A0A672UHK9_STRHB Loading...

ELAV-like protein

AlphaFold DB , UniProt , Accession A0A672UHK9, Species STRHB (Strigops habroptila, Kakapo), Gene ELAVL1, Length 326 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
1M41.5Very low41.5Very low248 Ų248152.7 Ų152.7100%1.22280%0.804SS**  0107.80-75.7161.9173.600106.4
2S43.4Very low41.5Very low113 Ų113152.3 Ų152.379%0.7980%0.803SS**  trans-72.8147.8-178.9-48.90000111
3N39.8Very low41.3Very low156 Ų156150 Ų15083%0.83480%0.804SS**  trans-175106150.5-97.814.6000104.8
4G39.3Very low41.4Very low64 Ų64153.1 Ų153.166%0.6680%0.799SS**  cis9263.72000000111.1
5Y42.5Very low41.9Very low222 Ų222150.5 Ų150.587%0.87179%0.787SS**  trans-154.176.2157.4-87.5-76000109
6E45.2Very low42.3Very low189 Ų189150.6 Ų150.688%0.88379%0.788SS**  trans-81158.5138.9-75.6177.197.600107
7D37.3Very low42.6Very low129 Ų129150.4 Ų150.469%0.6979%0.786SS**  trans114.2133.7159.7-127.2-44.5000118.8
8H40.7Very low43.4Very low150 Ų150144.5 Ų144.569%0.69477%0.768SS**  trans80.464.1164.5-53.2-62.3000120.4
9M38.6Very low45Very low207 Ų207142.2 Ų142.2100%1.0275%0.747SS**  trans-103.962.8137.7-80.4-94.2-172.600108.3
10A43.6Very low47.2Very low65 Ų65136.9 Ų136.954%0.53772%0.721SS.*  trans-108.8126.3174.900000109.3
11E44.2Very low49.2Very low137 Ų137133.2 Ų133.264%0.6470%0.702SS**  trans82.683.4151.5-60.1-176.711600118.9R14E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NH1 2.7Å; E11-R14 PolarHBondContact OE1-NH1 3.09Å; E11-R14 IonicContact OE1-NH2 3.94Å
12D41.7Very low51.6Low148 Ų148121.4 Ų121.479%0.79164%0.644SS**SBendtrans-137.713.5138.8-137.2-95.6000114.1R14D12-R14 PolarHBondContact O-N 3.01Å
13C39.1Very low53.9Low122 Ų122117.5 Ų117.582%0.82461%0.613SS**  trans-97.629.7-177.4-61.10000114.8
14R42.9Very low56.4Low194 Ų194110 Ų11073%0.73257%0.574SS**  trans-103.423.3-175.5-88.7-172.6-178.6154.98.3116.2E11 D12E11-R14 IonicContact OE1-CZ 3.33Å; E11-R14 IonicContact OE1-NH1 2.7Å; E11-R14 PolarHBondContact OE1-NH1 3.09Å; E11-R14 IonicContact OE1-NH2 3.94Å; D12-R14 PolarHBondContact O-N 3.01Å
15D48Very low58.8Low114 Ų114109 Ų10961%0.6155%0.553SS**SBendtrans-1299.1176.6-114.3-70.7000114.6I17 R19D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.26Å; D15-R19 PolarHBondContact O-NE 3.06Å; D15-R19 PolarHBondContact O-NH2 2.81Å; D15-R19 IonicContact OD1-CZ 2.81Å; D15-R19 IonicContact OD1-NH2 3.16Å; D15-R19 PolarHBondContact OD1-NH2 2.83Å
16D48.6Very low61Low151 Ų151103.8 Ų103.881%0.80753%0.533SS*.  trans-89.926.6176.7-113.6-75.9000112.9G18D16-G18 PolarHBondContact O-N 3.4Å
17I47.2Very low63.1Low148 Ų14894.8 Ų94.876%0.75949%0.49SS*.SBendtrans-76.792174.7-56.7169.9000107.6D15 R19D15-I17 VanDerWaalsContact C-N 3.25Å; D15-I17 PolarHBondContact O-N 3.26Å; I17-R19 PolarHBondContact O-N 3Å
18G57.5Low65.5Low44 Ų4488.8 Ų88.845%0.45446%0.459SS..  trans43.452.9152.700000115.7D16 T20D16-G18 PolarHBondContact O-N 3.4Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.21Å
19R73.4Confident67.5Low101 Ų10188.2 Ų88.238%0.38146%0.456SS..  trans-7286.2178.8-63.1-178.7-175.1154.2-3.7109.7D15 I17 A74 Y95D15-R19 PolarHBondContact O-NE 3.06Å; D15-R19 PolarHBondContact O-NH2 2.81Å; D15-R19 IonicContact OD1-CZ 2.81Å; D15-R19 IonicContact OD1-NH2 3.16Å; D15-R19 PolarHBondContact OD1-NH2 2.83Å; I17-R19 PolarHBondContact O-N 3Å; R19-A74 WeakPolarHBondContact O-CB 3.42Å; R19-Y95 HydrophobicContact CB-CD1 3.35Å; R19-Y95 HydrophobicContact CB-CE1 3.74Å; R19-Y95 HydrophobicContact CB-CG 3.99Å; R19-Y95 HydrophobicContact CG-CD1 4.4Å; R19-Y95 WeakPolarHBondContact O-CD1 3.31Å; R19-Y95 VanDerWaalsContact O-CE1 3.23Å; R19-Y95 WeakPolarHBondContact O-CE1 3.1Å
20T88.6Confident69.8Low36 Ų3683.3 Ų83.322%0.22143%0.434CS..  trans-80.7-21.2176450000113.1G18 N67 Y68 A71G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 3.21Å; T20-N67 WeakPolarHBondContact CB-OD1 3.29Å; T20-N67 PolarHBondContact O-OD1 3.43Å; T20-N67 PolarHBondContact OG1-OD1 3.44Å; T20-Y68 WeakPolarHBondContact CB-O 3.43Å; T20-Y68 WeakPolarHBondContact CG2-O 3.03Å; T20-Y68 PolarHBondContact O-N 3.16Å; T20-A71 HydrophobicContact CG2-CB 4.19Å
21N90.6Very high71.9Confident60 Ų6080.8 Ų80.832%0.32141%0.411SS..EExtended strand (participates in β ladder)trans-89.9128.4-176.3-166.2-2.7000110.6V66 N67 A96N21-V66 CarbonylContact C-O 3.51Å; N21-N67 VanDerWaalsContact CA-OD1 3.23Å; N21-N67 WeakPolarHBondContact CA-OD1 3.41Å; N21-N67 WeakPolarHBondContact CB-OD1 3.28Å; N21-N67 PolarHBondContact N-OD1 2.93Å; N21-N67 VanDerWaalsContact N-OD1 3.07Å; N21-A96 HydrophobicContact CB-CB 3.93Å; N21-A96 VanDerWaalsContact CG-CB 3.44Å; N21-A96 WeakPolarHBondContact O-CB 3.33Å; N21-A96 PolarHBondContact O-N 2.77Å; N21-A96 WeakPolarHBondContact OD1-CB 3.24Å
22L91.8Very high74.1Confident0 Ų076.6 Ų76.60%040%0.395CS..EExtended strand (participates in β ladder)trans-118.9142.3-179.6-56.7-172.2000110.2F40 F65 V66 Y68 A74 A77 I78 V93 S94 Y95L22-F40 HydrophobicContact CD1-CE1 4.24Å; L22-F65 CarbonylContact O-C 3.5Å; L22-F65 VanDerWaalsContact O-CA 3.23Å; L22-F65 WeakPolarHBondContact O-CA 3.49Å; L22-V66 WeakPolarHBondContact CB-O 3.38Å; L22-V66 PolarHBondContact N-O 2.93Å; L22-V66 PolarHBondContact O-N 3.42Å; L22-Y68 HydrophobicContact CD1-CD2 4.02Å; L22-Y68 HydrophobicContact CD1-CE2 3.67Å; L22-Y68 HydrophobicContact CG-CD2 4.39Å; L22-Y68 HydrophobicContact CG-CE2 4.48Å; L22-A74 HydrophobicContact CD1-CB 4.3Å; L22-A74 HydrophobicContact CD2-CB 3.98Å; L22-A74 HydrophobicContact CG-CB 4.14Å; L22-A77 HydrophobicContact CD1-CB 3.85Å; L22-I78 HydrophobicContact CD1-CG1 4.12Å; L22-I78 HydrophobicContact CD2-CD1 3.58Å; L22-I78 HydrophobicContact CD2-CG1 3.74Å; L22-V93 HydrophobicContact CB-CG1 4.35Å; L22-V93 HydrophobicContact CD1-CG1 3.85Å; L22-S94 CarbonylContact C-O 3.55Å; L22-S94 WeakPolarHBondContact CA-O 3.44Å; L22-Y95 HydrophobicContact CD2-CD1 3.62Å; L22-Y95 HydrophobicContact CD2-CE1 4Å; L22-Y95 HydrophobicContact CD2-CG 4.42Å
23I91.2Very high76.4Confident30 Ų3073.4 Ų73.415%0.15438%0.376CS..EExtended strand (participates in β ladder)trans-104131.6166.6-172.1173.8000109Y63 F65 S94 A96I23-Y63 HydrophobicContact CD1-CD2 4.37Å; I23-F65 HydrophobicContact CB-CD1 4.02Å; I23-F65 HydrophobicContact CB-CE1 3.89Å; I23-F65 HydrophobicContact CD1-CE1 3.76Å; I23-F65 HydrophobicContact CD1-CZ 3.91Å; I23-F65 HydrophobicContact CG1-CD1 4.16Å; I23-F65 HydrophobicContact CG1-CE1 3.79Å; I23-F65 HydrophobicContact CG1-CZ 4.23Å; I23-S94 WeakPolarHBondContact CG2-O 3.5Å; I23-S94 VanDerWaalsContact CG2-OG 3.32Å; I23-S94 WeakPolarHBondContact CG2-OG 3.44Å; I23-S94 PolarHBondContact N-O 3.32Å; I23-S94 PolarHBondContact O-N 3.4Å; I23-S94 VanDerWaalsContact O-N 3.09Å; I23-A96 HydrophobicContact CB-CB 4.2Å
24V92.3Very high78.8Confident0 Ų072.9 Ų72.90%037%0.365CS..EExtended strand (participates in β ladder)trans-112.7110.1179.1-167.50000107.9L27 L36 F40 Y63 G64 V66 I91 K92 V93V24-L27 HydrophobicContact CB-CD1 4.31Å; V24-L27 HydrophobicContact CB-CD2 4.36Å; V24-L27 HydrophobicContact CB-CG 4.42Å; V24-L27 HydrophobicContact CG1-CD1 4.28Å; V24-L27 HydrophobicContact CG1-CD2 3.46Å; V24-L27 VanDerWaalsContact CG1-CD2 3.46Å; V24-L27 HydrophobicContact CG1-CG 3.95Å; V24-L36 HydrophobicContact CB-CD1 4.46Å; V24-L36 HydrophobicContact CG1-CD1 4.43Å; V24-L36 HydrophobicContact CG2-CD1 4.36Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE2 4.22Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-F40 HydrophobicContact CG2-CE1 3.84Å; V24-F40 HydrophobicContact CG2-CE2 3.79Å; V24-F40 HydrophobicContact CG2-CZ 3.25Å; V24-Y63 CarbonylContact O-C 3.57Å; V24-Y63 WeakPolarHBondContact O-CA 3.18Å; V24-Y63 VanDerWaalsContact O-CB 3.3Å; V24-Y63 WeakPolarHBondContact O-CB 3.41Å; V24-G64 PolarHBondContact N-O 3.45Å; V24-G64 PolarHBondContact O-N 3.36Å; V24-V66 HydrophobicContact CG2-CG2 4.04Å; V24-I91 HydrophobicContact CG1-CB 4.32Å; V24-I91 HydrophobicContact CG1-CD1 4.39Å; V24-K92 CarbonylContact C-O 3.52Å; V24-K92 WeakPolarHBondContact CA-O 3.22Å; V24-V93 HydrophobicContact CG1-CG2 4.23Å
25N90.4Very high81.2Confident42 Ų4268.4 Ų68.423%0.22535%0.352CS..EExtended strand (participates in β ladder)trans-100.4160.1179.7-66.1-74.3000111.2L27 I91 K92N25-L27 VanDerWaalsContact C-N 3.31Å; N25-L27 PolarHBondContact O-N 3.12Å; N25-I91 WeakPolarHBondContact O-CA 3.4Å; N25-K92 HydrophobicContact CB-CB 4.34Å; N25-K92 PolarHBondContact N-O 3.48Å; N25-K92 PolarHBondContact O-N 3.17Å
26Y88.8Confident83.3Confident112 Ų11263 Ų6344%0.43932%0.323SS..SBendtrans64.232.5178.4-46.8-73.1000114G62 K89 T90 K92Y26-G62 PolarHBondContact N-O 3.22Å; Y26-K89 VanDerWaalsContact O-CB 3.29Å; Y26-K89 WeakPolarHBondContact O-CB 3.26Å; Y26-K89 WeakPolarHBondContact O-CD 3.16Å; Y26-T90 WeakPolarHBondContact CB-O 3.34Å; Y26-K92 HydrophobicContact CD2-CB 3.69Å; Y26-K92 HydrophobicContact CE2-CB 3.86Å; Y26-K92 HydrophobicContact CE2-CD 4.24Å
27L89.3Confident85.5Confident0 Ų062.3 Ų62.30%031%0.309CS..  trans-65.1145.5171.8-64.5178.7000111.1V24 N25 M31 L36 L51 G62 K89 I91V24-L27 HydrophobicContact CB-CD1 4.31Å; V24-L27 HydrophobicContact CB-CD2 4.36Å; V24-L27 HydrophobicContact CB-CG 4.42Å; V24-L27 HydrophobicContact CG1-CD1 4.28Å; V24-L27 HydrophobicContact CG1-CD2 3.46Å; V24-L27 VanDerWaalsContact CG1-CD2 3.46Å; V24-L27 HydrophobicContact CG1-CG 3.95Å; N25-L27 VanDerWaalsContact C-N 3.31Å; N25-L27 PolarHBondContact O-N 3.12Å; L27-M31 HydrophobicContact CB-SD 4.43Å; L27-M31 HydrophobicContact CD2-SD 3.71Å; L27-M31 HydrophobicContact CG-SD 4.47Å; L27-L36 HydrophobicContact CD1-CD1 3.89Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 4.15Å; L27-L51 HydrophobicContact CD1-CD1 3.55Å; L27-G62 PolarHBondContact N-O 2.9Å; L27-K89 PolarHBondContact O-NZ 3.3Å; L27-I91 HydrophobicContact CD2-CB 4.46Å; L27-I91 HydrophobicContact CD2-CG2 3.85Å
28P86.4Confident87.6Confident4 Ų459.1 Ų59.13%0.02630%0.3CS..  trans-64.2147.1172.711-7.1000110.9N30 M31 L86 Q87P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.49Å; P28-N30 PolarHBondContact O-N 3.45Å; P28-M31 HydrophobicContact CB-CB 4.47Å; P28-M31 HydrophobicContact CG-CB 3.97Å; P28-M31 HydrophobicContact CG-SD 4.29Å; P28-M31 VanDerWaalsContact O-CB 3.31Å; P28-M31 WeakPolarHBondContact O-CB 3.5Å; P28-M31 PolarHBondContact O-N 2.98Å; P28-M31 VanDerWaalsContact O-N 3.17Å; P28-L86 HydrophobicContact CG-CB 4.04Å; P28-Q87 VanDerWaalsContact CB-OE1 3.28Å
29Q84.2Confident89.3Confident138 Ų13858.9 Ų58.965%0.64529%0.288SS*.THydrogen-bonded Turntrans-70.4-26.7-174.2-76-168.34.800113.3M31Q29-M31 VanDerWaalsContact C-N 3.3Å
30N85.5Confident90.2Very high103 Ų10354.1 Ų54.155%0.55127%0.27SS*.THydrogen-bonded Turntrans-82.5-7.2175.262.3-6.3000113P28 T32 Q87P28-N30 VanDerWaalsContact C-N 3.29Å; P28-N30 WeakPolarHBondContact CB-OD1 3.49Å; P28-N30 PolarHBondContact O-N 3.45Å; N30-T32 PolarHBondContact O-N 3.44Å; N30-Q87 VanDerWaalsContact CG-NE2 3.35Å; N30-Q87 PolarHBondContact ND2-NE2 3.36Å; N30-Q87 PolarHBondContact OD1-NE2 3.5Å; N30-Q87 PolarHBondContact OD1-OE1 2.85Å; N30-Q87 VanDerWaalsContact OD1-OE1 3.11Å
31M87.7Confident90.4Very high12 Ų1255.6 Ų55.66%0.05928%0.282CS..  trans-66.3134.9-180-160.8175.4-171.800110.8L27 P28 Q29 E35 L36 L39 L51 L86L27-M31 HydrophobicContact CB-SD 4.43Å; L27-M31 HydrophobicContact CD2-SD 3.71Å; L27-M31 HydrophobicContact CG-SD 4.47Å; P28-M31 HydrophobicContact CB-CB 4.47Å; P28-M31 HydrophobicContact CG-CB 3.97Å; P28-M31 HydrophobicContact CG-SD 4.29Å; P28-M31 VanDerWaalsContact O-CB 3.31Å; P28-M31 WeakPolarHBondContact O-CB 3.5Å; P28-M31 PolarHBondContact O-N 2.98Å; P28-M31 VanDerWaalsContact O-N 3.17Å; Q29-M31 VanDerWaalsContact C-N 3.3Å; M31-E35 WeakPolarHBondContact CA-OE2 3.37Å; M31-E35 HydrophobicContact CE-CB 4.13Å; M31-E35 HydrophobicContact CG-CB 4.1Å; M31-L36 HydrophobicContact CE-CB 4.25Å; M31-L36 HydrophobicContact CE-CD1 4.41Å; M31-L39 HydrophobicContact CE-CD2 4.06Å; M31-L51 WeakPolarHBondContact O-CD2 3.47Å; M31-L86 HydrophobicContact CE-CD1 3.93Å; M31-L86 HydrophobicContact SD-CD1 4Å
32T90.4Very high90.5Very high49 Ų4956.9 Ų56.930%0.30130%0.295SS..  trans-93.6163.6178.165.40000111.8N30 D34 E35 L36N30-T32 PolarHBondContact O-N 3.44Å; T32-D34 VanDerWaalsContact C-N 3.31Å; T32-E35 PolarHBondContact N-OE2 3.23Å; T32-E35 WeakPolarHBondContact OG1-CB 3.47Å; T32-E35 WeakPolarHBondContact OG1-CG 3.38Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.96Å; T32-E35 VanDerWaalsContact OG1-OE2 3.11Å; T32-L36 PolarHBondContact O-N 3.37Å; T32-L36 VanDerWaalsContact O-N 3.08Å
33Q90Very high90.6Very high82 Ų8258.4 Ų58.438%0.38330%0.303SS..Hα-helixtrans-66.5-36.9176.1-176.4173.2-69.900111.2L36 R37 A49 L51Q33-L36 WeakPolarHBondContact O-CB 3.26Å; Q33-L36 PolarHBondContact O-N 3.34Å; Q33-R37 WeakPolarHBondContact O-CB 3.35Å; Q33-R37 PolarHBondContact O-N 2.87Å; Q33-A49 WeakPolarHBondContact CG-O 3.48Å; Q33-A49 PolarHBondContact NE2-O 2.84Å; Q33-L51 HydrophobicContact CB-CB 4Å; Q33-L51 HydrophobicContact CG-CB 4.35Å
34D91Very high90.6Very high110 Ų11057.7 Ų57.759%0.58830%0.303SS*.Hα-helixtrans-66.2-39.3178-59-73.9000111.9T32 R37 S38T32-D34 VanDerWaalsContact C-N 3.31Å; D34-R37 PolarHBondContact O-N 3.36Å; D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.31Å; D34-S38 PolarHBondContact O-N 3Å; D34-S38 PolarHBondContact O-OG 3.46Å
35E91.9Very high90.6Very high100 Ų10064.2 Ų64.247%0.46733%0.334SS..Hα-helixtrans-63.4-43.8171.4-75170.2149.500111.7M31 T32 R37 S38 L39M31-E35 WeakPolarHBondContact CA-OE2 3.37Å; M31-E35 HydrophobicContact CE-CB 4.13Å; M31-E35 HydrophobicContact CG-CB 4.1Å; T32-E35 PolarHBondContact N-OE2 3.23Å; T32-E35 WeakPolarHBondContact OG1-CB 3.47Å; T32-E35 WeakPolarHBondContact OG1-CG 3.38Å; T32-E35 PolarHBondContact OG1-N 3.02Å; T32-E35 PolarHBondContact OG1-OE2 2.96Å; T32-E35 VanDerWaalsContact OG1-OE2 3.11Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.45Å; E35-S38 PolarHBondContact O-N 2.81Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 2.87Å
36L93Very high90.7Very high0 Ų062.7 Ų62.70%033%0.326CS..Hα-helixtrans-60.4-47176.4179.167.5000110.6V24 L27 M31 T32 Q33 L39 F40 L51 V66V24-L36 HydrophobicContact CB-CD1 4.46Å; V24-L36 HydrophobicContact CG1-CD1 4.43Å; V24-L36 HydrophobicContact CG2-CD1 4.36Å; L27-L36 HydrophobicContact CD1-CD1 3.89Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 4.15Å; M31-L36 HydrophobicContact CE-CB 4.25Å; M31-L36 HydrophobicContact CE-CD1 4.41Å; T32-L36 PolarHBondContact O-N 3.37Å; T32-L36 VanDerWaalsContact O-N 3.08Å; Q33-L36 WeakPolarHBondContact O-CB 3.26Å; Q33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 2.9Å; L36-F40 HydrophobicContact CD1-CD2 3.8Å; L36-F40 HydrophobicContact CD1-CE2 3.57Å; L36-F40 HydrophobicContact CG-CD2 4.45Å; L36-F40 VanDerWaalsContact O-CD2 3.27Å; L36-F40 WeakPolarHBondContact O-CD2 3.36Å; L36-F40 PolarHBondContact O-N 3.45Å; L36-F40 VanDerWaalsContact O-N 3.16Å; L36-L51 HydrophobicContact CD2-CD1 4.38Å; L36-V66 HydrophobicContact CD1-CG2 4.35Å; L36-V66 HydrophobicContact CD2-CG2 4.19Å; L36-V66 HydrophobicContact CG-CG2 4.11Å
37R93.4Very high90.9Very high138 Ų13863.4 Ų63.452%0.52133%0.333SS..Hα-helixtrans-61.4-47177.6-173177.9175.1-132.1-1.4111.3Q33 D34 E35 L39 F40 S41 V46 A49Q33-R37 WeakPolarHBondContact O-CB 3.35Å; Q33-R37 PolarHBondContact O-N 2.87Å; D34-R37 PolarHBondContact O-N 3.36Å; E35-R37 VanDerWaalsContact C-N 3.35Å; E35-R37 PolarHBondContact O-N 3.45Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 2.82Å; R37-F40 PolarHBondContact O-N 2.99Å; R37-S41 WeakPolarHBondContact O-CB 3.22Å; R37-S41 PolarHBondContact O-N 2.91Å; R37-V46 HydrophobicContact CG-CG1 4.45Å; R37-A49 HydrophobicContact CB-CB 3.78Å; R37-A49 HydrophobicContact CG-CB 4.08Å
38S92.8Very high90.8Very high80 Ų8066.3 Ų66.356%0.55935%0.354SS*.Hα-helixtrans-62.4-41.4-179-59.40000111.7D34 E35 F40 S41 S42D34-S38 VanDerWaalsContact O-CB 3.28Å; D34-S38 WeakPolarHBondContact O-CB 3.31Å; D34-S38 PolarHBondContact O-N 3Å; D34-S38 PolarHBondContact O-OG 3.46Å; E35-S38 PolarHBondContact O-N 2.81Å; S38-F40 PolarHBondContact O-N 2.96Å; S38-S41 PolarHBondContact O-N 3.27Å; S38-S42 PolarHBondContact O-N 3.37Å
39L91.9Very high91.1Very high40 Ų4066.7 Ų66.721%0.20936%0.357CS..Hα-helixtrans-59.8-47.2176.3-179.764.8000111.5M31 E35 L36 R37 S42 L81 L84 L86 I91M31-L39 HydrophobicContact CE-CD2 4.06Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 2.9Å; R37-L39 VanDerWaalsContact C-N 3.33Å; R37-L39 PolarHBondContact O-N 2.82Å; L39-S42 WeakPolarHBondContact O-CB 3.04Å; L39-S42 PolarHBondContact O-N 3.29Å; L39-S42 PolarHBondContact O-OG 3.17Å; L39-L81 HydrophobicContact CD1-CD2 4.27Å; L39-L81 HydrophobicContact CG-CD1 4.5Å; L39-L81 HydrophobicContact CG-CD2 4.46Å; L39-L84 HydrophobicContact CD1-CD2 3.99Å; L39-L84 HydrophobicContact CD2-CD2 4.25Å; L39-L86 HydrophobicContact CD2-CD1 4.03Å; L39-I91 HydrophobicContact CD2-CD1 4.22Å
40F93.4Very high91.4Very high0 Ų066.3 Ų66.30%035%0.354CS..Hα-helixtrans-77.9-26.6-178.2-80.3-102.7000112.9L22 V24 L36 R37 S38 S42 I43 V46 V66 Y68 A77 L81 V93L22-F40 HydrophobicContact CD1-CE1 4.24Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE2 4.22Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-F40 HydrophobicContact CG2-CE1 3.84Å; V24-F40 HydrophobicContact CG2-CE2 3.79Å; V24-F40 HydrophobicContact CG2-CZ 3.25Å; L36-F40 HydrophobicContact CD1-CD2 3.8Å; L36-F40 HydrophobicContact CD1-CE2 3.57Å; L36-F40 HydrophobicContact CG-CD2 4.45Å; L36-F40 VanDerWaalsContact O-CD2 3.27Å; L36-F40 WeakPolarHBondContact O-CD2 3.36Å; L36-F40 PolarHBondContact O-N 3.45Å; L36-F40 VanDerWaalsContact O-N 3.16Å; R37-F40 PolarHBondContact O-N 2.99Å; S38-F40 PolarHBondContact O-N 2.96Å; F40-S42 PolarHBondContact O-N 3.28Å; F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.16Å; F40-V46 HydrophobicContact CB-CG2 3.87Å; F40-V66 HydrophobicContact CB-CG1 3.82Å; F40-V66 HydrophobicContact CB-CG2 4.42Å; F40-V66 HydrophobicContact CD1-CB 4.09Å; F40-V66 HydrophobicContact CD1-CG1 3.83Å; F40-V66 HydrophobicContact CD1-CG2 4.02Å; F40-V66 HydrophobicContact CD2-CG2 4.09Å; F40-V66 HydrophobicContact CE1-CG2 4.35Å; F40-V66 HydrophobicContact CE2-CG2 4.41Å; F40-V66 HydrophobicContact CG-CB 4.34Å; F40-V66 HydrophobicContact CG-CG1 3.93Å; F40-V66 HydrophobicContact CG-CG2 3.9Å; F40-Y68 WeakPolarHBondContact CA-OH 3.3Å; F40-Y68 VanDerWaalsContact CB-OH 3.32Å; F40-Y68 WeakPolarHBondContact CB-OH 3.2Å; F40-Y68 AromaticContact CD1-CE2 3.97Å; F40-Y68 HydrophobicContact CD1-CE2 3.97Å; F40-Y68 VanDerWaalsContact CD1-OH 3.3Å; F40-Y68 WeakPolarHBondContact CD1-OH 3.46Å; F40-Y68 PolarHBondContact O-OH 3.37Å; F40-A77 HydrophobicContact CD1-CB 4.26Å; F40-A77 HydrophobicContact CE1-CB 4.42Å; F40-L81 HydrophobicContact CD1-CD1 3.75Å; F40-L81 HydrophobicContact CD2-CD1 4.1Å; F40-L81 HydrophobicContact CE1-CD1 3.72Å; F40-L81 HydrophobicContact CE2-CD1 4.08Å; F40-L81 HydrophobicContact CG-CD1 3.93Å; F40-L81 HydrophobicContact CZ-CD1 3.87Å; F40-V93 HydrophobicContact CE1-CG1 3.88Å; F40-V93 HydrophobicContact CE1-CG2 4.29Å; F40-V93 HydrophobicContact CZ-CG1 4.17Å; F40-V93 HydrophobicContact CZ-CG2 3.82Å
41S93.1Very high91.7Very high67 Ų6761.9 Ų61.947%0.46933%0.33SS..Hα-helixtrans-65.5-17173.8-167.60000113.1R37 S38 I43 G44R37-S41 WeakPolarHBondContact O-CB 3.22Å; R37-S41 PolarHBondContact O-N 2.91Å; S38-S41 PolarHBondContact O-N 3.27Å; S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.48Å; S41-G44 WeakPolarHBondContact CA-O 3.39Å
42S92.6Very high91.8Very high87 Ų8762.9 Ų62.961%0.60834%0.335SS*.THydrogen-bonded Turntrans-69.2-23.4174.4710000113.4S38 L39 F40S38-S42 PolarHBondContact O-N 3.37Å; L39-S42 WeakPolarHBondContact O-CB 3.04Å; L39-S42 PolarHBondContact O-N 3.29Å; L39-S42 PolarHBondContact O-OG 3.17Å; F40-S42 PolarHBondContact O-N 3.28Å
43I93.3Very high91.6Very high32 Ų3266.3 Ų66.316%0.16434%0.342CS..THydrogen-bonded Turntrans-91.4-38.2-178.7-55-60.7000111.8F40 S41 R76 A77 T80 L81F40-I43 PolarHBondContact O-N 2.96Å; F40-I43 VanDerWaalsContact O-N 3.16Å; S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.48Å; I43-R76 HydrophobicContact CG2-CB 3.69Å; I43-R76 PolarHBondContact O-NH2 2.98Å; I43-A77 HydrophobicContact CB-CB 4.27Å; I43-A77 HydrophobicContact CG1-CB 4.26Å; I43-A77 HydrophobicContact CG2-CB 4Å; I43-T80 HydrophobicContact CD1-CG2 3.85Å; I43-L81 HydrophobicContact CD1-CD2 4.4Å; I43-L81 HydrophobicContact CD1-CG 4.29Å; I43-L81 HydrophobicContact CG1-CD1 3.8Å; I43-L81 HydrophobicContact CG1-CD2 4.49Å; I43-L81 HydrophobicContact CG1-CG 4.06Å
44G90.7Very high91.2Very high15 Ų1564.7 Ų64.716%0.15534%0.337CS..SBendtrans-176.2-177.3-175.600000112.2S41 V46S41-G44 WeakPolarHBondContact CA-O 3.39Å; G44-V46 PolarHBondContact O-N 2.98Å
45E92.7Very high90.5Very high137 Ų13769.5 Ų69.564%0.6435%0.352SS*.  trans-76.7114-175.2-166.6175169.800111.1Y68 V69E45-Y68 WeakPolarHBondContact O-CD1 3.09Å; E45-V69 HydrophobicContact CB-CB 4.46Å; E45-V69 HydrophobicContact CB-CG2 4.15Å; E45-V69 HydrophobicContact CG-CG2 3.89Å; E45-V69 PolarHBondContact O-N 2.79Å
46V93.4Very high89.8Confident11 Ų1170.7 Ų70.77%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-88.4114.1-1801770000109.4R37 F40 G44 S48 A49 V66 Y68R37-V46 HydrophobicContact CG-CG1 4.45Å; F40-V46 HydrophobicContact CB-CG2 3.87Å; G44-V46 PolarHBondContact O-N 2.98Å; V46-S48 WeakPolarHBondContact CG1-O 3.18Å; V46-A49 HydrophobicContact CG1-CB 4.11Å; V46-V66 HydrophobicContact CG1-CG1 3.75Å; V46-V66 HydrophobicContact CG2-CG1 4.06Å; V46-Y68 HydrophobicContact CG2-CD1 4.09Å; V46-Y68 HydrophobicContact CG2-CE1 3.62Å
47E91.3Very high88.9Confident126 Ų12673.1 Ų73.159%0.58939%0.386SS*.EExtended strand (participates in β ladder)trans-68.2-45.3174.1-171.8-170.9-142.900110.9N67 V69E47-N67 PolarHBondContact N-O 2.96Å; E47-N67 PolarHBondContact OE2-ND2 2.85Å; E47-V69 HydrophobicContact CB-CG2 3.89Å
48S89.1Confident88Confident61 Ų6168.6 Ų68.643%0.42738%0.382SS..EExtended strand (participates in β ladder)trans-149.8144.7175.867.20000112.4V46 V66 N67V46-S48 WeakPolarHBondContact CG1-O 3.18Å; S48-V66 CarbonylContact O-C 3.46Å; S48-V66 WeakPolarHBondContact O-CA 3.46Å; S48-N67 PolarHBondContact N-O 3.16Å; S48-N67 VanDerWaalsContact N-O 3.11Å; S48-N67 PolarHBondContact O-N 2.78Å; S48-N67 WeakPolarHBondContact OG-CB 3.19Å
49A92.3Very high87.3Confident12 Ų1269.9 Ų69.910%0.09938%0.379CS..EExtended strand (participates in β ladder)trans-132.6124.4170.700000108.5Q33 R37 V46 F65 V66Q33-A49 WeakPolarHBondContact CG-O 3.48Å; Q33-A49 PolarHBondContact NE2-O 2.84Å; R37-A49 HydrophobicContact CB-CB 3.78Å; R37-A49 HydrophobicContact CG-CB 4.08Å; V46-A49 HydrophobicContact CG1-CB 4.11Å; A49-F65 CarbonylContact C-O 3.52Å; A49-F65 WeakPolarHBondContact CA-O 3.36Å; A49-V66 HydrophobicContact CB-CG2 4.32Å
50K90.9Very high86.9Confident131 Ų13168.4 Ų68.457%0.5737%0.372SS*.EExtended strand (participates in β ladder)trans-127.8113.1-176.9-170.9175.4-175.6169.40110I52 G64 F65K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CG-CD1 4.07Å; K50-G64 CarbonylContact O-C 3.54Å; K50-G64 WeakPolarHBondContact O-CA 3.42Å; K50-F65 PolarHBondContact N-O 3.47Å; K50-F65 PolarHBondContact O-N 2.79Å
51L91.1Very high86.4Confident9 Ų971.1 Ų71.15%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-84.5125.6172.1-175.570000109.1L27 M31 Q33 L36 R53L27-L51 HydrophobicContact CD1-CD1 3.55Å; M31-L51 WeakPolarHBondContact O-CD2 3.47Å; Q33-L51 HydrophobicContact CB-CB 4Å; Q33-L51 HydrophobicContact CG-CB 4.35Å; L36-L51 HydrophobicContact CD2-CD1 4.38Å; L51-R53 PolarHBondContact O-N 3.11Å
52I88.5Confident86.1Confident33 Ų3368.4 Ų68.417%0.16937%0.369CS..EExtended strand (participates in β ladder)trans-83.7122.7-179.9-52.5-57.1000109.7K50 L61 Y63 F65K50-I52 HydrophobicContact CD-CD1 4.15Å; K50-I52 HydrophobicContact CG-CD1 4.07Å; I52-L61 HydrophobicContact CG2-CD1 3.61Å; I52-L61 HydrophobicContact CG2-CG 4.24Å; I52-L61 PolarHBondContact O-N 3.07Å; I52-Y63 HydrophobicContact CB-CD2 4.24Å; I52-Y63 HydrophobicContact CB-CE1 4.39Å; I52-Y63 HydrophobicContact CB-CE2 3.82Å; I52-Y63 HydrophobicContact CG1-CD2 3.96Å; I52-Y63 HydrophobicContact CG1-CE2 3.54Å; I52-Y63 HydrophobicContact CG2-CE1 4.43Å; I52-Y63 HydrophobicContact CG2-CE2 4.18Å; I52-Y63 PolarHBondContact N-O 3.49Å; I52-F65 HydrophobicContact CD1-CD2 3.9Å; I52-F65 HydrophobicContact CD1-CE2 4.02Å; I52-F65 HydrophobicContact CG1-CD2 3.85Å; I52-F65 HydrophobicContact CG1-CE2 3.75Å
53R86.4Confident86Confident121 Ų12167.5 Ų67.546%0.45735%0.353SS..EExtended strand (participates in β ladder)trans-118.1150.2177.6-61.9-177.6170.8-173.6-2.4110.1L51 K55 H59L51-R53 PolarHBondContact O-N 3.11Å; R53-K55 PolarHBondContact O-N 3.43Å; R53-H59 CarbonylContact C-O 3.41Å; R53-H59 VanDerWaalsContact CA-O 3.3Å; R53-H59 WeakPolarHBondContact CA-O 3.44Å
54D82.3Confident85.9Confident49 Ų4966 Ų6626%0.26235%0.345SS..  trans-61125.6172.5-172.3-82.1000109.5V56 A57 G58 H59 L61D54-V56 PolarHBondContact O-N 2.73Å; D54-V56 WeakPolarHBondContact OD1-CA 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.21Å; D54-A57 HydrophobicContact CB-CB 4.42Å; D54-A57 PolarHBondContact OD1-N 2.84Å; D54-G58 VanDerWaalsContact O-CA 3.25Å; D54-G58 WeakPolarHBondContact O-CA 3.39Å; D54-G58 PolarHBondContact O-N 3.46Å; D54-H59 PolarHBondContact N-O 3.14Å; D54-L61 HydrophobicContact CB-CD2 3.96Å
55K76Confident86Confident211 Ų21168 Ų6892%0.91735%0.35SS*.THydrogen-bonded Turntrans-64.7-23.1-175.9-72.1-172.5178.6-173.50113.4R53R53-K55 PolarHBondContact O-N 3.43Å
56V77.1Confident86.1Confident125 Ų12561.5 Ų61.576%0.75832%0.319SS*.THydrogen-bonded Turntrans-98.7-45.9-173.9-176.10000110.6D54D54-V56 PolarHBondContact O-N 2.73Å; D54-V56 WeakPolarHBondContact OD1-CA 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.21Å
57A74.7Confident86.1Confident51 Ų5162.4 Ų62.442%0.42132%0.324SS..THydrogen-bonded Turntrans-97.8-9.5-17500000113.9D54 H59D54-A57 HydrophobicContact CB-CB 4.42Å; D54-A57 PolarHBondContact OD1-N 2.84Å; A57-H59 VanDerWaalsContact CB-CD2 3.45Å; A57-H59 WeakPolarHBondContact CB-CD2 3.42Å; A57-H59 PolarHBondContact O-N 2.93Å
58G74.8Confident86.2Confident43 Ų4356.4 Ų56.444%0.44330%0.296SS..  trans68.4-2.8-178.500000115D54D54-G58 VanDerWaalsContact O-CA 3.25Å; D54-G58 WeakPolarHBondContact O-CA 3.39Å; D54-G58 PolarHBondContact O-N 3.46Å
59H77.6Confident86.2Confident106 Ų10657 Ų5749%0.49130%0.297SS..  trans-71.9142.2-179.7-61.9-55.7000111.6R53 D54 A57 L61R53-H59 CarbonylContact C-O 3.41Å; R53-H59 VanDerWaalsContact CA-O 3.3Å; R53-H59 WeakPolarHBondContact CA-O 3.44Å; D54-H59 PolarHBondContact N-O 3.14Å; A57-H59 VanDerWaalsContact CB-CD2 3.45Å; A57-H59 WeakPolarHBondContact CB-CD2 3.42Å; A57-H59 PolarHBondContact O-N 2.93Å; H59-L61 PolarHBondContact O-N 2.97Å
60S83.8Confident86.1Confident9 Ų959.3 Ų59.36%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-60130.9173.3-177.20000111G62S60-G62 PolarHBondContact O-N 3.25Å; S60-G62 PolarHBondContact OG-N 2.85Å
61L83.7Confident86Confident58 Ų5854.9 Ų54.930%0.30430%0.298SS..EExtended strand (participates in β ladder)trans-74.60.4172.2-61.8-173.6000112I52 D54 H59 Y63I52-L61 HydrophobicContact CG2-CD1 3.61Å; I52-L61 HydrophobicContact CG2-CG 4.24Å; I52-L61 PolarHBondContact O-N 3.07Å; D54-L61 HydrophobicContact CB-CD2 3.96Å; H59-L61 PolarHBondContact O-N 2.97Å; L61-Y63 VanDerWaalsContact C-N 3.29Å; L61-Y63 HydrophobicContact CB-CD1 3.7Å; L61-Y63 HydrophobicContact CB-CE1 3.42Å; L61-Y63 VanDerWaalsContact CB-CE1 3.42Å; L61-Y63 HydrophobicContact CD1-CE1 3.76Å; L61-Y63 HydrophobicContact CG-CE1 4.24Å; L61-Y63 PolarHBondContact O-N 3.37Å
62G86.4Confident86Confident10 Ų1062.1 Ų62.110%0.10333%0.329CS..EExtended strand (participates in β ladder)trans74.320.5178.500000113.3Y26 L27 S60Y26-G62 PolarHBondContact N-O 3.22Å; L27-G62 PolarHBondContact N-O 2.9Å; S60-G62 PolarHBondContact O-N 3.25Å; S60-G62 PolarHBondContact OG-N 2.85Å
63Y90.6Very high86.2Confident67 Ų6761.3 Ų61.326%0.26332%0.324SS..EExtended strand (participates in β ladder)trans-145156.3169.270.7-84.5000111.3I23 V24 I52 L61 F65I23-Y63 HydrophobicContact CD1-CD2 4.37Å; V24-Y63 CarbonylContact O-C 3.57Å; V24-Y63 WeakPolarHBondContact O-CA 3.18Å; V24-Y63 VanDerWaalsContact O-CB 3.3Å; V24-Y63 WeakPolarHBondContact O-CB 3.41Å; I52-Y63 HydrophobicContact CB-CD2 4.24Å; I52-Y63 HydrophobicContact CB-CE1 4.39Å; I52-Y63 HydrophobicContact CB-CE2 3.82Å; I52-Y63 HydrophobicContact CG1-CD2 3.96Å; I52-Y63 HydrophobicContact CG1-CE2 3.54Å; I52-Y63 HydrophobicContact CG2-CE1 4.43Å; I52-Y63 HydrophobicContact CG2-CE2 4.18Å; I52-Y63 PolarHBondContact N-O 3.49Å; L61-Y63 VanDerWaalsContact C-N 3.29Å; L61-Y63 HydrophobicContact CB-CD1 3.7Å; L61-Y63 HydrophobicContact CB-CE1 3.42Å; L61-Y63 VanDerWaalsContact CB-CE1 3.42Å; L61-Y63 HydrophobicContact CD1-CE1 3.76Å; L61-Y63 HydrophobicContact CG-CE1 4.24Å; L61-Y63 PolarHBondContact O-N 3.37Å; Y63-F65 HydrophobicContact CD2-CE2 4.11Å; Y63-F65 HydrophobicContact CD2-CZ 4.44Å; Y63-F65 AromaticContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CZ 4.21Å
64G91.7Very high86.4Confident0 Ų055.5 Ų55.50%030%0.303CS..EExtended strand (participates in β ladder)trans-146.2169.7179.300000111.5V24 K50V24-G64 PolarHBondContact N-O 3.45Å; V24-G64 PolarHBondContact O-N 3.36Å; K50-G64 CarbonylContact O-C 3.54Å; K50-G64 WeakPolarHBondContact O-CA 3.42Å
65F92.8Very high86.9Confident59 Ų5958 Ų5826%0.25931%0.312SS..EExtended strand (participates in β ladder)trans-118.5141.3174.3-63.4-87000109.5L22 I23 A49 K50 I52 Y63 A96L22-F65 CarbonylContact O-C 3.5Å; L22-F65 VanDerWaalsContact O-CA 3.23Å; L22-F65 WeakPolarHBondContact O-CA 3.49Å; I23-F65 HydrophobicContact CB-CD1 4.02Å; I23-F65 HydrophobicContact CB-CE1 3.89Å; I23-F65 HydrophobicContact CD1-CE1 3.76Å; I23-F65 HydrophobicContact CD1-CZ 3.91Å; I23-F65 HydrophobicContact CG1-CD1 4.16Å; I23-F65 HydrophobicContact CG1-CE1 3.79Å; I23-F65 HydrophobicContact CG1-CZ 4.23Å; A49-F65 CarbonylContact C-O 3.52Å; A49-F65 WeakPolarHBondContact CA-O 3.36Å; K50-F65 PolarHBondContact N-O 3.47Å; K50-F65 PolarHBondContact O-N 2.79Å; I52-F65 HydrophobicContact CD1-CD2 3.9Å; I52-F65 HydrophobicContact CD1-CE2 4.02Å; I52-F65 HydrophobicContact CG1-CD2 3.85Å; I52-F65 HydrophobicContact CG1-CE2 3.75Å; Y63-F65 HydrophobicContact CD2-CE2 4.11Å; Y63-F65 HydrophobicContact CD2-CZ 4.44Å; Y63-F65 AromaticContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CE2 3.82Å; Y63-F65 HydrophobicContact CE2-CZ 4.21Å; F65-A96 HydrophobicContact CD1-CB 3.91Å; F65-A96 HydrophobicContact CE1-CB 4.18Å
66V94.3Very high87.7Confident0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-132.6119.3177.5-179.70000107.5N21 L22 V24 L36 F40 V46 S48 A49 Y68N21-V66 CarbonylContact C-O 3.51Å; L22-V66 WeakPolarHBondContact CB-O 3.38Å; L22-V66 PolarHBondContact N-O 2.93Å; L22-V66 PolarHBondContact O-N 3.42Å; V24-V66 HydrophobicContact CG2-CG2 4.04Å; L36-V66 HydrophobicContact CD1-CG2 4.35Å; L36-V66 HydrophobicContact CD2-CG2 4.19Å; L36-V66 HydrophobicContact CG-CG2 4.11Å; F40-V66 HydrophobicContact CB-CG1 3.82Å; F40-V66 HydrophobicContact CB-CG2 4.42Å; F40-V66 HydrophobicContact CD1-CB 4.09Å; F40-V66 HydrophobicContact CD1-CG1 3.83Å; F40-V66 HydrophobicContact CD1-CG2 4.02Å; F40-V66 HydrophobicContact CD2-CG2 4.09Å; F40-V66 HydrophobicContact CE1-CG2 4.35Å; F40-V66 HydrophobicContact CE2-CG2 4.41Å; F40-V66 HydrophobicContact CG-CB 4.34Å; F40-V66 HydrophobicContact CG-CG1 3.93Å; F40-V66 HydrophobicContact CG-CG2 3.9Å; V46-V66 HydrophobicContact CG1-CG1 3.75Å; V46-V66 HydrophobicContact CG2-CG1 4.06Å; S48-V66 CarbonylContact O-C 3.46Å; S48-V66 WeakPolarHBondContact O-CA 3.46Å; A49-V66 HydrophobicContact CB-CG2 4.32Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 4Å
67N92.3Very high88.4Confident29 Ų2948.1 Ų48.116%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-102.2124.5172.4-154.230.3000109.5T20 N21 E47 S48T20-N67 WeakPolarHBondContact CB-OD1 3.29Å; T20-N67 PolarHBondContact O-OD1 3.43Å; T20-N67 PolarHBondContact OG1-OD1 3.44Å; N21-N67 VanDerWaalsContact CA-OD1 3.23Å; N21-N67 WeakPolarHBondContact CA-OD1 3.41Å; N21-N67 WeakPolarHBondContact CB-OD1 3.28Å; N21-N67 PolarHBondContact N-OD1 2.93Å; N21-N67 VanDerWaalsContact N-OD1 3.07Å; E47-N67 PolarHBondContact N-O 2.96Å; E47-N67 PolarHBondContact OE2-ND2 2.85Å; S48-N67 PolarHBondContact N-O 3.16Å; S48-N67 VanDerWaalsContact N-O 3.11Å; S48-N67 PolarHBondContact O-N 2.78Å; S48-N67 WeakPolarHBondContact OG-CB 3.19Å
68Y93.4Very high89.3Confident1 Ų146.7 Ų46.70%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-87.3156.2171.5-79.1-83.5000111.4T20 L22 F40 E45 V46 V66 T70 D73 A74 A77T20-Y68 WeakPolarHBondContact CB-O 3.43Å; T20-Y68 WeakPolarHBondContact CG2-O 3.03Å; T20-Y68 PolarHBondContact O-N 3.16Å; L22-Y68 HydrophobicContact CD1-CD2 4.02Å; L22-Y68 HydrophobicContact CD1-CE2 3.67Å; L22-Y68 HydrophobicContact CG-CD2 4.39Å; L22-Y68 HydrophobicContact CG-CE2 4.48Å; F40-Y68 WeakPolarHBondContact CA-OH 3.3Å; F40-Y68 VanDerWaalsContact CB-OH 3.32Å; F40-Y68 WeakPolarHBondContact CB-OH 3.2Å; F40-Y68 AromaticContact CD1-CE2 3.97Å; F40-Y68 HydrophobicContact CD1-CE2 3.97Å; F40-Y68 VanDerWaalsContact CD1-OH 3.3Å; F40-Y68 WeakPolarHBondContact CD1-OH 3.46Å; F40-Y68 PolarHBondContact O-OH 3.37Å; E45-Y68 WeakPolarHBondContact O-CD1 3.09Å; V46-Y68 HydrophobicContact CG2-CD1 4.09Å; V46-Y68 HydrophobicContact CG2-CE1 3.62Å; V66-Y68 HydrophobicContact CG1-CD2 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 4Å; Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 WeakPolarHBondContact CB-O 3.24Å; Y68-D73 HydrophobicContact CD1-CB 3.41Å; Y68-D73 VanDerWaalsContact CD1-CB 3.41Å; Y68-D73 HydrophobicContact CE1-CB 3.93Å; Y68-D73 HydrophobicContact CG-CB 3.85Å; Y68-A74 VanDerWaalsContact CD2-CA 3.47Å; Y68-A74 HydrophobicContact CD2-CB 3.77Å; Y68-A74 HydrophobicContact CG-CB 4.27Å; Y68-A77 HydrophobicContact CE2-CB 3.53Å; Y68-A77 VanDerWaalsContact OH-CB 3.26Å; Y68-A77 WeakPolarHBondContact OH-CB 3.39Å
69V90.5Very high90.1Very high74 Ų7450.5 Ų50.545%0.44825%0.251SS..SBendtrans-68.5-36.8169.4179.80000110.1E45 E47E45-V69 HydrophobicContact CB-CB 4.46Å; E45-V69 HydrophobicContact CB-CG2 4.15Å; E45-V69 HydrophobicContact CG-CG2 3.89Å; E45-V69 PolarHBondContact O-N 2.79Å; E47-V69 HydrophobicContact CB-CG2 3.89Å
70T89.4Confident90.7Very high59 Ų5949.8 Ų49.836%0.36225%0.254SS..SBendtrans-118.2141.3-178.682.70000112.6Y68 K72 D73 A74Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 WeakPolarHBondContact CB-O 3.24Å; T70-K72 PolarHBondContact O-N 2.89Å; T70-D73 PolarHBondContact O-N 2.98Å; T70-D73 WeakPolarHBondContact OG1-CB 3.44Å; T70-D73 PolarHBondContact OG1-N 2.98Å; T70-D73 PolarHBondContact OG1-OD1 2.83Å; T70-D73 PolarHBondContact OG1-OD2 2.8Å; T70-A74 PolarHBondContact O-N 3.4Å
71A89.8Confident91.1Very high39 Ų3949.8 Ų49.832%0.32225%0.254SS..Hα-helixtrans-66.1-29.3177.900000112.3T20 D73 A74 E75T20-A71 HydrophobicContact CG2-CB 4.19Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.79Å; A71-A74 WeakPolarHBondContact O-CB 3.21Å; A71-A74 PolarHBondContact O-N 2.8Å; A71-E75 PolarHBondContact O-N 2.79Å
72K90.4Very high91.5Very high161 Ų16150.8 Ų50.870%0.726%0.259SS*.Hα-helixtrans-62.5-39.8174.5-68.8-176.9178.2-179.70111.6T70 R76T70-K72 PolarHBondContact O-N 2.89Å; K72-R76 VanDerWaalsContact O-CG 3.3Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 2.91Å
73D92.7Very high91.6Very high15 Ų1552.4 Ų52.48%0.0828%0.276CS..Hα-helixtrans-68-39.7176.7-62.5-24.9000111.5Y68 T70 A71 R76 A77Y68-D73 HydrophobicContact CD1-CB 3.41Å; Y68-D73 VanDerWaalsContact CD1-CB 3.41Å; Y68-D73 HydrophobicContact CE1-CB 3.93Å; Y68-D73 HydrophobicContact CG-CB 3.85Å; T70-D73 PolarHBondContact O-N 2.98Å; T70-D73 WeakPolarHBondContact OG1-CB 3.44Å; T70-D73 PolarHBondContact OG1-N 2.98Å; T70-D73 PolarHBondContact OG1-OD1 2.83Å; T70-D73 PolarHBondContact OG1-OD2 2.8Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.79Å; D73-R76 PolarHBondContact O-N 3.37Å; D73-R76 IonicContact OD1-CZ 3.88Å; D73-R76 IonicContact OD1-NE 3.86Å; D73-R76 IonicContact OD1-NH2 3.77Å; D73-R76 PolarHBondContact OD1-NH2 3.16Å; D73-A77 VanDerWaalsContact O-CB 3.3Å; D73-A77 WeakPolarHBondContact O-CB 3.39Å; D73-A77 PolarHBondContact O-N 2.63Å
74A91.2Very high91.6Very high0 Ų052.1 Ų52.10%028%0.279CS..Hα-helixtrans-60.8-45.2176.200000112.2R19 L22 Y68 T70 A71 A77 I78R19-A74 WeakPolarHBondContact O-CB 3.42Å; L22-A74 HydrophobicContact CD1-CB 4.3Å; L22-A74 HydrophobicContact CD2-CB 3.98Å; L22-A74 HydrophobicContact CG-CB 4.14Å; Y68-A74 VanDerWaalsContact CD2-CA 3.47Å; Y68-A74 HydrophobicContact CD2-CB 3.77Å; Y68-A74 HydrophobicContact CG-CB 4.27Å; T70-A74 PolarHBondContact O-N 3.4Å; A71-A74 WeakPolarHBondContact O-CB 3.21Å; A71-A74 PolarHBondContact O-N 2.8Å; A74-A77 PolarHBondContact O-N 3.16Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.18Å
75E91.4Very high91.5Very high100 Ų10061.2 Ų61.247%0.46731%0.313SS..Hα-helixtrans-62.4-48.1175.9-177.1-179.5-119.600111.8A71 A77 I78 N79 Y95A71-E75 PolarHBondContact O-N 2.79Å; E75-A77 PolarHBondContact O-N 3.47Å; E75-I78 PolarHBondContact O-N 2.97Å; E75-N79 PolarHBondContact O-N 3.48Å; E75-N79 PolarHBondContact O-ND2 3.29Å; E75-Y95 WeakPolarHBondContact CB-OH 3.39Å
76R92.8Very high91.2Very high130 Ų13060.2 Ų60.249%0.49131%0.31SS..Hα-helixtrans-58.3-37.7176.3-72.5-169.5-62.4168.32111.7I43 K72 D73 N79 T80I43-R76 HydrophobicContact CG2-CB 3.69Å; I43-R76 PolarHBondContact O-NH2 2.98Å; K72-R76 VanDerWaalsContact O-CG 3.3Å; K72-R76 WeakPolarHBondContact O-CG 3.28Å; K72-R76 PolarHBondContact O-N 2.91Å; D73-R76 PolarHBondContact O-N 3.37Å; D73-R76 IonicContact OD1-CZ 3.88Å; D73-R76 IonicContact OD1-NE 3.86Å; D73-R76 IonicContact OD1-NH2 3.77Å; D73-R76 PolarHBondContact OD1-NH2 3.16Å; R76-N79 PolarHBondContact O-N 3.16Å; R76-T80 VanDerWaalsContact O-CB 3.28Å; R76-T80 WeakPolarHBondContact O-CB 3.47Å; R76-T80 PolarHBondContact O-N 3.44Å; R76-T80 PolarHBondContact O-OG1 2.9Å
77A93.3Very high90.7Very high0 Ų066 Ų660%034%0.337CS..Hα-helixtrans-67.9-39.8179.200000111.9L22 F40 I43 Y68 D73 A74 E75 L81L22-A77 HydrophobicContact CD1-CB 3.85Å; F40-A77 HydrophobicContact CD1-CB 4.26Å; F40-A77 HydrophobicContact CE1-CB 4.42Å; I43-A77 HydrophobicContact CB-CB 4.27Å; I43-A77 HydrophobicContact CG1-CB 4.26Å; I43-A77 HydrophobicContact CG2-CB 4Å; Y68-A77 HydrophobicContact CE2-CB 3.53Å; Y68-A77 VanDerWaalsContact OH-CB 3.26Å; Y68-A77 WeakPolarHBondContact OH-CB 3.39Å; D73-A77 VanDerWaalsContact O-CB 3.3Å; D73-A77 WeakPolarHBondContact O-CB 3.39Å; D73-A77 PolarHBondContact O-N 2.63Å; A74-A77 PolarHBondContact O-N 3.16Å; E75-A77 PolarHBondContact O-N 3.47Å; A77-L81 HydrophobicContact CB-CD1 4.37Å; A77-L81 WeakPolarHBondContact O-CA 3.47Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.45Å
78I92.6Very high90.3Very high21 Ų2169.6 Ų69.611%0.10837%0.365CS..Hα-helixtrans-60.7-51.1171.5-66.2168.9000109.8L22 A74 E75 T80 N82 V93 Y95L22-I78 HydrophobicContact CD1-CG1 4.12Å; L22-I78 HydrophobicContact CD2-CD1 3.58Å; L22-I78 HydrophobicContact CD2-CG1 3.74Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.18Å; E75-I78 PolarHBondContact O-N 2.97Å; I78-T80 PolarHBondContact O-N 3.44Å; I78-N82 HydrophobicContact CG2-CB 4.44Å; I78-N82 WeakPolarHBondContact O-CB 3.45Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 VanDerWaalsContact O-N 3.08Å; I78-V93 HydrophobicContact CG1-CG1 3.95Å; I78-Y95 HydrophobicContact CD1-CD1 3.66Å; I78-Y95 HydrophobicContact CD1-CD2 3.62Å; I78-Y95 HydrophobicContact CD1-CE1 3.48Å; I78-Y95 VanDerWaalsContact CD1-CE1 3.48Å; I78-Y95 HydrophobicContact CD1-CE2 3.46Å; I78-Y95 VanDerWaalsContact CD1-CE2 3.46Å; I78-Y95 HydrophobicContact CD1-CG 3.73Å
79N91.3Very high89.9Confident123 Ų12372.6 Ų72.666%0.65838%0.378SS*.Hα-helixtrans-65-28.5-175.2-69.6-25.6000113.3E75 R76E75-N79 PolarHBondContact O-N 3.48Å; E75-N79 PolarHBondContact O-ND2 3.29Å; R76-N79 PolarHBondContact O-N 3.16Å
80T90.6Very high89.9Confident90 Ų9072.7 Ų72.755%0.55238%0.379SS*.Hα-helixtrans-97.4-41.3-175.4-48.50000113.1I43 R76 I78I43-T80 HydrophobicContact CD1-CG2 3.85Å; R76-T80 VanDerWaalsContact O-CB 3.28Å; R76-T80 WeakPolarHBondContact O-CB 3.47Å; R76-T80 PolarHBondContact O-N 3.44Å; R76-T80 PolarHBondContact O-OG1 2.9Å; I78-T80 PolarHBondContact O-N 3.44Å
81L92Very high90Very high10 Ų1070 Ų705%0.05236%0.362CS..Hα-helixtrans-98.8-17.5-172-57.7175.8000113.2L39 F40 I43 A77 G83 L84 I91 V93L39-L81 HydrophobicContact CD1-CD2 4.27Å; L39-L81 HydrophobicContact CG-CD1 4.5Å; L39-L81 HydrophobicContact CG-CD2 4.46Å; F40-L81 HydrophobicContact CD1-CD1 3.75Å; F40-L81 HydrophobicContact CD2-CD1 4.1Å; F40-L81 HydrophobicContact CE1-CD1 3.72Å; F40-L81 HydrophobicContact CE2-CD1 4.08Å; F40-L81 HydrophobicContact CG-CD1 3.93Å; F40-L81 HydrophobicContact CZ-CD1 3.87Å; I43-L81 HydrophobicContact CD1-CD2 4.4Å; I43-L81 HydrophobicContact CD1-CG 4.29Å; I43-L81 HydrophobicContact CG1-CD1 3.8Å; I43-L81 HydrophobicContact CG1-CD2 4.49Å; I43-L81 HydrophobicContact CG1-CG 4.06Å; A77-L81 HydrophobicContact CB-CD1 4.37Å; A77-L81 WeakPolarHBondContact O-CA 3.47Å; A77-L81 WeakPolarHBondContact O-CB 3.15Å; A77-L81 PolarHBondContact O-N 3.45Å; L81-G83 PolarHBondContact O-N 3.41Å; L81-L84 HydrophobicContact CD2-CD2 4.13Å; L81-L84 VanDerWaalsContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CB 3.12Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.09Å; L81-I91 WeakPolarHBondContact O-CG1 3.34Å; L81-V93 HydrophobicContact CB-CG2 4.02Å
82N91.4Very high90Very high78 Ų7871.7 Ų71.742%0.41736%0.362SS..THydrogen-bonded Turntrans-65.4125.6174.2-174.536000110.2I78 K92 V93I78-N82 HydrophobicContact CG2-CB 4.44Å; I78-N82 WeakPolarHBondContact O-CB 3.45Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 VanDerWaalsContact O-N 3.08Å; N82-K92 WeakPolarHBondContact OD1-CA 3.44Å; N82-V93 HydrophobicContact CB-CB 4.05Å; N82-V93 HydrophobicContact CB-CG2 4.48Å; N82-V93 PolarHBondContact OD1-N 3.27Å; N82-V93 PolarHBondContact OD1-O 3.22Å
83G89.3Confident90.1Very high45 Ų4564.1 Ų64.146%0.46433%0.329SS..THydrogen-bonded Turntrans87.32.7-174.900000114.2L81 R85 T90 I91L81-G83 PolarHBondContact O-N 3.41Å; G83-R85 PolarHBondContact O-N 2.93Å; G83-T90 VanDerWaalsContact O-CG2 3.28Å; G83-T90 WeakPolarHBondContact O-CG2 3.27Å; G83-I91 WeakPolarHBondContact CA-O 3.38Å; G83-I91 PolarHBondContact N-O 2.79Å
84L90.3Very high90Very high61 Ų6165.2 Ų65.232%0.31934%0.338SS..  trans-65.8131175.6-175.970.3000110.5L39 L81 L86 T90 I91L39-L84 HydrophobicContact CD1-CD2 3.99Å; L39-L84 HydrophobicContact CD2-CD2 4.25Å; L81-L84 HydrophobicContact CD2-CD2 4.13Å; L81-L84 VanDerWaalsContact O-CB 3.23Å; L81-L84 WeakPolarHBondContact O-CB 3.12Å; L81-L84 PolarHBondContact O-N 3.11Å; L81-L84 VanDerWaalsContact O-N 3.09Å; L84-L86 HydrophobicContact CD2-CD2 3.88Å; L84-L86 HydrophobicContact CD2-CG 4.47Å; L84-L86 HydrophobicContact CG-CD2 4.19Å; L84-T90 WeakPolarHBondContact O-CA 3.45Å; L84-I91 HydrophobicContact CB-CD1 3.94Å; L84-I91 HydrophobicContact CB-CG1 3.96Å; L84-I91 HydrophobicContact CD2-CD1 4.29Å; L84-I91 WeakPolarHBondContact O-CG1 3.43Å; L84-I91 PolarHBondContact O-N 3.33Å
85R90.2Very high89.9Confident191 Ų19168.7 Ų68.772%0.72135%0.352SS*.EExtended strand (participates in β ladder)trans-88.3113.3179.1-167.8171.6176.1175.2-0.6110.4G83 K89G83-R85 PolarHBondContact O-N 2.93Å; R85-K89 CarbonylContact C-O 3.49Å; R85-K89 WeakPolarHBondContact CA-O 3.17Å
86L86.8Confident89.6Confident38 Ų3864.5 Ų64.520%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-111.4113.2173.4-60-174.9000109.3P28 M31 L39 L84 S88 K89 I91P28-L86 HydrophobicContact CG-CB 4.04Å; M31-L86 HydrophobicContact CE-CD1 3.93Å; M31-L86 HydrophobicContact SD-CD1 4Å; L39-L86 HydrophobicContact CD2-CD1 4.03Å; L84-L86 HydrophobicContact CD2-CD2 3.88Å; L84-L86 HydrophobicContact CD2-CG 4.47Å; L84-L86 HydrophobicContact CG-CD2 4.19Å; L86-S88 PolarHBondContact O-N 3.28Å; L86-K89 CarbonylContact C-O 3.49Å; L86-K89 PolarHBondContact N-O 3.08Å; L86-K89 PolarHBondContact O-N 2.97Å; L86-I91 HydrophobicContact CB-CG2 4.29Å; L86-I91 HydrophobicContact CD1-CD1 4.24Å; L86-I91 HydrophobicContact CD1-CG2 3.62Å; L86-I91 HydrophobicContact CG-CG2 3.9Å
87Q83.7Confident88.8Confident121 Ų12162.6 Ų62.657%0.56533%0.327SS*.THydrogen-bonded Turntrans54.8-116.4-176.1-57168.31.300111.7P28 N30P28-Q87 VanDerWaalsContact CB-OE1 3.28Å; N30-Q87 VanDerWaalsContact CG-NE2 3.35Å; N30-Q87 PolarHBondContact ND2-NE2 3.36Å; N30-Q87 PolarHBondContact OD1-NE2 3.5Å; N30-Q87 PolarHBondContact OD1-OE1 2.85Å; N30-Q87 VanDerWaalsContact OD1-OE1 3.11Å
88S82.8Confident87.5Confident105 Ų10567.4 Ų67.473%0.73436%0.358SS*.THydrogen-bonded Turntrans-94.44.9178.759.30000113.8L86L86-S88 PolarHBondContact O-N 3.28Å
89K85.9Confident86Confident64 Ų6471.8 Ų71.828%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-123.3147.7-176.6-61.7-169.1-175.3-179.60112.1Y26 L27 R85 L86Y26-K89 VanDerWaalsContact O-CB 3.29Å; Y26-K89 WeakPolarHBondContact O-CB 3.26Å; Y26-K89 WeakPolarHBondContact O-CD 3.16Å; L27-K89 PolarHBondContact O-NZ 3.3Å; R85-K89 CarbonylContact C-O 3.49Å; R85-K89 WeakPolarHBondContact CA-O 3.17Å; L86-K89 CarbonylContact C-O 3.49Å; L86-K89 PolarHBondContact N-O 3.08Å; L86-K89 PolarHBondContact O-N 2.97Å
90T89.7Confident84.4Confident76 Ų7668.7 Ų68.747%0.46638%0.379SS..EExtended strand (participates in β ladder)trans-102.1116.1169.3-57.80000107.6Y26 G83 L84Y26-T90 WeakPolarHBondContact CB-O 3.34Å; G83-T90 VanDerWaalsContact O-CG2 3.28Å; G83-T90 WeakPolarHBondContact O-CG2 3.27Å; L84-T90 WeakPolarHBondContact O-CA 3.45Å
91I92Very high82.7Confident1 Ų171.9 Ų71.91%0.00539%0.388CS..  trans-72.9144.8-178.473.4-178.6000109.8V24 N25 L27 L39 L81 G83 L84 L86 V93V24-I91 HydrophobicContact CG1-CB 4.32Å; V24-I91 HydrophobicContact CG1-CD1 4.39Å; N25-I91 WeakPolarHBondContact O-CA 3.4Å; L27-I91 HydrophobicContact CD2-CB 4.46Å; L27-I91 HydrophobicContact CD2-CG2 3.85Å; L39-I91 HydrophobicContact CD2-CD1 4.22Å; L81-I91 WeakPolarHBondContact O-CG1 3.34Å; G83-I91 WeakPolarHBondContact CA-O 3.38Å; G83-I91 PolarHBondContact N-O 2.79Å; L84-I91 HydrophobicContact CB-CD1 3.94Å; L84-I91 HydrophobicContact CB-CG1 3.96Å; L84-I91 HydrophobicContact CD2-CD1 4.29Å; L84-I91 WeakPolarHBondContact O-CG1 3.43Å; L84-I91 PolarHBondContact O-N 3.33Å; L86-I91 HydrophobicContact CB-CG2 4.29Å; L86-I91 HydrophobicContact CD1-CD1 4.24Å; L86-I91 HydrophobicContact CD1-CG2 3.62Å; L86-I91 HydrophobicContact CG-CG2 3.9Å; I91-V93 HydrophobicContact CD1-CG2 4.24Å; I91-V93 HydrophobicContact CG1-CG2 4.29Å
92K90.4Very high80.9Confident75 Ų7575.6 Ų75.633%0.32641%0.411SS..EExtended strand (participates in β ladder)trans-114.3117.9173.5-177.5175-178.9170.30108.9V24 N25 Y26 N82V24-K92 CarbonylContact C-O 3.52Å; V24-K92 WeakPolarHBondContact CA-O 3.22Å; N25-K92 HydrophobicContact CB-CB 4.34Å; N25-K92 PolarHBondContact N-O 3.48Å; N25-K92 PolarHBondContact O-N 3.17Å; Y26-K92 HydrophobicContact CD2-CB 3.69Å; Y26-K92 HydrophobicContact CE2-CB 3.86Å; Y26-K92 HydrophobicContact CE2-CD 4.24Å; N82-K92 WeakPolarHBondContact OD1-CA 3.44Å
93V92.6Very high79.3Confident2 Ų273.1 Ų73.11%0.01240%0.397CS..EExtended strand (participates in β ladder)trans-105.9130.1178-168.90000108L22 V24 F40 I78 L81 N82 I91L22-V93 HydrophobicContact CB-CG1 4.35Å; L22-V93 HydrophobicContact CD1-CG1 3.85Å; V24-V93 HydrophobicContact CG1-CG2 4.23Å; F40-V93 HydrophobicContact CE1-CG1 3.88Å; F40-V93 HydrophobicContact CE1-CG2 4.29Å; F40-V93 HydrophobicContact CZ-CG1 4.17Å; F40-V93 HydrophobicContact CZ-CG2 3.82Å; I78-V93 HydrophobicContact CG1-CG1 3.95Å; L81-V93 HydrophobicContact CB-CG2 4.02Å; N82-V93 HydrophobicContact CB-CB 4.05Å; N82-V93 HydrophobicContact CB-CG2 4.48Å; N82-V93 PolarHBondContact OD1-N 3.27Å; N82-V93 PolarHBondContact OD1-O 3.22Å; I91-V93 HydrophobicContact CD1-CG2 4.24Å; I91-V93 HydrophobicContact CG1-CG2 4.29Å
94S89.6Confident78.1Confident38 Ų3876.2 Ų76.227%0.26640%0.398SS..EExtended strand (participates in β ladder)trans-151.9159.6178.650.80000109.6L22 I23 A96L22-S94 CarbonylContact C-O 3.55Å; L22-S94 WeakPolarHBondContact CA-O 3.44Å; I23-S94 WeakPolarHBondContact CG2-O 3.5Å; I23-S94 VanDerWaalsContact CG2-OG 3.32Å; I23-S94 WeakPolarHBondContact CG2-OG 3.44Å; I23-S94 PolarHBondContact N-O 3.32Å; I23-S94 PolarHBondContact O-N 3.4Å; I23-S94 VanDerWaalsContact O-N 3.09Å; S94-A96 PolarHBondContact O-N 3.21Å
95Y89.6Confident77Confident74 Ų7475.9 Ų75.929%0.2940%0.396SS..EExtended strand (participates in β ladder)trans-54.8128.9173.3-66.6-66.3000111.1R19 L22 E75 I78R19-Y95 HydrophobicContact CB-CD1 3.35Å; R19-Y95 HydrophobicContact CB-CE1 3.74Å; R19-Y95 HydrophobicContact CB-CG 3.99Å; R19-Y95 HydrophobicContact CG-CD1 4.4Å; R19-Y95 WeakPolarHBondContact O-CD1 3.31Å; R19-Y95 VanDerWaalsContact O-CE1 3.23Å; R19-Y95 WeakPolarHBondContact O-CE1 3.1Å; L22-Y95 HydrophobicContact CD2-CD1 3.62Å; L22-Y95 HydrophobicContact CD2-CE1 4Å; L22-Y95 HydrophobicContact CD2-CG 4.42Å; E75-Y95 WeakPolarHBondContact CB-OH 3.39Å; I78-Y95 HydrophobicContact CD1-CD1 3.66Å; I78-Y95 HydrophobicContact CD1-CD2 3.62Å; I78-Y95 HydrophobicContact CD1-CE1 3.48Å; I78-Y95 VanDerWaalsContact CD1-CE1 3.48Å; I78-Y95 HydrophobicContact CD1-CE2 3.46Å; I78-Y95 VanDerWaalsContact CD1-CE2 3.46Å; I78-Y95 HydrophobicContact CD1-CG 3.73Å
96A83.9Confident76.6Confident12 Ų1266.8 Ų66.810%0.09936%0.362CS..PPolyproline II helixtrans-68.7141.4173.200000108.9N21 I23 F65 S94N21-A96 HydrophobicContact CB-CB 3.93Å; N21-A96 VanDerWaalsContact CG-CB 3.44Å; N21-A96 WeakPolarHBondContact O-CB 3.33Å; N21-A96 PolarHBondContact O-N 2.77Å; N21-A96 WeakPolarHBondContact OD1-CB 3.24Å; I23-A96 HydrophobicContact CB-CB 4.2Å; F65-A96 HydrophobicContact CD1-CB 3.91Å; F65-A96 HydrophobicContact CE1-CB 4.18Å; S94-A96 PolarHBondContact O-N 3.21Å
97R76.1Confident76.7Confident89 Ų8966.7 Ų66.734%0.33636%0.362SS..PPolyproline II helixtrans-101.7139.7174.4-56.1-172.269.5-138.8-12.8108.2S99 D155R97-S99 PolarHBondContact O-N 2.97Å; R97-D155 IonicContact CZ-OD1 2.71Å; R97-D155 IonicContact CZ-OD2 3.55Å; R97-D155 IonicContact NE-OD1 2.96Å; R97-D155 PolarHBondContact NE-OD1 2.74Å; R97-D155 VanDerWaalsContact NH1-CG 3.26Å; R97-D155 PolarHBondContact NH1-O 3.48Å; R97-D155 IonicContact NH1-OD1 3.51Å; R97-D155 PolarHBondContact NH1-OD1 3Å; R97-D155 IonicContact NH1-OD2 2.63Å; R97-D155 IonicContact NH2-OD1 3.62Å; R97-D155 PolarHBondContact NH2-OD1 3.07Å; R97-D155 IonicContact NH2-OD2 3.69Å; R97-D155 PolarHBondContact NH2-OD2 3.01Å
98P67.6Low77Confident101 Ų10161 Ų6166%0.65634%0.335SS*.PPolyproline II helixtrans-56.1128.1173.622.8-31.1000108.3S100 I103P98-S100 VanDerWaalsContact C-N 3.29Å; P98-S100 PolarHBondContact O-N 2.8Å; P98-I103 WeakPolarHBondContact O-CD1 3.14Å
99S61Low77.4Confident113 Ų11358.8 Ų58.879%0.7931%0.311SS*.  trans-73.883.1-177.154.20000110.3R97R97-S99 PolarHBondContact O-N 2.97Å
100S57.9Low77.7Confident59 Ų5955.8 Ų55.841%0.41330%0.298SS..  trans-84.2143.7168.3-76.80000110.4P98 V102 I103P98-S100 VanDerWaalsContact C-N 3.29Å; P98-S100 PolarHBondContact O-N 2.8Å; S100-V102 PolarHBondContact O-N 2.74Å; S100-V102 VanDerWaalsContact O-N 3.15Å; S100-I103 WeakPolarHBondContact O-CB 3.36Å; S100-I103 PolarHBondContact O-N 2.77Å
101E53.1Low77.6Confident157 Ų15753.3 Ų53.373%0.73428%0.284SS*.G310 helixtrans-58.2-26.2175.1-65.5-171.6147.200112.3I103 K104E101-I103 PolarHBondContact O-N 2.97Å; E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3Å; E101-K104 IonicContact OE1-NZ 3.89Å
102V54.3Low77.3Confident88 Ų8854.1 Ų54.153%0.53329%0.292SS..G310 helixtrans-65-18.6173.7-163.30000113.5S100 R157S100-V102 PolarHBondContact O-N 2.74Å; S100-V102 VanDerWaalsContact O-N 3.15Å; V102-R157 WeakPolarHBondContact O-CB 3.45Å; V102-R157 PolarHBondContact O-N 3.48Å
103I59.5Low77.1Confident25 Ų2551.1 Ų51.113%0.12828%0.28CS..G310 helixtrans-100.4-7.8-178.3-44.6172.4000110.8P98 S100 E101P98-I103 WeakPolarHBondContact O-CD1 3.14Å; S100-I103 WeakPolarHBondContact O-CB 3.36Å; S100-I103 PolarHBondContact O-N 2.77Å; E101-I103 PolarHBondContact O-N 2.97Å
104K62.5Low76.7Confident110 Ų11051.7 Ų51.748%0.47828%0.283SS..THydrogen-bonded Turntrans-74.8135.2169.7-60.8176.6-174.5168.30107.6E101E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3Å; E101-K104 IonicContact OE1-NZ 3.89Å
105D67.3Low76.4Confident54 Ų5458 Ų5829%0.28930%0.301SS..THydrogen-bonded Turntrans70.626177.1-45.2-38.4000117.3N107 R157 F183D105-N107 PolarHBondContact O-N 3.49Å; D105-R157 IonicContact OD2-NH1 3.76Å; D105-F183 WeakPolarHBondContact O-CD1 3.23Å; D105-F183 WeakPolarHBondContact O-CE1 3.43Å
106A82.9Confident76.2Confident0 Ų059.4 Ų59.40%032%0.322CS..  trans-82.816.6168.900000113.8R153 F154A106-R153 WeakPolarHBondContact O-CA 3.38Å; A106-F154 HydrophobicContact CB-CB 4.31Å; A106-F154 WeakPolarHBondContact CB-O 3.42Å; A106-F154 PolarHBondContact O-N 2.83Å
107N88.4Confident76.2Confident37 Ų3759.7 Ų59.720%0.19832%0.322CS..EExtended strand (participates in β ladder)trans-90.5124.3178.5-63.3-23.9000109D105 I152 R153 F183 A184 N186D105-N107 PolarHBondContact O-N 3.49Å; N107-I152 CarbonylContact C-O 3.52Å; N107-I152 WeakPolarHBondContact CA-O 3.45Å; N107-R153 WeakPolarHBondContact OD1-CB 2.9Å; N107-R153 WeakPolarHBondContact OD1-CD 3.5Å; N107-R153 WeakPolarHBondContact OD1-CG 3.3Å; N107-R153 PolarHBondContact OD1-NE 2.93Å; N107-F183 WeakPolarHBondContact O-CA 3.41Å; N107-A184 HydrophobicContact CB-CB 3.87Å; N107-A184 PolarHBondContact O-N 2.88Å; N107-N186 PolarHBondContact ND2-OD1 2.76Å
108L90.4Very high76.7Confident0 Ų058.7 Ų58.70%033%0.326CS..EExtended strand (participates in β ladder)trans-105.5140.4174.6-60.7-170.8000111.2F151 I152 F154 A160 A163 I164 V181 K182 F183L108-F151 VanDerWaalsContact O-CA 3.27Å; L108-F151 WeakPolarHBondContact O-CA 3.25Å; L108-I152 PolarHBondContact N-O 3.27Å; L108-I152 PolarHBondContact O-N 2.93Å; L108-F154 HydrophobicContact CD1-CD2 3.81Å; L108-F154 HydrophobicContact CD1-CE2 3.53Å; L108-F154 HydrophobicContact CG-CD2 4.18Å; L108-F154 HydrophobicContact CG-CE2 4.33Å; L108-A160 HydrophobicContact CD1-CB 4.21Å; L108-A160 HydrophobicContact CD2-CB 3.82Å; L108-A160 HydrophobicContact CG-CB 3.99Å; L108-A163 HydrophobicContact CD1-CB 3.8Å; L108-I164 HydrophobicContact CD1-CG1 4.33Å; L108-I164 HydrophobicContact CD2-CD1 3.48Å; L108-I164 VanDerWaalsContact CD2-CD1 3.48Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å; L108-V181 HydrophobicContact CB-CG1 4.4Å; L108-V181 HydrophobicContact CD1-CG1 3.77Å; L108-K182 CarbonylContact C-O 3.57Å; L108-K182 WeakPolarHBondContact CA-O 3.41Å; L108-F183 HydrophobicContact CD2-CD1 3.98Å; L108-F183 HydrophobicContact CD2-CE1 4.27Å
109Y91.1Very high77.7Confident60 Ų6058.3 Ų58.324%0.23532%0.315CS..EExtended strand (participates in β ladder)trans-103.5126.4165.7173.8-87000108.1S111 V149 F151 K182Y109-S111 VanDerWaalsContact CE1-CB 3.48Å; Y109-S111 WeakPolarHBondContact CE1-OG 3.43Å; Y109-V149 HydrophobicContact CD2-CG1 4.03Å; Y109-V149 HydrophobicContact CE2-CG1 3.31Å; Y109-F151 HydrophobicContact CD2-CD1 4.37Å; Y109-F151 AromaticContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE2 4.25Å; Y109-F151 AromaticContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CE2-CZ 4.03Å; Y109-F151 HydrophobicContact CG-CE1 4.48Å; Y109-K182 HydrophobicContact CD1-CD 4.21Å; Y109-K182 HydrophobicContact CD1-CG 3.94Å; Y109-K182 HydrophobicContact CG-CG 4.46Å; Y109-K182 PolarHBondContact N-O 3.37Å; Y109-K182 PolarHBondContact O-N 3.05Å
110I90.8Very high79Confident0 Ų059.8 Ų59.80%031%0.307CS..EExtended strand (participates in β ladder)trans-121124.5-178.2-57.2154.2000107.1L113 V122 F126 V149 A150 I152 I179 T180 V181I110-L113 HydrophobicContact CB-CD1 4.31Å; I110-L113 HydrophobicContact CG2-CD1 3.74Å; I110-L113 HydrophobicContact CG2-CD2 3.76Å; I110-L113 HydrophobicContact CG2-CG 3.75Å; I110-V122 HydrophobicContact CD1-CG1 4.44Å; I110-F126 HydrophobicContact CD1-CD1 4.31Å; I110-F126 HydrophobicContact CD1-CD2 4.24Å; I110-F126 HydrophobicContact CD1-CE1 3.86Å; I110-F126 HydrophobicContact CD1-CE2 3.78Å; I110-F126 HydrophobicContact CD1-CG 4.49Å; I110-F126 HydrophobicContact CD1-CZ 3.58Å; I110-F126 HydrophobicContact CG1-CE1 4.24Å; I110-F126 HydrophobicContact CG1-CE2 4.48Å; I110-F126 HydrophobicContact CG1-CZ 3.9Å; I110-F126 HydrophobicContact CG2-CE2 4.41Å; I110-F126 HydrophobicContact CG2-CZ 4.13Å; I110-V149 CarbonylContact O-C 3.53Å; I110-V149 VanDerWaalsContact O-CA 3.22Å; I110-V149 WeakPolarHBondContact O-CA 3.3Å; I110-A150 HydrophobicContact CB-CB 4.36Å; I110-A150 HydrophobicContact CD1-CB 4.48Å; I110-A150 PolarHBondContact N-O 2.94Å; I110-A150 PolarHBondContact O-N 3.37Å; I110-I152 HydrophobicContact CD1-CB 4.11Å; I110-I152 HydrophobicContact CD1-CD1 3.35Å; I110-I152 HydrophobicContact CD1-CG1 3.57Å; I110-I179 HydrophobicContact CG2-CG2 3.43Å; I110-I179 VanDerWaalsContact CG2-CG2 3.43Å; I110-T180 CarbonylContact C-O 3.52Å; I110-T180 VanDerWaalsContact CA-O 3.28Å; I110-T180 WeakPolarHBondContact CA-O 3.49Å; I110-V181 HydrophobicContact CG1-CG1 4.12Å; I110-V181 HydrophobicContact CG1-CG2 4.34Å; I110-V181 HydrophobicContact CG2-CG2 4.35Å
111S89.6Confident80.5Confident24 Ų2460.4 Ų60.417%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-129.9161.1175.356.90000111.9Y109 G148 I179 T180Y109-S111 VanDerWaalsContact CE1-CB 3.48Å; Y109-S111 WeakPolarHBondContact CE1-OG 3.43Å; S111-G148 CarbonylContact C-O 3.6Å; S111-G148 WeakPolarHBondContact CA-O 3.19Å; S111-I179 CarbonylContact O-C 3.5Å; S111-I179 VanDerWaalsContact O-CA 3.31Å; S111-I179 WeakPolarHBondContact O-CA 3.45Å; S111-T180 PolarHBondContact N-O 2.91Å; S111-T180 PolarHBondContact O-N 2.75Å
112G85.3Confident82.2Confident18 Ų1853 Ų5319%0.18627%0.271CS..SBendtrans82.120.9-174.900000112.5G148G112-G148 PolarHBondContact N-O 3.48Å
113L86.8Confident83.9Confident12 Ų1252.4 Ų52.46%0.06326%0.263CS..  trans-75.3142.6172.8-63.7169.2000110.2I110 M117 V122 G148 A150 I179I110-L113 HydrophobicContact CB-CD1 4.31Å; I110-L113 HydrophobicContact CG2-CD1 3.74Å; I110-L113 HydrophobicContact CG2-CD2 3.76Å; I110-L113 HydrophobicContact CG2-CG 3.75Å; L113-M117 HydrophobicContact CB-SD 4.49Å; L113-M117 HydrophobicContact CD2-SD 3.76Å; L113-V122 HydrophobicContact CD1-CG2 3.78Å; L113-V122 HydrophobicContact CD2-CG2 4.47Å; L113-G148 PolarHBondContact N-O 3.23Å; L113-G148 WeakPolarHBondContact O-CA 3.5Å; L113-A150 HydrophobicContact CD1-CB 3.46Å; L113-A150 VanDerWaalsContact CD1-CB 3.46Å; L113-I179 HydrophobicContact CD2-CD1 3.8Å; L113-I179 HydrophobicContact CD2-CG1 3.97Å; L113-I179 HydrophobicContact CD2-CG2 4.28Å
114P84.1Confident85.3Confident14 Ų1455.6 Ų55.69%0.09128%0.28CS..  trans-56.3143.4172.8-17.225.4000111.3S116 M117 P172P114-S116 PolarHBondContact O-N 3.45Å; P114-M117 HydrophobicContact CB-CB 4.29Å; P114-M117 HydrophobicContact CG-CB 4.41Å; P114-M117 VanDerWaalsContact O-CB 3.25Å; P114-M117 WeakPolarHBondContact O-CB 3.27Å; P114-M117 PolarHBondContact O-N 3.41Å; P114-P172 HydrophobicContact CG-CB 4.31Å; P114-P172 HydrophobicContact CG-CG 3.89Å
115R83.1Confident86.5Confident170 Ų17052.4 Ų52.464%0.64227%0.268SS*.THydrogen-bonded Turntrans-65.9-22.7178-63.6-175.9-178.1-106.98.1113.2M117 S146R115-M117 VanDerWaalsContact C-N 3.27Å; R115-S146 PolarHBondContact NH1-O 3.29Å; R115-S146 WeakPolarHBondContact O-CB 3.46Å; R115-S146 PolarHBondContact O-OG 2.63Å
116S83.8Confident87.5Confident105 Ų10549.8 Ų49.873%0.73425%0.254SS*.THydrogen-bonded Turntrans-74.8-15.2173.450.40000113.5P114P114-S116 PolarHBondContact O-N 3.45Å
117M83.8Confident87.8Confident17 Ų1752.6 Ų52.68%0.08427%0.273CS..  trans-78.9125.7-174-159.6173.1179.200110.7L113 P114 R115 D121 V122 M125L113-M117 HydrophobicContact CB-SD 4.49Å; L113-M117 HydrophobicContact CD2-SD 3.76Å; P114-M117 HydrophobicContact CB-CB 4.29Å; P114-M117 HydrophobicContact CG-CB 4.41Å; P114-M117 VanDerWaalsContact O-CB 3.25Å; P114-M117 WeakPolarHBondContact O-CB 3.27Å; P114-M117 PolarHBondContact O-N 3.41Å; R115-M117 VanDerWaalsContact C-N 3.27Å; M117-D121 HydrophobicContact CE-CB 3.85Å; M117-D121 WeakPolarHBondContact CE-O 3.23Å; M117-D121 HydrophobicContact CG-CB 3.65Å; M117-V122 HydrophobicContact CE-CB 4.33Å; M117-V122 HydrophobicContact CE-CG2 3.73Å; M117-V122 HydrophobicContact CG-CG2 3.95Å; M117-V122 HydrophobicContact SD-CG2 3.89Å; M117-M125 HydrophobicContact CE-CB 4.22Å; M117-M125 HydrophobicContact CE-CE 3.29Å; M117-M125 HydrophobicContact CE-SD 3.73Å; M117-M125 HydrophobicContact SD-CE 4.29Å
118T87.8Confident87.8Confident69 Ų6959.8 Ų59.842%0.42330%0.298SS..  trans-90.1168.3-179.370.50000111.7K120 D121 V122T118-K120 PolarHBondContact O-N 2.86Å; T118-K120 PolarHBondContact OG1-N 3.09Å; T118-D121 WeakPolarHBondContact CB-OD2 3.31Å; T118-D121 PolarHBondContact N-OD2 2.83Å; T118-D121 PolarHBondContact O-N 2.97Å; T118-D121 PolarHBondContact OG1-N 3.31Å; T118-D121 PolarHBondContact OG1-OD2 2.84Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 2.75Å; T118-V122 VanDerWaalsContact O-N 3.09Å
119Q88.3Confident87.6Confident93 Ų9361.3 Ų61.344%0.43530%0.304SS..Hα-helixtrans-56.5-38.8173.1179-178.8-17.100112.2V122 E123 S135 V137Q119-V122 PolarHBondContact O-N 2.73Å; Q119-E123 WeakPolarHBondContact O-CB 3.44Å; Q119-E123 PolarHBondContact O-N 3.4Å; Q119-S135 WeakPolarHBondContact CG-OG 3.45Å; Q119-S135 PolarHBondContact NE2-O 2.9Å; Q119-S135 PolarHBondContact NE2-OG 2.77Å; Q119-V137 HydrophobicContact CB-CB 4.47Å; Q119-V137 HydrophobicContact CB-CG2 3.94Å
120K88.1Confident87.4Confident143 Ų14359.1 Ų59.162%0.62230%0.3SS*.Hα-helixtrans-65.8-44.5179-177.9167.7179.2159.40111.5T118 V122 E123 D124T118-K120 PolarHBondContact O-N 2.86Å; T118-K120 PolarHBondContact OG1-N 3.09Å; K120-V122 VanDerWaalsContact C-N 3.26Å; K120-V122 PolarHBondContact O-N 3.11Å; K120-E123 WeakPolarHBondContact O-CB 3.22Å; K120-E123 PolarHBondContact O-N 2.68Å; K120-E123 VanDerWaalsContact O-N 3.12Å; K120-D124 PolarHBondContact O-N 2.78Å
121D88.9Confident87.2Confident72 Ų7266.8 Ų66.839%0.38533%0.329SS..Hα-helixtrans-60.8-39.1177.2-54.8-48.2000111.6M117 T118 M125M117-D121 HydrophobicContact CE-CB 3.85Å; M117-D121 WeakPolarHBondContact CE-O 3.23Å; M117-D121 HydrophobicContact CG-CB 3.65Å; T118-D121 WeakPolarHBondContact CB-OD2 3.31Å; T118-D121 PolarHBondContact N-OD2 2.83Å; T118-D121 PolarHBondContact O-N 2.97Å; T118-D121 PolarHBondContact OG1-N 3.31Å; T118-D121 PolarHBondContact OG1-OD2 2.84Å; D121-M125 VanDerWaalsContact O-CB 3.28Å; D121-M125 WeakPolarHBondContact O-CB 3.28Å; D121-M125 PolarHBondContact O-N 3.48Å
122V88.7Confident87.2Confident1 Ų167.1 Ų67.11%0.00633%0.328CS..Hα-helixtrans-67.5-41.5176.9172.30000110.5I110 L113 M117 T118 Q119 K120 M125 F126 V137 A150 I152I110-V122 HydrophobicContact CD1-CG1 4.44Å; L113-V122 HydrophobicContact CD1-CG2 3.78Å; L113-V122 HydrophobicContact CD2-CG2 4.47Å; M117-V122 HydrophobicContact CE-CB 4.33Å; M117-V122 HydrophobicContact CE-CG2 3.73Å; M117-V122 HydrophobicContact CG-CG2 3.95Å; M117-V122 HydrophobicContact SD-CG2 3.89Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 2.75Å; T118-V122 VanDerWaalsContact O-N 3.09Å; Q119-V122 PolarHBondContact O-N 2.73Å; K120-V122 VanDerWaalsContact C-N 3.26Å; K120-V122 PolarHBondContact O-N 3.11Å; V122-M125 PolarHBondContact O-N 2.82Å; V122-F126 HydrophobicContact CG1-CD2 4.2Å; V122-F126 VanDerWaalsContact O-CD2 3.29Å; V122-F126 WeakPolarHBondContact O-CD2 3.36Å; V122-F126 PolarHBondContact O-N 2.84Å; V122-F126 VanDerWaalsContact O-N 3.15Å; V122-V137 HydrophobicContact CG2-CG2 4.13Å; V122-A150 HydrophobicContact CG1-CB 4Å; V122-I152 HydrophobicContact CG1-CD1 3.6Å; V122-I152 HydrophobicContact CG1-CG1 4.12Å
123E90.4Very high87.1Confident77 Ų7769.1 Ų69.136%0.3634%0.335SS..Hα-helixtrans-63.1-47.9176.2-170.3168.7153.100111.8Q119 K120 M125 F126 S127 I132 S135Q119-E123 WeakPolarHBondContact O-CB 3.44Å; Q119-E123 PolarHBondContact O-N 3.4Å; K120-E123 WeakPolarHBondContact O-CB 3.22Å; K120-E123 PolarHBondContact O-N 2.68Å; K120-E123 VanDerWaalsContact O-N 3.12Å; E123-M125 VanDerWaalsContact C-N 3.28Å; E123-M125 PolarHBondContact O-N 2.64Å; E123-F126 PolarHBondContact O-N 2.89Å; E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 3.2Å; E123-S127 PolarHBondContact O-OG 2.88Å; E123-I132 HydrophobicContact CB-CD1 4.43Å; E123-I132 HydrophobicContact CG-CD1 3.87Å; E123-I132 WeakPolarHBondContact O-CD1 3.3Å; E123-S135 PolarHBondContact OE2-OG 3.24Å
124D88.9Confident87Confident92 Ų9271 Ų7149%0.49235%0.345SS..Hα-helixtrans-63.4-33.5178.4-72.6-29.2000112.4K120 S127K120-D124 PolarHBondContact O-N 2.78Å; D124-S127 PolarHBondContact O-OG 2.79Å
125M87.3Confident87.2Confident42 Ų4270.9 Ų70.921%0.20734%0.344CS..Hα-helixtrans-69.4-39.4176.9-178.6177.2-71.600112.6M117 D121 V122 E123 R128 F167 I179M117-M125 HydrophobicContact CE-CB 4.22Å; M117-M125 HydrophobicContact CE-CE 3.29Å; M117-M125 HydrophobicContact CE-SD 3.73Å; M117-M125 HydrophobicContact SD-CE 4.29Å; D121-M125 VanDerWaalsContact O-CB 3.28Å; D121-M125 WeakPolarHBondContact O-CB 3.28Å; D121-M125 PolarHBondContact O-N 3.48Å; V122-M125 PolarHBondContact O-N 2.82Å; E123-M125 VanDerWaalsContact C-N 3.28Å; E123-M125 PolarHBondContact O-N 2.64Å; M125-R128 WeakPolarHBondContact O-CG 3.47Å; M125-F167 HydrophobicContact CE-CE1 4.45Å; M125-F167 HydrophobicContact CG-CD1 4.24Å; M125-F167 HydrophobicContact CG-CE1 3.39Å; M125-F167 HydrophobicContact CG-CZ 3.59Å; M125-F167 HydrophobicContact SD-CD1 3.98Å; M125-F167 HydrophobicContact SD-CE1 3.36Å; M125-F167 WeakPolarHBondContact SD-CE1 3.46Å; M125-F167 HydrophobicContact SD-CZ 4.19Å; M125-I179 HydrophobicContact SD-CD1 4.37Å
126F88.4Confident87.5Confident0 Ų069.8 Ų69.80%034%0.34CS..Hα-helixtrans-96.9-16.7-173.4-80.4-96.2000113.5I110 V122 E123 R128 F129 I132 I152 F154 A163 F167 V181I110-F126 HydrophobicContact CD1-CD1 4.31Å; I110-F126 HydrophobicContact CD1-CD2 4.24Å; I110-F126 HydrophobicContact CD1-CE1 3.86Å; I110-F126 HydrophobicContact CD1-CE2 3.78Å; I110-F126 HydrophobicContact CD1-CG 4.49Å; I110-F126 HydrophobicContact CD1-CZ 3.58Å; I110-F126 HydrophobicContact CG1-CE1 4.24Å; I110-F126 HydrophobicContact CG1-CE2 4.48Å; I110-F126 HydrophobicContact CG1-CZ 3.9Å; I110-F126 HydrophobicContact CG2-CE2 4.41Å; I110-F126 HydrophobicContact CG2-CZ 4.13Å; V122-F126 HydrophobicContact CG1-CD2 4.2Å; V122-F126 VanDerWaalsContact O-CD2 3.29Å; V122-F126 WeakPolarHBondContact O-CD2 3.36Å; V122-F126 PolarHBondContact O-N 2.84Å; V122-F126 VanDerWaalsContact O-N 3.15Å; E123-F126 PolarHBondContact O-N 2.89Å; F126-R128 PolarHBondContact O-N 3.46Å; F126-R128 VanDerWaalsContact O-N 3.16Å; F126-F129 HydrophobicContact CD1-CD2 4.46Å; F126-F129 PolarHBondContact O-N 2.88Å; F126-F129 VanDerWaalsContact O-N 3.11Å; F126-I132 HydrophobicContact CB-CD1 3.91Å; F126-I152 HydrophobicContact CB-CD1 3.4Å; F126-I152 VanDerWaalsContact CB-CD1 3.4Å; F126-I152 HydrophobicContact CD1-CD1 3.89Å; F126-I152 HydrophobicContact CD2-CD1 3.58Å; F126-I152 HydrophobicContact CE2-CD1 4.3Å; F126-I152 HydrophobicContact CG-CD1 3.34Å; F126-F154 HydrophobicContact CB-CZ 3.99Å; F126-F154 HydrophobicContact CD1-CE2 4.31Å; F126-F154 HydrophobicContact CD1-CZ 4.19Å; F126-F154 WeakPolarHBondContact O-CE1 3.5Å; F126-F154 WeakPolarHBondContact O-CZ 3.48Å; F126-A163 HydrophobicContact CD1-CB 4.1Å; F126-A163 HydrophobicContact CE1-CB 4.33Å; F126-F167 HydrophobicContact CE1-CB 4.23Å; F126-F167 HydrophobicContact CZ-CB 4.23Å; F126-F167 HydrophobicContact CZ-CD1 4.33Å; F126-F167 HydrophobicContact CZ-CG 4.38Å; F126-V181 HydrophobicContact CE1-CG1 4.13Å; F126-V181 HydrophobicContact CE1-CG2 4.08Å; F126-V181 HydrophobicContact CZ-CG2 3.87Å
127S89.2Confident87.8Confident59 Ų5965.8 Ų65.841%0.41331%0.311SS..G310 helixtrans-62.4-21.5-18061.30000113.3E123 D124 F129 G130E123-S127 WeakPolarHBondContact O-CB 3.27Å; E123-S127 PolarHBondContact O-N 3.2Å; E123-S127 PolarHBondContact O-OG 2.88Å; D124-S127 PolarHBondContact O-OG 2.79Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.23Å; S127-G130 PolarHBondContact O-N 3.4Å; S127-G130 VanDerWaalsContact O-O 3.04Å
128R88.8Confident87.9Confident187 Ų18767.3 Ų67.371%0.70632%0.319SS*.G310 helixtrans-66.1-22.8174.666.517951.5-163.9-9.1114.6M125 F126M125-R128 WeakPolarHBondContact O-CG 3.47Å; F126-R128 PolarHBondContact O-N 3.46Å; F126-R128 VanDerWaalsContact O-N 3.16Å
129F87.6Confident87.9Confident33 Ų3367.7 Ų67.715%0.14532%0.321CS..G310 helixtrans-88.7-18.9-178.7-63.8-69.8000113F126 S127 F154 E159 E162 A163 N166 F167F126-F129 HydrophobicContact CD1-CD2 4.46Å; F126-F129 PolarHBondContact O-N 2.88Å; F126-F129 VanDerWaalsContact O-N 3.11Å; S127-F129 VanDerWaalsContact C-N 3.26Å; S127-F129 PolarHBondContact O-N 3.23Å; F129-F154 HydrophobicContact CB-CE1 4.17Å; F129-F154 HydrophobicContact CB-CZ 4.13Å; F129-E159 WeakPolarHBondContact O-CB 3.42Å; F129-E162 HydrophobicContact CD1-CB 4.43Å; F129-A163 HydrophobicContact CB-CB 4Å; F129-A163 HydrophobicContact CD2-CB 3.94Å; F129-A163 HydrophobicContact CG-CB 3.88Å; F129-N166 HydrophobicContact CE1-CB 3.63Å; F129-N166 HydrophobicContact CZ-CB 3.82Å; F129-F167 HydrophobicContact CD2-CD2 4.4Å; F129-F167 HydrophobicContact CE1-CD2 4.4Å; F129-F167 AromaticContact CE2-CD2 3.16Å; F129-F167 HydrophobicContact CE2-CD2 3.16Å; F129-F167 AromaticContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CG 4.24Å; F129-F167 HydrophobicContact CE2-CZ 4.29Å; F129-F167 AromaticContact CZ-CD2 3.18Å; F129-F167 HydrophobicContact CZ-CD2 3.18Å; F129-F167 AromaticContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CG 4.47Å
130G86.6Confident87.7Confident14 Ų1465.2 Ų65.214%0.14431%0.311CS..SBendtrans166.3174.4-174.700000112.2S127 I132S127-G130 PolarHBondContact O-N 3.4Å; S127-G130 VanDerWaalsContact O-O 3.04Å; G130-I132 PolarHBondContact O-N 3.25Å
131R86.4Confident87.2Confident160 Ų16067.6 Ų67.660%0.60432%0.324SS*.  trans-74.9117.5-178.6-179.4179.5-69-127.33.1109.5D155R131-D155 HydrophobicContact CB-CB 3.89Å; R131-D155 HydrophobicContact CG-CB 4.46Å; R131-D155 WeakPolarHBondContact O-CB 3.39Å; R131-D155 PolarHBondContact O-N 2.86Å
132I88.9Confident86.8Confident31 Ų3170.2 Ų70.216%0.15934%0.343CS..EExtended strand (participates in β ladder)trans-80.4123.5177.3-64.7171.3000109.6E123 F126 G130 I152 F154E123-I132 HydrophobicContact CB-CD1 4.43Å; E123-I132 HydrophobicContact CG-CD1 3.87Å; E123-I132 WeakPolarHBondContact O-CD1 3.3Å; F126-I132 HydrophobicContact CB-CD1 3.91Å; G130-I132 PolarHBondContact O-N 3.25Å; I132-I152 HydrophobicContact CD1-CD1 4.48Å; I132-I152 HydrophobicContact CD1-CG2 4.19Å; I132-I152 HydrophobicContact CG1-CG2 3.93Å; I132-I152 HydrophobicContact CG2-CG2 4Å; I132-F154 HydrophobicContact CG1-CD1 4.25Å; I132-F154 HydrophobicContact CG1-CE1 3.84Å; I132-F154 HydrophobicContact CG1-CZ 4.34Å
133I83.9Confident86.5Confident61 Ų6174.3 Ų74.331%0.31337%0.368SS..EExtended strand (participates in β ladder)trans-87.1-35.7176.2-60.6-58.9000111.5R153 D155I133-R153 HydrophobicContact CB-CB 4.45Å; I133-R153 HydrophobicContact CB-CG 4.17Å; I133-R153 WeakPolarHBondContact CB-O 3.26Å; I133-R153 PolarHBondContact N-O 2.95Å; I133-D155 HydrophobicContact CD1-CB 4.26Å; I133-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I133-D155 HydrophobicContact CG1-CB 4.3Å
134N84.8Confident85.9Confident51 Ų5173.2 Ų73.227%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-153.7130.3179.8-164.5-67.2000109.6I152 R153N134-I152 CarbonylContact O-C 3.55Å; N134-I152 WeakPolarHBondContact O-CA 3.3Å; N134-R153 HydrophobicContact CB-CB 4.05Å; N134-R153 PolarHBondContact N-O 3.24Å; N134-R153 PolarHBondContact O-N 3.05Å
135S88.4Confident85.5Confident11 Ų1173.4 Ų73.48%0.07738%0.378CS..EExtended strand (participates in β ladder)trans-115.3139.7168.959.80000108Q119 E123 F151Q119-S135 WeakPolarHBondContact CG-OG 3.45Å; Q119-S135 PolarHBondContact NE2-O 2.9Å; Q119-S135 PolarHBondContact NE2-OG 2.77Å; E123-S135 PolarHBondContact OE2-OG 3.24Å; S135-F151 CarbonylContact C-O 3.54Å
136R88.3Confident85.4Confident148 Ų14872.3 Ų72.356%0.55838%0.375SS*.EExtended strand (participates in β ladder)trans-149.5119.6173.5-178.1178.5175.8177-0.2110.9A150 F151R136-A150 CarbonylContact O-C 3.56Å; R136-A150 VanDerWaalsContact O-CA 3.26Å; R136-A150 WeakPolarHBondContact O-CA 3.45Å; R136-F151 PolarHBondContact N-O 3.44Å; R136-F151 PolarHBondContact O-N 2.81Å
137V89.4Confident85.2Confident20 Ų2079.6 Ų79.612%0.12140%0.402CS..EExtended strand (participates in β ladder)trans-89.5135.7169.21770000109.4Q119 V122 A150Q119-V137 HydrophobicContact CB-CB 4.47Å; Q119-V137 HydrophobicContact CB-CG2 3.94Å; V122-V137 HydrophobicContact CG2-CG2 4.13Å; V137-A150 HydrophobicContact CG2-CB 3.99Å
138L87.1Confident85.1Confident49 Ų4977.2 Ų77.226%0.25739%0.386SS..EExtended strand (participates in β ladder)trans-83.3116.6173.4-91.862.4000108.9R147 V149 F151L138-R147 HydrophobicContact CB-CB 4.39Å; L138-R147 WeakPolarHBondContact O-CB 3.35Å; L138-R147 PolarHBondContact O-N 3.08Å; L138-V149 HydrophobicContact CB-CB 4.32Å; L138-V149 HydrophobicContact CD2-CG1 4.24Å; L138-V149 PolarHBondContact N-O 3.03Å; L138-F151 HydrophobicContact CD1-CD2 3.33Å; L138-F151 HydrophobicContact CD1-CE2 3.35Å; L138-F151 HydrophobicContact CD2-CE2 3.85Å; L138-F151 HydrophobicContact CG-CE2 4.24Å
139V86.6Confident85.1Confident77 Ų7769.1 Ų69.147%0.46736%0.358SS..EExtended strand (participates in β ladder)trans-100147.2168.7-61.80000109.5Q141 L145V139-Q141 PolarHBondContact O-N 3.18Å; V139-L145 CarbonylContact C-O 3.49Å; V139-L145 WeakPolarHBondContact CA-O 3.37Å
140D84.2Confident85.3Confident42 Ų4267.5 Ų67.523%0.22535%0.351CS..PPolyproline II helixtrans-69.4124.8170.3-171-72.3000108.7T142 T143 G144 L145 R147D140-T142 PolarHBondContact O-N 3.06Å; D140-T142 WeakPolarHBondContact OD1-CB 3.18Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å; D140-T143 WeakPolarHBondContact CB-OG1 3.29Å; D140-T143 PolarHBondContact OD1-N 2.88Å; D140-T143 VanDerWaalsContact OD1-N 3.14Å; D140-T143 PolarHBondContact OD1-OG1 3Å; D140-G144 WeakPolarHBondContact O-CA 3.34Å; D140-G144 PolarHBondContact O-N 3.35Å; D140-L145 WeakPolarHBondContact CB-O 3.39Å; D140-L145 PolarHBondContact N-O 3.06Å; D140-R147 HydrophobicContact CB-CG 4.09Å
141Q78.2Confident85.6Confident192 Ų19270.3 Ų70.390%0.89736%0.359SS*.THydrogen-bonded Turntrans-69.3-21.9-174.7-72.8-179.1-20.400113.2V139V139-Q141 PolarHBondContact O-N 3.18Å
142T80.8Confident85.8Confident128 Ų12862.8 Ų62.879%0.78533%0.331SS*.THydrogen-bonded Turntrans-88.4-40.7-178.362.60000111.9D140D140-T142 PolarHBondContact O-N 3.06Å; D140-T142 WeakPolarHBondContact OD1-CB 3.18Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å
143T81.6Confident85.8Confident87 Ų8766.1 Ų66.153%0.53434%0.341SS..THydrogen-bonded Turntrans-101.7-12.9-175.458.10000113.5D140 L145D140-T143 WeakPolarHBondContact CB-OG1 3.29Å; D140-T143 PolarHBondContact OD1-N 2.88Å; D140-T143 VanDerWaalsContact OD1-N 3.14Å; D140-T143 PolarHBondContact OD1-OG1 3Å; T143-L145 PolarHBondContact O-N 3.37Å; T143-L145 VanDerWaalsContact O-N 3.13Å
144G78.6Confident86Confident54 Ų5463.2 Ų63.256%0.55733%0.326SS*.  trans69.3-1-17300000114.1D140D140-G144 WeakPolarHBondContact O-CA 3.34Å; D140-G144 PolarHBondContact O-N 3.35Å
145L80.6Confident85.9Confident96 Ų9661.8 Ų61.850%0.50332%0.319SS..  trans-81.3142.7-176.1-67.7172.2000111.4V139 D140 T143 R147V139-L145 CarbonylContact C-O 3.49Å; V139-L145 WeakPolarHBondContact CA-O 3.37Å; D140-L145 WeakPolarHBondContact CB-O 3.39Å; D140-L145 PolarHBondContact N-O 3.06Å; T143-L145 PolarHBondContact O-N 3.37Å; T143-L145 VanDerWaalsContact O-N 3.13Å; L145-R147 PolarHBondContact O-N 3Å
146S84.7Confident85.7Confident19 Ų1966.3 Ų66.313%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-56.7132.3172.9-63.40000111.1R115 G148R115-S146 PolarHBondContact NH1-O 3.29Å; R115-S146 WeakPolarHBondContact O-CB 3.46Å; R115-S146 PolarHBondContact O-OG 2.63Å; S146-G148 PolarHBondContact O-N 3.28Å
147R85.3Confident85.6Confident153 Ų15363.2 Ų63.258%0.57733%0.326SS*.EExtended strand (participates in β ladder)trans-78.83.3174.5-65.1-17763.1136.4-0.2112.8L138 D140 L145 V149L138-R147 HydrophobicContact CB-CB 4.39Å; L138-R147 WeakPolarHBondContact O-CB 3.35Å; L138-R147 PolarHBondContact O-N 3.08Å; D140-R147 HydrophobicContact CB-CG 4.09Å; L145-R147 PolarHBondContact O-N 3Å; R147-V149 PolarHBondContact O-N 3.21Å
148G86.1Confident85.5Confident8 Ų865.3 Ų65.38%0.08234%0.341CS..EExtended strand (participates in β ladder)trans66.223.9-17400000113.1S111 G112 L113 S146S111-G148 CarbonylContact C-O 3.6Å; S111-G148 WeakPolarHBondContact CA-O 3.19Å; G112-G148 PolarHBondContact N-O 3.48Å; L113-G148 PolarHBondContact N-O 3.23Å; L113-G148 WeakPolarHBondContact O-CA 3.5Å; S146-G148 PolarHBondContact O-N 3.28Å
149V89.9Confident85.6Confident17 Ų1764.2 Ų64.210%0.10334%0.335CS..EExtended strand (participates in β ladder)trans-127.4135-178.7176.10000109.5Y109 I110 L138 R147 F151Y109-V149 HydrophobicContact CD2-CG1 4.03Å; Y109-V149 HydrophobicContact CE2-CG1 3.31Å; I110-V149 CarbonylContact O-C 3.53Å; I110-V149 VanDerWaalsContact O-CA 3.22Å; I110-V149 WeakPolarHBondContact O-CA 3.3Å; L138-V149 HydrophobicContact CB-CB 4.32Å; L138-V149 HydrophobicContact CD2-CG1 4.24Å; L138-V149 PolarHBondContact N-O 3.03Å; R147-V149 PolarHBondContact O-N 3.21Å; V149-F151 HydrophobicContact CG1-CE2 4.25Å
150A91Very high85.7Confident0 Ų060.6 Ų60.60%031%0.313CS..EExtended strand (participates in β ladder)trans-133.5155.4174.100000111.6I110 L113 V122 R136 V137I110-A150 HydrophobicContact CB-CB 4.36Å; I110-A150 HydrophobicContact CD1-CB 4.48Å; I110-A150 PolarHBondContact N-O 2.94Å; I110-A150 PolarHBondContact O-N 3.37Å; L113-A150 HydrophobicContact CD1-CB 3.46Å; L113-A150 VanDerWaalsContact CD1-CB 3.46Å; V122-A150 HydrophobicContact CG1-CB 4Å; R136-A150 CarbonylContact O-C 3.56Å; R136-A150 VanDerWaalsContact O-CA 3.26Å; R136-A150 WeakPolarHBondContact O-CA 3.45Å; V137-A150 HydrophobicContact CG2-CB 3.99Å
151F92.1Very high86Confident72 Ų7262.3 Ų62.332%0.31632%0.319SS..EExtended strand (participates in β ladder)trans-116.5130.3168.7-67.8-93.3000108.6L108 Y109 S135 R136 L138 V149 A184L108-F151 VanDerWaalsContact O-CA 3.27Å; L108-F151 WeakPolarHBondContact O-CA 3.25Å; Y109-F151 HydrophobicContact CD2-CD1 4.37Å; Y109-F151 AromaticContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE1 3.63Å; Y109-F151 HydrophobicContact CD2-CE2 4.25Å; Y109-F151 AromaticContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CD2-CZ 3.57Å; Y109-F151 HydrophobicContact CE2-CZ 4.03Å; Y109-F151 HydrophobicContact CG-CE1 4.48Å; S135-F151 CarbonylContact C-O 3.54Å; R136-F151 PolarHBondContact N-O 3.44Å; R136-F151 PolarHBondContact O-N 2.81Å; L138-F151 HydrophobicContact CD1-CD2 3.33Å; L138-F151 HydrophobicContact CD1-CE2 3.35Å; L138-F151 HydrophobicContact CD2-CE2 3.85Å; L138-F151 HydrophobicContact CG-CE2 4.24Å; V149-F151 HydrophobicContact CG1-CE2 4.25Å; F151-A184 HydrophobicContact CD1-CB 3.94Å; F151-A184 HydrophobicContact CE1-CB 4.03Å
152I91.6Very high86.5Confident2 Ų258.3 Ų58.31%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-122.6136.4172.6-66-179.7000107.9N107 L108 I110 V122 F126 I132 N134 F154N107-I152 CarbonylContact C-O 3.52Å; N107-I152 WeakPolarHBondContact CA-O 3.45Å; L108-I152 PolarHBondContact N-O 3.27Å; L108-I152 PolarHBondContact O-N 2.93Å; I110-I152 HydrophobicContact CD1-CB 4.11Å; I110-I152 HydrophobicContact CD1-CD1 3.35Å; I110-I152 HydrophobicContact CD1-CG1 3.57Å; V122-I152 HydrophobicContact CG1-CD1 3.6Å; V122-I152 HydrophobicContact CG1-CG1 4.12Å; F126-I152 HydrophobicContact CB-CD1 3.4Å; F126-I152 VanDerWaalsContact CB-CD1 3.4Å; F126-I152 HydrophobicContact CD1-CD1 3.89Å; F126-I152 HydrophobicContact CD2-CD1 3.58Å; F126-I152 HydrophobicContact CE2-CD1 4.3Å; F126-I152 HydrophobicContact CG-CD1 3.34Å; I132-I152 HydrophobicContact CD1-CD1 4.48Å; I132-I152 HydrophobicContact CD1-CG2 4.19Å; I132-I152 HydrophobicContact CG1-CG2 3.93Å; I132-I152 HydrophobicContact CG2-CG2 4Å; N134-I152 CarbonylContact O-C 3.55Å; N134-I152 WeakPolarHBondContact O-CA 3.3Å; I152-F154 HydrophobicContact CG2-CD2 3.93Å; I152-F154 HydrophobicContact CG2-CE2 3.71Å; I152-F154 HydrophobicContact CG2-CZ 4.12Å
153R88Confident87Confident101 Ų10152.2 Ų52.238%0.38126%0.263SS..EExtended strand (participates in β ladder)trans-111.5117.6169.4-179.7171.3-170.8-176.11108.6A106 N107 I133 N134A106-R153 WeakPolarHBondContact O-CA 3.38Å; N107-R153 WeakPolarHBondContact OD1-CB 2.9Å; N107-R153 WeakPolarHBondContact OD1-CD 3.5Å; N107-R153 WeakPolarHBondContact OD1-CG 3.3Å; N107-R153 PolarHBondContact OD1-NE 2.93Å; I133-R153 HydrophobicContact CB-CB 4.45Å; I133-R153 HydrophobicContact CB-CG 4.17Å; I133-R153 WeakPolarHBondContact CB-O 3.26Å; I133-R153 PolarHBondContact N-O 2.95Å; N134-R153 HydrophobicContact CB-CB 4.05Å; N134-R153 PolarHBondContact N-O 3.24Å; N134-R153 PolarHBondContact O-N 3.05Å
154F88.8Confident87.4Confident0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-82.9165.5173.2-80-77.5000112.1A106 L108 F126 F129 I132 I152 E159 A160 A163A106-F154 HydrophobicContact CB-CB 4.31Å; A106-F154 WeakPolarHBondContact CB-O 3.42Å; A106-F154 PolarHBondContact O-N 2.83Å; L108-F154 HydrophobicContact CD1-CD2 3.81Å; L108-F154 HydrophobicContact CD1-CE2 3.53Å; L108-F154 HydrophobicContact CG-CD2 4.18Å; L108-F154 HydrophobicContact CG-CE2 4.33Å; F126-F154 HydrophobicContact CB-CZ 3.99Å; F126-F154 HydrophobicContact CD1-CE2 4.31Å; F126-F154 HydrophobicContact CD1-CZ 4.19Å; F126-F154 WeakPolarHBondContact O-CE1 3.5Å; F126-F154 WeakPolarHBondContact O-CZ 3.48Å; F129-F154 HydrophobicContact CB-CE1 4.17Å; F129-F154 HydrophobicContact CB-CZ 4.13Å; I132-F154 HydrophobicContact CG1-CD1 4.25Å; I132-F154 HydrophobicContact CG1-CE1 3.84Å; I132-F154 HydrophobicContact CG1-CZ 4.34Å; I152-F154 HydrophobicContact CG2-CD2 3.93Å; I152-F154 HydrophobicContact CG2-CE2 3.71Å; I152-F154 HydrophobicContact CG2-CZ 4.12Å; F154-E159 HydrophobicContact CB-CB 4.26Å; F154-E159 HydrophobicContact CD1-CB 4.06Å; F154-E159 HydrophobicContact CG-CB 4.24Å; F154-A160 HydrophobicContact CB-CB 4.2Å; F154-A160 HydrophobicContact CD2-CB 3.9Å; F154-A160 HydrophobicContact CG-CB 4.38Å; F154-A163 HydrophobicContact CE2-CB 3.79Å; F154-A163 HydrophobicContact CZ-CB 3.99Å
155D82.6Confident87.8Confident22 Ų2252.3 Ų52.312%0.11825%0.252CS..SBendtrans-69.6-40.4176.6-168.284.1000111R97 R131 I133 E159R97-D155 IonicContact CZ-OD1 2.71Å; R97-D155 IonicContact CZ-OD2 3.55Å; R97-D155 IonicContact NE-OD1 2.96Å; R97-D155 PolarHBondContact NE-OD1 2.74Å; R97-D155 VanDerWaalsContact NH1-CG 3.26Å; R97-D155 PolarHBondContact NH1-O 3.48Å; R97-D155 IonicContact NH1-OD1 3.51Å; R97-D155 PolarHBondContact NH1-OD1 3Å; R97-D155 IonicContact NH1-OD2 2.63Å; R97-D155 IonicContact NH2-OD1 3.62Å; R97-D155 PolarHBondContact NH2-OD1 3.07Å; R97-D155 IonicContact NH2-OD2 3.69Å; R97-D155 PolarHBondContact NH2-OD2 3.01Å; R131-D155 HydrophobicContact CB-CB 3.89Å; R131-D155 HydrophobicContact CG-CB 4.46Å; R131-D155 WeakPolarHBondContact O-CB 3.39Å; R131-D155 PolarHBondContact O-N 2.86Å; I133-D155 HydrophobicContact CD1-CB 4.26Å; I133-D155 WeakPolarHBondContact CD1-OD1 3.32Å; I133-D155 HydrophobicContact CG1-CB 4.3Å; D155-E159 WeakPolarHBondContact CB-OE2 3.35Å; D155-E159 PolarHBondContact N-OE2 3.39Å
156K84.8Confident88.1Confident105 Ų10552.5 Ų52.546%0.45725%0.253SS..SBendtrans-127.1152.2-179.9-58.7172.7-172.91650111.6E159 A160K156-E159 HydrophobicContact CB-CG 4.02Å; K156-E159 PolarHBondContact N-OE2 2.94Å; K156-E159 VanDerWaalsContact N-OE2 3.13Å; K156-A160 PolarHBondContact O-N 2.64Å
157R85.5Confident88.1Confident84 Ų8452.5 Ų52.532%0.31725%0.251SS..Hα-helixtrans-63-40173.2-177.5-177.3176.4120.72.6112.5V102 D105 E159 A160 E161 F183V102-R157 WeakPolarHBondContact O-CB 3.45Å; V102-R157 PolarHBondContact O-N 3.48Å; D105-R157 IonicContact OD2-NH1 3.76Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-E159 PolarHBondContact O-N 3.04Å; R157-A160 CarbonylContact O-C 3.59Å; R157-A160 WeakPolarHBondContact O-CA 3.41Å; R157-A160 VanDerWaalsContact O-CB 3.26Å; R157-A160 WeakPolarHBondContact O-CB 3.2Å; R157-A160 PolarHBondContact O-N 3.13Å; R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 IonicContact CZ-OE1 3.79Å; R157-E161 IonicContact NE-OE1 3.96Å; R157-E161 PolarHBondContact NE-OE1 2.94Å; R157-E161 IonicContact NH2-OE1 3.69Å; R157-E161 PolarHBondContact O-N 2.82Å; R157-F183 HydrophobicContact CG-CE1 4.26Å; R157-F183 HydrophobicContact CG-CZ 4.33Å
158S87.4Confident88.1Confident64 Ų6449.1 Ų49.145%0.44824%0.244SC..Hα-helixtrans-58.9-42.3-179.6-52.10000112.2A160 E161 E162S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.2Å; S158-E161 WeakPolarHBondContact O-CB 3.49Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-E161 VanDerWaalsContact O-N 3.13Å; S158-E162 PolarHBondContact O-N 2.89Å
159E89.3Confident87.9Confident26 Ų2650.9 Ų50.912%0.12126%0.263CS..Hα-helixtrans-60.9-38.7174.3-62.1168.3172.700111.4F129 F154 D155 K156 R157 E162 A163F129-E159 WeakPolarHBondContact O-CB 3.42Å; F154-E159 HydrophobicContact CB-CB 4.26Å; F154-E159 HydrophobicContact CD1-CB 4.06Å; F154-E159 HydrophobicContact CG-CB 4.24Å; D155-E159 WeakPolarHBondContact CB-OE2 3.35Å; D155-E159 PolarHBondContact N-OE2 3.39Å; K156-E159 HydrophobicContact CB-CG 4.02Å; K156-E159 PolarHBondContact N-OE2 2.94Å; K156-E159 VanDerWaalsContact N-OE2 3.13Å; R157-E159 VanDerWaalsContact C-N 3.32Å; R157-E159 PolarHBondContact O-N 3.04Å; E159-E162 PolarHBondContact O-N 3.32Å; E159-A163 WeakPolarHBondContact O-CB 3.3Å; E159-A163 PolarHBondContact O-N 3.47Å
160A88.8Confident87.5Confident0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-67.4-36.8175.800000112.2L108 F154 K156 R157 S158 A163 I164 F183L108-A160 HydrophobicContact CD1-CB 4.21Å; L108-A160 HydrophobicContact CD2-CB 3.82Å; L108-A160 HydrophobicContact CG-CB 3.99Å; F154-A160 HydrophobicContact CB-CB 4.2Å; F154-A160 HydrophobicContact CD2-CB 3.9Å; F154-A160 HydrophobicContact CG-CB 4.38Å; K156-A160 PolarHBondContact O-N 2.64Å; R157-A160 CarbonylContact O-C 3.59Å; R157-A160 WeakPolarHBondContact O-CA 3.41Å; R157-A160 VanDerWaalsContact O-CB 3.26Å; R157-A160 WeakPolarHBondContact O-CB 3.2Å; R157-A160 PolarHBondContact O-N 3.13Å; S158-A160 VanDerWaalsContact C-N 3.27Å; S158-A160 PolarHBondContact O-N 3.2Å; A160-A163 PolarHBondContact O-N 3.36Å; A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.09Å; A160-I164 PolarHBondContact O-N 2.83Å; A160-F183 HydrophobicContact CB-CE1 4.25Å
161E90Very high86.9Confident78 Ų7860.8 Ų60.836%0.36431%0.306SS..Hα-helixtrans-67.6-41.3175.3-71.8172.6164.300111.8R157 S158 I164 T165 F183R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 IonicContact CZ-OE1 3.79Å; R157-E161 IonicContact NE-OE1 3.96Å; R157-E161 PolarHBondContact NE-OE1 2.94Å; R157-E161 IonicContact NH2-OE1 3.69Å; R157-E161 PolarHBondContact O-N 2.82Å; S158-E161 WeakPolarHBondContact O-CB 3.49Å; S158-E161 PolarHBondContact O-N 3.49Å; S158-E161 VanDerWaalsContact O-N 3.13Å; E161-I164 PolarHBondContact O-N 3.09Å; E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 2.61Å; E161-T165 PolarHBondContact O-OG1 3.14Å; E161-F183 HydrophobicContact CG-CE1 4.49Å; E161-F183 HydrophobicContact CG-CE2 4.28Å; E161-F183 HydrophobicContact CG-CZ 3.55Å
162E90.1Very high85.7Confident108 Ų10857.7 Ų57.751%0.50529%0.292SS..Hα-helixtrans-62.5-44173.3-73.3-171.888.100111.5F129 S158 E159 I164 T165 N166F129-E162 HydrophobicContact CD1-CB 4.43Å; S158-E162 PolarHBondContact O-N 2.89Å; E159-E162 PolarHBondContact O-N 3.32Å; E162-I164 PolarHBondContact O-N 3.26Å; E162-T165 PolarHBondContact O-N 2.8Å; E162-N166 WeakPolarHBondContact O-CB 3.23Å; E162-N166 PolarHBondContact O-N 2.82Å; E162-N166 PolarHBondContact O-ND2 2.78Å
163A89.9Confident84.4Confident0 Ų063.5 Ų63.50%033%0.331CS..Hα-helixtrans-61.6-42.2175.500000112.2L108 F126 F129 F154 E159 A160 F167L108-A163 HydrophobicContact CD1-CB 3.8Å; F126-A163 HydrophobicContact CD1-CB 4.1Å; F126-A163 HydrophobicContact CE1-CB 4.33Å; F129-A163 HydrophobicContact CB-CB 4Å; F129-A163 HydrophobicContact CD2-CB 3.94Å; F129-A163 HydrophobicContact CG-CB 3.88Å; F154-A163 HydrophobicContact CE2-CB 3.79Å; F154-A163 HydrophobicContact CZ-CB 3.99Å; E159-A163 WeakPolarHBondContact O-CB 3.3Å; E159-A163 PolarHBondContact O-N 3.47Å; A160-A163 PolarHBondContact O-N 3.36Å; A163-F167 WeakPolarHBondContact O-CB 3.41Å; A163-F167 PolarHBondContact O-N 3.05Å
164I90.1Very high83.2Confident30 Ų3062.5 Ų62.515%0.15435%0.352CS..Hα-helixtrans-60.2-48.6173.8-70.2162.2000110.1L108 A160 E161 E162 N166 N168 V181 F183L108-I164 HydrophobicContact CD1-CG1 4.33Å; L108-I164 HydrophobicContact CD2-CD1 3.48Å; L108-I164 VanDerWaalsContact CD2-CD1 3.48Å; L108-I164 HydrophobicContact CD2-CG1 3.66Å; A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.09Å; A160-I164 PolarHBondContact O-N 2.83Å; E161-I164 PolarHBondContact O-N 3.09Å; E162-I164 PolarHBondContact O-N 3.26Å; I164-N166 VanDerWaalsContact C-N 3.34Å; I164-N166 PolarHBondContact O-N 3.02Å; I164-N168 HydrophobicContact CG2-CB 4.38Å; I164-N168 WeakPolarHBondContact O-CB 3.37Å; I164-N168 PolarHBondContact O-N 2.96Å; I164-V181 HydrophobicContact CB-CG1 4.48Å; I164-V181 HydrophobicContact CG1-CB 4.47Å; I164-V181 HydrophobicContact CG1-CG1 3.82Å; I164-F183 HydrophobicContact CD1-CD1 4.11Å; I164-F183 HydrophobicContact CD1-CD2 3.71Å; I164-F183 HydrophobicContact CD1-CE1 4.01Å; I164-F183 HydrophobicContact CD1-CE2 3.59Å; I164-F183 HydrophobicContact CD1-CG 3.99Å; I164-F183 HydrophobicContact CD1-CZ 3.77Å
165T88.4Confident82.1Confident114 Ų11463.8 Ų63.870%0.69936%0.361SS*.Hα-helixtrans-65-38.4-173.8-56.40000112.2E161 E162E161-T165 WeakPolarHBondContact O-CB 3.35Å; E161-T165 PolarHBondContact O-N 2.61Å; E161-T165 PolarHBondContact O-OG1 3.14Å; E162-T165 PolarHBondContact O-N 2.8Å
166N85.8Confident81.3Confident99 Ų9968.4 Ų68.453%0.52940%0.395SS..Hα-helixtrans-87.8-32.5-176-73.6-85.7000113.9F129 E162 I164F129-N166 HydrophobicContact CE1-CB 3.63Å; F129-N166 HydrophobicContact CZ-CB 3.82Å; E162-N166 WeakPolarHBondContact O-CB 3.23Å; E162-N166 PolarHBondContact O-N 2.82Å; E162-N166 PolarHBondContact O-ND2 2.78Å; I164-N166 VanDerWaalsContact C-N 3.34Å; I164-N166 PolarHBondContact O-N 3.02Å
167F84.3Confident80.6Confident19 Ų1970 Ų708%0.08340%0.403CS..Hα-helixtrans-106.9-14.5-173.9-95.4-98.7000115M125 F126 F129 A163 G169 H170 V181M125-F167 HydrophobicContact CE-CE1 4.45Å; M125-F167 HydrophobicContact CG-CD1 4.24Å; M125-F167 HydrophobicContact CG-CE1 3.39Å; M125-F167 HydrophobicContact CG-CZ 3.59Å; M125-F167 HydrophobicContact SD-CD1 3.98Å; M125-F167 HydrophobicContact SD-CE1 3.36Å; M125-F167 WeakPolarHBondContact SD-CE1 3.46Å; M125-F167 HydrophobicContact SD-CZ 4.19Å; F126-F167 HydrophobicContact CE1-CB 4.23Å; F126-F167 HydrophobicContact CZ-CB 4.23Å; F126-F167 HydrophobicContact CZ-CD1 4.33Å; F126-F167 HydrophobicContact CZ-CG 4.38Å; F129-F167 HydrophobicContact CD2-CD2 4.4Å; F129-F167 HydrophobicContact CE1-CD2 4.4Å; F129-F167 AromaticContact CE2-CD2 3.16Å; F129-F167 HydrophobicContact CE2-CD2 3.16Å; F129-F167 AromaticContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CE2 3.2Å; F129-F167 HydrophobicContact CE2-CG 4.24Å; F129-F167 HydrophobicContact CE2-CZ 4.29Å; F129-F167 AromaticContact CZ-CD2 3.18Å; F129-F167 HydrophobicContact CZ-CD2 3.18Å; F129-F167 AromaticContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CE2 3.23Å; F129-F167 HydrophobicContact CZ-CG 4.47Å; A163-F167 WeakPolarHBondContact O-CB 3.41Å; A163-F167 PolarHBondContact O-N 3.05Å; F167-G169 PolarHBondContact O-N 3.42Å; F167-H170 HydrophobicContact CD1-CB 4.21Å; F167-H170 WeakPolarHBondContact O-CB 3.23Å; F167-H170 PolarHBondContact O-N 2.98Å; F167-H170 VanDerWaalsContact O-N 3.11Å; F167-V181 HydrophobicContact CB-CG2 3.9Å
168N86.3Confident80.5Confident82 Ų8268.8 Ų68.844%0.43941%0.407SS..THydrogen-bonded Turntrans-68.5118.6174.4-173.753.6000110.4I164 T180 V181I164-N168 HydrophobicContact CG2-CB 4.38Å; I164-N168 WeakPolarHBondContact O-CB 3.37Å; I164-N168 PolarHBondContact O-N 2.96Å; N168-T180 WeakPolarHBondContact OD1-CA 3.32Å; N168-V181 HydrophobicContact CB-CB 4.23Å; N168-V181 PolarHBondContact OD1-N 3.26Å; N168-V181 PolarHBondContact OD1-O 3.15Å
169G80.8Confident80.6Confident46 Ų4665.7 Ų65.747%0.47439%0.385SS..THydrogen-bonded Turntrans94.3-4.1-174.900000114.5F167 I179F167-G169 PolarHBondContact O-N 3.42Å; G169-I179 WeakPolarHBondContact CA-O 3.49Å; G169-I179 PolarHBondContact N-O 2.87Å
170H81.4Confident80.6Confident86 Ų8667.2 Ų67.240%0.39840%0.396SS..  trans-72.5134.2-179.5-170.2-82.6000111.4F167 P172 I179F167-H170 HydrophobicContact CD1-CB 4.21Å; F167-H170 WeakPolarHBondContact O-CB 3.23Å; F167-H170 PolarHBondContact O-N 2.98Å; F167-H170 VanDerWaalsContact O-N 3.11Å; H170-P172 VanDerWaalsContact O-CD 3.28Å; H170-P172 WeakPolarHBondContact O-CD 3.34Å; H170-I179 WeakPolarHBondContact O-CB 3.49Å; H170-I179 PolarHBondContact O-N 2.83Å
171K78.3Confident80.7Confident139 Ų13967.3 Ų67.360%0.60440%0.397SS*.  trans-96.6105.2176.9-70.2-176.7-178.4-177.40110P178K171-P178 HydrophobicContact CG-CB 4.03Å
172P68.3Low80.7Confident6 Ų668.7 Ų68.74%0.03940%0.402CS..  trans-68.2149.9177.729.5-35.8000110.2P114 H170 G174 S175 I179P114-P172 HydrophobicContact CG-CB 4.31Å; P114-P172 HydrophobicContact CG-CG 3.89Å; H170-P172 VanDerWaalsContact O-CD 3.28Å; H170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-G174 PolarHBondContact O-N 3.16Å; P172-G174 VanDerWaalsContact O-N 3.13Å; P172-S175 WeakPolarHBondContact CD-OG 3.48Å; P172-S175 WeakPolarHBondContact CG-OG 3.48Å; P172-S175 PolarHBondContact O-N 3.13Å; P172-S175 PolarHBondContact O-OG 2.96Å; P172-I179 HydrophobicContact CB-CD1 3.98Å; P172-I179 HydrophobicContact CG-CD1 3.56Å; P172-I179 HydrophobicContact CG-CG1 3.77Å
173P63.3Low80.7Confident125 Ų12567 Ų6781%0.81239%0.393SS*.THydrogen-bonded Turntrans-60.7119.3176.924.3-31.7000109.6
174G63.7Low80.4Confident80 Ų8067.8 Ų67.883%0.82540%0.399SS*.THydrogen-bonded Turntrans102.3-0.2-179.500000116.2P172P172-G174 PolarHBondContact O-N 3.16Å; P172-G174 VanDerWaalsContact O-N 3.13Å
175S65.3Low79.6Confident27 Ų2769.9 Ų69.919%0.18942%0.421CS..  trans-111144.8166.973.50000112.6P172 E177P172-S175 WeakPolarHBondContact CD-OG 3.48Å; P172-S175 WeakPolarHBondContact CG-OG 3.48Å; P172-S175 PolarHBondContact O-N 3.13Å; P172-S175 PolarHBondContact O-OG 2.96Å; S175-E177 PolarHBondContact OG-O 2.78Å
176S64.6Low78.3Confident119 Ų11966.3 Ų66.383%0.83240%0.397SS*.SBendtrans-80.9-23169.9-48.50000111.9
177E71.1Confident76.7Confident137 Ų13766.7 Ų66.764%0.6441%0.405SS*.SBendtrans-100.1138.4-176.2-62-170.5122.900111.6S175S175-E177 PolarHBondContact OG-O 2.78Å
178P84.2Confident75.1Confident59 Ų5971.3 Ų71.338%0.38343%0.431SS..PPolyproline II helixtrans-68.3142.5172.429.7-33.1000110.8K171 T180K171-P178 HydrophobicContact CG-CB 4.03Å; P178-T180 PolarHBondContact O-N 3.37Å
179I88.2Confident73.4Confident0 Ų072.2 Ų72.20%043%0.433CS..PPolyproline II helixtrans-67.2134.2171.9-62.4163.2000108.3I110 S111 L113 M125 G169 H170 P172 V181I110-I179 HydrophobicContact CG2-CG2 3.43Å; I110-I179 VanDerWaalsContact CG2-CG2 3.43Å; S111-I179 CarbonylContact O-C 3.5Å; S111-I179 VanDerWaalsContact O-CA 3.31Å; S111-I179 WeakPolarHBondContact O-CA 3.45Å; L113-I179 HydrophobicContact CD2-CD1 3.8Å; L113-I179 HydrophobicContact CD2-CG1 3.97Å; L113-I179 HydrophobicContact CD2-CG2 4.28Å; M125-I179 HydrophobicContact SD-CD1 4.37Å; G169-I179 WeakPolarHBondContact CA-O 3.49Å; G169-I179 PolarHBondContact N-O 2.87Å; H170-I179 WeakPolarHBondContact O-CB 3.49Å; H170-I179 PolarHBondContact O-N 2.83Å; P172-I179 HydrophobicContact CB-CD1 3.98Å; P172-I179 HydrophobicContact CG-CD1 3.56Å; P172-I179 HydrophobicContact CG-CG1 3.77Å; I179-V181 HydrophobicContact CG2-CG2 3.8Å
180T88.8Confident71.6Confident57 Ų5775.1 Ų75.135%0.3544%0.437SS..EExtended strand (participates in β ladder)trans-103.1124.7167.7-55.60000108.7I110 S111 N168 P178I110-T180 CarbonylContact C-O 3.52Å; I110-T180 VanDerWaalsContact CA-O 3.28Å; I110-T180 WeakPolarHBondContact CA-O 3.49Å; S111-T180 PolarHBondContact N-O 2.91Å; S111-T180 PolarHBondContact O-N 2.75Å; N168-T180 WeakPolarHBondContact OD1-CA 3.32Å; P178-T180 PolarHBondContact O-N 3.37Å
181V91.4Very high69.9Low2 Ų279.5 Ų79.51%0.01246%0.455CS..EExtended strand (participates in β ladder)trans-117.6124.4175.4-171.20000107.8L108 I110 F126 I164 F167 N168 I179L108-V181 HydrophobicContact CB-CG1 4.4Å; L108-V181 HydrophobicContact CD1-CG1 3.77Å; I110-V181 HydrophobicContact CG1-CG1 4.12Å; I110-V181 HydrophobicContact CG1-CG2 4.34Å; I110-V181 HydrophobicContact CG2-CG2 4.35Å; F126-V181 HydrophobicContact CE1-CG1 4.13Å; F126-V181 HydrophobicContact CE1-CG2 4.08Å; F126-V181 HydrophobicContact CZ-CG2 3.87Å; I164-V181 HydrophobicContact CB-CG1 4.48Å; I164-V181 HydrophobicContact CG1-CB 4.47Å; I164-V181 HydrophobicContact CG1-CG1 3.82Å; F167-V181 HydrophobicContact CB-CG2 3.9Å; N168-V181 HydrophobicContact CB-CB 4.23Å; N168-V181 PolarHBondContact OD1-N 3.26Å; N168-V181 PolarHBondContact OD1-O 3.15Å; I179-V181 HydrophobicContact CG2-CG2 3.8Å
182K89.9Confident68.1Low108 Ų10879.5 Ų79.547%0.4746%0.462SS..EExtended strand (participates in β ladder)trans-147164.6179.462.5-177.5176.6-176.60110.9L108 Y109 A184L108-K182 CarbonylContact C-O 3.57Å; L108-K182 WeakPolarHBondContact CA-O 3.41Å; Y109-K182 HydrophobicContact CD1-CD 4.21Å; Y109-K182 HydrophobicContact CD1-CG 3.94Å; Y109-K182 HydrophobicContact CG-CG 4.46Å; Y109-K182 PolarHBondContact N-O 3.37Å; Y109-K182 PolarHBondContact O-N 3.05Å; K182-A184 PolarHBondContact O-N 2.82Å
183F89.9Confident66.8Low73 Ų7383.6 Ų83.632%0.3249%0.487SS..EExtended strand (participates in β ladder)trans-59.9132.8169.7-69.7-70.1000111.1D105 N107 L108 R157 A160 E161 I164D105-F183 WeakPolarHBondContact O-CD1 3.23Å; D105-F183 WeakPolarHBondContact O-CE1 3.43Å; N107-F183 WeakPolarHBondContact O-CA 3.41Å; L108-F183 HydrophobicContact CD2-CD1 3.98Å; L108-F183 HydrophobicContact CD2-CE1 4.27Å; R157-F183 HydrophobicContact CG-CE1 4.26Å; R157-F183 HydrophobicContact CG-CZ 4.33Å; A160-F183 HydrophobicContact CB-CE1 4.25Å; E161-F183 HydrophobicContact CG-CE1 4.49Å; E161-F183 HydrophobicContact CG-CE2 4.28Å; E161-F183 HydrophobicContact CG-CZ 3.55Å; I164-F183 HydrophobicContact CD1-CD1 4.11Å; I164-F183 HydrophobicContact CD1-CD2 3.71Å; I164-F183 HydrophobicContact CD1-CE1 4.01Å; I164-F183 HydrophobicContact CD1-CE2 3.59Å; I164-F183 HydrophobicContact CD1-CG 3.99Å; I164-F183 HydrophobicContact CD1-CZ 3.77Å
184A83.9Confident65.8Low15 Ų1582.4 Ų82.412%0.12449%0.487CS..PPolyproline II helixtrans-74.3132.6175.400000109.6N107 F151 K182 N186N107-A184 HydrophobicContact CB-CB 3.87Å; N107-A184 PolarHBondContact O-N 2.88Å; F151-A184 HydrophobicContact CD1-CB 3.94Å; F151-A184 HydrophobicContact CE1-CB 4.03Å; K182-A184 PolarHBondContact O-N 2.82Å; A184-N186 PolarHBondContact O-N 2.97Å
185A74.1Confident64.9Low74 Ų7486.3 Ų86.361%0.61249%0.488SS*.PPolyproline II helixtrans-68124.2169.100000109P187A185-P187 WeakPolarHBondContact O-CD 3.4Å
186N59.8Low63.7Low39 Ų3991.5 Ų91.521%0.20951%0.513CS..  trans-72.7114.4173.9-78.5-19.9000108.9N107 A184 N188 Q189N107-N186 PolarHBondContact ND2-OD1 2.76Å; A184-N186 PolarHBondContact O-N 2.97Å; N186-N188 PolarHBondContact O-N 3.5Å; N186-Q189 HydrophobicContact CB-CB 4.13Å; N186-Q189 HydrophobicContact CB-CG 4.27Å; N186-Q189 PolarHBondContact O-N 3.22Å
187P53.6Low62.3Low108 Ų10890.7 Ų90.770%0.70151%0.507SS*.THydrogen-bonded Turntrans-60-23.6179.221.5-30.9000112.6A185A185-P187 WeakPolarHBondContact O-CD 3.4Å
188N49.7Very low60.7Low116 Ų11693.3 Ų93.362%0.6252%0.52SS*.THydrogen-bonded Turntrans-79-19.9175.9-75.812.2000114.4N186N186-N188 PolarHBondContact O-N 3.5Å
189Q51Low58.4Low101 Ų10197.6 Ų97.647%0.47254%0.539SS..THydrogen-bonded Turntrans-84.2-23.5175.4-88.9-178.4-4.800112.6N186 K191 N192N186-Q189 HydrophobicContact CB-CB 4.13Å; N186-Q189 HydrophobicContact CB-CG 4.27Å; N186-Q189 PolarHBondContact O-N 3.22Å; Q189-K191 PolarHBondContact O-N 2.86Å; Q189-N192 PolarHBondContact O-N 3.33Å; Q189-N192 VanDerWaalsContact O-N 3.15Å
190N41.9Very low55.8Low106 Ų106102.5 Ų102.557%0.56757%0.572SS**THydrogen-bonded Turntrans-69.80-170.5-88.78.3000116N192N190-N192 VanDerWaalsContact C-N 3.28Å
191K47.1Very low53.1Low178 Ų178108.4 Ų108.477%0.77460%0.595SS**THydrogen-bonded Turntrans-76.2-13.6169.1-67.7-175.2-177.5174.70113.5Q189Q189-K191 PolarHBondContact O-N 2.86Å
192N40.7Very low50.2Low139 Ų139114.1 Ų114.174%0.74364%0.635SS**THydrogen-bonded Turntrans-120.2-13.3-174.2-83-76.6000116.5Q189 N190Q189-N192 PolarHBondContact O-N 3.33Å; Q189-N192 VanDerWaalsContact O-N 3.15Å; N190-N192 VanDerWaalsContact C-N 3.28Å
193V40.5Very low47.7Very low93 Ų93114.9 Ų114.956%0.56465%0.651SS**G310 helixtrans-98.7-2-167.8-168.10000114.2L195V193-L195 PolarHBondContact O-N 3.29Å
194A42.4Very low45Very low99 Ų99116.1 Ų116.182%0.81868%0.675SS**G310 helixtrans-74.5-7.3175.500000114
195L45.3Very low42.5Very low162 Ų162127.4 Ų127.485%0.84871%0.714SS**G310 helixtrans-103.1-7-170.9-139.1112.6000115.6V193V193-L195 PolarHBondContact O-N 3.29Å
196L39Very low40.5Very low137 Ų137135.5 Ų135.572%0.71773%0.729SS**SBendtrans-122-2.1-170.7-152.564.2000116.1Q198L196-Q198 PolarHBondContact O-N 3.46Å
197S35.6Very low39Very low102 Ų102144.2 Ų144.271%0.71377%0.765SS**THydrogen-bonded Turntrans-85.32.8-178.8-172.40000115
198Q36.8Very low37.9Very low192 Ų192142.6 Ų142.690%0.89777%0.768SS**THydrogen-bonded Turntrans-101.35.4-174.3-77.6-171.8-40.300115.9L196L196-Q198 PolarHBondContact O-N 3.46Å
199L35.9Very low37Very low149 Ų149140.8 Ų140.878%0.7878%0.777SS**SBendtrans-104.2-1.3-174.6-81.6160.8000116.5
200C34.7Very low37Very low103 Ų103141.7 Ų141.770%0.69679%0.792SS**  trans-136.355.7-169.4-51.10000114.5
201H32.4Very low36.7Very low180 Ų180143.1 Ų143.183%0.83380%0.804SS**  trans-145.588.7161.4-73.996.4000111.4
202S30.7Very low36Very low123 Ų123142.9 Ų142.986%0.8681%0.805SS**  trans-107.5118.8162.4-49.60000108.2
203P36.7Very low35.7Very low123 Ų123144.4 Ų144.480%0.79981%0.808SS**  trans-93.8125.2161.131.5-23.6000109.6
204A32.9Very low35.2Very low100 Ų100149.4 Ų149.483%0.82683%0.825SS**  trans-64.4136.1166.100000110.8
205R31.3Very low34.6Very low252 Ų252148.2 Ų148.295%0.95182%0.815SS**  trans-136.9143.9152.9-81-154.7174.7-162.81.2111.5
206R32Very low34Very low244 Ų244148.2 Ų148.292%0.92181%0.811SS**  trans-85.6145.4-167.7-65176.9170-170.1-3.8112.7
207F29.8Very low33.6Very low221 Ų221152.4 Ų152.497%0.96982%0.817SS**  trans44.5127.1139.4-118-97.4000122.6
208G29.5Very low33.6Very low74 Ų74156.6 Ų156.676%0.76382%0.823SS**  trans144.295.914000000119.5
209G30Very low33.2Very low79 Ų79159.1 Ų159.181%0.81482%0.824SS**  trans94.9151.613900000121
210P52.8Low32.7Very low120 Ų120161.5 Ų161.578%0.77983%0.829SS**  trans-113.3-167.7-156.733.1-13.3000114.3
211V35.2Very low32.9Very low135 Ų135161.5 Ų161.582%0.81883%0.83SS**  trans94.8130167-178.40000112.5
212H31.8Very low33.3Very low173 Ų173158.9 Ų158.980%0.80183%0.829SS**  cis-177.8153.910.5169.4-166.5000109.6
213H35Very low33.3Very low172 Ų172161.9 Ų161.980%0.79683%0.832SS**  trans-41.3147.7173-89.6121.7000116.2
214Q28.5Very low33Very low197 Ų197159.9 Ų159.992%0.92183%0.833SS**  -168.1152.5105.7-146165.633.200113.3
215A30.4Very low32.9Very low75 Ų75160.6 Ų160.662%0.6283%0.827SS**  trans-100.1176.1-172.400000114
216Q33Very low32.6Very low162 Ų162156 Ų15676%0.75782%0.821SS**  trans97.8110.7159.2-55.5-70-36.200116.9
217R30.7Very low32.4Very low225 Ų225152.5 Ų152.585%0.84982%0.815SS**  174.5139.190.3-85.7-156.8177.2-165.3-0.3113
218F35Very low32.5Very low189 Ų189149.7 Ų149.783%0.82981%0.807SS**  trans-70.7148.5166.7-72.9-98000112.2
219R29Very low32.4Very low245 Ų245152 Ų15293%0.92581%0.811SS**  trans-168.7144.1133.5-104.2176.4-153.7-144.96.2113
220F26.4Very low32.2Very low200 Ų200151.5 Ų151.588%0.87781%0.806SS**  trans-78.9161.5-176-107.7-104.4000114.2
221S38.3Very low31.1Very low102 Ų102153.5 Ų153.571%0.71381%0.809SS**  trans-51.5168.4176.1-32.70000116
222P41Very low30.9Very low126 Ų126152.7 Ų152.782%0.81881%0.81SS**  -159.2175.575.638.2-14000118.7
223M30.8Very low30.9Very low186 Ų186148.1 Ų148.192%0.91681%0.809SS**  trans-7.8143.6168.1-72.1178.314600123
224G29.6Very low30.7Very low80 Ų80146.6 Ų146.683%0.82581%0.812SS**  trans-150.5108.1150.900000110
225V30.3Very low30.7Very low116 Ų116144.6 Ų144.670%0.70381%0.807SS**  trans-85.1144.1167.1-74.30000108.3
226D26.6Very low31Very low154 Ų154146.7 Ų146.782%0.82481%0.812SS**  trans169.2125.3131.5-78.9-33.3000113.4
227H26.7Very low31.1Very low172 Ų172145.1 Ų145.180%0.79682%0.816SS**  trans74.294.2136.6-136-106.4000123.3
228M32.7Very low31.4Very low162 Ų162137.7 Ų137.780%0.79881%0.809SS**  31.9109.2121.4-154.3147.9175.300120.7
229S27.4Very low31.5Very low122 Ų122136.6 Ų136.685%0.85381%0.812SS**  161.5134.9122.8-73.40000111.6
230G24.3Very low32Very low69 Ų69128.8 Ų128.871%0.71180%0.8SS**  trans128.595.5159.600000116.6
231L30.9Very low33Very low162 Ų162124.7 Ų124.785%0.84880%0.797SS**  50.2126.1129.8-67.4160.4000120.6
232S31.2Very low34.3Very low118 Ų118125.6 Ų125.683%0.82580%0.803SS**  trans72.1109.5139-53.10000117.8
233G32Very low36.1Very low77 Ų77120.3 Ų120.379%0.79477%0.771SS**  trans15062.6158.100000115
234V30.2Very low38.8Very low140 Ų140117.1 Ų117.185%0.84875%0.749SS**  trans-98.795.6157.5-174.70000107.6V236V234-V236 PolarHBondContact O-N 2.64Å
235N27.7Very low41.6Very low154 Ų154114.9 Ų114.982%0.82472%0.72SS**  trans-67.5118.8171.6-156.911.4000108.3P237N235-P237 WeakPolarHBondContact O-CD 3.33Å
236V36.5Very low44.7Very low120 Ų120109.3 Ų109.373%0.72769%0.687SS**  trans-93.7119.6-179.9177.90000109.2V234V234-V236 PolarHBondContact O-N 2.64Å
237P35.7Very low47.9Very low128 Ų128104.7 Ų104.783%0.83166%0.659SS**  trans-108.8108.3150.832.2-21.5000106.9N235N235-P237 WeakPolarHBondContact O-CD 3.33Å
238G36.2Very low51.1Low69 Ų6996.5 Ų96.571%0.71162%0.621SS**  cis100.552.845.200000110.4
239N39Very low53.9Low166 Ų16694 Ų9489%0.88860%0.604SS**  trans-172.382.6150-15740.5000110.7
240A38.4Very low57Low81 Ų8190.5 Ų90.567%0.66958%0.576SS**  trans-128.7129.7168.500000108.3S242A240-S242 PolarHBondContact O-N 3.31Å; A240-S242 VanDerWaalsContact O-N 3.13Å
241S47.4Very low60.2Low115 Ų11587.5 Ų87.580%0.80454%0.543SS*.  trans-41.2121.1153-27.90000106.3G243S241-G243 PolarHBondContact O-N 3.46Å
242S66.5Low62.8Low121 Ų12180.7 Ų80.785%0.84651%0.513SS*.SBendtrans-57.168-160.4530000115.4A240A240-S242 PolarHBondContact O-N 3.31Å; A240-S242 VanDerWaalsContact O-N 3.13Å
243G77.3Confident65.4Low15 Ų1580.1 Ų80.116%0.15550%0.497CS..SBendtrans-173.4162.6-177.100000112.3S241 M292S241-G243 PolarHBondContact O-N 3.46Å; G243-M292 CarbonylContact C-O 3.5Å; G243-M292 WeakPolarHBondContact CA-O 3.37Å
244W87.3Confident67.9Low118 Ų11882.3 Ų82.345%0.44749%0.49SS..EExtended strand (participates in β ladder)trans-93.2110.9-175.2-60.291.3000109.8T291 M292 Y295 A298 F319W244-T291 WeakPolarHBondContact O-CA 3.4Å; W244-M292 PolarHBondContact N-O 2.8Å; W244-M292 PolarHBondContact O-N 2.89Å; W244-Y295 AromaticContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CG 4.24Å; W244-Y295 VanDerWaalsContact CE2-CB 3.46Å; W244-Y295 AromaticContact CE2-CD2 3.93Å; W244-Y295 AromaticContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CD2 3.43Å; W244-Y295 VanDerWaalsContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CE2 4.11Å; W244-Y295 HydrophobicContact CE3-CG 4.39Å; W244-Y295 HydrophobicContact CG-CD2 4.34Å; W244-Y295 AromaticContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CE2 4.45Å; W244-Y295 HydrophobicContact CH2-CG 4.22Å; W244-Y295 HydrophobicContact CZ2-CD2 4.01Å; W244-Y295 HydrophobicContact CZ2-CG 4.11Å; W244-Y295 AromaticContact CZ3-CD2 3.5Å; W244-Y295 HydrophobicContact CZ3-CD2 3.5Å; W244-Y295 VanDerWaalsContact CZ3-CD2 3.5Å; W244-Y295 AromaticContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CG 4.37Å; W244-A298 HydrophobicContact CB-CB 4Å; W244-F319 HydrophobicContact CB-CE1 4.34Å
245C90.3Very high70.5Confident33 Ų3376 Ų7622%0.22345%0.453CS..EExtended strand (participates in β ladder)trans-85.6121.5-176.5-167.40000110.8K320C245-K320 HydrophobicContact CB-CB 4.04Å; C245-K320 HydrophobicContact CB-CD 4.08Å; C245-K320 VanDerWaalsContact O-CB 3.31Å; C245-K320 WeakPolarHBondContact O-CB 3.21Å; C245-K320 PolarHBondContact O-N 2.98Å; C245-K320 VanDerWaalsContact SG-CD 3.51Å
246I93.5Very high73.4Confident0 Ų072 Ų720%043%0.432CS..EExtended strand (participates in β ladder)trans-102.6132.8176.9-53.3176000107.6I248 F264 F289 V290 M292 A298 A301 I302 V317 S318I246-I248 HydrophobicContact CB-CD1 4.5Å; I246-I248 HydrophobicContact CG2-CD1 4.18Å; I246-I248 HydrophobicContact CG2-CG1 4.48Å; I246-F264 HydrophobicContact CD1-CD1 4.05Å; I246-F264 HydrophobicContact CD1-CE1 3.68Å; I246-F264 HydrophobicContact CG2-CE1 4.08Å; I246-F264 HydrophobicContact CG2-CZ 4.28Å; I246-F289 VanDerWaalsContact O-CA 3.27Å; I246-F289 WeakPolarHBondContact O-CA 3.33Å; I246-V290 WeakPolarHBondContact CB-O 3.44Å; I246-V290 PolarHBondContact N-O 3.3Å; I246-V290 PolarHBondContact O-N 3.24Å; I246-M292 HydrophobicContact CD1-CG 3.95Å; I246-M292 HydrophobicContact CD1-SD 3.65Å; I246-A298 HydrophobicContact CD1-CB 3.85Å; I246-A298 HydrophobicContact CG1-CB 4.29Å; I246-A301 HydrophobicContact CD1-CB 4.48Å; I246-I302 HydrophobicContact CD1-CD1 4.48Å; I246-I302 HydrophobicContact CD1-CG1 4.29Å; I246-I302 HydrophobicContact CG1-CD1 4.21Å; I246-I302 HydrophobicContact CG1-CG1 4.38Å; I246-I302 HydrophobicContact CG2-CD1 4.29Å; I246-I302 HydrophobicContact CG2-CG1 3.86Å; I246-V317 HydrophobicContact CG2-CG1 3.41Å; I246-V317 VanDerWaalsContact CG2-CG1 3.41Å; I246-S318 CarbonylContact C-O 3.47Å; I246-S318 WeakPolarHBondContact CA-O 2.92Å; I246-S318 WeakPolarHBondContact CG2-O 3.44Å
247F94.1Very high76Confident56 Ų5669.3 Ų69.325%0.24641%0.411CS..EExtended strand (participates in β ladder)trans-97.4131172175.6-116.5000109.4Y249 F287 F289 V317 S318F247-Y249 HydrophobicContact CE1-CD2 4.18Å; F247-Y249 HydrophobicContact CE1-CG 4.19Å; F247-Y249 AromaticContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CG 4.16Å; F247-F287 HydrophobicContact CE2-CB 3.86Å; F247-F287 AromaticContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CG 4.1Å; F247-F287 HydrophobicContact CZ-CB 4.15Å; F247-F289 HydrophobicContact CB-CD1 4.45Å; F247-F289 HydrophobicContact CB-CE1 4.38Å; F247-F289 HydrophobicContact CD2-CD1 4.01Å; F247-F289 AromaticContact CD2-CE1 3.45Å; F247-F289 HydrophobicContact CD2-CE1 3.45Å; F247-F289 VanDerWaalsContact CD2-CE1 3.45Å; F247-F289 AromaticContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CE2-CE1 4.16Å; F247-F289 HydrophobicContact CE2-CZ 4.13Å; F247-F289 HydrophobicContact CG-CE1 4.33Å; F247-V317 WeakPolarHBondContact O-CA 3.37Å; F247-S318 PolarHBondContact N-O 3.11Å; F247-S318 PolarHBondContact O-N 3.13Å
248I94Very high78.5Confident0 Ų065 Ų650%039%0.39CS..EExtended strand (participates in β ladder)trans-119.5122.6178-55.687.4000107.4I246 L251 L260 F264 F287 G288 V290 Q316 V317I246-I248 HydrophobicContact CB-CD1 4.5Å; I246-I248 HydrophobicContact CG2-CD1 4.18Å; I246-I248 HydrophobicContact CG2-CG1 4.48Å; I248-L251 HydrophobicContact CG2-CD1 4.34Å; I248-L251 HydrophobicContact CG2-CD2 3.77Å; I248-L251 HydrophobicContact CG2-CG 4Å; I248-L260 HydrophobicContact CG1-CD2 4.47Å; I248-L260 HydrophobicContact CG2-CD2 4.35Å; I248-F264 HydrophobicContact CD1-CE2 4.23Å; I248-F264 HydrophobicContact CD1-CZ 4.04Å; I248-F264 HydrophobicContact CG1-CE2 3.96Å; I248-F264 HydrophobicContact CG1-CZ 3.76Å; I248-F287 CarbonylContact O-C 3.45Å; I248-F287 WeakPolarHBondContact O-CA 3.46Å; I248-F287 VanDerWaalsContact O-CB 3.27Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; I248-G288 PolarHBondContact N-O 3.49Å; I248-G288 PolarHBondContact O-N 3.12Å; I248-V290 HydrophobicContact CD1-CB 3.94Å; I248-V290 HydrophobicContact CD1-CG2 3.6Å; I248-Q316 CarbonylContact C-O 3.58Å; I248-Q316 WeakPolarHBondContact CA-O 3.28Å; I248-V317 HydrophobicContact CG1-CG1 4.31Å; I248-V317 HydrophobicContact CG1-CG2 4.44Å; I248-V317 HydrophobicContact CG2-CG2 4.31Å
249Y92.6Very high81.1Confident109 Ų10964 Ų6443%0.42737%0.368SS..EExtended strand (participates in β ladder)trans-121.2161.3-179.3-171.4-101.4000111.1F247 G286 F287 Q316F247-Y249 HydrophobicContact CE1-CD2 4.18Å; F247-Y249 HydrophobicContact CE1-CG 4.19Å; F247-Y249 AromaticContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CD2 3.71Å; F247-Y249 HydrophobicContact CZ-CG 4.16Å; Y249-G286 CarbonylContact C-O 3.55Å; Y249-F287 HydrophobicContact CD2-CB 3.79Å; Y249-Q316 PolarHBondContact N-O 3.37Å; Y249-Q316 PolarHBondContact O-N 3.13Å
250N91.2Very high83.5Confident50 Ų5056.1 Ų56.127%0.26733%0.326SS..SBendtrans63.938-175-159.834000113.8G286 K313 I314N250-G286 WeakPolarHBondContact CA-O 3.13Å; N250-G286 PolarHBondContact N-O 3.02Å; N250-K313 VanDerWaalsContact O-CB 3.29Å; N250-K313 WeakPolarHBondContact O-CB 3.12Å; N250-I314 WeakPolarHBondContact CB-O 3.45Å; N250-I314 PolarHBondContact ND2-N 2.81Å; N250-I314 PolarHBondContact ND2-O 2.92Å
251L91.3Very high86Confident5 Ų557.8 Ų57.83%0.02631%0.314CS..  trans-68.8149.1170.7-68.3171.9000111.4I248 A255 L260 G286 L310 L315I248-L251 HydrophobicContact CG2-CD1 4.34Å; I248-L251 HydrophobicContact CG2-CD2 3.77Å; I248-L251 HydrophobicContact CG2-CG 4Å; L251-A255 HydrophobicContact CB-CB 3.96Å; L251-A255 HydrophobicContact CD2-CB 4.3Å; L251-L260 HydrophobicContact CD1-CD1 4.24Å; L251-L260 HydrophobicContact CD2-CD2 4.02Å; L251-G286 PolarHBondContact N-O 3.32Å; L251-G286 WeakPolarHBondContact O-CA 3.16Å; L251-L310 HydrophobicContact CD2-CD2 4.48Å; L251-L315 HydrophobicContact CD2-CD2 3.72Å
252G86.6Confident88.1Confident20 Ų2059.5 Ų59.521%0.20631%0.31CS..  trans-63.8152.317000000111.5D254 A255 C284G252-D254 PolarHBondContact O-N 2.92Å; G252-D254 VanDerWaalsContact O-N 3.16Å; G252-A255 WeakPolarHBondContact O-CB 3.43Å; G252-A255 PolarHBondContact O-N 3.37Å; G252-C284 WeakPolarHBondContact O-CB 3.18Å
253Q85.9Confident89.1Confident105 Ų10554.8 Ų54.849%0.49128%0.275SS..THydrogen-bonded Turntrans-60.5-25.317968.1-178.922.400113K283 C284Q253-K283 HydrophobicContact CB-CD 4.43Å; Q253-C284 WeakPolarHBondContact O-CB 3.25Å; Q253-C284 PolarHBondContact O-N 3.09Å
254D83.5Confident89.8Confident123 Ų12354.1 Ų54.166%0.65827%0.268SS*.THydrogen-bonded Turntrans-95.62.9179.7-52.6-59000112.4G252G252-D254 PolarHBondContact O-N 2.92Å; G252-D254 VanDerWaalsContact O-N 3.16Å
255A85.4Confident90Very high8 Ų850.3 Ų50.37%0.06627%0.265CS..  trans-68.1137.7177.700000111.5L251 G252 I259L251-A255 HydrophobicContact CB-CB 3.96Å; L251-A255 HydrophobicContact CD2-CB 4.3Å; G252-A255 WeakPolarHBondContact O-CB 3.43Å; G252-A255 PolarHBondContact O-N 3.37Å; A255-I259 HydrophobicContact CB-CG2 4.38Å
256D88.9Confident90.1Very high70 Ų7054 Ų5437%0.37429%0.288SS..  trans-124.1176.4-179.277.5-52.3000113.1G258 I259 R277D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact OD2-CA 3.3Å; D256-G258 WeakPolarHBondContact OD2-CA 3.44Å; D256-G258 PolarHBondContact OD2-N 2.81Å; D256-I259 WeakPolarHBondContact O-CG2 3.33Å; D256-I259 WeakPolarHBondContact OD1-CG2 3.42Å; D256-I259 PolarHBondContact OD1-N 3.36Å; D256-R277 VanDerWaalsContact CA-NH2 3.32Å
257E90.2Very high89.9Confident64 Ų6456.6 Ų56.630%0.29930%0.3SS..Hα-helixtrans-65.2-32.2177.6-68.577.6-179.600111.5L260 W261 V273 V275 R277E257-L260 PolarHBondContact O-N 2.76Å; E257-W261 VanDerWaalsContact O-CD1 3.23Å; E257-W261 PolarHBondContact O-N 3.03Å; E257-V273 HydrophobicContact CB-CG1 4.08Å; E257-V273 HydrophobicContact CG-CG1 4.25Å; E257-V275 HydrophobicContact CG-CB 4.44Å; E257-V275 HydrophobicContact CG-CG2 4.08Å; E257-V275 PolarHBondContact OE1-N 2.74Å; E257-R277 IonicContact OE1-NE 3.43Å; E257-R277 IonicContact OE2-CZ 2.75Å; E257-R277 IonicContact OE2-NE 2.74Å; E257-R277 IonicContact OE2-NH2 2.9Å; E257-R277 PolarHBondContact OE2-NH2 3.34Å
258G89.4Confident89.6Confident37 Ų3754.7 Ų54.738%0.38130%0.296SS..Hα-helixtrans-62-46.5-18000000112.8D256 L260 W261 Q262D256-G258 PolarHBondContact O-N 3.32Å; D256-G258 VanDerWaalsContact OD2-CA 3.3Å; D256-G258 WeakPolarHBondContact OD2-CA 3.44Å; D256-G258 PolarHBondContact OD2-N 2.81Å; G258-L260 VanDerWaalsContact C-N 3.3Å; G258-L260 PolarHBondContact O-N 2.85Å; G258-W261 WeakPolarHBondContact O-CB 3.22Å; G258-W261 PolarHBondContact O-N 3.37Å; G258-Q262 PolarHBondContact O-N 2.76Å
259I89.6Confident89.3Confident49 Ų4957.4 Ų57.425%0.25132%0.319SS..Hα-helixtrans-63.5-36.1178-168.766.2000112.3A255 D256 Q262 M263 L310A255-I259 HydrophobicContact CB-CG2 4.38Å; D256-I259 WeakPolarHBondContact O-CG2 3.33Å; D256-I259 WeakPolarHBondContact OD1-CG2 3.42Å; D256-I259 PolarHBondContact OD1-N 3.36Å; I259-Q262 PolarHBondContact O-N 2.83Å; I259-M263 HydrophobicContact CG1-CE 4Å; I259-M263 WeakPolarHBondContact O-CG 3.36Å; I259-M263 PolarHBondContact O-N 3.02Å; I259-L310 HydrophobicContact CD1-CD1 4.38Å; I259-L310 HydrophobicContact CG1-CD1 4.12Å; I259-L310 HydrophobicContact CG1-CD2 4.3Å
260L91Very high89.2Confident0 Ų053 Ų530%030%0.303CS..Hα-helixtrans-69.5-40.5175.7-70.3-176.3000111.8I248 L251 E257 G258 Q262 M263 F264 V273 V275 V290I248-L260 HydrophobicContact CG1-CD2 4.47Å; I248-L260 HydrophobicContact CG2-CD2 4.35Å; L251-L260 HydrophobicContact CD1-CD1 4.24Å; L251-L260 HydrophobicContact CD2-CD2 4.02Å; E257-L260 PolarHBondContact O-N 2.76Å; G258-L260 VanDerWaalsContact C-N 3.3Å; G258-L260 PolarHBondContact O-N 2.85Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.82Å; L260-M263 HydrophobicContact CD2-CE 3.82Å; L260-M263 PolarHBondContact O-N 2.93Å; L260-F264 HydrophobicContact CD2-CE2 4.26Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 VanDerWaalsContact O-CD2 3.31Å; L260-F264 WeakPolarHBondContact O-CD2 3.07Å; L260-F264 PolarHBondContact O-N 2.76Å; L260-V273 HydrophobicContact CB-CG1 3.62Å; L260-V273 HydrophobicContact CD1-CG1 3.84Å; L260-V273 HydrophobicContact CG-CG1 4.37Å; L260-V275 HydrophobicContact CD1-CG2 3.69Å; L260-V290 HydrophobicContact CB-CG2 4.2Å; L260-V290 HydrophobicContact CD1-CG2 4.3Å
261W90.6Very high89Confident115 Ų11554 Ų5444%0.43631%0.311SS..Hα-helixtrans-58.2-44.4172.6-90.9106.2000112E257 G258 G265 V270 V273E257-W261 VanDerWaalsContact O-CD1 3.23Å; E257-W261 PolarHBondContact O-N 3.03Å; G258-W261 WeakPolarHBondContact O-CB 3.22Å; G258-W261 PolarHBondContact O-N 3.37Å; W261-G265 WeakPolarHBondContact O-CA 3.47Å; W261-G265 PolarHBondContact O-N 2.7Å; W261-V270 HydrophobicContact CD2-CB 4.47Å; W261-V270 HydrophobicContact CD2-CG1 4.1Å; W261-V270 HydrophobicContact CE3-CB 3.74Å; W261-V270 HydrophobicContact CE3-CG1 3.86Å; W261-V270 HydrophobicContact CE3-CG2 4.43Å; W261-V270 HydrophobicContact CH2-CB 3.8Å; W261-V270 HydrophobicContact CH2-CG1 3.7Å; W261-V270 WeakPolarHBondContact CH2-O 3.48Å; W261-V270 HydrophobicContact CZ2-CB 4.48Å; W261-V270 HydrophobicContact CZ2-CG1 3.89Å; W261-V270 HydrophobicContact CZ3-CB 3.4Å; W261-V270 HydrophobicContact CZ3-CG1 3.7Å; W261-V270 HydrophobicContact CZ3-CG2 4.45Å; W261-V270 WeakPolarHBondContact CZ3-O 3.47Å; W261-V273 HydrophobicContact CD2-CG2 3.79Å; W261-V273 VanDerWaalsContact CE2-CG2 3.47Å; W261-V273 HydrophobicContact CG-CG2 3.81Å; W261-V273 HydrophobicContact CZ2-CG2 4.12Å; W261-V273 VanDerWaalsContact NE1-CG2 3.27Å
262Q89.9Confident88.7Confident151 Ų15158 Ų5871%0.70633%0.332SS*.Hα-helixtrans-69.3-36.2-179.2-172.5166.6-8.700112.9G258 I259 L260 P266G258-Q262 PolarHBondContact O-N 2.76Å; I259-Q262 PolarHBondContact O-N 2.83Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.82Å; Q262-P266 VanDerWaalsContact O-CD 3.24Å; Q262-P266 WeakPolarHBondContact O-CD 3.26Å
263M88.9Confident89Confident22 Ų2258 Ų5811%0.10833%0.328CS..Hα-helixtrans-72.7-37.9177.1-73.9-167.5-73.300113I259 L260 F267 L305 Y308 L310 L315I259-M263 HydrophobicContact CG1-CE 4Å; I259-M263 WeakPolarHBondContact O-CG 3.36Å; I259-M263 PolarHBondContact O-N 3.02Å; L260-M263 HydrophobicContact CD2-CE 3.82Å; L260-M263 PolarHBondContact O-N 2.93Å; M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 VanDerWaalsContact O-CE2 3.26Å; M263-F267 WeakPolarHBondContact O-CE2 3.46Å; M263-L305 HydrophobicContact CB-CD1 4.3Å; M263-L305 HydrophobicContact CB-CD2 4.43Å; M263-Y308 HydrophobicContact SD-CD1 4.07Å; M263-Y308 HydrophobicContact SD-CE1 4.01Å; M263-L310 HydrophobicContact CE-CD1 4.48Å; M263-L310 HydrophobicContact CE-CD2 3.88Å; M263-L310 HydrophobicContact SD-CD1 4.31Å; M263-L315 HydrophobicContact CE-CD1 3.84Å; M263-L315 HydrophobicContact SD-CD1 4.04Å
264F92.6Very high89.1Confident2 Ų257.8 Ų57.81%0.00933%0.325CS..Hα-helixtrans-91.1-21.1-176-77.1-97.3000113.9I246 I248 L260 F267 V270 V290 M292 A301 L305 V317I246-F264 HydrophobicContact CD1-CD1 4.05Å; I246-F264 HydrophobicContact CD1-CE1 3.68Å; I246-F264 HydrophobicContact CG2-CE1 4.08Å; I246-F264 HydrophobicContact CG2-CZ 4.28Å; I248-F264 HydrophobicContact CD1-CE2 4.23Å; I248-F264 HydrophobicContact CD1-CZ 4.04Å; I248-F264 HydrophobicContact CG1-CE2 3.96Å; I248-F264 HydrophobicContact CG1-CZ 3.76Å; L260-F264 HydrophobicContact CD2-CE2 4.26Å; L260-F264 WeakPolarHBondContact O-CB 3.27Å; L260-F264 VanDerWaalsContact O-CD2 3.31Å; L260-F264 WeakPolarHBondContact O-CD2 3.07Å; L260-F264 PolarHBondContact O-N 2.76Å; F264-F267 PolarHBondContact O-N 2.75Å; F264-F267 VanDerWaalsContact O-N 3.12Å; F264-V270 HydrophobicContact CB-CG2 3.75Å; F264-V290 HydrophobicContact CB-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 3.96Å; F264-V290 HydrophobicContact CD2-CG1 4.46Å; F264-V290 HydrophobicContact CD2-CG2 3.92Å; F264-V290 HydrophobicContact CE2-CG2 4.06Å; F264-V290 HydrophobicContact CG-CB 4.39Å; F264-V290 HydrophobicContact CG-CG1 3.91Å; F264-V290 HydrophobicContact CG-CG2 4.21Å; F264-V290 HydrophobicContact CZ-CG2 4.47Å; F264-M292 HydrophobicContact CD1-SD 4.11Å; F264-A301 HydrophobicContact CD1-CB 3.82Å; F264-A301 HydrophobicContact CE1-CB 3.93Å; F264-L305 HydrophobicContact CD1-CD1 3.95Å; F264-L305 HydrophobicContact CD2-CD1 3.81Å; F264-L305 HydrophobicContact CE1-CD1 3.73Å; F264-L305 HydrophobicContact CE2-CD1 3.61Å; F264-L305 HydrophobicContact CG-CD1 3.99Å; F264-L305 HydrophobicContact CZ-CD1 3.57Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 3.85Å
265G90.4Very high89.5Confident38 Ų3852.3 Ų52.339%0.39230%0.296SS..G310 helixtrans-55.4-41.2179.600000115.5W261 F267 G268W261-G265 WeakPolarHBondContact O-CA 3.47Å; W261-G265 PolarHBondContact O-N 2.7Å; G265-F267 PolarHBondContact O-N 2.9Å; G265-G268 PolarHBondContact O-N 3.43Å
266P92.1Very high89.7Confident110 Ų11053.7 Ų53.771%0.71430%0.302SS*.G310 helixtrans-63.4-21.8177.4-25.435.3000114.5Q262Q262-P266 VanDerWaalsContact O-CD 3.24Å; Q262-P266 WeakPolarHBondContact O-CD 3.26Å
267F90.1Very high89.7Confident55 Ų5554.4 Ų54.424%0.24130%0.3CS..G310 helixtrans-89.8-20.7-177.1-61.9-79.8000113M263 F264 G265 M292 E297 M300 A301 S304 L305M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 VanDerWaalsContact O-CE2 3.26Å; M263-F267 WeakPolarHBondContact O-CE2 3.46Å; F264-F267 PolarHBondContact O-N 2.75Å; F264-F267 VanDerWaalsContact O-N 3.12Å; G265-F267 PolarHBondContact O-N 2.9Å; F267-M292 HydrophobicContact CB-CE 4.09Å; F267-E297 WeakPolarHBondContact O-CB 3.35Å; F267-E297 VanDerWaalsContact O-CG 3.24Å; F267-E297 WeakPolarHBondContact O-CG 3.26Å; F267-M300 HydrophobicContact CD1-CB 4.46Å; F267-A301 HydrophobicContact CB-CB 3.72Å; F267-A301 HydrophobicContact CD1-CB 4.21Å; F267-A301 HydrophobicContact CD2-CB 3.94Å; F267-A301 HydrophobicContact CG-CB 3.68Å; F267-S304 WeakPolarHBondContact CE1-OG 3.42Å; F267-S304 VanDerWaalsContact CZ-CB 3.46Å; F267-L305 HydrophobicContact CD2-CD1 4.24Å; F267-L305 HydrophobicContact CE2-CD1 3.84Å; F267-L305 HydrophobicContact CE2-CD2 4.14Å; F267-L305 HydrophobicContact CE2-CG 3.91Å; F267-L305 HydrophobicContact CZ-CG 4.3Å
268G86.9Confident89.4Confident16 Ų1653.3 Ų53.317%0.16530%0.296CS..SBendtrans162.6176.9-17600000115.5G265 V270 E297G265-G268 PolarHBondContact O-N 3.43Å; G268-V270 PolarHBondContact O-N 2.78Å; G268-V270 VanDerWaalsContact O-N 3.14Å; G268-E297 WeakPolarHBondContact CA-OE2 3.4Å
269A87.3Confident88.8Confident57 Ų5759.9 Ų59.947%0.47131%0.314SS..  trans-72.1110.2179.900000111T293 E297A269-T293 HydrophobicContact CB-CG2 4.09Å; A269-T293 PolarHBondContact O-N 2.94Å; A269-T293 PolarHBondContact O-OG1 2.9Å; A269-E297 PolarHBondContact N-OE2 2.71Å
270V90.8Very high88.3Confident15 Ų1564 Ų649%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-82.7130174.2175.40000109.2W261 F264 G268 V273 V290 M292W261-V270 HydrophobicContact CD2-CB 4.47Å; W261-V270 HydrophobicContact CD2-CG1 4.1Å; W261-V270 HydrophobicContact CE3-CB 3.74Å; W261-V270 HydrophobicContact CE3-CG1 3.86Å; W261-V270 HydrophobicContact CE3-CG2 4.43Å; W261-V270 HydrophobicContact CH2-CB 3.8Å; W261-V270 HydrophobicContact CH2-CG1 3.7Å; W261-V270 WeakPolarHBondContact CH2-O 3.48Å; W261-V270 HydrophobicContact CZ2-CB 4.48Å; W261-V270 HydrophobicContact CZ2-CG1 3.89Å; W261-V270 HydrophobicContact CZ3-CB 3.4Å; W261-V270 HydrophobicContact CZ3-CG1 3.7Å; W261-V270 HydrophobicContact CZ3-CG2 4.45Å; W261-V270 WeakPolarHBondContact CZ3-O 3.47Å; F264-V270 HydrophobicContact CB-CG2 3.75Å; G268-V270 PolarHBondContact O-N 2.78Å; G268-V270 VanDerWaalsContact O-N 3.14Å; V270-V273 HydrophobicContact CG1-CG2 3.41Å; V270-V273 VanDerWaalsContact CG1-CG2 3.41Å; V270-V290 HydrophobicContact CG1-CG1 3.81Å; V270-V290 HydrophobicContact CG2-CG1 4.07Å; V270-M292 HydrophobicContact CG2-CG 4.44Å
271T87.4Confident87.8Confident72 Ų7268.1 Ų68.144%0.44236%0.362SS..EExtended strand (participates in β ladder)trans-101-30-179.2590000112.6T291 T293T271-T291 PolarHBondContact N-O 3.04Å; T271-T291 WeakPolarHBondContact OG1-CB 3.44Å; T271-T291 WeakPolarHBondContact OG1-CG2 3.49Å; T271-T291 PolarHBondContact OG1-O 3.37Å; T271-T293 HydrophobicContact CG2-CG2 3.29Å
272N85.9Confident87.2Confident89 Ų8968.3 Ų68.348%0.47637%0.372SS..EExtended strand (participates in β ladder)trans-153.7138.5-178.3-155.8-90.9000110.7V290 T291N272-V290 CarbonylContact O-C 3.54Å; N272-V290 WeakPolarHBondContact O-CA 3.16Å; N272-T291 PolarHBondContact N-O 3.13Å; N272-T291 PolarHBondContact O-N 3.02Å
273V91.1Very high86.8Confident19 Ų1965.4 Ų65.412%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-130.4134.2171.9-179.20000107.7E257 L260 W261 V270 F289 V290E257-V273 HydrophobicContact CB-CG1 4.08Å; E257-V273 HydrophobicContact CG-CG1 4.25Å; L260-V273 HydrophobicContact CB-CG1 3.62Å; L260-V273 HydrophobicContact CD1-CG1 3.84Å; L260-V273 HydrophobicContact CG-CG1 4.37Å; W261-V273 HydrophobicContact CD2-CG2 3.79Å; W261-V273 VanDerWaalsContact CE2-CG2 3.47Å; W261-V273 HydrophobicContact CG-CG2 3.81Å; W261-V273 HydrophobicContact CZ2-CG2 4.12Å; W261-V273 VanDerWaalsContact NE1-CG2 3.27Å; V270-V273 HydrophobicContact CG1-CG2 3.41Å; V270-V273 VanDerWaalsContact CG1-CG2 3.41Å; V273-F289 CarbonylContact C-O 3.55Å; V273-F289 WeakPolarHBondContact CA-O 3.34Å; V273-V290 HydrophobicContact CG1-CG2 4.24Å; V273-V290 HydrophobicContact CG2-CG1 4.44Å; V273-V290 HydrophobicContact CG2-CG2 4.16Å
274K90.1Very high86.6Confident101 Ų10164.9 Ų64.944%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-142.3117.1178.7-175.2174.6-175.9171.60110.5I276 G288 F289K274-I276 HydrophobicContact CD-CD1 4.06Å; K274-I276 HydrophobicContact CG-CD1 4.07Å; K274-G288 CarbonylContact O-C 3.59Å; K274-G288 WeakPolarHBondContact O-CA 3.29Å; K274-F289 PolarHBondContact N-O 2.8Å; K274-F289 PolarHBondContact O-N 3.15Å
275V91.5Very high86.3Confident8 Ų870.1 Ų70.15%0.04838%0.378CS..EExtended strand (participates in β ladder)trans-92132.8169.1179.40000108.9E257 L260 R277 C284E257-V275 HydrophobicContact CG-CB 4.44Å; E257-V275 HydrophobicContact CG-CG2 4.08Å; E257-V275 PolarHBondContact OE1-N 2.74Å; L260-V275 HydrophobicContact CD1-CG2 3.69Å; V275-R277 HydrophobicContact CG1-CG 4.28Å; V275-C284 HydrophobicContact CG1-CB 3.95Å; V275-C284 WeakPolarHBondContact CG1-SG 3.46Å
276I88.5Confident86.1Confident37 Ų3769 Ų6919%0.1937%0.366CS..EExtended strand (participates in β ladder)trans-86.4119.9175.2-56.6-53.5000108.4K274 K285 F287 F289K274-I276 HydrophobicContact CD-CD1 4.06Å; K274-I276 HydrophobicContact CG-CD1 4.07Å; I276-K285 HydrophobicContact CG2-CB 4.45Å; I276-K285 HydrophobicContact CG2-CD 3.91Å; I276-K285 HydrophobicContact CG2-CG 4.2Å; I276-K285 PolarHBondContact O-N 3.26Å; I276-F287 HydrophobicContact CB-CD2 4.02Å; I276-F287 HydrophobicContact CB-CE1 4.31Å; I276-F287 HydrophobicContact CB-CE2 3.67Å; I276-F287 HydrophobicContact CB-CZ 3.82Å; I276-F287 HydrophobicContact CG1-CD2 3.76Å; I276-F287 HydrophobicContact CG1-CE2 3.39Å; I276-F287 HydrophobicContact CG1-CZ 4.02Å; I276-F287 HydrophobicContact CG2-CE1 4.21Å; I276-F287 HydrophobicContact CG2-CE2 3.96Å; I276-F287 HydrophobicContact CG2-CZ 3.65Å; I276-F287 PolarHBondContact N-O 3.3Å; I276-F289 HydrophobicContact CD1-CD2 4.35Å; I276-F289 HydrophobicContact CD1-CE2 4.14Å; I276-F289 HydrophobicContact CG1-CD2 4.24Å; I276-F289 HydrophobicContact CG1-CE2 3.81Å
277R89.9Confident86.2Confident86 Ų8666.4 Ų66.433%0.32534%0.343SS..EExtended strand (participates in β ladder)trans-111.2150.5-179.4-62.5173.5-172.1-91.43.8110.8D256 E257 V275 N282 K283 K285D256-R277 VanDerWaalsContact CA-NH2 3.32Å; E257-R277 IonicContact OE1-NE 3.43Å; E257-R277 IonicContact OE2-CZ 2.75Å; E257-R277 IonicContact OE2-NE 2.74Å; E257-R277 IonicContact OE2-NH2 2.9Å; E257-R277 PolarHBondContact OE2-NH2 3.34Å; V275-R277 HydrophobicContact CG1-CG 4.28Å; R277-N282 WeakPolarHBondContact CD-O 3.28Å; R277-K283 CarbonylContact C-O 3.54Å; R277-K283 WeakPolarHBondContact CA-O 3.42Å; R277-K283 WeakPolarHBondContact CB-O 3.45Å; R277-K285 VanDerWaalsContact C-CG 3.43Å
278D83.4Confident86.2Confident41 Ų4163.8 Ų63.822%0.21933%0.332CS..  trans-72.8135.7173.2-167-91.1000109.7N280 N282 K283 K285D278-N280 VanDerWaalsContact C-N 3.28Å; D278-N280 PolarHBondContact O-N 3.19Å; D278-N280 PolarHBondContact OD1-N 2.92Å; D278-N282 VanDerWaalsContact O-CA 3.26Å; D278-N282 WeakPolarHBondContact O-CA 3.46Å; D278-N282 PolarHBondContact O-N 3.15Å; D278-K283 PolarHBondContact N-O 3Å; D278-K285 HydrophobicContact CB-CD 4.32Å; D278-K285 HydrophobicContact CB-CG 4.03Å; D278-K285 VanDerWaalsContact N-CG 3.29Å; D278-K285 WeakPolarHBondContact OD2-CE 3.38Å; D278-K285 IonicContact OD2-NZ 3.47Å; D278-K285 PolarHBondContact OD2-NZ 3.25Å; D278-K285 VanDerWaalsContact OD2-NZ 3.16Å
279F77.4Confident86.6Confident174 Ų17465 Ų6576%0.76333%0.333SS*.THydrogen-bonded Turntrans-66.2-31-174.7-177.9-99.2000112.8
280N77.7Confident86.9Confident136 Ų13662.3 Ų62.373%0.72731%0.311SS*.THydrogen-bonded Turntrans-86.9-33-174.5-57.1-61.6000112.2D278D278-N280 VanDerWaalsContact C-N 3.28Å; D278-N280 PolarHBondContact O-N 3.19Å; D278-N280 PolarHBondContact OD1-N 2.92Å
281T81.6Confident86.9Confident86 Ų8662.7 Ų62.753%0.52831%0.313SS..THydrogen-bonded Turntrans-109.1-9.3-173.764.40000113.8K283T281-K283 PolarHBondContact O-N 3.44Å; T281-K283 PolarHBondContact OG1-N 3.24Å
282N77.5Confident87.1Confident119 Ų11959.3 Ų59.364%0.63629%0.292SS*.  trans5410.2-170.2-81-61.2000115.1R277 D278R277-N282 WeakPolarHBondContact CD-O 3.28Å; D278-N282 VanDerWaalsContact O-CA 3.26Å; D278-N282 WeakPolarHBondContact O-CA 3.46Å; D278-N282 PolarHBondContact O-N 3.15Å
283K82.1Confident87.1Confident91 Ų9157.6 Ų57.640%0.39629%0.285SS..  trans-83152.3177.2-64.9-165.5174.2-164.40111.4Q253 R277 D278 T281 K285Q253-K283 HydrophobicContact CB-CD 4.43Å; R277-K283 CarbonylContact C-O 3.54Å; R277-K283 WeakPolarHBondContact CA-O 3.42Å; R277-K283 WeakPolarHBondContact CB-O 3.45Å; D278-K283 PolarHBondContact N-O 3Å; T281-K283 PolarHBondContact O-N 3.44Å; T281-K283 PolarHBondContact OG1-N 3.24Å; K283-K285 PolarHBondContact O-N 2.85Å
284C84.8Confident87Confident11 Ų1160.4 Ų60.47%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-60132.1175.9-177.60000110.5G252 Q253 V275 G286G252-C284 WeakPolarHBondContact O-CB 3.18Å; Q253-C284 WeakPolarHBondContact O-CB 3.25Å; Q253-C284 PolarHBondContact O-N 3.09Å; V275-C284 HydrophobicContact CG1-CB 3.95Å; V275-C284 WeakPolarHBondContact CG1-SG 3.46Å; C284-G286 PolarHBondContact O-N 3.32Å; C284-G286 PolarHBondContact SG-N 2.82Å
285K85.1Confident86.9Confident112 Ų11261.1 Ų61.149%0.48730%0.3SS..EExtended strand (participates in β ladder)trans-76.18.5174.2-53.8-164.491.3162.40112.8I276 R277 D278 K283 F287I276-K285 HydrophobicContact CG2-CB 4.45Å; I276-K285 HydrophobicContact CG2-CD 3.91Å; I276-K285 HydrophobicContact CG2-CG 4.2Å; I276-K285 PolarHBondContact O-N 3.26Å; R277-K285 VanDerWaalsContact C-CG 3.43Å; D278-K285 HydrophobicContact CB-CD 4.32Å; D278-K285 HydrophobicContact CB-CG 4.03Å; D278-K285 VanDerWaalsContact N-CG 3.29Å; D278-K285 WeakPolarHBondContact OD2-CE 3.38Å; D278-K285 IonicContact OD2-NZ 3.47Å; D278-K285 PolarHBondContact OD2-NZ 3.25Å; D278-K285 VanDerWaalsContact OD2-NZ 3.16Å; K283-K285 PolarHBondContact O-N 2.85Å; K285-F287 HydrophobicContact CB-CD1 4.15Å; K285-F287 HydrophobicContact CB-CE1 3.82Å
286G87.9Confident86.8Confident13 Ų1368 Ų6813%0.13433%0.332CS..EExtended strand (participates in β ladder)trans87.113.5179.700000114.8Y249 N250 L251 C284Y249-G286 CarbonylContact C-O 3.55Å; N250-G286 WeakPolarHBondContact CA-O 3.13Å; N250-G286 PolarHBondContact N-O 3.02Å; L251-G286 PolarHBondContact N-O 3.32Å; L251-G286 WeakPolarHBondContact O-CA 3.16Å; C284-G286 PolarHBondContact O-N 3.32Å; C284-G286 PolarHBondContact SG-N 2.82Å
287F92.4Very high86.9Confident56 Ų5668.7 Ų68.725%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-152.4158175.767.2-84.8000114F247 I248 Y249 I276 K285 F289F247-F287 HydrophobicContact CE2-CB 3.86Å; F247-F287 AromaticContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CD2 3.75Å; F247-F287 HydrophobicContact CE2-CG 4.1Å; F247-F287 HydrophobicContact CZ-CB 4.15Å; I248-F287 CarbonylContact O-C 3.45Å; I248-F287 WeakPolarHBondContact O-CA 3.46Å; I248-F287 VanDerWaalsContact O-CB 3.27Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; Y249-F287 HydrophobicContact CD2-CB 3.79Å; I276-F287 HydrophobicContact CB-CD2 4.02Å; I276-F287 HydrophobicContact CB-CE1 4.31Å; I276-F287 HydrophobicContact CB-CE2 3.67Å; I276-F287 HydrophobicContact CB-CZ 3.82Å; I276-F287 HydrophobicContact CG1-CD2 3.76Å; I276-F287 HydrophobicContact CG1-CE2 3.39Å; I276-F287 HydrophobicContact CG1-CZ 4.02Å; I276-F287 HydrophobicContact CG2-CE1 4.21Å; I276-F287 HydrophobicContact CG2-CE2 3.96Å; I276-F287 HydrophobicContact CG2-CZ 3.65Å; I276-F287 PolarHBondContact N-O 3.3Å; K285-F287 HydrophobicContact CB-CD1 4.15Å; K285-F287 HydrophobicContact CB-CE1 3.82Å; F287-F289 HydrophobicContact CD2-CE2 4.06Å; F287-F289 HydrophobicContact CD2-CZ 4.27Å; F287-F289 HydrophobicContact CE2-CE2 4.1Å; F287-F289 HydrophobicContact CE2-CZ 4.32Å
288G92.1Very high87Confident0 Ų064.6 Ų64.60%032%0.319CS..EExtended strand (participates in β ladder)trans-154.7175.7-177.500000112.3I248 K274I248-G288 PolarHBondContact N-O 3.49Å; I248-G288 PolarHBondContact O-N 3.12Å; K274-G288 CarbonylContact O-C 3.59Å; K274-G288 WeakPolarHBondContact O-CA 3.29Å
289F94.2Very high87.3Confident43 Ų4364.1 Ų64.119%0.18932%0.321CS..EExtended strand (participates in β ladder)trans-132.6137.9-179-58-85.9000109.8I246 F247 V273 K274 I276 F287 K320I246-F289 VanDerWaalsContact O-CA 3.27Å; I246-F289 WeakPolarHBondContact O-CA 3.33Å; F247-F289 HydrophobicContact CB-CD1 4.45Å; F247-F289 HydrophobicContact CB-CE1 4.38Å; F247-F289 HydrophobicContact CD2-CD1 4.01Å; F247-F289 AromaticContact CD2-CE1 3.45Å; F247-F289 HydrophobicContact CD2-CE1 3.45Å; F247-F289 VanDerWaalsContact CD2-CE1 3.45Å; F247-F289 AromaticContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CD2-CZ 3.86Å; F247-F289 HydrophobicContact CE2-CE1 4.16Å; F247-F289 HydrophobicContact CE2-CZ 4.13Å; F247-F289 HydrophobicContact CG-CE1 4.33Å; V273-F289 CarbonylContact C-O 3.55Å; V273-F289 WeakPolarHBondContact CA-O 3.34Å; K274-F289 PolarHBondContact N-O 2.8Å; K274-F289 PolarHBondContact O-N 3.15Å; I276-F289 HydrophobicContact CD1-CD2 4.35Å; I276-F289 HydrophobicContact CD1-CE2 4.14Å; I276-F289 HydrophobicContact CG1-CD2 4.24Å; I276-F289 HydrophobicContact CG1-CE2 3.81Å; F287-F289 HydrophobicContact CD2-CE2 4.06Å; F287-F289 HydrophobicContact CD2-CZ 4.27Å; F287-F289 HydrophobicContact CE2-CE2 4.1Å; F287-F289 HydrophobicContact CE2-CZ 4.32Å; F289-K320 HydrophobicContact CD1-CD 4.2Å; F289-K320 HydrophobicContact CE1-CD 4.12Å; F289-K320 HydrophobicContact CE1-CG 4.45Å
290V94.2Very high88Confident0 Ų061 Ų610%031%0.31CS..EExtended strand (participates in β ladder)trans-124132.9171.6174.60000107.5I246 I248 L260 F264 V270 N272 V273 M292I246-V290 WeakPolarHBondContact CB-O 3.44Å; I246-V290 PolarHBondContact N-O 3.3Å; I246-V290 PolarHBondContact O-N 3.24Å; I248-V290 HydrophobicContact CD1-CB 3.94Å; I248-V290 HydrophobicContact CD1-CG2 3.6Å; L260-V290 HydrophobicContact CB-CG2 4.2Å; L260-V290 HydrophobicContact CD1-CG2 4.3Å; F264-V290 HydrophobicContact CB-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 3.96Å; F264-V290 HydrophobicContact CD2-CG1 4.46Å; F264-V290 HydrophobicContact CD2-CG2 3.92Å; F264-V290 HydrophobicContact CE2-CG2 4.06Å; F264-V290 HydrophobicContact CG-CB 4.39Å; F264-V290 HydrophobicContact CG-CG1 3.91Å; F264-V290 HydrophobicContact CG-CG2 4.21Å; F264-V290 HydrophobicContact CZ-CG2 4.47Å; V270-V290 HydrophobicContact CG1-CG1 3.81Å; V270-V290 HydrophobicContact CG2-CG1 4.07Å; N272-V290 CarbonylContact O-C 3.54Å; N272-V290 WeakPolarHBondContact O-CA 3.16Å; V273-V290 HydrophobicContact CG1-CG2 4.24Å; V273-V290 HydrophobicContact CG2-CG1 4.44Å; V273-V290 HydrophobicContact CG2-CG2 4.16Å; V290-M292 HydrophobicContact CG1-CG 4.18Å
291T90.8Very high88.8Confident23 Ų2354.5 Ų54.514%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-110.7122.8175.2-51.20000108.4W244 T271 N272W244-T291 WeakPolarHBondContact O-CA 3.4Å; T271-T291 PolarHBondContact N-O 3.04Å; T271-T291 WeakPolarHBondContact OG1-CB 3.44Å; T271-T291 WeakPolarHBondContact OG1-CG2 3.49Å; T271-T291 PolarHBondContact OG1-O 3.37Å; N272-T291 PolarHBondContact N-O 3.13Å; N272-T291 PolarHBondContact O-N 3.02Å
292M90.3Very high89.4Confident0 Ų051.5 Ų51.50%026%0.255CS..EExtended strand (participates in β ladder)trans-105.7154.5177.1-60.8-168.375.100110.6G243 W244 I246 F264 F267 V270 V290 E297 A298 A301G243-M292 CarbonylContact C-O 3.5Å; G243-M292 WeakPolarHBondContact CA-O 3.37Å; W244-M292 PolarHBondContact N-O 2.8Å; W244-M292 PolarHBondContact O-N 2.89Å; I246-M292 HydrophobicContact CD1-CG 3.95Å; I246-M292 HydrophobicContact CD1-SD 3.65Å; F264-M292 HydrophobicContact CD1-SD 4.11Å; F267-M292 HydrophobicContact CB-CE 4.09Å; V270-M292 HydrophobicContact CG2-CG 4.44Å; V290-M292 HydrophobicContact CG1-CG 4.18Å; M292-E297 HydrophobicContact CE-CB 4.12Å; M292-A298 HydrophobicContact CB-CB 4.15Å; M292-A298 HydrophobicContact CG-CB 4.47Å; M292-A298 HydrophobicContact SD-CB 4.09Å; M292-A301 HydrophobicContact SD-CB 4.01Å
293T87.5Confident90Very high54 Ų5449.7 Ų49.733%0.33126%0.257SS..SBendtrans-71-41.3177.851.10000112.3A269 T271A269-T293 HydrophobicContact CB-CG2 4.09Å; A269-T293 PolarHBondContact O-N 2.94Å; A269-T293 PolarHBondContact O-OG1 2.9Å; T271-T293 HydrophobicContact CG2-CG2 3.29Å
294N88.5Confident90.5Very high77 Ų7748.6 Ų48.641%0.41226%0.261SS..  trans-109.8144.3-172.1-65-38.3000112.7E297 A298N294-E297 HydrophobicContact CB-CB 4.04Å; N294-E297 HydrophobicContact CB-CG 3.94Å; N294-E297 VanDerWaalsContact ND2-CD 3.3Å; N294-E297 PolarHBondContact ND2-OE1 3.01Å; N294-E297 PolarHBondContact ND2-OE2 2.75Å; N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 2.95Å
295Y88.4Confident90.9Very high116 Ų11648.6 Ų48.646%0.45526%0.26SS..Hα-helixtrans-70.7-47.3-179.7178.1-108.8000112.1W244 A298 A299 F319W244-Y295 AromaticContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CD2 3.63Å; W244-Y295 HydrophobicContact CD2-CG 4.24Å; W244-Y295 VanDerWaalsContact CE2-CB 3.46Å; W244-Y295 AromaticContact CE2-CD2 3.93Å; W244-Y295 AromaticContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CD2 3.43Å; W244-Y295 VanDerWaalsContact CE3-CD2 3.43Å; W244-Y295 HydrophobicContact CE3-CE2 4.11Å; W244-Y295 HydrophobicContact CE3-CG 4.39Å; W244-Y295 HydrophobicContact CG-CD2 4.34Å; W244-Y295 AromaticContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CD2 3.78Å; W244-Y295 HydrophobicContact CH2-CE2 4.45Å; W244-Y295 HydrophobicContact CH2-CG 4.22Å; W244-Y295 HydrophobicContact CZ2-CD2 4.01Å; W244-Y295 HydrophobicContact CZ2-CG 4.11Å; W244-Y295 AromaticContact CZ3-CD2 3.5Å; W244-Y295 HydrophobicContact CZ3-CD2 3.5Å; W244-Y295 VanDerWaalsContact CZ3-CD2 3.5Å; W244-Y295 AromaticContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CE2 3.97Å; W244-Y295 HydrophobicContact CZ3-CG 4.37Å; Y295-A298 WeakPolarHBondContact O-CB 3.28Å; Y295-A298 PolarHBondContact O-N 3.38Å; Y295-A298 VanDerWaalsContact O-N 3.16Å; Y295-A299 PolarHBondContact O-N 3.26Å; Y295-F319 HydrophobicContact CD2-CE1 4.15Å; Y295-F319 AromaticContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CE2-CE1 4.02Å; Y295-F319 AromaticContact CE2-CE2 3.85Å; Y295-F319 HydrophobicContact CE2-CE2 3.85Å; Y295-F319 AromaticContact CE2-CZ 3.44Å; Y295-F319 HydrophobicContact CE2-CZ 3.44Å; Y295-F319 VanDerWaalsContact CE2-CZ 3.44Å
296E89.1Confident91.2Very high154 Ų15447.5 Ų47.572%0.7226%0.26SS*.Hα-helixtrans-64-44.3-175-63.4-178.6168.400110.7A298 A299 M300E296-A298 PolarHBondContact O-N 3.37Å; E296-A299 PolarHBondContact O-N 3.39Å; E296-M300 WeakPolarHBondContact O-CG 3.19Å; E296-M300 PolarHBondContact O-N 3.35Å
297E90.5Very high91.3Very high50 Ų5049.2 Ų49.223%0.23428%0.277CS..Hα-helixtrans-58.6-44.1171.6-68.8176.5-167.700112.1F267 G268 A269 M292 N294 A299 M300 A301F267-E297 WeakPolarHBondContact O-CB 3.35Å; F267-E297 VanDerWaalsContact O-CG 3.24Å; F267-E297 WeakPolarHBondContact O-CG 3.26Å; G268-E297 WeakPolarHBondContact CA-OE2 3.4Å; A269-E297 PolarHBondContact N-OE2 2.71Å; M292-E297 HydrophobicContact CE-CB 4.12Å; N294-E297 HydrophobicContact CB-CB 4.04Å; N294-E297 HydrophobicContact CB-CG 3.94Å; N294-E297 VanDerWaalsContact ND2-CD 3.3Å; N294-E297 PolarHBondContact ND2-OE1 3.01Å; N294-E297 PolarHBondContact ND2-OE2 2.75Å; E297-A299 PolarHBondContact O-N 2.96Å; E297-M300 HydrophobicContact CG-CE 4.5Å; E297-M300 PolarHBondContact O-N 3.15Å; E297-A301 WeakPolarHBondContact O-CB 3.22Å; E297-A301 PolarHBondContact O-N 3.19Å
298A91.1Very high91.3Very high0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-63.5-40.2176.300000112.6W244 I246 M292 N294 Y295 E296 A301 I302 F319W244-A298 HydrophobicContact CB-CB 4Å; I246-A298 HydrophobicContact CD1-CB 3.85Å; I246-A298 HydrophobicContact CG1-CB 4.29Å; M292-A298 HydrophobicContact CB-CB 4.15Å; M292-A298 HydrophobicContact CG-CB 4.47Å; M292-A298 HydrophobicContact SD-CB 4.09Å; N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 2.95Å; Y295-A298 WeakPolarHBondContact O-CB 3.28Å; Y295-A298 PolarHBondContact O-N 3.38Å; Y295-A298 VanDerWaalsContact O-N 3.16Å; E296-A298 PolarHBondContact O-N 3.37Å; A298-A301 PolarHBondContact O-N 3.48Å; A298-I302 WeakPolarHBondContact O-CD1 3.15Å; A298-I302 VanDerWaalsContact O-CG1 3.28Å; A298-I302 WeakPolarHBondContact O-CG1 3.18Å; A298-I302 PolarHBondContact O-N 2.91Å; A298-F319 HydrophobicContact CB-CE1 3.85Å; A298-F319 HydrophobicContact CB-CZ 4.18Å
299A91Very high91.3Very high32 Ų3259.9 Ų59.926%0.26432%0.316SS..Hα-helixtrans-66.2-41.3177.200000111.7Y295 E296 E297 I302 A303 F319Y295-A299 PolarHBondContact O-N 3.26Å; E296-A299 PolarHBondContact O-N 3.39Å; E297-A299 PolarHBondContact O-N 2.96Å; A299-I302 PolarHBondContact O-N 3.44Å; A299-A303 WeakPolarHBondContact O-CB 3.39Å; A299-A303 PolarHBondContact O-N 3.11Å; A299-F319 HydrophobicContact CB-CE2 4.38Å; A299-F319 HydrophobicContact CB-CZ 4.15Å
300M91.7Very high90.9Very high108 Ų10859.7 Ų59.753%0.53232%0.317SS..Hα-helixtrans-64.4-41.7174.3-71.9-169.3-68.700112.3F267 E296 E297 A303 S304F267-M300 HydrophobicContact CD1-CB 4.46Å; E296-M300 WeakPolarHBondContact O-CG 3.19Å; E296-M300 PolarHBondContact O-N 3.35Å; E297-M300 HydrophobicContact CG-CE 4.5Å; E297-M300 PolarHBondContact O-N 3.15Å; M300-A303 PolarHBondContact O-N 3.28Å; M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.7Å; M300-S304 PolarHBondContact O-OG 3.44Å
301A93.4Very high90.4Very high0 Ų062.4 Ų62.40%035%0.345CS..Hα-helixtrans-60.9-44.817500000111.3I246 F264 F267 M292 E297 A298 S304 L305I246-A301 HydrophobicContact CD1-CB 4.48Å; F264-A301 HydrophobicContact CD1-CB 3.82Å; F264-A301 HydrophobicContact CE1-CB 3.93Å; F267-A301 HydrophobicContact CB-CB 3.72Å; F267-A301 HydrophobicContact CD1-CB 4.21Å; F267-A301 HydrophobicContact CD2-CB 3.94Å; F267-A301 HydrophobicContact CG-CB 3.68Å; M292-A301 HydrophobicContact SD-CB 4.01Å; E297-A301 WeakPolarHBondContact O-CB 3.22Å; E297-A301 PolarHBondContact O-N 3.19Å; A298-A301 PolarHBondContact O-N 3.48Å; A301-S304 PolarHBondContact O-N 3.37Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CG 3.49Å; A301-L305 PolarHBondContact O-N 2.82Å
302I94.1Very high90.2Very high22 Ų2268.3 Ų68.311%0.11338%0.376CS..Hα-helixtrans-60.7-49.5175.4-72160.4000110.8I246 A298 A299 S304 L305 N306 V317 F319I246-I302 HydrophobicContact CD1-CD1 4.48Å; I246-I302 HydrophobicContact CD1-CG1 4.29Å; I246-I302 HydrophobicContact CG1-CD1 4.21Å; I246-I302 HydrophobicContact CG1-CG1 4.38Å; I246-I302 HydrophobicContact CG2-CD1 4.29Å; I246-I302 HydrophobicContact CG2-CG1 3.86Å; A298-I302 WeakPolarHBondContact O-CD1 3.15Å; A298-I302 VanDerWaalsContact O-CG1 3.28Å; A298-I302 WeakPolarHBondContact O-CG1 3.18Å; A298-I302 PolarHBondContact O-N 2.91Å; A299-I302 PolarHBondContact O-N 3.44Å; I302-S304 PolarHBondContact O-N 3.16Å; I302-L305 PolarHBondContact O-N 3.47Å; I302-N306 WeakPolarHBondContact O-CB 3.36Å; I302-N306 PolarHBondContact O-N 2.8Å; I302-V317 HydrophobicContact CB-CG1 4.43Å; I302-V317 HydrophobicContact CG1-CG1 3.92Å; I302-V317 WeakPolarHBondContact CG2-O 3.44Å; I302-F319 HydrophobicContact CD1-CB 4.45Å; I302-F319 HydrophobicContact CD1-CD1 3.67Å; I302-F319 HydrophobicContact CD1-CD2 3.47Å; I302-F319 VanDerWaalsContact CD1-CD2 3.47Å; I302-F319 HydrophobicContact CD1-CE1 3.63Å; I302-F319 HydrophobicContact CD1-CE2 3.43Å; I302-F319 VanDerWaalsContact CD1-CE2 3.43Å; I302-F319 HydrophobicContact CD1-CG 3.6Å; I302-F319 HydrophobicContact CD1-CZ 3.52Å
303A92.1Very high90.1Very high81 Ų8172.8 Ų72.867%0.66940%0.395SS*.Hα-helixtrans-60.6-34-17900000112.6A299 M300A299-A303 WeakPolarHBondContact O-CB 3.39Å; A299-A303 PolarHBondContact O-N 3.11Å; M300-A303 PolarHBondContact O-N 3.28Å
304S91.5Very high90.3Very high68 Ų6874.8 Ų74.848%0.47640%0.403SS..Hα-helixtrans-86.8-33.2-177.1-53.90000113.5F267 M300 A301 I302F267-S304 WeakPolarHBondContact CE1-OG 3.42Å; F267-S304 VanDerWaalsContact CZ-CB 3.46Å; M300-S304 WeakPolarHBondContact O-CB 3.37Å; M300-S304 PolarHBondContact O-N 2.7Å; M300-S304 PolarHBondContact O-OG 3.44Å; A301-S304 PolarHBondContact O-N 3.37Å; I302-S304 PolarHBondContact O-N 3.16Å
305L93.3Very high90.5Very high11 Ų1171.2 Ų71.26%0.05838%0.384CS..Hα-helixtrans-100.5-16.1-173.9-62.5173.7000113.4M263 F264 F267 A301 I302 G307 Y308 V317M263-L305 HydrophobicContact CB-CD1 4.3Å; M263-L305 HydrophobicContact CB-CD2 4.43Å; F264-L305 HydrophobicContact CD1-CD1 3.95Å; F264-L305 HydrophobicContact CD2-CD1 3.81Å; F264-L305 HydrophobicContact CE1-CD1 3.73Å; F264-L305 HydrophobicContact CE2-CD1 3.61Å; F264-L305 HydrophobicContact CG-CD1 3.99Å; F264-L305 HydrophobicContact CZ-CD1 3.57Å; F267-L305 HydrophobicContact CD2-CD1 4.24Å; F267-L305 HydrophobicContact CE2-CD1 3.84Å; F267-L305 HydrophobicContact CE2-CD2 4.14Å; F267-L305 HydrophobicContact CE2-CG 3.91Å; F267-L305 HydrophobicContact CZ-CG 4.3Å; A301-L305 VanDerWaalsContact O-CB 3.22Å; A301-L305 WeakPolarHBondContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CG 3.49Å; A301-L305 PolarHBondContact O-N 2.82Å; I302-L305 PolarHBondContact O-N 3.47Å; L305-G307 PolarHBondContact O-N 3.35Å; L305-Y308 HydrophobicContact CD2-CG 4.43Å; L305-Y308 WeakPolarHBondContact O-CB 3.43Å; L305-Y308 PolarHBondContact O-N 3.34Å; L305-V317 HydrophobicContact CB-CG2 3.96Å; L305-V317 WeakPolarHBondContact O-CG2 3.45Å
306N92.2Very high90.7Very high90 Ų9071 Ų7148%0.48139%0.387SS..THydrogen-bonded Turntrans-69.4119.1172.7-171.537.1000110I302 Q316 V317I302-N306 WeakPolarHBondContact O-CB 3.36Å; I302-N306 PolarHBondContact O-N 2.8Å; N306-Q316 WeakPolarHBondContact OD1-CA 3.36Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3Å; N306-V317 PolarHBondContact OD1-O 2.77Å
307G90.1Very high91Very high48 Ų4863.7 Ų63.750%0.49535%0.353SS..THydrogen-bonded Turntrans89.12.4-171.600000114.3L305 L315L305-G307 PolarHBondContact O-N 3.35Å; G307-L315 WeakPolarHBondContact CA-O 3.44Å; G307-L315 PolarHBondContact N-O 3.48Å
308Y91.6Very high91.1Very high113 Ų11363.9 Ų63.944%0.44336%0.36SS..  trans-67.3136.1178.2-175-98.5000111.6M263 L305 L310 I314 L315M263-Y308 HydrophobicContact SD-CD1 4.07Å; M263-Y308 HydrophobicContact SD-CE1 4.01Å; L305-Y308 HydrophobicContact CD2-CG 4.43Å; L305-Y308 WeakPolarHBondContact O-CB 3.43Å; L305-Y308 PolarHBondContact O-N 3.34Å; Y308-L310 HydrophobicContact CD1-CB 4.44Å; Y308-L310 HydrophobicContact CE1-CD1 4.39Å; Y308-I314 WeakPolarHBondContact O-CA 3.38Å; Y308-L315 HydrophobicContact CD1-CD1 4.2Å; Y308-L315 WeakPolarHBondContact O-CG 3.44Å; Y308-L315 PolarHBondContact O-N 2.97Å
309R91.3Very high91.2Very high167 Ų16766.9 Ų66.963%0.6337%0.373SS*.EExtended strand (participates in β ladder)trans-89.6110.3179.6-172.4175.3179.1177.32.9110.6G311 D312 K313R309-G311 VanDerWaalsContact CG-O 3.29Å; R309-G311 WeakPolarHBondContact CG-O 3.44Å; R309-G311 PolarHBondContact NE-O 3.48Å; R309-G311 VanDerWaalsContact NE-O 3.09Å; R309-D312 IonicContact NH2-OD1 2.85Å; R309-K313 CarbonylContact C-O 3.58Å; R309-K313 WeakPolarHBondContact CA-O 3.3Å
310L85.7Confident91Very high40 Ų4070.3 Ų70.321%0.20938%0.382CS..EExtended strand (participates in β ladder)trans-10996.9174.3-170.968.5000109L251 I259 M263 Y308 D312 K313 L315L251-L310 HydrophobicContact CD2-CD2 4.48Å; I259-L310 HydrophobicContact CD1-CD1 4.38Å; I259-L310 HydrophobicContact CG1-CD1 4.12Å; I259-L310 HydrophobicContact CG1-CD2 4.3Å; M263-L310 HydrophobicContact CE-CD1 4.48Å; M263-L310 HydrophobicContact CE-CD2 3.88Å; M263-L310 HydrophobicContact SD-CD1 4.31Å; Y308-L310 HydrophobicContact CD1-CB 4.44Å; Y308-L310 HydrophobicContact CE1-CD1 4.39Å; L310-D312 PolarHBondContact O-N 3.46Å; L310-K313 PolarHBondContact N-O 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-L315 HydrophobicContact CB-CD1 4.13Å; L310-L315 HydrophobicContact CB-CD2 4.07Å; L310-L315 HydrophobicContact CB-CG 4.05Å; L310-L315 HydrophobicContact CD2-CD1 4.27Å; L310-L315 HydrophobicContact CD2-CD2 4.26Å
311G84.1Confident90.4Very high57 Ų5770.6 Ų70.659%0.58839%0.39SS*.THydrogen-bonded Turntrans65-124.5-170.600000111.8R309 K313R309-G311 VanDerWaalsContact CG-O 3.29Å; R309-G311 WeakPolarHBondContact CG-O 3.44Å; R309-G311 PolarHBondContact NE-O 3.48Å; R309-G311 VanDerWaalsContact NE-O 3.09Å; G311-K313 VanDerWaalsContact C-N 3.33Å
312D86.3Confident88.5Confident147 Ų14776.9 Ų76.979%0.78642%0.424SS*.THydrogen-bonded Turntrans-90.46.1176.3-65.3-59.7000113.9R309 L310R309-D312 IonicContact NH2-OD1 2.85Å; L310-D312 PolarHBondContact O-N 3.46Å
313K88.3Confident86.2Confident94 Ų9484.6 Ų84.641%0.40946%0.456SS..EExtended strand (participates in β ladder)trans-111.6145.9-179.7-59.7-61-170.91760111.3N250 R309 L310 G311N250-K313 VanDerWaalsContact O-CB 3.29Å; N250-K313 WeakPolarHBondContact O-CB 3.12Å; R309-K313 CarbonylContact C-O 3.58Å; R309-K313 WeakPolarHBondContact CA-O 3.3Å; L310-K313 PolarHBondContact N-O 2.94Å; L310-K313 PolarHBondContact O-N 2.99Å; G311-K313 VanDerWaalsContact C-N 3.33Å
314I91.8Very high83.8Confident96 Ų9686 Ų8649%0.49246%0.461SS..EExtended strand (participates in β ladder)trans-106.7115.7173.7-62.1174.8000107.1N250 Y308N250-I314 WeakPolarHBondContact CB-O 3.45Å; N250-I314 PolarHBondContact ND2-N 2.81Å; N250-I314 PolarHBondContact ND2-O 2.92Å; Y308-I314 WeakPolarHBondContact O-CA 3.38Å
315L93.4Very high81.2Confident2 Ų291.3 Ų91.31%0.0148%0.478CS..  trans-69.3140.6-176.6-57.8-173.2000110.6L251 M263 G307 Y308 L310 V317L251-L315 HydrophobicContact CD2-CD2 3.72Å; M263-L315 HydrophobicContact CE-CD1 3.84Å; M263-L315 HydrophobicContact SD-CD1 4.04Å; G307-L315 WeakPolarHBondContact CA-O 3.44Å; G307-L315 PolarHBondContact N-O 3.48Å; Y308-L315 HydrophobicContact CD1-CD1 4.2Å; Y308-L315 WeakPolarHBondContact O-CG 3.44Å; Y308-L315 PolarHBondContact O-N 2.97Å; L310-L315 HydrophobicContact CB-CD1 4.13Å; L310-L315 HydrophobicContact CB-CD2 4.07Å; L310-L315 HydrophobicContact CB-CG 4.05Å; L310-L315 HydrophobicContact CD2-CD1 4.27Å; L310-L315 HydrophobicContact CD2-CD2 4.26Å; L315-V317 HydrophobicContact CB-CG2 4.21Å
316Q93.1Very high78.2Confident110 Ų110103.9 Ų103.951%0.51453%0.532SS..EExtended strand (participates in β ladder)trans-110.1118.5168.1-69.6-179.8-6.800107.8I248 Y249 N306I248-Q316 CarbonylContact C-O 3.58Å; I248-Q316 WeakPolarHBondContact CA-O 3.28Å; Y249-Q316 PolarHBondContact N-O 3.37Å; Y249-Q316 PolarHBondContact O-N 3.13Å; N306-Q316 WeakPolarHBondContact OD1-CA 3.36Å
317V94.8Very high77.5Confident2 Ų2104.6 Ų104.61%0.01254%0.535CS..EExtended strand (participates in β ladder)trans-122.4126.2-174-170.70000108.3I246 F247 I248 F264 I302 L305 N306 L315I246-V317 HydrophobicContact CG2-CG1 3.41Å; I246-V317 VanDerWaalsContact CG2-CG1 3.41Å; F247-V317 WeakPolarHBondContact O-CA 3.37Å; I248-V317 HydrophobicContact CG1-CG1 4.31Å; I248-V317 HydrophobicContact CG1-CG2 4.44Å; I248-V317 HydrophobicContact CG2-CG2 4.31Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 3.85Å; I302-V317 HydrophobicContact CB-CG1 4.43Å; I302-V317 HydrophobicContact CG1-CG1 3.92Å; I302-V317 WeakPolarHBondContact CG2-O 3.44Å; L305-V317 HydrophobicContact CB-CG2 3.96Å; L305-V317 WeakPolarHBondContact O-CG2 3.45Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3Å; N306-V317 PolarHBondContact OD1-O 2.77Å; L315-V317 HydrophobicContact CB-CG2 4.21Å
318S92.2Very high76.8Confident53 Ų53107.6 Ų107.637%0.37154%0.537SS..EExtended strand (participates in β ladder)trans-153162.7-178.862.30000111.7I246 F247 K320I246-S318 CarbonylContact C-O 3.47Å; I246-S318 WeakPolarHBondContact CA-O 2.92Å; I246-S318 WeakPolarHBondContact CG2-O 3.44Å; F247-S318 PolarHBondContact N-O 3.11Å; F247-S318 PolarHBondContact O-N 3.13Å; S318-K320 PolarHBondContact O-N 2.84Å
319F92.9Very high76Confident64 Ų64107.3 Ų107.328%0.28154%0.542SS..EExtended strand (participates in β ladder)trans-63.3139169.3-75.3-68.8000110.2W244 Y295 A298 A299 I302 T321W244-F319 HydrophobicContact CB-CE1 4.34Å; Y295-F319 HydrophobicContact CD2-CE1 4.15Å; Y295-F319 AromaticContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CD2-CZ 3.85Å; Y295-F319 HydrophobicContact CE2-CE1 4.02Å; Y295-F319 AromaticContact CE2-CE2 3.85Å; Y295-F319 HydrophobicContact CE2-CE2 3.85Å; Y295-F319 AromaticContact CE2-CZ 3.44Å; Y295-F319 HydrophobicContact CE2-CZ 3.44Å; Y295-F319 VanDerWaalsContact CE2-CZ 3.44Å; A298-F319 HydrophobicContact CB-CE1 3.85Å; A298-F319 HydrophobicContact CB-CZ 4.18Å; A299-F319 HydrophobicContact CB-CE2 4.38Å; A299-F319 HydrophobicContact CB-CZ 4.15Å; I302-F319 HydrophobicContact CD1-CB 4.45Å; I302-F319 HydrophobicContact CD1-CD1 3.67Å; I302-F319 HydrophobicContact CD1-CD2 3.47Å; I302-F319 VanDerWaalsContact CD1-CD2 3.47Å; I302-F319 HydrophobicContact CD1-CE1 3.63Å; I302-F319 HydrophobicContact CD1-CE2 3.43Å; I302-F319 VanDerWaalsContact CD1-CE2 3.43Å; I302-F319 HydrophobicContact CD1-CG 3.6Å; I302-F319 HydrophobicContact CD1-CZ 3.52Å; F319-T321 PolarHBondContact O-N 3.21Å
320K86.4Confident75.1Confident104 Ų104103.8 Ų103.845%0.45254%0.537SS..  trans-64.1111.2175.5-179.4-178.8173.1-175.90109.5C245 F289 S318C245-K320 HydrophobicContact CB-CB 4.04Å; C245-K320 HydrophobicContact CB-CD 4.08Å; C245-K320 VanDerWaalsContact O-CB 3.31Å; C245-K320 WeakPolarHBondContact O-CB 3.21Å; C245-K320 PolarHBondContact O-N 2.98Å; C245-K320 VanDerWaalsContact SG-CD 3.51Å; F289-K320 HydrophobicContact CD1-CD 4.2Å; F289-K320 HydrophobicContact CE1-CD 4.12Å; F289-K320 HydrophobicContact CE1-CG 4.45Å; S318-K320 PolarHBondContact O-N 2.84Å
321T79.3Confident74.4Confident113 Ų113107.8 Ų107.869%0.69356%0.557SS**  trans-78.2125.317259.50000109.8F319 K323F319-T321 PolarHBondContact O-N 3.21Å; T321-K323 PolarHBondContact O-N 2.98Å
322N54.8Low73.8Confident133 Ų133111.1 Ų111.171%0.71156%0.555SS**  trans-71.5112.7164.2-76.1-26.9000107.8S324N322-S324 VanDerWaalsContact C-N 3.34Å; N322-S324 PolarHBondContact O-N 3.4Å
323K45.5Very low72.9Confident183 Ų183108.6 Ų108.680%0.79654%0.539SS*.  trans-68.495.9170.3-76-172.9177.2-179.30108.3T321 H325T321-K323 PolarHBondContact O-N 2.98Å; K323-H325 PolarHBondContact O-N 2.97Å
324S40.9Very low71.7Confident110 Ų110109.7 Ų109.777%0.76955%0.549SS*.  trans-67106.6159.9-58.20000106.8N322 K326N322-S324 VanDerWaalsContact C-N 3.34Å; N322-S324 PolarHBondContact O-N 3.4Å; S324-K326 PolarHBondContact O-N 3.23Å; S324-K326 VanDerWaalsContact O-N 3.16Å
325H37.7Very low70.1Confident181 Ų181110.8 Ų110.884%0.83855%0.554SS**  trans-60.3117.9168.6-95.8-94.3000107.6K323K323-H325 PolarHBondContact O-N 2.97Å
326K29.8Very low67.9Low275 Ų275120.7 Ų120.7100%1.19660%0.603SS**  trans-85.60172.2-162.9-177.6-176.1-172.80109.4S324S324-K326 PolarHBondContact O-N 3.23Å; S324-K326 VanDerWaalsContact O-N 3.16Å

Retrieved 326 of 326 residues in 160 ms (Link to these results)