A0A087XDA7_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 7

AlphaFold DB , UniProt , Accession A0A087XDA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 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
1M61.1Low81.1Confident213 Ų213125.5 Ų125.5100%1.04963%0.63SS**  0-31.30-89.6173-116.500111.8W3 C4 F5M1-W3 PolarHBondContact O-N 3.49Å; M1-C4 PolarHBondContact O-N 3.46Å; M1-F5 PolarHBondContact O-N 3.34Å
2D68.3Low82Confident133 Ų133125.6 Ų125.671%0.71162%0.624SS**Hα-helixtrans-65.1-31.1-175.9-48.7-55.9000115.2F5 S6D2-F5 PolarHBondContact O-N 2.95Å; D2-S6 WeakPolarHBondContact O-CB 3.26Å; D2-S6 PolarHBondContact O-N 2.95Å
3W68.7Low82.7Confident234 Ų234120.8 Ų120.889%0.88660%0.601SS**Hα-helixtrans-67.5-36.4178.1-81.471.6000113.5M1 S7M1-W3 PolarHBondContact O-N 3.49Å; W3-S7 WeakPolarHBondContact O-CB 3.4Å; W3-S7 PolarHBondContact O-N 3.48Å
4C76.1Confident83.4Confident85 Ų85120.9 Ų120.957%0.57460%0.604SS**Hα-helixtrans-72-40.6178.6-167.20000110.7M1 S7 L8M1-C4 PolarHBondContact O-N 3.46Å; C4-S7 PolarHBondContact O-N 2.99Å; C4-L8 WeakPolarHBondContact O-CB 3.35Å; C4-L8 WeakPolarHBondContact O-CD1 3.34Å; C4-L8 WeakPolarHBondContact O-CG 3.37Å; C4-L8 PolarHBondContact O-N 3.34Å
5F77.5Confident83.9Confident152 Ų152119.5 Ų119.567%0.66760%0.599SS**Hα-helixtrans-65.7-43.5176-167.8-97.4000112.1M1 D2 L8 L9M1-F5 PolarHBondContact O-N 3.34Å; D2-F5 PolarHBondContact O-N 2.95Å; F5-L8 PolarHBondContact O-N 3.26Å; F5-L9 WeakPolarHBondContact O-CB 3.5Å; F5-L9 PolarHBondContact O-N 3.45Å
6S85.1Confident84Confident52 Ų52115.8 Ų115.836%0.36459%0.587SS.*Hα-helixtrans-60.9-45.4173.9179.10000111.8D2 L8 L9 W10D2-S6 WeakPolarHBondContact O-CB 3.26Å; D2-S6 PolarHBondContact O-N 2.95Å; S6-L8 PolarHBondContact O-N 3.28Å; S6-L9 PolarHBondContact O-N 3.4Å; S6-W10 PolarHBondContact O-N 2.98Å
7S88.3Confident84.2Confident70 Ų70115.1 Ų115.149%0.4958%0.584SS.*Hα-helixtrans-63.8-40.3177.9-178.10000112.7W3 C4 S11W3-S7 WeakPolarHBondContact O-CB 3.4Å; W3-S7 PolarHBondContact O-N 3.48Å; C4-S7 PolarHBondContact O-N 2.99Å; S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 3.1Å; S7-S11 PolarHBondContact O-OG 3.31Å
8L90.5Very high84.5Confident115 Ų115114.6 Ų114.660%0.60258%0.582SS**Hα-helixtrans-65.4-40.6176.2-77.8163.1000111.5C4 F5 S6 S11 F12C4-L8 WeakPolarHBondContact O-CB 3.35Å; C4-L8 WeakPolarHBondContact O-CD1 3.34Å; C4-L8 WeakPolarHBondContact O-CG 3.37Å; C4-L8 PolarHBondContact O-N 3.34Å; F5-L8 PolarHBondContact O-N 3.26Å; S6-L8 PolarHBondContact O-N 3.28Å; L8-S11 PolarHBondContact O-N 2.97Å; L8-F12 WeakPolarHBondContact O-CB 3.36Å; L8-F12 PolarHBondContact O-N 2.91Å
9L91.6Very high84.5Confident87 Ų87112.6 Ų112.646%0.45558%0.576SS.*Hα-helixtrans-63-46.2176.4-177.663.5000111.8F5 S6 F12 I13F5-L9 WeakPolarHBondContact O-CB 3.5Å; F5-L9 PolarHBondContact O-N 3.45Å; S6-L9 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 3.44Å; L9-I13 HydrophobicContact CD1-CD1 4.35Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.39Å
10W92.7Very high84.3Confident168 Ų168111.1 Ų111.164%0.63657%0.566SS**Hα-helixtrans-63.8-42.4176.7-78113.9000112.7S6 F12 I13 L14S6-W10 PolarHBondContact O-N 2.98Å; W10-F12 VanDerWaalsContact C-N 3.31Å; W10-F12 PolarHBondContact O-N 3.47Å; W10-I13 HydrophobicContact CE3-CD1 4.34Å; W10-I13 PolarHBondContact O-N 2.95Å; W10-L14 WeakPolarHBondContact O-CB 3.34Å; W10-L14 PolarHBondContact O-N 3.25Å
11S91.9Very high84.3Confident71 Ų71109.5 Ų109.550%0.49756%0.562SS.*Hα-helixtrans-61.9-39.9174.7-66.10000112S7 L8 L14 L15S7-S11 WeakPolarHBondContact O-CB 3.35Å; S7-S11 PolarHBondContact O-N 3.1Å; S7-S11 PolarHBondContact O-OG 3.31Å; L8-S11 PolarHBondContact O-N 2.97Å; S11-L14 PolarHBondContact O-N 3.22Å; S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 PolarHBondContact O-N 2.71Å
12F91.9Very high85.3Confident127 Ų127102.6 Ų102.656%0.55753%0.531SS*.Hα-helixtrans-65.1-45.6175.4-178.6-104.2000111.9L8 L9 W10 L14 L15 C16L8-F12 WeakPolarHBondContact O-CB 3.36Å; L8-F12 PolarHBondContact O-N 2.91Å; L9-F12 PolarHBondContact O-N 3.44Å; W10-F12 VanDerWaalsContact C-N 3.31Å; W10-F12 PolarHBondContact O-N 3.47Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.93Å; F12-L15 PolarHBondContact O-N 3.27Å; F12-C16 PolarHBondContact O-N 3.37Å; F12-C16 PolarHBondContact O-SG 2.92Å; F12-C16 VanDerWaalsContact O-SG 3.34Å
13I91.8Very high86Confident64 Ų6498.8 Ų98.833%0.32852%0.515SS..Hα-helixtrans-59-46.4175.6-69.3165.6000110.7L9 W10 L15 C16 L17L9-I13 HydrophobicContact CD1-CD1 4.35Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.39Å; W10-I13 HydrophobicContact CE3-CD1 4.34Å; W10-I13 PolarHBondContact O-N 2.95Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 3.03Å; I13-C16 PolarHBondContact O-N 2.98Å; I13-L17 HydrophobicContact CG2-CD1 4.03Å; I13-L17 HydrophobicContact CG2-CG 4.45Å; I13-L17 WeakPolarHBondContact O-CG 3.3Å; I13-L17 PolarHBondContact O-N 3.12Å
14L91.8Very high86.7Confident122 Ų12289.5 Ų89.564%0.63948%0.481SS*.Hα-helixtrans-62.7-41.1179.1-173.268.4000111.7W10 S11 F12 L17 L18W10-L14 WeakPolarHBondContact O-CB 3.34Å; W10-L14 PolarHBondContact O-N 3.25Å; S11-L14 PolarHBondContact O-N 3.22Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.93Å; L14-L17 PolarHBondContact O-N 2.93Å; L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 PolarHBondContact O-N 3.1Å
15L90.8Very high87.1Confident100 Ų10090 Ų9052%0.52448%0.477SS..Hα-helixtrans-62.9-45.4175-179.863000111.3S11 F12 I13 L17 L18 V19S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 PolarHBondContact O-N 2.71Å; F12-L15 PolarHBondContact O-N 3.27Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 3.03Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.99Å; L15-L18 PolarHBondContact O-N 3.46Å; L15-V19 HydrophobicContact CD1-CG2 4.33Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.32Å
16C86.3Confident87.5Confident60 Ų6090.9 Ų90.941%0.40548%0.481SS..Hα-helixtrans-59.9-43.3175.7-71.60000111.8F12 I13 V19 H20F12-C16 PolarHBondContact O-N 3.37Å; F12-C16 PolarHBondContact O-SG 2.92Å; F12-C16 VanDerWaalsContact O-SG 3.34Å; I13-C16 PolarHBondContact O-N 2.98Å; C16-V19 PolarHBondContact O-N 3.36Å; C16-H20 WeakPolarHBondContact O-CB 3.36Å; C16-H20 PolarHBondContact O-N 3.12Å
17L87.1Confident87.6Confident103 Ų10388.7 Ų88.754%0.53947%0.466SS..Hα-helixtrans-63.4-42175.4-72.2172.1000111.8I13 L14 L15 H20 V21I13-L17 HydrophobicContact CG2-CD1 4.03Å; I13-L17 HydrophobicContact CG2-CG 4.45Å; I13-L17 WeakPolarHBondContact O-CG 3.3Å; I13-L17 PolarHBondContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 2.93Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.99Å; L17-H20 WeakPolarHBondContact O-CB 3.3Å; L17-H20 PolarHBondContact O-N 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.01Å
18L88.9Confident87.9Confident106 Ų10686.7 Ų86.756%0.55545%0.45SS*.Hα-helixtrans-63.8-48.5177.6-177.667.8000111.4L14 L15 H20 V21 V22L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.46Å; L18-H20 PolarHBondContact O-N 3.29Å; L18-V21 PolarHBondContact O-N 2.91Å; L18-V22 WeakPolarHBondContact O-CG2 3.47Å; L18-V22 PolarHBondContact O-N 3.34Å
19V84.4Confident88.2Confident77 Ų7781.2 Ų81.247%0.46742%0.421SS..Hα-helixtrans-57.3-42.7175170.80000109.9L15 C16 V21 V22 C23L15-V19 HydrophobicContact CD1-CG2 4.33Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.32Å; C16-V19 PolarHBondContact O-N 3.36Å; V19-V21 PolarHBondContact O-N 3.34Å; V19-V22 PolarHBondContact O-N 3.3Å; V19-C23 WeakPolarHBondContact O-CB 3.44Å; V19-C23 PolarHBondContact O-N 3.46Å; V19-C23 PolarHBondContact O-SG 2.88Å
20H80.8Confident88.3Confident82 Ų8277.5 Ų77.538%0.3840%0.402SS..Hα-helixtrans-60.3-47177.7-16963.7000112.8C16 L17 L18 C23 F24 V31C16-H20 WeakPolarHBondContact O-CB 3.36Å; C16-H20 PolarHBondContact O-N 3.12Å; L17-H20 WeakPolarHBondContact O-CB 3.3Å; L17-H20 PolarHBondContact O-N 3.24Å; L18-H20 PolarHBondContact O-N 3.29Å; H20-C23 PolarHBondContact O-N 2.96Å; H20-F24 WeakPolarHBondContact O-CB 3.26Å; H20-F24 PolarHBondContact O-N 3.47Å; H20-V31 WeakPolarHBondContact CE1-CG1 3.46Å; H20-V31 WeakPolarHBondContact CE1-CG2 3.46Å; H20-V31 VanDerWaalsContact NE2-CG2 3.32Å; H20-V31 WeakPolarHBondContact NE2-CG2 3.43Å
21V84.1Confident88.2Confident78 Ų7871.2 Ų71.247%0.47338%0.382SS..Hα-helixtrans-61.8-44.1176.1169.60000110.9L17 L18 V19 F24 I25L17-V21 WeakPolarHBondContact O-CG2 3.43Å; L17-V21 PolarHBondContact O-N 3.01Å; L18-V21 PolarHBondContact O-N 2.91Å; V19-V21 PolarHBondContact O-N 3.34Å; V21-F24 PolarHBondContact O-N 2.91Å; V21-I25 HydrophobicContact CG1-CD1 3.82Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.39Å; V21-I25 PolarHBondContact O-N 3.02Å
22V83.6Confident88.3Confident68 Ų6872 Ų7241%0.41238%0.383SS..Hα-helixtrans-62.4-48.7177.4172.40000111L18 V19 F24 I25 F26L18-V22 WeakPolarHBondContact O-CG2 3.47Å; L18-V22 PolarHBondContact O-N 3.34Å; V19-V22 PolarHBondContact O-N 3.3Å; V22-F24 PolarHBondContact O-N 2.94Å; V22-I25 PolarHBondContact O-N 2.89Å; V22-F26 HydrophobicContact CG1-CD2 4.11Å; V22-F26 HydrophobicContact CG1-CE2 4.13Å; V22-F26 VanDerWaalsContact O-CD2 3.26Å; V22-F26 WeakPolarHBondContact O-CD2 3.41Å; V22-F26 PolarHBondContact O-N 2.89Å
23C82.4Confident88.5Confident54 Ų5465.9 Ų65.937%0.36536%0.357SS..Hα-helixtrans-58.1-38.7175.4-71.10000111.8V19 H20 F26 G27 Q34V19-C23 WeakPolarHBondContact O-CB 3.44Å; V19-C23 PolarHBondContact O-N 3.46Å; V19-C23 PolarHBondContact O-SG 2.88Å; H20-C23 PolarHBondContact O-N 2.96Å; C23-F26 CarbonylContact O-C 3.49Å; C23-F26 PolarHBondContact O-N 3.27Å; C23-G27 VanDerWaalsContact O-CA 3.3Å; C23-G27 WeakPolarHBondContact O-CA 3.47Å; C23-G27 PolarHBondContact O-N 3.45Å; C23-Q34 PolarHBondContact O-OE1 2.71Å
24F83.3Confident88.6Confident39 Ų3964.5 Ų64.517%0.17135%0.349CS..Hα-helixtrans-67.8-39.8177.4-175.9-102.1000113H20 V21 V22 F26 G27 Q288 L291 M292 Y295H20-F24 WeakPolarHBondContact O-CB 3.26Å; H20-F24 PolarHBondContact O-N 3.47Å; V21-F24 PolarHBondContact O-N 2.91Å; V22-F24 PolarHBondContact O-N 2.94Å; F24-F26 VanDerWaalsContact C-N 3.27Å; F24-F26 PolarHBondContact O-N 3.22Å; F24-G27 PolarHBondContact O-N 3.26Å; F24-G27 VanDerWaalsContact O-N 3.13Å; F24-Q288 VanDerWaalsContact CE1-NE2 3.28Å; F24-Q288 PolarHBondContact O-NE2 3.15Å; F24-L291 HydrophobicContact CD2-CD2 4.35Å; F24-L291 HydrophobicContact CE2-CD2 3.71Å; F24-L291 HydrophobicContact CE2-CG 3.96Å; F24-L291 HydrophobicContact CZ-CD2 4.27Å; F24-L291 HydrophobicContact CZ-CG 4.15Å; F24-M292 HydrophobicContact CE1-CB 4.1Å; F24-M292 HydrophobicContact CE1-CG 4.41Å; F24-M292 HydrophobicContact CZ-CB 4.36Å; F24-Y295 AromaticContact CE2-CD2 3.72Å; F24-Y295 HydrophobicContact CE2-CD2 3.72Å; F24-Y295 AromaticContact CE2-CE2 3.47Å; F24-Y295 HydrophobicContact CE2-CE2 3.47Å; F24-Y295 VanDerWaalsContact CE2-CE2 3.47Å; F24-Y295 AromaticContact CZ-CD2 3.57Å; F24-Y295 HydrophobicContact CZ-CD2 3.57Å; F24-Y295 AromaticContact CZ-CE2 3.86Å; F24-Y295 HydrophobicContact CZ-CE2 3.86Å; F24-Y295 HydrophobicContact CZ-CG 4.33Å
25I84.6Confident88.6Confident94 Ų9463 Ų6348%0.48234%0.341SS..Hα-helixtrans-61.2-36.3178.1-72.3164.5000111.7V21 V22 Q288V21-I25 HydrophobicContact CG1-CD1 3.82Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.39Å; V21-I25 PolarHBondContact O-N 3.02Å; V22-I25 PolarHBondContact O-N 2.89Å; I25-Q288 WeakPolarHBondContact O-CG 3.19Å
26F85.2Confident88.9Confident172 Ų17258.9 Ų58.975%0.75432%0.322SS*.THydrogen-bonded Turntrans-98.53.8177.3-60.7-70.5000113.4V22 C23 F24V22-F26 HydrophobicContact CG1-CD2 4.11Å; V22-F26 HydrophobicContact CG1-CE2 4.13Å; V22-F26 VanDerWaalsContact O-CD2 3.26Å; V22-F26 WeakPolarHBondContact O-CD2 3.41Å; V22-F26 PolarHBondContact O-N 2.89Å; C23-F26 CarbonylContact O-C 3.49Å; C23-F26 PolarHBondContact O-N 3.27Å; F24-F26 VanDerWaalsContact C-N 3.27Å; F24-F26 PolarHBondContact O-N 3.22Å
27G88.3Confident89.3Confident5 Ų558.5 Ų58.55%0.05232%0.319CS..  trans-76.3149.5-175.900000113C23 F24C23-G27 VanDerWaalsContact O-CA 3.3Å; C23-G27 WeakPolarHBondContact O-CA 3.47Å; C23-G27 PolarHBondContact O-N 3.45Å; F24-G27 PolarHBondContact O-N 3.26Å; F24-G27 VanDerWaalsContact O-N 3.13Å
28D94.1Very high89.6Confident29 Ų2959.9 Ų59.916%0.15533%0.327CS..SBendtrans-120.611.2174.865.6-10.7000113.3M263 R267 A286 Q287D28-M263 HydrophobicContact CB-CE 3.78Å; D28-M263 WeakPolarHBondContact O-CE 3.2Å; D28-R267 IonicContact OD1-CZ 3.65Å; D28-R267 IonicContact OD1-NE 3.57Å; D28-R267 IonicContact OD1-NH2 2.76Å; D28-R267 PolarHBondContact OD1-NH2 3.26Å; D28-R267 IonicContact OD2-CZ 2.77Å; D28-R267 VanDerWaalsContact OD2-CZ 3.3Å; D28-R267 IonicContact OD2-NE 3.45Å; D28-R267 PolarHBondContact OD2-NE 3.26Å; D28-R267 IonicContact OD2-NH2 3.61Å; D28-R267 PolarHBondContact OD2-NH2 3.01Å; D28-A286 CarbonylContact C-O 2.95Å; D28-A286 VanDerWaalsContact C-O 3.24Å; D28-A286 WeakPolarHBondContact CA-O 3.44Å; D28-A286 CarbonylContact O-C 3.42Å; D28-A286 PolarHBondContact O-N 3.04Å; D28-Q287 HydrophobicContact CB-CG 4.38Å
29A95.7Very high89.8Confident0 Ų061.9 Ų61.90%034%0.337CS..BIsolated β-bridgetrans-150.1166.1173.800000111.8L33 Q34 L271 W284 L291A29-L33 HydrophobicContact CB-CB 4.03Å; A29-L33 HydrophobicContact CB-CD2 3.83Å; A29-L33 HydrophobicContact CB-CG 4.05Å; A29-Q34 HydrophobicContact CB-CG 4.19Å; A29-Q34 PolarHBondContact O-NE2 2.91Å; A29-L271 HydrophobicContact CB-CD1 4.18Å; A29-L271 HydrophobicContact CB-CD2 4.19Å; A29-W284 CarbonylContact C-O 3.51Å; A29-W284 WeakPolarHBondContact CA-O 3.42Å; A29-L291 VanDerWaalsContact O-CD2 3.24Å; A29-L291 WeakPolarHBondContact O-CD2 3.38Å
30D94.4Very high90.4Very high9 Ų959.7 Ų59.75%0.04833%0.329CS..  trans-58159.3169.772.389.4000112.2T32 L33 Q34 W284 Y295D30-T32 VanDerWaalsContact C-N 3.28Å; D30-T32 PolarHBondContact O-N 2.88Å; D30-T32 WeakPolarHBondContact OD1-CA 3.33Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 PolarHBondContact OD1-N 2.81Å; D30-T32 PolarHBondContact OD1-OG1 2.94Å; D30-L33 PolarHBondContact O-N 2.88Å; D30-L33 VanDerWaalsContact O-N 3.16Å; D30-L33 PolarHBondContact OD1-N 3.33Å; D30-L33 WeakPolarHBondContact OD2-CB 3.43Å; D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.03Å; D30-W284 HydrophobicContact CB-CB 4.07Å; D30-W284 HydrophobicContact CB-CG 4.49Å; D30-W284 PolarHBondContact N-O 3.24Å; D30-W284 PolarHBondContact OD2-N 2.74Å; D30-Y295 WeakPolarHBondContact CB-OH 3.01Å
31V91.2Very high91.1Very high36 Ų3661 Ų6122%0.21834%0.335CS..Hα-helixtrans-51.9-45.3-178.2170.80000112.8H20 L33 Q34 L35H20-V31 WeakPolarHBondContact CE1-CG1 3.46Å; H20-V31 WeakPolarHBondContact CE1-CG2 3.46Å; H20-V31 VanDerWaalsContact NE2-CG2 3.32Å; H20-V31 WeakPolarHBondContact NE2-CG2 3.43Å; V31-L33 VanDerWaalsContact C-N 3.32Å; V31-L33 PolarHBondContact O-N 2.96Å; V31-Q34 PolarHBondContact O-N 2.84Å; V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.45Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 2.92Å
32T93.8Very high91.8Very high86 Ų8664.4 Ų64.453%0.52834%0.344SS..Hα-helixtrans-64.1-44.7-176-48.80000109.5D30 L35 A36 V280D30-T32 VanDerWaalsContact C-N 3.28Å; D30-T32 PolarHBondContact O-N 2.88Å; D30-T32 WeakPolarHBondContact OD1-CA 3.33Å; D30-T32 WeakPolarHBondContact OD1-CB 3.47Å; D30-T32 PolarHBondContact OD1-N 2.81Å; D30-T32 PolarHBondContact OD1-OG1 2.94Å; T32-L35 PolarHBondContact O-N 2.98Å; T32-A36 WeakPolarHBondContact O-CB 3.44Å; T32-A36 PolarHBondContact O-N 3.32Å; T32-V280 HydrophobicContact CG2-CG1 4.29Å
33L96.3Very high92.4Very high0 Ų061.2 Ų61.20%033%0.325CS..Hα-helixtrans-70.5-36.5179-171.656.9000112.8A29 D30 V31 A36 S37 L271 V274 V280 M283 I285A29-L33 HydrophobicContact CB-CB 4.03Å; A29-L33 HydrophobicContact CB-CD2 3.83Å; A29-L33 HydrophobicContact CB-CG 4.05Å; D30-L33 PolarHBondContact O-N 2.88Å; D30-L33 VanDerWaalsContact O-N 3.16Å; D30-L33 PolarHBondContact OD1-N 3.33Å; D30-L33 WeakPolarHBondContact OD2-CB 3.43Å; V31-L33 VanDerWaalsContact C-N 3.32Å; V31-L33 PolarHBondContact O-N 2.96Å; L33-A36 PolarHBondContact O-N 3.48Å; L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.32Å; L33-L271 HydrophobicContact CD2-CB 3.99Å; L33-L271 HydrophobicContact CD2-CD2 4.43Å; L33-L271 HydrophobicContact CG-CD2 4.39Å; L33-V274 HydrophobicContact CD1-CB 4.37Å; L33-V274 HydrophobicContact CD1-CG1 3.99Å; L33-V280 HydrophobicContact CD1-CG2 4.33Å; L33-M283 HydrophobicContact CD1-CG 4.34Å; L33-M283 HydrophobicContact CD2-CB 3.88Å; L33-M283 HydrophobicContact CD2-CG 4.15Å; L33-I285 HydrophobicContact CD2-CD1 4.01Å; L33-I285 HydrophobicContact CD2-CG1 3.65Å
34Q93.4Very high93.2Very high34 Ų3461.6 Ų61.616%0.15932%0.321CS..Hα-helixtrans-61.6-46.6173.1-75.2-168.650.500111.5C23 A29 D30 V31 A36 S37 L38C23-Q34 PolarHBondContact O-OE1 2.71Å; A29-Q34 HydrophobicContact CB-CG 4.19Å; A29-Q34 PolarHBondContact O-NE2 2.91Å; D30-Q34 WeakPolarHBondContact O-CG 3.49Å; D30-Q34 PolarHBondContact O-N 3.03Å; V31-Q34 PolarHBondContact O-N 2.84Å; Q34-A36 PolarHBondContact O-N 3.38Å; Q34-S37 WeakPolarHBondContact O-CB 3.45Å; Q34-S37 PolarHBondContact O-N 2.85Å; Q34-S37 VanDerWaalsContact O-N 3.11Å; Q34-L38 WeakPolarHBondContact O-CG 3.31Å; Q34-L38 PolarHBondContact O-N 3.34Å; Q34-L38 VanDerWaalsContact O-N 3.09Å
35L92.8Very high93.8Very high91 Ų9163.5 Ų63.548%0.47634%0.339SS..Hα-helixtrans-60.3-46175.4-70.9172.3000110.9V31 T32 S37 L38 I39V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.45Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.32Å; V31-L35 PolarHBondContact O-N 2.92Å; T32-L35 PolarHBondContact O-N 2.98Å; L35-S37 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 2.7Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.43Å
36A96.2Very high94.4Very high14 Ų1465.7 Ų65.712%0.11634%0.341CS..Hα-helixtrans-58.2-35.5174.900000112.4T32 L33 Q34 L38 G40 V274 N278 V280T32-A36 WeakPolarHBondContact O-CB 3.44Å; T32-A36 PolarHBondContact O-N 3.32Å; L33-A36 PolarHBondContact O-N 3.48Å; Q34-A36 PolarHBondContact O-N 3.38Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 3.24Å; A36-G40 WeakPolarHBondContact O-CA 3.45Å; A36-G40 PolarHBondContact O-N 3.29Å; A36-V274 HydrophobicContact CB-CG1 3.97Å; A36-N278 HydrophobicContact CB-CB 4.05Å; A36-V280 HydrophobicContact CB-CG2 4.06Å
37S94.6Very high95Very high51 Ų5157.7 Ų57.736%0.35731%0.306SS..Hα-helixtrans-70.3-27176.1-172.50000113.7L33 Q34 L35L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.32Å; Q34-S37 WeakPolarHBondContact O-CB 3.45Å; Q34-S37 PolarHBondContact O-N 2.85Å; Q34-S37 VanDerWaalsContact O-N 3.11Å; L35-S37 PolarHBondContact O-N 3.45Å
38L92.6Very high95.5Very high132 Ų13264.7 Ų64.769%0.69133%0.331SS*.Hα-helixtrans-89.6-45-177-69.6172.1000112.4Q34 L35 A36Q34-L38 WeakPolarHBondContact O-CG 3.31Å; Q34-L38 PolarHBondContact O-N 3.34Å; Q34-L38 VanDerWaalsContact O-N 3.09Å; L35-L38 PolarHBondContact O-N 2.7Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 3.24Å
39I95.1Very high95.7Very high149 Ų14965.1 Ų65.176%0.76434%0.342SS*.Hα-helixtrans-121.8-7.3-170.460.8162.7000114L35L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.43Å
40G95.6Very high95.9Very high30 Ų3067.4 Ų67.431%0.30935%0.354SS..SBendtrans-78-177.4-177.600000114A36 N278A36-G40 WeakPolarHBondContact O-CA 3.45Å; A36-G40 PolarHBondContact O-N 3.29Å; G40-N278 VanDerWaalsContact CA-OD1 3.25Å; G40-N278 WeakPolarHBondContact CA-OD1 3.29Å
41H96.8Very high96.1Very high109 Ų10967 Ų6751%0.50535%0.352SS..  trans-68.5142.5173.1-60.7-61.1000111.8R46 N278H41-R46 HydrophobicContact CB-CG 3.42Å; H41-R46 VanDerWaalsContact CB-CG 3.42Å; H41-N278 PolarHBondContact N-OD1 2.78Å; H41-N278 PolarHBondContact O-ND2 2.88Å
42K97.4Very high96.5Very high150 Ų15065.3 Ų65.365%0.65234%0.342SS*.  trans-73.9135175.8-65.8-173179.6-179.20110.8E44 S45 R46K42-E44 PolarHBondContact O-N 3.32Å; K42-S45 PolarHBondContact O-N 2.88Å; K42-S45 PolarHBondContact O-OG 3Å; K42-R46 PolarHBondContact O-N 3.23Å
43P97.8Very high96.7Very high2 Ų261.2 Ų61.21%0.01332%0.317CS..Hα-helixtrans-54.1-38.7176.6-28.836.5000114S45 R46 L47 L273 V274 A277P43-S45 PolarHBondContact O-N 3.15Å; P43-R46 PolarHBondContact O-N 3.19Å; P43-L47 HydrophobicContact CB-CD1 4.06Å; P43-L47 WeakPolarHBondContact O-CB 3.25Å; P43-L47 WeakPolarHBondContact O-CG 3.42Å; P43-L47 PolarHBondContact O-N 2.9Å; P43-L273 HydrophobicContact CB-CB 3.94Å; P43-L273 HydrophobicContact CG-CB 3.98Å; P43-V274 HydrophobicContact CG-CG2 3.97Å; P43-A277 HydrophobicContact CB-CB 4.48Å; P43-A277 HydrophobicContact CG-CB 4.41Å
44E97.2Very high96.8Very high62 Ų6261.2 Ų61.229%0.2932%0.317SS..Hα-helixtrans-64.7-22.3-176.3-5982177.200113.4K42 R48 R270K42-E44 PolarHBondContact O-N 3.32Å; E44-R48 PolarHBondContact O-NE 3.33Å; E44-R270 IonicContact OE1-CZ 3.98Å; E44-R270 VanDerWaalsContact OE1-CZ 3.27Å; E44-R270 IonicContact OE1-NH1 3.61Å; E44-R270 PolarHBondContact OE1-NH1 2.97Å; E44-R270 IonicContact OE1-NH2 3.57Å; E44-R270 PolarHBondContact OE1-NH2 3.44Å; E44-R270 IonicContact OE2-NH2 2.82Å
45S96.6Very high97.1Very high79 Ų7959.7 Ų59.755%0.55231%0.31SS*.Hα-helixtrans-95.1-35.9175.766.40000112.6K42 P43K42-S45 PolarHBondContact O-N 2.88Å; K42-S45 PolarHBondContact O-OG 3Å; P43-S45 PolarHBondContact O-N 3.15Å
46R97.8Very high97.3Very high139 Ų13956.3 Ų56.353%0.52530%0.296SS..Hα-helixtrans-86-28.5-175.2-64.5-61.8-64.6171-1.7114.4H41 K42 P43 L50 A277H41-R46 HydrophobicContact CB-CG 3.42Å; H41-R46 VanDerWaalsContact CB-CG 3.42Å; K42-R46 PolarHBondContact O-N 3.23Å; P43-R46 PolarHBondContact O-N 3.19Å; R46-L50 WeakPolarHBondContact O-CD1 3.18Å; R46-A277 HydrophobicContact CB-CB 3.88Å; R46-A277 HydrophobicContact CG-CB 4.26Å
47L98.4Very high97.4Very high5 Ų555.6 Ų55.63%0.02629%0.291CS..SBendtrans-98.2-7.9-175.7-56.2179.4000113.1P43 G49 L50 L69 C72 S74 L273 I276P43-L47 HydrophobicContact CB-CD1 4.06Å; P43-L47 WeakPolarHBondContact O-CB 3.25Å; P43-L47 WeakPolarHBondContact O-CG 3.42Å; P43-L47 PolarHBondContact O-N 2.9Å; L47-G49 PolarHBondContact O-N 3.17Å; L47-L50 HydrophobicContact CD2-CD1 4.09Å; L47-L50 PolarHBondContact O-N 3.35Å; L47-L69 HydrophobicContact CD1-CD2 3.83Å; L47-C72 HydrophobicContact CB-CB 4.31Å; L47-S74 WeakPolarHBondContact O-CB 3.18Å; L47-S74 PolarHBondContact O-OG 3Å; L47-L273 HydrophobicContact CD1-CB 4.16Å; L47-L273 HydrophobicContact CD1-CD2 3.95Å; L47-L273 HydrophobicContact CD1-CG 4.44Å; L47-I276 HydrophobicContact CD2-CG2 3.91Å
48R98.4Very high97.5Very high152 Ų15253.7 Ų53.757%0.57428%0.278SS*.THydrogen-bonded Turntrans-61.3131.9179.6-177.6176-66.9-105.1-4.7110.9E44 L50 C72E44-R48 PolarHBondContact O-NE 3.33Å; R48-L50 PolarHBondContact O-N 3.36Å; R48-L50 VanDerWaalsContact O-N 3.17Å; R48-C72 WeakPolarHBondContact CA-O 3.35Å; R48-C72 WeakPolarHBondContact CB-O 3.22Å
49G98.2Very high97.7Very high37 Ų3748.9 Ų48.938%0.38126%0.255SS..THydrogen-bonded Turntrans76.1-12.1177.400000115.5L47 G73 R75L47-G49 PolarHBondContact O-N 3.17Å; G49-G73 PolarHBondContact N-O 3.47Å; G49-R75 PolarHBondContact O-NE 2.99Å; G49-R75 PolarHBondContact O-NH2 3.18Å
50L98.8Very high97.7Very high49 Ų4942.7 Ų42.726%0.25723%0.228SC..  trans-66.6147178.1-61-168.3000111.3R46 L47 R48 V52 S74 R75 D132 V133R46-L50 WeakPolarHBondContact O-CD1 3.18Å; L47-L50 HydrophobicContact CD2-CD1 4.09Å; L47-L50 PolarHBondContact O-N 3.35Å; R48-L50 PolarHBondContact O-N 3.36Å; R48-L50 VanDerWaalsContact O-N 3.17Å; L50-V52 HydrophobicContact CB-CG2 4.26Å; L50-S74 CarbonylContact O-C 3.58Å; L50-R75 PolarHBondContact O-N 2.95Å; L50-D132 VanDerWaalsContact CA-OD2 3.32Å; L50-D132 WeakPolarHBondContact CA-OD2 3.22Å; L50-D132 HydrophobicContact CB-CB 3.97Å; L50-D132 HydrophobicContact CD1-CB 4.41Å; L50-D132 HydrophobicContact CD2-CB 4.2Å; L50-D132 HydrophobicContact CG-CB 4.42Å; L50-V133 HydrophobicContact CD1-CG2 4.31Å
51V98.9Very high97.8Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-88109.8171.5-1730000109.2V77 F128 H130 D132 V133V51-V77 HydrophobicContact CG1-CG2 4.47Å; V51-F128 HydrophobicContact CB-CB 4.49Å; V51-F128 HydrophobicContact CG1-CB 3.86Å; V51-F128 HydrophobicContact CG1-CD2 3.78Å; V51-F128 HydrophobicContact CG1-CE2 4.48Å; V51-F128 HydrophobicContact CG1-CG 3.87Å; V51-F128 HydrophobicContact CG2-CB 3.81Å; V51-F128 HydrophobicContact CG2-CG 4.23Å; V51-H130 WeakPolarHBondContact CG1-O 3.44Å; V51-D132 PolarHBondContact N-OD2 2.83Å; V51-D132 WeakPolarHBondContact O-CB 3.36Å; V51-D132 PolarHBondContact O-N 2.76Å; V51-V133 PolarHBondContact O-N 2.87Å; V51-V133 VanDerWaalsContact O-N 3.1Å
52V98.9Very high97.9Very high1 Ų137.1 Ų37.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-113.4116.7-176.8-174.60000110.2L50 V54 L69 R75 L76 V77 V133 I135L50-V52 HydrophobicContact CB-CG2 4.26Å; V52-V54 HydrophobicContact CG1-CG2 4.02Å; V52-L69 HydrophobicContact CB-CD1 4.23Å; V52-L69 HydrophobicContact CG1-CD1 3.6Å; V52-L69 HydrophobicContact CG1-CD2 4.45Å; V52-L69 HydrophobicContact CG2-CD2 4.31Å; V52-R75 PolarHBondContact N-O 3.48Å; V52-L76 HydrophobicContact CB-CD2 4.24Å; V52-L76 WeakPolarHBondContact O-CA 3.31Å; V52-V77 PolarHBondContact O-N 3.46Å; V52-V133 CarbonylContact C-O 3.59Å; V52-V133 WeakPolarHBondContact CA-O 3.41Å; V52-V133 HydrophobicContact CB-CB 4.41Å; V52-V133 HydrophobicContact CG1-CB 4.04Å; V52-V133 HydrophobicContact CG1-CG1 4.31Å; V52-V133 HydrophobicContact CG2-CB 4.08Å; V52-V133 HydrophobicContact CG2-CG2 4.22Å; V52-I135 HydrophobicContact CG1-CD1 3.69Å; V52-I135 HydrophobicContact CG1-CG1 3.96Å
53W98.9Very high98Very high0 Ų031.5 Ų31.50%017%0.17CC..EExtended strand (participates in β ladder)trans-95.9114.4175.6-171.31.5000110.8V77 S79 L107 L109 K120 T121 V124 I131 V133 L134 I135 L168 V172W53-V77 HydrophobicContact CB-CB 3.97Å; W53-V77 HydrophobicContact CB-CG2 4.37Å; W53-V77 VanDerWaalsContact CD1-CG1 3.43Å; W53-V77 HydrophobicContact CD2-CB 4.47Å; W53-V77 HydrophobicContact CD2-CG1 4.22Å; W53-V77 HydrophobicContact CG-CB 3.76Å; W53-V77 HydrophobicContact CG-CG1 3.91Å; W53-V77 HydrophobicContact CG-CG2 4.42Å; W53-S79 PolarHBondContact NE1-OG 2.73Å; W53-L107 HydrophobicContact CH2-CD2 4.39Å; W53-L107 HydrophobicContact CZ2-CD2 3.79Å; W53-L109 HydrophobicContact CZ2-CD2 4.3Å; W53-K120 HydrophobicContact CH2-CB 4.18Å; W53-K120 HydrophobicContact CZ2-CB 4.37Å; W53-T121 HydrophobicContact CZ3-CG2 4.38Å; W53-V124 HydrophobicContact CD2-CG2 4.15Å; W53-V124 HydrophobicContact CE3-CG2 4.01Å; W53-V124 HydrophobicContact CH2-CG2 4.02Å; W53-V124 HydrophobicContact CZ2-CG2 4.16Å; W53-V124 HydrophobicContact CZ3-CB 4.45Å; W53-V124 HydrophobicContact CZ3-CG2 3.95Å; W53-I131 HydrophobicContact CB-CG2 4.41Å; W53-I131 HydrophobicContact CE3-CD1 3.71Å; W53-I131 HydrophobicContact CE3-CG1 4.44Å; W53-I131 HydrophobicContact CZ3-CD1 3.93Å; W53-V133 PolarHBondContact N-O 2.79Å; W53-L134 HydrophobicContact CB-CD1 4.21Å; W53-L134 HydrophobicContact CD2-CD1 4.19Å; W53-L134 HydrophobicContact CE3-CD1 4.21Å; W53-L134 HydrophobicContact CG-CD1 4.19Å; W53-I135 PolarHBondContact O-N 3.13Å; W53-L168 HydrophobicContact CH2-CD1 3.69Å; W53-L168 HydrophobicContact CZ2-CD1 4.13Å; W53-L168 HydrophobicContact CZ3-CD1 4.12Å; W53-V172 HydrophobicContact CE3-CG2 4.06Å; W53-V172 HydrophobicContact CZ3-CG2 3.81Å
54V98.9Very high98Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-107.5119.5-179.9-1710000110.3V52 A57 L65 L69 V77 S79 I135V52-V54 HydrophobicContact CG1-CG2 4.02Å; V54-A57 HydrophobicContact CB-CB 4.2Å; V54-A57 HydrophobicContact CG1-CB 4.08Å; V54-L65 HydrophobicContact CG1-CB 4.36Å; V54-L65 HydrophobicContact CG1-CD1 4.29Å; V54-L69 HydrophobicContact CG2-CD1 3.91Å; V54-V77 PolarHBondContact N-O 2.97Å; V54-S79 PolarHBondContact O-N 3.23Å; V54-I135 HydrophobicContact CG2-CB 4.46Å; V54-I135 HydrophobicContact CG2-CD1 4.26Å
55T98.8Very high98.1Very high2 Ų230.1 Ų30.11%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-90.1149.6170.360.70000111.3A57 S79 L109 I135 N136 N137 G138 L168T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.25Å; T55-S79 CarbonylContact C-O 3.52Å; T55-S79 WeakPolarHBondContact CA-O 3.38Å; T55-L109 HydrophobicContact CG2-CD2 4.11Å; T55-I135 PolarHBondContact N-O 3Å; T55-I135 PolarHBondContact OG1-O 3.03Å; T55-N136 WeakPolarHBondContact OG1-CA 3.46Å; T55-N137 VanDerWaalsContact O-CB 3.24Å; T55-N137 WeakPolarHBondContact O-CB 3.44Å; T55-N137 PolarHBondContact O-ND2 2.76Å; T55-N137 PolarHBondContact OG1-N 2.88Å; T55-G138 PolarHBondContact O-N 3.45Å; T55-G138 PolarHBondContact OG1-N 3.2Å; T55-G138 VanDerWaalsContact OG1-N 3.13Å; T55-L168 HydrophobicContact CG2-CD2 3.46Å; T55-L168 VanDerWaalsContact CG2-CD2 3.46Å
56G97.8Very high98.2Very high19 Ų1926.4 Ų26.420%0.19614%0.138CC..THydrogen-bonded Turntrans6531-172.800000112.8S58 S79 N137G56-S58 PolarHBondContact O-N 2.98Å; G56-S79 PolarHBondContact N-O 3.48Å; G56-N137 PolarHBondContact O-ND2 3.01Å
57A98.3Very high98.3Very high0 Ų021 Ų210%012%0.118CC..THydrogen-bonded Turntrans-74.6-1.3-173.100000114.9V54 T55 E63 L78 S79 L86V54-A57 HydrophobicContact CB-CB 4.2Å; V54-A57 HydrophobicContact CG1-CB 4.08Å; T55-A57 VanDerWaalsContact C-N 3.26Å; T55-A57 PolarHBondContact O-N 3.25Å; A57-E63 WeakPolarHBondContact O-CA 3.4Å; A57-L78 HydrophobicContact CB-CB 4.13Å; A57-L78 HydrophobicContact CB-CD2 4.09Å; A57-S79 PolarHBondContact N-O 3.1Å; A57-S79 VanDerWaalsContact N-O 3.13Å; A57-L86 HydrophobicContact CB-CD2 4.03Å
58S97.3Very high98.3Very high11 Ų1121.6 Ų21.68%0.07712%0.12CC..THydrogen-bonded Turntrans-88.8-5.2-171.159.20000115.5G56 A80 R88G56-S58 PolarHBondContact O-N 2.98Å; S58-A80 WeakPolarHBondContact OG-CB 3.28Å; S58-R88 PolarHBondContact O-NH2 2.83Å
59S96.1Very high98.3Very high30 Ų3014.5 Ų14.521%0.219%0.093CC..SBendtrans-165166.1178.156.40000112.1G62 E63S59-G62 PolarHBondContact O-N 3.37Å; S59-E63 WeakPolarHBondContact CA-OE2 3.47Å; S59-E63 PolarHBondContact O-N 3.18Å
60G95.7Very high98.3Very high19 Ų1912.7 Ų12.720%0.1968%0.075CC..Hα-helixtrans57.5-134.7169.700000113.9G62 E63 E64G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.49Å; G60-E63 PolarHBondContact O-N 3.25Å; G60-E64 PolarHBondContact O-N 3.18Å; G60-E64 VanDerWaalsContact O-N 3.09Å
61I97.9Very high98.3Very high23 Ų2316.4 Ų16.412%0.1189%0.089CC..Hα-helixtrans-59.9-38.9-178-66.1174.5000111.7E64 L65 P233 V236 T265 V269 M272I61-E64 PolarHBondContact O-N 2.9Å; I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 HydrophobicContact CG2-CG 4.36Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 3.45Å; I61-P233 HydrophobicContact CD1-CB 4.36Å; I61-P233 HydrophobicContact CD1-CG 4.24Å; I61-V236 HydrophobicContact CD1-CB 4.47Å; I61-V236 HydrophobicContact CD1-CG1 4.31Å; I61-V236 HydrophobicContact CG1-CG1 4.29Å; I61-T265 HydrophobicContact CB-CG2 4.45Å; I61-T265 HydrophobicContact CG1-CG2 3.94Å; I61-V269 HydrophobicContact CG2-CG2 4Å; I61-M272 HydrophobicContact CG2-CE 3.94Å; I61-M272 HydrophobicContact CG2-SD 3.68Å
62G98.3Very high98.3Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-67.8-38.5-179.100000113.4S59 G60 L65 A66 N137S59-G62 PolarHBondContact O-N 3.37Å; G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.49Å; G62-L65 WeakPolarHBondContact O-CB 3.45Å; G62-A66 PolarHBondContact O-N 2.89Å; G62-A66 VanDerWaalsContact O-N 3.14Å; G62-N137 WeakPolarHBondContact CA-ND2 3.49Å
63E98.6Very high98.3Very high31 Ų3117 Ų1715%0.14510%0.095CC..Hα-helixtrans-66-47.2174169170.7171.600111.2A57 S59 G60 L65 A66 Y67 R88 V89A57-E63 WeakPolarHBondContact O-CA 3.4Å; S59-E63 WeakPolarHBondContact CA-OE2 3.47Å; S59-E63 PolarHBondContact O-N 3.18Å; G60-E63 PolarHBondContact O-N 3.25Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.45Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.94Å; E63-A66 VanDerWaalsContact O-N 3.12Å; E63-Y67 VanDerWaalsContact CD-OH 3.27Å; E63-Y67 HydrophobicContact CG-CD2 4.17Å; E63-Y67 HydrophobicContact CG-CE1 4.2Å; E63-Y67 HydrophobicContact CG-CE2 3.39Å; E63-Y67 VanDerWaalsContact CG-CZ 3.41Å; E63-Y67 WeakPolarHBondContact CG-OH 3.32Å; E63-Y67 PolarHBondContact O-N 3.03Å; E63-Y67 VanDerWaalsContact O-N 3.08Å; E63-Y67 WeakPolarHBondContact OE1-CE2 3.36Å; E63-Y67 VanDerWaalsContact OE1-CZ 3.29Å; E63-Y67 PolarHBondContact OE1-OH 3.14Å; E63-R88 IonicContact OE1-CZ 2.97Å; E63-R88 IonicContact OE1-NH1 3.69Å; E63-R88 PolarHBondContact OE1-NH1 3.26Å; E63-R88 IonicContact OE1-NH2 2.88Å; E63-R88 PolarHBondContact OE1-NH2 3.1Å; E63-R88 IonicContact OE2-CZ 2.9Å; E63-R88 IonicContact OE2-NH1 3.51Å; E63-R88 IonicContact OE2-NH2 2.67Å; E63-R88 PolarHBondContact OE2-NH2 2.84Å; E63-V89 HydrophobicContact CB-CG2 4.24Å; E63-V89 HydrophobicContact CG-CG1 4.47Å; E63-V89 HydrophobicContact CG-CG2 3.77Å
64E98.8Very high98.3Very high36 Ų3617 Ų1717%0.16810%0.095CC..Hα-helixtrans-66.9-33178.7-179.564.8-166.900112.2G60 I61 Y67 Q68 T265 S266 V269G60-E64 PolarHBondContact O-N 3.18Å; G60-E64 VanDerWaalsContact O-N 3.09Å; I61-E64 PolarHBondContact O-N 2.9Å; E64-Y67 PolarHBondContact O-N 2.88Å; E64-Q68 PolarHBondContact O-N 3.22Å; E64-Q68 PolarHBondContact OE1-NE2 3.33Å; E64-T265 HydrophobicContact CB-CG2 3.82Å; E64-T265 HydrophobicContact CG-CG2 4.23Å; E64-S266 WeakPolarHBondContact OE1-CA 3.42Å; E64-S266 VanDerWaalsContact OE1-CB 3.22Å; E64-S266 WeakPolarHBondContact OE1-CB 3.22Å; E64-S266 PolarHBondContact OE1-OG 3.25Å; E64-V269 HydrophobicContact CB-CB 4.49Å; E64-V269 HydrophobicContact CB-CG2 3.83Å; E64-V269 HydrophobicContact CG-CB 3.81Å; E64-V269 HydrophobicContact CG-CG1 4.18Å; E64-V269 HydrophobicContact CG-CG2 3.65Å
65L98.9Very high98.3Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-56.6-49.3168.9-86.5165.6000110.7V54 I61 G62 E63 Y67 Q68 L69 I135 V269 M272 L273V54-L65 HydrophobicContact CG1-CB 4.36Å; V54-L65 HydrophobicContact CG1-CD1 4.29Å; I61-L65 HydrophobicContact CG2-CD1 4Å; I61-L65 HydrophobicContact CG2-CG 4.36Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 3.45Å; G62-L65 WeakPolarHBondContact O-CB 3.45Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.45Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 2.75Å; L65-Q68 PolarHBondContact O-N 2.97Å; L65-L69 HydrophobicContact CB-CD1 4.42Å; L65-L69 VanDerWaalsContact O-CB 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CD1 3.47Å; L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 3.27Å; L65-I135 HydrophobicContact CD1-CD1 4.49Å; L65-I135 HydrophobicContact CD1-CG2 3.91Å; L65-I135 HydrophobicContact CD2-CD1 4.15Å; L65-V269 HydrophobicContact CB-CG1 4.47Å; L65-V269 HydrophobicContact CD2-CG1 3.87Å; L65-V269 HydrophobicContact CG-CG1 4.06Å; L65-V269 HydrophobicContact CG-CG2 4.04Å; L65-M272 HydrophobicContact CD1-CE 3.78Å; L65-M272 HydrophobicContact CD2-CE 4.12Å; L65-M272 HydrophobicContact CG-CE 4.28Å; L65-L273 HydrophobicContact CD2-CD2 3.85Å
66A98.9Very high98.3Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-57.3-45.5177.800000111.1G62 E63 A70 L76 L78 V89G62-A66 PolarHBondContact O-N 2.89Å; G62-A66 VanDerWaalsContact O-N 3.14Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.94Å; E63-A66 VanDerWaalsContact O-N 3.12Å; A66-A70 VanDerWaalsContact O-CB 3.25Å; A66-A70 WeakPolarHBondContact O-CB 3.41Å; A66-A70 PolarHBondContact O-N 3.02Å; A66-L76 HydrophobicContact CB-CD1 4.39Å; A66-L76 WeakPolarHBondContact O-CD1 3.28Å; A66-L78 HydrophobicContact CB-CD2 3.61Å; A66-V89 HydrophobicContact CB-CG1 3.68Å
67Y98.9Very high98.3Very high26 Ų2619 Ų1910%0.10210%0.096CC..Hα-helixtrans-62.3-47179.2-62-22.1000113.6E63 E64 L65 K71 R88 V89 K92 I96E63-Y67 VanDerWaalsContact CD-OH 3.27Å; E63-Y67 HydrophobicContact CG-CD2 4.17Å; E63-Y67 HydrophobicContact CG-CE1 4.2Å; E63-Y67 HydrophobicContact CG-CE2 3.39Å; E63-Y67 VanDerWaalsContact CG-CZ 3.41Å; E63-Y67 WeakPolarHBondContact CG-OH 3.32Å; E63-Y67 PolarHBondContact O-N 3.03Å; E63-Y67 VanDerWaalsContact O-N 3.08Å; E63-Y67 WeakPolarHBondContact OE1-CE2 3.36Å; E63-Y67 VanDerWaalsContact OE1-CZ 3.29Å; E63-Y67 PolarHBondContact OE1-OH 3.14Å; E64-Y67 PolarHBondContact O-N 2.88Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 2.75Å; Y67-K71 WeakPolarHBondContact O-CG 3.37Å; Y67-K71 PolarHBondContact O-N 3.42Å; Y67-K71 VanDerWaalsContact O-N 3.12Å; Y67-R88 PolarHBondContact OH-NH1 3.47Å; Y67-V89 HydrophobicContact CD1-CG1 4.41Å; Y67-V89 HydrophobicContact CE1-CB 4.37Å; Y67-V89 HydrophobicContact CE1-CG1 3.77Å; Y67-K92 HydrophobicContact CD1-CB 4.41Å; Y67-K92 HydrophobicContact CD1-CG 4.18Å; Y67-K92 HydrophobicContact CE1-CB 3.58Å; Y67-K92 HydrophobicContact CE1-CG 3.6Å; Y67-K92 HydrophobicContact CE2-CG 4.39Å; Y67-I96 HydrophobicContact CD1-CD1 4Å; Y67-I96 HydrophobicContact CG-CD1 4.01Å
68Q98.9Very high98.4Very high18 Ų1819 Ų198%0.08410%0.096CC..Hα-helixtrans-74.4-34.7-178.5-66.7-168.235.500112.5E64 L65 K71 C72 S266 V269 L273E64-Q68 PolarHBondContact O-N 3.22Å; E64-Q68 PolarHBondContact OE1-NE2 3.33Å; L65-Q68 PolarHBondContact O-N 2.97Å; Q68-K71 PolarHBondContact O-N 3.49Å; Q68-C72 PolarHBondContact O-N 3.43Å; Q68-C72 PolarHBondContact O-SG 3.16Å; Q68-S266 PolarHBondContact NE2-O 2.62Å; Q68-S266 PolarHBondContact NE2-OG 2.89Å; Q68-V269 HydrophobicContact CB-CG1 4.02Å; Q68-V269 HydrophobicContact CG-CG1 4.01Å; Q68-L273 HydrophobicContact CB-CD1 3.52Å
69L98.9Very high98.4Very high2 Ų218.5 Ų18.51%0.019%0.093CC..Hα-helixtrans-66-39.8172.9-71.6165.9000111.5L47 V52 V54 L65 K71 C72 G73 S74 L76 I135 L273L47-L69 HydrophobicContact CD1-CD2 3.83Å; V52-L69 HydrophobicContact CB-CD1 4.23Å; V52-L69 HydrophobicContact CG1-CD1 3.6Å; V52-L69 HydrophobicContact CG1-CD2 4.45Å; V52-L69 HydrophobicContact CG2-CD2 4.31Å; V54-L69 HydrophobicContact CG2-CD1 3.91Å; L65-L69 HydrophobicContact CB-CD1 4.42Å; L65-L69 VanDerWaalsContact O-CB 3.22Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CD1 3.47Å; L65-L69 WeakPolarHBondContact O-CG 3.15Å; L65-L69 PolarHBondContact O-N 3.27Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.21Å; L69-C72 CarbonylContact O-C 3.58Å; L69-C72 WeakPolarHBondContact O-CA 3.41Å; L69-C72 WeakPolarHBondContact O-CB 3.39Å; L69-C72 PolarHBondContact O-N 3.28Å; L69-G73 PolarHBondContact O-N 3.15Å; L69-G73 VanDerWaalsContact O-N 3.15Å; L69-S74 PolarHBondContact O-N 3.23Å; L69-S74 PolarHBondContact O-OG 2.99Å; L69-L76 HydrophobicContact CB-CD2 3.71Å; L69-L76 HydrophobicContact CD1-CD2 4.1Å; L69-I135 HydrophobicContact CD1-CD1 4.09Å; L69-L273 HydrophobicContact CD2-CD1 4.45Å; L69-L273 HydrophobicContact CD2-CD2 3.57Å; L69-L273 HydrophobicContact CG-CD2 3.9Å
70A98.8Very high98.5Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-58.8-45.8173.200000111.3A66 C72 G73 L76 C93 S97 L99A66-A70 VanDerWaalsContact O-CB 3.25Å; A66-A70 WeakPolarHBondContact O-CB 3.41Å; A66-A70 PolarHBondContact O-N 3.02Å; A70-C72 PolarHBondContact O-N 2.92Å; A70-G73 WeakPolarHBondContact O-CA 3.38Å; A70-G73 PolarHBondContact O-N 2.76Å; A70-L76 HydrophobicContact CB-CD1 4Å; A70-C93 HydrophobicContact CB-CB 3.72Å; A70-S97 WeakPolarHBondContact O-CB 3.37Å; A70-L99 HydrophobicContact CB-CD1 3.85Å
71K98.6Very high98.6Very high127 Ų12723.9 Ų23.955%0.55211%0.105SC*.Hα-helixtrans-61.8-29.8173.7-71.5175.9-177.7175.30113.5Y67 Q68 L69 G73 I96Y67-K71 WeakPolarHBondContact O-CG 3.37Å; Y67-K71 PolarHBondContact O-N 3.42Å; Y67-K71 VanDerWaalsContact O-N 3.12Å; Q68-K71 PolarHBondContact O-N 3.49Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.21Å; K71-G73 PolarHBondContact O-N 3.26Å; K71-I96 HydrophobicContact CG-CG1 4.25Å
72C98.4Very high98.6Very high3 Ų327.5 Ų27.52%0.0212%0.117CC..Hα-helixtrans-73.4-13.2172.2-65.30000112.8L47 R48 Q68 L69 A70L47-C72 HydrophobicContact CB-CB 4.31Å; R48-C72 WeakPolarHBondContact CA-O 3.35Å; R48-C72 WeakPolarHBondContact CB-O 3.22Å; Q68-C72 PolarHBondContact O-N 3.43Å; Q68-C72 PolarHBondContact O-SG 3.16Å; L69-C72 CarbonylContact O-C 3.58Å; L69-C72 WeakPolarHBondContact O-CA 3.41Å; L69-C72 WeakPolarHBondContact O-CB 3.39Å; L69-C72 PolarHBondContact O-N 3.28Å; A70-C72 PolarHBondContact O-N 2.92Å
73G98.4Very high98.6Very high11 Ų1132.6 Ų32.611%0.11314%0.141CC..THydrogen-bonded Turntrans80.226.3-175.900000113.3G49 L69 A70 K71G49-G73 PolarHBondContact N-O 3.47Å; L69-G73 PolarHBondContact O-N 3.15Å; L69-G73 VanDerWaalsContact O-N 3.15Å; A70-G73 WeakPolarHBondContact O-CA 3.38Å; A70-G73 PolarHBondContact O-N 2.76Å; K71-G73 PolarHBondContact O-N 3.26Å
74S98.8Very high98.6Very high0 Ų035.7 Ų35.70%016%0.158CC..  trans-76.9141.7172-540000110.3L47 L50 L69 L99L47-S74 WeakPolarHBondContact O-CB 3.18Å; L47-S74 PolarHBondContact O-OG 3Å; L50-S74 CarbonylContact O-C 3.58Å; L69-S74 PolarHBondContact O-N 3.23Å; L69-S74 PolarHBondContact O-OG 2.99Å; S74-L99 VanDerWaalsContact O-CD1 3.23Å; S74-L99 WeakPolarHBondContact O-CD1 3.02Å
75R98.9Very high98.5Very high61 Ų6136.5 Ų36.523%0.2316%0.162CC..EExtended strand (participates in β ladder)trans-76.4141167.3-66.7179.3-69.7158.44.2108.6G49 L50 V52 D103 F128 H130G49-R75 PolarHBondContact O-NE 2.99Å; G49-R75 PolarHBondContact O-NH2 3.18Å; L50-R75 PolarHBondContact O-N 2.95Å; V52-R75 PolarHBondContact N-O 3.48Å; R75-D103 CarbonylContact C-O 3.56Å; R75-D103 VanDerWaalsContact CA-O 3.29Å; R75-D103 WeakPolarHBondContact CA-O 3.35Å; R75-D103 HydrophobicContact CG-CB 4Å; R75-D103 WeakPolarHBondContact CG-OD1 3.38Å; R75-F128 HydrophobicContact CB-CD1 4.48Å; R75-F128 HydrophobicContact CB-CE1 4.11Å; R75-H130 PolarHBondContact NH2-NE2 3.33Å
76L98.9Very high98.5Very high0 Ų036.5 Ų36.50%016%0.162CC..EExtended strand (participates in β ladder)trans-122.3138-166-62.5179.2000112.1V52 A66 L69 A70 L78 D103 I104 L105V52-L76 HydrophobicContact CB-CD2 4.24Å; V52-L76 WeakPolarHBondContact O-CA 3.31Å; A66-L76 HydrophobicContact CB-CD1 4.39Å; A66-L76 WeakPolarHBondContact O-CD1 3.28Å; L69-L76 HydrophobicContact CB-CD2 3.71Å; L69-L76 HydrophobicContact CD1-CD2 4.1Å; A70-L76 HydrophobicContact CB-CD1 4Å; L76-L78 HydrophobicContact CB-CD2 4.03Å; L76-L78 HydrophobicContact CB-CG 4.37Å; L76-L78 HydrophobicContact CD1-CD2 4.26Å; L76-D103 PolarHBondContact N-O 3.08Å; L76-I104 HydrophobicContact CB-CG1 4.32Å; L76-I104 HydrophobicContact CB-CG2 4.13Å; L76-I104 HydrophobicContact CD1-CD1 4.43Å; L76-I104 CarbonylContact O-C 3.58Å; L76-I104 WeakPolarHBondContact O-CA 3.31Å; L76-L105 PolarHBondContact O-N 2.9Å
77V98.9Very high98.5Very high0 Ų039.4 Ų39.40%018%0.178CC..EExtended strand (participates in β ladder)trans-110.7117.8158.3-174.80000107.1V51 V52 W53 V54 L105 L107 V124 F128V51-V77 HydrophobicContact CG1-CG2 4.47Å; V52-V77 PolarHBondContact O-N 3.46Å; W53-V77 HydrophobicContact CB-CB 3.97Å; W53-V77 HydrophobicContact CB-CG2 4.37Å; W53-V77 VanDerWaalsContact CD1-CG1 3.43Å; W53-V77 HydrophobicContact CD2-CB 4.47Å; W53-V77 HydrophobicContact CD2-CG1 4.22Å; W53-V77 HydrophobicContact CG-CB 3.76Å; W53-V77 HydrophobicContact CG-CG1 3.91Å; W53-V77 HydrophobicContact CG-CG2 4.42Å; V54-V77 PolarHBondContact N-O 2.97Å; V77-L105 CarbonylContact C-O 3.23Å; V77-L105 WeakPolarHBondContact CA-O 3.4Å; V77-L105 HydrophobicContact CG1-CD2 4.29Å; V77-L105 HydrophobicContact CG2-CB 4.43Å; V77-L105 HydrophobicContact CG2-CD2 4.43Å; V77-L107 HydrophobicContact CG1-CB 3.86Å; V77-L107 HydrophobicContact CG1-CD2 3.94Å; V77-V124 HydrophobicContact CB-CG2 4.38Å; V77-V124 HydrophobicContact CG1-CG2 3.73Å; V77-V124 HydrophobicContact CG2-CB 4.37Å; V77-V124 HydrophobicContact CG2-CG1 3.58Å; V77-V124 HydrophobicContact CG2-CG2 3.88Å; V77-F128 HydrophobicContact CG2-CD2 3.92Å; V77-F128 HydrophobicContact CG2-CE2 3.66Å
78L98.9Very high98.5Very high0 Ų043 Ų430%019%0.191CC..EExtended strand (participates in β ladder)trans-103.4115-178.4-54.8-177.6000109.2A57 A66 L76 L86 V89 K90 I104 L105 L107A57-L78 HydrophobicContact CB-CB 4.13Å; A57-L78 HydrophobicContact CB-CD2 4.09Å; A66-L78 HydrophobicContact CB-CD2 3.61Å; L76-L78 HydrophobicContact CB-CD2 4.03Å; L76-L78 HydrophobicContact CB-CG 4.37Å; L76-L78 HydrophobicContact CD1-CD2 4.26Å; L78-L86 HydrophobicContact CB-CD2 4Å; L78-V89 HydrophobicContact CD1-CB 4.42Å; L78-V89 HydrophobicContact CD1-CG1 3.95Å; L78-K90 HydrophobicContact CD1-CB 4.09Å; L78-I104 HydrophobicContact CD1-CG2 3.69Å; L78-I104 HydrophobicContact CG-CG2 3.96Å; L78-L105 PolarHBondContact N-O 2.82Å; L78-L107 PolarHBondContact O-N 2.77Å
79S98.9Very high98.5Very high1 Ų142.1 Ų42.11%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-125.4130-177.2-75.30000113.2W53 V54 T55 G56 A57 L107W53-S79 PolarHBondContact NE1-OG 2.73Å; V54-S79 PolarHBondContact O-N 3.23Å; T55-S79 CarbonylContact C-O 3.52Å; T55-S79 WeakPolarHBondContact CA-O 3.38Å; G56-S79 PolarHBondContact N-O 3.48Å; A57-S79 PolarHBondContact N-O 3.1Å; A57-S79 VanDerWaalsContact N-O 3.13Å; S79-L107 VanDerWaalsContact CA-O 3.26Å; S79-L107 WeakPolarHBondContact CA-O 3.5Å; S79-L107 VanDerWaalsContact CB-O 3.31Å; S79-L107 WeakPolarHBondContact CB-O 3.4Å; S79-L107 PolarHBondContact OG-O 3.22Å
80A98.2Very high98.5Very high9 Ų943 Ų437%0.07419%0.191CC..  trans-165.4177.9169.700000108.1S58 L86 P108 L109S58-A80 WeakPolarHBondContact OG-CB 3.28Å; A80-L86 HydrophobicContact CB-CD1 4.24Å; A80-L86 HydrophobicContact CB-CD2 3.78Å; A80-L86 HydrophobicContact CB-CG 4.15Å; A80-P108 WeakPolarHBondContact O-CA 3.42Å; A80-L109 CarbonylContact C-O 3.49Å; A80-L109 VanDerWaalsContact C-O 3.23Å; A80-L109 PolarHBondContact O-N 3.23Å
81R97.1Very high98.5Very high153 Ų15347.6 Ų47.658%0.57721%0.212SC*.SBendtrans-73.1-32178.6-62.6174.5-64.3160.23.9113.9L109 D110R81-L109 PolarHBondContact N-O 2.87Å; R81-D110 HydrophobicContact CG-CB 4.05Å
82R97.3Very high98.5Very high99 Ų9945.6 Ų45.637%0.37420%0.204SC..  trans-96.498-172.1-68.7-170.1-57.1-122.81110.8D84 Q85 L86R82-D84 WeakPolarHBondContact CB-OD1 3.22Å; R82-D84 PolarHBondContact O-N 2.93Å; R82-Q85 HydrophobicContact CB-CB 4.12Å; R82-Q85 HydrophobicContact CB-CG 4.03Å; R82-Q85 PolarHBondContact O-N 3Å; R82-L86 WeakPolarHBondContact O-CG 3.45Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-L86 VanDerWaalsContact O-N 3.17Å
83E98.2Very high98.5Very high107 Ų10745.5 Ų45.550%0.520%0.203SC..Hα-helixtrans-63.6-37.5-177.1-174.7171.8-174.500113.3Q85 L86 N87 V106 P108E83-Q85 VanDerWaalsContact C-N 3.31Å; E83-Q85 PolarHBondContact O-N 3.3Å; E83-L86 PolarHBondContact O-N 2.82Å; E83-L86 VanDerWaalsContact O-N 3.16Å; E83-N87 PolarHBondContact O-N 3.34Å; E83-N87 PolarHBondContact O-ND2 2.79Å; E83-N87 VanDerWaalsContact O-ND2 3.14Å; E83-V106 HydrophobicContact CG-CG1 4.17Å; E83-P108 HydrophobicContact CB-CG 3.9Å; E83-P108 HydrophobicContact CG-CG 3.86Å
84D98.3Very high98.6Very high96 Ų9646.8 Ų46.851%0.51321%0.207SC..Hα-helixtrans-56.6-44.517565.1-56.9000111.8R82 N87 R88R82-D84 WeakPolarHBondContact CB-OD1 3.22Å; R82-D84 PolarHBondContact O-N 2.93Å; D84-N87 PolarHBondContact O-N 2.85Å; D84-R88 PolarHBondContact O-N 2.86Å
85Q98.4Very high98.5Very high53 Ų5353.1 Ų53.125%0.24824%0.237CC..Hα-helixtrans-70.3-35.6177.6-64.2-54.8-54.700112.1R82 E83 R88 V89R82-Q85 HydrophobicContact CB-CB 4.12Å; R82-Q85 HydrophobicContact CB-CG 4.03Å; R82-Q85 PolarHBondContact O-N 3Å; E83-Q85 VanDerWaalsContact C-N 3.31Å; E83-Q85 PolarHBondContact O-N 3.3Å; Q85-R88 WeakPolarHBondContact O-CB 3.25Å; Q85-R88 PolarHBondContact O-N 2.7Å; Q85-V89 WeakPolarHBondContact O-CG2 3.29Å; Q85-V89 PolarHBondContact O-N 2.71Å
86L98.8Very high98.5Very high0 Ų052.6 Ų52.60%024%0.238CC..Hα-helixtrans-65.4-40.8174.9-65.6171.1000111.4A57 L78 A80 R82 E83 V89 K90 V106A57-L86 HydrophobicContact CB-CD2 4.03Å; L78-L86 HydrophobicContact CB-CD2 4Å; A80-L86 HydrophobicContact CB-CD1 4.24Å; A80-L86 HydrophobicContact CB-CD2 3.78Å; A80-L86 HydrophobicContact CB-CG 4.15Å; R82-L86 WeakPolarHBondContact O-CG 3.45Å; R82-L86 PolarHBondContact O-N 3.45Å; R82-L86 VanDerWaalsContact O-N 3.17Å; E83-L86 PolarHBondContact O-N 2.82Å; E83-L86 VanDerWaalsContact O-N 3.16Å; L86-V89 PolarHBondContact O-N 2.84Å; L86-K90 WeakPolarHBondContact O-CB 3.29Å; L86-K90 PolarHBondContact O-N 3.02Å; L86-V106 HydrophobicContact CB-CG1 3.64Å; L86-V106 HydrophobicContact CB-CG2 4.26Å; L86-V106 HydrophobicContact CD1-CG1 4.02Å
87N98.8Very high98.5Very high62 Ų6254 Ų5433%0.33225%0.247SC..Hα-helixtrans-63.2-41.6174.7-79.6-51.7000111.5E83 D84 V89 K90 Q91E83-N87 PolarHBondContact O-N 3.34Å; E83-N87 PolarHBondContact O-ND2 2.79Å; E83-N87 VanDerWaalsContact O-ND2 3.14Å; D84-N87 PolarHBondContact O-N 2.85Å; N87-V89 VanDerWaalsContact C-N 3.33Å; N87-V89 PolarHBondContact O-N 2.82Å; N87-K90 PolarHBondContact O-N 2.88Å; N87-Q91 WeakPolarHBondContact O-CG 3.36Å; N87-Q91 PolarHBondContact O-N 2.85Å
88R98.7Very high98.3Very high100 Ų10058.7 Ų58.738%0.37728%0.281SS..Hα-helixtrans-55.8-47.4171.5180-174.463.775.9-0.7111.8S58 E63 Y67 D84 Q85 Q91 K92S58-R88 PolarHBondContact O-NH2 2.83Å; E63-R88 IonicContact OE1-CZ 2.97Å; E63-R88 IonicContact OE1-NH1 3.69Å; E63-R88 PolarHBondContact OE1-NH1 3.26Å; E63-R88 IonicContact OE1-NH2 2.88Å; E63-R88 PolarHBondContact OE1-NH2 3.1Å; E63-R88 IonicContact OE2-CZ 2.9Å; E63-R88 IonicContact OE2-NH1 3.51Å; E63-R88 IonicContact OE2-NH2 2.67Å; E63-R88 PolarHBondContact OE2-NH2 2.84Å; Y67-R88 PolarHBondContact OH-NH1 3.47Å; D84-R88 PolarHBondContact O-N 2.86Å; Q85-R88 WeakPolarHBondContact O-CB 3.25Å; Q85-R88 PolarHBondContact O-N 2.7Å; R88-Q91 PolarHBondContact O-N 3.26Å; R88-K92 PolarHBondContact O-N 3.06Å
89V98.8Very high98.3Very high0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-65-42.5178.5173.90000111.1E63 A66 Y67 L78 Q85 L86 N87 K92 C93E63-V89 HydrophobicContact CB-CG2 4.24Å; E63-V89 HydrophobicContact CG-CG1 4.47Å; E63-V89 HydrophobicContact CG-CG2 3.77Å; A66-V89 HydrophobicContact CB-CG1 3.68Å; Y67-V89 HydrophobicContact CD1-CG1 4.41Å; Y67-V89 HydrophobicContact CE1-CB 4.37Å; Y67-V89 HydrophobicContact CE1-CG1 3.77Å; L78-V89 HydrophobicContact CD1-CB 4.42Å; L78-V89 HydrophobicContact CD1-CG1 3.95Å; Q85-V89 WeakPolarHBondContact O-CG2 3.29Å; Q85-V89 PolarHBondContact O-N 2.71Å; L86-V89 PolarHBondContact O-N 2.84Å; N87-V89 VanDerWaalsContact C-N 3.33Å; N87-V89 PolarHBondContact O-N 2.82Å; V89-K92 PolarHBondContact O-N 3.24Å; V89-C93 PolarHBondContact O-N 2.88Å; V89-C93 PolarHBondContact O-SG 2.99Å
90K98.8Very high98.3Very high20 Ų2066 Ų669%0.08731%0.313CS..Hα-helixtrans-57.2-51.2174.3171167.8172.8170.80111.2L78 L86 N87 K92 C93 L94 D101 I104 V106L78-K90 HydrophobicContact CD1-CB 4.09Å; L86-K90 WeakPolarHBondContact O-CB 3.29Å; L86-K90 PolarHBondContact O-N 3.02Å; N87-K90 PolarHBondContact O-N 2.88Å; K90-K92 VanDerWaalsContact C-N 3.29Å; K90-K92 PolarHBondContact O-N 3.47Å; K90-C93 WeakPolarHBondContact O-CB 3.2Å; K90-C93 PolarHBondContact O-N 3.48Å; K90-C93 VanDerWaalsContact O-N 3.09Å; K90-L94 HydrophobicContact CG-CD1 4.16Å; K90-L94 HydrophobicContact CG-CG 4.5Å; K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.83Å; K90-D101 WeakPolarHBondContact CE-OD1 3.32Å; K90-D101 PolarHBondContact NZ-O 3.46Å; K90-D101 VanDerWaalsContact NZ-O 3.13Å; K90-D101 IonicContact NZ-OD1 2.79Å; K90-D101 PolarHBondContact NZ-OD1 3.35Å; K90-D101 IonicContact NZ-OD2 4Å; K90-D101 PolarHBondContact NZ-OD2 2.88Å; K90-I104 HydrophobicContact CB-CG2 4.02Å; K90-I104 HydrophobicContact CD-CB 4.07Å; K90-I104 HydrophobicContact CD-CG2 3.85Å; K90-I104 WeakPolarHBondContact CE-O 3.47Å; K90-I104 HydrophobicContact CG-CB 4.08Å; K90-I104 HydrophobicContact CG-CD1 4.43Å; K90-I104 HydrophobicContact CG-CG2 3.73Å; K90-I104 PolarHBondContact NZ-O 3.43Å; K90-V106 HydrophobicContact CB-CG2 3.89Å; K90-V106 HydrophobicContact CD-CG2 3.7Å; K90-V106 HydrophobicContact CG-CG2 4.4Å
91Q98.8Very high98.3Very high97 Ų9769.9 Ų69.945%0.45333%0.333SS..Hα-helixtrans-57-45.2178.5-68.8-52.5-41.100111.2N87 R88 C93 L94 E95N87-Q91 WeakPolarHBondContact O-CG 3.36Å; N87-Q91 PolarHBondContact O-N 2.85Å; R88-Q91 PolarHBondContact O-N 3.26Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 3.11Å; Q91-L94 PolarHBondContact O-N 3.4Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 2.87Å
92K98.8Very high98.3Very high86 Ų8669 Ų6937%0.37434%0.335SS..Hα-helixtrans-64.7-36.7177.8-171.756.6173.9-177.10113.1Y67 R88 V89 K90 E95 I96Y67-K92 HydrophobicContact CD1-CB 4.41Å; Y67-K92 HydrophobicContact CD1-CG 4.18Å; Y67-K92 HydrophobicContact CE1-CB 3.58Å; Y67-K92 HydrophobicContact CE1-CG 3.6Å; Y67-K92 HydrophobicContact CE2-CG 4.39Å; R88-K92 PolarHBondContact O-N 3.06Å; V89-K92 PolarHBondContact O-N 3.24Å; K90-K92 VanDerWaalsContact C-N 3.29Å; K90-K92 PolarHBondContact O-N 3.47Å; K92-E95 WeakPolarHBondContact CD-OE2 3.47Å; K92-E95 IonicContact NZ-OE2 3.65Å; K92-E95 PolarHBondContact NZ-OE2 2.91Å; K92-E95 PolarHBondContact O-N 3.16Å; K92-I96 HydrophobicContact CD-CG2 4.05Å; K92-I96 VanDerWaalsContact O-CG1 3.24Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 WeakPolarHBondContact O-CG2 3.21Å; K92-I96 PolarHBondContact O-N 2.65Å
93C98.8Very high98.4Very high0 Ų065.9 Ų65.90%033%0.326CS..Hα-helixtrans-61.5-43.4173.7-68.40000111.8A70 V89 K90 Q91 I96 S97 I104A70-C93 HydrophobicContact CB-CB 3.72Å; V89-C93 PolarHBondContact O-N 2.88Å; V89-C93 PolarHBondContact O-SG 2.99Å; K90-C93 WeakPolarHBondContact O-CB 3.2Å; K90-C93 PolarHBondContact O-N 3.48Å; K90-C93 VanDerWaalsContact O-N 3.09Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 3.11Å; C93-I96 PolarHBondContact O-N 3.49Å; C93-S97 WeakPolarHBondContact O-CB 3.49Å; C93-S97 PolarHBondContact O-N 3.06Å; C93-S97 PolarHBondContact O-OG 2.84Å; C93-I104 HydrophobicContact CB-CD1 3.47Å; C93-I104 VanDerWaalsContact CB-CD1 3.47Å
94L98.8Very high98.4Very high38 Ų3861 Ų6120%0.19930%0.303CS..Hα-helixtrans-64.5-41177.4-64.3173.3000111.5K90 Q91 I96 L99 K100 I104K90-L94 HydrophobicContact CG-CD1 4.16Å; K90-L94 HydrophobicContact CG-CG 4.5Å; K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.83Å; Q91-L94 PolarHBondContact O-N 3.4Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.43Å; L94-L99 HydrophobicContact CD2-CB 4.35Å; L94-L99 WeakPolarHBondContact CD2-O 3.37Å; L94-K100 VanDerWaalsContact CD2-C 3.46Å; L94-K100 WeakPolarHBondContact CD2-O 3.41Å; L94-I104 HydrophobicContact CD2-CD1 3.84Å; L94-I104 HydrophobicContact CD2-CG1 4.41Å; L94-I104 HydrophobicContact CG-CD1 4.1Å
95E98.6Very high98.4Very high133 Ų13357.9 Ų57.962%0.62129%0.286SS*.Hα-helixtrans-62-36.1177.4-73.3172.5-166.500113.8Q91 K92Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 2.87Å; K92-E95 WeakPolarHBondContact CD-OE2 3.47Å; K92-E95 IonicContact NZ-OE2 3.65Å; K92-E95 PolarHBondContact NZ-OE2 2.91Å; K92-E95 PolarHBondContact O-N 3.16Å
96I98.4Very high98.5Very high50 Ų5056.5 Ų56.526%0.25628%0.281SS..THydrogen-bonded Turntrans-101.93.5-169.872.2-169.8000113.8Y67 K71 K92 C93 L94Y67-I96 HydrophobicContact CD1-CD1 4Å; Y67-I96 HydrophobicContact CG-CD1 4.01Å; K71-I96 HydrophobicContact CG-CG1 4.25Å; K92-I96 HydrophobicContact CD-CG2 4.05Å; K92-I96 VanDerWaalsContact O-CG1 3.24Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 WeakPolarHBondContact O-CG2 3.21Å; K92-I96 PolarHBondContact O-N 2.65Å; C93-I96 PolarHBondContact O-N 3.49Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.43Å
97S98.1Very high98.5Very high29 Ų2957 Ų5720%0.20328%0.284CS..SBendtrans-138.9177.7-174.974.80000112.3A70 C93 L99A70-S97 WeakPolarHBondContact O-CB 3.37Å; C93-S97 WeakPolarHBondContact O-CB 3.49Å; C93-S97 PolarHBondContact O-N 3.06Å; C93-S97 PolarHBondContact O-OG 2.84Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 WeakPolarHBondContact OG-CB 3.49Å; S97-L99 WeakPolarHBondContact OG-CG 3.34Å; S97-L99 PolarHBondContact OG-N 2.93Å
98S95.9Very high98.5Very high100 Ų10056 Ų5670%0.69928%0.281SS*.SBendtrans-93.111.6173.966.20000113.1
99L98.3Very high98.5Very high19 Ų1951.8 Ų51.810%0.09927%0.266CS..  trans-73.7151.4-179.2-64.9-178.2000111.2A70 S74 L94 S97 D103 I104A70-L99 HydrophobicContact CB-CD1 3.85Å; S74-L99 VanDerWaalsContact O-CD1 3.23Å; S74-L99 WeakPolarHBondContact O-CD1 3.02Å; L94-L99 HydrophobicContact CD2-CB 4.35Å; L94-L99 WeakPolarHBondContact CD2-O 3.37Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 WeakPolarHBondContact OG-CB 3.49Å; S97-L99 WeakPolarHBondContact OG-CG 3.34Å; S97-L99 PolarHBondContact OG-N 2.93Å; L99-D103 HydrophobicContact CB-CB 4.07Å; L99-D103 HydrophobicContact CD2-CB 3.94Å; L99-D103 HydrophobicContact CG-CB 4.41Å; L99-I104 HydrophobicContact CD1-CD1 4Å; L99-I104 HydrophobicContact CD1-CG1 4.06Å
100K98.3Very high98.4Very high134 Ų13454.5 Ų54.558%0.58328%0.28SS*.  trans-99.9168.3172.7-61.5178.4-174.1174.80110.6L94 E102 D103L94-K100 VanDerWaalsContact CD2-C 3.46Å; L94-K100 WeakPolarHBondContact CD2-O 3.41Å; K100-E102 HydrophobicContact CB-CG 4.02Å; K100-E102 PolarHBondContact O-N 2.89Å; K100-D103 PolarHBondContact N-OD2 3.09Å; K100-D103 WeakPolarHBondContact O-CB 3.21Å; K100-D103 PolarHBondContact O-N 3.11Å
101D98.1Very high98.4Very high92 Ų9254.1 Ų54.149%0.49228%0.279SS..G310 helixtrans-56.1-38.6179.9-165.279.2000112.8K90 D103 I104K90-D101 WeakPolarHBondContact CE-OD1 3.32Å; K90-D101 PolarHBondContact NZ-O 3.46Å; K90-D101 VanDerWaalsContact NZ-O 3.13Å; K90-D101 IonicContact NZ-OD1 2.79Å; K90-D101 PolarHBondContact NZ-OD1 3.35Å; K90-D101 IonicContact NZ-OD2 4Å; K90-D101 PolarHBondContact NZ-OD2 2.88Å; D101-D103 VanDerWaalsContact C-N 3.25Å; D101-D103 PolarHBondContact O-N 3.26Å; D101-I104 PolarHBondContact O-N 2.98Å
102E97.9Very high98.4Very high135 Ų13553.3 Ų53.363%0.63128%0.278SS*.G310 helixtrans-66.2-21177.164.9-169.9-172.100114.1K100 I104 F128K100-E102 HydrophobicContact CB-CG 4.02Å; K100-E102 PolarHBondContact O-N 2.89Å; E102-I104 VanDerWaalsContact C-N 3.27Å; E102-I104 PolarHBondContact O-N 3.5Å; E102-F128 WeakPolarHBondContact O-CE1 3.46Å
103D98.7Very high98.3Very high33 Ų3353.2 Ų53.218%0.17628%0.281CS..G310 helixtrans-79.8-10.1178.1-66.6-51.4000112.5R75 L76 L99 K100 D101R75-D103 CarbonylContact C-O 3.56Å; R75-D103 VanDerWaalsContact CA-O 3.29Å; R75-D103 WeakPolarHBondContact CA-O 3.35Å; R75-D103 HydrophobicContact CG-CB 4Å; R75-D103 WeakPolarHBondContact CG-OD1 3.38Å; L76-D103 PolarHBondContact N-O 3.08Å; L99-D103 HydrophobicContact CB-CB 4.07Å; L99-D103 HydrophobicContact CD2-CB 3.94Å; L99-D103 HydrophobicContact CG-CB 4.41Å; K100-D103 PolarHBondContact N-OD2 3.09Å; K100-D103 WeakPolarHBondContact O-CB 3.21Å; K100-D103 PolarHBondContact O-N 3.11Å; D101-D103 VanDerWaalsContact C-N 3.25Å; D101-D103 PolarHBondContact O-N 3.26Å
104I98.8Very high98.3Very high3 Ų357.5 Ų57.52%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-128.2108.5-177.3-50.7-176.9000110.6L76 L78 K90 C93 L94 L99 D101 E102L76-I104 HydrophobicContact CB-CG1 4.32Å; L76-I104 HydrophobicContact CB-CG2 4.13Å; L76-I104 HydrophobicContact CD1-CD1 4.43Å; L76-I104 CarbonylContact O-C 3.58Å; L76-I104 WeakPolarHBondContact O-CA 3.31Å; L78-I104 HydrophobicContact CD1-CG2 3.69Å; L78-I104 HydrophobicContact CG-CG2 3.96Å; K90-I104 HydrophobicContact CB-CG2 4.02Å; K90-I104 HydrophobicContact CD-CB 4.07Å; K90-I104 HydrophobicContact CD-CG2 3.85Å; K90-I104 WeakPolarHBondContact CE-O 3.47Å; K90-I104 HydrophobicContact CG-CB 4.08Å; K90-I104 HydrophobicContact CG-CD1 4.43Å; K90-I104 HydrophobicContact CG-CG2 3.73Å; K90-I104 PolarHBondContact NZ-O 3.43Å; C93-I104 HydrophobicContact CB-CD1 3.47Å; C93-I104 VanDerWaalsContact CB-CD1 3.47Å; L94-I104 HydrophobicContact CD2-CD1 3.84Å; L94-I104 HydrophobicContact CD2-CG1 4.41Å; L94-I104 HydrophobicContact CG-CD1 4.1Å; L99-I104 HydrophobicContact CD1-CD1 4Å; L99-I104 HydrophobicContact CD1-CG1 4.06Å; D101-I104 PolarHBondContact O-N 2.98Å; E102-I104 VanDerWaalsContact C-N 3.27Å; E102-I104 PolarHBondContact O-N 3.5Å
105L98.9Very high98.3Very high31 Ų3165 Ų6516%0.16233%0.329CS..EExtended strand (participates in β ladder)trans-91119.7172.3-179.362.6000110.2L76 V77 L78 L107 V124 N127 F128L76-L105 PolarHBondContact O-N 2.9Å; V77-L105 CarbonylContact C-O 3.23Å; V77-L105 WeakPolarHBondContact CA-O 3.4Å; V77-L105 HydrophobicContact CG1-CD2 4.29Å; V77-L105 HydrophobicContact CG2-CB 4.43Å; V77-L105 HydrophobicContact CG2-CD2 4.43Å; L78-L105 PolarHBondContact N-O 2.82Å; L105-L107 HydrophobicContact CG-CB 4.33Å; L105-V124 HydrophobicContact CD2-CG2 4.32Å; L105-N127 HydrophobicContact CD2-CB 4.1Å; L105-F128 HydrophobicContact CB-CE2 3.61Å; L105-F128 HydrophobicContact CB-CZ 3.99Å; L105-F128 HydrophobicContact CD2-CE2 4.28Å
106V98.9Very high98.2Very high24 Ų2459.5 Ų59.515%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-84.8120.1165.4170.10000107.7E83 L86 K90E83-V106 HydrophobicContact CG-CG1 4.17Å; L86-V106 HydrophobicContact CB-CG1 3.64Å; L86-V106 HydrophobicContact CB-CG2 4.26Å; L86-V106 HydrophobicContact CD1-CG1 4.02Å; K90-V106 HydrophobicContact CB-CG2 3.89Å; K90-V106 HydrophobicContact CD-CG2 3.7Å; K90-V106 HydrophobicContact CG-CG2 4.4Å
107L98.8Very high98.3Very high10 Ų1057.1 Ų57.15%0.05229%0.292CS..  trans-132.793.2-176-175.464000110W53 V77 L78 S79 L105 L109 K120 T123 V124W53-L107 HydrophobicContact CH2-CD2 4.39Å; W53-L107 HydrophobicContact CZ2-CD2 3.79Å; V77-L107 HydrophobicContact CG1-CB 3.86Å; V77-L107 HydrophobicContact CG1-CD2 3.94Å; L78-L107 PolarHBondContact O-N 2.77Å; S79-L107 VanDerWaalsContact CA-O 3.26Å; S79-L107 WeakPolarHBondContact CA-O 3.5Å; S79-L107 VanDerWaalsContact CB-O 3.31Å; S79-L107 WeakPolarHBondContact CB-O 3.4Å; S79-L107 PolarHBondContact OG-O 3.22Å; L105-L107 HydrophobicContact CG-CB 4.33Å; L107-L109 PolarHBondContact O-N 3.5Å; L107-K120 HydrophobicContact CD1-CD 3.6Å; L107-K120 HydrophobicContact CD2-CB 4.13Å; L107-K120 HydrophobicContact CD2-CD 4.25Å; L107-K120 HydrophobicContact CG-CD 3.89Å; L107-T123 HydrophobicContact CD1-CG2 4.15Å; L107-V124 HydrophobicContact CD2-CG2 3.5Å
108P98.6Very high98.3Very high43 Ų4361.8 Ų61.828%0.27931%0.311SS..  trans-54.7130.8175.4-26.536.1000111.4A80 E83 K120A80-P108 WeakPolarHBondContact O-CA 3.42Å; E83-P108 HydrophobicContact CB-CG 3.9Å; E83-P108 HydrophobicContact CG-CG 3.86Å; P108-K120 WeakPolarHBondContact O-CE 3.33Å
109L98.5Very high98.4Very high10 Ų1060.5 Ų60.55%0.05229%0.294CS..  trans-146.8126-175.9179.373.5000109.2W53 T55 A80 R81 L107 L111 K120 L168W53-L109 HydrophobicContact CZ2-CD2 4.3Å; T55-L109 HydrophobicContact CG2-CD2 4.11Å; A80-L109 CarbonylContact C-O 3.49Å; A80-L109 VanDerWaalsContact C-O 3.23Å; A80-L109 PolarHBondContact O-N 3.23Å; R81-L109 PolarHBondContact N-O 2.87Å; L107-L109 PolarHBondContact O-N 3.5Å; L109-L111 HydrophobicContact CD2-CD2 4.18Å; L109-K120 HydrophobicContact CD1-CB 4.16Å; L109-K120 HydrophobicContact CD1-CG 3.8Å; L109-L168 HydrophobicContact CD2-CD1 4.42Å; L109-L168 HydrophobicContact CD2-CD2 3.98Å
110D98.3Very high98.4Very high57 Ų5761.7 Ų61.731%0.30530%0.298SS..  trans-101.9119.4163.9-165.1-20.4000109.3R81 L112 D113 H117R81-D110 HydrophobicContact CG-CB 4.05Å; D110-L112 PolarHBondContact O-N 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.33Å; D110-L112 PolarHBondContact OD1-N 3.28Å; D110-D113 HydrophobicContact CB-CB 4.28Å; D110-D113 PolarHBondContact O-N 2.9Å; D110-H117 PolarHBondContact O-NE2 3.2Å
111L98.2Very high98.4Very high12 Ų1255.4 Ų55.46%0.06327%0.271CS..THydrogen-bonded Turntrans-65.1-17.6178.6-72.5173.4000113L109 L160 G164 L168L109-L111 HydrophobicContact CD2-CD2 4.18Å; L111-L160 HydrophobicContact CB-CD1 3.93Å; L111-L160 HydrophobicContact CD1-CD1 4.28Å; L111-G164 WeakPolarHBondContact O-CA 3.24Å; L111-L168 HydrophobicContact CD2-CD2 4.35Å
112L98.1Very high98.5Very high81 Ų8157.3 Ų57.342%0.42427%0.271SS..THydrogen-bonded Turntrans-80.2-25.6173.3-63178.3000112.2D110 R114 E159 L160D110-L112 PolarHBondContact O-N 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.33Å; D110-L112 PolarHBondContact OD1-N 3.28Å; L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.29Å; L112-R114 VanDerWaalsContact O-N 3.07Å; L112-E159 HydrophobicContact CD2-CB 3.78Å; L112-L160 HydrophobicContact CD2-CB 4.04Å; L112-L160 HydrophobicContact CD2-CD1 4.49Å; L112-L160 HydrophobicContact CG-CD1 4.35Å
113D98.1Very high98.5Very high83 Ų8352.6 Ų52.644%0.44425%0.252SS..  trans-87.569.4176.2-176.318.1000111.6D110 K115 S116 H117D110-D113 HydrophobicContact CB-CB 4.28Å; D110-D113 PolarHBondContact O-N 2.9Å; D113-K115 PolarHBondContact O-N 3.1Å; D113-K115 VanDerWaalsContact O-N 3.1Å; D113-S116 WeakPolarHBondContact O-CB 3.36Å; D113-S116 PolarHBondContact O-N 3.4Å; D113-S116 PolarHBondContact O-OG 3.35Å; D113-S116 WeakPolarHBondContact OD2-CB 3.39Å; D113-H117 PolarHBondContact O-CD2 2.84Å; D113-H117 VanDerWaalsContact O-CD2 3.27Å
114R98.1Very high98.5Very high90 Ų9051 Ų5134%0.3424%0.243SC..G310 helixtrans-58.9-25.9-176.5-67179.7-73.8-92.312.9114.3L112 S116 H117 E159L112-R114 VanDerWaalsContact C-N 3.29Å; L112-R114 PolarHBondContact O-N 3.29Å; L112-R114 VanDerWaalsContact O-N 3.07Å; R114-S116 PolarHBondContact O-N 3.09Å; R114-H117 WeakPolarHBondContact O-CB 3.42Å; R114-H117 PolarHBondContact O-N 3.22Å; R114-E159 IonicContact CZ-OE2 2.95Å; R114-E159 IonicContact NH1-OE2 2.66Å; R114-E159 PolarHBondContact NH1-OE2 3.36Å; R114-E159 IonicContact NH2-OE2 3.27Å; R114-E159 PolarHBondContact NH2-OE2 3.21Å
115K98Very high98.5Very high197 Ų19752.7 Ų52.786%0.85725%0.252SS*.G310 helixtrans-66.1-26.4178.5-65.1-178.1-178.4178.30111.7D113D113-K115 PolarHBondContact O-N 3.1Å; D113-K115 VanDerWaalsContact O-N 3.1Å
116S98.2Very high98.5Very high16 Ų1657.9 Ų57.911%0.11228%0.275CS..G310 helixtrans-78.2-20176.373.70000113.7D113 R114 E118 E119 K120D113-S116 WeakPolarHBondContact O-CB 3.36Å; D113-S116 PolarHBondContact O-N 3.4Å; D113-S116 PolarHBondContact O-OG 3.35Å; D113-S116 WeakPolarHBondContact OD2-CB 3.39Å; R114-S116 PolarHBondContact O-N 3.09Å; S116-E118 VanDerWaalsContact C-N 3.3Å; S116-E118 PolarHBondContact O-N 3.5Å; S116-E119 PolarHBondContact O-N 3.36Å; S116-E119 VanDerWaalsContact O-N 3.1Å; S116-K120 VanDerWaalsContact O-CG 3.28Å; S116-K120 WeakPolarHBondContact O-CG 3.41Å; S116-K120 PolarHBondContact O-N 3.28Å
117H98.7Very high98.5Very high0 Ų060.7 Ų60.70%029%0.29CS..Hα-helixtrans-61.6-36-167.4-68.7-165.7000113.5D110 D113 R114 T121 G164 S167 L168 Q171D110-H117 PolarHBondContact O-NE2 3.2Å; D113-H117 PolarHBondContact O-CD2 2.84Å; D113-H117 VanDerWaalsContact O-CD2 3.27Å; R114-H117 WeakPolarHBondContact O-CB 3.42Å; R114-H117 PolarHBondContact O-N 3.22Å; H117-T121 WeakPolarHBondContact O-CB 3.49Å; H117-T121 PolarHBondContact O-N 3.43Å; H117-T121 PolarHBondContact O-OG1 2.84Å; H117-G164 PolarHBondContact CE1-O 2.89Å; H117-G164 VanDerWaalsContact CE1-O 3.31Å; H117-S167 WeakPolarHBondContact ND1-CB 3.48Å; H117-S167 PolarHBondContact ND1-OG 3.2Å; H117-L168 HydrophobicContact CB-CD1 4.23Å; H117-L168 PolarHBondContact ND1-N 3.32Å; H117-L168 VanDerWaalsContact ND1-N 3.18Å; H117-Q171 HydrophobicContact CB-CG 3.85Å
118E98.6Very high98.5Very high128 Ų12861 Ų6160%0.59829%0.291SS*.Hα-helixtrans-65.4-48.8176.4-176.9-179.1-179.300110.6S116 K120 T121 R122 Q171S116-E118 VanDerWaalsContact C-N 3.3Å; S116-E118 PolarHBondContact O-N 3.5Å; E118-K120 PolarHBondContact O-N 3.47Å; E118-T121 PolarHBondContact O-N 2.9Å; E118-R122 PolarHBondContact O-N 3.32Å; E118-Q171 HydrophobicContact CB-CG 4.45Å
119E98.6Very high98.4Very high73 Ų7361.6 Ų61.634%0.34130%0.304SS..Hα-helixtrans-59.4-47176.9180-94.5169.500111.4S116 T121 R122 T123S116-E119 PolarHBondContact O-N 3.36Å; S116-E119 VanDerWaalsContact O-N 3.1Å; E119-T121 VanDerWaalsContact C-N 3.33Å; E119-T121 PolarHBondContact O-N 3.5Å; E119-R122 WeakPolarHBondContact O-CB 3.28Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 VanDerWaalsContact O-N 3.16Å; E119-T123 PolarHBondContact O-N 2.97Å; E119-T123 PolarHBondContact O-OG1 2.91Å
120K98.7Very high98.4Very high43 Ų4363.5 Ų63.519%0.18731%0.312CS..Hα-helixtrans-61.6-40.7177.8-63.3-65.6171.6-131.40112.2W53 L107 P108 L109 S116 E118 T123 V124W53-K120 HydrophobicContact CH2-CB 4.18Å; W53-K120 HydrophobicContact CZ2-CB 4.37Å; L107-K120 HydrophobicContact CD1-CD 3.6Å; L107-K120 HydrophobicContact CD2-CB 4.13Å; L107-K120 HydrophobicContact CD2-CD 4.25Å; L107-K120 HydrophobicContact CG-CD 3.89Å; P108-K120 WeakPolarHBondContact O-CE 3.33Å; L109-K120 HydrophobicContact CD1-CB 4.16Å; L109-K120 HydrophobicContact CD1-CG 3.8Å; S116-K120 VanDerWaalsContact O-CG 3.28Å; S116-K120 WeakPolarHBondContact O-CG 3.41Å; S116-K120 PolarHBondContact O-N 3.28Å; E118-K120 PolarHBondContact O-N 3.47Å; K120-T123 PolarHBondContact O-N 3.41Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 3.04Å
121T98.8Very high98.4Very high2 Ų261 Ų611%0.01230%0.299CS..Hα-helixtrans-63.4-45175.5-58.80000110.6W53 H117 E118 E119 T123 V124 I125 I131 Q171 V172W53-T121 HydrophobicContact CZ3-CG2 4.38Å; H117-T121 WeakPolarHBondContact O-CB 3.49Å; H117-T121 PolarHBondContact O-N 3.43Å; H117-T121 PolarHBondContact O-OG1 2.84Å; E118-T121 PolarHBondContact O-N 2.9Å; E119-T121 VanDerWaalsContact C-N 3.33Å; E119-T121 PolarHBondContact O-N 3.5Å; T121-T123 VanDerWaalsContact C-N 3.35Å; T121-T123 PolarHBondContact O-N 2.88Å; T121-V124 PolarHBondContact O-N 3.01Å; T121-I125 WeakPolarHBondContact O-CG1 3.28Å; T121-I125 PolarHBondContact O-N 3.18Å; T121-I125 VanDerWaalsContact O-N 3.08Å; T121-I131 HydrophobicContact CG2-CD1 4.13Å; T121-Q171 HydrophobicContact CG2-CB 4.29Å; T121-Q171 WeakPolarHBondContact OG1-CB 3.26Å; T121-V172 HydrophobicContact CG2-CG2 4.01Å
122R98.6Very high98.5Very high132 Ų13261.2 Ų61.250%0.49830%0.301SS..Hα-helixtrans-58.4-44.7175.6-174.2-17963.9-145-5.6111.8E118 E119 V124 I125 E126E118-R122 PolarHBondContact O-N 3.32Å; E119-R122 WeakPolarHBondContact O-CB 3.28Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 VanDerWaalsContact O-N 3.16Å; R122-V124 VanDerWaalsContact C-N 3.28Å; R122-V124 PolarHBondContact O-N 3.49Å; R122-I125 PolarHBondContact O-N 2.94Å; R122-I125 VanDerWaalsContact O-N 3.1Å; R122-E126 WeakPolarHBondContact CD-OE1 3.48Å; R122-E126 HydrophobicContact CG-CG 4.22Å; R122-E126 VanDerWaalsContact CG-OE1 3.29Å; R122-E126 WeakPolarHBondContact CG-OE1 3.48Å; R122-E126 IonicContact NE-OE1 3.32Å; R122-E126 WeakPolarHBondContact O-CG 3.49Å; R122-E126 PolarHBondContact O-N 3.22Å
123T98.8Very high98.5Very high36 Ų3657.7 Ų57.722%0.22128%0.282CS..Hα-helixtrans-55.7-42.6176.3-51.40000112.1L107 E119 K120 T121 E126 N127L107-T123 HydrophobicContact CD1-CG2 4.15Å; E119-T123 PolarHBondContact O-N 2.97Å; E119-T123 PolarHBondContact O-OG1 2.91Å; K120-T123 PolarHBondContact O-N 3.41Å; T121-T123 VanDerWaalsContact C-N 3.35Å; T121-T123 PolarHBondContact O-N 2.88Å; T123-E126 PolarHBondContact O-N 3.16Å; T123-N127 WeakPolarHBondContact O-CB 3.29Å; T123-N127 PolarHBondContact O-N 3.03Å
124V98.8Very high98.6Very high0 Ų053.7 Ų53.70%026%0.261CS..Hα-helixtrans-64.8-43.2177.7176.20000111.5W53 V77 L105 L107 K120 T121 R122 N127 F128 I131W53-V124 HydrophobicContact CD2-CG2 4.15Å; W53-V124 HydrophobicContact CE3-CG2 4.01Å; W53-V124 HydrophobicContact CH2-CG2 4.02Å; W53-V124 HydrophobicContact CZ2-CG2 4.16Å; W53-V124 HydrophobicContact CZ3-CB 4.45Å; W53-V124 HydrophobicContact CZ3-CG2 3.95Å; V77-V124 HydrophobicContact CB-CG2 4.38Å; V77-V124 HydrophobicContact CG1-CG2 3.73Å; V77-V124 HydrophobicContact CG2-CB 4.37Å; V77-V124 HydrophobicContact CG2-CG1 3.58Å; V77-V124 HydrophobicContact CG2-CG2 3.88Å; L105-V124 HydrophobicContact CD2-CG2 4.32Å; L107-V124 HydrophobicContact CD2-CG2 3.5Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 3.04Å; T121-V124 PolarHBondContact O-N 3.01Å; R122-V124 VanDerWaalsContact C-N 3.28Å; R122-V124 PolarHBondContact O-N 3.49Å; V124-N127 PolarHBondContact O-N 3.36Å; V124-F128 HydrophobicContact CG1-CD2 4.32Å; V124-F128 PolarHBondContact O-N 3.42Å; V124-I131 HydrophobicContact CB-CD1 4.26Å; V124-I131 HydrophobicContact CB-CG1 4.35Å; V124-I131 HydrophobicContact CG1-CD1 3.87Å; V124-I131 HydrophobicContact CG1-CG1 3.45Å; V124-I131 VanDerWaalsContact CG1-CG1 3.45Å
125I98.6Very high98.6Very high38 Ų3849.5 Ų49.520%0.19525%0.245CC..Hα-helixtrans-66.4-40.2178.4-61.5-62.3000111.1T121 R122 N127 G129 I131 H175T121-I125 WeakPolarHBondContact O-CG1 3.28Å; T121-I125 PolarHBondContact O-N 3.18Å; T121-I125 VanDerWaalsContact O-N 3.08Å; R122-I125 PolarHBondContact O-N 2.94Å; R122-I125 VanDerWaalsContact O-N 3.1Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.1Å; I125-G129 CarbonylContact O-C 3.54Å; I125-G129 WeakPolarHBondContact O-CA 3.37Å; I125-G129 PolarHBondContact O-N 3.42Å; I125-I131 HydrophobicContact CD1-CD1 3.91Å; I125-I131 HydrophobicContact CD1-CG1 3.92Å; I125-I131 HydrophobicContact CG1-CD1 4.42Å; I125-H175 HydrophobicContact CD1-CB 4.46Å
126E98.4Very high98.6Very high140 Ų14040.2 Ų40.265%0.65421%0.205SC*.Hα-helixtrans-63.4-38.8174.8-72.9168.7176.700111.6R122 T123R122-E126 WeakPolarHBondContact CD-OE1 3.48Å; R122-E126 HydrophobicContact CG-CG 4.22Å; R122-E126 VanDerWaalsContact CG-OE1 3.29Å; R122-E126 WeakPolarHBondContact CG-OE1 3.48Å; R122-E126 IonicContact NE-OE1 3.32Å; R122-E126 WeakPolarHBondContact O-CG 3.49Å; R122-E126 PolarHBondContact O-N 3.22Å; T123-E126 PolarHBondContact O-N 3.16Å
127N98.5Very high98.7Very high84 Ų8440.7 Ų40.745%0.44921%0.206SC..Hα-helixtrans-75.9-42.8-178.1-166.885.1000113.5L105 T123 V124 I125L105-N127 HydrophobicContact CD2-CB 4.1Å; T123-N127 WeakPolarHBondContact O-CB 3.29Å; T123-N127 PolarHBondContact O-N 3.03Å; V124-N127 PolarHBondContact O-N 3.36Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.1Å
128F98.5Very high98.5Very high17 Ų1741.1 Ų41.18%0.07521%0.21CC..Hα-helixtrans-115.6-7-171.8-67.9-64.1000114.9V51 R75 V77 E102 L105 V124 H130V51-F128 HydrophobicContact CB-CB 4.49Å; V51-F128 HydrophobicContact CG1-CB 3.86Å; V51-F128 HydrophobicContact CG1-CD2 3.78Å; V51-F128 HydrophobicContact CG1-CE2 4.48Å; V51-F128 HydrophobicContact CG1-CG 3.87Å; V51-F128 HydrophobicContact CG2-CB 3.81Å; V51-F128 HydrophobicContact CG2-CG 4.23Å; R75-F128 HydrophobicContact CB-CD1 4.48Å; R75-F128 HydrophobicContact CB-CE1 4.11Å; V77-F128 HydrophobicContact CG2-CD2 3.92Å; V77-F128 HydrophobicContact CG2-CE2 3.66Å; E102-F128 WeakPolarHBondContact O-CE1 3.46Å; L105-F128 HydrophobicContact CB-CE2 3.61Å; L105-F128 HydrophobicContact CB-CZ 3.99Å; L105-F128 HydrophobicContact CD2-CE2 4.28Å; V124-F128 HydrophobicContact CG1-CD2 4.32Å; V124-F128 PolarHBondContact O-N 3.42Å; F128-H130 PolarHBondContact O-N 3.45Å; F128-H130 PolarHBondContact O-ND1 3.08Å
129G98.1Very high98.3Very high54 Ų5436.8 Ų36.856%0.55720%0.2SC*.SBendtrans79.7-19.9-175.800000114.6I125I125-G129 CarbonylContact O-C 3.54Å; I125-G129 WeakPolarHBondContact O-CA 3.37Å; I125-G129 PolarHBondContact O-N 3.42Å
130H98.3Very high98.1Very high50 Ų5036.2 Ų36.223%0.23120%0.195CC..  trans-166.6170.1-176.355.1-88.2000112.8V51 R75 F128 D132 R179V51-H130 WeakPolarHBondContact CG1-O 3.44Å; R75-H130 PolarHBondContact NH2-NE2 3.33Å; F128-H130 PolarHBondContact O-N 3.45Å; F128-H130 PolarHBondContact O-ND1 3.08Å; H130-D132 IonicContact CD2-OD1 3.48Å; H130-D132 PolarHBondContact CD2-OD1 3.2Å; H130-D132 IonicContact CD2-OD2 3.32Å; H130-D132 PolarHBondContact CD2-OD2 2.84Å; H130-D132 IonicContact NE2-OD1 2.87Å; H130-D132 IonicContact NE2-OD2 3.9Å; H130-D132 PolarHBondContact NE2-OD2 3.2Å; H130-R179 PolarHBondContact CD2-NH1 3.07Å
131I98.8Very high97.9Very high5 Ų535 Ų353%0.02619%0.192CC..  trans-123.1118.3169.9-61.4157.7000108W53 T121 V124 I125 V172 M176 R179W53-I131 HydrophobicContact CB-CG2 4.41Å; W53-I131 HydrophobicContact CE3-CD1 3.71Å; W53-I131 HydrophobicContact CE3-CG1 4.44Å; W53-I131 HydrophobicContact CZ3-CD1 3.93Å; T121-I131 HydrophobicContact CG2-CD1 4.13Å; V124-I131 HydrophobicContact CB-CD1 4.26Å; V124-I131 HydrophobicContact CB-CG1 4.35Å; V124-I131 HydrophobicContact CG1-CD1 3.87Å; V124-I131 HydrophobicContact CG1-CG1 3.45Å; V124-I131 VanDerWaalsContact CG1-CG1 3.45Å; I125-I131 HydrophobicContact CD1-CD1 3.91Å; I125-I131 HydrophobicContact CD1-CG1 3.92Å; I125-I131 HydrophobicContact CG1-CD1 4.42Å; I131-V172 HydrophobicContact CB-CG1 4.3Å; I131-V172 HydrophobicContact CD1-CG1 3.96Å; I131-V172 HydrophobicContact CD1-CG2 3.97Å; I131-V172 HydrophobicContact CG2-CG1 4.09Å; I131-M176 HydrophobicContact CG2-CE 4.02Å; I131-R179 PolarHBondContact O-NH2 3.18Å
132D98.9Very high97.7Very high17 Ų1735 Ų359%0.09119%0.192CC..SBendtrans-84.8-43.1177.1-66.3-50.3000112.6L50 V51 H130 R179 G182 S183L50-D132 VanDerWaalsContact CA-OD2 3.32Å; L50-D132 WeakPolarHBondContact CA-OD2 3.22Å; L50-D132 HydrophobicContact CB-CB 3.97Å; L50-D132 HydrophobicContact CD1-CB 4.41Å; L50-D132 HydrophobicContact CD2-CB 4.2Å; L50-D132 HydrophobicContact CG-CB 4.42Å; V51-D132 PolarHBondContact N-OD2 2.83Å; V51-D132 WeakPolarHBondContact O-CB 3.36Å; V51-D132 PolarHBondContact O-N 2.76Å; H130-D132 IonicContact CD2-OD1 3.48Å; H130-D132 PolarHBondContact CD2-OD1 3.2Å; H130-D132 IonicContact CD2-OD2 3.32Å; H130-D132 PolarHBondContact CD2-OD2 2.84Å; H130-D132 IonicContact NE2-OD1 2.87Å; H130-D132 IonicContact NE2-OD2 3.9Å; H130-D132 PolarHBondContact NE2-OD2 3.2Å; D132-R179 IonicContact OD1-CZ 3.25Å; D132-R179 VanDerWaalsContact OD1-CZ 3.25Å; D132-R179 IonicContact OD1-NH1 2.7Å; D132-R179 PolarHBondContact OD1-NH1 3.45Å; D132-R179 IonicContact OD1-NH2 2.91Å; D132-R179 PolarHBondContact OD1-NH2 2.81Å; D132-G182 CarbonylContact O-C 3.6Å; D132-G182 WeakPolarHBondContact O-CA 3.43Å; D132-S183 PolarHBondContact O-N 2.99Å
133V98.9Very high97.4Very high6 Ų629.7 Ų29.74%0.03617%0.172CC..EExtended strand (participates in β ladder)trans-134.2122.9-178-171.90000109.5L50 V51 V52 W53 I135 S183 V185 I276L50-V133 HydrophobicContact CD1-CG2 4.31Å; V51-V133 PolarHBondContact O-N 2.87Å; V51-V133 VanDerWaalsContact O-N 3.1Å; V52-V133 CarbonylContact C-O 3.59Å; V52-V133 WeakPolarHBondContact CA-O 3.41Å; V52-V133 HydrophobicContact CB-CB 4.41Å; V52-V133 HydrophobicContact CG1-CB 4.04Å; V52-V133 HydrophobicContact CG1-CG1 4.31Å; V52-V133 HydrophobicContact CG2-CB 4.08Å; V52-V133 HydrophobicContact CG2-CG2 4.22Å; W53-V133 PolarHBondContact N-O 2.79Å; V133-I135 HydrophobicContact CG1-CD1 4.38Å; V133-I135 HydrophobicContact CG1-CG1 3.82Å; V133-S183 CarbonylContact C-O 3.55Å; V133-S183 VanDerWaalsContact CA-O 3.28Å; V133-S183 WeakPolarHBondContact CA-O 3.37Å; V133-V185 HydrophobicContact CG1-CG2 3.86Å; V133-I276 HydrophobicContact CG1-CG2 4.35Å
134L98.9Very high97.2Very high0 Ų028 Ų280%016%0.161CC..EExtended strand (participates in β ladder)trans-98.5118.1166.1173.764.7000108.7W53 L168 V172 M176 S183 V184 V185W53-L134 HydrophobicContact CB-CD1 4.21Å; W53-L134 HydrophobicContact CD2-CD1 4.19Å; W53-L134 HydrophobicContact CE3-CD1 4.21Å; W53-L134 HydrophobicContact CG-CD1 4.19Å; L134-L168 HydrophobicContact CD1-CD2 3.99Å; L134-L168 HydrophobicContact CD1-CG 4.5Å; L134-V172 HydrophobicContact CB-CG1 4.29Å; L134-V172 HydrophobicContact CD2-CB 4.04Å; L134-V172 HydrophobicContact CD2-CG1 4.29Å; L134-V172 HydrophobicContact CD2-CG2 3.99Å; L134-M176 HydrophobicContact CB-CE 4.34Å; L134-S183 PolarHBondContact N-O 3.31Å; L134-V184 HydrophobicContact CD2-CG1 4.37Å; L134-V185 PolarHBondContact O-N 2.7Å
135I98.9Very high97Very high1 Ų129.3 Ų29.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-103.7100.8173.5-49.7-174.2000109.4V52 W53 V54 T55 L65 L69 V133 N137 V185 V187 I276V52-I135 HydrophobicContact CG1-CD1 3.69Å; V52-I135 HydrophobicContact CG1-CG1 3.96Å; W53-I135 PolarHBondContact O-N 3.13Å; V54-I135 HydrophobicContact CG2-CB 4.46Å; V54-I135 HydrophobicContact CG2-CD1 4.26Å; T55-I135 PolarHBondContact N-O 3Å; T55-I135 PolarHBondContact OG1-O 3.03Å; L65-I135 HydrophobicContact CD1-CD1 4.49Å; L65-I135 HydrophobicContact CD1-CG2 3.91Å; L65-I135 HydrophobicContact CD2-CD1 4.15Å; L69-I135 HydrophobicContact CD1-CD1 4.09Å; V133-I135 HydrophobicContact CG1-CD1 4.38Å; V133-I135 HydrophobicContact CG1-CG1 3.82Å; I135-N137 HydrophobicContact CG2-CB 4.22Å; I135-N137 PolarHBondContact O-N 2.77Å; I135-N137 VanDerWaalsContact O-N 3.13Å; I135-V185 CarbonylContact C-O 3.54Å; I135-V185 WeakPolarHBondContact CA-O 3.41Å; I135-V185 HydrophobicContact CG1-CB 4.26Å; I135-V185 HydrophobicContact CG2-CB 4.48Å; I135-V187 HydrophobicContact CG2-CG2 4.28Å; I135-I276 HydrophobicContact CD1-CD1 3.94Å
136N98.9Very high96.9Very high3 Ų333.9 Ų33.92%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-77.888.7172.5-70.4-46.4000109.8T55 T165 T169 V185 T186 V187T55-N136 WeakPolarHBondContact OG1-CA 3.46Å; N136-T165 HydrophobicContact CB-CG2 3.61Å; N136-T169 PolarHBondContact ND2-OG1 2.67Å; N136-V185 PolarHBondContact N-O 3.32Å; N136-T186 HydrophobicContact CB-CG2 4.29Å; N136-T186 PolarHBondContact ND2-OG1 3.29Å; N136-V187 PolarHBondContact O-N 3.44Å
137N98.4Very high96.7Very high26 Ų2635 Ų3514%0.13920%0.196CC..  trans-113.7-20.2-180162.487.6000113.2T55 G56 G62 I135 G139 V187T55-N137 VanDerWaalsContact O-CB 3.24Å; T55-N137 WeakPolarHBondContact O-CB 3.44Å; T55-N137 PolarHBondContact O-ND2 2.76Å; T55-N137 PolarHBondContact OG1-N 2.88Å; G56-N137 PolarHBondContact O-ND2 3.01Å; G62-N137 WeakPolarHBondContact CA-ND2 3.49Å; I135-N137 HydrophobicContact CG2-CB 4.22Å; I135-N137 PolarHBondContact O-N 2.77Å; I135-N137 VanDerWaalsContact O-N 3.13Å; N137-G139 PolarHBondContact O-N 3.13Å; N137-V187 HydrophobicContact CB-CB 4.27Å; N137-V187 HydrophobicContact CB-CG2 3.76Å
138G95.4Very high96.6Very high8 Ų835.4 Ų35.48%0.08220%0.196CC..  trans-58.1132.817900000112.9T55T55-G138 PolarHBondContact O-N 3.45Å; T55-G138 PolarHBondContact OG1-N 3.2Å; T55-G138 VanDerWaalsContact OG1-N 3.13Å
139G94.4Very high96.5Very high38 Ų3835.2 Ų35.239%0.39220%0.196SC..  trans171.717617700000113N137 N161N137-G139 PolarHBondContact O-N 3.13Å; G139-N161 WeakPolarHBondContact CA-OD1 3.35Å
140R94.3Very high96.4Very high60 Ų6038.9 Ų38.923%0.22619%0.193CC..  trans-132.7151.2174.9-70.3179.173.5-176.8-1.3111L157 L160 N161 Y202 N243 F245R140-L157 WeakPolarHBondContact O-CD2 3.22Å; R140-L160 HydrophobicContact CB-CD2 3.95Å; R140-L160 HydrophobicContact CG-CD2 3.65Å; R140-N161 PolarHBondContact N-OD1 3.13Å; R140-N161 PolarHBondContact O-ND2 3.36Å; R140-N161 PolarHBondContact O-OD1 2.79Å; R140-Y202 VanDerWaalsContact O-CD2 3.27Å; R140-Y202 WeakPolarHBondContact O-CD2 2.92Å; R140-Y202 WeakPolarHBondContact O-CE2 3.32Å; R140-N243 VanDerWaalsContact CZ-O 3.26Å; R140-N243 PolarHBondContact NE-O 3.29Å; R140-N243 PolarHBondContact NH2-O 3.17Å; R140-F245 HydrophobicContact CB-CD2 4.18Å; R140-F245 HydrophobicContact CB-CE2 4.04Å; R140-F245 VanDerWaalsContact CZ-CE1 3.47Å; R140-F245 VanDerWaalsContact NH1-CZ 3.29Å
141S94.1Very high96.4Very high18 Ų1840.9 Ų40.913%0.12621%0.209CC..  trans-88.9-178.3172.1-170.70000111.7A244 F245S141-A244 CarbonylContact O-C 3.44Å; S141-A244 WeakPolarHBondContact O-CA 3.35Å; S141-F245 PolarHBondContact O-N 2.89Å
142Q94.4Very high96.4Very high2 Ų244.1 Ų44.11%0.00922%0.224CC..BIsolated β-bridgetrans-132144.8174.1-170-156.3-21.500109.6S144 T149 V153 L157 L198 G201 F245Q142-S144 PolarHBondContact NE2-OG 3.36Å; Q142-T149 PolarHBondContact NE2-OG1 3.11Å; Q142-V153 HydrophobicContact CG-CG1 4.33Å; Q142-L157 HydrophobicContact CB-CD1 3.78Å; Q142-L157 HydrophobicContact CG-CD1 3.99Å; Q142-L198 CarbonylContact C-O 3.57Å; Q142-G201 VanDerWaalsContact OE1-CA 3.29Å; Q142-F245 CarbonylContact C-O 3.6Å; Q142-F245 VanDerWaalsContact CA-O 3.29Å; Q142-F245 WeakPolarHBondContact CA-O 3.3Å
143R93.4Very high96.3Very high20 Ų2043.4 Ų43.48%0.07522%0.22CC..  trans-142.378.9177.7-162.572.3152.7-165.9-0.4110.8L198 A244 F245 V253 R315 F319 D324 D326R143-L198 VanDerWaalsContact CA-O 3.3Å; R143-L198 WeakPolarHBondContact CA-O 3.5Å; R143-L198 PolarHBondContact N-O 2.91Å; R143-A244 HydrophobicContact CB-CB 4.14Å; R143-F245 PolarHBondContact N-O 3.14Å; R143-V253 HydrophobicContact CB-CG2 4.33Å; R143-R315 VanDerWaalsContact NH1-NH2 3.15Å; R143-F319 HydrophobicContact CG-CE2 4.19Å; R143-D324 IonicContact NH2-OD1 3.53Å; R143-D326 IonicContact CZ-OD1 2.69Å; R143-D326 IonicContact NH1-OD1 3.81Å; R143-D326 PolarHBondContact NH1-OD1 3.3Å; R143-D326 IonicContact NH1-OD2 3.06Å; R143-D326 IonicContact NH2-OD1 2.8Å; R143-D326 PolarHBondContact NH2-OD1 2.93Å; R143-D326 IonicContact NH2-OD2 3.57Å
144S93.9Very high96.3Very high0 Ų045 Ų450%023%0.225CC..SBendtrans-163.2152.6-179.2440000112Q142 T149 L198 T246Q142-S144 PolarHBondContact NE2-OG 3.36Å; S144-T149 VanDerWaalsContact CB-OG1 3.31Å; S144-T149 WeakPolarHBondContact CB-OG1 3.38Å; S144-T149 PolarHBondContact OG-OG1 3.23Å; S144-L198 PolarHBondContact N-O 3.46Å; S144-L198 VanDerWaalsContact N-O 3.09Å; S144-L198 CarbonylContact O-C 3.45Å; S144-L198 VanDerWaalsContact O-CA 3.23Å; S144-L198 WeakPolarHBondContact O-CA 3.46Å; S144-T246 VanDerWaalsContact CB-C 3.42Å; S144-T246 WeakPolarHBondContact CB-O 3.45Å; S144-T246 VanDerWaalsContact OG-C 3.27Å; S144-T246 PolarHBondContact OG-O 3.29Å
145L94.8Very high96.2Very high28 Ų2850.5 Ų50.515%0.14725%0.251CS..  trans-75.3144.9173.2-70.6169.5000110.3L147 E148 T149 L198 V316 F319 K320L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 2.83Å; L145-E148 HydrophobicContact CB-CG 4.4Å; L145-E148 PolarHBondContact O-N 2.77Å; L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 3.33Å; L145-L198 HydrophobicContact CD2-CD2 3.58Å; L145-L198 HydrophobicContact CG-CD2 3.8Å; L145-V316 HydrophobicContact CD2-CG1 4.07Å; L145-V316 HydrophobicContact CD2-CG2 4.21Å; L145-F319 HydrophobicContact CD1-CD1 4.26Å; L145-F319 HydrophobicContact CD1-CE1 4.39Å; L145-F319 HydrophobicContact CG-CD1 4.2Å; L145-F319 HydrophobicContact CG-CE1 4.18Å; L145-K320 HydrophobicContact CD1-CG 4.25Å
146F95.6Very high96.2Very high134 Ų13451.5 Ų51.559%0.58826%0.259SS*.THydrogen-bonded Turntrans-53-44.5179.9172-98.7000112.7E148 T149 Y154 T200F146-E148 PolarHBondContact O-N 2.93Å; F146-E148 VanDerWaalsContact O-N 3.14Å; F146-T149 PolarHBondContact O-N 2.82Å; F146-Y154 HydrophobicContact CD2-CE2 4.26Å; F146-Y154 VanDerWaalsContact CD2-OH 3.28Å; F146-Y154 WeakPolarHBondContact CD2-OH 3.33Å; F146-Y154 HydrophobicContact CE2-CE2 4.22Å; F146-T200 HydrophobicContact CB-CG2 4.29Å
147L96Very high96.1Very high163 Ų16351.3 Ų51.385%0.85326%0.259SS*.THydrogen-bonded Turntrans-62.8-20.8-179.5-62.8177.8000113.8L145L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 2.83Å
148E94.9Very high96.1Very high93 Ų9352.9 Ų52.944%0.43527%0.266SS..THydrogen-bonded Turntrans-101.5-24.1-178.8-64.9160.8-171.800111.5L145 F146 E247L145-E148 HydrophobicContact CB-CG 4.4Å; L145-E148 PolarHBondContact O-N 2.77Å; F146-E148 PolarHBondContact O-N 2.93Å; F146-E148 VanDerWaalsContact O-N 3.14Å; E148-E247 HydrophobicContact CB-CB 4.25Å; E148-E247 WeakPolarHBondContact O-CB 3.39Å
149T96.5Very high96.2Very high13 Ų1355.8 Ų55.88%0.0828%0.277CS..  trans-78.5127.9-171.3-48.50000110.8Q142 S144 L145 F146 V153 Y154Q142-T149 PolarHBondContact NE2-OG1 3.11Å; S144-T149 VanDerWaalsContact CB-OG1 3.31Å; S144-T149 WeakPolarHBondContact CB-OG1 3.38Å; S144-T149 PolarHBondContact OG-OG1 3.23Å; L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 3.33Å; F146-T149 PolarHBondContact O-N 2.82Å; T149-V153 HydrophobicContact CG2-CB 3.79Å; T149-V153 HydrophobicContact CG2-CG1 3.94Å; T149-V153 HydrophobicContact CG2-CG2 4.23Å; T149-Y154 VanDerWaalsContact CB-OH 3.25Å; T149-Y154 WeakPolarHBondContact CB-OH 3.12Å; T149-Y154 HydrophobicContact CG2-CD1 4.23Å; T149-Y154 HydrophobicContact CG2-CE1 3.54Å; T149-Y154 HydrophobicContact CG2-CE2 4.3Å
150R97.4Very high96.4Very high132 Ų13254.9 Ų54.950%0.49826%0.263SS..  trans-75.2150.8173.6-50.917553.5122.42.7112.2E152 V153 E247 E248R150-E152 WeakPolarHBondContact CB-OE2 3.44Å; R150-E152 IonicContact CZ-OE1 3.21Å; R150-E152 IonicContact CZ-OE2 2.8Å; R150-E152 IonicContact NE-OE1 2.72Å; R150-E152 IonicContact NE-OE2 3.92Å; R150-E152 PolarHBondContact NE-OE2 3.4Å; R150-E152 IonicContact NH2-OE1 3.78Å; R150-E152 PolarHBondContact NH2-OE1 2.91Å; R150-E152 IonicContact NH2-OE2 3.71Å; R150-E152 PolarHBondContact O-N 3.23Å; R150-V153 WeakPolarHBondContact O-CB 3.18Å; R150-V153 PolarHBondContact O-N 2.96Å; R150-V153 VanDerWaalsContact O-N 3.1Å; R150-E247 WeakPolarHBondContact CG-O 3.47Å; R150-E247 PolarHBondContact N-O 2.98Å; R150-E248 HydrophobicContact CG-CG 4.46Å
151V97.8Very high96.6Very high92 Ų9252.1 Ų52.156%0.55825%0.253SS*.Hα-helixtrans-60.4-33-178.3176.20000112.2V153 Y154 E155V151-V153 PolarHBondContact O-N 3.11Å; V151-V153 VanDerWaalsContact O-N 3.16Å; V151-Y154 WeakPolarHBondContact O-CA 3.36Å; V151-Y154 VanDerWaalsContact O-CB 3.32Å; V151-Y154 WeakPolarHBondContact O-CB 3.31Å; V151-Y154 PolarHBondContact O-N 3.3Å; V151-E155 HydrophobicContact CG1-CG 4.44Å; V151-E155 PolarHBondContact O-N 3.39Å; V151-E155 VanDerWaalsContact O-N 3.07Å
152E97.9Very high96.8Very high73 Ų7352.8 Ų52.834%0.34125%0.254SS..Hα-helixtrans-63.3-25.2-179.7-53.786.8167.800112.2R150 Y154 A156 L249R150-E152 WeakPolarHBondContact CB-OE2 3.44Å; R150-E152 IonicContact CZ-OE1 3.21Å; R150-E152 IonicContact CZ-OE2 2.8Å; R150-E152 IonicContact NE-OE1 2.72Å; R150-E152 IonicContact NE-OE2 3.92Å; R150-E152 PolarHBondContact NE-OE2 3.4Å; R150-E152 IonicContact NH2-OE1 3.78Å; R150-E152 PolarHBondContact NH2-OE1 2.91Å; R150-E152 IonicContact NH2-OE2 3.71Å; R150-E152 PolarHBondContact O-N 3.23Å; E152-Y154 VanDerWaalsContact C-N 3.34Å; E152-A156 WeakPolarHBondContact O-CB 3.37Å; E152-A156 PolarHBondContact O-N 3.13Å; E152-L249 HydrophobicContact CB-CD1 4.49Å
153V97.4Very high97Very high1 Ų155.5 Ų55.51%0.00627%0.267CS..Hα-helixtrans-66.5-38.5171.7175.80000110.8Q142 T149 R150 V151 L157 F245 L249Q142-V153 HydrophobicContact CG-CG1 4.33Å; T149-V153 HydrophobicContact CG2-CB 3.79Å; T149-V153 HydrophobicContact CG2-CG1 3.94Å; T149-V153 HydrophobicContact CG2-CG2 4.23Å; R150-V153 WeakPolarHBondContact O-CB 3.18Å; R150-V153 PolarHBondContact O-N 2.96Å; R150-V153 VanDerWaalsContact O-N 3.1Å; V151-V153 PolarHBondContact O-N 3.11Å; V151-V153 VanDerWaalsContact O-N 3.16Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 WeakPolarHBondContact O-CB 3.33Å; V153-L157 WeakPolarHBondContact O-CD1 3.16Å; V153-L157 VanDerWaalsContact O-CG 3.3Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 2.88Å; V153-F245 HydrophobicContact CG1-CB 3.67Å; V153-F245 HydrophobicContact CG1-CG 4.23Å; V153-L249 HydrophobicContact CB-CD2 4.48Å; V153-L249 HydrophobicContact CG2-CD2 4.12Å; V153-L249 HydrophobicContact CG2-CG 4.41Å
154Y97.9Very high97.3Very high40 Ų4054.5 Ų54.516%0.15726%0.264CS..Hα-helixtrans-69.6-42177.2-56.7-38.3000111.9F146 T149 V151 E152 L157 M158 T200F146-Y154 HydrophobicContact CD2-CE2 4.26Å; F146-Y154 VanDerWaalsContact CD2-OH 3.28Å; F146-Y154 WeakPolarHBondContact CD2-OH 3.33Å; F146-Y154 HydrophobicContact CE2-CE2 4.22Å; T149-Y154 VanDerWaalsContact CB-OH 3.25Å; T149-Y154 WeakPolarHBondContact CB-OH 3.12Å; T149-Y154 HydrophobicContact CG2-CD1 4.23Å; T149-Y154 HydrophobicContact CG2-CE1 3.54Å; T149-Y154 HydrophobicContact CG2-CE2 4.3Å; V151-Y154 WeakPolarHBondContact O-CA 3.36Å; V151-Y154 VanDerWaalsContact O-CB 3.32Å; V151-Y154 WeakPolarHBondContact O-CB 3.31Å; V151-Y154 PolarHBondContact O-N 3.3Å; E152-Y154 VanDerWaalsContact C-N 3.34Å; Y154-L157 PolarHBondContact O-N 3.46Å; Y154-M158 WeakPolarHBondContact O-CG 3.48Å; Y154-M158 PolarHBondContact O-N 2.89Å; Y154-T200 PolarHBondContact OH-OG1 2.96Å; Y154-T200 VanDerWaalsContact OH-OG1 3.12Å
155E98.2Very high97.5Very high115 Ų11554.7 Ų54.754%0.53727%0.265SS..Hα-helixtrans-58.5-50.5172.8-66.2175.6163.900110.5V151 L157 M158 E159V151-E155 HydrophobicContact CG1-CG 4.44Å; V151-E155 PolarHBondContact O-N 3.39Å; V151-E155 VanDerWaalsContact O-N 3.07Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.34Å; E155-M158 PolarHBondContact O-N 2.89Å; E155-M158 VanDerWaalsContact O-N 3.14Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 VanDerWaalsContact O-CG 3.3Å; E155-E159 WeakPolarHBondContact O-CG 3.46Å; E155-E159 PolarHBondContact O-N 3.06Å
156A97.8Very high97.7Very high22 Ų2254.5 Ų54.518%0.18227%0.265CS..Hα-helixtrans-60.7-38.2178.700000113.1E152 L160 F245 L249E152-A156 WeakPolarHBondContact O-CB 3.37Å; E152-A156 PolarHBondContact O-N 3.13Å; A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 PolarHBondContact O-N 2.84Å; A156-F245 HydrophobicContact CB-CE2 4.32Å; A156-F245 HydrophobicContact CB-CZ 4.07Å; A156-L249 HydrophobicContact CB-CD2 3.44Å; A156-L249 VanDerWaalsContact CB-CD2 3.44Å
157L97.4Very high97.8Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-64.2-43.7174.8-80.9161.8000111.9R140 Q142 V153 Y154 E155 N161 F245R140-L157 WeakPolarHBondContact O-CD2 3.22Å; Q142-L157 HydrophobicContact CB-CD1 3.78Å; Q142-L157 HydrophobicContact CG-CD1 3.99Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 WeakPolarHBondContact O-CB 3.33Å; V153-L157 WeakPolarHBondContact O-CD1 3.16Å; V153-L157 VanDerWaalsContact O-CG 3.3Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 2.88Å; Y154-L157 PolarHBondContact O-N 3.46Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.34Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 2.85Å; L157-F245 HydrophobicContact CD2-CD2 3.75Å; L157-F245 HydrophobicContact CD2-CE2 4.2Å; L157-F245 HydrophobicContact CG-CD2 3.8Å; L157-F245 HydrophobicContact CG-CE2 4.23Å
158M98.6Very high98Very high58 Ų5841.3 Ų41.329%0.28620%0.203SC..Hα-helixtrans-67.9-44.2177.7-73-58.4-60.900111.8Y154 E155 L160 F162 I163 S205 A208Y154-M158 WeakPolarHBondContact O-CG 3.48Å; Y154-M158 PolarHBondContact O-N 2.89Å; E155-M158 PolarHBondContact O-N 2.89Å; E155-M158 VanDerWaalsContact O-N 3.14Å; M158-L160 PolarHBondContact O-N 3.15Å; M158-F162 HydrophobicContact CE-CB 3.99Å; M158-F162 HydrophobicContact CE-CD1 3.57Å; M158-F162 HydrophobicContact CE-CE1 4.38Å; M158-F162 HydrophobicContact CE-CG 3.98Å; M158-F162 WeakPolarHBondContact O-CA 3.44Å; M158-F162 VanDerWaalsContact O-CB 3.31Å; M158-F162 WeakPolarHBondContact O-CB 3.43Å; M158-F162 PolarHBondContact O-N 3.13Å; M158-F162 VanDerWaalsContact O-N 3.08Å; M158-I163 PolarHBondContact O-N 3.36Å; M158-S205 VanDerWaalsContact SD-CA 3.57Å; M158-A208 HydrophobicContact CE-CB 3.87Å
159E98.4Very high98.2Very high69 Ų6937 Ų3732%0.32218%0.183SC..Iπ-helixtrans-60.2-45.6177.5-72.6-64.1121.200111.4L112 R114 E155 G164L112-E159 HydrophobicContact CD2-CB 3.78Å; R114-E159 IonicContact CZ-OE2 2.95Å; R114-E159 IonicContact NH1-OE2 2.66Å; R114-E159 PolarHBondContact NH1-OE2 3.36Å; R114-E159 IonicContact NH2-OE2 3.27Å; R114-E159 PolarHBondContact NH2-OE2 3.21Å; E155-E159 WeakPolarHBondContact O-CB 3.23Å; E155-E159 VanDerWaalsContact O-CG 3.3Å; E155-E159 WeakPolarHBondContact O-CG 3.46Å; E155-E159 PolarHBondContact O-N 3.06Å; E159-G164 PolarHBondContact O-N 3.45Å
160L97.9Very high98.3Very high20 Ų2043.8 Ų43.811%0.10521%0.211CC..Iπ-helixtrans-76.4-57.4-177.8178.359.7000113L111 L112 R140 A156 M158L111-L160 HydrophobicContact CB-CD1 3.93Å; L111-L160 HydrophobicContact CD1-CD1 4.28Å; L112-L160 HydrophobicContact CD2-CB 4.04Å; L112-L160 HydrophobicContact CD2-CD1 4.49Å; L112-L160 HydrophobicContact CG-CD1 4.35Å; R140-L160 HydrophobicContact CB-CD2 3.95Å; R140-L160 HydrophobicContact CG-CD2 3.65Å; A156-L160 WeakPolarHBondContact O-CB 3.38Å; A156-L160 PolarHBondContact O-N 2.84Å; M158-L160 PolarHBondContact O-N 3.15Å
161N98.3Very high98.3Very high1 Ų140 Ų401%0.00520%0.2CC..Iπ-helixtrans-79.1-26-169.3-66.7-9.9000112.8G139 R140 L157 T165 S205 L209G139-N161 WeakPolarHBondContact CA-OD1 3.35Å; R140-N161 PolarHBondContact N-OD1 3.13Å; R140-N161 PolarHBondContact O-ND2 3.36Å; R140-N161 PolarHBondContact O-OD1 2.79Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 2.85Å; N161-T165 PolarHBondContact O-OG1 3.12Å; N161-S205 PolarHBondContact ND2-OG 3.05Å; N161-L209 WeakPolarHBondContact O-CD2 3.49Å
162F98.8Very high98.4Very high33 Ų3335.7 Ų35.715%0.14517%0.173CC..Iπ-helixtrans-112.6-66.9-174.3176.6-114.8000111.5M158 G164 T165 V166 A208 L209 F212M158-F162 HydrophobicContact CE-CB 3.99Å; M158-F162 HydrophobicContact CE-CD1 3.57Å; M158-F162 HydrophobicContact CE-CE1 4.38Å; M158-F162 HydrophobicContact CE-CG 3.98Å; M158-F162 WeakPolarHBondContact O-CA 3.44Å; M158-F162 VanDerWaalsContact O-CB 3.31Å; M158-F162 WeakPolarHBondContact O-CB 3.43Å; M158-F162 PolarHBondContact O-N 3.13Å; M158-F162 VanDerWaalsContact O-N 3.08Å; F162-G164 PolarHBondContact O-N 3.19Å; F162-T165 WeakPolarHBondContact O-CB 3.39Å; F162-T165 PolarHBondContact O-N 3.01Å; F162-V166 HydrophobicContact CD2-CG2 4.02Å; F162-V166 HydrophobicContact CE2-CG2 3.64Å; F162-V166 HydrophobicContact CZ-CG2 3.97Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.29Å; F162-A208 HydrophobicContact CB-CB 4.48Å; F162-A208 HydrophobicContact CD1-CB 4.29Å; F162-A208 HydrophobicContact CD2-CB 3.77Å; F162-A208 HydrophobicContact CE2-CB 4.04Å; F162-A208 WeakPolarHBondContact CE2-O 2.89Å; F162-A208 HydrophobicContact CG-CB 3.91Å; F162-A208 HydrophobicContact CZ-CB 4.4Å; F162-L209 HydrophobicContact CD2-CD2 3.94Å; F162-L209 HydrophobicContact CD2-CG 4.27Å; F162-F212 HydrophobicContact CE2-CB 3.56Å; F162-F212 HydrophobicContact CE2-CD2 4.16Å; F162-F212 AromaticContact CE2-CG 3.89Å; F162-F212 HydrophobicContact CE2-CG 3.89Å; F162-F212 HydrophobicContact CZ-CB 4.04Å; F162-F212 AromaticContact CZ-CD2 3.97Å; F162-F212 HydrophobicContact CZ-CD2 3.97Å; F162-F212 HydrophobicContact CZ-CG 4.18Å
163I98.7Very high98.4Very high58 Ų5833.3 Ų33.330%0.29716%0.163SC..Iπ-helixtrans-64.3-41.7-171.7-59-64.1000111.6M158 T165 V166 S167M158-I163 PolarHBondContact O-N 3.36Å; I163-T165 PolarHBondContact O-N 3.45Å; I163-V166 PolarHBondContact O-N 2.91Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.4Å; I163-S167 PolarHBondContact O-N 2.93Å
164G98.6Very high98.4Very high0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-58.8-46.1174.500000112.9L111 H117 E159 F162 S167 L168L111-G164 WeakPolarHBondContact O-CA 3.24Å; H117-G164 PolarHBondContact CE1-O 2.89Å; H117-G164 VanDerWaalsContact CE1-O 3.31Å; E159-G164 PolarHBondContact O-N 3.45Å; F162-G164 PolarHBondContact O-N 3.19Å; G164-S167 WeakPolarHBondContact O-CB 3.21Å; G164-S167 PolarHBondContact O-N 3.25Å; G164-L168 PolarHBondContact O-N 3.5Å
165T98.6Very high98.4Very high3 Ų338 Ų382%0.01819%0.192CC..Hα-helixtrans-61.8-44.5175.9-66.60000112.8N136 N161 F162 I163 L168 T169 T186 L209 F213N136-T165 HydrophobicContact CB-CG2 3.61Å; N161-T165 PolarHBondContact O-OG1 3.12Å; F162-T165 WeakPolarHBondContact O-CB 3.39Å; F162-T165 PolarHBondContact O-N 3.01Å; I163-T165 PolarHBondContact O-N 3.45Å; T165-L168 PolarHBondContact O-N 2.89Å; T165-T169 WeakPolarHBondContact O-CB 3.32Å; T165-T169 PolarHBondContact O-N 3.26Å; T165-T169 PolarHBondContact O-OG1 3.31Å; T165-T186 HydrophobicContact CG2-CG2 4.38Å; T165-L209 HydrophobicContact CG2-CD2 3.84Å; T165-F213 HydrophobicContact CG2-CE2 3.84Å; T165-F213 HydrophobicContact CG2-CZ 3.86Å
166V98.8Very high98.5Very high24 Ų2432.6 Ų32.615%0.14517%0.167CC..Hα-helixtrans-62.4-45.7175.5169.50000110.4F162 I163 L168 T169 K170 F212F162-V166 HydrophobicContact CD2-CG2 4.02Å; F162-V166 HydrophobicContact CE2-CG2 3.64Å; F162-V166 HydrophobicContact CZ-CG2 3.97Å; F162-V166 WeakPolarHBondContact O-CG2 3.36Å; F162-V166 PolarHBondContact O-N 3.29Å; I163-V166 PolarHBondContact O-N 2.91Å; V166-L168 PolarHBondContact O-N 3.49Å; V166-T169 PolarHBondContact O-N 2.95Å; V166-K170 WeakPolarHBondContact O-CB 3.26Å; V166-K170 PolarHBondContact O-N 3.1Å; V166-F212 HydrophobicContact CB-CE1 4.41Å; V166-F212 HydrophobicContact CB-CZ 4.24Å; V166-F212 HydrophobicContact CG1-CE1 4.09Å; V166-F212 HydrophobicContact CG1-CE2 3.78Å; V166-F212 HydrophobicContact CG1-CZ 3.48Å; V166-F212 VanDerWaalsContact CG1-CZ 3.48Å; V166-F212 HydrophobicContact CG2-CD1 3.8Å; V166-F212 HydrophobicContact CG2-CD2 4.05Å; V166-F212 HydrophobicContact CG2-CE1 3.73Å; V166-F212 HydrophobicContact CG2-CE2 3.97Å; V166-F212 HydrophobicContact CG2-CG 3.98Å; V166-F212 HydrophobicContact CG2-CZ 3.83Å
167S98.8Very high98.5Very high21 Ų2133.3 Ų33.315%0.14717%0.169CC..Hα-helixtrans-57.9-47.2179.6-175.60000111.6H117 I163 G164 K170 Q171H117-S167 WeakPolarHBondContact ND1-CB 3.48Å; H117-S167 PolarHBondContact ND1-OG 3.2Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.4Å; I163-S167 PolarHBondContact O-N 2.93Å; G164-S167 WeakPolarHBondContact O-CB 3.21Å; G164-S167 PolarHBondContact O-N 3.25Å; S167-K170 WeakPolarHBondContact O-CB 3.3Å; S167-K170 PolarHBondContact O-N 3.07Å; S167-Q171 WeakPolarHBondContact O-CG 3.46Å; S167-Q171 PolarHBondContact O-N 2.71Å
168L98.9Very high98.5Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-65.4-44.6177.9-17565.1000111.9W53 T55 L109 L111 H117 L134 G164 T165 V166 K170 Q171 V172W53-L168 HydrophobicContact CH2-CD1 3.69Å; W53-L168 HydrophobicContact CZ2-CD1 4.13Å; W53-L168 HydrophobicContact CZ3-CD1 4.12Å; T55-L168 HydrophobicContact CG2-CD2 3.46Å; T55-L168 VanDerWaalsContact CG2-CD2 3.46Å; L109-L168 HydrophobicContact CD2-CD1 4.42Å; L109-L168 HydrophobicContact CD2-CD2 3.98Å; L111-L168 HydrophobicContact CD2-CD2 4.35Å; H117-L168 HydrophobicContact CB-CD1 4.23Å; H117-L168 PolarHBondContact ND1-N 3.32Å; H117-L168 VanDerWaalsContact ND1-N 3.18Å; L134-L168 HydrophobicContact CD1-CD2 3.99Å; L134-L168 HydrophobicContact CD1-CG 4.5Å; G164-L168 PolarHBondContact O-N 3.5Å; T165-L168 PolarHBondContact O-N 2.89Å; V166-L168 PolarHBondContact O-N 3.49Å; L168-K170 PolarHBondContact O-N 3.27Å; L168-Q171 PolarHBondContact O-N 3.01Å; L168-V172 PolarHBondContact O-N 2.9Å; L168-V172 VanDerWaalsContact O-N 3.15Å
169T98.8Very high98.4Very high3 Ų341.9 Ų41.92%0.01821%0.205CC..Hα-helixtrans-57.5-39.1176.6-57.80000111.3N136 T165 V166 Q171 V172 L173 V184 F213 L216N136-T169 PolarHBondContact ND2-OG1 2.67Å; T165-T169 WeakPolarHBondContact O-CB 3.32Å; T165-T169 PolarHBondContact O-N 3.26Å; T165-T169 PolarHBondContact O-OG1 3.31Å; V166-T169 PolarHBondContact O-N 2.95Å; T169-Q171 PolarHBondContact O-N 2.66Å; T169-V172 PolarHBondContact O-N 2.8Å; T169-L173 VanDerWaalsContact O-CB 3.26Å; T169-L173 WeakPolarHBondContact O-CB 3.31Å; T169-L173 PolarHBondContact O-N 3.43Å; T169-V184 HydrophobicContact CG2-CG1 4.14Å; T169-V184 HydrophobicContact CG2-CG2 4.38Å; T169-F213 HydrophobicContact CG2-CE1 3.93Å; T169-F213 HydrophobicContact CG2-CZ 4.37Å; T169-L216 HydrophobicContact CG2-CD2 4.26Å
170K98.5Very high98.4Very high154 Ų15440 Ų4067%0.6721%0.205SC*.Hα-helixtrans-63.3-25.5178.1-170.9159.9-177.8153.90113.4V166 S167 L168 P174V166-K170 WeakPolarHBondContact O-CB 3.26Å; V166-K170 PolarHBondContact O-N 3.1Å; S167-K170 WeakPolarHBondContact O-CB 3.3Å; S167-K170 PolarHBondContact O-N 3.07Å; L168-K170 PolarHBondContact O-N 3.27Å; K170-P174 WeakPolarHBondContact O-CD 3.45Å; K170-P174 WeakPolarHBondContact O-CG 3.46Å
171Q98.8Very high98.4Very high54 Ų5446.4 Ų46.425%0.25223%0.227SC..Hα-helixtrans-82.7-38174.1-55-51.8-38.900112.1H117 E118 T121 S167 L168 T169 H175H117-Q171 HydrophobicContact CB-CG 3.85Å; E118-Q171 HydrophobicContact CB-CG 4.45Å; T121-Q171 HydrophobicContact CG2-CB 4.29Å; T121-Q171 WeakPolarHBondContact OG1-CB 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.46Å; S167-Q171 PolarHBondContact O-N 2.71Å; L168-Q171 PolarHBondContact O-N 3.01Å; T169-Q171 PolarHBondContact O-N 2.66Å; Q171-H175 PolarHBondContact O-CD2 2.93Å; Q171-H175 VanDerWaalsContact O-CD2 3.26Å
172V98.8Very high98.4Very high1 Ų146.9 Ų46.91%0.00623%0.233CC..Hα-helixtrans-79.3-39.8-176.1176.20000112.8W53 T121 I131 L134 L168 T169 H175 M176W53-V172 HydrophobicContact CE3-CG2 4.06Å; W53-V172 HydrophobicContact CZ3-CG2 3.81Å; T121-V172 HydrophobicContact CG2-CG2 4.01Å; I131-V172 HydrophobicContact CB-CG1 4.3Å; I131-V172 HydrophobicContact CD1-CG1 3.96Å; I131-V172 HydrophobicContact CD1-CG2 3.97Å; I131-V172 HydrophobicContact CG2-CG1 4.09Å; L134-V172 HydrophobicContact CB-CG1 4.29Å; L134-V172 HydrophobicContact CD2-CB 4.04Å; L134-V172 HydrophobicContact CD2-CG1 4.29Å; L134-V172 HydrophobicContact CD2-CG2 3.99Å; L168-V172 PolarHBondContact O-N 2.9Å; L168-V172 VanDerWaalsContact O-N 3.15Å; T169-V172 PolarHBondContact O-N 2.8Å; V172-H175 WeakPolarHBondContact O-CB 3.49Å; V172-H175 PolarHBondContact O-N 3.26Å; V172-H175 VanDerWaalsContact O-N 3.15Å; V172-M176 HydrophobicContact CG1-CE 3.71Å; V172-M176 HydrophobicContact CG1-CG 4.35Å; V172-M176 HydrophobicContact CG1-SD 4.22Å; V172-M176 PolarHBondContact O-N 3.19Å
173L98.5Very high98.4Very high22 Ų2245.8 Ų45.812%0.11523%0.229CC..Hα-helixtrans-60.1-41.2-170.7-174.463.9000114T169 H175 M176 T177 L216 L220 I226T169-L173 VanDerWaalsContact O-CB 3.26Å; T169-L173 WeakPolarHBondContact O-CB 3.31Å; T169-L173 PolarHBondContact O-N 3.43Å; L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 3.34Å; L173-M176 WeakPolarHBondContact O-CB 3.33Å; L173-M176 PolarHBondContact O-N 3.39Å; L173-T177 HydrophobicContact CD1-CG2 4.41Å; L173-T177 HydrophobicContact CG-CG2 4.34Å; L173-T177 WeakPolarHBondContact O-CG2 3.44Å; L173-T177 PolarHBondContact O-N 2.87Å; L173-T177 PolarHBondContact O-OG1 3.46Å; L173-L216 HydrophobicContact CD2-CD1 3.88Å; L173-L216 HydrophobicContact CD2-CD2 4.19Å; L173-L216 HydrophobicContact CD2-CG 4.47Å; L173-L220 HydrophobicContact CD1-CD1 4.03Å; L173-L220 HydrophobicContact CD1-CD2 4.45Å; L173-L220 HydrophobicContact CD2-CD1 4.36Å; L173-L220 HydrophobicContact CD2-CD2 4.28Å; L173-I226 HydrophobicContact CD1-CG2 4.05Å
174P98.3Very high98.4Very high69 Ų6943 Ų4345%0.44822%0.215SC..Hα-helixtrans-53.4-41.9174.7-28.837.1000113.2K170 M176 T177 Q178K170-P174 WeakPolarHBondContact O-CD 3.45Å; K170-P174 WeakPolarHBondContact O-CG 3.46Å; P174-M176 PolarHBondContact O-N 2.92Å; P174-T177 WeakPolarHBondContact CA-OG1 3.31Å; P174-T177 PolarHBondContact O-N 3.49Å; P174-T177 PolarHBondContact O-OG1 3.31Å; P174-Q178 PolarHBondContact O-N 3.21Å
175H97.9Very high98.4Very high72 Ų7243 Ų4333%0.33322%0.215SC..Hα-helixtrans-65.1-38.8176.7-62-73.4000112.5I125 Q171 V172 L173 R179I125-H175 HydrophobicContact CD1-CB 4.46Å; Q171-H175 PolarHBondContact O-CD2 2.93Å; Q171-H175 VanDerWaalsContact O-CD2 3.26Å; V172-H175 WeakPolarHBondContact O-CB 3.49Å; V172-H175 PolarHBondContact O-N 3.26Å; V172-H175 VanDerWaalsContact O-N 3.15Å; L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 3.34Å; H175-R179 WeakPolarHBondContact O-CB 3.21Å; H175-R179 PolarHBondContact O-N 3.46Å; H175-R179 VanDerWaalsContact O-N 3.12Å
176M98.6Very high98.4Very high1 Ų143 Ų431%0.00521%0.214CC..Hα-helixtrans-65-41.3174.9-67.2-178.2169.700111.6I131 L134 V172 L173 P174 R179 G180 R181 S183 V184 I226I131-M176 HydrophobicContact CG2-CE 4.02Å; L134-M176 HydrophobicContact CB-CE 4.34Å; V172-M176 HydrophobicContact CG1-CE 3.71Å; V172-M176 HydrophobicContact CG1-CG 4.35Å; V172-M176 HydrophobicContact CG1-SD 4.22Å; V172-M176 PolarHBondContact O-N 3.19Å; L173-M176 WeakPolarHBondContact O-CB 3.33Å; L173-M176 PolarHBondContact O-N 3.39Å; P174-M176 PolarHBondContact O-N 2.92Å; M176-R179 PolarHBondContact O-N 3.19Å; M176-G180 PolarHBondContact O-N 3.45Å; M176-R181 PolarHBondContact O-N 3.08Å; M176-R181 VanDerWaalsContact O-N 3.12Å; M176-S183 WeakPolarHBondContact CE-O 3.47Å; M176-V184 HydrophobicContact CE-CG2 4.47Å; M176-V184 HydrophobicContact SD-CG2 3.94Å; M176-I226 HydrophobicContact CB-CD1 3.99Å; M176-I226 HydrophobicContact CB-CG1 4.48Å
177T98.3Very high98.4Very high36 Ų3642.2 Ų42.222%0.22121%0.21CC..Hα-helixtrans-65-44.617759.50000112.4L173 P174 R179 G180 L220 F223 I226L173-T177 HydrophobicContact CD1-CG2 4.41Å; L173-T177 HydrophobicContact CG-CG2 4.34Å; L173-T177 WeakPolarHBondContact O-CG2 3.44Å; L173-T177 PolarHBondContact O-N 2.87Å; L173-T177 PolarHBondContact O-OG1 3.46Å; P174-T177 WeakPolarHBondContact CA-OG1 3.31Å; P174-T177 PolarHBondContact O-N 3.49Å; P174-T177 PolarHBondContact O-OG1 3.31Å; T177-R179 VanDerWaalsContact C-N 3.26Å; T177-R179 PolarHBondContact O-N 3.32Å; T177-G180 PolarHBondContact O-N 3.25Å; T177-L220 HydrophobicContact CG2-CD2 4.31Å; T177-F223 HydrophobicContact CG2-CD1 4.17Å; T177-F223 HydrophobicContact CG2-CD2 4.05Å; T177-F223 HydrophobicContact CG2-CE1 4.13Å; T177-F223 HydrophobicContact CG2-CE2 4Å; T177-F223 HydrophobicContact CG2-CG 4.14Å; T177-F223 HydrophobicContact CG2-CZ 4.05Å; T177-I226 HydrophobicContact CG2-CD1 3.61Å
178Q97.7Very high98.3Very high167 Ų16741.4 Ų41.478%0.7820%0.204SC*.Hα-helixtrans-60.7-37.1175.9-172.9-179.525.500112.1P174 G180P174-Q178 PolarHBondContact O-N 3.21Å; Q178-G180 VanDerWaalsContact C-N 3.3Å
179R97.1Very high98.2Very high71 Ų7142 Ų4227%0.26821%0.208SC..Hα-helixtrans-81.1-11177.8-163.7171.862.7142.27.2113.4H130 I131 D132 H175 M176 T177 R181H130-R179 PolarHBondContact CD2-NH1 3.07Å; I131-R179 PolarHBondContact O-NH2 3.18Å; D132-R179 IonicContact OD1-CZ 3.25Å; D132-R179 VanDerWaalsContact OD1-CZ 3.25Å; D132-R179 IonicContact OD1-NH1 2.7Å; D132-R179 PolarHBondContact OD1-NH1 3.45Å; D132-R179 IonicContact OD1-NH2 2.91Å; D132-R179 PolarHBondContact OD1-NH2 2.81Å; H175-R179 WeakPolarHBondContact O-CB 3.21Å; H175-R179 PolarHBondContact O-N 3.46Å; H175-R179 VanDerWaalsContact O-N 3.12Å; M176-R179 PolarHBondContact O-N 3.19Å; T177-R179 VanDerWaalsContact C-N 3.26Å; T177-R179 PolarHBondContact O-N 3.32Å; R179-R181 HydrophobicContact CG-CG 4.19Å; R179-R181 PolarHBondContact NE-O 3.25Å; R179-R181 PolarHBondContact NH2-O 3.11Å; R179-R181 VanDerWaalsContact NH2-O 3.1Å; R179-R181 PolarHBondContact O-N 2.89Å
180G97.8Very high97.9Very high31 Ų3142 Ų4232%0.3221%0.208SC..THydrogen-bonded Turntrans64.920.1-176.800000114.5M176 T177 Q178 N225M176-G180 PolarHBondContact O-N 3.45Å; T177-G180 PolarHBondContact O-N 3.25Å; Q178-G180 VanDerWaalsContact C-N 3.3Å; G180-N225 VanDerWaalsContact O-CB 3.26Å; G180-N225 WeakPolarHBondContact O-CB 3.26Å
181R98.2Very high97.6Very high154 Ų15435.4 Ų35.458%0.58118%0.181SC*.  trans-162.7147.3176.160.5176.4137.2163.9-4.7113.1M176 R179 N225M176-R181 PolarHBondContact O-N 3.08Å; M176-R181 VanDerWaalsContact O-N 3.12Å; R179-R181 HydrophobicContact CG-CG 4.19Å; R179-R181 PolarHBondContact NE-O 3.25Å; R179-R181 PolarHBondContact NH2-O 3.11Å; R179-R181 VanDerWaalsContact NH2-O 3.1Å; R179-R181 PolarHBondContact O-N 2.89Å; R181-N225 WeakPolarHBondContact CA-O 3.43Å; R181-N225 HydrophobicContact CB-CB 4.18Å
182G98.4Very high97.2Very high11 Ų1132.9 Ų32.911%0.11317%0.17CC..EExtended strand (participates in β ladder)trans168.6176.2173.200000112.3D132 N225 I226 L227D132-G182 CarbonylContact O-C 3.6Å; D132-G182 WeakPolarHBondContact O-CA 3.43Å; G182-N225 PolarHBondContact N-O 2.87Å; G182-I226 VanDerWaalsContact O-CA 3.3Å; G182-I226 WeakPolarHBondContact O-CA 3.2Å; G182-L227 PolarHBondContact O-N 2.97Å
183S98.7Very high96.9Very high10 Ų1034 Ų347%0.0718%0.175CC..EExtended strand (participates in β ladder)trans-140.1129.7175.3-174.80000110.6D132 V133 L134 M176 L227D132-S183 PolarHBondContact O-N 2.99Å; V133-S183 CarbonylContact C-O 3.55Å; V133-S183 VanDerWaalsContact CA-O 3.28Å; V133-S183 WeakPolarHBondContact CA-O 3.37Å; L134-S183 PolarHBondContact N-O 3.31Å; M176-S183 WeakPolarHBondContact CE-O 3.47Å; S183-L227 CarbonylContact C-O 3.49Å; S183-L227 WeakPolarHBondContact CA-O 3.2Å
184V98.9Very high96.5Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-109.9117.7169.5-176.60000108L134 T169 M176 F213 L227 I228 S229L134-V184 HydrophobicContact CD2-CG1 4.37Å; T169-V184 HydrophobicContact CG2-CG1 4.14Å; T169-V184 HydrophobicContact CG2-CG2 4.38Å; M176-V184 HydrophobicContact CE-CG2 4.47Å; M176-V184 HydrophobicContact SD-CG2 3.94Å; V184-F213 HydrophobicContact CG1-CD1 4.47Å; V184-F213 HydrophobicContact CG1-CE1 3.78Å; V184-L227 PolarHBondContact N-O 2.98Å; V184-I228 HydrophobicContact CB-CD1 3.74Å; V184-I228 HydrophobicContact CG2-CD1 3.98Å; V184-I228 WeakPolarHBondContact O-CA 3.21Å; V184-S229 PolarHBondContact O-N 3.41Å
185V98.9Very high96Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.4116.3-178.6-175.60000107.9V133 L134 I135 N136 S229 V231 I276V133-V185 HydrophobicContact CG1-CG2 3.86Å; L134-V185 PolarHBondContact O-N 2.7Å; I135-V185 CarbonylContact C-O 3.54Å; I135-V185 WeakPolarHBondContact CA-O 3.41Å; I135-V185 HydrophobicContact CG1-CB 4.26Å; I135-V185 HydrophobicContact CG2-CB 4.48Å; N136-V185 PolarHBondContact N-O 3.32Å; V185-S229 CarbonylContact C-O 3.54Å; V185-S229 WeakPolarHBondContact CA-O 3.48Å; V185-V231 HydrophobicContact CG1-CG2 3.64Å; V185-I276 HydrophobicContact CB-CD1 4.49Å; V185-I276 HydrophobicContact CG1-CD1 4.05Å; V185-I276 HydrophobicContact CG1-CG1 4.09Å; V185-I276 HydrophobicContact CG2-CD1 4.02Å; V185-I276 HydrophobicContact CG2-CG1 3.78Å; V185-I276 HydrophobicContact CG2-CG2 4.38Å
186T98.8Very high95.5Very high1 Ų128.5 Ų28.51%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-111.8119.3-177.1-63.50000110.7N136 T165 S188 L209 F213 S229 M230 V231N136-T186 HydrophobicContact CB-CG2 4.29Å; N136-T186 PolarHBondContact ND2-OG1 3.29Å; T165-T186 HydrophobicContact CG2-CG2 4.38Å; T186-S188 PolarHBondContact O-N 3.12Å; T186-L209 HydrophobicContact CG2-CB 4.37Å; T186-L209 HydrophobicContact CG2-CD1 4.13Å; T186-L209 HydrophobicContact CG2-CD2 3.94Å; T186-L209 HydrophobicContact CG2-CG 4.39Å; T186-F213 HydrophobicContact CG2-CD2 3.84Å; T186-F213 HydrophobicContact CG2-CE2 3.69Å; T186-F213 HydrophobicContact CG2-CZ 4.3Å; T186-F213 WeakPolarHBondContact OG1-CE1 3.34Å; T186-F213 WeakPolarHBondContact OG1-CE2 3.44Å; T186-F213 WeakPolarHBondContact OG1-CZ 3.32Å; T186-S229 PolarHBondContact N-O 2.66Å; T186-M230 HydrophobicContact CG2-CE 4.02Å; T186-M230 HydrophobicContact CG2-SD 4.27Å; T186-V231 PolarHBondContact O-N 2.84Å
187V98.5Very high95.1Very high9 Ų930 Ų306%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-81.998.4177-171.60000109.3I135 N136 N137 K206 V231 P233 M272I135-V187 HydrophobicContact CG2-CG2 4.28Å; N136-V187 PolarHBondContact O-N 3.44Å; N137-V187 HydrophobicContact CB-CB 4.27Å; N137-V187 HydrophobicContact CB-CG2 3.76Å; V187-K206 PolarHBondContact O-NZ 2.9Å; V187-V231 HydrophobicContact CG2-CB 4.47Å; V187-P233 HydrophobicContact CG1-CG 3.93Å; V187-M272 HydrophobicContact CG2-CE 3.66Å
188S97Very high94.8Very high3 Ų328.4 Ų28.42%0.02116%0.155CC..  trans-84.1-131169.5-171.80000109.7T186 K206 Q210 V231T186-S188 PolarHBondContact O-N 3.12Å; S188-K206 PolarHBondContact OG-O 3.14Å; S188-K206 VanDerWaalsContact OG-O 3.11Å; S188-Q210 PolarHBondContact OG-NE2 3.31Å; S188-V231 CarbonylContact C-O 3.54Å; S188-V231 WeakPolarHBondContact CA-O 3.27Å; S188-V231 WeakPolarHBondContact CB-O 3.08Å; S188-V231 PolarHBondContact N-O 3.48Å
189S95.6Very high94.6Very high13 Ų1320.7 Ų20.79%0.09112%0.119CC..  trans-166.9161.4170.2-179.70000107.6V191 G192 P233S189-V191 PolarHBondContact O-N 2.98Å; S189-V191 VanDerWaalsContact O-N 3.17Å; S189-V191 PolarHBondContact OG-N 3.28Å; S189-G192 WeakPolarHBondContact O-CA 3.35Å; S189-G192 PolarHBondContact O-N 2.85Å; S189-P233 WeakPolarHBondContact CA-O 3.4Å; S189-P233 PolarHBondContact OG-O 3.33Å; S189-P233 VanDerWaalsContact OG-O 3.08Å
190V92.5Very high94.6Very high3 Ų320 Ų202%0.01812%0.123CC..G310 helixtrans-55.2-26165.4-64.60000112.9G192 L193 A194 C232 P233 Y294V190-G192 PolarHBondContact O-N 3.17Å; V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.35Å; V190-A194 PolarHBondContact O-N 2.84Å; V190-A194 VanDerWaalsContact O-N 3.15Å; V190-C232 HydrophobicContact CG1-CB 4.38Å; V190-C232 WeakPolarHBondContact CG1-O 3.49Å; V190-P233 WeakPolarHBondContact CG2-O 3.37Å; V190-P233 PolarHBondContact N-O 3.15Å; V190-Y294 HydrophobicContact CB-CD1 3.93Å; V190-Y294 HydrophobicContact CB-CD2 3.63Å; V190-Y294 HydrophobicContact CB-CE1 3.64Å; V190-Y294 HydrophobicContact CB-CE2 3.37Å; V190-Y294 HydrophobicContact CB-CG 3.96Å; V190-Y294 HydrophobicContact CG1-CD2 3.79Å; V190-Y294 HydrophobicContact CG1-CE2 3.83Å; V190-Y294 HydrophobicContact CG1-CG 4.34Å; V190-Y294 HydrophobicContact CG2-CD2 4.13Å; V190-Y294 HydrophobicContact CG2-CE1 3.84Å; V190-Y294 HydrophobicContact CG2-CE2 3.33Å; V190-Y294 WeakPolarHBondContact CG2-OH 3.34Å; V190-Y294 WeakPolarHBondContact O-CE1 3.27Å
191V91.8Very high94.5Very high15 Ų1518.9 Ų18.99%0.09111%0.111CC..G310 helixtrans-75.4-5.3173.7-52.80000113.9S189 A194 A196 Y202 S203 H207S189-V191 PolarHBondContact O-N 2.98Å; S189-V191 VanDerWaalsContact O-N 3.17Å; S189-V191 PolarHBondContact OG-N 3.28Å; V191-A194 CarbonylContact C-O 3.24Å; V191-A194 WeakPolarHBondContact CA-O 3.44Å; V191-A196 HydrophobicContact CG1-CB 3.92Å; V191-Y202 HydrophobicContact CG2-CD1 3.52Å; V191-Y202 HydrophobicContact CG2-CE1 3.3Å; V191-S203 WeakPolarHBondContact O-CB 3.49Å; V191-H207 PolarHBondContact O-CE1 3.48Å; V191-H207 PolarHBondContact O-ND1 3.12Å
192G91.8Very high94.5Very high2 Ų212.4 Ų12.42%0.0219%0.087CC..G310 helixtrans-80-3.6164.300000113.5S189 V190 H207 Q210S189-G192 WeakPolarHBondContact O-CA 3.35Å; S189-G192 PolarHBondContact O-N 2.85Å; V190-G192 PolarHBondContact O-N 3.17Å; G192-H207 WeakPolarHBondContact CA-ND1 3.42Å; G192-H207 PolarHBondContact O-CD2 3.35Å; G192-H207 PolarHBondContact O-CE1 3.38Å; G192-H207 VanDerWaalsContact O-CG 3.28Å; G192-H207 PolarHBondContact O-ND1 3.43Å; G192-H207 PolarHBondContact O-NE2 3.07Å; G192-Q210 WeakPolarHBondContact O-CG 3.37Å
193L91.3Very high94.4Very high24 Ų2412.2 Ų12.213%0.1268%0.084CC..THydrogen-bonded Turntrans-113.7-36.2176.3-53.3170.6000111.4V190 Q210 C232 W284 W297V190-L193 WeakPolarHBondContact O-CB 3.24Å; V190-L193 PolarHBondContact O-N 3.35Å; L193-Q210 HydrophobicContact CD2-CG 4.46Å; L193-C232 HydrophobicContact CD1-CB 4.24Å; L193-W284 HydrophobicContact CD1-CD2 3.83Å; L193-W284 HydrophobicContact CD1-CE3 4.39Å; L193-W284 HydrophobicContact CD1-CG 4.29Å; L193-W284 HydrophobicContact CD1-CH2 4.12Å; L193-W284 HydrophobicContact CD1-CZ2 3.54Å; L193-W284 HydrophobicContact CD2-CZ2 4.4Å; L193-W297 VanDerWaalsContact O-CD1 3.32Å; L193-W297 PolarHBondContact O-NE1 3.02Å
194A90.4Very high94.4Very high0 Ų014.2 Ų14.20%010%0.101CC..SBendtrans-137.2132.3177.600000111.6V190 V191 F293 Y294 W297V190-A194 PolarHBondContact O-N 2.84Å; V190-A194 VanDerWaalsContact O-N 3.15Å; V191-A194 CarbonylContact C-O 3.24Å; V191-A194 WeakPolarHBondContact CA-O 3.44Å; A194-F293 HydrophobicContact CB-CE1 4.41Å; A194-Y294 HydrophobicContact CB-CD1 3.66Å; A194-Y294 HydrophobicContact CB-CE1 3.75Å; A194-W297 HydrophobicContact CB-CB 3.98Å; A194-W297 VanDerWaalsContact CB-CD1 3.42Å; A194-W297 HydrophobicContact CB-CD2 3.39Å; A194-W297 HydrophobicContact CB-CE3 4.07Å; A194-W297 HydrophobicContact CB-CG 3.32Å; A194-W297 HydrophobicContact CB-CZ2 4.31Å
195G87.4Confident94.4Very high34 Ų3414.2 Ų14.235%0.35110%0.101SC..  trans-64.2146.8179.300000112.6
196A88.6Confident94.3Very high13 Ų1314.7 Ų14.711%0.10710%0.103CC..  trans-130.9144.5174.300000111.2V191 S199V191-A196 HydrophobicContact CG1-CB 3.92Å; A196-S199 PolarHBondContact O-N 3.13Å; A196-S199 PolarHBondContact O-OG 3.31Å
197P90.6Very high94.3Very high32 Ų3218.4 Ų18.421%0.20812%0.12CC..THydrogen-bonded Turntrans-56.6153.9175.7-25.334.4000112.2S199 R315 V316P197-S199 PolarHBondContact O-N 2.77Å; P197-S199 PolarHBondContact O-OG 2.95Å; P197-R315 PolarHBondContact O-NH1 3.1Å; P197-R315 VanDerWaalsContact O-NH1 3.09Å; P197-R315 PolarHBondContact O-NH2 3.24Å; P197-V316 HydrophobicContact CB-CG2 3.83Å; P197-V316 HydrophobicContact CG-CG2 4.45Å
198L91.4Very high94.3Very high4 Ų419.3 Ų19.32%0.02113%0.128CC..THydrogen-bonded Turntrans69.54.5-179.2-46.6170000115.4Q142 R143 S144 L145 R315 F319 A325Q142-L198 CarbonylContact C-O 3.57Å; R143-L198 VanDerWaalsContact CA-O 3.3Å; R143-L198 WeakPolarHBondContact CA-O 3.5Å; R143-L198 PolarHBondContact N-O 2.91Å; S144-L198 PolarHBondContact N-O 3.46Å; S144-L198 VanDerWaalsContact N-O 3.09Å; S144-L198 CarbonylContact O-C 3.45Å; S144-L198 VanDerWaalsContact O-CA 3.23Å; S144-L198 WeakPolarHBondContact O-CA 3.46Å; L145-L198 HydrophobicContact CD2-CD2 3.58Å; L145-L198 HydrophobicContact CG-CD2 3.8Å; L198-R315 HydrophobicContact CD1-CG 4.11Å; L198-F319 HydrophobicContact CD1-CB 3.73Å; L198-F319 HydrophobicContact CD1-CD2 3.7Å; L198-F319 HydrophobicContact CD1-CE2 4.45Å; L198-F319 HydrophobicContact CD1-CG 3.73Å; L198-F319 HydrophobicContact CD2-CB 4.1Å; L198-F319 HydrophobicContact CD2-CD1 3.55Å; L198-F319 HydrophobicContact CD2-CD2 4.08Å; L198-F319 HydrophobicContact CD2-CE1 3.93Å; L198-F319 HydrophobicContact CD2-CE2 4.4Å; L198-F319 HydrophobicContact CD2-CG 3.63Å; L198-F319 HydrophobicContact CD2-CZ 4.33Å; L198-F319 HydrophobicContact CG-CG 4.33Å; L198-A325 HydrophobicContact CD1-CB 3.55Å
199S93.8Very high94.3Very high4 Ų419.2 Ų19.23%0.02813%0.127CC..  trans-139.839-172.648.10000112.6A196 P197 Y202 S203A196-S199 PolarHBondContact O-N 3.13Å; A196-S199 PolarHBondContact O-OG 3.31Å; P197-S199 PolarHBondContact O-N 2.77Å; P197-S199 PolarHBondContact O-OG 2.95Å; S199-Y202 PolarHBondContact O-N 2.84Å; S199-S203 WeakPolarHBondContact O-CB 3.31Å; S199-S203 PolarHBondContact O-N 3.15Å; S199-S203 PolarHBondContact O-OG 2.97Å
200T96.2Very high94.4Very high58 Ų5819.1 Ų19.136%0.35613%0.126SC..Hα-helixtrans-59.5-54-176.145.70000112.7F146 Y154 A204F146-T200 HydrophobicContact CB-CG2 4.29Å; Y154-T200 PolarHBondContact OH-OG1 2.96Å; Y154-T200 VanDerWaalsContact OH-OG1 3.12Å; T200-A204 WeakPolarHBondContact O-CB 3.34Å; T200-A204 PolarHBondContact O-N 3.13Å
201G96.8Very high94.7Very high6 Ų620.9 Ų20.96%0.06214%0.144CC..Hα-helixtrans-68.8-38.217700000112.9Q142 A204 S205Q142-G201 VanDerWaalsContact OE1-CA 3.29Å; G201-A204 PolarHBondContact O-N 2.92Å; G201-S205 PolarHBondContact O-N 3.43Å
202Y97.1Very high95Very high19 Ų1923.6 Ų23.68%0.07516%0.155CC..Hα-helixtrans-62.2-48.6175.3177.4-115.6000111.4R140 V191 S199 A204 S205 K206R140-Y202 VanDerWaalsContact O-CD2 3.27Å; R140-Y202 WeakPolarHBondContact O-CD2 2.92Å; R140-Y202 WeakPolarHBondContact O-CE2 3.32Å; V191-Y202 HydrophobicContact CG2-CD1 3.52Å; V191-Y202 HydrophobicContact CG2-CE1 3.3Å; S199-Y202 PolarHBondContact O-N 2.84Å; Y202-A204 VanDerWaalsContact C-N 3.31Å; Y202-A204 PolarHBondContact O-N 2.9Å; Y202-S205 PolarHBondContact O-N 3.01Å; Y202-S205 PolarHBondContact O-OG 2.85Å; Y202-K206 HydrophobicContact CD2-CG 4.2Å; Y202-K206 HydrophobicContact CE1-CG 4.19Å; Y202-K206 HydrophobicContact CE2-CD 4.08Å; Y202-K206 HydrophobicContact CE2-CG 3.79Å; Y202-K206 WeakPolarHBondContact O-CG 3.47Å; Y202-K206 PolarHBondContact O-N 3.46Å; Y202-K206 VanDerWaalsContact OH-CE 3.27Å; Y202-K206 WeakPolarHBondContact OH-CE 3.35Å
203S96.9Very high95.3Very high7 Ų723.5 Ų23.55%0.04915%0.154CC..Hα-helixtrans-59.4-43.3176.6-53.90000110.8V191 S199 S205 K206 H207V191-S203 WeakPolarHBondContact O-CB 3.49Å; S199-S203 WeakPolarHBondContact O-CB 3.31Å; S199-S203 PolarHBondContact O-N 3.15Å; S199-S203 PolarHBondContact O-OG 2.97Å; S203-S205 PolarHBondContact O-N 2.75Å; S203-K206 PolarHBondContact O-N 3.06Å; S203-H207 PolarHBondContact O-N 2.88Å; S203-H207 PolarHBondContact O-ND1 3.42Å
204A97.9Very high95.6Very high52 Ų5224.8 Ų24.843%0.4316%0.161SC..Hα-helixtrans-58.2-48.4175.400000111.9T200 G201 Y202 K206 H207 A208T200-A204 WeakPolarHBondContact O-CB 3.34Å; T200-A204 PolarHBondContact O-N 3.13Å; G201-A204 PolarHBondContact O-N 2.92Å; Y202-A204 VanDerWaalsContact C-N 3.31Å; Y202-A204 PolarHBondContact O-N 2.9Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 3.16Å; A204-H207 PolarHBondContact O-N 3.05Å; A204-A208 PolarHBondContact O-N 2.89Å
205S98.3Very high96Very high0 Ų027.7 Ų27.70%018%0.181CC..Hα-helixtrans-61.9-36177.875.30000113M158 N161 G201 Y202 S203 A208 L209M158-S205 VanDerWaalsContact SD-CA 3.57Å; N161-S205 PolarHBondContact ND2-OG 3.05Å; G201-S205 PolarHBondContact O-N 3.43Å; Y202-S205 PolarHBondContact O-N 3.01Å; Y202-S205 PolarHBondContact O-OG 2.85Å; S203-S205 PolarHBondContact O-N 2.75Å; S205-A208 PolarHBondContact O-N 3.4Å; S205-L209 PolarHBondContact O-N 3.38Å; S205-L209 VanDerWaalsContact O-N 3.16Å
206K97.8Very high96.5Very high10 Ų1026.9 Ų26.94%0.04317%0.169CC..Hα-helixtrans-75.2-33.2177.9-66.8-48.6-165.8173.80112.8V187 S188 Y202 S203 A204 L209 Q210V187-K206 PolarHBondContact O-NZ 2.9Å; S188-K206 PolarHBondContact OG-O 3.14Å; S188-K206 VanDerWaalsContact OG-O 3.11Å; Y202-K206 HydrophobicContact CD2-CG 4.2Å; Y202-K206 HydrophobicContact CE1-CG 4.19Å; Y202-K206 HydrophobicContact CE2-CD 4.08Å; Y202-K206 HydrophobicContact CE2-CG 3.79Å; Y202-K206 WeakPolarHBondContact O-CG 3.47Å; Y202-K206 PolarHBondContact O-N 3.46Å; Y202-K206 VanDerWaalsContact OH-CE 3.27Å; Y202-K206 WeakPolarHBondContact OH-CE 3.35Å; S203-K206 PolarHBondContact O-N 3.06Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 3.16Å; K206-L209 HydrophobicContact CD-CD1 3.79Å; K206-Q210 WeakPolarHBondContact O-CG 3.25Å; K206-Q210 PolarHBondContact O-N 2.98Å
207H98.1Very high96.8Very high78 Ų7828.8 Ų28.836%0.36117%0.173SC..Hα-helixtrans-67.3-38.6168.9-77.477.5000111.6V191 G192 S203 A204 L209 Q210 G211V191-H207 PolarHBondContact O-CE1 3.48Å; V191-H207 PolarHBondContact O-ND1 3.12Å; G192-H207 WeakPolarHBondContact CA-ND1 3.42Å; G192-H207 PolarHBondContact O-CD2 3.35Å; G192-H207 PolarHBondContact O-CE1 3.38Å; G192-H207 VanDerWaalsContact O-CG 3.28Å; G192-H207 PolarHBondContact O-ND1 3.43Å; G192-H207 PolarHBondContact O-NE2 3.07Å; S203-H207 PolarHBondContact O-N 2.88Å; S203-H207 PolarHBondContact O-ND1 3.42Å; A204-H207 PolarHBondContact O-N 3.05Å; H207-L209 VanDerWaalsContact C-N 3.31Å; H207-L209 PolarHBondContact O-N 2.97Å; H207-Q210 WeakPolarHBondContact O-CB 3.42Å; H207-Q210 PolarHBondContact O-N 3.01Å; H207-Q210 VanDerWaalsContact O-N 3.1Å; H207-G211 PolarHBondContact O-N 3.08Å
208A98.6Very high97.1Very high28 Ų2832.1 Ų32.123%0.23119%0.193CC..Hα-helixtrans-59.9-41.8175.700000111.7M158 F162 A204 S205 Q210 G211 F212M158-A208 HydrophobicContact CE-CB 3.87Å; F162-A208 HydrophobicContact CB-CB 4.48Å; F162-A208 HydrophobicContact CD1-CB 4.29Å; F162-A208 HydrophobicContact CD2-CB 3.77Å; F162-A208 HydrophobicContact CE2-CB 4.04Å; F162-A208 WeakPolarHBondContact CE2-O 2.89Å; F162-A208 HydrophobicContact CG-CB 3.91Å; F162-A208 HydrophobicContact CZ-CB 4.4Å; A204-A208 PolarHBondContact O-N 2.89Å; S205-A208 PolarHBondContact O-N 3.4Å; A208-Q210 PolarHBondContact O-N 3.19Å; A208-G211 PolarHBondContact O-N 3.41Å; A208-F212 VanDerWaalsContact O-CB 3.29Å; A208-F212 WeakPolarHBondContact O-CB 3.48Å; A208-F212 PolarHBondContact O-N 3.15Å
209L98.5Very high97.4Very high1 Ų138.4 Ų38.41%0.00522%0.222CC..Hα-helixtrans-59.1-45.4171.5-70.8172.1000112N161 F162 T165 T186 S205 K206 H207 F212 F213 M230N161-L209 WeakPolarHBondContact O-CD2 3.49Å; F162-L209 HydrophobicContact CD2-CD2 3.94Å; F162-L209 HydrophobicContact CD2-CG 4.27Å; T165-L209 HydrophobicContact CG2-CD2 3.84Å; T186-L209 HydrophobicContact CG2-CB 4.37Å; T186-L209 HydrophobicContact CG2-CD1 4.13Å; T186-L209 HydrophobicContact CG2-CD2 3.94Å; T186-L209 HydrophobicContact CG2-CG 4.39Å; S205-L209 PolarHBondContact O-N 3.38Å; S205-L209 VanDerWaalsContact O-N 3.16Å; K206-L209 HydrophobicContact CD-CD1 3.79Å; H207-L209 VanDerWaalsContact C-N 3.31Å; H207-L209 PolarHBondContact O-N 2.97Å; L209-F212 PolarHBondContact O-N 3.19Å; L209-F213 HydrophobicContact CD2-CD2 4.13Å; L209-F213 HydrophobicContact CD2-CE2 3.71Å; L209-F213 WeakPolarHBondContact O-CB 3.41Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 PolarHBondContact O-N 2.87Å; L209-M230 HydrophobicContact CB-CE 4.2Å
210Q97.4Very high97.5Very high12 Ų1239.1 Ų39.16%0.05623%0.226CC..Hα-helixtrans-58.7-52.5177.7-65.8-62.9-4.600111.7S188 G192 L193 K206 H207 A208 F212 N214 M230 C232S188-Q210 PolarHBondContact OG-NE2 3.31Å; G192-Q210 WeakPolarHBondContact O-CG 3.37Å; L193-Q210 HydrophobicContact CD2-CG 4.46Å; K206-Q210 WeakPolarHBondContact O-CG 3.25Å; K206-Q210 PolarHBondContact O-N 2.98Å; H207-Q210 WeakPolarHBondContact O-CB 3.42Å; H207-Q210 PolarHBondContact O-N 3.01Å; H207-Q210 VanDerWaalsContact O-N 3.1Å; A208-Q210 PolarHBondContact O-N 3.19Å; Q210-F212 PolarHBondContact O-N 2.99Å; Q210-N214 WeakPolarHBondContact O-CB 3.42Å; Q210-N214 PolarHBondContact O-N 3.39Å; Q210-N214 PolarHBondContact O-ND2 3.28Å; Q210-M230 HydrophobicContact CG-CE 4.45Å; Q210-C232 PolarHBondContact NE2-SG 3.05Å
211G98.1Very high97.4Very high40 Ų4041.5 Ų41.541%0.41224%0.24SC..Hα-helixtrans-59.7-46-179.500000112.4H207 A208 S215H207-G211 PolarHBondContact O-N 3.08Å; A208-G211 PolarHBondContact O-N 3.41Å; G211-S215 WeakPolarHBondContact O-CB 3.24Å; G211-S215 PolarHBondContact O-N 3.12Å; G211-S215 VanDerWaalsContact O-N 3.14Å; G211-S215 PolarHBondContact O-OG 3.19Å
212F98.6Very high97.4Very high72 Ų7247.8 Ų47.832%0.31627%0.273SS..Hα-helixtrans-65-54-178.6-177.9-86.8000112.4F162 V166 A208 L209 Q210 N214 S215 L216F162-F212 HydrophobicContact CE2-CB 3.56Å; F162-F212 HydrophobicContact CE2-CD2 4.16Å; F162-F212 AromaticContact CE2-CG 3.89Å; F162-F212 HydrophobicContact CE2-CG 3.89Å; F162-F212 HydrophobicContact CZ-CB 4.04Å; F162-F212 AromaticContact CZ-CD2 3.97Å; F162-F212 HydrophobicContact CZ-CD2 3.97Å; F162-F212 HydrophobicContact CZ-CG 4.18Å; V166-F212 HydrophobicContact CB-CE1 4.41Å; V166-F212 HydrophobicContact CB-CZ 4.24Å; V166-F212 HydrophobicContact CG1-CE1 4.09Å; V166-F212 HydrophobicContact CG1-CE2 3.78Å; V166-F212 HydrophobicContact CG1-CZ 3.48Å; V166-F212 VanDerWaalsContact CG1-CZ 3.48Å; V166-F212 HydrophobicContact CG2-CD1 3.8Å; V166-F212 HydrophobicContact CG2-CD2 4.05Å; V166-F212 HydrophobicContact CG2-CE1 3.73Å; V166-F212 HydrophobicContact CG2-CE2 3.97Å; V166-F212 HydrophobicContact CG2-CG 3.98Å; V166-F212 HydrophobicContact CG2-CZ 3.83Å; A208-F212 VanDerWaalsContact O-CB 3.29Å; A208-F212 WeakPolarHBondContact O-CB 3.48Å; A208-F212 PolarHBondContact O-N 3.15Å; L209-F212 PolarHBondContact O-N 3.19Å; Q210-F212 PolarHBondContact O-N 2.99Å; F212-N214 PolarHBondContact O-N 2.69Å; F212-S215 PolarHBondContact O-N 3.06Å; F212-L216 HydrophobicContact CE1-CD2 4.16Å; F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 PolarHBondContact O-N 2.88Å
213F98.4Very high97.4Very high0 Ų050.2 Ų50.20%028%0.284CS..Hα-helixtrans-73.4-28.3-174.8-79.4-80.3000112.8T165 T169 V184 T186 L209 L216 R217 I228 M230T165-F213 HydrophobicContact CG2-CE2 3.84Å; T165-F213 HydrophobicContact CG2-CZ 3.86Å; T169-F213 HydrophobicContact CG2-CE1 3.93Å; T169-F213 HydrophobicContact CG2-CZ 4.37Å; V184-F213 HydrophobicContact CG1-CD1 4.47Å; V184-F213 HydrophobicContact CG1-CE1 3.78Å; T186-F213 HydrophobicContact CG2-CD2 3.84Å; T186-F213 HydrophobicContact CG2-CE2 3.69Å; T186-F213 HydrophobicContact CG2-CZ 4.3Å; T186-F213 WeakPolarHBondContact OG1-CE1 3.34Å; T186-F213 WeakPolarHBondContact OG1-CE2 3.44Å; T186-F213 WeakPolarHBondContact OG1-CZ 3.32Å; L209-F213 HydrophobicContact CD2-CD2 4.13Å; L209-F213 HydrophobicContact CD2-CE2 3.71Å; L209-F213 WeakPolarHBondContact O-CB 3.41Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 PolarHBondContact O-N 2.87Å; F213-L216 HydrophobicContact CD1-CD2 4.08Å; F213-L216 HydrophobicContact CE1-CD2 4.23Å; F213-R217 WeakPolarHBondContact O-CB 3.3Å; F213-R217 PolarHBondContact O-N 3.2Å; F213-I228 HydrophobicContact CB-CG2 3.98Å; F213-I228 HydrophobicContact CD1-CG2 3.82Å; F213-I228 HydrophobicContact CG-CG2 4.38Å; F213-M230 HydrophobicContact CB-CE 4.4Å; F213-M230 HydrophobicContact CB-SD 3.41Å; F213-M230 WeakPolarHBondContact CB-SD 3.41Å; F213-M230 HydrophobicContact CD2-SD 4.3Å; F213-M230 HydrophobicContact CG-SD 3.98Å
214N96.6Very high97.3Very high51 Ų5154.9 Ų54.927%0.27331%0.314SS..Hα-helixtrans-67.2-37.9170.7-73.2-23000111.8Q210 F212 R217Q210-N214 WeakPolarHBondContact O-CB 3.42Å; Q210-N214 PolarHBondContact O-N 3.39Å; Q210-N214 PolarHBondContact O-ND2 3.28Å; F212-N214 PolarHBondContact O-N 2.69Å; N214-R217 PolarHBondContact OD1-NH1 2.66Å; N214-R217 PolarHBondContact OD1-NH2 2.92Å
215S98.1Very high97.3Very high60 Ų6057.7 Ų57.742%0.4232%0.321SS..Hα-helixtrans-68.1-48.1174.4-53.90000111.2G211 F212 R217 T218 E219G211-S215 WeakPolarHBondContact O-CB 3.24Å; G211-S215 PolarHBondContact O-N 3.12Å; G211-S215 VanDerWaalsContact O-N 3.14Å; G211-S215 PolarHBondContact O-OG 3.19Å; F212-S215 PolarHBondContact O-N 3.06Å; S215-R217 VanDerWaalsContact C-N 3.26Å; S215-R217 PolarHBondContact O-N 3.09Å; S215-T218 PolarHBondContact O-N 3.24Å; S215-T218 PolarHBondContact O-OG1 3.43Å; S215-E219 PolarHBondContact O-N 3.22Å
216L97.9Very high97.3Very high18 Ų1858.2 Ų58.29%0.09432%0.324CS..Hα-helixtrans-55.6-40.8177.3178.761.8000112.2T169 L173 F212 F213 T218 E219 L220 I228T169-L216 HydrophobicContact CG2-CD2 4.26Å; L173-L216 HydrophobicContact CD2-CD1 3.88Å; L173-L216 HydrophobicContact CD2-CD2 4.19Å; L173-L216 HydrophobicContact CD2-CG 4.47Å; F212-L216 HydrophobicContact CE1-CD2 4.16Å; F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 PolarHBondContact O-N 2.88Å; F213-L216 HydrophobicContact CD1-CD2 4.08Å; F213-L216 HydrophobicContact CE1-CD2 4.23Å; L216-T218 PolarHBondContact O-N 3.39Å; L216-E219 PolarHBondContact O-N 2.98Å; L216-E219 VanDerWaalsContact O-N 3.1Å; L216-L220 HydrophobicContact CD1-CD1 4.46Å; L216-L220 HydrophobicContact CD1-CG 4.49Å; L216-L220 HydrophobicContact CG-CD1 4.31Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 2.82Å; L216-I228 HydrophobicContact CD2-CD1 4.32Å
217R96.3Very high97.3Very high53 Ų5360.9 Ų60.920%0.234%0.339CS..Hα-helixtrans-55.9-39.2176.5-172.2-172.1-63.8122.1-0.4112F213 N214 S215 E219 I228 K281F213-R217 WeakPolarHBondContact O-CB 3.3Å; F213-R217 PolarHBondContact O-N 3.2Å; N214-R217 PolarHBondContact OD1-NH1 2.66Å; N214-R217 PolarHBondContact OD1-NH2 2.92Å; S215-R217 VanDerWaalsContact C-N 3.26Å; S215-R217 PolarHBondContact O-N 3.09Å; R217-E219 VanDerWaalsContact C-N 3.35Å; R217-I228 HydrophobicContact CB-CB 3.94Å; R217-I228 HydrophobicContact CB-CG1 4.19Å; R217-I228 HydrophobicContact CB-CG2 4.35Å; R217-I228 HydrophobicContact CG-CB 4.08Å; R217-I228 HydrophobicContact CG-CG1 4.44Å; R217-I228 VanDerWaalsContact CZ-O 3.28Å; R217-I228 PolarHBondContact NE-O 2.77Å; R217-I228 PolarHBondContact NH2-O 2.97Å; R217-K281 PolarHBondContact NH2-O 3.28Å
218T95.9Very high97.3Very high101 Ų10157.4 Ų57.462%0.6232%0.323SS*.Hα-helixtrans-77.8-19.9-179.662.60000113.6S215 L216 L220 T221S215-T218 PolarHBondContact O-N 3.24Å; S215-T218 PolarHBondContact O-OG1 3.43Å; L216-T218 PolarHBondContact O-N 3.39Å; T218-L220 VanDerWaalsContact C-N 3.35Å; T218-T221 WeakPolarHBondContact O-CG2 3.49Å
219E97.3Very high97.3Very high137 Ų13756.1 Ų56.164%0.6431%0.312SS*.Hα-helixtrans-76.2-24.5175.1-67.1171.4-153.200112.1S215 L216 R217 T221S215-E219 PolarHBondContact O-N 3.22Å; L216-E219 PolarHBondContact O-N 2.98Å; L216-E219 VanDerWaalsContact O-N 3.1Å; R217-E219 VanDerWaalsContact C-N 3.35Å; E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 3.34Å
220L96.3Very high97.3Very high18 Ų1856.1 Ų56.19%0.09431%0.312CS..THydrogen-bonded Turntrans-87.628-175.5-65173.1000114.5L173 T177 L216 T218 D222 F223 I226 I228L173-L220 HydrophobicContact CD1-CD1 4.03Å; L173-L220 HydrophobicContact CD1-CD2 4.45Å; L173-L220 HydrophobicContact CD2-CD1 4.36Å; L173-L220 HydrophobicContact CD2-CD2 4.28Å; T177-L220 HydrophobicContact CG2-CD2 4.31Å; L216-L220 HydrophobicContact CD1-CD1 4.46Å; L216-L220 HydrophobicContact CD1-CG 4.49Å; L216-L220 HydrophobicContact CG-CD1 4.31Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 2.82Å; T218-L220 VanDerWaalsContact C-N 3.35Å; L220-D222 VanDerWaalsContact C-N 3.26Å; L220-D222 PolarHBondContact O-N 3.32Å; L220-F223 HydrophobicContact CD2-CD2 3.99Å; L220-F223 CarbonylContact O-C 3.58Å; L220-F223 PolarHBondContact O-N 3.14Å; L220-I226 HydrophobicContact CD1-CG2 3.96Å; L220-I228 HydrophobicContact CD1-CD1 3.81Å; L220-I228 HydrophobicContact CD1-CG1 3.85Å
221T93.6Very high97.4Very high109 Ų10955.5 Ų55.567%0.66931%0.309SS*.THydrogen-bonded Turntrans-60.6-33.4-176.945.70000113.6T218 E219 F223T218-T221 WeakPolarHBondContact O-CG2 3.49Å; E219-T221 VanDerWaalsContact C-N 3.28Å; E219-T221 PolarHBondContact O-N 3.34Å; T221-F223 PolarHBondContact O-N 3.02Å
222D97Very high97.4Very high138 Ų13853.6 Ų53.674%0.73829%0.289SS*.THydrogen-bonded Turntrans-71-9.2175.2-65.5-29.9000113.5L220 P224L220-D222 VanDerWaalsContact C-N 3.26Å; L220-D222 PolarHBondContact O-N 3.32Å; D222-P224 VanDerWaalsContact C-CD 3.46Å; D222-P224 WeakPolarHBondContact O-CD 3.44Å
223F97.6Very high97.3Very high70 Ų7050.5 Ų50.531%0.30728%0.277SS..  trans-122.767.2-177.2-54.3-80.8000111.6T177 L220 T221 N225 I226T177-F223 HydrophobicContact CG2-CD1 4.17Å; T177-F223 HydrophobicContact CG2-CD2 4.05Å; T177-F223 HydrophobicContact CG2-CE1 4.13Å; T177-F223 HydrophobicContact CG2-CE2 4Å; T177-F223 HydrophobicContact CG2-CG 4.14Å; T177-F223 HydrophobicContact CG2-CZ 4.05Å; L220-F223 HydrophobicContact CD2-CD2 3.99Å; L220-F223 CarbonylContact O-C 3.58Å; L220-F223 PolarHBondContact O-N 3.14Å; T221-F223 PolarHBondContact O-N 3.02Å; F223-N225 PolarHBondContact O-N 3.35Å; F223-I226 HydrophobicContact CB-CB 4.25Å; F223-I226 HydrophobicContact CB-CD1 3.66Å; F223-I226 HydrophobicContact CB-CG1 3.94Å; F223-I226 HydrophobicContact CD1-CD1 4.34Å; F223-I226 HydrophobicContact CG-CD1 4.06Å; F223-I226 PolarHBondContact O-N 3.01Å
224P95Very high97.1Very high104 Ų10451.1 Ų51.168%0.67528%0.283SS*.THydrogen-bonded Turntrans-63-17.3-17125.4-36.2000114.8D222D222-P224 VanDerWaalsContact C-CD 3.46Å; D222-P224 WeakPolarHBondContact O-CD 3.44Å
225N97.5Very high96.8Very high111 Ų11150.1 Ų50.159%0.59428%0.279SS*.THydrogen-bonded Turntrans-958177.7-62-42.8000113.2G180 R181 G182 F223G180-N225 VanDerWaalsContact O-CB 3.26Å; G180-N225 WeakPolarHBondContact O-CB 3.26Å; R181-N225 WeakPolarHBondContact CA-O 3.43Å; R181-N225 HydrophobicContact CB-CB 4.18Å; G182-N225 PolarHBondContact N-O 2.87Å; F223-N225 PolarHBondContact O-N 3.35Å
226I98.3Very high96.6Very high12 Ų1247.7 Ų47.76%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-100.9118.3170.6-60-179.8000108.7L173 M176 T177 G182 L220 F223 I228L173-I226 HydrophobicContact CD1-CG2 4.05Å; M176-I226 HydrophobicContact CB-CD1 3.99Å; M176-I226 HydrophobicContact CB-CG1 4.48Å; T177-I226 HydrophobicContact CG2-CD1 3.61Å; G182-I226 VanDerWaalsContact O-CA 3.3Å; G182-I226 WeakPolarHBondContact O-CA 3.2Å; L220-I226 HydrophobicContact CD1-CG2 3.96Å; F223-I226 HydrophobicContact CB-CB 4.25Å; F223-I226 HydrophobicContact CB-CD1 3.66Å; F223-I226 HydrophobicContact CB-CG1 3.94Å; F223-I226 HydrophobicContact CD1-CD1 4.34Å; F223-I226 HydrophobicContact CG-CD1 4.06Å; F223-I226 PolarHBondContact O-N 3.01Å; I226-I228 HydrophobicContact CG2-CD1 4.46Å
227L98.2Very high96.3Very high66 Ų6650 Ų5035%0.34627%0.272SS..EExtended strand (participates in β ladder)trans-100.7132.9-177.4-58.1177.3000110.2G182 S183 V184G182-L227 PolarHBondContact O-N 2.97Å; S183-L227 CarbonylContact C-O 3.49Å; S183-L227 WeakPolarHBondContact CA-O 3.2Å; V184-L227 PolarHBondContact N-O 2.98Å
228I98.5Very high95.9Very high5 Ų548.7 Ų48.73%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-113.6112.2169.6-53-60.4000107.8V184 F213 L216 R217 L220 I226V184-I228 HydrophobicContact CB-CD1 3.74Å; V184-I228 HydrophobicContact CG2-CD1 3.98Å; V184-I228 WeakPolarHBondContact O-CA 3.21Å; F213-I228 HydrophobicContact CB-CG2 3.98Å; F213-I228 HydrophobicContact CD1-CG2 3.82Å; F213-I228 HydrophobicContact CG-CG2 4.38Å; L216-I228 HydrophobicContact CD2-CD1 4.32Å; R217-I228 HydrophobicContact CB-CB 3.94Å; R217-I228 HydrophobicContact CB-CG1 4.19Å; R217-I228 HydrophobicContact CB-CG2 4.35Å; R217-I228 HydrophobicContact CG-CB 4.08Å; R217-I228 HydrophobicContact CG-CG1 4.44Å; R217-I228 VanDerWaalsContact CZ-O 3.28Å; R217-I228 PolarHBondContact NE-O 2.77Å; R217-I228 PolarHBondContact NH2-O 2.97Å; L220-I228 HydrophobicContact CD1-CD1 3.81Å; L220-I228 HydrophobicContact CD1-CG1 3.85Å; I226-I228 HydrophobicContact CG2-CD1 4.46Å
229S98.4Very high95.3Very high1 Ų148 Ų481%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-116.8134.1-175.9-71.20000111.5V184 V185 T186 V280 K281V184-S229 PolarHBondContact O-N 3.41Å; V185-S229 CarbonylContact C-O 3.54Å; V185-S229 WeakPolarHBondContact CA-O 3.48Å; T186-S229 PolarHBondContact N-O 2.66Å; S229-V280 WeakPolarHBondContact CB-O 3.37Å; S229-V280 PolarHBondContact OG-O 3.09Å; S229-K281 CarbonylContact C-O 3.41Å; S229-K281 VanDerWaalsContact CA-O 3.31Å; S229-K281 WeakPolarHBondContact CA-O 3.45Å
230M98.5Very high94.7Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-103.9130.6174.6-64.3-54.8-67.300109.7T186 L209 Q210 F213 K281 E282 M283T186-M230 HydrophobicContact CG2-CE 4.02Å; T186-M230 HydrophobicContact CG2-SD 4.27Å; L209-M230 HydrophobicContact CB-CE 4.2Å; Q210-M230 HydrophobicContact CG-CE 4.45Å; F213-M230 HydrophobicContact CB-CE 4.4Å; F213-M230 HydrophobicContact CB-SD 3.41Å; F213-M230 WeakPolarHBondContact CB-SD 3.41Å; F213-M230 HydrophobicContact CD2-SD 4.3Å; F213-M230 HydrophobicContact CG-SD 3.98Å; M230-K281 PolarHBondContact N-O 2.8Å; M230-E282 HydrophobicContact CB-CG 4.16Å; M230-E282 CarbonylContact O-C 3.58Å; M230-E282 VanDerWaalsContact O-CA 3.29Å; M230-E282 WeakPolarHBondContact O-CA 3.22Å; M230-M283 PolarHBondContact O-N 3.39Å
231V98.6Very high94Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-107.5128.1171.8-169.60000108.4V185 T186 V187 S188 P233 M272 M283 I285V185-V231 HydrophobicContact CG1-CG2 3.64Å; T186-V231 PolarHBondContact O-N 2.84Å; V187-V231 HydrophobicContact CG2-CB 4.47Å; S188-V231 CarbonylContact C-O 3.54Å; S188-V231 WeakPolarHBondContact CA-O 3.27Å; S188-V231 WeakPolarHBondContact CB-O 3.08Å; S188-V231 PolarHBondContact N-O 3.48Å; V231-P233 VanDerWaalsContact C-CD 3.44Å; V231-P233 HydrophobicContact CG1-CG 3.9Å; V231-P233 VanDerWaalsContact O-CD 3.3Å; V231-P233 WeakPolarHBondContact O-CD 3.33Å; V231-M272 HydrophobicContact CB-CE 4.44Å; V231-M272 HydrophobicContact CG1-CE 4.06Å; V231-M272 HydrophobicContact CG1-CG 3.64Å; V231-M272 HydrophobicContact CG1-SD 4.11Å; V231-M272 HydrophobicContact CG2-CE 4.19Å; V231-M283 HydrophobicContact CG1-CB 4.35Å; V231-M283 HydrophobicContact CG2-CE 4.05Å; V231-M283 HydrophobicContact CG2-SD 3.9Å; V231-I285 HydrophobicContact CG1-CD1 3.85Å
232C98Very high93.5Very high0 Ų041.6 Ų41.60%023%0.233CC..EExtended strand (participates in β ladder)trans-117.777.2179.5-57.30000109.7V190 L193 Q210 M283 W284 I285V190-C232 HydrophobicContact CG1-CB 4.38Å; V190-C232 WeakPolarHBondContact CG1-O 3.49Å; L193-C232 HydrophobicContact CD1-CB 4.24Å; Q210-C232 PolarHBondContact NE2-SG 3.05Å; C232-M283 PolarHBondContact N-O 3.32Å; C232-W284 HydrophobicContact CB-CG 4.41Å; C232-I285 PolarHBondContact O-N 2.76Å
233P97.1Very high93.1Very high7 Ų738.1 Ų38.15%0.04522%0.215CC..EExtended strand (participates in β ladder)trans-68.7139.6174.2-18.532.8000111.4I61 V187 S189 V190 V231 V236 I285I61-P233 HydrophobicContact CD1-CB 4.36Å; I61-P233 HydrophobicContact CD1-CG 4.24Å; V187-P233 HydrophobicContact CG1-CG 3.93Å; S189-P233 WeakPolarHBondContact CA-O 3.4Å; S189-P233 PolarHBondContact OG-O 3.33Å; S189-P233 VanDerWaalsContact OG-O 3.08Å; V190-P233 WeakPolarHBondContact CG2-O 3.37Å; V190-P233 PolarHBondContact N-O 3.15Å; V231-P233 VanDerWaalsContact C-CD 3.44Å; V231-P233 HydrophobicContact CG1-CG 3.9Å; V231-P233 VanDerWaalsContact O-CD 3.3Å; V231-P233 WeakPolarHBondContact O-CD 3.33Å; P233-V236 HydrophobicContact CB-CG2 4.05Å; P233-I285 CarbonylContact C-O 3.37Å
234G93.9Very high92.7Very high13 Ų1334.9 Ų34.913%0.13420%0.201CC..  trans-77.6-152.2166.500000112.5V236 I285G234-V236 PolarHBondContact O-N 2.84Å; G234-V236 VanDerWaalsContact O-N 3.15Å; G234-I285 PolarHBondContact N-O 3.4Å
235P91.3Very high92.6Very high30 Ų3030.6 Ų30.620%0.19517%0.172CC..SBendtrans-65.1112.2170-19.633.2000110.8K262 M263 F290 F330P235-K262 HydrophobicContact CB-CB 4.27Å; P235-K262 HydrophobicContact CB-CD 3.92Å; P235-K262 HydrophobicContact CB-CG 3.81Å; P235-M263 PolarHBondContact O-N 2.85Å; P235-M263 VanDerWaalsContact O-N 3.14Å; P235-F290 HydrophobicContact CG-CD1 4.02Å; P235-F290 HydrophobicContact CG-CD2 4.08Å; P235-F290 HydrophobicContact CG-CE1 3.82Å; P235-F290 HydrophobicContact CG-CE2 3.91Å; P235-F290 HydrophobicContact CG-CG 4.12Å; P235-F290 HydrophobicContact CG-CZ 3.74Å; P235-F330 HydrophobicContact CB-CZ 3.93Å; P235-F330 HydrophobicContact CG-CZ 4.15Å
236V92.9Very high92.4Very high9 Ų925.6 Ų25.66%0.05515%0.146CC..BIsolated β-bridgetrans-124.7141.3178.31800000109.3I61 P233 G234 S238 M263 T265 C268I61-V236 HydrophobicContact CD1-CB 4.47Å; I61-V236 HydrophobicContact CD1-CG1 4.31Å; I61-V236 HydrophobicContact CG1-CG1 4.29Å; P233-V236 HydrophobicContact CB-CG2 4.05Å; G234-V236 PolarHBondContact O-N 2.84Å; G234-V236 VanDerWaalsContact O-N 3.15Å; V236-S238 PolarHBondContact O-N 3.41Å; V236-S238 PolarHBondContact O-OG 3.42Å; V236-M263 WeakPolarHBondContact CA-O 3.41Å; V236-M263 HydrophobicContact CG2-CB 4.45Å; V236-T265 HydrophobicContact CG1-CG2 4.42Å; V236-C268 HydrophobicContact CG1-CB 3.9Å; V236-C268 HydrophobicContact CG2-CB 3.92Å
237Q91.8Very high92.2Very high65 Ų6526.5 Ų26.530%0.30415%0.15SC..SBendtrans-58.3116.7173.6-67.9175.5-7.500109.9Q259 K262 M263 T265Q237-Q259 HydrophobicContact CB-CB 4.49Å; Q237-Q259 HydrophobicContact CG-CB 4.03Å; Q237-Q259 VanDerWaalsContact CG-O 3.24Å; Q237-Q259 WeakPolarHBondContact CG-O 3.31Å; Q237-Q259 PolarHBondContact NE2-O 3.37Å; Q237-K262 HydrophobicContact CG-CB 4.05Å; Q237-K262 PolarHBondContact NE2-O 3.43Å; Q237-M263 PolarHBondContact N-O 3.26Å; Q237-T265 PolarHBondContact O-OG1 3.14Å
238S87.9Confident92Very high26 Ų2628.1 Ų28.118%0.18216%0.155CC..SBendtrans-171.1166.2177.159.90000111.7V236 I240V236-S238 PolarHBondContact O-N 3.41Å; V236-S238 PolarHBondContact O-OG 3.42Å; S238-I240 PolarHBondContact O-N 3.47Å; S238-I240 VanDerWaalsContact O-N 3.11Å; S238-I240 WeakPolarHBondContact OG-CB 3.19Å; S238-I240 WeakPolarHBondContact OG-CG2 3.32Å; S238-I240 PolarHBondContact OG-N 3.44Å
239D84.5Confident91.7Very high88 Ų8831 Ų3147%0.47117%0.17SC..THydrogen-bonded Turntrans-75.314.9171.8-61.6-40.3000113.5V241 S242 N243D239-V241 PolarHBondContact O-N 3.08Å; D239-S242 WeakPolarHBondContact CA-OG 3.15Å; D239-S242 WeakPolarHBondContact CB-OG 3.22Å; D239-S242 PolarHBondContact O-N 3.01Å; D239-S242 PolarHBondContact O-OG 3.28Å; D239-N243 WeakPolarHBondContact CB-ND2 3.41Å; D239-N243 WeakPolarHBondContact O-CB 3.41Å; D239-N243 PolarHBondContact O-N 2.9Å; D239-N243 PolarHBondContact O-ND2 3.36Å
240I83.2Confident91.4Very high65 Ų6538.6 Ų38.633%0.33321%0.211SC..THydrogen-bonded Turntrans-64.9-31.6-178.2-161.5174.5000112S238 A244S238-I240 PolarHBondContact O-N 3.47Å; S238-I240 VanDerWaalsContact O-N 3.11Å; S238-I240 WeakPolarHBondContact OG-CB 3.19Å; S238-I240 WeakPolarHBondContact OG-CG2 3.32Å; S238-I240 PolarHBondContact OG-N 3.44Å; I240-A244 PolarHBondContact O-N 3.04Å
241V81.5Confident90.9Very high11 Ų1143.2 Ų43.27%0.06723%0.231CC..THydrogen-bonded Turntrans-75.3-45.4177.7178.90000110.3D239 N243 A244 V253 V256D239-V241 PolarHBondContact O-N 3.08Å; V241-N243 PolarHBondContact O-N 3.22Å; V241-A244 WeakPolarHBondContact O-CB 3.44Å; V241-A244 PolarHBondContact O-N 3.16Å; V241-A244 VanDerWaalsContact O-N 3.17Å; V241-V253 VanDerWaalsContact O-CG2 3.31Å; V241-V253 WeakPolarHBondContact O-CG2 3.37Å; V241-V256 HydrophobicContact CG1-CG1 4.47Å
242S84.4Confident90.3Very high52 Ų5248.1 Ų48.136%0.36426%0.263SS..THydrogen-bonded Turntrans-63.4-30.7178.852.80000112.3D239D239-S242 WeakPolarHBondContact CA-OG 3.15Å; D239-S242 WeakPolarHBondContact CB-OG 3.22Å; D239-S242 PolarHBondContact O-N 3.01Å; D239-S242 PolarHBondContact O-OG 3.28Å
243N87.1Confident89.6Confident65 Ų6549.2 Ų49.235%0.34827%0.27SS..THydrogen-bonded Turntrans-94.66.5177.7-64.9-64.9000114.3R140 D239 V241R140-N243 VanDerWaalsContact CZ-O 3.26Å; R140-N243 PolarHBondContact NE-O 3.29Å; R140-N243 PolarHBondContact NH2-O 3.17Å; D239-N243 WeakPolarHBondContact CB-ND2 3.41Å; D239-N243 WeakPolarHBondContact O-CB 3.41Å; D239-N243 PolarHBondContact O-N 2.9Å; D239-N243 PolarHBondContact O-ND2 3.36Å; V241-N243 PolarHBondContact O-N 3.22Å
244A90Very high88.6Confident3 Ų353.7 Ų53.73%0.02531%0.307CS..  trans-65.6149.6-179.600000111.9S141 R143 I240 V241 V253S141-A244 CarbonylContact O-C 3.44Å; S141-A244 WeakPolarHBondContact O-CA 3.35Å; R143-A244 HydrophobicContact CB-CB 4.14Å; I240-A244 PolarHBondContact O-N 3.04Å; V241-A244 WeakPolarHBondContact O-CB 3.44Å; V241-A244 PolarHBondContact O-N 3.16Å; V241-A244 VanDerWaalsContact O-N 3.17Å; A244-V253 HydrophobicContact CB-CG2 4.01Å
245F93.5Very high87.8Confident14 Ų1456.3 Ų56.36%0.06132%0.317CS..BIsolated β-bridgetrans-69.8150.4162.6-69.3-66000110.1R140 S141 Q142 R143 V153 A156 L157 L249R140-F245 HydrophobicContact CB-CD2 4.18Å; R140-F245 HydrophobicContact CB-CE2 4.04Å; R140-F245 VanDerWaalsContact CZ-CE1 3.47Å; R140-F245 VanDerWaalsContact NH1-CZ 3.29Å; S141-F245 PolarHBondContact O-N 2.89Å; Q142-F245 CarbonylContact C-O 3.6Å; Q142-F245 VanDerWaalsContact CA-O 3.29Å; Q142-F245 WeakPolarHBondContact CA-O 3.3Å; R143-F245 PolarHBondContact N-O 3.14Å; V153-F245 HydrophobicContact CG1-CB 3.67Å; V153-F245 HydrophobicContact CG1-CG 4.23Å; A156-F245 HydrophobicContact CB-CE2 4.32Å; A156-F245 HydrophobicContact CB-CZ 4.07Å; L157-F245 HydrophobicContact CD2-CD2 3.75Å; L157-F245 HydrophobicContact CD2-CE2 4.2Å; L157-F245 HydrophobicContact CG-CD2 3.8Å; L157-F245 HydrophobicContact CG-CE2 4.23Å; F245-L249 HydrophobicContact CD1-CD2 3.95Å; F245-L249 HydrophobicContact CE1-CB 4.43Å; F245-L249 HydrophobicContact CE1-CD2 3.64Å; F245-L249 HydrophobicContact CZ-CD2 4.19Å
246T93.1Very high87.2Confident6 Ų658.7 Ų58.74%0.03733%0.331CS..  trans-110.9-135.9176.263.10000110.3S144 E248 K251 V253S144-T246 VanDerWaalsContact CB-C 3.42Å; S144-T246 WeakPolarHBondContact CB-O 3.45Å; S144-T246 VanDerWaalsContact OG-C 3.27Å; S144-T246 PolarHBondContact OG-O 3.29Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-K251 WeakPolarHBondContact OG1-CB 3.14Å; T246-K251 PolarHBondContact OG1-O 2.85Å; T246-V253 HydrophobicContact CG2-CB 4.4Å; T246-V253 HydrophobicContact CG2-CG2 3.7Å
247E94.1Very high86.3Confident31 Ų3158.8 Ų58.815%0.14533%0.334CS..SBendtrans-71.4-24.8173.358.5-74.810500112.6E148 R150 K251E148-E247 HydrophobicContact CB-CB 4.25Å; E148-E247 WeakPolarHBondContact O-CB 3.39Å; R150-E247 WeakPolarHBondContact CG-O 3.47Å; R150-E247 PolarHBondContact N-O 2.98Å; E247-K251 HydrophobicContact CG-CD 4.31Å; E247-K251 WeakPolarHBondContact OE1-CD 3.34Å; E247-K251 WeakPolarHBondContact OE1-CE 3.34Å; E247-K251 VanDerWaalsContact OE1-CG 3.24Å; E247-K251 WeakPolarHBondContact OE1-CG 3.49Å; E247-K251 IonicContact OE1-NZ 3.09Å; E247-K251 PolarHBondContact OE1-NZ 3.29Å; E247-K251 VanDerWaalsContact OE1-NZ 3.09Å; E247-K251 IonicContact OE2-NZ 2.79Å; E247-K251 PolarHBondContact OE2-NZ 3.05Å
248E94.2Very high85.7Confident100 Ų10058.6 Ų58.647%0.46734%0.34SS..SBendtrans-130.3158.4179.3-66.9176-155.500110.8R150 T246 N250 K251R150-E248 HydrophobicContact CG-CG 4.46Å; T246-E248 VanDerWaalsContact C-N 3.27Å; E248-N250 VanDerWaalsContact C-N 3.31Å; E248-N250 PolarHBondContact O-N 3.2Å; E248-K251 HydrophobicContact CB-CB 4.12Å
249L91.6Very high85.4Confident64 Ų6458.9 Ų58.934%0.33534%0.338SS..THydrogen-bonded Turntrans-63.2-34.5-174.6-68.4175.7000114.2E152 V153 A156 F245E152-L249 HydrophobicContact CB-CD1 4.49Å; V153-L249 HydrophobicContact CB-CD2 4.48Å; V153-L249 HydrophobicContact CG2-CD2 4.12Å; V153-L249 HydrophobicContact CG2-CG 4.41Å; A156-L249 HydrophobicContact CB-CD2 3.44Å; A156-L249 VanDerWaalsContact CB-CD2 3.44Å; F245-L249 HydrophobicContact CD1-CD2 3.95Å; F245-L249 HydrophobicContact CE1-CB 4.43Å; F245-L249 HydrophobicContact CE1-CD2 3.64Å; F245-L249 HydrophobicContact CZ-CD2 4.19Å
250N91.4Very high85.2Confident161 Ų16162.1 Ų62.186%0.86135%0.351SS*.THydrogen-bonded Turntrans-108.71.9-171.7-63.4-36.9000113.4E248E248-N250 VanDerWaalsContact C-N 3.31Å; E248-N250 PolarHBondContact O-N 3.2Å
251K88.4Confident85.1Confident97 Ų9763.9 Ų63.942%0.42236%0.357SS..PPolyproline II helixtrans-84.8125.4178.4179.2159.3162.3-149.10109.3T246 E247 E248T246-K251 WeakPolarHBondContact OG1-CB 3.14Å; T246-K251 PolarHBondContact OG1-O 2.85Å; E247-K251 HydrophobicContact CG-CD 4.31Å; E247-K251 WeakPolarHBondContact OE1-CD 3.34Å; E247-K251 WeakPolarHBondContact OE1-CE 3.34Å; E247-K251 VanDerWaalsContact OE1-CG 3.24Å; E247-K251 WeakPolarHBondContact OE1-CG 3.49Å; E247-K251 IonicContact OE1-NZ 3.09Å; E247-K251 PolarHBondContact OE1-NZ 3.29Å; E247-K251 VanDerWaalsContact OE1-NZ 3.09Å; E247-K251 IonicContact OE2-NZ 2.79Å; E247-K251 PolarHBondContact OE2-NZ 3.05Å; E248-K251 HydrophobicContact CB-CB 4.12Å
252P86.4Confident85.5Confident104 Ų10464 Ų6468%0.67536%0.357SS*.PPolyproline II helixtrans-75.1158.3-179.130.3-35.2000111.3A254P252-A254 PolarHBondContact O-N 3.15Å
253V83.4Confident86Confident23 Ų2361.7 Ų61.714%0.13934%0.34CS..PPolyproline II helixtrans-68.1121.8172.1178.40000109.5R143 V241 A244 T246 I255R143-V253 HydrophobicContact CB-CG2 4.33Å; V241-V253 VanDerWaalsContact O-CG2 3.31Å; V241-V253 WeakPolarHBondContact O-CG2 3.37Å; A244-V253 HydrophobicContact CB-CG2 4.01Å; T246-V253 HydrophobicContact CG2-CB 4.4Å; T246-V253 HydrophobicContact CG2-CG2 3.7Å; V253-I255 WeakPolarHBondContact CG1-O 3.36Å; V253-I255 PolarHBondContact O-N 3.36Å
254A76.4Confident86.4Confident100 Ų10061 Ų6183%0.82634%0.341SS*.SBendtrans-67.8-33.7-176.600000113.5P252P252-A254 PolarHBondContact O-N 3.15Å
255I77.2Confident86.8Confident68 Ų6862 Ų6235%0.34935%0.347SS..  trans-134.2118.3-173.6-61.5149000109.7V253 G322V253-I255 WeakPolarHBondContact CG1-O 3.36Å; V253-I255 PolarHBondContact O-N 3.36Å; I255-G322 VanDerWaalsContact CD1-CA 3.49Å; I255-G322 WeakPolarHBondContact CD1-O 3.38Å
256V78.2Confident87Confident80 Ų8064.1 Ų64.149%0.48536%0.363SS..  trans-105.7109.4169.5-175.50000107.4V241V241-V256 HydrophobicContact CG1-CG1 4.47Å
257G74.5Confident87.2Confident12 Ų1268.1 Ų68.112%0.12438%0.377CS..  trans-73.4169.1178.100000113.7Q259G257-Q259 PolarHBondContact O-NE2 3.34Å
258S78.8Confident87.4Confident60 Ų6066.7 Ų66.742%0.4237%0.371SS..  trans-58.4138.7173.6178.80000111.1E260S258-E260 PolarHBondContact OG-N 3.28Å
259Q80.8Confident87.6Confident32 Ų3261.9 Ų61.915%0.1535%0.348CS..  trans-102.2-0.7177.5-53.4-62.7-65.300112.2Q237 G257 H261 K262Q237-Q259 HydrophobicContact CB-CB 4.49Å; Q237-Q259 HydrophobicContact CG-CB 4.03Å; Q237-Q259 VanDerWaalsContact CG-O 3.24Å; Q237-Q259 WeakPolarHBondContact CG-O 3.31Å; Q237-Q259 PolarHBondContact NE2-O 3.37Å; G257-Q259 PolarHBondContact O-NE2 3.34Å; Q259-H261 PolarHBondContact O-N 3.09Å; Q259-H261 VanDerWaalsContact O-N 3.12Å; Q259-K262 WeakPolarHBondContact O-CB 3.38Å; Q259-K262 PolarHBondContact O-N 3.23Å
260E80.8Confident87.9Confident156 Ų15662.8 Ų62.873%0.72935%0.347SS*.THydrogen-bonded Turntrans-59.2-29.8-172.7-69.4179.8176.200113.6S258 K262S258-E260 PolarHBondContact OG-N 3.28Å; E260-K262 VanDerWaalsContact C-N 3.26Å; E260-K262 PolarHBondContact O-N 3.02Å
261H82.4Confident88.3Confident102 Ų10255.1 Ų55.147%0.47231%0.306SS..THydrogen-bonded Turntrans-81-4.5-179.7-45.8-46000113.8Q259 F330Q259-H261 PolarHBondContact O-N 3.09Å; Q259-H261 VanDerWaalsContact O-N 3.12Å; H261-F330 HydrophobicContact CB-CB 3.99Å; H261-F330 HydrophobicContact CB-CD1 3.57Å; H261-F330 HydrophobicContact CB-CD2 4.41Å; H261-F330 HydrophobicContact CB-CE1 4.08Å; H261-F330 HydrophobicContact CB-CG 3.75Å; H261-F330 WeakPolarHBondContact O-CE1 3.02Å
262K89.6Confident88.8Confident15 Ų1550.5 Ų50.57%0.06529%0.286CS..SBendtrans-91.7158.5179.9-59.4-174-174.6-177.30110.6P235 Q237 Q259 E260 S264 D326 F330P235-K262 HydrophobicContact CB-CB 4.27Å; P235-K262 HydrophobicContact CB-CD 3.92Å; P235-K262 HydrophobicContact CB-CG 3.81Å; Q237-K262 HydrophobicContact CG-CB 4.05Å; Q237-K262 PolarHBondContact NE2-O 3.43Å; Q259-K262 WeakPolarHBondContact O-CB 3.38Å; Q259-K262 PolarHBondContact O-N 3.23Å; E260-K262 VanDerWaalsContact C-N 3.26Å; E260-K262 PolarHBondContact O-N 3.02Å; K262-S264 PolarHBondContact O-N 2.89Å; K262-D326 IonicContact NZ-OD2 3.15Å; K262-D326 PolarHBondContact NZ-OD2 2.81Å; K262-F330 HydrophobicContact CG-CE2 4.47Å; K262-F330 HydrophobicContact CG-CZ 4.02Å
263M93.9Very high89.4Confident2 Ų245.6 Ų45.61%0.0125%0.254CS..BIsolated β-bridgetrans-57.6139.1172.4-178.1-174-72.300110.1D28 P235 V236 Q237 R267 C268 L271 I285 Q287D28-M263 HydrophobicContact CB-CE 3.78Å; D28-M263 WeakPolarHBondContact O-CE 3.2Å; P235-M263 PolarHBondContact O-N 2.85Å; P235-M263 VanDerWaalsContact O-N 3.14Å; V236-M263 WeakPolarHBondContact CA-O 3.41Å; V236-M263 HydrophobicContact CG2-CB 4.45Å; Q237-M263 PolarHBondContact N-O 3.26Å; M263-R267 HydrophobicContact CG-CB 4.14Å; M263-R267 HydrophobicContact CG-CG 4.25Å; M263-R267 HydrophobicContact SD-CB 4.44Å; M263-R267 HydrophobicContact SD-CG 4.2Å; M263-C268 HydrophobicContact SD-CB 3.78Å; M263-L271 HydrophobicContact CE-CD1 4.45Å; M263-I285 HydrophobicContact CE-CG2 3.83Å; M263-I285 HydrophobicContact SD-CG2 3.57Å; M263-I285 VanDerWaalsContact SD-CG2 3.57Å; M263-Q287 HydrophobicContact CB-CG 4.26Å; M263-Q287 HydrophobicContact CE-CG 3.9Å
264S96.4Very high90.1Very high51 Ų5144.7 Ų44.736%0.35725%0.249SC..PPolyproline II helixtrans-63.2143173.770.20000111.1K262 S266 R267 C268K262-S264 PolarHBondContact O-N 2.89Å; S264-S266 PolarHBondContact O-N 3.4Å; S264-R267 PolarHBondContact O-N 3.44Å; S264-R267 WeakPolarHBondContact OG-CB 3.34Å; S264-R267 PolarHBondContact OG-N 2.9Å; S264-C268 PolarHBondContact O-N 3.39Å; S264-C268 VanDerWaalsContact O-N 3.09Å
265T96.9Very high91.1Very high25 Ų2540 Ų4015%0.15321%0.21CC..Hα-helixtrans-55.6-41.6176.7-330000110.9I61 E64 V236 Q237 R267 C268 V269I61-T265 HydrophobicContact CB-CG2 4.45Å; I61-T265 HydrophobicContact CG1-CG2 3.94Å; E64-T265 HydrophobicContact CB-CG2 3.82Å; E64-T265 HydrophobicContact CG-CG2 4.23Å; V236-T265 HydrophobicContact CG1-CG2 4.42Å; Q237-T265 PolarHBondContact O-OG1 3.14Å; T265-R267 PolarHBondContact O-N 3.03Å; T265-C268 WeakPolarHBondContact O-CB 3.41Å; T265-C268 PolarHBondContact O-N 2.9Å; T265-V269 WeakPolarHBondContact O-CG2 3.19Å; T265-V269 PolarHBondContact O-N 3.4Å
266S97.8Very high92.2Very high57 Ų5737.3 Ų37.340%0.39920%0.196SC..Hα-helixtrans-61.5-42.2-179.9-162.60000112.7E64 Q68 S264 R270E64-S266 WeakPolarHBondContact OE1-CA 3.42Å; E64-S266 VanDerWaalsContact OE1-CB 3.22Å; E64-S266 WeakPolarHBondContact OE1-CB 3.22Å; E64-S266 PolarHBondContact OE1-OG 3.25Å; Q68-S266 PolarHBondContact NE2-O 2.62Å; Q68-S266 PolarHBondContact NE2-OG 2.89Å; S264-S266 PolarHBondContact O-N 3.4Å; S266-R270 WeakPolarHBondContact O-CB 3.32Å; S266-R270 PolarHBondContact O-N 3.34Å
267R97.4Very high93.1Very high91 Ų9134 Ų3434%0.34318%0.177SC..Hα-helixtrans-67.6-42.2175.8179.956.3179166.65.3111.8D28 M263 S264 T265 R270 L271D28-R267 IonicContact OD1-CZ 3.65Å; D28-R267 IonicContact OD1-NE 3.57Å; D28-R267 IonicContact OD1-NH2 2.76Å; D28-R267 PolarHBondContact OD1-NH2 3.26Å; D28-R267 IonicContact OD2-CZ 2.77Å; D28-R267 VanDerWaalsContact OD2-CZ 3.3Å; D28-R267 IonicContact OD2-NE 3.45Å; D28-R267 PolarHBondContact OD2-NE 3.26Å; D28-R267 IonicContact OD2-NH2 3.61Å; D28-R267 PolarHBondContact OD2-NH2 3.01Å; M263-R267 HydrophobicContact CG-CB 4.14Å; M263-R267 HydrophobicContact CG-CG 4.25Å; M263-R267 HydrophobicContact SD-CB 4.44Å; M263-R267 HydrophobicContact SD-CG 4.2Å; S264-R267 PolarHBondContact O-N 3.44Å; S264-R267 WeakPolarHBondContact OG-CB 3.34Å; S264-R267 PolarHBondContact OG-N 2.9Å; T265-R267 PolarHBondContact O-N 3.03Å; R267-R270 WeakPolarHBondContact O-CB 3.42Å; R267-R270 PolarHBondContact O-N 3.06Å; R267-L271 HydrophobicContact CG-CD1 4.41Å; R267-L271 PolarHBondContact O-N 3.27Å; R267-L271 VanDerWaalsContact O-N 3.13Å
268C98.4Very high94.3Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-58.1-50.9175.9179.90000111V236 M263 S264 T265 R270 L271 M272 I285V236-C268 HydrophobicContact CG1-CB 3.9Å; V236-C268 HydrophobicContact CG2-CB 3.92Å; M263-C268 HydrophobicContact SD-CB 3.78Å; S264-C268 PolarHBondContact O-N 3.39Å; S264-C268 VanDerWaalsContact O-N 3.09Å; T265-C268 WeakPolarHBondContact O-CB 3.41Å; T265-C268 PolarHBondContact O-N 2.9Å; C268-R270 VanDerWaalsContact C-N 3.31Å; C268-R270 PolarHBondContact O-N 3.09Å; C268-L271 PolarHBondContact O-N 3.29Å; C268-M272 WeakPolarHBondContact O-CG 3.28Å; C268-M272 PolarHBondContact O-N 3.41Å; C268-I285 HydrophobicContact CB-CG2 4.25Å
269V98.7Very high95.1Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-62.4-38.7178.7169.80000111.6I61 E64 L65 Q68 T265 L271 M272 L273I61-V269 HydrophobicContact CG2-CG2 4Å; E64-V269 HydrophobicContact CB-CB 4.49Å; E64-V269 HydrophobicContact CB-CG2 3.83Å; E64-V269 HydrophobicContact CG-CB 3.81Å; E64-V269 HydrophobicContact CG-CG1 4.18Å; E64-V269 HydrophobicContact CG-CG2 3.65Å; L65-V269 HydrophobicContact CB-CG1 4.47Å; L65-V269 HydrophobicContact CD2-CG1 3.87Å; L65-V269 HydrophobicContact CG-CG1 4.06Å; L65-V269 HydrophobicContact CG-CG2 4.04Å; Q68-V269 HydrophobicContact CB-CG1 4.02Å; Q68-V269 HydrophobicContact CG-CG1 4.01Å; T265-V269 WeakPolarHBondContact O-CG2 3.19Å; T265-V269 PolarHBondContact O-N 3.4Å; V269-L271 VanDerWaalsContact C-N 3.29Å; V269-L271 PolarHBondContact O-N 2.55Å; V269-M272 HydrophobicContact CG2-SD 4.34Å; V269-M272 WeakPolarHBondContact O-CB 3.33Å; V269-M272 PolarHBondContact O-N 2.82Å; V269-M272 VanDerWaalsContact O-N 3.11Å; V269-L273 HydrophobicContact CG1-CG 4.26Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 2.88Å
270R98.5Very high96Very high82 Ų8232.8 Ų32.831%0.30917%0.17SC..Hα-helixtrans-56.4-46.3175.7178.958.3177.7-164.36.4111.5E44 S266 R267 C268 L273 V274E44-R270 IonicContact OE1-CZ 3.98Å; E44-R270 VanDerWaalsContact OE1-CZ 3.27Å; E44-R270 IonicContact OE1-NH1 3.61Å; E44-R270 PolarHBondContact OE1-NH1 2.97Å; E44-R270 IonicContact OE1-NH2 3.57Å; E44-R270 PolarHBondContact OE1-NH2 3.44Å; E44-R270 IonicContact OE2-NH2 2.82Å; S266-R270 WeakPolarHBondContact O-CB 3.32Å; S266-R270 PolarHBondContact O-N 3.34Å; R267-R270 WeakPolarHBondContact O-CB 3.42Å; R267-R270 PolarHBondContact O-N 3.06Å; C268-R270 VanDerWaalsContact C-N 3.31Å; C268-R270 PolarHBondContact O-N 3.09Å; R270-L273 PolarHBondContact O-N 3.16Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.1Å; R270-V274 VanDerWaalsContact O-N 3.09Å
271L98.6Very high96.7Very high1 Ų131.9 Ų31.91%0.00516%0.163CC..Hα-helixtrans-65.9-39.4177.1-72.2166.7000111.6A29 L33 M263 R267 C268 V269 L273 V274 G275 I285A29-L271 HydrophobicContact CB-CD1 4.18Å; A29-L271 HydrophobicContact CB-CD2 4.19Å; L33-L271 HydrophobicContact CD2-CB 3.99Å; L33-L271 HydrophobicContact CD2-CD2 4.43Å; L33-L271 HydrophobicContact CG-CD2 4.39Å; M263-L271 HydrophobicContact CE-CD1 4.45Å; R267-L271 HydrophobicContact CG-CD1 4.41Å; R267-L271 PolarHBondContact O-N 3.27Å; R267-L271 VanDerWaalsContact O-N 3.13Å; C268-L271 PolarHBondContact O-N 3.29Å; V269-L271 VanDerWaalsContact C-N 3.29Å; V269-L271 PolarHBondContact O-N 2.55Å; L271-L273 PolarHBondContact O-N 3.47Å; L271-V274 PolarHBondContact O-N 2.75Å; L271-G275 PolarHBondContact O-N 3.12Å; L271-I285 HydrophobicContact CB-CD1 3.83Å; L271-I285 HydrophobicContact CB-CG1 4.12Å; L271-I285 HydrophobicContact CB-CG2 4.3Å; L271-I285 HydrophobicContact CD1-CG2 3.73Å
272M98.8Very high97.5Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-57.5-48.9172.9-65.117067.600111.5I61 L65 V187 V231 C268 V269 V274 G275 I276 I285I61-M272 HydrophobicContact CG2-CE 3.94Å; I61-M272 HydrophobicContact CG2-SD 3.68Å; L65-M272 HydrophobicContact CD1-CE 3.78Å; L65-M272 HydrophobicContact CD2-CE 4.12Å; L65-M272 HydrophobicContact CG-CE 4.28Å; V187-M272 HydrophobicContact CG2-CE 3.66Å; V231-M272 HydrophobicContact CB-CE 4.44Å; V231-M272 HydrophobicContact CG1-CE 4.06Å; V231-M272 HydrophobicContact CG1-CG 3.64Å; V231-M272 HydrophobicContact CG1-SD 4.11Å; V231-M272 HydrophobicContact CG2-CE 4.19Å; C268-M272 WeakPolarHBondContact O-CG 3.28Å; C268-M272 PolarHBondContact O-N 3.41Å; V269-M272 HydrophobicContact CG2-SD 4.34Å; V269-M272 WeakPolarHBondContact O-CB 3.33Å; V269-M272 PolarHBondContact O-N 2.82Å; V269-M272 VanDerWaalsContact O-N 3.11Å; M272-V274 VanDerWaalsContact C-N 3.32Å; M272-V274 PolarHBondContact O-N 3.07Å; M272-G275 PolarHBondContact O-N 3.37Å; M272-G275 VanDerWaalsContact O-N 3.11Å; M272-I276 VanDerWaalsContact O-CG1 3.25Å; M272-I276 WeakPolarHBondContact O-CG1 3.43Å; M272-I276 PolarHBondContact O-N 2.96Å; M272-I285 HydrophobicContact CG-CD1 3.58Å
273L98.8Very high97.9Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-63.9-36.6-179.8-63.9-167.2000112.6P43 L47 L65 Q68 L69 V269 R270 L271 I276 A277P43-L273 HydrophobicContact CB-CB 3.94Å; P43-L273 HydrophobicContact CG-CB 3.98Å; L47-L273 HydrophobicContact CD1-CB 4.16Å; L47-L273 HydrophobicContact CD1-CD2 3.95Å; L47-L273 HydrophobicContact CD1-CG 4.44Å; L65-L273 HydrophobicContact CD2-CD2 3.85Å; Q68-L273 HydrophobicContact CB-CD1 3.52Å; L69-L273 HydrophobicContact CD2-CD1 4.45Å; L69-L273 HydrophobicContact CD2-CD2 3.57Å; L69-L273 HydrophobicContact CG-CD2 3.9Å; V269-L273 HydrophobicContact CG1-CG 4.26Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 2.88Å; R270-L273 PolarHBondContact O-N 3.16Å; L271-L273 PolarHBondContact O-N 3.47Å; L273-I276 HydrophobicContact CD2-CD1 4.28Å; L273-I276 PolarHBondContact O-N 2.78Å; L273-A277 WeakPolarHBondContact O-CB 3.3Å; L273-A277 PolarHBondContact O-N 3.44Å
274V98.7Very high98Very high5 Ų529.7 Ų29.73%0.0315%0.153CC..Hα-helixtrans-59.4-47.7171.4167.30000110.5L33 A36 P43 R270 L271 M272 A277 N278L33-V274 HydrophobicContact CD1-CB 4.37Å; L33-V274 HydrophobicContact CD1-CG1 3.99Å; A36-V274 HydrophobicContact CB-CG1 3.97Å; P43-V274 HydrophobicContact CG-CG2 3.97Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.1Å; R270-V274 VanDerWaalsContact O-N 3.09Å; L271-V274 PolarHBondContact O-N 2.75Å; M272-V274 VanDerWaalsContact C-N 3.32Å; M272-V274 PolarHBondContact O-N 3.07Å; V274-A277 PolarHBondContact O-N 2.95Å; V274-N278 WeakPolarHBondContact O-CB 3.3Å; V274-N278 PolarHBondContact O-N 3.27Å; V274-N278 VanDerWaalsContact O-N 3.15Å; V274-N278 PolarHBondContact O-ND2 3.24Å
275G98.6Very high98.1Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-64.4-42.2179.900000112.7L271 M272 N278 G279 V280L271-G275 PolarHBondContact O-N 3.12Å; M272-G275 PolarHBondContact O-N 3.37Å; M272-G275 VanDerWaalsContact O-N 3.11Å; G275-N278 CarbonylContact O-C 3.57Å; G275-N278 PolarHBondContact O-N 3.09Å; G275-G279 PolarHBondContact O-N 3.35Å; G275-V280 PolarHBondContact O-N 2.73Å
276I98.6Very high98Very high13 Ų1326.2 Ų26.27%0.06713%0.129CC..Hα-helixtrans-62.2-47.7175.9-62.7169.2000110.7L47 V133 I135 V185 M272 L273 N278 G279 M283L47-I276 HydrophobicContact CD2-CG2 3.91Å; V133-I276 HydrophobicContact CG1-CG2 4.35Å; I135-I276 HydrophobicContact CD1-CD1 3.94Å; V185-I276 HydrophobicContact CB-CD1 4.49Å; V185-I276 HydrophobicContact CG1-CD1 4.05Å; V185-I276 HydrophobicContact CG1-CG1 4.09Å; V185-I276 HydrophobicContact CG2-CD1 4.02Å; V185-I276 HydrophobicContact CG2-CG1 3.78Å; V185-I276 HydrophobicContact CG2-CG2 4.38Å; M272-I276 VanDerWaalsContact O-CG1 3.25Å; M272-I276 WeakPolarHBondContact O-CG1 3.43Å; M272-I276 PolarHBondContact O-N 2.96Å; L273-I276 HydrophobicContact CD2-CD1 4.28Å; L273-I276 PolarHBondContact O-N 2.78Å; I276-N278 PolarHBondContact O-N 3.48Å; I276-G279 PolarHBondContact O-N 3.43Å; I276-M283 HydrophobicContact CG1-CE 4.2Å
277A98.4Very high97.7Very high9 Ų927.5 Ų27.57%0.07413%0.129CC..Hα-helixtrans-62-25.5-179.100000113.7P43 R46 L273 V274P43-A277 HydrophobicContact CB-CB 4.48Å; P43-A277 HydrophobicContact CG-CB 4.41Å; R46-A277 HydrophobicContact CB-CB 3.88Å; R46-A277 HydrophobicContact CG-CB 4.26Å; L273-A277 WeakPolarHBondContact O-CB 3.3Å; L273-A277 PolarHBondContact O-N 3.44Å; V274-A277 PolarHBondContact O-N 2.95Å
278N98.4Very high97.2Very high46 Ų4625.7 Ų25.725%0.24612%0.124CC..THydrogen-bonded Turntrans-107.85.8-177.8-70.3-78.6000113.6A36 G40 H41 V274 G275 I276 V280A36-N278 HydrophobicContact CB-CB 4.05Å; G40-N278 VanDerWaalsContact CA-OD1 3.25Å; G40-N278 WeakPolarHBondContact CA-OD1 3.29Å; H41-N278 PolarHBondContact N-OD1 2.78Å; H41-N278 PolarHBondContact O-ND2 2.88Å; V274-N278 WeakPolarHBondContact O-CB 3.3Å; V274-N278 PolarHBondContact O-N 3.27Å; V274-N278 VanDerWaalsContact O-N 3.15Å; V274-N278 PolarHBondContact O-ND2 3.24Å; G275-N278 CarbonylContact O-C 3.57Å; G275-N278 PolarHBondContact O-N 3.09Å; I276-N278 PolarHBondContact O-N 3.48Å; N278-V280 VanDerWaalsContact C-N 3.27Å; N278-V280 HydrophobicContact CB-CG2 4.24Å; N278-V280 PolarHBondContact O-N 3.37Å
279G97.4Very high96.8Very high23 Ų2329.3 Ų29.324%0.23715%0.148CC..THydrogen-bonded Turntrans62.131.3179.200000114.3G275 I276 K281G275-G279 PolarHBondContact O-N 3.35Å; I276-G279 PolarHBondContact O-N 3.43Å; G279-K281 PolarHBondContact O-N 2.95Å
280V98.3Very high96.3Very high11 Ų1130.3 Ų30.37%0.06715%0.152CC..  trans-64.6122.6176.7178.60000108.9T32 L33 A36 S229 G275 N278 E282 M283T32-V280 HydrophobicContact CG2-CG1 4.29Å; L33-V280 HydrophobicContact CD1-CG2 4.33Å; A36-V280 HydrophobicContact CB-CG2 4.06Å; S229-V280 WeakPolarHBondContact CB-O 3.37Å; S229-V280 PolarHBondContact OG-O 3.09Å; G275-V280 PolarHBondContact O-N 2.73Å; N278-V280 VanDerWaalsContact C-N 3.27Å; N278-V280 HydrophobicContact CB-CG2 4.24Å; N278-V280 PolarHBondContact O-N 3.37Å; V280-E282 VanDerWaalsContact CG1-O 3.22Å; V280-E282 WeakPolarHBondContact CG1-O 3.43Å; V280-M283 HydrophobicContact CB-CG 4.12Å; V280-M283 HydrophobicContact CG1-CG 3.78Å; V280-M283 WeakPolarHBondContact O-CE 3.27Å
281K96.8Very high96Very high137 Ų13726.4 Ų26.460%0.59614%0.138SC*.SBendtrans-71.2-32.9-174.6-67.8178.2-179175.70112.9R217 S229 M230 G279R217-K281 PolarHBondContact NH2-O 3.28Å; S229-K281 CarbonylContact C-O 3.41Å; S229-K281 VanDerWaalsContact CA-O 3.31Å; S229-K281 WeakPolarHBondContact CA-O 3.45Å; M230-K281 PolarHBondContact N-O 2.8Å; G279-K281 PolarHBondContact O-N 2.95Å
282E97.4Very high95.6Very high53 Ų5331 Ų3125%0.24816%0.16CC..EExtended strand (participates in β ladder)trans-145.9128.5-179.4-165.7163.5131.500109.8M230 V280 W284M230-E282 HydrophobicContact CB-CG 4.16Å; M230-E282 CarbonylContact O-C 3.58Å; M230-E282 VanDerWaalsContact O-CA 3.29Å; M230-E282 WeakPolarHBondContact O-CA 3.22Å; V280-E282 VanDerWaalsContact CG1-O 3.22Å; V280-E282 WeakPolarHBondContact CG1-O 3.43Å; E282-W284 PolarHBondContact OE1-NE1 3.06Å
283M98.1Very high95.2Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-121.6101.6-171.6-62.5171.1-131.600109.4L33 M230 V231 C232 I276 V280 I285L33-M283 HydrophobicContact CD1-CG 4.34Å; L33-M283 HydrophobicContact CD2-CB 3.88Å; L33-M283 HydrophobicContact CD2-CG 4.15Å; M230-M283 PolarHBondContact O-N 3.39Å; V231-M283 HydrophobicContact CG1-CB 4.35Å; V231-M283 HydrophobicContact CG2-CE 4.05Å; V231-M283 HydrophobicContact CG2-SD 3.9Å; C232-M283 PolarHBondContact N-O 3.32Å; I276-M283 HydrophobicContact CG1-CE 4.2Å; V280-M283 HydrophobicContact CB-CG 4.12Å; V280-M283 HydrophobicContact CG1-CG 3.78Å; V280-M283 WeakPolarHBondContact O-CE 3.27Å; M283-I285 HydrophobicContact CB-CD1 4.26Å; M283-I285 HydrophobicContact CB-CG1 4.36Å
284W97.5Very high94.8Very high20 Ų2032.9 Ų32.98%0.07617%0.168CC..EExtended strand (participates in β ladder)trans-89.9116.5174.1-57.97.8000108.1A29 D30 L193 C232 E282 L291 Y295 Q298A29-W284 CarbonylContact C-O 3.51Å; A29-W284 WeakPolarHBondContact CA-O 3.42Å; D30-W284 HydrophobicContact CB-CB 4.07Å; D30-W284 HydrophobicContact CB-CG 4.49Å; D30-W284 PolarHBondContact N-O 3.24Å; D30-W284 PolarHBondContact OD2-N 2.74Å; L193-W284 HydrophobicContact CD1-CD2 3.83Å; L193-W284 HydrophobicContact CD1-CE3 4.39Å; L193-W284 HydrophobicContact CD1-CG 4.29Å; L193-W284 HydrophobicContact CD1-CH2 4.12Å; L193-W284 HydrophobicContact CD1-CZ2 3.54Å; L193-W284 HydrophobicContact CD2-CZ2 4.4Å; C232-W284 HydrophobicContact CB-CG 4.41Å; E282-W284 PolarHBondContact OE1-NE1 3.06Å; W284-L291 HydrophobicContact CB-CD1 3.96Å; W284-L291 HydrophobicContact CE3-CD1 4.37Å; W284-Y295 HydrophobicContact CE3-CD2 4.11Å; W284-Y295 AromaticContact CE3-CE2 3.9Å; W284-Y295 HydrophobicContact CE3-CE2 3.9Å; W284-Y295 HydrophobicContact CZ3-CD1 4.04Å; W284-Y295 AromaticContact CZ3-CD2 4Å; W284-Y295 HydrophobicContact CZ3-CD2 4Å; W284-Y295 HydrophobicContact CZ3-CE1 4.17Å; W284-Y295 HydrophobicContact CZ3-CE2 4.13Å; W284-Y295 AromaticContact CZ3-CG 3.96Å; W284-Y295 HydrophobicContact CZ3-CG 3.96Å; W284-Q298 HydrophobicContact CH2-CB 4.24Å
285I97.5Very high94.4Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-121.996.5-172.1-60.9170.8000108L33 V231 C232 P233 G234 M263 C268 L271 M272 M283L33-I285 HydrophobicContact CD2-CD1 4.01Å; L33-I285 HydrophobicContact CD2-CG1 3.65Å; V231-I285 HydrophobicContact CG1-CD1 3.85Å; C232-I285 PolarHBondContact O-N 2.76Å; P233-I285 CarbonylContact C-O 3.37Å; G234-I285 PolarHBondContact N-O 3.4Å; M263-I285 HydrophobicContact CE-CG2 3.83Å; M263-I285 HydrophobicContact SD-CG2 3.57Å; M263-I285 VanDerWaalsContact SD-CG2 3.57Å; C268-I285 HydrophobicContact CB-CG2 4.25Å; L271-I285 HydrophobicContact CB-CD1 3.83Å; L271-I285 HydrophobicContact CB-CG1 4.12Å; L271-I285 HydrophobicContact CB-CG2 4.3Å; L271-I285 HydrophobicContact CD1-CG2 3.73Å; M272-I285 HydrophobicContact CG-CD1 3.58Å; M283-I285 HydrophobicContact CB-CD1 4.26Å; M283-I285 HydrophobicContact CB-CG1 4.36Å
286A94.4Very high94Very high2 Ų236.1 Ų36.12%0.01719%0.185CC..  trans-155.1142.3-177.800000110.3D28 F290 L291D28-A286 CarbonylContact C-O 2.95Å; D28-A286 VanDerWaalsContact C-O 3.24Å; D28-A286 WeakPolarHBondContact CA-O 3.44Å; D28-A286 CarbonylContact O-C 3.42Å; D28-A286 PolarHBondContact O-N 3.04Å; A286-F290 HydrophobicContact CB-CB 4.17Å; A286-L291 HydrophobicContact CB-CB 4.23Å
287Q91.5Very high93.6Very high84 Ų8437.7 Ų37.739%0.39319%0.19SC..  trans-72.8154.3169.8-70.4176-32.900110.7D28 M263 F290 L291D28-Q287 HydrophobicContact CB-CG 4.38Å; M263-Q287 HydrophobicContact CB-CG 4.26Å; M263-Q287 HydrophobicContact CE-CG 3.9Å; Q287-F290 WeakPolarHBondContact O-CB 3.33Å; Q287-F290 PolarHBondContact O-N 3.39Å; Q287-L291 PolarHBondContact O-N 2.9Å
288Q88.3Confident93.2Very high53 Ų5342.1 Ų42.125%0.24821%0.209CC..THydrogen-bonded Turntrans-64.6146.7168.2-63.5-64.97.400111.1F24 I25F24-Q288 VanDerWaalsContact CE1-NE2 3.28Å; F24-Q288 PolarHBondContact O-NE2 3.15Å; I25-Q288 WeakPolarHBondContact O-CG 3.19Å
289P89.3Confident92.9Very high77 Ų7748.1 Ų48.150%0.523%0.229SC..THydrogen-bonded Turncis-88.14.24.536.2-36.7000114.5L291 M292 F293P289-L291 PolarHBondContact O-N 2.83Å; P289-M292 HydrophobicContact CB-CE 4.5Å; P289-M292 PolarHBondContact O-N 3.31Å; P289-F293 PolarHBondContact O-N 3.49Å
290F89.1Confident92.7Very high20 Ų2048.9 Ų48.99%0.08823%0.233CC..Hα-helixtrans-63.3-44-175.4-68.8-83.4000112.1P235 A286 Q287 M292 F293 Y294 Y329 F330P235-F290 HydrophobicContact CG-CD1 4.02Å; P235-F290 HydrophobicContact CG-CD2 4.08Å; P235-F290 HydrophobicContact CG-CE1 3.82Å; P235-F290 HydrophobicContact CG-CE2 3.91Å; P235-F290 HydrophobicContact CG-CG 4.12Å; P235-F290 HydrophobicContact CG-CZ 3.74Å; A286-F290 HydrophobicContact CB-CB 4.17Å; Q287-F290 WeakPolarHBondContact O-CB 3.33Å; Q287-F290 PolarHBondContact O-N 3.39Å; F290-M292 PolarHBondContact O-N 3.38Å; F290-F293 WeakPolarHBondContact O-CB 3.36Å; F290-F293 PolarHBondContact O-N 2.89Å; F290-F293 VanDerWaalsContact O-N 3.12Å; F290-Y294 HydrophobicContact CB-CD2 4.47Å; F290-Y294 HydrophobicContact CB-CE2 4.04Å; F290-Y294 HydrophobicContact CD1-CE2 4.49Å; F290-Y294 WeakPolarHBondContact O-CD2 3.36Å; F290-Y294 PolarHBondContact O-N 3.44Å; F290-Y329 HydrophobicContact CE1-CD1 4.22Å; F290-Y329 HydrophobicContact CE1-CD2 4.24Å; F290-Y329 AromaticContact CE1-CG 3.88Å; F290-Y329 HydrophobicContact CE1-CG 3.88Å; F290-Y329 VanDerWaalsContact CZ-CB 3.44Å; F290-Y329 HydrophobicContact CZ-CD2 4.4Å; F290-Y329 AromaticContact CZ-CG 3.98Å; F290-Y329 HydrophobicContact CZ-CG 3.98Å; F290-F330 HydrophobicContact CE2-CD1 4.19Å; F290-F330 AromaticContact CE2-CE1 3.38Å; F290-F330 HydrophobicContact CE2-CE1 3.38Å; F290-F330 AromaticContact CE2-CZ 3.6Å; F290-F330 HydrophobicContact CE2-CZ 3.6Å; F290-F330 HydrophobicContact CZ-CD1 4.46Å; F290-F330 AromaticContact CZ-CE1 3.72Å; F290-F330 HydrophobicContact CZ-CE1 3.72Å; F290-F330 HydrophobicContact CZ-CE2 4.13Å; F290-F330 AromaticContact CZ-CZ 3.5Å; F290-F330 HydrophobicContact CZ-CZ 3.5Å; F290-F330 VanDerWaalsContact CZ-CZ 3.5Å
291L91.6Very high92.3Very high1 Ų151.5 Ų51.51%0.00525%0.25CS..Hα-helixtrans-55.6-51.8178.5-175.763.5000111F24 A29 W284 A286 Q287 P289 F293 Y294 Y295F24-L291 HydrophobicContact CD2-CD2 4.35Å; F24-L291 HydrophobicContact CE2-CD2 3.71Å; F24-L291 HydrophobicContact CE2-CG 3.96Å; F24-L291 HydrophobicContact CZ-CD2 4.27Å; F24-L291 HydrophobicContact CZ-CG 4.15Å; A29-L291 VanDerWaalsContact O-CD2 3.24Å; A29-L291 WeakPolarHBondContact O-CD2 3.38Å; W284-L291 HydrophobicContact CB-CD1 3.96Å; W284-L291 HydrophobicContact CE3-CD1 4.37Å; A286-L291 HydrophobicContact CB-CB 4.23Å; Q287-L291 PolarHBondContact O-N 2.9Å; P289-L291 PolarHBondContact O-N 2.83Å; L291-F293 VanDerWaalsContact C-N 3.3Å; L291-F293 PolarHBondContact O-N 3.22Å; L291-Y294 PolarHBondContact O-N 2.97Å; L291-Y294 VanDerWaalsContact O-N 3.16Å; L291-Y295 HydrophobicContact CD1-CD2 4.21Å; L291-Y295 HydrophobicContact CD1-CE2 3.79Å; L291-Y295 HydrophobicContact CG-CD2 4.1Å; L291-Y295 HydrophobicContact CG-CE2 3.9Å; L291-Y295 VanDerWaalsContact O-CD2 3.31Å; L291-Y295 WeakPolarHBondContact O-CD2 3.24Å; L291-Y295 PolarHBondContact O-N 3.11Å; L291-Y295 VanDerWaalsContact O-N 3.11Å
292M90.4Very high92Very high96 Ų9650.7 Ų50.747%0.47326%0.257SS..Hα-helixtrans-57.6-40.6175.5-178.6176.870.600112.7F24 P289 F290 Y294 Y295 A296F24-M292 HydrophobicContact CE1-CB 4.1Å; F24-M292 HydrophobicContact CE1-CG 4.41Å; F24-M292 HydrophobicContact CZ-CB 4.36Å; P289-M292 HydrophobicContact CB-CE 4.5Å; P289-M292 PolarHBondContact O-N 3.31Å; F290-M292 PolarHBondContact O-N 3.38Å; M292-Y294 VanDerWaalsContact C-N 3.34Å; M292-Y294 PolarHBondContact O-N 2.79Å; M292-Y295 PolarHBondContact O-N 3.47Å; M292-A296 PolarHBondContact O-N 3.41Å
293F89.8Confident91.6Very high23 Ų2352.3 Ų52.310%0.10127%0.27CS..Hα-helixtrans-59.2-42.6176.4167.2-96.7000112.3A194 P289 F290 L291 A296 W297 M307 T308A194-F293 HydrophobicContact CB-CE1 4.41Å; P289-F293 PolarHBondContact O-N 3.49Å; F290-F293 WeakPolarHBondContact O-CB 3.36Å; F290-F293 PolarHBondContact O-N 2.89Å; F290-F293 VanDerWaalsContact O-N 3.12Å; L291-F293 VanDerWaalsContact C-N 3.3Å; L291-F293 PolarHBondContact O-N 3.22Å; F293-A296 WeakPolarHBondContact O-CB 3.48Å; F293-A296 PolarHBondContact O-N 3.45Å; F293-W297 HydrophobicContact CE2-CE3 4.38Å; F293-W297 AromaticContact CZ-CE3 3.9Å; F293-W297 HydrophobicContact CZ-CE3 3.9Å; F293-W297 HydrophobicContact CZ-CZ3 4.39Å; F293-W297 PolarHBondContact O-N 3.37Å; F293-M307 HydrophobicContact CB-CE 4.39Å; F293-M307 HydrophobicContact CD2-CB 4.25Å; F293-M307 HydrophobicContact CD2-CE 3.99Å; F293-M307 HydrophobicContact CD2-SD 4.3Å; F293-M307 HydrophobicContact CE2-CB 4.23Å; F293-T308 WeakPolarHBondContact CE2-OG1 3.43Å; F293-T308 WeakPolarHBondContact CZ-OG1 3.31Å
294Y90.1Very high91.1Very high18 Ų1852.3 Ų52.37%0.07127%0.27CS..Hα-helixtrans-71.4-33.1178.4-65.7-69.5000112.8V190 A194 F290 L291 M292 W297 Q298V190-Y294 HydrophobicContact CB-CD1 3.93Å; V190-Y294 HydrophobicContact CB-CD2 3.63Å; V190-Y294 HydrophobicContact CB-CE1 3.64Å; V190-Y294 HydrophobicContact CB-CE2 3.37Å; V190-Y294 HydrophobicContact CB-CG 3.96Å; V190-Y294 HydrophobicContact CG1-CD2 3.79Å; V190-Y294 HydrophobicContact CG1-CE2 3.83Å; V190-Y294 HydrophobicContact CG1-CG 4.34Å; V190-Y294 HydrophobicContact CG2-CD2 4.13Å; V190-Y294 HydrophobicContact CG2-CE1 3.84Å; V190-Y294 HydrophobicContact CG2-CE2 3.33Å; V190-Y294 WeakPolarHBondContact CG2-OH 3.34Å; V190-Y294 WeakPolarHBondContact O-CE1 3.27Å; A194-Y294 HydrophobicContact CB-CD1 3.66Å; A194-Y294 HydrophobicContact CB-CE1 3.75Å; F290-Y294 HydrophobicContact CB-CD2 4.47Å; F290-Y294 HydrophobicContact CB-CE2 4.04Å; F290-Y294 HydrophobicContact CD1-CE2 4.49Å; F290-Y294 WeakPolarHBondContact O-CD2 3.36Å; F290-Y294 PolarHBondContact O-N 3.44Å; L291-Y294 PolarHBondContact O-N 2.97Å; L291-Y294 VanDerWaalsContact O-N 3.16Å; M292-Y294 VanDerWaalsContact C-N 3.34Å; M292-Y294 PolarHBondContact O-N 2.79Å; Y294-W297 WeakPolarHBondContact O-CB 3.46Å; Y294-W297 PolarHBondContact O-N 3.46Å; Y294-Q298 PolarHBondContact O-N 3.19Å; Y294-Q298 VanDerWaalsContact O-N 3.13Å
295Y91.2Very high90.7Very high53 Ų5357.6 Ų57.621%0.20829%0.29CS..Hα-helixtrans-62.1-45.6168.4-84.9-79.4000111.8F24 D30 W284 L291 M292 W297 Q298 Y299F24-Y295 AromaticContact CE2-CD2 3.72Å; F24-Y295 HydrophobicContact CE2-CD2 3.72Å; F24-Y295 AromaticContact CE2-CE2 3.47Å; F24-Y295 HydrophobicContact CE2-CE2 3.47Å; F24-Y295 VanDerWaalsContact CE2-CE2 3.47Å; F24-Y295 AromaticContact CZ-CD2 3.57Å; F24-Y295 HydrophobicContact CZ-CD2 3.57Å; F24-Y295 AromaticContact CZ-CE2 3.86Å; F24-Y295 HydrophobicContact CZ-CE2 3.86Å; F24-Y295 HydrophobicContact CZ-CG 4.33Å; D30-Y295 WeakPolarHBondContact CB-OH 3.01Å; W284-Y295 HydrophobicContact CE3-CD2 4.11Å; W284-Y295 AromaticContact CE3-CE2 3.9Å; W284-Y295 HydrophobicContact CE3-CE2 3.9Å; W284-Y295 HydrophobicContact CZ3-CD1 4.04Å; W284-Y295 AromaticContact CZ3-CD2 4Å; W284-Y295 HydrophobicContact CZ3-CD2 4Å; W284-Y295 HydrophobicContact CZ3-CE1 4.17Å; W284-Y295 HydrophobicContact CZ3-CE2 4.13Å; W284-Y295 AromaticContact CZ3-CG 3.96Å; W284-Y295 HydrophobicContact CZ3-CG 3.96Å; L291-Y295 HydrophobicContact CD1-CD2 4.21Å; L291-Y295 HydrophobicContact CD1-CE2 3.79Å; L291-Y295 HydrophobicContact CG-CD2 4.1Å; L291-Y295 HydrophobicContact CG-CE2 3.9Å; L291-Y295 VanDerWaalsContact O-CD2 3.31Å; L291-Y295 WeakPolarHBondContact O-CD2 3.24Å; L291-Y295 PolarHBondContact O-N 3.11Å; L291-Y295 VanDerWaalsContact O-N 3.11Å; M292-Y295 PolarHBondContact O-N 3.47Å; Y295-W297 VanDerWaalsContact C-N 3.25Å; Y295-W297 PolarHBondContact O-N 2.77Å; Y295-Q298 PolarHBondContact O-N 2.76Å; Y295-Y299 HydrophobicContact CD1-CD2 4.04Å; Y295-Y299 AromaticContact CD1-CE2 3.75Å; Y295-Y299 HydrophobicContact CD1-CE2 3.75Å; Y295-Y299 HydrophobicContact CE1-CE2 4.26Å; Y295-Y299 VanDerWaalsContact O-CD2 3.28Å; Y295-Y299 WeakPolarHBondContact O-CD2 3.38Å; Y295-Y299 PolarHBondContact O-N 3.42Å
296A90.9Very high90.3Very high20 Ų2060.6 Ų60.617%0.16532%0.315CS..Hα-helixtrans-60.6-37.5175.300000111.3M292 F293 Q298 A300 A304M292-A296 PolarHBondContact O-N 3.41Å; F293-A296 WeakPolarHBondContact O-CB 3.48Å; F293-A296 PolarHBondContact O-N 3.45Å; A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 3.35Å; A296-A300 CarbonylContact O-C 3.58Å; A296-A300 WeakPolarHBondContact O-CA 3.31Å; A296-A300 PolarHBondContact O-N 2.98Å; A296-A300 VanDerWaalsContact O-O 3.06Å; A296-A304 HydrophobicContact CB-CB 4.32Å
297W90.1Very high89.8Confident46 Ų4663.2 Ų63.217%0.17433%0.328CS..Hα-helixtrans-61.2-42176-167.4-86.9000112.8L193 A194 F293 Y294 Y295 A304 W305 T308L193-W297 VanDerWaalsContact O-CD1 3.32Å; L193-W297 PolarHBondContact O-NE1 3.02Å; A194-W297 HydrophobicContact CB-CB 3.98Å; A194-W297 VanDerWaalsContact CB-CD1 3.42Å; A194-W297 HydrophobicContact CB-CD2 3.39Å; A194-W297 HydrophobicContact CB-CE3 4.07Å; A194-W297 HydrophobicContact CB-CG 3.32Å; A194-W297 HydrophobicContact CB-CZ2 4.31Å; F293-W297 HydrophobicContact CE2-CE3 4.38Å; F293-W297 AromaticContact CZ-CE3 3.9Å; F293-W297 HydrophobicContact CZ-CE3 3.9Å; F293-W297 HydrophobicContact CZ-CZ3 4.39Å; F293-W297 PolarHBondContact O-N 3.37Å; Y294-W297 WeakPolarHBondContact O-CB 3.46Å; Y294-W297 PolarHBondContact O-N 3.46Å; Y295-W297 VanDerWaalsContact C-N 3.25Å; Y295-W297 PolarHBondContact O-N 2.77Å; W297-A304 HydrophobicContact CB-CB 4Å; W297-A304 HydrophobicContact CD2-CB 4.23Å; W297-A304 HydrophobicContact CE3-CB 3.63Å; W297-A304 HydrophobicContact CG-CB 4.42Å; W297-A304 HydrophobicContact CZ3-CB 4.43Å; W297-W305 AromaticContact CH2-CD2 3.92Å; W297-W305 HydrophobicContact CH2-CD2 3.92Å; W297-W305 AromaticContact CH2-CE2 3.64Å; W297-W305 HydrophobicContact CH2-CE3 4.08Å; W297-W305 AromaticContact CH2-CH2 3.75Å; W297-W305 HydrophobicContact CH2-CH2 3.75Å; W297-W305 AromaticContact CH2-CZ2 3.56Å; W297-W305 HydrophobicContact CH2-CZ2 3.56Å; W297-W305 AromaticContact CH2-CZ3 3.99Å; W297-W305 HydrophobicContact CH2-CZ3 3.99Å; W297-W305 HydrophobicContact CZ2-CH2 4.4Å; W297-W305 AromaticContact CZ2-CZ2 3.95Å; W297-W305 HydrophobicContact CZ2-CZ2 3.95Å; W297-W305 HydrophobicContact CZ3-CD2 4.16Å; W297-W305 HydrophobicContact CZ3-CE3 4.34Å; W297-T308 HydrophobicContact CZ3-CG2 4.25Å; W297-T308 VanDerWaalsContact CZ3-OG1 3.31Å; W297-T308 WeakPolarHBondContact CZ3-OG1 3.4Å
298Q90.3Very high89.6Confident101 Ų10160.1 Ų60.147%0.47232%0.315SS..Hα-helixtrans-74.4-37.5-178.7-169.263.23500113.2W284 Y294 Y295 A296W284-Q298 HydrophobicContact CH2-CB 4.24Å; Y294-Q298 PolarHBondContact O-N 3.19Å; Y294-Q298 VanDerWaalsContact O-N 3.13Å; Y295-Q298 PolarHBondContact O-N 2.76Å; A296-Q298 VanDerWaalsContact C-N 3.34Å; A296-Q298 PolarHBondContact O-N 3.35Å
299Y91.8Very high89.5Confident173 Ų17362.5 Ų62.568%0.67833%0.329SS*.Hα-helixtrans-115.6-16-168-59.1-69.8000114.7Y295Y295-Y299 HydrophobicContact CD1-CD2 4.04Å; Y295-Y299 AromaticContact CD1-CE2 3.75Å; Y295-Y299 HydrophobicContact CD1-CE2 3.75Å; Y295-Y299 HydrophobicContact CE1-CE2 4.26Å; Y295-Y299 VanDerWaalsContact O-CD2 3.28Å; Y295-Y299 WeakPolarHBondContact O-CD2 3.38Å; Y295-Y299 PolarHBondContact O-N 3.42Å
300A92.5Very high89.2Confident38 Ų3865 Ų6531%0.31433%0.334SS..  trans-14060.9-178.400000111.4A296 T302 V303 A304A296-A300 CarbonylContact O-C 3.58Å; A296-A300 WeakPolarHBondContact O-CA 3.31Å; A296-A300 PolarHBondContact O-N 2.98Å; A296-A300 VanDerWaalsContact O-O 3.06Å; A300-T302 VanDerWaalsContact C-N 3.28Å; A300-T302 PolarHBondContact O-N 2.8Å; A300-T302 VanDerWaalsContact O-N 3.12Å; A300-V303 HydrophobicContact CB-CB 4.24Å; A300-V303 HydrophobicContact CB-CG2 4.28Å; A300-V303 WeakPolarHBondContact O-CB 3.23Å; A300-V303 PolarHBondContact O-N 3.22Å; A300-A304 PolarHBondContact O-N 3.06Å
301P89.3Confident89Confident67 Ų6766.5 Ų66.544%0.43534%0.343SS..Hα-helixtrans-57.7-35.4-167.821.3-33.8000113.6V303 A304 W305P301-V303 VanDerWaalsContact C-N 3.35Å; P301-V303 PolarHBondContact O-N 3.12Å; P301-A304 PolarHBondContact O-N 3.24Å; P301-W305 WeakPolarHBondContact O-CB 3.43Å; P301-W305 PolarHBondContact O-N 2.9Å
302T91.1Very high88.7Confident120 Ų12066.9 Ų66.974%0.73635%0.346SS*.Hα-helixtrans-61.2-42.2176.5-52.60000112.3A300 A306A300-T302 VanDerWaalsContact C-N 3.28Å; A300-T302 PolarHBondContact O-N 2.8Å; A300-T302 VanDerWaalsContact O-N 3.12Å; T302-A306 PolarHBondContact O-N 3.14Å; T302-A306 VanDerWaalsContact O-N 3.15Å
303V88.4Confident88.5Confident86 Ų8670.7 Ų70.752%0.52136%0.356SS..Hα-helixtrans-67.9-44.2177178.80000109.8A300 P301 W305 A306 M307A300-V303 HydrophobicContact CB-CB 4.24Å; A300-V303 HydrophobicContact CB-CG2 4.28Å; A300-V303 WeakPolarHBondContact O-CB 3.23Å; A300-V303 PolarHBondContact O-N 3.22Å; P301-V303 VanDerWaalsContact C-N 3.35Å; P301-V303 PolarHBondContact O-N 3.12Å; V303-W305 PolarHBondContact O-N 3.25Å; V303-A306 WeakPolarHBondContact O-CB 3.29Å; V303-A306 PolarHBondContact O-N 2.8Å; V303-M307 HydrophobicContact CG1-SD 4.34Å; V303-M307 WeakPolarHBondContact O-CG 3.49Å; V303-M307 PolarHBondContact O-N 3.32Å
304A88.8Confident88.4Confident0 Ų073.9 Ų73.90%037%0.37CS..Hα-helixtrans-63.2-40.918000000112.3A296 W297 A300 P301 M307 T308A296-A304 HydrophobicContact CB-CB 4.32Å; W297-A304 HydrophobicContact CB-CB 4Å; W297-A304 HydrophobicContact CD2-CB 4.23Å; W297-A304 HydrophobicContact CE3-CB 3.63Å; W297-A304 HydrophobicContact CG-CB 4.42Å; W297-A304 HydrophobicContact CZ3-CB 4.43Å; A300-A304 PolarHBondContact O-N 3.06Å; P301-A304 PolarHBondContact O-N 3.24Å; A304-M307 PolarHBondContact O-N 2.76Å; A304-T308 WeakPolarHBondContact O-CB 3.08Å; A304-T308 PolarHBondContact O-N 2.97Å; A304-T308 PolarHBondContact O-OG1 3.48Å
305W88.8Confident88.3Confident132 Ų13273.8 Ų73.850%0.537%0.369SS..Hα-helixtrans-63.4-40173.8-84.4114.5000112.6W297 P301 V303 M307 T308 N309W297-W305 AromaticContact CH2-CD2 3.92Å; W297-W305 HydrophobicContact CH2-CD2 3.92Å; W297-W305 AromaticContact CH2-CE2 3.64Å; W297-W305 HydrophobicContact CH2-CE3 4.08Å; W297-W305 AromaticContact CH2-CH2 3.75Å; W297-W305 HydrophobicContact CH2-CH2 3.75Å; W297-W305 AromaticContact CH2-CZ2 3.56Å; W297-W305 HydrophobicContact CH2-CZ2 3.56Å; W297-W305 AromaticContact CH2-CZ3 3.99Å; W297-W305 HydrophobicContact CH2-CZ3 3.99Å; W297-W305 HydrophobicContact CZ2-CH2 4.4Å; W297-W305 AromaticContact CZ2-CZ2 3.95Å; W297-W305 HydrophobicContact CZ2-CZ2 3.95Å; W297-W305 HydrophobicContact CZ3-CD2 4.16Å; W297-W305 HydrophobicContact CZ3-CE3 4.34Å; P301-W305 WeakPolarHBondContact O-CB 3.43Å; P301-W305 PolarHBondContact O-N 2.9Å; V303-W305 PolarHBondContact O-N 3.25Å; W305-M307 VanDerWaalsContact C-N 3.34Å; W305-M307 PolarHBondContact O-N 2.72Å; W305-T308 PolarHBondContact O-N 2.88Å; W305-N309 WeakPolarHBondContact O-CB 3.37Å; W305-N309 PolarHBondContact O-N 2.98Å; W305-N309 PolarHBondContact O-ND2 2.99Å
306A87.9Confident88.3Confident63 Ų6373 Ų7352%0.52137%0.37SS..Hα-helixtrans-59.3-45.5174.400000111.4T302 V303 Q310T302-A306 PolarHBondContact O-N 3.14Å; T302-A306 VanDerWaalsContact O-N 3.15Å; V303-A306 WeakPolarHBondContact O-CB 3.29Å; V303-A306 PolarHBondContact O-N 2.8Å; A306-Q310 PolarHBondContact O-N 3.44Å
307M85.4Confident88.2Confident57 Ų5777.4 Ų77.428%0.28139%0.387SS..Hα-helixtrans-63.9-46.4175.8-65.6174.769.400112.3F293 V303 A304 W305 N309 Q310 L311F293-M307 HydrophobicContact CB-CE 4.39Å; F293-M307 HydrophobicContact CD2-CB 4.25Å; F293-M307 HydrophobicContact CD2-CE 3.99Å; F293-M307 HydrophobicContact CD2-SD 4.3Å; F293-M307 HydrophobicContact CE2-CB 4.23Å; V303-M307 HydrophobicContact CG1-SD 4.34Å; V303-M307 WeakPolarHBondContact O-CG 3.49Å; V303-M307 PolarHBondContact O-N 3.32Å; A304-M307 PolarHBondContact O-N 2.76Å; W305-M307 VanDerWaalsContact C-N 3.34Å; W305-M307 PolarHBondContact O-N 2.72Å; M307-N309 VanDerWaalsContact C-N 3.34Å; M307-N309 PolarHBondContact O-N 3.33Å; M307-Q310 PolarHBondContact O-N 3.03Å; M307-L311 PolarHBondContact O-N 2.91Å
308T86.4Confident88.1Confident19 Ų1977 Ų7712%0.11739%0.388CS..Hα-helixtrans-62.8-38.7-180-660000112.4F293 W297 A304 W305 Q310 G312F293-T308 WeakPolarHBondContact CE2-OG1 3.43Å; F293-T308 WeakPolarHBondContact CZ-OG1 3.31Å; W297-T308 HydrophobicContact CZ3-CG2 4.25Å; W297-T308 VanDerWaalsContact CZ3-OG1 3.31Å; W297-T308 WeakPolarHBondContact CZ3-OG1 3.4Å; A304-T308 WeakPolarHBondContact O-CB 3.08Å; A304-T308 PolarHBondContact O-N 2.97Å; A304-T308 PolarHBondContact O-OG1 3.48Å; W305-T308 PolarHBondContact O-N 2.88Å; T308-Q310 VanDerWaalsContact C-N 3.27Å; T308-Q310 PolarHBondContact O-N 3.49Å; T308-G312 VanDerWaalsContact O-CA 3.22Å; T308-G312 WeakPolarHBondContact O-CA 3.47Å; T308-G312 PolarHBondContact O-N 3.37Å
309N86.4Confident88Confident103 Ų10374.8 Ų74.855%0.55138%0.377SS*.Hα-helixtrans-63-37.1177.9-74-19.7000111.8W305 M307 R313W305-N309 WeakPolarHBondContact O-CB 3.37Å; W305-N309 PolarHBondContact O-N 2.98Å; W305-N309 PolarHBondContact O-ND2 2.99Å; M307-N309 VanDerWaalsContact C-N 3.34Å; M307-N309 PolarHBondContact O-N 3.33Å; N309-R313 VanDerWaalsContact O-CB 3.27Å; N309-R313 WeakPolarHBondContact O-CB 3.43Å; N309-R313 PolarHBondContact O-N 2.98Å
310Q83.6Confident87.8Confident130 Ų13073.7 Ų73.761%0.60738%0.376SS*.Hα-helixtrans-74.6-52.3177.9-168.1-177.917.200112.1A306 M307 T308 K314A306-Q310 PolarHBondContact O-N 3.44Å; M307-Q310 PolarHBondContact O-N 3.03Å; T308-Q310 VanDerWaalsContact C-N 3.27Å; T308-Q310 PolarHBondContact O-N 3.49Å; Q310-K314 PolarHBondContact O-N 2.72Å
311L84Confident87.5Confident51 Ų5175.4 Ų75.427%0.26739%0.39SS..Hα-helixtrans-70-40.8-177.8-68.3173.5000112M307 R313 K314 R315 Y329M307-L311 PolarHBondContact O-N 2.91Å; L311-R313 PolarHBondContact O-N 3.42Å; L311-K314 PolarHBondContact O-N 3.46Å; L311-R315 PolarHBondContact O-N 3.31Å; L311-Y329 HydrophobicContact CB-CD1 4.27Å; L311-Y329 HydrophobicContact CB-CE1 3.96Å; L311-Y329 HydrophobicContact CD1-CD1 4.27Å; L311-Y329 HydrophobicContact CD1-CE1 4.42Å; L311-Y329 HydrophobicContact CD2-CD1 4.47Å
312G85.2Confident87.1Confident8 Ų874.3 Ų74.38%0.08239%0.39CS..Hα-helixtrans-64.3-38.9179.100000112.4T308 R315 V316T308-G312 VanDerWaalsContact O-CA 3.22Å; T308-G312 WeakPolarHBondContact O-CA 3.47Å; T308-G312 PolarHBondContact O-N 3.37Å; G312-R315 PolarHBondContact O-N 3.17Å; G312-V316 WeakPolarHBondContact O-CG2 3.35Å; G312-V316 PolarHBondContact O-N 3.3Å
313R87.8Confident86.7Confident177 Ų17771.9 Ų71.967%0.66838%0.375SS*.Hα-helixtrans-58.8-48.8173.1-176-177.4-66.9-170.2-1.6111.3N309 L311 R315 V316 Q317N309-R313 VanDerWaalsContact O-CB 3.27Å; N309-R313 WeakPolarHBondContact O-CB 3.43Å; N309-R313 PolarHBondContact O-N 2.98Å; L311-R313 PolarHBondContact O-N 3.42Å; R313-R315 PolarHBondContact O-N 2.94Å; R313-V316 PolarHBondContact O-N 3.28Å; R313-Q317 WeakPolarHBondContact O-CB 3.17Å; R313-Q317 VanDerWaalsContact O-CG 3.29Å; R313-Q317 WeakPolarHBondContact O-CG 3.33Å; R313-Q317 PolarHBondContact O-N 3.49Å
314K86.7Confident86.4Confident90 Ų9069.1 Ų69.139%0.39136%0.358SS..Hα-helixtrans-60.9-44.2177.4-71.1-177179-179.20111.8Q310 L311 V316 Q317 N318 A328Q310-K314 PolarHBondContact O-N 2.72Å; L311-K314 PolarHBondContact O-N 3.46Å; K314-V316 PolarHBondContact O-N 3Å; K314-Q317 PolarHBondContact O-N 3.17Å; K314-N318 WeakPolarHBondContact O-CB 3.24Å; K314-N318 VanDerWaalsContact O-CG 3.3Å; K314-N318 PolarHBondContact O-N 2.8Å; K314-N318 PolarHBondContact O-OD1 2.94Å; K314-A328 HydrophobicContact CB-CB 3.88Å
315R87.9Confident85.9Confident16 Ų1669.2 Ų69.26%0.0636%0.359CS..Hα-helixtrans-60-44.1178.1-180164.4-176.8-149.5-10.9112.7R143 P197 L198 L311 G312 R313 F319 A325 D326 A328 Y329R143-R315 VanDerWaalsContact NH1-NH2 3.15Å; P197-R315 PolarHBondContact O-NH1 3.1Å; P197-R315 VanDerWaalsContact O-NH1 3.09Å; P197-R315 PolarHBondContact O-NH2 3.24Å; L198-R315 HydrophobicContact CD1-CG 4.11Å; L311-R315 PolarHBondContact O-N 3.31Å; G312-R315 PolarHBondContact O-N 3.17Å; R313-R315 PolarHBondContact O-N 2.94Å; R315-F319 PolarHBondContact O-N 3.07Å; R315-A325 HydrophobicContact CG-CB 3.95Å; R315-A325 WeakPolarHBondContact CG-O 3.08Å; R315-D326 IonicContact NE-OD1 3.3Å; R315-D326 IonicContact NH2-OD1 2.8Å; R315-A328 HydrophobicContact CB-CB 3.99Å; R315-Y329 VanDerWaalsContact CD-CE2 3.4Å; R315-Y329 VanDerWaalsContact CD-CZ 3.45Å; R315-Y329 WeakPolarHBondContact CD-OH 2.92Å; R315-Y329 PolarHBondContact NH1-OH 2.93Å
316V90.3Very high85.5Confident37 Ų3763.5 Ų63.522%0.22434%0.338CS..Hα-helixtrans-67-41.61771720000111.3L145 P197 G312 R313 K314 F319 K320L145-V316 HydrophobicContact CD2-CG1 4.07Å; L145-V316 HydrophobicContact CD2-CG2 4.21Å; P197-V316 HydrophobicContact CB-CG2 3.83Å; P197-V316 HydrophobicContact CG-CG2 4.45Å; G312-V316 WeakPolarHBondContact O-CG2 3.35Å; G312-V316 PolarHBondContact O-N 3.3Å; R313-V316 PolarHBondContact O-N 3.28Å; K314-V316 PolarHBondContact O-N 3Å; V316-F319 PolarHBondContact O-N 2.91Å; V316-K320 HydrophobicContact CG1-CD 4.27Å; V316-K320 WeakPolarHBondContact O-CG 3.34Å; V316-K320 PolarHBondContact O-N 3.31Å
317Q90.1Very high85.1Confident111 Ų11162.3 Ų62.352%0.51933%0.325SS..Hα-helixtrans-60.9-46.2175.7-74.8172.1-24.300111.6R313 K314 F319 K320 A321R313-Q317 WeakPolarHBondContact O-CB 3.17Å; R313-Q317 VanDerWaalsContact O-CG 3.29Å; R313-Q317 WeakPolarHBondContact O-CG 3.33Å; R313-Q317 PolarHBondContact O-N 3.49Å; K314-Q317 PolarHBondContact O-N 3.17Å; Q317-F319 PolarHBondContact O-N 2.79Å; Q317-K320 PolarHBondContact O-N 3.27Å; Q317-A321 WeakPolarHBondContact O-CB 3.4Å; Q317-A321 PolarHBondContact O-N 3.36Å
318N88.1Confident84.6Confident39 Ų3959.8 Ų59.821%0.20931%0.314CS..Hα-helixtrans-59-46.9176.7-78.111.3000111.6K314 K320 A321 G322 V323 S327K314-N318 WeakPolarHBondContact O-CB 3.24Å; K314-N318 VanDerWaalsContact O-CG 3.3Å; K314-N318 PolarHBondContact O-N 2.8Å; K314-N318 PolarHBondContact O-OD1 2.94Å; N318-K320 PolarHBondContact O-N 3.47Å; N318-A321 PolarHBondContact O-N 2.87Å; N318-G322 PolarHBondContact O-N 3.25Å; N318-V323 VanDerWaalsContact CA-CG2 3.48Å; N318-V323 HydrophobicContact CB-CG2 3.59Å; N318-V323 WeakPolarHBondContact O-CG2 3.19Å; N318-V323 PolarHBondContact O-N 3Å; N318-S327 PolarHBondContact ND2-OG 3.3Å
319F87.6Confident84.1Confident54 Ų5461.5 Ų61.524%0.23732%0.319CS..Hα-helixtrans-58.7-47.7176.2-178.1-102.1000112.4R143 L145 L198 R315 V316 Q317 A321 G322 A325R143-F319 HydrophobicContact CG-CE2 4.19Å; L145-F319 HydrophobicContact CD1-CD1 4.26Å; L145-F319 HydrophobicContact CD1-CE1 4.39Å; L145-F319 HydrophobicContact CG-CD1 4.2Å; L145-F319 HydrophobicContact CG-CE1 4.18Å; L198-F319 HydrophobicContact CD1-CB 3.73Å; L198-F319 HydrophobicContact CD1-CD2 3.7Å; L198-F319 HydrophobicContact CD1-CE2 4.45Å; L198-F319 HydrophobicContact CD1-CG 3.73Å; L198-F319 HydrophobicContact CD2-CB 4.1Å; L198-F319 HydrophobicContact CD2-CD1 3.55Å; L198-F319 HydrophobicContact CD2-CD2 4.08Å; L198-F319 HydrophobicContact CD2-CE1 3.93Å; L198-F319 HydrophobicContact CD2-CE2 4.4Å; L198-F319 HydrophobicContact CD2-CG 3.63Å; L198-F319 HydrophobicContact CD2-CZ 4.33Å; L198-F319 HydrophobicContact CG-CG 4.33Å; R315-F319 PolarHBondContact O-N 3.07Å; V316-F319 PolarHBondContact O-N 2.91Å; Q317-F319 PolarHBondContact O-N 2.79Å; F319-A321 VanDerWaalsContact C-N 3.27Å; F319-A321 PolarHBondContact O-N 3.09Å; F319-G322 PolarHBondContact O-N 3.03Å; F319-G322 VanDerWaalsContact O-N 3.09Å; F319-A325 HydrophobicContact CB-CB 3.94Å; F319-A325 HydrophobicContact CD2-CB 4.41Å
320K87.5Confident83.3Confident150 Ų15058.8 Ų58.865%0.65230%0.302SS*.Hα-helixtrans-64.5-30.5178.3-72.9-176.1175.7-1680113.2L145 V316 Q317 N318 G322L145-K320 HydrophobicContact CD1-CG 4.25Å; V316-K320 HydrophobicContact CG1-CD 4.27Å; V316-K320 WeakPolarHBondContact O-CG 3.34Å; V316-K320 PolarHBondContact O-N 3.31Å; Q317-K320 PolarHBondContact O-N 3.27Å; N318-K320 PolarHBondContact O-N 3.47Å; K320-G322 PolarHBondContact O-N 3Å
321A86.5Confident82.2Confident73 Ų7357.2 Ų57.260%0.60330%0.302SS*.THydrogen-bonded Turntrans-79.10.4176.700000113.3Q317 N318 F319 V323Q317-A321 WeakPolarHBondContact O-CB 3.4Å; Q317-A321 PolarHBondContact O-N 3.36Å; N318-A321 PolarHBondContact O-N 2.87Å; F319-A321 VanDerWaalsContact C-N 3.27Å; F319-A321 PolarHBondContact O-N 3.09Å; A321-V323 VanDerWaalsContact C-N 3.28Å; A321-V323 HydrophobicContact CB-CG2 4.4Å; A321-V323 PolarHBondContact O-N 3.29Å
322G81.6Confident80.5Confident44 Ų4463.7 Ų63.745%0.45433%0.327SS..THydrogen-bonded Turntrans67.329.9-177.200000112.9I255 N318 F319 K320I255-G322 VanDerWaalsContact CD1-CA 3.49Å; I255-G322 WeakPolarHBondContact CD1-O 3.38Å; N318-G322 PolarHBondContact O-N 3.25Å; F319-G322 PolarHBondContact O-N 3.03Å; F319-G322 VanDerWaalsContact O-N 3.09Å; K320-G322 PolarHBondContact O-N 3Å
323V82.6Confident78.3Confident69 Ų6968.8 Ų68.842%0.41836%0.359SS..SBendtrans-112166171.1-57.10000110.3N318 A321 A325N318-V323 VanDerWaalsContact CA-CG2 3.48Å; N318-V323 HydrophobicContact CB-CG2 3.59Å; N318-V323 WeakPolarHBondContact O-CG2 3.19Å; N318-V323 PolarHBondContact O-N 3Å; A321-V323 VanDerWaalsContact C-N 3.28Å; A321-V323 HydrophobicContact CB-CG2 4.4Å; A321-V323 PolarHBondContact O-N 3.29Å; V323-A325 PolarHBondContact O-N 3.48Å
324D80.5Confident75.8Confident29 Ų2970 Ų7016%0.15537%0.369CS..  trans-58.4114.4178.1174.526.5000111.1R143 D326 S327R143-D324 IonicContact NH2-OD1 3.53Å; D324-D326 PolarHBondContact O-N 3.23Å; D324-D326 PolarHBondContact OD1-N 3.03Å; D324-S327 WeakPolarHBondContact O-CB 3.35Å; D324-S327 PolarHBondContact O-N 3.09Å; D324-S327 PolarHBondContact O-OG 3.36Å; D324-S327 PolarHBondContact OD2-N 3.47Å
325A79.2Confident73.3Confident2 Ų272.5 Ų72.52%0.01739%0.392CS..G310 helixtrans-63.9-29179.800000112.5L198 R315 F319 V323 S327 A328L198-A325 HydrophobicContact CD1-CB 3.55Å; R315-A325 HydrophobicContact CG-CB 3.95Å; R315-A325 WeakPolarHBondContact CG-O 3.08Å; F319-A325 HydrophobicContact CB-CB 3.94Å; F319-A325 HydrophobicContact CD2-CB 4.41Å; V323-A325 PolarHBondContact O-N 3.48Å; A325-S327 VanDerWaalsContact C-N 3.3Å; A325-S327 PolarHBondContact O-N 3.4Å; A325-A328 WeakPolarHBondContact O-CB 3.37Å; A325-A328 PolarHBondContact O-N 3.34Å
326D80.8Confident70.8Confident12 Ų1280.4 Ų80.46%0.06445%0.45CS..G310 helixtrans-72.7-25.4-178.6-70.6-3.5000111.9R143 K262 R315 D324 A328 Y329 F330R143-D326 IonicContact CZ-OD1 2.69Å; R143-D326 IonicContact NH1-OD1 3.81Å; R143-D326 PolarHBondContact NH1-OD1 3.3Å; R143-D326 IonicContact NH1-OD2 3.06Å; R143-D326 IonicContact NH2-OD1 2.8Å; R143-D326 PolarHBondContact NH2-OD1 2.93Å; R143-D326 IonicContact NH2-OD2 3.57Å; K262-D326 IonicContact NZ-OD2 3.15Å; K262-D326 PolarHBondContact NZ-OD2 2.81Å; R315-D326 IonicContact NE-OD1 3.3Å; R315-D326 IonicContact NH2-OD1 2.8Å; D324-D326 PolarHBondContact O-N 3.23Å; D324-D326 PolarHBondContact OD1-N 3.03Å; D326-A328 PolarHBondContact O-N 2.86Å; D326-Y329 PolarHBondContact O-N 3Å; D326-F330 HydrophobicContact CB-CE2 4.24Å; D326-F330 WeakPolarHBondContact O-CD2 3.37Å
327S78.3Confident69.8Low37 Ų3782.6 Ų82.626%0.25946%0.461SS..G310 helixtrans-53.6-25.8176.369.10000113.6N318 D324 A325 Y329 F330 T331N318-S327 PolarHBondContact ND2-OG 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.35Å; D324-S327 PolarHBondContact O-N 3.09Å; D324-S327 PolarHBondContact O-OG 3.36Å; D324-S327 PolarHBondContact OD2-N 3.47Å; A325-S327 VanDerWaalsContact C-N 3.3Å; A325-S327 PolarHBondContact O-N 3.4Å; S327-Y329 PolarHBondContact O-N 3Å; S327-Y329 VanDerWaalsContact O-N 3.1Å; S327-F330 PolarHBondContact O-N 3.27Å; S327-F330 VanDerWaalsContact O-N 3.07Å; S327-T331 PolarHBondContact O-N 3.35Å
328A74.9Confident68.8Low5 Ų581.1 Ų81.14%0.04146%0.458CS..G310 helixtrans-57.8-23.1174.900000113.8K314 R315 A325 D326K314-A328 HydrophobicContact CB-CB 3.88Å; R315-A328 HydrophobicContact CB-CB 3.99Å; A325-A328 WeakPolarHBondContact O-CB 3.37Å; A325-A328 PolarHBondContact O-N 3.34Å; D326-A328 PolarHBondContact O-N 2.86Å
329Y75.8Confident67.7Low55 Ų5583.4 Ų83.422%0.21647%0.472CS..G310 helixtrans-96.2-15.6178.7-56.5-61000114.1F290 L311 R315 D326 S327F290-Y329 HydrophobicContact CE1-CD1 4.22Å; F290-Y329 HydrophobicContact CE1-CD2 4.24Å; F290-Y329 AromaticContact CE1-CG 3.88Å; F290-Y329 HydrophobicContact CE1-CG 3.88Å; F290-Y329 VanDerWaalsContact CZ-CB 3.44Å; F290-Y329 HydrophobicContact CZ-CD2 4.4Å; F290-Y329 AromaticContact CZ-CG 3.98Å; F290-Y329 HydrophobicContact CZ-CG 3.98Å; L311-Y329 HydrophobicContact CB-CD1 4.27Å; L311-Y329 HydrophobicContact CB-CE1 3.96Å; L311-Y329 HydrophobicContact CD1-CD1 4.27Å; L311-Y329 HydrophobicContact CD1-CE1 4.42Å; L311-Y329 HydrophobicContact CD2-CD1 4.47Å; R315-Y329 VanDerWaalsContact CD-CE2 3.4Å; R315-Y329 VanDerWaalsContact CD-CZ 3.45Å; R315-Y329 WeakPolarHBondContact CD-OH 2.92Å; R315-Y329 PolarHBondContact NH1-OH 2.93Å; D326-Y329 PolarHBondContact O-N 3Å; S327-Y329 PolarHBondContact O-N 3Å; S327-Y329 VanDerWaalsContact O-N 3.1Å
330F71.4Confident66.5Low46 Ų4685.1 Ų85.120%0.20249%0.486CS..THydrogen-bonded Turntrans-119.40.8-168.5-58.7-76.4000114.1P235 H261 K262 F290 D326 S327 K332P235-F330 HydrophobicContact CB-CZ 3.93Å; P235-F330 HydrophobicContact CG-CZ 4.15Å; H261-F330 HydrophobicContact CB-CB 3.99Å; H261-F330 HydrophobicContact CB-CD1 3.57Å; H261-F330 HydrophobicContact CB-CD2 4.41Å; H261-F330 HydrophobicContact CB-CE1 4.08Å; H261-F330 HydrophobicContact CB-CG 3.75Å; H261-F330 WeakPolarHBondContact O-CE1 3.02Å; K262-F330 HydrophobicContact CG-CE2 4.47Å; K262-F330 HydrophobicContact CG-CZ 4.02Å; F290-F330 HydrophobicContact CE2-CD1 4.19Å; F290-F330 AromaticContact CE2-CE1 3.38Å; F290-F330 HydrophobicContact CE2-CE1 3.38Å; F290-F330 AromaticContact CE2-CZ 3.6Å; F290-F330 HydrophobicContact CE2-CZ 3.6Å; F290-F330 HydrophobicContact CZ-CD1 4.46Å; F290-F330 AromaticContact CZ-CE1 3.72Å; F290-F330 HydrophobicContact CZ-CE1 3.72Å; F290-F330 HydrophobicContact CZ-CE2 4.13Å; F290-F330 AromaticContact CZ-CZ 3.5Å; F290-F330 HydrophobicContact CZ-CZ 3.5Å; F290-F330 VanDerWaalsContact CZ-CZ 3.5Å; D326-F330 HydrophobicContact CB-CE2 4.24Å; D326-F330 WeakPolarHBondContact O-CD2 3.37Å; S327-F330 PolarHBondContact O-N 3.27Å; S327-F330 VanDerWaalsContact O-N 3.07Å; F330-K332 PolarHBondContact O-N 2.6Å
331T59.4Low65.2Low97 Ų9781.1 Ų81.160%0.59548%0.475SS*.  trans-57.3114.2176410000110.4S327S327-T331 PolarHBondContact O-N 3.35Å
332K49.2Very low63.8Low186 Ų18681.6 Ų81.681%0.80947%0.467SS*.  trans-53.1141.7166.2-74.5-177.3177.41790108.6F330 K334F330-K332 PolarHBondContact O-N 2.6Å; K332-K334 PolarHBondContact O-N 2.92Å
333P38.3Very low62.5Low115 Ų11584.3 Ų84.375%0.74747%0.468SS*.  trans-53.7132.8166.421-26.5000107.5T335P333-T335 PolarHBondContact O-N 3.4Å
334K34.4Very low61Low202 Ų20285.5 Ų85.588%0.87847%0.472SS*.  trans-53.6112.3172.4-73.9-176.5175.9-176.30106.1K332 S336K332-K334 PolarHBondContact O-N 2.92Å; K334-S336 VanDerWaalsContact C-N 3.25Å; K334-S336 PolarHBondContact O-N 3.44Å
335T35.4Very low59.4Low143 Ų14390.2 Ų90.288%0.87750%0.498SS*.  trans-63.698.2163.444.40000105.3P333P333-T335 PolarHBondContact O-N 3.4Å
336S35.1Very low57.6Low182 Ų18298.2 Ų98.2100%1.27354%0.542SS*.  trans-71.80168.356.30000110K334K334-S336 VanDerWaalsContact C-N 3.25Å; K334-S336 PolarHBondContact O-N 3.44Å

Retrieved 336 of 336 residues in 87.6 ms (Link to these results)

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