A0A096M3Q1_POEFO Loading...

Immunoglobulin V-set domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M3Q1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.8Low83.6Confident192 Ų192113.6 Ų113.695%0.94661%0.614SS**  0-62.80-59-56.4-84.800111.8T4 V5M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact O-OG1 2.78Å; M1-V5 VanDerWaalsContact O-CG2 3.26Å; M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.13Å
2A79.2Confident83.8Confident85 Ų85112.7 Ų112.770%0.70261%0.608SS**Hα-helixtrans-65.9-43.7-179.400000113.9T4 V5 A6A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.38Å; A2-V5 PolarHBondContact O-N 3.27Å; A2-A6 PolarHBondContact O-N 3.16Å
3L81.1Confident83.6Confident156 Ų156109.5 Ų109.582%0.81759%0.59SS**Hα-helixtrans-64-38.6-179.2-143.291.1000112.7F7L3-F7 WeakPolarHBondContact O-CB 3.45Å; L3-F7 PolarHBondContact O-N 2.82Å
4T82.3Confident83.2Confident79 Ų79109.3 Ų109.349%0.48559%0.587SS.*Hα-helixtrans-70.5-37.1179.346.30000111.8M1 A2 L8M1-T4 WeakPolarHBondContact CA-OG1 3.39Å; M1-T4 PolarHBondContact O-OG1 2.78Å; A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.38Å; T4-L8 VanDerWaalsContact O-CG 3.31Å; T4-L8 WeakPolarHBondContact O-CG 3.24Å; T4-L8 PolarHBondContact O-N 3.11Å
5V86.3Confident82.8Confident97 Ų97111.5 Ų111.559%0.58859%0.586SS**Hα-helixtrans-69-41.9175.51730000110.9M1 A2 F7 L8 F9M1-V5 VanDerWaalsContact O-CG2 3.26Å; M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.13Å; A2-V5 PolarHBondContact O-N 3.27Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.32Å; V5-L8 PolarHBondContact O-N 2.93Å; V5-F9 WeakPolarHBondContact O-CB 3.41Å; V5-F9 PolarHBondContact O-N 3.41Å
6A87.1Confident82Confident53 Ų53109.1 Ų109.144%0.43858%0.577SS.*Hα-helixtrans-62.3-40.8175.400000112.3A2 F9 H10A2-A6 PolarHBondContact O-N 3.16Å; A6-F9 PolarHBondContact O-N 2.96Å; A6-H10 PolarHBondContact O-N 2.84Å
7F87.4Confident80.8Confident138 Ų138109.2 Ų109.261%0.60558%0.577SS**Hα-helixtrans-64.9-45.2177.2-175.9-107000112.6L3 V5 F9 H10 L11L3-F7 WeakPolarHBondContact O-CB 3.45Å; L3-F7 PolarHBondContact O-N 2.82Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 3.32Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.27Å; F7-H10 PolarHBondContact O-N 3.04Å; F7-L11 HydrophobicContact CD1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CD1 3.22Å; F7-L11 HydrophobicContact CE1-CG 4.48Å; F7-L11 HydrophobicContact CE2-CD1 4.38Å; F7-L11 HydrophobicContact CG-CD1 4.44Å; F7-L11 HydrophobicContact CZ-CD1 3.62Å; F7-L11 PolarHBondContact O-N 3.08Å
8L89.6Confident79.4Confident115 Ų115111.6 Ų111.660%0.60258%0.584SS**Hα-helixtrans-64.8-36.5176.1-70.4173000112.1T4 V5 L11 L12T4-L8 VanDerWaalsContact O-CG 3.31Å; T4-L8 WeakPolarHBondContact O-CG 3.24Å; T4-L8 PolarHBondContact O-N 3.11Å; V5-L8 PolarHBondContact O-N 2.93Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.44Å
9F87.3Confident78Confident122 Ų122112.8 Ų112.854%0.53559%0.589SS.*Hα-helixtrans-64.7-42.7174.9-174.9-104000111.7V5 A6 F7 L12 L13V5-F9 WeakPolarHBondContact O-CB 3.41Å; V5-F9 PolarHBondContact O-N 3.41Å; A6-F9 PolarHBondContact O-N 2.96Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.27Å; F9-L12 PolarHBondContact O-N 3.05Å; F9-L13 HydrophobicContact CD1-CD1 4.01Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.71Å; F9-L13 WeakPolarHBondContact O-CB 3.42Å; F9-L13 PolarHBondContact O-N 3.5Å
10H84.6Confident76.4Confident123 Ų123114.9 Ų114.957%0.56960%0.595SS**Hα-helixtrans-66.4-37.9174.3-82.7-19.1000113.5A6 F7 L13 L14A6-H10 PolarHBondContact O-N 2.84Å; F7-H10 PolarHBondContact O-N 3.04Å; H10-L13 PolarHBondContact O-N 3.2Å; H10-L14 WeakPolarHBondContact O-CB 3.17Å; H10-L14 PolarHBondContact O-N 3.41Å
11L85.1Confident75Confident90 Ų90112.9 Ų112.947%0.47160%0.603SS.*Hα-helixtrans-62-43.4172.3-98.5153.5000111.8F7 L8 L13 L14 Y15F7-L11 HydrophobicContact CD1-CD1 3.68Å; F7-L11 HydrophobicContact CE1-CD1 3.22Å; F7-L11 HydrophobicContact CE1-CG 4.48Å; F7-L11 HydrophobicContact CE2-CD1 4.38Å; F7-L11 HydrophobicContact CG-CD1 4.44Å; F7-L11 HydrophobicContact CZ-CD1 3.62Å; F7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 2.81Å; L11-Y15 VanDerWaalsContact O-CB 3.29Å; L11-Y15 WeakPolarHBondContact O-CB 3.47Å; L11-Y15 PolarHBondContact O-N 2.81Å
12L85.9Confident74Confident102 Ų102108.7 Ų108.753%0.53459%0.592SS.*Hα-helixtrans-64-41.1175-174.566.8000111.2L8 F9 Y15 T16L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.44Å; F9-L12 PolarHBondContact O-N 3.05Å; L12-Y15 PolarHBondContact O-N 2.76Å; L12-T16 WeakPolarHBondContact O-CG2 3.4Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 2.81Å
13L81.8Confident73Confident72 Ų72107.5 Ų107.538%0.37758%0.579SS.*Hα-helixtrans-64.8-44.7177.6-130.1140.9000111.5F9 H10 L11 Y15 T16 L17F9-L13 HydrophobicContact CD1-CD1 4.01Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.71Å; F9-L13 WeakPolarHBondContact O-CB 3.42Å; F9-L13 PolarHBondContact O-N 3.5Å; H10-L13 PolarHBondContact O-N 3.2Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 2.95Å; L13-T16 WeakPolarHBondContact CA-OG1 2.91Å; L13-T16 PolarHBondContact O-N 2.88Å; L13-T16 PolarHBondContact O-OG1 2.94Å; L13-L17 HydrophobicContact CD2-CD1 3.98Å; L13-L17 WeakPolarHBondContact O-CB 3.21Å; L13-L17 WeakPolarHBondContact O-CD1 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.87Å
14L77.4Confident72.5Confident106 Ų106103.7 Ų103.756%0.55557%0.57SS**Hα-helixtrans-59.7-43172.3-108.8103000111.5H10 L11 L17 Q18H10-L14 WeakPolarHBondContact O-CB 3.17Å; H10-L14 PolarHBondContact O-N 3.41Å; L11-L14 PolarHBondContact O-N 2.81Å; L14-L17 PolarHBondContact O-N 2.79Å; L14-Q18 WeakPolarHBondContact O-CG 3.32Å; L14-Q18 PolarHBondContact O-N 3.43Å
15Y77.6Confident72.8Confident143 Ų143103 Ų10356%0.56157%0.565SS**Hα-helixtrans-64.3-42.4178-174.3-102.5000111.7L11 L12 L13 L17 Q18 M19L11-Y15 VanDerWaalsContact O-CB 3.29Å; L11-Y15 WeakPolarHBondContact O-CB 3.47Å; L11-Y15 PolarHBondContact O-N 2.81Å; L12-Y15 PolarHBondContact O-N 2.76Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 2.95Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 3.06Å; Y15-Q18 PolarHBondContact O-N 3.12Å; Y15-M19 HydrophobicContact CD1-CG 4.48Å; Y15-M19 HydrophobicContact CE1-CG 4.15Å; Y15-M19 WeakPolarHBondContact O-CG 3.45Å; Y15-M19 PolarHBondContact O-N 3.03Å; Y15-M19 VanDerWaalsContact O-N 3.09Å
16T70.3Confident73.1Confident73 Ų73101.3 Ų101.345%0.44856%0.556SS.*Hα-helixtrans-65.9-35.4174.954.70000112.6L12 L13 Q18 M19 Q20L12-T16 WeakPolarHBondContact O-CG2 3.4Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 2.81Å; L13-T16 WeakPolarHBondContact CA-OG1 2.91Å; L13-T16 PolarHBondContact O-N 2.88Å; L13-T16 PolarHBondContact O-OG1 2.94Å; T16-Q18 VanDerWaalsContact C-N 3.34Å; T16-M19 PolarHBondContact O-N 3.26Å; T16-Q20 PolarHBondContact O-N 2.82Å
17L61.7Low73.4Confident110 Ų110103.5 Ų103.558%0.57656%0.56SS**Hα-helixtrans-68.1-32.4175.1-76.3162.3000112.1L13 L14 Y15L13-L17 HydrophobicContact CD2-CD1 3.98Å; L13-L17 WeakPolarHBondContact O-CB 3.21Å; L13-L17 WeakPolarHBondContact O-CD1 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.87Å; L14-L17 PolarHBondContact O-N 2.79Å; Y15-L17 VanDerWaalsContact C-N 3.34Å; Y15-L17 PolarHBondContact O-N 3.06Å
18Q55.3Low73.8Confident152 Ų15298.4 Ų98.471%0.7154%0.54SS*.Hα-helixtrans-76.2-28.3175.8-73.5-174.1-24.200113.3L14 Y15 T16 Q20L14-Q18 WeakPolarHBondContact O-CG 3.32Å; L14-Q18 PolarHBondContact O-N 3.43Å; Y15-Q18 PolarHBondContact O-N 3.12Å; T16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å
19M52.1Low74.2Confident136 Ų13696.5 Ų96.567%0.6753%0.527SS*.Hα-helixtrans-79.5-13.5176.6-70.2-71.2-78.500113.2Y15 T16 G21Y15-M19 HydrophobicContact CD1-CG 4.48Å; Y15-M19 HydrophobicContact CE1-CG 4.15Å; Y15-M19 WeakPolarHBondContact O-CG 3.45Å; Y15-M19 PolarHBondContact O-N 3.03Å; Y15-M19 VanDerWaalsContact O-N 3.09Å; T16-M19 PolarHBondContact O-N 3.26Å; M19-G21 PolarHBondContact O-N 3.48Å
20Q47.1Very low74.6Confident153 Ų15391.3 Ų91.372%0.71551%0.505SS*.  trans-84.473.1173.1-154.3152.317.900109T16 Q18 S22T16-Q20 PolarHBondContact O-N 2.82Å; Q18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-S22 PolarHBondContact O-N 2.96Å
21G46.1Very low75.2Confident73 Ų7389.4 Ų89.475%0.75350%0.495SS*.  trans-61.186168.500000109.6M19 S23M19-G21 PolarHBondContact O-N 3.48Å; G21-S23 VanDerWaalsContact C-N 3.34Å; G21-S23 PolarHBondContact O-N 3.17Å
22S48.9Very low75.8Confident104 Ų10486.7 Ų86.773%0.72748%0.483SS*.  trans-69.497.3166.5-172.40000106.3Q20 A24Q20-S22 PolarHBondContact O-N 2.96Å; S22-A24 PolarHBondContact O-N 2.82Å
23S58.5Low76.4Confident60 Ų6083.3 Ų83.342%0.4247%0.472SS..  trans-61.494.7162.6-90.30000106.5G21 V25G21-S23 VanDerWaalsContact C-N 3.34Å; G21-S23 PolarHBondContact O-N 3.17Å; S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 VanDerWaalsContact O-N 3.14Å
24A71.1Confident77.1Confident76 Ų7683.7 Ų83.763%0.62848%0.475SS*.  trans-58.9120.117900000108.2S22 T26S22-A24 PolarHBondContact O-N 2.82Å; A24-T26 PolarHBondContact O-N 2.83Å
25V87.4Confident78.1Confident64 Ų6482.4 Ų82.439%0.38847%0.469SS..  trans-65.4125.4176.4-173.80000108S23 Q115 N117S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 VanDerWaalsContact O-N 3.14Å; V25-Q115 HydrophobicContact CG1-CB 4.42Å; V25-Q115 HydrophobicContact CG1-CG 4.09Å; V25-Q115 HydrophobicContact CG2-CB 4.38Å; V25-Q115 HydrophobicContact CG2-CG 4.33Å; V25-N117 HydrophobicContact CG1-CB 3.61Å
26T92.3Very high79Confident63 Ų6376.6 Ų76.639%0.38745%0.447SS..EExtended strand (participates in β ladder)trans-90.2112.9180-58.90000109.7A24 V28 Q115 Y116 N117A24-T26 PolarHBondContact O-N 2.83Å; T26-V28 HydrophobicContact CG2-CG2 4.14Å; T26-Q115 PolarHBondContact N-O 2.84Å; T26-Y116 HydrophobicContact CG2-CD1 4.05Å; T26-Y116 HydrophobicContact CG2-CE1 4.04Å; T26-Y116 CarbonylContact O-C 3.48Å; T26-Y116 VanDerWaalsContact O-CA 3.28Å; T26-Y116 WeakPolarHBondContact O-CA 3.42Å; T26-N117 PolarHBondContact O-N 2.85Å
27D94.6Very high80.2Confident98 Ų9876.1 Ų76.152%0.52444%0.441SS..EExtended strand (participates in β ladder)trans-73.4129.2174.2-67.8-47.1000110.9F29 N117D27-F29 HydrophobicContact CB-CE2 4.4Å; D27-N117 WeakPolarHBondContact CA-O 3.48Å; D27-N117 WeakPolarHBondContact OD1-CB 3.3Å; D27-N117 PolarHBondContact OD1-ND2 3.22Å
28V96Very high81.8Confident31 Ų3170.9 Ų70.919%0.18841%0.414CS..EExtended strand (participates in β ladder)trans-132.2128.8178.6179.90000110.2T26 V30 L36 Y116 N117 V118 T119T26-V28 HydrophobicContact CG2-CG2 4.14Å; V28-V30 HydrophobicContact CG1-CG2 3.99Å; V28-L36 HydrophobicContact CG1-CD1 3.72Å; V28-L36 HydrophobicContact CG1-CD2 4.27Å; V28-Y116 HydrophobicContact CG2-CD1 3.64Å; V28-Y116 HydrophobicContact CG2-CE1 4.22Å; V28-N117 PolarHBondContact N-O 3.37Å; V28-V118 CarbonylContact O-C 3.59Å; V28-V118 WeakPolarHBondContact O-CA 3.37Å; V28-T119 PolarHBondContact O-N 2.91Å
29F96.5Very high83.5Confident76 Ų7667.5 Ų67.533%0.33340%0.4SS..EExtended strand (participates in β ladder)trans-106.2128.5177.3-59.8-85.3000110D27 T119 Q198 V199D27-F29 HydrophobicContact CB-CE2 4.4Å; F29-T119 WeakPolarHBondContact CA-O 3.45Å; F29-T119 HydrophobicContact CD1-CG2 4.05Å; F29-T119 HydrophobicContact CE1-CG2 4.12Å; F29-Q198 HydrophobicContact CB-CB 3.57Å; F29-Q198 HydrophobicContact CB-CG 4.48Å; F29-Q198 HydrophobicContact CD1-CB 3.62Å; F29-Q198 HydrophobicContact CD1-CG 3.66Å; F29-Q198 HydrophobicContact CD2-CB 3.74Å; F29-Q198 HydrophobicContact CD2-CG 3.85Å; F29-Q198 HydrophobicContact CE1-CB 4.25Å; F29-Q198 HydrophobicContact CE1-CG 3.75Å; F29-Q198 HydrophobicContact CE2-CB 4.35Å; F29-Q198 HydrophobicContact CE2-CG 3.94Å; F29-Q198 HydrophobicContact CG-CB 3.33Å; F29-Q198 HydrophobicContact CG-CG 3.72Å; F29-Q198 HydrophobicContact CZ-CG 3.89Å; F29-V199 HydrophobicContact CB-CG1 3.81Å
30V97.5Very high85.2Confident12 Ų1261.7 Ų61.77%0.07337%0.372CS..EExtended strand (participates in β ladder)trans-127.1137.4-177.4-1710000109.1V28 D34 L36 L93 V118 T119 V120 Q121V28-V30 HydrophobicContact CG1-CG2 3.99Å; V30-D34 HydrophobicContact CG1-CB 4.08Å; V30-L36 HydrophobicContact CG2-CB 4.07Å; V30-L36 HydrophobicContact CG2-CD1 4Å; V30-L36 HydrophobicContact CG2-CD2 3.91Å; V30-L36 HydrophobicContact CG2-CG 4.2Å; V30-L93 HydrophobicContact CB-CD2 4.34Å; V30-L93 HydrophobicContact CG1-CB 4.49Å; V30-L93 HydrophobicContact CG1-CD2 4.28Å; V30-L93 HydrophobicContact CG2-CD2 4.28Å; V30-V118 HydrophobicContact CG2-CG1 4.18Å; V30-T119 PolarHBondContact N-O 2.8Å; V30-V120 CarbonylContact O-C 3.5Å; V30-V120 VanDerWaalsContact O-CA 3.29Å; V30-V120 WeakPolarHBondContact O-CA 3.26Å; V30-Q121 PolarHBondContact O-N 3.07Å
31K97.2Very high86.6Confident83 Ų8359.6 Ų59.636%0.36137%0.37SS..EExtended strand (participates in β ladder)trans-71.8137.7174.5-174.1-175172.5-169.90109.6G33 D34 Q121 V199K31-G33 PolarHBondContact O-N 3.09Å; K31-D34 HydrophobicContact CB-CB 4.42Å; K31-D34 WeakPolarHBondContact CB-OD2 3.29Å; K31-D34 WeakPolarHBondContact O-CB 3.16Å; K31-D34 PolarHBondContact O-N 2.98Å; K31-Q121 CarbonylContact C-O 3.56Å; K31-Q121 WeakPolarHBondContact CA-O 3.25Å; K31-V199 HydrophobicContact CB-CB 4.15Å; K31-V199 HydrophobicContact CB-CG2 4.34Å
32T97.1Very high88.2Confident34 Ų3459.1 Ų59.121%0.20935%0.352CS..THydrogen-bonded Turntrans-51.8127.8174.5-56.90000110.8Q121 D122T32-Q121 PolarHBondContact N-O 2.77Å; T32-Q121 PolarHBondContact OG1-O 2.68Å; T32-D122 VanDerWaalsContact CB-OD1 3.3Å; T32-D122 WeakPolarHBondContact CB-OD1 3.39Å; T32-D122 PolarHBondContact OG1-N 2.85Å; T32-D122 PolarHBondContact OG1-OD1 2.77Å
33G97.3Very high89.7Confident31 Ų3162.7 Ų62.732%0.3236%0.357SS..THydrogen-bonded Turntrans92.3-14.1-17900000115.1K31 N92 L93K31-G33 PolarHBondContact O-N 3.09Å; G33-N92 WeakPolarHBondContact CA-OD1 3.47Å; G33-L93 PolarHBondContact N-O 3.24Å
34D97.9Very high90.8Very high79 Ų7961.4 Ų61.442%0.42235%0.346SS..  trans-81.9164.7178.2-69.74000111.3V30 K31 L93V30-D34 HydrophobicContact CG1-CB 4.08Å; K31-D34 HydrophobicContact CB-CB 4.42Å; K31-D34 WeakPolarHBondContact CB-OD2 3.29Å; K31-D34 WeakPolarHBondContact O-CB 3.16Å; K31-D34 PolarHBondContact O-N 2.98Å; D34-L93 VanDerWaalsContact O-CD1 3.25Å; D34-L93 WeakPolarHBondContact O-CD1 3.36Å; D34-L93 PolarHBondContact O-N 2.83Å
35D97.7Very high91.2Very high80 Ų8060.2 Ų60.243%0.42833%0.331SS..  trans-92.4150.2175.9-71.63.4000110.8R89 L90 K91 N92D35-R89 HydrophobicContact CB-CG 4.25Å; D35-L90 CarbonylContact C-O 3.56Å; D35-L90 VanDerWaalsContact CA-O 3.28Å; D35-L90 WeakPolarHBondContact CA-O 3.27Å; D35-L90 WeakPolarHBondContact CB-O 3.4Å; D35-K91 WeakPolarHBondContact OD1-CA 3.07Å; D35-N92 PolarHBondContact OD1-N 2.89Å
36L97.1Very high90.8Very high20 Ų2063.3 Ų63.311%0.10536%0.356CS..EExtended strand (participates in β ladder)trans-126.1133.8174.9175.362.8000110.9V28 V30 L38 R89 L90 L93 V118V28-L36 HydrophobicContact CG1-CD1 3.72Å; V28-L36 HydrophobicContact CG1-CD2 4.27Å; V30-L36 HydrophobicContact CG2-CB 4.07Å; V30-L36 HydrophobicContact CG2-CD1 4Å; V30-L36 HydrophobicContact CG2-CD2 3.91Å; V30-L36 HydrophobicContact CG2-CG 4.2Å; L36-L38 HydrophobicContact CD2-CD2 3.65Å; L36-L38 HydrophobicContact CD2-CG 4.47Å; L36-L38 HydrophobicContact CG-CD2 4.06Å; L36-R89 CarbonylContact O-C 3.58Å; L36-R89 WeakPolarHBondContact O-CA 3Å; L36-L90 HydrophobicContact CB-CB 4.47Å; L36-L90 HydrophobicContact CD2-CD1 4.48Å; L36-L90 PolarHBondContact N-O 2.63Å; L36-L90 PolarHBondContact O-N 2.8Å; L36-L93 HydrophobicContact CB-CD1 3.89Å; L36-L93 HydrophobicContact CB-CD2 3.94Å; L36-L93 HydrophobicContact CD2-CD2 4.22Å; L36-V118 HydrophobicContact CD2-CB 4.37Å; L36-V118 HydrophobicContact CD2-CG1 3.82Å; L36-V118 HydrophobicContact CD2-CG2 3.55Å
37I95.9Very high90.2Very high64 Ų6466 Ų6633%0.32837%0.368SS..EExtended strand (participates in β ladder)trans-99.7119.5170.3-58.9175.7000109.1N39 L82 V88 R89I37-N39 VanDerWaalsContact CG2-OD1 3.31Å; I37-N39 WeakPolarHBondContact CG2-OD1 3.49Å; I37-L82 HydrophobicContact CD1-CD1 4.14Å; I37-L82 HydrophobicContact CG1-CD1 4.22Å; I37-L82 HydrophobicContact CG2-CD1 3.6Å; I37-V88 WeakPolarHBondContact CA-O 3.19Å; I37-R89 HydrophobicContact CG1-CB 4.24Å; I37-R89 HydrophobicContact CG1-CG 4.21Å
38L94.7Very high89.6Confident0 Ų061.7 Ų61.70%035%0.346CS..EExtended strand (participates in β ladder)trans-90.9107.4169.7-59.5-179.1000108.6L36 W53 S87 V88 L90 Y101 Y116 V118L36-L38 HydrophobicContact CD2-CD2 3.65Å; L36-L38 HydrophobicContact CD2-CG 4.47Å; L36-L38 HydrophobicContact CG-CD2 4.06Å; L38-W53 HydrophobicContact CB-CD2 4.5Å; L38-W53 HydrophobicContact CB-CE3 4.34Å; L38-W53 HydrophobicContact CB-CH2 3.69Å; L38-W53 HydrophobicContact CB-CZ2 3.85Å; L38-W53 HydrophobicContact CB-CZ3 3.95Å; L38-W53 HydrophobicContact CD1-CD2 4.41Å; L38-W53 HydrophobicContact CD1-CE3 3.87Å; L38-W53 HydrophobicContact CD1-CZ3 3.95Å; L38-W53 HydrophobicContact CG-CZ3 4.5Å; L38-S87 WeakPolarHBondContact O-CA 3.46Å; L38-S87 VanDerWaalsContact O-CB 3.32Å; L38-S87 WeakPolarHBondContact O-CB 3.37Å; L38-V88 HydrophobicContact CB-CG2 3.9Å; L38-V88 HydrophobicContact CD1-CG2 4.04Å; L38-V88 HydrophobicContact CG-CG2 4.33Å; L38-V88 PolarHBondContact N-O 3.12Å; L38-V88 PolarHBondContact O-N 3.07Å; L38-V88 VanDerWaalsContact O-N 3.13Å; L38-L90 HydrophobicContact CD1-CD1 3.89Å; L38-L90 HydrophobicContact CD1-CG 4.28Å; L38-L90 HydrophobicContact CG-CD1 4.22Å; L38-L90 HydrophobicContact CG-CG 4.47Å; L38-Y101 HydrophobicContact CD1-CD1 3.7Å; L38-Y101 HydrophobicContact CD1-CG 3.8Å; L38-Y116 HydrophobicContact CD2-CD1 4.26Å; L38-Y116 HydrophobicContact CD2-CD2 4.01Å; L38-Y116 HydrophobicContact CD2-CG 3.84Å; L38-V118 HydrophobicContact CD2-CG2 4.39Å
39N91.6Very high89Confident81 Ų8164.3 Ų64.343%0.43336%0.362SS..  trans-87.9136-179.8-67.9-48.9000110.6I37 T41 Y116I37-N39 VanDerWaalsContact CG2-OD1 3.31Å; I37-N39 WeakPolarHBondContact CG2-OD1 3.49Å; N39-T41 PolarHBondContact O-N 2.85Å; N39-Y116 PolarHBondContact O-OH 3.5Å
40L87.3Confident88.7Confident14 Ų1462.7 Ų62.77%0.07336%0.358CS..  trans-86.6105.4167.9-169.364.8000109.1T42 I44 W53 K85 Y86 S87 A103 L113 T114L40-T42 WeakPolarHBondContact CG-O 3.35Å; L40-I44 HydrophobicContact CD2-CD1 3.64Å; L40-I44 HydrophobicContact CD2-CG1 3.54Å; L40-W53 HydrophobicContact CB-CZ2 4.41Å; L40-K85 WeakPolarHBondContact CB-O 3.47Å; L40-Y86 HydrophobicContact CD2-CD2 4.3Å; L40-S87 PolarHBondContact N-OG 2.87Å; L40-A103 HydrophobicContact CD1-CB 3.7Å; L40-L113 HydrophobicContact CD1-CB 4.05Å; L40-L113 HydrophobicContact CD1-CD1 4.07Å; L40-L113 HydrophobicContact CD2-CD1 4.5Å; L40-T114 HydrophobicContact CD1-CG2 3.9Å
41T75.9Confident88.4Confident108 Ų10862.9 Ų62.966%0.66336%0.358SS*.  trans-84.4-24.5179.850.50000112.9N39N39-T41 PolarHBondContact O-N 2.85Å
42T79.8Confident88.1Confident63 Ų6359.3 Ų59.339%0.38734%0.343SS..SBendtrans-93.3137.4-176.1-49.30000109.8L40 L113L40-T42 WeakPolarHBondContact CG-O 3.35Å; T42-L113 HydrophobicContact CG2-CD2 4.37Å; T42-L113 PolarHBondContact OG1-O 3.21Å
43E80.9Confident88Confident179 Ų17957.8 Ų57.884%0.83633%0.334SS*.PPolyproline II helixtrans-65.7136.9173.3-67.2-173.6174.100110.5
44I80.9Confident87.8Confident34 Ų3457.5 Ų57.517%0.17432%0.324CS..PPolyproline II helixtrans-74.4129.8174-57.5-170.9000107.6L40 S46 A48 W51 Y86 L113L40-I44 HydrophobicContact CD2-CD1 3.64Å; L40-I44 HydrophobicContact CD2-CG1 3.54Å; I44-S46 PolarHBondContact O-N 2.92Å; I44-A48 HydrophobicContact CG2-CB 3.63Å; I44-W51 HydrophobicContact CD1-CD2 3.55Å; I44-W51 VanDerWaalsContact CD1-CE2 3.44Å; I44-W51 HydrophobicContact CD1-CE3 4.26Å; I44-W51 HydrophobicContact CD1-CG 3.66Å; I44-W51 HydrophobicContact CD1-CZ2 4.16Å; I44-W51 HydrophobicContact CG2-CD2 4.38Å; I44-W51 HydrophobicContact CG2-CE3 4.2Å; I44-Y86 HydrophobicContact CD1-CD2 3.25Å; I44-Y86 HydrophobicContact CD1-CE2 3.55Å; I44-Y86 HydrophobicContact CD1-CG 3.92Å; I44-Y86 HydrophobicContact CG1-CD2 4.15Å; I44-Y86 HydrophobicContact CG1-CE2 4.33Å; I44-L113 HydrophobicContact CG1-CD1 4.21Å
45P79.7Confident87.7Confident50 Ų5055.3 Ų55.333%0.32531%0.311SS..PPolyproline II helixtrans-51.8136.9174.1-25.834.1000111.4D47 A48P45-D47 WeakPolarHBondContact CB-OD1 3.49Å; P45-D47 PolarHBondContact O-N 3.31Å; P45-A48 HydrophobicContact CB-CB 4.35Å; P45-A48 WeakPolarHBondContact O-CB 3.48Å; P45-A48 PolarHBondContact O-N 3.28Å
46S78.5Confident87.2Confident130 Ų13055.6 Ų55.691%0.90932%0.315SS*.THydrogen-bonded Turntrans-66.6-21.6-174.753.10000113.8I44I44-S46 PolarHBondContact O-N 2.92Å
47D80.4Confident86.5Confident119 Ų11960.5 Ų60.564%0.63634%0.342SS*.THydrogen-bonded Turntrans-87.9-4.9175.363.9-35000113.3P45 T49P45-D47 WeakPolarHBondContact CB-OD1 3.49Å; P45-D47 PolarHBondContact O-N 3.31Å; D47-T49 PolarHBondContact O-N 3.13Å
48A81.3Confident86.3Confident7 Ų765 Ų656%0.05836%0.359CS..  trans-66126.7176.300000111.6I44 P45 T65 V105I44-A48 HydrophobicContact CG2-CB 3.63Å; P45-A48 HydrophobicContact CB-CB 4.35Å; P45-A48 WeakPolarHBondContact O-CB 3.48Å; P45-A48 PolarHBondContact O-N 3.28Å; A48-T65 PolarHBondContact O-OG1 2.63Å; A48-T65 VanDerWaalsContact O-OG1 3.12Å; A48-V105 HydrophobicContact CB-CG2 3.29Å
49T84.6Confident86.2Confident87 Ų8766.3 Ų66.353%0.53437%0.37SS..  trans-98.1-29.3176.1-52.70000112.2D47 I64 T65D47-T49 PolarHBondContact O-N 3.13Å; T49-I64 WeakPolarHBondContact O-CA 3.31Å; T49-T65 PolarHBondContact O-N 3.22Å; T49-T65 PolarHBondContact O-OG1 3.24Å
50V89.3Confident86.3Confident41 Ų4162.5 Ų62.525%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-137.5133.6-175.5-1770000109.6T62 F63 I64 V105 T106V50-T62 HydrophobicContact CG1-CG2 3.97Å; V50-F63 WeakPolarHBondContact CA-O 3.33Å; V50-I64 HydrophobicContact CG2-CG1 4.29Å; V50-V105 WeakPolarHBondContact O-CG2 3.22Å; V50-T106 PolarHBondContact O-N 2.99Å
51W90.6Very high86.6Confident17 Ų1761.9 Ų61.96%0.06435%0.346CS..EExtended strand (participates in β ladder)trans-140.9160.1166.862.999000110.4I44 F63 T65 Y86 K104 V105I44-W51 HydrophobicContact CD1-CD2 3.55Å; I44-W51 VanDerWaalsContact CD1-CE2 3.44Å; I44-W51 HydrophobicContact CD1-CE3 4.26Å; I44-W51 HydrophobicContact CD1-CG 3.66Å; I44-W51 HydrophobicContact CD1-CZ2 4.16Å; I44-W51 HydrophobicContact CG2-CD2 4.38Å; I44-W51 HydrophobicContact CG2-CE3 4.2Å; W51-F63 AromaticContact CD1-CD2 3.45Å; W51-F63 VanDerWaalsContact CD1-CD2 3.45Å; W51-F63 AromaticContact CD1-CG 3.78Å; W51-F63 HydrophobicContact CD2-CB 3.67Å; W51-F63 HydrophobicContact CD2-CG 4.46Å; W51-F63 AromaticContact CE2-CG 3.63Å; W51-F63 HydrophobicContact CE3-CB 4.38Å; W51-F63 HydrophobicContact CG-CB 4.03Å; W51-F63 HydrophobicContact CG-CD2 4.35Å; W51-F63 HydrophobicContact CH2-CB 4.06Å; W51-F63 HydrophobicContact CZ2-CB 3.27Å; W51-F63 HydrophobicContact CZ2-CD1 4.25Å; W51-F63 AromaticContact CZ2-CG 3.96Å; W51-F63 HydrophobicContact CZ2-CG 3.96Å; W51-F63 PolarHBondContact N-O 3.01Å; W51-F63 AromaticContact NE1-CD1 3.83Å; W51-F63 AromaticContact NE1-CD2 3.31Å; W51-F63 VanDerWaalsContact NE1-CD2 3.31Å; W51-F63 AromaticContact NE1-CG 3.18Å; W51-F63 PolarHBondContact O-N 2.88Å; W51-T65 WeakPolarHBondContact CZ3-OG1 3.41Å; W51-Y86 AromaticContact CE2-CD1 3.79Å; W51-Y86 AromaticContact CE2-CG 3.9Å; W51-Y86 HydrophobicContact CH2-CE1 4.02Å; W51-Y86 AromaticContact CZ2-CD1 3.42Å; W51-Y86 HydrophobicContact CZ2-CD1 3.42Å; W51-Y86 VanDerWaalsContact CZ2-CD1 3.42Å; W51-Y86 HydrophobicContact CZ2-CD2 4.3Å; W51-Y86 AromaticContact CZ2-CE1 3.2Å; W51-Y86 HydrophobicContact CZ2-CE1 3.2Å; W51-Y86 HydrophobicContact CZ2-CE2 4.09Å; W51-Y86 AromaticContact CZ2-CG 3.95Å; W51-Y86 HydrophobicContact CZ2-CG 3.95Å; W51-Y86 AromaticContact CZ2-CZ 3.52Å; W51-Y86 AromaticContact NE1-CD1 3.61Å; W51-Y86 AromaticContact NE1-CG 3.41Å; W51-K104 CarbonylContact C-O 3.58Å; W51-K104 WeakPolarHBondContact CA-O 3.25Å; W51-K104 VanDerWaalsContact CB-O 3.29Å; W51-K104 WeakPolarHBondContact CB-O 3.4Å; W51-V105 HydrophobicContact CB-CB 4.4Å; W51-V105 HydrophobicContact CB-CG2 4.35Å
52S92.4Very high87.5Confident7 Ų758 Ų585%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-149.3148.1-176.559.40000112Q54 V61 A103 K104S52-Q54 PolarHBondContact OG-NE2 3.38Å; S52-V61 CarbonylContact C-O 3.59Å; S52-V61 WeakPolarHBondContact CA-O 3.45Å; S52-V61 VanDerWaalsContact CB-O 3.25Å; S52-V61 WeakPolarHBondContact CB-O 3.32Å; S52-A103 CarbonylContact O-C 3.48Å; S52-A103 WeakPolarHBondContact O-CA 3.44Å; S52-K104 PolarHBondContact N-O 3.14Å; S52-K104 PolarHBondContact O-N 2.88Å
53W94.3Very high88Confident3 Ų355.4 Ų55.41%0.01131%0.306CS..EExtended strand (participates in β ladder)trans-84.9137155.5-77.8102.4000108.5L38 L40 A59 I60 V61 F63 Y86 V88 T102 A103 T114 Y116L38-W53 HydrophobicContact CB-CD2 4.5Å; L38-W53 HydrophobicContact CB-CE3 4.34Å; L38-W53 HydrophobicContact CB-CH2 3.69Å; L38-W53 HydrophobicContact CB-CZ2 3.85Å; L38-W53 HydrophobicContact CB-CZ3 3.95Å; L38-W53 HydrophobicContact CD1-CD2 4.41Å; L38-W53 HydrophobicContact CD1-CE3 3.87Å; L38-W53 HydrophobicContact CD1-CZ3 3.95Å; L38-W53 HydrophobicContact CG-CZ3 4.5Å; L40-W53 HydrophobicContact CB-CZ2 4.41Å; W53-A59 WeakPolarHBondContact O-CA 3.49Å; W53-I60 HydrophobicContact CB-CD1 3.73Å; W53-I60 HydrophobicContact CB-CG1 3.48Å; W53-I60 VanDerWaalsContact CB-CG1 3.48Å; W53-I60 WeakPolarHBondContact O-CG1 3.35Å; W53-I60 PolarHBondContact O-N 2.95Å; W53-V61 PolarHBondContact N-O 3.25Å; W53-V61 PolarHBondContact O-N 3.02Å; W53-F63 AromaticContact CD1-CE2 3.95Å; W53-Y86 PolarHBondContact NE1-O 2.83Å; W53-V88 HydrophobicContact CB-CG2 4.38Å; W53-V88 VanDerWaalsContact CD1-CG1 3.43Å; W53-V88 HydrophobicContact CD2-CG2 4.02Å; W53-V88 HydrophobicContact CG-CG1 4.22Å; W53-V88 HydrophobicContact CG-CG2 3.77Å; W53-T102 CarbonylContact C-O 3.6Å; W53-A103 HydrophobicContact CD2-CB 4.07Å; W53-A103 HydrophobicContact CE3-CB 3.92Å; W53-A103 HydrophobicContact CH2-CB 3.82Å; W53-A103 HydrophobicContact CZ2-CB 3.97Å; W53-A103 HydrophobicContact CZ3-CB 3.8Å; W53-T114 HydrophobicContact CH2-CG2 3.68Å; W53-T114 HydrophobicContact CZ2-CG2 4.45Å; W53-T114 HydrophobicContact CZ3-CG2 4.26Å; W53-Y116 AromaticContact CH2-CD2 3.96Å; W53-Y116 HydrophobicContact CH2-CD2 3.96Å; W53-Y116 AromaticContact CH2-CE2 3.72Å; W53-Y116 HydrophobicContact CH2-CE2 3.72Å; W53-Y116 AromaticContact CZ3-CD2 3.96Å; W53-Y116 HydrophobicContact CZ3-CD2 3.96Å; W53-Y116 HydrophobicContact CZ3-CE2 4.21Å
54Q93.9Very high88.4Confident24 Ų2450.3 Ų50.311%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-126.8143.9178.3-54.7-171.68.300110.4S52 K58 Y101 T102S52-Q54 PolarHBondContact OG-NE2 3.38Å; Q54-K58 CarbonylContact C-O 3.46Å; Q54-K58 WeakPolarHBondContact CA-O 3.41Å; Q54-Y101 CarbonylContact O-C 3.57Å; Q54-Y101 VanDerWaalsContact O-CA 3.25Å; Q54-Y101 WeakPolarHBondContact O-CA 3.42Å; Q54-T102 PolarHBondContact N-O 3.37Å; Q54-T102 PolarHBondContact O-N 3.17Å
55F94.3Very high88.6Confident34 Ų3452.7 Ų52.715%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-116.4121.2168.4176.3-120.6000108.4N57 K58 I60 Y101F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.13Å; F55-K58 PolarHBondContact N-O 3.14Å; F55-K58 PolarHBondContact O-N 2.78Å; F55-I60 HydrophobicContact CB-CG2 3.7Å; F55-Y101 HydrophobicContact CB-CD1 3.94Å; F55-Y101 HydrophobicContact CB-CE1 3.69Å; F55-Y101 AromaticContact CD2-CD1 3.92Å; F55-Y101 HydrophobicContact CD2-CD1 3.92Å; F55-Y101 AromaticContact CD2-CD2 3.87Å; F55-Y101 HydrophobicContact CD2-CD2 3.87Å; F55-Y101 AromaticContact CD2-CE1 3.5Å; F55-Y101 HydrophobicContact CD2-CE1 3.5Å; F55-Y101 AromaticContact CD2-CE2 3.46Å; F55-Y101 HydrophobicContact CD2-CE2 3.46Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.46Å; F55-Y101 HydrophobicContact CD2-CG 4.1Å; F55-Y101 AromaticContact CD2-CZ 3.26Å; F55-Y101 HydrophobicContact CE2-CD2 4.28Å; F55-Y101 HydrophobicContact CE2-CE1 4.34Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.65Å; F55-Y101 HydrophobicContact CG-CD1 4.32Å; F55-Y101 AromaticContact CG-CE1 3.78Å; F55-Y101 HydrophobicContact CG-CE1 3.78Å; F55-Y101 HydrophobicContact CG-CE2 4.49Å; F55-Y101 AromaticContact CG-CZ 3.89Å
56T87.1Confident88.9Confident86 Ų8654.4 Ų54.453%0.52833%0.327SS..THydrogen-bonded Turntrans48.850.6-177.4-46.40000112.3K58 I100T56-K58 PolarHBondContact O-N 3.49Å; T56-K58 VanDerWaalsContact O-N 3.14Å; T56-I100 PolarHBondContact N-O 2.84Å; T56-I100 VanDerWaalsContact N-O 3.13Å
57N84.1Confident89.3Confident123 Ų12351.9 Ų51.966%0.65831%0.309SS*.THydrogen-bonded Turntrans61.613.7-178.3-56.4-45.4000116.3F55F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.13Å
58K90.3Very high89.7Confident157 Ų15755 Ų5568%0.68332%0.317SS*.EExtended strand (participates in β ladder)trans-110.7129.6172.5-65.4179.1-177.7175.60109.2Q54 F55 T56 I60Q54-K58 CarbonylContact C-O 3.46Å; Q54-K58 WeakPolarHBondContact CA-O 3.41Å; F55-K58 PolarHBondContact N-O 3.14Å; F55-K58 PolarHBondContact O-N 2.78Å; T56-K58 PolarHBondContact O-N 3.49Å; T56-K58 VanDerWaalsContact O-N 3.14Å; K58-I60 PolarHBondContact O-N 3.43Å
59A92.2Very high90.2Very high29 Ų2957.6 Ų57.624%0.2433%0.333CS..EExtended strand (participates in β ladder)trans-56137.5175.100000110.8W53 Q72W53-A59 WeakPolarHBondContact O-CA 3.49Å; A59-Q72 HydrophobicContact CB-CG 4.25Å; A59-Q72 VanDerWaalsContact O-CG 3.24Å; A59-Q72 WeakPolarHBondContact O-CG 3.09Å
60I94.9Very high90.6Very high1 Ų157.1 Ų57.11%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-106.2-40.3169.357.6167.8000110.3W53 F55 K58 Q72 V88 L90 Y101W53-I60 HydrophobicContact CB-CD1 3.73Å; W53-I60 HydrophobicContact CB-CG1 3.48Å; W53-I60 VanDerWaalsContact CB-CG1 3.48Å; W53-I60 WeakPolarHBondContact O-CG1 3.35Å; W53-I60 PolarHBondContact O-N 2.95Å; F55-I60 HydrophobicContact CB-CG2 3.7Å; K58-I60 PolarHBondContact O-N 3.43Å; I60-Q72 PolarHBondContact O-N 2.94Å; I60-V88 HydrophobicContact CD1-CG2 4.46Å; I60-L90 HydrophobicContact CD1-CD2 3.89Å; I60-Y101 HydrophobicContact CD1-CD1 4.12Å; I60-Y101 HydrophobicContact CD1-CE1 4.24Å
61V94.2Very high90.8Very high0 Ų057.4 Ų57.40%033%0.332CS..EExtended strand (participates in β ladder)trans-140134.2175.5-174.50000108.3S52 W53 F63 P69 T70 V71 V79 V81 V88S52-V61 CarbonylContact C-O 3.59Å; S52-V61 WeakPolarHBondContact CA-O 3.45Å; S52-V61 VanDerWaalsContact CB-O 3.25Å; S52-V61 WeakPolarHBondContact CB-O 3.32Å; W53-V61 PolarHBondContact N-O 3.25Å; W53-V61 PolarHBondContact O-N 3.02Å; V61-F63 HydrophobicContact CB-CE2 4.06Å; V61-F63 HydrophobicContact CB-CZ 4.44Å; V61-F63 HydrophobicContact CG1-CD2 4.12Å; V61-F63 HydrophobicContact CG1-CE1 4.27Å; V61-F63 HydrophobicContact CG1-CE2 3.53Å; V61-F63 HydrophobicContact CG1-CZ 3.62Å; V61-P69 HydrophobicContact CG1-CB 4.38Å; V61-T70 WeakPolarHBondContact CA-O 3.39Å; V61-V71 HydrophobicContact CG2-CG2 4.14Å; V61-V79 HydrophobicContact CG2-CB 4.43Å; V61-V79 HydrophobicContact CG2-CG1 3.51Å; V61-V81 HydrophobicContact CG1-CG2 3.73Å; V61-V81 HydrophobicContact CG2-CG2 4.36Å; V61-V88 HydrophobicContact CB-CG1 4.31Å; V61-V88 HydrophobicContact CG2-CG1 3.96Å
62T93.1Very high90.9Very high28 Ų2860.1 Ų60.117%0.17235%0.346CS..EExtended strand (participates in β ladder)trans-116137.4173.6-55.70000109.3V50 I64 T70V50-T62 HydrophobicContact CG1-CG2 3.97Å; T62-I64 HydrophobicContact CG2-CG1 4.26Å; T62-T70 PolarHBondContact N-O 2.82Å; T62-T70 PolarHBondContact O-N 2.89Å
63F90.6Very high90.7Very high7 Ų769 Ų693%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-119.8135.3176.2-56.3-100.7000108.3V50 W51 W53 V61 P69 V81 Y86 V88V50-F63 WeakPolarHBondContact CA-O 3.33Å; W51-F63 AromaticContact CD1-CD2 3.45Å; W51-F63 VanDerWaalsContact CD1-CD2 3.45Å; W51-F63 AromaticContact CD1-CG 3.78Å; W51-F63 HydrophobicContact CD2-CB 3.67Å; W51-F63 HydrophobicContact CD2-CG 4.46Å; W51-F63 AromaticContact CE2-CG 3.63Å; W51-F63 HydrophobicContact CE3-CB 4.38Å; W51-F63 HydrophobicContact CG-CB 4.03Å; W51-F63 HydrophobicContact CG-CD2 4.35Å; W51-F63 HydrophobicContact CH2-CB 4.06Å; W51-F63 HydrophobicContact CZ2-CB 3.27Å; W51-F63 HydrophobicContact CZ2-CD1 4.25Å; W51-F63 AromaticContact CZ2-CG 3.96Å; W51-F63 HydrophobicContact CZ2-CG 3.96Å; W51-F63 PolarHBondContact N-O 3.01Å; W51-F63 AromaticContact NE1-CD1 3.83Å; W51-F63 AromaticContact NE1-CD2 3.31Å; W51-F63 VanDerWaalsContact NE1-CD2 3.31Å; W51-F63 AromaticContact NE1-CG 3.18Å; W51-F63 PolarHBondContact O-N 2.88Å; W53-F63 AromaticContact CD1-CE2 3.95Å; V61-F63 HydrophobicContact CB-CE2 4.06Å; V61-F63 HydrophobicContact CB-CZ 4.44Å; V61-F63 HydrophobicContact CG1-CD2 4.12Å; V61-F63 HydrophobicContact CG1-CE1 4.27Å; V61-F63 HydrophobicContact CG1-CE2 3.53Å; V61-F63 HydrophobicContact CG1-CZ 3.62Å; F63-P69 HydrophobicContact CD1-CB 3.83Å; F63-P69 HydrophobicContact CD1-CG 3.83Å; F63-P69 HydrophobicContact CE1-CB 3.86Å; F63-P69 HydrophobicContact CE1-CG 3.89Å; F63-V81 HydrophobicContact CE1-CG1 3.57Å; F63-V81 HydrophobicContact CZ-CG1 3.92Å; F63-Y86 AromaticContact CD1-CD1 3.83Å; F63-Y86 HydrophobicContact CD1-CD1 3.83Å; F63-Y86 HydrophobicContact CE1-CD1 4.03Å; F63-Y86 HydrophobicContact CG-CD1 4.47Å; F63-V88 HydrophobicContact CZ-CG1 4.18Å
64I89.5Confident90.4Very high72 Ų7273.5 Ų73.537%0.36942%0.415SS..EExtended strand (participates in β ladder)trans-128.5131.1178.8-57.6176.5000106.7T49 V50 T62 G66 S67T49-I64 WeakPolarHBondContact O-CA 3.31Å; V50-I64 HydrophobicContact CG2-CG1 4.29Å; T62-I64 HydrophobicContact CG2-CG1 4.26Å; I64-G66 PolarHBondContact O-N 3.48Å; I64-S67 PolarHBondContact O-N 2.8Å
65T86.4Confident90Very high84 Ų8474.3 Ų74.352%0.51542%0.419SS..THydrogen-bonded Turntrans-53.2127.9179.3-55.80000110.6A48 T49 W51 S67A48-T65 PolarHBondContact O-OG1 2.63Å; A48-T65 VanDerWaalsContact O-OG1 3.12Å; T49-T65 PolarHBondContact O-N 3.22Å; T49-T65 PolarHBondContact O-OG1 3.24Å; W51-T65 WeakPolarHBondContact CZ3-OG1 3.41Å; T65-S67 VanDerWaalsContact C-N 3.29Å; T65-S67 PolarHBondContact O-N 2.92Å
66G84.4Confident89.6Confident87 Ų8777.4 Ų77.490%0.89744%0.441SS*.THydrogen-bonded Turntrans78.53.2-178.900000115.7I64I64-G66 PolarHBondContact O-N 3.48Å
67S87.9Confident89.6Confident76 Ų7676.6 Ų76.653%0.53145%0.449SS..SBendtrans-119.2161.5178.3-61.20000112.1I64 T65I64-S67 PolarHBondContact O-N 2.8Å; T65-S67 VanDerWaalsContact C-N 3.29Å; T65-S67 PolarHBondContact O-N 2.92Å
68K89Confident90.1Very high186 Ų18674.9 Ų74.981%0.80943%0.433SS*.  trans-69.7145.1171.1-68.9-172.9178.2-175.50110.5
69P91Very high90.3Very high60 Ų6068.1 Ų68.139%0.3941%0.405SS..  trans-55.8140173-22.632.2000111.5V61 F63 V81V61-P69 HydrophobicContact CG1-CB 4.38Å; F63-P69 HydrophobicContact CD1-CB 3.83Å; F63-P69 HydrophobicContact CD1-CG 3.83Å; F63-P69 HydrophobicContact CE1-CB 3.86Å; F63-P69 HydrophobicContact CE1-CG 3.89Å; P69-V81 HydrophobicContact CB-CB 4.43Å; P69-V81 HydrophobicContact CB-CG1 4.08Å; P69-V81 HydrophobicContact CB-CG2 3.97Å; P69-V81 HydrophobicContact CG-CG1 3.93Å
70T92.6Very high90.4Very high78 Ų7870 Ų7048%0.47941%0.409SS..EExtended strand (participates in β ladder)trans-113.5112.7179.2-59.70000109.7V61 T62V61-T70 WeakPolarHBondContact CA-O 3.39Å; T62-T70 PolarHBondContact N-O 2.82Å; T62-T70 PolarHBondContact O-N 2.89Å
71V93.4Very high90.2Very high46 Ų4671.6 Ų71.628%0.27942%0.419SS..EExtended strand (participates in β ladder)trans-83.6132.5171.9-176.80000108.9V61 H75 V79 V81V61-V71 HydrophobicContact CG2-CG2 4.14Å; V71-H75 HydrophobicContact CG1-CB 4.14Å; V71-V79 HydrophobicContact CG1-CB 4.18Å; V71-V81 HydrophobicContact CG2-CG2 4.09Å
72Q93.1Very high90Very high75 Ų7573.3 Ų73.335%0.3543%0.428SS..  trans-65.4142.7178.3-70.3-63.3-13.600111.3A59 I60 S74 H75 T76A59-Q72 HydrophobicContact CB-CG 4.25Å; A59-Q72 VanDerWaalsContact O-CG 3.24Å; A59-Q72 WeakPolarHBondContact O-CG 3.09Å; I60-Q72 PolarHBondContact O-N 2.94Å; Q72-S74 PolarHBondContact O-N 2.93Å; Q72-S74 VanDerWaalsContact O-N 3.11Å; Q72-H75 CarbonylContact O-C 3.59Å; Q72-H75 WeakPolarHBondContact O-CA 3.25Å; Q72-H75 PolarHBondContact O-N 2.61Å; Q72-T76 PolarHBondContact O-N 3.09Å
73K88.7Confident88.9Confident193 Ų19380 Ų8084%0.83946%0.463SS*.G310 helixtrans-53.4-39.9-173.7-72.7-174.7-179.91790113.2H75 T76K73-H75 PolarHBondContact O-N 2.83Å; K73-H75 VanDerWaalsContact O-N 3.16Å; K73-T76 WeakPolarHBondContact CA-OG1 3.13Å; K73-T76 WeakPolarHBondContact O-CB 3.19Å; K73-T76 PolarHBondContact O-N 2.85Å; K73-T76 PolarHBondContact O-OG1 2.75Å
74S87.1Confident87.8Confident97 Ų9787.3 Ų87.368%0.67850%0.497SS*.G310 helixtrans-64.1-13.7177.647.80000114.7Q72Q72-S74 PolarHBondContact O-N 2.93Å; Q72-S74 VanDerWaalsContact O-N 3.11Å
75H86.4Confident87.2Confident41 Ų4191.7 Ų91.719%0.1951%0.513CS..G310 helixtrans-117.87-177.4-61.588.5000112.5V71 Q72 K73 G77 R78 V79V71-H75 HydrophobicContact CG1-CB 4.14Å; Q72-H75 CarbonylContact O-C 3.59Å; Q72-H75 WeakPolarHBondContact O-CA 3.25Å; Q72-H75 PolarHBondContact O-N 2.61Å; K73-H75 PolarHBondContact O-N 2.83Å; K73-H75 VanDerWaalsContact O-N 3.16Å; H75-G77 PolarHBondContact O-N 3.19Å; H75-R78 PolarHBondContact O-N 3.2Å; H75-R78 VanDerWaalsContact O-N 3.08Å; H75-V79 HydrophobicContact CB-CG2 3.9Å; H75-V79 PolarHBondContact O-N 2.89Å
76T85.1Confident87.1Confident100 Ų10092.8 Ų92.861%0.61351%0.509SS*.THydrogen-bonded Turntrans-58.5130.9178.5-48.20000110.5Q72 K73 R78Q72-T76 PolarHBondContact O-N 3.09Å; K73-T76 WeakPolarHBondContact CA-OG1 3.13Å; K73-T76 WeakPolarHBondContact O-CB 3.19Å; K73-T76 PolarHBondContact O-N 2.85Å; K73-T76 PolarHBondContact O-OG1 2.75Å; T76-R78 PolarHBondContact O-N 2.91Å; T76-R78 VanDerWaalsContact O-N 3.13Å
77G88.1Confident87.5Confident68 Ų6888.9 Ų88.970%0.70147%0.467SS*.THydrogen-bonded Turntrans76.6-15.7-178.300000114.9H75H75-G77 PolarHBondContact O-N 3.19Å
78R93.6Very high87.8Confident87 Ų8785.2 Ų85.233%0.32844%0.442SS..THydrogen-bonded Turntrans-94.8-16.5174.6-59.3-160.569.7-162.8-1.6113.4H75 T76 K91 N92 D97H75-R78 PolarHBondContact O-N 3.2Å; H75-R78 VanDerWaalsContact O-N 3.08Å; T76-R78 PolarHBondContact O-N 2.91Å; T76-R78 VanDerWaalsContact O-N 3.13Å; R78-K91 PolarHBondContact O-N 3.36Å; R78-N92 PolarHBondContact NH2-O 2.95Å; R78-N92 VanDerWaalsContact NH2-O 3.17Å; R78-D97 IonicContact CZ-OD1 3.66Å; R78-D97 IonicContact CZ-OD2 3.52Å; R78-D97 IonicContact NH1-OD1 2.94Å; R78-D97 PolarHBondContact NH1-OD1 2.73Å; R78-D97 IonicContact NH1-OD2 3.5Å; R78-D97 PolarHBondContact NH1-OD2 3.44Å; R78-D97 IonicContact NH2-OD1 2.97Å; R78-D97 IonicContact NH2-OD2 2.77Å; R78-D97 PolarHBondContact NH2-OD2 2.92Å
79V94.7Very high88.1Confident15 Ų1580.3 Ų80.39%0.09142%0.418CS..EExtended strand (participates in β ladder)trans-126132.6179.6-175.90000110V61 V71 H75 V88 R89 L90V61-V79 HydrophobicContact CG2-CB 4.43Å; V61-V79 HydrophobicContact CG2-CG1 3.51Å; V71-V79 HydrophobicContact CG1-CB 4.18Å; H75-V79 HydrophobicContact CB-CG2 3.9Å; H75-V79 PolarHBondContact O-N 2.89Å; V79-V88 HydrophobicContact CG1-CB 4.08Å; V79-V88 HydrophobicContact CG1-CG1 4.39Å; V79-R89 WeakPolarHBondContact CA-O 3.3Å; V79-L90 HydrophobicContact CG1-CD2 4.43Å; V79-L90 HydrophobicContact CG2-CD2 3.77Å
80E93.6Very high88.4Confident68 Ų6877.9 Ų77.932%0.31840%0.402SS..EExtended strand (participates in β ladder)trans-116.7129.3173170.3174.7-150.600108.9L82 V88 R89 K91E80-L82 HydrophobicContact CG-CD2 4.26Å; E80-V88 CarbonylContact O-C 3.53Å; E80-V88 WeakPolarHBondContact O-CA 3.29Å; E80-R89 HydrophobicContact CB-CB 4.26Å; E80-R89 PolarHBondContact N-O 3.26Å; E80-R89 PolarHBondContact O-N 2.79Å; E80-R89 IonicContact OE2-NH1 2.99Å; E80-K91 WeakPolarHBondContact OE2-CE 3.33Å; E80-K91 IonicContact OE2-NZ 2.76Å; E80-K91 PolarHBondContact OE2-NZ 3.31Å
81V92.1Very high88.6Confident35 Ų3577.5 Ų77.521%0.21239%0.394CS..EExtended strand (participates in β ladder)trans-84.2128.2174.4-178.20000107.9V61 F63 P69 V71V61-V81 HydrophobicContact CG1-CG2 3.73Å; V61-V81 HydrophobicContact CG2-CG2 4.36Å; F63-V81 HydrophobicContact CE1-CG1 3.57Å; F63-V81 HydrophobicContact CZ-CG1 3.92Å; P69-V81 HydrophobicContact CB-CB 4.43Å; P69-V81 HydrophobicContact CB-CG1 4.08Å; P69-V81 HydrophobicContact CB-CG2 3.97Å; P69-V81 HydrophobicContact CG-CG1 3.93Å; V71-V81 HydrophobicContact CG2-CG2 4.09Å
82L89.2Confident88.7Confident36 Ų3679.4 Ų79.419%0.18840%0.403CS..  trans-92.2128.6175.8-54177.7000107.8I37 E80 E84 S87 R89I37-L82 HydrophobicContact CD1-CD1 4.14Å; I37-L82 HydrophobicContact CG1-CD1 4.22Å; I37-L82 HydrophobicContact CG2-CD1 3.6Å; E80-L82 HydrophobicContact CG-CD2 4.26Å; L82-E84 PolarHBondContact O-N 2.84Å; L82-S87 WeakPolarHBondContact CB-O 3.39Å; L82-S87 PolarHBondContact N-O 2.84Å; L82-R89 HydrophobicContact CD1-CB 4.41Å; L82-R89 HydrophobicContact CD2-CB 4.2Å; L82-R89 HydrophobicContact CG-CB 4.4Å
83D70.9Confident88.9Confident170 Ų17076 Ų7691%0.90939%0.387SS*.SBendtrans-60.4-20.4-176.9-71.6-30.4000112.5
84E67.5Low89.3Confident160 Ų16070.1 Ų70.175%0.74836%0.362SS*.SBendtrans-86.2117.3176.9-62.3-176.4-174.800112.1L82 Y86 S87L82-E84 PolarHBondContact O-N 2.84Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 2.88Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-OG 3.01Å
85K75.9Confident89.7Confident164 Ų16471 Ų7171%0.71335%0.354SS*.THydrogen-bonded Turntrans58.427.7167-57.4-175.2176.5-175.60116.1L40 S87L40-K85 WeakPolarHBondContact CB-O 3.47Å; K85-S87 PolarHBondContact O-N 2.84Å; K85-S87 VanDerWaalsContact O-N 3.14Å
86Y85.8Confident90.1Very high106 Ų10673.4 Ų73.442%0.41638%0.375SS..THydrogen-bonded Turntrans6125176.9-42.6-69.5000113.8L40 I44 W51 W53 F63 E84L40-Y86 HydrophobicContact CD2-CD2 4.3Å; I44-Y86 HydrophobicContact CD1-CD2 3.25Å; I44-Y86 HydrophobicContact CD1-CE2 3.55Å; I44-Y86 HydrophobicContact CD1-CG 3.92Å; I44-Y86 HydrophobicContact CG1-CD2 4.15Å; I44-Y86 HydrophobicContact CG1-CE2 4.33Å; W51-Y86 AromaticContact CE2-CD1 3.79Å; W51-Y86 AromaticContact CE2-CG 3.9Å; W51-Y86 HydrophobicContact CH2-CE1 4.02Å; W51-Y86 AromaticContact CZ2-CD1 3.42Å; W51-Y86 HydrophobicContact CZ2-CD1 3.42Å; W51-Y86 VanDerWaalsContact CZ2-CD1 3.42Å; W51-Y86 HydrophobicContact CZ2-CD2 4.3Å; W51-Y86 AromaticContact CZ2-CE1 3.2Å; W51-Y86 HydrophobicContact CZ2-CE1 3.2Å; W51-Y86 HydrophobicContact CZ2-CE2 4.09Å; W51-Y86 AromaticContact CZ2-CG 3.95Å; W51-Y86 HydrophobicContact CZ2-CG 3.95Å; W51-Y86 AromaticContact CZ2-CZ 3.52Å; W51-Y86 AromaticContact NE1-CD1 3.61Å; W51-Y86 AromaticContact NE1-CG 3.41Å; W53-Y86 PolarHBondContact NE1-O 2.83Å; F63-Y86 AromaticContact CD1-CD1 3.83Å; F63-Y86 HydrophobicContact CD1-CD1 3.83Å; F63-Y86 HydrophobicContact CE1-CD1 4.03Å; F63-Y86 HydrophobicContact CG-CD1 4.47Å; E84-Y86 VanDerWaalsContact C-N 3.3Å; E84-Y86 PolarHBondContact O-N 2.88Å
87S91.1Very high90.6Very high5 Ų569.6 Ų69.64%0.03535%0.351CS..  trans-76.9152.4175.5-55.40000110L38 L40 L82 E84 K85L38-S87 WeakPolarHBondContact O-CA 3.46Å; L38-S87 VanDerWaalsContact O-CB 3.32Å; L38-S87 WeakPolarHBondContact O-CB 3.37Å; L40-S87 PolarHBondContact N-OG 2.87Å; L82-S87 WeakPolarHBondContact CB-O 3.39Å; L82-S87 PolarHBondContact N-O 2.84Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-OG 3.01Å; K85-S87 PolarHBondContact O-N 2.84Å; K85-S87 VanDerWaalsContact O-N 3.14Å
88V94.3Very high91Very high0 Ų068.3 Ų68.30%033%0.332CS..EExtended strand (participates in β ladder)trans-125.4138.5179.4-63.90000110.7I37 L38 W53 I60 V61 F63 V79 E80I37-V88 WeakPolarHBondContact CA-O 3.19Å; L38-V88 HydrophobicContact CB-CG2 3.9Å; L38-V88 HydrophobicContact CD1-CG2 4.04Å; L38-V88 HydrophobicContact CG-CG2 4.33Å; L38-V88 PolarHBondContact N-O 3.12Å; L38-V88 PolarHBondContact O-N 3.07Å; L38-V88 VanDerWaalsContact O-N 3.13Å; W53-V88 HydrophobicContact CB-CG2 4.38Å; W53-V88 VanDerWaalsContact CD1-CG1 3.43Å; W53-V88 HydrophobicContact CD2-CG2 4.02Å; W53-V88 HydrophobicContact CG-CG1 4.22Å; W53-V88 HydrophobicContact CG-CG2 3.77Å; I60-V88 HydrophobicContact CD1-CG2 4.46Å; V61-V88 HydrophobicContact CB-CG1 4.31Å; V61-V88 HydrophobicContact CG2-CG1 3.96Å; F63-V88 HydrophobicContact CZ-CG1 4.18Å; V79-V88 HydrophobicContact CG1-CB 4.08Å; V79-V88 HydrophobicContact CG1-CG1 4.39Å; E80-V88 CarbonylContact O-C 3.53Å; E80-V88 WeakPolarHBondContact O-CA 3.29Å
89R95.8Very high91.1Very high82 Ų8265.1 Ų65.131%0.30933%0.325SS..EExtended strand (participates in β ladder)trans-97.5116.2168.7-177.6-177-65.4170.2-2.4109.3D35 L36 I37 V79 E80 L82 K91D35-R89 HydrophobicContact CB-CG 4.25Å; L36-R89 CarbonylContact O-C 3.58Å; L36-R89 WeakPolarHBondContact O-CA 3Å; I37-R89 HydrophobicContact CG1-CB 4.24Å; I37-R89 HydrophobicContact CG1-CG 4.21Å; V79-R89 WeakPolarHBondContact CA-O 3.3Å; E80-R89 HydrophobicContact CB-CB 4.26Å; E80-R89 PolarHBondContact N-O 3.26Å; E80-R89 PolarHBondContact O-N 2.79Å; E80-R89 IonicContact OE2-NH1 2.99Å; L82-R89 HydrophobicContact CD1-CB 4.41Å; L82-R89 HydrophobicContact CD2-CB 4.2Å; L82-R89 HydrophobicContact CG-CB 4.4Å; R89-K91 HydrophobicContact CG-CG 4.43Å
90L97Very high91.1Very high10 Ų1067.9 Ų67.95%0.05234%0.339CS..EExtended strand (participates in β ladder)trans-83.5129.6167.4-57.4-178.6000108.3D35 L36 L38 I60 V79 L93 Y101D35-L90 CarbonylContact C-O 3.56Å; D35-L90 VanDerWaalsContact CA-O 3.28Å; D35-L90 WeakPolarHBondContact CA-O 3.27Å; D35-L90 WeakPolarHBondContact CB-O 3.4Å; L36-L90 HydrophobicContact CB-CB 4.47Å; L36-L90 HydrophobicContact CD2-CD1 4.48Å; L36-L90 PolarHBondContact N-O 2.63Å; L36-L90 PolarHBondContact O-N 2.8Å; L38-L90 HydrophobicContact CD1-CD1 3.89Å; L38-L90 HydrophobicContact CD1-CG 4.28Å; L38-L90 HydrophobicContact CG-CD1 4.22Å; L38-L90 HydrophobicContact CG-CG 4.47Å; I60-L90 HydrophobicContact CD1-CD2 3.89Å; V79-L90 HydrophobicContact CG1-CD2 4.43Å; V79-L90 HydrophobicContact CG2-CD2 3.77Å; L90-L93 HydrophobicContact CB-CD1 3.67Å; L90-L93 HydrophobicContact CB-CG 4.37Å; L90-L93 WeakPolarHBondContact O-CD1 3.21Å; L90-Y101 HydrophobicContact CD1-CD1 4Å; L90-Y101 HydrophobicContact CD1-CE1 3.44Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.44Å; L90-Y101 HydrophobicContact CD1-CE2 4.21Å; L90-Y101 HydrophobicContact CD2-CE1 4.26Å
91K97.3Very high91.2Very high69 Ų6965 Ų6530%0.333%0.325SS..  trans-105.1141.5-175-62.2-174.7176.8-179.10112.6D35 R78 E80 R89 L93D35-K91 WeakPolarHBondContact OD1-CA 3.07Å; R78-K91 PolarHBondContact O-N 3.36Å; E80-K91 WeakPolarHBondContact OE2-CE 3.33Å; E80-K91 IonicContact OE2-NZ 2.76Å; E80-K91 PolarHBondContact OE2-NZ 3.31Å; R89-K91 HydrophobicContact CG-CG 4.43Å; K91-L93 PolarHBondContact O-N 2.82Å
92N96.8Very high91.3Very high87 Ų8763.6 Ų63.647%0.46532%0.317SS..SBendtrans48.961.6172.3-178.736.2000111.9G33 D35 R78 Q94G33-N92 WeakPolarHBondContact CA-OD1 3.47Å; D35-N92 PolarHBondContact OD1-N 2.89Å; R78-N92 PolarHBondContact NH2-O 2.95Å; R78-N92 VanDerWaalsContact NH2-O 3.17Å; N92-Q94 PolarHBondContact O-NE2 3.08Å; N92-Q94 PolarHBondContact OD1-NE2 3.41Å
93L97.2Very high91.5Very high2 Ų262.1 Ų62.11%0.0131%0.309CS..  trans-65.9136.3-175.2-82.779000111.2V30 G33 D34 L36 L90 K91 V118 V120V30-L93 HydrophobicContact CB-CD2 4.34Å; V30-L93 HydrophobicContact CG1-CB 4.49Å; V30-L93 HydrophobicContact CG1-CD2 4.28Å; V30-L93 HydrophobicContact CG2-CD2 4.28Å; G33-L93 PolarHBondContact N-O 3.24Å; D34-L93 VanDerWaalsContact O-CD1 3.25Å; D34-L93 WeakPolarHBondContact O-CD1 3.36Å; D34-L93 PolarHBondContact O-N 2.83Å; L36-L93 HydrophobicContact CB-CD1 3.89Å; L36-L93 HydrophobicContact CB-CD2 3.94Å; L36-L93 HydrophobicContact CD2-CD2 4.22Å; L90-L93 HydrophobicContact CB-CD1 3.67Å; L90-L93 HydrophobicContact CB-CG 4.37Å; L90-L93 WeakPolarHBondContact O-CD1 3.21Å; K91-L93 PolarHBondContact O-N 2.82Å; L93-V118 HydrophobicContact CD2-CG1 3.94Å; L93-V120 HydrophobicContact CB-CG1 4.29Å; L93-V120 HydrophobicContact CB-CG2 3.91Å; L93-V120 HydrophobicContact CD2-CG2 3.86Å; L93-V120 HydrophobicContact CG-CG2 4.46Å
94Q96.6Very high92.4Very high70 Ų7055.1 Ų55.133%0.32727%0.271SS..  trans-112.8163.1175.4-56.5-56.4-49.900109.9N92 S96 D97 V120N92-Q94 PolarHBondContact O-NE2 3.08Å; N92-Q94 PolarHBondContact OD1-NE2 3.41Å; Q94-S96 PolarHBondContact O-N 3.27Å; Q94-S96 VanDerWaalsContact O-N 3.09Å; Q94-D97 WeakPolarHBondContact CB-OD2 3.46Å; Q94-D97 PolarHBondContact N-OD2 2.75Å; Q94-D97 WeakPolarHBondContact O-CA 3.25Å; Q94-D97 WeakPolarHBondContact O-CB 3.25Å; Q94-D97 PolarHBondContact O-N 2.93Å; Q94-V120 WeakPolarHBondContact O-CG2 3.44Å
95K95.3Very high93.5Very high116 Ų11647.6 Ų47.650%0.50424%0.236SC..G310 helixtrans-53.1-35.3178.5-66.6-176.4-176174.40113.6D97 S98 D122K95-D97 PolarHBondContact O-N 3.22Å; K95-S98 VanDerWaalsContact O-CB 3.27Å; K95-S98 WeakPolarHBondContact O-CB 3.41Å; K95-S98 PolarHBondContact O-N 2.85Å; K95-S98 VanDerWaalsContact O-N 3.09Å; K95-S98 PolarHBondContact O-OG 3.33Å; K95-D122 WeakPolarHBondContact CE-OD1 3.33Å; K95-D122 WeakPolarHBondContact CE-OD2 3.23Å; K95-D122 IonicContact NZ-OD1 2.6Å; K95-D122 IonicContact NZ-OD2 3.86Å; K95-D122 PolarHBondContact NZ-OD2 2.87Å
96S94.8Very high93.8Very high92 Ų9242.6 Ų42.664%0.64322%0.219SC*.G310 helixtrans-67.4-17177.156.80000114.4Q94 S98Q94-S96 PolarHBondContact O-N 3.27Å; Q94-S96 VanDerWaalsContact O-N 3.09Å; S96-S98 VanDerWaalsContact C-N 3.26Å
97D95.4Very high93.2Very high20 Ų2039.6 Ų39.611%0.10721%0.212CC..G310 helixtrans-87.72.3175.1-49.4-53.4000111.3R78 Q94 K95 Y101R78-D97 IonicContact CZ-OD1 3.66Å; R78-D97 IonicContact CZ-OD2 3.52Å; R78-D97 IonicContact NH1-OD1 2.94Å; R78-D97 PolarHBondContact NH1-OD1 2.73Å; R78-D97 IonicContact NH1-OD2 3.5Å; R78-D97 PolarHBondContact NH1-OD2 3.44Å; R78-D97 IonicContact NH2-OD1 2.97Å; R78-D97 IonicContact NH2-OD2 2.77Å; R78-D97 PolarHBondContact NH2-OD2 2.92Å; Q94-D97 WeakPolarHBondContact CB-OD2 3.46Å; Q94-D97 PolarHBondContact N-OD2 2.75Å; Q94-D97 WeakPolarHBondContact O-CA 3.25Å; Q94-D97 WeakPolarHBondContact O-CB 3.25Å; Q94-D97 PolarHBondContact O-N 2.93Å; K95-D97 PolarHBondContact O-N 3.22Å; D97-Y101 WeakPolarHBondContact O-CE2 3.49Å; D97-Y101 PolarHBondContact O-OH 3.23Å
98S96.3Very high92.3Very high41 Ų4146.1 Ų46.129%0.28725%0.254SS..  trans-67.7139170.6-52.60000110.5K95 S96 V118 V120K95-S98 VanDerWaalsContact O-CB 3.27Å; K95-S98 WeakPolarHBondContact O-CB 3.41Å; K95-S98 PolarHBondContact O-N 2.85Å; K95-S98 VanDerWaalsContact O-N 3.09Å; K95-S98 PolarHBondContact O-OG 3.33Å; S96-S98 VanDerWaalsContact C-N 3.26Å; S98-V118 CarbonylContact C-O 3.58Å; S98-V118 WeakPolarHBondContact CA-O 3.36Å; S98-V118 WeakPolarHBondContact CB-O 3.43Å; S98-V120 PolarHBondContact OG-N 2.87Å
99G95.9Very high91.4Very high19 Ų1952.3 Ų52.320%0.19629%0.286CS..EExtended strand (participates in β ladder)trans147.6-166.2178.100000112.5V118G99-V118 PolarHBondContact N-O 3.16Å; G99-V118 PolarHBondContact O-N 2.85Å
100I95.4Very high90.7Very high73 Ų7352.8 Ų52.837%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-88.4121.4-174-60.3179.9000109.9T56 Q115 Y116T56-I100 PolarHBondContact N-O 2.84Å; T56-I100 VanDerWaalsContact N-O 3.13Å; I100-Q115 HydrophobicContact CG2-CG 3.37Å; I100-Y116 WeakPolarHBondContact CA-O 3.49Å
101Y95.6Very high90.2Very high9 Ų955.6 Ų55.64%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-105.7125.7168.9-68.9-96.4000109.7L38 Q54 F55 I60 L90 D97 Q115 Y116 V118L38-Y101 HydrophobicContact CD1-CD1 3.7Å; L38-Y101 HydrophobicContact CD1-CG 3.8Å; Q54-Y101 CarbonylContact O-C 3.57Å; Q54-Y101 VanDerWaalsContact O-CA 3.25Å; Q54-Y101 WeakPolarHBondContact O-CA 3.42Å; F55-Y101 HydrophobicContact CB-CD1 3.94Å; F55-Y101 HydrophobicContact CB-CE1 3.69Å; F55-Y101 AromaticContact CD2-CD1 3.92Å; F55-Y101 HydrophobicContact CD2-CD1 3.92Å; F55-Y101 AromaticContact CD2-CD2 3.87Å; F55-Y101 HydrophobicContact CD2-CD2 3.87Å; F55-Y101 AromaticContact CD2-CE1 3.5Å; F55-Y101 HydrophobicContact CD2-CE1 3.5Å; F55-Y101 AromaticContact CD2-CE2 3.46Å; F55-Y101 HydrophobicContact CD2-CE2 3.46Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.46Å; F55-Y101 HydrophobicContact CD2-CG 4.1Å; F55-Y101 AromaticContact CD2-CZ 3.26Å; F55-Y101 HydrophobicContact CE2-CD2 4.28Å; F55-Y101 HydrophobicContact CE2-CE1 4.34Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.65Å; F55-Y101 HydrophobicContact CG-CD1 4.32Å; F55-Y101 AromaticContact CG-CE1 3.78Å; F55-Y101 HydrophobicContact CG-CE1 3.78Å; F55-Y101 HydrophobicContact CG-CE2 4.49Å; F55-Y101 AromaticContact CG-CZ 3.89Å; I60-Y101 HydrophobicContact CD1-CD1 4.12Å; I60-Y101 HydrophobicContact CD1-CE1 4.24Å; L90-Y101 HydrophobicContact CD1-CD1 4Å; L90-Y101 HydrophobicContact CD1-CE1 3.44Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.44Å; L90-Y101 HydrophobicContact CD1-CE2 4.21Å; L90-Y101 HydrophobicContact CD2-CE1 4.26Å; D97-Y101 WeakPolarHBondContact O-CE2 3.49Å; D97-Y101 PolarHBondContact O-OH 3.23Å; Y101-Q115 CarbonylContact O-C 3.54Å; Y101-Q115 WeakPolarHBondContact O-CA 3.28Å; Y101-Y116 PolarHBondContact N-O 3.48Å; Y101-Y116 PolarHBondContact O-N 3.36Å; Y101-V118 HydrophobicContact CD2-CB 3.88Å; Y101-V118 HydrophobicContact CD2-CG2 3.48Å; Y101-V118 VanDerWaalsContact CD2-CG2 3.48Å; Y101-V118 HydrophobicContact CE2-CB 3.84Å; Y101-V118 HydrophobicContact CE2-CG1 4.41Å; Y101-V118 HydrophobicContact CE2-CG2 3.85Å; Y101-V118 HydrophobicContact CG-CG2 4.43Å
102T93.9Very high89.8Confident5 Ų556 Ų563%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-125.7130.1-175.6-45.90000109.9W53 Q54 K104 E112 T114W53-T102 CarbonylContact C-O 3.6Å; Q54-T102 PolarHBondContact N-O 3.37Å; Q54-T102 PolarHBondContact O-N 3.17Å; T102-K104 HydrophobicContact CG2-CD 4.38Å; T102-K104 HydrophobicContact CG2-CG 3.75Å; T102-E112 HydrophobicContact CG2-CB 4.12Å; T102-E112 HydrophobicContact CG2-CG 4.07Å; T102-T114 WeakPolarHBondContact CA-O 3.33Å
103A92.3Very high89.4Confident4 Ų452.5 Ų52.53%0.03330%0.296CS..EExtended strand (participates in β ladder)trans-86.7123.5163.400000108.4L40 S52 W53 L113 T114L40-A103 HydrophobicContact CD1-CB 3.7Å; S52-A103 CarbonylContact O-C 3.48Å; S52-A103 WeakPolarHBondContact O-CA 3.44Å; W53-A103 HydrophobicContact CD2-CB 4.07Å; W53-A103 HydrophobicContact CE3-CB 3.92Å; W53-A103 HydrophobicContact CH2-CB 3.82Å; W53-A103 HydrophobicContact CZ2-CB 3.97Å; W53-A103 HydrophobicContact CZ3-CB 3.8Å; A103-L113 HydrophobicContact CB-CB 4.24Å; A103-L113 PolarHBondContact O-N 2.7Å; A103-T114 HydrophobicContact CB-CG2 3.69Å; A103-T114 PolarHBondContact N-O 2.95Å
104K90.7Very high89Confident24 Ų2452.9 Ų52.910%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-123.5142.5178.5-61.4-163.4-180-161.30110.7W51 S52 T102 T111 E112W51-K104 CarbonylContact C-O 3.58Å; W51-K104 WeakPolarHBondContact CA-O 3.25Å; W51-K104 VanDerWaalsContact CB-O 3.29Å; W51-K104 WeakPolarHBondContact CB-O 3.4Å; S52-K104 PolarHBondContact N-O 3.14Å; S52-K104 PolarHBondContact O-N 2.88Å; T102-K104 HydrophobicContact CG2-CD 4.38Å; T102-K104 HydrophobicContact CG2-CG 3.75Å; K104-T111 WeakPolarHBondContact CA-O 3.41Å; K104-E112 HydrophobicContact CD-CG 4.27Å; K104-E112 WeakPolarHBondContact CE-OE1 3.49Å; K104-E112 HydrophobicContact CG-CG 4.27Å; K104-E112 IonicContact NZ-OE1 2.7Å; K104-E112 PolarHBondContact NZ-OE1 2.99Å
105V90.1Very high88.9Confident1 Ų150.9 Ų50.91%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-102.6132.3165.569.10000108.9A48 V50 W51 T107 T111 L113A48-V105 HydrophobicContact CB-CG2 3.29Å; V50-V105 WeakPolarHBondContact O-CG2 3.22Å; W51-V105 HydrophobicContact CB-CB 4.4Å; W51-V105 HydrophobicContact CB-CG2 4.35Å; V105-T107 HydrophobicContact CG1-CG2 4.35Å; V105-T107 HydrophobicContact CG2-CG2 4.05Å; V105-T111 HydrophobicContact CG1-CG2 4.47Å; V105-T111 PolarHBondContact N-O 3.02Å; V105-T111 PolarHBondContact O-N 3Å; V105-L113 HydrophobicContact CB-CD1 4.22Å; V105-L113 HydrophobicContact CB-CD2 4.39Å; V105-L113 HydrophobicContact CB-CG 4.33Å; V105-L113 HydrophobicContact CG1-CD2 3.99Å; V105-L113 HydrophobicContact CG1-CG 4.33Å
106T82.4Confident88.8Confident59 Ų5946.4 Ų46.436%0.36227%0.27SS..EExtended strand (participates in β ladder)trans-97.598175.8-63.50000107.9V50 D110V50-T106 PolarHBondContact O-N 2.99Å; T106-D110 WeakPolarHBondContact CA-OD1 3.28Å; T106-D110 WeakPolarHBondContact CB-OD1 3.26Å; T106-D110 WeakPolarHBondContact CG2-OD1 3.35Å; T106-D110 PolarHBondContact OG1-OD1 3.14Å
107T72.9Confident88.9Confident43 Ų4344.5 Ų44.526%0.26425%0.252SS..SBendtrans-106.2-169.5163.369.70000107V105 I109V105-T107 HydrophobicContact CG1-CG2 4.35Å; V105-T107 HydrophobicContact CG2-CG2 4.05Å; T107-I109 PolarHBondContact O-N 3.02Å; T107-I109 PolarHBondContact OG1-O 2.83Å
108P72.2Confident89Confident142 Ų14243.5 Ų43.592%0.92225%0.247SC*.SBendtrans-51.6-20.2175.6-2735.5000114.2
109I75.8Confident89Confident131 Ų13143.5 Ų43.567%0.67225%0.245SC*.SBendtrans-129.8123.5169.9-58.1172.2000107.9T107 T111T107-I109 PolarHBondContact O-N 3.02Å; T107-I109 PolarHBondContact OG1-O 2.83Å; I109-T111 PolarHBondContact O-N 2.78Å; I109-T111 PolarHBondContact O-OG1 3.43Å
110D80.5Confident89Confident92 Ų9243 Ų4349%0.49224%0.239SC..EExtended strand (participates in β ladder)trans-57.6123.6175.2-81.6-16.4000110.4T106T106-D110 WeakPolarHBondContact CA-OD1 3.28Å; T106-D110 WeakPolarHBondContact CB-OD1 3.26Å; T106-D110 WeakPolarHBondContact CG2-OD1 3.35Å; T106-D110 PolarHBondContact OG1-OD1 3.14Å
111T86.8Confident89Confident69 Ų6940.8 Ų40.842%0.42323%0.227SC..EExtended strand (participates in β ladder)trans-117.1131.1-178.8-55.60000109.9K104 V105 I109K104-T111 WeakPolarHBondContact CA-O 3.41Å; V105-T111 HydrophobicContact CG1-CG2 4.47Å; V105-T111 PolarHBondContact N-O 3.02Å; V105-T111 PolarHBondContact O-N 3Å; I109-T111 PolarHBondContact O-N 2.78Å; I109-T111 PolarHBondContact O-OG1 3.43Å
112E88.4Confident88.9Confident77 Ų7743.6 Ų43.636%0.3624%0.242SC..EExtended strand (participates in β ladder)trans-84.2125178-53-161.8160.800110.5T102 K104 Q115T102-E112 HydrophobicContact CG2-CB 4.12Å; T102-E112 HydrophobicContact CG2-CG 4.07Å; K104-E112 HydrophobicContact CD-CG 4.27Å; K104-E112 WeakPolarHBondContact CE-OE1 3.49Å; K104-E112 HydrophobicContact CG-CG 4.27Å; K104-E112 IonicContact NZ-OE1 2.7Å; K104-E112 PolarHBondContact NZ-OE1 2.99Å; E112-Q115 PolarHBondContact OE2-NE2 2.98Å
113L88.2Confident88.8Confident13 Ų1346.5 Ų46.57%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-92.1-40.3-178-61.9-179.8000112.5L40 T42 I44 A103 V105L40-L113 HydrophobicContact CD1-CB 4.05Å; L40-L113 HydrophobicContact CD1-CD1 4.07Å; L40-L113 HydrophobicContact CD2-CD1 4.5Å; T42-L113 HydrophobicContact CG2-CD2 4.37Å; T42-L113 PolarHBondContact OG1-O 3.21Å; I44-L113 HydrophobicContact CG1-CD1 4.21Å; A103-L113 HydrophobicContact CB-CB 4.24Å; A103-L113 PolarHBondContact O-N 2.7Å; V105-L113 HydrophobicContact CB-CD1 4.22Å; V105-L113 HydrophobicContact CB-CD2 4.39Å; V105-L113 HydrophobicContact CB-CG 4.33Å; V105-L113 HydrophobicContact CG1-CD2 3.99Å; V105-L113 HydrophobicContact CG1-CG 4.33Å
114T90.3Very high88.8Confident11 Ų1147.2 Ų47.27%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-160.6154.6176.6-174.90000110.2L40 W53 T102 A103 Y116L40-T114 HydrophobicContact CD1-CG2 3.9Å; W53-T114 HydrophobicContact CH2-CG2 3.68Å; W53-T114 HydrophobicContact CZ2-CG2 4.45Å; W53-T114 HydrophobicContact CZ3-CG2 4.26Å; T102-T114 WeakPolarHBondContact CA-O 3.33Å; A103-T114 HydrophobicContact CB-CG2 3.69Å; A103-T114 PolarHBondContact N-O 2.95Å; T114-Y116 HydrophobicContact CG2-CD2 4.47Å; T114-Y116 HydrophobicContact CG2-CE2 3.92Å
115Q93.3Very high88.8Confident28 Ų2847.5 Ų47.513%0.13127%0.27CS..EExtended strand (participates in β ladder)trans-136.6132.4-179.4-164.2177.2106.800110.4V25 T26 I100 Y101 E112V25-Q115 HydrophobicContact CG1-CB 4.42Å; V25-Q115 HydrophobicContact CG1-CG 4.09Å; V25-Q115 HydrophobicContact CG2-CB 4.38Å; V25-Q115 HydrophobicContact CG2-CG 4.33Å; T26-Q115 PolarHBondContact N-O 2.84Å; I100-Q115 HydrophobicContact CG2-CG 3.37Å; Y101-Q115 CarbonylContact O-C 3.54Å; Y101-Q115 WeakPolarHBondContact O-CA 3.28Å; E112-Q115 PolarHBondContact OE2-NE2 2.98Å
116Y94.8Very high88.9Confident22 Ų2250.5 Ų50.59%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-116.9126.6175.4-68.8-93.5000109.4T26 V28 L38 N39 W53 I100 Y101 T114T26-Y116 HydrophobicContact CG2-CD1 4.05Å; T26-Y116 HydrophobicContact CG2-CE1 4.04Å; T26-Y116 CarbonylContact O-C 3.48Å; T26-Y116 VanDerWaalsContact O-CA 3.28Å; T26-Y116 WeakPolarHBondContact O-CA 3.42Å; V28-Y116 HydrophobicContact CG2-CD1 3.64Å; V28-Y116 HydrophobicContact CG2-CE1 4.22Å; L38-Y116 HydrophobicContact CD2-CD1 4.26Å; L38-Y116 HydrophobicContact CD2-CD2 4.01Å; L38-Y116 HydrophobicContact CD2-CG 3.84Å; N39-Y116 PolarHBondContact O-OH 3.5Å; W53-Y116 AromaticContact CH2-CD2 3.96Å; W53-Y116 HydrophobicContact CH2-CD2 3.96Å; W53-Y116 AromaticContact CH2-CE2 3.72Å; W53-Y116 HydrophobicContact CH2-CE2 3.72Å; W53-Y116 AromaticContact CZ3-CD2 3.96Å; W53-Y116 HydrophobicContact CZ3-CD2 3.96Å; W53-Y116 HydrophobicContact CZ3-CE2 4.21Å; I100-Y116 WeakPolarHBondContact CA-O 3.49Å; Y101-Y116 PolarHBondContact N-O 3.48Å; Y101-Y116 PolarHBondContact O-N 3.36Å; T114-Y116 HydrophobicContact CG2-CD2 4.47Å; T114-Y116 HydrophobicContact CG2-CE2 3.92Å
117N95.8Very high89.5Confident51 Ų5148.4 Ų48.427%0.27328%0.277SS..EExtended strand (participates in β ladder)trans-95.397.8168.3178.327000108.4V25 T26 D27 V28V25-N117 HydrophobicContact CG1-CB 3.61Å; T26-N117 PolarHBondContact O-N 2.85Å; D27-N117 WeakPolarHBondContact CA-O 3.48Å; D27-N117 WeakPolarHBondContact OD1-CB 3.3Å; D27-N117 PolarHBondContact OD1-ND2 3.22Å; V28-N117 PolarHBondContact N-O 3.37Å
118V96.9Very high90.4Very high0 Ų052.3 Ų52.30%029%0.292CS..EExtended strand (participates in β ladder)trans-90.2124.7-174.5179.40000109.3V28 V30 L36 L38 L93 S98 G99 Y101 V120V28-V118 CarbonylContact O-C 3.59Å; V28-V118 WeakPolarHBondContact O-CA 3.37Å; V30-V118 HydrophobicContact CG2-CG1 4.18Å; L36-V118 HydrophobicContact CD2-CB 4.37Å; L36-V118 HydrophobicContact CD2-CG1 3.82Å; L36-V118 HydrophobicContact CD2-CG2 3.55Å; L38-V118 HydrophobicContact CD2-CG2 4.39Å; L93-V118 HydrophobicContact CD2-CG1 3.94Å; S98-V118 CarbonylContact C-O 3.58Å; S98-V118 WeakPolarHBondContact CA-O 3.36Å; S98-V118 WeakPolarHBondContact CB-O 3.43Å; G99-V118 PolarHBondContact N-O 3.16Å; G99-V118 PolarHBondContact O-N 2.85Å; Y101-V118 HydrophobicContact CD2-CB 3.88Å; Y101-V118 HydrophobicContact CD2-CG2 3.48Å; Y101-V118 VanDerWaalsContact CD2-CG2 3.48Å; Y101-V118 HydrophobicContact CE2-CB 3.84Å; Y101-V118 HydrophobicContact CE2-CG1 4.41Å; Y101-V118 HydrophobicContact CE2-CG2 3.85Å; Y101-V118 HydrophobicContact CG-CG2 4.43Å; V118-V120 HydrophobicContact CG1-CG2 4.19Å
119T96.3Very high91.4Very high41 Ų4145.9 Ų45.925%0.25225%0.25SC..EExtended strand (participates in β ladder)trans-116.7114.2173.3-58.40000109.6V28 F29 V30 Q121V28-T119 PolarHBondContact O-N 2.91Å; F29-T119 WeakPolarHBondContact CA-O 3.45Å; F29-T119 HydrophobicContact CD1-CG2 4.05Å; F29-T119 HydrophobicContact CE1-CG2 4.12Å; V30-T119 PolarHBondContact N-O 2.8Å; T119-Q121 HydrophobicContact CG2-CG 3.94Å
120V96.6Very high92.1Very high9 Ų941.8 Ų41.86%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-92.3123.3177.5-173.60000109.5V30 L93 Q94 S98 V118V30-V120 CarbonylContact O-C 3.5Å; V30-V120 VanDerWaalsContact O-CA 3.29Å; V30-V120 WeakPolarHBondContact O-CA 3.26Å; L93-V120 HydrophobicContact CB-CG1 4.29Å; L93-V120 HydrophobicContact CB-CG2 3.91Å; L93-V120 HydrophobicContact CD2-CG2 3.86Å; L93-V120 HydrophobicContact CG-CG2 4.46Å; Q94-V120 WeakPolarHBondContact O-CG2 3.44Å; S98-V120 PolarHBondContact OG-N 2.87Å; V118-V120 HydrophobicContact CG1-CG2 4.19Å
121Q95.1Very high92.5Very high26 Ų2639 Ų3912%0.12121%0.214CC..EExtended strand (participates in β ladder)trans-124.2144.3-175.6-61.9-175-3.100111.4V30 K31 T32 T119 N197 V199V30-Q121 PolarHBondContact O-N 3.07Å; K31-Q121 CarbonylContact C-O 3.56Å; K31-Q121 WeakPolarHBondContact CA-O 3.25Å; T32-Q121 PolarHBondContact N-O 2.77Å; T32-Q121 PolarHBondContact OG1-O 2.68Å; T119-Q121 HydrophobicContact CG2-CG 3.94Å; Q121-N197 PolarHBondContact OE1-ND2 2.88Å; Q121-V199 HydrophobicContact CB-CG1 4.34Å; Q121-V199 HydrophobicContact CB-CG2 3.85Å
122D93.4Very high92.6Very high67 Ų6739.8 Ų39.836%0.35822%0.219SC..PPolyproline II helixtrans-71.6153.4167.9-69.5-14.9000110.3T32 K95 N197T32-D122 VanDerWaalsContact CB-OD1 3.3Å; T32-D122 WeakPolarHBondContact CB-OD1 3.39Å; T32-D122 PolarHBondContact OG1-N 2.85Å; T32-D122 PolarHBondContact OG1-OD1 2.77Å; K95-D122 WeakPolarHBondContact CE-OD1 3.33Å; K95-D122 WeakPolarHBondContact CE-OD2 3.23Å; K95-D122 IonicContact NZ-OD1 2.6Å; K95-D122 IonicContact NZ-OD2 3.86Å; K95-D122 PolarHBondContact NZ-OD2 2.87Å; D122-N197 PolarHBondContact O-ND2 3.45Å
123P92.9Very high92.4Very high67 Ų6737.9 Ų37.944%0.43521%0.214SC..PPolyproline II helixtrans-60.4145.8166.727.5-33.8000110.7S200P123-S200 VanDerWaalsContact CA-OG 3.25Å; P123-S200 WeakPolarHBondContact CA-OG 3.36Å
124V91.8Very high92.1Very high18 Ų1840 Ų4011%0.10923%0.233CC..PPolyproline II helixtrans-64.6143.2174-64.60000110.9H195 N197 S200 N202V124-H195 WeakPolarHBondContact CG2-O 3.38Å; V124-N197 HydrophobicContact CG1-CB 3.81Å; V124-S200 WeakPolarHBondContact CG2-OG 3.44Å; V124-S200 PolarHBondContact N-OG 3.06Å; V124-N202 HydrophobicContact CG2-CB 4.03Å
125S91.1Very high91.4Very high31 Ų3145.1 Ų45.122%0.21726%0.255CS..PPolyproline II helixtrans-67.3154.7174.446.70000111.7T149 H195S125-T149 WeakPolarHBondContact OG-CB 3.43Å; S125-H195 PolarHBondContact O-ND1 2.84Å
126P91.9Very high90.1Very high64 Ų6445.8 Ų45.842%0.41627%0.27SS..PPolyproline II helixtrans-47.2149.9164.9-26.935000114.2D150 N202P126-D150 WeakPolarHBondContact CD-OD2 2.96Å; P126-N202 VanDerWaalsContact CA-ND2 3.26Å; P126-N202 WeakPolarHBondContact CA-ND2 3.03Å
127V93.8Very high88.6Confident15 Ų1551.2 Ų51.29%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-107.1134.6173.7-750000109.8R148 T149 L182 H195V127-R148 CarbonylContact C-O 3.58Å; V127-R148 WeakPolarHBondContact CA-O 3.38Å; V127-T149 HydrophobicContact CG1-CG2 4.16Å; V127-L182 HydrophobicContact CG1-CD1 3.87Å; V127-H195 HydrophobicContact CG1-CB 3.35Å
128E92.6Very high86.8Confident125 Ų12552.7 Ų52.758%0.58433%0.325SS*.EExtended strand (participates in β ladder)trans-105.1125169.8-168.8-172.6172.200108.5T130 C147 R148E128-T130 HydrophobicContact CG-CG2 4.02Å; E128-C147 WeakPolarHBondContact O-CA 3.47Å; E128-R148 PolarHBondContact N-O 2.91Å; E128-R148 PolarHBondContact O-N 2.76Å
129L93Very high85.1Confident6 Ų658 Ų583%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-102.7125.6174.8-172.760.5000108.2F131 A145 C147 I184 I191 C193 E206L129-F131 HydrophobicContact CD2-CE2 3.99Å; L129-F131 HydrophobicContact CD2-CZ 3.89Å; L129-F131 HydrophobicContact CG-CE2 3.84Å; L129-F131 HydrophobicContact CG-CZ 4.06Å; L129-A145 HydrophobicContact CD1-CB 4.48Å; L129-C147 HydrophobicContact CD1-CB 4.15Å; L129-I184 HydrophobicContact CD1-CD1 4.1Å; L129-I191 HydrophobicContact CD1-CG2 4.04Å; L129-I191 HydrophobicContact CD2-CB 4.08Å; L129-I191 HydrophobicContact CD2-CG2 3.99Å; L129-I191 WeakPolarHBondContact CD2-O 3.28Å; L129-C193 HydrophobicContact CD1-CB 4.24Å; L129-E206 HydrophobicContact CD2-CB 4Å; L129-E206 HydrophobicContact CD2-CG 4.21Å
130T91.5Very high83.6Confident45 Ų4557.4 Ų57.428%0.27636%0.36SS..EExtended strand (participates in β ladder)trans-127.7145.1-178.256.30000110.4E128 A145 T146E128-T130 HydrophobicContact CG-CG2 4.02Å; T130-A145 CarbonylContact O-C 3.53Å; T130-A145 WeakPolarHBondContact O-CA 3.41Å; T130-T146 PolarHBondContact N-O 2.87Å; T130-T146 PolarHBondContact O-N 1.98Å; T130-T146 WeakPolarHBondContact OG1-CB 3.45Å; T130-T146 PolarHBondContact OG1-O 3.49Å; T130-T146 VanDerWaalsContact OG1-O 3.06Å
131F88.6Confident82.5Confident33 Ų3357.8 Ų57.815%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-117.8136.2-178.5-65.2-94.7000110.9L129 L143 T144 A145 I191 E206 H211L129-F131 HydrophobicContact CD2-CE2 3.99Å; L129-F131 HydrophobicContact CD2-CZ 3.89Å; L129-F131 HydrophobicContact CG-CE2 3.84Å; L129-F131 HydrophobicContact CG-CZ 4.06Å; F131-L143 HydrophobicContact CB-CD1 4.13Å; F131-L143 HydrophobicContact CD1-CD1 3.66Å; F131-L143 HydrophobicContact CD1-CD2 4.45Å; F131-L143 HydrophobicContact CD1-CG 4.46Å; F131-L143 HydrophobicContact CG-CD1 4.38Å; F131-T144 CarbonylContact C-O 3.59Å; F131-T144 WeakPolarHBondContact CA-O 3.34Å; F131-A145 HydrophobicContact CD1-CB 4.06Å; F131-A145 HydrophobicContact CE1-CB 3.93Å; F131-I191 HydrophobicContact CE1-CB 4.14Å; F131-I191 HydrophobicContact CE1-CG1 3.77Å; F131-I191 HydrophobicContact CZ-CB 3.99Å; F131-I191 HydrophobicContact CZ-CG1 4.13Å; F131-E206 HydrophobicContact CE2-CB 3.62Å; F131-E206 HydrophobicContact CE2-CG 4.39Å; F131-E206 WeakPolarHBondContact CE2-OE2 3.29Å; F131-E206 HydrophobicContact CZ-CB 3.93Å; F131-H211 HydrophobicContact CB-CB 3.85Å; F131-H211 HydrophobicContact CD2-CB 4.14Å; F131-H211 AromaticContact CD2-CD2 3.58Å; F131-H211 AromaticContact CD2-CG 3.63Å; F131-H211 AromaticContact CE2-CD2 3.66Å; F131-H211 AromaticContact CE2-NE2 3.95Å; F131-H211 HydrophobicContact CG-CB 3.95Å; F131-H211 AromaticContact CG-CG 3.97Å
132T88.1Confident81.7Confident87 Ų8759.8 Ų59.853%0.53437%0.372SS..EExtended strand (participates in β ladder)trans-121.9114171.3-52.30000108.7T144T132-T144 PolarHBondContact N-O 3.18Å; T132-T144 PolarHBondContact O-N 2.9Å
133C84.2Confident81.2Confident37 Ų3756.8 Ų56.825%0.2536%0.356CS..EExtended strand (participates in β ladder)trans-101.6124.7177.4-39.60000109.1F135 H211 C212C133-F135 HydrophobicContact CB-CE2 3.83Å; C133-F135 HydrophobicContact CB-CZ 3.87Å; C133-H211 PolarHBondContact SG-O 3.23Å; C133-C212 HydrophobicContact CB-CB 4.05Å; C133-C212 WeakPolarHBondContact CB-SG 3.28Å; C133-C212 VanDerWaalsContact SG-CA 3.56Å; C133-C212 WeakPolarHBondContact SG-CB 3.41Å; C133-C212 CovalentContact SG-SG 2.04Å; C133-C212 PolarHBondContact SG-SG 3.37Å
134A82.6Confident80.9Confident57 Ų5754.3 Ų54.347%0.47134%0.34SS..EExtended strand (participates in β ladder)trans-113.6111.7171.100000109Y141 N142A134-Y141 CarbonylContact O-C 3.57Å; A134-Y141 VanDerWaalsContact O-CA 3.29Å; A134-Y141 WeakPolarHBondContact O-CA 2.91Å; A134-N142 HydrophobicContact CB-CB 4.33Å; A134-N142 PolarHBondContact N-O 3.04Å; A134-N142 PolarHBondContact O-N 3.48Å
135F74.1Confident80.8Confident118 Ų11853.5 Ų53.552%0.51833%0.334SS..EExtended strand (participates in β ladder)trans-88.5126.5-178.3-59.5-82.3000110.7C133 L214C133-F135 HydrophobicContact CB-CE2 3.83Å; C133-F135 HydrophobicContact CB-CZ 3.87Å; F135-L214 HydrophobicContact CD1-CD2 4.42Å
136G67.2Low80.8Confident43 Ų4352.7 Ų52.744%0.44333%0.328SS..  trans-86.9173.6172.800000112.6S138 S140G136-S138 VanDerWaalsContact C-N 3.31Å; G136-S138 PolarHBondContact O-N 2.82Å; G136-S140 WeakPolarHBondContact CA-O 3.37Å; G136-S140 PolarHBondContact N-O 3.09Å
137S62.1Low80.8Confident135 Ų13549.7 Ų49.794%0.94431%0.309SS*.SBendtrans-75.6-12.1-177.150.10000114.8
138S59.1Low80.7Confident82 Ų8253.7 Ų53.757%0.57332%0.322SS*.SBendtrans-131.951-168.266.50000113.6G136 S140G136-S138 VanDerWaalsContact C-N 3.31Å; G136-S138 PolarHBondContact O-N 2.82Å; S138-S140 PolarHBondContact O-N 2.75Å; S138-S140 PolarHBondContact OG-OG 3.4Å
139S60.9Low80.5Confident111 Ų11148 Ų4878%0.77630%0.296SS*.SBendtrans615.8-178.963.20000116.2
140S64Low80Confident29 Ų2953.4 Ų53.420%0.20333%0.325CS..  trans-84138.317143.10000110.7G136 S138 N162G136-S140 WeakPolarHBondContact CA-O 3.37Å; G136-S140 PolarHBondContact N-O 3.09Å; S138-S140 PolarHBondContact O-N 2.75Å; S138-S140 PolarHBondContact OG-OG 3.4Å; S140-N162 WeakPolarHBondContact CA-OD1 3.4Å; S140-N162 WeakPolarHBondContact CB-OD1 3.41Å
141Y73.6Confident79Confident17 Ų1755.6 Ų55.67%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-138.2143.116774.8-80.8000110.7A134 L143 N162 Q163 C212 L214A134-Y141 CarbonylContact O-C 3.57Å; A134-Y141 VanDerWaalsContact O-CA 3.29Å; A134-Y141 WeakPolarHBondContact O-CA 2.91Å; Y141-L143 HydrophobicContact CD2-CB 4.15Å; Y141-L143 HydrophobicContact CE2-CB 3.9Å; Y141-N162 PolarHBondContact N-OD1 2.82Å; Y141-N162 PolarHBondContact O-N 3.33Å; Y141-N162 VanDerWaalsContact O-N 3.1Å; Y141-Q163 HydrophobicContact CE1-CG 3.63Å; Y141-Q163 VanDerWaalsContact OH-CG 3.23Å; Y141-Q163 WeakPolarHBondContact OH-CG 3.48Å; Y141-Q163 PolarHBondContact OH-NE2 2.88Å; Y141-Q163 VanDerWaalsContact OH-NE2 3.13Å; Y141-C212 HydrophobicContact CD2-CB 4.33Å; Y141-C212 HydrophobicContact CE2-CB 3.92Å; Y141-L214 HydrophobicContact CD1-CD1 3.9Å; Y141-L214 HydrophobicContact CD1-CD2 3.92Å; Y141-L214 HydrophobicContact CD1-CG 3.94Å; Y141-L214 HydrophobicContact CE1-CD1 3.71Å; Y141-L214 HydrophobicContact CE1-CG 4.03Å
142N78.9Confident77.9Confident69 Ų6957.9 Ų57.937%0.36936%0.355SS..EExtended strand (participates in β ladder)trans-99.3125172.4-69.1-10.2000108.3A134 W160 E161A134-N142 HydrophobicContact CB-CB 4.33Å; A134-N142 PolarHBondContact N-O 3.04Å; A134-N142 PolarHBondContact O-N 3.48Å; N142-W160 CarbonylContact C-O 3.56Å; N142-W160 VanDerWaalsContact CA-O 3.3Å; N142-W160 WeakPolarHBondContact CA-O 3.23Å; N142-E161 WeakPolarHBondContact OD1-CG 3.46Å
143L82.3Confident77Confident3 Ų358 Ų582%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-111.1127176.6167.463000109.3F131 Y141 R159 W160 I208 C212F131-L143 HydrophobicContact CB-CD1 4.13Å; F131-L143 HydrophobicContact CD1-CD1 3.66Å; F131-L143 HydrophobicContact CD1-CD2 4.45Å; F131-L143 HydrophobicContact CD1-CG 4.46Å; F131-L143 HydrophobicContact CG-CD1 4.38Å; Y141-L143 HydrophobicContact CD2-CB 4.15Å; Y141-L143 HydrophobicContact CE2-CB 3.9Å; L143-R159 CarbonylContact O-C 3.56Å; L143-R159 WeakPolarHBondContact O-CA 3.4Å; L143-W160 HydrophobicContact CB-CB 4.16Å; L143-W160 PolarHBondContact N-O 2.94Å; L143-W160 PolarHBondContact O-N 3Å; L143-I208 HydrophobicContact CD2-CG1 4.36Å; L143-I208 HydrophobicContact CD2-CG2 3.56Å; L143-C212 WeakPolarHBondContact CD1-SG 2.79Å
144T87.6Confident76.7Confident16 Ų1657.6 Ų57.610%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-115.3117.2170.8-55.10000108.8F131 T132 M158 R159F131-T144 CarbonylContact C-O 3.59Å; F131-T144 WeakPolarHBondContact CA-O 3.34Å; T132-T144 PolarHBondContact N-O 3.18Å; T132-T144 PolarHBondContact O-N 2.9Å; T144-M158 CarbonylContact C-O 3.54Å; T144-M158 WeakPolarHBondContact CA-O 3.44Å; T144-R159 HydrophobicContact CG2-CG 3.84Å
145A90Very high76.9Confident0 Ų057.1 Ų57.10%035%0.348CS..EExtended strand (participates in β ladder)trans-94.8126.3168.400000108.5L129 T130 F131 T157 M158 I184 I191L129-A145 HydrophobicContact CD1-CB 4.48Å; T130-A145 CarbonylContact O-C 3.53Å; T130-A145 WeakPolarHBondContact O-CA 3.41Å; F131-A145 HydrophobicContact CD1-CB 4.06Å; F131-A145 HydrophobicContact CE1-CB 3.93Å; A145-T157 CarbonylContact O-C 3.57Å; A145-T157 WeakPolarHBondContact O-CA 3.44Å; A145-M158 PolarHBondContact N-O 2.82Å; A145-M158 PolarHBondContact O-N 2.83Å; A145-I184 HydrophobicContact CB-CD1 4.08Å; A145-I191 HydrophobicContact CB-CG1 4.28Å; A145-I191 HydrophobicContact CB-CG2 4.09Å
146T91.3Very high77.5Confident15 Ų1552 Ų529%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-119.5119.3179.4-57.20000108.3T130 R148 T157T130-T146 PolarHBondContact N-O 2.87Å; T130-T146 PolarHBondContact O-N 1.98Å; T130-T146 WeakPolarHBondContact OG1-CB 3.45Å; T130-T146 PolarHBondContact OG1-O 3.49Å; T130-T146 VanDerWaalsContact OG1-O 3.06Å; T146-R148 HydrophobicContact CG2-CG 3.78Å; T146-T157 HydrophobicContact CG2-CG2 3.8Å
147C91.9Very high78.5Confident0 Ų052.5 Ų52.50%032%0.32CS..EExtended strand (participates in β ladder)trans-99.8130.3169.6-177.10000110.4E128 L129 S155 I156 I184 C193E128-C147 WeakPolarHBondContact O-CA 3.47Å; L129-C147 HydrophobicContact CD1-CB 4.15Å; C147-S155 CarbonylContact O-C 3.57Å; C147-S155 VanDerWaalsContact O-CA 3.23Å; C147-S155 WeakPolarHBondContact O-CA 3.33Å; C147-S155 WeakPolarHBondContact O-CB 3.43Å; C147-I156 HydrophobicContact CB-CG2 3.94Å; C147-I156 PolarHBondContact N-O 3.02Å; C147-I156 PolarHBondContact O-N 3.06Å; C147-I184 HydrophobicContact CB-CD1 4.1Å; C147-C193 HydrophobicContact CB-CB 3.48Å; C147-C193 VanDerWaalsContact CB-CB 3.48Å; C147-C193 WeakPolarHBondContact CB-SG 3.47Å; C147-C193 WeakPolarHBondContact SG-CB 3.43Å; C147-C193 CovalentContact SG-SG 1.98Å; C147-C193 PolarHBondContact SG-SG 2.96Å
148R91Very high79.6Confident99 Ų9946.3 Ų46.337%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-129.1152.1177.8-47.3-170.590.1100.10.8109.8V127 E128 T146V127-R148 CarbonylContact C-O 3.58Å; V127-R148 WeakPolarHBondContact CA-O 3.38Å; E128-R148 PolarHBondContact N-O 2.91Å; E128-R148 PolarHBondContact O-N 2.76Å; T146-R148 HydrophobicContact CG2-CG 3.78Å
149T89.4Confident80.7Confident6 Ų651.2 Ų51.24%0.03728%0.282CS..EExtended strand (participates in β ladder)trans-99.2164.9167.4660000110S125 V127 D151 S152 I154 L182 H195S125-T149 WeakPolarHBondContact OG-CB 3.43Å; V127-T149 HydrophobicContact CG1-CG2 4.16Å; T149-D151 CarbonylContact O-C 3.56Å; T149-D151 PolarHBondContact O-N 2.85Å; T149-D151 VanDerWaalsContact O-N 3.12Å; T149-D151 PolarHBondContact OG1-O 2.96Å; T149-S152 PolarHBondContact O-N 2.79Å; T149-I154 HydrophobicContact CG2-CB 4.42Å; T149-I154 HydrophobicContact CG2-CG2 4.41Å; T149-I154 PolarHBondContact N-O 2.82Å; T149-L182 HydrophobicContact CG2-CD1 4.1Å; T149-L182 HydrophobicContact CG2-CD2 4.45Å; T149-H195 HydrophobicContact CG2-CB 4.42Å; T149-H195 VanDerWaalsContact CG2-ND1 3.3Å; T149-H195 WeakPolarHBondContact CG2-ND1 3.44Å
150D82.3Confident81.5Confident119 Ų11946.9 Ų46.964%0.63625%0.249SC*.SBendtrans-49.9-38.4175.1-67.2-15000112.9P126 S152P126-D150 WeakPolarHBondContact CD-OD2 2.96Å; D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact O-N 3.07Å
151D70.6Confident81.9Confident91 Ų9150.7 Ų50.749%0.48726%0.264SS..SBendtrans-76.491.2164-171-13.6000108.5T149 S153 I154T149-D151 CarbonylContact O-C 3.56Å; T149-D151 PolarHBondContact O-N 2.85Å; T149-D151 VanDerWaalsContact O-N 3.12Å; T149-D151 PolarHBondContact OG1-O 2.96Å; D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.26Å; D151-S153 PolarHBondContact OD1-N 2.99Å; D151-S153 PolarHBondContact OD1-OG 2.82Å; D151-S153 PolarHBondContact OD2-OG 3.29Å; D151-I154 PolarHBondContact O-N 2.91Å
152S64Low81.4Confident81 Ų8153.7 Ų53.757%0.56628%0.281SS*.THydrogen-bonded Turntrans-54.9-10.2-176.665.80000115.3T149 D150 I154T149-S152 PolarHBondContact O-N 2.79Å; D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact O-N 3.07Å; S152-I154 PolarHBondContact O-N 3.33Å
153S69.8Low80.6Confident90 Ų9056.7 Ų56.763%0.62929%0.293SS*.THydrogen-bonded Turntrans-66.4-21.3172.570.50000113.5D151D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.26Å; D151-S153 PolarHBondContact OD1-N 2.99Å; D151-S153 PolarHBondContact OD1-OG 2.82Å; D151-S153 PolarHBondContact OD2-OG 3.29Å
154I78.4Confident79.4Confident28 Ų2860.8 Ų60.814%0.14432%0.318CS..  trans-107.9106.1177.1-52.8154.9000108.4T149 D151 S152 T176 L182T149-I154 HydrophobicContact CG2-CB 4.42Å; T149-I154 HydrophobicContact CG2-CG2 4.41Å; T149-I154 PolarHBondContact N-O 2.82Å; D151-I154 PolarHBondContact O-N 2.91Å; S152-I154 PolarHBondContact O-N 3.33Å; I154-T176 HydrophobicContact CB-CG2 4.31Å; I154-T176 HydrophobicContact CD1-CG2 3.57Å; I154-T176 HydrophobicContact CG1-CG2 3.75Å; I154-T176 HydrophobicContact CG2-CG2 3.55Å; I154-L182 HydrophobicContact CG2-CB 4.13Å; I154-L182 HydrophobicContact CG2-CD2 3.79Å
155S86.1Confident78Confident47 Ų4761.1 Ų61.133%0.32932%0.321SS..EExtended strand (participates in β ladder)trans-142.5148.9174.962.10000111.8C147C147-S155 CarbonylContact O-C 3.57Å; C147-S155 VanDerWaalsContact O-CA 3.23Å; C147-S155 WeakPolarHBondContact O-CA 3.33Å; C147-S155 WeakPolarHBondContact O-CB 3.43Å
156I87.9Confident76.1Confident11 Ų1166.9 Ų66.96%0.05635%0.351CS..EExtended strand (participates in β ladder)trans-134.3135.4176.8-164.6164.3000109.5C147 R172 L182 I184C147-I156 HydrophobicContact CB-CG2 3.94Å; C147-I156 PolarHBondContact N-O 3.02Å; C147-I156 PolarHBondContact O-N 3.06Å; I156-R172 VanDerWaalsContact CD1-C 3.42Å; I156-R172 HydrophobicContact CD1-CB 3.64Å; I156-R172 HydrophobicContact CD1-CG 3.94Å; I156-R172 WeakPolarHBondContact CD1-O 3.37Å; I156-R172 HydrophobicContact CG1-CB 4.07Å; I156-R172 HydrophobicContact CG1-CG 4.23Å; I156-L182 HydrophobicContact CB-CD2 4.08Å; I156-L182 HydrophobicContact CG2-CD2 3.66Å; I156-L182 HydrophobicContact CG2-CG 3.8Å; I156-I184 HydrophobicContact CB-CG2 4.29Å; I156-I184 HydrophobicContact CD1-CG2 4.01Å; I156-I184 HydrophobicContact CG1-CG2 3.82Å; I156-I184 HydrophobicContact CG2-CB 3.8Å; I156-I184 HydrophobicContact CG2-CG2 3.6Å
157T87.7Confident74.2Confident54 Ų5476 Ų7633%0.33139%0.393SS..EExtended strand (participates in β ladder)trans-119.3137.1-176.859.60000110.9A145 T146 R172A145-T157 CarbonylContact O-C 3.57Å; A145-T157 WeakPolarHBondContact O-CA 3.44Å; T146-T157 HydrophobicContact CG2-CG2 3.8Å; T157-R172 WeakPolarHBondContact O-CD 3.4Å
158M84.7Confident71.8Confident5 Ų585.5 Ų85.53%0.02544%0.438CS..EExtended strand (participates in β ladder)trans-120.3127.8173.2-166.2-179.8-168.400109T144 A145 W160 G169 E170 I184T144-M158 CarbonylContact C-O 3.54Å; T144-M158 WeakPolarHBondContact CA-O 3.44Å; A145-M158 PolarHBondContact N-O 2.82Å; A145-M158 PolarHBondContact O-N 2.83Å; M158-W160 HydrophobicContact CE-CH2 4Å; M158-W160 HydrophobicContact CE-CZ2 3.28Å; M158-W160 HydrophobicContact CG-CZ2 4.49Å; M158-W160 HydrophobicContact SD-CZ2 3.73Å; M158-G169 WeakPolarHBondContact CE-O 3.44Å; M158-E170 WeakPolarHBondContact CE-O 3.4Å; M158-I184 HydrophobicContact CB-CD1 4.04Å; M158-I184 HydrophobicContact CB-CG1 4.42Å; M158-I184 HydrophobicContact CB-CG2 4.21Å
159R83.1Confident70Confident185 Ų18582 Ų8270%0.69843%0.432SS*.EExtended strand (participates in β ladder)trans-115.7139-176.1-66-178.2-180-108.22.8110.4L143 T144L143-R159 CarbonylContact O-C 3.56Å; L143-R159 WeakPolarHBondContact O-CA 3.4Å; T144-R159 HydrophobicContact CG2-CG 3.84Å
160W77.3Confident68.7Low20 Ų2088 Ų888%0.07646%0.46CS..EExtended strand (participates in β ladder)trans-125.8136.7-179.8-59.281.5000109.1N142 L143 M158 C165 K186 I191N142-W160 CarbonylContact C-O 3.56Å; N142-W160 VanDerWaalsContact CA-O 3.3Å; N142-W160 WeakPolarHBondContact CA-O 3.23Å; L143-W160 HydrophobicContact CB-CB 4.16Å; L143-W160 PolarHBondContact N-O 2.94Å; L143-W160 PolarHBondContact O-N 3Å; M158-W160 HydrophobicContact CE-CH2 4Å; M158-W160 HydrophobicContact CE-CZ2 3.28Å; M158-W160 HydrophobicContact CG-CZ2 4.49Å; M158-W160 HydrophobicContact SD-CZ2 3.73Å; W160-C165 HydrophobicContact CE3-CB 3.71Å; W160-C165 HydrophobicContact CH2-CB 3.61Å; W160-C165 WeakPolarHBondContact CH2-SG 3.41Å; W160-C165 WeakPolarHBondContact CZ2-SG 3.1Å; W160-C165 HydrophobicContact CZ3-CB 3.16Å; W160-C165 WeakPolarHBondContact CZ3-SG 3.49Å; W160-K186 HydrophobicContact CH2-CB 3.81Å; W160-K186 HydrophobicContact CH2-CD 3.09Å; W160-K186 HydrophobicContact CH2-CG 4.09Å; W160-K186 HydrophobicContact CZ2-CB 3.72Å; W160-K186 HydrophobicContact CZ2-CD 3.55Å; W160-K186 HydrophobicContact CZ2-CG 4.24Å; W160-K186 HydrophobicContact CZ3-CD 3.68Å; W160-I191 HydrophobicContact CZ2-CD1 4.18Å
161E72.3Confident68.3Low108 Ų10886.5 Ų86.551%0.50545%0.449SS..EExtended strand (participates in β ladder)trans-118.8124.5173.7-179.8163.7-140.100108.2N142 Q163 T164N142-E161 WeakPolarHBondContact OD1-CG 3.46Å; E161-Q163 VanDerWaalsContact C-N 3.34Å; E161-Q163 PolarHBondContact O-N 3.26Å; E161-T164 PolarHBondContact O-N 2.85Å
162N64.1Low68.7Low80 Ų8089 Ų8943%0.42845%0.451SS..THydrogen-bonded Turntrans51.645.6175.4-61.5-22.9000114.8S140 Y141 T164S140-N162 WeakPolarHBondContact CA-OD1 3.4Å; S140-N162 WeakPolarHBondContact CB-OD1 3.41Å; Y141-N162 PolarHBondContact N-OD1 2.82Å; Y141-N162 PolarHBondContact O-N 3.33Å; Y141-N162 VanDerWaalsContact O-N 3.1Å; N162-T164 PolarHBondContact O-N 3.46Å; N162-T164 PolarHBondContact O-OG1 3.47Å
163Q60.8Low69.6Low132 Ų13293.5 Ų93.562%0.61746%0.456SS*.THydrogen-bonded Turntrans57.23-177.8-67.7-178.1-400115.8Y141 E161Y141-Q163 HydrophobicContact CE1-CG 3.63Å; Y141-Q163 VanDerWaalsContact OH-CG 3.23Å; Y141-Q163 WeakPolarHBondContact OH-CG 3.48Å; Y141-Q163 PolarHBondContact OH-NE2 2.88Å; Y141-Q163 VanDerWaalsContact OH-NE2 3.13Å; E161-Q163 VanDerWaalsContact C-N 3.34Å; E161-Q163 PolarHBondContact O-N 3.26Å
164T57.7Low70.2Confident89 Ų8991.6 Ų91.655%0.54644%0.443SS..BIsolated β-bridgetrans-102.1117.8178.5-46.60000106.8E161 N162 N166E161-T164 PolarHBondContact O-N 2.85Å; N162-T164 PolarHBondContact O-N 3.46Å; N162-T164 PolarHBondContact O-OG1 3.47Å; T164-N166 PolarHBondContact O-N 3.18Å
165C57.5Low70.3Confident24 Ų2495.5 Ų95.516%0.16247%0.468CS..PPolyproline II helixtrans-68.9124.3160.9-125.70000105.7W160 Q167 G169W160-C165 HydrophobicContact CE3-CB 3.71Å; W160-C165 HydrophobicContact CH2-CB 3.61Å; W160-C165 WeakPolarHBondContact CH2-SG 3.41Å; W160-C165 WeakPolarHBondContact CZ2-SG 3.1Å; W160-C165 HydrophobicContact CZ3-CB 3.16Å; W160-C165 WeakPolarHBondContact CZ3-SG 3.49Å; C165-Q167 PolarHBondContact O-N 2.77Å; C165-G169 PolarHBondContact SG-O 2.86Å
166N50.8Low69.9Low120 Ų12094.1 Ų94.164%0.64246%0.457SS*.PPolyproline II helixtrans-51.3123158.1-69.2-15.3000105.9T164 E168 G169T164-N166 PolarHBondContact O-N 3.18Å; N166-E168 PolarHBondContact O-N 2.9Å; N166-G169 PolarHBondContact O-N 3.35Å
167Q50Low69.1Low208 Ų208104.2 Ų104.297%0.97250%0.501SS*.THydrogen-bonded Turntrans-60.415-170.4-92.7178.6-3700115C165C165-Q167 PolarHBondContact O-N 2.77Å
168E42.6Very low68.3Low199 Ų199105.9 Ų105.993%0.9352%0.515SS*.THydrogen-bonded Turntrans-112.116.8-179.6-126.3172.9-167.900113.3N166N166-E168 PolarHBondContact O-N 2.9Å
169G52.2Low68Low25 Ų25107.8 Ų107.826%0.25854%0.536SS..  trans-174.969.9175.500000113.9M158 C165 N166 E171M158-G169 WeakPolarHBondContact CE-O 3.44Å; C165-G169 PolarHBondContact SG-O 2.86Å; N166-G169 PolarHBondContact O-N 3.35Å; G169-E171 PolarHBondContact O-N 3.29Å
170E63.6Low68.3Low132 Ų13299.3 Ų99.362%0.61750%0.504SS*.SBendtrans-71.3-9.9166.3-163.8163.6-154.300111.9M158 K186M158-E170 WeakPolarHBondContact CE-O 3.4Å; E170-K186 PolarHBondContact O-N 2.6Å
171E72.8Confident68.9Low88 Ų88100 Ų10041%0.41151%0.513SS..EExtended strand (participates in β ladder)trans-152.3134.7-164.9-176.3176.4165.900110.1G169 R173 H183G169-E171 PolarHBondContact O-N 3.29Å; E171-R173 IonicContact OE1-CZ 3Å; E171-R173 IonicContact OE1-NE 3.94Å; E171-R173 PolarHBondContact OE1-NE 3.28Å; E171-R173 IonicContact OE1-NH2 3.18Å; E171-R173 PolarHBondContact OE1-NH2 3.32Å; E171-R173 IonicContact OE2-NH2 3.94Å; E171-H183 WeakPolarHBondContact CG-CE1 3.37Å; E171-H183 IonicContact OE1-CE1 2.75Å; E171-H183 PolarHBondContact OE1-CE1 2.83Å; E171-H183 IonicContact OE1-ND1 3.74Å; E171-H183 IonicContact OE1-NE2 2.61Å; E171-H183 PolarHBondContact OE1-NE2 2.86Å
172R80.2Confident69.8Low142 Ų14294.9 Ų94.954%0.53649%0.489SS..EExtended strand (participates in β ladder)trans-132.5136.5175.4-138.4-178.4-171930.1110.4I156 T157 H183 I184I156-R172 VanDerWaalsContact CD1-C 3.42Å; I156-R172 HydrophobicContact CD1-CB 3.64Å; I156-R172 HydrophobicContact CD1-CG 3.94Å; I156-R172 WeakPolarHBondContact CD1-O 3.37Å; I156-R172 HydrophobicContact CG1-CB 4.07Å; I156-R172 HydrophobicContact CG1-CG 4.23Å; T157-R172 WeakPolarHBondContact O-CD 3.4Å; R172-H183 PolarHBondContact O-ND1 2.04Å; R172-I184 HydrophobicContact CB-CG2 3.77Å; R172-I184 PolarHBondContact N-O 2.77Å; R172-I184 PolarHBondContact O-N 2.99Å
173R83.1Confident71.1Confident176 Ų17692.3 Ų92.366%0.66447%0.474SS*.EExtended strand (participates in β ladder)trans-125.1143.5-179.5-70172.5-173.5176.13.7109.8E171 L182 H183E171-R173 IonicContact OE1-CZ 3Å; E171-R173 IonicContact OE1-NE 3.94Å; E171-R173 PolarHBondContact OE1-NE 3.28Å; E171-R173 IonicContact OE1-NH2 3.18Å; E171-R173 PolarHBondContact OE1-NH2 3.32Å; E171-R173 IonicContact OE2-NH2 3.94Å; R173-L182 CarbonylContact C-O 3.58Å; R173-L182 WeakPolarHBondContact CA-O 3.34Å; R173-H183 VanDerWaalsContact CG-CE1 3.41Å; R173-H183 WeakPolarHBondContact CG-CE1 3.36Å; R173-H183 WeakPolarHBondContact CG-ND1 3.39Å
174S81.3Confident72.6Confident50 Ų5086 Ų8635%0.3545%0.445SS..EExtended strand (participates in β ladder)trans-137.6136.9169.5-171.10000109.1S181 L182S174-S181 WeakPolarHBondContact O-CA 3.29Å; S174-L182 PolarHBondContact N-O 3.43Å; S174-L182 PolarHBondContact O-N 2.89Å
175V81.6Confident74.1Confident110 Ų11084.6 Ų84.667%0.66743%0.43SS*.EExtended strand (participates in β ladder)trans-107130.3176-178.10000108S180V175-S180 WeakPolarHBondContact CA-O 3.42Å
176T76.3Confident75.4Confident18 Ų1886.6 Ų86.611%0.1144%0.436CS..  trans-84.3163.5-178.469.50000110.8I154 S178 G179 S180I154-T176 HydrophobicContact CB-CG2 4.31Å; I154-T176 HydrophobicContact CD1-CG2 3.57Å; I154-T176 HydrophobicContact CG1-CG2 3.75Å; I154-T176 HydrophobicContact CG2-CG2 3.55Å; T176-S178 PolarHBondContact O-N 3.37Å; T176-S178 PolarHBondContact OG1-N 3.33Å; T176-S178 PolarHBondContact OG1-OG 3.2Å; T176-G179 PolarHBondContact O-N 3.08Å; T176-S180 VanDerWaalsContact CG2-OG 3.26Å; T176-S180 WeakPolarHBondContact CG2-OG 3.33Å; T176-S180 PolarHBondContact N-O 2.86Å; T176-S180 PolarHBondContact OG1-N 3.14Å; T176-S180 PolarHBondContact OG1-O 2.83Å; T176-S180 PolarHBondContact OG1-OG 2.82Å
177K71.6Confident77.1Confident224 Ų22484.4 Ų84.497%0.97442%0.423SS*.THydrogen-bonded Turntrans-61.1-26.4174.8-66.8-178.1-179.9177.50112.9G179K177-G179 PolarHBondContact O-N 3.32Å
178S70.7Confident78.8Confident89 Ų8983 Ų8362%0.62241%0.414SS*.THydrogen-bonded Turntrans-82.21.8175.748.90000113.6T176 S180T176-S178 PolarHBondContact O-N 3.37Å; T176-S178 PolarHBondContact OG1-N 3.33Å; T176-S178 PolarHBondContact OG1-OG 3.2Å; S178-S180 VanDerWaalsContact C-N 3.33Å
179G79.2Confident80.7Confident45 Ų4578.8 Ų78.846%0.46440%0.395SS..SBendtrans78.811.5-179.900000114.5T176 K177T176-G179 PolarHBondContact O-N 3.08Å; K177-G179 PolarHBondContact O-N 3.32Å
180S88.7Confident82.4Confident6 Ų678.4 Ų78.44%0.04239%0.388CS..  trans-81.9153.616968.80000110.7V175 T176 S178 H195 S196V175-S180 WeakPolarHBondContact CA-O 3.42Å; T176-S180 VanDerWaalsContact CG2-OG 3.26Å; T176-S180 WeakPolarHBondContact CG2-OG 3.33Å; T176-S180 PolarHBondContact N-O 2.86Å; T176-S180 PolarHBondContact OG1-N 3.14Å; T176-S180 PolarHBondContact OG1-O 2.83Å; T176-S180 PolarHBondContact OG1-OG 2.82Å; S178-S180 VanDerWaalsContact C-N 3.33Å; S180-H195 WeakPolarHBondContact CB-NE2 3.26Å; S180-H195 PolarHBondContact OG-NE2 3.07Å; S180-S196 CarbonylContact C-O 3.48Å; S180-S196 WeakPolarHBondContact CA-O 3.46Å; S180-S196 WeakPolarHBondContact CB-O 3.28Å
181S90.8Very high83.7Confident36 Ų3672.1 Ų72.125%0.25236%0.359SS..EExtended strand (participates in β ladder)trans-112.1125.6179.4-178.50000109.7S174 H195 S196S174-S181 WeakPolarHBondContact O-CA 3.29Å; S181-H195 CarbonylContact O-C 3.57Å; S181-H195 WeakPolarHBondContact O-CA 3.31Å; S181-S196 PolarHBondContact N-O 3.04Å; S181-S196 PolarHBondContact O-N 3.47Å
182L91.3Very high84.6Confident0 Ų068 Ų680%034%0.339CS..EExtended strand (participates in β ladder)trans-105.4129.6169.8-172.266.4000109.5V127 T149 I154 I156 R173 S174 N194 H195V127-L182 HydrophobicContact CG1-CD1 3.87Å; T149-L182 HydrophobicContact CG2-CD1 4.1Å; T149-L182 HydrophobicContact CG2-CD2 4.45Å; I154-L182 HydrophobicContact CG2-CB 4.13Å; I154-L182 HydrophobicContact CG2-CD2 3.79Å; I156-L182 HydrophobicContact CB-CD2 4.08Å; I156-L182 HydrophobicContact CG2-CD2 3.66Å; I156-L182 HydrophobicContact CG2-CG 3.8Å; R173-L182 CarbonylContact C-O 3.58Å; R173-L182 WeakPolarHBondContact CA-O 3.34Å; S174-L182 PolarHBondContact N-O 3.43Å; S174-L182 PolarHBondContact O-N 2.89Å; L182-N194 CarbonylContact C-O 3.55Å; L182-H195 HydrophobicContact CD1-CB 3.71Å
183H90.9Very high85.3Confident26 Ų2661.2 Ų61.212%0.1231%0.313CS..EExtended strand (participates in β ladder)trans-135.3128.2-167.7-168.943.2000111.9E171 R172 R173 Y185 C193 N194E171-H183 WeakPolarHBondContact CG-CE1 3.37Å; E171-H183 IonicContact OE1-CE1 2.75Å; E171-H183 PolarHBondContact OE1-CE1 2.83Å; E171-H183 IonicContact OE1-ND1 3.74Å; E171-H183 IonicContact OE1-NE2 2.61Å; E171-H183 PolarHBondContact OE1-NE2 2.86Å; R172-H183 PolarHBondContact O-ND1 2.04Å; R173-H183 VanDerWaalsContact CG-CE1 3.41Å; R173-H183 WeakPolarHBondContact CG-CE1 3.36Å; R173-H183 WeakPolarHBondContact CG-ND1 3.39Å; H183-Y185 AromaticContact CD2-CD1 3.28Å; H183-Y185 WeakPolarHBondContact CD2-CD1 3.45Å; H183-Y185 AromaticContact CD2-CE1 3.6Å; H183-Y185 AromaticContact NE2-CD1 3.38Å; H183-Y185 WeakPolarHBondContact NE2-CD1 3.35Å; H183-C193 CarbonylContact O-C 3.48Å; H183-C193 VanDerWaalsContact O-CA 3.26Å; H183-C193 WeakPolarHBondContact O-CA 3.39Å; H183-C193 PolarHBondContact O-SG 3.31Å; H183-N194 HydrophobicContact CB-CB 4.22Å; H183-N194 WeakPolarHBondContact CB-O 3.38Å; H183-N194 PolarHBondContact N-O 3.46Å; H183-N194 PolarHBondContact O-N 3.01Å
184I91.8Very high85.8Confident0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-128.2131.7175.7-168.2171.3000110L129 A145 C147 I156 M158 R172 I191 V192L129-I184 HydrophobicContact CD1-CD1 4.1Å; A145-I184 HydrophobicContact CB-CD1 4.08Å; C147-I184 HydrophobicContact CB-CD1 4.1Å; I156-I184 HydrophobicContact CB-CG2 4.29Å; I156-I184 HydrophobicContact CD1-CG2 4.01Å; I156-I184 HydrophobicContact CG1-CG2 3.82Å; I156-I184 HydrophobicContact CG2-CB 3.8Å; I156-I184 HydrophobicContact CG2-CG2 3.6Å; M158-I184 HydrophobicContact CB-CD1 4.04Å; M158-I184 HydrophobicContact CB-CG1 4.42Å; M158-I184 HydrophobicContact CB-CG2 4.21Å; R172-I184 HydrophobicContact CB-CG2 3.77Å; R172-I184 PolarHBondContact N-O 2.77Å; R172-I184 PolarHBondContact O-N 2.99Å; I184-I191 HydrophobicContact CD1-CG2 4Å; I184-I191 HydrophobicContact CG1-CG2 3.77Å; I184-V192 WeakPolarHBondContact CA-O 3.16Å
185Y88.4Confident86.4Confident58 Ų5850.9 Ų50.923%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-153.4159-179.163.5-81.8000111.5H183 L187 V192H183-Y185 AromaticContact CD2-CD1 3.28Å; H183-Y185 WeakPolarHBondContact CD2-CD1 3.45Å; H183-Y185 AromaticContact CD2-CE1 3.6Å; H183-Y185 AromaticContact NE2-CD1 3.38Å; H183-Y185 WeakPolarHBondContact NE2-CD1 3.35Å; Y185-L187 HydrophobicContact CD2-CB 4.41Å; Y185-L187 HydrophobicContact CE2-CB 4.13Å; Y185-V192 HydrophobicContact CD1-CB 4.21Å; Y185-V192 HydrophobicContact CD2-CB 4.38Å; Y185-V192 HydrophobicContact CE1-CB 3.72Å; Y185-V192 HydrophobicContact CE1-CG1 3.68Å; Y185-V192 HydrophobicContact CE2-CB 3.91Å; Y185-V192 HydrophobicContact CE2-CG1 4.43Å; Y185-V192 HydrophobicContact CE2-CG2 4.05Å; Y185-V192 PolarHBondContact N-O 3.42Å; Y185-V192 PolarHBondContact O-N 3.31Å; Y185-V192 WeakPolarHBondContact OH-CG1 3.08Å
186K86.2Confident87Confident67 Ų6746.6 Ų46.629%0.29124%0.242SC..EExtended strand (participates in β ladder)trans-88.6136.6172.4-179.2169.8179.8-870110.5W160 E170 K188 I191 I208W160-K186 HydrophobicContact CH2-CB 3.81Å; W160-K186 HydrophobicContact CH2-CD 3.09Å; W160-K186 HydrophobicContact CH2-CG 4.09Å; W160-K186 HydrophobicContact CZ2-CB 3.72Å; W160-K186 HydrophobicContact CZ2-CD 3.55Å; W160-K186 HydrophobicContact CZ2-CG 4.24Å; W160-K186 HydrophobicContact CZ3-CD 3.68Å; E170-K186 PolarHBondContact O-N 2.6Å; K186-K188 WeakPolarHBondContact CE-O 3.29Å; K186-K188 WeakPolarHBondContact CG-O 3.43Å; K186-K188 PolarHBondContact NZ-O 2.7Å; K186-I191 HydrophobicContact CB-CD1 3.82Å; K186-I191 HydrophobicContact CG-CD1 4.09Å; K186-I208 HydrophobicContact CD-CD1 4.43Å
187L86.6Confident87.8Confident73 Ų7347 Ų4738%0.38224%0.243SC..EExtended strand (participates in β ladder)trans-131100.9172.3-17564.7000108.9Y185 E189 S190 V192Y185-L187 HydrophobicContact CD2-CB 4.41Å; Y185-L187 HydrophobicContact CE2-CB 4.13Å; L187-E189 PolarHBondContact O-N 2.81Å; L187-S190 CarbonylContact C-O 3.58Å; L187-S190 PolarHBondContact N-O 2.92Å; L187-S190 PolarHBondContact O-N 2.76Å; L187-V192 HydrophobicContact CB-CG2 3.93Å; L187-V192 HydrophobicContact CD2-CG2 4.19Å
188K85.4Confident88.9Confident179 Ų17942.4 Ų42.478%0.77823%0.226SC*.THydrogen-bonded Turntrans59.3-115.4-173.5-55179.4179.6-179.60111.6K186K186-K188 WeakPolarHBondContact CE-O 3.29Å; K186-K188 WeakPolarHBondContact CG-O 3.43Å; K186-K188 PolarHBondContact NZ-O 2.7Å
189E82.7Confident90.1Very high111 Ų11139.9 Ų39.952%0.51921%0.206SC..THydrogen-bonded Turntrans-96.66.5177.7-68.5164.5-169.500112.4L187 N207 I208L187-E189 PolarHBondContact O-N 2.81Å; E189-N207 PolarHBondContact O-OD1 2.79Å; E189-I208 WeakPolarHBondContact O-CG1 3.14Å; E189-I208 PolarHBondContact O-N 2.85Å
190S88.3Confident90.8Very high17 Ų1738.9 Ų38.912%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-114.1153.7179-50.30000111.8L187 K205 E206L187-S190 CarbonylContact C-O 3.58Å; L187-S190 PolarHBondContact N-O 2.92Å; L187-S190 PolarHBondContact O-N 2.76Å; S190-K205 VanDerWaalsContact CB-CE 3.47Å; S190-K205 WeakPolarHBondContact OG-CE 3.16Å; S190-E206 CarbonylContact C-O 3.22Å; S190-E206 WeakPolarHBondContact CA-O 3.38Å; S190-E206 VanDerWaalsContact CB-O 3.29Å; S190-E206 WeakPolarHBondContact CB-O 3.28Å
191I89.8Confident91.1Very high0 Ų047 Ų470%022%0.222CC..EExtended strand (participates in β ladder)trans-101.4135.5163.7-59.2-57.2000107.9L129 F131 A145 W160 I184 K186 K205 E206 I208L129-I191 HydrophobicContact CD1-CG2 4.04Å; L129-I191 HydrophobicContact CD2-CB 4.08Å; L129-I191 HydrophobicContact CD2-CG2 3.99Å; L129-I191 WeakPolarHBondContact CD2-O 3.28Å; F131-I191 HydrophobicContact CE1-CB 4.14Å; F131-I191 HydrophobicContact CE1-CG1 3.77Å; F131-I191 HydrophobicContact CZ-CB 3.99Å; F131-I191 HydrophobicContact CZ-CG1 4.13Å; A145-I191 HydrophobicContact CB-CG1 4.28Å; A145-I191 HydrophobicContact CB-CG2 4.09Å; W160-I191 HydrophobicContact CZ2-CD1 4.18Å; I184-I191 HydrophobicContact CD1-CG2 4Å; I184-I191 HydrophobicContact CG1-CG2 3.77Å; K186-I191 HydrophobicContact CB-CD1 3.82Å; K186-I191 HydrophobicContact CG-CD1 4.09Å; I191-K205 WeakPolarHBondContact O-CA 3.3Å; I191-E206 PolarHBondContact N-O 3.02Å; I191-E206 PolarHBondContact O-N 3.38Å; I191-I208 HydrophobicContact CD1-CD1 4Å; I191-I208 HydrophobicContact CD1-CG1 4.37Å; I191-I208 HydrophobicContact CG1-CD1 4.14Å; I191-I208 HydrophobicContact CG1-CG1 3.94Å
192V92.4Very high91.3Very high0 Ų047.7 Ų47.70%022%0.223CC..EExtended strand (participates in β ladder)trans-112.8131.2174.9-1760000108I184 Y185 L187 E203 S204 K205I184-V192 WeakPolarHBondContact CA-O 3.16Å; Y185-V192 HydrophobicContact CD1-CB 4.21Å; Y185-V192 HydrophobicContact CD2-CB 4.38Å; Y185-V192 HydrophobicContact CE1-CB 3.72Å; Y185-V192 HydrophobicContact CE1-CG1 3.68Å; Y185-V192 HydrophobicContact CE2-CB 3.91Å; Y185-V192 HydrophobicContact CE2-CG1 4.43Å; Y185-V192 HydrophobicContact CE2-CG2 4.05Å; Y185-V192 PolarHBondContact N-O 3.42Å; Y185-V192 PolarHBondContact O-N 3.31Å; Y185-V192 WeakPolarHBondContact OH-CG1 3.08Å; L187-V192 HydrophobicContact CB-CG2 3.93Å; L187-V192 HydrophobicContact CD2-CG2 4.19Å; V192-E203 VanDerWaalsContact CG1-CD 3.46Å; V192-E203 HydrophobicContact CG1-CG 3.6Å; V192-S204 WeakPolarHBondContact CA-O 3.45Å; V192-K205 HydrophobicContact CG2-CB 4.24Å; V192-K205 HydrophobicContact CG2-CD 4.04Å; V192-K205 HydrophobicContact CG2-CG 3.9Å
193C94.1Very high91.5Very high0 Ų052.3 Ų52.30%025%0.245CC..EExtended strand (participates in β ladder)trans-113.6129.9163.4-175.60000110.8L129 C147 H183 E203 S204L129-C193 HydrophobicContact CD1-CB 4.24Å; C147-C193 HydrophobicContact CB-CB 3.48Å; C147-C193 VanDerWaalsContact CB-CB 3.48Å; C147-C193 WeakPolarHBondContact CB-SG 3.47Å; C147-C193 WeakPolarHBondContact SG-CB 3.43Å; C147-C193 CovalentContact SG-SG 1.98Å; C147-C193 PolarHBondContact SG-SG 2.96Å; H183-C193 CarbonylContact O-C 3.48Å; H183-C193 VanDerWaalsContact O-CA 3.26Å; H183-C193 WeakPolarHBondContact O-CA 3.39Å; H183-C193 PolarHBondContact O-SG 3.31Å; C193-E203 CarbonylContact O-C 3.56Å; C193-E203 VanDerWaalsContact O-CA 3.23Å; C193-E203 WeakPolarHBondContact O-CA 3.19Å; C193-E203 WeakPolarHBondContact O-CG 3.05Å; C193-S204 PolarHBondContact N-O 3.47Å; C193-S204 PolarHBondContact O-N 3.38Å
194N94.4Very high91.7Very high4 Ų452.1 Ų52.12%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-124123179.7-170.9-79.1000110.3L182 H183 S196 R201 N202 E203L182-N194 CarbonylContact C-O 3.55Å; H183-N194 HydrophobicContact CB-CB 4.22Å; H183-N194 WeakPolarHBondContact CB-O 3.38Å; H183-N194 PolarHBondContact N-O 3.46Å; H183-N194 PolarHBondContact O-N 3.01Å; N194-S196 PolarHBondContact OD1-OG 3.39Å; N194-R201 VanDerWaalsContact CG-NH1 3.29Å; N194-R201 WeakPolarHBondContact ND2-CD 3.11Å; N194-R201 WeakPolarHBondContact ND2-CG 3.23Å; N194-R201 PolarHBondContact ND2-NH1 2.95Å; N194-R201 PolarHBondContact OD1-NH1 3.42Å; N194-R201 VanDerWaalsContact OD1-NH1 3.07Å; N194-N202 WeakPolarHBondContact CA-O 3.48Å; N194-E203 PolarHBondContact ND2-OE2 3.1Å
195H93.6Very high91.8Very high6 Ų657.5 Ų57.53%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-108.7126.3168.4-175.5-161.7000107.9V124 S125 V127 T149 S180 S181 L182 R201 N202V124-H195 WeakPolarHBondContact CG2-O 3.38Å; S125-H195 PolarHBondContact O-ND1 2.84Å; V127-H195 HydrophobicContact CG1-CB 3.35Å; T149-H195 HydrophobicContact CG2-CB 4.42Å; T149-H195 VanDerWaalsContact CG2-ND1 3.3Å; T149-H195 WeakPolarHBondContact CG2-ND1 3.44Å; S180-H195 WeakPolarHBondContact CB-NE2 3.26Å; S180-H195 PolarHBondContact OG-NE2 3.07Å; S181-H195 CarbonylContact O-C 3.57Å; S181-H195 WeakPolarHBondContact O-CA 3.31Å; L182-H195 HydrophobicContact CD1-CB 3.71Å; H195-R201 CarbonylContact O-C 3.59Å; H195-R201 WeakPolarHBondContact O-CA 3.5Å; H195-N202 PolarHBondContact N-O 2.84Å; H195-N202 PolarHBondContact O-N 3.41Å; H195-N202 VanDerWaalsContact O-O 3.14Å
196S93.4Very high91.9Very high19 Ų1957.3 Ų57.313%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-144.9152-176.155.60000112.6S180 S181 N194 S200S180-S196 CarbonylContact C-O 3.48Å; S180-S196 WeakPolarHBondContact CA-O 3.46Å; S180-S196 WeakPolarHBondContact CB-O 3.28Å; S181-S196 PolarHBondContact N-O 3.04Å; S181-S196 PolarHBondContact O-N 3.47Å; N194-S196 PolarHBondContact OD1-OG 3.39Å; S196-S200 WeakPolarHBondContact CA-O 3.01Å
197N93.6Very high92Very high26 Ų2656 Ų5614%0.13927%0.267CS..  trans-135.2-168.8164.768.64.4000108.6Q121 D122 V124 V199 S200Q121-N197 PolarHBondContact OE1-ND2 2.88Å; D122-N197 PolarHBondContact O-ND2 3.45Å; V124-N197 HydrophobicContact CG1-CB 3.81Å; N197-V199 PolarHBondContact O-N 3.16Å; N197-V199 VanDerWaalsContact OD1-CG2 3.25Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.43Å; N197-V199 PolarHBondContact OD1-N 3.28Å; N197-V199 VanDerWaalsContact OD1-N 3.08Å; N197-S200 PolarHBondContact N-O 2.9Å; N197-S200 PolarHBondContact OD1-N 2.81Å; N197-S200 PolarHBondContact OD1-O 3.37Å; N197-S200 PolarHBondContact OD1-OG 2.82Å
198Q94.6Very high91.8Very high128 Ų12853.5 Ų53.560%0.59825%0.254SS*.SBendtrans-69.4-17.2-174.9-59.5-62.897.200113.4F29F29-Q198 HydrophobicContact CB-CB 3.57Å; F29-Q198 HydrophobicContact CB-CG 4.48Å; F29-Q198 HydrophobicContact CD1-CB 3.62Å; F29-Q198 HydrophobicContact CD1-CG 3.66Å; F29-Q198 HydrophobicContact CD2-CB 3.74Å; F29-Q198 HydrophobicContact CD2-CG 3.85Å; F29-Q198 HydrophobicContact CE1-CB 4.25Å; F29-Q198 HydrophobicContact CE1-CG 3.75Å; F29-Q198 HydrophobicContact CE2-CB 4.35Å; F29-Q198 HydrophobicContact CE2-CG 3.94Å; F29-Q198 HydrophobicContact CG-CB 3.33Å; F29-Q198 HydrophobicContact CG-CG 3.72Å; F29-Q198 HydrophobicContact CZ-CG 3.89Å
199V95Very high91.5Very high36 Ų3650.7 Ų50.722%0.21824%0.244CC..SBendtrans-116.6-12.5-172.4-57.20000113.7F29 K31 Q121 N197F29-V199 HydrophobicContact CB-CG1 3.81Å; K31-V199 HydrophobicContact CB-CB 4.15Å; K31-V199 HydrophobicContact CB-CG2 4.34Å; Q121-V199 HydrophobicContact CB-CG1 4.34Å; Q121-V199 HydrophobicContact CB-CG2 3.85Å; N197-V199 PolarHBondContact O-N 3.16Å; N197-V199 VanDerWaalsContact OD1-CG2 3.25Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.43Å; N197-V199 PolarHBondContact OD1-N 3.28Å; N197-V199 VanDerWaalsContact OD1-N 3.08Å
200S95.3Very high91.4Very high25 Ų2551.5 Ų51.518%0.17525%0.251CS..  trans-160.1159.6-172.165.90000113P123 V124 S196 N197P123-S200 VanDerWaalsContact CA-OG 3.25Å; P123-S200 WeakPolarHBondContact CA-OG 3.36Å; V124-S200 WeakPolarHBondContact CG2-OG 3.44Å; V124-S200 PolarHBondContact N-OG 3.06Å; S196-S200 WeakPolarHBondContact CA-O 3.01Å; N197-S200 PolarHBondContact N-O 2.9Å; N197-S200 PolarHBondContact OD1-N 2.81Å; N197-S200 PolarHBondContact OD1-O 3.37Å; N197-S200 PolarHBondContact OD1-OG 2.82Å
201R94.9Very high90.9Very high175 Ų17554.5 Ų54.566%0.6626%0.264SS*.EExtended strand (participates in β ladder)trans-145.2137.1179.2179-179.7-68.8-103.20.3109.5N194 H195N194-R201 VanDerWaalsContact CG-NH1 3.29Å; N194-R201 WeakPolarHBondContact ND2-CD 3.11Å; N194-R201 WeakPolarHBondContact ND2-CG 3.23Å; N194-R201 PolarHBondContact ND2-NH1 2.95Å; N194-R201 PolarHBondContact OD1-NH1 3.42Å; N194-R201 VanDerWaalsContact OD1-NH1 3.07Å; H195-R201 CarbonylContact O-C 3.59Å; H195-R201 WeakPolarHBondContact O-CA 3.5Å
202N94.7Very high90.2Very high52 Ų5254.9 Ų54.928%0.27827%0.266SS..EExtended strand (participates in β ladder)trans-127.3146170.1-153.4-41000109.7V124 P126 N194 H195V124-N202 HydrophobicContact CG2-CB 4.03Å; P126-N202 VanDerWaalsContact CA-ND2 3.26Å; P126-N202 WeakPolarHBondContact CA-ND2 3.03Å; N194-N202 WeakPolarHBondContact CA-O 3.48Å; H195-N202 PolarHBondContact N-O 2.84Å; H195-N202 PolarHBondContact O-N 3.41Å; H195-N202 VanDerWaalsContact O-O 3.14Å
203E94.9Very high88.8Confident96 Ų9658.9 Ų58.945%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-145.2136.5-174.4-175.6167.8111.100111.2V192 C193 N194V192-E203 VanDerWaalsContact CG1-CD 3.46Å; V192-E203 HydrophobicContact CG1-CG 3.6Å; C193-E203 CarbonylContact O-C 3.56Å; C193-E203 VanDerWaalsContact O-CA 3.23Å; C193-E203 WeakPolarHBondContact O-CA 3.19Å; C193-E203 WeakPolarHBondContact O-CG 3.05Å; N194-E203 PolarHBondContact ND2-OE2 3.1Å
204S94.8Very high87Confident23 Ų2362.9 Ų62.916%0.16131%0.311CS..EExtended strand (participates in β ladder)trans-120.8139.8166.4179.10000109.4V192 C193V192-S204 WeakPolarHBondContact CA-O 3.45Å; C193-S204 PolarHBondContact N-O 3.47Å; C193-S204 PolarHBondContact O-N 3.38Å
205K93.8Very high84.8Confident112 Ų11271.2 Ų71.249%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-137.4124.1-179.5177179.2179.9-1760109.8S190 I191 V192S190-K205 VanDerWaalsContact CB-CE 3.47Å; S190-K205 WeakPolarHBondContact OG-CE 3.16Å; I191-K205 WeakPolarHBondContact O-CA 3.3Å; V192-K205 HydrophobicContact CG2-CB 4.24Å; V192-K205 HydrophobicContact CG2-CD 4.04Å; V192-K205 HydrophobicContact CG2-CG 3.9Å
206E91.8Very high82.8Confident55 Ų5573.8 Ų73.826%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-134.7143.2-178-66.3-176.1-157.100111.2L129 F131 S190 I191 H211L129-E206 HydrophobicContact CD2-CB 4Å; L129-E206 HydrophobicContact CD2-CG 4.21Å; F131-E206 HydrophobicContact CE2-CB 3.62Å; F131-E206 HydrophobicContact CE2-CG 4.39Å; F131-E206 WeakPolarHBondContact CE2-OE2 3.29Å; F131-E206 HydrophobicContact CZ-CB 3.93Å; S190-E206 CarbonylContact C-O 3.22Å; S190-E206 WeakPolarHBondContact CA-O 3.38Å; S190-E206 VanDerWaalsContact CB-O 3.29Å; S190-E206 WeakPolarHBondContact CB-O 3.28Å; I191-E206 PolarHBondContact N-O 3.02Å; I191-E206 PolarHBondContact O-N 3.38Å; E206-H211 IonicContact OE2-CD2 3.56Å; E206-H211 IonicContact OE2-CE1 2.68Å; E206-H211 PolarHBondContact OE2-CE1 3.43Å; E206-H211 IonicContact OE2-NE2 3.57Å; E206-H211 PolarHBondContact OE2-NE2 2.99Å
207N88.8Confident80.8Confident39 Ų3980.7 Ų80.721%0.20941%0.408CS..EExtended strand (participates in β ladder)trans-82.9131.4179.3-172.4-54.6000110.3E189 E209 N210 H211E189-N207 PolarHBondContact O-OD1 2.79Å; N207-E209 VanDerWaalsContact C-N 3.3Å; N207-E209 PolarHBondContact O-N 3.33Å; N207-E209 WeakPolarHBondContact OD1-CB 3.47Å; N207-E209 PolarHBondContact OD1-N 3.42Å; N207-N210 PolarHBondContact O-N 3.13Å; N207-H211 PolarHBondContact O-CD2 3.2Å
208I82.2Confident78.8Confident20 Ų2084 Ų8410%0.10343%0.43CS..G310 helixtrans-59.7-38.8-177.4-63.3167.1000112.1L143 K186 E189 I191 N210 H211 C212L143-I208 HydrophobicContact CD2-CG1 4.36Å; L143-I208 HydrophobicContact CD2-CG2 3.56Å; K186-I208 HydrophobicContact CD-CD1 4.43Å; E189-I208 WeakPolarHBondContact O-CG1 3.14Å; E189-I208 PolarHBondContact O-N 2.85Å; I191-I208 HydrophobicContact CD1-CD1 4Å; I191-I208 HydrophobicContact CD1-CG1 4.37Å; I191-I208 HydrophobicContact CG1-CD1 4.14Å; I191-I208 HydrophobicContact CG1-CG1 3.94Å; I208-N210 PolarHBondContact O-N 2.86Å; I208-H211 PolarHBondContact O-N 3.04Å; I208-H211 VanDerWaalsContact O-N 3.14Å; I208-C212 PolarHBondContact O-N 3.17Å; I208-C212 VanDerWaalsContact O-N 3.08Å
209E77.8Confident77.1Confident120 Ų12088.1 Ų88.156%0.56144%0.441SS*.G310 helixtrans-63.4-29.6-177-62.2-169.8159.100112.7N207 H211 T213N207-E209 VanDerWaalsContact C-N 3.3Å; N207-E209 PolarHBondContact O-N 3.33Å; N207-E209 WeakPolarHBondContact OD1-CB 3.47Å; N207-E209 PolarHBondContact OD1-N 3.42Å; E209-H211 PolarHBondContact O-N 3.02Å; E209-T213 WeakPolarHBondContact O-CG2 3.41Å
210N81.1Confident75.4Confident128 Ų12892.6 Ų92.668%0.68446%0.457SS*.G310 helixtrans-70-19.8179.1-67.7-10.5000112.9N207 I208N207-N210 PolarHBondContact O-N 3.13Å; I208-N210 PolarHBondContact O-N 2.86Å
211H78.3Confident73.9Confident81 Ų8198.2 Ų98.238%0.37548%0.48SS..THydrogen-bonded Turntrans-111.8-34.2-173.7-60.3-77.1000113.3F131 C133 E206 N207 I208 E209F131-H211 HydrophobicContact CB-CB 3.85Å; F131-H211 HydrophobicContact CD2-CB 4.14Å; F131-H211 AromaticContact CD2-CD2 3.58Å; F131-H211 AromaticContact CD2-CG 3.63Å; F131-H211 AromaticContact CE2-CD2 3.66Å; F131-H211 AromaticContact CE2-NE2 3.95Å; F131-H211 HydrophobicContact CG-CB 3.95Å; F131-H211 AromaticContact CG-CG 3.97Å; C133-H211 PolarHBondContact SG-O 3.23Å; E206-H211 IonicContact OE2-CD2 3.56Å; E206-H211 IonicContact OE2-CE1 2.68Å; E206-H211 PolarHBondContact OE2-CE1 3.43Å; E206-H211 IonicContact OE2-NE2 3.57Å; E206-H211 PolarHBondContact OE2-NE2 2.99Å; N207-H211 PolarHBondContact O-CD2 3.2Å; I208-H211 PolarHBondContact O-N 3.04Å; I208-H211 VanDerWaalsContact O-N 3.14Å; E209-H211 PolarHBondContact O-N 3.02Å
212C73.9Confident72.8Confident7 Ų796.6 Ų96.65%0.04748%0.48CS..  trans-121.890.1176.4-52.90000110.7C133 Y141 L143 I208C133-C212 HydrophobicContact CB-CB 4.05Å; C133-C212 WeakPolarHBondContact CB-SG 3.28Å; C133-C212 VanDerWaalsContact SG-CA 3.56Å; C133-C212 WeakPolarHBondContact SG-CB 3.41Å; C133-C212 CovalentContact SG-SG 2.04Å; C133-C212 PolarHBondContact SG-SG 3.37Å; Y141-C212 HydrophobicContact CD2-CB 4.33Å; Y141-C212 HydrophobicContact CE2-CB 3.92Å; L143-C212 WeakPolarHBondContact CD1-SG 2.79Å; I208-C212 PolarHBondContact O-N 3.17Å; I208-C212 VanDerWaalsContact O-N 3.08Å
213T64.2Low72.1Confident84 Ų84100.2 Ų100.252%0.51549%0.49SS..  trans-86117.4169.554.20000110.1E209 H215E209-T213 WeakPolarHBondContact O-CG2 3.41Å; T213-H215 PolarHBondContact O-N 2.7Å; T213-H215 VanDerWaalsContact O-N 3.16Å
214L56.2Low71.5Confident84 Ų84101.6 Ų101.644%0.4449%0.492SS..  trans-68.8107161.7-80.4166.1000107.7F135 Y141 G216F135-L214 HydrophobicContact CD1-CD2 4.42Å; Y141-L214 HydrophobicContact CD1-CD1 3.9Å; Y141-L214 HydrophobicContact CD1-CD2 3.92Å; Y141-L214 HydrophobicContact CD1-CG 3.94Å; Y141-L214 HydrophobicContact CE1-CD1 3.71Å; Y141-L214 HydrophobicContact CE1-CG 4.03Å; L214-G216 PolarHBondContact O-N 3.04Å
215H48.5Very low71Confident180 Ų180105.2 Ų105.283%0.83351%0.509SS*.  trans-70.572.8163.9-90.1-64.3000109.5T213T213-H215 PolarHBondContact O-N 2.7Å; T213-H215 VanDerWaalsContact O-N 3.16Å
216G51.4Low70.8Confident59 Ų59105.7 Ų105.761%0.60852%0.516SS*.  trans-96.794158.100000107.4L214 P218L214-G216 PolarHBondContact O-N 3.04Å; G216-P218 VanDerWaalsContact O-CD 3.28Å; G216-P218 WeakPolarHBondContact O-CD 3.03Å; G216-P218 VanDerWaalsContact O-N 3.12Å
217E50.6Low70.7Confident165 Ų165107.7 Ų107.777%0.77153%0.528SS*.  trans-54121.2167.2-77.3-171.9148.800108.2R219E217-R219 PolarHBondContact O-N 3.26Å
218P51.4Low70.8Confident94 Ų94110 Ų11061%0.6154%0.539SS*.  trans-67.9110.8165.428.8-29.8000105G216 K220G216-P218 VanDerWaalsContact O-CD 3.28Å; G216-P218 WeakPolarHBondContact O-CD 3.03Å; G216-P218 VanDerWaalsContact O-N 3.12Å; P218-K220 HydrophobicContact CB-CG 4.21Å; P218-K220 PolarHBondContact O-N 2.64Å
219R59.4Low71.3Confident216 Ų216114.8 Ų114.882%0.81557%0.565SS**  trans-64.869.2170.9-78.9-176.6175.9167.8-0.3109.9E217 H221E217-R219 PolarHBondContact O-N 3.26Å; R219-H221 PolarHBondContact O-N 2.99Å
220K59.6Low72.1Confident129 Ų129114 Ų11456%0.56156%0.564SS**THydrogen-bonded Turntrans-70.7-2.4168.5-75.3-174.2-176.4-179.40110.5P218 H222 W223 Y224P218-K220 HydrophobicContact CB-CG 4.21Å; P218-K220 PolarHBondContact O-N 2.64Å; K220-H222 VanDerWaalsContact C-N 3.33Å; K220-H222 PolarHBondContact O-N 3.44Å; K220-W223 VanDerWaalsContact C-CD1 3.43Å; K220-W223 PolarHBondContact O-NE1 2.98Å; K220-Y224 VanDerWaalsContact O-CD2 3.23Å; K220-Y224 WeakPolarHBondContact O-CD2 3.27Å
221H62.8Low72.8Confident143 Ų143110.7 Ų110.766%0.66256%0.555SS**Hα-helixtrans-73.5-24.6175.6-69.5-62.2000113.5R219 Y224 L225R219-H221 PolarHBondContact O-N 2.99Å; H221-Y224 PolarHBondContact O-N 3.31Å; H221-L225 WeakPolarHBondContact O-CB 3.23Å; H221-L225 VanDerWaalsContact O-CG 3.3Å; H221-L225 WeakPolarHBondContact O-CG 3.3Å; H221-L225 PolarHBondContact O-N 3.48Å
222H73.3Confident73.6Confident141 Ų141112.6 Ų112.665%0.65356%0.562SS**Hα-helixtrans-66.9-43.6-176.4-120.968.3000112.9K220 L225 L226K220-H222 VanDerWaalsContact C-N 3.33Å; K220-H222 PolarHBondContact O-N 3.44Å; H222-L225 PolarHBondContact O-N 3.44Å; H222-L226 WeakPolarHBondContact O-CB 3.46Å; H222-L226 PolarHBondContact O-N 3Å; H222-L226 VanDerWaalsContact O-N 3.1Å
223W78.6Confident74.6Confident129 Ų129117.1 Ų117.149%0.48959%0.585SS.*Hα-helixtrans-70.3-33.5177.171.7-67.9000112.7K220 L226 L227K220-W223 VanDerWaalsContact C-CD1 3.43Å; K220-W223 PolarHBondContact O-NE1 2.98Å; W223-L226 PolarHBondContact O-N 2.94Å; W223-L227 HydrophobicContact CE3-CD1 4.11Å; W223-L227 HydrophobicContact CZ3-CD1 4.34Å; W223-L227 WeakPolarHBondContact O-CB 3.22Å; W223-L227 PolarHBondContact O-N 3.39Å
224Y82.4Confident76.1Confident124 Ų124118.1 Ų118.149%0.48659%0.587SS.*Hα-helixtrans-65.9-43.1172.5-84.1-69.8000112.4K220 H221 L226 L227 I228K220-Y224 VanDerWaalsContact O-CD2 3.23Å; K220-Y224 WeakPolarHBondContact O-CD2 3.27Å; H221-Y224 PolarHBondContact O-N 3.31Å; Y224-L226 VanDerWaalsContact C-N 3.3Å; Y224-L226 PolarHBondContact O-N 3.43Å; Y224-L227 PolarHBondContact O-N 3.41Å; Y224-I228 VanDerWaalsContact O-CG1 3.27Å; Y224-I228 WeakPolarHBondContact O-CG1 3.49Å; Y224-I228 PolarHBondContact O-N 2.73Å
225L84.7Confident77.9Confident100 Ų100119.7 Ų119.752%0.52459%0.59SS.*Hα-helixtrans-62-39175.8-74.8167.8000111.8H221 H222 I228 L229H221-L225 WeakPolarHBondContact O-CB 3.23Å; H221-L225 VanDerWaalsContact O-CG 3.3Å; H221-L225 WeakPolarHBondContact O-CG 3.3Å; H221-L225 PolarHBondContact O-N 3.48Å; H222-L225 PolarHBondContact O-N 3.44Å; L225-I228 PolarHBondContact O-N 3.01Å; L225-L229 PolarHBondContact O-N 3.43Å
226L88.8Confident80Confident121 Ų121117.7 Ų117.763%0.63458%0.579SS**Hα-helixtrans-67.2-39.8177.7-136.7147.7000111.9H222 W223 Y224 L229 L230H222-L226 WeakPolarHBondContact O-CB 3.46Å; H222-L226 PolarHBondContact O-N 3Å; H222-L226 VanDerWaalsContact O-N 3.1Å; W223-L226 PolarHBondContact O-N 2.94Å; Y224-L226 VanDerWaalsContact C-N 3.3Å; Y224-L226 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.1Å; L226-L230 PolarHBondContact O-N 3.44Å
227L90.1Very high82Confident97 Ų97119.8 Ų119.851%0.50858%0.575SS.*Hα-helixtrans-62.4-43.3172.9-105.2158.9000112.4W223 Y224 L230 A231W223-L227 HydrophobicContact CE3-CD1 4.11Å; W223-L227 HydrophobicContact CZ3-CD1 4.34Å; W223-L227 WeakPolarHBondContact O-CB 3.22Å; W223-L227 PolarHBondContact O-N 3.39Å; Y224-L227 PolarHBondContact O-N 3.41Å; L227-L230 PolarHBondContact O-N 3.4Å; L227-A231 PolarHBondContact O-N 3.38Å
228I91.9Very high84Confident87 Ų87117.4 Ų117.445%0.44656%0.56SS.*Hα-helixtrans-63.4-45.1177.5-69.7165.8000110.4Y224 L225 L230 A231 F232Y224-I228 VanDerWaalsContact O-CG1 3.27Å; Y224-I228 WeakPolarHBondContact O-CG1 3.49Å; Y224-I228 PolarHBondContact O-N 2.73Å; L225-I228 PolarHBondContact O-N 3.01Å; I228-L230 VanDerWaalsContact C-N 3.35Å; I228-L230 PolarHBondContact O-N 3.05Å; I228-A231 PolarHBondContact O-N 3.2Å; I228-F232 HydrophobicContact CG2-CD2 3.72Å; I228-F232 HydrophobicContact CG2-CE2 3.49Å; I228-F232 VanDerWaalsContact CG2-CE2 3.49Å; I228-F232 WeakPolarHBondContact O-CD2 3.43Å; I228-F232 PolarHBondContact O-N 3.04Å; I228-F232 VanDerWaalsContact O-N 3.08Å
229L93Very high85.9Confident121 Ų121115.9 Ų115.963%0.63455%0.546SS*.Hα-helixtrans-59.5-43.3177.1-111.9146.6000112.3L225 L226 F232 L233L225-L229 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.1Å; L229-F232 PolarHBondContact O-N 3.49Å; L229-L233 PolarHBondContact O-N 3.12Å; L229-L233 VanDerWaalsContact O-N 3.13Å
230L94.9Very high87.4Confident103 Ų103107.1 Ų107.154%0.53952%0.523SS..Hα-helixtrans-63-42.3177-173.768000111.9L226 L227 I228 L233 L234L226-L230 PolarHBondContact O-N 3.44Å; L227-L230 PolarHBondContact O-N 3.4Å; I228-L230 VanDerWaalsContact C-N 3.35Å; I228-L230 PolarHBondContact O-N 3.05Å; L230-L233 PolarHBondContact O-N 2.99Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 3.42Å; L230-L234 VanDerWaalsContact O-N 3.12Å
231A95.1Very high88.7Confident60 Ų60108.2 Ų108.250%0.49653%0.525SS..Hα-helixtrans-63-42.2178.400000112.3L227 I228 L233 L234 F235L227-A231 PolarHBondContact O-N 3.38Å; I228-A231 PolarHBondContact O-N 3.2Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 3.48Å; A231-L234 PolarHBondContact O-N 3.08Å; A231-F235 WeakPolarHBondContact O-CB 3.5Å; A231-F235 PolarHBondContact O-N 3.47Å
232F95Very high89.8Confident120 Ų120108.8 Ų108.853%0.52652%0.521SS..Hα-helixtrans-62-41.2174.9-83-66.9000112.2I228 L229 L234 F235 F236I228-F232 HydrophobicContact CG2-CD2 3.72Å; I228-F232 HydrophobicContact CG2-CE2 3.49Å; I228-F232 VanDerWaalsContact CG2-CE2 3.49Å; I228-F232 WeakPolarHBondContact O-CD2 3.43Å; I228-F232 PolarHBondContact O-N 3.04Å; I228-F232 VanDerWaalsContact O-N 3.08Å; L229-F232 PolarHBondContact O-N 3.49Å; F232-L234 PolarHBondContact O-N 3.46Å; F232-F235 WeakPolarHBondContact O-CB 3.09Å; F232-F235 PolarHBondContact O-N 3.25Å; F232-F236 HydrophobicContact CB-CE2 4.49Å; F232-F236 WeakPolarHBondContact O-CD2 3.45Å; F232-F236 PolarHBondContact O-N 3.27Å
233L95.1Very high90.1Very high102 Ų102109.1 Ų109.153%0.53452%0.521SS..Hα-helixtrans-64.2-43-178.9-147.9149.2000111.4L229 L230 A231 F235 F236 I237L229-L233 PolarHBondContact O-N 3.12Å; L229-L233 VanDerWaalsContact O-N 3.13Å; L230-L233 PolarHBondContact O-N 2.99Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 3.48Å; L233-F235 VanDerWaalsContact C-N 3.35Å; L233-F235 PolarHBondContact O-N 3.06Å; L233-F236 PolarHBondContact O-N 3.13Å; L233-I237 HydrophobicContact CD2-CD1 3.7Å; L233-I237 HydrophobicContact CD2-CG1 4.41Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 2.8Å
234L94.9Very high89.9Confident105 Ų105113 Ų11355%0.5554%0.535SS..Hα-helixtrans-63.8-38.2173.7-67.5174.7000112.5L230 A231 F232 I237 Y238L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 3.42Å; L230-L234 VanDerWaalsContact O-N 3.12Å; A231-L234 PolarHBondContact O-N 3.08Å; F232-L234 PolarHBondContact O-N 3.46Å; L234-I237 PolarHBondContact O-N 2.9Å; L234-Y238 WeakPolarHBondContact O-CB 3.4Å; L234-Y238 PolarHBondContact O-N 2.89Å
235F94.8Very high89.3Confident117 Ų117114.2 Ų114.251%0.51354%0.543SS..Hα-helixtrans-63.3-43.4176.3-178.8-104.4000112.2A231 F232 L233 Y238 I239A231-F235 WeakPolarHBondContact O-CB 3.5Å; A231-F235 PolarHBondContact O-N 3.47Å; F232-F235 WeakPolarHBondContact O-CB 3.09Å; F232-F235 PolarHBondContact O-N 3.25Å; L233-F235 VanDerWaalsContact C-N 3.35Å; L233-F235 PolarHBondContact O-N 3.06Å; F235-Y238 WeakPolarHBondContact O-CB 3.47Å; F235-Y238 PolarHBondContact O-N 3.31Å; F235-I239 HydrophobicContact CD1-CD1 3.82Å; F235-I239 HydrophobicContact CE1-CD1 3.28Å; F235-I239 HydrophobicContact CE1-CG1 4.32Å; F235-I239 HydrophobicContact CE2-CD1 4.26Å; F235-I239 HydrophobicContact CZ-CD1 3.54Å; F235-I239 HydrophobicContact CZ-CG1 4.34Å; F235-I239 WeakPolarHBondContact O-CG1 3.33Å; F235-I239 PolarHBondContact O-N 2.92Å
236F92.8Very high88.1Confident139 Ų139117.7 Ų117.761%0.6155%0.554SS**Hα-helixtrans-65.8-39.9175.4-75.7-65.4000112.6F232 L233 Y238 I239 G240F232-F236 HydrophobicContact CB-CE2 4.49Å; F232-F236 WeakPolarHBondContact O-CD2 3.45Å; F232-F236 PolarHBondContact O-N 3.27Å; L233-F236 PolarHBondContact O-N 3.13Å; F236-Y238 VanDerWaalsContact C-N 3.32Å; F236-Y238 PolarHBondContact O-N 3.47Å; F236-I239 PolarHBondContact O-N 3.34Å; F236-G240 PolarHBondContact O-N 2.91Å
237I93.1Very high86.4Confident102 Ų102117.4 Ų117.452%0.52356%0.558SS.*Hα-helixtrans-60-44.1173.2-69.4168.3000110.5L233 L234 G240 Y241L233-I237 HydrophobicContact CD2-CD1 3.7Å; L233-I237 HydrophobicContact CD2-CG1 4.41Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 2.8Å; L234-I237 PolarHBondContact O-N 2.9Å; I237-G240 PolarHBondContact O-N 3.26Å; I237-Y241 WeakPolarHBondContact O-CB 3.47Å; I237-Y241 PolarHBondContact O-N 3.38Å
238Y92.9Very high84.7Confident116 Ų116116.2 Ų116.246%0.45557%0.568SS.*Hα-helixtrans-62.6-44.6178.4-178.3-103.5000112.8L234 F235 F236 G240 Y241 R242L234-Y238 WeakPolarHBondContact O-CB 3.4Å; L234-Y238 PolarHBondContact O-N 2.89Å; F235-Y238 WeakPolarHBondContact O-CB 3.47Å; F235-Y238 PolarHBondContact O-N 3.31Å; F236-Y238 VanDerWaalsContact C-N 3.32Å; F236-Y238 PolarHBondContact O-N 3.47Å; Y238-G240 VanDerWaalsContact C-N 3.33Å; Y238-Y241 PolarHBondContact O-N 3.38Å; Y238-R242 HydrophobicContact CE1-CG 4.12Å; Y238-R242 PolarHBondContact O-N 2.97Å; Y238-R242 PolarHBondContact OH-NE 3.05Å; Y238-R242 PolarHBondContact OH-NH2 3.38Å
239I91.4Very high82.9Confident62 Ų62119 Ų11932%0.31858%0.584SS.*Hα-helixtrans-61.8-43.7174.3-70.4177.4000110.5F235 F236 Y241 R242 K243F235-I239 HydrophobicContact CD1-CD1 3.82Å; F235-I239 HydrophobicContact CE1-CD1 3.28Å; F235-I239 HydrophobicContact CE1-CG1 4.32Å; F235-I239 HydrophobicContact CE2-CD1 4.26Å; F235-I239 HydrophobicContact CZ-CD1 3.54Å; F235-I239 HydrophobicContact CZ-CG1 4.34Å; F235-I239 WeakPolarHBondContact O-CG1 3.33Å; F235-I239 PolarHBondContact O-N 2.92Å; F236-I239 PolarHBondContact O-N 3.34Å; I239-Y241 VanDerWaalsContact C-N 3.35Å; I239-Y241 PolarHBondContact O-N 2.91Å; I239-R242 PolarHBondContact O-N 3.29Å; I239-K243 HydrophobicContact CG2-CD 4.47Å; I239-K243 PolarHBondContact O-N 3.46Å
240G89.5Confident81Confident32 Ų32120.3 Ų120.333%0.3359%0.592SS.*Hα-helixtrans-59.1-44.1176.200000112.5F236 I237 Y238 K243 R244F236-G240 PolarHBondContact O-N 2.91Å; I237-G240 PolarHBondContact O-N 3.26Å; Y238-G240 VanDerWaalsContact C-N 3.33Å; G240-K243 PolarHBondContact O-N 3.03Å; G240-R244 WeakPolarHBondContact O-CG 3.45Å; G240-R244 PolarHBondContact O-N 3.08Å
241Y87.5Confident78.5Confident151 Ų151119.4 Ų119.459%0.59261%0.607SS**Hα-helixtrans-63.3-45.5175.4-179.7-98.1000112.2I237 Y238 I239 K243 R244 K245I237-Y241 WeakPolarHBondContact O-CB 3.47Å; I237-Y241 PolarHBondContact O-N 3.38Å; Y238-Y241 PolarHBondContact O-N 3.38Å; I239-Y241 VanDerWaalsContact C-N 3.35Å; I239-Y241 PolarHBondContact O-N 2.91Å; Y241-K243 VanDerWaalsContact C-N 3.35Å; Y241-K243 PolarHBondContact O-N 3.45Å; Y241-R244 PolarHBondContact O-N 3.06Å; Y241-K245 PolarHBondContact O-N 3.43Å
242R85.3Confident75.8Confident156 Ų156122.6 Ų122.659%0.58962%0.616SS**Hα-helixtrans-61.3-41.2175.6-82.8-164.9169.6-160.40.9112.4Y238 I239 K246Y238-R242 HydrophobicContact CE1-CG 4.12Å; Y238-R242 PolarHBondContact O-N 2.97Å; Y238-R242 PolarHBondContact OH-NE 3.05Å; Y238-R242 PolarHBondContact OH-NH2 3.38Å; I239-R242 PolarHBondContact O-N 3.29Å; R242-K246 WeakPolarHBondContact O-CB 3.49Å; R242-K246 PolarHBondContact O-N 2.93Å; R242-K246 VanDerWaalsContact O-N 3.08Å
243K81.1Confident73.2Confident147 Ų147126.6 Ų126.664%0.63963%0.634SS**Hα-helixtrans-63.3-47175.6-77.8-170.2175.2-1730111.2I239 G240 Y241 K245 K246 T247I239-K243 HydrophobicContact CG2-CD 4.47Å; I239-K243 PolarHBondContact O-N 3.46Å; G240-K243 PolarHBondContact O-N 3.03Å; Y241-K243 VanDerWaalsContact C-N 3.35Å; Y241-K243 PolarHBondContact O-N 3.45Å; K243-K245 PolarHBondContact O-N 3.14Å; K243-K246 PolarHBondContact O-N 3.31Å; K243-K246 VanDerWaalsContact O-N 3.14Å; K243-T247 PolarHBondContact O-N 3.45Å; K243-T247 PolarHBondContact O-OG1 2.87Å; K243-T247 VanDerWaalsContact O-OG1 3.06Å
244R73.6Confident70.6Confident210 Ų210127.8 Ų127.879%0.79264%0.64SS**Hα-helixtrans-61.2-40.6177.2-74.6-174.9179.9-177.30.8113G240 Y241 K246 T247 G248G240-R244 WeakPolarHBondContact O-CG 3.45Å; G240-R244 PolarHBondContact O-N 3.08Å; Y241-R244 PolarHBondContact O-N 3.06Å; R244-K246 VanDerWaalsContact C-N 3.31Å; R244-K246 PolarHBondContact O-N 2.97Å; R244-T247 PolarHBondContact O-N 3.39Å; R244-G248 PolarHBondContact O-N 3.25Å
245K70Confident67.9Low150 Ų150129.1 Ų129.165%0.65265%0.648SS**Hα-helixtrans-63.7-36.3175-173175.3179.3177.50112.2Y241 K243Y241-K245 PolarHBondContact O-N 3.43Å; K243-K245 PolarHBondContact O-N 3.14Å
246K59.2Low65.2Low174 Ų174129.8 Ų129.876%0.75766%0.662SS**Hα-helixtrans-75.6-27179.6-148.9175.5-173.7-175.70113.2R242 K243 R244R242-K246 WeakPolarHBondContact O-CB 3.49Å; R242-K246 PolarHBondContact O-N 2.93Å; R242-K246 VanDerWaalsContact O-N 3.08Å; K243-K246 PolarHBondContact O-N 3.31Å; K243-K246 VanDerWaalsContact O-N 3.14Å; R244-K246 VanDerWaalsContact C-N 3.31Å; R244-K246 PolarHBondContact O-N 2.97Å
247T53.8Low62.4Low115 Ų115129.7 Ų129.771%0.70667%0.666SS**Hα-helixtrans-80.1-19.2174.9-510000113K243 R244K243-T247 PolarHBondContact O-N 3.45Å; K243-T247 PolarHBondContact O-OG1 2.87Å; K243-T247 VanDerWaalsContact O-OG1 3.06Å; R244-T247 PolarHBondContact O-N 3.39Å
248G53.4Low59.5Low71 Ų71136 Ų13673%0.73269%0.685SS**THydrogen-bonded Turntrans-81.5-5.1176.900000115.8R244R244-G248 PolarHBondContact O-N 3.25Å
249D54.7Low56.9Low145 Ų145134.9 Ų134.978%0.77570%0.7SS**SBendtrans-122.34.7-172.2-156.824.9000113.4
250N53.5Low54Low150 Ų150140.2 Ų140.280%0.80273%0.728SS**SBendtrans-142.694.7-179-143.735.8000110.9
251G40.9Very low51.7Low84 Ų84143.7 Ų143.787%0.86675%0.745SS**  trans172.850.3177.300000115.9
252N38.4Very low48.9Very low127 Ų127143.4 Ų143.468%0.67975%0.749SS**  trans-131103.3155.1-17735.9000108
253F42.1Very low46.3Very low203 Ų203147.6 Ų147.689%0.8977%0.765SS**  trans-169.1127.1142.4-107.1-72.4000108.9
254D39.7Very low43.8Very low127 Ų127147.5 Ų147.568%0.67977%0.765SS**  trans-71.1141.8-168.7-66.1-60.2000115.6
255N37.1Very low41.8Very low134 Ų134144.3 Ų144.372%0.71776%0.763SS**  trans20.3134.3133.9-53.5-25.4000121
256T39.4Very low40Very low131 Ų131144.9 Ų144.980%0.80477%0.768SS**  trans-171.3105.5131.115.20000108.4
257I34.4Very low38.7Very low136 Ų136141.1 Ų141.170%0.69776%0.76SS**  56.5107.891.8-62.3173.5000112.7
258Y30.8Very low37.9Very low235 Ų235143.9 Ų143.992%0.92277%0.765SS**  -154120.2111.2-86-73000109.1
259A39.5Very low36.7Very low93 Ų93145.8 Ų145.877%0.76976%0.763SS**  trans-94.8143162.800000108.4
260L30.5Very low35.5Very low173 Ų173143.5 Ų143.591%0.90676%0.758SS**  trans-139.6130.7154.6-155.477.9000108.9
261P40.1Very low34.5Very low106 Ų106145.5 Ų145.569%0.68876%0.759SS**  trans-105.3163.5-16441-35.3000114.6
262E30.3Very low34.3Very low144 Ų144149.1 Ų149.167%0.67375%0.754SS**  trans73.4119.3142.2-143.6170.1-166.600120.4K264E262-K264 IonicContact OE1-NZ 2.78Å; E262-K264 PolarHBondContact OE1-NZ 2.78Å
263R28.9Very low34Very low245 Ų245148.4 Ų148.493%0.92575%0.754SS**  -154.4127.8122.8-170.9177.1-87.9-164.8-5.1111.2
264K29.8Very low33.6Very low144 Ų144142.5 Ų142.563%0.62674%0.743SS**  trans-82151.3173.2-67.6169.7173.2122.60111.5E262E262-K264 IonicContact OE1-NZ 2.78Å; E262-K264 PolarHBondContact OE1-NZ 2.78Å
265D30.6Very low33.3Very low143 Ų143145.4 Ų145.477%0.76575%0.752SS**  -162.4120.7125.7-96.7-23.2000106.4
266Q33Very low33Very low162 Ų162145.1 Ų145.176%0.75775%0.751SS**  56.7124.673.8-79.5-166.9-0.700111.2
267T32.6Very low32.6Very low95 Ų95146.5 Ų146.558%0.58375%0.748SS**  cis-168.1151.721.2-250000110.7
268E36.2Very low32.3Very low174 Ų174144.8 Ų144.881%0.81375%0.748SS**  trans60.7144.2131.5-91.3164.3-158.600121.5
269T29.1Very low32.3Very low111 Ų111139.4 Ų139.468%0.68174%0.744SS**  cis-160.6122.921.5-81.30000106.8
270S29.4Very low31.9Very low97 Ų97140.4 Ų140.468%0.67875%0.745SS**  64.3120.794.9-150.70000117.4
271K31.1Very low32.7Very low191 Ų191137.5 Ų137.583%0.8374%0.737SS**  -167.4113113.2-93.7175.7-175-170.90107.8
272E37.5Very low32.2Very low160 Ų160138 Ų13875%0.74874%0.738SS**  63.8130.588.1-110.8-166.5143.400112.4
273T32.3Very low32.2Very low113 Ų113137.8 Ų137.869%0.69375%0.747SS**  cis-164.1152.618.2-39.70000110.6
274A33.3Very low32.5Very low79 Ų79131.5 Ų131.565%0.65374%0.735SS**  trans66.2121.4147.100000120.5
275E34.2Very low32.6Very low187 Ų187134.7 Ų134.787%0.87475%0.745SS**  63.7137.258.4-68-176-170.200112.1
276D29.3Very low32.8Very low128 Ų128133.3 Ų133.368%0.68475%0.747SS**  cis-170.4167.2-10.3-166.16.5000105.8
277E31.8Very low32.8Very low160 Ų160131.8 Ų131.875%0.74875%0.748SS**  trans74116.3144.1-94.2179.6168.200123.1
278S28.8Very low32.9Very low100 Ų100133.4 Ų133.470%0.69976%0.758SS**  82.9105.2120.5-1620000119.5
279C30.5Very low32.7Very low123 Ų123128.5 Ų128.583%0.83176%0.755SS**  170.3130.7103.4-105.80000110.5
280S30.7Very low33Very low113 Ų113128.4 Ų128.479%0.7976%0.758SS**  trans-67.7167.3158-112.60000110.2
281P47Very low33.1Very low112 Ų112129.8 Ų129.873%0.72777%0.768SS**  cis-144166.832.435.7-12.9000118.2
282T30.1Very low33.4Very low116 Ų116129 Ų12971%0.71277%0.772SS**  trans48.8118.7142.8-50.30000120.2
283T30.5Very low33.2Very low141 Ų141127 Ų12787%0.86578%0.776SS**  -172138118.420.10000113.3
284T34Very low33.4Very low112 Ų112131.9 Ų131.969%0.68779%0.787SS**  trans-61.3138.6172.7-540000112.8
285Y31.9Very low33.4Very low212 Ų212131.6 Ų131.683%0.83179%0.792SS**  178.2130.1114.2-102.2-80.6000109.9
286S35.5Very low33.6Very low114 Ų114127.2 Ų127.280%0.79779%0.788SS**  trans-91140.9172.143.50000110.1
287T33.1Very low33.7Very low129 Ų129127.4 Ų127.479%0.79179%0.794SS**  trans-142.4133.8172.6-9.40000112.4
288V35.4Very low34.1Very low129 Ų129127 Ų12778%0.78280%0.797SS**  trans77.6128.7150.2-161.10000120.8
289G31.8Very low34.3Very low72 Ų72131.5 Ų131.574%0.74281%0.809SS**  trans167.271.3154.800000110.3
290S34.2Very low34.8Very low109 Ų109137.3 Ų137.376%0.76281%0.813SS**  59112.195.7-59.40000115.1
291S33.2Very low34.9Very low125 Ų125135.8 Ų135.887%0.87482%0.815SS**  trans-154.7131.7132.356.20000112.1
292L37Very low34.8Very low176 Ų176137.1 Ų137.192%0.92182%0.817SS**  trans-69146.1172-108.874.3000111.1
293S33.3Very low35.1Very low118 Ų118139.4 Ų139.483%0.82583%0.825SS**  -169.9121.7122.5-174.60000110.5
294K36.1Very low35.5Very low214 Ų214140.9 Ų140.993%0.9382%0.822SS**  trans-121.4123.7162.4-97.8-175.6176.6179.60107.4
295G33.1Very low36.3Very low73 Ų73140.6 Ų140.675%0.75382%0.822SS**  trans-98.4145.4161.400000110.7
296A37.6Very low36.3Very low95 Ų95139 Ų13979%0.78582%0.822SS**  trans-60.4166.6-174.900000114
297T32.9Very low36.4Very low132 Ų132138.6 Ų138.681%0.8182%0.819SS**  -173152.466-41.40000111.8
298N40Very low36.7Very low152 Ų152139.2 Ų139.281%0.81382%0.822SS**  trans-54.7157.5178-70.2-56.8000116.4
299M32.8Very low36.7Very low194 Ų194143.3 Ų143.396%0.95683%0.825SS**  -163.6138.7116.6-90.6-116.4-90.100112.4
300R41.3Very low37Very low245 Ų245144.9 Ų144.993%0.92583%0.825SS**  trans-103136.1-177.6-175.4-176.8-168-1713.3107.6
301G33Very low37.5Very low81 Ų81148.9 Ų148.984%0.83583%0.831SS**  trans-155.9101170.700000109
302N45Very low38.4Very low141 Ų141150.6 Ų150.675%0.75483%0.829SS**  trans-86.1138170.8-173.845000107.3
303D35.7Very low38.6Very low164 Ų164151.8 Ų151.888%0.87783%0.827SS**  trans-169.8120.3147.1-90.3-25000110.8
304Q39.4Very low39.3Very low172 Ų172150.9 Ų150.980%0.80483%0.827SS**  trans-111.8153.7155.2-142.2-177.2-70.800105.1
305P49.5Very low39.9Very low106 Ų106151 Ų15169%0.68885%0.845SS**  -153.7168.780.335.6-13.2000117.2
306E33.2Very low40.3Very low177 Ų177155 Ų15583%0.82785%0.85SS**  trans65.2116141.7-75173.8-177.700123.3
307S36.8Very low40.4Very low106 Ų106158.1 Ų158.174%0.74185%0.853SS**PPolyproline II helixtrans-83.5132.3162.255.40000111.9
308V39.3Very low40.8Very low142 Ų142159.6 Ų159.686%0.86186%0.856SS**PPolyproline II helixtrans-98.8123.61701760000109.7
309Y35.8Very low40.9Very low215 Ų215160 Ų16084%0.84386%0.858SS**PPolyproline II helixtrans-89.3135.6166.7-94.1-92.8000110.1
310S38.8Very low41.4Very low105 Ų105157.9 Ų157.973%0.73485%0.852SS**  trans-129115.4160.561.40000109.8
311Q43.7Very low41.4Very low193 Ų193152.1 Ų152.190%0.90285%0.847SS**PPolyproline II helixtrans-93133.2165.1-88.2-178.8-9.700109.6
312I52Low42Very low161 Ų161157.1 Ų157.183%0.82685%0.848SS**PPolyproline II helixtrans-91.5135.9178.7-69.4168.2000109.3
313K41.9Very low41.8Very low201 Ų201158.4 Ų158.487%0.87486%0.855SS**PPolyproline II helixtrans-67.8136168.8-86.8176.6171.61770110.8
314A48.1Very low42.3Very low100 Ų100157.9 Ų157.983%0.82685%0.853SS**PPolyproline II helixtrans-75.3142.5166.200000111.3
315V49.3Very low42.6Very low217 Ų217156.6 Ų156.6100%1.31586%0.858SS**  trans-113.40155.8174.30000106.2

Retrieved 315 of 315 residues in 77.4 ms (Link to these results)

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