A0A5K4F2N9_SCHMA Loading...

Transmembrane protein 231

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

AlphaFold DB , UniProt , Accession A0A5K4F2N9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M63.6Low71.3Confident50 Ų5039.5 Ų39.525%0.24621%0.213CC..  0143.60-96.7161.4136.500109.2L107 L141 I143 I195M1-L107 HydrophobicContact CE-CD2 4.26Å; M1-L107 HydrophobicContact CG-CD2 3.75Å; M1-L141 HydrophobicContact CE-CD2 3.55Å; M1-L141 HydrophobicContact CE-CG 4.43Å; M1-L141 HydrophobicContact SD-CD2 4.08Å; M1-I143 HydrophobicContact CE-CD1 3.55Å; M1-I143 HydrophobicContact CE-CG1 3.3Å; M1-I143 HydrophobicContact CG-CD1 4.27Å; M1-I143 HydrophobicContact SD-CD1 4.13Å; M1-I143 HydrophobicContact SD-CG1 4.27Å; M1-I195 HydrophobicContact CE-CD1 4.17Å; M1-I195 HydrophobicContact CE-CG1 4.41Å
2G65.4Low71.6Confident11 Ų1136.6 Ų36.611%0.11320%0.197CC..  trans-81.9-163.2173.900000112.2G106G2-G106 CarbonylContact C-O 3.39Å; G2-G106 WeakPolarHBondContact CA-O 3.25Å; G2-G106 PolarHBondContact N-O 3.46Å
3P72.9Confident71.8Confident51 Ų5133.8 Ų33.833%0.33118%0.182SC..  trans-64.6139.6-179.728.7-34.2000110.9F5 G106P3-F5 HydrophobicContact CB-CE2 3.74Å; P3-F5 HydrophobicContact CB-CZ 3.81Å; P3-F5 HydrophobicContact CG-CE2 4.08Å; P3-F5 HydrophobicContact CG-CZ 4.43Å; P3-G106 PolarHBondContact O-N 3.49Å
4C76.2Confident72.2Confident5 Ų533.4 Ų33.43%0.03418%0.177CC..EExtended strand (participates in β ladder)trans-120.5134.2179.5-72.20000109.8Y58 I80 I103 T104 C105 L225C4-Y58 PolarHBondContact O-OH 3.4Å; C4-I80 HydrophobicContact CB-CD1 3.55Å; C4-I80 WeakPolarHBondContact O-CD1 3.17Å; C4-I103 HydrophobicContact CB-CD1 4.17Å; C4-I103 HydrophobicContact CB-CG1 4.44Å; C4-T104 WeakPolarHBondContact CA-O 3.2Å; C4-C105 HydrophobicContact CB-CB 4.09Å; C4-C105 WeakPolarHBondContact CB-SG 3.38Å; C4-C105 WeakPolarHBondContact SG-CB 3.4Å; C4-C105 CovalentContact SG-SG 2.02Å; C4-C105 PolarHBondContact SG-SG 2.97Å; C4-L225 HydrophobicContact CB-CD2 3.76Å; C4-L225 WeakPolarHBondContact SG-CD2 3.48Å
5F79.8Confident72.4Confident124 Ų12431.2 Ų31.254%0.54417%0.165SC..EExtended strand (participates in β ladder)trans-128121.5-175.8-58.4-77.8000109.5P3 T104P3-F5 HydrophobicContact CB-CE2 3.74Å; P3-F5 HydrophobicContact CB-CZ 3.81Å; P3-F5 HydrophobicContact CG-CE2 4.08Å; P3-F5 HydrophobicContact CG-CZ 4.43Å; F5-T104 PolarHBondContact N-O 2.7Å; F5-T104 PolarHBondContact O-N 3.39Å
6P76.3Confident72.7Confident15 Ų1531.1 Ų31.110%0.09716%0.162CC..EExtended strand (participates in β ladder)trans-73.4137.4171.628-29.7000110.5I8 Y58 I82 I101 P102P6-I8 HydrophobicContact CG-CG1 4.49Å; P6-I8 PolarHBondContact O-N 2.88Å; P6-I8 VanDerWaalsContact O-N 3.14Å; P6-Y58 VanDerWaalsContact CD-CZ 3.46Å; P6-Y58 HydrophobicContact CG-CD2 3.33Å; P6-Y58 HydrophobicContact CG-CE2 3.3Å; P6-Y58 HydrophobicContact CG-CG 4.04Å; P6-I82 HydrophobicContact CB-CD1 4.31Å; P6-I82 HydrophobicContact CG-CD1 4.36Å; P6-I101 HydrophobicContact CB-CG2 3.82Å; P6-P102 WeakPolarHBondContact CA-O 3.47Å
7E76Confident72.7Confident55 Ų5529.2 Ų29.226%0.25715%0.152SC..  trans-86.979.9175.5-63-173.4-17900109.6S9 Q10 S11 P102 T104E7-S9 PolarHBondContact O-N 3.06Å; E7-Q10 HydrophobicContact CB-CB 4.47Å; E7-Q10 PolarHBondContact O-N 3.14Å; E7-Q10 VanDerWaalsContact OE2-CD 3.29Å; E7-Q10 PolarHBondContact OE2-NE2 3.39Å; E7-Q10 PolarHBondContact OE2-OE1 2.88Å; E7-S11 PolarHBondContact O-N 3.29Å; E7-P102 HydrophobicContact CB-CB 4.26Å; E7-P102 PolarHBondContact N-O 3.41Å; E7-T104 PolarHBondContact OE1-OG1 2.81Å
8I68Low72.5Confident47 Ų4727.8 Ų27.824%0.24115%0.145CC..G310 helixtrans-57-35.3-174.2-59.5167.7000111.8P6 Q10 S11 L56P6-I8 HydrophobicContact CG-CG1 4.49Å; P6-I8 PolarHBondContact O-N 2.88Å; P6-I8 VanDerWaalsContact O-N 3.14Å; I8-Q10 PolarHBondContact O-N 2.94Å; I8-Q10 VanDerWaalsContact O-N 3.14Å; I8-S11 WeakPolarHBondContact O-CB 3.28Å; I8-S11 PolarHBondContact O-N 2.82Å; I8-S11 PolarHBondContact O-OG 3.44Å; I8-L56 HydrophobicContact CD1-CD2 3.79Å; I8-L56 HydrophobicContact CG1-CD2 4Å; I8-L56 HydrophobicContact CG2-CD2 3.96Å
9S63.9Low72.3Confident52 Ų5228.3 Ų28.336%0.36415%0.148SC..G310 helixtrans-64.6-1617856.10000114.3E7E7-S9 PolarHBondContact O-N 3.06Å
10Q69.7Low72Confident24 Ų2433.6 Ų33.611%0.11218%0.176CC..G310 helixtrans-112.512.6176.3-65.4177.939.400112.2E7 I8 F12 P102 M169E7-Q10 HydrophobicContact CB-CB 4.47Å; E7-Q10 PolarHBondContact O-N 3.14Å; E7-Q10 VanDerWaalsContact OE2-CD 3.29Å; E7-Q10 PolarHBondContact OE2-NE2 3.39Å; E7-Q10 PolarHBondContact OE2-OE1 2.88Å; I8-Q10 PolarHBondContact O-N 2.94Å; I8-Q10 VanDerWaalsContact O-N 3.14Å; Q10-F12 VanDerWaalsContact O-CD2 3.29Å; Q10-F12 WeakPolarHBondContact O-CD2 3.46Å; Q10-F12 VanDerWaalsContact O-CE2 3.24Å; Q10-F12 WeakPolarHBondContact O-CE2 3.22Å; Q10-P102 HydrophobicContact CB-CG 3.79Å; Q10-P102 VanDerWaalsContact O-CD 3.29Å; Q10-P102 WeakPolarHBondContact O-CD 3.14Å; Q10-M169 HydrophobicContact CG-CE 3.21Å; Q10-M169 HydrophobicContact CG-CG 4.5Å
11S73Confident71.6Confident0 Ų039 Ų390%020%0.201CC..  trans-84.6143.3179.866.50000112E7 I8 G31 F100E7-S11 PolarHBondContact O-N 3.29Å; I8-S11 WeakPolarHBondContact O-CB 3.28Å; I8-S11 PolarHBondContact O-N 2.82Å; I8-S11 PolarHBondContact O-OG 3.44Å; S11-G31 PolarHBondContact O-N 2.91Å; S11-F100 CarbonylContact C-O 3.59Å; S11-F100 VanDerWaalsContact CA-O 3.28Å; S11-F100 WeakPolarHBondContact CA-O 3.49Å
12F74.4Confident71.5Confident5 Ų542.6 Ų42.62%0.02222%0.221CC..EExtended strand (participates in β ladder)trans-128.3134.8175.9-59.1-93.2000109.4Q10 S30 M32 F100 M167 V172 L177Q10-F12 VanDerWaalsContact O-CD2 3.29Å; Q10-F12 WeakPolarHBondContact O-CD2 3.46Å; Q10-F12 VanDerWaalsContact O-CE2 3.24Å; Q10-F12 WeakPolarHBondContact O-CE2 3.22Å; F12-S30 WeakPolarHBondContact CD1-OG 3.36Å; F12-S30 WeakPolarHBondContact CE1-OG 3.41Å; F12-M32 HydrophobicContact CE1-CG 4.49Å; F12-M32 HydrophobicContact CE1-SD 4.1Å; F12-M32 HydrophobicContact CZ-CG 4.28Å; F12-M32 HydrophobicContact CZ-SD 3.85Å; F12-F100 HydrophobicContact CB-CB 4.27Å; F12-F100 PolarHBondContact N-O 3.28Å; F12-F100 PolarHBondContact O-N 3.37Å; F12-M167 HydrophobicContact CD2-CE 3.57Å; F12-M167 HydrophobicContact CD2-SD 4.14Å; F12-M167 HydrophobicContact CE2-CE 3.43Å; F12-M167 VanDerWaalsContact CE2-CE 3.43Å; F12-M167 HydrophobicContact CE2-SD 3.6Å; F12-M167 VanDerWaalsContact CE2-SD 3.6Å; F12-M167 HydrophobicContact CZ-SD 4.39Å; F12-V172 HydrophobicContact CE1-CG1 4.39Å; F12-V172 HydrophobicContact CZ-CG1 4.03Å; F12-L177 HydrophobicContact CD1-CD2 3.61Å; F12-L177 HydrophobicContact CE1-CD2 3.6Å; F12-L177 HydrophobicContact CG-CD2 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.47Å
13V74.7Confident71.1Confident0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans-123.3111.2175.7-177.80000106.2I15 W29 F43 I84 L99V13-I15 HydrophobicContact CG1-CG1 4.15Å; V13-W29 CarbonylContact C-O 3.6Å; V13-W29 HydrophobicContact CB-CB 4.22Å; V13-W29 PolarHBondContact N-O 3.43Å; V13-W29 CarbonylContact O-C 3.42Å; V13-W29 VanDerWaalsContact O-CA 3.31Å; V13-W29 WeakPolarHBondContact O-CA 3.41Å; V13-W29 WeakPolarHBondContact O-CB 3.2Å; V13-W29 PolarHBondContact O-N 2.88Å; V13-F43 HydrophobicContact CG2-CE1 4.36Å; V13-I84 HydrophobicContact CG2-CD1 3.95Å; V13-L99 HydrophobicContact CB-CD2 4.12Å; V13-L99 HydrophobicContact CG1-CD2 3.76Å; V13-L99 HydrophobicContact CG2-CD2 3.67Å
14W76.3Confident70.4Confident29 Ų2950.4 Ų50.411%0.1125%0.252CS..EExtended strand (participates in β ladder)trans-92.2131.1169.5-153-48.6000108.2S26 L28 K97 R98 I178W14-S26 WeakPolarHBondContact CZ2-OG 3.12Å; W14-S26 PolarHBondContact NE1-OG 3.39Å; W14-L28 HydrophobicContact CD2-CD1 3.78Å; W14-L28 HydrophobicContact CE3-CD1 3.5Å; W14-L28 VanDerWaalsContact CE3-CD1 3.5Å; W14-L28 HydrophobicContact CG-CD1 4.24Å; W14-L28 HydrophobicContact CZ3-CD1 3.94Å; W14-K97 CarbonylContact O-C 3.53Å; W14-K97 WeakPolarHBondContact O-CA 3.4Å; W14-K97 WeakPolarHBondContact O-CB 3.36Å; W14-R98 HydrophobicContact CB-CB 3.89Å; W14-R98 PolarHBondContact N-O 2.77Å; W14-R98 PolarHBondContact O-N 3.43Å; W14-I178 HydrophobicContact CH2-CD1 3.82Å; W14-I178 HydrophobicContact CH2-CG1 3.58Å; W14-I178 HydrophobicContact CZ3-CD1 4.43Å; W14-I178 HydrophobicContact CZ3-CG1 3.71Å
15I76.3Confident69.6Low0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-111.9130173.9-54.1169.3000108.8V13 T17 N27 W29 I86 I94V13-I15 HydrophobicContact CG1-CG1 4.15Å; I15-T17 HydrophobicContact CG2-CG2 4.04Å; I15-N27 PolarHBondContact N-O 2.88Å; I15-N27 PolarHBondContact O-N 3.07Å; I15-W29 HydrophobicContact CD1-CD2 4.32Å; I15-W29 HydrophobicContact CD1-CG 4.46Å; I15-I86 HydrophobicContact CD1-CB 4.42Å; I15-I86 HydrophobicContact CD1-CD1 3.41Å; I15-I86 VanDerWaalsContact CD1-CD1 3.41Å; I15-I86 HydrophobicContact CD1-CG1 3.85Å; I15-I86 HydrophobicContact CD1-CG2 3.88Å; I15-I86 HydrophobicContact CG1-CD1 4.12Å; I15-I94 HydrophobicContact CG2-CD1 4.45Å; I15-I94 HydrophobicContact CG2-CG1 4.08Å; I15-I94 HydrophobicContact CG2-CG2 3.78Å
16Y76.3Confident68.4Low29 Ų2950.8 Ų50.811%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-93.6122.2171.1-59.6-71000108.3M95 G96 R98 I127Y16-M95 PolarHBondContact O-N 3.2Å; Y16-G96 PolarHBondContact N-O 2.88Å; Y16-G96 PolarHBondContact O-N 3.16Å; Y16-R98 HydrophobicContact CE2-CB 4.2Å; Y16-I127 HydrophobicContact CD2-CD1 4.25Å; Y16-I127 HydrophobicContact CD2-CG1 3.88Å; Y16-I127 HydrophobicContact CE2-CD1 4.06Å; Y16-I127 HydrophobicContact CE2-CG1 3.99Å
17T72.7Confident67.5Low0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.2148.6177.956.90000109.9I15 I24 N25 L92 K93 I94I15-T17 HydrophobicContact CG2-CG2 4.04Å; T17-I24 CarbonylContact O-C 3.51Å; T17-I24 VanDerWaalsContact O-CA 3.26Å; T17-I24 WeakPolarHBondContact O-CA 3.48Å; T17-N25 PolarHBondContact N-O 3.19Å; T17-N25 PolarHBondContact O-N 3.44Å; T17-N25 PolarHBondContact OG1-O 3.02Å; T17-L92 HydrophobicContact CG2-CB 4.42Å; T17-K93 CarbonylContact C-O 3.59Å; T17-K93 VanDerWaalsContact CA-O 3.27Å; T17-K93 WeakPolarHBondContact CA-O 3.44Å; T17-I94 HydrophobicContact CG2-CG1 4.18Å
18A70.3Confident66.4Low3 Ų350.1 Ų50.13%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-114.5137.4167.400000109.2Q23 K93 M95A18-Q23 WeakPolarHBondContact CA-O 3.5Å; A18-K93 PolarHBondContact N-O 3.42Å; A18-K93 PolarHBondContact O-N 3.38Å; A18-K93 VanDerWaalsContact O-N 3.07Å; A18-M95 HydrophobicContact CB-CG 3.51Å; A18-M95 HydrophobicContact CB-SD 3.9Å
19D68.2Low65.8Low37 Ų3747.9 Ų47.920%0.19825%0.25CC..  trans-81.2179167.879.6-10000111.4Q21 N22 Q23 L92D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 VanDerWaalsContact O-N 3.12Å; D19-Q21 VanDerWaalsContact OD1-C 3.26Å; D19-Q21 VanDerWaalsContact OD1-CA 3.25Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.26Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 3.4Å; D19-N22 PolarHBondContact O-N 3.44Å; D19-N22 PolarHBondContact OD1-N 2.83Å; D19-Q23 PolarHBondContact N-O 3.29Å; D19-Q23 PolarHBondContact OD1-N 3.46Å; D19-L92 HydrophobicContact CB-CD2 4.39Å
20D66Low65.3Low134 Ų13445.8 Ų45.872%0.71724%0.235SC*.THydrogen-bonded Turntrans-63.6-14.6177.8-68.6-34000113.6
21Q63.9Low64.2Low149 Ų14944.7 Ų44.770%0.69623%0.23SC*.THydrogen-bonded Turntrans-93.77.1174-56.9-171.6-0.700112.8D19 Q23D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 VanDerWaalsContact O-N 3.12Å; D19-Q21 VanDerWaalsContact OD1-C 3.26Å; D19-Q21 VanDerWaalsContact OD1-CA 3.25Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.26Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 3.4Å; Q21-Q23 HydrophobicContact CB-CG 4.43Å; Q21-Q23 PolarHBondContact O-N 3.28Å
22N60.9Low62.9Low124 Ų12448.6 Ų48.666%0.66325%0.249SC*.  trans57.421.6-171.5-70.8-29.7000114D19 I24D19-N22 PolarHBondContact O-N 3.44Å; D19-N22 PolarHBondContact OD1-N 2.83Å; N22-I24 PolarHBondContact O-N 2.83Å
23Q57.9Low61.1Low114 Ų11453.1 Ų53.153%0.53327%0.274SS..  trans-75.2120.7168.7-68.8-165.4-3.100108.8A18 D19 Q21 N25A18-Q23 WeakPolarHBondContact CA-O 3.5Å; D19-Q23 PolarHBondContact N-O 3.29Å; D19-Q23 PolarHBondContact OD1-N 3.46Å; Q21-Q23 HydrophobicContact CB-CG 4.43Å; Q21-Q23 PolarHBondContact O-N 3.28Å; Q23-N25 PolarHBondContact O-N 2.82Å
24I58.3Low59.3Low112 Ų11254.8 Ų54.857%0.57428%0.284SS*.EExtended strand (participates in β ladder)trans-77.8104.8179.6-59.6174000108.2T17 N22T17-I24 CarbonylContact O-C 3.51Å; T17-I24 VanDerWaalsContact O-CA 3.26Å; T17-I24 WeakPolarHBondContact O-CA 3.48Å; N22-I24 PolarHBondContact O-N 2.83Å
25N58.4Low57.2Low82 Ų8262.7 Ų62.744%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-95.8140.6169.5-72.8-23.3000109.4T17 Q23T17-N25 PolarHBondContact N-O 3.19Å; T17-N25 PolarHBondContact O-N 3.44Å; T17-N25 PolarHBondContact OG1-O 3.02Å; Q23-N25 PolarHBondContact O-N 2.82Å
26S54.8Low54.9Low55 Ų5573.6 Ų73.639%0.38536%0.361SS..EExtended strand (participates in β ladder)trans-115.3111.4-171.288.10000108.5W14W14-S26 WeakPolarHBondContact CZ2-OG 3.12Å; W14-S26 PolarHBondContact NE1-OG 3.39Å
27N56.8Low52.5Low26 Ų2679.6 Ų79.614%0.13940%0.395CS..EExtended strand (participates in β ladder)trans-101.5122.6179.4-69.6-19.4000108.7I15 L52I15-N27 PolarHBondContact N-O 2.88Å; I15-N27 PolarHBondContact O-N 3.07Å; N27-L52 HydrophobicContact CB-CD1 4.06Å; N27-L52 VanDerWaalsContact ND2-CD1 3.26Å; N27-L52 WeakPolarHBondContact ND2-CD1 3.49Å
28L53.1Low50.3Low30 Ų3084.6 Ų84.616%0.15743%0.425CS..EExtended strand (participates in β ladder)trans-92.3124.9179-178.784.3000109.9W14 V46 L177W14-L28 HydrophobicContact CD2-CD1 3.78Å; W14-L28 HydrophobicContact CE3-CD1 3.5Å; W14-L28 VanDerWaalsContact CE3-CD1 3.5Å; W14-L28 HydrophobicContact CG-CD1 4.24Å; W14-L28 HydrophobicContact CZ3-CD1 3.94Å; L28-V46 HydrophobicContact CD2-CG2 4.23Å; L28-L177 HydrophobicContact CD1-CD2 4.14Å; L28-L177 HydrophobicContact CD2-CB 4.37Å; L28-L177 HydrophobicContact CD2-CD1 3.42Å; L28-L177 VanDerWaalsContact CD2-CD1 3.42Å; L28-L177 HydrophobicContact CD2-CD2 3.61Å; L28-L177 HydrophobicContact CD2-CG 3.96Å; L28-L177 HydrophobicContact CG-CD2 4.46Å
29W56.2Low48.4Very low1 Ų193.3 Ų93.30%0.00447%0.47CS..EExtended strand (participates in β ladder)trans-109133.7168.6-77.728.9000110.8V13 I15 F43 L52 S53 G54 I86V13-W29 CarbonylContact C-O 3.6Å; V13-W29 HydrophobicContact CB-CB 4.22Å; V13-W29 PolarHBondContact N-O 3.43Å; V13-W29 CarbonylContact O-C 3.42Å; V13-W29 VanDerWaalsContact O-CA 3.31Å; V13-W29 WeakPolarHBondContact O-CA 3.41Å; V13-W29 WeakPolarHBondContact O-CB 3.2Å; V13-W29 PolarHBondContact O-N 2.88Å; I15-W29 HydrophobicContact CD1-CD2 4.32Å; I15-W29 HydrophobicContact CD1-CG 4.46Å; W29-F43 HydrophobicContact CB-CD1 4.34Å; W29-F43 HydrophobicContact CD2-CB 4.07Å; W29-F43 HydrophobicContact CE3-CB 3.29Å; W29-F43 HydrophobicContact CE3-CD1 4.28Å; W29-F43 AromaticContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CZ3-CB 3.69Å; W29-F43 HydrophobicContact CZ3-CG 4.38Å; W29-L52 HydrophobicContact CH2-CB 4.49Å; W29-L52 VanDerWaalsContact CZ2-C 3.42Å; W29-L52 HydrophobicContact CZ2-CB 3.42Å; W29-L52 VanDerWaalsContact CZ2-CB 3.42Å; W29-L52 WeakPolarHBondContact CZ2-O 3.36Å; W29-S53 WeakPolarHBondContact CH2-O 3.33Å; W29-G54 VanDerWaalsContact CH2-CA 3.42Å; W29-I86 HydrophobicContact CE3-CG1 4.35Å; W29-I86 HydrophobicContact CH2-CB 4.25Å; W29-I86 HydrophobicContact CH2-CG1 3.82Å; W29-I86 HydrophobicContact CH2-CG2 3.93Å; W29-I86 HydrophobicContact CZ2-CG2 4.14Å; W29-I86 HydrophobicContact CZ3-CG1 3.73Å
30S52.2Low46.6Very low7 Ų798.4 Ų98.45%0.04949%0.487CS..EExtended strand (participates in β ladder)trans-123.8136.1175.3-177.60000110.2F12 M32 F43F12-S30 WeakPolarHBondContact CD1-OG 3.36Å; F12-S30 WeakPolarHBondContact CE1-OG 3.41Å; S30-M32 PolarHBondContact O-N 3.36Å; S30-M32 WeakPolarHBondContact OG-CB 3.27Å; S30-M32 VanDerWaalsContact OG-CG 3.29Å; S30-M32 WeakPolarHBondContact OG-CG 3.35Å; S30-M32 PolarHBondContact OG-N 2.79Å; S30-F43 VanDerWaalsContact C-CD1 3.42Å; S30-F43 WeakPolarHBondContact O-CD1 3.48Å
31G47.3Very low45.4Very low1 Ų192.7 Ų92.71%0.0146%0.457CS..G310 helixtrans-74.83172.600000113.3S11 D33 V34S11-G31 PolarHBondContact O-N 2.91Å; G31-D33 PolarHBondContact O-N 3.38Å; G31-V34 WeakPolarHBondContact O-CG2 3.32Å
32M45.4Very low44.3Very low82 Ų8292 Ų9240%0.40445%0.454SS..G310 helixtrans-64.7-17.5-177.9-76.5-177.485.300113.8F12 S30 V172F12-M32 HydrophobicContact CE1-CG 4.49Å; F12-M32 HydrophobicContact CE1-SD 4.1Å; F12-M32 HydrophobicContact CZ-CG 4.28Å; F12-M32 HydrophobicContact CZ-SD 3.85Å; S30-M32 PolarHBondContact O-N 3.36Å; S30-M32 WeakPolarHBondContact OG-CB 3.27Å; S30-M32 VanDerWaalsContact OG-CG 3.29Å; S30-M32 WeakPolarHBondContact OG-CG 3.35Å; S30-M32 PolarHBondContact OG-N 2.79Å; M32-V172 HydrophobicContact SD-CG1 4.04Å
33D37.8Very low43.5Very low100 Ų10086.5 Ų86.554%0.53542%0.424SS..G310 helixtrans-98.19.9-173.1-123-8.7000115G31 K35 I44G31-D33 PolarHBondContact O-N 3.38Å; D33-K35 PolarHBondContact O-N 2.87Å; D33-I44 HydrophobicContact CB-CB 3.91Å; D33-I44 HydrophobicContact CB-CD1 3.86Å; D33-I44 HydrophobicContact CB-CG1 3.96Å
34V36.4Very low42.9Very low36 Ų3685.1 Ų85.122%0.21842%0.42CS..  trans-76.995.3179-172.80000109.7G31 W36 S41 E42G31-V34 WeakPolarHBondContact O-CG2 3.32Å; V34-W36 PolarHBondContact O-N 3.42Å; V34-S41 VanDerWaalsContact CG2-CB 3.5Å; V34-E42 WeakPolarHBondContact CG2-O 3.29Å
35K31.9Very low42.3Very low194 Ų19481 Ų8184%0.84340%0.401SS*.  trans-57.4122.6160.8-88.6-177.3179173.60108.9D33 N37D33-K35 PolarHBondContact O-N 2.87Å; K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 3.35Å
36W29.1Very low41.8Very low230 Ų23081.3 Ų81.387%0.87141%0.405SS*.SBendtrans-66.844.3-162.9-123.163.1000117.1V34V34-W36 PolarHBondContact O-N 3.42Å
37N24.6Very low41.4Very low155 Ų15584.8 Ų84.883%0.82942%0.416SS*.  trans-131.58.2-170.1-91.6-3.1000118.7K35K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 3.35Å
38T27.5Very low40.7Very low104 Ų10491.8 Ų91.864%0.63845%0.453SS*.SBendtrans-141.6144.517241.10000111R40T38-R40 CarbonylContact O-C 3.51Å; T38-R40 PolarHBondContact O-N 2.9Å; T38-R40 VanDerWaalsContact O-O 3.11Å; T38-R40 PolarHBondContact OG1-O 3.39Å
39L29.9Very low40.2Very low186 Ų18694.4 Ų94.497%0.97447%0.467SS*.SBendtrans-53.81.6168-83148000114.2
40R30.5Very low40.1Very low145 Ų145102.9 Ų102.955%0.54751%0.507SS..SBendtrans-114.7117.9165.8-97.6179.4174.3-173.9-2.5109T38T38-R40 CarbonylContact O-C 3.51Å; T38-R40 PolarHBondContact O-N 2.9Å; T38-R40 VanDerWaalsContact O-O 3.11Å; T38-R40 PolarHBondContact OG1-O 3.39Å
41S41.7Very low40Very low14 Ų14106.7 Ų106.710%0.09852%0.523CS..EExtended strand (participates in β ladder)trans-85.4107.7163.641.10000109.5V34 L56V34-S41 VanDerWaalsContact CG2-CB 3.5Å; S41-L56 PolarHBondContact O-N 3.48Å; S41-L56 PolarHBondContact OG-O 3.23Å; S41-L56 VanDerWaalsContact OG-O 3.13Å
42E39.3Very low40.3Very low133 Ų133107.2 Ų107.262%0.62153%0.525SS*.EExtended strand (participates in β ladder)trans-81.5128.1170.6-73.6-179.9170.200109.5V34V34-E42 WeakPolarHBondContact CG2-O 3.29Å
43F44.7Very low40.9Very low9 Ų9106.2 Ų106.24%0.03953%0.526CS..  trans-89.1133.8175.5-78-108.7000109.1V13 W29 S30 G54 L56V13-F43 HydrophobicContact CG2-CE1 4.36Å; W29-F43 HydrophobicContact CB-CD1 4.34Å; W29-F43 HydrophobicContact CD2-CB 4.07Å; W29-F43 HydrophobicContact CE3-CB 3.29Å; W29-F43 HydrophobicContact CE3-CD1 4.28Å; W29-F43 AromaticContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CZ3-CB 3.69Å; W29-F43 HydrophobicContact CZ3-CG 4.38Å; S30-F43 VanDerWaalsContact C-CD1 3.42Å; S30-F43 WeakPolarHBondContact O-CD1 3.48Å; F43-G54 PolarHBondContact N-O 3.41Å; F43-L56 HydrophobicContact CD2-CB 4.18Å; F43-L56 HydrophobicContact CE2-CB 3.35Å; F43-L56 HydrophobicContact CE2-CD1 3.92Å; F43-L56 HydrophobicContact CE2-CG 4.22Å; F43-L56 HydrophobicContact CZ-CB 4.09Å; F43-L56 HydrophobicContact CZ-CD1 3.76Å
44I44.6Very low42.1Very low85 Ų85101.8 Ų101.844%0.43650%0.504SS..EExtended strand (participates in β ladder)trans-107.7129.8178.5-54.3-177.1000108.2D33 V46D33-I44 HydrophobicContact CB-CB 3.91Å; D33-I44 HydrophobicContact CB-CD1 3.86Å; D33-I44 HydrophobicContact CB-CG1 3.96Å; I44-V46 PolarHBondContact O-N 3.43Å
45S45.3Very low43.6Very low25 Ų25100.3 Ų100.318%0.17550%0.496CS..EExtended strand (participates in β ladder)trans-57.4131.4171.5170.30000109.9E47S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 PolarHBondContact O-N 2.88Å; S45-E47 PolarHBondContact OG-N 2.92Å; S45-E47 PolarHBondContact OG-O 3.24Å
46V49.5Very low45.2Very low89 Ų8991.3 Ų91.354%0.53946%0.457SS..SBendtrans-74.3-19.1-179.4-178.10000112L28 I44L28-V46 HydrophobicContact CD2-CG2 4.23Å; I44-V46 PolarHBondContact O-N 3.43Å
47E45.4Very low47.1Very low129 Ų12982.1 Ų82.160%0.60343%0.425SS*.SBendtrans-105.3147.4173.9-69.7-178.6168.700110.3S45 N49S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 PolarHBondContact O-N 2.88Å; S45-E47 PolarHBondContact OG-N 2.92Å; S45-E47 PolarHBondContact OG-O 3.24Å; E47-N49 PolarHBondContact O-N 3.48Å
48D41.8Very low49.1Very low172 Ų17277.6 Ų77.692%0.9240%0.396SS*.SBendtrans-54.76.2-176.5-82.8-31.5000115.9Q50D48-Q50 PolarHBondContact O-N 3.14Å
49N44.2Very low51.1Low85 Ų8577.3 Ų77.346%0.45539%0.387SS..  trans-93.185.4177.6-79.1-13.4000110.4E47 F51E47-N49 PolarHBondContact O-N 3.48Å; N49-F51 HydrophobicContact CB-CD2 3.55Å; N49-F51 HydrophobicContact CB-CE2 3.63Å; N49-F51 VanDerWaalsContact CG-CE2 3.48Å; N49-F51 PolarHBondContact O-N 2.86Å
50Q53Low52.8Low179 Ų17972.1 Ų72.184%0.83637%0.365SS*.  trans-65.839.9173.6-68.8-178.2-18.300113.9D48D48-Q50 PolarHBondContact O-N 3.14Å
51F51.2Low54.5Low88 Ų8868 Ų6839%0.38635%0.353SS..  trans-87.8-9.7-174.5-63.3-55000114.3N49 V89 T90N49-F51 HydrophobicContact CB-CD2 3.55Å; N49-F51 HydrophobicContact CB-CE2 3.63Å; N49-F51 VanDerWaalsContact CG-CE2 3.48Å; N49-F51 PolarHBondContact O-N 2.86Å; F51-V89 WeakPolarHBondContact O-CA 3.4Å; F51-V89 WeakPolarHBondContact O-CB 3.35Å; F51-V89 WeakPolarHBondContact O-CG2 3.4Å; F51-V89 PolarHBondContact O-N 3.14Å; F51-T90 HydrophobicContact CB-CG2 4.07Å; F51-T90 HydrophobicContact CD1-CG2 3.31Å; F51-T90 HydrophobicContact CE1-CG2 3.93Å; F51-T90 HydrophobicContact CG-CG2 3.86Å
52L53.6Low55Low12 Ų1274.6 Ų74.66%0.06338%0.382CS..EExtended strand (participates in β ladder)trans-134.9132.9-178.7-65.7146.5000107.5N27 W29 I86 F87 N88N27-L52 HydrophobicContact CB-CD1 4.06Å; N27-L52 VanDerWaalsContact ND2-CD1 3.26Å; N27-L52 WeakPolarHBondContact ND2-CD1 3.49Å; W29-L52 HydrophobicContact CH2-CB 4.49Å; W29-L52 VanDerWaalsContact CZ2-C 3.42Å; W29-L52 HydrophobicContact CZ2-CB 3.42Å; W29-L52 VanDerWaalsContact CZ2-CB 3.42Å; W29-L52 WeakPolarHBondContact CZ2-O 3.36Å; L52-I86 HydrophobicContact CB-CG2 4.43Å; L52-I86 HydrophobicContact CD2-CG2 3.69Å; L52-F87 WeakPolarHBondContact CA-O 3.38Å; L52-N88 HydrophobicContact CD2-CB 3.98Å; L52-N88 VanDerWaalsContact CD2-OD1 3.28Å; L52-N88 WeakPolarHBondContact CD2-OD1 3.27Å
53S58Low55.6Low60 Ų6073.9 Ų73.942%0.4238%0.382SS..EExtended strand (participates in β ladder)trans-126.9150171.970.80000109.7W29 F87W29-S53 WeakPolarHBondContact CH2-O 3.33Å; S53-F87 PolarHBondContact N-O 3.36Å; S53-F87 WeakPolarHBondContact O-CA 2.9Å; S53-F87 WeakPolarHBondContact O-CB 3.15Å; S53-F87 PolarHBondContact O-N 2.98Å
54G63Low55.8Low8 Ų874.5 Ų74.58%0.08239%0.387CS..EExtended strand (participates in β ladder)trans-168.5165-175.100000115.3W29 F43 D85W29-G54 VanDerWaalsContact CH2-CA 3.42Å; F43-G54 PolarHBondContact N-O 3.41Å; G54-D85 CarbonylContact C-O 3.53Å; G54-D85 WeakPolarHBondContact CA-O 3.27Å
55S66.7Low56Low5 Ų573.1 Ų73.14%0.03538%0.383CS..EExtended strand (participates in β ladder)trans-128.1137.2-176.4560000110.7I84 D85S55-I84 WeakPolarHBondContact O-CA 3.42Å; S55-D85 PolarHBondContact N-O 3.49Å; S55-D85 PolarHBondContact O-N 3.27Å
56L66.1Low56.2Low5 Ų576.3 Ų76.33%0.02640%0.403CS..EExtended strand (participates in β ladder)trans-104.6127.3166.7-174.1144.2000108.6I8 S41 F43 I82 S83 I84I8-L56 HydrophobicContact CD1-CD2 3.79Å; I8-L56 HydrophobicContact CG1-CD2 4Å; I8-L56 HydrophobicContact CG2-CD2 3.96Å; S41-L56 PolarHBondContact O-N 3.48Å; S41-L56 PolarHBondContact OG-O 3.23Å; S41-L56 VanDerWaalsContact OG-O 3.13Å; F43-L56 HydrophobicContact CD2-CB 4.18Å; F43-L56 HydrophobicContact CE2-CB 3.35Å; F43-L56 HydrophobicContact CE2-CD1 3.92Å; F43-L56 HydrophobicContact CE2-CG 4.22Å; F43-L56 HydrophobicContact CZ-CB 4.09Å; F43-L56 HydrophobicContact CZ-CD1 3.76Å; L56-I82 HydrophobicContact CD1-CG2 3.96Å; L56-I82 HydrophobicContact CD2-CG2 4.36Å; L56-I82 HydrophobicContact CG-CG2 4.06Å; L56-S83 WeakPolarHBondContact CA-O 3.3Å; L56-I84 HydrophobicContact CD1-CD1 4.07Å; L56-I84 HydrophobicContact CD1-CG1 3.92Å; L56-I84 HydrophobicContact CG-CG1 4.25Å
57N68Low56.1Low36 Ų3677.2 Ų77.219%0.19340%0.396CS..EExtended strand (participates in β ladder)trans-113.3143.6167-44.1-57000108.9F59 S83N57-F59 HydrophobicContact CB-CD2 4.45Å; N57-F59 HydrophobicContact CB-CE2 3.54Å; N57-F59 HydrophobicContact CB-CZ 3.73Å; N57-S83 WeakPolarHBondContact CB-OG 2.92Å; N57-S83 PolarHBondContact N-O 2.96Å; N57-S83 PolarHBondContact ND2-OG 3.04Å; N57-S83 PolarHBondContact O-N 3.09Å
58Y67.2Low56Low60 Ų6077.1 Ų77.124%0.23541%0.407CS..EExtended strand (participates in β ladder)trans-123.2129.2177.9163.2-99.1000108.8C4 P6 I80 I82C4-Y58 PolarHBondContact O-OH 3.4Å; P6-Y58 VanDerWaalsContact CD-CZ 3.46Å; P6-Y58 HydrophobicContact CG-CD2 3.33Å; P6-Y58 HydrophobicContact CG-CE2 3.3Å; P6-Y58 HydrophobicContact CG-CG 4.04Å; Y58-I80 HydrophobicContact CD2-CG2 4.01Å; Y58-I80 HydrophobicContact CE2-CB 4.42Å; Y58-I80 HydrophobicContact CE2-CD1 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.16Å; Y58-I80 HydrophobicContact CE2-CG2 3.52Å; Y58-I82 HydrophobicContact CD2-CG1 4.13Å
59F70.2Confident55.8Low99 Ų9971.7 Ų71.743%0.43438%0.383SS..EExtended strand (participates in β ladder)trans-127.3132.7175.7-54.1-78.2000109.3N57 E81N57-F59 HydrophobicContact CB-CD2 4.45Å; N57-F59 HydrophobicContact CB-CE2 3.54Å; N57-F59 HydrophobicContact CB-CZ 3.73Å; F59-E81 HydrophobicContact CB-CB 4.38Å; F59-E81 PolarHBondContact N-O 3.43Å; F59-E81 PolarHBondContact O-N 3.32Å
60S65.1Low55.4Low76 Ų7677.3 Ų77.353%0.53140%0.403SS..EExtended strand (participates in β ladder)trans-106121.5168.6-177.10000107.9
61H65.5Low54.6Low60 Ų6075.7 Ų75.728%0.27840%0.4SS..EExtended strand (participates in β ladder)trans-105.5129.3178.4-60-72.7000109.2D63 V65 A79 E81H61-D63 VanDerWaalsContact C-N 3.33Å; H61-D63 WeakPolarHBondContact CB-O 3.32Å; H61-V65 HydrophobicContact CB-CG2 4.06Å; H61-V65 WeakPolarHBondContact CD2-CG2 3.31Å; H61-A79 PolarHBondContact N-O 3.47Å; H61-A79 PolarHBondContact O-N 3.35Å; H61-A79 VanDerWaalsContact O-N 3.07Å; H61-E81 IonicContact CD2-OE2 3.19Å; H61-E81 IonicContact CE1-OE2 3.76Å; H61-E81 IonicContact NE2-OE2 2.63Å; H61-E81 PolarHBondContact NE2-OE2 2.83Å
62E53.5Low53.6Low151 Ų15178.7 Ų78.771%0.70643%0.425SS*.SBendtrans-75.2-28.7173.3-66.1-162.6140.600112
63D50.5Low52.8Low118 Ų11881 Ų8163%0.63145%0.453SS*.SBendtrans-103.9152.4178.8-73.2-35.9000111.7H61 V65H61-D63 VanDerWaalsContact C-N 3.33Å; H61-D63 WeakPolarHBondContact CB-O 3.32Å; D63-V65 PolarHBondContact O-N 3.32Å
64P50.1Low51.9Low23 Ų2385.4 Ų85.415%0.14946%0.464CS..PPolyproline II helixtrans-64124.2177.426.8-35.2000110.3P66P64-P66 WeakPolarHBondContact O-CD 3.3Å
65V49.3Very low50.7Low56 Ų5690.4 Ų90.434%0.33949%0.488SS..PPolyproline II helixtrans-65.6117.7174.4-177.30000108.3H61 D63 W67 A79H61-V65 HydrophobicContact CB-CG2 4.06Å; H61-V65 WeakPolarHBondContact CD2-CG2 3.31Å; D63-V65 PolarHBondContact O-N 3.32Å; V65-W67 PolarHBondContact O-N 2.99Å; V65-A79 HydrophobicContact CG2-CB 4.37Å
66P47.9Very low49.6Very low92 Ų9296.2 Ų96.260%0.59752%0.519SS*.PPolyproline II helixtrans-67.3120.7-179.325.9-30.5000109.4P64P64-P66 WeakPolarHBondContact O-CD 3.3Å
67W47.3Very low48.9Very low107 Ų10799.2 Ų99.241%0.40553%0.53SS..PPolyproline II helixtrans-62.8152.2171.9-133.662.4000110.5V65 S69 F203V65-W67 PolarHBondContact O-N 2.99Å; W67-S69 PolarHBondContact O-N 3.33Å; W67-F203 HydrophobicContact CH2-CD2 4.1Å; W67-F203 HydrophobicContact CH2-CE1 4.17Å; W67-F203 AromaticContact CH2-CE2 3.51Å; W67-F203 HydrophobicContact CH2-CE2 3.51Å; W67-F203 AromaticContact CH2-CZ 3.55Å; W67-F203 HydrophobicContact CH2-CZ 3.55Å; W67-F203 AromaticContact CZ2-CD2 3.8Å; W67-F203 HydrophobicContact CZ2-CD2 3.8Å; W67-F203 AromaticContact CZ2-CE2 3.37Å; W67-F203 HydrophobicContact CZ2-CE2 3.37Å; W67-F203 AromaticContact CZ2-CZ 3.94Å; W67-F203 HydrophobicContact CZ2-CZ 3.94Å
68P43.1Very low48.7Very low127 Ų127102.2 Ų102.283%0.82554%0.542SS*.SBendtrans-7461.3164.132.4-32.8000109.8
69S38.1Very low48.8Very low58 Ų5899.4 Ų99.441%0.40653%0.531SS..SBendtrans-144.5138.9158.678.40000110.1W67 N71W67-S69 PolarHBondContact O-N 3.33Å; S69-N71 PolarHBondContact O-N 3.03Å
70K35.5Very low49.1Very low203 Ų20394.8 Ų94.888%0.88351%0.51SS*.  trans-66.511.1-174.6-77.4179.7173.5176.40114.6V72K70-V72 PolarHBondContact O-N 3.01Å
71N36.4Very low49.8Very low146 Ų14693.1 Ų93.178%0.78149%0.494SS*.  trans-89.3101.5-171-74.1-12.4000112S69S69-N71 PolarHBondContact O-N 3.03Å
72V31.5Very low50.4Low150 Ų15090.4 Ų90.491%0.90948%0.482SS*.  trans-37.4129.3164.6-176.20000112.8K70K70-V72 PolarHBondContact O-N 3.01Å
73G35.2Very low51.6Low62 Ų6283.5 Ų83.564%0.63945%0.45SS*.  trans135.258174.400000112.3L75G73-L75 PolarHBondContact O-N 3.32Å
74K39.1Very low52.8Low151 Ų15178 Ų7866%0.65742%0.421SS*.  trans-67.9103.4175.9-78.5-173.9175-171.30109.3
75L38.5Very low53.9Low114 Ų11478.4 Ų78.460%0.59742%0.422SS*.  trans-81.7121158.5-75.7153.2000107.2G73 Y77G73-L75 PolarHBondContact O-N 3.32Å; L75-Y77 VanDerWaalsContact C-N 3.34Å; L75-Y77 HydrophobicContact CB-CD2 3.75Å; L75-Y77 HydrophobicContact CB-CE2 3.16Å; L75-Y77 HydrophobicContact CD1-CE2 3.91Å; L75-Y77 HydrophobicContact CG-CE2 4.04Å; L75-Y77 PolarHBondContact O-N 3.5Å
76N44.4Very low54.9Low126 Ų12675.8 Ų75.867%0.67441%0.406SS*.  trans-72.788.1-179.9-72.3-10.8000109.7
77Y51.4Low55.9Low69 Ų6975.9 Ų75.927%0.27140%0.397SS..  trans-104.6139.1169.1-58.9-61.2000109.1L75 A79 P226L75-Y77 VanDerWaalsContact C-N 3.34Å; L75-Y77 HydrophobicContact CB-CD2 3.75Å; L75-Y77 HydrophobicContact CB-CE2 3.16Å; L75-Y77 HydrophobicContact CD1-CE2 3.91Å; L75-Y77 HydrophobicContact CG-CE2 4.04Å; L75-Y77 PolarHBondContact O-N 3.5Å; Y77-A79 PolarHBondContact O-N 3.32Å; Y77-P226 HydrophobicContact CD1-CB 4.33Å; Y77-P226 HydrophobicContact CE1-CB 4.11Å
78K63.1Low56.7Low99 Ų9971.5 Ų71.543%0.4338%0.382SS..EExtended strand (participates in β ladder)trans-58.7138.3162-68.3-171.9174.1-166.30107.5L225K78-L225 HydrophobicContact CB-CB 4.43Å; K78-L225 HydrophobicContact CB-CD1 4.23Å; K78-L225 WeakPolarHBondContact O-CB 3.15Å; K78-L225 WeakPolarHBondContact O-CD1 3.47Å; K78-L225 PolarHBondContact O-N 3.27Å
79A70.2Confident57.5Low0 Ų070 Ų700%037%0.37CS..EExtended strand (participates in β ladder)trans-125.7141.4-179.400000109.9H61 V65 Y77 I223H61-A79 PolarHBondContact N-O 3.47Å; H61-A79 PolarHBondContact O-N 3.35Å; H61-A79 VanDerWaalsContact O-N 3.07Å; V65-A79 HydrophobicContact CG2-CB 4.37Å; Y77-A79 PolarHBondContact O-N 3.32Å; A79-I223 CarbonylContact C-O 3.6Å; A79-I223 WeakPolarHBondContact CA-O 3.31Å
80I76.3Confident58.4Low2 Ų269.3 Ų69.31%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-105.2129.7167.1-75.6165.9000107.5C4 Y58 I82 I103 V222 I223 L225C4-I80 HydrophobicContact CB-CD1 3.55Å; C4-I80 WeakPolarHBondContact O-CD1 3.17Å; Y58-I80 HydrophobicContact CD2-CG2 4.01Å; Y58-I80 HydrophobicContact CE2-CB 4.42Å; Y58-I80 HydrophobicContact CE2-CD1 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.16Å; Y58-I80 HydrophobicContact CE2-CG2 3.52Å; I80-I82 HydrophobicContact CG2-CD1 4.25Å; I80-I82 HydrophobicContact CG2-CG1 3.94Å; I80-I103 HydrophobicContact CD1-CD1 4.02Å; I80-V222 CarbonylContact O-C 3.6Å; I80-V222 WeakPolarHBondContact O-CA 3.35Å; I80-I223 HydrophobicContact CB-CB 4.37Å; I80-I223 PolarHBondContact N-O 2.88Å; I80-I223 PolarHBondContact O-N 3.04Å; I80-L225 HydrophobicContact CB-CD1 4.48Å; I80-L225 HydrophobicContact CD1-CD1 4.02Å; I80-L225 HydrophobicContact CG1-CD1 3.94Å
81E79.4Confident59.8Low41 Ų4163.1 Ų63.119%0.19235%0.345CS..EExtended strand (participates in β ladder)trans-114.4126.2172.8-175.3177.4-175.600109.2F59 H61 T220 L221 V222F59-E81 HydrophobicContact CB-CB 4.38Å; F59-E81 PolarHBondContact N-O 3.43Å; F59-E81 PolarHBondContact O-N 3.32Å; H61-E81 IonicContact CD2-OE2 3.19Å; H61-E81 IonicContact CE1-OE2 3.76Å; H61-E81 IonicContact NE2-OE2 2.63Å; H61-E81 PolarHBondContact NE2-OE2 2.83Å; E81-T220 HydrophobicContact CG-CG2 4.07Å; E81-T220 WeakPolarHBondContact OE1-CG2 2.94Å; E81-L221 CarbonylContact C-O 3.57Å; E81-L221 WeakPolarHBondContact CA-O 3.43Å; E81-V222 HydrophobicContact CG-CG2 4.34Å
82I78.2Confident61.3Low3 Ų358.2 Ų58.22%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-118.9115174.2-59.1173.8000106.6P6 L56 Y58 I80 I84 I101 L221P6-I82 HydrophobicContact CB-CD1 4.31Å; P6-I82 HydrophobicContact CG-CD1 4.36Å; L56-I82 HydrophobicContact CD1-CG2 3.96Å; L56-I82 HydrophobicContact CD2-CG2 4.36Å; L56-I82 HydrophobicContact CG-CG2 4.06Å; Y58-I82 HydrophobicContact CD2-CG1 4.13Å; I80-I82 HydrophobicContact CG2-CD1 4.25Å; I80-I82 HydrophobicContact CG2-CG1 3.94Å; I82-I84 HydrophobicContact CG2-CD1 4.47Å; I82-I84 HydrophobicContact CG2-CG1 4.13Å; I82-I101 HydrophobicContact CD1-CD1 3.96Å; I82-I101 HydrophobicContact CD1-CG2 4.45Å; I82-I101 HydrophobicContact CG2-CD1 4.41Å; I82-L221 HydrophobicContact CB-CB 4.29Å; I82-L221 HydrophobicContact CD1-CD2 4.35Å; I82-L221 PolarHBondContact N-O 3.16Å; I82-L221 PolarHBondContact O-N 2.87Å
83S77.9Confident63.3Low7 Ų755.7 Ų55.75%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-105.9127.4175.665.70000109.4L56 N57 I219L56-S83 WeakPolarHBondContact CA-O 3.3Å; N57-S83 WeakPolarHBondContact CB-OG 2.92Å; N57-S83 PolarHBondContact N-O 2.96Å; N57-S83 PolarHBondContact ND2-OG 3.04Å; N57-S83 PolarHBondContact O-N 3.09Å; S83-I219 CarbonylContact C-O 3.57Å; S83-I219 VanDerWaalsContact CA-O 3.29Å; S83-I219 WeakPolarHBondContact CA-O 3.41Å
84I75.9Confident65.3Low2 Ų253.1 Ų53.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-119.8113.7177.6-48.3177.9000107.3V13 S55 L56 I82 I86 L99 I219V13-I84 HydrophobicContact CG2-CD1 3.95Å; S55-I84 WeakPolarHBondContact O-CA 3.42Å; L56-I84 HydrophobicContact CD1-CD1 4.07Å; L56-I84 HydrophobicContact CD1-CG1 3.92Å; L56-I84 HydrophobicContact CG-CG1 4.25Å; I82-I84 HydrophobicContact CG2-CD1 4.47Å; I82-I84 HydrophobicContact CG2-CG1 4.13Å; I84-I86 HydrophobicContact CG2-CD1 3.95Å; I84-I86 HydrophobicContact CG2-CG1 4.14Å; I84-L99 HydrophobicContact CD1-CD2 3.76Å; I84-I219 HydrophobicContact CB-CB 4.16Å; I84-I219 HydrophobicContact CB-CD1 4.4Å; I84-I219 HydrophobicContact CD1-CD1 4.45Å; I84-I219 PolarHBondContact N-O 2.81Å; I84-I219 PolarHBondContact O-N 3.27Å
85D72.3Confident67.1Low32 Ų3247.1 Ų47.117%0.17124%0.242CC..EExtended strand (participates in β ladder)trans-98.2123.5173.6-64.6-59.7000108.8G54 S55 F87 H218G54-D85 CarbonylContact C-O 3.53Å; G54-D85 WeakPolarHBondContact CA-O 3.27Å; S55-D85 PolarHBondContact N-O 3.49Å; S55-D85 PolarHBondContact O-N 3.27Å; D85-F87 HydrophobicContact CB-CE2 4.05Å; D85-F87 HydrophobicContact CB-CZ 4.15Å; D85-H218 IonicContact OD1-CE1 3.72Å; D85-H218 PolarHBondContact OD1-CE1 3.38Å; D85-H218 IonicContact OD1-CG 3.52Å; D85-H218 IonicContact OD1-ND1 2.82Å; D85-H218 PolarHBondContact OD1-ND1 2.74Å
86I72Confident69.1Low0 Ų041.7 Ų41.70%021%0.214CC..EExtended strand (participates in β ladder)trans-118.3113.9174.4-66140.9000108I15 W29 L52 I84 I94 S216 F217 I219I15-I86 HydrophobicContact CD1-CB 4.42Å; I15-I86 HydrophobicContact CD1-CD1 3.41Å; I15-I86 VanDerWaalsContact CD1-CD1 3.41Å; I15-I86 HydrophobicContact CD1-CG1 3.85Å; I15-I86 HydrophobicContact CD1-CG2 3.88Å; I15-I86 HydrophobicContact CG1-CD1 4.12Å; W29-I86 HydrophobicContact CE3-CG1 4.35Å; W29-I86 HydrophobicContact CH2-CB 4.25Å; W29-I86 HydrophobicContact CH2-CG1 3.82Å; W29-I86 HydrophobicContact CH2-CG2 3.93Å; W29-I86 HydrophobicContact CZ2-CG2 4.14Å; W29-I86 HydrophobicContact CZ3-CG1 3.73Å; L52-I86 HydrophobicContact CB-CG2 4.43Å; L52-I86 HydrophobicContact CD2-CG2 3.69Å; I84-I86 HydrophobicContact CG2-CD1 3.95Å; I84-I86 HydrophobicContact CG2-CG1 4.14Å; I86-I94 HydrophobicContact CG2-CD1 4.45Å; I86-S216 CarbonylContact O-C 3.47Å; I86-S216 WeakPolarHBondContact O-CA 3.37Å; I86-F217 HydrophobicContact CB-CB 4.34Å; I86-F217 HydrophobicContact CB-CD1 4.26Å; I86-F217 HydrophobicContact CD1-CD1 3.58Å; I86-F217 HydrophobicContact CD1-CE1 3.99Å; I86-F217 PolarHBondContact N-O 2.85Å; I86-F217 PolarHBondContact O-N 3.35Å; I86-I219 HydrophobicContact CD1-CD1 4.26Å
87F67.3Low71.1Confident95 Ų9535.7 Ų35.742%0.41718%0.181SC..EExtended strand (participates in β ladder)trans-88.7118.7173.2-57.4-77000109L52 S53 D85L52-F87 WeakPolarHBondContact CA-O 3.38Å; S53-F87 PolarHBondContact N-O 3.36Å; S53-F87 WeakPolarHBondContact O-CA 2.9Å; S53-F87 WeakPolarHBondContact O-CB 3.15Å; S53-F87 PolarHBondContact O-N 2.98Å; D85-F87 HydrophobicContact CB-CE2 4.05Å; D85-F87 HydrophobicContact CB-CZ 4.15Å
88N64.7Low72.6Confident15 Ų1535.2 Ų35.28%0.0818%0.179CC..EExtended strand (participates in β ladder)trans-87.1116.2175.7-156-1.2000109.9L52 T90 L92L52-N88 HydrophobicContact CD2-CB 3.98Å; L52-N88 VanDerWaalsContact CD2-OD1 3.28Å; L52-N88 WeakPolarHBondContact CD2-OD1 3.27Å; N88-T90 VanDerWaalsContact C-N 3.32Å; N88-T90 PolarHBondContact ND2-O 3.15Å; N88-T90 PolarHBondContact OD1-N 3.44Å; N88-T90 PolarHBondContact OD1-O 2.98Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å; N88-L92 PolarHBondContact ND2-N 3.09Å; N88-L92 PolarHBondContact ND2-O 2.9Å
89V59.8Low73.6Confident95 Ų9530.5 Ų30.558%0.57616%0.159SC*.SBendtrans-83.2-19.9179.4-168.30000110.5F51F51-V89 WeakPolarHBondContact O-CA 3.4Å; F51-V89 WeakPolarHBondContact O-CB 3.35Å; F51-V89 WeakPolarHBondContact O-CG2 3.4Å; F51-V89 PolarHBondContact O-N 3.14Å
90T57Low74.2Confident43 Ų4330.7 Ų30.726%0.26416%0.16SC..SBendtrans-116.2148.9175.3480000109.4F51 N88 L92F51-T90 HydrophobicContact CB-CG2 4.07Å; F51-T90 HydrophobicContact CD1-CG2 3.31Å; F51-T90 HydrophobicContact CE1-CG2 3.93Å; F51-T90 HydrophobicContact CG-CG2 3.86Å; N88-T90 VanDerWaalsContact C-N 3.32Å; N88-T90 PolarHBondContact ND2-O 3.15Å; N88-T90 PolarHBondContact OD1-N 3.44Å; N88-T90 PolarHBondContact OD1-O 2.98Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å; T90-L92 PolarHBondContact O-N 3.42Å; T90-L92 WeakPolarHBondContact OG1-CD1 3.38Å
91S65Low74.5Confident73 Ų7330.8 Ų30.851%0.5116%0.16SC..  trans-70.338.9-177.950.20000115
92L67.8Low74.8Confident43 Ų4328.8 Ų28.823%0.22515%0.151CC..  trans-72.2136.8179.8-67.9170.9000110.9T17 D19 N88 T90 I94T17-L92 HydrophobicContact CG2-CB 4.42Å; D19-L92 HydrophobicContact CB-CD2 4.39Å; N88-L92 PolarHBondContact ND2-N 3.09Å; N88-L92 PolarHBondContact ND2-O 2.9Å; T90-L92 PolarHBondContact O-N 3.42Å; T90-L92 WeakPolarHBondContact OG1-CD1 3.38Å; L92-I94 PolarHBondContact O-N 3.11Å
93K74.2Confident75.2Confident98 Ų9828.7 Ų28.743%0.42615%0.15SC..EExtended strand (participates in β ladder)trans-82.2118.4177.3-71.3175.2-175.8168.80109.1T17 A18 M95T17-K93 CarbonylContact C-O 3.59Å; T17-K93 VanDerWaalsContact CA-O 3.27Å; T17-K93 WeakPolarHBondContact CA-O 3.44Å; A18-K93 PolarHBondContact N-O 3.42Å; A18-K93 PolarHBondContact O-N 3.38Å; A18-K93 VanDerWaalsContact O-N 3.07Å; K93-M95 HydrophobicContact CB-SD 4.4Å; K93-M95 PolarHBondContact O-N 2.86Å
94I76.4Confident75.6Confident8 Ų829.3 Ų29.34%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-79115.4175.5-67.2166.6000108.4I15 T17 I86 L92 S131 I132 F217I15-I94 HydrophobicContact CG2-CD1 4.45Å; I15-I94 HydrophobicContact CG2-CG1 4.08Å; I15-I94 HydrophobicContact CG2-CG2 3.78Å; T17-I94 HydrophobicContact CG2-CG1 4.18Å; I86-I94 HydrophobicContact CG2-CD1 4.45Å; L92-I94 PolarHBondContact O-N 3.11Å; I94-S131 WeakPolarHBondContact O-CA 3.35Å; I94-I132 PolarHBondContact O-N 2.81Å; I94-F217 HydrophobicContact CB-CG 4.47Å; I94-F217 HydrophobicContact CD1-CB 3.35Å; I94-F217 HydrophobicContact CD1-CD1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.71Å; I94-F217 HydrophobicContact CG2-CD1 3.99Å; I94-F217 HydrophobicContact CG2-CD2 4.07Å; I94-F217 HydrophobicContact CG2-CE1 3.92Å; I94-F217 HydrophobicContact CG2-CE2 4.04Å; I94-F217 HydrophobicContact CG2-CG 4.06Å; I94-F217 HydrophobicContact CG2-CZ 3.96Å
95M78.1Confident76Confident25 Ų2529.2 Ų29.212%0.12315%0.153CC..EExtended strand (participates in β ladder)trans-95.9-19.4-176-60.2-61.4-68.500111.9Y16 A18 K93 S128 Q129Y16-M95 PolarHBondContact O-N 3.2Å; A18-M95 HydrophobicContact CB-CG 3.51Å; A18-M95 HydrophobicContact CB-SD 3.9Å; K93-M95 HydrophobicContact CB-SD 4.4Å; K93-M95 PolarHBondContact O-N 2.86Å; M95-S128 WeakPolarHBondContact CE-O 3.49Å; M95-S128 WeakPolarHBondContact O-CA 3.26Å; M95-S128 WeakPolarHBondContact O-CB 3.36Å; M95-S128 PolarHBondContact O-N 2.84Å; M95-Q129 WeakPolarHBondContact CE-O 3.44Å
96G80.1Confident76.4Confident0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans173.1-176.2-176.300000113.6Y16 F126Y16-G96 PolarHBondContact N-O 2.88Å; Y16-G96 PolarHBondContact O-N 3.16Å; G96-F126 CarbonylContact C-O 3.46Å; G96-F126 WeakPolarHBondContact CA-O 3.39Å
97K85.6Confident76.6Confident0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-153.7154.9-179.764.197.5-167.41540112.7W14 L99 N124 E125 F126 L135 I137 F217 I219W14-K97 CarbonylContact O-C 3.53Å; W14-K97 WeakPolarHBondContact O-CA 3.4Å; W14-K97 WeakPolarHBondContact O-CB 3.36Å; K97-L99 HydrophobicContact CD-CD1 3.9Å; K97-L99 HydrophobicContact CD-CD2 4.06Å; K97-L99 HydrophobicContact CD-CG 3.52Å; K97-L99 VanDerWaalsContact NZ-CG 3.3Å; K97-N124 VanDerWaalsContact NZ-CG 3.33Å; K97-N124 PolarHBondContact NZ-O 2.85Å; K97-N124 PolarHBondContact NZ-OD1 3.47Å; K97-E125 WeakPolarHBondContact O-CA 3.44Å; K97-F126 PolarHBondContact N-O 2.78Å; K97-F126 PolarHBondContact O-N 3.28Å; K97-L135 HydrophobicContact CD-CD2 4.01Å; K97-L135 HydrophobicContact CG-CD2 3.64Å; K97-I137 VanDerWaalsContact CE-CD1 3.42Å; K97-F217 HydrophobicContact CG-CZ 4.46Å; K97-I219 HydrophobicContact CB-CD1 4.38Å; K97-I219 HydrophobicContact CD-CD1 4.01Å; K97-I219 HydrophobicContact CG-CD1 4.01Å
98R83Confident76.6Confident58 Ų5830.6 Ų30.622%0.21916%0.156CC..EExtended strand (participates in β ladder)trans-125.3120.7167.2-172-176.6-82.8170.5-8.3108.9W14 Y16 F100 N124 E125W14-R98 HydrophobicContact CB-CB 3.89Å; W14-R98 PolarHBondContact N-O 2.77Å; W14-R98 PolarHBondContact O-N 3.43Å; Y16-R98 HydrophobicContact CE2-CB 4.2Å; R98-F100 HydrophobicContact CG-CD2 4.17Å; R98-F100 HydrophobicContact CG-CE2 3.57Å; R98-F100 HydrophobicContact CG-CZ 4.21Å; R98-N124 CarbonylContact C-O 3.57Å; R98-N124 WeakPolarHBondContact CA-O 3.29Å; R98-E125 HydrophobicContact CB-CB 4.47Å; R98-E125 HydrophobicContact CB-CG 4.29Å; R98-E125 HydrophobicContact CG-CB 4.13Å; R98-E125 HydrophobicContact CG-CG 4.3Å; R98-E125 IonicContact CZ-OE1 3.55Å; R98-E125 IonicContact CZ-OE2 3.45Å; R98-E125 IonicContact NE-OE1 3.85Å; R98-E125 PolarHBondContact NE-OE1 3.25Å; R98-E125 IonicContact NE-OE2 3.38Å; R98-E125 PolarHBondContact NE-OE2 2.95Å; R98-E125 IonicContact NH2-OE1 2.83Å; R98-E125 PolarHBondContact NH2-OE1 3.08Å; R98-E125 IonicContact NH2-OE2 2.85Å; R98-E125 PolarHBondContact NH2-OE2 2.76Å
99L84.1Confident76.6Confident0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-102.5138178-64.4172.8000110.4V13 I84 K97 W123 N124 I137 I219 L221V13-L99 HydrophobicContact CB-CD2 4.12Å; V13-L99 HydrophobicContact CG1-CD2 3.76Å; V13-L99 HydrophobicContact CG2-CD2 3.67Å; I84-L99 HydrophobicContact CD1-CD2 3.76Å; K97-L99 HydrophobicContact CD-CD1 3.9Å; K97-L99 HydrophobicContact CD-CD2 4.06Å; K97-L99 HydrophobicContact CD-CG 3.52Å; K97-L99 VanDerWaalsContact NZ-CG 3.3Å; L99-W123 WeakPolarHBondContact O-CA 3.47Å; L99-N124 PolarHBondContact N-O 3.01Å; L99-N124 PolarHBondContact O-N 3.27Å; L99-N124 VanDerWaalsContact O-N 3.15Å; L99-I137 HydrophobicContact CD1-CD1 4.38Å; L99-I219 HydrophobicContact CD1-CG2 4.44Å; L99-L221 HydrophobicContact CD1-CD2 4.49Å
100F83.2Confident76.4Confident5 Ų533.4 Ų33.42%0.02217%0.166CC..EExtended strand (participates in β ladder)trans-131.8108.3165.6-70.2-84.8000108.8S11 F12 R98 L121 I122 W123 L181 L185S11-F100 CarbonylContact C-O 3.59Å; S11-F100 VanDerWaalsContact CA-O 3.28Å; S11-F100 WeakPolarHBondContact CA-O 3.49Å; F12-F100 HydrophobicContact CB-CB 4.27Å; F12-F100 PolarHBondContact N-O 3.28Å; F12-F100 PolarHBondContact O-N 3.37Å; R98-F100 HydrophobicContact CG-CD2 4.17Å; R98-F100 HydrophobicContact CG-CE2 3.57Å; R98-F100 HydrophobicContact CG-CZ 4.21Å; F100-L121 HydrophobicContact CB-CD1 4.42Å; F100-L121 HydrophobicContact CD1-CD1 4.25Å; F100-L121 HydrophobicContact CD1-CD2 4.11Å; F100-L121 HydrophobicContact CD1-CG 4.47Å; F100-L121 HydrophobicContact CE1-CD2 4.49Å; F100-I122 CarbonylContact C-O 3.57Å; F100-I122 WeakPolarHBondContact CA-O 3.37Å; F100-W123 HydrophobicContact CD1-CB 4.31Å; F100-W123 AromaticContact CD1-CD1 3.71Å; F100-W123 HydrophobicContact CD1-CG 4.26Å; F100-W123 HydrophobicContact CE1-CB 4.27Å; F100-W123 AromaticContact CE1-CD1 3.18Å; F100-W123 AromaticContact CE1-CG 3.8Å; F100-W123 HydrophobicContact CE1-CG 3.8Å; F100-W123 AromaticContact CE1-NE1 3.74Å; F100-W123 AromaticContact CZ-CD1 3.36Å; F100-W123 HydrophobicContact CZ-CG 4.34Å; F100-W123 AromaticContact CZ-NE1 3.49Å; F100-L181 HydrophobicContact CB-CD2 4.07Å; F100-L181 HydrophobicContact CD1-CD2 3.75Å; F100-L181 HydrophobicContact CD2-CD1 4.04Å; F100-L181 HydrophobicContact CD2-CD2 3.54Å; F100-L181 HydrophobicContact CD2-CG 4.39Å; F100-L181 HydrophobicContact CE1-CD2 3.95Å; F100-L181 HydrophobicContact CE2-CB 4.48Å; F100-L181 HydrophobicContact CE2-CD1 3.7Å; F100-L181 HydrophobicContact CE2-CD2 3.72Å; F100-L181 HydrophobicContact CE2-CG 4.18Å; F100-L181 HydrophobicContact CG-CD2 3.52Å; F100-L181 HydrophobicContact CZ-CB 4.25Å; F100-L181 HydrophobicContact CZ-CD1 4.29Å; F100-L181 HydrophobicContact CZ-CD2 3.93Å; F100-L181 HydrophobicContact CZ-CG 4.39Å; F100-L185 HydrophobicContact CE1-CD1 3.76Å; F100-L185 HydrophobicContact CE1-CG 4.47Å; F100-L185 HydrophobicContact CZ-CD1 4.2Å
101I83.2Confident76.5Confident3 Ų339 Ų392%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-127.3107.4-179.7-53.1175.2000107.6P6 I82 I122 L221P6-I101 HydrophobicContact CB-CG2 3.82Å; I82-I101 HydrophobicContact CD1-CD1 3.96Å; I82-I101 HydrophobicContact CD1-CG2 4.45Å; I82-I101 HydrophobicContact CG2-CD1 4.41Å; I101-I122 HydrophobicContact CB-CB 4.12Å; I101-I122 HydrophobicContact CB-CD1 4.36Å; I101-I122 HydrophobicContact CG2-CD1 4.45Å; I101-I122 PolarHBondContact N-O 3.01Å; I101-I122 VanDerWaalsContact O-CB 3.3Å; I101-I122 WeakPolarHBondContact O-CB 2.93Å; I101-I122 PolarHBondContact O-N 3.44Å; I101-L221 HydrophobicContact CD1-CD2 4.45Å
102P84.4Confident76.1Confident0 Ų040.3 Ų40.30%020%0.196CC..EExtended strand (participates in β ladder)trans-63.6138.9170.7-19.733.6000109.6P6 E7 Q10 G120 L121 V166 M167P6-P102 WeakPolarHBondContact CA-O 3.47Å; E7-P102 HydrophobicContact CB-CB 4.26Å; E7-P102 PolarHBondContact N-O 3.41Å; Q10-P102 HydrophobicContact CB-CG 3.79Å; Q10-P102 VanDerWaalsContact O-CD 3.29Å; Q10-P102 WeakPolarHBondContact O-CD 3.14Å; P102-G120 WeakPolarHBondContact CA-O 3.43Å; P102-L121 HydrophobicContact CG-CD1 4.39Å; P102-V166 HydrophobicContact CB-CB 4.32Å; P102-V166 HydrophobicContact CB-CG2 4.25Å; P102-V166 HydrophobicContact CG-CB 4.46Å; P102-M167 HydrophobicContact CG-CE 4.27Å
103I86.7Confident75.7Confident0 Ų045.8 Ų45.80%022%0.22CC..EExtended strand (participates in β ladder)trans-132.7134.6-179.6-170.9165.9000110.2C4 I80 T119 G120 I122 L141 I195C4-I103 HydrophobicContact CB-CD1 4.17Å; C4-I103 HydrophobicContact CB-CG1 4.44Å; I80-I103 HydrophobicContact CD1-CD1 4.02Å; I103-T119 CarbonylContact O-C 3.58Å; I103-T119 WeakPolarHBondContact O-CA 3.41Å; I103-G120 PolarHBondContact N-O 3.12Å; I103-G120 PolarHBondContact O-N 3.42Å; I103-I122 HydrophobicContact CB-CD1 3.96Å; I103-I122 HydrophobicContact CB-CG1 4.45Å; I103-I122 HydrophobicContact CD1-CD1 3.89Å; I103-I122 HydrophobicContact CG2-CD1 4.04Å; I103-I122 HydrophobicContact CG2-CG1 4.02Å; I103-L141 HydrophobicContact CD1-CD1 4.22Å; I103-I195 HydrophobicContact CG2-CG2 4.2Å
104T86.4Confident75.2Confident21 Ų2142.5 Ų42.513%0.12921%0.206CC..EExtended strand (participates in β ladder)trans-115.7118.8179.6-56.70000109C4 F5 E7 N117 V118C4-T104 WeakPolarHBondContact CA-O 3.2Å; F5-T104 PolarHBondContact N-O 2.7Å; F5-T104 PolarHBondContact O-N 3.39Å; E7-T104 PolarHBondContact OE1-OG1 2.81Å; T104-N117 HydrophobicContact CG2-CB 4.19Å; T104-V118 WeakPolarHBondContact CA-O 3.49Å
105C84.6Confident75Confident0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-115.7134.1-178.6-71.30000111.5C4 L107 N117 V118 L141 I195C4-C105 HydrophobicContact CB-CB 4.09Å; C4-C105 WeakPolarHBondContact CB-SG 3.38Å; C4-C105 WeakPolarHBondContact SG-CB 3.4Å; C4-C105 CovalentContact SG-SG 2.02Å; C4-C105 PolarHBondContact SG-SG 2.97Å; C105-L107 PolarHBondContact O-N 2.93Å; C105-N117 WeakPolarHBondContact O-CA 3.02Å; C105-V118 PolarHBondContact N-O 3.26Å; C105-V118 PolarHBondContact O-N 3.25Å; C105-L141 VanDerWaalsContact SG-CD2 3.59Å; C105-I195 HydrophobicContact CB-CD1 3.45Å; C105-I195 VanDerWaalsContact CB-CD1 3.45Å
106G80.7Confident75.1Confident8 Ų843.9 Ų43.98%0.08222%0.218CC..EExtended strand (participates in β ladder)trans-77.8114.616800000110.7G2 P3 N117G2-G106 CarbonylContact C-O 3.39Å; G2-G106 WeakPolarHBondContact CA-O 3.25Å; G2-G106 PolarHBondContact N-O 3.46Å; P3-G106 PolarHBondContact O-N 3.49Å; G106-N117 WeakPolarHBondContact CA-OD1 3.2Å
107L75.3Confident75.2Confident5 Ų547 Ų473%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-86.4127.4166-61.3176.2000108.7M1 C105 S115 L116 V118 I143 L193 L230M1-L107 HydrophobicContact CE-CD2 4.26Å; M1-L107 HydrophobicContact CG-CD2 3.75Å; C105-L107 PolarHBondContact O-N 2.93Å; L107-S115 VanDerWaalsContact O-CA 3.3Å; L107-S115 WeakPolarHBondContact O-CA 3.26Å; L107-L116 WeakPolarHBondContact CA-O 3.4Å; L107-L116 WeakPolarHBondContact CB-O 3.3Å; L107-L116 PolarHBondContact N-O 2.72Å; L107-L116 PolarHBondContact O-N 3.44Å; L107-V118 HydrophobicContact CD1-CB 4.3Å; L107-V118 HydrophobicContact CD1-CG2 3.38Å; L107-V118 HydrophobicContact CG-CG2 4.01Å; L107-I143 HydrophobicContact CD1-CD1 4.48Å; L107-I143 HydrophobicContact CD2-CD1 3.66Å; L107-L193 HydrophobicContact CD1-CD2 3.74Å; L107-L230 HydrophobicContact CB-CD1 4.18Å; L107-L230 HydrophobicContact CD1-CD1 3.79Å; L107-L230 HydrophobicContact CD1-CD2 4.15Å; L107-L230 HydrophobicContact CD2-CD1 4.42Å; L107-L230 HydrophobicContact CG-CD1 4.36Å
108R69.1Low75.2Confident142 Ų14247 Ų4754%0.53624%0.235SC..EExtended strand (participates in β ladder)trans-122.1133.5177.9-67.4176.6175.5-161.710.2108.7N112 F114R108-N112 WeakPolarHBondContact CD-OD1 3.5Å; R108-N112 PolarHBondContact NH1-OD1 3.35Å; R108-F114 VanDerWaalsContact CA-O 3.31Å; R108-F114 WeakPolarHBondContact CA-O 3.11Å
109H64.7Low75.4Confident61 Ų6144.3 Ų44.328%0.28223%0.225SC..EExtended strand (participates in β ladder)trans-117.5139.9172.1-176.171000109.6E113 F114 F232H109-E113 PolarHBondContact O-N 3.03Å; H109-F114 HydrophobicContact CB-CB 4.19Å; H109-F114 HydrophobicContact CB-CD1 4.46Å; H109-F114 PolarHBondContact N-O 2.77Å; H109-F114 PolarHBondContact O-N 2.96Å; H109-F232 HydrophobicContact CB-CE2 4.49Å; H109-F232 HydrophobicContact CB-CZ 4.18Å; H109-F232 AromaticContact ND1-CE2 3.74Å
110N55.7Low75.6Confident108 Ų10844.3 Ų44.358%0.57823%0.225SC*.THydrogen-bonded Turntrans32.996.6176.6-96.4-5.8000115.4N112 E113N110-N112 PolarHBondContact O-N 3.38Å; N110-E113 PolarHBondContact O-N 3.49Å
111N58Low75.8Confident161 Ų16144.6 Ų44.686%0.86123%0.227SC*.THydrogen-bonded Turntrans49.535.1172.5-68.4-11.4000115.4
112N57.4Low75.9Confident101 Ų10144.4 Ų44.454%0.5423%0.226SC..THydrogen-bonded Turntrans70.915.8-179-50-44.9000116R108 N110 F114R108-N112 WeakPolarHBondContact CD-OD1 3.5Å; R108-N112 PolarHBondContact NH1-OD1 3.35Å; N110-N112 PolarHBondContact O-N 3.38Å; N112-F114 PolarHBondContact O-N 2.95Å
113E58Low76.1Confident158 Ų15850 Ų5074%0.73825%0.247SC*.THydrogen-bonded Turntrans-64-30.3176.7-75.1-176170.800112.8H109 N110H109-E113 PolarHBondContact O-N 3.03Å; N110-E113 PolarHBondContact O-N 3.49Å
114F63.6Low76.1Confident29 Ų2950.6 Ų50.613%0.12725%0.25CS..EExtended strand (participates in β ladder)trans-130.1122.7174.6179.6-94.8000110R108 H109 N112 L116 I149 L151 F232R108-F114 VanDerWaalsContact CA-O 3.31Å; R108-F114 WeakPolarHBondContact CA-O 3.11Å; H109-F114 HydrophobicContact CB-CB 4.19Å; H109-F114 HydrophobicContact CB-CD1 4.46Å; H109-F114 PolarHBondContact N-O 2.77Å; H109-F114 PolarHBondContact O-N 2.96Å; N112-F114 PolarHBondContact O-N 2.95Å; F114-L116 HydrophobicContact CD1-CB 4.44Å; F114-L116 HydrophobicContact CE1-CB 3.58Å; F114-L116 HydrophobicContact CE1-CD2 4.35Å; F114-L116 HydrophobicContact CZ-CB 3.87Å; F114-L116 HydrophobicContact CZ-CD2 4.33Å; F114-I149 HydrophobicContact CZ-CG2 4.3Å; F114-L151 WeakPolarHBondContact CD2-O 3.5Å; F114-F232 HydrophobicContact CD1-CE1 4.36Å; F114-F232 HydrophobicContact CE1-CE1 4.15Å
115S73.7Confident76.1Confident60 Ų6052.9 Ų52.942%0.4226%0.26SS..EExtended strand (participates in β ladder)trans-124.2117.4173.369.50000110.9L107 K159L107-S115 VanDerWaalsContact O-CA 3.3Å; L107-S115 WeakPolarHBondContact O-CA 3.26Å; S115-K159 WeakPolarHBondContact O-CE 3.42Å; S115-K159 PolarHBondContact O-NZ 3.03Å
116L78.6Confident76.1Confident1 Ų155.2 Ų55.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-122.3126.7176.7-179.369.7000108.8L107 F114 V118 K159 Y162 L193L107-L116 WeakPolarHBondContact CA-O 3.4Å; L107-L116 WeakPolarHBondContact CB-O 3.3Å; L107-L116 PolarHBondContact N-O 2.72Å; L107-L116 PolarHBondContact O-N 3.44Å; F114-L116 HydrophobicContact CD1-CB 4.44Å; F114-L116 HydrophobicContact CE1-CB 3.58Å; F114-L116 HydrophobicContact CE1-CD2 4.35Å; F114-L116 HydrophobicContact CZ-CB 3.87Å; F114-L116 HydrophobicContact CZ-CD2 4.33Å; L116-V118 HydrophobicContact CD2-CG2 3.91Å; L116-V118 HydrophobicContact CG-CG2 4.01Å; L116-K159 HydrophobicContact CD1-CG 3.64Å; L116-Y162 HydrophobicContact CD1-CD2 3.99Å; L116-Y162 HydrophobicContact CD1-CG 4.23Å; L116-Y162 HydrophobicContact CD2-CD1 4.43Å; L116-Y162 HydrophobicContact CD2-CD2 4.22Å; L116-Y162 HydrophobicContact CD2-CG 4.05Å; L116-L193 HydrophobicContact CD2-CD2 3.87Å
117N83.9Confident76.2Confident65 Ų6559.4 Ų59.435%0.34829%0.289SS..EExtended strand (participates in β ladder)trans-89.1133.5169.8-68.9-12.2000108.4T104 C105 G106 M163T104-N117 HydrophobicContact CG2-CB 4.19Å; C105-N117 WeakPolarHBondContact O-CA 3.02Å; G106-N117 WeakPolarHBondContact CA-OD1 3.2Å; N117-M163 HydrophobicContact CB-CE 3.81Å; N117-M163 HydrophobicContact CB-CG 3.9Å; N117-M163 HydrophobicContact CB-SD 3.91Å; N117-M163 WeakPolarHBondContact O-CG 3.44Å
118V85.8Confident76.5Confident1 Ų159.7 Ų59.71%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-123.7127.5-179.2-1780000108.5T104 C105 L107 L116 L193 I195T104-V118 WeakPolarHBondContact CA-O 3.49Å; C105-V118 PolarHBondContact N-O 3.26Å; C105-V118 PolarHBondContact O-N 3.25Å; L107-V118 HydrophobicContact CD1-CB 4.3Å; L107-V118 HydrophobicContact CD1-CG2 3.38Å; L107-V118 HydrophobicContact CG-CG2 4.01Å; L116-V118 HydrophobicContact CD2-CG2 3.91Å; L116-V118 HydrophobicContact CG-CG2 4.01Å; V118-L193 HydrophobicContact CB-CD2 4.46Å; V118-L193 HydrophobicContact CG1-CD2 4.21Å; V118-L193 HydrophobicContact CG1-CG 4.15Å; V118-L193 HydrophobicContact CG2-CD2 3.44Å; V118-L193 VanDerWaalsContact CG2-CD2 3.44Å; V118-L193 HydrophobicContact CG2-CG 4.25Å; V118-I195 HydrophobicContact CB-CD1 4.1Å; V118-I195 HydrophobicContact CG1-CD1 4.11Å; V118-I195 HydrophobicContact CG1-CG1 4.03Å
119T86.9Confident76.9Confident2 Ų262 Ų621%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-95.9126.9176.4-35.90000108.6I103 Y162 M163 V166 R191I103-T119 CarbonylContact O-C 3.58Å; I103-T119 WeakPolarHBondContact O-CA 3.41Å; T119-Y162 PolarHBondContact N-O 3.07Å; T119-Y162 PolarHBondContact OG1-O 3.48Å; T119-M163 WeakPolarHBondContact OG1-CA 3.4Å; T119-M163 PolarHBondContact OG1-O 2.96Å; T119-V166 HydrophobicContact CG2-CG2 3.89Å; T119-R191 PolarHBondContact O-NH1 3.38Å
120G87.1Confident77.5Confident0 Ų062.4 Ų62.40%032%0.315CS..EExtended strand (participates in β ladder)trans-132.6-169.3171.200000112P102 I103 V166 I195P102-G120 WeakPolarHBondContact CA-O 3.43Å; I103-G120 PolarHBondContact N-O 3.12Å; I103-G120 PolarHBondContact O-N 3.42Å; G120-V166 WeakPolarHBondContact O-CG2 3.24Å; G120-I195 WeakPolarHBondContact CA-O 3.47Å
121L87.4Confident78.6Confident10 Ų1058.9 Ų58.95%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-133.9121.8-172.2-178.265.8000110.2F100 P102 W123 V166 L185 V188 I195F100-L121 HydrophobicContact CB-CD1 4.42Å; F100-L121 HydrophobicContact CD1-CD1 4.25Å; F100-L121 HydrophobicContact CD1-CD2 4.11Å; F100-L121 HydrophobicContact CD1-CG 4.47Å; F100-L121 HydrophobicContact CE1-CD2 4.49Å; P102-L121 HydrophobicContact CG-CD1 4.39Å; L121-W123 PolarHBondContact O-N 3.3Å; L121-V166 HydrophobicContact CB-CG1 4.25Å; L121-V166 HydrophobicContact CB-CG2 4.44Å; L121-V166 HydrophobicContact CD1-CG1 4.03Å; L121-V166 HydrophobicContact CD2-CG1 4.19Å; L121-V166 HydrophobicContact CG-CG1 4.38Å; L121-L185 HydrophobicContact CD2-CG 4.29Å; L121-V188 HydrophobicContact CB-CG1 4.2Å; L121-V188 HydrophobicContact CB-CG2 4.07Å; L121-V188 HydrophobicContact CD2-CG2 4.48Å; L121-I195 PolarHBondContact N-O 3.46Å
122I86.6Confident79.6Confident0 Ų051.5 Ų51.50%026%0.26CS..EExtended strand (participates in β ladder)trans-82.9112.1165-66.2157.9000107.2F100 I101 I103 L197 L221 I223F100-I122 CarbonylContact C-O 3.57Å; F100-I122 WeakPolarHBondContact CA-O 3.37Å; I101-I122 HydrophobicContact CB-CB 4.12Å; I101-I122 HydrophobicContact CB-CD1 4.36Å; I101-I122 HydrophobicContact CG2-CD1 4.45Å; I101-I122 PolarHBondContact N-O 3.01Å; I101-I122 VanDerWaalsContact O-CB 3.3Å; I101-I122 WeakPolarHBondContact O-CB 2.93Å; I101-I122 PolarHBondContact O-N 3.44Å; I103-I122 HydrophobicContact CB-CD1 3.96Å; I103-I122 HydrophobicContact CB-CG1 4.45Å; I103-I122 HydrophobicContact CD1-CD1 3.89Å; I103-I122 HydrophobicContact CG2-CD1 4.04Å; I103-I122 HydrophobicContact CG2-CG1 4.02Å; I122-L197 HydrophobicContact CB-CG 4.46Å; I122-L197 HydrophobicContact CG1-CD2 4.17Å; I122-L197 HydrophobicContact CG1-CG 4.34Å; I122-L197 HydrophobicContact CG2-CD1 3.6Å; I122-L197 HydrophobicContact CG2-CD2 4.37Å; I122-L197 HydrophobicContact CG2-CG 3.93Å; I122-L221 HydrophobicContact CG2-CD2 4.09Å; I122-I223 HydrophobicContact CD1-CD1 3.4Å; I122-I223 VanDerWaalsContact CD1-CD1 3.4Å; I122-I223 HydrophobicContact CG1-CD1 4.17Å
123W87Confident80.7Confident116 Ų11647.5 Ų47.544%0.43924%0.239SC..EExtended strand (participates in β ladder)trans-119.7128.2172.6174.253.8000109.7L99 F100 L121 L185L99-W123 WeakPolarHBondContact O-CA 3.47Å; F100-W123 HydrophobicContact CD1-CB 4.31Å; F100-W123 AromaticContact CD1-CD1 3.71Å; F100-W123 HydrophobicContact CD1-CG 4.26Å; F100-W123 HydrophobicContact CE1-CB 4.27Å; F100-W123 AromaticContact CE1-CD1 3.18Å; F100-W123 AromaticContact CE1-CG 3.8Å; F100-W123 HydrophobicContact CE1-CG 3.8Å; F100-W123 AromaticContact CE1-NE1 3.74Å; F100-W123 AromaticContact CZ-CD1 3.36Å; F100-W123 HydrophobicContact CZ-CG 4.34Å; F100-W123 AromaticContact CZ-NE1 3.49Å; L121-W123 PolarHBondContact O-N 3.3Å; W123-L185 HydrophobicContact CD2-CD1 4.35Å; W123-L185 HydrophobicContact CD2-CD2 4.47Å; W123-L185 HydrophobicContact CE3-CD2 4.14Å
124N87.2Confident81.9Confident14 Ų1442.4 Ų42.48%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-151.1121.2175.1-179.5-64.4000110.6K97 R98 L99 L197 T200K97-N124 VanDerWaalsContact NZ-CG 3.33Å; K97-N124 PolarHBondContact NZ-O 2.85Å; K97-N124 PolarHBondContact NZ-OD1 3.47Å; R98-N124 CarbonylContact C-O 3.57Å; R98-N124 WeakPolarHBondContact CA-O 3.29Å; L99-N124 PolarHBondContact N-O 3.01Å; L99-N124 PolarHBondContact O-N 3.27Å; L99-N124 VanDerWaalsContact O-N 3.15Å; N124-L197 HydrophobicContact CB-CD1 4.43Å; N124-T200 WeakPolarHBondContact ND2-CG2 3.03Å
125E86.7Confident83Confident69 Ų6941 Ų4132%0.32221%0.211SC..EExtended strand (participates in β ladder)trans-111.9134.5174.3-174.8169.9-175.700110.4K97 R98K97-E125 WeakPolarHBondContact O-CA 3.44Å; R98-E125 HydrophobicContact CB-CB 4.47Å; R98-E125 HydrophobicContact CB-CG 4.29Å; R98-E125 HydrophobicContact CG-CB 4.13Å; R98-E125 HydrophobicContact CG-CG 4.3Å; R98-E125 IonicContact CZ-OE1 3.55Å; R98-E125 IonicContact CZ-OE2 3.45Å; R98-E125 IonicContact NE-OE1 3.85Å; R98-E125 PolarHBondContact NE-OE1 3.25Å; R98-E125 IonicContact NE-OE2 3.38Å; R98-E125 PolarHBondContact NE-OE2 2.95Å; R98-E125 IonicContact NH2-OE1 2.83Å; R98-E125 PolarHBondContact NH2-OE1 3.08Å; R98-E125 IonicContact NH2-OE2 2.85Å; R98-E125 PolarHBondContact NH2-OE2 2.76Å
126F85Confident83.6Confident48 Ų4842.8 Ų42.821%0.21121%0.211CC..EExtended strand (participates in β ladder)trans-141.2127.7175.4-175.8-101.3000109.3G96 K97 I132 L135 C202 M204G96-F126 CarbonylContact C-O 3.46Å; G96-F126 WeakPolarHBondContact CA-O 3.39Å; K97-F126 PolarHBondContact N-O 2.78Å; K97-F126 PolarHBondContact O-N 3.28Å; F126-I132 HydrophobicContact CD1-CD1 3.76Å; F126-I132 HydrophobicContact CE1-CD1 3.58Å; F126-I132 HydrophobicContact CE1-CG1 4.49Å; F126-L135 HydrophobicContact CB-CD2 4.42Å; F126-L135 HydrophobicContact CD1-CD1 3.67Å; F126-L135 HydrophobicContact CD1-CD2 4.3Å; F126-L135 HydrophobicContact CE1-CD1 3.84Å; F126-L135 HydrophobicContact CG-CD1 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.48Å; F126-C202 HydrophobicContact CD2-CB 4.44Å; F126-M204 HydrophobicContact CE1-CB 4.43Å; F126-M204 HydrophobicContact CE1-SD 3.91Å; F126-M204 HydrophobicContact CZ-CG 4.5Å; F126-M204 HydrophobicContact CZ-SD 3.77Å
127I83.6Confident84Confident96 Ų9642.9 Ų42.949%0.49221%0.212SC..EExtended strand (participates in β ladder)trans-129.7123.8175.4-59.5171.8000106.8Y16Y16-I127 HydrophobicContact CD2-CD1 4.25Å; Y16-I127 HydrophobicContact CD2-CG1 3.88Å; Y16-I127 HydrophobicContact CE2-CD1 4.06Å; Y16-I127 HydrophobicContact CE2-CG1 3.99Å
128S81.2Confident84.1Confident12 Ų1241.8 Ų41.88%0.08420%0.204CC..  trans-101.1160.1174-176.80000110.5M95 T130 M204M95-S128 WeakPolarHBondContact CE-O 3.49Å; M95-S128 WeakPolarHBondContact O-CA 3.26Å; M95-S128 WeakPolarHBondContact O-CB 3.36Å; M95-S128 PolarHBondContact O-N 2.84Å; S128-T130 VanDerWaalsContact CB-O 3.32Å; S128-T130 WeakPolarHBondContact CB-O 3.35Å; S128-T130 PolarHBondContact OG-N 3.01Å; S128-T130 PolarHBondContact OG-O 3.35Å; S128-T130 PolarHBondContact OG-OG1 2.94Å; S128-M204 PolarHBondContact OG-SD 3.41Å
129Q77Confident84.3Confident191 Ų19141.8 Ų41.889%0.89320%0.204SC*.SBendtrans-88.3-12.3169.2-64.8-177.2-13.500112.5M95M95-Q129 WeakPolarHBondContact CE-O 3.44Å
130T77.4Confident84.3Confident68 Ų6844.1 Ų44.142%0.41722%0.215SC..SBendtrans-119.9153.8179.5560000110.2S128 I132 T206S128-T130 VanDerWaalsContact CB-O 3.32Å; S128-T130 WeakPolarHBondContact CB-O 3.35Å; S128-T130 PolarHBondContact OG-N 3.01Å; S128-T130 PolarHBondContact OG-O 3.35Å; S128-T130 PolarHBondContact OG-OG1 2.94Å; T130-I132 PolarHBondContact O-N 3.22Å; T130-T206 WeakPolarHBondContact OG1-CG2 3.11Å
131S77.5Confident84.4Confident34 Ų3444.1 Ų44.124%0.23822%0.215CC..  trans-59.3134.7175.3500000110.8I94 T206I94-S131 WeakPolarHBondContact O-CA 3.35Å; S131-T206 WeakPolarHBondContact O-CG2 3.32Å
132I79.9Confident84.4Confident6 Ų645 Ų453%0.03122%0.221CC..  trans-106.7133.6-178.3-47.9164.7000108.4I94 F126 T130 D134 L135 M204 F217I94-I132 PolarHBondContact O-N 2.81Å; F126-I132 HydrophobicContact CD1-CD1 3.76Å; F126-I132 HydrophobicContact CE1-CD1 3.58Å; F126-I132 HydrophobicContact CE1-CG1 4.49Å; T130-I132 PolarHBondContact O-N 3.22Å; I132-D134 WeakPolarHBondContact CG2-O 3.45Å; I132-L135 HydrophobicContact CG2-CB 4.38Å; I132-M204 HydrophobicContact CG1-SD 4.41Å; I132-M204 HydrophobicContact CG2-CB 4.08Å; I132-F217 HydrophobicContact CB-CD2 4.37Å; I132-F217 HydrophobicContact CB-CE2 3.84Å; I132-F217 HydrophobicContact CG2-CD2 4.33Å; I132-F217 HydrophobicContact CG2-CE2 3.66Å; I132-F217 WeakPolarHBondContact O-CD2 3.36Å
133T80.6Confident84.4Confident18 Ų1846.3 Ų46.311%0.1123%0.228CC..SBendtrans-102.4-47.4172.546.20000111.3S205 E215 F217 H218T133-S205 PolarHBondContact N-O 2.81Å; T133-S205 PolarHBondContact OG1-O 3.42Å; T133-S205 PolarHBondContact OG1-OG 3.09Å; T133-E215 WeakPolarHBondContact CG2-OE2 3.46Å; T133-F217 CarbonylContact O-C 3.58Å; T133-F217 VanDerWaalsContact O-CA 3.25Å; T133-F217 WeakPolarHBondContact O-CA 3.39Å; T133-F217 VanDerWaalsContact O-CD2 3.32Å; T133-F217 WeakPolarHBondContact O-CD2 3.39Å; T133-H218 PolarHBondContact O-N 2.92Å
134D84.1Confident84.4Confident51 Ų5144.7 Ų44.727%0.27322%0.224SC..EExtended strand (participates in β ladder)trans-124.8140.8173.7-44.5-61.4000111.1I132 F136 M204 S205 H218I132-D134 WeakPolarHBondContact CG2-O 3.45Å; D134-F136 HydrophobicContact CB-CD2 4.14Å; D134-F136 HydrophobicContact CB-CE2 3.57Å; D134-F136 HydrophobicContact CB-CZ 4.36Å; D134-M204 CarbonylContact O-C 3.59Å; D134-M204 VanDerWaalsContact O-CA 3.32Å; D134-M204 WeakPolarHBondContact O-CA 3.49Å; D134-S205 WeakPolarHBondContact CA-OG 3.39Å; D134-S205 WeakPolarHBondContact CB-OG 3.34Å; D134-S205 PolarHBondContact N-OG 3.31Å; D134-S205 PolarHBondContact O-N 3.5Å; D134-S205 PolarHBondContact OD2-OG 3.32Å; D134-H218 CarbonylContact C-O 3.6Å; D134-H218 VanDerWaalsContact CA-O 3.31Å; D134-H218 WeakPolarHBondContact CA-O 3.49Å; D134-H218 WeakPolarHBondContact OD1-CB 3.44Å
135L85.6Confident84.4Confident0 Ų045.9 Ų45.90%023%0.229CC..EExtended strand (participates in β ladder)trans-126.3108.9175-172.770.7000109.6K97 F126 I132 I137 M204 F217 H218 I219 T220K97-L135 HydrophobicContact CD-CD2 4.01Å; K97-L135 HydrophobicContact CG-CD2 3.64Å; F126-L135 HydrophobicContact CB-CD2 4.42Å; F126-L135 HydrophobicContact CD1-CD1 3.67Å; F126-L135 HydrophobicContact CD1-CD2 4.3Å; F126-L135 HydrophobicContact CE1-CD1 3.84Å; F126-L135 HydrophobicContact CG-CD1 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.48Å; I132-L135 HydrophobicContact CG2-CB 4.38Å; L135-I137 HydrophobicContact CD2-CD1 3.91Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.25Å; L135-I137 HydrophobicContact CG-CG1 4.06Å; L135-M204 HydrophobicContact CD1-CB 4.2Å; L135-F217 HydrophobicContact CB-CE2 4.21Å; L135-F217 HydrophobicContact CB-CZ 4.27Å; L135-H218 PolarHBondContact N-O 2.8Å; L135-I219 HydrophobicContact CB-CG1 4.3Å; L135-I219 HydrophobicContact CD2-CG1 4.47Å; L135-I219 HydrophobicContact CD2-CG2 4.43Å; L135-I219 CarbonylContact O-C 3.53Å; L135-I219 WeakPolarHBondContact O-CA 3.29Å; L135-T220 PolarHBondContact O-N 2.82Å
136F86.2Confident84.3Confident97 Ų9746.7 Ų46.743%0.42524%0.238SC..EExtended strand (participates in β ladder)trans-99.2120.6175.1-67.8-86.7000109.5D134 C202 F203 T220D134-F136 HydrophobicContact CB-CD2 4.14Å; D134-F136 HydrophobicContact CB-CE2 3.57Å; D134-F136 HydrophobicContact CB-CZ 4.36Å; F136-C202 CarbonylContact O-C 3.58Å; F136-C202 WeakPolarHBondContact O-CA 3.22Å; F136-F203 HydrophobicContact CB-CB 4.32Å; F136-F203 PolarHBondContact N-O 2.9Å; F136-F203 PolarHBondContact O-N 2.9Å; F136-T220 WeakPolarHBondContact CA-O 3.16Å; F136-T220 HydrophobicContact CD1-CG2 4.3Å; F136-T220 WeakPolarHBondContact CD1-OG1 3.45Å; F136-T220 HydrophobicContact CE1-CG2 4.38Å; F136-T220 WeakPolarHBondContact CE1-OG1 3.45Å
137I87.1Confident84.2Confident3 Ų350.9 Ų50.92%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-118.5119.9179-55170.5000107.7K97 L99 L135 T200 Q201 I219 T220 L221 V222K97-I137 VanDerWaalsContact CE-CD1 3.42Å; L99-I137 HydrophobicContact CD1-CD1 4.38Å; L135-I137 HydrophobicContact CD2-CD1 3.91Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.25Å; L135-I137 HydrophobicContact CG-CG1 4.06Å; I137-T200 HydrophobicContact CG2-CG2 3.72Å; I137-Q201 WeakPolarHBondContact CA-O 3.37Å; I137-I219 HydrophobicContact CD1-CG2 4.27Å; I137-T220 PolarHBondContact N-O 2.81Å; I137-L221 HydrophobicContact CB-CD1 3.68Å; I137-L221 HydrophobicContact CG2-CD1 3.48Å; I137-L221 VanDerWaalsContact CG2-CD1 3.48Å; I137-L221 CarbonylContact O-C 3.58Å; I137-L221 WeakPolarHBondContact O-CA 3.43Å; I137-V222 PolarHBondContact O-N 3.35Å
138Q87.1Confident84.1Confident42 Ų4249 Ų4920%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-110.1134169.8-171.2174.711.400109.2T200 Q201 V222Q138-T200 CarbonylContact O-C 3.44Å; Q138-T200 WeakPolarHBondContact O-CA 3.34Å; Q138-Q201 PolarHBondContact N-O 2.87Å; Q138-Q201 PolarHBondContact O-N 3.27Å; Q138-V222 CarbonylContact C-O 3.5Å; Q138-V222 WeakPolarHBondContact CA-O 3.39Å
139S88.6Confident83.9Confident1 Ų148.5 Ų48.51%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-149160.4179.6540000111.3L197 V222 I223 N224S139-L197 WeakPolarHBondContact OG-CD2 3.49Å; S139-V222 PolarHBondContact N-O 2.71Å; S139-I223 CarbonylContact O-C 3.55Å; S139-I223 WeakPolarHBondContact O-CA 3.21Å; S139-N224 PolarHBondContact O-N 2.87Å
140E88.2Confident83.7Confident50 Ų5043 Ų4323%0.23422%0.224CC..EExtended strand (participates in β ladder)trans-104134.9170.6-69.9177-17000109T142 G198 K199 N224E140-T142 PolarHBondContact O-N 2.76Å; E140-G198 PolarHBondContact N-O 3.05Å; E140-G198 PolarHBondContact O-N 2.79Å; E140-G198 VanDerWaalsContact O-O 3.14Å; E140-K199 IonicContact OE1-NZ 2.81Å; E140-K199 PolarHBondContact OE1-NZ 2.98Å; E140-K199 WeakPolarHBondContact OE2-CD 3.28Å; E140-K199 WeakPolarHBondContact OE2-CE 3.39Å; E140-K199 IonicContact OE2-NZ 2.75Å; E140-K199 PolarHBondContact OE2-NZ 2.88Å; E140-N224 HydrophobicContact CG-CB 4.22Å
141L87.5Confident83.2Confident0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-75.3119.6174.4-156.786.4000109.2M1 I103 C105 I195 L197 I223 N224 L225 Q228M1-L141 HydrophobicContact CE-CD2 3.55Å; M1-L141 HydrophobicContact CE-CG 4.43Å; M1-L141 HydrophobicContact SD-CD2 4.08Å; I103-L141 HydrophobicContact CD1-CD1 4.22Å; C105-L141 VanDerWaalsContact SG-CD2 3.59Å; L141-I195 HydrophobicContact CD1-CG2 3.56Å; L141-I195 HydrophobicContact CD2-CG2 3.47Å; L141-I195 VanDerWaalsContact CD2-CG2 3.47Å; L141-I195 HydrophobicContact CG-CG2 3.33Å; L141-L197 HydrophobicContact CD1-CD2 4.39Å; L141-I223 HydrophobicContact CB-CG2 3.81Å; L141-I223 HydrophobicContact CD1-CG2 3.73Å; L141-I223 HydrophobicContact CG-CG2 4.37Å; L141-N224 PolarHBondContact N-O 2.78Å; L141-L225 HydrophobicContact CD2-CD2 3.83Å; L141-Q228 PolarHBondContact O-NE2 2.81Å
142T87.3Confident82.6Confident29 Ų2944.9 Ų44.918%0.17823%0.225CC..EExtended strand (participates in β ladder)trans-114.2133.3-178.647.60000111.9E140 I195 H196 G198E140-T142 PolarHBondContact O-N 2.76Å; T142-I195 WeakPolarHBondContact O-CA 3.3Å; T142-H196 PolarHBondContact N-O 3.43Å; T142-H196 PolarHBondContact O-CE1 3.15Å; T142-H196 PolarHBondContact O-N 2.89Å; T142-H196 PolarHBondContact O-ND1 3.42Å; T142-H196 VanDerWaalsContact O-ND1 3.1Å; T142-H196 PolarHBondContact OG1-CD2 2.95Å; T142-H196 PolarHBondContact OG1-CE1 3.39Å; T142-H196 VanDerWaalsContact OG1-CE1 3.27Å; T142-H196 PolarHBondContact OG1-NE2 3.29Å; T142-H196 PolarHBondContact OG1-O 3.22Å; T142-G198 PolarHBondContact OG1-N 3.42Å
143I86.9Confident82Confident28 Ų2855.9 Ų55.914%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-86.7126.3171.8-60169.4000108M1 L107 L193 T194 Q228 L230M1-I143 HydrophobicContact CE-CD1 3.55Å; M1-I143 HydrophobicContact CE-CG1 3.3Å; M1-I143 HydrophobicContact CG-CD1 4.27Å; M1-I143 HydrophobicContact SD-CD1 4.13Å; M1-I143 HydrophobicContact SD-CG1 4.27Å; L107-I143 HydrophobicContact CD1-CD1 4.48Å; L107-I143 HydrophobicContact CD2-CD1 3.66Å; I143-L193 HydrophobicContact CG2-CD1 3.33Å; I143-L193 HydrophobicContact CG2-CG 4.27Å; I143-T194 WeakPolarHBondContact CA-O 3.11Å; I143-Q228 HydrophobicContact CD1-CB 4.06Å; I143-L230 HydrophobicContact CD1-CD2 4Å; I143-L230 HydrophobicContact CG2-CD2 4.03Å
144K87.9Confident81.7Confident81 Ų8156.6 Ų56.635%0.35227%0.269SS..EExtended strand (participates in β ladder)trans-97.8127.1164.7-171.8-177.6176.2-165.80107.6L193 T194K144-L193 WeakPolarHBondContact O-CA 3.43Å; K144-T194 PolarHBondContact N-O 3.47Å; K144-T194 PolarHBondContact O-N 2.81Å
145Q86.4Confident81.4Confident40 Ų4058.9 Ų58.919%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-126.9125.7174.9-172.2176.30.600109.5Q147 N192 L193 L231Q145-Q147 VanDerWaalsContact CG-O 3.24Å; Q145-Q147 WeakPolarHBondContact CG-O 3.01Å; Q145-Q147 PolarHBondContact NE2-O 3.44Å; Q145-N192 CarbonylContact C-O 3.36Å; Q145-N192 VanDerWaalsContact CA-O 3.25Å; Q145-N192 WeakPolarHBondContact CA-O 3.34Å; Q145-L193 HydrophobicContact CB-CD1 3.85Å; Q145-L193 HydrophobicContact CG-CD1 3.93Å; Q145-L231 PolarHBondContact NE2-O 2.81Å
146T85.1Confident81Confident85 Ų8563.6 Ų63.652%0.52131%0.311SS..SBendtrans-97-31.418064.50000112.9N192T146-N192 PolarHBondContact N-O 2.87Å; T146-N192 PolarHBondContact N-OD1 3.39Å; T146-N192 WeakPolarHBondContact OG1-CA 3.35Å; T146-N192 PolarHBondContact OG1-OD1 3.1Å; T146-N192 VanDerWaalsContact OG1-OD1 3.06Å
147Q83.3Confident80.8Confident136 Ų13664.3 Ų64.364%0.63632%0.318SS*.SBendtrans-137.5153-179-57.6-178.9-6.900111Q145 N192Q145-Q147 VanDerWaalsContact CG-O 3.24Å; Q145-Q147 WeakPolarHBondContact CG-O 3.01Å; Q145-Q147 PolarHBondContact NE2-O 3.44Å; Q147-N192 WeakPolarHBondContact CA-OD1 3.34Å; Q147-N192 WeakPolarHBondContact CB-OD1 3.39Å; Q147-N192 PolarHBondContact N-OD1 3.13Å; Q147-N192 PolarHBondContact O-ND2 3.27Å; Q147-N192 PolarHBondContact O-OD1 2.89Å; Q147-N192 VanDerWaalsContact O-OD1 3.12Å
148S80.2Confident80.4Confident57 Ų5766.9 Ų66.940%0.39933%0.331SS..PPolyproline II helixtrans-65.8144.2178.155.10000112.4L231S148-L231 CarbonylContact C-O 3.42Å; S148-L231 VanDerWaalsContact CA-O 3.26Å; S148-L231 WeakPolarHBondContact CA-O 3.45Å
149I77.1Confident79.9Confident1 Ų168.7 Ų68.71%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-95.8138.7-178.7-64.5154.8000109.8F114 L151 M154 L193 L231 F232 E233F114-I149 HydrophobicContact CZ-CG2 4.3Å; I149-L151 PolarHBondContact O-N 3.36Å; I149-M154 HydrophobicContact CG2-CE 3.73Å; I149-M154 HydrophobicContact CG2-SD 4.46Å; I149-L193 HydrophobicContact CD1-CD1 4.02Å; I149-L193 HydrophobicContact CD1-CD2 3.6Å; I149-L193 HydrophobicContact CD1-CG 4.29Å; I149-L231 PolarHBondContact N-O 3.03Å; I149-F232 HydrophobicContact CB-CD1 4.19Å; I149-F232 HydrophobicContact CB-CE1 4.45Å; I149-F232 HydrophobicContact CG2-CD1 4.39Å; I149-F232 HydrophobicContact CG2-CE1 4.38Å; I149-F232 CarbonylContact O-C 3.57Å; I149-F232 VanDerWaalsContact O-CA 3.3Å; I149-F232 WeakPolarHBondContact O-CA 3.25Å; I149-E233 PolarHBondContact O-N 3.15Å
150K73.9Confident79.6Confident75 Ų7575.2 Ų75.233%0.32637%0.368SS..EExtended strand (participates in β ladder)trans-67.2116.7171.7-63.8172.3-170.8158.60109.8H152 E158K150-H152 VanDerWaalsContact C-N 3.34Å; K150-E158 IonicContact NZ-OE1 3.35Å; K150-E158 PolarHBondContact NZ-OE1 2.93Å; K150-E158 IonicContact NZ-OE2 3.67Å; K150-E158 PolarHBondContact NZ-OE2 3.23Å
151L66.2Low79.3Confident35 Ų3580.1 Ų80.118%0.18339%0.386CS..SBendtrans-67.4-36.8178.4-169.376.3000112.1F114 I149 F232F114-L151 WeakPolarHBondContact CD2-O 3.5Å; I149-L151 PolarHBondContact O-N 3.36Å; L151-F232 HydrophobicContact CB-CB 4.36Å; L151-F232 HydrophobicContact CB-CD1 4.05Å; L151-F232 HydrophobicContact CB-CG 4.38Å; L151-F232 HydrophobicContact CD1-CB 4.42Å; L151-F232 HydrophobicContact CD1-CD1 3.46Å; L151-F232 VanDerWaalsContact CD1-CD1 3.46Å; L151-F232 HydrophobicContact CD1-CD2 4.04Å; L151-F232 HydrophobicContact CD1-CE1 3.56Å; L151-F232 HydrophobicContact CD1-CE2 4.12Å; L151-F232 HydrophobicContact CD1-CG 3.7Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CD1 4.39Å
152H66.3Low79Confident107 Ų10781.5 Ų81.550%0.49539%0.391SS..SBendtrans-124.9151-178.7-61.1-49.1000110.2K150 M154K150-H152 VanDerWaalsContact C-N 3.34Å; H152-M154 VanDerWaalsContact C-N 3.3Å; H152-M154 PolarHBondContact O-N 3.46Å
153W66.6Low78.6Confident238 Ų23884.1 Ų84.190%0.90240%0.402SS*.  trans63.730.7176.4-4795.8000114.4D155W153-D155 PolarHBondContact O-N 3.06Å
154M73.3Confident78.4Confident33 Ų3389 Ų8916%0.16342%0.418CS..  trans-69.7120.8168.8-171.9166.4-106.100108.5I149 H152 E158 Y162I149-M154 HydrophobicContact CG2-CE 3.73Å; I149-M154 HydrophobicContact CG2-SD 4.46Å; H152-M154 VanDerWaalsContact C-N 3.3Å; H152-M154 PolarHBondContact O-N 3.46Å; M154-E158 HydrophobicContact CE-CB 4.39Å; M154-E158 HydrophobicContact CG-CB 3.69Å; M154-E158 HydrophobicContact SD-CB 4.48Å; M154-Y162 HydrophobicContact CE-CD2 4.32Å; M154-Y162 HydrophobicContact CE-CE2 3.31Å; M154-Y162 HydrophobicContact SD-CD2 4.21Å; M154-Y162 HydrophobicContact SD-CE2 3.74Å
155D78.7Confident77.8Confident98 Ų9888 Ų8852%0.52442%0.421SS..  trans-62.6148.9-179.9-71.9-35.7000110.3W153 I157 E158 K159W153-D155 PolarHBondContact O-N 3.06Å; D155-I157 PolarHBondContact O-N 2.72Å; D155-I157 VanDerWaalsContact O-N 3.12Å; D155-E158 HydrophobicContact CB-CB 4.48Å; D155-E158 WeakPolarHBondContact O-CB 3.46Å; D155-E158 PolarHBondContact O-N 3.12Å; D155-K159 PolarHBondContact O-N 2.85Å
156P77.9Confident77.3Confident100 Ų10086.4 Ų86.465%0.64941%0.414SS*.Hα-helixtrans-53.4-36.6177.6-24.732.9000112.5K159 E160P156-K159 WeakPolarHBondContact O-CB 3.24Å; P156-K159 PolarHBondContact O-N 2.72Å; P156-E160 PolarHBondContact O-N 3.41Å; P156-E160 VanDerWaalsContact O-N 3.08Å
157I80.8Confident76.6Confident111 Ų11182.9 Ų82.957%0.56939%0.391SS*.Hα-helixtrans-67.3-44.2178.2-55.2172.3000110.9D155 K159 E160 Y161D155-I157 PolarHBondContact O-N 2.72Å; D155-I157 VanDerWaalsContact O-N 3.12Å; I157-K159 PolarHBondContact O-N 3.45Å; I157-E160 PolarHBondContact O-N 2.87Å; I157-Y161 HydrophobicContact CG2-CE2 3.87Å; I157-Y161 WeakPolarHBondContact O-CD2 3.5Å; I157-Y161 PolarHBondContact O-N 3.47Å
158E78.2Confident75.7Confident58 Ų5880.9 Ų80.927%0.27139%0.385SS..Hα-helixtrans-58.7-40.5173.6-87.9-172.9176.900110.9K150 M154 D155 E160 Y161 Y162K150-E158 IonicContact NZ-OE1 3.35Å; K150-E158 PolarHBondContact NZ-OE1 2.93Å; K150-E158 IonicContact NZ-OE2 3.67Å; K150-E158 PolarHBondContact NZ-OE2 3.23Å; M154-E158 HydrophobicContact CE-CB 4.39Å; M154-E158 HydrophobicContact CG-CB 3.69Å; M154-E158 HydrophobicContact SD-CB 4.48Å; D155-E158 HydrophobicContact CB-CB 4.48Å; D155-E158 WeakPolarHBondContact O-CB 3.46Å; D155-E158 PolarHBondContact O-N 3.12Å; E158-E160 PolarHBondContact O-N 2.97Å; E158-Y161 PolarHBondContact O-N 3.31Å; E158-Y162 WeakPolarHBondContact O-CD2 3.45Å; E158-Y162 VanDerWaalsContact O-CE2 3.26Å; E158-Y162 WeakPolarHBondContact O-CE2 3.37Å
159K78.5Confident74.5Confident79 Ų7981.9 Ų81.934%0.34338%0.384SS..Hα-helixtrans-62.7-40.9178.6-161.7177.1-175.4171.80112.4S115 L116 D155 P156 I157 Y161 Y162 M163S115-K159 WeakPolarHBondContact O-CE 3.42Å; S115-K159 PolarHBondContact O-NZ 3.03Å; L116-K159 HydrophobicContact CD1-CG 3.64Å; D155-K159 PolarHBondContact O-N 2.85Å; P156-K159 WeakPolarHBondContact O-CB 3.24Å; P156-K159 PolarHBondContact O-N 2.72Å; I157-K159 PolarHBondContact O-N 3.45Å; K159-Y161 VanDerWaalsContact C-N 3.28Å; K159-Y161 PolarHBondContact O-N 3.21Å; K159-Y162 PolarHBondContact O-N 2.82Å; K159-M163 PolarHBondContact O-N 2.87Å
160E81.5Confident73.5Confident139 Ų13987.9 Ų87.965%0.6542%0.416SS*.Hα-helixtrans-62.3-32.7178.2-77.7-176.517600112.9P156 I157 E158 Y162 M163 R164P156-E160 PolarHBondContact O-N 3.41Å; P156-E160 VanDerWaalsContact O-N 3.08Å; I157-E160 PolarHBondContact O-N 2.87Å; E158-E160 PolarHBondContact O-N 2.97Å; E160-Y162 PolarHBondContact O-N 2.87Å; E160-M163 CarbonylContact O-C 3.57Å; E160-M163 PolarHBondContact O-N 2.93Å; E160-R164 PolarHBondContact O-N 2.02Å
161Y82.4Confident72.3Confident153 Ų15387.1 Ų87.160%0.642%0.418SS*.Hα-helixtrans-60.8-32.9177.2-75.6-70.7000113.1I157 E158 K159 R164I157-Y161 HydrophobicContact CG2-CE2 3.87Å; I157-Y161 WeakPolarHBondContact O-CD2 3.5Å; I157-Y161 PolarHBondContact O-N 3.47Å; E158-Y161 PolarHBondContact O-N 3.31Å; K159-Y161 VanDerWaalsContact C-N 3.28Å; K159-Y161 PolarHBondContact O-N 3.21Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å
162Y80.3Confident71.5Confident29 Ų2986.1 Ų86.111%0.11441%0.414CS..Hα-helixtrans-76.2-26.1175.8-59.5-75.2000112.9L116 T119 M154 E158 K159 E160 N192 L193L116-Y162 HydrophobicContact CD1-CD2 3.99Å; L116-Y162 HydrophobicContact CD1-CG 4.23Å; L116-Y162 HydrophobicContact CD2-CD1 4.43Å; L116-Y162 HydrophobicContact CD2-CD2 4.22Å; L116-Y162 HydrophobicContact CD2-CG 4.05Å; T119-Y162 PolarHBondContact N-O 3.07Å; T119-Y162 PolarHBondContact OG1-O 3.48Å; M154-Y162 HydrophobicContact CE-CD2 4.32Å; M154-Y162 HydrophobicContact CE-CE2 3.31Å; M154-Y162 HydrophobicContact SD-CD2 4.21Å; M154-Y162 HydrophobicContact SD-CE2 3.74Å; E158-Y162 WeakPolarHBondContact O-CD2 3.45Å; E158-Y162 VanDerWaalsContact O-CE2 3.26Å; E158-Y162 WeakPolarHBondContact O-CE2 3.37Å; K159-Y162 PolarHBondContact O-N 2.82Å; E160-Y162 PolarHBondContact O-N 2.87Å; Y162-N192 HydrophobicContact CE1-CB 4.34Å; Y162-N192 PolarHBondContact OH-ND2 2.87Å; Y162-L193 HydrophobicContact CD1-CB 3.77Å; Y162-L193 HydrophobicContact CD1-CD2 4.14Å; Y162-L193 HydrophobicContact CE1-CB 3.72Å; Y162-L193 HydrophobicContact CE1-CD2 4.38Å
163M78.9Confident70.5Confident83 Ų8391.4 Ų91.441%0.40943%0.429SS..Hα-helixtrans-921177.4-64.6-173.365.900113.1N117 T119 K159 E160N117-M163 HydrophobicContact CB-CE 3.81Å; N117-M163 HydrophobicContact CB-CG 3.9Å; N117-M163 HydrophobicContact CB-SD 3.91Å; N117-M163 WeakPolarHBondContact O-CG 3.44Å; T119-M163 WeakPolarHBondContact OG1-CA 3.4Å; T119-M163 PolarHBondContact OG1-O 2.96Å; K159-M163 PolarHBondContact O-N 2.87Å; E160-M163 CarbonylContact O-C 3.57Å; E160-M163 PolarHBondContact O-N 2.93Å
164R81.9Confident69.2Low130 Ų13089.8 Ų89.849%0.49142%0.424SS..  trans-59130.2-178.8-170.4179.5-179.9-146.5-4.9109.5E160 Y161 D187 R191E160-R164 PolarHBondContact O-N 2.02Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å; R164-D187 IonicContact CZ-OD1 3.27Å; R164-D187 IonicContact NH1-OD1 3.63Å; R164-D187 PolarHBondContact NH1-OD1 3.14Å; R164-D187 IonicContact NH1-OD2 3.38Å; R164-R191 PolarHBondContact O-NH1 3.26Å; R164-R191 PolarHBondContact O-NH2 2.99Å
165P76.7Confident67.9Low62 Ų6292.4 Ų92.440%0.40344%0.439SS..  trans-60.1149.9178.323.8-33.1000110.7R191P165-R191 PolarHBondContact O-NH2 2.86Å
166V76.2Confident66.9Low6 Ų691.5 Ų91.54%0.03644%0.44CS..SBendtrans-71-37-179.7173.60000111.3P102 T119 G120 L121 A184 V188P102-V166 HydrophobicContact CB-CB 4.32Å; P102-V166 HydrophobicContact CB-CG2 4.25Å; P102-V166 HydrophobicContact CG-CB 4.46Å; T119-V166 HydrophobicContact CG2-CG2 3.89Å; G120-V166 WeakPolarHBondContact O-CG2 3.24Å; L121-V166 HydrophobicContact CB-CG1 4.25Å; L121-V166 HydrophobicContact CB-CG2 4.44Å; L121-V166 HydrophobicContact CD1-CG1 4.03Å; L121-V166 HydrophobicContact CD2-CG1 4.19Å; L121-V166 HydrophobicContact CG-CG1 4.38Å; V166-A184 HydrophobicContact CG1-CB 3.98Å; V166-V188 HydrophobicContact CB-CG2 4.15Å; V166-V188 HydrophobicContact CG1-CG2 3.47Å; V166-V188 VanDerWaalsContact CG1-CG2 3.47Å; V166-V188 HydrophobicContact CG2-CG2 3.77Å
167M69.2Low66Low11 Ų1188.7 Ų88.75%0.05442%0.42CS..SBendtrans-120.8131.5176.7-80.9-178.6-88.500110.3F12 P102 M169 V172 L181 A184F12-M167 HydrophobicContact CD2-CE 3.57Å; F12-M167 HydrophobicContact CD2-SD 4.14Å; F12-M167 HydrophobicContact CE2-CE 3.43Å; F12-M167 VanDerWaalsContact CE2-CE 3.43Å; F12-M167 HydrophobicContact CE2-SD 3.6Å; F12-M167 VanDerWaalsContact CE2-SD 3.6Å; F12-M167 HydrophobicContact CZ-SD 4.39Å; P102-M167 HydrophobicContact CG-CE 4.27Å; M167-M169 PolarHBondContact O-N 2.81Å; M167-V172 HydrophobicContact CB-CG2 4.32Å; M167-V172 HydrophobicContact SD-CG2 4.44Å; M167-L181 HydrophobicContact CE-CD2 4.29Å; M167-L181 HydrophobicContact SD-CD2 4.16Å; M167-A184 HydrophobicContact CG-CB 3.66Å; M167-A184 HydrophobicContact SD-CB 4.41Å
168N64.3Low65Low93 Ų9387.6 Ų87.650%0.49741%0.414SS..  trans-78.7109169.4-173.8-9000108.4N170 T171 V172N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 PolarHBondContact OD1-N 3.14Å; N168-T171 HydrophobicContact CB-CG2 4.49Å; N168-T171 PolarHBondContact O-N 2.96Å; N168-T171 PolarHBondContact O-OG1 2.89Å; N168-V172 PolarHBondContact O-N 3.18Å
169M55.6Low64.1Low78 Ų7886.5 Ų86.538%0.38441%0.413SS..Hα-helixtrans-55.7-26.8-178.2-73.4-160.5178.700113.2Q10 M167 T171Q10-M169 HydrophobicContact CG-CE 3.21Å; Q10-M169 HydrophobicContact CG-CG 4.5Å; M167-M169 PolarHBondContact O-N 2.81Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 3.25Å
170N55.1Low63.7Low127 Ų12783.2 Ų83.268%0.67940%0.399SS*.Hα-helixtrans-70.7-27.1179-65.8-15.2000112.7N168 Y174N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 PolarHBondContact OD1-N 3.14Å; N170-Y174 WeakPolarHBondContact O-CD2 3.29Å
171T48.9Very low63.2Low60 Ų6076.8 Ų76.837%0.36837%0.369SS..Hα-helixtrans-90.6-24.4-179.553.20000113.2N168 M169 R173 Y174 N175 N180N168-T171 HydrophobicContact CB-CG2 4.49Å; N168-T171 PolarHBondContact O-N 2.96Å; N168-T171 PolarHBondContact O-OG1 2.89Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 3.25Å; T171-R173 PolarHBondContact O-N 3.04Å; T171-Y174 PolarHBondContact O-N 3.41Å; T171-N175 PolarHBondContact O-N 2.96Å; T171-N180 PolarHBondContact O-ND2 3.19Å; T171-N180 VanDerWaalsContact O-ND2 3.1Å
172V49.2Very low62.7Low14 Ų1473.4 Ų73.49%0.08536%0.361CS..Hα-helixtrans-61.8-33.9179.2-1790000111.9F12 M32 M167 N168 Y174 L177 N180F12-V172 HydrophobicContact CE1-CG1 4.39Å; F12-V172 HydrophobicContact CZ-CG1 4.03Å; M32-V172 HydrophobicContact SD-CG1 4.04Å; M167-V172 HydrophobicContact CB-CG2 4.32Å; M167-V172 HydrophobicContact SD-CG2 4.44Å; N168-V172 PolarHBondContact O-N 3.18Å; V172-Y174 VanDerWaalsContact C-N 3.34Å; V172-Y174 PolarHBondContact O-N 2.64Å; V172-L177 HydrophobicContact CG1-CG 4.48Å; V172-N180 WeakPolarHBondContact CA-ND2 3.4Å
173R46.9Very low62.5Low217 Ų21776.7 Ų76.782%0.81938%0.381SS*.THydrogen-bonded Turntrans-69.6-24.3179.4-115-176.9-173.3-175.82.5115T171T171-R173 PolarHBondContact O-N 3.04Å
174Y39.6Very low62.4Low204 Ų20473 Ų7380%0.836%0.363SS*.THydrogen-bonded Turntrans-111.8-21.5-167.7-75.1-79.3000114.7N170 T171 V172N170-Y174 WeakPolarHBondContact O-CD2 3.29Å; T171-Y174 PolarHBondContact O-N 3.41Å; V172-Y174 VanDerWaalsContact C-N 3.34Å; V172-Y174 PolarHBondContact O-N 2.64Å
175N46Very low62.2Low89 Ų8968.8 Ų68.848%0.47635%0.35SS..SBendtrans-109.2152.9180-88.7-13.6000110.9T171 L177 N180T171-N175 PolarHBondContact O-N 2.96Å; N175-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-N180 VanDerWaalsContact CB-ND2 3.28Å; N175-N180 WeakPolarHBondContact CB-ND2 2.89Å; N175-N180 WeakPolarHBondContact CB-OD1 3.49Å; N175-N180 PolarHBondContact O-ND2 3.43Å
176S56.1Low62.4Low78 Ų7874 Ų7455%0.54536%0.363SS..  trans-52.4126.6174.570.30000108.9I178 S179 N180S176-I178 PolarHBondContact O-N 3.46Å; S176-S179 PolarHBondContact O-N 2.95Å; S176-S179 PolarHBondContact O-OG 2.92Å; S176-S179 WeakPolarHBondContact OG-CB 3.43Å; S176-S179 PolarHBondContact OG-OG 3.38Å; S176-N180 PolarHBondContact O-N 3.37Å
177L60.6Low62.6Low42 Ų4276.1 Ų76.122%0.2238%0.375CS..Hα-helixtrans-48.4-36.6-175.1-116.6126.7000112.6F12 L28 V172 N175 N180 L181F12-L177 HydrophobicContact CD1-CD2 3.61Å; F12-L177 HydrophobicContact CE1-CD2 3.6Å; F12-L177 HydrophobicContact CG-CD2 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.47Å; L28-L177 HydrophobicContact CD1-CD2 4.14Å; L28-L177 HydrophobicContact CD2-CB 4.37Å; L28-L177 HydrophobicContact CD2-CD1 3.42Å; L28-L177 VanDerWaalsContact CD2-CD1 3.42Å; L28-L177 HydrophobicContact CD2-CD2 3.61Å; L28-L177 HydrophobicContact CD2-CG 3.96Å; L28-L177 HydrophobicContact CG-CD2 4.46Å; V172-L177 HydrophobicContact CG1-CG 4.48Å; N175-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact O-N 3.15Å; L177-N180 PolarHBondContact O-N 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.25Å; L177-L181 PolarHBondContact O-N 3.49Å
178I58.7Low63.1Low87 Ų8776.1 Ų76.145%0.44638%0.375SS..Hα-helixtrans-61.1-46.7175.9-59.5169.6000112.1W14 S176 N180 L181 N182W14-I178 HydrophobicContact CH2-CD1 3.82Å; W14-I178 HydrophobicContact CH2-CG1 3.58Å; W14-I178 HydrophobicContact CZ3-CD1 4.43Å; W14-I178 HydrophobicContact CZ3-CG1 3.71Å; S176-I178 PolarHBondContact O-N 3.46Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.06Å; I178-L181 PolarHBondContact O-N 3.32Å; I178-N182 PolarHBondContact O-N 3.42Å; I178-N182 VanDerWaalsContact O-N 3.15Å
179S60.6Low63.9Low35 Ų3577.2 Ų77.225%0.24538%0.378CS..Hα-helixtrans-64.5-37.3-179.7690000111.8S176 N182 N183S176-S179 PolarHBondContact O-N 2.95Å; S176-S179 PolarHBondContact O-OG 2.92Å; S176-S179 WeakPolarHBondContact OG-CB 3.43Å; S176-S179 PolarHBondContact OG-OG 3.38Å; S179-N182 PolarHBondContact O-N 2.86Å; S179-N183 VanDerWaalsContact O-CG 3.25Å; S179-N183 PolarHBondContact O-N 3.25Å; S179-N183 VanDerWaalsContact O-N 3.09Å; S179-N183 PolarHBondContact O-ND2 2.94Å
180N68.2Low65.2Low11 Ų1180.4 Ų80.46%0.05940%0.397CS..Hα-helixtrans-68.6-37177.3-72.5-38.3000112.4T171 V172 N175 S176 L177 I178 N183 A184T171-N180 PolarHBondContact O-ND2 3.19Å; T171-N180 VanDerWaalsContact O-ND2 3.1Å; V172-N180 WeakPolarHBondContact CA-ND2 3.4Å; N175-N180 VanDerWaalsContact CB-ND2 3.28Å; N175-N180 WeakPolarHBondContact CB-ND2 2.89Å; N175-N180 WeakPolarHBondContact CB-OD1 3.49Å; N175-N180 PolarHBondContact O-ND2 3.43Å; S176-N180 PolarHBondContact O-N 3.37Å; L177-N180 PolarHBondContact O-N 3.3Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.06Å; N180-N183 PolarHBondContact O-N 3.1Å; N180-A184 WeakPolarHBondContact O-CB 3.4Å; N180-A184 PolarHBondContact O-N 3.03Å
181L71.6Confident66.6Low4 Ų475.5 Ų75.52%0.02137%0.369CS..Hα-helixtrans-64.9-43.7175.8-76.9167.9000112.3F100 M167 L177 I178 N183 A184 L185F100-L181 HydrophobicContact CB-CD2 4.07Å; F100-L181 HydrophobicContact CD1-CD2 3.75Å; F100-L181 HydrophobicContact CD2-CD1 4.04Å; F100-L181 HydrophobicContact CD2-CD2 3.54Å; F100-L181 HydrophobicContact CD2-CG 4.39Å; F100-L181 HydrophobicContact CE1-CD2 3.95Å; F100-L181 HydrophobicContact CE2-CB 4.48Å; F100-L181 HydrophobicContact CE2-CD1 3.7Å; F100-L181 HydrophobicContact CE2-CD2 3.72Å; F100-L181 HydrophobicContact CE2-CG 4.18Å; F100-L181 HydrophobicContact CG-CD2 3.52Å; F100-L181 HydrophobicContact CZ-CB 4.25Å; F100-L181 HydrophobicContact CZ-CD1 4.29Å; F100-L181 HydrophobicContact CZ-CD2 3.93Å; F100-L181 HydrophobicContact CZ-CG 4.39Å; M167-L181 HydrophobicContact CE-CD2 4.29Å; M167-L181 HydrophobicContact SD-CD2 4.16Å; L177-L181 WeakPolarHBondContact O-CG 3.25Å; L177-L181 PolarHBondContact O-N 3.49Å; I178-L181 PolarHBondContact O-N 3.32Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 3.28Å; L181-A184 PolarHBondContact O-N 2.83Å; L181-L185 PolarHBondContact O-N 2.9Å
182N72Confident68.3Low82 Ų8274 Ų7444%0.43936%0.359SS..Hα-helixtrans-61.8-45.4175.8-74.6-13.7000110.9I178 S179 A184 L185 Y186I178-N182 PolarHBondContact O-N 3.42Å; I178-N182 VanDerWaalsContact O-N 3.15Å; S179-N182 PolarHBondContact O-N 2.86Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 3.26Å; N182-L185 WeakPolarHBondContact O-CB 3.29Å; N182-L185 PolarHBondContact O-N 2.79Å; N182-Y186 WeakPolarHBondContact O-CD2 3.01Å; N182-Y186 PolarHBondContact O-N 2.84Å
183N76.7Confident70Confident97 Ų9773.4 Ų73.452%0.51936%0.355SS..Hα-helixtrans-61.9-39176.9-70.2-17.9000112.2S179 N180 L181 Y186 D187S179-N183 VanDerWaalsContact O-CG 3.25Å; S179-N183 PolarHBondContact O-N 3.25Å; S179-N183 VanDerWaalsContact O-N 3.09Å; S179-N183 PolarHBondContact O-ND2 2.94Å; N180-N183 PolarHBondContact O-N 3.1Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 3.28Å; N183-Y186 PolarHBondContact O-N 3.13Å; N183-D187 WeakPolarHBondContact O-CB 3.36Å; N183-D187 PolarHBondContact O-N 3.33Å
184A76.4Confident71.9Confident5 Ų563.3 Ų63.34%0.04132%0.317CS..Hα-helixtrans-63.9-41.4175.600000111.9V166 M167 N180 L181 N182 D187 V188V166-A184 HydrophobicContact CG1-CB 3.98Å; M167-A184 HydrophobicContact CG-CB 3.66Å; M167-A184 HydrophobicContact SD-CB 4.41Å; N180-A184 WeakPolarHBondContact O-CB 3.4Å; N180-A184 PolarHBondContact O-N 3.03Å; L181-A184 PolarHBondContact O-N 2.83Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 3.26Å; A184-D187 PolarHBondContact O-N 3.46Å; A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 VanDerWaalsContact O-CG2 3.27Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 2.85Å
185L78.5Confident74.2Confident42 Ų4253.6 Ų53.622%0.2228%0.28CS..Hα-helixtrans-60.1-45.5173.4-107.1150.7000111.6F100 L121 W123 L181 N182 V188 M189F100-L185 HydrophobicContact CE1-CD1 3.76Å; F100-L185 HydrophobicContact CE1-CG 4.47Å; F100-L185 HydrophobicContact CZ-CD1 4.2Å; L121-L185 HydrophobicContact CD2-CG 4.29Å; W123-L185 HydrophobicContact CD2-CD1 4.35Å; W123-L185 HydrophobicContact CD2-CD2 4.47Å; W123-L185 HydrophobicContact CE3-CD2 4.14Å; L181-L185 PolarHBondContact O-N 2.9Å; N182-L185 WeakPolarHBondContact O-CB 3.29Å; N182-L185 PolarHBondContact O-N 2.79Å; L185-V188 PolarHBondContact O-N 2.94Å; L185-M189 VanDerWaalsContact O-CB 3.32Å; L185-M189 WeakPolarHBondContact O-CB 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.45Å; L185-M189 PolarHBondContact O-N 2.88Å
186Y79.4Confident76.1Confident171 Ų17152.8 Ų52.867%0.67127%0.273SS*.Hα-helixtrans-63.5-46.6176.1-77.4-66.1000112.3N182 N183 V188 M189 D190N182-Y186 WeakPolarHBondContact O-CD2 3.01Å; N182-Y186 PolarHBondContact O-N 2.84Å; N183-Y186 PolarHBondContact O-N 3.13Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.78Å; Y186-M189 PolarHBondContact O-N 3.38Å; Y186-M189 VanDerWaalsContact O-N 3.15Å; Y186-D190 PolarHBondContact O-N 2.8Å
187D80Confident77.7Confident52 Ų5250.1 Ų50.128%0.27825%0.252SS..Hα-helixtrans-62.9-36.7179.3-170.577.8000111.5R164 N183 A184 R191R164-D187 IonicContact CZ-OD1 3.27Å; R164-D187 IonicContact NH1-OD1 3.63Å; R164-D187 PolarHBondContact NH1-OD1 3.14Å; R164-D187 IonicContact NH1-OD2 3.38Å; N183-D187 WeakPolarHBondContact O-CB 3.36Å; N183-D187 PolarHBondContact O-N 3.33Å; A184-D187 PolarHBondContact O-N 3.46Å; D187-R191 WeakPolarHBondContact O-CG 3.29Å; D187-R191 PolarHBondContact O-NE 2.84Å; D187-R191 IonicContact OD2-CZ 3.42Å; D187-R191 IonicContact OD2-NE 2.85Å; D187-R191 IonicContact OD2-NH2 2.81Å; D187-R191 PolarHBondContact OD2-NH2 3.02Å
188V81.2Confident78.8Confident11 Ų1148.8 Ų48.87%0.06725%0.248CC..Hα-helixtrans-70.2-41.6173.2173.20000111.1L121 V166 A184 L185 Y186 D190 R191 T194L121-V188 HydrophobicContact CB-CG1 4.2Å; L121-V188 HydrophobicContact CB-CG2 4.07Å; L121-V188 HydrophobicContact CD2-CG2 4.48Å; V166-V188 HydrophobicContact CB-CG2 4.15Å; V166-V188 HydrophobicContact CG1-CG2 3.47Å; V166-V188 VanDerWaalsContact CG1-CG2 3.47Å; V166-V188 HydrophobicContact CG2-CG2 3.77Å; A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 VanDerWaalsContact O-CG2 3.27Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 2.85Å; L185-V188 PolarHBondContact O-N 2.94Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.78Å; V188-D190 PolarHBondContact O-N 2.88Å; V188-R191 PolarHBondContact O-N 3.41Å; V188-T194 HydrophobicContact CG1-CG2 4.3Å; V188-T194 WeakPolarHBondContact O-CG2 3.4Å
189M80.3Confident80.1Confident115 Ų11551.8 Ų51.857%0.56726%0.258SS*.Hα-helixtrans-64.6-28.9-178.7-77.3-98.9-79.700113.6L185 Y186L185-M189 VanDerWaalsContact O-CB 3.32Å; L185-M189 WeakPolarHBondContact O-CB 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.45Å; L185-M189 PolarHBondContact O-N 2.88Å; Y186-M189 PolarHBondContact O-N 3.38Å; Y186-M189 VanDerWaalsContact O-N 3.15Å
190D83.1Confident81.3Confident145 Ų14552.9 Ų52.978%0.77526%0.263SS*.Hα-helixtrans-85.7-14.4-177.1-158.241.7000113.6Y186 V188Y186-D190 PolarHBondContact O-N 2.8Å; V188-D190 PolarHBondContact O-N 2.88Å
191R85.2Confident82.1Confident25 Ų2557.1 Ų57.19%0.09428%0.283CS..SBendtrans-69.7147.1179.8-32-179.2168.3-173.3-13.4110.7T119 R164 P165 D187 V188 L193 T194T119-R191 PolarHBondContact O-NH1 3.38Å; R164-R191 PolarHBondContact O-NH1 3.26Å; R164-R191 PolarHBondContact O-NH2 2.99Å; P165-R191 PolarHBondContact O-NH2 2.86Å; D187-R191 WeakPolarHBondContact O-CG 3.29Å; D187-R191 PolarHBondContact O-NE 2.84Å; D187-R191 IonicContact OD2-CZ 3.42Å; D187-R191 IonicContact OD2-NE 2.85Å; D187-R191 IonicContact OD2-NH2 2.81Å; D187-R191 PolarHBondContact OD2-NH2 3.02Å; V188-R191 PolarHBondContact O-N 3.41Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 2.89Å; R191-T194 HydrophobicContact CB-CG2 3.52Å; R191-T194 HydrophobicContact CG-CG2 3.99Å; R191-T194 WeakPolarHBondContact O-CG2 3.22Å
192N83.2Confident82.7Confident29 Ų2959.2 Ų59.216%0.15530%0.298CS..SBendtrans-58.3-43.5176.9-178.216000112.1Q145 T146 Q147 Y162Q145-N192 CarbonylContact C-O 3.36Å; Q145-N192 VanDerWaalsContact CA-O 3.25Å; Q145-N192 WeakPolarHBondContact CA-O 3.34Å; T146-N192 PolarHBondContact N-O 2.87Å; T146-N192 PolarHBondContact N-OD1 3.39Å; T146-N192 WeakPolarHBondContact OG1-CA 3.35Å; T146-N192 PolarHBondContact OG1-OD1 3.1Å; T146-N192 VanDerWaalsContact OG1-OD1 3.06Å; Q147-N192 WeakPolarHBondContact CA-OD1 3.34Å; Q147-N192 WeakPolarHBondContact CB-OD1 3.39Å; Q147-N192 PolarHBondContact N-OD1 3.13Å; Q147-N192 PolarHBondContact O-ND2 3.27Å; Q147-N192 PolarHBondContact O-OD1 2.89Å; Q147-N192 VanDerWaalsContact O-OD1 3.12Å; Y162-N192 HydrophobicContact CE1-CB 4.34Å; Y162-N192 PolarHBondContact OH-ND2 2.87Å
193L84.9Confident83.3Confident1 Ų159.8 Ų59.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-130.3119.9-177.1-17474.4000109.7L107 L116 V118 I143 K144 Q145 I149 Y162 R191 L230L107-L193 HydrophobicContact CD1-CD2 3.74Å; L116-L193 HydrophobicContact CD2-CD2 3.87Å; V118-L193 HydrophobicContact CB-CD2 4.46Å; V118-L193 HydrophobicContact CG1-CD2 4.21Å; V118-L193 HydrophobicContact CG1-CG 4.15Å; V118-L193 HydrophobicContact CG2-CD2 3.44Å; V118-L193 VanDerWaalsContact CG2-CD2 3.44Å; V118-L193 HydrophobicContact CG2-CG 4.25Å; I143-L193 HydrophobicContact CG2-CD1 3.33Å; I143-L193 HydrophobicContact CG2-CG 4.27Å; K144-L193 WeakPolarHBondContact O-CA 3.43Å; Q145-L193 HydrophobicContact CB-CD1 3.85Å; Q145-L193 HydrophobicContact CG-CD1 3.93Å; I149-L193 HydrophobicContact CD1-CD1 4.02Å; I149-L193 HydrophobicContact CD1-CD2 3.6Å; I149-L193 HydrophobicContact CD1-CG 4.29Å; Y162-L193 HydrophobicContact CD1-CB 3.77Å; Y162-L193 HydrophobicContact CD1-CD2 4.14Å; Y162-L193 HydrophobicContact CE1-CB 3.72Å; Y162-L193 HydrophobicContact CE1-CD2 4.38Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 2.89Å; L193-L230 HydrophobicContact CD1-CD2 3.82Å
194T87.4Confident83.7Confident4 Ų459.2 Ų59.23%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-142.4163.5-174.380.70000110.4I143 K144 V188 R191I143-T194 WeakPolarHBondContact CA-O 3.11Å; K144-T194 PolarHBondContact N-O 3.47Å; K144-T194 PolarHBondContact O-N 2.81Å; V188-T194 HydrophobicContact CG1-CG2 4.3Å; V188-T194 WeakPolarHBondContact O-CG2 3.4Å; R191-T194 HydrophobicContact CB-CG2 3.52Å; R191-T194 HydrophobicContact CG-CG2 3.99Å; R191-T194 WeakPolarHBondContact O-CG2 3.22Å
195I87.9Confident83.9Confident1 Ų160.7 Ų60.71%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-121.4132.8179.5-56.7175.4000107.9M1 I103 C105 V118 G120 L121 L141 T142M1-I195 HydrophobicContact CE-CD1 4.17Å; M1-I195 HydrophobicContact CE-CG1 4.41Å; I103-I195 HydrophobicContact CG2-CG2 4.2Å; C105-I195 HydrophobicContact CB-CD1 3.45Å; C105-I195 VanDerWaalsContact CB-CD1 3.45Å; V118-I195 HydrophobicContact CB-CD1 4.1Å; V118-I195 HydrophobicContact CG1-CD1 4.11Å; V118-I195 HydrophobicContact CG1-CG1 4.03Å; G120-I195 WeakPolarHBondContact CA-O 3.47Å; L121-I195 PolarHBondContact N-O 3.46Å; L141-I195 HydrophobicContact CD1-CG2 3.56Å; L141-I195 HydrophobicContact CD2-CG2 3.47Å; L141-I195 VanDerWaalsContact CD2-CG2 3.47Å; L141-I195 HydrophobicContact CG-CG2 3.33Å; T142-I195 WeakPolarHBondContact O-CA 3.3Å
196H87.1Confident83.8Confident72 Ų7261.9 Ų61.933%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-142.7171.3178.759.6-72.8000110.2T142T142-H196 PolarHBondContact N-O 3.43Å; T142-H196 PolarHBondContact O-CE1 3.15Å; T142-H196 PolarHBondContact O-N 2.89Å; T142-H196 PolarHBondContact O-ND1 3.42Å; T142-H196 VanDerWaalsContact O-ND1 3.1Å; T142-H196 PolarHBondContact OG1-CD2 2.95Å; T142-H196 PolarHBondContact OG1-CE1 3.39Å; T142-H196 VanDerWaalsContact OG1-CE1 3.27Å; T142-H196 PolarHBondContact OG1-NE2 3.29Å; T142-H196 PolarHBondContact OG1-O 3.22Å
197L87.8Confident83.1Confident22 Ų2255 Ų5512%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-84129.1172.1-67.8-173000110.6I122 N124 S139 L141 I223I122-L197 HydrophobicContact CB-CG 4.46Å; I122-L197 HydrophobicContact CG1-CD2 4.17Å; I122-L197 HydrophobicContact CG1-CG 4.34Å; I122-L197 HydrophobicContact CG2-CD1 3.6Å; I122-L197 HydrophobicContact CG2-CD2 4.37Å; I122-L197 HydrophobicContact CG2-CG 3.93Å; N124-L197 HydrophobicContact CB-CD1 4.43Å; S139-L197 WeakPolarHBondContact OG-CD2 3.49Å; L141-L197 HydrophobicContact CD1-CD2 4.39Å; L197-I223 HydrophobicContact CD2-CD1 4.2Å; L197-I223 HydrophobicContact CD2-CG1 4.29Å; L197-I223 HydrophobicContact CD2-CG2 4.1Å
198G84.6Confident81.9Confident13 Ų1361.3 Ų61.313%0.13432%0.315CS..EExtended strand (participates in β ladder)trans-117.1160169.900000111.6E140 T142 T200E140-G198 PolarHBondContact N-O 3.05Å; E140-G198 PolarHBondContact O-N 2.79Å; E140-G198 VanDerWaalsContact O-O 3.14Å; T142-G198 PolarHBondContact OG1-N 3.42Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 3.15Å; G198-T200 VanDerWaalsContact O-N 3.16Å
199K85Confident80.1Confident150 Ų15065.4 Ų65.465%0.65235%0.35SS*.EExtended strand (participates in β ladder)trans45.845.9178.6-57-169.7-160.1143.50114.2E140 Q201E140-K199 IonicContact OE1-NZ 2.81Å; E140-K199 PolarHBondContact OE1-NZ 2.98Å; E140-K199 WeakPolarHBondContact OE2-CD 3.28Å; E140-K199 WeakPolarHBondContact OE2-CE 3.39Å; E140-K199 IonicContact OE2-NZ 2.75Å; E140-K199 PolarHBondContact OE2-NZ 2.88Å; K199-Q201 PolarHBondContact O-N 2.88Å
200T86.1Confident78.3Confident58 Ų5867.2 Ų67.236%0.35636%0.362SS..EExtended strand (participates in β ladder)trans-70.6128.4-178.1-47.20000111.3N124 I137 Q138 G198N124-T200 WeakPolarHBondContact ND2-CG2 3.03Å; I137-T200 HydrophobicContact CG2-CG2 3.72Å; Q138-T200 CarbonylContact O-C 3.44Å; Q138-T200 WeakPolarHBondContact O-CA 3.34Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 3.15Å; G198-T200 VanDerWaalsContact O-N 3.16Å
201Q86.2Confident76.3Confident100 Ų10062.5 Ų62.547%0.46734%0.344SS..EExtended strand (participates in β ladder)trans-116.4130.7170.1-61.2-178.4-5.200108.4I137 Q138 K199 F203I137-Q201 WeakPolarHBondContact CA-O 3.37Å; Q138-Q201 PolarHBondContact N-O 2.87Å; Q138-Q201 PolarHBondContact O-N 3.27Å; K199-Q201 PolarHBondContact O-N 2.88Å; Q201-F203 HydrophobicContact CB-CE2 3.83Å; Q201-F203 HydrophobicContact CB-CZ 4.45Å
202C83.9Confident74.4Confident49 Ų4969 Ų6933%0.33138%0.375SS..EExtended strand (participates in β ladder)trans-118.9130178.1-63.50000109F126 F136F126-C202 HydrophobicContact CD2-CB 4.44Å; F136-C202 CarbonylContact O-C 3.58Å; F136-C202 WeakPolarHBondContact O-CA 3.22Å
203F84.6Confident72.6Confident94 Ų9471.6 Ų71.641%0.41240%0.395SS..EExtended strand (participates in β ladder)trans-121.1135.9172.5-60.4-88.3000107.7W67 F136 Q201W67-F203 HydrophobicContact CH2-CD2 4.1Å; W67-F203 HydrophobicContact CH2-CE1 4.17Å; W67-F203 AromaticContact CH2-CE2 3.51Å; W67-F203 HydrophobicContact CH2-CE2 3.51Å; W67-F203 AromaticContact CH2-CZ 3.55Å; W67-F203 HydrophobicContact CH2-CZ 3.55Å; W67-F203 AromaticContact CZ2-CD2 3.8Å; W67-F203 HydrophobicContact CZ2-CD2 3.8Å; W67-F203 AromaticContact CZ2-CE2 3.37Å; W67-F203 HydrophobicContact CZ2-CE2 3.37Å; W67-F203 AromaticContact CZ2-CZ 3.94Å; W67-F203 HydrophobicContact CZ2-CZ 3.94Å; F136-F203 HydrophobicContact CB-CB 4.32Å; F136-F203 PolarHBondContact N-O 2.9Å; F136-F203 PolarHBondContact O-N 2.9Å; Q201-F203 HydrophobicContact CB-CE2 3.83Å; Q201-F203 HydrophobicContact CB-CZ 4.45Å
204M85.3Confident71Confident85 Ų8575.9 Ų75.942%0.41943%0.425SS..EExtended strand (participates in β ladder)trans-120.9141.6177.369.8175.8-171.800110.1F126 S128 I132 D134 L135 T206F126-M204 HydrophobicContact CE1-CB 4.43Å; F126-M204 HydrophobicContact CE1-SD 3.91Å; F126-M204 HydrophobicContact CZ-CG 4.5Å; F126-M204 HydrophobicContact CZ-SD 3.77Å; S128-M204 PolarHBondContact OG-SD 3.41Å; I132-M204 HydrophobicContact CG1-SD 4.41Å; I132-M204 HydrophobicContact CG2-CB 4.08Å; D134-M204 CarbonylContact O-C 3.59Å; D134-M204 VanDerWaalsContact O-CA 3.32Å; D134-M204 WeakPolarHBondContact O-CA 3.49Å; L135-M204 HydrophobicContact CD1-CB 4.2Å; M204-T206 HydrophobicContact CE-CG2 4.16Å; M204-T206 HydrophobicContact SD-CG2 4.45Å
205S81.2Confident69.7Low36 Ų3679.2 Ų79.225%0.25244%0.441SS..EExtended strand (participates in β ladder)trans-100.2141.6160.8730000108.5T133 D134T133-S205 PolarHBondContact N-O 2.81Å; T133-S205 PolarHBondContact OG1-O 3.42Å; T133-S205 PolarHBondContact OG1-OG 3.09Å; D134-S205 WeakPolarHBondContact CA-OG 3.39Å; D134-S205 WeakPolarHBondContact CB-OG 3.34Å; D134-S205 PolarHBondContact N-OG 3.31Å; D134-S205 PolarHBondContact O-N 3.5Å; D134-S205 PolarHBondContact OD2-OG 3.32Å
206T76.4Confident68.9Low67 Ų6781.8 Ų81.841%0.41146%0.459SS..  trans-117.1136.7174.556.60000107.3T130 S131 M204T130-T206 WeakPolarHBondContact OG1-CG2 3.11Å; S131-T206 WeakPolarHBondContact O-CG2 3.32Å; M204-T206 HydrophobicContact CE-CG2 4.16Å; M204-T206 HydrophobicContact SD-CG2 4.45Å
207S64.7Low68.3Low26 Ų2678.5 Ų78.518%0.18244%0.444CS..  trans-67.7135.4171.646.30000110.9A209 A211 E215S207-A209 PolarHBondContact O-N 3.24Å; S207-A211 WeakPolarHBondContact OG-CB 3.41Å; S207-E215 WeakPolarHBondContact CB-OE1 3.47Å; S207-E215 WeakPolarHBondContact CB-OE2 3.46Å; S207-E215 PolarHBondContact OG-OE1 3.33Å; S207-E215 PolarHBondContact OG-OE2 3.21Å
208E52.9Low68.1Low184 Ų18479.4 Ų79.486%0.8645%0.447SS*.  trans-72.6113173.2-73.7-175.1162.400109.4D210E208-D210 VanDerWaalsContact C-N 3.25Å; E208-D210 PolarHBondContact O-N 2.98Å
209A43.3Very low68Low97 Ų9778.8 Ų78.880%0.80244%0.441SS*.SBendtrans44.2-16.8156.400000122.9S207S207-A209 PolarHBondContact O-N 3.24Å
210D42.7Very low68Low153 Ų15372.1 Ų72.182%0.81841%0.412SS*.  trans-144.238.8-174.2-75.4-45.3000112.6E208 Q212E208-D210 VanDerWaalsContact C-N 3.25Å; E208-D210 PolarHBondContact O-N 2.98Å; D210-Q212 PolarHBondContact O-N 2.74Å
211A42.7Very low68Low47 Ų4769.4 Ų69.439%0.38840%0.396SS..  trans-61.4115.5176.800000113.3S207 E215S207-A211 WeakPolarHBondContact OG-CB 3.41Å; A211-E215 HydrophobicContact CB-CG 4.15Å; A211-E215 WeakPolarHBondContact CB-OE1 3.28Å; A211-E215 WeakPolarHBondContact CB-OE2 3.1Å
212Q43.7Very low67.9Low162 Ų16265.7 Ų65.776%0.75738%0.38SS*.  trans-63.2151.8173.2-76177.3-300111.5D210 S214 E215D210-Q212 PolarHBondContact O-N 2.74Å; Q212-S214 PolarHBondContact O-N 3.23Å; Q212-E215 PolarHBondContact O-N 2.84Å
213S46.8Very low68Low82 Ų8263.3 Ų63.357%0.57336%0.364SS*.THydrogen-bonded Turntrans-60.613.3-171.350.90000117.2
214S51.2Low67.9Low91 Ų9160.1 Ų60.164%0.63635%0.351SS*.THydrogen-bonded Turntrans-133.334.8-179.170.70000112.7Q212 S216Q212-S214 PolarHBondContact O-N 3.23Å; S214-S216 PolarHBondContact O-N 2.9Å
215E60.2Low67.8Low75 Ų7556.9 Ų56.935%0.3534%0.335SS..PPolyproline II helixtrans-70.7122.1174-79.3-171.7163.100110.5T133 S207 A211 Q212T133-E215 WeakPolarHBondContact CG2-OE2 3.46Å; S207-E215 WeakPolarHBondContact CB-OE1 3.47Å; S207-E215 WeakPolarHBondContact CB-OE2 3.46Å; S207-E215 PolarHBondContact OG-OE1 3.33Å; S207-E215 PolarHBondContact OG-OE2 3.21Å; A211-E215 HydrophobicContact CB-CG 4.15Å; A211-E215 WeakPolarHBondContact CB-OE1 3.28Å; A211-E215 WeakPolarHBondContact CB-OE2 3.1Å; Q212-E215 PolarHBondContact O-N 2.84Å
216S69.9Low67.5Low55 Ų5556 Ų5639%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-75.1129.4169.553.50000109.3I86 S214I86-S216 CarbonylContact O-C 3.47Å; I86-S216 WeakPolarHBondContact O-CA 3.37Å; S214-S216 PolarHBondContact O-N 2.9Å
217F75.8Confident67.2Low3 Ų361.2 Ų61.21%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-92.2118.3172.8173-115.8000110.2I86 I94 K97 I132 T133 L135 I219I86-F217 HydrophobicContact CB-CB 4.34Å; I86-F217 HydrophobicContact CB-CD1 4.26Å; I86-F217 HydrophobicContact CD1-CD1 3.58Å; I86-F217 HydrophobicContact CD1-CE1 3.99Å; I86-F217 PolarHBondContact N-O 2.85Å; I86-F217 PolarHBondContact O-N 3.35Å; I94-F217 HydrophobicContact CB-CG 4.47Å; I94-F217 HydrophobicContact CD1-CB 3.35Å; I94-F217 HydrophobicContact CD1-CD1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.71Å; I94-F217 HydrophobicContact CG2-CD1 3.99Å; I94-F217 HydrophobicContact CG2-CD2 4.07Å; I94-F217 HydrophobicContact CG2-CE1 3.92Å; I94-F217 HydrophobicContact CG2-CE2 4.04Å; I94-F217 HydrophobicContact CG2-CG 4.06Å; I94-F217 HydrophobicContact CG2-CZ 3.96Å; K97-F217 HydrophobicContact CG-CZ 4.46Å; I132-F217 HydrophobicContact CB-CD2 4.37Å; I132-F217 HydrophobicContact CB-CE2 3.84Å; I132-F217 HydrophobicContact CG2-CD2 4.33Å; I132-F217 HydrophobicContact CG2-CE2 3.66Å; I132-F217 WeakPolarHBondContact O-CD2 3.36Å; T133-F217 CarbonylContact O-C 3.58Å; T133-F217 VanDerWaalsContact O-CA 3.25Å; T133-F217 WeakPolarHBondContact O-CA 3.39Å; T133-F217 VanDerWaalsContact O-CD2 3.32Å; T133-F217 WeakPolarHBondContact O-CD2 3.39Å; L135-F217 HydrophobicContact CB-CE2 4.21Å; L135-F217 HydrophobicContact CB-CZ 4.27Å; F217-I219 HydrophobicContact CD1-CD1 4.37Å; F217-I219 HydrophobicContact CD1-CG1 4.21Å; F217-I219 HydrophobicContact CE1-CD1 3.51Å; F217-I219 HydrophobicContact CE1-CG1 3.46Å; F217-I219 VanDerWaalsContact CE1-CG1 3.46Å; F217-I219 HydrophobicContact CE2-CG1 4.45Å; F217-I219 HydrophobicContact CZ-CD1 4Å; F217-I219 HydrophobicContact CZ-CG1 3.6Å
218H82.6Confident67.7Low41 Ų4162.9 Ų62.919%0.1935%0.353CS..EExtended strand (participates in β ladder)trans-107.4125.3-177.8-169.571000111D85 T133 D134 L135 T220D85-H218 IonicContact OD1-CE1 3.72Å; D85-H218 PolarHBondContact OD1-CE1 3.38Å; D85-H218 IonicContact OD1-CG 3.52Å; D85-H218 IonicContact OD1-ND1 2.82Å; D85-H218 PolarHBondContact OD1-ND1 2.74Å; T133-H218 PolarHBondContact O-N 2.92Å; D134-H218 CarbonylContact C-O 3.6Å; D134-H218 VanDerWaalsContact CA-O 3.31Å; D134-H218 WeakPolarHBondContact CA-O 3.49Å; D134-H218 WeakPolarHBondContact OD1-CB 3.44Å; L135-H218 PolarHBondContact N-O 2.8Å; H218-T220 PolarHBondContact CD2-OG1 2.8Å; H218-T220 PolarHBondContact NE2-OG1 2.87Å
219I83Confident68.5Low0 Ų063.2 Ų63.20%036%0.355CS..EExtended strand (participates in β ladder)trans-109.6119.4168.8-55.1162.3000108.3S83 I84 I86 K97 L99 L135 I137 F217S83-I219 CarbonylContact C-O 3.57Å; S83-I219 VanDerWaalsContact CA-O 3.29Å; S83-I219 WeakPolarHBondContact CA-O 3.41Å; I84-I219 HydrophobicContact CB-CB 4.16Å; I84-I219 HydrophobicContact CB-CD1 4.4Å; I84-I219 HydrophobicContact CD1-CD1 4.45Å; I84-I219 PolarHBondContact N-O 2.81Å; I84-I219 PolarHBondContact O-N 3.27Å; I86-I219 HydrophobicContact CD1-CD1 4.26Å; K97-I219 HydrophobicContact CB-CD1 4.38Å; K97-I219 HydrophobicContact CD-CD1 4.01Å; K97-I219 HydrophobicContact CG-CD1 4.01Å; L99-I219 HydrophobicContact CD1-CG2 4.44Å; L135-I219 HydrophobicContact CB-CG1 4.3Å; L135-I219 HydrophobicContact CD2-CG1 4.47Å; L135-I219 HydrophobicContact CD2-CG2 4.43Å; L135-I219 CarbonylContact O-C 3.53Å; L135-I219 WeakPolarHBondContact O-CA 3.29Å; I137-I219 HydrophobicContact CD1-CG2 4.27Å; F217-I219 HydrophobicContact CD1-CD1 4.37Å; F217-I219 HydrophobicContact CD1-CG1 4.21Å; F217-I219 HydrophobicContact CE1-CD1 3.51Å; F217-I219 HydrophobicContact CE1-CG1 3.46Å; F217-I219 VanDerWaalsContact CE1-CG1 3.46Å; F217-I219 HydrophobicContact CE2-CG1 4.45Å; F217-I219 HydrophobicContact CZ-CD1 4Å; F217-I219 HydrophobicContact CZ-CG1 3.6Å
220T85Confident70Confident9 Ų960 Ų606%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-107.7115.1168.6-390000109.2E81 L135 F136 I137 H218 V222E81-T220 HydrophobicContact CG-CG2 4.07Å; E81-T220 WeakPolarHBondContact OE1-CG2 2.94Å; L135-T220 PolarHBondContact O-N 2.82Å; F136-T220 WeakPolarHBondContact CA-O 3.16Å; F136-T220 HydrophobicContact CD1-CG2 4.3Å; F136-T220 WeakPolarHBondContact CD1-OG1 3.45Å; F136-T220 HydrophobicContact CE1-CG2 4.38Å; F136-T220 WeakPolarHBondContact CE1-OG1 3.45Å; I137-T220 PolarHBondContact N-O 2.81Å; H218-T220 PolarHBondContact CD2-OG1 2.8Å; H218-T220 PolarHBondContact NE2-OG1 2.87Å; T220-V222 HydrophobicContact CG2-CG2 4.24Å
221L85.2Confident71.5Confident2 Ų258.5 Ų58.51%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-107111.5174.217464.5000109.6E81 I82 L99 I101 I122 I137 I223E81-L221 CarbonylContact C-O 3.57Å; E81-L221 WeakPolarHBondContact CA-O 3.43Å; I82-L221 HydrophobicContact CB-CB 4.29Å; I82-L221 HydrophobicContact CD1-CD2 4.35Å; I82-L221 PolarHBondContact N-O 3.16Å; I82-L221 PolarHBondContact O-N 2.87Å; L99-L221 HydrophobicContact CD1-CD2 4.49Å; I101-L221 HydrophobicContact CD1-CD2 4.45Å; I122-L221 HydrophobicContact CG2-CD2 4.09Å; I137-L221 HydrophobicContact CB-CD1 3.68Å; I137-L221 HydrophobicContact CG2-CD1 3.48Å; I137-L221 VanDerWaalsContact CG2-CD1 3.48Å; I137-L221 CarbonylContact O-C 3.58Å; I137-L221 WeakPolarHBondContact O-CA 3.43Å; L221-I223 HydrophobicContact CD1-CG1 4.09Å; L221-I223 HydrophobicContact CD2-CD1 3.96Å; L221-I223 HydrophobicContact CD2-CG1 4.25Å; L221-I223 HydrophobicContact CG-CD1 4.12Å; L221-I223 HydrophobicContact CG-CG1 3.85Å
222V84.8Confident73Confident21 Ų2158.4 Ų58.413%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-104120.3174.3-177.40000109.2I80 E81 I137 Q138 S139 T220I80-V222 CarbonylContact O-C 3.6Å; I80-V222 WeakPolarHBondContact O-CA 3.35Å; E81-V222 HydrophobicContact CG-CG2 4.34Å; I137-V222 PolarHBondContact O-N 3.35Å; Q138-V222 CarbonylContact C-O 3.5Å; Q138-V222 WeakPolarHBondContact CA-O 3.39Å; S139-V222 PolarHBondContact N-O 2.71Å; T220-V222 HydrophobicContact CG2-CG2 4.24Å
223I85.3Confident74.5Confident0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-115.5112.9-179.1-50175.8000108.6A79 I80 I122 S139 L141 L197 L221A79-I223 CarbonylContact C-O 3.6Å; A79-I223 WeakPolarHBondContact CA-O 3.31Å; I80-I223 HydrophobicContact CB-CB 4.37Å; I80-I223 PolarHBondContact N-O 2.88Å; I80-I223 PolarHBondContact O-N 3.04Å; I122-I223 HydrophobicContact CD1-CD1 3.4Å; I122-I223 VanDerWaalsContact CD1-CD1 3.4Å; I122-I223 HydrophobicContact CG1-CD1 4.17Å; S139-I223 CarbonylContact O-C 3.55Å; S139-I223 WeakPolarHBondContact O-CA 3.21Å; L141-I223 HydrophobicContact CB-CG2 3.81Å; L141-I223 HydrophobicContact CD1-CG2 3.73Å; L141-I223 HydrophobicContact CG-CG2 4.37Å; L197-I223 HydrophobicContact CD2-CD1 4.2Å; L197-I223 HydrophobicContact CD2-CG1 4.29Å; L197-I223 HydrophobicContact CD2-CG2 4.1Å; L221-I223 HydrophobicContact CD1-CG1 4.09Å; L221-I223 HydrophobicContact CD2-CD1 3.96Å; L221-I223 HydrophobicContact CD2-CG1 4.25Å; L221-I223 HydrophobicContact CG-CD1 4.12Å; L221-I223 HydrophobicContact CG-CG1 3.85Å
224N83.9Confident75.6Confident27 Ų2754 Ų5414%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-78.7138.1173.2-67.1-20.9000109.9S139 E140 L141 P226S139-N224 PolarHBondContact O-N 2.87Å; E140-N224 HydrophobicContact CG-CB 4.22Å; L141-N224 PolarHBondContact N-O 2.78Å; N224-P226 VanDerWaalsContact C-CD 3.5Å; N224-P226 WeakPolarHBondContact O-CD 3.37Å
225L81.7Confident76.4Confident17 Ų1752 Ų529%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-109.483.5177.3-65.2114.6000110.8C4 K78 I80 L141C4-L225 HydrophobicContact CB-CD2 3.76Å; C4-L225 WeakPolarHBondContact SG-CD2 3.48Å; K78-L225 HydrophobicContact CB-CB 4.43Å; K78-L225 HydrophobicContact CB-CD1 4.23Å; K78-L225 WeakPolarHBondContact O-CB 3.15Å; K78-L225 WeakPolarHBondContact O-CD1 3.47Å; K78-L225 PolarHBondContact O-N 3.27Å; I80-L225 HydrophobicContact CB-CD1 4.48Å; I80-L225 HydrophobicContact CD1-CD1 4.02Å; I80-L225 HydrophobicContact CG1-CD1 3.94Å; L141-L225 HydrophobicContact CD2-CD2 3.83Å
226P74.8Confident76.9Confident16 Ų1655.6 Ų55.610%0.10428%0.282CS..  trans-66.8155175.829.4-34.7000111.5Y77 N224Y77-P226 HydrophobicContact CD1-CB 4.33Å; Y77-P226 HydrophobicContact CE1-CB 4.11Å; N224-P226 VanDerWaalsContact C-CD 3.5Å; N224-P226 WeakPolarHBondContact O-CD 3.37Å
227E71.9Confident76.9Confident178 Ų17859.4 Ų59.483%0.83230%0.296SS*.  trans-67.8134.4166-66.7-172.6164.900109.5
228Q74.7Confident76.6Confident60 Ų6063.8 Ų63.828%0.2832%0.316SS..  trans-134.3140.8-177.7-74.4-179.212.500110L141 I143L141-Q228 PolarHBondContact O-NE2 2.81Å; I143-Q228 HydrophobicContact CD1-CB 4.06Å
229E70.3Confident76Confident192 Ų19267.8 Ų67.890%0.89733%0.33SS*.  trans-84.8134.2176-63.5-176.3173.500109.8
230L73.2Confident75.4Confident29 Ų2971 Ų7115%0.15235%0.346CS..  trans-102.5140.8174.2-69164.6000109.2L107 I143 L193 F232L107-L230 HydrophobicContact CB-CD1 4.18Å; L107-L230 HydrophobicContact CD1-CD1 3.79Å; L107-L230 HydrophobicContact CD1-CD2 4.15Å; L107-L230 HydrophobicContact CD2-CD1 4.42Å; L107-L230 HydrophobicContact CG-CD1 4.36Å; I143-L230 HydrophobicContact CD1-CD2 4Å; I143-L230 HydrophobicContact CG2-CD2 4.03Å; L193-L230 HydrophobicContact CD1-CD2 3.82Å; L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.69Å; L230-F232 HydrophobicContact CB-CZ 3.8Å; L230-F232 HydrophobicContact CD1-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.34Å; L230-F232 PolarHBondContact O-N 2.85Å
231L75Confident75.1Confident121 Ų12177.5 Ų77.563%0.63437%0.374SS*.  trans-82.2109.5174.8-63172.9000108.9Q145 S148 I149Q145-L231 PolarHBondContact NE2-O 2.81Å; S148-L231 CarbonylContact C-O 3.42Å; S148-L231 VanDerWaalsContact CA-O 3.26Å; S148-L231 WeakPolarHBondContact CA-O 3.45Å; I149-L231 PolarHBondContact N-O 3.03Å
232F75.1Confident74.4Confident45 Ų4586.4 Ų86.420%0.19741%0.408CS..EExtended strand (participates in β ladder)trans-96145.4174.5-65.9-76.2000111.4H109 F114 I149 L151 L230 T234H109-F232 HydrophobicContact CB-CE2 4.49Å; H109-F232 HydrophobicContact CB-CZ 4.18Å; H109-F232 AromaticContact ND1-CE2 3.74Å; F114-F232 HydrophobicContact CD1-CE1 4.36Å; F114-F232 HydrophobicContact CE1-CE1 4.15Å; I149-F232 HydrophobicContact CB-CD1 4.19Å; I149-F232 HydrophobicContact CB-CE1 4.45Å; I149-F232 HydrophobicContact CG2-CD1 4.39Å; I149-F232 HydrophobicContact CG2-CE1 4.38Å; I149-F232 CarbonylContact O-C 3.57Å; I149-F232 VanDerWaalsContact O-CA 3.3Å; I149-F232 WeakPolarHBondContact O-CA 3.25Å; L151-F232 HydrophobicContact CB-CB 4.36Å; L151-F232 HydrophobicContact CB-CD1 4.05Å; L151-F232 HydrophobicContact CB-CG 4.38Å; L151-F232 HydrophobicContact CD1-CB 4.42Å; L151-F232 HydrophobicContact CD1-CD1 3.46Å; L151-F232 VanDerWaalsContact CD1-CD1 3.46Å; L151-F232 HydrophobicContact CD1-CD2 4.04Å; L151-F232 HydrophobicContact CD1-CE1 3.56Å; L151-F232 HydrophobicContact CD1-CE2 4.12Å; L151-F232 HydrophobicContact CD1-CG 3.7Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CD1 4.39Å; L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.69Å; L230-F232 HydrophobicContact CB-CZ 3.8Å; L230-F232 HydrophobicContact CD1-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.34Å; L230-F232 PolarHBondContact O-N 2.85Å; F232-T234 PolarHBondContact O-N 2.69Å
233E74.4Confident74.3Confident74 Ų7486.5 Ų86.535%0.34641%0.41SS..EExtended strand (participates in β ladder)trans-69.6126.8171.5-162179.9177.100108.3I149 P235 R239I149-E233 PolarHBondContact O-N 3.15Å; E233-P235 WeakPolarHBondContact O-CD 3.31Å; E233-R239 IonicContact OE1-NH2 2.74Å; E233-R239 PolarHBondContact OE1-NH2 3.37Å
234T68.8Low74.1Confident77 Ų7792.2 Ų92.247%0.47243%0.433SS..PPolyproline II helixtrans-66.512217845.60000109.5F232 R239F232-T234 PolarHBondContact O-N 2.69Å; T234-R239 PolarHBondContact O-NE 2.75Å; T234-R239 PolarHBondContact O-NH2 3.4Å; T234-R239 PolarHBondContact OG1-NE 2.93Å
235P68.7Low74Confident49 Ų4996.2 Ų96.232%0.31845%0.453SS..PPolyproline II helixtrans-62.1147.217919.8-26.2000109.9E233 I237 H238 R239E233-P235 WeakPolarHBondContact O-CD 3.31Å; P235-I237 PolarHBondContact O-N 3Å; P235-I237 VanDerWaalsContact O-N 3.14Å; P235-H238 HydrophobicContact CG-CB 4.09Å; P235-H238 WeakPolarHBondContact O-CA 3.41Å; P235-H238 WeakPolarHBondContact O-CB 3.37Å; P235-H238 PolarHBondContact O-N 3.19Å; P235-R239 PolarHBondContact O-N 3.02Å
236F69.9Low74Confident152 Ų152102.6 Ų102.667%0.66748%0.48SS*.Hα-helixtrans-53-39.7-175.9-179.9-112.5000112.6H238 R239 L240F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.9Å; F236-R239 WeakPolarHBondContact O-CB 3.35Å; F236-R239 PolarHBondContact O-N 2.85Å; F236-R239 VanDerWaalsContact O-N 3.11Å; F236-L240 HydrophobicContact CD1-CD1 3.5Å; F236-L240 VanDerWaalsContact CD1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD1 3.06Å; F236-L240 HydrophobicContact CE1-CG 4.44Å; F236-L240 HydrophobicContact CE2-CD1 4.25Å; F236-L240 HydrophobicContact CG-CD1 4.27Å; F236-L240 HydrophobicContact CZ-CD1 3.48Å; F236-L240 VanDerWaalsContact CZ-CD1 3.48Å; F236-L240 PolarHBondContact O-N 3.44Å
237I70.3Confident74.5Confident135 Ų135107 Ų10769%0.69250%0.496SS*.Hα-helixtrans-57.9-38.1174.7-70.9113.1000112.4P235 L240 K241P235-I237 PolarHBondContact O-N 3Å; P235-I237 VanDerWaalsContact O-N 3.14Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.15Å; I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 PolarHBondContact O-N 3.49Å
238H70.1Confident75.1Confident94 Ų94102.6 Ų102.644%0.43548%0.477SS..Hα-helixtrans-69.8-38.8176.5-112.2-57.9000112P235 F236 L240 K241 W242P235-H238 HydrophobicContact CG-CB 4.09Å; P235-H238 WeakPolarHBondContact O-CA 3.41Å; P235-H238 WeakPolarHBondContact O-CB 3.37Å; P235-H238 PolarHBondContact O-N 3.19Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.9Å; H238-L240 VanDerWaalsContact C-N 3.33Å; H238-K241 PolarHBondContact O-N 2.82Å; H238-W242 VanDerWaalsContact O-CD1 3.26Å; H238-W242 PolarHBondContact O-N 2.63Å
239R70.3Confident75.7Confident126 Ų126101.1 Ų101.148%0.47548%0.478SS..Hα-helixtrans-62.4-42.9172.6-60.8-172.3-164.716912110.8E233 T234 P235 F236 K241 W242 A243E233-R239 IonicContact OE1-NH2 2.74Å; E233-R239 PolarHBondContact OE1-NH2 3.37Å; T234-R239 PolarHBondContact O-NE 2.75Å; T234-R239 PolarHBondContact O-NH2 3.4Å; T234-R239 PolarHBondContact OG1-NE 2.93Å; P235-R239 PolarHBondContact O-N 3.02Å; F236-R239 WeakPolarHBondContact O-CB 3.35Å; F236-R239 PolarHBondContact O-N 2.85Å; F236-R239 VanDerWaalsContact O-N 3.11Å; R239-K241 PolarHBondContact O-N 2.84Å; R239-W242 PolarHBondContact O-N 2.79Å; R239-A243 WeakPolarHBondContact O-CB 3.47Å; R239-A243 PolarHBondContact O-N 2.88Å
240L70.7Confident76.5Confident66 Ų6696.2 Ų96.235%0.34646%0.457SS..Hα-helixtrans-57.6-46.6174.3-117.8133.4000112.1F236 I237 H238 W242 A243 Y247F236-L240 HydrophobicContact CD1-CD1 3.5Å; F236-L240 VanDerWaalsContact CD1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD1 3.06Å; F236-L240 HydrophobicContact CE1-CG 4.44Å; F236-L240 HydrophobicContact CE2-CD1 4.25Å; F236-L240 HydrophobicContact CG-CD1 4.27Å; F236-L240 HydrophobicContact CZ-CD1 3.48Å; F236-L240 VanDerWaalsContact CZ-CD1 3.48Å; F236-L240 PolarHBondContact O-N 3.44Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.15Å; H238-L240 VanDerWaalsContact C-N 3.33Å; L240-W242 PolarHBondContact O-N 2.79Å; L240-A243 PolarHBondContact O-N 2.82Å; L240-A243 VanDerWaalsContact O-N 3.09Å; L240-Y247 HydrophobicContact CD2-CE2 4.08Å; L240-Y247 WeakPolarHBondContact CD2-OH 3.2Å; L240-Y247 WeakPolarHBondContact CG-OH 3.44Å; L240-Y247 WeakPolarHBondContact O-CE2 3.42Å
241K77.8Confident77.2Confident147 Ų147102.5 Ų102.564%0.63948%0.479SS*.Hα-helixtrans-57.7-39.1179.5-172.2179178.8-179.50111.9I237 H238 R239I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 PolarHBondContact O-N 3.49Å; H238-K241 PolarHBondContact O-N 2.82Å; R239-K241 PolarHBondContact O-N 2.84Å
242W71.7Confident77.8Confident189 Ų189101.6 Ų101.672%0.71647%0.473SS*.Hα-helixtrans-84.1-17.5178.8-73.4111.9000114H238 R239 L240 Y244H238-W242 VanDerWaalsContact O-CD1 3.26Å; H238-W242 PolarHBondContact O-N 2.63Å; R239-W242 PolarHBondContact O-N 2.79Å; L240-W242 PolarHBondContact O-N 2.79Å; W242-Y244 PolarHBondContact O-N 2.77Å; W242-Y244 VanDerWaalsContact O-N 3.09Å
243A80.9Confident78.4Confident22 Ų22105.1 Ų105.118%0.18249%0.493CS..THydrogen-bonded Turntrans-74.21217400000113.9R239 L240 I245 F246 Y247R239-A243 WeakPolarHBondContact O-CB 3.47Å; R239-A243 PolarHBondContact O-N 2.88Å; L240-A243 PolarHBondContact O-N 2.82Å; L240-A243 VanDerWaalsContact O-N 3.09Å; A243-I245 PolarHBondContact O-N 2.68Å; A243-I245 VanDerWaalsContact O-N 3.15Å; A243-F246 HydrophobicContact CB-CD2 4.15Å; A243-F246 WeakPolarHBondContact O-CA 3.28Å; A243-F246 WeakPolarHBondContact O-CB 3.26Å; A243-F246 PolarHBondContact O-N 2.8Å; A243-Y247 HydrophobicContact CB-CE2 4.22Å; A243-Y247 PolarHBondContact O-N 3.46Å; A243-Y247 VanDerWaalsContact O-N 3.16Å
244Y81.4Confident79.1Confident121 Ų121107.5 Ų107.548%0.47550%0.502SS..Hα-helixtrans-57.3-31.6-179.189-86.7000113.6W242 F246 Y247 I248W242-Y244 PolarHBondContact O-N 2.77Å; W242-Y244 VanDerWaalsContact O-N 3.09Å; Y244-F246 VanDerWaalsContact C-N 3.29Å; Y244-F246 PolarHBondContact O-N 2.87Å; Y244-Y247 PolarHBondContact O-N 3.05Å; Y244-Y247 VanDerWaalsContact O-N 3.14Å; Y244-I248 HydrophobicContact CD2-CD1 3.56Å; Y244-I248 HydrophobicContact CD2-CG1 4.37Å; Y244-I248 HydrophobicContact CE2-CD1 3.68Å; Y244-I248 WeakPolarHBondContact O-CG1 3.47Å; Y244-I248 PolarHBondContact O-N 2.97Å
245I81.5Confident80.1Confident110 Ų110108.5 Ų108.556%0.56450%0.498SS*.Hα-helixtrans-60.9-39.8173.4-77.8162.8000111.1A243 I248 G249A243-I245 PolarHBondContact O-N 2.68Å; A243-I245 VanDerWaalsContact O-N 3.15Å; I245-I248 PolarHBondContact O-N 3.26Å; I245-G249 PolarHBondContact O-N 2.8Å
246F83.1Confident80.8Confident152 Ų152116.2 Ų116.267%0.66752%0.521SS*.Hα-helixtrans-68.2-37.6174.4-67.4-72.3000111.5A243 Y244 G249 I250A243-F246 HydrophobicContact CB-CD2 4.15Å; A243-F246 WeakPolarHBondContact O-CA 3.28Å; A243-F246 WeakPolarHBondContact O-CB 3.26Å; A243-F246 PolarHBondContact O-N 2.8Å; Y244-F246 VanDerWaalsContact C-N 3.29Å; Y244-F246 PolarHBondContact O-N 2.87Å; F246-G249 PolarHBondContact O-N 2.85Å; F246-I250 WeakPolarHBondContact O-CB 3.45Å; F246-I250 VanDerWaalsContact O-CG1 3.27Å; F246-I250 WeakPolarHBondContact O-CG1 3.1Å; F246-I250 PolarHBondContact O-N 2.92Å
247Y84.2Confident81.6Confident109 Ų109112 Ų11243%0.42751%0.509SS..Hα-helixtrans-63.4-41.9174.3-59.8-45.2000112.3L240 A243 Y244 I250 W251L240-Y247 HydrophobicContact CD2-CE2 4.08Å; L240-Y247 WeakPolarHBondContact CD2-OH 3.2Å; L240-Y247 WeakPolarHBondContact CG-OH 3.44Å; L240-Y247 WeakPolarHBondContact O-CE2 3.42Å; A243-Y247 HydrophobicContact CB-CE2 4.22Å; A243-Y247 PolarHBondContact O-N 3.46Å; A243-Y247 VanDerWaalsContact O-N 3.16Å; Y244-Y247 PolarHBondContact O-N 3.05Å; Y244-Y247 VanDerWaalsContact O-N 3.14Å; Y247-I250 PolarHBondContact O-N 2.79Å; Y247-W251 VanDerWaalsContact O-CB 3.27Å; Y247-W251 WeakPolarHBondContact O-CB 3.44Å; Y247-W251 PolarHBondContact O-N 2.85Å
248I85.3Confident82.3Confident85 Ų85110 Ų11044%0.43650%0.499SS..Hα-helixtrans-63.2-44.4174.1-67.8172.4000110.2Y244 I245 W251 I252Y244-I248 HydrophobicContact CD2-CD1 3.56Å; Y244-I248 HydrophobicContact CD2-CG1 4.37Å; Y244-I248 HydrophobicContact CE2-CD1 3.68Å; Y244-I248 WeakPolarHBondContact O-CG1 3.47Å; Y244-I248 PolarHBondContact O-N 2.97Å; I245-I248 PolarHBondContact O-N 3.26Å; I248-W251 WeakPolarHBondContact O-CB 3.45Å; I248-W251 PolarHBondContact O-N 2.75Å; I248-I252 HydrophobicContact CG2-CD1 3.89Å; I248-I252 HydrophobicContact CG2-CG1 4.46Å; I248-I252 WeakPolarHBondContact O-CG1 3.1Å; I248-I252 PolarHBondContact O-N 2.81Å
249G86.4Confident82.9Confident29 Ų29108.5 Ų108.530%0.29949%0.492SS..Hα-helixtrans-59.4-48.4177.200000112.6I245 F246 W251 I252 I253I245-G249 PolarHBondContact O-N 2.8Å; F246-G249 PolarHBondContact O-N 2.85Å; G249-W251 VanDerWaalsContact C-N 3.33Å; G249-W251 PolarHBondContact O-N 3.38Å; G249-I252 PolarHBondContact O-N 2.7Å; G249-I253 VanDerWaalsContact O-CG1 3.29Å; G249-I253 WeakPolarHBondContact O-CG1 3.34Å; G249-I253 PolarHBondContact O-N 2.97Å
250I88.1Confident83.6Confident88 Ų88110.5 Ų110.545%0.45150%0.5SS..Hα-helixtrans-60.2-44.4175-71169.1000110.4F246 Y247 I252 I253 F254F246-I250 WeakPolarHBondContact O-CB 3.45Å; F246-I250 VanDerWaalsContact O-CG1 3.27Å; F246-I250 WeakPolarHBondContact O-CG1 3.1Å; F246-I250 PolarHBondContact O-N 2.92Å; Y247-I250 PolarHBondContact O-N 2.79Å; I250-I252 PolarHBondContact O-N 2.94Å; I250-I253 PolarHBondContact O-N 2.88Å; I250-F254 HydrophobicContact CG2-CD2 3.63Å; I250-F254 HydrophobicContact CG2-CE2 3.8Å; I250-F254 VanDerWaalsContact O-CD2 3.3Å; I250-F254 WeakPolarHBondContact O-CD2 3.44Å; I250-F254 PolarHBondContact O-N 3.36Å
251W88.3Confident84.3Confident162 Ų162112.2 Ų112.261%0.61451%0.509SS*.Hα-helixtrans-59.2-45.2178.3-175.282.5000111.7Y247 I248 G249 I253 F254 Y255Y247-W251 VanDerWaalsContact O-CB 3.27Å; Y247-W251 WeakPolarHBondContact O-CB 3.44Å; Y247-W251 PolarHBondContact O-N 2.85Å; I248-W251 WeakPolarHBondContact O-CB 3.45Å; I248-W251 PolarHBondContact O-N 2.75Å; G249-W251 VanDerWaalsContact C-N 3.33Å; G249-W251 PolarHBondContact O-N 3.38Å; W251-I253 PolarHBondContact O-N 2.74Å; W251-F254 PolarHBondContact O-N 3.4Å; W251-Y255 AromaticContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CE2 4.01Å; W251-Y255 HydrophobicContact CH2-CG 4.32Å; W251-Y255 AromaticContact CZ2-CD2 3.6Å; W251-Y255 HydrophobicContact CZ2-CD2 3.6Å; W251-Y255 AromaticContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CG 4.4Å; W251-Y255 HydrophobicContact CZ3-CD2 4.5Å; W251-Y255 WeakPolarHBondContact O-CB 3.33Å; W251-Y255 PolarHBondContact O-N 2.96Å
252I86.5Confident84.5Confident101 Ų101110.1 Ų110.152%0.51850%0.501SS..Hα-helixtrans-61.6-45176.4-67.4166.9000111.2I248 G249 I250 F254 Y255I248-I252 HydrophobicContact CG2-CD1 3.89Å; I248-I252 HydrophobicContact CG2-CG1 4.46Å; I248-I252 WeakPolarHBondContact O-CG1 3.1Å; I248-I252 PolarHBondContact O-N 2.81Å; G249-I252 PolarHBondContact O-N 2.7Å; I250-I252 PolarHBondContact O-N 2.94Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 3.06Å; I252-Y255 PolarHBondContact O-N 2.7Å
253I88.6Confident84.9Confident120 Ų120108.4 Ų108.462%0.61549%0.494SS*.Hα-helixtrans-61.4-40.5-179.7-68.9165.6000111.2G249 I250 W251 P257G249-I253 VanDerWaalsContact O-CG1 3.29Å; G249-I253 WeakPolarHBondContact O-CG1 3.34Å; G249-I253 PolarHBondContact O-N 2.97Å; I250-I253 PolarHBondContact O-N 2.88Å; W251-I253 PolarHBondContact O-N 2.74Å; I253-P257 WeakPolarHBondContact O-CD 3.12Å; I253-P257 VanDerWaalsContact O-CG 3.29Å; I253-P257 WeakPolarHBondContact O-CG 3.27Å
254F88.6Confident84.8Confident124 Ų124112 Ų11254%0.54450%0.504SS..Hα-helixtrans-84.6-24.9179.4-77.9-71.9000114I250 W251 I252 W256 P257 I258I250-F254 HydrophobicContact CG2-CD2 3.63Å; I250-F254 HydrophobicContact CG2-CE2 3.8Å; I250-F254 VanDerWaalsContact O-CD2 3.3Å; I250-F254 WeakPolarHBondContact O-CD2 3.44Å; I250-F254 PolarHBondContact O-N 3.36Å; W251-F254 PolarHBondContact O-N 3.4Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 3.06Å; F254-W256 VanDerWaalsContact C-N 3.32Å; F254-W256 PolarHBondContact O-N 3.36Å; F254-P257 VanDerWaalsContact O-CD 3.27Å; F254-P257 WeakPolarHBondContact O-CD 3.32Å; F254-P257 WeakPolarHBondContact O-CG 3.32Å; F254-I258 HydrophobicContact CB-CD1 4.2Å; F254-I258 WeakPolarHBondContact O-CB 3.07Å; F254-I258 WeakPolarHBondContact O-CD1 3.11Å; F254-I258 WeakPolarHBondContact O-CG1 3.18Å; F254-I258 PolarHBondContact O-N 2.68Å
255Y89.6Confident84.5Confident98 Ų98108.1 Ų108.138%0.38449%0.492SS..Hα-helixtrans-60.3-43.2-178.6-177.3-97.6000111.9W251 I252 Q259W251-Y255 AromaticContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CE2 4.01Å; W251-Y255 HydrophobicContact CH2-CG 4.32Å; W251-Y255 AromaticContact CZ2-CD2 3.6Å; W251-Y255 HydrophobicContact CZ2-CD2 3.6Å; W251-Y255 AromaticContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CG 4.4Å; W251-Y255 HydrophobicContact CZ3-CD2 4.5Å; W251-Y255 WeakPolarHBondContact O-CB 3.33Å; W251-Y255 PolarHBondContact O-N 2.96Å; I252-Y255 PolarHBondContact O-N 2.7Å; Y255-Q259 HydrophobicContact CD1-CG 4.37Å; Y255-Q259 HydrophobicContact CE1-CG 3.94Å; Y255-Q259 HydrophobicContact CE2-CG 4.4Å; Y255-Q259 WeakPolarHBondContact O-CB 3.36Å; Y255-Q259 PolarHBondContact O-N 3.5Å; Y255-Q259 PolarHBondContact OH-NE2 3.41Å
256W82.9Confident83.9Confident210 Ų210110.3 Ų110.380%0.79550%0.498SS*.Hα-helixtrans-64.4-52.9179.2-113.925.4000114.8F254 I258 Q259 W260F254-W256 VanDerWaalsContact C-N 3.32Å; F254-W256 PolarHBondContact O-N 3.36Å; W256-I258 VanDerWaalsContact C-N 3.31Å; W256-I258 PolarHBondContact O-N 2.71Å; W256-Q259 PolarHBondContact O-N 2.79Å; W256-W260 WeakPolarHBondContact O-CB 3.33Å; W256-W260 PolarHBondContact O-N 3.34Å
257P86.9Confident83Confident64 Ų64110.3 Ų110.342%0.41650%0.5SS..Hα-helixtrans-64.9-34.1177.222.5-31.3000112I253 F254 W260 L261I253-P257 WeakPolarHBondContact O-CD 3.12Å; I253-P257 VanDerWaalsContact O-CG 3.29Å; I253-P257 WeakPolarHBondContact O-CG 3.27Å; F254-P257 VanDerWaalsContact O-CD 3.27Å; F254-P257 WeakPolarHBondContact O-CD 3.32Å; F254-P257 WeakPolarHBondContact O-CG 3.32Å; P257-W260 PolarHBondContact O-N 2.85Å; P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 PolarHBondContact O-N 2.79Å
258I86.2Confident81.7Confident92 Ų92111.6 Ų111.647%0.47251%0.508SS..Hα-helixtrans-66.4-46.1175.1-68.3168.4000110.9F254 W256 W260 L261 Q262F254-I258 HydrophobicContact CB-CD1 4.2Å; F254-I258 WeakPolarHBondContact O-CB 3.07Å; F254-I258 WeakPolarHBondContact O-CD1 3.11Å; F254-I258 WeakPolarHBondContact O-CG1 3.18Å; F254-I258 PolarHBondContact O-N 2.68Å; W256-I258 VanDerWaalsContact C-N 3.31Å; W256-I258 PolarHBondContact O-N 2.71Å; I258-W260 VanDerWaalsContact C-N 3.31Å; I258-W260 PolarHBondContact O-N 2.87Å; I258-L261 PolarHBondContact O-N 3.29Å; I258-Q262 HydrophobicContact CG2-CG 4.48Å; I258-Q262 WeakPolarHBondContact O-CB 3.39Å; I258-Q262 WeakPolarHBondContact O-CG 3.32Å; I258-Q262 PolarHBondContact O-N 2.82Å
259Q82.9Confident80.3Confident63 Ų63115.6 Ų115.629%0.29452%0.517SS..Hα-helixtrans-62.2-40.5175.1-85.9-145.8-28.800112.1Y255 W256 Q262 R263Y255-Q259 HydrophobicContact CD1-CG 4.37Å; Y255-Q259 HydrophobicContact CE1-CG 3.94Å; Y255-Q259 HydrophobicContact CE2-CG 4.4Å; Y255-Q259 WeakPolarHBondContact O-CB 3.36Å; Y255-Q259 PolarHBondContact O-N 3.5Å; Y255-Q259 PolarHBondContact OH-NE2 3.41Å; W256-Q259 PolarHBondContact O-N 2.79Å; Q259-Q262 PolarHBondContact O-N 3.18Å; Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 PolarHBondContact O-N 2.78Å
260W84.4Confident78.6Confident168 Ų168120 Ų12064%0.63653%0.53SS*.Hα-helixtrans-62.7-44.2175.818080.8000111.3W256 P257 I258 R263 W264W256-W260 WeakPolarHBondContact O-CB 3.33Å; W256-W260 PolarHBondContact O-N 3.34Å; P257-W260 PolarHBondContact O-N 2.85Å; I258-W260 VanDerWaalsContact C-N 3.31Å; I258-W260 PolarHBondContact O-N 2.87Å; W260-R263 PolarHBondContact O-N 3.22Å; W260-W264 VanDerWaalsContact O-CB 3.3Å; W260-W264 WeakPolarHBondContact O-CB 3.14Å; W260-W264 PolarHBondContact O-N 3.42Å
261L84.6Confident76.8Confident102 Ų102122.4 Ų122.453%0.53454%0.543SS..Hα-helixtrans-64.7-43176.9-158.6107.6000111.4P257 I258 W264 V265P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 PolarHBondContact O-N 2.79Å; I258-L261 PolarHBondContact O-N 3.29Å; L261-W264 PolarHBondContact O-N 3.44Å; L261-V265 WeakPolarHBondContact O-CB 3.46Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.02Å
262Q82.8Confident74.8Confident104 Ų104119.9 Ų119.949%0.48654%0.54SS..Hα-helixtrans-60.3-49.9174.4-78.5-177.7-18.300111I258 Q259 W264 V265 F266I258-Q262 HydrophobicContact CG2-CG 4.48Å; I258-Q262 WeakPolarHBondContact O-CB 3.39Å; I258-Q262 WeakPolarHBondContact O-CG 3.32Å; I258-Q262 PolarHBondContact O-N 2.82Å; Q259-Q262 PolarHBondContact O-N 3.18Å; Q262-W264 VanDerWaalsContact C-N 3.3Å; Q262-W264 PolarHBondContact O-N 2.83Å; Q262-V265 PolarHBondContact O-N 3.5Å; Q262-F266 HydrophobicContact CB-CD2 4.36Å; Q262-F266 WeakPolarHBondContact O-CB 3.38Å; Q262-F266 WeakPolarHBondContact O-CD2 3.46Å; Q262-F266 PolarHBondContact O-N 3.25Å
263R79Confident73Confident152 Ų152121.2 Ų121.257%0.57455%0.546SS*.Hα-helixtrans-58.3-44.2175.1-78.9-175-176.71681.8111.4Q259 W260 V265 F266 E267Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 PolarHBondContact O-N 2.78Å; W260-R263 PolarHBondContact O-N 3.22Å; R263-V265 PolarHBondContact O-N 3.49Å; R263-F266 PolarHBondContact O-N 3.19Å; R263-E267 WeakPolarHBondContact O-CA 3.26Å; R263-E267 WeakPolarHBondContact O-CB 3.37Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 3.07Å
264W79.2Confident70.9Confident99 Ų99124.8 Ų124.838%0.37555%0.554SS.*Hα-helixtrans-61.1-44.8178.8-169.290.6000112.3W260 L261 Q262 K268W260-W264 VanDerWaalsContact O-CB 3.3Å; W260-W264 WeakPolarHBondContact O-CB 3.14Å; W260-W264 PolarHBondContact O-N 3.42Å; L261-W264 PolarHBondContact O-N 3.44Å; Q262-W264 VanDerWaalsContact C-N 3.3Å; Q262-W264 PolarHBondContact O-N 2.83Å; W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.48Å; W264-K268 PolarHBondContact O-N 2.89Å
265V75.1Confident68.7Low38 Ų38125.2 Ų125.223%0.2356%0.561CS.*Hα-helixtrans-68.3-43.8178.9171.30000111.8L261 Q262 R263 L271L261-V265 WeakPolarHBondContact O-CB 3.46Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.02Å; Q262-V265 PolarHBondContact O-N 3.5Å; R263-V265 PolarHBondContact O-N 3.49Å; V265-L271 HydrophobicContact CG1-CD1 3.66Å; V265-L271 HydrophobicContact CG1-CG 4.5Å
266F68.8Low66.2Low157 Ų157127.9 Ų127.969%0.68958%0.582SS**Hα-helixtrans-83.5-36.5-174.8-74.5-72000113.7Q262 R263Q262-F266 HydrophobicContact CB-CD2 4.36Å; Q262-F266 WeakPolarHBondContact O-CB 3.38Å; Q262-F266 WeakPolarHBondContact O-CD2 3.46Å; Q262-F266 PolarHBondContact O-N 3.25Å; R263-F266 PolarHBondContact O-N 3.19Å
267E64.5Low64Low152 Ų152124.5 Ų124.571%0.7158%0.579SS**Hα-helixtrans-78-33176.7-69.8-179.7147.400112.5R263 R269R263-E267 WeakPolarHBondContact O-CA 3.26Å; R263-E267 WeakPolarHBondContact O-CB 3.37Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 3.07Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.75Å
268K57.7Low61.8Low136 Ų136126 Ų12659%0.59159%0.587SS**THydrogen-bonded Turntrans-848.8177.2-68.8-157.9170.8-168.90115W264 Q270W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.48Å; W264-K268 PolarHBondContact O-N 2.89Å; K268-Q270 PolarHBondContact O-N 2.79Å
269R54.8Low59.3Low169 Ų169130.4 Ų130.464%0.63861%0.606SS**THydrogen-bonded Turntrans49.128.3174-86.1-166.9176.9-156.8-0.6114.9E267 L271 M272E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.75Å; R269-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact O-N 3.14Å; R269-M272 HydrophobicContact CB-CB 4.2Å; R269-M272 HydrophobicContact CG-CB 4.07Å; R269-M272 HydrophobicContact CG-SD 4.24Å; R269-M272 PolarHBondContact O-N 3.19Å
270Q51.9Low57.1Low122 Ų122136.1 Ų136.157%0.5763%0.63SS**THydrogen-bonded Turntrans-68-16.4-180-75.1-143.5-29.200113.2K268K268-Q270 PolarHBondContact O-N 2.79Å
271L49.6Very low54.8Low137 Ų137136.8 Ų136.872%0.71764%0.637SS**THydrogen-bonded Turntrans-97.5-4.8173.3-71.8163.6000114.1V265 R269V265-L271 HydrophobicContact CG1-CD1 3.66Å; V265-L271 HydrophobicContact CG1-CG 4.5Å; R269-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact O-N 3.14Å
272M46.8Very low52.9Low110 Ų110140.3 Ų140.354%0.54265%0.651SS.*  trans-99.626174.3-89.2-169.3-177.200112.6R269 Y274R269-M272 HydrophobicContact CB-CB 4.2Å; R269-M272 HydrophobicContact CG-CB 4.07Å; R269-M272 HydrophobicContact CG-SD 4.24Å; R269-M272 PolarHBondContact O-N 3.19Å; M272-Y274 PolarHBondContact O-N 3.38Å
273I49Very low51Low129 Ų129138.7 Ų138.766%0.66265%0.649SS**THydrogen-bonded Turntrans-94.635.2169.4-51.1173.5000109.6
274Y44Very low49.2Very low195 Ų195135.4 Ų135.477%0.76565%0.647SS**THydrogen-bonded Turntrans-133.124168.4-130.9-85.9000112.9M272M272-Y274 PolarHBondContact O-N 3.38Å
275D42.6Very low47.9Very low132 Ų132134.3 Ų134.371%0.70666%0.66SS**SBendtrans-107.910167.8-85.9-19.3000112.7
276N36Very low46.9Very low154 Ų154139.4 Ų139.482%0.82468%0.681SS**SBendtrans-9316.4175.1-86.4-2.8000114.2
277L37.6Very low46.1Very low139 Ų139135.8 Ų135.873%0.72867%0.671SS**SBendtrans-130.996.7171.3-75.9166.7000109.4
278V39.7Very low45.2Very low97 Ų97136 Ų13659%0.58867%0.667SS**  trans131.185.1154.7-175.60000108.9F280V278-F280 HydrophobicContact CB-CD2 4.31Å; V278-F280 HydrophobicContact CB-CE2 4.28Å; V278-F280 HydrophobicContact CG1-CD1 4.3Å; V278-F280 HydrophobicContact CG1-CD2 3.45Å; V278-F280 VanDerWaalsContact CG1-CD2 3.45Å; V278-F280 HydrophobicContact CG1-CE1 4.38Å; V278-F280 HydrophobicContact CG1-CE2 3.55Å; V278-F280 HydrophobicContact CG1-CG 3.85Å; V278-F280 HydrophobicContact CG1-CZ 4.03Å; V278-F280 PolarHBondContact O-N 2.7Å
279E33.6Very low44.8Very low184 Ų184136 Ų13686%0.8667%0.672SS**  trans-54.797.7144.1-81.5-175.6158.800106.6K281E279-K281 PolarHBondContact O-N 3.29Å
280F38.2Very low44.5Very low182 Ų182133.8 Ų133.880%0.79867%0.673SS**  trans-65.587.6157.3-84.6-82.5000105.9V278 Q282V278-F280 HydrophobicContact CB-CD2 4.31Å; V278-F280 HydrophobicContact CB-CE2 4.28Å; V278-F280 HydrophobicContact CG1-CD1 4.3Å; V278-F280 HydrophobicContact CG1-CD2 3.45Å; V278-F280 VanDerWaalsContact CG1-CD2 3.45Å; V278-F280 HydrophobicContact CG1-CE1 4.38Å; V278-F280 HydrophobicContact CG1-CE2 3.55Å; V278-F280 HydrophobicContact CG1-CG 3.85Å; V278-F280 HydrophobicContact CG1-CZ 4.03Å; V278-F280 PolarHBondContact O-N 2.7Å; F280-Q282 VanDerWaalsContact C-N 3.28Å; F280-Q282 PolarHBondContact O-N 3.24Å
281K35Very low44.4Very low183 Ų183134.7 Ų134.780%0.79668%0.677SS**  trans-52.3103.3154.3-113.2179.7179.41750105.4E279 P283E279-K281 PolarHBondContact O-N 3.29Å; K281-P283 VanDerWaalsContact O-CD 3.25Å; K281-P283 WeakPolarHBondContact O-CD 3.25Å
282Q44.7Very low44.3Very low176 Ų176134.4 Ų134.482%0.82268%0.676SS**PPolyproline II helixtrans-52.1117.3163.8-80.5-177-2100106.2F280F280-Q282 VanDerWaalsContact C-N 3.28Å; F280-Q282 PolarHBondContact O-N 3.24Å
283P43.4Very low44.3Very low69 Ų69137.1 Ų137.145%0.44869%0.685SS.*PPolyproline II helixtrans-62.2137.2170.826.8-31.8000106.9K281 A285 Y288K281-P283 VanDerWaalsContact O-CD 3.25Å; K281-P283 WeakPolarHBondContact O-CD 3.25Å; P283-A285 PolarHBondContact O-N 2.82Å; P283-Y288 HydrophobicContact CG-CE2 3.93Å
284P41.3Very low44.3Very low83 Ų83137.9 Ų137.954%0.53969%0.69SS.*PPolyproline II helixtrans-56.8139.8178.323.7-32.3000109.3H286 V287P284-H286 PolarHBondContact O-N 3.07Å; P284-V287 PolarHBondContact O-N 2.95Å
285A52.3Low44.2Very low77 Ų77136.6 Ų136.664%0.63669%0.691SS**THydrogen-bonded Turntrans-58.98.5-17100000116P283P283-A285 PolarHBondContact O-N 2.82Å
286H53.7Low44.3Very low144 Ų144144.5 Ų144.567%0.66771%0.711SS**THydrogen-bonded Turntrans-98.8-7.2-175.3-36-48.4000113.1P284P284-H286 PolarHBondContact O-N 3.07Å
287V52.8Low44.7Very low81 Ų81144.1 Ų144.149%0.49171%0.706SS.*SBendtrans-89.6-24.7-178.3-176.80000112.7P284 L289P284-V287 PolarHBondContact O-N 2.95Å; V287-L289 PolarHBondContact O-N 2.85Å
288Y45Very low45Very low158 Ų158144.3 Ų144.362%0.6271%0.705SS**Hα-helixtrans-81.2-12.1-178.1-73.3-75.7000115.2P283P283-Y288 HydrophobicContact CG-CE2 3.93Å
289L48.8Very low45.3Very low135 Ų135146.9 Ų146.971%0.70771%0.711SS**Hα-helixtrans-88.6-15.6178-93.3158.8000114.2V287V287-L289 PolarHBondContact O-N 2.85Å
290N48.7Very low46Very low122 Ų122144.8 Ų144.865%0.65270%0.702SS**Hα-helixtrans-98.6-10.7-179-79.6-11.4000114.5
291Q49.6Very low46.5Very low141 Ų141142.4 Ų142.466%0.65970%0.696SS**Hα-helixtrans-91.5-24.3174-79.9-175.4-37.600113.6K293Q291-K293 VanDerWaalsContact C-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.12Å
292L47.1Very low47.3Very low132 Ų132139.7 Ų139.769%0.69169%0.69SS**THydrogen-bonded Turntrans-82.1-3.5175.1-83160000114.3
293K47.8Very low47.5Very low166 Ų166137.1 Ų137.172%0.72268%0.68SS**THydrogen-bonded Turntrans-100.50.2179.8-144.5179.2-177.1-178.10114.2Q291Q291-K293 VanDerWaalsContact C-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.12Å
294N47.8Very low47.8Very low145 Ų145142.4 Ų142.478%0.77570%0.698SS**SBendtrans-118.310.5179-77-7.5000113.4
295E42.3Very low48.3Very low169 Ų169147.3 Ų147.379%0.7971%0.712SS**  trans-121.117.2173.3-72.8-168.2159.100113.5
296W44.2Very low48Very low298 Ų298153.7 Ų153.7100%1.12972%0.718SS**  trans-135.50170.1-76.165.6000110.7

Retrieved 296 of 296 residues in 511.3 ms (Link to these results)