydrophobicContact CG-CG2 3.79Å; M162-T235 HydrophobicContact SD-CG2 4.02Å; K166-T235 WeakPolarHBondContact CE-OG1 3.14Å; K166-T235 PolarHBondContact NZ-OG1 3.4Å; T235-E258 VanDerWaalsContact CA-O 3.24Å; T235-E258 WeakPolarHBondContact CA-O 3.32Å; T235-E258 HydrophobicContact CG2-CB 3.9Å; T235-E258 WeakPolarHBondContact OG1-CB 3.23Å
236G97.6Very high98.1Very high22 Ų2246.6 Ų46.623%0.22726%0.259CS..SBendtrans165.4-154.8-178.500000113.7F234 E258 L259 G260F234-G236 VanDerWaalsContact CZ-CA 3.44Å; G236-E258 PolarHBondContact N-O 2.95Å; G236-E258 VanDerWaalsContact N-O 3.1Å; G236-L259 WeakPolarHBondContact O-CA 3.28Å; G236-G260 PolarHBondContact O-N 3.2Å
237S96.7Very high98.1Very high59 Ų5947.5 Ų47.541%0.41326%0.262SS..  trans-67.3145.7-176.760.20000112.7D239 V240 G241S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 2.91Å; S237-V240 PolarHBondContact O-N 3.4Å; S237-V240 WeakPolarHBondContact OG-CB 3.45Å; S237-V240 VanDerWaalsContact OG-CG2 3.26Å; S237-V240 WeakPolarHBondContact OG-CG2 3.21Å; S237-G241 PolarHBondContact O-N 3.41Å
238T97.5Very high98.1Very high21 Ų2138.6 Ų38.613%0.12922%0.224CC..Hα-helixtrans-54.2-41.2176.7-59.40000113.3G241 K242 L259 E473T238-G241 PolarHBondContact O-N 3.04Å; T238-K242 HydrophobicContact CG2-CD 4.23Å; T238-K242 HydrophobicContact CG2-CG 4.49Å; T238-K242 WeakPolarHBondContact O-CG 3.09Å; T238-K242 PolarHBondContact O-N 2.99Å; T238-L259 HydrophobicContact CG2-CD1 4.44Å; T238-E473 HydrophobicContact CG2-CB 3.87Å; T238-E473 PolarHBondContact OG1-O 2.88Å
239D97.2Very high98.1Very high126 Ų12637.6 Ų37.667%0.67422%0.224SC*.Hα-helixtrans-63.6-45.4-178.7-63.7-25.9000112.8S237 G241 K242 L243S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 2.91Å; D239-G241 VanDerWaalsContact C-N 3.32Å; D239-K242 PolarHBondContact O-N 3.23Å; D239-L243 PolarHBondContact O-N 3.36Å
240V97.9Very high97.9Very high62 Ų6244.2 Ų44.238%0.37626%0.259SS..Hα-helixtrans-65.5-38.3174.4176.20000110.7F234 S237 K242 L243 L244F234-V240 HydrophobicContact CE1-CB 4.23Å; F234-V240 HydrophobicContact CE1-CG1 4.16Å; F234-V240 HydrophobicContact CE2-CG1 3.86Å; F234-V240 HydrophobicContact CZ-CB 3.75Å; F234-V240 HydrophobicContact CZ-CG1 3.49Å; F234-V240 VanDerWaalsContact CZ-CG1 3.49Å; S237-V240 PolarHBondContact O-N 3.4Å; S237-V240 WeakPolarHBondContact OG-CB 3.45Å; S237-V240 VanDerWaalsContact OG-CG2 3.26Å; S237-V240 WeakPolarHBondContact OG-CG2 3.21Å; V240-K242 PolarHBondContact O-N 3.21Å; V240-L243 PolarHBondContact O-N 2.8Å; V240-L244 HydrophobicContact CG1-CD1 3.91Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CB 3.24Å; V240-L244 VanDerWaalsContact O-CG 3.3Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.21Å
241G98.3Very high97.9Very high0 Ų044.6 Ų44.60%026%0.259CS..Hα-helixtrans-58.8-45.417500000112.8S237 T238 D239 L244 L245S237-G241 PolarHBondContact O-N 3.41Å; T238-G241 PolarHBondContact O-N 3.04Å; D239-G241 VanDerWaalsContact C-N 3.32Å; G241-L244 PolarHBondContact O-N 2.92Å; G241-L245 WeakPolarHBondContact O-CB 3.49Å; G241-L245 PolarHBondContact O-N 3.13Å
242K98.2Very high97.8Very high91 Ų9151 Ų5140%0.39630%0.298SS..Hα-helixtrans-61.6-43.8175.2-73.6172.9173.6175.30111.8T238 D239 V240 L245 S246 E473T238-K242 HydrophobicContact CG2-CD 4.23Å; T238-K242 HydrophobicContact CG2-CG 4.49Å; T238-K242 WeakPolarHBondContact O-CG 3.09Å; T238-K242 PolarHBondContact O-N 2.99Å; D239-K242 PolarHBondContact O-N 3.23Å; V240-K242 PolarHBondContact O-N 3.21Å; K242-L245 PolarHBondContact O-N 3.36Å; K242-S246 WeakPolarHBondContact O-CB 3.23Å; K242-S246 PolarHBondContact O-N 3.41Å; K242-E473 VanDerWaalsContact CE-OE1 3.3Å; K242-E473 WeakPolarHBondContact CE-OE1 3.26Å; K242-E473 WeakPolarHBondContact CE-OE2 3.35Å; K242-E473 IonicContact NZ-OE1 3.49Å; K242-E473 PolarHBondContact NZ-OE1 2.96Å; K242-E473 IonicContact NZ-OE2 3.17Å; K242-E473 PolarHBondContact NZ-OE2 2.99Å
243L98.2Very high97.7Very high88 Ų8852.1 Ų52.146%0.46130%0.303SS..Hα-helixtrans-61.4-48.2176.6177.162.8000111.7D239 V240 S246 N247D239-L243 PolarHBondContact O-N 3.36Å; V240-L243 PolarHBondContact O-N 2.8Å; L243-S246 PolarHBondContact O-N 3.31Å; L243-N247 VanDerWaalsContact O-CG 3.25Å; L243-N247 PolarHBondContact O-N 3.36Å; L243-N247 PolarHBondContact O-ND2 3.35Å
244L98.5Very high97.6Very high9 Ų955.9 Ų55.95%0.04732%0.317CS..Hα-helixtrans-62.1-43.9178.3-72173.4000111.7I153 L232 F234 V240 G241 S246 N247 C248I153-L244 HydrophobicContact CD1-CD1 4.03Å; I153-L244 HydrophobicContact CD1-CD2 4.15Å; L232-L244 HydrophobicContact CD2-CB 3.89Å; L232-L244 HydrophobicContact CD2-CD1 4.43Å; L232-L244 HydrophobicContact CD2-CD2 4.26Å; L232-L244 HydrophobicContact CD2-CG 4.42Å; F234-L244 HydrophobicContact CB-CD1 3.89Å; F234-L244 HydrophobicContact CD1-CD1 3.94Å; F234-L244 HydrophobicContact CD2-CD1 3.6Å; F234-L244 HydrophobicContact CE1-CD1 4.36Å; F234-L244 HydrophobicContact CE2-CD1 4.03Å; F234-L244 HydrophobicContact CG-CD1 3.52Å; F234-L244 HydrophobicContact CZ-CD1 4.38Å; V240-L244 HydrophobicContact CG1-CD1 3.91Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CB 3.24Å; V240-L244 VanDerWaalsContact O-CG 3.3Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.21Å; G241-L244 PolarHBondContact O-N 2.92Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.19Å; L244-N247 PolarHBondContact O-N 2.89Å; L244-C248 PolarHBondContact O-N 2.91Å; L244-C248 PolarHBondContact O-SG 2.83Å
245L98.1Very high97.6Very high72 Ų7256.6 Ų56.638%0.37732%0.322SS..Hα-helixtrans-58.2-46175.6-178.560.7000111.6G241 K242 C248 S249 V255 L257 L476G241-L245 WeakPolarHBondContact O-CB 3.49Å; G241-L245 PolarHBondContact O-N 3.13Å; K242-L245 PolarHBondContact O-N 3.36Å; L245-C248 PolarHBondContact O-N 2.92Å; L245-S249 PolarHBondContact O-N 3.42Å; L245-V255 HydrophobicContact CD1-CB 4.06Å; L245-V255 HydrophobicContact CD1-CG1 3.9Å; L245-V255 HydrophobicContact CD1-CG2 4.24Å; L245-L257 HydrophobicContact CB-CD1 4.15Å; L245-L257 HydrophobicContact CD2-CD1 4.32Å; L245-L476 HydrophobicContact CD1-CD1 4.13Å; L245-L476 HydrophobicContact CD2-CD1 3.86Å
246S98.1Very high97.6Very high74 Ų7456.2 Ų56.252%0.51732%0.319SS..Hα-helixtrans-60.5-46.5176.3-176.80000111.7K242 L243 L244 C248 S249K242-S246 WeakPolarHBondContact O-CB 3.23Å; K242-S246 PolarHBondContact O-N 3.41Å; L243-S246 PolarHBondContact O-N 3.31Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.19Å; S246-C248 VanDerWaalsContact C-N 3.28Å; S246-C248 PolarHBondContact O-N 2.96Å; S246-S249 VanDerWaalsContact O-CB 3.28Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 3.38Å; S246-S249 VanDerWaalsContact O-N 3.14Å; S246-S249 PolarHBondContact O-OG 3.15Å
247N98.1Very high97.6Very high40 Ų4055.3 Ų55.321%0.21431%0.309CS..Hα-helixtrans-65.6-29.4179.6-68.6-16000112.9C224 L243 L244 S249C224-N247 HydrophobicContact CB-CB 3.6Å; L243-N247 VanDerWaalsContact O-CG 3.25Å; L243-N247 PolarHBondContact O-N 3.36Å; L243-N247 PolarHBondContact O-ND2 3.35Å; L244-N247 PolarHBondContact O-N 2.89Å; N247-S249 VanDerWaalsContact C-N 3.29Å; N247-S249 PolarHBondContact O-N 3.4Å
248C98.4Very high97.7Very high3 Ų352.6 Ų52.62%0.0229%0.29CS..Hα-helixtrans-73.9-14.9176.1-78.10000114.2C224 L232 L244 L245 S246 N250 T251 V252 K253 V255C224-C248 VanDerWaalsContact SG-SG 3.65Å; L232-C248 WeakPolarHBondContact CD2-SG 3.27Å; L244-C248 PolarHBondContact O-N 2.91Å; L244-C248 PolarHBondContact O-SG 2.83Å; L245-C248 PolarHBondContact O-N 2.92Å; S246-C248 VanDerWaalsContact C-N 3.28Å; S246-C248 PolarHBondContact O-N 2.96Å; C248-N250 PolarHBondContact O-N 2.88Å; C248-T251 PolarHBondContact O-N 2.88Å; C248-T251 VanDerWaalsContact O-N 3.09Å; C248-T251 PolarHBondContact O-OG1 2.93Å; C248-V252 PolarHBondContact O-N 2.71Å; C248-V252 VanDerWaalsContact O-N 3.11Å; C248-K253 HydrophobicContact CB-CG 4.12Å; C248-V255 HydrophobicContact CB-CG2 3.6Å
249S97Very high97.7Very high73 Ų7352.1 Ų52.151%0.5129%0.287SS..THydrogen-bonded Turntrans-57.6-35.7-176.663.30000113.3L245 S246 N247 T251 V252L245-S249 PolarHBondContact O-N 3.42Å; S246-S249 VanDerWaalsContact O-CB 3.28Å; S246-S249 WeakPolarHBondContact O-CB 3.44Å; S246-S249 PolarHBondContact O-N 3.38Å; S246-S249 VanDerWaalsContact O-N 3.14Å; S246-S249 PolarHBondContact O-OG 3.15Å; N247-S249 VanDerWaalsContact C-N 3.29Å; N247-S249 PolarHBondContact O-N 3.4Å; S249-T251 PolarHBondContact O-N 3.02Å; S249-V252 WeakPolarHBondContact O-CG2 3.17Å; S249-V252 PolarHBondContact O-N 2.85Å
250N95.5Very high97.5Very high142 Ų14246.3 Ų46.376%0.75926%0.257SS*.THydrogen-bonded Turntrans-68.9-17.5-179.5-72-33.5000114.3C248C248-N250 PolarHBondContact O-N 2.88Å
251T97.5Very high97.4Very high35 Ų3543.4 Ų43.422%0.21524%0.239CC..THydrogen-bonded Turntrans-114-7.1178.561.30000113.4C224 E225 C248 S249 K253C224-T251 WeakPolarHBondContact O-CG2 3.5Å; C224-T251 PolarHBondContact O-OG1 2.82Å; E225-T251 WeakPolarHBondContact O-CG2 3.26Å; C248-T251 PolarHBondContact O-N 2.88Å; C248-T251 VanDerWaalsContact O-N 3.09Å; C248-T251 PolarHBondContact O-OG1 2.93Å; S249-T251 PolarHBondContact O-N 3.02Å; T251-K253 PolarHBondContact O-N 2.73Å; T251-K253 WeakPolarHBondContact OG1-CE 3.2Å; T251-K253 PolarHBondContact OG1-NZ 2.52Å
252V96.3Very high97.3Very high135 Ų13543.7 Ų43.782%0.81824%0.241SC*.THydrogen-bonded Turntrans49.632.3178.6-157.30000112.3C248 S249C248-V252 PolarHBondContact O-N 2.71Å; C248-V252 VanDerWaalsContact O-N 3.11Å; S249-V252 WeakPolarHBondContact O-CG2 3.17Å; S249-V252 PolarHBondContact O-N 2.85Å
253K97.2Very high97.3Very high23 Ų2339.4 Ų39.410%0.122%0.222CC..  trans-74.3162177.663.617481.3-55.20110.8F223 C224 S226 I229 A230 L232 C248 T251 V255F223-K253 VanDerWaalsContact O-CE 3.29Å; F223-K253 WeakPolarHBondContact O-CE 3.49Å; C224-K253 WeakPolarHBondContact O-CE 3.31Å; S226-K253 PolarHBondContact O-NZ 2.93Å; I229-K253 HydrophobicContact CG2-CD 3.96Å; I229-K253 PolarHBondContact O-NZ 3.5Å; A230-K253 WeakPolarHBondContact O-CB 3.29Å; L232-K253 HydrophobicContact CB-CD 4.2Å; C248-K253 HydrophobicContact CB-CG 4.12Å; T251-K253 PolarHBondContact O-N 2.73Å; T251-K253 WeakPolarHBondContact OG1-CE 3.2Å; T251-K253 PolarHBondContact OG1-NZ 2.52Å; K253-V255 HydrophobicContact CG-CG2 4.5Å
254R96.9Very high97.3Very high80 Ų8035.2 Ų35.230%0.30220%0.201SC..EExtended strand (participates in β ladder)trans-65.3138.1172.9-56.8-174.183.493-3.4109.3A230 V231 L232 E487 T489 E490A230-R254 PolarHBondContact O-N 2.98Å; V231-R254 CarbonylContact C-O 3.4Å; V231-R254 WeakPolarHBondContact CA-O 3.29Å; V231-R254 HydrophobicContact CB-CB 4.45Å; V231-R254 HydrophobicContact CG1-CB 4.2Å; V231-R254 HydrophobicContact CG2-CB 4.15Å; L232-R254 PolarHBondContact N-O 3.15Å; R254-E487 WeakPolarHBondContact CD-O 3.35Å; R254-E487 PolarHBondContact NE-O 3.34Å; R254-T489 PolarHBondContact NH1-O 3.46Å; R254-E490 VanDerWaalsContact CD-OE1 3.3Å; R254-E490 WeakPolarHBondContact CD-OE1 3.45Å; R254-E490 IonicContact CZ-OE1 3.8Å; R254-E490 IonicContact NE-OE1 3.99Å; R254-E490 IonicContact NH1-OE1 2.75Å; R254-E490 PolarHBondContact NH1-OE1 3.29Å; R254-E490 IonicContact NH1-OE2 3.3Å; R254-E490 PolarHBondContact NH1-OE2 2.95Å; R254-E490 VanDerWaalsContact NH1-OE2 3.14Å
255V98.2Very high97.3Very high24 Ų2434.8 Ų34.815%0.14520%0.198CC..EExtended strand (participates in β ladder)trans-129116.2179.6-177.60000108.5L232 L245 C248 K253 L257L232-V255 WeakPolarHBondContact O-CA 3.34Å; L245-V255 HydrophobicContact CD1-CB 4.06Å; L245-V255 HydrophobicContact CD1-CG1 3.9Å; L245-V255 HydrophobicContact CD1-CG2 4.24Å; C248-V255 HydrophobicContact CB-CG2 3.6Å; K253-V255 HydrophobicContact CG-CG2 4.5Å; V255-L257 HydrophobicContact CG1-CD1 4.04Å; V255-L257 HydrophobicContact CG1-CD2 3.49Å; V255-L257 VanDerWaalsContact CG1-CD2 3.49Å; V255-L257 HydrophobicContact CG1-CG 3.68Å
256C98Very high97.3Very high1 Ų131.4 Ų31.41%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-111.9120.4176.3174.70000108.4L232 S233 F234 L476 E487L232-C256 PolarHBondContact O-N 3.19Å; S233-C256 CarbonylContact C-O 3.55Å; S233-C256 WeakPolarHBondContact CA-O 3.05Å; F234-C256 PolarHBondContact N-O 2.92Å; C256-L476 WeakPolarHBondContact CA-O 3.12Å; C256-E487 HydrophobicContact CB-CB 4.47Å; C256-E487 HydrophobicContact CB-CG 4.43Å
257L98.6Very high97.3Very high3 Ų327.9 Ų27.92%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-125.4122.3-172-54.1177.1000109.7F234 L245 V255 L259 G475 L476F234-L257 HydrophobicContact CB-CD2 3.87Å; F234-L257 HydrophobicContact CD1-CD2 4.17Å; F234-L257 WeakPolarHBondContact O-CA 3.32Å; L245-L257 HydrophobicContact CB-CD1 4.15Å; L245-L257 HydrophobicContact CD2-CD1 4.32Å; V255-L257 HydrophobicContact CG1-CD1 4.04Å; V255-L257 HydrophobicContact CG1-CD2 3.49Å; V255-L257 VanDerWaalsContact CG1-CD2 3.49Å; V255-L257 HydrophobicContact CG1-CG 3.68Å; L257-L259 HydrophobicContact CB-CD1 4.12Å; L257-L259 HydrophobicContact CB-CD2 4.02Å; L257-L259 HydrophobicContact CB-CG 3.91Å; L257-L259 HydrophobicContact CD1-CD1 4.27Å; L257-G475 CarbonylContact O-C 3.5Å; L257-G475 WeakPolarHBondContact O-CA 3.44Å; L257-L476 HydrophobicContact CD1-CD1 4.17Å; L257-L476 HydrophobicContact CD1-CG 4.49Å; L257-L476 PolarHBondContact N-O 3.16Å; L257-L476 PolarHBondContact O-N 2.9Å
258E98.4Very high97.2Very high3 Ų326.1 Ų26.11%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-109.1103.8166.3-73.3-61.9145.100108.7F234 T235 G236 F468 G469 E479F234-E258 PolarHBondContact O-N 3.03Å; T235-E258 VanDerWaalsContact CA-O 3.24Å; T235-E258 WeakPolarHBondContact CA-O 3.32Å; T235-E258 HydrophobicContact CG2-CB 3.9Å; T235-E258 WeakPolarHBondContact OG1-CB 3.23Å; G236-E258 PolarHBondContact N-O 2.95Å; G236-E258 VanDerWaalsContact N-O 3.1Å; E258-F468 HydrophobicContact CG-CD1 4.41Å; E258-F468 WeakPolarHBondContact OE2-CD1 3.44Å; E258-F468 VanDerWaalsContact OE2-CE1 3.23Å; E258-F468 WeakPolarHBondContact OE2-CE1 3.2Å; E258-G469 WeakPolarHBondContact OE1-CA 3.4Å; E258-G469 WeakPolarHBondContact OE2-CA 3.43Å; E258-E479 HydrophobicContact CG-CG 3.71Å; E258-E479 WeakPolarHBondContact CG-OE2 3.42Å
259L98.1Very high97.1Very high10 Ų1028.9 Ų28.95%0.05216%0.164CC..  trans-108-175.3-169-52.8178.9000111.9F234 G236 T238 L257 E473 S474F234-L259 HydrophobicContact CD1-CD2 3.59Å; F234-L259 HydrophobicContact CE1-CD2 3.54Å; G236-L259 WeakPolarHBondContact O-CA 3.28Å; T238-L259 HydrophobicContact CG2-CD1 4.44Å; L257-L259 HydrophobicContact CB-CD1 4.12Å; L257-L259 HydrophobicContact CB-CD2 4.02Å; L257-L259 HydrophobicContact CB-CG 3.91Å; L257-L259 HydrophobicContact CD1-CD1 4.27Å; L259-E473 WeakPolarHBondContact CD1-O 3.27Å; L259-S474 PolarHBondContact N-O 2.87Å
260G93.1Very high97Very high5 Ų527.4 Ų27.45%0.05215%0.154CC..  trans-59.5158.1-175.300000113.4G236 S474G236-G260 PolarHBondContact O-N 3.2Å; G260-S474 WeakPolarHBondContact O-CB 3.23Å; G260-S474 PolarHBondContact O-OG 3.34Å
261G95.2Very high97.1Very high0 Ų021.2 Ų21.20%012%0.122CC..  trans-124.6160.3176.100000112.1E387G261-E387 PolarHBondContact N-OE1 3.16Å; G261-E387 VanDerWaalsContact O-CB 3.28Å; G261-E387 WeakPolarHBondContact O-CB 3.43Å; G261-E387 VanDerWaalsContact O-CD 3.23Å; G261-E387 WeakPolarHBondContact O-CG 3.21Å
262N96.8Very high97.1Very high6 Ų622 Ų223%0.03213%0.125CC..  trans-142.661.9169.8-165.210.9000109.6N296 R297 V384 T428N262-N296 WeakPolarHBondContact OD1-CB 3.43Å; N262-R297 PolarHBondContact O-NE 2.83Å; N262-R297 PolarHBondContact O-NH2 3.29Å; N262-V384 PolarHBondContact ND2-O 2.95Å; N262-T428 VanDerWaalsContact CB-OG1 3.29Å; N262-T428 WeakPolarHBondContact CB-OG1 3.33Å; N262-T428 PolarHBondContact N-OG1 3.14Å
263A98.1Very high97.2Very high1 Ų116.4 Ų16.41%0.0089%0.091CC..EExtended strand (participates in β ladder)trans-64129.9-161.300000112.4C294 N296 R297 A431 Y433A263-C294 WeakPolarHBondContact CB-O 3.37Å; A263-N296 PolarHBondContact O-N 3.44Å; A263-R297 PolarHBondContact O-N 3.11Å; A263-A431 VanDerWaalsContact CA-O 3.26Å; A263-A431 WeakPolarHBondContact CA-O 3.44Å; A263-A431 HydrophobicContact CB-CB 4.34Å; A263-A431 WeakPolarHBondContact CB-O 2.96Å; A263-Y433 HydrophobicContact CB-CD2 4.19Å; A263-Y433 HydrophobicContact CB-CE2 3.91Å
264P97.8Very high97.3Very high1 Ų125.1 Ų25.11%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-71.2148.2167.732.5-33.9000110.3I266 R297 F299 A423 A431 Y433P264-I266 HydrophobicContact CB-CG1 4.48Å; P264-R297 CarbonylContact C-O 3.52Å; P264-R297 WeakPolarHBondContact CA-O 3.27Å; P264-F299 HydrophobicContact CB-CD2 4.14Å; P264-F299 HydrophobicContact CB-CE2 3.82Å; P264-A423 HydrophobicContact CB-CB 3.77Å; P264-A423 HydrophobicContact CG-CB 4.04Å; P264-A431 WeakPolarHBondContact CD-O 3.23Å; P264-Y433 PolarHBondContact O-N 2.84Å
265F98.5Very high97.3Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-130.5106.4170.1-172.4-76.9000108.6V267 A276 A280 A295 R297 F298 F299 F308 Y433 Y435F265-V267 HydrophobicContact CD1-CG2 3.92Å; F265-V267 HydrophobicContact CE1-CG2 3.56Å; F265-A276 VanDerWaalsContact CZ-O 3.32Å; F265-A276 WeakPolarHBondContact CZ-O 3.35Å; F265-A280 HydrophobicContact CE1-CB 4.24Å; F265-A280 HydrophobicContact CE2-CB 4.41Å; F265-A280 HydrophobicContact CZ-CB 3.98Å; F265-A295 HydrophobicContact CB-CB 3.78Å; F265-A295 HydrophobicContact CD2-CB 3.95Å; F265-A295 HydrophobicContact CG-CB 4.25Å; F265-R297 PolarHBondContact N-O 3.28Å; F265-F298 HydrophobicContact CB-CD1 3.72Å; F265-F298 HydrophobicContact CB-CE1 3.82Å; F265-F298 HydrophobicContact CB-CG 4.11Å; F265-F298 HydrophobicContact CB-CZ 4.32Å; F265-F298 AromaticContact CD1-CD1 3.43Å; F265-F298 HydrophobicContact CD1-CD1 3.43Å; F265-F298 VanDerWaalsContact CD1-CD1 3.43Å; F265-F298 AromaticContact CD1-CE1 3.61Å; F265-F298 HydrophobicContact CD1-CE1 3.61Å; F265-F298 HydrophobicContact CD1-CG 4.46Å; F265-F298 HydrophobicContact CD2-CD1 4.5Å; F265-F298 AromaticContact CD2-CE1 3.94Å; F265-F298 HydrophobicContact CD2-CE1 3.94Å; F265-F298 HydrophobicContact CE1-CD1 4.16Å; F265-F298 HydrophobicContact CE1-CE1 4.13Å; F265-F298 HydrophobicContact CE2-CE1 4.43Å; F265-F298 AromaticContact CG-CD1 3.63Å; F265-F298 HydrophobicContact CG-CD1 3.63Å; F265-F298 AromaticContact CG-CE1 3.51Å; F265-F298 HydrophobicContact CG-CE1 3.51Å; F265-F298 HydrophobicContact CG-CZ 4.32Å; F265-F298 CarbonylContact O-C 3.56Å; F265-F298 WeakPolarHBondContact O-CA 3.38Å; F265-F299 PolarHBondContact O-N 3.02Å; F265-F308 HydrophobicContact CE1-CE2 4.46Å; F265-F308 HydrophobicContact CE1-CZ 4.36Å; F265-Y433 CarbonylContact C-O 3.42Å; F265-Y433 VanDerWaalsContact CA-O 3.28Å; F265-Y433 WeakPolarHBondContact CA-O 3.24Å; F265-Y433 HydrophobicContact CD2-CD2 4.39Å; F265-Y433 HydrophobicContact CD2-CG 4.15Å; F265-Y435 AromaticContact CE1-CD2 3.95Å; F265-Y435 HydrophobicContact CE1-CD2 3.95Å; F265-Y435 HydrophobicContact CE1-CE2 4.13Å; F265-Y435 HydrophobicContact CE2-CD2 4.09Å; F265-Y435 AromaticContact CE2-CE2 3.48Å; F265-Y435 HydrophobicContact CE2-CE2 3.48Å; F265-Y435 VanDerWaalsContact CE2-CE2 3.48Å; F265-Y435 AromaticContact CZ-CD2 3.5Å; F265-Y435 HydrophobicContact CZ-CD2 3.5Å; F265-Y435 AromaticContact CZ-CE2 3.22Å; F265-Y435 HydrophobicContact CZ-CE2 3.22Å
266I98Very high97.4Very high0 Ų021.8 Ų21.80%012%0.115CC..EExtended strand (participates in β ladder)trans-107.4127.2-170.8-51168.6000110.2P264 F268 F299 Y398 V419 A423 Y433 F434 Y435 L449P264-I266 HydrophobicContact CB-CG1 4.48Å; I266-F268 HydrophobicContact CB-CE2 4.22Å; I266-F268 HydrophobicContact CG2-CD1 4.44Å; I266-F268 HydrophobicContact CG2-CD2 3.99Å; I266-F268 HydrophobicContact CG2-CE1 4.12Å; I266-F268 HydrophobicContact CG2-CE2 3.63Å; I266-F268 HydrophobicContact CG2-CG 4.39Å; I266-F268 HydrophobicContact CG2-CZ 3.7Å; I266-F299 CarbonylContact C-O 3.58Å; I266-F299 WeakPolarHBondContact CA-O 3.22Å; I266-F299 HydrophobicContact CG1-CB 4.24Å; I266-F299 HydrophobicContact CG1-CD2 4.08Å; I266-F299 HydrophobicContact CG2-CB 4.45Å; I266-Y398 HydrophobicContact CG2-CE1 4.29Å; I266-V419 HydrophobicContact CD1-CG2 4.18Å; I266-V419 HydrophobicContact CG1-CG2 4.21Å; I266-V419 HydrophobicContact CG2-CG1 4.37Å; I266-V419 HydrophobicContact CG2-CG2 3.84Å; I266-A423 HydrophobicContact CD1-CB 4Å; I266-Y433 PolarHBondContact N-O 2.71Å; I266-F434 HydrophobicContact CB-CB 3.83Å; I266-F434 CarbonylContact O-C 3.52Å; I266-F434 WeakPolarHBondContact O-CA 3.21Å; I266-Y435 PolarHBondContact O-N 3.49Å; I266-L449 HydrophobicContact CD1-CD2 4.11Å
267V98Very high97.4Very high0 Ų022.3 Ų22.30%012%0.118CC..EExtended strand (participates in β ladder)trans-112.3103175-173.60000108.7F265 A271 L273 A276 F299 V300 H301 V304 F308F265-V267 HydrophobicContact CD1-CG2 3.92Å; F265-V267 HydrophobicContact CE1-CG2 3.56Å; V267-A271 HydrophobicContact CG1-CB 3.73Å; V267-L273 HydrophobicContact CG1-CD2 3.75Å; V267-A276 HydrophobicContact CG1-CB 4.11Å; V267-A276 HydrophobicContact CG2-CB 4.14Å; V267-F299 PolarHBondContact N-O 3.23Å; V267-V300 HydrophobicContact CB-CG1 4.16Å; V267-V300 HydrophobicContact CB-CG2 4.44Å; V267-V300 HydrophobicContact CG2-CG2 4.26Å; V267-H301 WeakPolarHBondContact O-CB 3.43Å; V267-H301 PolarHBondContact O-N 2.95Å; V267-H301 VanDerWaalsContact O-N 3.15Å; V267-V304 HydrophobicContact CG1-CG2 4.02Å; V267-F308 HydrophobicContact CG1-CD2 4.49Å; V267-F308 HydrophobicContact CG2-CD2 4.2Å; V267-F308 HydrophobicContact CG2-CE2 3.93Å; V267-F308 HydrophobicContact CG2-CZ 4.3Å
268F96.3Very high97.4Very high4 Ų429.1 Ų29.12%0.01815%0.147CC..  trans-77.3161.3177.8-71.1-77.3000111.7I266 S270 A271 Y398 E416 V419 F434 Y435 Q441 V445I266-F268 HydrophobicContact CB-CE2 4.22Å; I266-F268 HydrophobicContact CG2-CD1 4.44Å; I266-F268 HydrophobicContact CG2-CD2 3.99Å; I266-F268 HydrophobicContact CG2-CE1 4.12Å; I266-F268 HydrophobicContact CG2-CE2 3.63Å; I266-F268 HydrophobicContact CG2-CG 4.39Å; I266-F268 HydrophobicContact CG2-CZ 3.7Å; F268-S270 PolarHBondContact O-N 3.45Å; F268-A271 WeakPolarHBondContact O-CB 3.45Å; F268-A271 PolarHBondContact O-N 3.38Å; F268-Y398 WeakPolarHBondContact CD1-OH 3.35Å; F268-E416 HydrophobicContact CE1-CG 4.31Å; F268-V419 HydrophobicContact CE1-CG1 3.9Å; F268-V419 HydrophobicContact CZ-CG1 4.18Å; F268-F434 HydrophobicContact CD2-CB 4.39Å; F268-F434 HydrophobicContact CD2-CD2 4.12Å; F268-F434 HydrophobicContact CE2-CB 3.97Å; F268-F434 AromaticContact CE2-CD2 3.83Å; F268-F434 HydrophobicContact CE2-CD2 3.83Å; F268-F434 HydrophobicContact CE2-CG 4.15Å; F268-Y435 WeakPolarHBondContact CB-O 3.26Å; F268-Y435 WeakPolarHBondContact CD2-O 3.39Å; F268-Y435 PolarHBondContact N-O 3.45Å; F268-Y435 VanDerWaalsContact N-O 3.12Å; F268-Q441 VanDerWaalsContact CB-OE1 3.27Å; F268-Q441 HydrophobicContact CE2-CG 4.45Å; F268-Q441 HydrophobicContact CZ-CG 4.46Å; F268-V445 HydrophobicContact CE2-CG1 4.14Å; F268-V445 HydrophobicContact CE2-CG2 3.93Å; F268-V445 HydrophobicContact CZ-CG1 4.2Å; F268-V445 HydrophobicContact CZ-CG2 3.59Å
269P94.7Very high97.4Very high61 Ų6129 Ų2940%0.39615%0.148SC..THydrogen-bonded Turntrans-56.3-34.3180-2127.1000114.3A271 H301P269-A271 VanDerWaalsContact C-N 3.25Å; P269-A271 PolarHBondContact O-N 2.86Å; P269-H301 HydrophobicContact CG-CB 4.24Å
270S95.5Very high97.4Very high42 Ų4228.6 Ų28.629%0.29415%0.145SC..THydrogen-bonded Turntrans-82-0.9-17969.40000113.6F268 S436 R437 D438F268-S270 PolarHBondContact O-N 3.45Å; S270-S436 PolarHBondContact OG-OG 2.85Å; S270-R437 VanDerWaalsContact O-CB 3.3Å; S270-R437 WeakPolarHBondContact O-CB 3.27Å; S270-R437 WeakPolarHBondContact O-CD 3.15Å; S270-R437 WeakPolarHBondContact O-CG 3.41Å; S270-R437 PolarHBondContact O-N 2.95Å; S270-R437 PolarHBondContact OG-N 3.46Å; S270-R437 VanDerWaalsContact OG-N 3.08Å; S270-D438 PolarHBondContact OG-N 3.35Å
271A97.7Very high97.7Very high11 Ų1129.1 Ų29.19%0.09115%0.147CC..SBendtrans-59.3145.4-177.400000112.2V267 F268 P269 L273 Y435V267-A271 HydrophobicContact CG1-CB 3.73Å; F268-A271 WeakPolarHBondContact O-CB 3.45Å; F268-A271 PolarHBondContact O-N 3.38Å; P269-A271 VanDerWaalsContact C-N 3.25Å; P269-A271 PolarHBondContact O-N 2.86Å; A271-L273 HydrophobicContact CB-CD2 4.44Å; A271-L273 PolarHBondContact O-N 3.3Å; A271-Y435 WeakPolarHBondContact CB-O 3.14Å
272D98.3Very high97.8Very high51 Ų5132.6 Ų32.627%0.27317%0.165SC..  trans-72.5105.2159-173.5-38.3000108.8R274 A275 A276 R437D272-R274 VanDerWaalsContact C-N 3.25Å; D272-R274 PolarHBondContact O-N 3.04Å; D272-R274 WeakPolarHBondContact OD1-CB 3.13Å; D272-R274 PolarHBondContact OD1-N 3.5Å; D272-A275 HydrophobicContact CB-CB 3.82Å; D272-A275 PolarHBondContact O-N 2.75Å; D272-A275 VanDerWaalsContact O-N 3.14Å; D272-A275 PolarHBondContact OD1-N 3.08Å; D272-A275 VanDerWaalsContact OD1-N 3.08Å; D272-A276 WeakPolarHBondContact O-CB 3.35Å; D272-A276 PolarHBondContact O-N 3.28Å; D272-R437 VanDerWaalsContact CG-NH2 3.35Å; D272-R437 IonicContact OD2-CZ 2.76Å; D272-R437 IonicContact OD2-NH2 2.76Å; D272-R437 PolarHBondContact OD2-NH2 2.82Å
273L98.2Very high97.8Very high19 Ų1932.5 Ų32.510%0.09917%0.165CC..Hα-helixtrans-64.2-28.6-176.6-62.8-177.2000113.5V267 A271 A276 V277 V304 E307V267-L273 HydrophobicContact CG1-CD2 3.75Å; A271-L273 HydrophobicContact CB-CD2 4.44Å; A271-L273 PolarHBondContact O-N 3.3Å; L273-A276 PolarHBondContact O-N 2.85Å; L273-V277 WeakPolarHBondContact O-CB 3.37Å; L273-V277 VanDerWaalsContact O-CG2 3.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.47Å; L273-V277 PolarHBondContact O-N 3.22Å; L273-V304 HydrophobicContact CD1-CB 4Å; L273-V304 HydrophobicContact CD1-CG1 4.14Å; L273-V304 HydrophobicContact CD2-CB 3.73Å; L273-V304 HydrophobicContact CD2-CG1 4.1Å; L273-V304 HydrophobicContact CD2-CG2 4.07Å; L273-V304 HydrophobicContact CG-CB 4.44Å; L273-E307 HydrophobicContact CD1-CB 4.18Å; L273-E307 HydrophobicContact CD1-CG 3.75Å
274R98.1Very high97.8Very high206 Ų20632.4 Ų32.478%0.77716%0.164SC*.Hα-helixtrans-69-43.1175-63.9179.6179.9172.5-0.3110.1D272 K278D272-R274 VanDerWaalsContact C-N 3.25Å; D272-R274 PolarHBondContact O-N 3.04Å; D272-R274 WeakPolarHBondContact OD1-CB 3.13Å; D272-R274 PolarHBondContact OD1-N 3.5Å; R274-K278 WeakPolarHBondContact O-CB 3.46Å; R274-K278 PolarHBondContact O-N 3.36Å; R274-K278 VanDerWaalsContact O-N 3.08Å
275A98.5Very high97.8Very high34 Ų3432.6 Ų32.628%0.28117%0.165SC..Hα-helixtrans-65.5-41.3175.400000111.7D272 K278 G279 Y435D272-A275 HydrophobicContact CB-CB 3.82Å; D272-A275 PolarHBondContact O-N 2.75Å; D272-A275 VanDerWaalsContact O-N 3.14Å; D272-A275 PolarHBondContact OD1-N 3.08Å; D272-A275 VanDerWaalsContact OD1-N 3.08Å; A275-K278 PolarHBondContact O-N 3.45Å; A275-G279 PolarHBondContact O-N 3.07Å; A275-Y435 VanDerWaalsContact C-CE1 3.42Å; A275-Y435 HydrophobicContact CB-CD1 4.2Å; A275-Y435 HydrophobicContact CB-CE1 4.04Å; A275-Y435 VanDerWaalsContact O-CE1 3.25Å; A275-Y435 WeakPolarHBondContact O-CE1 3.33Å
276A98.7Very high97.7Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-62.5-44.7177.800000111.8F265 V267 D272 L273 G279 A280 F308 Y435F265-A276 VanDerWaalsContact CZ-O 3.32Å; F265-A276 WeakPolarHBondContact CZ-O 3.35Å; V267-A276 HydrophobicContact CG1-CB 4.11Å; V267-A276 HydrophobicContact CG2-CB 4.14Å; D272-A276 WeakPolarHBondContact O-CB 3.35Å; D272-A276 PolarHBondContact O-N 3.28Å; L273-A276 PolarHBondContact O-N 2.85Å; A276-G279 PolarHBondContact O-N 3.28Å; A276-A280 WeakPolarHBondContact O-CB 3.23Å; A276-A280 PolarHBondContact O-N 3.42Å; A276-F308 HydrophobicContact CB-CD2 4.33Å; A276-F308 HydrophobicContact CB-CE2 4.07Å; A276-Y435 VanDerWaalsContact CA-CD1 3.46Å; A276-Y435 HydrophobicContact CB-CD1 3.86Å; A276-Y435 HydrophobicContact CB-CD2 4.25Å; A276-Y435 HydrophobicContact CB-CE1 4.49Å; A276-Y435 HydrophobicContact CB-CG 3.75Å
277V98.7Very high97.6Very high12 Ų1235.4 Ų35.47%0.07318%0.175CC..Hα-helixtrans-63.4-45.1175.9170.20000111L273 G279 A280 M281 F308 K311 L312 A315L273-V277 WeakPolarHBondContact O-CB 3.37Å; L273-V277 VanDerWaalsContact O-CG2 3.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.47Å; L273-V277 PolarHBondContact O-N 3.22Å; V277-G279 VanDerWaalsContact C-N 3.28Å; V277-G279 PolarHBondContact O-N 3.16Å; V277-A280 WeakPolarHBondContact O-CB 3.17Å; V277-A280 PolarHBondContact O-N 2.83Å; V277-M281 HydrophobicContact CG1-CG 4.47Å; V277-M281 VanDerWaalsContact O-CG 3.26Å; V277-M281 WeakPolarHBondContact O-CG 3.39Å; V277-M281 PolarHBondContact O-N 2.81Å; V277-F308 HydrophobicContact CG2-CD2 3.75Å; V277-F308 HydrophobicContact CG2-CE2 3.86Å; V277-K311 HydrophobicContact CG2-CB 3.75Å; V277-L312 HydrophobicContact CG1-CD1 4.29Å; V277-A315 HydrophobicContact CG1-CB 3.95Å
278K98.4Very high97.7Very high145 Ų14535.4 Ų35.463%0.6318%0.176SC*.Hα-helixtrans-58.7-42.1174.7-175.6-178.8177.5-174.40111.7R274 A275 M281 L282R274-K278 WeakPolarHBondContact O-CB 3.46Å; R274-K278 PolarHBondContact O-N 3.36Å; R274-K278 VanDerWaalsContact O-N 3.08Å; A275-K278 PolarHBondContact O-N 3.45Å; K278-M281 PolarHBondContact O-N 2.85Å; K278-L282 HydrophobicContact CG-CD1 4.17Å; K278-L282 WeakPolarHBondContact O-CG 3.35Å; K278-L282 PolarHBondContact O-N 3.24Å
279G98.5Very high97.7Very high2 Ų235.2 Ų35.22%0.02118%0.175CC..Hα-helixtrans-61.3-44.3174.400000113.7A275 A276 V277 M281 L282 S283 Y435 A459A275-G279 PolarHBondContact O-N 3.07Å; A276-G279 PolarHBondContact O-N 3.28Å; V277-G279 VanDerWaalsContact C-N 3.28Å; V277-G279 PolarHBondContact O-N 3.16Å; G279-M281 VanDerWaalsContact C-N 3.33Å; G279-M281 PolarHBondContact O-N 2.84Å; G279-L282 PolarHBondContact O-N 3.09Å; G279-S283 VanDerWaalsContact O-CB 3.27Å; G279-S283 WeakPolarHBondContact O-CB 3.43Å; G279-S283 PolarHBondContact O-N 3.13Å; G279-S283 PolarHBondContact O-OG 3.04Å; G279-Y435 WeakPolarHBondContact CA-OH 3.49Å; G279-A459 WeakPolarHBondContact O-CB 3.26Å
280A98.6Very high97.9Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-61-44.2175.700000111F265 A276 V277 S283 K284 F298 F308 L312F265-A280 HydrophobicContact CE1-CB 4.24Å; F265-A280 HydrophobicContact CE2-CB 4.41Å; F265-A280 HydrophobicContact CZ-CB 3.98Å; A276-A280 WeakPolarHBondContact O-CB 3.23Å; A276-A280 PolarHBondContact O-N 3.42Å; V277-A280 WeakPolarHBondContact O-CB 3.17Å; V277-A280 PolarHBondContact O-N 2.83Å; A280-S283 PolarHBondContact O-OG 2.96Å; A280-K284 VanDerWaalsContact O-CB 3.29Å; A280-K284 WeakPolarHBondContact O-CB 3.5Å; A280-K284 PolarHBondContact O-N 3.2Å; A280-F298 HydrophobicContact CB-CD1 4.45Å; A280-F298 HydrophobicContact CB-CE1 3.6Å; A280-F298 HydrophobicContact CB-CZ 4.38Å; A280-F308 HydrophobicContact CB-CE2 4.43Å; A280-F308 HydrophobicContact CB-CZ 3.94Å; A280-L312 HydrophobicContact CB-CD1 3.94Å
281M98.5Very high98Very high17 Ų1730.4 Ų30.48%0.08414%0.143CC..Hα-helixtrans-60.1-49.8177.3-68.4-66.7-7100111.9V277 K278 G279 F285 L312 A315 V316 E319 L320V277-M281 HydrophobicContact CG1-CG 4.47Å; V277-M281 VanDerWaalsContact O-CG 3.26Å; V277-M281 WeakPolarHBondContact O-CG 3.39Å; V277-M281 PolarHBondContact O-N 2.81Å; K278-M281 PolarHBondContact O-N 2.85Å; G279-M281 VanDerWaalsContact C-N 3.33Å; G279-M281 PolarHBondContact O-N 2.84Å; M281-F285 HydrophobicContact CE-CD2 4.29Å; M281-F285 PolarHBondContact O-N 2.83Å; M281-F285 HydrophobicContact SD-CD2 3.8Å; M281-F285 HydrophobicContact SD-CE2 3.72Å; M281-L312 HydrophobicContact CG-CD1 4.14Å; M281-L312 HydrophobicContact SD-CD1 3.81Å; M281-A315 HydrophobicContact CE-CB 4.13Å; M281-A315 HydrophobicContact CG-CB 4.08Å; M281-A315 HydrophobicContact SD-CB 3.9Å; M281-V316 HydrophobicContact CE-CG2 4.32Å; M281-V316 HydrophobicContact SD-CG2 3.69Å; M281-E319 HydrophobicContact CE-CB 4.17Å; M281-L320 HydrophobicContact CE-CD1 3.95Å; M281-L320 HydrophobicContact CE-CD2 3.84Å; M281-L320 HydrophobicContact CE-CG 3.76Å
282L97.1Very high98Very high72 Ų7231 Ų3138%0.37715%0.145SC..Hα-helixtrans-67.9-42.2-179.3-70.5172000113K278 G279 R286 A459 M460K278-L282 HydrophobicContact CG-CD1 4.17Å; K278-L282 WeakPolarHBondContact O-CG 3.35Å; K278-L282 PolarHBondContact O-N 3.24Å; G279-L282 PolarHBondContact O-N 3.09Å; L282-R286 WeakPolarHBondContact O-CB 3.2Å; L282-A459 HydrophobicContact CB-CB 4.13Å; L282-M460 HydrophobicContact CD1-CG 4.44Å
283S96.9Very high97.9Very high4 Ų428.8 Ų28.83%0.02813%0.134CC..Hα-helixtrans-71.6-34.8-178.759.20000112.4G279 A280 C294 A295G279-S283 VanDerWaalsContact O-CB 3.27Å; G279-S283 WeakPolarHBondContact O-CB 3.43Å; G279-S283 PolarHBondContact O-N 3.13Å; G279-S283 PolarHBondContact O-OG 3.04Å; A280-S283 PolarHBondContact O-OG 2.96Å; S283-C294 VanDerWaalsContact O-CA 3.31Å; S283-C294 WeakPolarHBondContact O-CA 3.42Å; S283-C294 PolarHBondContact O-SG 2.83Å; S283-A295 WeakPolarHBondContact OG-CB 3.26Å
284K98.2Very high97.8Very high0 Ų027.9 Ų27.90%013%0.129CC..Hα-helixtrans-91.7-46.8-175.1-172.273.1-151.4-169.20114.2A280 G289 A295 N296 F298 G390 V392 V393A280-K284 VanDerWaalsContact O-CB 3.29Å; A280-K284 WeakPolarHBondContact O-CB 3.5Å; A280-K284 PolarHBondContact O-N 3.2Å; K284-G289 WeakPolarHBondContact O-CA 3.21Å; K284-G289 PolarHBondContact O-N 2.81Å; K284-A295 WeakPolarHBondContact CD-O 3.39Å; K284-A295 PolarHBondContact NZ-O 3.27Å; K284-N296 PolarHBondContact NZ-OD1 3.01Å; K284-F298 HydrophobicContact CB-CZ 4.21Å; K284-F298 HydrophobicContact CD-CE2 4.24Å; K284-G390 WeakPolarHBondContact CE-O 3.49Å; K284-G390 PolarHBondContact NZ-O 3.43Å; K284-G390 VanDerWaalsContact NZ-O 3.1Å; K284-V392 WeakPolarHBondContact CD-O 3.14Å; K284-V392 WeakPolarHBondContact CE-O 2.89Å; K284-V392 PolarHBondContact NZ-O 2.79Å; K284-V393 HydrophobicContact CB-CG2 4.15Å; K284-V393 HydrophobicContact CD-CG2 4.28Å; K284-V393 HydrophobicContact CG-CG2 3.65Å
285F98.2Very high97.8Very high4 Ų418.1 Ų18.12%0.0189%0.092CC..Hα-helixtrans-95-4.6-164.1-60.6-67.1000113.8M281 C287 S288 V316 L320 Q332 P371 P391 V393M281-F285 HydrophobicContact CE-CD2 4.29Å; M281-F285 PolarHBondContact O-N 2.83Å; M281-F285 HydrophobicContact SD-CD2 3.8Å; M281-F285 HydrophobicContact SD-CE2 3.72Å; F285-C287 PolarHBondContact O-N 2.77Å; F285-S288 WeakPolarHBondContact O-CA 3.38Å; F285-S288 PolarHBondContact O-N 3.42Å; F285-V316 HydrophobicContact CD2-CG2 4.47Å; F285-V316 HydrophobicContact CE2-CG2 3.53Å; F285-V316 HydrophobicContact CZ-CG2 3.65Å; F285-L320 HydrophobicContact CB-CD1 3.97Å; F285-L320 HydrophobicContact CB-CD2 4.19Å; F285-L320 HydrophobicContact CD1-CD1 3.69Å; F285-L320 HydrophobicContact CD2-CD1 3.53Å; F285-L320 HydrophobicContact CE1-CD1 4.01Å; F285-L320 HydrophobicContact CE2-CD1 3.86Å; F285-L320 HydrophobicContact CG-CD1 3.44Å; F285-L320 VanDerWaalsContact CG-CD1 3.44Å; F285-L320 HydrophobicContact CZ-CD1 4.08Å; F285-Q332 PolarHBondContact O-NE2 3.34Å; F285-Q332 PolarHBondContact O-OE1 3.43Å; F285-Q332 VanDerWaalsContact O-OE1 3.12Å; F285-P371 HydrophobicContact CD1-CB 4.03Å; F285-P371 HydrophobicContact CD1-CG 4.33Å; F285-P371 HydrophobicContact CE1-CB 3.6Å; F285-P371 HydrophobicContact CE1-CG 4.39Å; F285-P371 HydrophobicContact CZ-CB 4.22Å; F285-P391 HydrophobicContact CD1-CB 3.91Å; F285-P391 HydrophobicContact CE1-CB 4.16Å; F285-V393 HydrophobicContact CE1-CG2 4.32Å; F285-V393 HydrophobicContact CE2-CG2 4.07Å; F285-V393 HydrophobicContact CZ-CG2 3.57Å
286R95.7Very high97.8Very high58 Ų5816.5 Ų16.522%0.2198%0.079CC..G310 helixtrans-58.8131.2170.6-174.6175.163.3157.2-0.2110.6E104 L282 S288 G289 T291E104-R286 WeakPolarHBondContact OE1-CA 3.16Å; L282-R286 WeakPolarHBondContact O-CB 3.2Å; R286-S288 PolarHBondContact O-N 2.5Å; R286-S288 VanDerWaalsContact O-N 3.14Å; R286-G289 PolarHBondContact O-N 3.41Å; R286-T291 WeakPolarHBondContact O-CG2 3.37Å
287C97.8Very high97.7Very high1 Ų116.7 Ų16.71%0.0078%0.08CC..G310 helixtrans51.632.3-174.5-165.30000112.2Q98 E104 F285 G289 Q290 T291Q98-C287 PolarHBondContact NE2-SG 2.72Å; Q98-C287 VanDerWaalsContact NE2-SG 3.42Å; E104-C287 PolarHBondContact OE1-N 2.79Å; F285-C287 PolarHBondContact O-N 2.77Å; C287-G289 PolarHBondContact O-N 3.31Å; C287-Q290 VanDerWaalsContact O-CB 3.27Å; C287-Q290 WeakPolarHBondContact O-CB 3.27Å; C287-Q290 WeakPolarHBondContact O-CG 3.19Å; C287-Q290 PolarHBondContact O-N 3.3Å; C287-Q290 VanDerWaalsContact O-N 3.1Å; C287-Q290 PolarHBondContact O-NE2 2.99Å; C287-Q290 VanDerWaalsContact O-NE2 3.16Å; C287-T291 HydrophobicContact CB-CG2 3.91Å
288S98.3Very high97.7Very high1 Ų116.1 Ų16.11%0.0078%0.076CC..G310 helixtrans54.839.4-177-53.60000113.2F285 R286 Q290 Q332 G333 G390 P391F285-S288 WeakPolarHBondContact O-CA 3.38Å; F285-S288 PolarHBondContact O-N 3.42Å; R286-S288 PolarHBondContact O-N 2.5Å; R286-S288 VanDerWaalsContact O-N 3.14Å; S288-Q290 VanDerWaalsContact C-N 3.27Å; S288-Q290 PolarHBondContact O-N 3.43Å; S288-Q332 VanDerWaalsContact CA-OE1 3.29Å; S288-Q332 PolarHBondContact OG-OE1 2.69Å; S288-Q332 VanDerWaalsContact OG-OE1 3.13Å; S288-G333 PolarHBondContact OG-N 3.4Å; S288-G333 PolarHBondContact OG-O 2.9Å; S288-G333 VanDerWaalsContact OG-O 3.13Å; S288-G390 CarbonylContact O-C 3.39Å; S288-G390 WeakPolarHBondContact O-CA 3.5Å; S288-P391 WeakPolarHBondContact O-CD 3.33Å
289G98.2Very high97.6Very high0 Ų09.6 Ų9.60%05%0.048CC..G310 helixtrans76.98.8178.800000115.3K284 R286 C287 T291 F389 G390K284-G289 WeakPolarHBondContact O-CA 3.21Å; K284-G289 PolarHBondContact O-N 2.81Å; R286-G289 PolarHBondContact O-N 3.41Å; C287-G289 PolarHBondContact O-N 3.31Å; G289-T291 PolarHBondContact O-N 2.72Å; G289-T291 VanDerWaalsContact O-N 3.16Å; G289-F389 CarbonylContact O-C 3.48Å; G289-F389 WeakPolarHBondContact O-CA 3.45Å; G289-G390 PolarHBondContact O-N 3Å
290Q98.4Very high97.5Very high1 Ų19.5 Ų9.51%0.0055%0.047CC..  trans-8948.3-179.5-60.6174.8110.700111.8W156 N157 C287 S288 P334 L335 F389W156-Q290 HydrophobicContact CH2-CB 3.73Å; W156-Q290 HydrophobicContact CH2-CG 3.87Å; W156-Q290 HydrophobicContact CZ3-CB 3.87Å; W156-Q290 HydrophobicContact CZ3-CG 4.22Å; N157-Q290 VanDerWaalsContact CB-O 3.22Å; N157-Q290 WeakPolarHBondContact CB-O 3.45Å; N157-Q290 PolarHBondContact ND2-O 2.71Å; C287-Q290 VanDerWaalsContact O-CB 3.27Å; C287-Q290 WeakPolarHBondContact O-CB 3.27Å; C287-Q290 WeakPolarHBondContact O-CG 3.19Å; C287-Q290 PolarHBondContact O-N 3.3Å; C287-Q290 VanDerWaalsContact O-N 3.1Å; C287-Q290 PolarHBondContact O-NE2 2.99Å; C287-Q290 VanDerWaalsContact O-NE2 3.16Å; S288-Q290 VanDerWaalsContact C-N 3.27Å; S288-Q290 PolarHBondContact O-N 3.43Å; Q290-P334 PolarHBondContact NE2-O 3.17Å; Q290-L335 HydrophobicContact CG-CD2 3.75Å; Q290-L335 VanDerWaalsContact OE1-CA 3.3Å; Q290-F389 VanDerWaalsContact C-CE1 3.4Å; Q290-F389 VanDerWaalsContact CA-CD1 3.46Å; Q290-F389 HydrophobicContact CB-CD1 3.66Å; Q290-F389 HydrophobicContact CB-CE1 3.63Å; Q290-F389 HydrophobicContact CG-CD1 3.99Å; Q290-F389 HydrophobicContact CG-CE1 4.41Å; Q290-F389 WeakPolarHBondContact O-CE1 3.27Å; Q290-F389 WeakPolarHBondContact O-CZ 3.46Å
291T97.2Very high97.3Very high1 Ų110.4 Ų10.41%0.0065%0.051CC..  trans-128.5139.9177.895.50000110.9F158 R286 C287 G289 V293 C294F158-T291 HydrophobicContact CE2-CG2 3.6Å; F158-T291 HydrophobicContact CZ-CG2 3.9Å; R286-T291 WeakPolarHBondContact O-CG2 3.37Å; C287-T291 HydrophobicContact CB-CG2 3.91Å; G289-T291 PolarHBondContact O-N 2.72Å; G289-T291 VanDerWaalsContact O-N 3.16Å; T291-V293 PolarHBondContact O-N 2.87Å; T291-C294 VanDerWaalsContact O-CB 3.28Å; T291-C294 WeakPolarHBondContact O-CB 3.41Å; T291-C294 PolarHBondContact O-N 2.65Å; T291-C294 PolarHBondContact OG1-N 2.71Å; T291-C294 PolarHBondContact OG1-SG 3.2Å
292C96.9Very high97.1Very high22 Ų2214 Ų1415%0.1497%0.066CC..THydrogen-bonded Turntrans-63.3-25.1-178.451.60000113.3L430C292-L430 HydrophobicContact CB-CD2 3.65Å
293V97.6Very high96.9Very high6 Ų615.8 Ų15.84%0.0368%0.076CC..THydrogen-bonded Turntrans-94.46.9176.8-59.10000112.6T291 A295 L430 A431 Y433 M453 F468T291-V293 PolarHBondContact O-N 2.87Å; V293-A295 PolarHBondContact O-N 3.23Å; V293-L430 HydrophobicContact CG1-CD2 3.92Å; V293-L430 HydrophobicContact CG1-CG 4.21Å; V293-A431 HydrophobicContact CB-CB 3.97Å; V293-A431 HydrophobicContact CG1-CB 3.99Å; V293-Y433 VanDerWaalsContact O-CE2 3.22Å; V293-Y433 WeakPolarHBondContact O-CE2 3.01Å; V293-Y433 PolarHBondContact O-OH 3.32Å; V293-M453 HydrophobicContact CG1-CE 3.97Å; V293-F468 HydrophobicContact CG1-CE2 3.97Å; V293-F468 HydrophobicContact CG1-CZ 3.76Å
294C96Very high96.9Very high0 Ų016.3 Ų16.30%08%0.079CC..  trans-61.8137.1177.4-82.90000111.2A263 S283 T291 N296A263-C294 WeakPolarHBondContact CB-O 3.37Å; S283-C294 VanDerWaalsContact O-CA 3.31Å; S283-C294 WeakPolarHBondContact O-CA 3.42Å; S283-C294 PolarHBondContact O-SG 2.83Å; T291-C294 VanDerWaalsContact O-CB 3.28Å; T291-C294 WeakPolarHBondContact O-CB 3.41Å; T291-C294 PolarHBondContact O-N 2.65Å; T291-C294 PolarHBondContact OG1-N 2.71Å; T291-C294 PolarHBondContact OG1-SG 3.2Å; C294-N296 PolarHBondContact O-N 3.07Å; C294-N296 PolarHBondContact O-ND2 3.28Å
295A97.7Very high96.8Very high0 Ų016.3 Ų16.30%08%0.079CC..EExtended strand (participates in β ladder)trans-59.4126.5166.300000109.8F265 S283 K284 V293 F298 Y433F265-A295 HydrophobicContact CB-CB 3.78Å; F265-A295 HydrophobicContact CD2-CB 3.95Å; F265-A295 HydrophobicContact CG-CB 4.25Å; S283-A295 WeakPolarHBondContact OG-CB 3.26Å; K284-A295 WeakPolarHBondContact CD-O 3.39Å; K284-A295 PolarHBondContact NZ-O 3.27Å; V293-A295 PolarHBondContact O-N 3.23Å; A295-F298 HydrophobicContact CB-CE1 4.12Å; A295-F298 HydrophobicContact CB-CE2 3.62Å; A295-F298 HydrophobicContact CB-CZ 3.38Å; A295-Y433 HydrophobicContact CB-CD2 4.33Å
296N97.5Very high96.8Very high1 Ų120.9 Ų20.91%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-125.3-13.2-177.9-76-40.2000112.8N262 A263 K284 C294 I388 P394N262-N296 WeakPolarHBondContact OD1-CB 3.43Å; A263-N296 PolarHBondContact O-N 3.44Å; K284-N296 PolarHBondContact NZ-OD1 3.01Å; C294-N296 PolarHBondContact O-N 3.07Å; C294-N296 PolarHBondContact O-ND2 3.28Å; N296-I388 HydrophobicContact CB-CD1 4.33Å; N296-P394 WeakPolarHBondContact O-CG 3.34Å
297R97.3Very high96.9Very high4 Ų422.5 Ų22.52%0.01511%0.114CC..EExtended strand (participates in β ladder)trans-133.397.8179.2-58.1178.9-69.8140.6-1.3109.1N262 A263 P264 F265 F299 V384 Y422 A423N262-R297 PolarHBondContact O-NE 2.83Å; N262-R297 PolarHBondContact O-NH2 3.29Å; A263-R297 PolarHBondContact O-N 3.11Å; P264-R297 CarbonylContact C-O 3.52Å; P264-R297 WeakPolarHBondContact CA-O 3.27Å; F265-R297 PolarHBondContact N-O 3.28Å; R297-F299 HydrophobicContact CB-CD2 4.44Å; R297-F299 HydrophobicContact CB-CE2 3.63Å; R297-F299 HydrophobicContact CB-CZ 3.95Å; R297-F299 WeakPolarHBondContact O-CD2 3.48Å; R297-V384 WeakPolarHBondContact CD-O 3.36Å; R297-V384 HydrophobicContact CG-CG1 3.89Å; R297-Y422 PolarHBondContact NH1-O 2.94Å; R297-A423 VanDerWaalsContact CZ-O 3.31Å; R297-A423 PolarHBondContact NH1-O 3.39Å; R297-A423 PolarHBondContact NH2-O 3.38Å
298F98.1Very high97Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-89111.7-178.1-71.5-104.1000109.5F265 A280 K284 A295 F308 V393 P394 I395 I396F265-F298 HydrophobicContact CB-CD1 3.72Å; F265-F298 HydrophobicContact CB-CE1 3.82Å; F265-F298 HydrophobicContact CB-CG 4.11Å; F265-F298 HydrophobicContact CB-CZ 4.32Å; F265-F298 AromaticContact CD1-CD1 3.43Å; F265-F298 HydrophobicContact CD1-CD1 3.43Å; F265-F298 VanDerWaalsContact CD1-CD1 3.43Å; F265-F298 AromaticContact CD1-CE1 3.61Å; F265-F298 HydrophobicContact CD1-CE1 3.61Å; F265-F298 HydrophobicContact CD1-CG 4.46Å; F265-F298 HydrophobicContact CD2-CD1 4.5Å; F265-F298 AromaticContact CD2-CE1 3.94Å; F265-F298 HydrophobicContact CD2-CE1 3.94Å; F265-F298 HydrophobicContact CE1-CD1 4.16Å; F265-F298 HydrophobicContact CE1-CE1 4.13Å; F265-F298 HydrophobicContact CE2-CE1 4.43Å; F265-F298 AromaticContact CG-CD1 3.63Å; F265-F298 HydrophobicContact CG-CD1 3.63Å; F265-F298 AromaticContact CG-CE1 3.51Å; F265-F298 HydrophobicContact CG-CE1 3.51Å; F265-F298 HydrophobicContact CG-CZ 4.32Å; F265-F298 CarbonylContact O-C 3.56Å; F265-F298 WeakPolarHBondContact O-CA 3.38Å; A280-F298 HydrophobicContact CB-CD1 4.45Å; A280-F298 HydrophobicContact CB-CE1 3.6Å; A280-F298 HydrophobicContact CB-CZ 4.38Å; K284-F298 HydrophobicContact CB-CZ 4.21Å; K284-F298 HydrophobicContact CD-CE2 4.24Å; A295-F298 HydrophobicContact CB-CE1 4.12Å; A295-F298 HydrophobicContact CB-CE2 3.62Å; A295-F298 HydrophobicContact CB-CZ 3.38Å; F298-F308 HydrophobicContact CD1-CZ 4.41Å; F298-V393 HydrophobicContact CB-CG1 4.39Å; F298-V393 HydrophobicContact CD1-CG1 4.04Å; F298-V393 HydrophobicContact CD2-CB 4.43Å; F298-V393 HydrophobicContact CD2-CG1 3.47Å; F298-V393 VanDerWaalsContact CD2-CG1 3.47Å; F298-V393 HydrophobicContact CE1-CG1 4.18Å; F298-V393 HydrophobicContact CE2-CB 4.3Å; F298-V393 HydrophobicContact CE2-CG1 3.63Å; F298-V393 HydrophobicContact CE2-CG2 4.31Å; F298-V393 HydrophobicContact CG-CG1 3.69Å; F298-V393 HydrophobicContact CZ-CG1 3.98Å; F298-V393 HydrophobicContact CZ-CG2 4.41Å; F298-P394 WeakPolarHBondContact CB-O 2.9Å; F298-P394 PolarHBondContact N-O 2.79Å; F298-P394 VanDerWaalsContact N-O 3.16Å; F298-I395 HydrophobicContact CB-CG1 4.07Å; F298-I396 PolarHBondContact O-N 3.15Å
299F96.8Very high97Very high7 Ų723.4 Ų23.43%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-100.6110174.8-58.1-83.3000108.3P264 F265 I266 V267 R297 I396 Y398 V419 A423P264-F299 HydrophobicContact CB-CD2 4.14Å; P264-F299 HydrophobicContact CB-CE2 3.82Å; F265-F299 PolarHBondContact O-N 3.02Å; I266-F299 CarbonylContact C-O 3.58Å; I266-F299 WeakPolarHBondContact CA-O 3.22Å; I266-F299 HydrophobicContact CG1-CB 4.24Å; I266-F299 HydrophobicContact CG1-CD2 4.08Å; I266-F299 HydrophobicContact CG2-CB 4.45Å; V267-F299 PolarHBondContact N-O 3.23Å; R297-F299 HydrophobicContact CB-CD2 4.44Å; R297-F299 HydrophobicContact CB-CE2 3.63Å; R297-F299 HydrophobicContact CB-CZ 3.95Å; R297-F299 WeakPolarHBondContact O-CD2 3.48Å; F299-I396 HydrophobicContact CD1-CB 4.16Å; F299-I396 HydrophobicContact CD1-CD1 4.06Å; F299-I396 HydrophobicContact CD1-CG2 4.23Å; F299-I396 HydrophobicContact CE1-CB 4.49Å; F299-I396 HydrophobicContact CE1-CD1 3.58Å; F299-I396 HydrophobicContact CE1-CG2 4.49Å; F299-I396 HydrophobicContact CZ-CD1 4.1Å; F299-Y398 HydrophobicContact CB-CD1 3.78Å; F299-Y398 HydrophobicContact CB-CE1 3.94Å; F299-V419 HydrophobicContact CB-CG2 3.72Å; F299-V419 HydrophobicContact CD1-CG2 4.34Å; F299-V419 HydrophobicContact CG-CG2 4Å; F299-A423 HydrophobicContact CE2-CB 4.4Å
300V97Very high97Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-116.5125-177.9-172.10000109V267 V304 H305 F308 I395 I396 Y398V267-V300 HydrophobicContact CB-CG1 4.16Å; V267-V300 HydrophobicContact CB-CG2 4.44Å; V267-V300 HydrophobicContact CG2-CG2 4.26Å; V300-V304 HydrophobicContact CG1-CG2 4.02Å; V300-H305 HydrophobicContact CG1-CB 4.24Å; V300-F308 HydrophobicContact CG1-CB 3.95Å; V300-F308 HydrophobicContact CG1-CD1 4.09Å; V300-F308 HydrophobicContact CG1-CG 4.09Å; V300-F308 HydrophobicContact CG2-CD1 3.68Å; V300-F308 HydrophobicContact CG2-CE1 3.78Å; V300-F308 HydrophobicContact CG2-CG 4.35Å; V300-I395 HydrophobicContact CB-CG2 4.31Å; V300-I395 HydrophobicContact CG2-CG2 3.87Å; V300-I396 PolarHBondContact N-O 2.86Å; V300-Y398 VanDerWaalsContact C-CD1 3.46Å; V300-Y398 VanDerWaalsContact C-CE1 3.43Å; V300-Y398 WeakPolarHBondContact O-CD1 3.49Å; V300-Y398 PolarHBondContact O-N 3.24Å; V300-Y398 VanDerWaalsContact O-N 3.16Å
301H94.9Very high97Very high19 Ų1932.6 Ų32.69%0.08816%0.161CC..EExtended strand (participates in β ladder)trans-63.3140.8-178.6-172.4-88.8000110.8V267 P269 D303 V304 H305 Y398V267-H301 WeakPolarHBondContact O-CB 3.43Å; V267-H301 PolarHBondContact O-N 2.95Å; V267-H301 VanDerWaalsContact O-N 3.15Å; P269-H301 HydrophobicContact CG-CB 4.24Å; H301-D303 IonicContact CE1-OD2 2.64Å; H301-D303 PolarHBondContact CE1-OD2 2.92Å; H301-D303 PolarHBondContact ND1-N 3.22Å; H301-D303 IonicContact ND1-OD2 3.86Å; H301-D303 PolarHBondContact O-N 3.26Å; H301-V304 HydrophobicContact CB-CG2 4.15Å; H301-V304 WeakPolarHBondContact O-CG2 3.35Å; H301-V304 PolarHBondContact O-N 3.16Å; H301-H305 PolarHBondContact O-N 2.75Å; H301-Y398 HydrophobicContact CB-CE1 4.01Å; H301-Y398 HydrophobicContact CB-CE2 4.33Å; H301-Y398 AromaticContact CD2-CE2 3.67Å; H301-Y398 AromaticContact CD2-CZ 3.96Å
302K92.9Very high97.1Very high93 Ų9332.6 Ų32.640%0.40416%0.16SC..Hα-helixtrans-47.1-40.5-176.770.8166.9-169.7-1760113.8V304 H305 R397 Y398 L399K302-V304 PolarHBondContact O-N 3.44Å; K302-H305 PolarHBondContact O-N 2.89Å; K302-R397 HydrophobicContact CB-CG 4.48Å; K302-Y398 PolarHBondContact N-O 3.12Å; K302-L399 HydrophobicContact CB-CB 4.17Å; K302-L399 HydrophobicContact CD-CB 3.9Å; K302-L399 HydrophobicContact CD-CD2 3.53Å; K302-L399 HydrophobicContact CD-CG 4.29Å; K302-L399 HydrophobicContact CG-CB 3.83Å; K302-L399 HydrophobicContact CG-CD2 4.04Å
303D94.1Very high97.1Very high109 Ų10934.2 Ų34.258%0.58317%0.166SC*.Hα-helixtrans-69.8-20.8-172.6-65.5-16.4000112.9H301H301-D303 IonicContact CE1-OD2 2.64Å; H301-D303 PolarHBondContact CE1-OD2 2.92Å; H301-D303 PolarHBondContact ND1-N 3.22Å; H301-D303 IonicContact ND1-OD2 3.86Å; H301-D303 PolarHBondContact O-N 3.26Å
304V96.4Very high97.2Very high15 Ų1536.3 Ų36.39%0.09118%0.181CC..Hα-helixtrans-120.62.9-179.1-61.30000112.6V267 L273 V300 H301 K302 F308V267-V304 HydrophobicContact CG1-CG2 4.02Å; L273-V304 HydrophobicContact CD1-CB 4Å; L273-V304 HydrophobicContact CD1-CG1 4.14Å; L273-V304 HydrophobicContact CD2-CB 3.73Å; L273-V304 HydrophobicContact CD2-CG1 4.1Å; L273-V304 HydrophobicContact CD2-CG2 4.07Å; L273-V304 HydrophobicContact CG-CB 4.44Å; V300-V304 HydrophobicContact CG1-CG2 4.02Å; H301-V304 HydrophobicContact CB-CG2 4.15Å; H301-V304 WeakPolarHBondContact O-CG2 3.35Å; H301-V304 PolarHBondContact O-N 3.16Å; K302-V304 PolarHBondContact O-N 3.44Å; V304-F308 WeakPolarHBondContact O-CB 3.22Å; V304-F308 PolarHBondContact O-N 3.25Å
305H96.6Very high97.3Very high1 Ų136.4 Ų36.41%0.00518%0.182CC..Hα-helixtrans-60.5-56.1-172.9175.2-78.2000112.8V300 H301 K302 F308 L309 R397V300-H305 HydrophobicContact CG1-CB 4.24Å; H301-H305 PolarHBondContact O-N 2.75Å; K302-H305 PolarHBondContact O-N 2.89Å; H305-F308 PolarHBondContact O-N 3.3Å; H305-L309 WeakPolarHBondContact O-CB 3.35Å; H305-L309 PolarHBondContact O-N 3.15Å; H305-R397 HydrophobicContact CB-CG 4.06Å; H305-R397 VanDerWaalsContact CD2-CB 3.41Å; H305-R397 WeakPolarHBondContact CD2-CB 3.04Å; H305-R397 PolarHBondContact CE1-NE 2.85Å; H305-R397 PolarHBondContact CE1-NH2 3.1Å; H305-R397 VanDerWaalsContact CE1-NH2 3.28Å; H305-R397 VanDerWaalsContact CG-NE 3.28Å; H305-R397 PolarHBondContact ND1-NE 3.41Å; H305-R397 PolarHBondContact ND1-NH2 3.05Å
306D97.2Very high97.3Very high99 Ų9936.8 Ų36.853%0.52918%0.184SC..Hα-helixtrans-67.9-41.3-172.1-65.5-16.5000110.8L309 E310 R397D306-L309 PolarHBondContact O-N 3.05Å; D306-E310 WeakPolarHBondContact O-CB 3.17Å; D306-E310 PolarHBondContact O-N 2.95Å; D306-R397 IonicContact OD1-CZ 3.42Å; D306-R397 IonicContact OD1-NH2 3.45Å; D306-R397 PolarHBondContact OD1-NH2 3.17Å; D306-R397 IonicContact OD2-NH2 3.73Å
307E98.3Very high97.4Very high93 Ų9342.5 Ų42.544%0.43521%0.21SC..Hα-helixtrans-64.4-42.1174.8177.8170.9-170.400112.2L273 K311L273-E307 HydrophobicContact CD1-CB 4.18Å; L273-E307 HydrophobicContact CD1-CG 3.75Å; E307-K311 HydrophobicContact CG-CD 4.38Å; E307-K311 VanDerWaalsContact CG-CE 3.43Å; E307-K311 WeakPolarHBondContact O-CB 3.41Å; E307-K311 VanDerWaalsContact O-CG 3.3Å; E307-K311 WeakPolarHBondContact O-CG 3.5Å; E307-K311 PolarHBondContact O-N 3.05Å; E307-K311 VanDerWaalsContact O-N 3.12Å; E307-K311 WeakPolarHBondContact OE1-CE 3.49Å; E307-K311 IonicContact OE1-NZ 2.82Å; E307-K311 PolarHBondContact OE1-NZ 3.42Å
308F98.6Very high97.4Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-62.7-44.9175.9175.4-92.9000111.4F265 V267 A276 V277 A280 F298 V300 V304 H305 K311 L312 I395F265-F308 HydrophobicContact CE1-CE2 4.46Å; F265-F308 HydrophobicContact CE1-CZ 4.36Å; V267-F308 HydrophobicContact CG1-CD2 4.49Å; V267-F308 HydrophobicContact CG2-CD2 4.2Å; V267-F308 HydrophobicContact CG2-CE2 3.93Å; V267-F308 HydrophobicContact CG2-CZ 4.3Å; A276-F308 HydrophobicContact CB-CD2 4.33Å; A276-F308 HydrophobicContact CB-CE2 4.07Å; V277-F308 HydrophobicContact CG2-CD2 3.75Å; V277-F308 HydrophobicContact CG2-CE2 3.86Å; A280-F308 HydrophobicContact CB-CE2 4.43Å; A280-F308 HydrophobicContact CB-CZ 3.94Å; F298-F308 HydrophobicContact CD1-CZ 4.41Å; V300-F308 HydrophobicContact CG1-CB 3.95Å; V300-F308 HydrophobicContact CG1-CD1 4.09Å; V300-F308 HydrophobicContact CG1-CG 4.09Å; V300-F308 HydrophobicContact CG2-CD1 3.68Å; V300-F308 HydrophobicContact CG2-CE1 3.78Å; V300-F308 HydrophobicContact CG2-CG 4.35Å; V304-F308 WeakPolarHBondContact O-CB 3.22Å; V304-F308 PolarHBondContact O-N 3.25Å; H305-F308 PolarHBondContact O-N 3.3Å; F308-K311 PolarHBondContact O-N 3.19Å; F308-L312 HydrophobicContact CE1-CB 4.49Å; F308-L312 HydrophobicContact CE1-CD2 3.91Å; F308-L312 HydrophobicContact CZ-CD2 4.21Å; F308-L312 VanDerWaalsContact O-CB 3.29Å; F308-L312 WeakPolarHBondContact O-CB 3.41Å; F308-L312 PolarHBondContact O-N 2.88Å; F308-I395 HydrophobicContact CD1-CD1 4.49Å; F308-I395 HydrophobicContact CE1-CD1 4.19Å
309L98.3Very high97.4Very high20 Ų2054.4 Ų54.411%0.10526%0.259CS..Hα-helixtrans-61.3-48.6-179.5176.961.5000111.6H305 D306 K311 L312 Q313 I359 I373 I395H305-L309 WeakPolarHBondContact O-CB 3.35Å; H305-L309 PolarHBondContact O-N 3.15Å; D306-L309 PolarHBondContact O-N 3.05Å; L309-K311 PolarHBondContact O-N 2.92Å; L309-L312 PolarHBondContact O-N 3.35Å; L309-Q313 WeakPolarHBondContact O-CB 3.49Å; L309-Q313 PolarHBondContact O-N 3.1Å; L309-I359 HydrophobicContact CD1-CG1 4.15Å; L309-I359 HydrophobicContact CD1-CG2 4.47Å; L309-I359 HydrophobicContact CD2-CD1 4.31Å; L309-I359 HydrophobicContact CD2-CG1 4.37Å; L309-I373 HydrophobicContact CD1-CG2 3.68Å; L309-I395 HydrophobicContact CD1-CD1 3.67Å
310E98.4Very high97.4Very high126 Ų12655.6 Ų55.659%0.58927%0.266SS*.Hα-helixtrans-59.8-46.3178.5-175-172.9176.300111.5D306 Q313 S314D306-E310 WeakPolarHBondContact O-CB 3.17Å; D306-E310 PolarHBondContact O-N 2.95Å; E310-Q313 PolarHBondContact O-N 2.85Å; E310-S314 WeakPolarHBondContact O-CB 3.38Å; E310-S314 PolarHBondContact O-N 3.39Å; E310-S314 PolarHBondContact O-OG 2.99Å
311K98.6Very high97.5Very high69 Ų6959 Ų5930%0.329%0.287SS..Hα-helixtrans-66.8-37.9178.6-70.5-170.1-154.5-410112.6V277 E307 F308 L309 A315V277-K311 HydrophobicContact CG2-CB 3.75Å; E307-K311 HydrophobicContact CG-CD 4.38Å; E307-K311 VanDerWaalsContact CG-CE 3.43Å; E307-K311 WeakPolarHBondContact O-CB 3.41Å; E307-K311 VanDerWaalsContact O-CG 3.3Å; E307-K311 WeakPolarHBondContact O-CG 3.5Å; E307-K311 PolarHBondContact O-N 3.05Å; E307-K311 VanDerWaalsContact O-N 3.12Å; E307-K311 WeakPolarHBondContact OE1-CE 3.49Å; E307-K311 IonicContact OE1-NZ 2.82Å; E307-K311 PolarHBondContact OE1-NZ 3.42Å; F308-K311 PolarHBondContact O-N 3.19Å; L309-K311 PolarHBondContact O-N 2.92Å; K311-A315 WeakPolarHBondContact O-CB 3.28Å; K311-A315 PolarHBondContact O-N 3.32Å
312L98.7Very high97.7Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-67-45.8177.3-177.664.1000111.1V277 A280 M281 F308 L309 S314 A315 V316 I373 V393 I395V277-L312 HydrophobicContact CG1-CD1 4.29Å; A280-L312 HydrophobicContact CB-CD1 3.94Å; M281-L312 HydrophobicContact CG-CD1 4.14Å; M281-L312 HydrophobicContact SD-CD1 3.81Å; F308-L312 HydrophobicContact CE1-CB 4.49Å; F308-L312 HydrophobicContact CE1-CD2 3.91Å; F308-L312 HydrophobicContact CZ-CD2 4.21Å; F308-L312 VanDerWaalsContact O-CB 3.29Å; F308-L312 WeakPolarHBondContact O-CB 3.41Å; F308-L312 PolarHBondContact O-N 2.88Å; L309-L312 PolarHBondContact O-N 3.35Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 2.81Å; L312-A315 PolarHBondContact O-N 2.86Å; L312-V316 WeakPolarHBondContact O-CG2 3.44Å; L312-V316 PolarHBondContact O-N 3.25Å; L312-I373 HydrophobicContact CB-CD1 4.45Å; L312-I373 HydrophobicContact CD2-CD1 4.09Å; L312-I373 HydrophobicContact CD2-CG1 4.47Å; L312-I373 HydrophobicContact CG-CD1 3.84Å; L312-V393 HydrophobicContact CD2-CG1 3.86Å; L312-V393 HydrophobicContact CD2-CG2 4.45Å; L312-I395 HydrophobicContact CD2-CD1 4.07Å
313Q98.5Very high97.9Very high56 Ų5657.4 Ų57.426%0.26229%0.286SS..Hα-helixtrans-55.9-50174.4177.9-177.1-0.400110.8L309 E310 A315 V316 E317 I359 I373L309-Q313 WeakPolarHBondContact O-CB 3.49Å; L309-Q313 PolarHBondContact O-N 3.1Å; E310-Q313 PolarHBondContact O-N 2.85Å; Q313-A315 VanDerWaalsContact C-N 3.26Å; Q313-A315 PolarHBondContact O-N 2.95Å; Q313-V316 PolarHBondContact O-N 3.1Å; Q313-V316 VanDerWaalsContact O-N 3.16Å; Q313-E317 HydrophobicContact CG-CG 4.46Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.26Å; Q313-E317 PolarHBondContact NE2-OE1 2.67Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 2.94Å; Q313-I359 HydrophobicContact CB-CG2 4.22Å; Q313-I359 HydrophobicContact CG-CG2 4.03Å; Q313-I373 HydrophobicContact CB-CD1 4.21Å
314S98.5Very high98.1Very high51 Ų5154.1 Ų54.136%0.35727%0.269SS..Hα-helixtrans-60.5-35.1179.3-61.40000112.8E310 L312 R318E310-S314 WeakPolarHBondContact O-CB 3.38Å; E310-S314 PolarHBondContact O-N 3.39Å; E310-S314 PolarHBondContact O-OG 2.99Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 2.81Å; S314-R318 WeakPolarHBondContact O-CB 3.4Å; S314-R318 PolarHBondContact O-N 3.37Å; S314-R318 PolarHBondContact O-NH1 3.15Å
315A98.6Very high98.2Very high2 Ų253.5 Ų53.52%0.01727%0.265CS..Hα-helixtrans-71.6-43175.700000111.8V277 M281 K311 L312 Q313 R318 E319V277-A315 HydrophobicContact CG1-CB 3.95Å; M281-A315 HydrophobicContact CE-CB 4.13Å; M281-A315 HydrophobicContact CG-CB 4.08Å; M281-A315 HydrophobicContact SD-CB 3.9Å; K311-A315 WeakPolarHBondContact O-CB 3.28Å; K311-A315 PolarHBondContact O-N 3.32Å; L312-A315 PolarHBondContact O-N 2.86Å; Q313-A315 VanDerWaalsContact C-N 3.26Å; Q313-A315 PolarHBondContact O-N 2.95Å; A315-R318 PolarHBondContact O-N 2.97Å; A315-E319 VanDerWaalsContact O-CB 3.31Å; A315-E319 WeakPolarHBondContact O-CB 3.37Å; A315-E319 PolarHBondContact O-N 2.85Å
316V98.6Very high98.3Very high8 Ų856.1 Ų56.15%0.04828%0.279CS..Hα-helixtrans-58.2-51175.8162.70000111.2M281 F285 L312 Q313 R318 L320 P371 I373M281-V316 HydrophobicContact CE-CG2 4.32Å; M281-V316 HydrophobicContact SD-CG2 3.69Å; F285-V316 HydrophobicContact CD2-CG2 4.47Å; F285-V316 HydrophobicContact CE2-CG2 3.53Å; F285-V316 HydrophobicContact CZ-CG2 3.65Å; L312-V316 WeakPolarHBondContact O-CG2 3.44Å; L312-V316 PolarHBondContact O-N 3.25Å; Q313-V316 PolarHBondContact O-N 3.1Å; Q313-V316 VanDerWaalsContact O-N 3.16Å; V316-R318 VanDerWaalsContact C-N 3.29Å; V316-R318 PolarHBondContact O-N 3.47Å; V316-L320 HydrophobicContact CB-CD1 4.28Å; V316-L320 HydrophobicContact CG1-CD1 4.12Å; V316-L320 HydrophobicContact CG2-CD1 3.96Å; V316-L320 WeakPolarHBondContact O-CB 3.45Å; V316-L320 PolarHBondContact O-N 3.39Å; V316-L320 VanDerWaalsContact O-N 3.1Å; V316-P371 HydrophobicContact CG1-CB 3.8Å; V316-I373 HydrophobicContact CB-CD1 4.35Å; V316-I373 HydrophobicContact CG2-CD1 3.96Å; V316-I373 HydrophobicContact CG2-CG1 4.44Å
317E98Very high98.3Very high120 Ų12055.8 Ų55.856%0.56128%0.277SS*.Hα-helixtrans-65.6-31.7-177.7-70.5172.7-178.400112.9Q313Q313-E317 HydrophobicContact CG-CG 4.46Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.26Å; Q313-E317 PolarHBondContact NE2-OE1 2.67Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 2.94Å
318R97.7Very high98.3Very high163 Ų16361.4 Ų61.462%0.61530%0.3SS*.Hα-helixtrans-83.9-38-177.8-177.7-179.461.9-107.9-2.8113.5S314 A315 V316S314-R318 WeakPolarHBondContact O-CB 3.4Å; S314-R318 PolarHBondContact O-N 3.37Å; S314-R318 PolarHBondContact O-NH1 3.15Å; A315-R318 PolarHBondContact O-N 2.97Å; V316-R318 VanDerWaalsContact C-N 3.29Å; V316-R318 PolarHBondContact O-N 3.47Å
319E98Very high98.3Very high91 Ų9164.3 Ų64.343%0.42533%0.33SS..Hα-helixtrans-107.2-20.6-165.4-61.7175.4-154.100113.5M281 A315 T331M281-E319 HydrophobicContact CE-CB 4.17Å; A315-E319 VanDerWaalsContact O-CB 3.31Å; A315-E319 WeakPolarHBondContact O-CB 3.37Å; A315-E319 PolarHBondContact O-N 2.85Å; E319-T331 PolarHBondContact O-OG1 2.76Å
320L98.4Very high98.3Very high32 Ų3264.2 Ų64.217%0.16833%0.33CS..  trans-100.3114.4-174-54-175.6000112.2M281 F285 V316 T331 Q332 P371M281-L320 HydrophobicContact CE-CD1 3.95Å; M281-L320 HydrophobicContact CE-CD2 3.84Å; M281-L320 HydrophobicContact CE-CG 3.76Å; F285-L320 HydrophobicContact CB-CD1 3.97Å; F285-L320 HydrophobicContact CB-CD2 4.19Å; F285-L320 HydrophobicContact CD1-CD1 3.69Å; F285-L320 HydrophobicContact CD2-CD1 3.53Å; F285-L320 HydrophobicContact CE1-CD1 4.01Å; F285-L320 HydrophobicContact CE2-CD1 3.86Å; F285-L320 HydrophobicContact CG-CD1 3.44Å; F285-L320 VanDerWaalsContact CG-CD1 3.44Å; F285-L320 HydrophobicContact CZ-CD1 4.08Å; V316-L320 HydrophobicContact CB-CD1 4.28Å; V316-L320 HydrophobicContact CG1-CD1 4.12Å; V316-L320 HydrophobicContact CG2-CD1 3.96Å; V316-L320 WeakPolarHBondContact O-CB 3.45Å; V316-L320 PolarHBondContact O-N 3.39Å; V316-L320 VanDerWaalsContact O-N 3.1Å; L320-T331 VanDerWaalsContact CA-OG1 3.26Å; L320-T331 WeakPolarHBondContact CA-OG1 3.47Å; L320-Q332 HydrophobicContact CB-CG 4.02Å; L320-Q332 HydrophobicContact CD2-CG 4.15Å; L320-Q332 HydrophobicContact CG-CG 4.46Å; L320-P371 HydrophobicContact CB-CG 3.85Å; L320-P371 HydrophobicContact CD1-CB 3.61Å; L320-P371 HydrophobicContact CD1-CG 3.56Å; L320-P371 HydrophobicContact CG-CG 4.35Å
321V98.2Very high98.3Very high72 Ų7260.7 Ų60.744%0.43632%0.317SS..  trans-118.8114.1179.3-178.50000108.1G329 T331 Q332V321-G329 WeakPolarHBondContact CB-O 3.49Å; V321-T331 PolarHBondContact N-OG1 3.15Å; V321-T331 PolarHBondContact O-N 3.34Å; V321-Q332 PolarHBondContact O-N 2.87Å
322L98.2Very high98.3Very high64 Ų6457.6 Ų57.634%0.33530%0.304SS..BIsolated β-bridgetrans-84.3133.6-179.4-171.165.7000110.7Q332 F368 P370L322-Q332 WeakPolarHBondContact CA-O 3.31Å; L322-Q332 HydrophobicContact CD1-CB 3.87Å; L322-F368 HydrophobicContact CD1-CB 4.23Å; L322-F368 HydrophobicContact CD1-CD1 4.02Å; L322-F368 HydrophobicContact CD2-CB 3.76Å; L322-F368 HydrophobicContact CG-CB 4.01Å; L322-F368 HydrophobicContact CG-CD1 4.06Å; L322-F368 HydrophobicContact CG-CG 4.43Å; L322-P370 HydrophobicContact CD2-CB 4.3Å
323G98.3Very high98.3Very high15 Ų1557.7 Ų57.716%0.15531%0.305CS..SBendtrans172.4-170.4177.600000113.2G325 V330 Q332 F368G323-G325 PolarHBondContact O-N 3.11Å; G323-V330 WeakPolarHBondContact O-CG1 3.43Å; G323-Q332 PolarHBondContact N-O 3.19Å; G323-F368 VanDerWaalsContact C-CE1 3.46Å; G323-F368 VanDerWaalsContact O-CE1 3.27Å; G323-F368 WeakPolarHBondContact O-CE1 3.49Å
324N98.4Very high98.3Very high40 Ų4055 Ų5521%0.21429%0.292CS..  trans-64.6127.9175.5-176.6-22.6000109.6A29 L326 D327A29-N324 HydrophobicContact CB-CB 4.28Å; N324-L326 PolarHBondContact O-N 3.29Å; N324-L326 PolarHBondContact OD1-N 3.44Å; N324-L326 VanDerWaalsContact OD1-N 3.12Å; N324-D327 WeakPolarHBondContact CB-OD2 3.49Å; N324-D327 WeakPolarHBondContact O-CB 2.97Å; N324-D327 PolarHBondContact O-N 3.13Å
325G98.3Very high98.3Very high2 Ų252.6 Ų52.62%0.02128%0.276CS..THydrogen-bonded Turntrans-59.8-16.6-176.600000115.2L102 G323L102-G325 PolarHBondContact N-O 3.46Å; G323-G325 PolarHBondContact O-N 3.11Å
326L98.2Very high98.3Very high55 Ų5553 Ų5329%0.28828%0.277SS..THydrogen-bonded Turntrans-82.7-17.4173.9-66.3177000113.9T95 R96 N324T95-L326 HydrophobicContact CG2-CD2 3.51Å; T95-L326 HydrophobicContact CG2-CG 3.66Å; R96-L326 HydrophobicContact CG-CD1 3.9Å; N324-L326 PolarHBondContact O-N 3.29Å; N324-L326 PolarHBondContact OD1-N 3.44Å; N324-L326 VanDerWaalsContact OD1-N 3.12Å
327D98.4Very high98.3Very high92 Ų9254.6 Ų54.649%0.49229%0.285SS..SBendtrans-78.3141.3-177-66.8-21.3000111N324 G329 V330N324-D327 WeakPolarHBondContact CB-OD2 3.49Å; N324-D327 WeakPolarHBondContact O-CB 2.97Å; N324-D327 PolarHBondContact O-N 3.13Å; D327-G329 PolarHBondContact O-N 3.2Å; D327-V330 HydrophobicContact CB-CG2 3.82Å; D327-V330 PolarHBondContact O-N 3.35Å
328K97.6Very high98.3Very high211 Ų21151.9 Ų51.992%0.91728%0.284SS*.THydrogen-bonded Turntrans-65.7135.6-179.9-67.5-176.9-178.7177.80110.5V330K328-V330 PolarHBondContact O-N 3.15Å
329G97.7Very high98.3Very high61 Ų6152 Ų5263%0.62928%0.284SS*.THydrogen-bonded Turntrans83.7-9.4176.700000114.6V321 D327 T331V321-G329 WeakPolarHBondContact CB-O 3.49Å; D327-G329 PolarHBondContact O-N 3.2Å; G329-T331 PolarHBondContact O-N 3.48Å
330V98.5Very high98.3Very high18 Ų1848.5 Ų48.511%0.10927%0.27CS..  trans-67.2131.5169.3172.60000109.2T101 G323 D327 K328 Q332T101-V330 HydrophobicContact CG2-CG1 4.07Å; G323-V330 WeakPolarHBondContact O-CG1 3.43Å; D327-V330 HydrophobicContact CB-CG2 3.82Å; D327-V330 PolarHBondContact O-N 3.35Å; K328-V330 PolarHBondContact O-N 3.15Å; V330-Q332 VanDerWaalsContact CG1-O 3.26Å; V330-Q332 WeakPolarHBondContact CG1-O 3.08Å
331T98.3Very high98.3Very high52 Ų5247.6 Ų47.632%0.31927%0.266SS..  trans-117.7-9.2177.261.40000112.6T101 E319 L320 V321 G329T101-T331 VanDerWaalsContact CG2-C 3.47Å; E319-T331 PolarHBondContact O-OG1 2.76Å; L320-T331 VanDerWaalsContact CA-OG1 3.26Å; L320-T331 WeakPolarHBondContact CA-OG1 3.47Å; V321-T331 PolarHBondContact N-OG1 3.15Å; V321-T331 PolarHBondContact O-N 3.34Å; G329-T331 PolarHBondContact O-N 3.48Å
332Q98.7Very high98.3Very high5 Ų549.2 Ų49.22%0.02327%0.269CS..BIsolated β-bridgetrans-131.6123.1176-63.3-64.4-63.800110.6F285 S288 L320 V321 L322 G323 V330 P371F285-Q332 PolarHBondContact O-NE2 3.34Å; F285-Q332 PolarHBondContact O-OE1 3.43Å; F285-Q332 VanDerWaalsContact O-OE1 3.12Å; S288-Q332 VanDerWaalsContact CA-OE1 3.29Å; S288-Q332 PolarHBondContact OG-OE1 2.69Å; S288-Q332 VanDerWaalsContact OG-OE1 3.13Å; L320-Q332 HydrophobicContact CB-CG 4.02Å; L320-Q332 HydrophobicContact CD2-CG 4.15Å; L320-Q332 HydrophobicContact CG-CG 4.46Å; V321-Q332 PolarHBondContact O-N 2.87Å; L322-Q332 WeakPolarHBondContact CA-O 3.31Å; L322-Q332 HydrophobicContact CD1-CB 3.87Å; G323-Q332 PolarHBondContact N-O 3.19Å; V330-Q332 VanDerWaalsContact CG1-O 3.26Å; V330-Q332 WeakPolarHBondContact CG1-O 3.08Å; Q332-P371 HydrophobicContact CG-CG 3.97Å
333G98.6Very high98.3Very high1 Ų150.2 Ų50.21%0.0127%0.271CS..  trans-87.3-17817600000113.2S288S288-G333 PolarHBondContact OG-N 3.4Å; S288-G333 PolarHBondContact OG-O 2.9Å; S288-G333 VanDerWaalsContact OG-O 3.13Å
334P98.7Very high98.3Very high0 Ų049.6 Ų49.60%026%0.264CS..  trans-69.7162169.234.3-38000111.6P28 A29 G99 Q290 N367 F368P28-P334 HydrophobicContact CB-CB 4.32Å; P28-P334 HydrophobicContact CB-CG 3.8Å; A29-P334 HydrophobicContact CB-CG 4.22Å; G99-P334 WeakPolarHBondContact O-CD 3.22Å; Q290-P334 PolarHBondContact NE2-O 3.17Å; P334-N367 WeakPolarHBondContact CA-O 3.45Å; P334-N367 HydrophobicContact CB-CB 3.81Å; P334-F368 HydrophobicContact CB-CD1 3.86Å; P334-F368 HydrophobicContact CB-CE1 3.71Å; P334-F368 HydrophobicContact CB-CG 4.4Å; P334-F368 HydrophobicContact CB-CZ 4.16Å; P334-F368 HydrophobicContact CG-CE1 4.08Å; P334-F368 HydrophobicContact CG-CZ 4.48Å
335L98.8Very high98.3Very high1 Ų151.1 Ų51.11%0.00527%0.269CS..  trans-70.1155.6159.1-58.3-176000110.2Q290 N337 A340 V341 V344 N367 F369Q290-L335 HydrophobicContact CG-CD2 3.75Å; Q290-L335 VanDerWaalsContact OE1-CA 3.3Å; L335-N337 PolarHBondContact O-N 3.39Å; L335-N337 VanDerWaalsContact O-N 3.13Å; L335-A340 HydrophobicContact CB-CB 4.1Å; L335-A340 HydrophobicContact CD1-CB 4.4Å; L335-V341 HydrophobicContact CB-CG2 4.21Å; L335-V341 HydrophobicContact CD1-CG2 4.07Å; L335-V344 HydrophobicContact CD1-CB 4.45Å; L335-V344 HydrophobicContact CD1-CG2 4.03Å; L335-N367 PolarHBondContact N-O 3.27Å; L335-F369 HydrophobicContact CD1-CB 3.78Å; L335-F369 HydrophobicContact CD1-CD2 4.25Å; L335-F369 HydrophobicContact CD1-CG 4.32Å; L335-F369 HydrophobicContact CG-CB 4.06Å
336I98.6Very high98.3Very high9 Ų955.3 Ų55.35%0.04629%0.287CS..SBendtrans-57.8-33.3-171-169.363.4000113.8P28 Q98 W156 D184 T185 A340P28-I336 WeakPolarHBondContact CB-O 3.34Å; P28-I336 HydrophobicContact CG-CD1 3.97Å; P28-I336 WeakPolarHBondContact CG-O 3.43Å; Q98-I336 HydrophobicContact CG-CD1 4.3Å; W156-I336 HydrophobicContact CD2-CB 4.09Å; W156-I336 HydrophobicContact CD2-CD1 4.37Å; W156-I336 HydrophobicContact CD2-CG1 3.82Å; W156-I336 HydrophobicContact CD2-CG2 4.08Å; W156-I336 HydrophobicContact CE3-CB 3.68Å; W156-I336 HydrophobicContact CE3-CD1 3.87Å; W156-I336 HydrophobicContact CE3-CG1 3.65Å; W156-I336 HydrophobicContact CE3-CG2 4.06Å; W156-I336 HydrophobicContact CG-CG1 4.22Å; W156-I336 HydrophobicContact CH2-CB 3.86Å; W156-I336 HydrophobicContact CH2-CG2 3.55Å; W156-I336 HydrophobicContact CZ2-CB 4.27Å; W156-I336 HydrophobicContact CZ2-CG2 3.58Å; W156-I336 HydrophobicContact CZ3-CB 3.58Å; W156-I336 HydrophobicContact CZ3-CD1 4.46Å; W156-I336 HydrophobicContact CZ3-CG1 4.11Å; W156-I336 HydrophobicContact CZ3-CG2 3.83Å; D184-I336 HydrophobicContact CB-CD1 3.9Å; D184-I336 HydrophobicContact CB-CG1 3.75Å; T185-I336 HydrophobicContact CG2-CD1 4.05Å; I336-A340 HydrophobicContact CG2-CB 4.03Å
337N98.2Very high98.4Very high42 Ų4252.8 Ų52.823%0.22527%0.274CS..SBendtrans-165.1172.4177.856.248.6000112.2D184 L335 R339 A340 V341D184-N337 PolarHBondContact OD1-ND2 3.44Å; L335-N337 PolarHBondContact O-N 3.39Å; L335-N337 VanDerWaalsContact O-N 3.13Å; N337-R339 PolarHBondContact O-N 3.07Å; N337-R339 WeakPolarHBondContact OD1-CB 3.34Å; N337-R339 PolarHBondContact OD1-N 2.84Å; N337-A340 WeakPolarHBondContact O-CB 3.28Å; N337-A340 PolarHBondContact O-N 3.4Å; N337-A340 PolarHBondContact OD1-N 2.85Å; N337-A340 VanDerWaalsContact OD1-N 3.13Å; N337-V341 PolarHBondContact O-N 2.9Å
338A98Very high98.4Very high64 Ų6448.7 Ų48.753%0.52925%0.252SS..Hα-helixtrans-59.4-28.7-179.300000114A340 V341 E342 N367A338-A340 VanDerWaalsContact C-N 3.34Å; A338-V341 WeakPolarHBondContact O-CB 3.48Å; A338-V341 PolarHBondContact O-N 3.2Å; A338-E342 PolarHBondContact O-N 3.42Å; A338-N367 WeakPolarHBondContact CA-OD1 3.28Å; A338-N367 PolarHBondContact N-OD1 3.15Å; A338-N367 VanDerWaalsContact N-OD1 3.11Å
339R98Very high98.4Very high166 Ų16643.3 Ų43.363%0.62623%0.231SC*.Hα-helixtrans-66.9-38.4176.3-173.8-172.8-63.8168.51.2111.1N337 K343N337-R339 PolarHBondContact O-N 3.07Å; N337-R339 WeakPolarHBondContact OD1-CB 3.34Å; N337-R339 PolarHBondContact OD1-N 2.84Å; R339-K343 PolarHBondContact O-N 3.4Å; R339-K343 VanDerWaalsContact O-N 3.09Å
340A98.3Very high98.4Very high16 Ų1641.7 Ų41.713%0.13221%0.208CC..Hα-helixtrans-64.7-42.2174.800000111.1L335 I336 N337 A338 K343 V344L335-A340 HydrophobicContact CB-CB 4.1Å; L335-A340 HydrophobicContact CD1-CB 4.4Å; I336-A340 HydrophobicContact CG2-CB 4.03Å; N337-A340 WeakPolarHBondContact O-CB 3.28Å; N337-A340 PolarHBondContact O-N 3.4Å; N337-A340 PolarHBondContact OD1-N 2.85Å; N337-A340 VanDerWaalsContact OD1-N 3.13Å; A338-A340 VanDerWaalsContact C-N 3.34Å; A340-K343 PolarHBondContact O-N 2.92Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 3.46Å
341V98.7Very high98.4Very high13 Ų1340.8 Ų40.88%0.07920%0.202CC..Hα-helixtrans-58.4-50.1174.9-179.40000111.5L335 N337 A338 K343 V344 K345 P364 N367 F369L335-V341 HydrophobicContact CB-CG2 4.21Å; L335-V341 HydrophobicContact CD1-CG2 4.07Å; N337-V341 PolarHBondContact O-N 2.9Å; A338-V341 WeakPolarHBondContact O-CB 3.48Å; A338-V341 PolarHBondContact O-N 3.2Å; V341-K343 VanDerWaalsContact C-N 3.31Å; V341-K343 PolarHBondContact O-N 2.89Å; V341-V344 PolarHBondContact O-N 2.96Å; V341-K345 VanDerWaalsContact O-CB 3.28Å; V341-K345 WeakPolarHBondContact O-CB 3.02Å; V341-K345 PolarHBondContact O-N 3.28Å; V341-P364 HydrophobicContact CG1-CB 3.78Å; V341-P364 HydrophobicContact CG1-CG 4.03Å; V341-N367 HydrophobicContact CG2-CB 4.43Å; V341-F369 HydrophobicContact CG1-CD2 4.22Å
342E98.5Very high98.4Very high106 Ų10641.3 Ų41.350%0.49521%0.205SC..Hα-helixtrans-61.9-41.2-177.8-171.957.5-152.300111.5A338 K345 H346A338-E342 PolarHBondContact O-N 3.42Å; E342-K345 PolarHBondContact O-N 3.2Å; E342-H346 WeakPolarHBondContact O-CB 3.47Å; E342-H346 PolarHBondContact O-N 3.5Å
343K98.2Very high98.4Very high86 Ų8645.6 Ų45.637%0.37424%0.236SC..Hα-helixtrans-57.9-50.9173.6179.6-168.3170.3-163.40111.6R339 A340 V341 K345 H346 L347 E387 I388R339-K343 PolarHBondContact O-N 3.4Å; R339-K343 VanDerWaalsContact O-N 3.09Å; A340-K343 PolarHBondContact O-N 2.92Å; V341-K343 VanDerWaalsContact C-N 3.31Å; V341-K343 PolarHBondContact O-N 2.89Å; K343-K345 VanDerWaalsContact C-N 3.35Å; K343-H346 PolarHBondContact O-N 3.14Å; K343-L347 WeakPolarHBondContact O-CG 3.16Å; K343-L347 PolarHBondContact O-N 3.35Å; K343-L347 VanDerWaalsContact O-N 3.15Å; K343-E387 VanDerWaalsContact CE-O 3.27Å; K343-E387 WeakPolarHBondContact CE-O 3.41Å; K343-E387 PolarHBondContact NZ-O 2.88Å; K343-I388 PolarHBondContact NZ-O 2.86Å
344V98.6Very high98.3Very high1 Ų150.2 Ų50.21%0.00626%0.256CS..Hα-helixtrans-66.3-41.1-177.2179.10000110.6L335 A340 V341 L347 V348 F369 I388 V392L335-V344 HydrophobicContact CD1-CB 4.45Å; L335-V344 HydrophobicContact CD1-CG2 4.03Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 3.46Å; V341-V344 PolarHBondContact O-N 2.96Å; V344-L347 PolarHBondContact O-N 3.27Å; V344-V348 WeakPolarHBondContact O-CG2 3.24Å; V344-V348 PolarHBondContact O-N 3.43Å; V344-V348 VanDerWaalsContact O-N 3.1Å; V344-F369 HydrophobicContact CB-CD2 4Å; V344-F369 HydrophobicContact CB-CE2 3.83Å; V344-F369 HydrophobicContact CB-CZ 4.34Å; V344-F369 HydrophobicContact CG1-CD1 4.11Å; V344-F369 HydrophobicContact CG1-CD2 3.82Å; V344-F369 HydrophobicContact CG1-CE1 3.85Å; V344-F369 HydrophobicContact CG1-CE2 3.55Å; V344-F369 HydrophobicContact CG1-CG 4.12Å; V344-F369 HydrophobicContact CG1-CZ 3.58Å; V344-I388 HydrophobicContact CG1-CG2 4.34Å; V344-I388 HydrophobicContact CG2-CG2 4.41Å; V344-V392 HydrophobicContact CG1-CG2 3.53Å
345K98.3Very high98.3Very high72 Ų7252.4 Ų52.431%0.31328%0.278SS..Hα-helixtrans-58.5-48.7175.7-178.6-176.3165.3-1640111.2V341 E342 K343 L347 V348 E349 P364 F369V341-K345 VanDerWaalsContact O-CB 3.28Å; V341-K345 WeakPolarHBondContact O-CB 3.02Å; V341-K345 PolarHBondContact O-N 3.28Å; E342-K345 PolarHBondContact O-N 3.2Å; K343-K345 VanDerWaalsContact C-N 3.35Å; K345-L347 VanDerWaalsContact C-N 3.34Å; K345-L347 PolarHBondContact O-N 3.47Å; K345-V348 PolarHBondContact O-N 3.46Å; K345-V348 VanDerWaalsContact O-N 3.17Å; K345-E349 WeakPolarHBondContact CE-OE1 3.47Å; K345-E349 HydrophobicContact CG-CG 4.4Å; K345-E349 IonicContact NZ-OE1 3.22Å; K345-E349 WeakPolarHBondContact O-CG 3.12Å; K345-E349 PolarHBondContact O-N 3.02Å; K345-P364 HydrophobicContact CD-CG 4.5Å; K345-F369 HydrophobicContact CB-CE2 4.1Å
346H98.3Very high98.2Very high90 Ų9052.6 Ų52.642%0.41728%0.28SS..Hα-helixtrans-56.9-45.1177.5177.568.6000112.5E342 K343 V348 E349 D350 E382E342-H346 WeakPolarHBondContact O-CB 3.47Å; E342-H346 PolarHBondContact O-N 3.5Å; K343-H346 PolarHBondContact O-N 3.14Å; H346-V348 VanDerWaalsContact C-N 3.33Å; H346-V348 PolarHBondContact O-N 3.17Å; H346-E349 PolarHBondContact O-N 3.16Å; H346-D350 WeakPolarHBondContact O-CB 3.33Å; H346-D350 PolarHBondContact O-N 2.71Å; H346-E382 IonicContact CD2-OE1 2.7Å; H346-E382 IonicContact NE2-OE2 2.74Å
347L98.5Very high98.2Very high2 Ų257.9 Ų57.91%0.0130%0.303CS..Hα-helixtrans-63.5-37.6178.2-67.8174.3000112.8K343 V344 K345 A351 E382 I383 I388K343-L347 WeakPolarHBondContact O-CG 3.16Å; K343-L347 PolarHBondContact O-N 3.35Å; K343-L347 VanDerWaalsContact O-N 3.15Å; V344-L347 PolarHBondContact O-N 3.27Å; K345-L347 VanDerWaalsContact C-N 3.34Å; K345-L347 PolarHBondContact O-N 3.47Å; L347-A351 WeakPolarHBondContact O-CB 3.5Å; L347-A351 PolarHBondContact O-N 3.32Å; L347-A351 VanDerWaalsContact O-N 3.17Å; L347-E382 HydrophobicContact CD2-CB 4.1Å; L347-E382 HydrophobicContact CD2-CG 3.62Å; L347-E382 WeakPolarHBondContact CD2-OE1 3.38Å; L347-I383 HydrophobicContact CB-CB 4.29Å; L347-I383 HydrophobicContact CB-CD1 4.34Å; L347-I383 HydrophobicContact CB-CG1 4.1Å; L347-I388 HydrophobicContact CD1-CB 4.41Å; L347-I388 HydrophobicContact CD1-CG1 4.38Å; L347-I388 HydrophobicContact CD1-CG2 4.31Å
348V98.6Very high98.2Very high6 Ų659.6 Ų59.64%0.03631%0.311CS..Hα-helixtrans-68.5-45.9176171.90000110.7V344 K345 H346 A351 V352 I358 F369 L374 I383 V392V344-V348 WeakPolarHBondContact O-CG2 3.24Å; V344-V348 PolarHBondContact O-N 3.43Å; V344-V348 VanDerWaalsContact O-N 3.1Å; K345-V348 PolarHBondContact O-N 3.46Å; K345-V348 VanDerWaalsContact O-N 3.17Å; H346-V348 VanDerWaalsContact C-N 3.33Å; H346-V348 PolarHBondContact O-N 3.17Å; V348-A351 PolarHBondContact O-N 3.28Å; V348-V352 HydrophobicContact CG1-CG2 4.45Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.16Å; V348-I358 HydrophobicContact CG1-CD1 4.31Å; V348-F369 HydrophobicContact CG2-CZ 4.17Å; V348-L374 HydrophobicContact CG1-CD2 4.4Å; V348-I383 HydrophobicContact CG2-CD1 4.49Å; V348-V392 HydrophobicContact CG2-CG1 4.02Å; V348-V392 HydrophobicContact CG2-CG2 3.84Å
349E98.2Very high98.2Very high99 Ų9959 Ų5946%0.46330%0.298SS..Hα-helixtrans-63.4-41.6178.6-71.8174.5165.800112.1K345 H346 V352 S353K345-E349 WeakPolarHBondContact CE-OE1 3.47Å; K345-E349 HydrophobicContact CG-CG 4.4Å; K345-E349 IonicContact NZ-OE1 3.22Å; K345-E349 WeakPolarHBondContact O-CG 3.12Å; K345-E349 PolarHBondContact O-N 3.02Å; H346-E349 PolarHBondContact O-N 3.16Å; E349-V352 PolarHBondContact O-N 3.17Å; E349-S353 WeakPolarHBondContact O-CB 3.26Å; E349-S353 PolarHBondContact O-N 3.32Å
350D98.3Very high98.2Very high26 Ų2652 Ų5214%0.13928%0.275CS..Hα-helixtrans-57.2-51173178.2-91.9000111H346 V352 S353 K354 E382H346-D350 WeakPolarHBondContact O-CB 3.33Å; H346-D350 PolarHBondContact O-N 2.71Å; D350-V352 PolarHBondContact O-N 3.41Å; D350-S353 PolarHBondContact O-N 2.89Å; D350-S353 PolarHBondContact O-OG 3.26Å; D350-K354 WeakPolarHBondContact O-CG 3.24Å; D350-K354 PolarHBondContact O-N 2.89Å; D350-K354 VanDerWaalsContact O-N 3.14Å; D350-K354 IonicContact OD1-NZ 3.2Å; D350-K354 PolarHBondContact OD1-NZ 3.47Å; D350-K354 VanDerWaalsContact OD2-CE 3.26Å; D350-K354 WeakPolarHBondContact OD2-CE 3.49Å; D350-K354 IonicContact OD2-NZ 3.36Å; D350-K354 PolarHBondContact OD2-NZ 3.33Å; D350-E382 PolarHBondContact OD1-N 3.1Å
351A98.3Very high98.2Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-60.4-45-179.600000111.9L347 V348 K354 G355 A356 L374 M381 I383L347-A351 WeakPolarHBondContact O-CB 3.5Å; L347-A351 PolarHBondContact O-N 3.32Å; L347-A351 VanDerWaalsContact O-N 3.17Å; V348-A351 PolarHBondContact O-N 3.28Å; A351-K354 CarbonylContact O-C 3.5Å; A351-K354 PolarHBondContact O-N 3.16Å; A351-K354 VanDerWaalsContact O-N 3.16Å; A351-G355 PolarHBondContact O-N 2.87Å; A351-A356 HydrophobicContact CB-CB 3.91Å; A351-A356 VanDerWaalsContact O-CB 3.24Å; A351-A356 WeakPolarHBondContact O-CB 3.48Å; A351-A356 PolarHBondContact O-N 3.4Å; A351-L374 HydrophobicContact CB-CD1 3.91Å; A351-M381 HydrophobicContact CB-SD 3.98Å; A351-I383 HydrophobicContact CB-CB 4.48Å; A351-I383 HydrophobicContact CB-CG2 3.93Å
352V98.3Very high97.9Very high62 Ų6253.2 Ų53.238%0.37629%0.291SS..Hα-helixtrans-64.5-41.7178.1172.40000111.4V348 E349 D350 K354 G355 A356 I358V348-V352 HydrophobicContact CG1-CG2 4.45Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.16Å; E349-V352 PolarHBondContact O-N 3.17Å; D350-V352 PolarHBondContact O-N 3.41Å; V352-K354 PolarHBondContact O-N 3.06Å; V352-K354 VanDerWaalsContact O-N 3.17Å; V352-G355 PolarHBondContact O-N 3.1Å; V352-A356 WeakPolarHBondContact CA-O 3.17Å; V352-I358 HydrophobicContact CG2-CD1 3.98Å; V352-I358 HydrophobicContact CG2-CG1 3.8Å
353S98Very high97.8Very high96 Ų9657 Ų5767%0.67131%0.306SS*.Hα-helixtrans-61.3-24.5176.279.10000113.1E349 D350E349-S353 WeakPolarHBondContact O-CB 3.26Å; E349-S353 PolarHBondContact O-N 3.32Å; D350-S353 PolarHBondContact O-N 2.89Å; D350-S353 PolarHBondContact O-OG 3.26Å
354K97.7Very high97.7Very high98 Ų9854.9 Ų54.943%0.42630%0.301SS..THydrogen-bonded Turntrans-97.39.8177.5-68.4172.2-176.2161.10113.6D350 A351 V352 M381D350-K354 WeakPolarHBondContact O-CG 3.24Å; D350-K354 PolarHBondContact O-N 2.89Å; D350-K354 VanDerWaalsContact O-N 3.14Å; D350-K354 IonicContact OD1-NZ 3.2Å; D350-K354 PolarHBondContact OD1-NZ 3.47Å; D350-K354 VanDerWaalsContact OD2-CE 3.26Å; D350-K354 WeakPolarHBondContact OD2-CE 3.49Å; D350-K354 IonicContact OD2-NZ 3.36Å; D350-K354 PolarHBondContact OD2-NZ 3.33Å; A351-K354 CarbonylContact O-C 3.5Å; A351-K354 PolarHBondContact O-N 3.16Å; A351-K354 VanDerWaalsContact O-N 3.16Å; V352-K354 PolarHBondContact O-N 3.06Å; V352-K354 VanDerWaalsContact O-N 3.17Å; K354-M381 HydrophobicContact CB-CE 3.75Å; K354-M381 HydrophobicContact CB-CG 4.22Å; K354-M381 HydrophobicContact CD-CG 4.19Å; K354-M381 VanDerWaalsContact O-CE 3.3Å; K354-M381 WeakPolarHBondContact O-CE 3.43Å
355G97.1Very high97.7Very high46 Ų4662.6 Ų62.647%0.47434%0.337SS..THydrogen-bonded Turntrans103.1-0.6171.500000116.3A351 V352A351-G355 PolarHBondContact O-N 2.87Å; V352-G355 PolarHBondContact O-N 3.1Å
356A97.8Very high97.6Very high5 Ų561.9 Ų61.94%0.04135%0.35CS..  trans-64.4150171.100000110.7A351 V352 T375 V377 M381A351-A356 HydrophobicContact CB-CB 3.91Å; A351-A356 VanDerWaalsContact O-CB 3.24Å; A351-A356 WeakPolarHBondContact O-CB 3.48Å; A351-A356 PolarHBondContact O-N 3.4Å; V352-A356 WeakPolarHBondContact CA-O 3.17Å; A356-T375 WeakPolarHBondContact CA-O 3.49Å; A356-V377 HydrophobicContact CB-CG2 4.18Å; A356-M381 HydrophobicContact CB-CE 3.98Å; A356-M381 HydrophobicContact CB-SD 4.04Å
357K98.2Very high97.6Very high120 Ų12057.9 Ų57.952%0.52233%0.332SS..EExtended strand (participates in β ladder)trans-113.9134.1179-64.2-179-172.3135.90111.1L374 T375 D376K357-L374 VanDerWaalsContact O-CA 3.29Å; K357-L374 WeakPolarHBondContact O-CA 3.5Å; K357-T375 HydrophobicContact CB-CG2 3.89Å; K357-T375 PolarHBondContact N-O 2.87Å; K357-T375 PolarHBondContact O-N 2.91Å; K357-D376 VanDerWaalsContact CD-OD2 3.31Å; K357-D376 WeakPolarHBondContact CD-OD2 3.41Å; K357-D376 VanDerWaalsContact CE-OD2 3.26Å; K357-D376 WeakPolarHBondContact CE-OD2 3.33Å; K357-D376 IonicContact NZ-OD2 3.84Å; K357-D376 PolarHBondContact NZ-OD2 3.21Å
358I98.5Very high97.6Very high77 Ų7759.9 Ų59.940%0.39534%0.34SS..EExtended strand (participates in β ladder)trans-77.6120.2170.7-59.3171.5000108.3V348 V352 C360 T372 L374V348-I358 HydrophobicContact CG1-CD1 4.31Å; V352-I358 HydrophobicContact CG2-CD1 3.98Å; V352-I358 HydrophobicContact CG2-CG1 3.8Å; I358-C360 WeakPolarHBondContact CG2-O 3.39Å; I358-T372 HydrophobicContact CG2-CG2 4.46Å; I358-L374 HydrophobicContact CB-CD2 4.28Å; I358-L374 HydrophobicContact CG1-CD2 3.62Å
359I98.2Very high97.7Very high53 Ų5359.7 Ų59.727%0.27234%0.339SS..EExtended strand (participates in β ladder)trans-86.5-42.4174.7-63.7-61.7000110.6L309 Q313 I373 T375L309-I359 HydrophobicContact CD1-CG1 4.15Å; L309-I359 HydrophobicContact CD1-CG2 4.47Å; L309-I359 HydrophobicContact CD2-CD1 4.31Å; L309-I359 HydrophobicContact CD2-CG1 4.37Å; Q313-I359 HydrophobicContact CB-CG2 4.22Å; Q313-I359 HydrophobicContact CG-CG2 4.03Å; I359-I373 HydrophobicContact CB-CB 4.16Å; I359-I373 HydrophobicContact CB-CG2 4.18Å; I359-I373 HydrophobicContact CG1-CG2 4.36Å; I359-I373 PolarHBondContact N-O 3.11Å; I359-T375 HydrophobicContact CD1-CG2 3.61Å; I359-T375 HydrophobicContact CG1-CG2 3.84Å
360C97.9Very high97.6Very high19 Ų1956.1 Ų56.113%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-151.3161.3173.264.70000110.4I358 T372 I373I358-C360 WeakPolarHBondContact CG2-O 3.39Å; C360-T372 WeakPolarHBondContact O-CA 3.4Å; C360-I373 PolarHBondContact O-N 3.1Å
361G97.4Very high97.7Very high39 Ų3955.6 Ų55.640%0.40232%0.322SS..  trans79.8-138.5176.700000114.9K363 P371G361-K363 PolarHBondContact O-N 3.42Å; G361-P371 WeakPolarHBondContact CA-O 3.47Å
362G93.8Very high97.7Very high15 Ų1555.6 Ų55.616%0.15532%0.322CS..  trans86.3-10.6171.600000117.7P364 T372G362-P364 WeakPolarHBondContact O-CD 3.45Å; G362-T372 PolarHBondContact N-OG1 2.89Å
363K94.9Very high97.7Very high185 Ų18552.6 Ų52.680%0.80430%0.304SS*.  trans-116.396.7-176.3-64.8-177-176.6178.30112.1G361 P370G361-K363 PolarHBondContact O-N 3.42Å; K363-P370 WeakPolarHBondContact O-CD 3.33Å; K363-P370 WeakPolarHBondContact O-CG 3.44Å
364P97.3Very high97.7Very high41 Ų4148 Ų4827%0.26627%0.272SS..  trans-73.4153.5178.329.5-34.3000113V341 K345 G362 F368 F369V341-P364 HydrophobicContact CG1-CB 3.78Å; V341-P364 HydrophobicContact CG1-CG 4.03Å; K345-P364 HydrophobicContact CD-CG 4.5Å; G362-P364 WeakPolarHBondContact O-CD 3.45Å; P364-F368 CarbonylContact C-O 3.57Å; P364-F368 VanDerWaalsContact CA-O 3.24Å; P364-F368 WeakPolarHBondContact CA-O 3.28Å; P364-F368 WeakPolarHBondContact CB-O 3.47Å; P364-F369 HydrophobicContact CB-CD2 3.69Å; P364-F369 HydrophobicContact CB-CE2 4.04Å; P364-F369 HydrophobicContact CB-CG 4.2Å; P364-F369 HydrophobicContact CG-CD2 4.05Å; P364-F369 HydrophobicContact CG-CE2 3.87Å
365Q97.3Very high97.7Very high164 Ų16443.9 Ų43.977%0.76626%0.255SS*.BIsolated β-bridgetrans-132.9119.2169.9-178.3179.7-1.700109.9N367 F368Q365-N367 PolarHBondContact O-N 3.28Å; Q365-F368 PolarHBondContact N-O 3.08Å; Q365-F368 WeakPolarHBondContact O-CB 3.22Å; Q365-F368 PolarHBondContact O-N 3.26Å
366G97.5Very high97.7Very high57 Ų5744.6 Ų44.659%0.58825%0.248SC*.THydrogen-bonded Turntrans57.2-127.8-17200000110.5
367N98.7Very high97.6Very high5 Ų544.6 Ų44.63%0.02725%0.248CC..THydrogen-bonded Turntrans-87.3-3175.3-65.4-22.7000114P28 N31 P334 L335 A338 V341 Q365 F369P28-N367 WeakPolarHBondContact O-CB 3.35Å; P28-N367 PolarHBondContact O-ND2 2.96Å; N31-N367 PolarHBondContact OD1-ND2 3.05Å; P334-N367 WeakPolarHBondContact CA-O 3.45Å; P334-N367 HydrophobicContact CB-CB 3.81Å; L335-N367 PolarHBondContact N-O 3.27Å; A338-N367 WeakPolarHBondContact CA-OD1 3.28Å; A338-N367 PolarHBondContact N-OD1 3.15Å; A338-N367 VanDerWaalsContact N-OD1 3.11Å; V341-N367 HydrophobicContact CG2-CB 4.43Å; Q365-N367 PolarHBondContact O-N 3.28Å; N367-F369 PolarHBondContact O-N 3.35Å
368F98.6Very high97.3Very high44 Ų4441.9 Ų41.919%0.19324%0.239CC..BIsolated β-bridgetrans-86.4114.6-178.7-62-78.8000110.5A29 L322 G323 P334 P364 Q365A29-F368 HydrophobicContact CB-CZ 3.97Å; A29-F368 VanDerWaalsContact O-CE2 3.24Å; A29-F368 WeakPolarHBondContact O-CE2 3.41Å; A29-F368 WeakPolarHBondContact O-CZ 3.33Å; L322-F368 HydrophobicContact CD1-CB 4.23Å; L322-F368 HydrophobicContact CD1-CD1 4.02Å; L322-F368 HydrophobicContact CD2-CB 3.76Å; L322-F368 HydrophobicContact CG-CB 4.01Å; L322-F368 HydrophobicContact CG-CD1 4.06Å; L322-F368 HydrophobicContact CG-CG 4.43Å; G323-F368 VanDerWaalsContact C-CE1 3.46Å; G323-F368 VanDerWaalsContact O-CE1 3.27Å; G323-F368 WeakPolarHBondContact O-CE1 3.49Å; P334-F368 HydrophobicContact CB-CD1 3.86Å; P334-F368 HydrophobicContact CB-CE1 3.71Å; P334-F368 HydrophobicContact CB-CG 4.4Å; P334-F368 HydrophobicContact CB-CZ 4.16Å; P334-F368 HydrophobicContact CG-CE1 4.08Å; P334-F368 HydrophobicContact CG-CZ 4.48Å; P364-F368 CarbonylContact C-O 3.57Å; P364-F368 VanDerWaalsContact CA-O 3.24Å; P364-F368 WeakPolarHBondContact CA-O 3.28Å; P364-F368 WeakPolarHBondContact CB-O 3.47Å; Q365-F368 PolarHBondContact N-O 3.08Å; Q365-F368 WeakPolarHBondContact O-CB 3.22Å; Q365-F368 PolarHBondContact O-N 3.26Å
369F98.7Very high96.8Very high3 Ų339.6 Ų39.61%0.01323%0.231CC..  trans-106.2117.9174.9-154.1-69.2000109L335 V341 V344 K345 V348 P364 N367 P391 V392L335-F369 HydrophobicContact CD1-CB 3.78Å; L335-F369 HydrophobicContact CD1-CD2 4.25Å; L335-F369 HydrophobicContact CD1-CG 4.32Å; L335-F369 HydrophobicContact CG-CB 4.06Å; V341-F369 HydrophobicContact CG1-CD2 4.22Å; V344-F369 HydrophobicContact CB-CD2 4Å; V344-F369 HydrophobicContact CB-CE2 3.83Å; V344-F369 HydrophobicContact CB-CZ 4.34Å; V344-F369 HydrophobicContact CG1-CD1 4.11Å; V344-F369 HydrophobicContact CG1-CD2 3.82Å; V344-F369 HydrophobicContact CG1-CE1 3.85Å; V344-F369 HydrophobicContact CG1-CE2 3.55Å; V344-F369 HydrophobicContact CG1-CG 4.12Å; V344-F369 HydrophobicContact CG1-CZ 3.58Å; K345-F369 HydrophobicContact CB-CE2 4.1Å; V348-F369 HydrophobicContact CG2-CZ 4.17Å; P364-F369 HydrophobicContact CB-CD2 3.69Å; P364-F369 HydrophobicContact CB-CE2 4.04Å; P364-F369 HydrophobicContact CB-CG 4.2Å; P364-F369 HydrophobicContact CG-CD2 4.05Å; P364-F369 HydrophobicContact CG-CE2 3.87Å; N367-F369 PolarHBondContact O-N 3.35Å; F369-P391 HydrophobicContact CB-CG 4.11Å; F369-P391 HydrophobicContact CD1-CG 4.11Å; F369-P391 HydrophobicContact CG-CG 4.49Å; F369-P391 VanDerWaalsContact O-CG 3.3Å; F369-P391 WeakPolarHBondContact O-CG 3.3Å; F369-V392 HydrophobicContact CE1-CG2 4.08Å
370P98.2Very high96.3Very high24 Ų2442.6 Ų42.616%0.15625%0.252CS..  trans-67.2142-17827.8-35.2000111.1L322 K363 T372L322-P370 HydrophobicContact CD2-CB 4.3Å; K363-P370 WeakPolarHBondContact O-CD 3.33Å; K363-P370 WeakPolarHBondContact O-CG 3.44Å; P370-T372 PolarHBondContact O-N 2.72Å; P370-T372 VanDerWaalsContact O-N 3.14Å; P370-T372 PolarHBondContact O-OG1 3.39Å
371P98.5Very high96.2Very high14 Ų1441.7 Ų41.79%0.09125%0.246CC..  trans-44.6122.9166-31.138.1000111.2F285 V316 L320 Q332 G361 P391F285-P371 HydrophobicContact CD1-CB 4.03Å; F285-P371 HydrophobicContact CD1-CG 4.33Å; F285-P371 HydrophobicContact CE1-CB 3.6Å; F285-P371 HydrophobicContact CE1-CG 4.39Å; F285-P371 HydrophobicContact CZ-CB 4.22Å; V316-P371 HydrophobicContact CG1-CB 3.8Å; L320-P371 HydrophobicContact CB-CG 3.85Å; L320-P371 HydrophobicContact CD1-CB 3.61Å; L320-P371 HydrophobicContact CD1-CG 3.56Å; L320-P371 HydrophobicContact CG-CG 4.35Å; Q332-P371 HydrophobicContact CG-CG 3.97Å; G361-P371 WeakPolarHBondContact CA-O 3.47Å; P371-P391 WeakPolarHBondContact CA-O 3.33Å
372T98.8Very high96.2Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-126.7131.2-170.7-59.60000109.5I358 C360 G362 P370 L374 P391 V392 V393I358-T372 HydrophobicContact CG2-CG2 4.46Å; C360-T372 WeakPolarHBondContact O-CA 3.4Å; G362-T372 PolarHBondContact N-OG1 2.89Å; P370-T372 PolarHBondContact O-N 2.72Å; P370-T372 VanDerWaalsContact O-N 3.14Å; P370-T372 PolarHBondContact O-OG1 3.39Å; T372-L374 HydrophobicContact CG2-CD2 3.95Å; T372-L374 HydrophobicContact CG2-CG 4.44Å; T372-P391 PolarHBondContact N-O 3.47Å; T372-V392 HydrophobicContact CG2-CG1 4.15Å; T372-V392 CarbonylContact O-C 3.52Å; T372-V392 VanDerWaalsContact O-CA 3.3Å; T372-V392 WeakPolarHBondContact O-CA 3.24Å; T372-V393 PolarHBondContact O-N 2.8Å
373I98.8Very high96.3Very high0 Ų040.9 Ų40.90%023%0.228CC..EExtended strand (participates in β ladder)trans-112.2128.1172.2-59.7172.1000108L309 L312 Q313 V316 I359 C360 V393 I395L309-I373 HydrophobicContact CD1-CG2 3.68Å; L312-I373 HydrophobicContact CB-CD1 4.45Å; L312-I373 HydrophobicContact CD2-CD1 4.09Å; L312-I373 HydrophobicContact CD2-CG1 4.47Å; L312-I373 HydrophobicContact CG-CD1 3.84Å; Q313-I373 HydrophobicContact CB-CD1 4.21Å; V316-I373 HydrophobicContact CB-CD1 4.35Å; V316-I373 HydrophobicContact CG2-CD1 3.96Å; V316-I373 HydrophobicContact CG2-CG1 4.44Å; I359-I373 HydrophobicContact CB-CB 4.16Å; I359-I373 HydrophobicContact CB-CG2 4.18Å; I359-I373 HydrophobicContact CG1-CG2 4.36Å; I359-I373 PolarHBondContact N-O 3.11Å; C360-I373 PolarHBondContact O-N 3.1Å; I373-V393 HydrophobicContact CG1-CB 4.36Å; I373-I395 HydrophobicContact CG2-CD1 3.8Å
374L98.6Very high96.4Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-109.8134.1170.8-53.8-177000109.8V348 A351 K357 I358 T372 V377 I383 V392 V393 I395V348-L374 HydrophobicContact CG1-CD2 4.4Å; A351-L374 HydrophobicContact CB-CD1 3.91Å; K357-L374 VanDerWaalsContact O-CA 3.29Å; K357-L374 WeakPolarHBondContact O-CA 3.5Å; I358-L374 HydrophobicContact CB-CD2 4.28Å; I358-L374 HydrophobicContact CG1-CD2 3.62Å; T372-L374 HydrophobicContact CG2-CD2 3.95Å; T372-L374 HydrophobicContact CG2-CG 4.44Å; L374-V377 HydrophobicContact CB-CG2 3.73Å; L374-I383 HydrophobicContact CD1-CD1 3.66Å; L374-V392 HydrophobicContact CD1-CG1 4.07Å; L374-V392 HydrophobicContact CG-CG1 4.03Å; L374-V393 PolarHBondContact N-O 3.5Å; L374-I395 WeakPolarHBondContact O-CB 3.28Å; L374-I395 PolarHBondContact O-N 3.06Å
375T97.5Very high96.2Very high10 Ų1034.8 Ų34.86%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-112.3174.8166.8-167.20000109.8A356 K357 I359 V377A356-T375 WeakPolarHBondContact CA-O 3.49Å; K357-T375 HydrophobicContact CB-CG2 3.89Å; K357-T375 PolarHBondContact N-O 2.87Å; K357-T375 PolarHBondContact O-N 2.91Å; I359-T375 HydrophobicContact CD1-CG2 3.61Å; I359-T375 HydrophobicContact CG1-CG2 3.84Å; T375-V377 PolarHBondContact O-N 3.06Å
376D95.6Very high96Very high62 Ų6233.8 Ų33.833%0.33219%0.186SC..SBendtrans58.230.6-177.5-57-21.2000111.8K357K357-D376 VanDerWaalsContact CD-OD2 3.31Å; K357-D376 WeakPolarHBondContact CD-OD2 3.41Å; K357-D376 VanDerWaalsContact CE-OD2 3.26Å; K357-D376 WeakPolarHBondContact CE-OD2 3.33Å; K357-D376 IonicContact NZ-OD2 3.84Å; K357-D376 PolarHBondContact NZ-OD2 3.21Å
377V96.3Very high96Very high5 Ų533.1 Ų33.13%0.0317%0.168CC..  trans-78.1129.6178.7-178.50000109.8A356 L374 T375 M381 I383 V384 P394 I395 I396A356-V377 HydrophobicContact CB-CG2 4.18Å; L374-V377 HydrophobicContact CB-CG2 3.73Å; T375-V377 PolarHBondContact O-N 3.06Å; V377-M381 HydrophobicContact CB-SD 4.3Å; V377-M381 HydrophobicContact CG1-SD 3.77Å; V377-I383 HydrophobicContact CG1-CG2 4.1Å; V377-V384 HydrophobicContact CG1-CG2 3.43Å; V377-V384 VanDerWaalsContact CG1-CG2 3.43Å; V377-P394 HydrophobicContact CB-CB 4.38Å; V377-P394 HydrophobicContact CG1-CB 4.03Å; V377-P394 HydrophobicContact CG2-CB 3.85Å; V377-I395 WeakPolarHBondContact CB-O 2.99Å; V377-I395 PolarHBondContact N-O 3.16Å; V377-I396 HydrophobicContact CB-CG1 4.15Å; V377-I396 HydrophobicContact CG1-CG1 4.1Å
378L92.2Very high96Very high63 Ų6332.9 Ų32.933%0.3317%0.167SC..  trans-95.3145.9175.6-56.6178000111T380 M381 V384 Q402L378-T380 PolarHBondContact O-N 3.35Å; L378-M381 HydrophobicContact CB-CE 4.01Å; L378-M381 HydrophobicContact CB-CG 4.16Å; L378-M381 HydrophobicContact CB-SD 4.35Å; L378-M381 HydrophobicContact CD1-CE 4.19Å; L378-M381 HydrophobicContact CG-CE 3.84Å; L378-M381 PolarHBondContact N-SD 3.38Å; L378-M381 WeakPolarHBondContact O-CB 3.31Å; L378-M381 WeakPolarHBondContact O-CG 3.43Å; L378-M381 PolarHBondContact O-N 2.75Å; L378-V384 WeakPolarHBondContact O-CG2 3.36Å; L378-Q402 VanDerWaalsContact CD2-OE1 3.32Å
379A87.6Confident95.9Very high28 Ų2832.5 Ų32.523%0.23117%0.165CC..THydrogen-bonded Turntrans-60.4-19.7-179.800000114.1K385 Y422A379-K385 WeakPolarHBondContact O-CE 3.48Å; A379-Y422 HydrophobicContact CB-CD1 4.36Å; A379-Y422 HydrophobicContact CB-CE1 4.36Å
380T88.2Confident95.9Very high116 Ų11632.3 Ų32.371%0.71216%0.164SC*.THydrogen-bonded Turntrans-85.1-8.5178.2540000113.9L378L378-T380 PolarHBondContact O-N 3.35Å
381M95.6Very high95.9Very high1 Ų131.2 Ų31.21%0.00516%0.157CC..SBendtrans-71.3148.1179.8-67.6174.517800111.4A351 K354 A356 V377 L378 I383 V384 K385A351-M381 HydrophobicContact CB-SD 3.98Å; K354-M381 HydrophobicContact CB-CE 3.75Å; K354-M381 HydrophobicContact CB-CG 4.22Å; K354-M381 HydrophobicContact CD-CG 4.19Å; K354-M381 VanDerWaalsContact O-CE 3.3Å; K354-M381 WeakPolarHBondContact O-CE 3.43Å; A356-M381 HydrophobicContact CB-CE 3.98Å; A356-M381 HydrophobicContact CB-SD 4.04Å; V377-M381 HydrophobicContact CB-SD 4.3Å; V377-M381 HydrophobicContact CG1-SD 3.77Å; L378-M381 HydrophobicContact CB-CE 4.01Å; L378-M381 HydrophobicContact CB-CG 4.16Å; L378-M381 HydrophobicContact CB-SD 4.35Å; L378-M381 HydrophobicContact CD1-CE 4.19Å; L378-M381 HydrophobicContact CG-CE 3.84Å; L378-M381 PolarHBondContact N-SD 3.38Å; L378-M381 WeakPolarHBondContact O-CB 3.31Å; L378-M381 WeakPolarHBondContact O-CG 3.43Å; L378-M381 PolarHBondContact O-N 2.75Å; M381-I383 HydrophobicContact CB-CG2 4.15Å; M381-I383 PolarHBondContact O-N 2.88Å; M381-V384 PolarHBondContact O-N 3.43Å; M381-V384 VanDerWaalsContact O-N 3.07Å; M381-K385 PolarHBondContact O-N 3.01Å
382E96.7Very high95.9Very high37 Ų3730.5 Ų30.517%0.17315%0.153CC..Hα-helixtrans-62.6-36-176.5-170.7177.3139.100112H346 L347 D350 V384 K385 R386H346-E382 IonicContact CD2-OE1 2.7Å; H346-E382 IonicContact NE2-OE2 2.74Å; L347-E382 HydrophobicContact CD2-CB 4.1Å; L347-E382 HydrophobicContact CD2-CG 3.62Å; L347-E382 WeakPolarHBondContact CD2-OE1 3.38Å; D350-E382 PolarHBondContact OD1-N 3.1Å; E382-V384 PolarHBondContact O-N 3.35Å; E382-V384 VanDerWaalsContact O-N 3.11Å; E382-K385 PolarHBondContact O-N 3.12Å; E382-R386 HydrophobicContact CG-CG 3.96Å; E382-R386 PolarHBondContact O-N 2.97Å; E382-R386 VanDerWaalsContact OE1-CD 3.26Å; E382-R386 WeakPolarHBondContact OE1-CD 3.45Å; E382-R386 IonicContact OE1-CZ 2.68Å; E382-R386 IonicContact OE1-NE 3.94Å; E382-R386 PolarHBondContact OE1-NE 3.42Å; E382-R386 IonicContact OE1-NH1 2.79Å; E382-R386 PolarHBondContact OE1-NH1 3.25Å; E382-R386 IonicContact OE2-NH1 3.66Å
383I97.3Very high95.9Very high0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-59.3-23.4178-159.4168.7000113.4L347 V348 A351 L374 V377 M381 I388 V392 P394L347-I383 HydrophobicContact CB-CB 4.29Å; L347-I383 HydrophobicContact CB-CD1 4.34Å; L347-I383 HydrophobicContact CB-CG1 4.1Å; V348-I383 HydrophobicContact CG2-CD1 4.49Å; A351-I383 HydrophobicContact CB-CB 4.48Å; A351-I383 HydrophobicContact CB-CG2 3.93Å; L374-I383 HydrophobicContact CD1-CD1 3.66Å; V377-I383 HydrophobicContact CG1-CG2 4.1Å; M381-I383 HydrophobicContact CB-CG2 4.15Å; M381-I383 PolarHBondContact O-N 2.88Å; I383-I388 HydrophobicContact CD1-CD1 4.13Å; I383-I388 HydrophobicContact CG1-CD1 3.61Å; I383-I388 HydrophobicContact CG1-CG1 3.88Å; I383-V392 HydrophobicContact CD1-CB 4.43Å; I383-V392 HydrophobicContact CD1-CG1 3.71Å; I383-P394 HydrophobicContact CD1-CB 4.37Å; I383-P394 HydrophobicContact CG1-CB 4.45Å; I383-P394 HydrophobicContact CG1-CG 4.36Å; I383-P394 HydrophobicContact CG2-CB 4.08Å
384V95.7Very high95.9Very high5 Ų530.5 Ų30.53%0.0315%0.153CC..Hα-helixtrans-86.3-36.6174.8-179.10000110.7N262 R297 V377 L378 M381 E382 I396N262-V384 PolarHBondContact ND2-O 2.95Å; R297-V384 WeakPolarHBondContact CD-O 3.36Å; R297-V384 HydrophobicContact CG-CG1 3.89Å; V377-V384 HydrophobicContact CG1-CG2 3.43Å; V377-V384 VanDerWaalsContact CG1-CG2 3.43Å; L378-V384 WeakPolarHBondContact O-CG2 3.36Å; M381-V384 PolarHBondContact O-N 3.43Å; M381-V384 VanDerWaalsContact O-N 3.07Å; E382-V384 PolarHBondContact O-N 3.35Å; E382-V384 VanDerWaalsContact O-N 3.11Å; V384-I396 HydrophobicContact CG1-CD1 3.9Å; V384-I396 HydrophobicContact CG2-CD1 3.9Å; V384-I396 HydrophobicContact CG2-CG1 4.42Å
385K93.8Very high95.9Very high92 Ų9230.5 Ų30.540%0.415%0.153SC..Hα-helixtrans-84.6-16-174.5-65.2-60.3-170.9178.50114.2A379 M381 E382 D425A379-K385 WeakPolarHBondContact O-CE 3.48Å; M381-K385 PolarHBondContact O-N 3.01Å; E382-K385 PolarHBondContact O-N 3.12Å; K385-D425 PolarHBondContact NZ-O 3.11Å; K385-D425 VanDerWaalsContact NZ-O 3.14Å; K385-D425 IonicContact NZ-OD1 2.73Å; K385-D425 IonicContact NZ-OD2 3.89Å; K385-D425 PolarHBondContact NZ-OD2 3.02Å
386R94.1Very high95.8Very high144 Ų14430.7 Ų30.754%0.54315%0.153SC..SBendtrans-117.8148.9-179-63.6-170.1176.7176.6-6.3112.4E382 I388E382-R386 HydrophobicContact CG-CG 3.96Å; E382-R386 PolarHBondContact O-N 2.97Å; E382-R386 VanDerWaalsContact OE1-CD 3.26Å; E382-R386 WeakPolarHBondContact OE1-CD 3.45Å; E382-R386 IonicContact OE1-CZ 2.68Å; E382-R386 IonicContact OE1-NE 3.94Å; E382-R386 PolarHBondContact OE1-NE 3.42Å; E382-R386 IonicContact OE1-NH1 2.79Å; E382-R386 PolarHBondContact OE1-NH1 3.25Å; E382-R386 IonicContact OE2-NH1 3.66Å; R386-I388 PolarHBondContact O-N 2.98Å
387E96.4Very high95.6Very high42 Ų4231.8 Ų31.820%0.19615%0.152CC..  trans-63.7121.4169.3-175.6174.6-142.600109.9G261 K343 F389G261-E387 PolarHBondContact N-OE1 3.16Å; G261-E387 VanDerWaalsContact O-CB 3.28Å; G261-E387 WeakPolarHBondContact O-CB 3.43Å; G261-E387 VanDerWaalsContact O-CD 3.23Å; G261-E387 WeakPolarHBondContact O-CG 3.21Å; K343-E387 VanDerWaalsContact CE-O 3.27Å; K343-E387 WeakPolarHBondContact CE-O 3.41Å; K343-E387 PolarHBondContact NZ-O 2.88Å; E387-F389 HydrophobicContact CG-CD2 3.94Å
388I98Very high94.9Very high1 Ų132 Ų321%0.00515%0.153CC..  trans-73.3-52.9-174.8-56172.5000110.4N296 K343 V344 L347 I383 R386 V392 P394N296-I388 HydrophobicContact CB-CD1 4.33Å; K343-I388 PolarHBondContact NZ-O 2.86Å; V344-I388 HydrophobicContact CG1-CG2 4.34Å; V344-I388 HydrophobicContact CG2-CG2 4.41Å; L347-I388 HydrophobicContact CD1-CB 4.41Å; L347-I388 HydrophobicContact CD1-CG1 4.38Å; L347-I388 HydrophobicContact CD1-CG2 4.31Å; I383-I388 HydrophobicContact CD1-CD1 4.13Å; I383-I388 HydrophobicContact CG1-CD1 3.61Å; I383-I388 HydrophobicContact CG1-CG1 3.88Å; R386-I388 PolarHBondContact O-N 2.98Å; I388-V392 HydrophobicContact CD1-CB 4.5Å; I388-V392 HydrophobicContact CG2-CB 4.22Å; I388-V392 HydrophobicContact CG2-CG2 4.31Å; I388-P394 HydrophobicContact CD1-CG 3.89Å
389F97.6Very high93.8Very high35 Ų3530.8 Ų30.815%0.15415%0.147CC..  trans59.143.4-174.4-128.6-94.6000113.2W156 N157 G289 Q290 E387W156-F389 AromaticContact CH2-CD1 3.58Å; W156-F389 HydrophobicContact CH2-CD1 3.58Å; W156-F389 AromaticContact CH2-CE1 3.31Å; W156-F389 HydrophobicContact CH2-CE1 3.31Å; W156-F389 AromaticContact CZ2-CD1 3.71Å; W156-F389 HydrophobicContact CZ2-CD1 3.71Å; W156-F389 AromaticContact CZ2-CE1 3.42Å; W156-F389 HydrophobicContact CZ2-CE1 3.42Å; W156-F389 VanDerWaalsContact CZ2-CE1 3.42Å; W156-F389 HydrophobicContact CZ2-CZ 4.49Å; W156-F389 HydrophobicContact CZ3-CE1 4.15Å; N157-F389 HydrophobicContact CB-CE1 4.03Å; N157-F389 HydrophobicContact CB-CZ 4.16Å; N157-F389 WeakPolarHBondContact ND2-CZ 3.4Å; G289-F389 CarbonylContact O-C 3.48Å; G289-F389 WeakPolarHBondContact O-CA 3.45Å; Q290-F389 VanDerWaalsContact C-CE1 3.4Å; Q290-F389 VanDerWaalsContact CA-CD1 3.46Å; Q290-F389 HydrophobicContact CB-CD1 3.66Å; Q290-F389 HydrophobicContact CB-CE1 3.63Å; Q290-F389 HydrophobicContact CG-CD1 3.99Å; Q290-F389 HydrophobicContact CG-CE1 4.41Å; Q290-F389 WeakPolarHBondContact O-CE1 3.27Å; Q290-F389 WeakPolarHBondContact O-CZ 3.46Å; E387-F389 HydrophobicContact CG-CD2 3.94Å
390G98.4Very high91.8Very high0 Ų033.2 Ų33.20%016%0.155CC..SBendtrans-164.8171.4-179.900000111.2K284 S288 G289 V392K284-G390 WeakPolarHBondContact CE-O 3.49Å; K284-G390 PolarHBondContact NZ-O 3.43Å; K284-G390 VanDerWaalsContact NZ-O 3.1Å; S288-G390 CarbonylContact O-C 3.39Å; S288-G390 WeakPolarHBondContact O-CA 3.5Å; G289-G390 PolarHBondContact O-N 3Å; G390-V392 PolarHBondContact O-N 2.78Å
391P98.3Very high89.2Confident0 Ų032.7 Ų32.70%015%0.154CC..SBendtrans-85.854.6-165.536.1-36.5000111.9F285 S288 F369 P371 T372F285-P391 HydrophobicContact CD1-CB 3.91Å; F285-P391 HydrophobicContact CE1-CB 4.16Å; S288-P391 WeakPolarHBondContact O-CD 3.33Å; F369-P391 HydrophobicContact CB-CG 4.11Å; F369-P391 HydrophobicContact CD1-CG 4.11Å; F369-P391 HydrophobicContact CG-CG 4.49Å; F369-P391 VanDerWaalsContact O-CG 3.3Å; F369-P391 WeakPolarHBondContact O-CG 3.3Å; P371-P391 WeakPolarHBondContact CA-O 3.33Å; T372-P391 PolarHBondContact N-O 3.47Å
392V98.8Very high86.7Confident0 Ų039 Ų390%018%0.184CC..EExtended strand (participates in β ladder)trans-117.4124-179.6-1700000111.8K284 V344 V348 F369 T372 L374 I383 I388 G390 P394K284-V392 WeakPolarHBondContact CD-O 3.14Å; K284-V392 WeakPolarHBondContact CE-O 2.89Å; K284-V392 PolarHBondContact NZ-O 2.79Å; V344-V392 HydrophobicContact CG1-CG2 3.53Å; V348-V392 HydrophobicContact CG2-CG1 4.02Å; V348-V392 HydrophobicContact CG2-CG2 3.84Å; F369-V392 HydrophobicContact CE1-CG2 4.08Å; T372-V392 HydrophobicContact CG2-CG1 4.15Å; T372-V392 CarbonylContact O-C 3.52Å; T372-V392 VanDerWaalsContact O-CA 3.3Å; T372-V392 WeakPolarHBondContact O-CA 3.24Å; L374-V392 HydrophobicContact CD1-CG1 4.07Å; L374-V392 HydrophobicContact CG-CG1 4.03Å; I383-V392 HydrophobicContact CD1-CB 4.43Å; I383-V392 HydrophobicContact CD1-CG1 3.71Å; I388-V392 HydrophobicContact CD1-CB 4.5Å; I388-V392 HydrophobicContact CG2-CB 4.22Å; I388-V392 HydrophobicContact CG2-CG2 4.31Å; G390-V392 PolarHBondContact O-N 2.78Å; V392-P394 WeakPolarHBondContact O-CD 3.43Å
393V98.6Very high83.8Confident0 Ų046.7 Ų46.70%021%0.212CC..EExtended strand (participates in β ladder)trans-100.398.6174.6-177.90000109K284 F285 F298 L312 T372 I373 L374 I395K284-V393 HydrophobicContact CB-CG2 4.15Å; K284-V393 HydrophobicContact CD-CG2 4.28Å; K284-V393 HydrophobicContact CG-CG2 3.65Å; F285-V393 HydrophobicContact CE1-CG2 4.32Å; F285-V393 HydrophobicContact CE2-CG2 4.07Å; F285-V393 HydrophobicContact CZ-CG2 3.57Å; F298-V393 HydrophobicContact CB-CG1 4.39Å; F298-V393 HydrophobicContact CD1-CG1 4.04Å; F298-V393 HydrophobicContact CD2-CB 4.43Å; F298-V393 HydrophobicContact CD2-CG1 3.47Å; F298-V393 VanDerWaalsContact CD2-CG1 3.47Å; F298-V393 HydrophobicContact CE1-CG1 4.18Å; F298-V393 HydrophobicContact CE2-CB 4.3Å; F298-V393 HydrophobicContact CE2-CG1 3.63Å; F298-V393 HydrophobicContact CE2-CG2 4.31Å; F298-V393 HydrophobicContact CG-CG1 3.69Å; F298-V393 HydrophobicContact CZ-CG1 3.98Å; F298-V393 HydrophobicContact CZ-CG2 4.41Å; L312-V393 HydrophobicContact CD2-CG1 3.86Å; L312-V393 HydrophobicContact CD2-CG2 4.45Å; T372-V393 PolarHBondContact O-N 2.8Å; I373-V393 HydrophobicContact CG1-CB 4.36Å; L374-V393 PolarHBondContact N-O 3.5Å; V393-I395 HydrophobicContact CG1-CD1 4.08Å; V393-I395 HydrophobicContact CG1-CG1 3.69Å
394P98.2Very high81.1Confident0 Ų054 Ų540%025%0.249CC..EExtended strand (participates in β ladder)trans-82.5116.5168.732.4-34.3000110.8N296 F298 V377 I383 I388 V392N296-P394 WeakPolarHBondContact O-CG 3.34Å; F298-P394 WeakPolarHBondContact CB-O 2.9Å; F298-P394 PolarHBondContact N-O 2.79Å; F298-P394 VanDerWaalsContact N-O 3.16Å; V377-P394 HydrophobicContact CB-CB 4.38Å; V377-P394 HydrophobicContact CG1-CB 4.03Å; V377-P394 HydrophobicContact CG2-CB 3.85Å; I383-P394 HydrophobicContact CD1-CB 4.37Å; I383-P394 HydrophobicContact CG1-CB 4.45Å; I383-P394 HydrophobicContact CG1-CG 4.36Å; I383-P394 HydrophobicContact CG2-CB 4.08Å; I388-P394 HydrophobicContact CD1-CG 3.89Å; V392-P394 WeakPolarHBondContact O-CD 3.43Å
395I98.1Very high78.7Confident0 Ų061 Ų610%029%0.285CS..EExtended strand (participates in β ladder)trans-100.9119.8-179.5-60.2172.3000110.1F298 V300 F308 L309 L312 I373 L374 V377 V393F298-I395 HydrophobicContact CB-CG1 4.07Å; V300-I395 HydrophobicContact CB-CG2 4.31Å; V300-I395 HydrophobicContact CG2-CG2 3.87Å; F308-I395 HydrophobicContact CD1-CD1 4.49Å; F308-I395 HydrophobicContact CE1-CD1 4.19Å; L309-I395 HydrophobicContact CD1-CD1 3.67Å; L312-I395 HydrophobicContact CD2-CD1 4.07Å; I373-I395 HydrophobicContact CG2-CD1 3.8Å; L374-I395 WeakPolarHBondContact O-CB 3.28Å; L374-I395 PolarHBondContact O-N 3.06Å; V377-I395 WeakPolarHBondContact CB-O 2.99Å; V377-I395 PolarHBondContact N-O 3.16Å; V393-I395 HydrophobicContact CG1-CD1 4.08Å; V393-I395 HydrophobicContact CG1-CG1 3.69Å
396I95.5Very high76.1Confident14 Ų1466.1 Ų66.17%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-100.7117.7172.3-57.4161.5000107F298 F299 V300 V377 V384 Y398F298-I396 PolarHBondContact O-N 3.15Å; F299-I396 HydrophobicContact CD1-CB 4.16Å; F299-I396 HydrophobicContact CD1-CD1 4.06Å; F299-I396 HydrophobicContact CD1-CG2 4.23Å; F299-I396 HydrophobicContact CE1-CB 4.49Å; F299-I396 HydrophobicContact CE1-CD1 3.58Å; F299-I396 HydrophobicContact CE1-CG2 4.49Å; F299-I396 HydrophobicContact CZ-CD1 4.1Å; V300-I396 PolarHBondContact N-O 2.86Å; V377-I396 HydrophobicContact CB-CG1 4.15Å; V377-I396 HydrophobicContact CG1-CG1 4.1Å; V384-I396 HydrophobicContact CG1-CD1 3.9Å; V384-I396 HydrophobicContact CG2-CD1 3.9Å; V384-I396 HydrophobicContact CG2-CG1 4.42Å; I396-Y398 PolarHBondContact O-N 2.85Å
397R91.9Very high73.7Confident84 Ų8464 Ų6432%0.31732%0.317SS..EExtended strand (participates in β ladder)trans-80113.9169.9-171.2-173.4-67.6-170.3-5.4108.9K302 H305 D306 I400K302-R397 HydrophobicContact CB-CG 4.48Å; H305-R397 HydrophobicContact CB-CG 4.06Å; H305-R397 VanDerWaalsContact CD2-CB 3.41Å; H305-R397 WeakPolarHBondContact CD2-CB 3.04Å; H305-R397 PolarHBondContact CE1-NE 2.85Å; H305-R397 PolarHBondContact CE1-NH2 3.1Å; H305-R397 VanDerWaalsContact CE1-NH2 3.28Å; H305-R397 VanDerWaalsContact CG-NE 3.28Å; H305-R397 PolarHBondContact ND1-NE 3.41Å; H305-R397 PolarHBondContact ND1-NH2 3.05Å; D306-R397 IonicContact OD1-CZ 3.42Å; D306-R397 IonicContact OD1-NH2 3.45Å; D306-R397 PolarHBondContact OD1-NH2 3.17Å; D306-R397 IonicContact OD2-NH2 3.73Å; R397-I400 HydrophobicContact CG-CD1 4.35Å; R397-I400 HydrophobicContact CG-CG1 4.28Å
398Y81.6Confident71.2Confident9 Ų971.5 Ų71.54%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-100.1152.5174.175.4-85.4000111.5I266 F268 F299 V300 H301 K302 I396 V419I266-Y398 HydrophobicContact CG2-CE1 4.29Å; F268-Y398 WeakPolarHBondContact CD1-OH 3.35Å; F299-Y398 HydrophobicContact CB-CD1 3.78Å; F299-Y398 HydrophobicContact CB-CE1 3.94Å; V300-Y398 VanDerWaalsContact C-CD1 3.46Å; V300-Y398 VanDerWaalsContact C-CE1 3.43Å; V300-Y398 WeakPolarHBondContact O-CD1 3.49Å; V300-Y398 PolarHBondContact O-N 3.24Å; V300-Y398 VanDerWaalsContact O-N 3.16Å; H301-Y398 HydrophobicContact CB-CE1 4.01Å; H301-Y398 HydrophobicContact CB-CE2 4.33Å; H301-Y398 AromaticContact CD2-CE2 3.67Å; H301-Y398 AromaticContact CD2-CZ 3.96Å; K302-Y398 PolarHBondContact N-O 3.12Å; I396-Y398 PolarHBondContact O-N 2.85Å; Y398-V419 HydrophobicContact CD1-CG2 4.06Å; Y398-V419 HydrophobicContact CD2-CB 3.97Å; Y398-V419 HydrophobicContact CD2-CG2 4.24Å; Y398-V419 HydrophobicContact CE1-CG2 3.88Å; Y398-V419 HydrophobicContact CE2-CB 3.77Å; Y398-V419 HydrophobicContact CE2-CG1 3.96Å; Y398-V419 HydrophobicContact CE2-CG2 4.06Å; Y398-V419 HydrophobicContact CG-CB 4.41Å; Y398-V419 HydrophobicContact CG-CG2 4.24Å
399L69Low68.6Low39 Ų3974.1 Ų74.120%0.20437%0.371CS..SBendtrans83.712.2-165.3-129.2104.4000116.7K302 F413K302-L399 HydrophobicContact CB-CB 4.17Å; K302-L399 HydrophobicContact CD-CB 3.9Å; K302-L399 HydrophobicContact CD-CD2 3.53Å; K302-L399 HydrophobicContact CD-CG 4.29Å; K302-L399 HydrophobicContact CG-CB 3.83Å; K302-L399 HydrophobicContact CG-CD2 4.04Å; L399-F413 WeakPolarHBondContact CD1-O 3.43Å; L399-F413 WeakPolarHBondContact CG-O 3.42Å
400I46Very low65.7Low79 Ų7978.2 Ų78.241%0.40540%0.404SS..SBendtrans-105119.1162.8-62.2-160.1000109.2R397 Q402R397-I400 HydrophobicContact CG-CD1 4.35Å; R397-I400 HydrophobicContact CG-CG1 4.28Å; I400-Q402 PolarHBondContact O-N 3Å; I400-Q402 VanDerWaalsContact O-N 3.1Å
401C34.4Very low62.8Low104 Ų10482.6 Ų82.670%0.70342%0.423SS*.  trans-53110.7172.3-79.50000111.6
402Q42.2Very low59.6Low134 Ų13491.2 Ų91.263%0.62646%0.455SS*.  trans-125.677151.2-73.9-164.7-2.100109.9L378 I400 I404L378-Q402 VanDerWaalsContact CD2-OE1 3.32Å; I400-Q402 PolarHBondContact O-N 3Å; I400-Q402 VanDerWaalsContact O-N 3.1Å; Q402-I404 PolarHBondContact O-N 3.42Å
403R36.7Very low57.1Low199 Ų19993.7 Ų93.775%0.75147%0.466SS*.  trans-63110.3155.4-87176.9154.9-172.9-8.3108.4
404I39.8Very low54.9Low152 Ų152100 Ų10078%0.77950%0.496SS*.SBendtrans-130.4-19.4152-69-169000114.7Q402Q402-I404 PolarHBondContact O-N 3.42Å
405L44.9Very low53.7Low152 Ų152102.4 Ų102.480%0.79651%0.513SS*.SBendtrans-135.35.8-172.1-85.9162.7000120.4
406Y39.1Very low53.2Low200 Ų200103.8 Ų103.878%0.78452%0.519SS*.  trans-12789.3167.4-63.9-73.4000109.7E408Y406-E408 VanDerWaalsContact C-N 3.3Å
407A44.7Very low52.9Low101 Ų101108 Ų10884%0.83554%0.542SS*.SBendtrans-81-5.1-179.800000113.7
408E42.5Very low52.5Low199 Ų199104.5 Ų104.593%0.9353%0.529SS*.SBendtrans-115.5-0.7-174.4-66.8-169.9173.300115.4Y406Y406-E408 VanDerWaalsContact C-N 3.3Å
409S44Very low53Low56 Ų56104.1 Ų104.139%0.39253%0.527SS..SBendtrans-108.9132165.779.40000110.2F411S409-F411 PolarHBondContact O-N 3.17Å; S409-F411 VanDerWaalsContact OG-CD2 3.3Å; S409-F411 WeakPolarHBondContact OG-CD2 3.38Å
410S36.8Very low54.2Low121 Ų121102.7 Ų102.785%0.84652%0.52SS*.  trans-73.165176.755.80000110.7
411F37.2Very low56.4Low92 Ų92103.9 Ų103.940%0.40452%0.524SS..  trans-99.4123.7175.6-94.3-97.9000110.5S409 E418 E421S409-F411 PolarHBondContact O-N 3.17Å; S409-F411 VanDerWaalsContact OG-CD2 3.3Å; S409-F411 WeakPolarHBondContact OG-CD2 3.38Å; F411-E418 HydrophobicContact CD1-CG 4.48Å; F411-E421 WeakPolarHBondContact CE1-OE2 3.46Å; F411-E421 VanDerWaalsContact CZ-OE2 3.23Å; F411-E421 WeakPolarHBondContact CZ-OE2 3.5Å
412R32.5Very low59.1Low180 Ų180102.3 Ų102.368%0.67950%0.504SS*.  trans-127.3118.9171.8-65.4-173179.9-132.91.7106.8E414R412-E414 HydrophobicContact CB-CG 4.08Å; R412-E414 WeakPolarHBondContact CD-OE1 3.34Å; R412-E414 IonicContact NH1-OE1 2.65Å; R412-E414 PolarHBondContact O-N 3.09Å
413F45.6Very low61.6Low53 Ų5396 Ų9623%0.23247%0.474CS..SBendtrans-55.977.9169-75-92.3000110.7L399 E418 Y422L399-F413 WeakPolarHBondContact CD1-O 3.43Å; L399-F413 WeakPolarHBondContact CG-O 3.42Å; F413-E418 VanDerWaalsContact CA-CD 3.42Å; F413-E418 WeakPolarHBondContact CA-OE2 3.25Å; F413-E418 HydrophobicContact CD1-CG 4.01Å; F413-E418 WeakPolarHBondContact CD1-OE1 3.32Å; F413-E418 WeakPolarHBondContact CD2-OE1 3.34Å; F413-E418 HydrophobicContact CE1-CG 4.28Å; F413-E418 WeakPolarHBondContact CE1-OE1 3.15Å; F413-E418 WeakPolarHBondContact CE2-OE1 3.48Å; F413-E418 HydrophobicContact CG-CG 4.48Å; F413-E418 WeakPolarHBondContact CG-OE1 3.37Å; F413-E418 PolarHBondContact N-OE2 2.62Å; F413-Y422 HydrophobicContact CD1-CE2 4.13Å; F413-Y422 AromaticContact CE1-CD2 3.67Å; F413-Y422 HydrophobicContact CE1-CD2 3.67Å; F413-Y422 AromaticContact CE1-CE2 3.19Å; F413-Y422 HydrophobicContact CE1-CE2 3.19Å; F413-Y422 AromaticContact CE1-CZ 3.88Å; F413-Y422 HydrophobicContact CE2-CE2 4.18Å; F413-Y422 HydrophobicContact CZ-CD2 4.11Å; F413-Y422 HydrophobicContact CZ-CE1 4.41Å; F413-Y422 AromaticContact CZ-CE2 3.23Å; F413-Y422 HydrophobicContact CZ-CE2 3.23Å; F413-Y422 AromaticContact CZ-CZ 3.41Å; F413-Y422 VanDerWaalsContact CZ-CZ 3.41Å; F413-Y422 VanDerWaalsContact CZ-OH 3.27Å; F413-Y422 WeakPolarHBondContact CZ-OH 3.27Å
414E51.2Low64.5Low132 Ų13287.9 Ų87.962%0.61745%0.446SS*.  trans-128.3-8-177.4-74.6-177.8-164.300113.3R412R412-E414 HydrophobicContact CB-CG 4.08Å; R412-E414 WeakPolarHBondContact CD-OE1 3.34Å; R412-E414 IonicContact NH1-OE1 2.65Å; R412-E414 PolarHBondContact O-N 3.09Å
415S74Confident67Low51 Ų5184.8 Ų84.836%0.35743%0.431SS..SBendtrans-136.1162.8-167.9720000115.9D417 E418S415-D417 PolarHBondContact O-N 3.49Å; S415-D417 PolarHBondContact OG-N 3.25Å; S415-E418 PolarHBondContact O-N 3.08Å; S415-E418 PolarHBondContact OG-N 3.4Å
416E87.7Confident69.4Low29 Ų2978.4 Ų78.414%0.13640%0.398CS..Hα-helixtrans-51.9-37.5165.2178.6179.4114.100112F268 E418 V419 I420 Q441 R444 V445F268-E416 HydrophobicContact CE1-CG 4.31Å; E416-E418 PolarHBondContact O-N 3.44Å; E416-V419 VanDerWaalsContact O-CG1 3.24Å; E416-V419 WeakPolarHBondContact O-CG1 3.49Å; E416-I420 HydrophobicContact CG-CD1 3.86Å; E416-I420 WeakPolarHBondContact O-CD1 3.29Å; E416-I420 VanDerWaalsContact O-CG1 3.23Å; E416-I420 WeakPolarHBondContact O-CG1 3.43Å; E416-I420 PolarHBondContact O-N 3.36Å; E416-Q441 WeakPolarHBondContact OE2-CB 3.27Å; E416-Q441 WeakPolarHBondContact OE2-CG 3.41Å; E416-Q441 PolarHBondContact OE2-NE2 2.89Å; E416-R444 WeakPolarHBondContact OE1-CB 3.29Å; E416-R444 IonicContact OE1-CZ 3.77Å; E416-R444 IonicContact OE1-NE 3.99Å; E416-R444 PolarHBondContact OE1-NE 3.2Å; E416-R444 IonicContact OE1-NH2 3.78Å; E416-R444 PolarHBondContact OE1-NH2 2.83Å; E416-R444 IonicContact OE2-CZ 2.61Å; E416-R444 IonicContact OE2-NE 2.66Å; E416-R444 IonicContact OE2-NH2 2.91Å; E416-R444 PolarHBondContact OE2-NH2 3.08Å; E416-V445 HydrophobicContact CG-CG2 3.83Å
417D88.1Confident72.1Confident103 Ų10374.3 Ų74.355%0.55139%0.39SS*.Hα-helixtrans-64.8-39.4-176.4-59-40.5000112.6S415 I420 E421S415-D417 PolarHBondContact O-N 3.49Å; S415-D417 PolarHBondContact OG-N 3.25Å; D417-I420 WeakPolarHBondContact O-CB 3.44Å; D417-I420 PolarHBondContact O-N 2.85Å; D417-E421 PolarHBondContact O-N 3.33Å
418E83.7Confident74.6Confident9 Ų970.9 Ų70.94%0.04236%0.359CS..Hα-helixtrans-71.9-41.3-176.4-177.9163.6172.800112.6F411 F413 S415 E416 I420 E421 Y422F411-E418 HydrophobicContact CD1-CG 4.48Å; F413-E418 VanDerWaalsContact CA-CD 3.42Å; F413-E418 WeakPolarHBondContact CA-OE2 3.25Å; F413-E418 HydrophobicContact CD1-CG 4.01Å; F413-E418 WeakPolarHBondContact CD1-OE1 3.32Å; F413-E418 WeakPolarHBondContact CD2-OE1 3.34Å; F413-E418 HydrophobicContact CE1-CG 4.28Å; F413-E418 WeakPolarHBondContact CE1-OE1 3.15Å; F413-E418 WeakPolarHBondContact CE2-OE1 3.48Å; F413-E418 HydrophobicContact CG-CG 4.48Å; F413-E418 WeakPolarHBondContact CG-OE1 3.37Å; F413-E418 PolarHBondContact N-OE2 2.62Å; S415-E418 PolarHBondContact O-N 3.08Å; S415-E418 PolarHBondContact OG-N 3.4Å; E416-E418 PolarHBondContact O-N 3.44Å; E418-I420 PolarHBondContact O-N 2.94Å; E418-E421 WeakPolarHBondContact O-CB 3.44Å; E418-E421 PolarHBondContact O-N 2.75Å; E418-E421 VanDerWaalsContact O-N 3.15Å; E418-Y422 HydrophobicContact CG-CD2 3.76Å; E418-Y422 HydrophobicContact CG-CE2 3.52Å; E418-Y422 VanDerWaalsContact O-CD2 3.23Å; E418-Y422 WeakPolarHBondContact O-CD2 3.09Å; E418-Y422 PolarHBondContact O-N 3.24Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.44Å
419V92.3Very high77.2Confident1 Ų161.4 Ų61.41%0.00632%0.315CS..Hα-helixtrans-64.3-31.9175.465.60000111.4I266 F268 F299 Y398 E416 A423I266-V419 HydrophobicContact CD1-CG2 4.18Å; I266-V419 HydrophobicContact CG1-CG2 4.21Å; I266-V419 HydrophobicContact CG2-CG1 4.37Å; I266-V419 HydrophobicContact CG2-CG2 3.84Å; F268-V419 HydrophobicContact CE1-CG1 3.9Å; F268-V419 HydrophobicContact CZ-CG1 4.18Å; F299-V419 HydrophobicContact CB-CG2 3.72Å; F299-V419 HydrophobicContact CD1-CG2 4.34Å; F299-V419 HydrophobicContact CG-CG2 4Å; Y398-V419 HydrophobicContact CD1-CG2 4.06Å; Y398-V419 HydrophobicContact CD2-CB 3.97Å; Y398-V419 HydrophobicContact CD2-CG2 4.24Å; Y398-V419 HydrophobicContact CE1-CG2 3.88Å; Y398-V419 HydrophobicContact CE2-CB 3.77Å; Y398-V419 HydrophobicContact CE2-CG1 3.96Å; Y398-V419 HydrophobicContact CE2-CG2 4.06Å; Y398-V419 HydrophobicContact CG-CB 4.41Å; Y398-V419 HydrophobicContact CG-CG2 4.24Å; E416-V419 VanDerWaalsContact O-CG1 3.24Å; E416-V419 WeakPolarHBondContact O-CG1 3.49Å; V419-A423 WeakPolarHBondContact O-CB 3.2Å; V419-A423 PolarHBondContact O-N 3.48Å
420I94.1Very high79.8Confident10 Ų1058.9 Ų58.95%0.05130%0.297CS..Hα-helixtrans-66.2-45.8172.2-69166.8000110.4E416 D417 E418 Y422 A423 N424 V445 L448E416-I420 HydrophobicContact CG-CD1 3.86Å; E416-I420 WeakPolarHBondContact O-CD1 3.29Å; E416-I420 VanDerWaalsContact O-CG1 3.23Å; E416-I420 WeakPolarHBondContact O-CG1 3.43Å; E416-I420 PolarHBondContact O-N 3.36Å; D417-I420 WeakPolarHBondContact O-CB 3.44Å; D417-I420 PolarHBondContact O-N 2.85Å; E418-I420 PolarHBondContact O-N 2.94Å; I420-Y422 PolarHBondContact O-N 2.83Å; I420-A423 CarbonylContact O-C 3.53Å; I420-A423 WeakPolarHBondContact O-CB 3.3Å; I420-A423 PolarHBondContact O-N 2.8Å; I420-A423 VanDerWaalsContact O-N 3.15Å; I420-N424 WeakPolarHBondContact O-CB 3.37Å; I420-N424 VanDerWaalsContact O-CG 3.31Å; I420-N424 PolarHBondContact O-N 3.15Å; I420-V445 HydrophobicContact CD1-CG2 4.06Å; I420-V445 HydrophobicContact CG1-CG1 4.46Å; I420-L448 HydrophobicContact CD1-CB 3.99Å; I420-L448 HydrophobicContact CD1-CD1 3.68Å; I420-L448 HydrophobicContact CD1-CG 4.5Å; I420-L448 HydrophobicContact CG2-CB 3.78Å
421E93.3Very high82.7Confident104 Ų10453.2 Ų53.249%0.48626%0.257SS..Hα-helixtrans-57.7-48.7177.5-174174.616600111.4F411 D417 E418 A423 N424 D425F411-E421 WeakPolarHBondContact CE1-OE2 3.46Å; F411-E421 VanDerWaalsContact CZ-OE2 3.23Å; F411-E421 WeakPolarHBondContact CZ-OE2 3.5Å; D417-E421 PolarHBondContact O-N 3.33Å; E418-E421 WeakPolarHBondContact O-CB 3.44Å; E418-E421 PolarHBondContact O-N 2.75Å; E418-E421 VanDerWaalsContact O-N 3.15Å; E421-A423 PolarHBondContact O-N 3.12Å; E421-N424 CarbonylContact O-C 3.56Å; E421-N424 PolarHBondContact O-N 3.29Å; E421-N424 VanDerWaalsContact O-N 3.1Å; E421-D425 WeakPolarHBondContact O-CB 3.15Å; E421-D425 PolarHBondContact O-N 2.93Å
422Y91.1Very high85.6Confident70 Ų7048.8 Ų48.828%0.27524%0.238SC..Hα-helixtrans-65.1-36.4174.6-77.6-70.9000113.2R297 A379 F413 E418 I420 N424 D425R297-Y422 PolarHBondContact NH1-O 2.94Å; A379-Y422 HydrophobicContact CB-CD1 4.36Å; A379-Y422 HydrophobicContact CB-CE1 4.36Å; F413-Y422 HydrophobicContact CD1-CE2 4.13Å; F413-Y422 AromaticContact CE1-CD2 3.67Å; F413-Y422 HydrophobicContact CE1-CD2 3.67Å; F413-Y422 AromaticContact CE1-CE2 3.19Å; F413-Y422 HydrophobicContact CE1-CE2 3.19Å; F413-Y422 AromaticContact CE1-CZ 3.88Å; F413-Y422 HydrophobicContact CE2-CE2 4.18Å; F413-Y422 HydrophobicContact CZ-CD2 4.11Å; F413-Y422 HydrophobicContact CZ-CE1 4.41Å; F413-Y422 AromaticContact CZ-CE2 3.23Å; F413-Y422 HydrophobicContact CZ-CE2 3.23Å; F413-Y422 AromaticContact CZ-CZ 3.41Å; F413-Y422 VanDerWaalsContact CZ-CZ 3.41Å; F413-Y422 VanDerWaalsContact CZ-OH 3.27Å; F413-Y422 WeakPolarHBondContact CZ-OH 3.27Å; E418-Y422 HydrophobicContact CG-CD2 3.76Å; E418-Y422 HydrophobicContact CG-CE2 3.52Å; E418-Y422 VanDerWaalsContact O-CD2 3.23Å; E418-Y422 WeakPolarHBondContact O-CD2 3.09Å; E418-Y422 PolarHBondContact O-N 3.24Å; E418-Y422 WeakPolarHBondContact OE1-CE2 3.44Å; I420-Y422 PolarHBondContact O-N 2.83Å; Y422-N424 PolarHBondContact O-N 2.74Å; Y422-D425 PolarHBondContact O-N 3.24Å
423A94.9Very high88.8Confident2 Ų240.3 Ų40.32%0.01721%0.206CC..Hα-helixtrans-62-34.7173.700000111P264 I266 R297 F299 V419 I420 E421 L449P264-A423 HydrophobicContact CB-CB 3.77Å; P264-A423 HydrophobicContact CG-CB 4.04Å; I266-A423 HydrophobicContact CD1-CB 4Å; R297-A423 VanDerWaalsContact CZ-O 3.31Å; R297-A423 PolarHBondContact NH1-O 3.39Å; R297-A423 PolarHBondContact NH2-O 3.38Å; F299-A423 HydrophobicContact CE2-CB 4.4Å; V419-A423 WeakPolarHBondContact O-CB 3.2Å; V419-A423 PolarHBondContact O-N 3.48Å; I420-A423 CarbonylContact O-C 3.53Å; I420-A423 WeakPolarHBondContact O-CB 3.3Å; I420-A423 PolarHBondContact O-N 2.8Å; I420-A423 VanDerWaalsContact O-N 3.15Å; E421-A423 PolarHBondContact O-N 3.12Å; A423-L449 HydrophobicContact CB-CD2 3.64Å
424N96.3Very high91.3Very high28 Ų2837.8 Ų37.815%0.1520%0.195CC..Hα-helixtrans-87.3-15.9179.8-70.5-13.9000114.7I420 E421 Y422 V426 L448 D450 K472I420-N424 WeakPolarHBondContact O-CB 3.37Å; I420-N424 VanDerWaalsContact O-CG 3.31Å; I420-N424 PolarHBondContact O-N 3.15Å; E421-N424 CarbonylContact O-C 3.56Å; E421-N424 PolarHBondContact O-N 3.29Å; E421-N424 VanDerWaalsContact O-N 3.1Å; Y422-N424 PolarHBondContact O-N 2.74Å; N424-V426 PolarHBondContact O-N 2.97Å; N424-L448 PolarHBondContact ND2-O 2.73Å; N424-D450 HydrophobicContact CB-CB 4.41Å; N424-D450 PolarHBondContact OD1-N 3Å; N424-K472 PolarHBondContact O-NZ 3.4Å
425D93.6Very high93.6Very high88 Ų8831.7 Ų31.747%0.47117%0.166SC..  trans-72.754.8178.8-177.635.2000113.5K385 E421 Y422K385-D425 PolarHBondContact NZ-O 3.11Å; K385-D425 VanDerWaalsContact NZ-O 3.14Å; K385-D425 IonicContact NZ-OD1 2.73Å; K385-D425 IonicContact NZ-OD2 3.89Å; K385-D425 PolarHBondContact NZ-OD2 3.02Å; E421-D425 WeakPolarHBondContact O-CB 3.15Å; E421-D425 PolarHBondContact O-N 2.93Å; Y422-D425 PolarHBondContact O-N 3.24Å
426V94.7Very high94.7Very high17 Ų1729.2 Ų29.210%0.10315%0.149CC..SBendtrans-148.9150.4171.6-70.50000109.3N424 T428 K472N424-V426 PolarHBondContact O-N 2.97Å; V426-T428 WeakPolarHBondContact CG2-O 2.87Å; V426-T428 PolarHBondContact O-N 2.74Å; V426-K472 PolarHBondContact O-NZ 2.87Å
427N95.7Very high95.2Very high115 Ų11535.6 Ų35.662%0.61517%0.172SC*.SBendtrans-76.9-7.3177.1-68.9-20.9000113.5K472 E473N427-K472 WeakPolarHBondContact O-CB 3.24Å; N427-E473 HydrophobicContact CB-CG 4.07Å; N427-E473 VanDerWaalsContact O-CB 3.3Å; N427-E473 WeakPolarHBondContact O-CB 3.38Å; N427-E473 PolarHBondContact O-N 3.42Å
428T97Very high95.5Very high28 Ų2834 Ų3417%0.17216%0.163CC..EExtended strand (participates in β ladder)trans-100.4142.1179.356.40000111N262 V426 S474N262-T428 VanDerWaalsContact CB-OG1 3.29Å; N262-T428 WeakPolarHBondContact CB-OG1 3.33Å; N262-T428 PolarHBondContact N-OG1 3.14Å; V426-T428 WeakPolarHBondContact CG2-O 2.87Å; V426-T428 PolarHBondContact O-N 2.74Å; T428-S474 WeakPolarHBondContact CA-OG 3.21Å; T428-S474 WeakPolarHBondContact CB-OG 3.43Å
429G97.5Very high96.2Very high1 Ų138 Ų381%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-142.948.7179.100000113D450 V451 G452 G470 M471 S474G429-D450 VanDerWaalsContact CA-O 3.3Å; G429-D450 WeakPolarHBondContact CA-O 3.28Å; G429-V451 CarbonylContact O-C 3.35Å; G429-V451 WeakPolarHBondContact O-CA 3.35Å; G429-G452 PolarHBondContact O-N 3.13Å; G429-G470 CarbonylContact O-C 3.51Å; G429-G470 VanDerWaalsContact O-CA 3.3Å; G429-G470 WeakPolarHBondContact O-CA 3.46Å; G429-M471 PolarHBondContact N-O 3Å; G429-M471 PolarHBondContact O-N 2.9Å; G429-S474 PolarHBondContact N-OG 2.84Å
430L98.4Very high96.3Very high2 Ų240.3 Ų40.31%0.0121%0.208CC..SBendtrans-76.3-63.2-179.1-175.659.6000112.1C292 V293 G452 M453 F468 S474C292-L430 HydrophobicContact CB-CD2 3.65Å; V293-L430 HydrophobicContact CG1-CD2 3.92Å; V293-L430 HydrophobicContact CG1-CG 4.21Å; L430-G452 PolarHBondContact O-N 3.17Å; L430-M453 HydrophobicContact CD1-CE 3.6Å; L430-M453 HydrophobicContact CG-CE 3.8Å; L430-M453 WeakPolarHBondContact O-CE 3.49Å; L430-M453 PolarHBondContact O-N 3.13Å; L430-M453 VanDerWaalsContact O-N 3.1Å; L430-F468 HydrophobicContact CD1-CE1 4.15Å; L430-S474 PolarHBondContact N-OG 3.44Å; L430-S474 VanDerWaalsContact N-OG 3.08Å
431A98.3Very high96.3Very high2 Ų240.8 Ų40.82%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-133.6156.3-178.700000111.1A263 P264 V293 Y433 M453 I461A263-A431 VanDerWaalsContact CA-O 3.26Å; A263-A431 WeakPolarHBondContact CA-O 3.44Å; A263-A431 HydrophobicContact CB-CB 4.34Å; A263-A431 WeakPolarHBondContact CB-O 2.96Å; P264-A431 WeakPolarHBondContact CD-O 3.23Å; V293-A431 HydrophobicContact CB-CB 3.97Å; V293-A431 HydrophobicContact CG1-CB 3.99Å; A431-Y433 HydrophobicContact CB-CE2 4.25Å; A431-M453 CarbonylContact C-O 3.59Å; A431-M453 WeakPolarHBondContact CA-O 3.48Å; A431-M453 HydrophobicContact CB-CE 4.4Å; A431-I461 HydrophobicContact CB-CD1 4.01Å
432G98.3Very high96.5Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-148.2152.7169.200000111.4M453 T454 G455G432-M453 PolarHBondContact N-O 3Å; G432-T454 CarbonylContact O-C 3.58Å; G432-T454 VanDerWaalsContact O-CA 3.31Å; G432-T454 WeakPolarHBondContact O-CA 3.32Å; G432-G455 PolarHBondContact O-N 3.14Å
433Y98.7Very high96.8Very high1 Ų139.8 Ų39.80%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-131.7140.1-175.1-55.2-81.4000110.2A263 P264 F265 I266 V293 A295 A431 G455 A459 I461A263-Y433 HydrophobicContact CB-CD2 4.19Å; A263-Y433 HydrophobicContact CB-CE2 3.91Å; P264-Y433 PolarHBondContact O-N 2.84Å; F265-Y433 CarbonylContact C-O 3.42Å; F265-Y433 VanDerWaalsContact CA-O 3.28Å; F265-Y433 WeakPolarHBondContact CA-O 3.24Å; F265-Y433 HydrophobicContact CD2-CD2 4.39Å; F265-Y433 HydrophobicContact CD2-CG 4.15Å; I266-Y433 PolarHBondContact N-O 2.71Å; V293-Y433 VanDerWaalsContact O-CE2 3.22Å; V293-Y433 WeakPolarHBondContact O-CE2 3.01Å; V293-Y433 PolarHBondContact O-OH 3.32Å; A295-Y433 HydrophobicContact CB-CD2 4.33Å; A431-Y433 HydrophobicContact CB-CE2 4.25Å; Y433-G455 CarbonylContact C-O 3.53Å; Y433-G455 VanDerWaalsContact CA-O 3.31Å; Y433-G455 WeakPolarHBondContact CA-O 3.47Å; Y433-A459 VanDerWaalsContact CE1-O 3.28Å; Y433-A459 WeakPolarHBondContact CE1-O 3.36Å; Y433-I461 HydrophobicContact CE1-CD1 3.91Å; Y433-I461 HydrophobicContact CE1-CG1 4.33Å; Y433-I461 HydrophobicContact CE1-CG2 4.03Å
434F98.4Very high96.8Very high0 Ų045 Ų450%023%0.226CC..EExtended strand (participates in β ladder)trans-149.5154.6166.971.3-89.2000113I266 F268 I442 V445 A446 L449 T454 G455 I456 N457I266-F434 HydrophobicContact CB-CB 3.83Å; I266-F434 CarbonylContact O-C 3.52Å; I266-F434 WeakPolarHBondContact O-CA 3.21Å; F268-F434 HydrophobicContact CD2-CB 4.39Å; F268-F434 HydrophobicContact CD2-CD2 4.12Å; F268-F434 HydrophobicContact CE2-CB 3.97Å; F268-F434 AromaticContact CE2-CD2 3.83Å; F268-F434 HydrophobicContact CE2-CD2 3.83Å; F268-F434 HydrophobicContact CE2-CG 4.15Å; F434-I442 HydrophobicContact CE2-CB 4.28Å; F434-I442 HydrophobicContact CE2-CG1 3.92Å; F434-I442 HydrophobicContact CZ-CB 4.46Å; F434-I442 HydrophobicContact CZ-CG2 4.32Å; F434-V445 HydrophobicContact CD1-CB 4.5Å; F434-V445 HydrophobicContact CD1-CG1 3.67Å; F434-V445 HydrophobicContact CD2-CG1 4.19Å; F434-V445 HydrophobicContact CE1-CB 4.11Å; F434-V445 HydrophobicContact CE1-CG1 3.71Å; F434-V445 HydrophobicContact CE2-CB 4.18Å; F434-V445 HydrophobicContact CE2-CG1 4.25Å; F434-V445 HydrophobicContact CG-CG1 3.91Å; F434-V445 HydrophobicContact CZ-CB 3.95Å; F434-V445 HydrophobicContact CZ-CG1 4.02Å; F434-A446 HydrophobicContact CE1-CB 4.13Å; F434-A446 HydrophobicContact CZ-CB 4.17Å; F434-L449 HydrophobicContact CD1-CD1 3.92Å; F434-L449 HydrophobicContact CE1-CD1 4.42Å; F434-T454 HydrophobicContact CD1-CG2 3.93Å; F434-T454 HydrophobicContact CE1-CG2 3.65Å; F434-G455 PolarHBondContact N-O 2.96Å; F434-I456 HydrophobicContact CD1-CG1 4.38Å; F434-I456 HydrophobicContact CD2-CG2 4.5Å; F434-I456 HydrophobicContact CE1-CB 4.49Å; F434-I456 HydrophobicContact CE1-CD1 4.11Å; F434-I456 HydrophobicContact CE1-CG1 3.6Å; F434-I456 HydrophobicContact CE1-CG2 4.48Å; F434-I456 HydrophobicContact CE2-CG1 4.44Å; F434-I456 HydrophobicContact CE2-CG2 3.8Å; F434-I456 HydrophobicContact CZ-CB 4.24Å; F434-I456 HydrophobicContact CZ-CD1 3.88Å; F434-I456 HydrophobicContact CZ-CG1 3.63Å; F434-I456 HydrophobicContact CZ-CG2 3.79Å; F434-I456 WeakPolarHBondContact O-CA 3.47Å; F434-N457 PolarHBondContact O-N 3.2Å
435Y98.6Very high96.8Very high4 Ų443.7 Ų43.72%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-121.5124.5-180-74.1-103000109.5F265 I266 F268 A271 A275 A276 G279 N457 E458F265-Y435 AromaticContact CE1-CD2 3.95Å; F265-Y435 HydrophobicContact CE1-CD2 3.95Å; F265-Y435 HydrophobicContact CE1-CE2 4.13Å; F265-Y435 HydrophobicContact CE2-CD2 4.09Å; F265-Y435 AromaticContact CE2-CE2 3.48Å; F265-Y435 HydrophobicContact CE2-CE2 3.48Å; F265-Y435 VanDerWaalsContact CE2-CE2 3.48Å; F265-Y435 AromaticContact CZ-CD2 3.5Å; F265-Y435 HydrophobicContact CZ-CD2 3.5Å; F265-Y435 AromaticContact CZ-CE2 3.22Å; F265-Y435 HydrophobicContact CZ-CE2 3.22Å; I266-Y435 PolarHBondContact O-N 3.49Å; F268-Y435 WeakPolarHBondContact CB-O 3.26Å; F268-Y435 WeakPolarHBondContact CD2-O 3.39Å; F268-Y435 PolarHBondContact N-O 3.45Å; F268-Y435 VanDerWaalsContact N-O 3.12Å; A271-Y435 WeakPolarHBondContact CB-O 3.14Å; A275-Y435 VanDerWaalsContact C-CE1 3.42Å; A275-Y435 HydrophobicContact CB-CD1 4.2Å; A275-Y435 HydrophobicContact CB-CE1 4.04Å; A275-Y435 VanDerWaalsContact O-CE1 3.25Å; A275-Y435 WeakPolarHBondContact O-CE1 3.33Å; A276-Y435 VanDerWaalsContact CA-CD1 3.46Å; A276-Y435 HydrophobicContact CB-CD1 3.86Å; A276-Y435 HydrophobicContact CB-CD2 4.25Å; A276-Y435 HydrophobicContact CB-CE1 4.49Å; A276-Y435 HydrophobicContact CB-CG 3.75Å; G279-Y435 WeakPolarHBondContact CA-OH 3.49Å; Y435-N457 VanDerWaalsContact CA-OD1 3.27Å; Y435-N457 WeakPolarHBondContact CA-OD1 3.47Å; Y435-N457 HydrophobicContact CD1-CB 4.22Å; Y435-N457 VanDerWaalsContact CE1-C 3.48Å; Y435-N457 VanDerWaalsContact CE1-CA 3.41Å; Y435-N457 HydrophobicContact CE1-CB 4.27Å; Y435-E458 PolarHBondContact OH-N 3.14Å
436S97.8Very high97Very high0 Ų041 Ų410%021%0.209CC..  trans-160.2151.5-179.8-178.60000109.6S270 D438 Q441 N457S270-S436 PolarHBondContact OG-OG 2.85Å; S436-D438 PolarHBondContact OG-N 2.99Å; S436-D438 VanDerWaalsContact OG-N 3.15Å; S436-Q441 PolarHBondContact OG-OE1 3.28Å; S436-N457 PolarHBondContact N-OD1 2.84Å; S436-N457 VanDerWaalsContact N-OD1 3.09Å; S436-N457 PolarHBondContact O-ND2 3.5Å; S436-N457 PolarHBondContact O-OD1 3.08Å
437R97.6Very high97.1Very high163 Ų16349.8 Ų49.862%0.61524%0.24SC*.SBendtrans-106-4.8168.8-69.6178.4174.3177-0.5112.8S270 D272 V439S270-R437 VanDerWaalsContact O-CB 3.3Å; S270-R437 WeakPolarHBondContact O-CB 3.27Å; S270-R437 WeakPolarHBondContact O-CD 3.15Å; S270-R437 WeakPolarHBondContact O-CG 3.41Å; S270-R437 PolarHBondContact O-N 2.95Å; S270-R437 PolarHBondContact OG-N 3.46Å; S270-R437 VanDerWaalsContact OG-N 3.08Å; D272-R437 VanDerWaalsContact CG-NH2 3.35Å; D272-R437 IonicContact OD2-CZ 2.76Å; D272-R437 IonicContact OD2-NH2 2.76Å; D272-R437 PolarHBondContact OD2-NH2 2.82Å; R437-V439 PolarHBondContact O-N 2.92Å
438D96Very high97.1Very high68 Ų6848 Ų4836%0.36423%0.23SC..  trans-82.4109.6175.9176.2-12.9000109.3S270 S436 A440 Q441 I442S270-D438 PolarHBondContact OG-N 3.35Å; S436-D438 PolarHBondContact OG-N 2.99Å; S436-D438 VanDerWaalsContact OG-N 3.15Å; D438-A440 VanDerWaalsContact C-N 3.3Å; D438-A440 PolarHBondContact O-N 2.81Å; D438-A440 WeakPolarHBondContact OD1-CA 3.3Å; D438-A440 WeakPolarHBondContact OD1-CB 3.49Å; D438-A440 PolarHBondContact OD1-N 2.85Å; D438-Q441 HydrophobicContact CB-CB 3.8Å; D438-Q441 WeakPolarHBondContact O-CB 3.21Å; D438-Q441 PolarHBondContact O-N 3.12Å; D438-Q441 PolarHBondContact OD1-N 2.81Å; D438-Q441 VanDerWaalsContact OD1-N 3.08Å; D438-I442 VanDerWaalsContact O-CG1 3.24Å; D438-I442 WeakPolarHBondContact O-CG1 3.48Å; D438-I442 PolarHBondContact O-N 2.73Å
439V97.1Very high97.2Very high93 Ų9347 Ų4756%0.56422%0.223SC*.Hα-helixtrans-61-38.6-179.1178.10000111.9R437 I442 F443R437-V439 PolarHBondContact O-N 2.92Å; V439-I442 WeakPolarHBondContact O-CB 3.33Å; V439-I442 PolarHBondContact O-N 2.87Å; V439-F443 HydrophobicContact CG1-CD2 3.84Å; V439-F443 HydrophobicContact CG1-CE2 3.85Å; V439-F443 WeakPolarHBondContact O-CD2 3.49Å; V439-F443 PolarHBondContact O-N 3.22Å
440A95.2Very high97.2Very high51 Ų5150 Ų5042%0.42124%0.24SC..Hα-helixtrans-67-42.5179.800000110.6D438 F443 R444D438-A440 VanDerWaalsContact C-N 3.3Å; D438-A440 PolarHBondContact O-N 2.81Å; D438-A440 WeakPolarHBondContact OD1-CA 3.3Å; D438-A440 WeakPolarHBondContact OD1-CB 3.49Å; D438-A440 PolarHBondContact OD1-N 2.85Å; A440-F443 PolarHBondContact O-N 3.02Å; A440-R444 WeakPolarHBondContact O-CG 3.5Å; A440-R444 PolarHBondContact O-N 3.28Å; A440-R444 VanDerWaalsContact O-N 3.16Å; A440-R444 PolarHBondContact O-NH1 3.3Å
441Q94.3Very high97.2Very high19 Ų1950.4 Ų50.49%0.08924%0.242CC..Hα-helixtrans-60.9-44171.3170.616689.700111.9F268 E416 S436 D438 F443 R444 V445F268-Q441 VanDerWaalsContact CB-OE1 3.27Å; F268-Q441 HydrophobicContact CE2-CG 4.45Å; F268-Q441 HydrophobicContact CZ-CG 4.46Å; E416-Q441 WeakPolarHBondContact OE2-CB 3.27Å; E416-Q441 WeakPolarHBondContact OE2-CG 3.41Å; E416-Q441 PolarHBondContact OE2-NE2 2.89Å; S436-Q441 PolarHBondContact OG-OE1 3.28Å; D438-Q441 HydrophobicContact CB-CB 3.8Å; D438-Q441 WeakPolarHBondContact O-CB 3.21Å; D438-Q441 PolarHBondContact O-N 3.12Å; D438-Q441 PolarHBondContact OD1-N 2.81Å; D438-Q441 VanDerWaalsContact OD1-N 3.08Å; Q441-F443 VanDerWaalsContact C-N 3.33Å; Q441-F443 PolarHBondContact O-N 3.42Å; Q441-R444 VanDerWaalsContact CA-NH2 3.34Å; Q441-R444 PolarHBondContact O-N 3.45Å; Q441-V445 HydrophobicContact CG-CG2 3.75Å; Q441-V445 WeakPolarHBondContact O-CB 3.45Å; Q441-V445 WeakPolarHBondContact O-CG2 3.29Å; Q441-V445 PolarHBondContact O-N 3.35Å
442I96.7Very high97.1Very high30 Ų3051.5 Ų51.515%0.15425%0.253CS..Hα-helixtrans-54.4-49.8177.8-74.8165.9000111.1F434 D438 V439 R444 A446 I456F434-I442 HydrophobicContact CE2-CB 4.28Å; F434-I442 HydrophobicContact CE2-CG1 3.92Å; F434-I442 HydrophobicContact CZ-CB 4.46Å; F434-I442 HydrophobicContact CZ-CG2 4.32Å; D438-I442 VanDerWaalsContact O-CG1 3.24Å; D438-I442 WeakPolarHBondContact O-CG1 3.48Å; D438-I442 PolarHBondContact O-N 2.73Å; V439-I442 WeakPolarHBondContact O-CB 3.33Å; V439-I442 PolarHBondContact O-N 2.87Å; I442-R444 PolarHBondContact O-N 3.06Å; I442-A446 WeakPolarHBondContact O-CB 3.41Å; I442-A446 PolarHBondContact O-N 3.37Å; I442-I456 HydrophobicContact CD1-CG2 4.32Å; I442-I456 HydrophobicContact CG1-CG2 4.04Å; I442-I456 HydrophobicContact CG2-CD1 4.02Å; I442-I456 HydrophobicContact CG2-CG2 3.78Å
443F97Very high97.1Very high124 Ų12452.4 Ų52.454%0.54426%0.258SS..Hα-helixtrans-68.1-34.8-178.8-87.5-85.1000113.3V439 A440 Q441 R447V439-F443 HydrophobicContact CG1-CD2 3.84Å; V439-F443 HydrophobicContact CG1-CE2 3.85Å; V439-F443 WeakPolarHBondContact O-CD2 3.49Å; V439-F443 PolarHBondContact O-N 3.22Å; A440-F443 PolarHBondContact O-N 3.02Å; Q441-F443 VanDerWaalsContact C-N 3.33Å; Q441-F443 PolarHBondContact O-N 3.42Å; F443-R447 WeakPolarHBondContact O-CG 3.3Å
444R95.7Very high97.1Very high111 Ų11154.4 Ų54.442%0.41927%0.27SS..Hα-helixtrans-70.2-56.4176.7-71-171.9-53.6-91.9-2.5111.1E416 A440 Q441 I442 A446 R447 L448E416-R444 WeakPolarHBondContact OE1-CB 3.29Å; E416-R444 IonicContact OE1-CZ 3.77Å; E416-R444 IonicContact OE1-NE 3.99Å; E416-R444 PolarHBondContact OE1-NE 3.2Å; E416-R444 IonicContact OE1-NH2 3.78Å; E416-R444 PolarHBondContact OE1-NH2 2.83Å; E416-R444 IonicContact OE2-CZ 2.61Å; E416-R444 IonicContact OE2-NE 2.66Å; E416-R444 IonicContact OE2-NH2 2.91Å; E416-R444 PolarHBondContact OE2-NH2 3.08Å; A440-R444 WeakPolarHBondContact O-CG 3.5Å; A440-R444 PolarHBondContact O-N 3.28Å; A440-R444 VanDerWaalsContact O-N 3.16Å; A440-R444 PolarHBondContact O-NH1 3.3Å; Q441-R444 VanDerWaalsContact CA-NH2 3.34Å; Q441-R444 PolarHBondContact O-N 3.45Å; I442-R444 PolarHBondContact O-N 3.06Å; R444-A446 VanDerWaalsContact C-N 3.32Å; R444-A446 PolarHBondContact O-N 2.93Å; R444-R447 PolarHBondContact O-N 3.38Å; R444-R447 VanDerWaalsContact O-N 3.09Å; R444-L448 HydrophobicContact CB-CD1 4.38Å; R444-L448 VanDerWaalsContact O-CG 3.31Å; R444-L448 WeakPolarHBondContact O-CG 3.43Å; R444-L448 PolarHBondContact O-N 3.26Å
445V96.6Very high97.1Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-59-43.1-177.3178.50000111.1F268 E416 I420 F434 Q441 R447 L448 L449F268-V445 HydrophobicContact CE2-CG1 4.14Å; F268-V445 HydrophobicContact CE2-CG2 3.93Å; F268-V445 HydrophobicContact CZ-CG1 4.2Å; F268-V445 HydrophobicContact CZ-CG2 3.59Å; E416-V445 HydrophobicContact CG-CG2 3.83Å; I420-V445 HydrophobicContact CD1-CG2 4.06Å; I420-V445 HydrophobicContact CG1-CG1 4.46Å; F434-V445 HydrophobicContact CD1-CB 4.5Å; F434-V445 HydrophobicContact CD1-CG1 3.67Å; F434-V445 HydrophobicContact CD2-CG1 4.19Å; F434-V445 HydrophobicContact CE1-CB 4.11Å; F434-V445 HydrophobicContact CE1-CG1 3.71Å; F434-V445 HydrophobicContact CE2-CB 4.18Å; F434-V445 HydrophobicContact CE2-CG1 4.25Å; F434-V445 HydrophobicContact CG-CG1 3.91Å; F434-V445 HydrophobicContact CZ-CB 3.95Å; F434-V445 HydrophobicContact CZ-CG1 4.02Å; Q441-V445 HydrophobicContact CG-CG2 3.75Å; Q441-V445 WeakPolarHBondContact O-CB 3.45Å; Q441-V445 WeakPolarHBondContact O-CG2 3.29Å; Q441-V445 PolarHBondContact O-N 3.35Å; V445-R447 PolarHBondContact O-N 2.84Å; V445-R447 VanDerWaalsContact O-N 3.16Å; V445-L448 PolarHBondContact O-N 3.04Å; V445-L448 VanDerWaalsContact O-N 3.15Å; V445-L449 HydrophobicContact CG1-CD1 3.9Å; V445-L449 HydrophobicContact CG1-CG 4.01Å; V445-L449 WeakPolarHBondContact O-CG 3.34Å; V445-L449 PolarHBondContact O-N 3.22Å
446A97.2Very high97.1Very high32 Ų3257.1 Ų57.126%0.26428%0.284SS..Hα-helixtrans-60.7-27.4-179.800000114F434 I442 R444 I456F434-A446 HydrophobicContact CE1-CB 4.13Å; F434-A446 HydrophobicContact CZ-CB 4.17Å; I442-A446 WeakPolarHBondContact O-CB 3.41Å; I442-A446 PolarHBondContact O-N 3.37Å; R444-A446 VanDerWaalsContact C-N 3.32Å; R444-A446 PolarHBondContact O-N 2.93Å; A446-I456 HydrophobicContact CB-CD1 3.75Å
447R96.6Very high97.1Very high202 Ų20260.1 Ų60.176%0.76230%0.3SS*.Hα-helixtrans-89.9-28.1177.2-71.4175.4173.3162-0.9113.2F443 R444 V445F443-R447 WeakPolarHBondContact O-CG 3.3Å; R444-R447 PolarHBondContact O-N 3.38Å; R444-R447 VanDerWaalsContact O-N 3.09Å; V445-R447 PolarHBondContact O-N 2.84Å; V445-R447 VanDerWaalsContact O-N 3.16Å
448L97.3Very high97.1Very high78 Ų7856.7 Ų56.741%0.40829%0.291SS..Hα-helixtrans-87.4-21.5-175.5-69.4170.9000112.9I420 N424 R444 V445 D450I420-L448 HydrophobicContact CD1-CB 3.99Å; I420-L448 HydrophobicContact CD1-CD1 3.68Å; I420-L448 HydrophobicContact CD1-CG 4.5Å; I420-L448 HydrophobicContact CG2-CB 3.78Å; N424-L448 PolarHBondContact ND2-O 2.73Å; R444-L448 HydrophobicContact CB-CD1 4.38Å; R444-L448 VanDerWaalsContact O-CG 3.31Å; R444-L448 WeakPolarHBondContact O-CG 3.43Å; R444-L448 PolarHBondContact O-N 3.26Å; V445-L448 PolarHBondContact O-N 3.04Å; V445-L448 VanDerWaalsContact O-N 3.15Å; L448-D450 PolarHBondContact O-N 3.37Å
449L97.8Very high97.1Very high5 Ų553.5 Ų53.53%0.02628%0.275CS..SBendtrans-70.4123.9172.6-70.7176.8000110.9I266 A423 F434 V445 V451 T454I266-L449 HydrophobicContact CD1-CD2 4.11Å; A423-L449 HydrophobicContact CB-CD2 3.64Å; F434-L449 HydrophobicContact CD1-CD1 3.92Å; F434-L449 HydrophobicContact CE1-CD1 4.42Å; V445-L449 HydrophobicContact CG1-CD1 3.9Å; V445-L449 HydrophobicContact CG1-CG 4.01Å; V445-L449 WeakPolarHBondContact O-CG 3.34Å; V445-L449 PolarHBondContact O-N 3.22Å; L449-V451 HydrophobicContact CB-CG2 4.03Å; L449-V451 PolarHBondContact O-N 3.02Å; L449-T454 HydrophobicContact CD1-CG2 4.29Å
450D97.6Very high96.9Very high66 Ų6653.2 Ų53.235%0.35327%0.268SS..  trans-80.159.3179.6-69-27.1000111.7N424 G429 L448 K472N424-D450 HydrophobicContact CB-CB 4.41Å; N424-D450 PolarHBondContact OD1-N 3Å; G429-D450 VanDerWaalsContact CA-O 3.3Å; G429-D450 WeakPolarHBondContact CA-O 3.28Å; L448-D450 PolarHBondContact O-N 3.37Å; D450-K472 HydrophobicContact CB-CD 4.35Å; D450-K472 VanDerWaalsContact CB-CE 3.46Å; D450-K472 VanDerWaalsContact OD2-CE 3.28Å; D450-K472 WeakPolarHBondContact OD2-CE 3.32Å; D450-K472 IonicContact OD2-NZ 3.98Å; D450-K472 PolarHBondContact OD2-NZ 2.92Å
451V98.2Very high97Very high10 Ų1052.4 Ų52.46%0.06126%0.257CS..  trans-131.6146.6-178.6-600000111.1G429 L449 M453 T454 M471G429-V451 CarbonylContact O-C 3.35Å; G429-V451 WeakPolarHBondContact O-CA 3.35Å; L449-V451 HydrophobicContact CB-CG2 4.03Å; L449-V451 PolarHBondContact O-N 3.02Å; V451-M453 VanDerWaalsContact C-N 3.32Å; V451-M453 WeakPolarHBondContact CG2-O 3.26Å; V451-M453 PolarHBondContact O-N 3.03Å; V451-T454 VanDerWaalsContact CG2-OG1 3.29Å; V451-T454 WeakPolarHBondContact CG2-OG1 3.31Å; V451-M471 WeakPolarHBondContact O-CE 3.24Å
452G97.6Very high97Very high25 Ų2552.8 Ų52.826%0.25826%0.261SS..SBendtrans-71.6-25.9179.800000114G429 L430 G469G429-G452 PolarHBondContact O-N 3.13Å; L430-G452 PolarHBondContact O-N 3.17Å; G452-G469 WeakPolarHBondContact CA-O 3.4Å
453M98.2Very high97.1Very high19 Ų1954.1 Ų54.19%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-137.5130.3179.6-56.7173.2-73.800111.1V293 L430 A431 G432 V451 I461 F468V293-M453 HydrophobicContact CG1-CE 3.97Å; L430-M453 HydrophobicContact CD1-CE 3.6Å; L430-M453 HydrophobicContact CG-CE 3.8Å; L430-M453 WeakPolarHBondContact O-CE 3.49Å; L430-M453 PolarHBondContact O-N 3.13Å; L430-M453 VanDerWaalsContact O-N 3.1Å; A431-M453 CarbonylContact C-O 3.59Å; A431-M453 WeakPolarHBondContact CA-O 3.48Å; A431-M453 HydrophobicContact CB-CE 4.4Å; G432-M453 PolarHBondContact N-O 3Å; V451-M453 VanDerWaalsContact C-N 3.32Å; V451-M453 WeakPolarHBondContact CG2-O 3.26Å; V451-M453 PolarHBondContact O-N 3.03Å; M453-I461 HydrophobicContact CB-CD1 3.66Å; M453-F468 HydrophobicContact CE-CD1 4.25Å; M453-F468 HydrophobicContact CE-CD2 3.88Å; M453-F468 HydrophobicContact CE-CE1 4.1Å; M453-F468 HydrophobicContact CE-CE2 3.74Å; M453-F468 HydrophobicContact CE-CG 4.16Å; M453-F468 HydrophobicContact CE-CZ 3.86Å; M453-F468 HydrophobicContact SD-CB 4.26Å; M453-F468 HydrophobicContact SD-CD1 4.48Å; M453-F468 HydrophobicContact SD-CD2 3.49Å; M453-F468 WeakPolarHBondContact SD-CD2 3.25Å; M453-F468 HydrophobicContact SD-CE2 3.92Å; M453-F468 HydrophobicContact SD-CG 3.84Å
454T98.2Very high97.1Very high43 Ų4348.5 Ų48.526%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-121.2124.3-178-54.90000111.2G432 F434 L449 V451 I456G432-T454 CarbonylContact O-C 3.58Å; G432-T454 VanDerWaalsContact O-CA 3.31Å; G432-T454 WeakPolarHBondContact O-CA 3.32Å; F434-T454 HydrophobicContact CD1-CG2 3.93Å; F434-T454 HydrophobicContact CE1-CG2 3.65Å; L449-T454 HydrophobicContact CD1-CG2 4.29Å; V451-T454 VanDerWaalsContact CG2-OG1 3.29Å; V451-T454 WeakPolarHBondContact CG2-OG1 3.31Å; T454-I456 HydrophobicContact CG2-CG1 4.01Å
455G98.3Very high97.2Very high1 Ų148 Ų481%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-95121.6170.500000111.4G432 Y433 F434 E458G432-G455 PolarHBondContact O-N 3.14Å; Y433-G455 CarbonylContact C-O 3.53Å; Y433-G455 VanDerWaalsContact CA-O 3.31Å; Y433-G455 WeakPolarHBondContact CA-O 3.47Å; F434-G455 PolarHBondContact N-O 2.96Å; G455-E458 CarbonylContact C-O 3.52Å; G455-E458 VanDerWaalsContact CA-O 3.24Å; G455-E458 WeakPolarHBondContact CA-O 3.43Å
456I98.3Very high97.2Very high59 Ų5950 Ų5030%0.30327%0.266SS..EExtended strand (participates in β ladder)trans-116.7111-176.9-52.1174000107.2F434 I442 A446 T454 E458F434-I456 HydrophobicContact CD1-CG1 4.38Å; F434-I456 HydrophobicContact CD2-CG2 4.5Å; F434-I456 HydrophobicContact CE1-CB 4.49Å; F434-I456 HydrophobicContact CE1-CD1 4.11Å; F434-I456 HydrophobicContact CE1-CG1 3.6Å; F434-I456 HydrophobicContact CE1-CG2 4.48Å; F434-I456 HydrophobicContact CE2-CG1 4.44Å; F434-I456 HydrophobicContact CE2-CG2 3.8Å; F434-I456 HydrophobicContact CZ-CB 4.24Å; F434-I456 HydrophobicContact CZ-CD1 3.88Å; F434-I456 HydrophobicContact CZ-CG1 3.63Å; F434-I456 HydrophobicContact CZ-CG2 3.79Å; F434-I456 WeakPolarHBondContact O-CA 3.47Å; I442-I456 HydrophobicContact CD1-CG2 4.32Å; I442-I456 HydrophobicContact CG1-CG2 4.04Å; I442-I456 HydrophobicContact CG2-CD1 4.02Å; I442-I456 HydrophobicContact CG2-CG2 3.78Å; A446-I456 HydrophobicContact CB-CD1 3.75Å; T454-I456 HydrophobicContact CG2-CG1 4.01Å; I456-E458 PolarHBondContact O-N 3.26Å
457N98.4Very high97.3Very high63 Ų6350.1 Ų50.134%0.33727%0.267SS..SBendtrans55.617.2-170.2-57.3-47.9000114F434 Y435 S436F434-N457 PolarHBondContact O-N 3.2Å; Y435-N457 VanDerWaalsContact CA-OD1 3.27Å; Y435-N457 WeakPolarHBondContact CA-OD1 3.47Å; Y435-N457 HydrophobicContact CD1-CB 4.22Å; Y435-N457 VanDerWaalsContact CE1-C 3.48Å; Y435-N457 VanDerWaalsContact CE1-CA 3.41Å; Y435-N457 HydrophobicContact CE1-CB 4.27Å; S436-N457 PolarHBondContact N-OD1 2.84Å; S436-N457 VanDerWaalsContact N-OD1 3.09Å; S436-N457 PolarHBondContact O-ND2 3.5Å; S436-N457 PolarHBondContact O-OD1 3.08Å
458E97.6Very high97.4Very high91 Ų9140.9 Ų40.943%0.42523%0.232SC..  trans-145.4138-176.117854.6-97.200109.2Y435 G455 I456 M460Y435-E458 PolarHBondContact OH-N 3.14Å; G455-E458 CarbonylContact C-O 3.52Å; G455-E458 VanDerWaalsContact CA-O 3.24Å; G455-E458 WeakPolarHBondContact CA-O 3.43Å; I456-E458 PolarHBondContact O-N 3.26Å; E458-M460 WeakPolarHBondContact OE1-CB 3.15Å; E458-M460 PolarHBondContact OE1-N 2.97Å
459A95.2Very high97.3Very high2 Ų237.1 Ų37.12%0.01721%0.213CC..SBendtrans-107.1-25.8-179.800000112.7G279 L282 Y433 I461G279-A459 WeakPolarHBondContact O-CB 3.26Å; L282-A459 HydrophobicContact CB-CB 4.13Å; Y433-A459 VanDerWaalsContact CE1-O 3.28Å; Y433-A459 WeakPolarHBondContact CE1-O 3.36Å; A459-I461 PolarHBondContact O-N 3.18Å
460M93.6Very high97.3Very high87 Ų8737 Ų3743%0.42921%0.213SC..  trans-92.673.7-178.6-68-64.5-62.700110.6L282 E458L282-M460 HydrophobicContact CD1-CG 4.44Å; E458-M460 WeakPolarHBondContact OE1-CB 3.15Å; E458-M460 PolarHBondContact OE1-N 2.97Å
461I95.8Very high97.3Very high34 Ų3437.9 Ų37.917%0.17422%0.216CC..  trans-88.4-12.5-172.363.8-178.4000114.7A431 Y433 M453 A459A431-I461 HydrophobicContact CB-CD1 4.01Å; Y433-I461 HydrophobicContact CE1-CD1 3.91Å; Y433-I461 HydrophobicContact CE1-CG1 4.33Å; Y433-I461 HydrophobicContact CE1-CG2 4.03Å; M453-I461 HydrophobicContact CB-CD1 3.66Å; A459-I461 PolarHBondContact O-N 3.18Å
462S95.9Very high97.2Very high27 Ų2741.7 Ų41.719%0.18923%0.232CC..  trans-90122.7-171.1-163.50000111.5Y111 F468Y111-S462 PolarHBondContact OH-OG 3.29Å; S462-F468 VanDerWaalsContact OG-CD2 3.24Å; S462-F468 WeakPolarHBondContact OG-CD2 3.48Å; S462-F468 WeakPolarHBondContact OG-CE2 3.49Å
463T97.1Very high97.2Very high57 Ų5744 Ų4435%0.3524%0.236SC..  trans-147.7167.3178.1-161.50000110.8E465 A466T463-E465 VanDerWaalsContact C-N 3.3Å; T463-E465 WeakPolarHBondContact CB-OE2 3.44Å; T463-E465 HydrophobicContact CG2-CB 4.11Å; T463-E465 VanDerWaalsContact CG2-OE2 3.29Å; T463-E465 WeakPolarHBondContact CG2-OE2 3.47Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 PolarHBondContact OG1-OE2 2.93Å; T463-A466 HydrophobicContact CG2-CB 3.73Å
464C97.7Very high97.2Very high6 Ų643 Ų434%0.04123%0.231CC..SBendtrans-74.6-21.2-178.165.30000113.7F115 W118 A481F115-C464 HydrophobicContact CD1-CB 3.74Å; F115-C464 HydrophobicContact CE1-CB 3.79Å; F115-C464 HydrophobicContact CG-CB 4.49Å; W118-C464 HydrophobicContact CB-CB 3.93Å; W118-C464 HydrophobicContact CG-CB 4.06Å; W118-C464 PolarHBondContact NE1-O 2.98Å; C464-A481 WeakPolarHBondContact O-CA 3.26Å; C464-A481 PolarHBondContact O-N 2.91Å
465E97.8Very high97.2Very high100 Ų10041.4 Ų41.447%0.46722%0.223SC..SBendtrans-80.6-29.5-178.6-60.881.2172.500113W118 T463 A481W118-E465 HydrophobicContact CE3-CG 3.97Å; W118-E465 HydrophobicContact CH2-CB 4.07Å; W118-E465 HydrophobicContact CH2-CG 3.84Å; W118-E465 HydrophobicContact CZ2-CB 4.49Å; W118-E465 HydrophobicContact CZ3-CB 4.24Å; W118-E465 HydrophobicContact CZ3-CG 3.5Å; T463-E465 VanDerWaalsContact C-N 3.3Å; T463-E465 WeakPolarHBondContact CB-OE2 3.44Å; T463-E465 HydrophobicContact CG2-CB 4.11Å; T463-E465 VanDerWaalsContact CG2-OE2 3.29Å; T463-E465 WeakPolarHBondContact CG2-OE2 3.47Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 PolarHBondContact OG1-OE2 2.93Å; E465-A481 VanDerWaalsContact O-CB 3.26Å; E465-A481 WeakPolarHBondContact O-CB 3.33Å
466A97.9Very high97.1Very high44 Ų4445.3 Ų45.336%0.36424%0.243SC..SBendtrans-100.3144.2-174.700000110.9T463 F468 A480T463-A466 HydrophobicContact CG2-CB 3.73Å; A466-F468 PolarHBondContact O-N 3.35Å; A466-A480 VanDerWaalsContact O-CB 3.26Å; A466-A480 WeakPolarHBondContact O-CB 3.42Å
467A97.7Very high97.1Very high34 Ų3443.6 Ų43.628%0.28124%0.24SC..  trans-65.7132.8178.100000109.6R478 A481 I483A467-R478 HydrophobicContact CB-CB 4.4Å; A467-R478 HydrophobicContact CB-CG 4.43Å; A467-A481 HydrophobicContact CB-CB 4.32Å; A467-I483 HydrophobicContact CB-CD1 4.12Å
468F98.3Very high97Very high7 Ų743.8 Ų43.83%0.03124%0.236CC..BIsolated β-bridgetrans-105.8133.5173.4-166.4-80.2000108.4R165 E258 V293 L430 M453 S462 A466 R478 E479 A480R165-F468 VanDerWaalsContact NH1-CE1 3.26Å; R165-F468 VanDerWaalsContact NH1-CG 3.28Å; E258-F468 HydrophobicContact CG-CD1 4.41Å; E258-F468 WeakPolarHBondContact OE2-CD1 3.44Å; E258-F468 VanDerWaalsContact OE2-CE1 3.23Å; E258-F468 WeakPolarHBondContact OE2-CE1 3.2Å; V293-F468 HydrophobicContact CG1-CE2 3.97Å; V293-F468 HydrophobicContact CG1-CZ 3.76Å; L430-F468 HydrophobicContact CD1-CE1 4.15Å; M453-F468 HydrophobicContact CE-CD1 4.25Å; M453-F468 HydrophobicContact CE-CD2 3.88Å; M453-F468 HydrophobicContact CE-CE1 4.1Å; M453-F468 HydrophobicContact CE-CE2 3.74Å; M453-F468 HydrophobicContact CE-CG 4.16Å; M453-F468 HydrophobicContact CE-CZ 3.86Å; M453-F468 HydrophobicContact SD-CB 4.26Å; M453-F468 HydrophobicContact SD-CD1 4.48Å; M453-F468 HydrophobicContact SD-CD2 3.49Å; M453-F468 WeakPolarHBondContact SD-CD2 3.25Å; M453-F468 HydrophobicContact SD-CE2 3.92Å; M453-F468 HydrophobicContact SD-CG 3.84Å; S462-F468 VanDerWaalsContact OG-CD2 3.24Å; S462-F468 WeakPolarHBondContact OG-CD2 3.48Å; S462-F468 WeakPolarHBondContact OG-CE2 3.49Å; A466-F468 PolarHBondContact O-N 3.35Å; F468-R478 CarbonylContact O-C 3.58Å; F468-R478 WeakPolarHBondContact O-CA 3.44Å; F468-E479 HydrophobicContact CB-CB 4.36Å; F468-E479 PolarHBondContact N-O 3Å; F468-E479 PolarHBondContact O-N 3.37Å; F468-A480 HydrophobicContact CB-CB 4.16Å
469G96.9Very high97Very high0 Ų039.7 Ų39.70%022%0.217CC..  trans152.4164.617500000113.1E258 G452E258-G469 WeakPolarHBondContact OE1-CA 3.4Å; E258-G469 WeakPolarHBondContact OE2-CA 3.43Å; G452-G469 WeakPolarHBondContact CA-O 3.4Å
470G96.6Very high97.1Very high3 Ų339.7 Ų39.73%0.03122%0.216CC..  trans-104.7176.8-170.800000115.7G429 R478G429-G470 CarbonylContact O-C 3.51Å; G429-G470 VanDerWaalsContact O-CA 3.3Å; G429-G470 WeakPolarHBondContact O-CA 3.46Å; G470-R478 VanDerWaalsContact O-CZ 3.28Å; G470-R478 PolarHBondContact O-NH1 3Å; G470-R478 PolarHBondContact O-NH2 3.12Å
471M97.3Very high97.3Very high84 Ų8435.7 Ų35.741%0.41420%0.197SC..EExtended strand (participates in β ladder)trans-111.6172.1163.3-61.7-179.3-17700109.3G429 V451 E473 S474G429-M471 PolarHBondContact N-O 3Å; G429-M471 PolarHBondContact O-N 2.9Å; V451-M471 WeakPolarHBondContact O-CE 3.24Å; M471-E473 PolarHBondContact O-N 2.9Å; M471-S474 WeakPolarHBondContact O-CB 3.5Å; M471-S474 PolarHBondContact O-N 3.49Å; M471-S474 VanDerWaalsContact O-N 3.08Å
472K97.3Very high97.3Very high90 Ų9038.8 Ų38.839%0.39121%0.211SC..EExtended strand (participates in β ladder)trans55.4-135.4178.6-54.7174.7166.7166.70111.1N424 V426 N427 D450 S474N424-K472 PolarHBondContact O-NZ 3.4Å; V426-K472 PolarHBondContact O-NZ 2.87Å; N427-K472 WeakPolarHBondContact O-CB 3.24Å; D450-K472 HydrophobicContact CB-CD 4.35Å; D450-K472 VanDerWaalsContact CB-CE 3.46Å; D450-K472 VanDerWaalsContact OD2-CE 3.28Å; D450-K472 WeakPolarHBondContact OD2-CE 3.32Å; D450-K472 IonicContact OD2-NZ 3.98Å; D450-K472 PolarHBondContact OD2-NZ 2.92Å; K472-S474 PolarHBondContact O-N 2.89Å
473E97.8Very high97.3Very high72 Ų7240.3 Ų40.334%0.33622%0.216SC..THydrogen-bonded Turntrans-81.98.9179-54.7-165.4152.500113.9T238 K242 L259 N427 M471 G475T238-E473 HydrophobicContact CG2-CB 3.87Å; T238-E473 PolarHBondContact OG1-O 2.88Å; K242-E473 VanDerWaalsContact CE-OE1 3.3Å; K242-E473 WeakPolarHBondContact CE-OE1 3.26Å; K242-E473 WeakPolarHBondContact CE-OE2 3.35Å; K242-E473 IonicContact NZ-OE1 3.49Å; K242-E473 PolarHBondContact NZ-OE1 2.96Å; K242-E473 IonicContact NZ-OE2 3.17Å; K242-E473 PolarHBondContact NZ-OE2 2.99Å; L259-E473 WeakPolarHBondContact CD1-O 3.27Å; N427-E473 HydrophobicContact CB-CG 4.07Å; N427-E473 VanDerWaalsContact O-CB 3.3Å; N427-E473 WeakPolarHBondContact O-CB 3.38Å; N427-E473 PolarHBondContact O-N 3.42Å; M471-E473 PolarHBondContact O-N 2.9Å; E473-G475 PolarHBondContact O-N 3.19Å
474S98.3Very high97.3Very high0 Ų037.6 Ų37.60%020%0.2CC..THydrogen-bonded Turntrans-81.13171.7-69.10000113.6L259 G260 T428 G429 L430 M471 K472L259-S474 PolarHBondContact N-O 2.87Å; G260-S474 WeakPolarHBondContact O-CB 3.23Å; G260-S474 PolarHBondContact O-OG 3.34Å; T428-S474 WeakPolarHBondContact CA-OG 3.21Å; T428-S474 WeakPolarHBondContact CB-OG 3.43Å; G429-S474 PolarHBondContact N-OG 2.84Å; L430-S474 PolarHBondContact N-OG 3.44Å; L430-S474 VanDerWaalsContact N-OG 3.08Å; M471-S474 WeakPolarHBondContact O-CB 3.5Å; M471-S474 PolarHBondContact O-N 3.49Å; M471-S474 VanDerWaalsContact O-N 3.08Å; K472-S474 PolarHBondContact O-N 2.89Å
475G97.5Very high97.1Very high9 Ų937.8 Ų37.89%0.09320%0.2CC..EExtended strand (participates in β ladder)trans132.5-167.7162.800000115.6L257 E473L257-G475 CarbonylContact O-C 3.5Å; L257-G475 WeakPolarHBondContact O-CA 3.44Å; E473-G475 PolarHBondContact O-N 3.19Å
476L96.9Very high97Very high83 Ų8336.9 Ų36.944%0.43520%0.196SC..EExtended strand (participates in β ladder)trans-137.4136.2-175.1-66.8173.9000109.2L245 C256 L257L245-L476 HydrophobicContact CD1-CD1 4.13Å; L245-L476 HydrophobicContact CD2-CD1 3.86Å; C256-L476 WeakPolarHBondContact CA-O 3.12Å; L257-L476 HydrophobicContact CD1-CD1 4.17Å; L257-L476 HydrophobicContact CD1-CG 4.49Å; L257-L476 PolarHBondContact N-O 3.16Å; L257-L476 PolarHBondContact O-N 2.9Å
477G96.7Very high97Very high23 Ų2336.2 Ų36.224%0.23719%0.186CC..SBendtrans83.6-174.4-176.900000113.3E487G477-E487 WeakPolarHBondContact CA-OE1 3.41Å
478R97.4Very high97Very high67 Ų6734.8 Ų34.825%0.25317%0.173SC..  trans-134.8145.3175.9-64.4-66.1178.3-100.78.9110.7A467 F468 G470 I483 G484 E487A467-R478 HydrophobicContact CB-CB 4.4Å; A467-R478 HydrophobicContact CB-CG 4.43Å; F468-R478 CarbonylContact O-C 3.58Å; F468-R478 WeakPolarHBondContact O-CA 3.44Å; G470-R478 VanDerWaalsContact O-CZ 3.28Å; G470-R478 PolarHBondContact O-NH1 3Å; G470-R478 PolarHBondContact O-NH2 3.12Å; R478-I483 HydrophobicContact CB-CG2 3.9Å; R478-I483 HydrophobicContact CG-CG2 4.27Å; R478-G484 VanDerWaalsContact O-CA 3.25Å; R478-G484 WeakPolarHBondContact O-CA 3.47Å; R478-E487 PolarHBondContact N-OE1 3.31Å; R478-E487 WeakPolarHBondContact O-CG 3.29Å
479E97.8Very high96.8Very high5 Ų534.6 Ų34.62%0.02317%0.172CC..BIsolated β-bridgetrans-108174.8168.6-54.9-173.5145.900111R165 K166 E258 F468R165-E479 WeakPolarHBondContact CD-OE2 3.38Å; R165-E479 HydrophobicContact CG-CB 4.08Å; R165-E479 IonicContact CZ-OE2 3.64Å; R165-E479 IonicContact NE-OE2 3.55Å; R165-E479 IonicContact NH1-OE2 3.17Å; R165-E479 PolarHBondContact NH1-OE2 2.9Å; K166-E479 WeakPolarHBondContact CE-OE1 3.34Å; K166-E479 WeakPolarHBondContact CG-OE1 3.33Å; K166-E479 IonicContact NZ-OE1 2.95Å; K166-E479 PolarHBondContact NZ-OE1 2.86Å; E258-E479 HydrophobicContact CG-CG 3.71Å; E258-E479 WeakPolarHBondContact CG-OE2 3.42Å; F468-E479 HydrophobicContact CB-CB 4.36Å; F468-E479 PolarHBondContact N-O 3Å; F468-E479 PolarHBondContact O-N 3.37Å
480A97.4Very high96.7Very high1 Ų138.5 Ų38.51%0.00819%0.19CC..SBendtrans56.5-169.7-177.700000112.4F115 A466 F468 G484F115-A480 HydrophobicContact CE1-CB 3.62Å; F115-A480 HydrophobicContact CZ-CB 4.37Å; A466-A480 VanDerWaalsContact O-CB 3.26Å; A466-A480 WeakPolarHBondContact O-CB 3.42Å; F468-A480 HydrophobicContact CB-CB 4.16Å; A480-G484 VanDerWaalsContact O-CA 3.26Å; A480-G484 WeakPolarHBondContact O-CA 3.45Å; A480-G484 PolarHBondContact O-N 2.88Å
481A97.4Very high96.5Very high3 Ų342.6 Ų42.63%0.02521%0.21CC..THydrogen-bonded Turntrans51.2-168.7-171.700000113.3W118 F119 C464 E465 A467 I483W118-A481 PolarHBondContact NE1-O 3.49Å; F119-A481 WeakPolarHBondContact CE1-O 3.22Å; F119-A481 VanDerWaalsContact CZ-O 3.24Å; F119-A481 WeakPolarHBondContact CZ-O 3.32Å; C464-A481 WeakPolarHBondContact O-CA 3.26Å; C464-A481 PolarHBondContact O-N 2.91Å; E465-A481 VanDerWaalsContact O-CB 3.26Å; E465-A481 WeakPolarHBondContact O-CB 3.33Å; A467-A481 HydrophobicContact CB-CB 4.32Å; A481-I483 VanDerWaalsContact C-N 3.27Å; A481-I483 HydrophobicContact CB-CB 4.4Å; A481-I483 HydrophobicContact CB-CG1 4.39Å
482H95.5Very high96.4Very high100 Ų10043.7 Ų43.746%0.46321%0.212SC..THydrogen-bonded Turntrans-72.7-26.2163.362.6-80.2000111.1E122 G484 L485E122-H482 WeakPolarHBondContact OE2-CB 3.33Å; H482-G484 PolarHBondContact O-N 3.48Å; H482-L485 WeakPolarHBondContact O-CB 3.31Å; H482-L485 PolarHBondContact O-N 3.42Å; H482-L485 VanDerWaalsContact O-N 3.14Å
483I96Very high96.3Very high58 Ų5843.5 Ų43.530%0.29722%0.219SC..G310 helixtrans-62.7-39.7-177-55.4-176.4000111.5A467 R478 A481 L485 E486A467-I483 HydrophobicContact CB-CD1 4.12Å; R478-I483 HydrophobicContact CB-CG2 3.9Å; R478-I483 HydrophobicContact CG-CG2 4.27Å; A481-I483 VanDerWaalsContact C-N 3.27Å; A481-I483 HydrophobicContact CB-CB 4.4Å; A481-I483 HydrophobicContact CB-CG1 4.39Å; I483-L485 PolarHBondContact O-N 3.31Å; I483-L485 VanDerWaalsContact O-N 3.09Å; I483-E486 VanDerWaalsContact O-CB 3.22Å; I483-E486 WeakPolarHBondContact O-CB 3.37Å; I483-E486 WeakPolarHBondContact O-CG 3.26Å; I483-E486 PolarHBondContact O-N 3.12Å
484G96.5Very high96.3Very high1 Ų142.6 Ų42.61%0.0122%0.218CC..G310 helixtrans-65.7-13.3178.900000114.6R478 A480 H482 E486 Y488R478-G484 VanDerWaalsContact O-CA 3.25Å; R478-G484 WeakPolarHBondContact O-CA 3.47Å; A480-G484 VanDerWaalsContact O-CA 3.26Å; A480-G484 WeakPolarHBondContact O-CA 3.45Å; A480-G484 PolarHBondContact O-N 2.88Å; H482-G484 PolarHBondContact O-N 3.48Å; G484-E486 VanDerWaalsContact C-N 3.29Å; G484-Y488 VanDerWaalsContact O-CD2 3.29Å; G484-Y488 WeakPolarHBondContact O-CD2 2.86Å; G484-Y488 WeakPolarHBondContact O-CE2 3.3Å
485L95.1Very high96.2Very high9 Ų946 Ų465%0.04724%0.241CC..G310 helixtrans-69.6-30.6169.3-167.3142.7000111.4F119 E122 I126 A172 A173 H482 I483 E487 Y488 T489F119-L485 HydrophobicContact CD1-CD1 4.5Å; F119-L485 HydrophobicContact CE1-CB 4.26Å; E122-L485 HydrophobicContact CB-CD1 4.05Å; I126-L485 HydrophobicContact CB-CD2 4.41Å; I126-L485 HydrophobicContact CD1-CD1 3.94Å; I126-L485 HydrophobicContact CD1-CD2 4.05Å; I126-L485 HydrophobicContact CD1-CG 4.49Å; I126-L485 HydrophobicContact CG1-CD1 3.75Å; I126-L485 HydrophobicContact CG1-CD2 3.74Å; I126-L485 HydrophobicContact CG1-CG 4.39Å; I126-L485 HydrophobicContact CG2-CD2 4.03Å; A172-L485 HydrophobicContact CB-CD1 4.26Å; A173-L485 HydrophobicContact CB-CD2 4.5Å; A173-L485 HydrophobicContact CB-CG 4.32Å; H482-L485 WeakPolarHBondContact O-CB 3.31Å; H482-L485 PolarHBondContact O-N 3.42Å; H482-L485 VanDerWaalsContact O-N 3.14Å; I483-L485 PolarHBondContact O-N 3.31Å; I483-L485 VanDerWaalsContact O-N 3.09Å; L485-E487 VanDerWaalsContact C-N 3.27Å; L485-E487 PolarHBondContact O-N 2.99Å; L485-Y488 PolarHBondContact O-N 3.41Å; L485-Y488 VanDerWaalsContact O-N 3.15Å; L485-T489 HydrophobicContact CD2-CG2 3.72Å
486E95.3Very high96.2Very high82 Ų8249.7 Ų49.738%0.38326%0.258SS..G310 helixtrans-64.1-32.6-176.3-59-171.5-17900112.5I483 G484 Y488 T489I483-E486 VanDerWaalsContact O-CB 3.22Å; I483-E486 WeakPolarHBondContact O-CB 3.37Å; I483-E486 WeakPolarHBondContact O-CG 3.26Å; I483-E486 PolarHBondContact O-N 3.12Å; G484-E486 VanDerWaalsContact C-N 3.29Å; E486-Y488 PolarHBondContact O-N 3.42Å; E486-Y488 VanDerWaalsContact O-N 3.11Å; E486-T489 PolarHBondContact O-N 3.46Å; E486-T489 PolarHBondContact O-OG1 3.1Å
487E96.6Very high96.1Very high30 Ų3048 Ų4814%0.1426%0.261CS..G310 helixtrans-59.8-22.6176.9-60.8-57.2160.200113.5R254 C256 G477 R478 L485R254-E487 WeakPolarHBondContact CD-O 3.35Å; R254-E487 PolarHBondContact NE-O 3.34Å; C256-E487 HydrophobicContact CB-CB 4.47Å; C256-E487 HydrophobicContact CB-CG 4.43Å; G477-E487 WeakPolarHBondContact CA-OE1 3.41Å; R478-E487 PolarHBondContact N-OE1 3.31Å; R478-E487 WeakPolarHBondContact O-CG 3.29Å; L485-E487 VanDerWaalsContact C-N 3.27Å; L485-E487 PolarHBondContact O-N 2.99Å
488Y97.3Very high96Very high4 Ų450.9 Ų50.92%0.01629%0.29CS..G310 helixtrans-107.713.6-178.1-57.2-74.6000112.6P146 A147 A150 M152 A169 A170 C175 V231 S233 G484 L485 E486P146-Y488 WeakPolarHBondContact CA-O 3.2Å; A147-Y488 PolarHBondContact N-O 2.87Å; A150-Y488 HydrophobicContact CB-CD1 4.16Å; A150-Y488 HydrophobicContact CB-CE1 4.12Å; M152-Y488 HydrophobicContact CE-CE1 3.98Å; A169-Y488 HydrophobicContact CB-CD2 3.76Å; A169-Y488 HydrophobicContact CB-CE2 3.58Å; A170-Y488 HydrophobicContact CB-CD1 3.55Å; A170-Y488 HydrophobicContact CB-CD2 4.22Å; A170-Y488 HydrophobicContact CB-CE1 3.69Å; A170-Y488 HydrophobicContact CB-CE2 4.36Å; A170-Y488 HydrophobicContact CB-CG 3.83Å; C175-Y488 PolarHBondContact SG-O 2.93Å; V231-Y488 HydrophobicContact CB-CD1 4.42Å; V231-Y488 HydrophobicContact CG1-CD1 4.06Å; V231-Y488 HydrophobicContact CG1-CE1 3.98Å; V231-Y488 HydrophobicContact CG2-CD1 4.36Å; S233-Y488 PolarHBondContact OG-OH 3.33Å; G484-Y488 VanDerWaalsContact O-CD2 3.29Å; G484-Y488 WeakPolarHBondContact O-CD2 2.86Å; G484-Y488 WeakPolarHBondContact O-CE2 3.3Å; L485-Y488 PolarHBondContact O-N 3.41Å; L485-Y488 VanDerWaalsContact O-N 3.15Å; E486-Y488 PolarHBondContact O-N 3.42Å; E486-Y488 VanDerWaalsContact O-N 3.11Å
489T95.3Very high95.7Very high2 Ų254.4 Ų54.41%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-130154.9179.964.80000114I126 R144 Q145 A173 R254 L485 E486I126-T489 HydrophobicContact CG2-CG2 4.49Å; R144-T489 WeakPolarHBondContact CD-OG1 3.34Å; R144-T489 VanDerWaalsContact CG-CB 3.44Å; R144-T489 HydrophobicContact CG-CG2 3.74Å; R144-T489 WeakPolarHBondContact CG-OG1 3.48Å; R144-T489 PolarHBondContact NH1-OG1 3.36Å; Q145-T489 CarbonylContact O-C 3.58Å; Q145-T489 WeakPolarHBondContact O-CA 3.47Å; Q145-T489 VanDerWaalsContact O-CB 3.27Å; Q145-T489 WeakPolarHBondContact O-CB 3.28Å; A173-T489 HydrophobicContact CB-CG2 3.83Å; R254-T489 PolarHBondContact NH1-O 3.46Å; L485-T489 HydrophobicContact CD2-CG2 3.72Å; E486-T489 PolarHBondContact O-N 3.46Å; E486-T489 PolarHBondContact O-OG1 3.1Å
490E94Very high95.6Very high82 Ų8256.9 Ų56.938%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-112.8141.7171.3-69.4-59158.200111.1R144 Q145 A147 R254R144-E490 CarbonylContact C-O 3.5Å; R144-E490 WeakPolarHBondContact CA-O 3.47Å; Q145-E490 PolarHBondContact N-O 2.86Å; Q145-E490 PolarHBondContact O-N 3.42Å; A147-E490 HydrophobicContact CB-CG 4.36Å; R254-E490 VanDerWaalsContact CD-OE1 3.3Å; R254-E490 WeakPolarHBondContact CD-OE1 3.45Å; R254-E490 IonicContact CZ-OE1 3.8Å; R254-E490 IonicContact NE-OE1 3.99Å; R254-E490 IonicContact NH1-OE1 2.75Å; R254-E490 PolarHBondContact NH1-OE1 3.29Å; R254-E490 IonicContact NH1-OE2 3.3Å; R254-E490 PolarHBondContact NH1-OE2 2.95Å; R254-E490 VanDerWaalsContact NH1-OE2 3.14Å
491M93.9Very high95.5Very high89 Ų8959.8 Ų59.844%0.43835%0.345SS..EExtended strand (participates in β ladder)trans-93.9119.1173.6-72.9-66.4-8000109.7H142 F143 R144H142-M491 HydrophobicContact CB-CE 3.63Å; F143-M491 WeakPolarHBondContact O-CA 3.21Å; R144-M491 HydrophobicContact CB-SD 4.04Å; R144-M491 HydrophobicContact CG-SD 4.32Å
492K94.2Very high95.4Very high108 Ų10862.9 Ų62.947%0.4736%0.363SS..EExtended strand (participates in β ladder)trans-113.6120.8177.9179.4173.4-177.7173.50110.6F143 Q145F143-K492 HydrophobicContact CB-CB 4.44Å; F143-K492 PolarHBondContact N-O 3.28Å; F143-K492 PolarHBondContact O-N 3.38Å; Q145-K492 VanDerWaalsContact OE1-CD 3.27Å
493T96.3Very high95.4Very high85 Ų8560.8 Ų60.852%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-87.9134.9172.6-56.50000111F141 H142F141-T493 CarbonylContact O-C 3.57Å; F141-T493 VanDerWaalsContact O-CA 3.25Å; F141-T493 WeakPolarHBondContact O-CA 3.47Å; H142-T493 PolarHBondContact CD2-OG1 2.95Å; H142-T493 VanDerWaalsContact CD2-OG1 3.27Å
494V95.9Very high95.4Very high54 Ų5460.9 Ų60.933%0.32736%0.361SS..EExtended strand (participates in β ladder)trans-120.8125.3169.5176.80000108.3F141 F143F141-V494 HydrophobicContact CB-CB 4.4Å; F141-V494 HydrophobicContact CD2-CB 4.43Å; F141-V494 HydrophobicContact CD2-CG1 4.45Å; F141-V494 PolarHBondContact N-O 2.88Å; F141-V494 PolarHBondContact O-N 3.26Å; F143-V494 HydrophobicContact CD2-CB 4.28Å; F143-V494 HydrophobicContact CD2-CG2 3.67Å; F143-V494 HydrophobicContact CE2-CB 3.8Å; F143-V494 HydrophobicContact CE2-CG2 3.51Å
495C97.4Very high95.3Very high72 Ų7264.9 Ų64.949%0.48638%0.384SS..EExtended strand (participates in β ladder)trans-106115.9171.7-179.30000108.8Q139 L140Q139-C495 WeakPolarHBondContact O-CA 3.4Å; L140-C495 HydrophobicContact CD2-CB 3.67Å
496L96.7Very high95.3Very high85 Ų8568.9 Ų68.945%0.44541%0.408SS..EExtended strand (participates in β ladder)trans-97.7112.6173.2-18062.1000108.3R138 Q139 F141 L499R138-L496 CarbonylContact C-O 3.41Å; R138-L496 WeakPolarHBondContact CA-O 3.33Å; R138-L496 WeakPolarHBondContact CB-O 3.25Å; Q139-L496 HydrophobicContact CB-CB 4.45Å; Q139-L496 PolarHBondContact N-O 2.76Å; Q139-L496 PolarHBondContact O-N 2.99Å; F141-L496 HydrophobicContact CE2-CB 4.13Å; L496-L499 HydrophobicContact CD2-CD1 4.12Å; L496-L499 HydrophobicContact CD2-CD2 3.96Å; L496-L499 HydrophobicContact CD2-CG 4.4Å; L496-L499 HydrophobicContact CG-CD1 4.13Å; L496-L499 HydrophobicContact CG-CD2 4.16Å; L496-L499 HydrophobicContact CG-CG 4.23Å
497G95.8Very high95.3Very high48 Ų4867.9 Ų67.950%0.49541%0.41SS..EExtended strand (participates in β ladder)trans-106.1172.3174.900000112.5G137G137-G497 CarbonylContact O-C 3.59Å
498G93.9Very high95.2Very high83 Ų8371.1 Ų71.186%0.85643%0.432SS*.  trans80.127.4179.500000113.7G137G137-G498 PolarHBondContact O-N 2.96Å
499L91.5Very high95Very high141 Ų14177.2 Ų77.274%0.73847%0.47SS*.  trans-90.60-179.7-64.3175.6000113.2G137 Q139 L496G137-L499 WeakPolarHBondContact CA-O 3.03Å; G137-L499 PolarHBondContact O-N 3.03Å; G137-L499 VanDerWaalsContact O-N 3.14Å; Q139-L499 HydrophobicContact CB-CD1 3.84Å; Q139-L499 HydrophobicContact CG-CD1 3.29Å; L496-L499 HydrophobicContact CD2-CD1 4.12Å; L496-L499 HydrophobicContact CD2-CD2 3.96Å; L496-L499 HydrophobicContact CD2-CG 4.4Å; L496-L499 HydrophobicContact CG-CD1 4.13Å; L496-L499 HydrophobicContact CG-CD2 4.16Å; L496-L499 HydrophobicContact CG-CG 4.23Å

Retrieved 499 of 499 residues in 168.2 ms (Link to these results)

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