A0A087YJF7_POEFO Loading...

(S)-2-hydroxy-acid oxidase

AlphaFold DB , UniProt , Accession A0A087YJF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M72.5Confident84.5Confident184 Ų18453.2 Ų53.291%0.90630%0.299SS*.  0138.90-175162.1167.700106.5
2A86.3Confident84.8Confident74 Ų7454.3 Ų54.361%0.61230%0.296SS*.  trans-69.5135.9175.200000109V4A2-V4 HydrophobicContact CB-CG1 4.2Å; A2-V4 PolarHBondContact O-N 3.17Å
3M87.7Confident85Confident13 Ų1350.2 Ų50.26%0.06427%0.273CS..  trans-93.497.3179.3-51.3-62.1-81.800108.4D8 F9 Y12 Y315M3-D8 HydrophobicContact CE-CB 3.98Å; M3-D8 VanDerWaalsContact CE-O 3.31Å; M3-D8 WeakPolarHBondContact CE-O 3.29Å; M3-D8 HydrophobicContact SD-CB 3.91Å; M3-F9 HydrophobicContact CB-CD2 4.17Å; M3-F9 HydrophobicContact CB-CE1 4.07Å; M3-F9 HydrophobicContact CB-CE2 3.5Å; M3-F9 VanDerWaalsContact CB-CE2 3.5Å; M3-F9 HydrophobicContact CB-CZ 3.44Å; M3-F9 VanDerWaalsContact CB-CZ 3.44Å; M3-F9 HydrophobicContact CE-CB 3.91Å; M3-F9 HydrophobicContact CE-CD1 3.51Å; M3-F9 HydrophobicContact CE-CD2 3.95Å; M3-F9 HydrophobicContact CE-CE1 3.97Å; M3-F9 HydrophobicContact CE-CE2 4.34Å; M3-F9 HydrophobicContact CE-CG 3.5Å; M3-F9 VanDerWaalsContact CE-CG 3.5Å; M3-F9 HydrophobicContact CE-CZ 4.35Å; M3-F9 HydrophobicContact CG-CE1 4.23Å; M3-F9 HydrophobicContact CG-CE2 4.42Å; M3-F9 HydrophobicContact CG-CZ 4.1Å; M3-Y12 HydrophobicContact CE-CG 4.33Å; M3-Y315 HydrophobicContact CB-CE1 4.47Å; M3-Y315 HydrophobicContact CE-CD2 3.91Å; M3-Y315 HydrophobicContact CE-CE2 4.03Å; M3-Y315 HydrophobicContact CE-CG 4.28Å; M3-Y315 HydrophobicContact CG-CD1 4.27Å; M3-Y315 HydrophobicContact CG-CD2 4.25Å; M3-Y315 HydrophobicContact CG-CE1 3.57Å; M3-Y315 HydrophobicContact CG-CE2 3.57Å; M3-Y315 VanDerWaalsContact CG-OH 3.25Å; M3-Y315 WeakPolarHBondContact CG-OH 3.37Å; M3-Y315 HydrophobicContact SD-CD2 4.28Å; M3-Y315 HydrophobicContact SD-CE2 3.78Å
4V88.9Confident85.3Confident102 Ų10255.3 Ų55.362%0.61829%0.291SS*.  trans-105.1-0.4-174.9-590000111.7A2 D8A2-V4 HydrophobicContact CB-CG1 4.2Å; A2-V4 PolarHBondContact O-N 3.17Å; V4-D8 WeakPolarHBondContact CG2-OD2 3.27Å; V4-D8 PolarHBondContact N-OD2 3.24Å
5C84.9Confident85.7Confident18 Ų1856.8 Ų56.812%0.12232%0.315CS..SBendtrans-162.7139.3-154.9149.50000111.1T7 D8 F9 R288C5-T7 PolarHBondContact O-N 2.67Å; C5-T7 VanDerWaalsContact O-N 3.09Å; C5-T7 WeakPolarHBondContact SG-CB 3.06Å; C5-T7 PolarHBondContact SG-N 3.18Å; C5-T7 PolarHBondContact SG-OG1 3.01Å; C5-D8 WeakPolarHBondContact CB-OD2 3.38Å; C5-D8 PolarHBondContact N-OD2 2.98Å; C5-D8 WeakPolarHBondContact O-CB 3.27Å; C5-D8 PolarHBondContact O-N 2.75Å; C5-D8 PolarHBondContact SG-OD1 2.65Å; C5-F9 VanDerWaalsContact O-CD2 3.28Å; C5-F9 WeakPolarHBondContact O-CD2 3.12Å; C5-F9 PolarHBondContact O-N 3.39Å; C5-R288 PolarHBondContact SG-NH2 3.08Å
6L81.8Confident86.1Confident10 Ų1059.8 Ų59.85%0.05233%0.325CS..Hα-helixtrans-56.4-28.9178.1-9066.1000112.6D8 F9 E10 I280 V283 V324 I327 L328L6-D8 VanDerWaalsContact C-N 3.28Å; L6-D8 PolarHBondContact O-N 3.48Å; L6-F9 PolarHBondContact O-N 2.83Å; L6-E10 PolarHBondContact O-N 3.1Å; L6-I280 HydrophobicContact CD2-CD1 4.31Å; L6-I280 HydrophobicContact CD2-CG2 4.39Å; L6-V283 HydrophobicContact CB-CG1 4.16Å; L6-V283 HydrophobicContact CB-CG2 4.03Å; L6-V324 HydrophobicContact CD1-CG1 4.06Å; L6-V324 HydrophobicContact CG-CG1 4.12Å; L6-I327 HydrophobicContact CD1-CG2 3.99Å; L6-L328 HydrophobicContact CD1-CD2 3.86Å; L6-L328 HydrophobicContact CD1-CG 3.98Å; L6-L328 HydrophobicContact CD2-CD1 4.43Å; L6-L328 HydrophobicContact CD2-CD2 3.85Å; L6-L328 HydrophobicContact CD2-CG 4.38Å
7T83.5Confident86.3Confident27 Ų2757.3 Ų57.317%0.16631%0.312CS..Hα-helixtrans-66.8-35.2178-450000111C5 F9 E10 E11 V283C5-T7 PolarHBondContact O-N 2.67Å; C5-T7 VanDerWaalsContact O-N 3.09Å; C5-T7 WeakPolarHBondContact SG-CB 3.06Å; C5-T7 PolarHBondContact SG-N 3.18Å; C5-T7 PolarHBondContact SG-OG1 3.01Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 2.85Å; T7-E10 WeakPolarHBondContact O-CB 3.45Å; T7-E10 PolarHBondContact O-N 3.03Å; T7-E10 VanDerWaalsContact O-N 3.15Å; T7-E11 HydrophobicContact CG2-CG 4.29Å; T7-E11 WeakPolarHBondContact O-CB 3.42Å; T7-E11 WeakPolarHBondContact O-CG 3.45Å; T7-E11 PolarHBondContact O-N 3.47Å; T7-V283 HydrophobicContact CG2-CG2 4.35Å; T7-V283 VanDerWaalsContact N-CG2 3.33Å; T7-V283 WeakPolarHBondContact OG1-CB 3.42Å; T7-V283 WeakPolarHBondContact OG1-CG1 3.22Å; T7-V283 WeakPolarHBondContact OG1-CG2 3.41Å
8D86.9Confident86.7Confident21 Ų2157.9 Ų57.911%0.11232%0.321CS..Hα-helixtrans-64.1-41.2179.2-49.5-10.7000109.3M3 V4 C5 L6 E11 Y12M3-D8 HydrophobicContact CE-CB 3.98Å; M3-D8 VanDerWaalsContact CE-O 3.31Å; M3-D8 WeakPolarHBondContact CE-O 3.29Å; M3-D8 HydrophobicContact SD-CB 3.91Å; V4-D8 WeakPolarHBondContact CG2-OD2 3.27Å; V4-D8 PolarHBondContact N-OD2 3.24Å; C5-D8 WeakPolarHBondContact CB-OD2 3.38Å; C5-D8 PolarHBondContact N-OD2 2.98Å; C5-D8 WeakPolarHBondContact O-CB 3.27Å; C5-D8 PolarHBondContact O-N 2.75Å; C5-D8 PolarHBondContact SG-OD1 2.65Å; L6-D8 VanDerWaalsContact C-N 3.28Å; L6-D8 PolarHBondContact O-N 3.48Å; D8-E11 PolarHBondContact O-N 3.04Å; D8-Y12 VanDerWaalsContact O-CB 3.29Å; D8-Y12 WeakPolarHBondContact O-CB 3.28Å; D8-Y12 PolarHBondContact O-N 2.71Å
9F86Confident87Confident0 Ų061.8 Ų61.80%033%0.334CS..Hα-helixtrans-64.5-41.3174.5-68-90.2000111.7M3 C5 L6 T7 Y12 A13 S311 C312 Y315 E323 V324 I327M3-F9 HydrophobicContact CB-CD2 4.17Å; M3-F9 HydrophobicContact CB-CE1 4.07Å; M3-F9 HydrophobicContact CB-CE2 3.5Å; M3-F9 VanDerWaalsContact CB-CE2 3.5Å; M3-F9 HydrophobicContact CB-CZ 3.44Å; M3-F9 VanDerWaalsContact CB-CZ 3.44Å; M3-F9 HydrophobicContact CE-CB 3.91Å; M3-F9 HydrophobicContact CE-CD1 3.51Å; M3-F9 HydrophobicContact CE-CD2 3.95Å; M3-F9 HydrophobicContact CE-CE1 3.97Å; M3-F9 HydrophobicContact CE-CE2 4.34Å; M3-F9 HydrophobicContact CE-CG 3.5Å; M3-F9 VanDerWaalsContact CE-CG 3.5Å; M3-F9 HydrophobicContact CE-CZ 4.35Å; M3-F9 HydrophobicContact CG-CE1 4.23Å; M3-F9 HydrophobicContact CG-CE2 4.42Å; M3-F9 HydrophobicContact CG-CZ 4.1Å; C5-F9 VanDerWaalsContact O-CD2 3.28Å; C5-F9 WeakPolarHBondContact O-CD2 3.12Å; C5-F9 PolarHBondContact O-N 3.39Å; L6-F9 PolarHBondContact O-N 2.83Å; T7-F9 VanDerWaalsContact C-N 3.27Å; T7-F9 PolarHBondContact O-N 2.85Å; F9-Y12 PolarHBondContact O-N 2.77Å; F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.84Å; F9-S311 VanDerWaalsContact C-CB 3.45Å; F9-C312 HydrophobicContact CD1-CB 4.23Å; F9-Y315 HydrophobicContact CD1-CD1 4.17Å; F9-Y315 HydrophobicContact CD1-CG 4.18Å; F9-Y315 AromaticContact CE1-CD1 3.58Å; F9-Y315 HydrophobicContact CE1-CD1 3.58Å; F9-Y315 HydrophobicContact CE1-CE1 4.14Å; F9-Y315 HydrophobicContact CE1-CG 4.06Å; F9-E323 HydrophobicContact CZ-CB 4.15Å; F9-E323 HydrophobicContact CZ-CG 3.87Å; F9-V324 HydrophobicContact CB-CG2 4.49Å; F9-V324 HydrophobicContact CD1-CG2 3.81Å; F9-V324 HydrophobicContact CD2-CG2 3.43Å; F9-V324 VanDerWaalsContact CD2-CG2 3.43Å; F9-V324 HydrophobicContact CE1-CG2 3.75Å; F9-V324 HydrophobicContact CE2-CG2 3.39Å; F9-V324 HydrophobicContact CG-CG2 3.66Å; F9-V324 HydrophobicContact CZ-CG2 3.55Å; F9-I327 HydrophobicContact CE2-CD1 3.61Å; F9-I327 HydrophobicContact CZ-CD1 4.18Å
10E83.8Confident87.4Confident24 Ų2460.4 Ų60.411%0.11233%0.331CS..Hα-helixtrans-61.4-47.5176.9-171-173.4154.900111.2L6 T7 A13 K14 W22 R282 V283L6-E10 PolarHBondContact O-N 3.1Å; T7-E10 WeakPolarHBondContact O-CB 3.45Å; T7-E10 PolarHBondContact O-N 3.03Å; T7-E10 VanDerWaalsContact O-N 3.15Å; E10-A13 PolarHBondContact O-N 2.98Å; E10-K14 WeakPolarHBondContact O-CB 3.45Å; E10-K14 PolarHBondContact O-N 3.01Å; E10-W22 HydrophobicContact CG-CH2 3.48Å; E10-W22 VanDerWaalsContact CG-CH2 3.48Å; E10-W22 HydrophobicContact CG-CZ2 4.43Å; E10-W22 HydrophobicContact CG-CZ3 4.21Å; E10-R282 WeakPolarHBondContact OE1-CG 3.33Å; E10-R282 IonicContact OE1-NE 3.44Å; E10-R282 WeakPolarHBondContact OE2-CA 3.45Å; E10-V283 HydrophobicContact CB-CG2 4.2Å; E10-V283 WeakPolarHBondContact OE2-CG2 3.26Å; E10-V283 PolarHBondContact OE2-N 3Å
11E87.1Confident87.6Confident112 Ų11258.1 Ų58.152%0.52332%0.319SS..Hα-helixtrans-64-42177.6-72.6179.217800111.7T7 D8 K14 A15T7-E11 HydrophobicContact CG2-CG 4.29Å; T7-E11 WeakPolarHBondContact O-CB 3.42Å; T7-E11 WeakPolarHBondContact O-CG 3.45Å; T7-E11 PolarHBondContact O-N 3.47Å; D8-E11 PolarHBondContact O-N 3.04Å; E11-K14 PolarHBondContact O-N 3.35Å; E11-A15 WeakPolarHBondContact O-CB 3.45Å; E11-A15 PolarHBondContact O-N 2.91Å; E11-A15 VanDerWaalsContact O-N 3.08Å
12Y88.8Confident88.5Confident67 Ų6750 Ų5026%0.26328%0.279SS..Hα-helixtrans-59.9-50.6174.3-176.2-84.6000111M3 D8 F9 K14 A15 H16 I314 Y315M3-Y12 HydrophobicContact CE-CG 4.33Å; D8-Y12 VanDerWaalsContact O-CB 3.29Å; D8-Y12 WeakPolarHBondContact O-CB 3.28Å; D8-Y12 PolarHBondContact O-N 2.71Å; F9-Y12 PolarHBondContact O-N 2.77Å; Y12-K14 VanDerWaalsContact C-N 3.33Å; Y12-K14 PolarHBondContact O-N 3.24Å; Y12-A15 WeakPolarHBondContact O-CB 3.37Å; Y12-A15 PolarHBondContact O-N 2.71Å; Y12-H16 AromaticContact CD1-ND1 3.61Å; Y12-H16 AromaticContact CD2-CE1 3.45Å; Y12-H16 VanDerWaalsContact CD2-CE1 3.45Å; Y12-H16 WeakPolarHBondContact CD2-CE1 3.28Å; Y12-H16 AromaticContact CD2-ND1 3.67Å; Y12-H16 HydrophobicContact CE1-CB 4.16Å; Y12-H16 AromaticContact CE1-CE1 3.95Å; Y12-H16 AromaticContact CE1-CG 3.7Å; Y12-H16 AromaticContact CE1-ND1 3.53Å; Y12-H16 AromaticContact CE2-CE1 3.17Å; Y12-H16 WeakPolarHBondContact CE2-CE1 3.48Å; Y12-H16 AromaticContact CE2-ND1 3.61Å; Y12-H16 AromaticContact CE2-NE2 3.65Å; Y12-H16 AromaticContact CG-CE1 3.95Å; Y12-H16 AromaticContact CG-ND1 3.67Å; Y12-H16 AromaticContact CZ-CD2 3.84Å; Y12-H16 AromaticContact CZ-CE1 3.45Å; Y12-H16 VanDerWaalsContact CZ-CE1 3.45Å; Y12-H16 AromaticContact CZ-CG 3.79Å; Y12-H16 AromaticContact CZ-ND1 3.54Å; Y12-H16 AromaticContact CZ-NE2 3.65Å; Y12-H16 PolarHBondContact O-N 2.82Å; Y12-H16 PolarHBondContact O-ND1 3.16Å; Y12-I314 HydrophobicContact CD1-CG2 4.38Å; Y12-Y315 AromaticContact CD1-CD2 3.76Å; Y12-Y315 HydrophobicContact CD1-CD2 3.76Å; Y12-Y315 HydrophobicContact CD1-CG 4.41Å; Y12-Y315 AromaticContact CD2-CD2 3.74Å; Y12-Y315 HydrophobicContact CD2-CD2 3.74Å; Y12-Y315 HydrophobicContact CD2-CE2 4.05Å; Y12-Y315 AromaticContact CE1-CD2 3.71Å; Y12-Y315 HydrophobicContact CE1-CD2 3.71Å; Y12-Y315 HydrophobicContact CE1-CG 4.38Å; Y12-Y315 AromaticContact CE2-CD2 3.66Å; Y12-Y315 HydrophobicContact CE2-CD2 3.66Å; Y12-Y315 AromaticContact CE2-CE2 3.93Å; Y12-Y315 HydrophobicContact CE2-CE2 3.93Å; Y12-Y315 AromaticContact CG-CD2 3.78Å; Y12-Y315 HydrophobicContact CG-CD2 3.78Å; Y12-Y315 HydrophobicContact CG-CE2 4.48Å; Y12-Y315 AromaticContact CZ-CD2 3.65Å
13A87.2Confident88.8Confident0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-61.7-41.5179.600000112.8F9 E10 A15 H16 L17 W22 I310 I314F9-A13 WeakPolarHBondContact O-CB 3.32Å; F9-A13 PolarHBondContact O-N 2.84Å; E10-A13 PolarHBondContact O-N 2.98Å; A13-A15 PolarHBondContact O-N 2.74Å; A13-H16 PolarHBondContact O-N 3.4Å; A13-L17 HydrophobicContact CB-CD1 4.03Å; A13-L17 HydrophobicContact CB-CG 4.49Å; A13-L17 VanDerWaalsContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.44Å; A13-W22 HydrophobicContact CB-CE3 4.32Å; A13-W22 HydrophobicContact CB-CZ3 4.08Å; A13-I310 WeakPolarHBondContact CB-O 3.31Å; A13-I314 HydrophobicContact CB-CG2 3.71Å
14K88.4Confident89Confident122 Ų12247.4 Ų47.453%0.5325%0.254SS..Hα-helixtrans-58.7-34.1174.1-176.2177.3178.1-167.90112.7E10 E11 Y12 W22E10-K14 WeakPolarHBondContact O-CB 3.45Å; E10-K14 PolarHBondContact O-N 3.01Å; E11-K14 PolarHBondContact O-N 3.35Å; Y12-K14 VanDerWaalsContact C-N 3.33Å; Y12-K14 PolarHBondContact O-N 3.24Å; K14-W22 VanDerWaalsContact CA-CE3 3.5Å; K14-W22 HydrophobicContact CB-CD2 3.74Å; K14-W22 HydrophobicContact CB-CE3 3.84Å; K14-W22 HydrophobicContact CB-CG 4.46Å; K14-W22 HydrophobicContact CB-CH2 3.96Å; K14-W22 HydrophobicContact CB-CZ2 3.84Å; K14-W22 HydrophobicContact CB-CZ3 3.94Å; K14-W22 HydrophobicContact CD-CZ2 3.95Å; K14-W22 HydrophobicContact CG-CD2 3.9Å; K14-W22 HydrophobicContact CG-CE3 4.49Å; K14-W22 HydrophobicContact CG-CG 4.24Å; K14-W22 HydrophobicContact CG-CZ2 4Å
15A91.6Very high89Confident78 Ų7842.7 Ų42.765%0.64523%0.225SC*.Hα-helixtrans-79.4-24.8178.700000113.8E11 Y12 A13E11-A15 WeakPolarHBondContact O-CB 3.45Å; E11-A15 PolarHBondContact O-N 2.91Å; E11-A15 VanDerWaalsContact O-N 3.08Å; Y12-A15 WeakPolarHBondContact O-CB 3.37Å; Y12-A15 PolarHBondContact O-N 2.71Å; A13-A15 PolarHBondContact O-N 2.74Å
16H91.7Very high89.2Confident104 Ų10442 Ų4248%0.48122%0.221SC..Hα-helixtrans-111.1-21.6-171.5-65.981.8000114.6Y12 A13 I314Y12-H16 AromaticContact CD1-ND1 3.61Å; Y12-H16 AromaticContact CD2-CE1 3.45Å; Y12-H16 VanDerWaalsContact CD2-CE1 3.45Å; Y12-H16 WeakPolarHBondContact CD2-CE1 3.28Å; Y12-H16 AromaticContact CD2-ND1 3.67Å; Y12-H16 HydrophobicContact CE1-CB 4.16Å; Y12-H16 AromaticContact CE1-CE1 3.95Å; Y12-H16 AromaticContact CE1-CG 3.7Å; Y12-H16 AromaticContact CE1-ND1 3.53Å; Y12-H16 AromaticContact CE2-CE1 3.17Å; Y12-H16 WeakPolarHBondContact CE2-CE1 3.48Å; Y12-H16 AromaticContact CE2-ND1 3.61Å; Y12-H16 AromaticContact CE2-NE2 3.65Å; Y12-H16 AromaticContact CG-CE1 3.95Å; Y12-H16 AromaticContact CG-ND1 3.67Å; Y12-H16 AromaticContact CZ-CD2 3.84Å; Y12-H16 AromaticContact CZ-CE1 3.45Å; Y12-H16 VanDerWaalsContact CZ-CE1 3.45Å; Y12-H16 AromaticContact CZ-CG 3.79Å; Y12-H16 AromaticContact CZ-ND1 3.54Å; Y12-H16 AromaticContact CZ-NE2 3.65Å; Y12-H16 PolarHBondContact O-N 2.82Å; Y12-H16 PolarHBondContact O-ND1 3.16Å; A13-H16 PolarHBondContact O-N 3.4Å; H16-I314 HydrophobicContact CB-CG1 4.15Å
17L90Very high89.5Confident18 Ų1841.7 Ų41.79%0.09422%0.219CC..SBendtrans-80.1152.2174.6-66.9173.9000111A13 T21 W22 Y25 A84 I314A13-L17 HydrophobicContact CB-CD1 4.03Å; A13-L17 HydrophobicContact CB-CG 4.49Å; A13-L17 VanDerWaalsContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 VanDerWaalsContact O-CG 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.44Å; L17-T21 HydrophobicContact CB-CG2 4.4Å; L17-T21 HydrophobicContact CD1-CG2 4.26Å; L17-T21 HydrophobicContact CD2-CG2 3.98Å; L17-T21 HydrophobicContact CG-CG2 4.45Å; L17-W22 HydrophobicContact CB-CB 4.14Å; L17-W22 HydrophobicContact CD1-CE3 4.31Å; L17-Y25 HydrophobicContact CD1-CD2 4.09Å; L17-Y25 HydrophobicContact CD1-CE2 4.43Å; L17-A84 HydrophobicContact CD2-CB 4.43Å; L17-I314 HydrophobicContact CD2-CB 4.18Å; L17-I314 HydrophobicContact CD2-CD1 3.95Å; L17-I314 HydrophobicContact CD2-CG1 3.87Å; L17-I314 HydrophobicContact CG-CG1 4.27Å
18S92.9Very high89.9Confident68 Ų6840.5 Ų40.548%0.47621%0.212SC..  trans-58.2149.2167.289.10000109.8A20 T21 W22S18-A20 PolarHBondContact O-N 2.86Å; S18-T21 PolarHBondContact O-N 3.37Å; S18-T21 VanDerWaalsContact O-N 3.1Å; S18-T21 WeakPolarHBondContact OG-CB 3.48Å; S18-T21 PolarHBondContact OG-N 2.87Å; S18-T21 VanDerWaalsContact OG-N 3.12Å; S18-T21 PolarHBondContact OG-OG1 3.28Å; S18-W22 WeakPolarHBondContact O-CB 3.26Å; S18-W22 PolarHBondContact O-N 3.31Å
19K93.9Very high90.3Very high133 Ų13339.5 Ų39.558%0.57821%0.207SC*.Hα-helixtrans-52.9-44177.9-177.5-173.6-179.8-55.50112.1D23 N171K19-D23 IonicContact NZ-OD2 2.77Å; K19-D23 PolarHBondContact NZ-OD2 3.44Å; K19-D23 WeakPolarHBondContact O-CB 3.19Å; K19-D23 VanDerWaalsContact O-CG 3.24Å; K19-D23 PolarHBondContact O-N 2.96Å; K19-N171 PolarHBondContact NZ-OD1 2.99Å
20A93.6Very high90.8Very high32 Ų3242.1 Ų42.126%0.26422%0.221SC..Hα-helixtrans-65-41.5-179.500000112S18 Y24 N171S18-A20 PolarHBondContact O-N 2.86Å; A20-Y24 WeakPolarHBondContact O-CB 3.43Å; A20-Y24 PolarHBondContact O-N 3.48Å; A20-N171 HydrophobicContact CB-CB 4.2Å
21T91.5Very high91.4Very high14 Ų1446.8 Ų46.89%0.08624%0.243CC..Hα-helixtrans-66.5-48.9176.7-560000111.8L17 S18 D23 Y24 Y25 L83L17-T21 HydrophobicContact CB-CG2 4.4Å; L17-T21 HydrophobicContact CD1-CG2 4.26Å; L17-T21 HydrophobicContact CD2-CG2 3.98Å; L17-T21 HydrophobicContact CG-CG2 4.45Å; S18-T21 PolarHBondContact O-N 3.37Å; S18-T21 VanDerWaalsContact O-N 3.1Å; S18-T21 WeakPolarHBondContact OG-CB 3.48Å; S18-T21 PolarHBondContact OG-N 2.87Å; S18-T21 VanDerWaalsContact OG-N 3.12Å; S18-T21 PolarHBondContact OG-OG1 3.28Å; T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 PolarHBondContact O-N 2.88Å; T21-Y24 WeakPolarHBondContact O-CB 3.29Å; T21-Y24 PolarHBondContact O-N 3.45Å; T21-Y25 HydrophobicContact CG2-CD2 3.81Å; T21-Y25 HydrophobicContact CG2-CE2 3.55Å; T21-Y25 VanDerWaalsContact O-CD2 3.25Å; T21-Y25 WeakPolarHBondContact O-CD2 3.47Å; T21-Y25 PolarHBondContact O-N 2.87Å; T21-Y25 VanDerWaalsContact O-N 3.14Å; T21-L83 HydrophobicContact CG2-CB 3.8Å
22W91.6Very high91.7Very high14 Ų1442.3 Ų42.35%0.05322%0.224CC..Hα-helixtrans-58.1-48176.6169-101.3000111.3E10 A13 K14 L17 S18 Y24 Y25 A26 I310E10-W22 HydrophobicContact CG-CH2 3.48Å; E10-W22 VanDerWaalsContact CG-CH2 3.48Å; E10-W22 HydrophobicContact CG-CZ2 4.43Å; E10-W22 HydrophobicContact CG-CZ3 4.21Å; A13-W22 HydrophobicContact CB-CE3 4.32Å; A13-W22 HydrophobicContact CB-CZ3 4.08Å; K14-W22 VanDerWaalsContact CA-CE3 3.5Å; K14-W22 HydrophobicContact CB-CD2 3.74Å; K14-W22 HydrophobicContact CB-CE3 3.84Å; K14-W22 HydrophobicContact CB-CG 4.46Å; K14-W22 HydrophobicContact CB-CH2 3.96Å; K14-W22 HydrophobicContact CB-CZ2 3.84Å; K14-W22 HydrophobicContact CB-CZ3 3.94Å; K14-W22 HydrophobicContact CD-CZ2 3.95Å; K14-W22 HydrophobicContact CG-CD2 3.9Å; K14-W22 HydrophobicContact CG-CE3 4.49Å; K14-W22 HydrophobicContact CG-CG 4.24Å; K14-W22 HydrophobicContact CG-CZ2 4Å; L17-W22 HydrophobicContact CB-CB 4.14Å; L17-W22 HydrophobicContact CD1-CE3 4.31Å; S18-W22 WeakPolarHBondContact O-CB 3.26Å; S18-W22 PolarHBondContact O-N 3.31Å; W22-Y24 VanDerWaalsContact C-N 3.34Å; W22-Y24 PolarHBondContact O-N 3.47Å; W22-Y25 PolarHBondContact O-N 3.5Å; W22-A26 HydrophobicContact CD2-CB 4.39Å; W22-A26 HydrophobicContact CH2-CB 4.3Å; W22-A26 HydrophobicContact CZ2-CB 3.79Å; W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.48Å; W22-A26 PolarHBondContact O-N 3.23Å; W22-I310 HydrophobicContact CE3-CG2 4.27Å; W22-I310 HydrophobicContact CH2-CG2 4.47Å; W22-I310 HydrophobicContact CZ3-CG2 3.73Å
23D92.7Very high92Very high18 Ų1842.4 Ų42.410%0.09623%0.234CC..Hα-helixtrans-64.1-38.6-179.6-80.3-15.3000112.4K19 T21 Y25 A27 N167 N171K19-D23 IonicContact NZ-OD2 2.77Å; K19-D23 PolarHBondContact NZ-OD2 3.44Å; K19-D23 WeakPolarHBondContact O-CB 3.19Å; K19-D23 VanDerWaalsContact O-CG 3.24Å; K19-D23 PolarHBondContact O-N 2.96Å; T21-D23 VanDerWaalsContact C-N 3.35Å; T21-D23 PolarHBondContact O-N 2.88Å; D23-Y25 VanDerWaalsContact C-N 3.33Å; D23-Y25 PolarHBondContact O-N 3.35Å; D23-A27 WeakPolarHBondContact O-CA 3.42Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.87Å; D23-N167 HydrophobicContact CB-CB 3.87Å; D23-N171 VanDerWaalsContact CB-ND2 3.28Å; D23-N171 WeakPolarHBondContact CB-ND2 3.41Å; D23-N171 PolarHBondContact OD2-ND2 3.45Å
24Y92.1Very high92.1Very high13 Ų1342.5 Ų42.55%0.05123%0.234CC..Hα-helixtrans-57.4-48174.5164.3-100.5000111.7A20 T21 W22 F80 L83 D168 F173 Y197 R254A20-Y24 WeakPolarHBondContact O-CB 3.43Å; A20-Y24 PolarHBondContact O-N 3.48Å; T21-Y24 WeakPolarHBondContact O-CB 3.29Å; T21-Y24 PolarHBondContact O-N 3.45Å; W22-Y24 VanDerWaalsContact C-N 3.34Å; W22-Y24 PolarHBondContact O-N 3.47Å; Y24-F80 AromaticContact CE1-CD2 3.88Å; Y24-F80 HydrophobicContact CE1-CD2 3.88Å; Y24-F80 HydrophobicContact CE2-CD2 4.39Å; Y24-F80 HydrophobicContact CE2-CE2 4.25Å; Y24-F80 AromaticContact CZ-CD2 3.6Å; Y24-F80 AromaticContact CZ-CE2 3.78Å; Y24-F80 VanDerWaalsContact OH-CD2 3.25Å; Y24-F80 WeakPolarHBondContact OH-CD2 3.49Å; Y24-F80 VanDerWaalsContact OH-CE2 3.25Å; Y24-F80 WeakPolarHBondContact OH-CE2 3.3Å; Y24-L83 HydrophobicContact CD1-CD1 4.23Å; Y24-L83 HydrophobicContact CE1-CD1 4.34Å; Y24-D168 WeakPolarHBondContact CA-OD1 3.33Å; Y24-F173 HydrophobicContact CD1-CE2 4.31Å; Y24-F173 HydrophobicContact CD1-CZ 4.09Å; Y24-F173 HydrophobicContact CD2-CD1 4.01Å; Y24-F173 HydrophobicContact CD2-CD2 4.35Å; Y24-F173 AromaticContact CD2-CE1 3.74Å; Y24-F173 HydrophobicContact CD2-CE1 3.74Å; Y24-F173 HydrophobicContact CD2-CE2 4.09Å; Y24-F173 HydrophobicContact CD2-CG 4.31Å; Y24-F173 AromaticContact CD2-CZ 3.77Å; Y24-F173 HydrophobicContact CD2-CZ 3.77Å; Y24-F173 HydrophobicContact CE2-CE1 4.03Å; Y24-F173 HydrophobicContact CE2-CZ 4.25Å; Y24-F173 HydrophobicContact CG-CD2 4.19Å; Y24-F173 HydrophobicContact CG-CE1 4.14Å; Y24-F173 AromaticContact CG-CE2 3.7Å; Y24-F173 HydrophobicContact CG-CE2 3.7Å; Y24-F173 AromaticContact CG-CZ 3.67Å; Y24-F173 HydrophobicContact CG-CZ 3.67Å; Y24-Y197 HydrophobicContact CD2-CD1 4.29Å; Y24-Y197 AromaticContact CD2-CE1 3.79Å; Y24-Y197 HydrophobicContact CD2-CE1 3.79Å; Y24-Y197 AromaticContact CE2-CD1 3.69Å; Y24-Y197 HydrophobicContact CE2-CD1 3.69Å; Y24-Y197 AromaticContact CE2-CE1 3.48Å; Y24-Y197 HydrophobicContact CE2-CE1 3.48Å; Y24-Y197 VanDerWaalsContact CE2-CE1 3.48Å; Y24-R254 PolarHBondContact O-NH1 2.97Å; Y24-R254 PolarHBondContact O-NH2 2.86Å
25Y89.3Confident92.1Very high4 Ų438 Ų382%0.01621%0.214CC..Hα-helixtrans-67.7-51.1179.4-78.2-45.3000111.5L17 T21 W22 D23 A27 F80 L83 A84 R254 N281 I309 I310L17-Y25 HydrophobicContact CD1-CD2 4.09Å; L17-Y25 HydrophobicContact CD1-CE2 4.43Å; T21-Y25 HydrophobicContact CG2-CD2 3.81Å; T21-Y25 HydrophobicContact CG2-CE2 3.55Å; T21-Y25 VanDerWaalsContact O-CD2 3.25Å; T21-Y25 WeakPolarHBondContact O-CD2 3.47Å; T21-Y25 PolarHBondContact O-N 2.87Å; T21-Y25 VanDerWaalsContact O-N 3.14Å; W22-Y25 PolarHBondContact O-N 3.5Å; D23-Y25 VanDerWaalsContact C-N 3.33Å; D23-Y25 PolarHBondContact O-N 3.35Å; Y25-A27 PolarHBondContact O-N 3.31Å; Y25-F80 PolarHBondContact OH-O 3.18Å; Y25-L83 HydrophobicContact CE2-CB 4.18Å; Y25-L83 WeakPolarHBondContact OH-CB 3.06Å; Y25-A84 HydrophobicContact CE2-CB 4.18Å; Y25-R254 PolarHBondContact O-NH1 2.84Å; Y25-N281 VanDerWaalsContact O-CG 3.26Å; Y25-N281 PolarHBondContact O-ND2 3.17Å; Y25-N281 PolarHBondContact O-OD1 3.48Å; Y25-I309 HydrophobicContact CE1-CG2 4.1Å; Y25-I310 HydrophobicContact CD1-CD1 4.23Å; Y25-I310 HydrophobicContact CD1-CG1 3.75Å; Y25-I310 HydrophobicContact CD2-CG1 4.49Å; Y25-I310 HydrophobicContact CG-CB 4.38Å; Y25-I310 HydrophobicContact CG-CD1 4.24Å; Y25-I310 HydrophobicContact CG-CG1 3.72Å; Y25-I310 HydrophobicContact CG-CG2 4.24Å
26A88.4Confident92Very high4 Ų437.5 Ų37.53%0.03320%0.2CC..Hα-helixtrans-74.4-4.7-178.500000114.7W22 R35W22-A26 HydrophobicContact CD2-CB 4.39Å; W22-A26 HydrophobicContact CH2-CB 4.3Å; W22-A26 HydrophobicContact CZ2-CB 3.79Å; W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.48Å; W22-A26 PolarHBondContact O-N 3.23Å; A26-R35 PolarHBondContact O-NH1 3.15Å; A26-R35 VanDerWaalsContact O-NH1 3.08Å
27A89.6Confident91.8Very high2 Ų234.6 Ų34.62%0.01719%0.188CC..  trans-60.8144.8-175.700000112.7D23 Y25 R165 R254 N281D23-A27 WeakPolarHBondContact O-CA 3.42Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.87Å; Y25-A27 PolarHBondContact O-N 3.31Å; A27-R165 HydrophobicContact CB-CB 4.01Å; A27-R165 HydrophobicContact CB-CG 4.02Å; A27-R254 WeakPolarHBondContact O-CG 3.28Å; A27-R254 PolarHBondContact O-NH1 2.91Å; A27-N281 PolarHBondContact O-ND2 3.17Å
28G91.5Very high91.3Very high3 Ų334.1 Ų34.13%0.03119%0.185CC..  trans-117.1170.6156.900000109.3G253G28-G253 CarbonylContact C-O 3.48Å; G28-G253 VanDerWaalsContact CA-O 3.3Å; G28-G253 WeakPolarHBondContact CA-O 3.42Å
29A94.6Very high90.6Very high0 Ų032 Ų320%017%0.169CC..SBendtrans-75.6143.5171.800000110.3E31 C32 G253 Q255 D257A29-E31 PolarHBondContact O-N 3.45Å; A29-E31 VanDerWaalsContact O-N 3.15Å; A29-C32 WeakPolarHBondContact O-CA 3.17Å; A29-C32 PolarHBondContact O-N 3.48Å; A29-G253 PolarHBondContact N-O 3.4Å; A29-Q255 WeakPolarHBondContact CB-O 3.21Å; A29-D257 HydrophobicContact CB-CB 4.16Å
30D97.1Very high90.1Very high54 Ų5429.7 Ų29.729%0.28916%0.162SC..THydrogen-bonded Turntrans50-110171.2-64.1-66.9000115.1C32 K164 R166 D257D30-C32 VanDerWaalsContact C-N 3.31Å; D30-K164 PolarHBondContact N-O 2.99Å; D30-R166 VanDerWaalsContact O-CD 3.28Å; D30-R166 WeakPolarHBondContact O-CD 3.34Å; D30-R166 PolarHBondContact O-NE 3.24Å; D30-R166 PolarHBondContact O-NH1 2.78Å; D30-D257 HydrophobicContact CB-CB 4.03Å
31E96.7Very high89.5Confident122 Ų12228.2 Ų28.257%0.5715%0.15SC*.THydrogen-bonded Turntrans-88.6-1.6-179.9-59.5-58.6159.700112.6A29 C33 R166 D257A29-E31 PolarHBondContact O-N 3.45Å; A29-E31 VanDerWaalsContact O-N 3.15Å; E31-C33 PolarHBondContact O-N 2.88Å; E31-R166 IonicContact OE1-CZ 3.1Å; E31-R166 IonicContact OE1-NH1 2.78Å; E31-R166 PolarHBondContact OE1-NH1 3.08Å; E31-R166 IonicContact OE1-NH2 2.7Å; E31-R166 PolarHBondContact OE1-NH2 3.24Å; E31-R166 IonicContact OE2-CZ 3.86Å; E31-R166 IonicContact OE2-NH1 2.68Å; E31-R166 PolarHBondContact OE2-NH1 3.43Å; E31-D257 PolarHBondContact N-OD2 2.8Å; E31-D257 VanDerWaalsContact N-OD2 3.08Å
32C93.7Very high88.7Confident19 Ų1927.9 Ų27.913%0.12815%0.147CC..  trans62.723.6-178-53.20000114.1A29 D30 T34 R35 D36 D257A29-C32 WeakPolarHBondContact O-CA 3.17Å; A29-C32 PolarHBondContact O-N 3.48Å; D30-C32 VanDerWaalsContact C-N 3.31Å; C32-T34 PolarHBondContact O-N 3Å; C32-R35 HydrophobicContact CB-CB 4.2Å; C32-R35 WeakPolarHBondContact O-CB 3.34Å; C32-R35 PolarHBondContact O-N 3.32Å; C32-R35 PolarHBondContact SG-NH1 3.08Å; C32-R35 VanDerWaalsContact SG-NH1 3.42Å; C32-D36 PolarHBondContact O-N 2.87Å; C32-D257 PolarHBondContact N-OD2 3.49Å
33C94.8Very high88.1Confident69 Ų6930.5 Ų30.547%0.46616%0.159SC..Hα-helixtrans-56.8-50.4-178.7-62.10000111.7E31 D36 D37 D257E31-C33 PolarHBondContact O-N 2.88Å; C33-D36 PolarHBondContact O-N 3.48Å; C33-D37 WeakPolarHBondContact O-CB 3.3Å; C33-D37 PolarHBondContact O-N 2.89Å; C33-D257 WeakPolarHBondContact CA-OD1 3.27Å; C33-D257 WeakPolarHBondContact CB-OD1 3.49Å; C33-D257 PolarHBondContact N-OD1 3.49Å; C33-D257 PolarHBondContact N-OD2 3.03Å; C33-D257 VanDerWaalsContact N-OD2 3.12Å
34T89.4Confident87.6Confident1 Ų133.1 Ų33.11%0.00617%0.167CC..Hα-helixtrans-68.6-36.4-179.3-61.80000111.7C32 D36 N38 N250 D257 G258 G259C32-T34 PolarHBondContact O-N 3Å; T34-D36 VanDerWaalsContact C-N 3.33Å; T34-D36 PolarHBondContact O-N 2.97Å; T34-N38 WeakPolarHBondContact O-CB 3.42Å; T34-N38 VanDerWaalsContact O-CG 3.27Å; T34-N38 PolarHBondContact O-N 3.1Å; T34-N38 PolarHBondContact O-ND2 2.79Å; T34-N250 HydrophobicContact CG2-CB 4.2Å; T34-N250 WeakPolarHBondContact CG2-ND2 3.35Å; T34-D257 PolarHBondContact N-OD1 2.94Å; T34-D257 PolarHBondContact OG1-OD1 3.23Å; T34-G258 PolarHBondContact OG1-N 3.28Å; T34-G259 WeakPolarHBondContact CG2-O 3.36Å; T34-G259 PolarHBondContact OG1-N 3.1Å; T34-G259 PolarHBondContact OG1-O 3.15Å
35R87.8Confident87Confident29 Ų2932.8 Ų32.811%0.10917%0.166CC..Hα-helixtrans-59.6-46.9175.1-177.2-160.167.9-159-12110.3A26 C32 N38 N281A26-R35 PolarHBondContact O-NH1 3.15Å; A26-R35 VanDerWaalsContact O-NH1 3.08Å; C32-R35 HydrophobicContact CB-CB 4.2Å; C32-R35 WeakPolarHBondContact O-CB 3.34Å; C32-R35 PolarHBondContact O-N 3.32Å; C32-R35 PolarHBondContact SG-NH1 3.08Å; C32-R35 VanDerWaalsContact SG-NH1 3.42Å; R35-N38 WeakPolarHBondContact O-CB 3.38Å; R35-N281 HydrophobicContact CG-CB 4.18Å
36D88.6Confident86.7Confident67 Ų6739.7 Ų39.736%0.35819%0.192SC..Hα-helixtrans-75.2-37.8-177-64.2-8.4000111C32 C33 T34 N38 L39 L40C32-D36 PolarHBondContact O-N 2.87Å; C33-D36 PolarHBondContact O-N 3.48Å; T34-D36 VanDerWaalsContact C-N 3.33Å; T34-D36 PolarHBondContact O-N 2.97Å; D36-N38 VanDerWaalsContact C-N 3.33Å; D36-N38 PolarHBondContact O-N 2.98Å; D36-L39 PolarHBondContact O-N 2.92Å; D36-L40 PolarHBondContact O-N 3.08Å
37D87.8Confident86.5Confident43 Ų4341.5 Ų41.523%0.2320%0.202CC..Hα-helixtrans-68-29.6176.9-165.152.5000113.1C33 L39 L40 A41 R44C33-D37 WeakPolarHBondContact O-CB 3.3Å; C33-D37 PolarHBondContact O-N 2.89Å; D37-L39 PolarHBondContact O-N 3.12Å; D37-L39 VanDerWaalsContact O-N 3.11Å; D37-L40 PolarHBondContact O-N 3.45Å; D37-A41 WeakPolarHBondContact O-CB 3.19Å; D37-A41 PolarHBondContact O-N 3.5Å; D37-R44 VanDerWaalsContact CG-NH2 3.33Å; D37-R44 IonicContact OD1-CZ 3.33Å; D37-R44 VanDerWaalsContact OD1-CZ 3.29Å; D37-R44 IonicContact OD1-NH1 2.68Å; D37-R44 PolarHBondContact OD1-NH1 3.26Å; D37-R44 IonicContact OD1-NH2 2.92Å; D37-R44 PolarHBondContact OD1-NH2 3.19Å; D37-R44 IonicContact OD2-NH2 2.73Å; D37-R44 PolarHBondContact OD2-NH2 3.37Å
38N80.4Confident86.4Confident7 Ų748.2 Ų48.24%0.03723%0.226CC..Hα-helixtrans-51.1-36.4172.3-86.4-29.3000112.1T34 R35 D36 Y42 N250 A261 S262T34-N38 WeakPolarHBondContact O-CB 3.42Å; T34-N38 VanDerWaalsContact O-CG 3.27Å; T34-N38 PolarHBondContact O-N 3.1Å; T34-N38 PolarHBondContact O-ND2 2.79Å; R35-N38 WeakPolarHBondContact O-CB 3.38Å; D36-N38 VanDerWaalsContact C-N 3.33Å; D36-N38 PolarHBondContact O-N 2.98Å; N38-Y42 VanDerWaalsContact O-CD2 3.24Å; N38-Y42 WeakPolarHBondContact O-CD2 3.4Å; N38-N250 PolarHBondContact ND2-ND2 2.92Å; N38-N250 PolarHBondContact ND2-OD1 2.86Å; N38-N250 PolarHBondContact OD1-ND2 3.42Å; N38-A261 VanDerWaalsContact OD1-CA 3.24Å; N38-A261 WeakPolarHBondContact OD1-CA 3.37Å; N38-S262 PolarHBondContact OD1-N 3.1Å
39L77.5Confident86.4Confident24 Ų2451.5 Ų51.513%0.12625%0.247CC..Hα-helixtrans-84.4-46.4179.2-57.7175.9000112D36 D37 A41 Y42 K43 R282 I284D36-L39 PolarHBondContact O-N 2.92Å; D37-L39 PolarHBondContact O-N 3.12Å; D37-L39 VanDerWaalsContact O-N 3.11Å; L39-A41 PolarHBondContact O-N 3.22Å; L39-Y42 PolarHBondContact O-N 3.49Å; L39-K43 PolarHBondContact O-N 3.38Å; L39-R282 HydrophobicContact CD1-CB 3.57Å; L39-R282 WeakPolarHBondContact CD1-O 3.41Å; L39-R282 WeakPolarHBondContact CD2-O 3.31Å; L39-I284 HydrophobicContact CD2-CG1 4.38Å
40L83.9Confident86.3Confident85 Ų8558.4 Ų58.445%0.44527%0.273SS..Hα-helixtrans-61.3-31.2179.6-64.5175.9000111.9D36 D37 Y42 K43 R44D36-L40 PolarHBondContact O-N 3.08Å; D37-L40 PolarHBondContact O-N 3.45Å; L40-Y42 VanDerWaalsContact C-N 3.35Å; L40-Y42 PolarHBondContact O-N 2.59Å; L40-K43 HydrophobicContact CD2-CD 4.35Å; L40-K43 WeakPolarHBondContact O-CA 3.48Å; L40-K43 WeakPolarHBondContact O-CB 3.31Å; L40-K43 PolarHBondContact O-N 3.34Å; L40-K43 VanDerWaalsContact O-N 3.09Å; L40-R44 PolarHBondContact O-N 3.01Å
41A80.3Confident86.3Confident0 Ų062.4 Ų62.40%029%0.293CS..Hα-helixtrans-60.8-39.8177.500000113.4D37 L39 K43 R44 A261 V263D37-A41 WeakPolarHBondContact O-CB 3.19Å; D37-A41 PolarHBondContact O-N 3.5Å; L39-A41 PolarHBondContact O-N 3.22Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.31Å; A41-R44 VanDerWaalsContact CA-CZ 3.5Å; A41-R44 VanDerWaalsContact CB-NH2 3.28Å; A41-R44 PolarHBondContact O-N 2.76Å; A41-A261 HydrophobicContact CB-CB 3.5Å; A41-V263 HydrophobicContact CB-CG1 3.32Å
42Y75.3Confident86.2Confident8 Ų864.9 Ų64.93%0.03131%0.309CS..Hα-helixtrans-65.8-37.1173.1-76.4-71.7000112.4N38 L39 L40 R44 I45 V263 F278 T291 L295N38-Y42 VanDerWaalsContact O-CD2 3.24Å; N38-Y42 WeakPolarHBondContact O-CD2 3.4Å; L39-Y42 PolarHBondContact O-N 3.49Å; L40-Y42 VanDerWaalsContact C-N 3.35Å; L40-Y42 PolarHBondContact O-N 2.59Å; Y42-R44 PolarHBondContact O-N 2.66Å; Y42-R44 VanDerWaalsContact O-N 3.09Å; Y42-I45 HydrophobicContact CD1-CD1 4.06Å; Y42-I45 HydrophobicContact CE1-CD1 4.4Å; Y42-I45 WeakPolarHBondContact O-CB 3.47Å; Y42-I45 PolarHBondContact O-N 3.35Å; Y42-V263 HydrophobicContact CD1-CG2 4.23Å; Y42-V263 HydrophobicContact CE1-CB 3.98Å; Y42-V263 HydrophobicContact CE1-CG2 3.51Å; Y42-V263 HydrophobicContact CE2-CB 4.09Å; Y42-V263 HydrophobicContact CE2-CG1 4.37Å; Y42-F278 HydrophobicContact CE2-CD1 4.31Å; Y42-F278 HydrophobicContact CE2-CE1 4.32Å; Y42-F278 AromaticContact CZ-CE1 3.86Å; Y42-F278 WeakPolarHBondContact OH-CE1 3.48Å; Y42-T291 HydrophobicContact CD1-CG2 3.44Å; Y42-T291 VanDerWaalsContact CD1-CG2 3.44Å; Y42-T291 HydrophobicContact CD2-CG2 4.38Å; Y42-T291 HydrophobicContact CE1-CG2 3.29Å; Y42-T291 HydrophobicContact CE2-CG2 4.25Å; Y42-T291 HydrophobicContact CG-CG2 4Å; Y42-L295 HydrophobicContact CE1-CD1 4.27Å; Y42-L295 HydrophobicContact CE1-CD2 4.43Å; Y42-L295 HydrophobicContact CE1-CG 4.26Å; Y42-L295 WeakPolarHBondContact OH-CD2 3.32Å
43K79.5Confident86.3Confident68 Ų6868.5 Ų68.530%0.29632%0.321SS..Hα-helixtrans-63.5-14.3175.5-51.1-160.9172.1178.50113.9L39 L40 A41 R46 Q285 C286L39-K43 PolarHBondContact O-N 3.38Å; L40-K43 HydrophobicContact CD2-CD 4.35Å; L40-K43 WeakPolarHBondContact O-CA 3.48Å; L40-K43 WeakPolarHBondContact O-CB 3.31Å; L40-K43 PolarHBondContact O-N 3.34Å; L40-K43 VanDerWaalsContact O-N 3.09Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.31Å; K43-R46 PolarHBondContact O-NH1 3.37Å; K43-Q285 VanDerWaalsContact CE-CB 3.49Å; K43-C286 WeakPolarHBondContact CA-SG 3.24Å; K43-C286 VanDerWaalsContact CG-SG 3.56Å
44R82.4Confident86.4Confident73 Ų7370.3 Ų70.328%0.27533%0.326SS..THydrogen-bonded Turntrans-92.9-3.1175.9-65-179.4-67.1-111.35.6113.4D37 L40 A41 Y42 H264 S355D37-R44 VanDerWaalsContact CG-NH2 3.33Å; D37-R44 IonicContact OD1-CZ 3.33Å; D37-R44 VanDerWaalsContact OD1-CZ 3.29Å; D37-R44 IonicContact OD1-NH1 2.68Å; D37-R44 PolarHBondContact OD1-NH1 3.26Å; D37-R44 IonicContact OD1-NH2 2.92Å; D37-R44 PolarHBondContact OD1-NH2 3.19Å; D37-R44 IonicContact OD2-NH2 2.73Å; D37-R44 PolarHBondContact OD2-NH2 3.37Å; L40-R44 PolarHBondContact O-N 3.01Å; A41-R44 VanDerWaalsContact CA-CZ 3.5Å; A41-R44 VanDerWaalsContact CB-NH2 3.28Å; A41-R44 PolarHBondContact O-N 2.76Å; Y42-R44 PolarHBondContact O-N 2.66Å; Y42-R44 VanDerWaalsContact O-N 3.09Å; R44-H264 PolarHBondContact NH2-CE1 3.06Å; R44-S355 PolarHBondContact O-N 3.5Å
45I78.6Confident86.8Confident6 Ų672.3 Ų72.33%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-93142.3176.4-59.8175000109.2Y42 V263 V352 F354Y42-I45 HydrophobicContact CD1-CD1 4.06Å; Y42-I45 HydrophobicContact CE1-CD1 4.4Å; Y42-I45 WeakPolarHBondContact O-CB 3.47Å; Y42-I45 PolarHBondContact O-N 3.35Å; I45-V263 HydrophobicContact CD1-CG2 3.64Å; I45-V352 HydrophobicContact CG2-CG1 3.29Å; I45-F354 HydrophobicContact CD1-CD1 4.14Å; I45-F354 HydrophobicContact CD1-CE1 3.61Å; I45-F354 HydrophobicContact CD1-CZ 4.49Å; I45-F354 HydrophobicContact CG1-CD1 3.85Å; I45-F354 HydrophobicContact CG1-CE1 3.85Å
46R83.2Confident87.1Confident149 Ų14975.7 Ų75.756%0.56237%0.366SS*.EExtended strand (participates in β ladder)trans-123.6139.7176.1-64-69.1177.4-84.71.1110.2K43 V352 Q353K43-R46 PolarHBondContact O-NH1 3.37Å; R46-V352 WeakPolarHBondContact O-CA 3.15Å; R46-Q353 HydrophobicContact CB-CB 4.44Å; R46-Q353 PolarHBondContact N-O 2.68Å; R46-Q353 PolarHBondContact O-N 2.99Å
47L83.1Confident87.4Confident43 Ų4377.9 Ų77.923%0.22538%0.381CS..EExtended strand (participates in β ladder)trans-84154169.1-67.2-170.4000112V290 I293 L351 V352L47-V290 HydrophobicContact CD1-CB 4.01Å; L47-V290 HydrophobicContact CD1-CG1 4.32Å; L47-V290 HydrophobicContact CD1-CG2 3.51Å; L47-V290 HydrophobicContact CD2-CB 4.34Å; L47-V290 HydrophobicContact CD2-CG1 3.88Å; L47-V290 HydrophobicContact CG-CB 3.9Å; L47-V290 HydrophobicContact CG-CG1 3.63Å; L47-V290 HydrophobicContact CG-CG2 3.68Å; L47-I293 HydrophobicContact CD1-CD1 4.16Å; L47-I293 HydrophobicContact CD2-CB 4.26Å; L47-I293 HydrophobicContact CD2-CG2 3.77Å; L47-L351 CarbonylContact C-O 3.35Å; L47-L351 WeakPolarHBondContact CA-O 3.28Å; L47-V352 HydrophobicContact CD2-CG2 4.16Å
48R88.4Confident87.6Confident142 Ų14277.4 Ų77.454%0.53638%0.381SS..  trans-122.379.2173.5-63.1-178.966.3118.3-2.5108.2L351 Q353R48-L351 PolarHBondContact N-O 3.38Å; R48-L351 WeakPolarHBondContact O-CD2 3.15Å; R48-Q353 HydrophobicContact CG-CB 4.3Å
49P91.4Very high88.2Confident73 Ų7379.6 Ų79.647%0.47439%0.393SS..  trans-63.8154.9-17427.5-35.6000112.3L338P49-L338 WeakPolarHBondContact CB-O 3.43Å
50R92.8Very high88.8Confident145 Ų14579.2 Ų79.255%0.54739%0.392SS..  trans-110.7106.9174.3-58.9-58.3-58.5-75.90.7109.5R53 S339 G340 L351R50-R53 HydrophobicContact CB-CG 4.08Å; R50-R53 WeakPolarHBondContact O-CG 3.07Å; R50-S339 PolarHBondContact N-O 2.9Å; R50-G340 WeakPolarHBondContact O-CA 3.35Å; R50-L351 HydrophobicContact CG-CD2 4.14Å
51I95.9Very high89.3Confident137 Ų13781 Ų8170%0.70339%0.392SS*.  trans-76.1163.1-178.458.885.4000112.3R53I51-R53 PolarHBondContact O-N 3.09Å
52L95.6Very high89.5Confident174 Ų17482.1 Ų82.191%0.91140%0.399SS*.SBendtrans54.434.5-179.5-58.5173.7000113.8
53R96.5Very high89.9Confident96 Ų9685.9 Ų85.936%0.36242%0.423SS..  trans-93.9132.1168.2-74.3-78.1-59.7161.74.3108.2R50 I51 V55 G340 E346R50-R53 HydrophobicContact CB-CG 4.08Å; R50-R53 WeakPolarHBondContact O-CG 3.07Å; I51-R53 PolarHBondContact O-N 3.09Å; R53-V55 HydrophobicContact CB-CG1 4.3Å; R53-V55 PolarHBondContact O-N 3.38Å; R53-G340 PolarHBondContact NE-O 3Å; R53-E346 IonicContact CZ-OE2 3.38Å; R53-E346 VanDerWaalsContact NH2-CD 3.26Å; R53-E346 IonicContact NH2-OE1 2.65Å; R53-E346 PolarHBondContact NH2-OE1 2.95Å; R53-E346 VanDerWaalsContact NH2-OE1 3.1Å; R53-E346 IonicContact NH2-OE2 3.33Å; R53-E346 PolarHBondContact NH2-OE2 3.22Å
54D97Very high89.8Confident107 Ų10782.9 Ų82.957%0.57241%0.41SS*.  trans-66.6114.9168.9178.510.6000109.3S56 R342D54-S56 VanDerWaalsContact OD1-CB 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 2.9Å; D54-S56 PolarHBondContact OD1-N 3.14Å; D54-S56 PolarHBondContact OD1-OG 3.13Å; D54-R342 WeakPolarHBondContact O-CD 3.01Å; D54-R342 WeakPolarHBondContact O-CG 3.47Å
55V96.4Very high89.6Confident42 Ų4282.1 Ų82.126%0.25541%0.41SS..  trans-125.921.9178.4-65.70000111R53 V57 A337 R342R53-V55 HydrophobicContact CB-CG1 4.3Å; R53-V55 PolarHBondContact O-N 3.38Å; V55-V57 PolarHBondContact O-N 2.95Å; V55-A337 HydrophobicContact CB-CB 4.1Å; V55-A337 HydrophobicContact CG2-CB 3.96Å; V55-R342 HydrophobicContact CG1-CG 4.3Å
56S95.8Very high89.6Confident100 Ų10085.4 Ų85.470%0.69945%0.445SS*.SBendtrans-57.3-27.5177.956.60000113D54D54-S56 VanDerWaalsContact OD1-CB 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 2.9Å; D54-S56 PolarHBondContact OD1-N 3.14Å; D54-S56 PolarHBondContact OD1-OG 3.13Å
57V93.4Very high89.8Confident114 Ų11483.3 Ų83.369%0.69144%0.44SS*.SBendtrans-122.2126.3171-1770000108.6V55V55-V57 PolarHBondContact O-N 2.95Å
58S91.4Very high90.3Very high32 Ų3285.7 Ų85.722%0.22445%0.451CS..  trans-123.4127.7178.2-66.70000110.5R342S58-R342 CarbonylContact C-O 3.57Å; S58-R342 VanDerWaalsContact CA-O 3.29Å; S58-R342 WeakPolarHBondContact CA-O 3.41Å
59D94.6Very high90.4Very high54 Ų5479 Ų7929%0.28943%0.425SS..BIsolated β-bridgetrans-111.9112.3177.7-170.6-5.9000110.8R61 R342 N343 V344D59-R61 WeakPolarHBondContact OD1-CB 3.23Å; D59-R61 WeakPolarHBondContact OD1-CG 3.37Å; D59-R61 IonicContact OD1-CZ 3.78Å; D59-R61 PolarHBondContact OD1-N 3.48Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.13Å; D59-R61 IonicContact OD1-NH2 3.75Å; D59-R61 IonicContact OD2-CZ 3.46Å; D59-R61 IonicContact OD2-NE 3.64Å; D59-R61 PolarHBondContact OD2-NE 2.86Å; D59-R61 IonicContact OD2-NH2 2.75Å; D59-R61 PolarHBondContact OD2-NH2 2.96Å; D59-R342 PolarHBondContact N-O 3.35Å; D59-N343 HydrophobicContact CB-CB 4.12Å; D59-N343 VanDerWaalsContact O-CA 3.27Å; D59-N343 WeakPolarHBondContact O-CA 3.14Å; D59-V344 WeakPolarHBondContact O-CG2 3.49Å; D59-V344 PolarHBondContact O-N 3.41Å
60T90.3Very high90.5Very high16 Ų1676.7 Ų76.710%0.09841%0.411CS..  trans-88.9-7.8-178.853.80000113.3S70 F71 P72 F332 R333 M336 V344T60-S70 CarbonylContact C-O 3.59Å; T60-S70 PolarHBondContact OG1-O 3Å; T60-F71 VanDerWaalsContact O-CA 3.28Å; T60-F71 WeakPolarHBondContact O-CA 3.39Å; T60-P72 WeakPolarHBondContact O-CD 3.15Å; T60-F332 HydrophobicContact CG2-CD1 3.82Å; T60-F332 HydrophobicContact CG2-CE1 4.02Å; T60-R333 HydrophobicContact CG2-CB 3.9Å; T60-R333 HydrophobicContact CG2-CG 4.18Å; T60-M336 HydrophobicContact CG2-SD 4.33Å; T60-V344 WeakPolarHBondContact O-CG2 3.22Å
61R93.5Very high90.3Very high122 Ų12269.9 Ų69.946%0.4639%0.385SS..  trans-67.3149.5-173.2-63.6172.7-66.3166.10.6112.7D59 E68 I69 S70 V344D59-R61 WeakPolarHBondContact OD1-CB 3.23Å; D59-R61 WeakPolarHBondContact OD1-CG 3.37Å; D59-R61 IonicContact OD1-CZ 3.78Å; D59-R61 PolarHBondContact OD1-N 3.48Å; D59-R61 IonicContact OD1-NE 2.77Å; D59-R61 PolarHBondContact OD1-NE 3.13Å; D59-R61 IonicContact OD1-NH2 3.75Å; D59-R61 IonicContact OD2-CZ 3.46Å; D59-R61 IonicContact OD2-NE 3.64Å; D59-R61 PolarHBondContact OD2-NE 2.86Å; D59-R61 IonicContact OD2-NH2 2.75Å; D59-R61 PolarHBondContact OD2-NH2 2.96Å; R61-E68 HydrophobicContact CB-CG 4.48Å; R61-I69 WeakPolarHBondContact CA-O 3.29Å; R61-S70 WeakPolarHBondContact CA-O 3.25Å; R61-S70 PolarHBondContact N-O 3.15Å; R61-V344 WeakPolarHBondContact O-CG2 3.5Å
62T84.9Confident89.6Confident24 Ų2463.5 Ų63.515%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-151.3175.5175.9-165.60000110.4E68 I69 P72T62-E68 CarbonylContact O-C 3.45Å; T62-E68 WeakPolarHBondContact O-CA 3.32Å; T62-I69 HydrophobicContact CG2-CD1 3.9Å; T62-I69 HydrophobicContact CG2-CG1 3.65Å; T62-I69 PolarHBondContact N-O 3.29Å; T62-I69 VanDerWaalsContact N-O 3.14Å; T62-I69 PolarHBondContact O-N 3.3Å; T62-P72 HydrophobicContact CG2-CB 3.79Å
63T82.8Confident89Confident87 Ų8755.3 Ų55.353%0.53431%0.31SS..EExtended strand (participates in β ladder)trans-112.6144.4173.657.20000112.1K67T63-K67 CarbonylContact C-O 3.42Å; T63-K67 VanDerWaalsContact CA-O 3.22Å; T63-K67 WeakPolarHBondContact CA-O 3.3Å
64V77.8Confident88.4Confident4 Ų450.8 Ų50.82%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-130.8121.1171.6179.80000108.2G66 K67 I69 Y124 W126 E275 C302V64-G66 PolarHBondContact O-N 2.89Å; V64-K67 PolarHBondContact N-O 3.27Å; V64-K67 PolarHBondContact O-N 2.64Å; V64-I69 HydrophobicContact CB-CD1 4.49Å; V64-I69 HydrophobicContact CG2-CD1 3.45Å; V64-I69 VanDerWaalsContact CG2-CD1 3.45Å; V64-I69 HydrophobicContact CG2-CG1 4.14Å; V64-Y124 HydrophobicContact CB-CE1 4.34Å; V64-Y124 PolarHBondContact O-OH 3.16Å; V64-W126 HydrophobicContact CG1-CH2 3.66Å; V64-W126 HydrophobicContact CG1-CZ2 3.57Å; V64-E275 WeakPolarHBondContact CG1-OE1 3.22Å; V64-C302 HydrophobicContact CG2-CB 3.3Å
65Q78.3Confident87.9Confident57 Ų5745.7 Ų45.727%0.26627%0.266SS..THydrogen-bonded Turntrans48.542-173.7-71.2-78.371.900113.3K67 W126 I225 I273Q65-K67 VanDerWaalsContact C-N 3.26Å; Q65-K67 PolarHBondContact O-N 3.1Å; Q65-W126 HydrophobicContact CB-CH2 4.38Å; Q65-W126 HydrophobicContact CB-CZ2 3.81Å; Q65-W126 HydrophobicContact CG-CH2 3.54Å; Q65-W126 HydrophobicContact CG-CZ2 3.44Å; Q65-W126 VanDerWaalsContact CG-CZ2 3.44Å; Q65-I225 HydrophobicContact CG-CD1 4.37Å; Q65-I273 VanDerWaalsContact CD-CD1 3.48Å; Q65-I273 HydrophobicContact CG-CD1 3.81Å
66G79.6Confident87.4Confident75 Ų7543.7 Ų43.777%0.77325%0.253SS*.THydrogen-bonded Turntrans78.8-4.6179.100000115.8V64V64-G66 PolarHBondContact O-N 2.89Å
67K87.5Confident87.2Confident105 Ų10539.4 Ų39.446%0.45722%0.224SC..EExtended strand (participates in β ladder)trans-97.7130.2175.2-176.564.3175.4177.60110.9T63 V64 Q65 Y124T63-K67 CarbonylContact C-O 3.42Å; T63-K67 VanDerWaalsContact CA-O 3.22Å; T63-K67 WeakPolarHBondContact CA-O 3.3Å; V64-K67 PolarHBondContact N-O 3.27Å; V64-K67 PolarHBondContact O-N 2.64Å; Q65-K67 VanDerWaalsContact C-N 3.26Å; Q65-K67 PolarHBondContact O-N 3.1Å; K67-Y124 HydrophobicContact CB-CD1 4.38Å; K67-Y124 HydrophobicContact CB-CD2 4.29Å; K67-Y124 HydrophobicContact CB-CE1 3.84Å; K67-Y124 HydrophobicContact CB-CE2 3.75Å; K67-Y124 HydrophobicContact CG-CD1 4.02Å; K67-Y124 HydrophobicContact CG-CD2 3.86Å; K67-Y124 HydrophobicContact CG-CE1 4Å; K67-Y124 HydrophobicContact CG-CE2 3.85Å; K67-Y124 HydrophobicContact CG-CG 3.96Å
68E93.1Very high87Confident94 Ų9434.8 Ų34.844%0.43920%0.195SC..EExtended strand (participates in β ladder)trans-68.5135.2172.1-173.4179.189.800111.1R61 T62 N100R61-E68 HydrophobicContact CB-CG 4.48Å; T62-E68 CarbonylContact O-C 3.45Å; T62-E68 WeakPolarHBondContact O-CA 3.32Å; E68-N100 PolarHBondContact O-ND2 3.36Å
69I89.4Confident87.1Confident0 Ų033.9 Ų33.90%019%0.19CC..EExtended strand (participates in β ladder)trans-125154.4170.760.7172.2000109.9R61 T62 V64 F71 N100 Y124 C302R61-I69 WeakPolarHBondContact CA-O 3.29Å; T62-I69 HydrophobicContact CG2-CD1 3.9Å; T62-I69 HydrophobicContact CG2-CG1 3.65Å; T62-I69 PolarHBondContact N-O 3.29Å; T62-I69 VanDerWaalsContact N-O 3.14Å; T62-I69 PolarHBondContact O-N 3.3Å; V64-I69 HydrophobicContact CB-CD1 4.49Å; V64-I69 HydrophobicContact CG2-CD1 3.45Å; V64-I69 VanDerWaalsContact CG2-CD1 3.45Å; V64-I69 HydrophobicContact CG2-CG1 4.14Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 WeakPolarHBondContact CD1-O 3.45Å; I69-F71 WeakPolarHBondContact CG1-O 3.26Å; I69-F71 PolarHBondContact O-N 2.85Å; I69-N100 VanDerWaalsContact CA-O 3.31Å; I69-N100 WeakPolarHBondContact CA-O 3.27Å; I69-N100 WeakPolarHBondContact CB-O 3.07Å; I69-Y124 HydrophobicContact CG2-CD1 3.87Å; I69-Y124 HydrophobicContact CG2-CE1 4.22Å; I69-C302 HydrophobicContact CD1-CB 4.17Å
70S94.1Very high87Confident25 Ų2531.3 Ų31.318%0.17518%0.176CC..SBendtrans-65.1-32.4-172.755.20000114.4T60 R61 L99 N100T60-S70 CarbonylContact C-O 3.59Å; T60-S70 PolarHBondContact OG1-O 3Å; R61-S70 WeakPolarHBondContact CA-O 3.25Å; R61-S70 PolarHBondContact N-O 3.15Å; S70-L99 VanDerWaalsContact CB-O 3.22Å; S70-L99 WeakPolarHBondContact CB-O 3.5Å; S70-L99 PolarHBondContact OG-O 3.34Å; S70-N100 PolarHBondContact N-O 3.19Å; S70-N100 PolarHBondContact OG-O 2.83Å
71F88.7Confident87.2Confident3 Ų330.6 Ų30.61%0.01317%0.172CC..SBendtrans-157.8161.4174.174.8-66.7000110.7T60 I69 V73 L325 L328 N329 F332T60-F71 VanDerWaalsContact O-CA 3.28Å; T60-F71 WeakPolarHBondContact O-CA 3.39Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 WeakPolarHBondContact CD1-O 3.45Å; I69-F71 WeakPolarHBondContact CG1-O 3.26Å; I69-F71 PolarHBondContact O-N 2.85Å; F71-V73 HydrophobicContact CD2-CB 3.79Å; F71-V73 HydrophobicContact CD2-CG2 3.69Å; F71-V73 HydrophobicContact CE2-CB 3.35Å; F71-V73 HydrophobicContact CE2-CG1 4.17Å; F71-V73 HydrophobicContact CE2-CG2 3.49Å; F71-V73 VanDerWaalsContact CE2-CG2 3.49Å; F71-V73 HydrophobicContact CZ-CB 3.79Å; F71-V73 HydrophobicContact CZ-CG1 4.36Å; F71-V73 HydrophobicContact CZ-CG2 4.42Å; F71-V73 PolarHBondContact O-N 3.29Å; F71-L325 HydrophobicContact CZ-CB 4.31Å; F71-L325 HydrophobicContact CZ-CD2 3.98Å; F71-L325 VanDerWaalsContact CZ-O 3.26Å; F71-L325 WeakPolarHBondContact CZ-O 3.47Å; F71-L328 HydrophobicContact CE2-CB 3.97Å; F71-L328 HydrophobicContact CZ-CB 4.4Å; F71-N329 HydrophobicContact CD1-CB 4.13Å; F71-N329 HydrophobicContact CD2-CB 3.88Å; F71-N329 HydrophobicContact CE1-CB 4.15Å; F71-N329 HydrophobicContact CE2-CB 3.84Å; F71-N329 HydrophobicContact CG-CB 4.02Å; F71-N329 HydrophobicContact CZ-CB 4.01Å; F71-F332 HydrophobicContact CB-CD1 4.44Å
72P82Confident87.2Confident3 Ų325.7 Ų25.72%0.01916%0.156CC..SBendtrans-77.644-169.935-38.9000113.3T60 T62 I292 C302 C303 F332 V344T60-P72 WeakPolarHBondContact O-CD 3.15Å; T62-P72 HydrophobicContact CG2-CB 3.79Å; P72-I292 HydrophobicContact CG-CG2 3.73Å; P72-C302 VanDerWaalsContact C-SG 3.5Å; P72-C303 WeakPolarHBondContact O-CB 3.45Å; P72-C303 PolarHBondContact O-N 2.87Å; P72-F332 HydrophobicContact CG-CD1 4.24Å; P72-F332 HydrophobicContact CG-CE1 3.56Å; P72-F332 HydrophobicContact CG-CE2 4.31Å; P72-F332 HydrophobicContact CG-CZ 3.59Å; P72-V344 HydrophobicContact CG-CG1 4.21Å
73V82.7Confident87.6Confident2 Ų225.4 Ų25.41%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-137.6120.8176.8-178.70000110.6F71 T101 I292 C303 C305 L325 L328F71-V73 HydrophobicContact CD2-CB 3.79Å; F71-V73 HydrophobicContact CD2-CG2 3.69Å; F71-V73 HydrophobicContact CE2-CB 3.35Å; F71-V73 HydrophobicContact CE2-CG1 4.17Å; F71-V73 HydrophobicContact CE2-CG2 3.49Å; F71-V73 VanDerWaalsContact CE2-CG2 3.49Å; F71-V73 HydrophobicContact CZ-CB 3.79Å; F71-V73 HydrophobicContact CZ-CG1 4.36Å; F71-V73 HydrophobicContact CZ-CG2 4.42Å; F71-V73 PolarHBondContact O-N 3.29Å; V73-T101 PolarHBondContact O-OG1 3.03Å; V73-I292 HydrophobicContact CG2-CD1 3.92Å; V73-C303 CarbonylContact C-O 3.59Å; V73-C303 VanDerWaalsContact CA-O 3.23Å; V73-C303 WeakPolarHBondContact CA-O 3.31Å; V73-C303 HydrophobicContact CG2-CB 4.32Å; V73-C305 HydrophobicContact CG1-CB 4.42Å; V73-C305 VanDerWaalsContact CG1-SG 3.5Å; V73-L325 HydrophobicContact CG1-CD2 4.5Å; V73-L328 HydrophobicContact CG1-CD1 4.23Å
74G83.6Confident87.9Confident0 Ų021.4 Ų21.40%013%0.129CC..EExtended strand (participates in β ladder)trans-115.3-177.2170.100000112.5T101 C102 C302 C303 F304 C305G74-T101 WeakPolarHBondContact CA-OG1 3.28Å; G74-C102 CarbonylContact C-O 3.57Å; G74-C102 WeakPolarHBondContact CA-O 3.29Å; G74-C302 PolarHBondContact N-SG 3.21Å; G74-C303 PolarHBondContact N-O 3.48Å; G74-F304 WeakPolarHBondContact O-CA 2.89Å; G74-C305 PolarHBondContact O-N 2.9Å
75I86.8Confident88.6Confident0 Ų024.7 Ų24.70%014%0.141CC..EExtended strand (participates in β ladder)trans-100.6124.8-180-55-53.1000110.4T92 T96 C102 Y103 I104 V308 I309 L325I75-T92 HydrophobicContact CG1-CG2 4.41Å; I75-T92 HydrophobicContact CG2-CG2 4.05Å; I75-T96 HydrophobicContact CB-CG2 4.4Å; I75-T96 HydrophobicContact CD1-CG2 4.41Å; I75-T96 HydrophobicContact CG1-CG2 3.39Å; I75-C102 PolarHBondContact N-O 3.05Å; I75-Y103 HydrophobicContact CB-CD2 3.77Å; I75-Y103 HydrophobicContact CB-CE2 4.49Å; I75-Y103 HydrophobicContact CG2-CD2 3.73Å; I75-Y103 HydrophobicContact CG2-CE2 3.94Å; I75-I104 WeakPolarHBondContact O-CB 3.34Å; I75-I104 PolarHBondContact O-N 3.38Å; I75-V308 HydrophobicContact CD1-CB 3.57Å; I75-V308 HydrophobicContact CD1-CG1 3.7Å; I75-V308 HydrophobicContact CD1-CG2 3.26Å; I75-V308 HydrophobicContact CG1-CG1 4.49Å; I75-I309 HydrophobicContact CG2-CD1 4.13Å; I75-L325 HydrophobicContact CD1-CD1 4.26Å; I75-L325 HydrophobicContact CD1-CD2 3.83Å; I75-L325 HydrophobicContact CD1-CG 4.33Å
76A85.8Confident89.3Confident0 Ų028.9 Ų28.90%016%0.16CC..PPolyproline II helixtrans-73.3157.4176.800000112T78 I104 E277 F304 C305 Q306A76-T78 PolarHBondContact O-N 3.32Å; A76-T78 PolarHBondContact O-OG1 2.82Å; A76-I104 CarbonylContact C-O 3.23Å; A76-E277 HydrophobicContact CB-CG 3.7Å; A76-F304 HydrophobicContact CB-CB 3.87Å; A76-C305 PolarHBondContact N-O 3.08Å; A76-Q306 HydrophobicContact CB-CB 4.23Å; A76-Q306 HydrophobicContact CB-CG 3.41Å; A76-Q306 VanDerWaalsContact CB-CG 3.41Å
77P91.1Very high89.9Confident11 Ų1128 Ų287%0.07114%0.136CC..PPolyproline II helixtrans-68.6118.8174.430-32.6000110.1I104 Q128 K227 E277P77-I104 VanDerWaalsContact CA-O 3.23Å; P77-I104 WeakPolarHBondContact CA-O 3.44Å; P77-I104 HydrophobicContact CB-CB 4.37Å; P77-I104 HydrophobicContact CB-CG2 3.87Å; P77-I104 HydrophobicContact CG-CB 4.4Å; P77-I104 HydrophobicContact CG-CG2 3.89Å; P77-Q128 HydrophobicContact CB-CB 3.39Å; P77-Q128 HydrophobicContact CB-CG 3.77Å; P77-Q128 HydrophobicContact CG-CB 3.67Å; P77-Q128 HydrophobicContact CG-CG 3.7Å; P77-K227 HydrophobicContact CG-CD 4.24Å; P77-E277 WeakPolarHBondContact CD-OE1 3.1Å
78T90.1Very high90.2Very high16 Ų1623 Ų2310%0.09811%0.114CC..  trans-131140.7175.4-13.90000107.3A76 H81 S106 Q306 I309A76-T78 PolarHBondContact O-N 3.32Å; A76-T78 PolarHBondContact O-OG1 2.82Å; T78-H81 PolarHBondContact O-CD2 3.15Å; T78-H81 VanDerWaalsContact O-CD2 3.27Å; T78-H81 PolarHBondContact O-NE2 3.45Å; T78-S106 VanDerWaalsContact O-CB 3.3Å; T78-S106 WeakPolarHBondContact O-CB 3.16Å; T78-Q306 HydrophobicContact CG2-CB 4.26Å; T78-Q306 HydrophobicContact CG2-CG 4.4Å; T78-I309 WeakPolarHBondContact OG1-CD1 3.47Å
79A92.1Very high90.4Very high13 Ų1318.5 Ų18.511%0.1079%0.093CC..SBendtrans-87.1155.9-174.300000111.6Y108A79-Y108 WeakPolarHBondContact CA-O 3.49Å; A79-Y108 WeakPolarHBondContact CB-O 3.43Å
80F93.6Very high90.7Very high1 Ų119.4 Ų19.40%0.00410%0.099CC..  trans5850.5166.6-40-47.4000115.8Y24 Y25 C82 L83 Y108 T110 L175 V181 Y197Y24-F80 AromaticContact CE1-CD2 3.88Å; Y24-F80 HydrophobicContact CE1-CD2 3.88Å; Y24-F80 HydrophobicContact CE2-CD2 4.39Å; Y24-F80 HydrophobicContact CE2-CE2 4.25Å; Y24-F80 AromaticContact CZ-CD2 3.6Å; Y24-F80 AromaticContact CZ-CE2 3.78Å; Y24-F80 VanDerWaalsContact OH-CD2 3.25Å; Y24-F80 WeakPolarHBondContact OH-CD2 3.49Å; Y24-F80 VanDerWaalsContact OH-CE2 3.25Å; Y24-F80 WeakPolarHBondContact OH-CE2 3.3Å; Y25-F80 PolarHBondContact OH-O 3.18Å; F80-C82 PolarHBondContact O-N 3.25Å; F80-L83 HydrophobicContact CB-CD1 3.49Å; F80-L83 VanDerWaalsContact CB-CD1 3.49Å; F80-L83 HydrophobicContact CB-CG 3.83Å; F80-L83 HydrophobicContact CD2-CD1 4.04Å; F80-L83 HydrophobicContact CG-CD1 4.15Å; F80-L83 WeakPolarHBondContact O-CB 3.27Å; F80-L83 PolarHBondContact O-N 3.08Å; F80-Y108 WeakPolarHBondContact CD1-O 3.3Å; F80-Y108 AromaticContact CE1-CD1 3.96Å; F80-Y108 HydrophobicContact CE1-CD1 3.96Å; F80-Y108 HydrophobicContact CE1-CG 4.4Å; F80-Y108 WeakPolarHBondContact CE1-O 3.5Å; F80-Y108 AromaticContact CZ-CD1 3.73Å; F80-Y108 HydrophobicContact CZ-CD1 3.73Å; F80-Y108 HydrophobicContact CZ-CG 4.37Å; F80-Y108 PolarHBondContact N-O 2.76Å; F80-Y108 VanDerWaalsContact N-O 3.08Å; F80-T110 HydrophobicContact CB-CG2 4.08Å; F80-T110 HydrophobicContact CD1-CG2 4.12Å; F80-L175 HydrophobicContact CB-CD1 4.1Å; F80-L175 HydrophobicContact CD1-CD1 3.89Å; F80-L175 HydrophobicContact CD1-CD2 4.38Å; F80-L175 HydrophobicContact CD2-CD1 4.33Å; F80-L175 HydrophobicContact CE1-CD1 4.47Å; F80-L175 HydrophobicContact CE1-CD2 4.45Å; F80-L175 HydrophobicContact CG-CD1 3.84Å; F80-V181 HydrophobicContact CE1-CG2 3.73Å; F80-Y197 HydrophobicContact CE2-CD1 4.18Å; F80-Y197 WeakPolarHBondContact CZ-O 3.19Å
81H93.9Very high90.8Very high0 Ų018.2 Ų18.20%09%0.091CC..G310 helixtrans-60.4-24.3-178.5-62.1-162.9000112.5T78 L83 A84 W85 E89 T92 Y103 T110 I309T78-H81 PolarHBondContact O-CD2 3.15Å; T78-H81 VanDerWaalsContact O-CD2 3.27Å; T78-H81 PolarHBondContact O-NE2 3.45Å; H81-L83 PolarHBondContact O-N 3.48Å; H81-A84 PolarHBondContact O-N 3.46Å; H81-W85 PolarHBondContact O-N 3.47Å; H81-W85 VanDerWaalsContact O-N 3.16Å; H81-E89 VanDerWaalsContact CB-CD 3.46Å; H81-E89 HydrophobicContact CB-CG 4Å; H81-E89 IonicContact CD2-OE1 3.79Å; H81-E89 PolarHBondContact CD2-OE1 3.27Å; H81-E89 IonicContact CG-OE1 2.84Å; H81-E89 PolarHBondContact N-OE1 2.76Å; H81-E89 WeakPolarHBondContact ND1-CA 3.45Å; H81-T92 PolarHBondContact CE1-OG1 3.41Å; H81-T92 PolarHBondContact ND1-OG1 3.02Å; H81-Y103 AromaticContact CE1-CZ 3.85Å; H81-Y103 PolarHBondContact CE1-OH 3.44Å; H81-T110 PolarHBondContact N-OG1 2.75Å; H81-I309 HydrophobicContact CB-CG2 4.18Å; H81-I309 WeakPolarHBondContact CE1-CD1 3.4Å; H81-I309 WeakPolarHBondContact CE1-CG1 3.21Å; H81-I309 WeakPolarHBondContact ND1-CG1 3.4Å; H81-I309 WeakPolarHBondContact NE2-CD1 3.41Å; H81-I309 WeakPolarHBondContact NE2-CG1 3.45Å
82C94.5Very high91.1Very high19 Ų1918.1 Ų18.113%0.1289%0.09CC..G310 helixtrans-66.8-12.5176.1-65.70000114.4F80 A84 W85 T110 L179F80-C82 PolarHBondContact O-N 3.25Å; C82-A84 VanDerWaalsContact C-N 3.26Å; C82-W85 VanDerWaalsContact CA-O 3.25Å; C82-W85 WeakPolarHBondContact CA-O 3.46Å; C82-T110 HydrophobicContact CB-CG2 4.02Å; C82-T110 VanDerWaalsContact CB-OG1 3.24Å; C82-T110 WeakPolarHBondContact CB-OG1 3.37Å; C82-T110 PolarHBondContact N-OG1 3.12Å; C82-T110 VanDerWaalsContact SG-CB 3.58Å; C82-T110 PolarHBondContact SG-OG1 3.45Å; C82-L179 HydrophobicContact CB-CD1 4.05Å; C82-L179 HydrophobicContact CB-CD2 3.61Å; C82-L179 HydrophobicContact CB-CG 4.47Å
83L91.9Very high91.7Very high19 Ų1918 Ų1810%0.0999%0.09CC..G310 helixtrans-68.6-28.3167.3-71.1171.6000112.4T21 Y24 Y25 F80 H81 F173 L175 P176 L179T21-L83 HydrophobicContact CG2-CB 3.8Å; Y24-L83 HydrophobicContact CD1-CD1 4.23Å; Y24-L83 HydrophobicContact CE1-CD1 4.34Å; Y25-L83 HydrophobicContact CE2-CB 4.18Å; Y25-L83 WeakPolarHBondContact OH-CB 3.06Å; F80-L83 HydrophobicContact CB-CD1 3.49Å; F80-L83 VanDerWaalsContact CB-CD1 3.49Å; F80-L83 HydrophobicContact CB-CG 3.83Å; F80-L83 HydrophobicContact CD2-CD1 4.04Å; F80-L83 HydrophobicContact CG-CD1 4.15Å; F80-L83 WeakPolarHBondContact O-CB 3.27Å; F80-L83 PolarHBondContact O-N 3.08Å; H81-L83 PolarHBondContact O-N 3.48Å; L83-F173 HydrophobicContact CD1-CE2 4.3Å; L83-F173 HydrophobicContact CD1-CZ 3.78Å; L83-L175 HydrophobicContact CD1-CD1 4.35Å; L83-L175 HydrophobicContact CD2-CD1 4.18Å; L83-L175 HydrophobicContact CG-CD1 4.22Å; L83-P176 VanDerWaalsContact CD2-CD 3.4Å; L83-P176 HydrophobicContact CD2-CG 3.75Å; L83-L179 HydrophobicContact CD2-CD1 3.86Å; L83-L179 HydrophobicContact CG-CD1 4.15Å
84A89.9Confident92.4Very high3 Ų321.4 Ų21.43%0.02510%0.102CC..THydrogen-bonded Turntrans-93.7-31.4179.600000112.3L17 Y25 H81 C82 V313 I314L17-A84 HydrophobicContact CD2-CB 4.43Å; Y25-A84 HydrophobicContact CE2-CB 4.18Å; H81-A84 PolarHBondContact O-N 3.46Å; C82-A84 VanDerWaalsContact C-N 3.26Å; A84-V313 HydrophobicContact CB-CB 4.4Å; A84-I314 HydrophobicContact CB-CB 4.46Å; A84-I314 VanDerWaalsContact O-CA 3.3Å; A84-I314 WeakPolarHBondContact O-CA 3.03Å; A84-I314 WeakPolarHBondContact O-CB 3.1Å; A84-I314 WeakPolarHBondContact O-CD1 3.43Å
85W92.1Very high93Very high73 Ų7321.4 Ų21.428%0.27710%0.102SC..  trans-162.2140.4-177.5-174.4-106.1000111.8H81 C82 E87 G88 V313H81-W85 PolarHBondContact O-N 3.47Å; H81-W85 VanDerWaalsContact O-N 3.16Å; C82-W85 VanDerWaalsContact CA-O 3.25Å; C82-W85 WeakPolarHBondContact CA-O 3.46Å; W85-E87 VanDerWaalsContact C-N 3.28Å; W85-E87 PolarHBondContact O-N 2.71Å; W85-E87 VanDerWaalsContact O-N 3.08Å; W85-G88 WeakPolarHBondContact O-CA 3.32Å; W85-G88 PolarHBondContact O-N 3.32Å; W85-V313 HydrophobicContact CB-CB 3.84Å; W85-V313 HydrophobicContact CB-CG1 3.23Å; W85-V313 WeakPolarHBondContact CB-O 3.37Å; W85-V313 HydrophobicContact CG-CG1 3.68Å; W85-V313 VanDerWaalsContact CG-O 3.32Å
86H92.6Very high93.3Very high145 Ų14521.5 Ų21.567%0.67110%0.103SC*.THydrogen-bonded Turntrans-55-32.3-173.471.3-70.1000116.2
87E93.9Very high93.9Very high55 Ų5524.3 Ų24.326%0.25712%0.116SC..THydrogen-bonded Turntrans-84.1-12.7174.6-66.5-176.2101.700114W85 E89 V90 A91 R94W85-E87 VanDerWaalsContact C-N 3.28Å; W85-E87 PolarHBondContact O-N 2.71Å; W85-E87 VanDerWaalsContact O-N 3.08Å; E87-E89 PolarHBondContact O-N 3.39Å; E87-V90 WeakPolarHBondContact O-CB 3.38Å; E87-V90 PolarHBondContact O-N 2.9Å; E87-A91 HydrophobicContact CB-CB 3.92Å; E87-A91 PolarHBondContact O-N 3.44Å; E87-R94 IonicContact OE1-CZ 2.69Å; E87-R94 VanDerWaalsContact OE1-CZ 3.3Å; E87-R94 IonicContact OE1-NH1 2.91Å; E87-R94 PolarHBondContact OE1-NH1 2.72Å; E87-R94 IonicContact OE1-NH2 3.29Å; E87-R94 PolarHBondContact OE1-NH2 3.19Å; E87-R94 IonicContact OE2-NH1 2.77Å
88G93.7Very high94.1Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans42.9-118.6173.100000116.4W85 V90 A91 T92W85-G88 WeakPolarHBondContact O-CA 3.32Å; W85-G88 PolarHBondContact O-N 3.32Å; G88-V90 VanDerWaalsContact C-N 3.28Å; G88-V90 PolarHBondContact O-N 3.37Å; G88-A91 PolarHBondContact O-N 3.38Å; G88-T92 PolarHBondContact O-N 3.22Å; G88-T92 PolarHBondContact O-OG1 3.41Å
89E95.5Very high94.3Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-66.1-29-176.4-67.779.4-179.800112.6H81 E87 T92 A93 Y103 S109 T110 C111 I116H81-E89 VanDerWaalsContact CB-CD 3.46Å; H81-E89 HydrophobicContact CB-CG 4Å; H81-E89 IonicContact CD2-OE1 3.79Å; H81-E89 PolarHBondContact CD2-OE1 3.27Å; H81-E89 IonicContact CG-OE1 2.84Å; H81-E89 PolarHBondContact N-OE1 2.76Å; H81-E89 WeakPolarHBondContact ND1-CA 3.45Å; E87-E89 PolarHBondContact O-N 3.39Å; E89-T92 WeakPolarHBondContact O-CB 3.48Å; E89-T92 PolarHBondContact O-N 3.17Å; E89-A93 WeakPolarHBondContact O-CB 3.37Å; E89-A93 PolarHBondContact O-N 2.91Å; E89-Y103 WeakPolarHBondContact CB-OH 3.43Å; E89-Y103 WeakPolarHBondContact CG-OH 3.23Å; E89-S109 VanDerWaalsContact OE1-CA 3.3Å; E89-S109 WeakPolarHBondContact OE1-CA 3.23Å; E89-T110 VanDerWaalsContact CD-N 3.28Å; E89-T110 VanDerWaalsContact CD-OG1 3.26Å; E89-T110 PolarHBondContact OE1-N 3.1Å; E89-T110 PolarHBondContact OE1-OG1 3.31Å; E89-T110 PolarHBondContact OE2-N 2.96Å; E89-T110 PolarHBondContact OE2-OG1 2.98Å; E89-C111 HydrophobicContact CB-CB 3.97Å; E89-C111 PolarHBondContact OE2-N 2.77Å; E89-C111 PolarHBondContact OE2-SG 3.15Å; E89-C111 VanDerWaalsContact OE2-SG 3.4Å; E89-I116 HydrophobicContact CB-CD1 3.63Å; E89-I116 HydrophobicContact CB-CG1 3.8Å; E89-I116 HydrophobicContact CG-CD1 4.18Å
90V96.9Very high94.5Very high20 Ų2030 Ų3012%0.12116%0.158CC..Hα-helixtrans-63.5-45176.3156.10000111.1E87 G88 T92 A93 R94 C111 E115 A119E87-V90 WeakPolarHBondContact O-CB 3.38Å; E87-V90 PolarHBondContact O-N 2.9Å; G88-V90 VanDerWaalsContact C-N 3.28Å; G88-V90 PolarHBondContact O-N 3.37Å; V90-T92 VanDerWaalsContact C-N 3.27Å; V90-T92 PolarHBondContact O-N 2.85Å; V90-A93 PolarHBondContact O-N 3.43Å; V90-R94 PolarHBondContact O-N 3.23Å; V90-R94 VanDerWaalsContact O-N 3.1Å; V90-C111 HydrophobicContact CG2-CB 4.15Å; V90-E115 HydrophobicContact CG2-CB 4.27Å; V90-A119 HydrophobicContact CB-CB 4.1Å; V90-A119 HydrophobicContact CG1-CB 3.47Å; V90-A119 VanDerWaalsContact CG1-CB 3.47Å; V90-A119 HydrophobicContact CG2-CB 3.95Å
91A95.3Very high94.4Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-61.5-37.617400000112.1E87 G88 A95 V313 E318E87-A91 HydrophobicContact CB-CB 3.92Å; E87-A91 PolarHBondContact O-N 3.44Å; G88-A91 PolarHBondContact O-N 3.38Å; A91-A95 PolarHBondContact O-N 2.8Å; A91-V313 HydrophobicContact CB-CG1 4.32Å; A91-E318 HydrophobicContact CB-CB 4.14Å
92T94.7Very high94.3Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-66.8-38.9177.3-51.50000111.4I75 H81 G88 E89 V90 T96 Y103I75-T92 HydrophobicContact CG1-CG2 4.41Å; I75-T92 HydrophobicContact CG2-CG2 4.05Å; H81-T92 PolarHBondContact CE1-OG1 3.41Å; H81-T92 PolarHBondContact ND1-OG1 3.02Å; G88-T92 PolarHBondContact O-N 3.22Å; G88-T92 PolarHBondContact O-OG1 3.41Å; E89-T92 WeakPolarHBondContact O-CB 3.48Å; E89-T92 PolarHBondContact O-N 3.17Å; V90-T92 VanDerWaalsContact C-N 3.27Å; V90-T92 PolarHBondContact O-N 2.85Å; T92-T96 WeakPolarHBondContact O-CB 3.13Å; T92-T96 WeakPolarHBondContact O-CG2 3.32Å; T92-T96 PolarHBondContact O-N 3.42Å; T92-T96 VanDerWaalsContact O-N 3.08Å; T92-T96 PolarHBondContact O-OG1 3.39Å; T92-Y103 HydrophobicContact CG2-CD1 4.32Å; T92-Y103 HydrophobicContact CG2-CD2 4.13Å; T92-Y103 HydrophobicContact CG2-CE1 4.03Å; T92-Y103 HydrophobicContact CG2-CE2 3.86Å; T92-Y103 HydrophobicContact CG2-CG 4.38Å
93A96.4Very high94.3Very high1 Ų129.1 Ų29.11%0.00815%0.152CC..Hα-helixtrans-66.2-44.8179.600000112.3E89 V90 T96 E97 Y103 I116 A120E89-A93 WeakPolarHBondContact O-CB 3.37Å; E89-A93 PolarHBondContact O-N 2.91Å; V90-A93 PolarHBondContact O-N 3.43Å; A93-T96 PolarHBondContact O-N 3.33Å; A93-T96 PolarHBondContact O-OG1 2.89Å; A93-T96 VanDerWaalsContact O-OG1 3.06Å; A93-E97 WeakPolarHBondContact O-CB 3.16Å; A93-E97 PolarHBondContact O-N 3.21Å; A93-Y103 HydrophobicContact CB-CD1 4.12Å; A93-Y103 HydrophobicContact CB-CE1 4.12Å; A93-I116 HydrophobicContact CB-CG2 3.84Å; A93-A120 VanDerWaalsContact C-CB 3.49Å; A93-A120 HydrophobicContact CB-CB 3.82Å; A93-A120 WeakPolarHBondContact O-CB 3.25Å
94R97.2Very high94.4Very high74 Ų7428.2 Ų28.228%0.27915%0.147SC..Hα-helixtrans-63.2-45.4177.2-66.7-172.9-151.8131.72.8112E87 V90 T96 E97 G98 A119 E318E87-R94 IonicContact OE1-CZ 2.69Å; E87-R94 VanDerWaalsContact OE1-CZ 3.3Å; E87-R94 IonicContact OE1-NH1 2.91Å; E87-R94 PolarHBondContact OE1-NH1 2.72Å; E87-R94 IonicContact OE1-NH2 3.29Å; E87-R94 PolarHBondContact OE1-NH2 3.19Å; E87-R94 IonicContact OE2-NH1 2.77Å; V90-R94 PolarHBondContact O-N 3.23Å; V90-R94 VanDerWaalsContact O-N 3.1Å; R94-T96 PolarHBondContact O-N 2.79Å; R94-E97 PolarHBondContact O-N 3.35Å; R94-G98 PolarHBondContact O-N 2.56Å; R94-A119 HydrophobicContact CG-CB 4.29Å; R94-A119 WeakPolarHBondContact CG-O 3.5Å; R94-E318 VanDerWaalsContact CB-CD 3.46Å; R94-E318 HydrophobicContact CB-CG 4.06Å; R94-E318 VanDerWaalsContact CD-OE2 3.28Å; R94-E318 WeakPolarHBondContact CD-OE2 3.39Å; R94-E318 IonicContact NH1-OE2 3.92Å
95A94.7Very high94.7Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-63.1-40.7179.400000112.7A91 G98 L99 E318 V321A91-A95 PolarHBondContact O-N 2.8Å; A95-G98 PolarHBondContact O-N 2.89Å; A95-L99 PolarHBondContact O-N 2.81Å; A95-L99 VanDerWaalsContact O-N 3.12Å; A95-E318 HydrophobicContact CB-CG 3.9Å; A95-V321 HydrophobicContact CB-CB 3.69Å; A95-V321 HydrophobicContact CB-CG1 3.4Å
96T93.9Very high94.9Very high1 Ų124.9 Ų24.91%0.00614%0.135CC..Hα-helixtrans-73.4-33.3179.348.90000113.1I75 T92 A93 R94 N100 T101 L325I75-T96 HydrophobicContact CB-CG2 4.4Å; I75-T96 HydrophobicContact CD1-CG2 4.41Å; I75-T96 HydrophobicContact CG1-CG2 3.39Å; T92-T96 WeakPolarHBondContact O-CB 3.13Å; T92-T96 WeakPolarHBondContact O-CG2 3.32Å; T92-T96 PolarHBondContact O-N 3.42Å; T92-T96 VanDerWaalsContact O-N 3.08Å; T92-T96 PolarHBondContact O-OG1 3.39Å; A93-T96 PolarHBondContact O-N 3.33Å; A93-T96 PolarHBondContact O-OG1 2.89Å; A93-T96 VanDerWaalsContact O-OG1 3.06Å; R94-T96 PolarHBondContact O-N 2.79Å; T96-N100 PolarHBondContact O-N 3.19Å; T96-N100 VanDerWaalsContact O-N 3.09Å; T96-T101 HydrophobicContact CG2-CG2 3.82Å; T96-T101 PolarHBondContact O-N 3.05Å; T96-L325 HydrophobicContact CG2-CD1 4.07Å
97E97.3Very high95.2Very high60 Ų6018 Ų1828%0.2810%0.103SC..Hα-helixtrans-62.5-50.9168.7177.5177.685.300111.5A93 R94 L99 N100 A120 S122 G123A93-E97 WeakPolarHBondContact O-CB 3.16Å; A93-E97 PolarHBondContact O-N 3.21Å; R94-E97 PolarHBondContact O-N 3.35Å; E97-L99 PolarHBondContact O-N 2.8Å; E97-N100 PolarHBondContact O-N 3.41Å; E97-A120 HydrophobicContact CB-CB 3.95Å; E97-A120 HydrophobicContact CG-CB 4.49Å; E97-A120 WeakPolarHBondContact OE2-CA 3.29Å; E97-S122 VanDerWaalsContact OE2-C 3.26Å; E97-S122 WeakPolarHBondContact OE2-CA 3.31Å; E97-S122 WeakPolarHBondContact OE2-CB 3.45Å; E97-S122 PolarHBondContact OE2-N 2.98Å; E97-G123 PolarHBondContact OE2-N 3.48Å
98G96.6Very high95.3Very high62 Ų6216.5 Ų16.564%0.63910%0.095SC*.Hα-helixtrans-61.1-28.7-179.400000113.9R94 A95R94-G98 PolarHBondContact O-N 2.56Å; A95-G98 PolarHBondContact O-N 2.89Å
99L94.4Very high95.4Very high32 Ų3216.5 Ų16.517%0.16810%0.095CC..THydrogen-bonded Turntrans-961.3176.3-68.9175.9000114S70 A95 E97 T101 R322 L325S70-L99 VanDerWaalsContact CB-O 3.22Å; S70-L99 WeakPolarHBondContact CB-O 3.5Å; S70-L99 PolarHBondContact OG-O 3.34Å; A95-L99 PolarHBondContact O-N 2.81Å; A95-L99 VanDerWaalsContact O-N 3.12Å; E97-L99 PolarHBondContact O-N 2.8Å; L99-T101 PolarHBondContact O-N 2.87Å; L99-R322 HydrophobicContact CD1-CB 4.44Å; L99-R322 HydrophobicContact CD1-CG 3.8Å; L99-R322 HydrophobicContact CD2-CG 4.16Å; L99-R322 HydrophobicContact CG-CG 4.02Å; L99-L325 HydrophobicContact CD1-CB 3.32Å; L99-L325 HydrophobicContact CD1-CD1 3.65Å; L99-L325 HydrophobicContact CD1-CG 4.13Å
100N96.6Very high95.5Very high66 Ų6616.7 Ų16.735%0.35310%0.096SC..THydrogen-bonded Turntrans49.757.9-176.8-173.440.7000112.9E68 I69 S70 T96 E97E68-N100 PolarHBondContact O-ND2 3.36Å; I69-N100 VanDerWaalsContact CA-O 3.31Å; I69-N100 WeakPolarHBondContact CA-O 3.27Å; I69-N100 WeakPolarHBondContact CB-O 3.07Å; S70-N100 PolarHBondContact N-O 3.19Å; S70-N100 PolarHBondContact OG-O 2.83Å; T96-N100 PolarHBondContact O-N 3.19Å; T96-N100 VanDerWaalsContact O-N 3.09Å; E97-N100 PolarHBondContact O-N 3.41Å
101T91.3Very high95.5Very high0 Ų016 Ų160%09%0.092CC..  trans-127.8167.4172.2-164.90000112.7V73 G74 T96 L99 L325V73-T101 PolarHBondContact O-OG1 3.03Å; G74-T101 WeakPolarHBondContact CA-OG1 3.28Å; T96-T101 HydrophobicContact CG2-CG2 3.82Å; T96-T101 PolarHBondContact O-N 3.05Å; L99-T101 PolarHBondContact O-N 2.87Å; T101-L325 HydrophobicContact CG2-CD1 4.17Å
102C90.7Very high95.6Very high0 Ų016.8 Ų16.80%010%0.098CC..EExtended strand (participates in β ladder)trans-78.4132-179.7-1700000111.4G74 I75 Y124 F304G74-C102 CarbonylContact C-O 3.57Å; G74-C102 WeakPolarHBondContact CA-O 3.29Å; I75-C102 PolarHBondContact N-O 3.05Å; C102-Y124 CarbonylContact C-O 3.55Å; C102-Y124 VanDerWaalsContact CA-O 3.32Å; C102-Y124 WeakPolarHBondContact CA-O 3.49Å; C102-Y124 HydrophobicContact CB-CD1 3.69Å; C102-Y124 HydrophobicContact CB-CE1 4.01Å; C102-F304 HydrophobicContact CB-CE1 3.89Å; C102-F304 HydrophobicContact CB-CZ 4.2Å
103Y94.8Very high95.8Very high0 Ų016.8 Ų16.80%010%0.098CC..EExtended strand (participates in β ladder)trans-115.4115.9169.2177-155.7000110.5I75 H81 E89 T92 A93 T105 I116 Y124 R125 W126I75-Y103 HydrophobicContact CB-CD2 3.77Å; I75-Y103 HydrophobicContact CB-CE2 4.49Å; I75-Y103 HydrophobicContact CG2-CD2 3.73Å; I75-Y103 HydrophobicContact CG2-CE2 3.94Å; H81-Y103 AromaticContact CE1-CZ 3.85Å; H81-Y103 PolarHBondContact CE1-OH 3.44Å; E89-Y103 WeakPolarHBondContact CB-OH 3.43Å; E89-Y103 WeakPolarHBondContact CG-OH 3.23Å; T92-Y103 HydrophobicContact CG2-CD1 4.32Å; T92-Y103 HydrophobicContact CG2-CD2 4.13Å; T92-Y103 HydrophobicContact CG2-CE1 4.03Å; T92-Y103 HydrophobicContact CG2-CE2 3.86Å; T92-Y103 HydrophobicContact CG2-CG 4.38Å; A93-Y103 HydrophobicContact CB-CD1 4.12Å; A93-Y103 HydrophobicContact CB-CE1 4.12Å; Y103-T105 HydrophobicContact CD1-CG2 3.85Å; Y103-T105 HydrophobicContact CD2-CG2 4.49Å; Y103-T105 HydrophobicContact CE1-CG2 3.52Å; Y103-T105 HydrophobicContact CE2-CG2 4.19Å; Y103-T105 HydrophobicContact CG-CG2 4.33Å; Y103-I116 HydrophobicContact CE1-CG2 4.31Å; Y103-Y124 PolarHBondContact N-O 2.88Å; Y103-R125 CarbonylContact O-C 3.46Å; Y103-R125 VanDerWaalsContact O-CA 3.27Å; Y103-R125 WeakPolarHBondContact O-CA 3.25Å; Y103-W126 PolarHBondContact O-N 3.28Å
104I95Very high95.9Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-88.2109.6169.2-48.6173.3000108.4I75 A76 P77 W126 Q128 V154 I247 F304I75-I104 WeakPolarHBondContact O-CB 3.34Å; I75-I104 PolarHBondContact O-N 3.38Å; A76-I104 CarbonylContact C-O 3.23Å; P77-I104 VanDerWaalsContact CA-O 3.23Å; P77-I104 WeakPolarHBondContact CA-O 3.44Å; P77-I104 HydrophobicContact CB-CB 4.37Å; P77-I104 HydrophobicContact CB-CG2 3.87Å; P77-I104 HydrophobicContact CG-CB 4.4Å; P77-I104 HydrophobicContact CG-CG2 3.89Å; I104-W126 CarbonylContact C-O 3.52Å; I104-W126 WeakPolarHBondContact CA-O 3.16Å; I104-W126 HydrophobicContact CD1-CE3 4.42Å; I104-W126 HydrophobicContact CG1-CB 4.15Å; I104-W126 HydrophobicContact CG1-CE3 4.34Å; I104-W126 HydrophobicContact CG2-CB 4.36Å; I104-Q128 HydrophobicContact CG2-CB 3.84Å; I104-V154 HydrophobicContact CD1-CG2 4.15Å; I104-V154 HydrophobicContact CG1-CG2 4.43Å; I104-V154 HydrophobicContact CG2-CB 4.11Å; I104-V154 HydrophobicContact CG2-CG2 3.82Å; I104-I247 HydrophobicContact CD1-CD1 3.8Å; I104-F304 HydrophobicContact CD1-CB 4.43Å; I104-F304 HydrophobicContact CD1-CD1 3.25Å; I104-F304 HydrophobicContact CD1-CD2 4.33Å; I104-F304 HydrophobicContact CD1-CE1 3.43Å; I104-F304 VanDerWaalsContact CD1-CE1 3.43Å; I104-F304 HydrophobicContact CD1-CG 3.71Å; I104-F304 HydrophobicContact CD1-CZ 4.07Å; I104-F304 HydrophobicContact CG1-CD1 3.66Å; I104-F304 HydrophobicContact CG1-CE1 3.56Å; I104-F304 HydrophobicContact CG1-CZ 4.46Å
105T96.2Very high96Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-79.6141.8177.160.10000110.6Y103 I116 W126 F127 Q128 Y150Y103-T105 HydrophobicContact CD1-CG2 3.85Å; Y103-T105 HydrophobicContact CD2-CG2 4.49Å; Y103-T105 HydrophobicContact CE1-CG2 3.52Å; Y103-T105 HydrophobicContact CE2-CG2 4.19Å; Y103-T105 HydrophobicContact CG-CG2 4.33Å; T105-I116 HydrophobicContact CG2-CD1 4.05Å; T105-I116 HydrophobicContact CG2-CG2 3.94Å; T105-W126 PolarHBondContact N-O 3.03Å; T105-W126 PolarHBondContact OG1-O 2.83Å; T105-F127 VanDerWaalsContact OG1-CD2 3.29Å; T105-F127 WeakPolarHBondContact OG1-CD2 3.31Å; T105-Q128 WeakPolarHBondContact O-CB 3.35Å; T105-Q128 PolarHBondContact O-N 3.4Å; T105-Y150 HydrophobicContact CG2-CE1 4Å; T105-Y150 VanDerWaalsContact OG1-CE1 3.25Å; T105-Y150 WeakPolarHBondContact OG1-CE1 3.19Å; T105-Y150 PolarHBondContact OG1-OH 2.67Å
106S96.3Very high96.2Very high6 Ų620.1 Ų20.14%0.04212%0.116CC..  trans-77.9148.8177.9-175.30000111.9T78 Y108 S109 Q128 N183T78-S106 VanDerWaalsContact O-CB 3.3Å; T78-S106 WeakPolarHBondContact O-CB 3.16Å; S106-Y108 PolarHBondContact O-N 3.24Å; S106-Y108 PolarHBondContact OG-N 3.35Å; S106-S109 PolarHBondContact N-OG 2.78Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.09Å; S106-S109 PolarHBondContact O-OG 2.99Å; S106-Q128 PolarHBondContact OG-OE1 3.32Å; S106-N183 PolarHBondContact O-ND2 3.05Å
107T97.8Very high96.4Very high0 Ų021.1 Ų21.10%012%0.122CC..THydrogen-bonded Turntrans-56.8-34.5163.1-61.30000111S109 F127 Q128 L129 Y132 L141 N183 F184T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.29Å; T107-F127 HydrophobicContact CG2-CZ 4.45Å; T107-Q128 PolarHBondContact N-O 3.26Å; T107-Q128 VanDerWaalsContact N-OE1 3.11Å; T107-Q128 PolarHBondContact OG1-O 2.68Å; T107-L129 WeakPolarHBondContact OG1-CA 3.17Å; T107-Y132 HydrophobicContact CG2-CE2 4.1Å; T107-Y132 WeakPolarHBondContact CG2-OH 3.4Å; T107-L141 HydrophobicContact CG2-CD1 3.84Å; T107-N183 PolarHBondContact O-ND2 3.38Å; T107-F184 HydrophobicContact CG2-CE2 3.65Å; T107-F184 HydrophobicContact CG2-CZ 3.62Å
108Y96.2Very high96.5Very high24 Ų2421.9 Ų21.99%0.09414%0.139CC..THydrogen-bonded Turntrans-91.639.7-178.1-75.6-112.2000112.7A79 F80 S106 Y130 Y132 V181 I199A79-Y108 WeakPolarHBondContact CA-O 3.49Å; A79-Y108 WeakPolarHBondContact CB-O 3.43Å; F80-Y108 WeakPolarHBondContact CD1-O 3.3Å; F80-Y108 AromaticContact CE1-CD1 3.96Å; F80-Y108 HydrophobicContact CE1-CD1 3.96Å; F80-Y108 HydrophobicContact CE1-CG 4.4Å; F80-Y108 WeakPolarHBondContact CE1-O 3.5Å; F80-Y108 AromaticContact CZ-CD1 3.73Å; F80-Y108 HydrophobicContact CZ-CD1 3.73Å; F80-Y108 HydrophobicContact CZ-CG 4.37Å; F80-Y108 PolarHBondContact N-O 2.76Å; F80-Y108 VanDerWaalsContact N-O 3.08Å; S106-Y108 PolarHBondContact O-N 3.24Å; S106-Y108 PolarHBondContact OG-N 3.35Å; Y108-Y130 AromaticContact CD2-CD2 4Å; Y108-Y130 HydrophobicContact CD2-CD2 4Å; Y108-Y130 AromaticContact CD2-CE2 3.97Å; Y108-Y130 HydrophobicContact CD2-CE2 3.97Å; Y108-Y130 AromaticContact CE2-CD2 3.66Å; Y108-Y130 HydrophobicContact CE2-CD2 3.66Å; Y108-Y130 AromaticContact CE2-CE2 3.86Å; Y108-Y130 HydrophobicContact CE2-CE2 3.86Å; Y108-Y132 WeakPolarHBondContact CE2-OH 3.49Å; Y108-V181 HydrophobicContact CD1-CG1 4.46Å; Y108-V181 HydrophobicContact CD1-CG2 4.21Å; Y108-V181 HydrophobicContact CG-CG1 4.47Å; Y108-I199 HydrophobicContact CE1-CD1 3.79Å; Y108-I199 HydrophobicContact CE1-CG1 3.88Å; Y108-I199 HydrophobicContact CE1-CG2 4.47Å; Y108-I199 WeakPolarHBondContact OH-CD1 3.4Å
109S95.9Very high96.5Very high0 Ų020.2 Ų20.20%012%0.119CC..  trans-75.6144.3178.4-63.60000111.8E89 S106 T107 C111 K182E89-S109 VanDerWaalsContact OE1-CA 3.3Å; E89-S109 WeakPolarHBondContact OE1-CA 3.23Å; S106-S109 PolarHBondContact N-OG 2.78Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.09Å; S106-S109 PolarHBondContact O-OG 2.99Å; T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.29Å; S109-C111 WeakPolarHBondContact CB-O 3.33Å; S109-K182 PolarHBondContact O-N 3.19Å; S109-K182 VanDerWaalsContact O-N 3.12Å
110T96.8Very high96.7Very high4 Ų418.7 Ų18.73%0.02511%0.111CC..SBendtrans-85.8-8.6171.935.90000114.1F80 H81 C82 E89 L175 L179 K182F80-T110 HydrophobicContact CB-CG2 4.08Å; F80-T110 HydrophobicContact CD1-CG2 4.12Å; H81-T110 PolarHBondContact N-OG1 2.75Å; C82-T110 HydrophobicContact CB-CG2 4.02Å; C82-T110 VanDerWaalsContact CB-OG1 3.24Å; C82-T110 WeakPolarHBondContact CB-OG1 3.37Å; C82-T110 PolarHBondContact N-OG1 3.12Å; C82-T110 VanDerWaalsContact SG-CB 3.58Å; C82-T110 PolarHBondContact SG-OG1 3.45Å; E89-T110 VanDerWaalsContact CD-N 3.28Å; E89-T110 VanDerWaalsContact CD-OG1 3.26Å; E89-T110 PolarHBondContact OE1-N 3.1Å; E89-T110 PolarHBondContact OE1-OG1 3.31Å; E89-T110 PolarHBondContact OE2-N 2.96Å; E89-T110 PolarHBondContact OE2-OG1 2.98Å; T110-L175 HydrophobicContact CG2-CD1 4.48Å; T110-L179 HydrophobicContact CG2-CB 4.29Å; T110-K182 WeakPolarHBondContact O-CD 3.36Å; T110-K182 WeakPolarHBondContact O-CE 3.31Å; T110-K182 VanDerWaalsContact O-CG 3.25Å; T110-K182 WeakPolarHBondContact O-CG 3.29Å
111C97.3Very high96.8Very high6 Ų619.7 Ų19.74%0.04112%0.121CC..SBendtrans-105.8148.5160-52.60000109.5E89 V90 S109 E115 I116E89-C111 HydrophobicContact CB-CB 3.97Å; E89-C111 PolarHBondContact OE2-N 2.77Å; E89-C111 PolarHBondContact OE2-SG 3.15Å; E89-C111 VanDerWaalsContact OE2-SG 3.4Å; V90-C111 HydrophobicContact CG2-CB 4.15Å; S109-C111 WeakPolarHBondContact CB-O 3.33Å; C111-E115 VanDerWaalsContact CA-OE2 3.28Å; C111-E115 WeakPolarHBondContact CA-OE2 3.04Å; C111-E115 HydrophobicContact CB-CB 4.33Å; C111-I116 HydrophobicContact CB-CD1 4.21Å; C111-I116 HydrophobicContact CB-CG1 3.83Å
112S98.4Very high97.1Very high17 Ų1724.9 Ų24.912%0.11916%0.158CC..  trans-73157.1173.891.40000110.5E114 E115 I116S112-E114 VanDerWaalsContact CB-OE2 3.22Å; S112-E114 WeakPolarHBondContact CB-OE2 3.28Å; S112-E114 PolarHBondContact O-N 3.03Å; S112-E114 PolarHBondContact OG-N 3.41Å; S112-E114 PolarHBondContact OG-OE2 3.49Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 3.43Å; S112-E115 VanDerWaalsContact O-N 3.15Å; S112-E115 PolarHBondContact OG-N 3.44Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 3.09Å
113V98.5Very high97.4Very high0 Ų025.2 Ų25.20%016%0.161CC..Hα-helixtrans-58.5-30.6174.7-69.80000112.4V117 F127 V145 L148 Y150 N183V113-V117 WeakPolarHBondContact O-CB 3.36Å; V113-V117 VanDerWaalsContact O-CG2 3.31Å; V113-V117 WeakPolarHBondContact O-CG2 3.35Å; V113-V117 PolarHBondContact O-N 3.22Å; V113-F127 HydrophobicContact CG1-CD2 3.85Å; V113-F127 HydrophobicContact CG1-CE2 3.59Å; V113-V145 HydrophobicContact CB-CG1 4.22Å; V113-V145 HydrophobicContact CG1-CG1 3.83Å; V113-V145 HydrophobicContact CG2-CG1 4.22Å; V113-L148 HydrophobicContact CB-CD1 3.9Å; V113-L148 HydrophobicContact CG2-CD1 3.54Å; V113-Y150 HydrophobicContact CB-CE2 4.12Å; V113-Y150 HydrophobicContact CG1-CE2 4.4Å; V113-N183 PolarHBondContact N-OD1 2.88Å
114E98.6Very high97.5Very high69 Ų6925.9 Ų25.932%0.32216%0.163SC..Hα-helixtrans-67.8-46.6174.2-58.773.9-164.100111.7S112 I116 V117 A118 R144 L148S112-E114 VanDerWaalsContact CB-OE2 3.22Å; S112-E114 WeakPolarHBondContact CB-OE2 3.28Å; S112-E114 PolarHBondContact O-N 3.03Å; S112-E114 PolarHBondContact OG-N 3.41Å; S112-E114 PolarHBondContact OG-OE2 3.49Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.28Å; E114-V117 PolarHBondContact O-N 3.34Å; E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.3Å; E114-A118 PolarHBondContact O-N 3.31Å; E114-R144 VanDerWaalsContact CD-NH2 3.27Å; E114-R144 IonicContact OE1-CZ 3.84Å; E114-R144 IonicContact OE1-NE 2.71Å; E114-R144 PolarHBondContact OE1-NE 3.43Å; E114-R144 IonicContact OE1-NH2 2.91Å; E114-R144 PolarHBondContact OE1-NH2 2.67Å; E114-R144 IonicContact OE2-NH2 3.44Å; E114-R144 PolarHBondContact OE2-NH2 2.86Å; E114-L148 HydrophobicContact CG-CD1 3.97Å; E114-L148 HydrophobicContact CG-CD2 4.34Å
115E98.6Very high97.6Very high75 Ų7526.3 Ų26.335%0.3517%0.165SC..Hα-helixtrans-61.5-43.1176.7-68.3174.5147.800111.4V90 C111 S112 A118 A119 K182V90-E115 HydrophobicContact CG2-CB 4.27Å; C111-E115 VanDerWaalsContact CA-OE2 3.28Å; C111-E115 WeakPolarHBondContact CA-OE2 3.04Å; C111-E115 HydrophobicContact CB-CB 4.33Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 3.43Å; S112-E115 VanDerWaalsContact O-N 3.15Å; S112-E115 PolarHBondContact OG-N 3.44Å; E115-A118 PolarHBondContact O-N 2.95Å; E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.44Å; E115-K182 IonicContact OE1-NZ 3.1Å; E115-K182 PolarHBondContact OE1-NZ 3.21Å; E115-K182 WeakPolarHBondContact OE2-CD 3.45Å; E115-K182 IonicContact OE2-NZ 3.35Å; E115-K182 PolarHBondContact OE2-NZ 2.89Å
116I98.4Very high97.7Very high0 Ų026.3 Ų26.30%017%0.165CC..Hα-helixtrans-61.3-45.5178.1-70.3166.9000111E89 A93 Y103 T105 C111 S112 E114 A120E89-I116 HydrophobicContact CB-CD1 3.63Å; E89-I116 HydrophobicContact CB-CG1 3.8Å; E89-I116 HydrophobicContact CG-CD1 4.18Å; A93-I116 HydrophobicContact CB-CG2 3.84Å; Y103-I116 HydrophobicContact CE1-CG2 4.31Å; T105-I116 HydrophobicContact CG2-CD1 4.05Å; T105-I116 HydrophobicContact CG2-CG2 3.94Å; C111-I116 HydrophobicContact CB-CD1 4.21Å; C111-I116 HydrophobicContact CB-CG1 3.83Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 3.09Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.28Å; I116-A120 PolarHBondContact O-N 3.35Å
117V98.8Very high97.8Very high22 Ų2226 Ų2613%0.13316%0.163CC..Hα-helixtrans-70.5-39.8179169.30000111.5V113 E114 A119 A120 P121 L148 Y150V113-V117 WeakPolarHBondContact O-CB 3.36Å; V113-V117 VanDerWaalsContact O-CG2 3.31Å; V113-V117 WeakPolarHBondContact O-CG2 3.35Å; V113-V117 PolarHBondContact O-N 3.22Å; E114-V117 PolarHBondContact O-N 3.34Å; V117-A119 VanDerWaalsContact C-N 3.27Å; V117-A119 PolarHBondContact O-N 3.44Å; V117-A120 CarbonylContact O-C 3.42Å; V117-A120 VanDerWaalsContact O-C 3.23Å; V117-A120 PolarHBondContact O-N 3.38Å; V117-P121 VanDerWaalsContact O-CA 3.23Å; V117-P121 WeakPolarHBondContact O-CA 3.23Å; V117-P121 VanDerWaalsContact O-N 3.14Å; V117-L148 HydrophobicContact CG2-CB 4.22Å; V117-Y150 HydrophobicContact CG2-CD2 4.36Å; V117-Y150 HydrophobicContact CG2-CE2 3.64Å
118A98.7Very high97.9Very high76 Ų7626.1 Ų26.163%0.62816%0.164SC*.Hα-helixtrans-61.6-36.7176.800000112.2E114 E115E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.3Å; E114-A118 PolarHBondContact O-N 3.31Å; E115-A118 PolarHBondContact O-N 2.95Å
119A98.1Very high98Very high27 Ų2725 Ų2522%0.22316%0.159CC..Hα-helixtrans-71-31.917900000114.2V90 R94 E115 V117V90-A119 HydrophobicContact CB-CB 4.1Å; V90-A119 HydrophobicContact CG1-CB 3.47Å; V90-A119 VanDerWaalsContact CG1-CB 3.47Å; V90-A119 HydrophobicContact CG2-CB 3.95Å; R94-A119 HydrophobicContact CG-CB 4.29Å; R94-A119 WeakPolarHBondContact CG-O 3.5Å; E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.44Å; V117-A119 VanDerWaalsContact C-N 3.27Å; V117-A119 PolarHBondContact O-N 3.44Å
120A98.1Very high98Very high0 Ų026.1 Ų26.10%016%0.164CC..SBendtrans-141.376.2-17800000109.8A93 E97 I116 V117 S122 G123 R125A93-A120 VanDerWaalsContact C-CB 3.49Å; A93-A120 HydrophobicContact CB-CB 3.82Å; A93-A120 WeakPolarHBondContact O-CB 3.25Å; E97-A120 HydrophobicContact CB-CB 3.95Å; E97-A120 HydrophobicContact CG-CB 4.49Å; E97-A120 WeakPolarHBondContact OE2-CA 3.29Å; I116-A120 PolarHBondContact O-N 3.35Å; V117-A120 CarbonylContact O-C 3.42Å; V117-A120 VanDerWaalsContact O-C 3.23Å; V117-A120 PolarHBondContact O-N 3.38Å; A120-S122 VanDerWaalsContact C-N 3.32Å; A120-S122 PolarHBondContact O-N 2.97Å; A120-G123 PolarHBondContact O-N 2.85Å; A120-R125 VanDerWaalsContact O-CZ 3.29Å; A120-R125 PolarHBondContact O-NE 2.97Å; A120-R125 VanDerWaalsContact O-NE 3.15Å; A120-R125 PolarHBondContact O-NH2 3.48Å
121P98.1Very high98.1Very high88 Ų8826.4 Ų26.457%0.57117%0.165SC*.THydrogen-bonded Turntrans-65.4-26-168.6-24.235.3000115.6V117 R125V117-P121 VanDerWaalsContact O-CA 3.23Å; V117-P121 WeakPolarHBondContact O-CA 3.23Å; V117-P121 VanDerWaalsContact O-N 3.14Å; P121-R125 PolarHBondContact O-NH2 3.1Å
122S97.8Very high98Very high109 Ų10926.1 Ų26.176%0.76216%0.163SC*.THydrogen-bonded Turntrans-99-7.9-179.3-59.20000114.1E97 A120E97-S122 VanDerWaalsContact OE2-C 3.26Å; E97-S122 WeakPolarHBondContact OE2-CA 3.31Å; E97-S122 WeakPolarHBondContact OE2-CB 3.45Å; E97-S122 PolarHBondContact OE2-N 2.98Å; A120-S122 VanDerWaalsContact C-N 3.32Å; A120-S122 PolarHBondContact O-N 2.97Å
123G97.4Very high97.9Very high6 Ų631.7 Ų31.76%0.06218%0.181CC..  trans-51.2143.2178.400000114.1E97 A120 R125E97-G123 PolarHBondContact OE2-N 3.48Å; A120-G123 PolarHBondContact O-N 2.85Å; G123-R125 PolarHBondContact O-N 3.08Å; G123-R125 PolarHBondContact O-NH1 2.82Å; G123-R125 VanDerWaalsContact O-NH1 3.1Å; G123-R125 PolarHBondContact O-NH2 3.41Å
124Y97.3Very high97.7Very high15 Ų1537 Ų376%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-85.299.8175.8-174.2-137.3000109.8V64 K67 I69 C102 Y103 W126 K151V64-Y124 HydrophobicContact CB-CE1 4.34Å; V64-Y124 PolarHBondContact O-OH 3.16Å; K67-Y124 HydrophobicContact CB-CD1 4.38Å; K67-Y124 HydrophobicContact CB-CD2 4.29Å; K67-Y124 HydrophobicContact CB-CE1 3.84Å; K67-Y124 HydrophobicContact CB-CE2 3.75Å; K67-Y124 HydrophobicContact CG-CD1 4.02Å; K67-Y124 HydrophobicContact CG-CD2 3.86Å; K67-Y124 HydrophobicContact CG-CE1 4Å; K67-Y124 HydrophobicContact CG-CE2 3.85Å; K67-Y124 HydrophobicContact CG-CG 3.96Å; I69-Y124 HydrophobicContact CG2-CD1 3.87Å; I69-Y124 HydrophobicContact CG2-CE1 4.22Å; C102-Y124 CarbonylContact C-O 3.55Å; C102-Y124 VanDerWaalsContact CA-O 3.32Å; C102-Y124 WeakPolarHBondContact CA-O 3.49Å; C102-Y124 HydrophobicContact CB-CD1 3.69Å; C102-Y124 HydrophobicContact CB-CE1 4.01Å; Y103-Y124 PolarHBondContact N-O 2.88Å; Y124-W126 AromaticContact CE1-NE1 3.96Å; Y124-W126 AromaticContact CE2-NE1 3.65Å; Y124-W126 AromaticContact CZ-NE1 3.35Å; Y124-W126 VanDerWaalsContact CZ-NE1 3.35Å; Y124-W126 PolarHBondContact OH-NE1 2.74Å; Y124-K151 HydrophobicContact CD2-CB 4.14Å; Y124-K151 HydrophobicContact CD2-CG 3.75Å; Y124-K151 HydrophobicContact CE2-CB 3.56Å; Y124-K151 HydrophobicContact CE2-CG 3.61Å
125R97.3Very high97.6Very high8 Ų836.2 Ų36.23%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-119.9135.7-169.1-65.8165.4-105.976.12.4113.3Y103 A120 P121 G123 Y150 K151Y103-R125 CarbonylContact O-C 3.46Å; Y103-R125 VanDerWaalsContact O-CA 3.27Å; Y103-R125 WeakPolarHBondContact O-CA 3.25Å; A120-R125 VanDerWaalsContact O-CZ 3.29Å; A120-R125 PolarHBondContact O-NE 2.97Å; A120-R125 VanDerWaalsContact O-NE 3.15Å; A120-R125 PolarHBondContact O-NH2 3.48Å; P121-R125 PolarHBondContact O-NH2 3.1Å; G123-R125 PolarHBondContact O-N 3.08Å; G123-R125 PolarHBondContact O-NH1 2.82Å; G123-R125 VanDerWaalsContact O-NH1 3.1Å; G123-R125 PolarHBondContact O-NH2 3.41Å; R125-Y150 HydrophobicContact CB-CD1 3.82Å; R125-Y150 HydrophobicContact CB-CE1 3.75Å; R125-K151 PolarHBondContact O-N 3.13Å
126W97.8Very high97.5Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8157.1169.3-63.60.3000109.5V64 Q65 Y103 I104 T105 Y124 Y150 A152 V154 I225 E275V64-W126 HydrophobicContact CG1-CH2 3.66Å; V64-W126 HydrophobicContact CG1-CZ2 3.57Å; Q65-W126 HydrophobicContact CB-CH2 4.38Å; Q65-W126 HydrophobicContact CB-CZ2 3.81Å; Q65-W126 HydrophobicContact CG-CH2 3.54Å; Q65-W126 HydrophobicContact CG-CZ2 3.44Å; Q65-W126 VanDerWaalsContact CG-CZ2 3.44Å; Y103-W126 PolarHBondContact O-N 3.28Å; I104-W126 CarbonylContact C-O 3.52Å; I104-W126 WeakPolarHBondContact CA-O 3.16Å; I104-W126 HydrophobicContact CD1-CE3 4.42Å; I104-W126 HydrophobicContact CG1-CB 4.15Å; I104-W126 HydrophobicContact CG1-CE3 4.34Å; I104-W126 HydrophobicContact CG2-CB 4.36Å; T105-W126 PolarHBondContact N-O 3.03Å; T105-W126 PolarHBondContact OG1-O 2.83Å; Y124-W126 AromaticContact CE1-NE1 3.96Å; Y124-W126 AromaticContact CE2-NE1 3.65Å; Y124-W126 AromaticContact CZ-NE1 3.35Å; Y124-W126 VanDerWaalsContact CZ-NE1 3.35Å; Y124-W126 PolarHBondContact OH-NE1 2.74Å; W126-Y150 VanDerWaalsContact C-CD1 3.43Å; W126-Y150 WeakPolarHBondContact O-CE1 3.49Å; W126-A152 WeakPolarHBondContact CA-O 3.41Å; W126-A152 HydrophobicContact CB-CB 4.34Å; W126-A152 HydrophobicContact CD2-CB 3.62Å; W126-A152 HydrophobicContact CE3-CB 4.03Å; W126-A152 HydrophobicContact CG-CB 3.73Å; W126-A152 HydrophobicContact CZ2-CB 4.3Å; W126-A152 HydrophobicContact CZ3-CB 4.4Å; W126-V154 HydrophobicContact CB-CG2 4.21Å; W126-V154 HydrophobicContact CE3-CG2 3.66Å; W126-V154 HydrophobicContact CZ3-CG2 4.4Å; W126-I225 HydrophobicContact CE3-CG1 4.23Å; W126-I225 HydrophobicContact CH2-CD1 4.25Å; W126-I225 HydrophobicContact CH2-CG1 4.16Å; W126-I225 HydrophobicContact CZ3-CB 4.39Å; W126-I225 HydrophobicContact CZ3-CD1 4.19Å; W126-I225 HydrophobicContact CZ3-CG1 3.63Å; W126-I225 HydrophobicContact CZ3-CG2 4.31Å; W126-E275 WeakPolarHBondContact CH2-OE1 3.49Å; W126-E275 HydrophobicContact CZ3-CG 4.43Å; W126-E275 WeakPolarHBondContact CZ3-OE1 3.18Å; W126-E275 WeakPolarHBondContact CZ3-OE2 3.43Å
127F98.7Very high97.4Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-116.3119.8-178.1-176.4-102.5000110.3T105 T107 V113 L129 L141 V145 Y150 A152 L153 V154T105-F127 VanDerWaalsContact OG1-CD2 3.29Å; T105-F127 WeakPolarHBondContact OG1-CD2 3.31Å; T107-F127 HydrophobicContact CG2-CZ 4.45Å; V113-F127 HydrophobicContact CG1-CD2 3.85Å; V113-F127 HydrophobicContact CG1-CE2 3.59Å; F127-L129 HydrophobicContact CD1-CB 4.35Å; F127-L129 HydrophobicContact CE1-CB 4.37Å; F127-L129 HydrophobicContact CE1-CD1 4.09Å; F127-L141 HydrophobicContact CE1-CB 4.24Å; F127-L141 HydrophobicContact CZ-CB 4.49Å; F127-L141 HydrophobicContact CZ-CD1 4.48Å; F127-L141 HydrophobicContact CZ-CD2 4.38Å; F127-V145 HydrophobicContact CB-CB 4.14Å; F127-V145 HydrophobicContact CB-CG1 4.1Å; F127-V145 HydrophobicContact CB-CG2 3.98Å; F127-V145 HydrophobicContact CD1-CG1 4.03Å; F127-V145 HydrophobicContact CD1-CG2 4.07Å; F127-V145 HydrophobicContact CD2-CG1 3.61Å; F127-V145 HydrophobicContact CE1-CG1 4.35Å; F127-V145 HydrophobicContact CE2-CG1 4Å; F127-V145 HydrophobicContact CG-CB 4.19Å; F127-V145 HydrophobicContact CG-CG1 3.65Å; F127-V145 HydrophobicContact CG-CG2 4.08Å; F127-V145 HydrophobicContact CZ-CG1 4.34Å; F127-Y150 HydrophobicContact CB-CD1 3.72Å; F127-Y150 HydrophobicContact CB-CE1 3.97Å; F127-Y150 HydrophobicContact CB-CG 4.35Å; F127-Y150 HydrophobicContact CD2-CE1 4.36Å; F127-A152 PolarHBondContact N-O 2.8Å; F127-L153 HydrophobicContact CB-CD2 4.35Å; F127-L153 HydrophobicContact CD1-CD2 4.18Å; F127-L153 CarbonylContact O-C 3.39Å; F127-L153 WeakPolarHBondContact O-CA 3.48Å; F127-V154 PolarHBondContact O-N 3.35Å
128Q98.1Very high97.3Very high3 Ų338 Ų381%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-75.9128.4170.1178-84.3-41.100109.9P77 I104 T105 S106 T107 Y130 V154 T156P77-Q128 HydrophobicContact CB-CB 3.39Å; P77-Q128 HydrophobicContact CB-CG 3.77Å; P77-Q128 HydrophobicContact CG-CB 3.67Å; P77-Q128 HydrophobicContact CG-CG 3.7Å; I104-Q128 HydrophobicContact CG2-CB 3.84Å; T105-Q128 WeakPolarHBondContact O-CB 3.35Å; T105-Q128 PolarHBondContact O-N 3.4Å; S106-Q128 PolarHBondContact OG-OE1 3.32Å; T107-Q128 PolarHBondContact N-O 3.26Å; T107-Q128 VanDerWaalsContact N-OE1 3.11Å; T107-Q128 PolarHBondContact OG1-O 2.68Å; Q128-Y130 VanDerWaalsContact NE2-CD2 3.29Å; Q128-Y130 VanDerWaalsContact NE2-CE2 3.28Å; Q128-V154 CarbonylContact C-O 3.46Å; Q128-V154 VanDerWaalsContact CA-O 3.3Å; Q128-V154 WeakPolarHBondContact CA-O 3.32Å; Q128-V154 HydrophobicContact CB-CB 4.29Å; Q128-T156 VanDerWaalsContact CG-OG1 3.22Å; Q128-T156 WeakPolarHBondContact CG-OG1 3.24Å; Q128-T156 PolarHBondContact NE2-OG1 3.26Å
129L98.4Very high97.3Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-116.4136.5-178.4-178.267.6000110.6T107 F127 L141 V142 V154 T156 L216T107-L129 WeakPolarHBondContact OG1-CA 3.17Å; F127-L129 HydrophobicContact CD1-CB 4.35Å; F127-L129 HydrophobicContact CE1-CB 4.37Å; F127-L129 HydrophobicContact CE1-CD1 4.09Å; L129-L141 HydrophobicContact CD1-CB 4.4Å; L129-L141 HydrophobicContact CD1-CD1 4.41Å; L129-V142 HydrophobicContact CD1-CG2 4.41Å; L129-V142 HydrophobicContact CD2-CG2 3.63Å; L129-V154 PolarHBondContact N-O 3.28Å; L129-T156 PolarHBondContact O-N 2.8Å; L129-L216 HydrophobicContact CD2-CD1 3.81Å; L129-L216 HydrophobicContact CD2-CD2 4.31Å
130Y97.8Very high97.3Very high24 Ų2440.5 Ų40.59%0.09420%0.2CC..PPolyproline II helixtrans-103.5153156.5-70.4-65.9000110.3Y108 Q128 Y132 T156 V159 L204 H251Y108-Y130 AromaticContact CD2-CD2 4Å; Y108-Y130 HydrophobicContact CD2-CD2 4Å; Y108-Y130 AromaticContact CD2-CE2 3.97Å; Y108-Y130 HydrophobicContact CD2-CE2 3.97Å; Y108-Y130 AromaticContact CE2-CD2 3.66Å; Y108-Y130 HydrophobicContact CE2-CD2 3.66Å; Y108-Y130 AromaticContact CE2-CE2 3.86Å; Y108-Y130 HydrophobicContact CE2-CE2 3.86Å; Q128-Y130 VanDerWaalsContact NE2-CD2 3.29Å; Q128-Y130 VanDerWaalsContact NE2-CE2 3.28Å; Y130-Y132 WeakPolarHBondContact O-CD2 3.14Å; Y130-Y132 WeakPolarHBondContact O-CE2 3.33Å; Y130-T156 HydrophobicContact CD1-CG2 4.31Å; Y130-T156 HydrophobicContact CE1-CG2 3.53Å; Y130-V159 HydrophobicContact CD1-CB 4.49Å; Y130-V159 HydrophobicContact CE1-CB 3.73Å; Y130-V159 HydrophobicContact CE1-CG1 4.33Å; Y130-V159 HydrophobicContact CE1-CG2 3.71Å; Y130-L204 HydrophobicContact CD1-CD2 4.39Å; Y130-L204 HydrophobicContact CD2-CD2 4.48Å; Y130-L204 HydrophobicContact CG-CD2 3.94Å; Y130-H251 PolarHBondContact OH-CE1 3.14Å; Y130-H251 VanDerWaalsContact OH-CE1 3.29Å
131V96.9Very high97.3Very high9 Ų940.7 Ų40.76%0.05520%0.201CC..PPolyproline II helixtrans-96.8123.6173.2175.60000109.3L155 D205 I208 W215V131-L155 HydrophobicContact CG2-CD1 3.68Å; V131-D205 HydrophobicContact CG1-CB 4.32Å; V131-D205 PolarHBondContact O-N 3.06Å; V131-I208 HydrophobicContact CB-CG2 3.75Å; V131-I208 HydrophobicContact CG1-CG2 3.54Å; V131-I208 HydrophobicContact CG2-CG2 4.4Å; V131-W215 HydrophobicContact CG1-CZ3 4.39Å; V131-W215 HydrophobicContact CG2-CZ3 4.13Å
132Y96.4Very high97.3Very high0 Ų036.5 Ų36.50%017%0.173CC..BIsolated β-bridgetrans-97.8153-178.5-63.8-88.1000110.8T107 Y108 Y130 E134 R135 S138 L141 F184 I199 T203 L204T107-Y132 HydrophobicContact CG2-CE2 4.1Å; T107-Y132 WeakPolarHBondContact CG2-OH 3.4Å; Y108-Y132 WeakPolarHBondContact CE2-OH 3.49Å; Y130-Y132 WeakPolarHBondContact O-CD2 3.14Å; Y130-Y132 WeakPolarHBondContact O-CE2 3.33Å; Y132-E134 CarbonylContact O-C 3.51Å; Y132-E134 PolarHBondContact O-N 3.48Å; Y132-R135 WeakPolarHBondContact O-CD 3.48Å; Y132-S138 PolarHBondContact N-OG 3.21Å; Y132-L141 HydrophobicContact CE2-CD1 4.35Å; Y132-F184 HydrophobicContact CD2-CZ 4.42Å; Y132-F184 HydrophobicContact CE1-CE2 4.44Å; Y132-F184 HydrophobicContact CE1-CZ 4.04Å; Y132-F184 HydrophobicContact CE2-CE1 4.36Å; Y132-F184 AromaticContact CE2-CZ 3.61Å; Y132-F184 HydrophobicContact CE2-CZ 3.61Å; Y132-F184 AromaticContact CZ-CE2 3.9Å; Y132-F184 AromaticContact CZ-CZ 3.39Å; Y132-F184 WeakPolarHBondContact OH-CE2 3.49Å; Y132-F184 VanDerWaalsContact OH-CZ 3.31Å; Y132-F184 WeakPolarHBondContact OH-CZ 3.49Å; Y132-I199 HydrophobicContact CE1-CD1 3.95Å; Y132-T203 WeakPolarHBondContact CA-O 3.22Å; Y132-L204 HydrophobicContact CD1-CD2 4Å; Y132-L204 HydrophobicContact CE1-CD2 3.66Å
133R95.6Very high97.4Very high134 Ų13435.2 Ų35.251%0.50616%0.155SC..SBendtrans-54.6-44.7176.8-69-179.1-179.9-96.1-0.4111R135 N202 T203 L204 D205R133-R135 PolarHBondContact O-N 2.99Å; R133-R135 VanDerWaalsContact O-N 3.15Å; R133-N202 WeakPolarHBondContact CD-O 3.42Å; R133-N202 PolarHBondContact NE-O 3.3Å; R133-T203 PolarHBondContact N-O 3.19Å; R133-L204 WeakPolarHBondContact CG-O 3.05Å; R133-L204 PolarHBondContact NE-O 3.34Å; R133-D205 HydrophobicContact CG-CB 4.13Å
134E94.8Very high97.4Very high112 Ų11238.6 Ų38.652%0.52317%0.166SC..SBendtrans-78.593.9167.4-173.9173.6-167.800109.4Y132 K136 L137Y132-E134 CarbonylContact O-C 3.51Å; Y132-E134 PolarHBondContact O-N 3.48Å; E134-K136 HydrophobicContact CG-CB 4.19Å; E134-K136 PolarHBondContact O-N 3.1Å; E134-K136 VanDerWaalsContact O-N 3.1Å; E134-L137 HydrophobicContact CB-CD1 4.05Å; E134-L137 HydrophobicContact CB-CG 4Å; E134-L137 HydrophobicContact CG-CG 4.03Å; E134-L137 WeakPolarHBondContact O-CB 2.99Å; E134-L137 PolarHBondContact O-N 3.27Å
135R96.5Very high97.5Very high53 Ų5337.9 Ų37.920%0.216%0.163CC..Hα-helixtrans-57.7-27.6-176.7-65.7-61.1177.51213.3113.8Y132 R133 L137 S138 E139 D205 D212 W215Y132-R135 WeakPolarHBondContact O-CD 3.48Å; R133-R135 PolarHBondContact O-N 2.99Å; R133-R135 VanDerWaalsContact O-N 3.15Å; R135-L137 PolarHBondContact O-N 3.06Å; R135-S138 WeakPolarHBondContact O-CB 3.1Å; R135-S138 PolarHBondContact O-N 3.12Å; R135-S138 VanDerWaalsContact O-N 3.08Å; R135-E139 PolarHBondContact O-N 3.32Å; R135-D205 IonicContact CZ-OD2 2.91Å; R135-D205 IonicContact NE-OD2 3.54Å; R135-D205 PolarHBondContact NE-OD2 3.02Å; R135-D205 IonicContact NH2-OD2 2.76Å; R135-D205 PolarHBondContact NH2-OD2 3.06Å; R135-D212 IonicContact CZ-OD1 3.3Å; R135-D212 IonicContact NH1-OD1 3.31Å; R135-D212 PolarHBondContact NH1-OD1 3.08Å; R135-D212 IonicContact NH2-OD1 3.87Å; R135-D212 PolarHBondContact NH2-OD1 2.86Å; R135-W215 HydrophobicContact CB-CZ2 4.04Å
136K96.2Very high97.5Very high123 Ų12340 Ų4054%0.53517%0.174SC..Hα-helixtrans-58.7-34.4175.2-167.5176.2-179.2-1770112.7E134 S138 E139 Q140E134-K136 HydrophobicContact CG-CB 4.19Å; E134-K136 PolarHBondContact O-N 3.1Å; E134-K136 VanDerWaalsContact O-N 3.1Å; K136-S138 VanDerWaalsContact C-N 3.35Å; K136-E139 PolarHBondContact O-N 3.49Å; K136-Q140 HydrophobicContact CG-CG 4.45Å; K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 VanDerWaalsContact O-CG 3.23Å; K136-Q140 WeakPolarHBondContact O-CG 3.29Å; K136-Q140 PolarHBondContact O-N 2.73Å
137L95.8Very high97.6Very high10 Ų1044.3 Ų44.35%0.05221%0.209CC..Hα-helixtrans-63.5-43.7175.1-61.4-177.6000111.5E134 R135 L141 V187 F188E134-L137 HydrophobicContact CB-CD1 4.05Å; E134-L137 HydrophobicContact CB-CG 4Å; E134-L137 HydrophobicContact CG-CG 4.03Å; E134-L137 WeakPolarHBondContact O-CB 2.99Å; E134-L137 PolarHBondContact O-N 3.27Å; R135-L137 PolarHBondContact O-N 3.06Å; L137-L141 WeakPolarHBondContact O-CG 3.46Å; L137-L141 PolarHBondContact O-N 2.65Å; L137-V187 HydrophobicContact CD2-CG1 3.35Å; L137-F188 HydrophobicContact CD1-CE1 3.81Å; L137-F188 HydrophobicContact CD1-CZ 3.99Å
138S97.8Very high97.5Very high0 Ų046.7 Ų46.70%022%0.222CC..Hα-helixtrans-66.4-43.8178.4-51.30000110.5Y132 R135 K136 L141 V142Y132-S138 PolarHBondContact N-OG 3.21Å; R135-S138 WeakPolarHBondContact O-CB 3.1Å; R135-S138 PolarHBondContact O-N 3.12Å; R135-S138 VanDerWaalsContact O-N 3.08Å; K136-S138 VanDerWaalsContact C-N 3.35Å; S138-L141 PolarHBondContact O-N 2.68Å; S138-V142 VanDerWaalsContact O-CG2 3.3Å; S138-V142 WeakPolarHBondContact O-CG2 3.38Å; S138-V142 PolarHBondContact O-N 3.24Å
139E98.3Very high97.5Very high71 Ų7147.8 Ų47.833%0.33223%0.234SC..Hα-helixtrans-61.9-45.1177.7-177.4-179175.600112.3R135 K136 L141 V142 H143 I219R135-E139 PolarHBondContact O-N 3.32Å; K136-E139 PolarHBondContact O-N 3.49Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.78Å; E139-V142 PolarHBondContact O-N 3.15Å; E139-H143 VanDerWaalsContact CG-NE2 3.27Å; E139-H143 WeakPolarHBondContact CG-NE2 3.3Å; E139-H143 PolarHBondContact O-CD2 3.41Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 2.89Å; E139-H143 IonicContact OE1-CD2 2.74Å; E139-H143 IonicContact OE1-NE2 3.53Å; E139-H143 PolarHBondContact OE1-NE2 3.22Å; E139-H143 VanDerWaalsContact OE1-NE2 3.17Å; E139-I219 HydrophobicContact CB-CD1 4.12Å; E139-I219 HydrophobicContact CG-CD1 4.15Å
140Q97.8Very high97.5Very high86 Ų8647.9 Ų47.940%0.40223%0.234SC..Hα-helixtrans-61.1-42177-76.2172.2-13.300112.2K136 R144K136-Q140 HydrophobicContact CG-CG 4.45Å; K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 VanDerWaalsContact O-CG 3.23Å; K136-Q140 WeakPolarHBondContact O-CG 3.29Å; K136-Q140 PolarHBondContact O-N 2.73Å; Q140-R144 WeakPolarHBondContact O-CB 3.3Å; Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.05Å
141L98.4Very high97.5Very high3 Ų351.9 Ų51.92%0.01625%0.252CS..Hα-helixtrans-62.6-45.1175.6-72.5172.5000111.6T107 F127 L129 Y132 L137 S138 E139 R144 V145 N183 F184T107-L141 HydrophobicContact CG2-CD1 3.84Å; F127-L141 HydrophobicContact CE1-CB 4.24Å; F127-L141 HydrophobicContact CZ-CB 4.49Å; F127-L141 HydrophobicContact CZ-CD1 4.48Å; F127-L141 HydrophobicContact CZ-CD2 4.38Å; L129-L141 HydrophobicContact CD1-CB 4.4Å; L129-L141 HydrophobicContact CD1-CD1 4.41Å; Y132-L141 HydrophobicContact CE2-CD1 4.35Å; L137-L141 WeakPolarHBondContact O-CG 3.46Å; L137-L141 PolarHBondContact O-N 2.65Å; S138-L141 PolarHBondContact O-N 2.68Å; E139-L141 VanDerWaalsContact C-N 3.34Å; E139-L141 PolarHBondContact O-N 2.78Å; L141-R144 PolarHBondContact O-N 2.89Å; L141-V145 WeakPolarHBondContact O-CG1 3.21Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 2.72Å; L141-N183 HydrophobicContact CD2-CB 3.98Å; L141-F184 HydrophobicContact CD1-CE1 3.72Å; L141-F184 HydrophobicContact CD1-CZ 3.65Å; L141-F184 HydrophobicContact CG-CE1 4.4Å
142V98.8Very high97.5Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-57.3-52177.6165.50000111.2L129 S138 E139 R144 V145 E146 L153 L216 I219 T220L129-V142 HydrophobicContact CD1-CG2 4.41Å; L129-V142 HydrophobicContact CD2-CG2 3.63Å; S138-V142 VanDerWaalsContact O-CG2 3.3Å; S138-V142 WeakPolarHBondContact O-CG2 3.38Å; S138-V142 PolarHBondContact O-N 3.24Å; E139-V142 PolarHBondContact O-N 3.15Å; V142-R144 VanDerWaalsContact C-N 3.33Å; V142-R144 PolarHBondContact O-N 3.25Å; V142-V145 WeakPolarHBondContact O-CG2 3.32Å; V142-V145 PolarHBondContact O-N 2.95Å; V142-E146 WeakPolarHBondContact O-CB 3.41Å; V142-E146 PolarHBondContact O-N 2.87Å; V142-L153 HydrophobicContact CG1-CD1 4.07Å; V142-L153 HydrophobicContact CG2-CD1 3.94Å; V142-L153 HydrophobicContact CG2-CD2 4.31Å; V142-L216 HydrophobicContact CG2-CD1 3.94Å; V142-I219 HydrophobicContact CB-CD1 4.31Å; V142-I219 HydrophobicContact CG1-CD1 4.23Å; V142-I219 HydrophobicContact CG1-CG1 4.36Å; V142-I219 HydrophobicContact CG2-CD1 4.29Å; V142-T220 HydrophobicContact CG1-CG2 4.43Å
143H98.6Very high97.6Very high83 Ų8351.4 Ų51.438%0.38425%0.249SC..Hα-helixtrans-62.1-40.3178.9-68.3-41.1000112.2E139 A147 I219E139-H143 VanDerWaalsContact CG-NE2 3.27Å; E139-H143 WeakPolarHBondContact CG-NE2 3.3Å; E139-H143 PolarHBondContact O-CD2 3.41Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 2.89Å; E139-H143 IonicContact OE1-CD2 2.74Å; E139-H143 IonicContact OE1-NE2 3.53Å; E139-H143 PolarHBondContact OE1-NE2 3.22Å; E139-H143 VanDerWaalsContact OE1-NE2 3.17Å; H143-A147 VanDerWaalsContact O-CB 3.31Å; H143-A147 WeakPolarHBondContact O-CB 3.48Å; H143-A147 PolarHBondContact O-N 3.2Å; H143-I219 PolarHBondContact CE1-O 3.01Å
144R98.2Very high97.6Very high76 Ų7645 Ų4529%0.28723%0.225SC..Hα-helixtrans-60.2-49.7177-78.4171.867.7-168.62.1111.7E114 Q140 L141 V142 A147 L148 N183E114-R144 VanDerWaalsContact CD-NH2 3.27Å; E114-R144 IonicContact OE1-CZ 3.84Å; E114-R144 IonicContact OE1-NE 2.71Å; E114-R144 PolarHBondContact OE1-NE 3.43Å; E114-R144 IonicContact OE1-NH2 2.91Å; E114-R144 PolarHBondContact OE1-NH2 2.67Å; E114-R144 IonicContact OE2-NH2 3.44Å; E114-R144 PolarHBondContact OE2-NH2 2.86Å; Q140-R144 WeakPolarHBondContact O-CB 3.3Å; Q140-R144 WeakPolarHBondContact O-CG 3.19Å; Q140-R144 PolarHBondContact O-N 3.05Å; L141-R144 PolarHBondContact O-N 2.89Å; V142-R144 VanDerWaalsContact C-N 3.33Å; V142-R144 PolarHBondContact O-N 3.25Å; R144-A147 PolarHBondContact O-N 3.45Å; R144-L148 WeakPolarHBondContact O-CB 3.34Å; R144-L148 VanDerWaalsContact O-CG 3.28Å; R144-L148 WeakPolarHBondContact O-CG 3.31Å; R144-L148 PolarHBondContact O-N 3.31Å; R144-N183 PolarHBondContact NH1-O 2.87Å
145V98.6Very high97.7Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-73.2-33.4-176.1-59.60000112.2V113 F127 L141 V142 L148 G149 Y150 L153 L222V113-V145 HydrophobicContact CB-CG1 4.22Å; V113-V145 HydrophobicContact CG1-CG1 3.83Å; V113-V145 HydrophobicContact CG2-CG1 4.22Å; F127-V145 HydrophobicContact CB-CB 4.14Å; F127-V145 HydrophobicContact CB-CG1 4.1Å; F127-V145 HydrophobicContact CB-CG2 3.98Å; F127-V145 HydrophobicContact CD1-CG1 4.03Å; F127-V145 HydrophobicContact CD1-CG2 4.07Å; F127-V145 HydrophobicContact CD2-CG1 3.61Å; F127-V145 HydrophobicContact CE1-CG1 4.35Å; F127-V145 HydrophobicContact CE2-CG1 4Å; F127-V145 HydrophobicContact CG-CB 4.19Å; F127-V145 HydrophobicContact CG-CG1 3.65Å; F127-V145 HydrophobicContact CG-CG2 4.08Å; F127-V145 HydrophobicContact CZ-CG1 4.34Å; L141-V145 WeakPolarHBondContact O-CG1 3.21Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 2.72Å; V142-V145 WeakPolarHBondContact O-CG2 3.32Å; V142-V145 PolarHBondContact O-N 2.95Å; V145-L148 PolarHBondContact O-N 2.97Å; V145-G149 PolarHBondContact O-N 2.83Å; V145-Y150 HydrophobicContact CB-CD2 3.68Å; V145-Y150 HydrophobicContact CB-CE2 4.19Å; V145-Y150 HydrophobicContact CB-CG 3.86Å; V145-Y150 HydrophobicContact CG1-CD2 4.21Å; V145-Y150 HydrophobicContact CG1-CE2 4.22Å; V145-Y150 WeakPolarHBondContact O-CB 3.08Å; V145-Y150 VanDerWaalsContact O-CD2 3.29Å; V145-Y150 WeakPolarHBondContact O-CD2 3.43Å; V145-Y150 PolarHBondContact O-N 3.11Å; V145-Y150 VanDerWaalsContact O-N 3.09Å; V145-L153 HydrophobicContact CG2-CD2 3.81Å; V145-L222 HydrophobicContact CG2-CD1 4.42Å
146E98.5Very high97.7Very high53 Ų5337.7 Ų37.725%0.24819%0.194CC..Hα-helixtrans-63.1-45.3172.4-173164.6179.500111.2V142 L148 G149 T220 R221 L222V142-E146 WeakPolarHBondContact O-CB 3.41Å; V142-E146 PolarHBondContact O-N 2.87Å; E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 2.92Å; E146-G149 PolarHBondContact O-N 3.1Å; E146-T220 WeakPolarHBondContact OE2-CA 3.25Å; E146-T220 WeakPolarHBondContact OE2-CB 3.23Å; E146-T220 PolarHBondContact OE2-OG1 2.89Å; E146-R221 WeakPolarHBondContact OE1-CB 3.19Å; E146-R221 PolarHBondContact OE1-N 3.29Å; E146-R221 PolarHBondContact OE2-N 3.37Å; E146-L222 HydrophobicContact CB-CD1 3.95Å; E146-L222 HydrophobicContact CB-CG 4.19Å; E146-L222 HydrophobicContact CG-CD1 4.31Å; E146-L222 HydrophobicContact CG-CD2 4.3Å; E146-L222 HydrophobicContact CG-CG 3.99Å
147A98.5Very high97.7Very high91 Ų9134.2 Ų34.275%0.75218%0.182SC*.Hα-helixtrans-62.7-33175.700000113.1H143 R144 G149H143-A147 VanDerWaalsContact O-CB 3.31Å; H143-A147 WeakPolarHBondContact O-CB 3.48Å; H143-A147 PolarHBondContact O-N 3.2Å; R144-A147 PolarHBondContact O-N 3.45Å; A147-G149 PolarHBondContact O-N 3Å
148L98.6Very high97.7Very high50 Ų5035.1 Ų35.126%0.26219%0.187SC..THydrogen-bonded Turntrans-80.52.7175.7-69.5169.5000113.7V113 E114 V117 R144 V145 E146 Y150V113-L148 HydrophobicContact CB-CD1 3.9Å; V113-L148 HydrophobicContact CG2-CD1 3.54Å; E114-L148 HydrophobicContact CG-CD1 3.97Å; E114-L148 HydrophobicContact CG-CD2 4.34Å; V117-L148 HydrophobicContact CG2-CB 4.22Å; R144-L148 WeakPolarHBondContact O-CB 3.34Å; R144-L148 VanDerWaalsContact O-CG 3.28Å; R144-L148 WeakPolarHBondContact O-CG 3.31Å; R144-L148 PolarHBondContact O-N 3.31Å; V145-L148 PolarHBondContact O-N 2.97Å; E146-L148 VanDerWaalsContact C-N 3.28Å; E146-L148 PolarHBondContact O-N 2.92Å; L148-Y150 HydrophobicContact CB-CD2 4.09Å; L148-Y150 HydrophobicContact CB-CE2 4.25Å
149G98Very high97.5Very high25 Ų2535.6 Ų35.626%0.25819%0.19SC..THydrogen-bonded Turntrans78.221.8171.800000114.9V145 E146 A147 K151V145-G149 PolarHBondContact O-N 2.83Å; E146-G149 PolarHBondContact O-N 3.1Å; A147-G149 PolarHBondContact O-N 3Å; G149-K151 WeakPolarHBondContact O-CD 3.16Å; G149-K151 VanDerWaalsContact O-CE 3.3Å; G149-K151 WeakPolarHBondContact O-CE 3.48Å; G149-K151 PolarHBondContact O-NZ 2.8Å
150Y98.6Very high97.3Very high3 Ų334.8 Ų34.81%0.01219%0.191CC..  trans-55.2152.8165.5-80.1-104.8000110.8T105 V113 V117 R125 W126 F127 V145 L148 L222T105-Y150 HydrophobicContact CG2-CE1 4Å; T105-Y150 VanDerWaalsContact OG1-CE1 3.25Å; T105-Y150 WeakPolarHBondContact OG1-CE1 3.19Å; T105-Y150 PolarHBondContact OG1-OH 2.67Å; V113-Y150 HydrophobicContact CB-CE2 4.12Å; V113-Y150 HydrophobicContact CG1-CE2 4.4Å; V117-Y150 HydrophobicContact CG2-CD2 4.36Å; V117-Y150 HydrophobicContact CG2-CE2 3.64Å; R125-Y150 HydrophobicContact CB-CD1 3.82Å; R125-Y150 HydrophobicContact CB-CE1 3.75Å; W126-Y150 VanDerWaalsContact C-CD1 3.43Å; W126-Y150 WeakPolarHBondContact O-CE1 3.49Å; F127-Y150 HydrophobicContact CB-CD1 3.72Å; F127-Y150 HydrophobicContact CB-CE1 3.97Å; F127-Y150 HydrophobicContact CB-CG 4.35Å; F127-Y150 HydrophobicContact CD2-CE1 4.36Å; V145-Y150 HydrophobicContact CB-CD2 3.68Å; V145-Y150 HydrophobicContact CB-CE2 4.19Å; V145-Y150 HydrophobicContact CB-CG 3.86Å; V145-Y150 HydrophobicContact CG1-CD2 4.21Å; V145-Y150 HydrophobicContact CG1-CE2 4.22Å; V145-Y150 WeakPolarHBondContact O-CB 3.08Å; V145-Y150 VanDerWaalsContact O-CD2 3.29Å; V145-Y150 WeakPolarHBondContact O-CD2 3.43Å; V145-Y150 PolarHBondContact O-N 3.11Å; V145-Y150 VanDerWaalsContact O-N 3.09Å; L148-Y150 HydrophobicContact CB-CD2 4.09Å; L148-Y150 HydrophobicContact CB-CE2 4.25Å; Y150-L222 WeakPolarHBondContact O-CD2 3.16Å
151K97.2Very high97.1Very high107 Ų10737.9 Ų37.947%0.46520%0.2SC..  trans-106.5-12.4-168.5-56.5-56.5-175.4-1440115.1Y124 R125 G149 P223Y124-K151 HydrophobicContact CD2-CB 4.14Å; Y124-K151 HydrophobicContact CD2-CG 3.75Å; Y124-K151 HydrophobicContact CE2-CB 3.56Å; Y124-K151 HydrophobicContact CE2-CG 3.61Å; R125-K151 PolarHBondContact O-N 3.13Å; G149-K151 WeakPolarHBondContact O-CD 3.16Å; G149-K151 VanDerWaalsContact O-CE 3.3Å; G149-K151 WeakPolarHBondContact O-CE 3.48Å; G149-K151 PolarHBondContact O-NZ 2.8Å; K151-P223 WeakPolarHBondContact O-CD 3.22Å
152A96.3Very high96.9Very high0 Ų039.8 Ų39.80%021%0.212CC..  trans-162.515917300000111W126 F127 P223 I225W126-A152 WeakPolarHBondContact CA-O 3.41Å; W126-A152 HydrophobicContact CB-CB 4.34Å; W126-A152 HydrophobicContact CD2-CB 3.62Å; W126-A152 HydrophobicContact CE3-CB 4.03Å; W126-A152 HydrophobicContact CG-CB 3.73Å; W126-A152 HydrophobicContact CZ2-CB 4.3Å; W126-A152 HydrophobicContact CZ3-CB 4.4Å; F127-A152 PolarHBondContact N-O 2.8Å; A152-P223 WeakPolarHBondContact CA-O 3.25Å; A152-P223 HydrophobicContact CB-CB 4.29Å; A152-P223 WeakPolarHBondContact CB-O 3.29Å; A152-I225 HydrophobicContact CB-CG1 4.07Å
153L98.1Very high96.6Very high0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-101.8128.7167.4-66.7172.9000109.6F127 V142 V145 L216 T220 L222 P223 I225F127-L153 HydrophobicContact CB-CD2 4.35Å; F127-L153 HydrophobicContact CD1-CD2 4.18Å; F127-L153 CarbonylContact O-C 3.39Å; F127-L153 WeakPolarHBondContact O-CA 3.48Å; V142-L153 HydrophobicContact CG1-CD1 4.07Å; V142-L153 HydrophobicContact CG2-CD1 3.94Å; V142-L153 HydrophobicContact CG2-CD2 4.31Å; V145-L153 HydrophobicContact CG2-CD2 3.81Å; L153-L216 HydrophobicContact CD1-CD1 4.15Å; L153-T220 HydrophobicContact CD1-CG2 3.6Å; L153-L222 HydrophobicContact CD1-CB 4.41Å; L153-L222 HydrophobicContact CD2-CD1 4.19Å; L153-L222 HydrophobicContact CG-CB 4.11Å; L153-L222 HydrophobicContact CG-CD1 3.99Å; L153-P223 PolarHBondContact N-O 3Å; L153-I225 PolarHBondContact O-N 2.98Å
154V96.2Very high96.5Very high0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-103.890.8175.3179.80000108.3I104 W126 F127 Q128 L129 T156 I225 K227 I247I104-V154 HydrophobicContact CD1-CG2 4.15Å; I104-V154 HydrophobicContact CG1-CG2 4.43Å; I104-V154 HydrophobicContact CG2-CB 4.11Å; I104-V154 HydrophobicContact CG2-CG2 3.82Å; W126-V154 HydrophobicContact CB-CG2 4.21Å; W126-V154 HydrophobicContact CE3-CG2 3.66Å; W126-V154 HydrophobicContact CZ3-CG2 4.4Å; F127-V154 PolarHBondContact O-N 3.35Å; Q128-V154 CarbonylContact C-O 3.46Å; Q128-V154 VanDerWaalsContact CA-O 3.3Å; Q128-V154 WeakPolarHBondContact CA-O 3.32Å; Q128-V154 HydrophobicContact CB-CB 4.29Å; L129-V154 PolarHBondContact N-O 3.28Å; V154-T156 PolarHBondContact O-N 3.4Å; V154-I225 CarbonylContact C-O 3.58Å; V154-I225 WeakPolarHBondContact CA-O 2.83Å; V154-I225 HydrophobicContact CG2-CB 4.26Å; V154-K227 HydrophobicContact CG1-CB 3.66Å; V154-K227 HydrophobicContact CG1-CD 3.69Å; V154-K227 HydrophobicContact CG1-CG 4.33Å; V154-I247 HydrophobicContact CG1-CD1 3.54Å; V154-I247 HydrophobicContact CG1-CG1 4.12Å; V154-I247 HydrophobicContact CG2-CD1 4.25Å
155L97.8Very high96.3Very high7 Ų739.3 Ų39.34%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-74.8115.5179.8175.762.8000109.7V131 V157 I213 L216 I224 I225 I226 K227V131-L155 HydrophobicContact CG2-CD1 3.68Å; L155-V157 HydrophobicContact CD2-CG1 4.14Å; L155-V157 HydrophobicContact CG-CG1 3.94Å; L155-I213 HydrophobicContact CD2-CD1 3.48Å; L155-I213 VanDerWaalsContact CD2-CD1 3.48Å; L155-L216 HydrophobicContact CB-CD2 4.24Å; L155-L216 HydrophobicContact CD1-CD2 4.48Å; L155-L216 HydrophobicContact CD2-CD2 3.99Å; L155-L216 HydrophobicContact CG-CD2 4.47Å; L155-I224 HydrophobicContact CB-CG2 4.42Å; L155-I225 PolarHBondContact N-O 2.87Å; L155-I226 HydrophobicContact CB-CD1 4.09Å; L155-I226 HydrophobicContact CD2-CD1 3.87Å; L155-I226 HydrophobicContact CG-CD1 4.37Å; L155-K227 PolarHBondContact O-N 3.17Å
156T96.4Very high96.3Very high4 Ų442.7 Ų42.73%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-88.6118.9178.3-56.50000110.7Q128 L129 Y130 V154 D158 V159 K227Q128-T156 VanDerWaalsContact CG-OG1 3.22Å; Q128-T156 WeakPolarHBondContact CG-OG1 3.24Å; Q128-T156 PolarHBondContact NE2-OG1 3.26Å; L129-T156 PolarHBondContact O-N 2.8Å; Y130-T156 HydrophobicContact CD1-CG2 4.31Å; Y130-T156 HydrophobicContact CE1-CG2 3.53Å; V154-T156 PolarHBondContact O-N 3.4Å; T156-D158 WeakPolarHBondContact CG2-OD1 2.8Å; T156-V159 HydrophobicContact CG2-CG2 3.95Å; T156-K227 WeakPolarHBondContact CA-O 3.01Å; T156-K227 HydrophobicContact CG2-CD 4.46Å; T156-K227 HydrophobicContact CG2-CG 4.45Å
157V96.3Very high96.1Very high49 Ų4942.6 Ų42.630%0.29723%0.228SC..  trans-111.1-3.6-172.1-59.70000114.1L155 I226 K227L155-V157 HydrophobicContact CD2-CG1 4.14Å; L155-V157 HydrophobicContact CG-CG1 3.94Å; V157-I226 HydrophobicContact CB-CG2 4.45Å; V157-I226 HydrophobicContact CG1-CG2 3.86Å; V157-I226 HydrophobicContact CG2-CG2 3.66Å; V157-K227 WeakPolarHBondContact CG2-O 3.49Å; V157-K227 PolarHBondContact N-O 3.2Å
158D94.4Very high95.9Very high29 Ų2938.6 Ų38.616%0.15519%0.194CC..SBendtrans-95.314.8-178.662.92.4000114.1T156 P160 G228 H251 Q255T156-D158 WeakPolarHBondContact CG2-OD1 2.8Å; D158-P160 VanDerWaalsContact C-CD 3.45Å; D158-G228 WeakPolarHBondContact OD2-CA 3.18Å; D158-H251 IonicContact OD1-CE1 3.54Å; D158-H251 IonicContact OD1-CG 2.72Å; D158-H251 IonicContact OD1-ND1 2.71Å; D158-H251 PolarHBondContact OD1-ND1 2.82Å; D158-H251 WeakPolarHBondContact OD2-CB 3.23Å; D158-H251 IonicContact OD2-CG 3.39Å; D158-H251 PolarHBondContact OD2-N 3.18Å; D158-H251 IonicContact OD2-ND1 3.3Å; D158-H251 PolarHBondContact OD2-ND1 3.11Å; D158-Q255 WeakPolarHBondContact O-CG 3.44Å
159V94.5Very high95.7Very high10 Ų1041 Ų416%0.06121%0.206CC..  trans-130.261.9-179.9-162.70000112.1Y130 T156 L204 H251 Q255Y130-V159 HydrophobicContact CD1-CB 4.49Å; Y130-V159 HydrophobicContact CE1-CB 3.73Å; Y130-V159 HydrophobicContact CE1-CG1 4.33Å; Y130-V159 HydrophobicContact CE1-CG2 3.71Å; T156-V159 HydrophobicContact CG2-CG2 3.95Å; V159-L204 HydrophobicContact CG1-CD1 4.11Å; V159-H251 WeakPolarHBondContact CG2-CE1 3.3Å; V159-H251 WeakPolarHBondContact CG2-ND1 3.34Å; V159-Q255 HydrophobicContact CG2-CG 4.05Å
160P93.7Very high95.7Very high55 Ų5547.9 Ų47.936%0.35722%0.224SC..SBendtrans-66.9-29.2167.129.1-34.1000111.4D158 P206D158-P160 VanDerWaalsContact C-CD 3.45Å; P160-P206 HydrophobicContact CB-CB 4.22Å
161Y93.9Very high95.5Very high151 Ų15149.8 Ų49.859%0.59224%0.235SC*.SBendtrans-141.1154.6169.7-62.4-80.5000108.5G163 P206 Q255Y161-G163 PolarHBondContact O-N 3.4Å; Y161-P206 HydrophobicContact CD2-CB 4.49Å; Y161-P206 HydrophobicContact CE1-CB 4.22Å; Y161-P206 HydrophobicContact CE1-CG 4.38Å; Y161-P206 HydrophobicContact CE2-CB 3.76Å; Y161-Q255 PolarHBondContact O-OE1 3.08Å; Y161-Q255 VanDerWaalsContact O-OE1 3.11Å
162T93.3Very high95.4Very high42 Ų4252.4 Ų52.426%0.25825%0.248SC..  trans-72.9129.1176.8-51.20000111.6E196 Y197T162-E196 WeakPolarHBondContact CB-OE1 3.31Å; T162-E196 PolarHBondContact OG1-OE1 2.64Å; T162-Y197 HydrophobicContact CG2-CE2 3.81Å
163G94Very high95.2Very high12 Ų1253.1 Ų53.112%0.12425%0.251CS..  trans-58.2150.4173.200000113.6Y161 R165Y161-G163 PolarHBondContact O-N 3.4Å; G163-R165 PolarHBondContact O-N 2.98Å
164K95.6Very high94.9Very high120 Ų12060.1 Ų60.152%0.52228%0.278SS..  trans-81.290.3-171.5-168.3176.7178.2174.20112D30 R166 I169D30-K164 PolarHBondContact N-O 2.99Å; K164-R166 PolarHBondContact O-N 3.09Å; K164-I169 HydrophobicContact CD-CD1 4.44Å; K164-I169 HydrophobicContact CG-CD1 3.65Å
165R94.9Very high94.7Very high17 Ų1760.8 Ų60.86%0.06428%0.281CS..  trans-85.599.5177.1-62.5167.6-161.5161.64.6110A27 G163 N167 D168 I169 Y197 R254A27-R165 HydrophobicContact CB-CB 4.01Å; A27-R165 HydrophobicContact CB-CG 4.02Å; G163-R165 PolarHBondContact O-N 2.98Å; R165-N167 VanDerWaalsContact C-N 3.28Å; R165-N167 PolarHBondContact O-N 2.84Å; R165-D168 HydrophobicContact CB-CB 3.97Å; R165-D168 WeakPolarHBondContact CB-OD2 3.48Å; R165-D168 WeakPolarHBondContact CD-OD2 3.37Å; R165-D168 IonicContact NH1-OD2 2.81Å; R165-D168 WeakPolarHBondContact O-CB 3.38Å; R165-D168 PolarHBondContact O-N 3.06Å; R165-D168 VanDerWaalsContact O-N 3.12Å; R165-I169 PolarHBondContact O-N 2.93Å; R165-I169 VanDerWaalsContact O-N 3.15Å; R165-Y197 PolarHBondContact NH1-OH 2.66Å; R165-R254 VanDerWaalsContact CZ-NH2 3.35Å
166R97.1Very high94.4Very high71 Ų7162.2 Ų62.227%0.26829%0.291SS..Hα-helixtrans-61.8-33.3-171.3-63.9179.3-177.6172.8-3.9113.6D30 E31 K164 I169 R170D30-R166 VanDerWaalsContact O-CD 3.28Å; D30-R166 WeakPolarHBondContact O-CD 3.34Å; D30-R166 PolarHBondContact O-NE 3.24Å; D30-R166 PolarHBondContact O-NH1 2.78Å; E31-R166 IonicContact OE1-CZ 3.1Å; E31-R166 IonicContact OE1-NH1 2.78Å; E31-R166 PolarHBondContact OE1-NH1 3.08Å; E31-R166 IonicContact OE1-NH2 2.7Å; E31-R166 PolarHBondContact OE1-NH2 3.24Å; E31-R166 IonicContact OE2-CZ 3.86Å; E31-R166 IonicContact OE2-NH1 2.68Å; E31-R166 PolarHBondContact OE2-NH1 3.43Å; K164-R166 PolarHBondContact O-N 3.09Å; R166-I169 PolarHBondContact O-N 3.41Å; R166-R170 VanDerWaalsContact O-CG 3.27Å; R166-R170 WeakPolarHBondContact O-CG 3.44Å; R166-R170 PolarHBondContact O-N 3.36Å
167N94.2Very high94.1Very high52 Ų5268.1 Ų68.128%0.27833%0.33SS..Hα-helixtrans-70.5-37.8177.1-69.6-13.1000111.8D23 R165 I169 R170 N171D23-N167 HydrophobicContact CB-CB 3.87Å; R165-N167 VanDerWaalsContact C-N 3.28Å; R165-N167 PolarHBondContact O-N 2.84Å; N167-I169 VanDerWaalsContact C-N 3.28Å; N167-I169 PolarHBondContact O-N 3.17Å; N167-R170 PolarHBondContact O-N 3.04Å; N167-R170 PolarHBondContact OD1-NH1 3.27Å; N167-N171 VanDerWaalsContact O-CB 3.24Å; N167-N171 WeakPolarHBondContact O-CB 3.49Å; N167-N171 PolarHBondContact O-N 3.37Å; N167-N171 PolarHBondContact O-ND2 2.81Å; N167-N171 VanDerWaalsContact O-ND2 3.11Å
168D94.8Very high93.9Very high7 Ų773 Ų734%0.03735%0.349CS..Hα-helixtrans-61.3-41174.8-59.13.1000110.3Y24 R165 Q172 F173 Y197Y24-D168 WeakPolarHBondContact CA-OD1 3.33Å; R165-D168 HydrophobicContact CB-CB 3.97Å; R165-D168 WeakPolarHBondContact CB-OD2 3.48Å; R165-D168 WeakPolarHBondContact CD-OD2 3.37Å; R165-D168 IonicContact NH1-OD2 2.81Å; R165-D168 WeakPolarHBondContact O-CB 3.38Å; R165-D168 PolarHBondContact O-N 3.06Å; R165-D168 VanDerWaalsContact O-N 3.12Å; D168-Q172 WeakPolarHBondContact O-CA 3.38Å; D168-Q172 PolarHBondContact O-N 2.69Å; D168-F173 HydrophobicContact CB-CB 3.98Å; D168-F173 PolarHBondContact O-N 3.47Å; D168-Y197 PolarHBondContact OD2-OH 3.4Å
169I95.4Very high93.9Very high100 Ų10073 Ų7351%0.51335%0.348SS..Hα-helixtrans-64.6-48.4175.3-61.9167.3000111.3K164 R165 R166 N167 N171 Q172K164-I169 HydrophobicContact CD-CD1 4.44Å; K164-I169 HydrophobicContact CG-CD1 3.65Å; R165-I169 PolarHBondContact O-N 2.93Å; R165-I169 VanDerWaalsContact O-N 3.15Å; R166-I169 PolarHBondContact O-N 3.41Å; N167-I169 VanDerWaalsContact C-N 3.28Å; N167-I169 PolarHBondContact O-N 3.17Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 2.85Å; I169-Q172 PolarHBondContact O-N 3.09Å; I169-Q172 VanDerWaalsContact O-N 3.12Å
170R96.9Very high93.9Very high169 Ų16977.6 Ų77.664%0.63837%0.368SS*.Hα-helixtrans-62.5-39.9179.6-73.7173.4-171.5130-1.3112.3R166 N167 Q172R166-R170 VanDerWaalsContact O-CG 3.27Å; R166-R170 WeakPolarHBondContact O-CG 3.44Å; R166-R170 PolarHBondContact O-N 3.36Å; N167-R170 PolarHBondContact O-N 3.04Å; N167-R170 PolarHBondContact OD1-NH1 3.27Å; R170-Q172 PolarHBondContact O-N 3.5Å
171N95.4Very high94Very high44 Ų4475.2 Ų75.224%0.23535%0.352CS..THydrogen-bonded Turntrans-82.2-3.3179.2-62.6-30.8000112.2K19 A20 D23 N167 I169 F173K19-N171 PolarHBondContact NZ-OD1 2.99Å; A20-N171 HydrophobicContact CB-CB 4.2Å; D23-N171 VanDerWaalsContact CB-ND2 3.28Å; D23-N171 WeakPolarHBondContact CB-ND2 3.41Å; D23-N171 PolarHBondContact OD2-ND2 3.45Å; N167-N171 VanDerWaalsContact O-CB 3.24Å; N167-N171 WeakPolarHBondContact O-CB 3.49Å; N167-N171 PolarHBondContact O-N 3.37Å; N167-N171 PolarHBondContact O-ND2 2.81Å; N167-N171 VanDerWaalsContact O-ND2 3.11Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 2.85Å; N171-F173 PolarHBondContact O-N 3Å
172Q94.1Very high94.1Very high161 Ų16171 Ų7175%0.75234%0.337SS*.THydrogen-bonded Turntrans46.850.4-171.9-59.3-179.7300111.4D168 I169 R170 R174D168-Q172 WeakPolarHBondContact O-CA 3.38Å; D168-Q172 PolarHBondContact O-N 2.69Å; I169-Q172 PolarHBondContact O-N 3.09Å; I169-Q172 VanDerWaalsContact O-N 3.12Å; R170-Q172 PolarHBondContact O-N 3.5Å; Q172-R174 PolarHBondContact O-N 2.95Å
173F93.1Very high94.3Very high15 Ų1569 Ų697%0.06633%0.325CS..  trans-54127.8-170.5179.9-91000111.6Y24 L83 D168 N171 Y197Y24-F173 HydrophobicContact CD1-CE2 4.31Å; Y24-F173 HydrophobicContact CD1-CZ 4.09Å; Y24-F173 HydrophobicContact CD2-CD1 4.01Å; Y24-F173 HydrophobicContact CD2-CD2 4.35Å; Y24-F173 AromaticContact CD2-CE1 3.74Å; Y24-F173 HydrophobicContact CD2-CE1 3.74Å; Y24-F173 HydrophobicContact CD2-CE2 4.09Å; Y24-F173 HydrophobicContact CD2-CG 4.31Å; Y24-F173 AromaticContact CD2-CZ 3.77Å; Y24-F173 HydrophobicContact CD2-CZ 3.77Å; Y24-F173 HydrophobicContact CE2-CE1 4.03Å; Y24-F173 HydrophobicContact CE2-CZ 4.25Å; Y24-F173 HydrophobicContact CG-CD2 4.19Å; Y24-F173 HydrophobicContact CG-CE1 4.14Å; Y24-F173 AromaticContact CG-CE2 3.7Å; Y24-F173 HydrophobicContact CG-CE2 3.7Å; Y24-F173 AromaticContact CG-CZ 3.67Å; Y24-F173 HydrophobicContact CG-CZ 3.67Å; L83-F173 HydrophobicContact CD1-CE2 4.3Å; L83-F173 HydrophobicContact CD1-CZ 3.78Å; D168-F173 HydrophobicContact CB-CB 3.98Å; D168-F173 PolarHBondContact O-N 3.47Å; N171-F173 PolarHBondContact O-N 3Å; F173-Y197 AromaticContact CD1-CD1 3.73Å; F173-Y197 HydrophobicContact CD1-CD1 3.73Å; F173-Y197 AromaticContact CD1-CE1 3.7Å; F173-Y197 HydrophobicContact CD1-CE1 3.7Å; F173-Y197 AromaticContact CE1-CD1 3.7Å; F173-Y197 HydrophobicContact CE1-CD1 3.7Å; F173-Y197 HydrophobicContact CE1-CE1 4.04Å
174R91.6Very high94.4Very high147 Ų14769 Ų6956%0.55532%0.321SS*.  trans-133.2148.3172.3-62.1-62.1178.6-151.410.8108.7Q172 E195Q172-R174 PolarHBondContact O-N 2.95Å; R174-E195 PolarHBondContact NH1-O 3.12Å
175L91.7Very high94.1Very high14 Ų1468.1 Ų68.17%0.07332%0.319CS..  trans-65.8129.9167.2-168.466.9000107.7F80 L83 T110 L179 V181F80-L175 HydrophobicContact CB-CD1 4.1Å; F80-L175 HydrophobicContact CD1-CD1 3.89Å; F80-L175 HydrophobicContact CD1-CD2 4.38Å; F80-L175 HydrophobicContact CD2-CD1 4.33Å; F80-L175 HydrophobicContact CE1-CD1 4.47Å; F80-L175 HydrophobicContact CE1-CD2 4.45Å; F80-L175 HydrophobicContact CG-CD1 3.84Å; L83-L175 HydrophobicContact CD1-CD1 4.35Å; L83-L175 HydrophobicContact CD2-CD1 4.18Å; L83-L175 HydrophobicContact CG-CD1 4.22Å; T110-L175 HydrophobicContact CG2-CD1 4.48Å; L175-L179 HydrophobicContact CD1-CB 4.01Å; L175-L179 HydrophobicContact CD1-CD1 4.32Å; L175-L179 HydrophobicContact CD2-CB 4.15Å; L175-L179 WeakPolarHBondContact CD2-O 3.38Å; L175-L179 HydrophobicContact CG-CB 3.87Å; L175-V181 HydrophobicContact CD2-CG2 4.35Å
176P91.8Very high93.8Very high37 Ų3771.2 Ų71.224%0.2436%0.356CS..  trans-55.5142.8177.6-2835.6000111.6L83 H178 L179L83-P176 VanDerWaalsContact CD2-CD 3.4Å; L83-P176 HydrophobicContact CD2-CG 3.75Å; P176-H178 WeakPolarHBondContact CB-CE1 3.48Å; P176-H178 PolarHBondContact O-N 2.99Å; P176-L179 HydrophobicContact CG-CD1 4.41Å; P176-L179 PolarHBondContact O-N 3.2Å; P176-L179 VanDerWaalsContact O-O 3.1Å
177P89.6Confident93.4Very high129 Ų12970.5 Ų70.584%0.83836%0.36SS*.THydrogen-bonded Turntrans-59.7-22.9-171.6-2734.4000115.9L179P177-L179 VanDerWaalsContact C-N 3.3Å
178H91.8Very high92.9Very high152 Ų15270.7 Ų70.770%0.70436%0.358SS*.THydrogen-bonded Turntrans-81.6-9.3177.164.5-87.3000113.1P176P176-H178 WeakPolarHBondContact CB-CE1 3.48Å; P176-H178 PolarHBondContact O-N 2.99Å
179L93.8Very high91.9Very high27 Ų2778.3 Ų78.314%0.14139%0.394CS..  trans-108.4146.1175.5-61.9-176.8000109.6C82 L83 T110 L175 P176 P177C82-L179 HydrophobicContact CB-CD1 4.05Å; C82-L179 HydrophobicContact CB-CD2 3.61Å; C82-L179 HydrophobicContact CB-CG 4.47Å; L83-L179 HydrophobicContact CD2-CD1 3.86Å; L83-L179 HydrophobicContact CG-CD1 4.15Å; T110-L179 HydrophobicContact CG2-CB 4.29Å; L175-L179 HydrophobicContact CD1-CB 4.01Å; L175-L179 HydrophobicContact CD1-CD1 4.32Å; L175-L179 HydrophobicContact CD2-CB 4.15Å; L175-L179 WeakPolarHBondContact CD2-O 3.38Å; L175-L179 HydrophobicContact CG-CB 3.87Å; P176-L179 HydrophobicContact CG-CD1 4.41Å; P176-L179 PolarHBondContact O-N 3.2Å; P176-L179 VanDerWaalsContact O-O 3.1Å; P177-L179 VanDerWaalsContact C-N 3.3Å
180K94.8Very high90.4Very high108 Ų10883.6 Ų83.647%0.4742%0.416SS..  trans-137.2160.3178.1-62.8-176-173.7175.10110.4K182 E185K180-K182 PolarHBondContact O-N 2.99Å; K180-K182 VanDerWaalsContact O-N 3.1Å; K180-E185 HydrophobicContact CD-CG 4.37Å; K180-E185 WeakPolarHBondContact CD-OE1 3.47Å; K180-E185 IonicContact NZ-OE1 2.81Å; K180-E185 PolarHBondContact NZ-OE1 3.27Å
181V96.2Very high88.6Confident5 Ų579 Ų793%0.0341%0.407CS..  trans-77.889.9164.8-170.10000108.5F80 Y108 L175 N183 F184 E185 I199F80-V181 HydrophobicContact CE1-CG2 3.73Å; Y108-V181 HydrophobicContact CD1-CG1 4.46Å; Y108-V181 HydrophobicContact CD1-CG2 4.21Å; Y108-V181 HydrophobicContact CG-CG1 4.47Å; L175-V181 HydrophobicContact CD2-CG2 4.35Å; V181-N183 PolarHBondContact O-N 3.07Å; V181-N183 VanDerWaalsContact O-N 3.09Å; V181-F184 HydrophobicContact CB-CD2 4.3Å; V181-F184 HydrophobicContact CG1-CD2 3.65Å; V181-F184 HydrophobicContact CG1-CE2 4.23Å; V181-F184 PolarHBondContact O-N 2.89Å; V181-E185 PolarHBondContact O-N 2.73Å; V181-I199 HydrophobicContact CB-CG2 4.03Å; V181-I199 HydrophobicContact CG1-CG2 4.46Å; V181-I199 HydrophobicContact CG2-CG2 3.87Å
182K96.9Very high86.9Confident61 Ų6183.1 Ų83.127%0.26544%0.439SS..G310 helixtrans-63.2-22.7-167.2-77.3-159.6-168.1174.10114.6S109 T110 E115 K180 F184 E185S109-K182 PolarHBondContact O-N 3.19Å; S109-K182 VanDerWaalsContact O-N 3.12Å; T110-K182 WeakPolarHBondContact O-CD 3.36Å; T110-K182 WeakPolarHBondContact O-CE 3.31Å; T110-K182 VanDerWaalsContact O-CG 3.25Å; T110-K182 WeakPolarHBondContact O-CG 3.29Å; E115-K182 IonicContact OE1-NZ 3.1Å; E115-K182 PolarHBondContact OE1-NZ 3.21Å; E115-K182 WeakPolarHBondContact OE2-CD 3.45Å; E115-K182 IonicContact OE2-NZ 3.35Å; E115-K182 PolarHBondContact OE2-NZ 2.89Å; K180-K182 PolarHBondContact O-N 2.99Å; K180-K182 VanDerWaalsContact O-N 3.1Å; K182-F184 PolarHBondContact O-N 2.9Å; K182-E185 PolarHBondContact O-N 3.01Å
183N97.4Very high85.6Confident2 Ų278.7 Ų78.71%0.01142%0.423CS..G310 helixtrans-64.1-22.3173.4-69.9-31.8000113.3S106 T107 V113 L141 R144 V181S106-N183 PolarHBondContact O-ND2 3.05Å; T107-N183 PolarHBondContact O-ND2 3.38Å; V113-N183 PolarHBondContact N-OD1 2.88Å; L141-N183 HydrophobicContact CD2-CB 3.98Å; R144-N183 PolarHBondContact NH1-O 2.87Å; V181-N183 PolarHBondContact O-N 3.07Å; V181-N183 VanDerWaalsContact O-N 3.09Å
184F94.9Very high84.7Confident10 Ų1082.4 Ų82.44%0.04445%0.449CS..G310 helixtrans-11414.6177.6-59.5-65000113.4T107 Y132 L141 V181 K182 G186 V187 F188 I199T107-F184 HydrophobicContact CG2-CE2 3.65Å; T107-F184 HydrophobicContact CG2-CZ 3.62Å; Y132-F184 HydrophobicContact CD2-CZ 4.42Å; Y132-F184 HydrophobicContact CE1-CE2 4.44Å; Y132-F184 HydrophobicContact CE1-CZ 4.04Å; Y132-F184 HydrophobicContact CE2-CE1 4.36Å; Y132-F184 AromaticContact CE2-CZ 3.61Å; Y132-F184 HydrophobicContact CE2-CZ 3.61Å; Y132-F184 AromaticContact CZ-CE2 3.9Å; Y132-F184 AromaticContact CZ-CZ 3.39Å; Y132-F184 WeakPolarHBondContact OH-CE2 3.49Å; Y132-F184 VanDerWaalsContact OH-CZ 3.31Å; Y132-F184 WeakPolarHBondContact OH-CZ 3.49Å; L141-F184 HydrophobicContact CD1-CE1 3.72Å; L141-F184 HydrophobicContact CD1-CZ 3.65Å; L141-F184 HydrophobicContact CG-CE1 4.4Å; V181-F184 HydrophobicContact CB-CD2 4.3Å; V181-F184 HydrophobicContact CG1-CD2 3.65Å; V181-F184 HydrophobicContact CG1-CE2 4.23Å; V181-F184 PolarHBondContact O-N 2.89Å; K182-F184 PolarHBondContact O-N 2.9Å; F184-G186 PolarHBondContact O-N 3.16Å; F184-V187 HydrophobicContact CB-CB 4.22Å; F184-V187 HydrophobicContact CB-CG2 4.38Å; F184-V187 HydrophobicContact CD1-CG1 4.37Å; F184-V187 HydrophobicContact CD1-CG2 4.49Å; F184-V187 WeakPolarHBondContact O-CB 3.39Å; F184-V187 PolarHBondContact O-N 2.98Å; F184-F188 HydrophobicContact CB-CD2 3.92Å; F184-F188 HydrophobicContact CB-CE2 3.55Å; F184-F188 AromaticContact CD1-CE2 3.96Å; F184-F188 HydrophobicContact CD1-CE2 3.96Å; F184-F188 HydrophobicContact CD1-CZ 4.19Å; F184-F188 HydrophobicContact CD2-CE2 4.14Å; F184-F188 HydrophobicContact CG-CD2 4.48Å; F184-F188 AromaticContact CG-CE2 3.63Å; F184-F188 HydrophobicContact CG-CE2 3.63Å; F184-F188 HydrophobicContact CG-CZ 4.29Å; F184-I199 HydrophobicContact CD2-CG2 3.91Å
185E90.5Very high84.3Confident103 Ų10380.4 Ų80.448%0.48145%0.445SS..THydrogen-bonded Turntrans-62.5125.7177.9-177.3159.1-14500110.4K180 V181 K182 V187K180-E185 HydrophobicContact CD-CG 4.37Å; K180-E185 WeakPolarHBondContact CD-OE1 3.47Å; K180-E185 IonicContact NZ-OE1 2.81Å; K180-E185 PolarHBondContact NZ-OE1 3.27Å; V181-E185 PolarHBondContact O-N 2.73Å; K182-E185 PolarHBondContact O-N 3.01Å; E185-V187 VanDerWaalsContact C-N 3.25Å; E185-V187 PolarHBondContact O-N 3.08Å
186G87.9Confident83.8Confident82 Ų8282.8 Ų82.885%0.84546%0.456SS*.THydrogen-bonded Turntrans75.55.6-175.900000115.3F184F184-G186 PolarHBondContact O-N 3.16Å
187V88.6Confident83.6Confident55 Ų5582.8 Ų82.833%0.33345%0.452SS..THydrogen-bonded Turntrans-87.2-46.8179.1174.60000111.9L137 F184 E185L137-V187 HydrophobicContact CD2-CG1 3.35Å; F184-V187 HydrophobicContact CB-CB 4.22Å; F184-V187 HydrophobicContact CB-CG2 4.38Å; F184-V187 HydrophobicContact CD1-CG1 4.37Å; F184-V187 HydrophobicContact CD1-CG2 4.49Å; F184-V187 WeakPolarHBondContact O-CB 3.39Å; F184-V187 PolarHBondContact O-N 2.98Å; E185-V187 VanDerWaalsContact C-N 3.25Å; E185-V187 PolarHBondContact O-N 3.08Å
188F83.9Confident83.4Confident57 Ų5777.7 Ų77.725%0.2542%0.422CS..SBendtrans-90.6131.4178.8-57.3-66.1000109.6L137 F184 I199 P200 T203L137-F188 HydrophobicContact CD1-CE1 3.81Å; L137-F188 HydrophobicContact CD1-CZ 3.99Å; F184-F188 HydrophobicContact CB-CD2 3.92Å; F184-F188 HydrophobicContact CB-CE2 3.55Å; F184-F188 AromaticContact CD1-CE2 3.96Å; F184-F188 HydrophobicContact CD1-CE2 3.96Å; F184-F188 HydrophobicContact CD1-CZ 4.19Å; F184-F188 HydrophobicContact CD2-CE2 4.14Å; F184-F188 HydrophobicContact CG-CD2 4.48Å; F184-F188 AromaticContact CG-CE2 3.63Å; F184-F188 HydrophobicContact CG-CE2 3.63Å; F184-F188 HydrophobicContact CG-CZ 4.29Å; F188-I199 HydrophobicContact CD2-CB 4.32Å; F188-I199 HydrophobicContact CD2-CG2 4.36Å; F188-I199 HydrophobicContact CE2-CB 3.84Å; F188-I199 HydrophobicContact CE2-CG2 3.82Å; F188-I199 HydrophobicContact CZ-CB 4.49Å; F188-P200 HydrophobicContact CB-CG 3.95Å; F188-P200 HydrophobicContact CD1-CG 3.87Å; F188-P200 HydrophobicContact CD2-CG 4.31Å; F188-P200 HydrophobicContact CE1-CG 4.46Å; F188-P200 HydrophobicContact CG-CG 3.78Å; F188-T203 HydrophobicContact CE1-CG2 4.09Å; F188-T203 HydrophobicContact CZ-CG2 4.28Å
189E73.3Confident83.3Confident167 Ų16770.6 Ų70.678%0.7839%0.389SS*.  trans-64.1146.8170.2-66.4-178.7175.900110T191E189-T191 VanDerWaalsContact C-N 3.33Å; E189-T191 HydrophobicContact CB-CG2 4.08Å; E189-T191 PolarHBondContact O-N 2.7Å; E189-T191 PolarHBondContact O-OG1 3.29Å
190E64.7Low83.1Confident210 Ų21070.4 Ų70.498%0.98139%0.39SS*.  trans-62.396.7170.4-75.1-174179.700108.6
191T58.9Low82.8Confident73 Ų7366.4 Ų66.445%0.44838%0.377SS..  trans-115.6151.1-177.954.50000109.4E189 V193E189-T191 VanDerWaalsContact C-N 3.33Å; E189-T191 HydrophobicContact CB-CG2 4.08Å; E189-T191 PolarHBondContact O-N 2.7Å; E189-T191 PolarHBondContact O-OG1 3.29Å; T191-V193 PolarHBondContact O-N 2.81Å; T191-V193 WeakPolarHBondContact OG1-CG2 3.37Å
192S59.7Low82.4Confident131 Ų13171.5 Ų71.592%0.91640%0.404SS*.SBendtrans-72.820.1175.162.20000113.4
193V67.4Low82.2Confident68 Ų6869.8 Ų69.841%0.41240%0.399SS..SBendtrans-80139.4-176.1-176.30000108.5T191 E195 P200T191-V193 PolarHBondContact O-N 2.81Å; T191-V193 WeakPolarHBondContact OG1-CG2 3.37Å; V193-E195 PolarHBondContact O-N 3.1Å; V193-P200 HydrophobicContact CG1-CB 4.47Å
194P74.3Confident82Confident93 Ų9370.8 Ų70.860%0.60440%0.404SS*.PPolyproline II helixtrans-54.8129.6173.2-25.234.3000111.3A201P194-A201 WeakPolarHBondContact O-CB 3.27Å; P194-A201 PolarHBondContact O-N 3.03Å
195E81.4Confident82.1Confident104 Ų10471 Ų7149%0.48641%0.406SS..EExtended strand (participates in β ladder)trans-83.5143.3173.5-68.4-178.7-177.800111.6R174 V193 I199R174-E195 PolarHBondContact NH1-O 3.12Å; V193-E195 PolarHBondContact O-N 3.1Å; E195-I199 CarbonylContact C-O 3.48Å; E195-I199 VanDerWaalsContact CA-O 3.31Å; E195-I199 WeakPolarHBondContact CA-O 2.89Å
196E82.4Confident82.4Confident64 Ų6467.7 Ų67.730%0.29939%0.393SS..EExtended strand (participates in β ladder)trans-121.1109.4169.2-156.5-170.8154.800108.2T162 G198 I199 A201T162-E196 WeakPolarHBondContact CB-OE1 3.31Å; T162-E196 PolarHBondContact OG1-OE1 2.64Å; E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.44Å; E196-I199 PolarHBondContact N-O 3.39Å; E196-I199 PolarHBondContact O-N 3.24Å; E196-A201 HydrophobicContact CB-CB 4.11Å
197Y87.2Confident82.8Confident38 Ų3867.4 Ų67.415%0.14938%0.378CS..THydrogen-bonded Turntrans5243.2-178.5-57.9-79000114.9Y24 F80 T162 R165 D168 F173Y24-Y197 HydrophobicContact CD2-CD1 4.29Å; Y24-Y197 AromaticContact CD2-CE1 3.79Å; Y24-Y197 HydrophobicContact CD2-CE1 3.79Å; Y24-Y197 AromaticContact CE2-CD1 3.69Å; Y24-Y197 HydrophobicContact CE2-CD1 3.69Å; Y24-Y197 AromaticContact CE2-CE1 3.48Å; Y24-Y197 HydrophobicContact CE2-CE1 3.48Å; Y24-Y197 VanDerWaalsContact CE2-CE1 3.48Å; F80-Y197 HydrophobicContact CE2-CD1 4.18Å; F80-Y197 WeakPolarHBondContact CZ-O 3.19Å; T162-Y197 HydrophobicContact CG2-CE2 3.81Å; R165-Y197 PolarHBondContact NH1-OH 2.66Å; D168-Y197 PolarHBondContact OD2-OH 3.4Å; F173-Y197 AromaticContact CD1-CD1 3.73Å; F173-Y197 HydrophobicContact CD1-CD1 3.73Å; F173-Y197 AromaticContact CD1-CE1 3.7Å; F173-Y197 HydrophobicContact CD1-CE1 3.7Å; F173-Y197 AromaticContact CE1-CD1 3.7Å; F173-Y197 HydrophobicContact CE1-CD1 3.7Å; F173-Y197 HydrophobicContact CE1-CE1 4.04Å
198G85.6Confident83.2Confident21 Ų2166.9 Ų66.922%0.21637%0.373CS..THydrogen-bonded Turntrans84.39.7171.100000115.5E196E196-G198 VanDerWaalsContact C-N 3.32Å; E196-G198 PolarHBondContact O-N 3.44Å
199I89.5Confident83.8Confident3 Ų367.1 Ų67.12%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-133.3165.9166.369168.9000109.8Y108 Y132 V181 F184 F188 E195 E196 A201 T203Y108-I199 HydrophobicContact CE1-CD1 3.79Å; Y108-I199 HydrophobicContact CE1-CG1 3.88Å; Y108-I199 HydrophobicContact CE1-CG2 4.47Å; Y108-I199 WeakPolarHBondContact OH-CD1 3.4Å; Y132-I199 HydrophobicContact CE1-CD1 3.95Å; V181-I199 HydrophobicContact CB-CG2 4.03Å; V181-I199 HydrophobicContact CG1-CG2 4.46Å; V181-I199 HydrophobicContact CG2-CG2 3.87Å; F184-I199 HydrophobicContact CD2-CG2 3.91Å; F188-I199 HydrophobicContact CD2-CB 4.32Å; F188-I199 HydrophobicContact CD2-CG2 4.36Å; F188-I199 HydrophobicContact CE2-CB 3.84Å; F188-I199 HydrophobicContact CE2-CG2 3.82Å; F188-I199 HydrophobicContact CZ-CB 4.49Å; E195-I199 CarbonylContact C-O 3.48Å; E195-I199 VanDerWaalsContact CA-O 3.31Å; E195-I199 WeakPolarHBondContact CA-O 2.89Å; E196-I199 PolarHBondContact N-O 3.39Å; E196-I199 PolarHBondContact O-N 3.24Å; I199-A201 PolarHBondContact O-N 3.45Å; I199-T203 WeakPolarHBondContact CD1-OG1 3.4Å
200P90.1Very high85Confident23 Ų2362.3 Ų62.315%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-55.9139.4175.4-25.435.3000112.1F188 V193 T203F188-P200 HydrophobicContact CB-CG 3.95Å; F188-P200 HydrophobicContact CD1-CG 3.87Å; F188-P200 HydrophobicContact CD2-CG 4.31Å; F188-P200 HydrophobicContact CE1-CG 4.46Å; F188-P200 HydrophobicContact CG-CG 3.78Å; V193-P200 HydrophobicContact CG1-CB 4.47Å; P200-T203 HydrophobicContact CB-CG2 3.96Å; P200-T203 WeakPolarHBondContact O-CG2 3.22Å; P200-T203 PolarHBondContact O-OG1 3.29Å
201A88.3Confident86.5Confident25 Ų2558.8 Ų58.821%0.20734%0.338CS..THydrogen-bonded Turntrans-61.6158.5176.600000111.9P194 E196 I199 T203P194-A201 WeakPolarHBondContact O-CB 3.27Å; P194-A201 PolarHBondContact O-N 3.03Å; E196-A201 HydrophobicContact CB-CB 4.11Å; I199-A201 PolarHBondContact O-N 3.45Å; A201-T203 PolarHBondContact O-N 3.46Å
202N87.6Confident88.3Confident111 Ų11156.1 Ų56.159%0.59432%0.321SS*.THydrogen-bonded Turntrans60.421.7177.5-61.3-42.9000115.6R133R133-N202 WeakPolarHBondContact CD-O 3.42Å; R133-N202 PolarHBondContact NE-O 3.3Å
203T91.9Very high90.1Very high25 Ų2550.1 Ų50.115%0.15328%0.279CS..  trans-76.7-29.1177.944.20000113.5Y132 R133 F188 I199 P200 A201Y132-T203 WeakPolarHBondContact CA-O 3.22Å; R133-T203 PolarHBondContact N-O 3.19Å; F188-T203 HydrophobicContact CE1-CG2 4.09Å; F188-T203 HydrophobicContact CZ-CG2 4.28Å; I199-T203 WeakPolarHBondContact CD1-OG1 3.4Å; P200-T203 HydrophobicContact CB-CG2 3.96Å; P200-T203 WeakPolarHBondContact O-CG2 3.22Å; P200-T203 PolarHBondContact O-OG1 3.29Å; A201-T203 PolarHBondContact O-N 3.46Å
204L94Very high91.5Very high23 Ų2352.9 Ų52.912%0.1228%0.283CS..BIsolated β-bridgetrans-66.9144.3174.5-63.5-179.4000111.5Y130 Y132 R133 V159 P206Y130-L204 HydrophobicContact CD1-CD2 4.39Å; Y130-L204 HydrophobicContact CD2-CD2 4.48Å; Y130-L204 HydrophobicContact CG-CD2 3.94Å; Y132-L204 HydrophobicContact CD1-CD2 4Å; Y132-L204 HydrophobicContact CE1-CD2 3.66Å; R133-L204 WeakPolarHBondContact CG-O 3.05Å; R133-L204 PolarHBondContact NE-O 3.34Å; V159-L204 HydrophobicContact CG1-CD1 4.11Å; L204-P206 VanDerWaalsContact O-CD 3.22Å; L204-P206 WeakPolarHBondContact O-CD 3.17Å
205D96.3Very high92.7Very high14 Ų1451.1 Ų51.18%0.07526%0.264CS..  trans-92.7105.3178.9-171.1-3.6000111.4V131 R133 R135 S207 I208V131-D205 HydrophobicContact CG1-CB 4.32Å; V131-D205 PolarHBondContact O-N 3.06Å; R133-D205 HydrophobicContact CG-CB 4.13Å; R135-D205 IonicContact CZ-OD2 2.91Å; R135-D205 IonicContact NE-OD2 3.54Å; R135-D205 PolarHBondContact NE-OD2 3.02Å; R135-D205 IonicContact NH2-OD2 2.76Å; R135-D205 PolarHBondContact NH2-OD2 3.06Å; D205-S207 PolarHBondContact O-N 3.18Å; D205-S207 WeakPolarHBondContact OD1-CA 3.08Å; D205-S207 VanDerWaalsContact OD1-CB 3.3Å; D205-S207 WeakPolarHBondContact OD1-CB 3.19Å; D205-S207 PolarHBondContact OD1-N 3.31Å; D205-S207 PolarHBondContact OD1-OG 2.73Å; D205-S207 PolarHBondContact OD2-OG 3.39Å; D205-I208 HydrophobicContact CB-CG2 4.13Å; D205-I208 WeakPolarHBondContact O-CG2 3.45Å
206P96.5Very high93.5Very high35 Ų3546.2 Ų46.223%0.22724%0.241CC..THydrogen-bonded Turntrans-75.4-6.5177.333.1-37.1000112.9P160 Y161 L204 I208P160-P206 HydrophobicContact CB-CB 4.22Å; Y161-P206 HydrophobicContact CD2-CB 4.49Å; Y161-P206 HydrophobicContact CE1-CB 4.22Å; Y161-P206 HydrophobicContact CE1-CG 4.38Å; Y161-P206 HydrophobicContact CE2-CB 3.76Å; L204-P206 VanDerWaalsContact O-CD 3.22Å; L204-P206 WeakPolarHBondContact O-CD 3.17Å; P206-I208 VanDerWaalsContact C-N 3.35Å
207S96.9Very high94.2Very high76 Ų7646.3 Ų46.353%0.53124%0.241SC..THydrogen-bonded Turntrans-90.72.7-17776.50000114.1D205D205-S207 PolarHBondContact O-N 3.18Å; D205-S207 WeakPolarHBondContact OD1-CA 3.08Å; D205-S207 VanDerWaalsContact OD1-CB 3.3Å; D205-S207 WeakPolarHBondContact OD1-CB 3.19Å; D205-S207 PolarHBondContact OD1-N 3.31Å; D205-S207 PolarHBondContact OD1-OG 2.73Å; D205-S207 PolarHBondContact OD2-OG 3.39Å
208I96.6Very high94.7Very high44 Ų4448.9 Ų48.923%0.22627%0.265CS..  trans-56.3140.9175.860.9169.8000111.3V131 D205 P206 D212V131-I208 HydrophobicContact CB-CG2 3.75Å; V131-I208 HydrophobicContact CG1-CG2 3.54Å; V131-I208 HydrophobicContact CG2-CG2 4.4Å; D205-I208 HydrophobicContact CB-CG2 4.13Å; D205-I208 WeakPolarHBondContact O-CG2 3.45Å; P206-I208 VanDerWaalsContact C-N 3.35Å; I208-D212 WeakPolarHBondContact CA-OD2 3.49Å
209S97.6Very high95.3Very high62 Ų6249.1 Ų49.143%0.43426%0.261SS..  trans-144.6-179.2173.677.50000110.6K211 D212S209-K211 PolarHBondContact O-N 2.95Å; S209-K211 WeakPolarHBondContact OG-CG 2.97Å; S209-D212 PolarHBondContact N-OD2 2.88Å; S209-D212 VanDerWaalsContact O-CB 3.3Å; S209-D212 WeakPolarHBondContact O-CB 3.48Å; S209-D212 PolarHBondContact O-N 3.24Å
210W97.6Very high95.8Very high65 Ų6549.6 Ų49.625%0.24626%0.264CS..THydrogen-bonded Turntrans-56.8-23.8179.8-66.8106000114.2D212 I213 I229 D234 L237 A238 H241W210-D212 PolarHBondContact O-N 2.89Å; W210-I213 HydrophobicContact CE3-CG1 4.12Å; W210-I213 WeakPolarHBondContact O-CB 3.24Å; W210-I213 WeakPolarHBondContact O-CG1 3.36Å; W210-I213 PolarHBondContact O-N 3.24Å; W210-I229 HydrophobicContact CH2-CD1 4.25Å; W210-D234 HydrophobicContact CH2-CB 4.44Å; W210-D234 WeakPolarHBondContact CH2-O 3.41Å; W210-D234 HydrophobicContact CZ2-CB 3.94Å; W210-L237 HydrophobicContact CD2-CB 3.94Å; W210-L237 HydrophobicContact CD2-CD1 4.5Å; W210-L237 HydrophobicContact CE3-CB 4.21Å; W210-L237 HydrophobicContact CH2-CB 3.9Å; W210-L237 HydrophobicContact CZ2-CB 3.59Å; W210-L237 HydrophobicContact CZ2-CD1 4.08Å; W210-L237 HydrophobicContact CZ2-CG 4.48Å; W210-L237 HydrophobicContact CZ3-CB 4.21Å; W210-L237 VanDerWaalsContact NE1-CD1 3.34Å; W210-A238 HydrophobicContact CH2-CB 3.96Å; W210-A238 HydrophobicContact CZ3-CB 3.93Å; W210-H241 PolarHBondContact O-CD2 3.28Å
211K96.1Very high96.1Very high137 Ų13759.6 Ų59.660%0.59630%0.299SS*.Hα-helixtrans-61.8-29.3173.678.5-170.3175.5173.90112.6S209 I213 Y214S209-K211 PolarHBondContact O-N 2.95Å; S209-K211 WeakPolarHBondContact OG-CG 2.97Å; K211-I213 PolarHBondContact O-N 2.6Å; K211-Y214 PolarHBondContact O-N 2.86Å
212D97.4Very high96.5Very high17 Ų1759.5 Ų59.59%0.09130%0.295CS..Hα-helixtrans-72.3-15-178-64.6-84.4000112.1R135 I208 S209 W210 Y214 W215 L216R135-D212 IonicContact CZ-OD1 3.3Å; R135-D212 IonicContact NH1-OD1 3.31Å; R135-D212 PolarHBondContact NH1-OD1 3.08Å; R135-D212 IonicContact NH2-OD1 3.87Å; R135-D212 PolarHBondContact NH2-OD1 2.86Å; I208-D212 WeakPolarHBondContact CA-OD2 3.49Å; S209-D212 PolarHBondContact N-OD2 2.88Å; S209-D212 VanDerWaalsContact O-CB 3.3Å; S209-D212 WeakPolarHBondContact O-CB 3.48Å; S209-D212 PolarHBondContact O-N 3.24Å; W210-D212 PolarHBondContact O-N 2.89Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-W215 PolarHBondContact O-N 3.32Å; D212-L216 PolarHBondContact O-N 3.48Å
213I97.4Very high96.9Very high5 Ų556 Ų563%0.02628%0.278CS..Hα-helixtrans-63.3-42.7170.1-56.5-52.2000110.5L155 W210 K211 W215 L216 Q217 I226 H241 V243L155-I213 HydrophobicContact CD2-CD1 3.48Å; L155-I213 VanDerWaalsContact CD2-CD1 3.48Å; W210-I213 HydrophobicContact CE3-CG1 4.12Å; W210-I213 WeakPolarHBondContact O-CB 3.24Å; W210-I213 WeakPolarHBondContact O-CG1 3.36Å; W210-I213 PolarHBondContact O-N 3.24Å; K211-I213 PolarHBondContact O-N 2.6Å; I213-W215 VanDerWaalsContact C-N 3.32Å; I213-W215 PolarHBondContact O-N 3.41Å; I213-L216 PolarHBondContact O-N 3.3Å; I213-Q217 HydrophobicContact CG2-CG 4.36Å; I213-Q217 WeakPolarHBondContact O-CB 3.47Å; I213-Q217 VanDerWaalsContact O-CG 3.27Å; I213-Q217 WeakPolarHBondContact O-CG 3.24Å; I213-Q217 PolarHBondContact O-N 2.85Å; I213-I226 HydrophobicContact CD1-CD1 3.61Å; I213-H241 HydrophobicContact CB-CB 4.3Å; I213-H241 HydrophobicContact CG2-CB 4Å; I213-V243 HydrophobicContact CG2-CG1 3.86Å
214Y97.7Very high97Very high126 Ų12654.9 Ų54.949%0.49427%0.271SS..Hα-helixtrans-65.2-37.5177-60.4-64.4000112.1K211 D212 S218 H241K211-Y214 PolarHBondContact O-N 2.86Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; Y214-S218 WeakPolarHBondContact O-CB 3.46Å; Y214-S218 PolarHBondContact O-N 2.92Å; Y214-H241 AromaticContact CE2-CD2 3.45Å; Y214-H241 VanDerWaalsContact CE2-CD2 3.45Å; Y214-H241 WeakPolarHBondContact CE2-CD2 3.3Å; Y214-H241 AromaticContact CE2-NE2 3.76Å; Y214-H241 AromaticContact CZ-CD2 3.5Å; Y214-H241 PolarHBondContact OH-CD2 3.25Å
215W98.1Very high96.9Very high56 Ų5653.8 Ų53.821%0.21227%0.266CS..Hα-helixtrans-62.1-48.1172.5164.374.5000110.9V131 R135 D212 I213 Q217 S218 I219V131-W215 HydrophobicContact CG1-CZ3 4.39Å; V131-W215 HydrophobicContact CG2-CZ3 4.13Å; R135-W215 HydrophobicContact CB-CZ2 4.04Å; D212-W215 PolarHBondContact O-N 3.32Å; I213-W215 VanDerWaalsContact C-N 3.32Å; I213-W215 PolarHBondContact O-N 3.41Å; W215-Q217 VanDerWaalsContact C-N 3.34Å; W215-Q217 PolarHBondContact O-N 2.78Å; W215-S218 WeakPolarHBondContact O-CB 3Å; W215-S218 PolarHBondContact O-N 3.43Å; W215-S218 PolarHBondContact O-OG 2.69Å; W215-I219 HydrophobicContact CH2-CD1 4Å; W215-I219 HydrophobicContact CZ2-CD1 3.71Å; W215-I219 PolarHBondContact O-N 3.25Å
216L98.1Very high96.6Very high1 Ų153.1 Ų53.11%0.00526%0.262CS..Hα-helixtrans-62.1-42179.2-173.458.8000111.7L129 V142 L153 L155 D212 I213 S218 I219 T220 I224L129-L216 HydrophobicContact CD2-CD1 3.81Å; L129-L216 HydrophobicContact CD2-CD2 4.31Å; V142-L216 HydrophobicContact CG2-CD1 3.94Å; L153-L216 HydrophobicContact CD1-CD1 4.15Å; L155-L216 HydrophobicContact CB-CD2 4.24Å; L155-L216 HydrophobicContact CD1-CD2 4.48Å; L155-L216 HydrophobicContact CD2-CD2 3.99Å; L155-L216 HydrophobicContact CG-CD2 4.47Å; D212-L216 PolarHBondContact O-N 3.48Å; I213-L216 PolarHBondContact O-N 3.3Å; L216-S218 PolarHBondContact O-N 2.96Å; L216-I219 HydrophobicContact CD1-CD1 4.05Å; L216-I219 HydrophobicContact CD1-CG1 4.19Å; L216-I219 WeakPolarHBondContact O-CG1 3.44Å; L216-I219 PolarHBondContact O-N 3.03Å; L216-T220 VanDerWaalsContact O-CG2 3.25Å; L216-T220 WeakPolarHBondContact O-CG2 3.22Å; L216-T220 PolarHBondContact O-N 3.36Å; L216-I224 HydrophobicContact CB-CD1 4.13Å; L216-I224 HydrophobicContact CD2-CD1 3.91Å; L216-I224 HydrophobicContact CD2-CG1 4.14Å; L216-I224 HydrophobicContact CD2-CG2 4.14Å; L216-I224 HydrophobicContact CG-CD1 3.75Å; L216-I224 HydrophobicContact CG-CG1 4.32Å
217Q97.9Very high96.3Very high65 Ų6551.6 Ų51.630%0.30425%0.252SS..Hα-helixtrans-61.2-30.3173.6-73.4170.6-2000112.9I213 W215 I219 I224 H241I213-Q217 HydrophobicContact CG2-CG 4.36Å; I213-Q217 WeakPolarHBondContact O-CB 3.47Å; I213-Q217 VanDerWaalsContact O-CG 3.27Å; I213-Q217 WeakPolarHBondContact O-CG 3.24Å; I213-Q217 PolarHBondContact O-N 2.85Å; W215-Q217 VanDerWaalsContact C-N 3.34Å; W215-Q217 PolarHBondContact O-N 2.78Å; Q217-I219 VanDerWaalsContact C-N 3.28Å; Q217-I219 PolarHBondContact O-N 3.43Å; Q217-I224 HydrophobicContact CB-CD1 4.43Å; Q217-I224 HydrophobicContact CG-CD1 3.55Å; Q217-H241 PolarHBondContact NE2-O 2.79Å
218S98.2Very high95.9Very high92 Ų9248.6 Ų48.664%0.64323%0.233SC*.Hα-helixtrans-73.2-19.6179.477.40000113.7Y214 W215 L216Y214-S218 WeakPolarHBondContact O-CB 3.46Å; Y214-S218 PolarHBondContact O-N 2.92Å; W215-S218 WeakPolarHBondContact O-CB 3Å; W215-S218 PolarHBondContact O-N 3.43Å; W215-S218 PolarHBondContact O-OG 2.69Å; L216-S218 PolarHBondContact O-N 2.96Å
219I98.3Very high95.3Very high26 Ų2646.6 Ų46.613%0.13322%0.223CC..Hα-helixtrans-109.8-2.7-174.863.8162.9000114.1E139 V142 H143 W215 L216 Q217E139-I219 HydrophobicContact CB-CD1 4.12Å; E139-I219 HydrophobicContact CG-CD1 4.15Å; V142-I219 HydrophobicContact CB-CD1 4.31Å; V142-I219 HydrophobicContact CG1-CD1 4.23Å; V142-I219 HydrophobicContact CG1-CG1 4.36Å; V142-I219 HydrophobicContact CG2-CD1 4.29Å; H143-I219 PolarHBondContact CE1-O 3.01Å; W215-I219 HydrophobicContact CH2-CD1 4Å; W215-I219 HydrophobicContact CZ2-CD1 3.71Å; W215-I219 PolarHBondContact O-N 3.25Å; L216-I219 HydrophobicContact CD1-CD1 4.05Å; L216-I219 HydrophobicContact CD1-CG1 4.19Å; L216-I219 WeakPolarHBondContact O-CG1 3.44Å; L216-I219 PolarHBondContact O-N 3.03Å; Q217-I219 VanDerWaalsContact C-N 3.28Å; Q217-I219 PolarHBondContact O-N 3.43Å
220T98.4Very high94.5Very high14 Ų1445.6 Ų45.69%0.08621%0.212CC..  trans-144.7154.2-179.1-168.60000112.6V142 E146 L153 L216 L222 I224V142-T220 HydrophobicContact CG1-CG2 4.43Å; E146-T220 WeakPolarHBondContact OE2-CA 3.25Å; E146-T220 WeakPolarHBondContact OE2-CB 3.23Å; E146-T220 PolarHBondContact OE2-OG1 2.89Å; L153-T220 HydrophobicContact CD1-CG2 3.6Å; L216-T220 VanDerWaalsContact O-CG2 3.25Å; L216-T220 WeakPolarHBondContact O-CG2 3.22Å; L216-T220 PolarHBondContact O-N 3.36Å; T220-L222 WeakPolarHBondContact OG1-CB 3.16Å; T220-L222 PolarHBondContact OG1-N 3.24Å; T220-L222 VanDerWaalsContact OG1-N 3.09Å; T220-I224 HydrophobicContact CG2-CD1 4.46Å
221R96.6Very high93.9Very high232 Ų23244.9 Ų44.988%0.87522%0.215SC*.  trans-102.3-3.4168-57.7178.2176.7-179.9-0.3112.7E146E146-R221 WeakPolarHBondContact OE1-CB 3.19Å; E146-R221 PolarHBondContact OE1-N 3.29Å; E146-R221 PolarHBondContact OE2-N 3.37Å
222L97.6Very high93.3Very high23 Ų2341.9 Ų41.912%0.1220%0.202CC..SBendtrans-68143.3178.2-66.2-179.3000110.6V145 E146 Y150 L153 T220 I224V145-L222 HydrophobicContact CG2-CD1 4.42Å; E146-L222 HydrophobicContact CB-CD1 3.95Å; E146-L222 HydrophobicContact CB-CG 4.19Å; E146-L222 HydrophobicContact CG-CD1 4.31Å; E146-L222 HydrophobicContact CG-CD2 4.3Å; E146-L222 HydrophobicContact CG-CG 3.99Å; Y150-L222 WeakPolarHBondContact O-CD2 3.16Å; L153-L222 HydrophobicContact CD1-CB 4.41Å; L153-L222 HydrophobicContact CD2-CD1 4.19Å; L153-L222 HydrophobicContact CG-CB 4.11Å; L153-L222 HydrophobicContact CG-CD1 3.99Å; T220-L222 WeakPolarHBondContact OG1-CB 3.16Å; T220-L222 PolarHBondContact OG1-N 3.24Å; T220-L222 VanDerWaalsContact OG1-N 3.09Å; L222-I224 PolarHBondContact O-N 2.85Å
223P94.6Very high92.9Very high37 Ų3746.7 Ų46.724%0.2422%0.224CC..PPolyproline II helixtrans-54.8134.9167.5-22.932000111.4K151 A152 L153 Q244K151-P223 WeakPolarHBondContact O-CD 3.22Å; A152-P223 WeakPolarHBondContact CA-O 3.25Å; A152-P223 HydrophobicContact CB-CB 4.29Å; A152-P223 WeakPolarHBondContact CB-O 3.29Å; L153-P223 PolarHBondContact N-O 3Å; P223-Q244 HydrophobicContact CB-CB 3.8Å; P223-Q244 HydrophobicContact CB-CG 3.89Å
224I95.4Very high92.6Very high3 Ų349.3 Ų49.32%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-100.2128.1176.7-62166.4000108.9L155 L216 Q217 T220 L222 I226 V243 Q244 G245L155-I224 HydrophobicContact CB-CG2 4.42Å; L216-I224 HydrophobicContact CB-CD1 4.13Å; L216-I224 HydrophobicContact CD2-CD1 3.91Å; L216-I224 HydrophobicContact CD2-CG1 4.14Å; L216-I224 HydrophobicContact CD2-CG2 4.14Å; L216-I224 HydrophobicContact CG-CD1 3.75Å; L216-I224 HydrophobicContact CG-CG1 4.32Å; Q217-I224 HydrophobicContact CB-CD1 4.43Å; Q217-I224 HydrophobicContact CG-CD1 3.55Å; T220-I224 HydrophobicContact CG2-CD1 4.46Å; L222-I224 PolarHBondContact O-N 2.85Å; I224-I226 HydrophobicContact CG2-CD1 3.83Å; I224-V243 HydrophobicContact CG2-CG1 4.42Å; I224-Q244 PolarHBondContact O-N 3.32Å; I224-G245 PolarHBondContact O-N 3.42Å
225I90.9Very high91.8Very high0 Ų043.3 Ų43.30%022%0.215CC..EExtended strand (participates in β ladder)trans-117.8123.1178.2-45.2-63.7000107.7Q65 W126 A152 L153 V154 L155 Q244 G245 I247Q65-I225 HydrophobicContact CG-CD1 4.37Å; W126-I225 HydrophobicContact CE3-CG1 4.23Å; W126-I225 HydrophobicContact CH2-CD1 4.25Å; W126-I225 HydrophobicContact CH2-CG1 4.16Å; W126-I225 HydrophobicContact CZ3-CB 4.39Å; W126-I225 HydrophobicContact CZ3-CD1 4.19Å; W126-I225 HydrophobicContact CZ3-CG1 3.63Å; W126-I225 HydrophobicContact CZ3-CG2 4.31Å; A152-I225 HydrophobicContact CB-CG1 4.07Å; L153-I225 PolarHBondContact O-N 2.98Å; V154-I225 CarbonylContact C-O 3.58Å; V154-I225 WeakPolarHBondContact CA-O 2.83Å; V154-I225 HydrophobicContact CG2-CB 4.26Å; L155-I225 PolarHBondContact N-O 2.87Å; I225-Q244 HydrophobicContact CD1-CB 4.23Å; I225-G245 CarbonylContact C-O 3.56Å; I225-G245 VanDerWaalsContact CA-O 3.32Å; I225-G245 WeakPolarHBondContact CA-O 3.3Å; I225-I247 HydrophobicContact CG2-CD1 4.21Å; I225-I247 HydrophobicContact CG2-CG1 3.52Å
226I90.8Very high91.2Very high0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-92.4118.5-175.8-56.2-59.8000111.2L155 V157 I213 I224 I229 A238 V243 G245 I246 I247L155-I226 HydrophobicContact CB-CD1 4.09Å; L155-I226 HydrophobicContact CD2-CD1 3.87Å; L155-I226 HydrophobicContact CG-CD1 4.37Å; V157-I226 HydrophobicContact CB-CG2 4.45Å; V157-I226 HydrophobicContact CG1-CG2 3.86Å; V157-I226 HydrophobicContact CG2-CG2 3.66Å; I213-I226 HydrophobicContact CD1-CD1 3.61Å; I224-I226 HydrophobicContact CG2-CD1 3.83Å; I226-I229 HydrophobicContact CB-CD1 3.95Å; I226-I229 HydrophobicContact CG2-CD1 3.59Å; I226-I229 HydrophobicContact CG2-CG1 3.89Å; I226-A238 HydrophobicContact CG1-CB 4.49Å; I226-V243 HydrophobicContact CD1-CG1 3.98Å; I226-V243 HydrophobicContact CG1-CB 4.02Å; I226-V243 HydrophobicContact CG1-CG1 3.71Å; I226-V243 HydrophobicContact CG1-CG2 3.85Å; I226-G245 PolarHBondContact N-O 3.46Å; I226-I246 CarbonylContact O-C 3.57Å; I226-I246 WeakPolarHBondContact O-CA 3.06Å; I226-I247 PolarHBondContact O-N 3Å
227K90.9Very high90.9Very high2 Ų246.5 Ų46.51%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-106.5126.7-177.8170.2178.8-174.5-62.60113.4P77 V154 L155 T156 V157 I247 E277P77-K227 HydrophobicContact CG-CD 4.24Å; V154-K227 HydrophobicContact CG1-CB 3.66Å; V154-K227 HydrophobicContact CG1-CD 3.69Å; V154-K227 HydrophobicContact CG1-CG 4.33Å; L155-K227 PolarHBondContact O-N 3.17Å; T156-K227 WeakPolarHBondContact CA-O 3.01Å; T156-K227 HydrophobicContact CG2-CD 4.46Å; T156-K227 HydrophobicContact CG2-CG 4.45Å; V157-K227 WeakPolarHBondContact CG2-O 3.49Å; V157-K227 PolarHBondContact N-O 3.2Å; K227-I247 HydrophobicContact CB-CB 3.73Å; K227-I247 HydrophobicContact CB-CD1 4.4Å; K227-I247 HydrophobicContact CB-CG1 3.99Å; K227-I247 HydrophobicContact CB-CG2 4.18Å; K227-I247 HydrophobicContact CD-CG2 4.31Å; K227-I247 HydrophobicContact CG-CB 3.99Å; K227-I247 HydrophobicContact CG-CG2 3.85Å; K227-E277 WeakPolarHBondContact CE-OE1 3.39Å; K227-E277 WeakPolarHBondContact CE-OE2 3.25Å; K227-E277 VanDerWaalsContact NZ-CD 3.32Å; K227-E277 IonicContact NZ-OE1 2.61Å; K227-E277 PolarHBondContact NZ-OE1 3.03Å; K227-E277 IonicContact NZ-OE2 3.17Å; K227-E277 PolarHBondContact NZ-OE2 3.02Å
228G87.2Confident90.4Very high13 Ų1343.4 Ų43.413%0.13422%0.219CC..  trans118.65179.500000114.5D158 I247 S249D158-G228 WeakPolarHBondContact OD2-CA 3.18Å; G228-I247 PolarHBondContact N-O 3.4Å; G228-S249 CarbonylContact C-O 3.5Å; G228-S249 WeakPolarHBondContact CA-O 3.34Å
229I84.8Confident89.6Confident3 Ų341.4 Ų41.42%0.01520%0.202CC..  trans-76.2128.6179.5-69.3175.8000110W210 I226 D234 A235 A238 I246 V248 I268W210-I229 HydrophobicContact CH2-CD1 4.25Å; I226-I229 HydrophobicContact CB-CD1 3.95Å; I226-I229 HydrophobicContact CG2-CD1 3.59Å; I226-I229 HydrophobicContact CG2-CG1 3.89Å; I229-D234 HydrophobicContact CG1-CB 4.26Å; I229-D234 HydrophobicContact CG2-CB 4.13Å; I229-A235 HydrophobicContact CG2-CB 4.01Å; I229-A238 HydrophobicContact CD1-CB 3.7Å; I229-I246 HydrophobicContact CB-CG2 3.77Å; I229-I246 HydrophobicContact CD1-CD1 4.15Å; I229-I246 HydrophobicContact CD1-CG1 4.04Å; I229-I246 HydrophobicContact CD1-CG2 3.82Å; I229-I246 HydrophobicContact CG1-CG2 4.26Å; I229-I246 HydrophobicContact CG2-CG2 4.12Å; I229-V248 VanDerWaalsContact O-CA 3.31Å; I229-V248 WeakPolarHBondContact O-CA 3.1Å; I229-V248 VanDerWaalsContact O-CG1 3.31Å; I229-V248 WeakPolarHBondContact O-CG1 3.39Å; I229-I268 HydrophobicContact CG2-CD1 4.39Å
230L81.4Confident89.2Confident41 Ų4146.7 Ų46.722%0.21523%0.227CC..  trans-123.2-11.8177.2-67.2173.7000113.8V248 S249 N250 A265L230-V248 HydrophobicContact CD2-CG1 4.14Å; L230-S249 WeakPolarHBondContact CD2-O 3.32Å; L230-S249 WeakPolarHBondContact CG-O 3.43Å; L230-N250 HydrophobicContact CD1-CB 3.78Å; L230-N250 HydrophobicContact CD2-CB 4.11Å; L230-N250 HydrophobicContact CG-CB 4.5Å; L230-A265 WeakPolarHBondContact O-CB 3.5Å
231T85.1Confident89Confident50 Ų5047.2 Ų47.231%0.30723%0.228SC..SBendtrans-111.4162.9-172.371.30000110.8E233 D234 A235T231-E233 WeakPolarHBondContact CB-OE2 3.3Å; T231-D234 VanDerWaalsContact OG1-CB 3.27Å; T231-D234 WeakPolarHBondContact OG1-CB 2.79Å; T231-D234 PolarHBondContact OG1-N 3.33Å; T231-D234 PolarHBondContact OG1-OD2 3.42Å; T231-A235 PolarHBondContact O-N 2.87Å
232K82.3Confident88.6Confident73 Ų7337.8 Ų37.832%0.31720%0.203SC..Hα-helixtrans-73.1-40.4174.3174.3-178.5-178.9-78.80109.9A235 E236 H267K232-A235 WeakPolarHBondContact O-CB 3.36Å; K232-A235 PolarHBondContact O-N 2.83Å; K232-E236 WeakPolarHBondContact CE-OE1 3.38Å; K232-E236 HydrophobicContact CG-CG 4.44Å; K232-E236 IonicContact NZ-OE1 3.19Å; K232-E236 PolarHBondContact NZ-OE1 3.45Å; K232-E236 IonicContact NZ-OE2 2.79Å; K232-E236 PolarHBondContact NZ-OE2 3.23Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.45Å; K232-H267 HydrophobicContact CB-CB 4.08Å; K232-H267 HydrophobicContact CD-CB 3.77Å; K232-H267 HydrophobicContact CG-CB 4.14Å; K232-H267 WeakPolarHBondContact CG-O 3.25Å
233E89.6Confident88.1Confident119 Ų11937 Ų3756%0.55620%0.2SC*.Hα-helixtrans-61-48.5-175.2-61.771.3-15900110.4T231 A235 E236 L237T231-E233 WeakPolarHBondContact CB-OE2 3.3Å; E233-A235 VanDerWaalsContact C-N 3.31Å; E233-A235 PolarHBondContact O-N 3.43Å; E233-E236 PolarHBondContact O-N 2.95Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 3.22Å
234D90.9Very high87.7Confident60 Ų6039.1 Ų39.132%0.32121%0.206SC..Hα-helixtrans-70.5-30.1176.9-65.1-47.2000112.2W210 I229 T231 L237 A238W210-D234 HydrophobicContact CH2-CB 4.44Å; W210-D234 WeakPolarHBondContact CH2-O 3.41Å; W210-D234 HydrophobicContact CZ2-CB 3.94Å; I229-D234 HydrophobicContact CG1-CB 4.26Å; I229-D234 HydrophobicContact CG2-CB 4.13Å; T231-D234 VanDerWaalsContact OG1-CB 3.27Å; T231-D234 WeakPolarHBondContact OG1-CB 2.79Å; T231-D234 PolarHBondContact OG1-N 3.33Å; T231-D234 PolarHBondContact OG1-OD2 3.42Å; D234-L237 PolarHBondContact O-N 3.04Å; D234-A238 WeakPolarHBondContact O-CB 3.4Å; D234-A238 PolarHBondContact O-N 3Å
235A81.8Confident87Confident0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-66.5-42.3172.500000111.7I229 T231 K232 E233 L237 A238 V239 I246 I268I229-A235 HydrophobicContact CG2-CB 4.01Å; T231-A235 PolarHBondContact O-N 2.87Å; K232-A235 WeakPolarHBondContact O-CB 3.36Å; K232-A235 PolarHBondContact O-N 2.83Å; E233-A235 VanDerWaalsContact C-N 3.31Å; E233-A235 PolarHBondContact O-N 3.43Å; A235-L237 VanDerWaalsContact C-N 3.33Å; A235-A238 WeakPolarHBondContact O-CB 2.91Å; A235-A238 PolarHBondContact O-N 3.45Å; A235-V239 VanDerWaalsContact O-CG2 3.3Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 3.47Å; A235-V239 VanDerWaalsContact O-N 3.12Å; A235-I246 HydrophobicContact CB-CD1 3.89Å; A235-I268 HydrophobicContact CB-CB 4.27Å; A235-I268 HydrophobicContact CB-CG1 4.12Å; A235-I268 HydrophobicContact CB-CG2 3.56Å
236E84.4Confident86.4Confident72 Ų7239 Ų3934%0.33621%0.205SC..Hα-helixtrans-62.2-41.6175.6-72176.7145.900110.9K232 E233 A238 V239 E240K232-E236 WeakPolarHBondContact CE-OE1 3.38Å; K232-E236 HydrophobicContact CG-CG 4.44Å; K232-E236 IonicContact NZ-OE1 3.19Å; K232-E236 PolarHBondContact NZ-OE1 3.45Å; K232-E236 IonicContact NZ-OE2 2.79Å; K232-E236 PolarHBondContact NZ-OE2 3.23Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.45Å; E233-E236 PolarHBondContact O-N 2.95Å; E236-A238 PolarHBondContact O-N 3.28Å; E236-V239 WeakPolarHBondContact O-CB 3.34Å; E236-V239 PolarHBondContact O-N 3.14Å; E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.26Å
237L92.7Very high85.8Confident52 Ų5239 Ų3927%0.27221%0.205SC..Hα-helixtrans-61.2-42.9173.4-70.5169.8000112.4W210 E233 D234 A235 V239 E240 H241W210-L237 HydrophobicContact CD2-CB 3.94Å; W210-L237 HydrophobicContact CD2-CD1 4.5Å; W210-L237 HydrophobicContact CE3-CB 4.21Å; W210-L237 HydrophobicContact CH2-CB 3.9Å; W210-L237 HydrophobicContact CZ2-CB 3.59Å; W210-L237 HydrophobicContact CZ2-CD1 4.08Å; W210-L237 HydrophobicContact CZ2-CG 4.48Å; W210-L237 HydrophobicContact CZ3-CB 4.21Å; W210-L237 VanDerWaalsContact NE1-CD1 3.34Å; E233-L237 WeakPolarHBondContact O-CG 3.48Å; E233-L237 PolarHBondContact O-N 3.22Å; D234-L237 PolarHBondContact O-N 3.04Å; A235-L237 VanDerWaalsContact C-N 3.33Å; L237-V239 VanDerWaalsContact C-N 3.25Å; L237-V239 PolarHBondContact O-N 3.1Å; L237-E240 PolarHBondContact O-N 2.85Å; L237-H241 PolarHBondContact O-N 2.85Å; L237-H241 PolarHBondContact O-ND1 3.12Å
238A86.9Confident85.3Confident0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-57.9-40.717600000112W210 I226 I229 D234 A235 E236 H241 G242 V243 I246W210-A238 HydrophobicContact CH2-CB 3.96Å; W210-A238 HydrophobicContact CZ3-CB 3.93Å; I226-A238 HydrophobicContact CG1-CB 4.49Å; I229-A238 HydrophobicContact CD1-CB 3.7Å; D234-A238 WeakPolarHBondContact O-CB 3.4Å; D234-A238 PolarHBondContact O-N 3Å; A235-A238 WeakPolarHBondContact O-CB 2.91Å; A235-A238 PolarHBondContact O-N 3.45Å; E236-A238 PolarHBondContact O-N 3.28Å; A238-H241 PolarHBondContact O-N 2.84Å; A238-G242 PolarHBondContact O-N 3.33Å; A238-V243 HydrophobicContact CB-CG2 3.83Å; A238-V243 WeakPolarHBondContact O-CG2 3.22Å; A238-V243 PolarHBondContact O-N 3.29Å; A238-I246 HydrophobicContact CB-CD1 3.87Å; A238-I246 HydrophobicContact CB-CG1 4.06Å
239V80.6Confident85.1Confident49 Ų4938.2 Ų38.230%0.29720%0.199SC..Hα-helixtrans-63.8-48.7175.1174.60000111.7A235 E236 L237 H241 G242 F272A235-V239 VanDerWaalsContact O-CG2 3.3Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 3.47Å; A235-V239 VanDerWaalsContact O-N 3.12Å; E236-V239 WeakPolarHBondContact O-CB 3.34Å; E236-V239 PolarHBondContact O-N 3.14Å; L237-V239 VanDerWaalsContact C-N 3.25Å; L237-V239 PolarHBondContact O-N 3.1Å; V239-H241 PolarHBondContact O-N 3.23Å; V239-G242 PolarHBondContact O-N 3.25Å; V239-F272 HydrophobicContact CB-CE1 4.15Å; V239-F272 HydrophobicContact CB-CE2 4.07Å; V239-F272 HydrophobicContact CB-CZ 3.76Å; V239-F272 HydrophobicContact CG1-CE1 3.93Å; V239-F272 HydrophobicContact CG1-CE2 3.78Å; V239-F272 HydrophobicContact CG1-CZ 3.23Å; V239-F272 HydrophobicContact CG2-CD1 3.87Å; V239-F272 HydrophobicContact CG2-CD2 3.47Å; V239-F272 VanDerWaalsContact CG2-CD2 3.47Å; V239-F272 HydrophobicContact CG2-CE1 3.53Å; V239-F272 HydrophobicContact CG2-CE2 3.12Å; V239-F272 HydrophobicContact CG2-CG 3.86Å; V239-F272 HydrophobicContact CG2-CZ 3.18Å
240E90.4Very high85.1Confident137 Ų13738.5 Ų38.564%0.6420%0.2SC*.Hα-helixtrans-58.5-33.7179.3-72.1172.9-171.100112.1E236 L237 G242E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.26Å; L237-E240 PolarHBondContact O-N 2.85Å; E240-G242 VanDerWaalsContact C-N 3.26Å; E240-G242 PolarHBondContact O-N 3.22Å
241H94.7Very high85.6Confident25 Ų2537.3 Ų37.312%0.11619%0.193CC..THydrogen-bonded Turntrans-855.4177.5-67.773.6000113.5W210 I213 Y214 Q217 L237 A238 V239 V243W210-H241 PolarHBondContact O-CD2 3.28Å; I213-H241 HydrophobicContact CB-CB 4.3Å; I213-H241 HydrophobicContact CG2-CB 4Å; Y214-H241 AromaticContact CE2-CD2 3.45Å; Y214-H241 VanDerWaalsContact CE2-CD2 3.45Å; Y214-H241 WeakPolarHBondContact CE2-CD2 3.3Å; Y214-H241 AromaticContact CE2-NE2 3.76Å; Y214-H241 AromaticContact CZ-CD2 3.5Å; Y214-H241 PolarHBondContact OH-CD2 3.25Å; Q217-H241 PolarHBondContact NE2-O 2.79Å; L237-H241 PolarHBondContact O-N 2.85Å; L237-H241 PolarHBondContact O-ND1 3.12Å; A238-H241 PolarHBondContact O-N 2.84Å; V239-H241 PolarHBondContact O-N 3.23Å; H241-V243 PolarHBondContact O-N 3.19Å
242G87.9Confident85.6Confident35 Ų3534.9 Ų34.936%0.36118%0.179SC..THydrogen-bonded Turntrans68.833.3170.400000114.6A238 V239 E240 Q244A238-G242 PolarHBondContact O-N 3.33Å; V239-G242 PolarHBondContact O-N 3.25Å; E240-G242 VanDerWaalsContact C-N 3.26Å; E240-G242 PolarHBondContact O-N 3.22Å; G242-Q244 PolarHBondContact O-NE2 3.09Å
243V87Confident85.9Confident7 Ų731.4 Ų31.44%0.04216%0.163CC..  trans-77.7154.6173.4-47.50000111I213 I224 I226 A238 H241 G245I213-V243 HydrophobicContact CG2-CG1 3.86Å; I224-V243 HydrophobicContact CG2-CG1 4.42Å; I226-V243 HydrophobicContact CD1-CG1 3.98Å; I226-V243 HydrophobicContact CG1-CB 4.02Å; I226-V243 HydrophobicContact CG1-CG1 3.71Å; I226-V243 HydrophobicContact CG1-CG2 3.85Å; A238-V243 HydrophobicContact CB-CG2 3.83Å; A238-V243 WeakPolarHBondContact O-CG2 3.22Å; A238-V243 PolarHBondContact O-N 3.29Å; H241-V243 PolarHBondContact O-N 3.19Å; V243-G245 WeakPolarHBondContact CG2-O 2.79Å
244Q85.3Confident86.1Confident80 Ų8026.5 Ų26.537%0.37414%0.14SC..SBendtrans-91.6-10.8-172.1-70.966.646.200113.2P223 I224 I225 G242P223-Q244 HydrophobicContact CB-CB 3.8Å; P223-Q244 HydrophobicContact CB-CG 3.89Å; I224-Q244 PolarHBondContact O-N 3.32Å; I225-Q244 HydrophobicContact CD1-CB 4.23Å; G242-Q244 PolarHBondContact O-NE2 3.09Å
245G80.6Confident86.3Confident0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-170.3171.8174.400000113.1I224 I225 I226 V243 I273I224-G245 PolarHBondContact O-N 3.42Å; I225-G245 CarbonylContact C-O 3.56Å; I225-G245 VanDerWaalsContact CA-O 3.32Å; I225-G245 WeakPolarHBondContact CA-O 3.3Å; I226-G245 PolarHBondContact N-O 3.46Å; V243-G245 WeakPolarHBondContact CG2-O 2.79Å; G245-I273 WeakPolarHBondContact CA-O 3.39Å
246I78.4Confident86.9Confident0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-132.6131.2-179.2-65.6172.8000107.8I226 I229 A235 A238 V248 I268 I273 L274 E275I226-I246 CarbonylContact O-C 3.57Å; I226-I246 WeakPolarHBondContact O-CA 3.06Å; I229-I246 HydrophobicContact CB-CG2 3.77Å; I229-I246 HydrophobicContact CD1-CD1 4.15Å; I229-I246 HydrophobicContact CD1-CG1 4.04Å; I229-I246 HydrophobicContact CD1-CG2 3.82Å; I229-I246 HydrophobicContact CG1-CG2 4.26Å; I229-I246 HydrophobicContact CG2-CG2 4.12Å; A235-I246 HydrophobicContact CB-CD1 3.89Å; A238-I246 HydrophobicContact CB-CD1 3.87Å; A238-I246 HydrophobicContact CB-CG1 4.06Å; I246-V248 HydrophobicContact CG2-CG2 4.32Å; I246-I268 HydrophobicContact CD1-CG2 4.48Å; I246-I273 PolarHBondContact N-O 2.67Å; I246-L274 HydrophobicContact CB-CD2 3.59Å; I246-L274 HydrophobicContact CD1-CD2 4.46Å; I246-L274 HydrophobicContact CG2-CD2 3.54Å; I246-L274 CarbonylContact O-C 3.46Å; I246-L274 WeakPolarHBondContact O-CA 2.89Å; I246-E275 PolarHBondContact O-N 3.35Å
247I79.1Confident87.4Confident0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-98.2108165.5-44.9-149.1000109.7I104 V154 I225 I226 K227 G228 S249 E275 E277I104-I247 HydrophobicContact CD1-CD1 3.8Å; V154-I247 HydrophobicContact CG1-CD1 3.54Å; V154-I247 HydrophobicContact CG1-CG1 4.12Å; V154-I247 HydrophobicContact CG2-CD1 4.25Å; I225-I247 HydrophobicContact CG2-CD1 4.21Å; I225-I247 HydrophobicContact CG2-CG1 3.52Å; I226-I247 PolarHBondContact O-N 3Å; K227-I247 HydrophobicContact CB-CB 3.73Å; K227-I247 HydrophobicContact CB-CD1 4.4Å; K227-I247 HydrophobicContact CB-CG1 3.99Å; K227-I247 HydrophobicContact CB-CG2 4.18Å; K227-I247 HydrophobicContact CD-CG2 4.31Å; K227-I247 HydrophobicContact CG-CB 3.99Å; K227-I247 HydrophobicContact CG-CG2 3.85Å; G228-I247 PolarHBondContact N-O 3.4Å; I247-S249 PolarHBondContact O-N 2.85Å; I247-S249 VanDerWaalsContact O-N 3.09Å; I247-E275 CarbonylContact C-O 3.57Å; I247-E275 WeakPolarHBondContact CA-O 3.47Å; I247-E275 HydrophobicContact CB-CB 4.26Å; I247-E275 WeakPolarHBondContact CB-O 3.16Å; I247-E275 HydrophobicContact CD1-CB 3.94Å; I247-E275 VanDerWaalsContact CD1-OE2 3.32Å; I247-E275 WeakPolarHBondContact CD1-OE2 3.15Å; I247-E275 HydrophobicContact CG1-CB 3.77Å; I247-E275 WeakPolarHBondContact CG2-O 3.45Å; I247-E277 HydrophobicContact CG2-CB 3.56Å
248V79.4Confident87.3Confident0 Ų029.7 Ų29.70%017%0.174CC..  trans-74.4105.7174.7-1740000108.4I229 L230 I246 A265 I268 L274 E275 K276 E277I229-V248 VanDerWaalsContact O-CA 3.31Å; I229-V248 WeakPolarHBondContact O-CA 3.1Å; I229-V248 VanDerWaalsContact O-CG1 3.31Å; I229-V248 WeakPolarHBondContact O-CG1 3.39Å; L230-V248 HydrophobicContact CD2-CG1 4.14Å; I246-V248 HydrophobicContact CG2-CG2 4.32Å; V248-A265 HydrophobicContact CG1-CB 3.61Å; V248-I268 HydrophobicContact CB-CD1 4.31Å; V248-I268 HydrophobicContact CG1-CD1 4.01Å; V248-I268 HydrophobicContact CG2-CD1 3.36Å; V248-L274 HydrophobicContact CG2-CB 4.43Å; V248-L274 HydrophobicContact CG2-CD2 3.4Å; V248-L274 VanDerWaalsContact CG2-CD2 3.4Å; V248-L274 HydrophobicContact CG2-CG 4.5Å; V248-E275 PolarHBondContact N-O 3.09Å; V248-K276 HydrophobicContact CB-CB 4.43Å; V248-K276 HydrophobicContact CB-CD 3.66Å; V248-K276 HydrophobicContact CB-CG 3.71Å; V248-K276 HydrophobicContact CG1-CD 3.97Å; V248-K276 HydrophobicContact CG2-CD 4.2Å; V248-K276 HydrophobicContact CG2-CG 4.11Å; V248-K276 WeakPolarHBondContact O-CA 3.25Å; V248-E277 PolarHBondContact O-N 3.03Å
249S82.8Confident87.3Confident0 Ų030.5 Ų30.50%018%0.182CC..  trans-142.1143.6-174.3-1730000109.7G228 L230 I247 H251 E277G228-S249 CarbonylContact C-O 3.5Å; G228-S249 WeakPolarHBondContact CA-O 3.34Å; L230-S249 WeakPolarHBondContact CD2-O 3.32Å; L230-S249 WeakPolarHBondContact CG-O 3.43Å; I247-S249 PolarHBondContact O-N 2.85Å; I247-S249 VanDerWaalsContact O-N 3.09Å; S249-H251 WeakPolarHBondContact OG-CA 3.46Å; S249-H251 PolarHBondContact OG-N 3.21Å; S249-E277 PolarHBondContact OG-OE2 3.01Å
250N86.4Confident87.6Confident9 Ų931.2 Ų31.25%0.04819%0.188CC..  trans-107.125.8163.555.821.4000110.4T34 N38 L230 G252 G253 P260 S262T34-N250 HydrophobicContact CG2-CB 4.2Å; T34-N250 WeakPolarHBondContact CG2-ND2 3.35Å; N38-N250 PolarHBondContact ND2-ND2 2.92Å; N38-N250 PolarHBondContact ND2-OD1 2.86Å; N38-N250 PolarHBondContact OD1-ND2 3.42Å; L230-N250 HydrophobicContact CD1-CB 3.78Å; L230-N250 HydrophobicContact CD2-CB 4.11Å; L230-N250 HydrophobicContact CG-CB 4.5Å; N250-G252 PolarHBondContact O-N 3.45Å; N250-G252 WeakPolarHBondContact OD1-CA 3.27Å; N250-G252 PolarHBondContact OD1-N 3.26Å; N250-G252 VanDerWaalsContact OD1-N 3.08Å; N250-G253 PolarHBondContact O-N 3.43Å; N250-G253 PolarHBondContact OD1-N 2.95Å; N250-P260 PolarHBondContact ND2-O 3.03Å; N250-S262 PolarHBondContact ND2-N 3.43Å
251H90.6Very high87.2Confident15 Ų1524.7 Ų24.77%0.06916%0.157CC..THydrogen-bonded Turntrans52.519.3-172.1-137.9102.2000113.7Y130 D158 V159 S249 R254 Q255Y130-H251 PolarHBondContact OH-CE1 3.14Å; Y130-H251 VanDerWaalsContact OH-CE1 3.29Å; D158-H251 IonicContact OD1-CE1 3.54Å; D158-H251 IonicContact OD1-CG 2.72Å; D158-H251 IonicContact OD1-ND1 2.71Å; D158-H251 PolarHBondContact OD1-ND1 2.82Å; D158-H251 WeakPolarHBondContact OD2-CB 3.23Å; D158-H251 IonicContact OD2-CG 3.39Å; D158-H251 PolarHBondContact OD2-N 3.18Å; D158-H251 IonicContact OD2-ND1 3.3Å; D158-H251 PolarHBondContact OD2-ND1 3.11Å; V159-H251 WeakPolarHBondContact CG2-CE1 3.3Å; V159-H251 WeakPolarHBondContact CG2-ND1 3.34Å; S249-H251 WeakPolarHBondContact OG-CA 3.46Å; S249-H251 PolarHBondContact OG-N 3.21Å; H251-R254 VanDerWaalsContact O-CB 3.26Å; H251-R254 WeakPolarHBondContact O-CB 3.39Å; H251-R254 WeakPolarHBondContact O-CD 3.25Å; H251-R254 VanDerWaalsContact O-CG 3.31Å; H251-R254 WeakPolarHBondContact O-CG 3.3Å; H251-R254 PolarHBondContact O-N 2.98Å; H251-Q255 HydrophobicContact CB-CB 4.18Å; H251-Q255 HydrophobicContact CB-CG 3.39Å
252G85.8Confident86.4Confident0 Ų023.7 Ų23.70%015%0.153CC..THydrogen-bonded Turntrans82.524.5-176.600000117.8N250 R254N250-G252 PolarHBondContact O-N 3.45Å; N250-G252 WeakPolarHBondContact OD1-CA 3.27Å; N250-G252 PolarHBondContact OD1-N 3.26Å; N250-G252 VanDerWaalsContact OD1-N 3.08Å; G252-R254 PolarHBondContact O-N 2.73Å
253G89.6Confident85.8Confident0 Ų022.3 Ų22.30%014%0.138CC..THydrogen-bonded Turntrans64.227.9-169.200000111.2G28 A29 N250G28-G253 CarbonylContact C-O 3.48Å; G28-G253 VanDerWaalsContact CA-O 3.3Å; G28-G253 WeakPolarHBondContact CA-O 3.42Å; A29-G253 PolarHBondContact N-O 3.4Å; N250-G253 PolarHBondContact O-N 3.43Å; N250-G253 PolarHBondContact OD1-N 2.95Å
254R92.6Very high85.2Confident15 Ų1524.7 Ų24.76%0.05715%0.148CC..THydrogen-bonded Turntrans-98.1-2.9176.6-62.2174.56584.7-11.4113.5Y24 Y25 A27 R165 H251 G252Y24-R254 PolarHBondContact O-NH1 2.97Å; Y24-R254 PolarHBondContact O-NH2 2.86Å; Y25-R254 PolarHBondContact O-NH1 2.84Å; A27-R254 WeakPolarHBondContact O-CG 3.28Å; A27-R254 PolarHBondContact O-NH1 2.91Å; R165-R254 VanDerWaalsContact CZ-NH2 3.35Å; H251-R254 VanDerWaalsContact O-CB 3.26Å; H251-R254 WeakPolarHBondContact O-CB 3.39Å; H251-R254 WeakPolarHBondContact O-CD 3.25Å; H251-R254 VanDerWaalsContact O-CG 3.31Å; H251-R254 WeakPolarHBondContact O-CG 3.3Å; H251-R254 PolarHBondContact O-N 2.98Å; G252-R254 PolarHBondContact O-N 2.73Å
255Q94.3Very high84.3Confident18 Ų1821 Ų218%0.08413%0.132CC..SBendtrans-114.5-100.7-179.3-62.1-62-20.100110.2A29 D158 V159 Y161 H251A29-Q255 WeakPolarHBondContact CB-O 3.21Å; D158-Q255 WeakPolarHBondContact O-CG 3.44Å; V159-Q255 HydrophobicContact CG2-CG 4.05Å; Y161-Q255 PolarHBondContact O-OE1 3.08Å; Y161-Q255 VanDerWaalsContact O-OE1 3.11Å; H251-Q255 HydrophobicContact CB-CB 4.18Å; H251-Q255 HydrophobicContact CB-CG 3.39Å
256L94.6Very high83.2Confident139 Ų13927 Ų2773%0.72816%0.158SC*.SBendtrans-82.6114.9176-178.664000111
257D95.6Very high82.3Confident29 Ų2933 Ų3316%0.15519%0.185CC..THydrogen-bonded Turntrans-82.1150.8172.6-161.524.8000111.8A29 D30 E31 C32 C33 T34 G259A29-D257 HydrophobicContact CB-CB 4.16Å; D30-D257 HydrophobicContact CB-CB 4.03Å; E31-D257 PolarHBondContact N-OD2 2.8Å; E31-D257 VanDerWaalsContact N-OD2 3.08Å; C32-D257 PolarHBondContact N-OD2 3.49Å; C33-D257 WeakPolarHBondContact CA-OD1 3.27Å; C33-D257 WeakPolarHBondContact CB-OD1 3.49Å; C33-D257 PolarHBondContact N-OD1 3.49Å; C33-D257 PolarHBondContact N-OD2 3.03Å; C33-D257 VanDerWaalsContact N-OD2 3.12Å; T34-D257 PolarHBondContact N-OD1 2.94Å; T34-D257 PolarHBondContact OG1-OD1 3.23Å; D257-G259 VanDerWaalsContact C-N 3.28Å
258G91.5Very high81.3Confident66 Ų6633.1 Ų33.168%0.6819%0.186SC*.THydrogen-bonded Turntrans83.5-2.6-17300000114.6T34T34-G258 PolarHBondContact OG1-N 3.28Å
259G86.9Confident79.9Confident17 Ų1735 Ų3518%0.17520%0.198CC..PPolyproline II helixtrans-71.6165.317000000113.1T34 D257T34-G259 WeakPolarHBondContact CG2-O 3.36Å; T34-G259 PolarHBondContact OG1-N 3.1Å; T34-G259 PolarHBondContact OG1-O 3.15Å; D257-G259 VanDerWaalsContact C-N 3.28Å
260P85.1Confident78.1Confident64 Ų6440.1 Ų40.142%0.41622%0.222SC..PPolyproline II helixtrans-68.1150.1-177.529.6-35.4000112.1N250 S262N250-P260 PolarHBondContact ND2-O 3.03Å; P260-S262 PolarHBondContact O-N 2.84Å
261A83.4Confident75.7Confident0 Ų047 Ų470%026%0.258CS..PPolyproline II helixtrans-55.5138.7163.400000110.7N38 A41 V263 H264N38-A261 VanDerWaalsContact OD1-CA 3.24Å; N38-A261 WeakPolarHBondContact OD1-CA 3.37Å; A41-A261 HydrophobicContact CB-CB 3.5Å; A261-V263 HydrophobicContact CB-CG1 4.29Å; A261-V263 PolarHBondContact O-N 2.92Å; A261-V263 VanDerWaalsContact O-N 3.1Å; A261-H264 WeakPolarHBondContact O-CA 3.21Å; A261-H264 WeakPolarHBondContact O-CB 3.4Å; A261-H264 PolarHBondContact O-N 3.49Å
262S77.6Confident73.4Confident4 Ų448.5 Ų48.53%0.02827%0.265CS..G310 helixtrans-60-30.1-17465.90000113N38 N250 P260 H264 A265 K276N38-S262 PolarHBondContact OD1-N 3.1Å; N250-S262 PolarHBondContact ND2-N 3.43Å; P260-S262 PolarHBondContact O-N 2.84Å; S262-H264 VanDerWaalsContact C-N 3.25Å; S262-H264 PolarHBondContact O-N 3.09Å; S262-A265 PolarHBondContact O-N 3.37Å; S262-K276 PolarHBondContact O-NZ 2.84Å
263V74.9Confident71.3Confident6 Ų650 Ų504%0.03627%0.273CS..G310 helixtrans-66.8-25.1174.772.50000113.1A41 Y42 I45 A261A41-V263 HydrophobicContact CB-CG1 3.32Å; Y42-V263 HydrophobicContact CD1-CG2 4.23Å; Y42-V263 HydrophobicContact CE1-CB 3.98Å; Y42-V263 HydrophobicContact CE1-CG2 3.51Å; Y42-V263 HydrophobicContact CE2-CB 4.09Å; Y42-V263 HydrophobicContact CE2-CG1 4.37Å; I45-V263 HydrophobicContact CD1-CG2 3.64Å; A261-V263 HydrophobicContact CB-CG1 4.29Å; A261-V263 PolarHBondContact O-N 2.92Å; A261-V263 VanDerWaalsContact O-N 3.1Å
264H74.7Confident68.8Low57 Ų5750.3 Ų50.326%0.26427%0.274SS..G310 helixtrans-86.9-8.9178.7-68.4170000114.2R44 A261 S262 K266R44-H264 PolarHBondContact NH2-CE1 3.06Å; A261-H264 WeakPolarHBondContact O-CA 3.21Å; A261-H264 WeakPolarHBondContact O-CB 3.4Å; A261-H264 PolarHBondContact O-N 3.49Å; S262-H264 VanDerWaalsContact C-N 3.25Å; S262-H264 PolarHBondContact O-N 3.09Å; H264-K266 WeakPolarHBondContact O-CG 3.3Å; H264-K266 PolarHBondContact O-N 3.41Å
265A65.9Low66.3Low3 Ų349.6 Ų49.63%0.02527%0.271CS..  trans-58.2101.8171.700000109.4L230 V248 S262 I268L230-A265 WeakPolarHBondContact O-CB 3.5Å; V248-A265 HydrophobicContact CG1-CB 3.61Å; S262-A265 PolarHBondContact O-N 3.37Å; A265-I268 HydrophobicContact CB-CD1 4.26Å
266K58.8Low63.7Low125 Ų12549 Ų4954%0.54327%0.269SS..  trans-90.8156.6-177.3-66.9175.4-173.71700109.3H264 I268H264-K266 WeakPolarHBondContact O-CG 3.3Å; H264-K266 PolarHBondContact O-N 3.41Å; K266-I268 PolarHBondContact O-N 3.29Å
267H58.4Low60.9Low125 Ų12542.5 Ų42.558%0.57923%0.234SC*.  trans70.512.1167.6-43102.7000118.8K232K232-H267 HydrophobicContact CB-CB 4.08Å; K232-H267 HydrophobicContact CD-CB 3.77Å; K232-H267 HydrophobicContact CG-CB 4.14Å; K232-H267 WeakPolarHBondContact CG-O 3.25Å
268I57.6Low58Low3 Ų341.5 Ų41.52%0.01523%0.229CC..  trans-65.2134.9165-55.9173.1000108.6I229 A235 I246 V248 A265 K266 L274 Y299I229-I268 HydrophobicContact CG2-CD1 4.39Å; A235-I268 HydrophobicContact CB-CB 4.27Å; A235-I268 HydrophobicContact CB-CG1 4.12Å; A235-I268 HydrophobicContact CB-CG2 3.56Å; I246-I268 HydrophobicContact CD1-CG2 4.48Å; V248-I268 HydrophobicContact CB-CD1 4.31Å; V248-I268 HydrophobicContact CG1-CD1 4.01Å; V248-I268 HydrophobicContact CG2-CD1 3.36Å; A265-I268 HydrophobicContact CB-CD1 4.26Å; K266-I268 PolarHBondContact O-N 3.29Å; I268-L274 HydrophobicContact CB-CD1 4.2Å; I268-L274 HydrophobicContact CB-CD2 4.27Å; I268-L274 HydrophobicContact CD1-CD2 4.31Å; I268-L274 HydrophobicContact CG2-CD1 3.57Å; I268-L274 HydrophobicContact CG2-CD2 3.36Å; I268-L274 HydrophobicContact CG2-CG 4.09Å; I268-Y299 HydrophobicContact CB-CE1 4.26Å; I268-Y299 WeakPolarHBondContact O-CE1 3.22Å; I268-Y299 PolarHBondContact O-OH 2.82Å
269P50.3Low55.1Low39 Ų3938.9 Ų38.925%0.25320%0.2SC..  trans-64.2145-173.8-2232.4000113.8N271 F272 L274P269-N271 PolarHBondContact O-N 2.64Å; P269-F272 HydrophobicContact CB-CD2 4.14Å; P269-F272 HydrophobicContact CB-CE2 4.46Å; P269-L274 WeakPolarHBondContact O-CD1 3.35Å
270H46.3Very low52.7Low109 Ų10938.6 Ų38.651%0.50519%0.194SC..THydrogen-bonded Turntrans-69.7-14.3-176.5-67.5-68.3000115F272 R298H270-F272 VanDerWaalsContact C-N 3.34Å; H270-R298 PolarHBondContact CE1-O 2.63Å; H270-R298 PolarHBondContact ND1-O 3.32Å
271N36.2Very low50Low152 Ų15235.8 Ų35.881%0.81318%0.176SC*.THydrogen-bonded Turntrans-88.73.5-173.1-66.5-9.4000114P269P269-N271 PolarHBondContact O-N 2.64Å
272F42.1Very low47.5Very low48 Ų4840.6 Ų40.621%0.21119%0.194CC..SBendtrans-114.3144.7-180-66.7-83.5000110.9V239 P269 H270 L274V239-F272 HydrophobicContact CB-CE1 4.15Å; V239-F272 HydrophobicContact CB-CE2 4.07Å; V239-F272 HydrophobicContact CB-CZ 3.76Å; V239-F272 HydrophobicContact CG1-CE1 3.93Å; V239-F272 HydrophobicContact CG1-CE2 3.78Å; V239-F272 HydrophobicContact CG1-CZ 3.23Å; V239-F272 HydrophobicContact CG2-CD1 3.87Å; V239-F272 HydrophobicContact CG2-CD2 3.47Å; V239-F272 VanDerWaalsContact CG2-CD2 3.47Å; V239-F272 HydrophobicContact CG2-CE1 3.53Å; V239-F272 HydrophobicContact CG2-CE2 3.12Å; V239-F272 HydrophobicContact CG2-CG 3.86Å; V239-F272 HydrophobicContact CG2-CZ 3.18Å; P269-F272 HydrophobicContact CB-CD2 4.14Å; P269-F272 HydrophobicContact CB-CE2 4.46Å; H270-F272 VanDerWaalsContact C-N 3.34Å; F272-L274 PolarHBondContact O-N 2.92Å
273I40.2Very low45.2Very low32 Ų3240.9 Ų40.916%0.16420%0.195CC..EExtended strand (participates in β ladder)trans-64.5106.6174.2-58.9178.6000106.5Q65 G245 I246 E275Q65-I273 VanDerWaalsContact CD-CD1 3.48Å; Q65-I273 HydrophobicContact CG-CD1 3.81Å; G245-I273 WeakPolarHBondContact CA-O 3.39Å; I246-I273 PolarHBondContact N-O 2.67Å; I273-E275 HydrophobicContact CG2-CG 3.77Å
274L38.5Very low43.2Very low5 Ų541.6 Ų41.63%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-104.192.8179.3-70.9148.6000108.9I246 V248 I268 P269 F272 K276 Y299I246-L274 HydrophobicContact CB-CD2 3.59Å; I246-L274 HydrophobicContact CD1-CD2 4.46Å; I246-L274 HydrophobicContact CG2-CD2 3.54Å; I246-L274 CarbonylContact O-C 3.46Å; I246-L274 WeakPolarHBondContact O-CA 2.89Å; V248-L274 HydrophobicContact CG2-CB 4.43Å; V248-L274 HydrophobicContact CG2-CD2 3.4Å; V248-L274 VanDerWaalsContact CG2-CD2 3.4Å; V248-L274 HydrophobicContact CG2-CG 4.5Å; I268-L274 HydrophobicContact CB-CD1 4.2Å; I268-L274 HydrophobicContact CB-CD2 4.27Å; I268-L274 HydrophobicContact CD1-CD2 4.31Å; I268-L274 HydrophobicContact CG2-CD1 3.57Å; I268-L274 HydrophobicContact CG2-CD2 3.36Å; I268-L274 HydrophobicContact CG2-CG 4.09Å; P269-L274 WeakPolarHBondContact O-CD1 3.35Å; F272-L274 PolarHBondContact O-N 2.92Å; L274-K276 PolarHBondContact O-N 3.36Å; L274-Y299 HydrophobicContact CB-CD1 4.35Å; L274-Y299 HydrophobicContact CB-CD2 4.08Å; L274-Y299 HydrophobicContact CB-CG 3.72Å; L274-Y299 HydrophobicContact CD1-CD1 2.94Å; L274-Y299 HydrophobicContact CD1-CD2 3.97Å; L274-Y299 HydrophobicContact CD1-CE1 3.49Å; L274-Y299 VanDerWaalsContact CD1-CE1 3.49Å; L274-Y299 HydrophobicContact CD1-CE2 4.38Å; L274-Y299 HydrophobicContact CD1-CG 3.23Å; L274-Y299 HydrophobicContact CG-CD1 4.2Å; L274-Y299 HydrophobicContact CG-CG 4.07Å
275E40.5Very low41.1Very low0 Ų044.8 Ų44.80%021%0.214CC..  trans-84.988.5176-66.4-156.4149.600109V64 W126 I246 I247 V248 I273 E277 C302 F304V64-E275 WeakPolarHBondContact CG1-OE1 3.22Å; W126-E275 WeakPolarHBondContact CH2-OE1 3.49Å; W126-E275 HydrophobicContact CZ3-CG 4.43Å; W126-E275 WeakPolarHBondContact CZ3-OE1 3.18Å; W126-E275 WeakPolarHBondContact CZ3-OE2 3.43Å; I246-E275 PolarHBondContact O-N 3.35Å; I247-E275 CarbonylContact C-O 3.57Å; I247-E275 WeakPolarHBondContact CA-O 3.47Å; I247-E275 HydrophobicContact CB-CB 4.26Å; I247-E275 WeakPolarHBondContact CB-O 3.16Å; I247-E275 HydrophobicContact CD1-CB 3.94Å; I247-E275 VanDerWaalsContact CD1-OE2 3.32Å; I247-E275 WeakPolarHBondContact CD1-OE2 3.15Å; I247-E275 HydrophobicContact CG1-CB 3.77Å; I247-E275 WeakPolarHBondContact CG2-O 3.45Å; V248-E275 PolarHBondContact N-O 3.09Å; I273-E275 HydrophobicContact CG2-CG 3.77Å; E275-E277 PolarHBondContact O-N 3.22Å; E275-C302 WeakPolarHBondContact CA-O 3.1Å; E275-F304 HydrophobicContact CB-CD2 3.7Å; E275-F304 HydrophobicContact CB-CE2 3.53Å; E275-F304 HydrophobicContact CG-CD2 4.22Å; E275-F304 HydrophobicContact CG-CE2 3.51Å; E275-F304 HydrophobicContact CG-CZ 4.32Å; E275-F304 WeakPolarHBondContact OE1-CE2 3.35Å; E275-F304 WeakPolarHBondContact OE1-CZ 3.36Å; E275-F304 WeakPolarHBondContact OE2-CE2 3.31Å; E275-F304 VanDerWaalsContact OE2-CZ 3.31Å; E275-F304 WeakPolarHBondContact OE2-CZ 3.35Å
276K39.6Very low39.4Very low7 Ų746.1 Ų46.13%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-70.7125.6178.9-57.4-144.9171.9-175.60109.3V248 S262 L274 F278 L295 F304V248-K276 HydrophobicContact CB-CB 4.43Å; V248-K276 HydrophobicContact CB-CD 3.66Å; V248-K276 HydrophobicContact CB-CG 3.71Å; V248-K276 HydrophobicContact CG1-CD 3.97Å; V248-K276 HydrophobicContact CG2-CD 4.2Å; V248-K276 HydrophobicContact CG2-CG 4.11Å; V248-K276 WeakPolarHBondContact O-CA 3.25Å; S262-K276 PolarHBondContact O-NZ 2.84Å; L274-K276 PolarHBondContact O-N 3.36Å; K276-F278 HydrophobicContact CB-CE1 3.88Å; K276-F278 HydrophobicContact CB-CE2 3.87Å; K276-F278 HydrophobicContact CB-CZ 3.37Å; K276-F278 HydrophobicContact CG-CZ 4.31Å; K276-F278 WeakPolarHBondContact O-CD2 3.22Å; K276-F278 VanDerWaalsContact O-CE2 3.3Å; K276-F278 WeakPolarHBondContact O-CE2 3.36Å; K276-F278 PolarHBondContact O-N 2.86Å; K276-L295 HydrophobicContact CD-CD2 4.22Å; K276-F304 PolarHBondContact O-N 3.48Å
277E34.2Very low38.3Very low1 Ų146.4 Ų46.41%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-75.6113.4166-172.5-176.2-13700107.4A76 P77 K227 I247 V248 S249 E275 V279 Q306A76-E277 HydrophobicContact CB-CG 3.7Å; P77-E277 WeakPolarHBondContact CD-OE1 3.1Å; K227-E277 WeakPolarHBondContact CE-OE1 3.39Å; K227-E277 WeakPolarHBondContact CE-OE2 3.25Å; K227-E277 VanDerWaalsContact NZ-CD 3.32Å; K227-E277 IonicContact NZ-OE1 2.61Å; K227-E277 PolarHBondContact NZ-OE1 3.03Å; K227-E277 IonicContact NZ-OE2 3.17Å; K227-E277 PolarHBondContact NZ-OE2 3.02Å; I247-E277 HydrophobicContact CG2-CB 3.56Å; V248-E277 PolarHBondContact O-N 3.03Å; S249-E277 PolarHBondContact OG-OE2 3.01Å; E275-E277 PolarHBondContact O-N 3.22Å; E277-V279 HydrophobicContact CG-CG2 4.34Å; E277-Q306 HydrophobicContact CG-CG 4.04Å; E277-Q306 PolarHBondContact OE1-NE2 3.42Å; E277-Q306 PolarHBondContact OE2-NE2 3.22Å
278F36Very low37.9Very low9 Ų942.2 Ų42.24%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-85.2111167.5-62.1-61.6000108.7Y42 K276 I280 L295 C303 F304 Q306Y42-F278 HydrophobicContact CE2-CD1 4.31Å; Y42-F278 HydrophobicContact CE2-CE1 4.32Å; Y42-F278 AromaticContact CZ-CE1 3.86Å; Y42-F278 WeakPolarHBondContact OH-CE1 3.48Å; K276-F278 HydrophobicContact CB-CE1 3.88Å; K276-F278 HydrophobicContact CB-CE2 3.87Å; K276-F278 HydrophobicContact CB-CZ 3.37Å; K276-F278 HydrophobicContact CG-CZ 4.31Å; K276-F278 WeakPolarHBondContact O-CD2 3.22Å; K276-F278 VanDerWaalsContact O-CE2 3.3Å; K276-F278 WeakPolarHBondContact O-CE2 3.36Å; K276-F278 PolarHBondContact O-N 2.86Å; F278-I280 VanDerWaalsContact C-N 3.3Å; F278-I280 HydrophobicContact CB-CD1 4.41Å; F278-I280 HydrophobicContact CB-CG1 3.97Å; F278-I280 PolarHBondContact O-N 2.79Å; F278-L295 HydrophobicContact CD2-CD1 4.48Å; F278-L295 HydrophobicContact CE1-CD1 3.77Å; F278-L295 HydrophobicContact CE1-CD2 4.01Å; F278-L295 HydrophobicContact CE2-CD1 3.5Å; F278-L295 VanDerWaalsContact CE2-CD1 3.5Å; F278-L295 HydrophobicContact CZ-CD1 3.05Å; F278-L295 HydrophobicContact CZ-CD2 3.48Å; F278-L295 VanDerWaalsContact CZ-CD2 3.48Å; F278-L295 HydrophobicContact CZ-CG 3.83Å; F278-C303 HydrophobicContact CD2-CB 3.54Å; F278-C303 HydrophobicContact CE2-CB 3.29Å; F278-C303 VanDerWaalsContact CE2-SG 3.5Å; F278-F304 WeakPolarHBondContact CA-O 3.16Å; F278-F304 WeakPolarHBondContact CB-O 3.45Å; F278-F304 PolarHBondContact N-O 2.87Å; F278-Q306 PolarHBondContact O-N 3.42Å
279V30.1Very low37.4Very low11 Ų1142.1 Ų42.17%0.06721%0.208CC..  trans-87.890.1162.9-178.60000106.4E277 N281 Q306E277-V279 HydrophobicContact CG-CG2 4.34Å; V279-N281 HydrophobicContact CG1-CB 3.59Å; V279-N281 PolarHBondContact O-N 3.35Å; V279-Q306 HydrophobicContact CG2-CG 4.11Å
280I36.6Very low37.2Very low10 Ų1041.4 Ų41.45%0.05120%0.203CC..  trans-78.464.2167.1-55.5173.2000105.3L6 F278 I284 C305 A307L6-I280 HydrophobicContact CD2-CD1 4.31Å; L6-I280 HydrophobicContact CD2-CG2 4.39Å; F278-I280 VanDerWaalsContact C-N 3.3Å; F278-I280 HydrophobicContact CB-CD1 4.41Å; F278-I280 HydrophobicContact CB-CG1 3.97Å; F278-I280 PolarHBondContact O-N 2.79Å; I280-I284 HydrophobicContact CD1-CD1 3.98Å; I280-I284 HydrophobicContact CG1-CD1 4.02Å; I280-I284 HydrophobicContact CG1-CG1 4.31Å; I280-C305 HydrophobicContact CD1-CB 4.12Å; I280-A307 HydrophobicContact CB-CB 3.45Å; I280-A307 VanDerWaalsContact CB-CB 3.45Å; I280-A307 HydrophobicContact CD1-CB 4.27Å; I280-A307 HydrophobicContact CG1-CB 4.4Å; I280-A307 HydrophobicContact CG2-CB 3.57Å; I280-A307 WeakPolarHBondContact O-CB 3.38Å
281N29.1Very low37.5Very low6 Ų636.4 Ų36.43%0.03218%0.18CC..SBendtrans-79.8-8.6175.5-107.36.8000112.9Y25 A27 R35 V279 I310Y25-N281 VanDerWaalsContact O-CG 3.26Å; Y25-N281 PolarHBondContact O-ND2 3.17Å; Y25-N281 PolarHBondContact O-OD1 3.48Å; A27-N281 PolarHBondContact O-ND2 3.17Å; R35-N281 HydrophobicContact CG-CB 4.18Å; V279-N281 HydrophobicContact CG1-CB 3.59Å; V279-N281 PolarHBondContact O-N 3.35Å; N281-I310 WeakPolarHBondContact OD1-CD1 3.46Å
282R29.1Very low38.3Very low100 Ų10029.7 Ų29.738%0.37715%0.145SC..SBendtrans-146.8160.3148.6-55-164.8177.5-166.70.1107.3E10 L39E10-R282 WeakPolarHBondContact OE1-CG 3.33Å; E10-R282 IonicContact OE1-NE 3.44Å; E10-R282 WeakPolarHBondContact OE2-CA 3.45Å; L39-R282 HydrophobicContact CD1-CB 3.57Å; L39-R282 WeakPolarHBondContact CD1-O 3.41Å; L39-R282 WeakPolarHBondContact CD2-O 3.31Å
283V30.6Very low38.6Very low10 Ų1027.4 Ų27.46%0.06114%0.135CC..  trans-59.4139.3-167.4177.10000115.1L6 T7 E10 Q285L6-V283 HydrophobicContact CB-CG1 4.16Å; L6-V283 HydrophobicContact CB-CG2 4.03Å; T7-V283 HydrophobicContact CG2-CG2 4.35Å; T7-V283 VanDerWaalsContact N-CG2 3.33Å; T7-V283 WeakPolarHBondContact OG1-CB 3.42Å; T7-V283 WeakPolarHBondContact OG1-CG1 3.22Å; T7-V283 WeakPolarHBondContact OG1-CG2 3.41Å; E10-V283 HydrophobicContact CB-CG2 4.2Å; E10-V283 WeakPolarHBondContact OE2-CG2 3.26Å; E10-V283 PolarHBondContact OE2-N 3Å; V283-Q285 PolarHBondContact O-N 3.45Å
284I32Very low38.9Very low22 Ų2226 Ų2611%0.11313%0.128CC..  trans-6089.7157.7-64.2168.7000107.1L39 I280 C286 T291L39-I284 HydrophobicContact CD2-CG1 4.38Å; I280-I284 HydrophobicContact CD1-CD1 3.98Å; I280-I284 HydrophobicContact CG1-CD1 4.02Å; I280-I284 HydrophobicContact CG1-CG1 4.31Å; I284-C286 HydrophobicContact CG2-CB 4.3Å; I284-C286 PolarHBondContact O-N 3.49Å; I284-T291 HydrophobicContact CD1-CG2 3.73Å; I284-T291 HydrophobicContact CG2-CG2 4.33Å; I284-T291 VanDerWaalsContact CG2-OG1 3.24Å; I284-T291 WeakPolarHBondContact CG2-OG1 3.37Å
285Q31.1Very low39.4Very low123 Ų12326.6 Ų26.658%0.57513%0.131SC*.  trans-7648169.6-86-173.1-1700111.3K43 V283K43-Q285 VanDerWaalsContact CE-CB 3.49Å; V283-Q285 PolarHBondContact O-N 3.45Å
286C29.3Very low39.8Very low31 Ų3128.4 Ų28.421%0.20914%0.139CC..SBendtrans-140.7122.9170.4-89.70000108.4K43 I284 R288K43-C286 WeakPolarHBondContact CA-SG 3.24Å; K43-C286 VanDerWaalsContact CG-SG 3.56Å; I284-C286 HydrophobicContact CG2-CB 4.3Å; I284-C286 PolarHBondContact O-N 3.49Å; C286-R288 VanDerWaalsContact O-CA 3.29Å; C286-R288 WeakPolarHBondContact O-CA 3.36Å; C286-R288 PolarHBondContact O-N 2.92Å
287D35.7Very low40.2Very low132 Ų13229.6 Ų29.671%0.70614%0.144SC*.  trans-20.1110.2176.6-73.1-39.5000113.1G289 V290D287-G289 VanDerWaalsContact C-N 3.25Å; D287-G289 PolarHBondContact O-N 2.95Å; D287-V290 HydrophobicContact CB-CG2 3.99Å; D287-V290 VanDerWaalsContact O-CB 3.25Å; D287-V290 WeakPolarHBondContact O-CB 3.35Å; D287-V290 VanDerWaalsContact O-CG2 3.23Å; D287-V290 WeakPolarHBondContact O-CG2 3.44Å; D287-V290 PolarHBondContact O-N 3.41Å
288R52Low40.6Very low37 Ų3732.1 Ų32.114%0.1415%0.153CC..Hα-helixtrans-78.31.4-138.8-42.4-152-158.7112.310.4116.1C5 C286 E331C5-R288 PolarHBondContact SG-NH2 3.08Å; C286-R288 VanDerWaalsContact O-CA 3.29Å; C286-R288 WeakPolarHBondContact O-CA 3.36Å; C286-R288 PolarHBondContact O-N 2.92Å; R288-E331 HydrophobicContact CB-CB 3.76Å; R288-E331 HydrophobicContact CB-CG 4.32Å; R288-E331 WeakPolarHBondContact CB-OE2 3.27Å; R288-E331 WeakPolarHBondContact CD-OE1 3.38Å; R288-E331 WeakPolarHBondContact CD-OE2 3.39Å; R288-E331 HydrophobicContact CG-CB 4.42Å; R288-E331 VanDerWaalsContact CG-CD 3.42Å; R288-E331 HydrophobicContact CG-CG 4.47Å; R288-E331 WeakPolarHBondContact CG-OE1 3.33Å; R288-E331 WeakPolarHBondContact CG-OE2 3.43Å; R288-E331 VanDerWaalsContact CZ-CD 3.43Å; R288-E331 IonicContact CZ-OE1 4Å; R288-E331 IonicContact CZ-OE2 3.64Å; R288-E331 VanDerWaalsContact CZ-OE2 3.3Å; R288-E331 IonicContact NE-OE1 3.25Å; R288-E331 PolarHBondContact NE-OE1 3.44Å; R288-E331 IonicContact NE-OE2 2.67Å; R288-E331 PolarHBondContact NE-OE2 3.11Å; R288-E331 IonicContact NH1-OE1 2.63Å; R288-E331 PolarHBondContact NH1-OE1 2.84Å; R288-E331 IonicContact NH1-OE2 3.99Å; R288-E331 PolarHBondContact NH1-OE2 3.26Å; R288-E331 IonicContact NH2-OE1 3.88Å; R288-E331 PolarHBondContact NH2-OE1 3.3Å
289G45.9Very low41.2Very low0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-104.8-6.3163.900000115.1D287 T291 I292 I293 S335D287-G289 VanDerWaalsContact C-N 3.25Å; D287-G289 PolarHBondContact O-N 2.95Å; G289-T291 PolarHBondContact O-N 3.42Å; G289-I292 PolarHBondContact O-N 3.37Å; G289-I293 WeakPolarHBondContact O-CB 3.43Å; G289-I293 VanDerWaalsContact O-CD1 3.27Å; G289-I293 WeakPolarHBondContact O-CD1 3.41Å; G289-I293 WeakPolarHBondContact O-CG1 3.38Å; G289-I293 PolarHBondContact O-N 3.45Å; G289-S335 WeakPolarHBondContact CA-OG 2.78Å; G289-S335 PolarHBondContact N-OG 2.99Å
290V46.9Very low41.7Very low24 Ų2438.1 Ų38.115%0.14518%0.184CC..Hα-helixtrans-55.3-43163.9174.50000110.5L47 D287 S294L47-V290 HydrophobicContact CD1-CB 4.01Å; L47-V290 HydrophobicContact CD1-CG1 4.32Å; L47-V290 HydrophobicContact CD1-CG2 3.51Å; L47-V290 HydrophobicContact CD2-CB 4.34Å; L47-V290 HydrophobicContact CD2-CG1 3.88Å; L47-V290 HydrophobicContact CG-CB 3.9Å; L47-V290 HydrophobicContact CG-CG1 3.63Å; L47-V290 HydrophobicContact CG-CG2 3.68Å; D287-V290 HydrophobicContact CB-CG2 3.99Å; D287-V290 VanDerWaalsContact O-CB 3.25Å; D287-V290 WeakPolarHBondContact O-CB 3.35Å; D287-V290 VanDerWaalsContact O-CG2 3.23Å; D287-V290 WeakPolarHBondContact O-CG2 3.44Å; D287-V290 PolarHBondContact O-N 3.41Å; V290-S294 WeakPolarHBondContact O-CB 3.43Å; V290-S294 PolarHBondContact O-N 3.27Å; V290-S294 PolarHBondContact O-OG 2.75Å
291T50.9Low42.5Very low4 Ų438.4 Ų38.43%0.02519%0.189CC..Hα-helixtrans-64.8-53.5179.2-59.40000111.1Y42 I284 G289 I293 S294 L295Y42-T291 HydrophobicContact CD1-CG2 3.44Å; Y42-T291 VanDerWaalsContact CD1-CG2 3.44Å; Y42-T291 HydrophobicContact CD2-CG2 4.38Å; Y42-T291 HydrophobicContact CE1-CG2 3.29Å; Y42-T291 HydrophobicContact CE2-CG2 4.25Å; Y42-T291 HydrophobicContact CG-CG2 4Å; I284-T291 HydrophobicContact CD1-CG2 3.73Å; I284-T291 HydrophobicContact CG2-CG2 4.33Å; I284-T291 VanDerWaalsContact CG2-OG1 3.24Å; I284-T291 WeakPolarHBondContact CG2-OG1 3.37Å; G289-T291 PolarHBondContact O-N 3.42Å; T291-I293 PolarHBondContact O-N 2.95Å; T291-S294 PolarHBondContact O-N 2.99Å; T291-S294 VanDerWaalsContact O-N 3.12Å; T291-S294 PolarHBondContact O-OG 3.21Å; T291-L295 HydrophobicContact CG2-CD1 3.86Å; T291-L295 VanDerWaalsContact O-CD1 3.3Å; T291-L295 WeakPolarHBondContact O-CD1 3.35Å; T291-L295 WeakPolarHBondContact O-CG 3.31Å; T291-L295 PolarHBondContact O-N 3.32Å
292I53.2Low43.7Very low12 Ų1238.2 Ų38.26%0.06219%0.188CC..Hα-helixtrans-66.8-37.9-177.8-56.6165.1000111.3P72 V73 G289 L295 K296 F332P72-I292 HydrophobicContact CG-CG2 3.73Å; V73-I292 HydrophobicContact CG2-CD1 3.92Å; G289-I292 PolarHBondContact O-N 3.37Å; I292-L295 PolarHBondContact O-N 3.18Å; I292-K296 PolarHBondContact O-N 3.12Å; I292-K296 VanDerWaalsContact O-N 3.1Å; I292-F332 HydrophobicContact CB-CD2 3.52Å; I292-F332 HydrophobicContact CB-CE2 3.72Å; I292-F332 HydrophobicContact CB-CG 4.45Å; I292-F332 HydrophobicContact CD1-CB 3.71Å; I292-F332 HydrophobicContact CD1-CD2 3.77Å; I292-F332 HydrophobicContact CD1-CG 3.9Å; I292-F332 HydrophobicContact CG1-CD2 4.24Å; I292-F332 HydrophobicContact CG2-CD2 3.39Å; I292-F332 HydrophobicContact CG2-CE2 3.21Å; I292-F332 HydrophobicContact CG2-CG 4.18Å; I292-F332 HydrophobicContact CG2-CZ 3.86Å
293I49.4Very low45.5Very low0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-64-40.9172.6-68.6166.9000111L47 G289 T291 L295 K297 F332 S335 M336 I347 L351 V352L47-I293 HydrophobicContact CD1-CD1 4.16Å; L47-I293 HydrophobicContact CD2-CB 4.26Å; L47-I293 HydrophobicContact CD2-CG2 3.77Å; G289-I293 WeakPolarHBondContact O-CB 3.43Å; G289-I293 VanDerWaalsContact O-CD1 3.27Å; G289-I293 WeakPolarHBondContact O-CD1 3.41Å; G289-I293 WeakPolarHBondContact O-CG1 3.38Å; G289-I293 PolarHBondContact O-N 3.45Å; T291-I293 PolarHBondContact O-N 2.95Å; I293-L295 PolarHBondContact O-N 3.22Å; I293-K297 PolarHBondContact O-N 3.27Å; I293-F332 HydrophobicContact CG1-CE2 4.37Å; I293-S335 WeakPolarHBondContact CD1-O 3.3Å; I293-M336 HydrophobicContact CD1-CG 4.47Å; I293-M336 HydrophobicContact CG1-CG 4.5Å; I293-I347 HydrophobicContact CB-CG2 4.26Å; I293-I347 HydrophobicContact CG1-CD1 3.92Å; I293-I347 HydrophobicContact CG1-CG1 4.25Å; I293-I347 HydrophobicContact CG2-CG2 3.81Å; I293-I347 VanDerWaalsContact O-CG2 3.23Å; I293-I347 WeakPolarHBondContact O-CG2 3.3Å; I293-L351 HydrophobicContact CG2-CB 4.23Å; I293-L351 HydrophobicContact CG2-CD1 4.1Å; I293-V352 HydrophobicContact CG2-CG2 4.35Å
294S45.8Very low46.9Very low3 Ų333.5 Ų33.52%0.02117%0.171CC..Hα-helixtrans-63.9-28.8177.276.60000113.5V290 T291V290-S294 WeakPolarHBondContact O-CB 3.43Å; V290-S294 PolarHBondContact O-N 3.27Å; V290-S294 PolarHBondContact O-OG 2.75Å; T291-S294 PolarHBondContact O-N 2.99Å; T291-S294 VanDerWaalsContact O-N 3.12Å; T291-S294 PolarHBondContact O-OG 3.21Å
295L49.1Very low48.4Very low16 Ų1632.7 Ų32.78%0.08417%0.167CC..Hα-helixtrans-82.7-46.8-176.7-73.1163.4000112.8Y42 K276 F278 T291 I292 I293 K297 R298 Y299Y42-L295 HydrophobicContact CE1-CD1 4.27Å; Y42-L295 HydrophobicContact CE1-CD2 4.43Å; Y42-L295 HydrophobicContact CE1-CG 4.26Å; Y42-L295 WeakPolarHBondContact OH-CD2 3.32Å; K276-L295 HydrophobicContact CD-CD2 4.22Å; F278-L295 HydrophobicContact CD2-CD1 4.48Å; F278-L295 HydrophobicContact CE1-CD1 3.77Å; F278-L295 HydrophobicContact CE1-CD2 4.01Å; F278-L295 HydrophobicContact CE2-CD1 3.5Å; F278-L295 VanDerWaalsContact CE2-CD1 3.5Å; F278-L295 HydrophobicContact CZ-CD1 3.05Å; F278-L295 HydrophobicContact CZ-CD2 3.48Å; F278-L295 VanDerWaalsContact CZ-CD2 3.48Å; F278-L295 HydrophobicContact CZ-CG 3.83Å; T291-L295 HydrophobicContact CG2-CD1 3.86Å; T291-L295 VanDerWaalsContact O-CD1 3.3Å; T291-L295 WeakPolarHBondContact O-CD1 3.35Å; T291-L295 WeakPolarHBondContact O-CG 3.31Å; T291-L295 PolarHBondContact O-N 3.32Å; I292-L295 PolarHBondContact O-N 3.18Å; I293-L295 PolarHBondContact O-N 3.22Å; L295-K297 PolarHBondContact O-N 3.45Å; L295-R298 PolarHBondContact O-N 3.21Å; L295-Y299 PolarHBondContact O-N 2.93Å
296K48.8Very low49.7Very low39 Ų3927.1 Ų27.117%0.1714%0.141CC..Hα-helixtrans-63.8-29.8179.5-176.8165.7-179.4161.10113.4I292 R298 Y299 V344 I347I292-K296 PolarHBondContact O-N 3.12Å; I292-K296 VanDerWaalsContact O-N 3.1Å; K296-R298 PolarHBondContact O-N 3.19Å; K296-Y299 PolarHBondContact O-N 2.63Å; K296-Y299 VanDerWaalsContact O-O 3.13Å; K296-V344 HydrophobicContact CD-CB 4.26Å; K296-V344 HydrophobicContact CD-CG1 3.28Å; K296-V344 WeakPolarHBondContact CD-O 3.06Å; K296-V344 WeakPolarHBondContact CE-O 3.21Å; K296-V344 PolarHBondContact NZ-O 3.27Å; K296-I347 HydrophobicContact CB-CB 4.41Å; K296-I347 HydrophobicContact CB-CG2 3.91Å; K296-I347 HydrophobicContact CD-CB 4.26Å; K296-I347 HydrophobicContact CD-CD1 4.24Å; K296-I347 HydrophobicContact CG-CB 4.4Å; K296-I347 HydrophobicContact CG-CG2 4.34Å
297K47.6Very low50.8Low31 Ų3125.9 Ų25.914%0.13513%0.133CC..THydrogen-bonded Turntrans-54.8-37.4173.7152.4179.8-178.7168.60112.5I293 L295 R349 V352I293-K297 PolarHBondContact O-N 3.27Å; L295-K297 PolarHBondContact O-N 3.45Å; K297-R349 VanDerWaalsContact CD-CA 3.49Å; K297-R349 HydrophobicContact CD-CB 4.18Å; K297-R349 HydrophobicContact CD-CG 4.39Å; K297-R349 WeakPolarHBondContact CD-O 3.31Å; K297-R349 VanDerWaalsContact CE-CA 3.5Å; K297-R349 VanDerWaalsContact CE-CG 3.41Å; K297-R349 WeakPolarHBondContact CE-O 3.41Å; K297-R349 HydrophobicContact CG-CB 4.05Å; K297-R349 PolarHBondContact NZ-O 3.37Å; K297-V352 HydrophobicContact CB-CG2 4.28Å; K297-V352 HydrophobicContact CD-CB 3.49Å; K297-V352 VanDerWaalsContact CD-CB 3.49Å; K297-V352 HydrophobicContact CD-CG1 4.27Å; K297-V352 HydrophobicContact CD-CG2 3.6Å; K297-V352 PolarHBondContact NZ-O 2.92Å
298R44.5Very low51.5Low55 Ų5519.7 Ų19.721%0.20810%0.1CC..THydrogen-bonded Turntrans-88.1-32.6-170.5-146.7174176.1121.910.7109.8H270 L295 K296H270-R298 PolarHBondContact CE1-O 2.63Å; H270-R298 PolarHBondContact ND1-O 3.32Å; L295-R298 PolarHBondContact O-N 3.21Å; K296-R298 PolarHBondContact O-N 3.19Å
299Y47.9Very low51.5Low12 Ų1217.9 Ų17.95%0.0479%0.093CC..  trans-151.6149.2-171.7-51.2-62.6000113.7I268 L274 L295 K296 G301I268-Y299 HydrophobicContact CB-CE1 4.26Å; I268-Y299 WeakPolarHBondContact O-CE1 3.22Å; I268-Y299 PolarHBondContact O-OH 2.82Å; L274-Y299 HydrophobicContact CB-CD1 4.35Å; L274-Y299 HydrophobicContact CB-CD2 4.08Å; L274-Y299 HydrophobicContact CB-CG 3.72Å; L274-Y299 HydrophobicContact CD1-CD1 2.94Å; L274-Y299 HydrophobicContact CD1-CD2 3.97Å; L274-Y299 HydrophobicContact CD1-CE1 3.49Å; L274-Y299 VanDerWaalsContact CD1-CE1 3.49Å; L274-Y299 HydrophobicContact CD1-CE2 4.38Å; L274-Y299 HydrophobicContact CD1-CG 3.23Å; L274-Y299 HydrophobicContact CG-CD1 4.2Å; L274-Y299 HydrophobicContact CG-CG 4.07Å; L295-Y299 PolarHBondContact O-N 2.93Å; K296-Y299 PolarHBondContact O-N 2.63Å; K296-Y299 VanDerWaalsContact O-O 3.13Å; Y299-G301 PolarHBondContact O-N 2.99Å; Y299-G301 VanDerWaalsContact O-N 3.1Å
300L41.2Very low51.8Low134 Ų13418.2 Ų18.270%0.70210%0.095SC*.SBendtrans-75.889.2176.3-158.983.5000108.7
301G52.5Low52.1Low16 Ų1617.4 Ų17.417%0.1659%0.09CC..  trans-169.1174.4-17400000117.2Y299Y299-G301 PolarHBondContact O-N 2.99Å; Y299-G301 VanDerWaalsContact O-N 3.1Å
302C53.2Low52.5Low2 Ų217.3 Ų17.31%0.0149%0.09CC..  trans-101155.4176.1174.60000110.8V64 I69 P72 G74 E275 F304V64-C302 HydrophobicContact CG2-CB 3.3Å; I69-C302 HydrophobicContact CD1-CB 4.17Å; P72-C302 VanDerWaalsContact C-SG 3.5Å; G74-C302 PolarHBondContact N-SG 3.21Å; E275-C302 WeakPolarHBondContact CA-O 3.1Å; C302-F304 HydrophobicContact CB-CE2 3.98Å; C302-F304 HydrophobicContact CB-CZ 4.38Å
303C67.3Low52.7Low10 Ų1016.7 Ų16.77%0.0689%0.087CC..EExtended strand (participates in β ladder)trans-97.2132.6176.9-60.20000109.7P72 V73 G74 F278P72-C303 WeakPolarHBondContact O-CB 3.45Å; P72-C303 PolarHBondContact O-N 2.87Å; V73-C303 CarbonylContact C-O 3.59Å; V73-C303 VanDerWaalsContact CA-O 3.23Å; V73-C303 WeakPolarHBondContact CA-O 3.31Å; V73-C303 HydrophobicContact CG2-CB 4.32Å; G74-C303 PolarHBondContact N-O 3.48Å; F278-C303 HydrophobicContact CD2-CB 3.54Å; F278-C303 HydrophobicContact CE2-CB 3.29Å; F278-C303 VanDerWaalsContact CE2-SG 3.5Å
304F60.8Low53.9Low0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-107.9121.5177.6-71.7-90.7000110.8G74 A76 C102 I104 E275 K276 F278 C302G74-F304 WeakPolarHBondContact O-CA 2.89Å; A76-F304 HydrophobicContact CB-CB 3.87Å; C102-F304 HydrophobicContact CB-CE1 3.89Å; C102-F304 HydrophobicContact CB-CZ 4.2Å; I104-F304 HydrophobicContact CD1-CB 4.43Å; I104-F304 HydrophobicContact CD1-CD1 3.25Å; I104-F304 HydrophobicContact CD1-CD2 4.33Å; I104-F304 HydrophobicContact CD1-CE1 3.43Å; I104-F304 VanDerWaalsContact CD1-CE1 3.43Å; I104-F304 HydrophobicContact CD1-CG 3.71Å; I104-F304 HydrophobicContact CD1-CZ 4.07Å; I104-F304 HydrophobicContact CG1-CD1 3.66Å; I104-F304 HydrophobicContact CG1-CE1 3.56Å; I104-F304 HydrophobicContact CG1-CZ 4.46Å; E275-F304 HydrophobicContact CB-CD2 3.7Å; E275-F304 HydrophobicContact CB-CE2 3.53Å; E275-F304 HydrophobicContact CG-CD2 4.22Å; E275-F304 HydrophobicContact CG-CE2 3.51Å; E275-F304 HydrophobicContact CG-CZ 4.32Å; E275-F304 WeakPolarHBondContact OE1-CE2 3.35Å; E275-F304 WeakPolarHBondContact OE1-CZ 3.36Å; E275-F304 WeakPolarHBondContact OE2-CE2 3.31Å; E275-F304 VanDerWaalsContact OE2-CZ 3.31Å; E275-F304 WeakPolarHBondContact OE2-CZ 3.35Å; K276-F304 PolarHBondContact O-N 3.48Å; F278-F304 WeakPolarHBondContact CA-O 3.16Å; F278-F304 WeakPolarHBondContact CB-O 3.45Å; F278-F304 PolarHBondContact N-O 2.87Å; C302-F304 HydrophobicContact CB-CE2 3.98Å; C302-F304 HydrophobicContact CB-CZ 4.38Å
305C64.1Low55.4Low6 Ų620.1 Ų20.14%0.04110%0.102CC..EExtended strand (participates in β ladder)trans-100.9120.8-174.8-66.10000110.5V73 G74 A76 I280 V308V73-C305 HydrophobicContact CG1-CB 4.42Å; V73-C305 VanDerWaalsContact CG1-SG 3.5Å; G74-C305 PolarHBondContact O-N 2.9Å; A76-C305 PolarHBondContact N-O 3.08Å; I280-C305 HydrophobicContact CD1-CB 4.12Å; C305-V308 HydrophobicContact CB-CG2 4.5Å
306Q57.7Low57.2Low6 Ų624 Ų243%0.02812%0.119CC..SBendtrans-76.6-23.2169.9-72.2-173.4-9.200112.8A76 T78 E277 F278 V279 V308 I309A76-Q306 HydrophobicContact CB-CB 4.23Å; A76-Q306 HydrophobicContact CB-CG 3.41Å; A76-Q306 VanDerWaalsContact CB-CG 3.41Å; T78-Q306 HydrophobicContact CG2-CB 4.26Å; T78-Q306 HydrophobicContact CG2-CG 4.4Å; E277-Q306 HydrophobicContact CG-CG 4.04Å; E277-Q306 PolarHBondContact OE1-NE2 3.42Å; E277-Q306 PolarHBondContact OE2-NE2 3.22Å; F278-Q306 PolarHBondContact O-N 3.42Å; V279-Q306 HydrophobicContact CG2-CG 4.11Å; Q306-V308 PolarHBondContact O-N 3.02Å; Q306-V308 VanDerWaalsContact O-N 3.1Å; Q306-I309 PolarHBondContact O-N 2.9Å
307A52.7Low59.1Low5 Ų522.1 Ų22.14%0.04111%0.111CC..Hα-helixtrans-64-16.4-172.800000115.9I280 I309 I310I280-A307 HydrophobicContact CB-CB 3.45Å; I280-A307 VanDerWaalsContact CB-CB 3.45Å; I280-A307 HydrophobicContact CD1-CB 4.27Å; I280-A307 HydrophobicContact CG1-CB 4.4Å; I280-A307 HydrophobicContact CG2-CB 3.57Å; I280-A307 WeakPolarHBondContact O-CB 3.38Å; A307-I309 PolarHBondContact O-N 2.82Å; A307-I309 VanDerWaalsContact O-N 3.13Å; A307-I310 PolarHBondContact O-N 3.24Å
308V50.1Low61.3Low1 Ų122.6 Ų22.61%0.00611%0.114CC..Hα-helixtrans-64.3-22-175.71700000112.1I75 C305 Q306 C312 V321 V324I75-V308 HydrophobicContact CD1-CB 3.57Å; I75-V308 HydrophobicContact CD1-CG1 3.7Å; I75-V308 HydrophobicContact CD1-CG2 3.26Å; I75-V308 HydrophobicContact CG1-CG1 4.49Å; C305-V308 HydrophobicContact CB-CG2 4.5Å; Q306-V308 PolarHBondContact O-N 3.02Å; Q306-V308 VanDerWaalsContact O-N 3.1Å; V308-C312 WeakPolarHBondContact O-CB 3.37Å; V308-C312 PolarHBondContact O-SG 2.98Å; V308-C312 VanDerWaalsContact O-SG 3.35Å; V308-V321 HydrophobicContact CG1-CB 3.98Å; V308-V321 HydrophobicContact CG1-CG1 3.4Å; V308-V321 HydrophobicContact CG1-CG2 3.72Å; V308-V324 HydrophobicContact CG2-CG1 4.06Å
309I51.1Low63.6Low0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-92.6-34.7-177.3-67.9130.1000113.2Y25 I75 T78 H81 Q306 A307 S311 V313Y25-I309 HydrophobicContact CE1-CG2 4.1Å; I75-I309 HydrophobicContact CG2-CD1 4.13Å; T78-I309 WeakPolarHBondContact OG1-CD1 3.47Å; H81-I309 HydrophobicContact CB-CG2 4.18Å; H81-I309 WeakPolarHBondContact CE1-CD1 3.4Å; H81-I309 WeakPolarHBondContact CE1-CG1 3.21Å; H81-I309 WeakPolarHBondContact ND1-CG1 3.4Å; H81-I309 WeakPolarHBondContact NE2-CD1 3.41Å; H81-I309 WeakPolarHBondContact NE2-CG1 3.45Å; Q306-I309 PolarHBondContact O-N 2.9Å; A307-I309 PolarHBondContact O-N 2.82Å; A307-I309 VanDerWaalsContact O-N 3.13Å; I309-S311 VanDerWaalsContact C-N 3.25Å; I309-S311 PolarHBondContact O-N 2.94Å; I309-V313 HydrophobicContact CG1-CG2 4.36Å
310I53.2Low65.6Low6 Ų623.5 Ų23.53%0.03112%0.121CC..Hα-helixtrans-73.6-26.7-173.7-56.5179000110.5A13 W22 Y25 N281 A307A13-I310 WeakPolarHBondContact CB-O 3.31Å; W22-I310 HydrophobicContact CE3-CG2 4.27Å; W22-I310 HydrophobicContact CH2-CG2 4.47Å; W22-I310 HydrophobicContact CZ3-CG2 3.73Å; Y25-I310 HydrophobicContact CD1-CD1 4.23Å; Y25-I310 HydrophobicContact CD1-CG1 3.75Å; Y25-I310 HydrophobicContact CD2-CG1 4.49Å; Y25-I310 HydrophobicContact CG-CB 4.38Å; Y25-I310 HydrophobicContact CG-CD1 4.24Å; Y25-I310 HydrophobicContact CG-CG1 3.72Å; Y25-I310 HydrophobicContact CG-CG2 4.24Å; N281-I310 WeakPolarHBondContact OD1-CD1 3.46Å; A307-I310 PolarHBondContact O-N 3.24Å
311S52.6Low67.9Low8 Ų817.1 Ų17.16%0.0569%0.087CC..Hα-helixtrans-121.3-25.9-163-47.90000114F9 I309F9-S311 VanDerWaalsContact C-CB 3.45Å; I309-S311 VanDerWaalsContact C-N 3.25Å; I309-S311 PolarHBondContact O-N 2.94Å
312C60Low69.7Low1 Ų120 Ų201%0.0079%0.093CC..THydrogen-bonded Turntrans-114.5-36.4-161.8-31.20000114.1F9 V308 I314 Y315 Q316 G320 V324F9-C312 HydrophobicContact CD1-CB 4.23Å; V308-C312 WeakPolarHBondContact O-CB 3.37Å; V308-C312 PolarHBondContact O-SG 2.98Å; V308-C312 VanDerWaalsContact O-SG 3.35Å; C312-I314 VanDerWaalsContact C-N 3.3Å; C312-I314 PolarHBondContact O-N 3.49Å; C312-Y315 WeakPolarHBondContact O-CB 3.47Å; C312-Y315 PolarHBondContact O-N 3.38Å; C312-Y315 VanDerWaalsContact O-N 3.12Å; C312-Q316 PolarHBondContact O-N 3.35Å; C312-G320 VanDerWaalsContact CB-C 3.44Å; C312-G320 VanDerWaalsContact CB-O 3.31Å; C312-G320 WeakPolarHBondContact CB-O 3.36Å; C312-G320 WeakPolarHBondContact O-CA 3.28Å; C312-V324 HydrophobicContact CB-CB 4.36Å; C312-V324 HydrophobicContact CB-CG2 3.99Å; C312-V324 VanDerWaalsContact SG-CB 3.56Å; C312-V324 WeakPolarHBondContact SG-CG2 3.24Å
313V57.6Low71.5Confident0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-67-36.3178.9-1510000110.1A84 W85 A91 I309 Y315 G317 V321A84-V313 HydrophobicContact CB-CB 4.4Å; W85-V313 HydrophobicContact CB-CB 3.84Å; W85-V313 HydrophobicContact CB-CG1 3.23Å; W85-V313 WeakPolarHBondContact CB-O 3.37Å; W85-V313 HydrophobicContact CG-CG1 3.68Å; W85-V313 VanDerWaalsContact CG-O 3.32Å; A91-V313 HydrophobicContact CB-CG1 4.32Å; I309-V313 HydrophobicContact CG1-CG2 4.36Å; V313-Y315 VanDerWaalsContact C-N 3.29Å; V313-Y315 PolarHBondContact O-N 3.26Å; V313-G317 VanDerWaalsContact O-CA 3.26Å; V313-G317 WeakPolarHBondContact O-CA 3.37Å; V313-G317 PolarHBondContact O-N 3.42Å; V313-V321 HydrophobicContact CG2-CG2 3.83Å
314I74.3Confident72.4Confident32 Ų3222.6 Ų22.616%0.16410%0.104CC..Hα-helixtrans-68.7-27.8174-173.161.6000112.9Y12 A13 H16 L17 A84 C312Y12-I314 HydrophobicContact CD1-CG2 4.38Å; A13-I314 HydrophobicContact CB-CG2 3.71Å; H16-I314 HydrophobicContact CB-CG1 4.15Å; L17-I314 HydrophobicContact CD2-CB 4.18Å; L17-I314 HydrophobicContact CD2-CD1 3.95Å; L17-I314 HydrophobicContact CD2-CG1 3.87Å; L17-I314 HydrophobicContact CG-CG1 4.27Å; A84-I314 HydrophobicContact CB-CB 4.46Å; A84-I314 VanDerWaalsContact O-CA 3.3Å; A84-I314 WeakPolarHBondContact O-CA 3.03Å; A84-I314 WeakPolarHBondContact O-CB 3.1Å; A84-I314 WeakPolarHBondContact O-CD1 3.43Å; C312-I314 VanDerWaalsContact C-N 3.3Å; C312-I314 PolarHBondContact O-N 3.49Å
315Y76.9Confident73.7Confident43 Ų4322.6 Ų22.617%0.16910%0.104CC..Hα-helixtrans-70-52.1-179.3-177.8-110.3000110.2M3 F9 Y12 C312 V313 E323M3-Y315 HydrophobicContact CB-CE1 4.47Å; M3-Y315 HydrophobicContact CE-CD2 3.91Å; M3-Y315 HydrophobicContact CE-CE2 4.03Å; M3-Y315 HydrophobicContact CE-CG 4.28Å; M3-Y315 HydrophobicContact CG-CD1 4.27Å; M3-Y315 HydrophobicContact CG-CD2 4.25Å; M3-Y315 HydrophobicContact CG-CE1 3.57Å; M3-Y315 HydrophobicContact CG-CE2 3.57Å; M3-Y315 VanDerWaalsContact CG-OH 3.25Å; M3-Y315 WeakPolarHBondContact CG-OH 3.37Å; M3-Y315 HydrophobicContact SD-CD2 4.28Å; M3-Y315 HydrophobicContact SD-CE2 3.78Å; F9-Y315 HydrophobicContact CD1-CD1 4.17Å; F9-Y315 HydrophobicContact CD1-CG 4.18Å; F9-Y315 AromaticContact CE1-CD1 3.58Å; F9-Y315 HydrophobicContact CE1-CD1 3.58Å; F9-Y315 HydrophobicContact CE1-CE1 4.14Å; F9-Y315 HydrophobicContact CE1-CG 4.06Å; Y12-Y315 AromaticContact CD1-CD2 3.76Å; Y12-Y315 HydrophobicContact CD1-CD2 3.76Å; Y12-Y315 HydrophobicContact CD1-CG 4.41Å; Y12-Y315 AromaticContact CD2-CD2 3.74Å; Y12-Y315 HydrophobicContact CD2-CD2 3.74Å; Y12-Y315 HydrophobicContact CD2-CE2 4.05Å; Y12-Y315 AromaticContact CE1-CD2 3.71Å; Y12-Y315 HydrophobicContact CE1-CD2 3.71Å; Y12-Y315 HydrophobicContact CE1-CG 4.38Å; Y12-Y315 AromaticContact CE2-CD2 3.66Å; Y12-Y315 HydrophobicContact CE2-CD2 3.66Å; Y12-Y315 AromaticContact CE2-CE2 3.93Å; Y12-Y315 HydrophobicContact CE2-CE2 3.93Å; Y12-Y315 AromaticContact CG-CD2 3.78Å; Y12-Y315 HydrophobicContact CG-CD2 3.78Å; Y12-Y315 HydrophobicContact CG-CE2 4.48Å; Y12-Y315 AromaticContact CZ-CD2 3.65Å; C312-Y315 WeakPolarHBondContact O-CB 3.47Å; C312-Y315 PolarHBondContact O-N 3.38Å; C312-Y315 VanDerWaalsContact O-N 3.12Å; V313-Y315 VanDerWaalsContact C-N 3.29Å; V313-Y315 PolarHBondContact O-N 3.26Å; Y315-E323 WeakPolarHBondContact CE1-OE2 3.3Å
316Q86.9Confident75Confident96 Ų9626 Ų2645%0.44912%0.119SC..Hα-helixtrans-159.136.9179.6-63.2-170.9400114.1C312 E318 E319C312-Q316 PolarHBondContact O-N 3.35Å; Q316-E318 PolarHBondContact O-N 2.96Å; Q316-E319 HydrophobicContact CB-CB 4.09Å; Q316-E319 PolarHBondContact O-N 2.87Å; Q316-E319 VanDerWaalsContact O-N 3.15Å
317G89.8Confident76.5Confident0 Ų026.8 Ų26.80%012%0.124CC..Hα-helixtrans58.6-124178.300000113.1V313 E319 G320 V321V313-G317 VanDerWaalsContact O-CA 3.26Å; V313-G317 WeakPolarHBondContact O-CA 3.37Å; V313-G317 PolarHBondContact O-N 3.42Å; G317-E319 PolarHBondContact O-N 2.91Å; G317-G320 PolarHBondContact O-N 3.4Å; G317-V321 WeakPolarHBondContact O-CG2 3.32Å; G317-V321 PolarHBondContact O-N 3.46Å
318E92.7Very high78Confident41 Ų4127.1 Ų27.119%0.19213%0.125CC..Hα-helixtrans-59-43.7177.9-176.3-174.9158.100112.6A91 R94 A95 Q316 G320 V321 R322A91-E318 HydrophobicContact CB-CB 4.14Å; R94-E318 VanDerWaalsContact CB-CD 3.46Å; R94-E318 HydrophobicContact CB-CG 4.06Å; R94-E318 VanDerWaalsContact CD-OE2 3.28Å; R94-E318 WeakPolarHBondContact CD-OE2 3.39Å; R94-E318 IonicContact NH1-OE2 3.92Å; A95-E318 HydrophobicContact CB-CG 3.9Å; Q316-E318 PolarHBondContact O-N 2.96Å; E318-G320 VanDerWaalsContact C-N 3.35Å; E318-G320 PolarHBondContact O-N 2.93Å; E318-V321 WeakPolarHBondContact O-CB 3.17Å; E318-V321 PolarHBondContact O-N 3.25Å; E318-R322 PolarHBondContact O-N 2.69Å; E318-R322 IonicContact OE1-CZ 3.74Å; E318-R322 IonicContact OE1-NH2 3.91Å; E318-R322 PolarHBondContact OE1-NH2 3.45Å
319E92.2Very high79.9Confident87 Ų8728.4 Ų28.441%0.40713%0.131SC..Hα-helixtrans-65.2-40-177.8-67.4-55.6140.200111.5Q316 G317 V321 R322 E323Q316-E319 HydrophobicContact CB-CB 4.09Å; Q316-E319 PolarHBondContact O-N 2.87Å; Q316-E319 VanDerWaalsContact O-N 3.15Å; G317-E319 PolarHBondContact O-N 2.91Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.14Å; E319-R322 WeakPolarHBondContact O-CB 3.2Å; E319-R322 PolarHBondContact O-N 3.29Å; E319-R322 VanDerWaalsContact O-N 3.16Å; E319-R322 IonicContact OE1-CZ 3.81Å; E319-R322 IonicContact OE1-NH1 3.04Å; E319-R322 PolarHBondContact OE1-NH1 3.44Å; E319-R322 IonicContact OE1-NH2 3.16Å; E319-R322 PolarHBondContact OE1-NH2 2.83Å; E319-R322 IonicContact OE2-CZ 3.29Å; E319-R322 IonicContact OE2-NH1 3.17Å; E319-R322 PolarHBondContact OE2-NH1 3.48Å; E319-E323 WeakPolarHBondContact O-CB 3.49Å; E319-E323 PolarHBondContact O-N 3.02Å
320G90.3Very high81.8Confident0 Ų031.4 Ų31.40%015%0.147CC..Hα-helixtrans-63-41.1175.900000111.9C312 G317 E318 R322 E323 V324C312-G320 VanDerWaalsContact CB-C 3.44Å; C312-G320 VanDerWaalsContact CB-O 3.31Å; C312-G320 WeakPolarHBondContact CB-O 3.36Å; C312-G320 WeakPolarHBondContact O-CA 3.28Å; G317-G320 PolarHBondContact O-N 3.4Å; E318-G320 VanDerWaalsContact C-N 3.35Å; E318-G320 PolarHBondContact O-N 2.93Å; G320-R322 VanDerWaalsContact C-N 3.32Å; G320-R322 PolarHBondContact O-N 2.99Å; G320-E323 PolarHBondContact O-N 3.01Å; G320-V324 PolarHBondContact O-N 2.72Å; G320-V324 VanDerWaalsContact O-N 3.08Å
321V89.4Confident83.4Confident0 Ų033 Ų330%016%0.155CC..Hα-helixtrans-60.4-44.2173.7173.40000110.9A95 V308 V313 G317 E318 E319 V324 L325A95-V321 HydrophobicContact CB-CB 3.69Å; A95-V321 HydrophobicContact CB-CG1 3.4Å; V308-V321 HydrophobicContact CG1-CB 3.98Å; V308-V321 HydrophobicContact CG1-CG1 3.4Å; V308-V321 HydrophobicContact CG1-CG2 3.72Å; V313-V321 HydrophobicContact CG2-CG2 3.83Å; G317-V321 WeakPolarHBondContact O-CG2 3.32Å; G317-V321 PolarHBondContact O-N 3.46Å; E318-V321 WeakPolarHBondContact O-CB 3.17Å; E318-V321 PolarHBondContact O-N 3.25Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.14Å; V321-V324 PolarHBondContact O-N 3.07Å; V321-L325 HydrophobicContact CG1-CD1 4.04Å; V321-L325 WeakPolarHBondContact O-CG 3.1Å; V321-L325 PolarHBondContact O-N 2.84Å; V321-L325 VanDerWaalsContact O-N 3.1Å
322R91.6Very high84.9Confident77 Ų7732.7 Ų32.729%0.29115%0.152SC..Hα-helixtrans-63.1-44.9178.5-162.6-176.6-59.7143.54.1111.7L99 E318 E319 G320 V324 L325 Q326L99-R322 HydrophobicContact CD1-CB 4.44Å; L99-R322 HydrophobicContact CD1-CG 3.8Å; L99-R322 HydrophobicContact CD2-CG 4.16Å; L99-R322 HydrophobicContact CG-CG 4.02Å; E318-R322 PolarHBondContact O-N 2.69Å; E318-R322 IonicContact OE1-CZ 3.74Å; E318-R322 IonicContact OE1-NH2 3.91Å; E318-R322 PolarHBondContact OE1-NH2 3.45Å; E319-R322 WeakPolarHBondContact O-CB 3.2Å; E319-R322 PolarHBondContact O-N 3.29Å; E319-R322 VanDerWaalsContact O-N 3.16Å; E319-R322 IonicContact OE1-CZ 3.81Å; E319-R322 IonicContact OE1-NH1 3.04Å; E319-R322 PolarHBondContact OE1-NH1 3.44Å; E319-R322 IonicContact OE1-NH2 3.16Å; E319-R322 PolarHBondContact OE1-NH2 2.83Å; E319-R322 IonicContact OE2-CZ 3.29Å; E319-R322 IonicContact OE2-NH1 3.17Å; E319-R322 PolarHBondContact OE2-NH1 3.48Å; G320-R322 VanDerWaalsContact C-N 3.32Å; G320-R322 PolarHBondContact O-N 2.99Å; R322-V324 PolarHBondContact O-N 2.87Å; R322-L325 PolarHBondContact O-N 3.43Å; R322-Q326 WeakPolarHBondContact O-CB 3.4Å; R322-Q326 PolarHBondContact O-N 2.77Å
323E90.6Very high86.4Confident65 Ų6538.1 Ų38.130%0.30417%0.173SC..Hα-helixtrans-61-43.5179.6-168.4175.8-177.900111.4F9 Y315 E319 G320 Q326 I327F9-E323 HydrophobicContact CZ-CB 4.15Å; F9-E323 HydrophobicContact CZ-CG 3.87Å; Y315-E323 WeakPolarHBondContact CE1-OE2 3.3Å; E319-E323 WeakPolarHBondContact O-CB 3.49Å; E319-E323 PolarHBondContact O-N 3.02Å; G320-E323 PolarHBondContact O-N 3.01Å; E323-Q326 PolarHBondContact O-N 3.04Å; E323-I327 HydrophobicContact CG-CD1 4.12Å; E323-I327 VanDerWaalsContact O-CG1 3.28Å; E323-I327 WeakPolarHBondContact O-CG1 3.49Å; E323-I327 PolarHBondContact O-N 2.77Å
324V86.8Confident88.1Confident1 Ų142.7 Ų42.71%0.00620%0.197CC..Hα-helixtrans-67.8-42.3177.2162.20000113.1L6 F9 V308 C312 G320 V321 R322 Q326 I327 L328L6-V324 HydrophobicContact CD1-CG1 4.06Å; L6-V324 HydrophobicContact CG-CG1 4.12Å; F9-V324 HydrophobicContact CB-CG2 4.49Å; F9-V324 HydrophobicContact CD1-CG2 3.81Å; F9-V324 HydrophobicContact CD2-CG2 3.43Å; F9-V324 VanDerWaalsContact CD2-CG2 3.43Å; F9-V324 HydrophobicContact CE1-CG2 3.75Å; F9-V324 HydrophobicContact CE2-CG2 3.39Å; F9-V324 HydrophobicContact CG-CG2 3.66Å; F9-V324 HydrophobicContact CZ-CG2 3.55Å; V308-V324 HydrophobicContact CG2-CG1 4.06Å; C312-V324 HydrophobicContact CB-CB 4.36Å; C312-V324 HydrophobicContact CB-CG2 3.99Å; C312-V324 VanDerWaalsContact SG-CB 3.56Å; C312-V324 WeakPolarHBondContact SG-CG2 3.24Å; G320-V324 PolarHBondContact O-N 2.72Å; G320-V324 VanDerWaalsContact O-N 3.08Å; V321-V324 PolarHBondContact O-N 3.07Å; R322-V324 PolarHBondContact O-N 2.87Å; V324-Q326 VanDerWaalsContact C-N 3.27Å; V324-Q326 PolarHBondContact O-N 3.15Å; V324-I327 PolarHBondContact O-N 2.81Å; V324-L328 HydrophobicContact CG1-CD1 4.11Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.35Å; V324-L328 PolarHBondContact O-N 2.81Å
325L87.4Confident88.8Confident0 Ų041.8 Ų41.80%019%0.193CC..Hα-helixtrans-64-36.4175.1-74.6171.2000111.4F71 V73 I75 T96 L99 T101 V321 R322 L328 N329F71-L325 HydrophobicContact CZ-CB 4.31Å; F71-L325 HydrophobicContact CZ-CD2 3.98Å; F71-L325 VanDerWaalsContact CZ-O 3.26Å; F71-L325 WeakPolarHBondContact CZ-O 3.47Å; V73-L325 HydrophobicContact CG1-CD2 4.5Å; I75-L325 HydrophobicContact CD1-CD1 4.26Å; I75-L325 HydrophobicContact CD1-CD2 3.83Å; I75-L325 HydrophobicContact CD1-CG 4.33Å; T96-L325 HydrophobicContact CG2-CD1 4.07Å; L99-L325 HydrophobicContact CD1-CB 3.32Å; L99-L325 HydrophobicContact CD1-CD1 3.65Å; L99-L325 HydrophobicContact CD1-CG 4.13Å; T101-L325 HydrophobicContact CG2-CD1 4.17Å; V321-L325 HydrophobicContact CG1-CD1 4.04Å; V321-L325 WeakPolarHBondContact O-CG 3.1Å; V321-L325 PolarHBondContact O-N 2.84Å; V321-L325 VanDerWaalsContact O-N 3.1Å; R322-L325 PolarHBondContact O-N 3.43Å; L325-L328 PolarHBondContact O-N 2.61Å; L325-N329 WeakPolarHBondContact O-CB 3.31Å; L325-N329 PolarHBondContact O-N 3.1Å
326Q90.5Very high89.4Confident77 Ų7739.7 Ų39.736%0.3619%0.185SC..Hα-helixtrans-65.6-46.4174.9-174.157.651.700111.8R322 E323 V324 L328 N329 D330R322-Q326 WeakPolarHBondContact O-CB 3.4Å; R322-Q326 PolarHBondContact O-N 2.77Å; E323-Q326 PolarHBondContact O-N 3.04Å; V324-Q326 VanDerWaalsContact C-N 3.27Å; V324-Q326 PolarHBondContact O-N 3.15Å; Q326-L328 VanDerWaalsContact C-N 3.32Å; Q326-L328 PolarHBondContact O-N 3.31Å; Q326-N329 PolarHBondContact O-N 3.05Å; Q326-N329 VanDerWaalsContact O-N 3.15Å; Q326-D330 PolarHBondContact NE2-OD1 3.01Å; Q326-D330 PolarHBondContact NE2-OD2 3.49Å; Q326-D330 PolarHBondContact O-N 3.27Å
327I89.3Confident89.7Confident23 Ų2336.2 Ų36.212%0.11817%0.173CC..Hα-helixtrans-56.8-46.8174.8-72.5164000110.6L6 F9 E323 V324 N329 D330 E331L6-I327 HydrophobicContact CD1-CG2 3.99Å; F9-I327 HydrophobicContact CE2-CD1 3.61Å; F9-I327 HydrophobicContact CZ-CD1 4.18Å; E323-I327 HydrophobicContact CG-CD1 4.12Å; E323-I327 VanDerWaalsContact O-CG1 3.28Å; E323-I327 WeakPolarHBondContact O-CG1 3.49Å; E323-I327 PolarHBondContact O-N 2.77Å; V324-I327 PolarHBondContact O-N 2.81Å; I327-N329 VanDerWaalsContact C-N 3.32Å; I327-N329 PolarHBondContact O-N 2.73Å; I327-D330 PolarHBondContact O-N 3.33Å; I327-E331 HydrophobicContact CG2-CG 4.49Å; I327-E331 VanDerWaalsContact O-CG 3.3Å; I327-E331 WeakPolarHBondContact O-CG 3.05Å; I327-E331 PolarHBondContact O-N 3.12Å
328L85.6Confident89.8Confident11 Ų1142.1 Ų42.16%0.05820%0.204CC..Hα-helixtrans-61-41.4177.7-72.5171.2000112.1L6 F71 V73 V324 L325 Q326 F332L6-L328 HydrophobicContact CD1-CD2 3.86Å; L6-L328 HydrophobicContact CD1-CG 3.98Å; L6-L328 HydrophobicContact CD2-CD1 4.43Å; L6-L328 HydrophobicContact CD2-CD2 3.85Å; L6-L328 HydrophobicContact CD2-CG 4.38Å; F71-L328 HydrophobicContact CE2-CB 3.97Å; F71-L328 HydrophobicContact CZ-CB 4.4Å; V73-L328 HydrophobicContact CG1-CD1 4.23Å; V324-L328 HydrophobicContact CG1-CD1 4.11Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.35Å; V324-L328 PolarHBondContact O-N 2.81Å; L325-L328 PolarHBondContact O-N 2.61Å; Q326-L328 VanDerWaalsContact C-N 3.32Å; Q326-L328 PolarHBondContact O-N 3.31Å; L328-F332 WeakPolarHBondContact O-CB 3.47Å; L328-F332 PolarHBondContact O-N 2.76Å
329N89Confident89.7Confident28 Ų2840.3 Ų40.315%0.1520%0.195CC..Hα-helixtrans-65.9-44.8177.5-171.719.5000111.6F71 L325 Q326 I327 E331 F332 R333F71-N329 HydrophobicContact CD1-CB 4.13Å; F71-N329 HydrophobicContact CD2-CB 3.88Å; F71-N329 HydrophobicContact CE1-CB 4.15Å; F71-N329 HydrophobicContact CE2-CB 3.84Å; F71-N329 HydrophobicContact CG-CB 4.02Å; F71-N329 HydrophobicContact CZ-CB 4.01Å; L325-N329 WeakPolarHBondContact O-CB 3.31Å; L325-N329 PolarHBondContact O-N 3.1Å; Q326-N329 PolarHBondContact O-N 3.05Å; Q326-N329 VanDerWaalsContact O-N 3.15Å; I327-N329 VanDerWaalsContact C-N 3.32Å; I327-N329 PolarHBondContact O-N 2.73Å; N329-E331 PolarHBondContact O-N 2.99Å; N329-F332 WeakPolarHBondContact O-CB 3.41Å; N329-F332 PolarHBondContact O-N 2.9Å; N329-R333 VanDerWaalsContact O-CB 3.29Å; N329-R333 WeakPolarHBondContact O-CB 3.39Å; N329-R333 PolarHBondContact O-N 3.02Å
330D91.3Very high89.8Confident63 Ų6336.4 Ų36.434%0.33718%0.179SC..Hα-helixtrans-64.1-42-179.9-79.9-41.6000112.4Q326 I327 R333 L334Q326-D330 PolarHBondContact NE2-OD1 3.01Å; Q326-D330 PolarHBondContact NE2-OD2 3.49Å; Q326-D330 PolarHBondContact O-N 3.27Å; I327-D330 PolarHBondContact O-N 3.33Å; D330-R333 PolarHBondContact O-N 3.32Å; D330-R333 IonicContact OD1-NE 2.95Å; D330-R333 IonicContact OD1-NH2 2.8Å; D330-L334 VanDerWaalsContact O-CB 3.31Å; D330-L334 WeakPolarHBondContact O-CB 3.39Å; D330-L334 PolarHBondContact O-N 3.38Å
331E87.1Confident89.9Confident41 Ų4136.6 Ų36.619%0.19218%0.18CC..Hα-helixtrans-71.5-34.3177.1-66.4177134.400112.7R288 I327 N329 S335R288-E331 HydrophobicContact CB-CB 3.76Å; R288-E331 HydrophobicContact CB-CG 4.32Å; R288-E331 WeakPolarHBondContact CB-OE2 3.27Å; R288-E331 WeakPolarHBondContact CD-OE1 3.38Å; R288-E331 WeakPolarHBondContact CD-OE2 3.39Å; R288-E331 HydrophobicContact CG-CB 4.42Å; R288-E331 VanDerWaalsContact CG-CD 3.42Å; R288-E331 HydrophobicContact CG-CG 4.47Å; R288-E331 WeakPolarHBondContact CG-OE1 3.33Å; R288-E331 WeakPolarHBondContact CG-OE2 3.43Å; R288-E331 VanDerWaalsContact CZ-CD 3.43Å; R288-E331 IonicContact CZ-OE1 4Å; R288-E331 IonicContact CZ-OE2 3.64Å; R288-E331 VanDerWaalsContact CZ-OE2 3.3Å; R288-E331 IonicContact NE-OE1 3.25Å; R288-E331 PolarHBondContact NE-OE1 3.44Å; R288-E331 IonicContact NE-OE2 2.67Å; R288-E331 PolarHBondContact NE-OE2 3.11Å; R288-E331 IonicContact NH1-OE1 2.63Å; R288-E331 PolarHBondContact NH1-OE1 2.84Å; R288-E331 IonicContact NH1-OE2 3.99Å; R288-E331 PolarHBondContact NH1-OE2 3.26Å; R288-E331 IonicContact NH2-OE1 3.88Å; R288-E331 PolarHBondContact NH2-OE1 3.3Å; I327-E331 HydrophobicContact CG2-CG 4.49Å; I327-E331 VanDerWaalsContact O-CG 3.3Å; I327-E331 WeakPolarHBondContact O-CG 3.05Å; I327-E331 PolarHBondContact O-N 3.12Å; N329-E331 PolarHBondContact O-N 2.99Å; E331-S335 WeakPolarHBondContact O-CB 3.21Å; E331-S335 PolarHBondContact O-N 2.85Å; E331-S335 PolarHBondContact O-OG 3.31Å
332F84.6Confident90.1Very high0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-61.6-51.8171.7176.9-124.8000111T60 F71 P72 I292 I293 L328 N329 L334 S335 M336 V344 I347T60-F332 HydrophobicContact CG2-CD1 3.82Å; T60-F332 HydrophobicContact CG2-CE1 4.02Å; F71-F332 HydrophobicContact CB-CD1 4.44Å; P72-F332 HydrophobicContact CG-CD1 4.24Å; P72-F332 HydrophobicContact CG-CE1 3.56Å; P72-F332 HydrophobicContact CG-CE2 4.31Å; P72-F332 HydrophobicContact CG-CZ 3.59Å; I292-F332 HydrophobicContact CB-CD2 3.52Å; I292-F332 HydrophobicContact CB-CE2 3.72Å; I292-F332 HydrophobicContact CB-CG 4.45Å; I292-F332 HydrophobicContact CD1-CB 3.71Å; I292-F332 HydrophobicContact CD1-CD2 3.77Å; I292-F332 HydrophobicContact CD1-CG 3.9Å; I292-F332 HydrophobicContact CG1-CD2 4.24Å; I292-F332 HydrophobicContact CG2-CD2 3.39Å; I292-F332 HydrophobicContact CG2-CE2 3.21Å; I292-F332 HydrophobicContact CG2-CG 4.18Å; I292-F332 HydrophobicContact CG2-CZ 3.86Å; I293-F332 HydrophobicContact CG1-CE2 4.37Å; L328-F332 WeakPolarHBondContact O-CB 3.47Å; L328-F332 PolarHBondContact O-N 2.76Å; N329-F332 WeakPolarHBondContact O-CB 3.41Å; N329-F332 PolarHBondContact O-N 2.9Å; F332-L334 VanDerWaalsContact C-N 3.35Å; F332-L334 PolarHBondContact O-N 2.96Å; F332-S335 PolarHBondContact O-N 3.4Å; F332-M336 HydrophobicContact CD1-SD 4Å; F332-M336 HydrophobicContact CD2-CG 4.25Å; F332-M336 HydrophobicContact CD2-SD 4.39Å; F332-M336 HydrophobicContact CE1-CG 4.34Å; F332-M336 HydrophobicContact CE1-SD 3.3Å; F332-M336 WeakPolarHBondContact CE1-SD 3.24Å; F332-M336 HydrophobicContact CE2-CG 3.78Å; F332-M336 HydrophobicContact CE2-SD 3.76Å; F332-M336 HydrophobicContact CZ-CG 3.85Å; F332-M336 HydrophobicContact CZ-SD 3.17Å; F332-M336 WeakPolarHBondContact CZ-SD 3.27Å; F332-M336 PolarHBondContact O-N 3.25Å; F332-V344 HydrophobicContact CE1-CG2 4.42Å; F332-V344 HydrophobicContact CZ-CG1 4.07Å; F332-I347 HydrophobicContact CE2-CD1 3.97Å; F332-I347 HydrophobicContact CZ-CD1 3.92Å
333R90.9Very high90.1Very high115 Ų11540.5 Ų40.543%0.43420%0.199SC..Hα-helixtrans-58-46.4177.9-174.4-178.365.483-0.3111.3T60 N329 D330 S335 M336 A337T60-R333 HydrophobicContact CG2-CB 3.9Å; T60-R333 HydrophobicContact CG2-CG 4.18Å; N329-R333 VanDerWaalsContact O-CB 3.29Å; N329-R333 WeakPolarHBondContact O-CB 3.39Å; N329-R333 PolarHBondContact O-N 3.02Å; D330-R333 PolarHBondContact O-N 3.32Å; D330-R333 IonicContact OD1-NE 2.95Å; D330-R333 IonicContact OD1-NH2 2.8Å; R333-S335 PolarHBondContact O-N 3.15Å; R333-M336 WeakPolarHBondContact O-CB 3.45Å; R333-M336 PolarHBondContact O-N 3.03Å; R333-A337 PolarHBondContact O-N 2.74Å
334L93Very high89.8Confident96 Ų9637.5 Ų37.550%0.50319%0.185SC..Hα-helixtrans-60.9-45.4177.717959.8000111.4D330 F332 M336 A337 L338D330-L334 VanDerWaalsContact O-CB 3.31Å; D330-L334 WeakPolarHBondContact O-CB 3.39Å; D330-L334 PolarHBondContact O-N 3.38Å; F332-L334 VanDerWaalsContact C-N 3.35Å; F332-L334 PolarHBondContact O-N 2.96Å; L334-M336 VanDerWaalsContact C-N 3.35Å; L334-M336 PolarHBondContact O-N 3.45Å; L334-A337 PolarHBondContact O-N 2.93Å; L334-L338 HydrophobicContact CD1-CD1 3.99Å; L334-L338 HydrophobicContact CD1-CG 4.07Å; L334-L338 HydrophobicContact CG-CD1 3.9Å; L334-L338 HydrophobicContact CG-CG 4.37Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.31Å; L334-L338 WeakPolarHBondContact O-CG 3.48Å; L334-L338 PolarHBondContact O-N 3.35Å
335S89Confident89.7Confident13 Ų1341 Ų419%0.09121%0.214CC..Hα-helixtrans-68-35.6179.3-56.40000112.5G289 I293 E331 F332 R333 L338 S339G289-S335 WeakPolarHBondContact CA-OG 2.78Å; G289-S335 PolarHBondContact N-OG 2.99Å; I293-S335 WeakPolarHBondContact CD1-O 3.3Å; E331-S335 WeakPolarHBondContact O-CB 3.21Å; E331-S335 PolarHBondContact O-N 2.85Å; E331-S335 PolarHBondContact O-OG 3.31Å; F332-S335 PolarHBondContact O-N 3.4Å; R333-S335 PolarHBondContact O-N 3.15Å; S335-L338 PolarHBondContact O-N 3.12Å; S335-S339 WeakPolarHBondContact O-CB 3.46Å; S335-S339 PolarHBondContact O-N 3.12Å; S335-S339 PolarHBondContact O-OG 3.31Å; S335-S339 VanDerWaalsContact O-OG 3.08Å
336M89.3Confident89.8Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-58.2-51.5171.6-81.3-179.153.500110.3T60 I293 F332 R333 L334 L338 S339 G340 C341 N343 I347T60-M336 HydrophobicContact CG2-SD 4.33Å; I293-M336 HydrophobicContact CD1-CG 4.47Å; I293-M336 HydrophobicContact CG1-CG 4.5Å; F332-M336 HydrophobicContact CD1-SD 4Å; F332-M336 HydrophobicContact CD2-CG 4.25Å; F332-M336 HydrophobicContact CD2-SD 4.39Å; F332-M336 HydrophobicContact CE1-CG 4.34Å; F332-M336 HydrophobicContact CE1-SD 3.3Å; F332-M336 WeakPolarHBondContact CE1-SD 3.24Å; F332-M336 HydrophobicContact CE2-CG 3.78Å; F332-M336 HydrophobicContact CE2-SD 3.76Å; F332-M336 HydrophobicContact CZ-CG 3.85Å; F332-M336 HydrophobicContact CZ-SD 3.17Å; F332-M336 WeakPolarHBondContact CZ-SD 3.27Å; F332-M336 PolarHBondContact O-N 3.25Å; R333-M336 WeakPolarHBondContact O-CB 3.45Å; R333-M336 PolarHBondContact O-N 3.03Å; L334-M336 VanDerWaalsContact C-N 3.35Å; L334-M336 PolarHBondContact O-N 3.45Å; M336-L338 PolarHBondContact O-N 3.08Å; M336-S339 CarbonylContact O-C 3.53Å; M336-S339 PolarHBondContact O-N 2.86Å; M336-S339 VanDerWaalsContact O-N 3.15Å; M336-S339 PolarHBondContact O-OG 2.81Å; M336-G340 PolarHBondContact O-N 3.06Å; M336-G340 VanDerWaalsContact O-N 3.1Å; M336-C341 CarbonylContact C-O 3.59Å; M336-C341 HydrophobicContact CB-CB 4.26Å; M336-C341 HydrophobicContact CE-CB 4.49Å; M336-C341 HydrophobicContact CG-CB 4.48Å; M336-C341 PolarHBondContact O-N 3.15Å; M336-N343 VanDerWaalsContact CE-CA 3.43Å; M336-I347 HydrophobicContact CG-CD1 4.12Å; M336-I347 HydrophobicContact SD-CD1 4.31Å
337A93.1Very high89.4Confident23 Ų2339.5 Ų39.519%0.1921%0.207CC..Hα-helixtrans-58.4-49.917800000111.9V55 R333 L334 S339 G340V55-A337 HydrophobicContact CB-CB 4.1Å; V55-A337 HydrophobicContact CG2-CB 3.96Å; R333-A337 PolarHBondContact O-N 2.74Å; L334-A337 PolarHBondContact O-N 2.93Å; A337-S339 PolarHBondContact O-N 2.78Å; A337-G340 PolarHBondContact O-N 3.43Å
338L93.4Very high88.8Confident124 Ų12446.2 Ų46.265%0.64923%0.231SC*.Hα-helixtrans-64.3-26178.4-68.6175.9000113.2P49 L334 S335 M336 G340P49-L338 WeakPolarHBondContact CB-O 3.43Å; L334-L338 HydrophobicContact CD1-CD1 3.99Å; L334-L338 HydrophobicContact CD1-CG 4.07Å; L334-L338 HydrophobicContact CG-CD1 3.9Å; L334-L338 HydrophobicContact CG-CG 4.37Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 VanDerWaalsContact O-CG 3.31Å; L334-L338 WeakPolarHBondContact O-CG 3.48Å; L334-L338 PolarHBondContact O-N 3.35Å; S335-L338 PolarHBondContact O-N 3.12Å; M336-L338 PolarHBondContact O-N 3.08Å; L338-G340 VanDerWaalsContact C-N 3.34Å
339S90.6Very high88Confident2 Ų254.5 Ų54.51%0.01426%0.261CS..Hα-helixtrans-83.7-8.6174.275.10000114R50 S335 M336 A337R50-S339 PolarHBondContact N-O 2.9Å; S335-S339 WeakPolarHBondContact O-CB 3.46Å; S335-S339 PolarHBondContact O-N 3.12Å; S335-S339 PolarHBondContact O-OG 3.31Å; S335-S339 VanDerWaalsContact O-OG 3.08Å; M336-S339 CarbonylContact O-C 3.53Å; M336-S339 PolarHBondContact O-N 2.86Å; M336-S339 VanDerWaalsContact O-N 3.15Å; M336-S339 PolarHBondContact O-OG 2.81Å; A337-S339 PolarHBondContact O-N 2.78Å
340G93.2Very high87.6Confident6 Ų657.2 Ų57.26%0.06228%0.276CS..THydrogen-bonded Turntrans84.219.9-178.300000114.7R50 R53 M336 A337 L338R50-G340 WeakPolarHBondContact O-CA 3.35Å; R53-G340 PolarHBondContact NE-O 3Å; M336-G340 PolarHBondContact O-N 3.06Å; M336-G340 VanDerWaalsContact O-N 3.1Å; A337-G340 PolarHBondContact O-N 3.43Å; L338-G340 VanDerWaalsContact C-N 3.34Å
341C92.1Very high87.1Confident3 Ų354.5 Ų54.52%0.0226%0.261CS..  trans-99.6121.9178.2-67.60000110.9M336 E346 I347 L351M336-C341 CarbonylContact C-O 3.59Å; M336-C341 HydrophobicContact CB-CB 4.26Å; M336-C341 HydrophobicContact CE-CB 4.49Å; M336-C341 HydrophobicContact CG-CB 4.48Å; M336-C341 PolarHBondContact O-N 3.15Å; C341-E346 HydrophobicContact CB-CB 4.16Å; C341-I347 HydrophobicContact CB-CG1 4.32Å; C341-L351 WeakPolarHBondContact SG-CD1 3.36Å
342R93.6Very high86.7Confident106 Ų10652.9 Ų52.940%0.425%0.254SS..SBendtrans-84.6-27.1177.5-63.9176.6-64-176.10.3113.5D54 V55 S58 D59 E346D54-R342 WeakPolarHBondContact O-CD 3.01Å; D54-R342 WeakPolarHBondContact O-CG 3.47Å; V55-R342 HydrophobicContact CG1-CG 4.3Å; S58-R342 CarbonylContact C-O 3.57Å; S58-R342 VanDerWaalsContact CA-O 3.29Å; S58-R342 WeakPolarHBondContact CA-O 3.41Å; D59-R342 PolarHBondContact N-O 3.35Å; R342-E346 IonicContact CZ-OE1 3.2Å; R342-E346 PolarHBondContact N-OE2 2.88Å; R342-E346 IonicContact NE-OE1 2.71Å; R342-E346 PolarHBondContact NE-OE1 2.8Å; R342-E346 IonicContact NE-OE2 3Å; R342-E346 IonicContact NH2-OE1 2.81Å; R342-E346 PolarHBondContact NH2-OE1 3.49Å
343N91.7Very high86.5Confident54 Ų5457.5 Ų57.529%0.28928%0.276SS..BIsolated β-bridgetrans-146.7165.5177.962.460.5000109.9D59 M336 A345 E346D59-N343 HydrophobicContact CB-CB 4.12Å; D59-N343 VanDerWaalsContact O-CA 3.27Å; D59-N343 WeakPolarHBondContact O-CA 3.14Å; M336-N343 VanDerWaalsContact CE-CA 3.43Å; N343-A345 PolarHBondContact O-N 2.64Å; N343-A345 VanDerWaalsContact O-N 3.13Å; N343-A345 WeakPolarHBondContact OD1-CA 3.14Å; N343-A345 WeakPolarHBondContact OD1-CB 3.48Å; N343-A345 PolarHBondContact OD1-N 2.97Å; N343-E346 WeakPolarHBondContact O-CB 3.16Å; N343-E346 PolarHBondContact O-N 3Å; N343-E346 PolarHBondContact OD1-N 2.81Å
344V85.2Confident85.7Confident2 Ų255 Ų551%0.01227%0.268CS..G310 helixtrans-59.2-30.4-174.8-154.10000110.9D59 T60 R61 P72 K296 F332 E346 I347D59-V344 WeakPolarHBondContact O-CG2 3.49Å; D59-V344 PolarHBondContact O-N 3.41Å; T60-V344 WeakPolarHBondContact O-CG2 3.22Å; R61-V344 WeakPolarHBondContact O-CG2 3.5Å; P72-V344 HydrophobicContact CG-CG1 4.21Å; K296-V344 HydrophobicContact CD-CB 4.26Å; K296-V344 HydrophobicContact CD-CG1 3.28Å; K296-V344 WeakPolarHBondContact CD-O 3.06Å; K296-V344 WeakPolarHBondContact CE-O 3.21Å; K296-V344 PolarHBondContact NZ-O 3.27Å; F332-V344 HydrophobicContact CE1-CG2 4.42Å; F332-V344 HydrophobicContact CZ-CG1 4.07Å; V344-E346 VanDerWaalsContact C-N 3.28Å; V344-E346 PolarHBondContact O-N 2.94Å; V344-I347 HydrophobicContact CG1-CD1 4.16Å; V344-I347 WeakPolarHBondContact O-CB 3.47Å; V344-I347 PolarHBondContact O-N 2.93Å
345A84.9Confident84.6Confident75 Ų7554.2 Ų54.262%0.6227%0.271SS*.G310 helixtrans-72.4-16.9179.400000114N343 I347N343-A345 PolarHBondContact O-N 2.64Å; N343-A345 VanDerWaalsContact O-N 3.13Å; N343-A345 WeakPolarHBondContact OD1-CA 3.14Å; N343-A345 WeakPolarHBondContact OD1-CB 3.48Å; N343-A345 PolarHBondContact OD1-N 2.97Å; A345-I347 VanDerWaalsContact C-N 3.26Å; A345-I347 PolarHBondContact O-N 2.94Å
346E88.7Confident83.1Confident35 Ų3563.2 Ų63.216%0.16431%0.308CS..G310 helixtrans-79.5-7.6174.8-66.5-172173.400113.5R53 C341 R342 N343 V344 R348R53-E346 IonicContact CZ-OE2 3.38Å; R53-E346 VanDerWaalsContact NH2-CD 3.26Å; R53-E346 IonicContact NH2-OE1 2.65Å; R53-E346 PolarHBondContact NH2-OE1 2.95Å; R53-E346 VanDerWaalsContact NH2-OE1 3.1Å; R53-E346 IonicContact NH2-OE2 3.33Å; R53-E346 PolarHBondContact NH2-OE2 3.22Å; C341-E346 HydrophobicContact CB-CB 4.16Å; R342-E346 IonicContact CZ-OE1 3.2Å; R342-E346 PolarHBondContact N-OE2 2.88Å; R342-E346 IonicContact NE-OE1 2.71Å; R342-E346 PolarHBondContact NE-OE1 2.8Å; R342-E346 IonicContact NE-OE2 3Å; R342-E346 IonicContact NH2-OE1 2.81Å; R342-E346 PolarHBondContact NH2-OE1 3.49Å; N343-E346 WeakPolarHBondContact O-CB 3.16Å; N343-E346 PolarHBondContact O-N 3Å; N343-E346 PolarHBondContact OD1-N 2.81Å; V344-E346 VanDerWaalsContact C-N 3.28Å; V344-E346 PolarHBondContact O-N 2.94Å; E346-R348 PolarHBondContact O-N 3.11Å; E346-R348 VanDerWaalsContact O-N 3.13Å
347I81.6Confident80.9Confident10 Ų1073.1 Ų73.15%0.05136%0.36CS..  trans-72.4105176.8-64.2170.6000109.5I293 K296 F332 M336 C341 V344 A345 L351I293-I347 HydrophobicContact CB-CG2 4.26Å; I293-I347 HydrophobicContact CG1-CD1 3.92Å; I293-I347 HydrophobicContact CG1-CG1 4.25Å; I293-I347 HydrophobicContact CG2-CG2 3.81Å; I293-I347 VanDerWaalsContact O-CG2 3.23Å; I293-I347 WeakPolarHBondContact O-CG2 3.3Å; K296-I347 HydrophobicContact CB-CB 4.41Å; K296-I347 HydrophobicContact CB-CG2 3.91Å; K296-I347 HydrophobicContact CD-CB 4.26Å; K296-I347 HydrophobicContact CD-CD1 4.24Å; K296-I347 HydrophobicContact CG-CB 4.4Å; K296-I347 HydrophobicContact CG-CG2 4.34Å; F332-I347 HydrophobicContact CE2-CD1 3.97Å; F332-I347 HydrophobicContact CZ-CD1 3.92Å; M336-I347 HydrophobicContact CG-CD1 4.12Å; M336-I347 HydrophobicContact SD-CD1 4.31Å; C341-I347 HydrophobicContact CB-CG1 4.32Å; V344-I347 HydrophobicContact CG1-CD1 4.16Å; V344-I347 WeakPolarHBondContact O-CB 3.47Å; V344-I347 PolarHBondContact O-N 2.93Å; A345-I347 VanDerWaalsContact C-N 3.26Å; A345-I347 PolarHBondContact O-N 2.94Å; I347-L351 HydrophobicContact CB-CD1 4.48Å; I347-L351 HydrophobicContact CG2-CD1 4.37Å
348R76.4Confident80.3Confident163 Ų16375.6 Ų75.662%0.61537%0.369SS*.  trans-117.7165.7-171.5-71.5-178.2-175.6-170.93114E346 N350 L351E346-R348 PolarHBondContact O-N 3.11Å; E346-R348 VanDerWaalsContact O-N 3.13Å; R348-N350 VanDerWaalsContact C-N 3.26Å; R348-N350 WeakPolarHBondContact CB-OD1 3.49Å; R348-N350 PolarHBondContact O-N 3.3Å; R348-L351 WeakPolarHBondContact O-CB 3.33Å; R348-L351 PolarHBondContact O-N 3.36Å
349R70.4Confident79.6Confident185 Ų18573.1 Ų73.170%0.69835%0.354SS*.G310 helixtrans-55.9-33.8180170143.8-172-168.92.7114.8K297 L351K297-R349 VanDerWaalsContact CD-CA 3.49Å; K297-R349 HydrophobicContact CD-CB 4.18Å; K297-R349 HydrophobicContact CD-CG 4.39Å; K297-R349 WeakPolarHBondContact CD-O 3.31Å; K297-R349 VanDerWaalsContact CE-CA 3.5Å; K297-R349 VanDerWaalsContact CE-CG 3.41Å; K297-R349 WeakPolarHBondContact CE-O 3.41Å; K297-R349 HydrophobicContact CG-CB 4.05Å; K297-R349 PolarHBondContact NZ-O 3.37Å; R349-L351 PolarHBondContact O-N 2.89Å
350N80Confident79Confident86 Ų8677 Ų7746%0.4637%0.373SS..G310 helixtrans-70.9-15179.260-22.1000114.4R348 V352R348-N350 VanDerWaalsContact C-N 3.26Å; R348-N350 WeakPolarHBondContact CB-OD1 3.49Å; R348-N350 PolarHBondContact O-N 3.3Å; N350-V352 VanDerWaalsContact C-N 3.27Å; N350-V352 PolarHBondContact O-N 2.6Å
351L80.9Confident78.2Confident5 Ų581.2 Ų81.23%0.02639%0.391CS..G310 helixtrans-75-12.7178.9-68172.4000113.9L47 R48 R50 I293 C341 I347 R348 R349L47-L351 CarbonylContact C-O 3.35Å; L47-L351 WeakPolarHBondContact CA-O 3.28Å; R48-L351 PolarHBondContact N-O 3.38Å; R48-L351 WeakPolarHBondContact O-CD2 3.15Å; R50-L351 HydrophobicContact CG-CD2 4.14Å; I293-L351 HydrophobicContact CG2-CB 4.23Å; I293-L351 HydrophobicContact CG2-CD1 4.1Å; C341-L351 WeakPolarHBondContact SG-CD1 3.36Å; I347-L351 HydrophobicContact CB-CD1 4.48Å; I347-L351 HydrophobicContact CG2-CD1 4.37Å; R348-L351 WeakPolarHBondContact O-CB 3.33Å; R348-L351 PolarHBondContact O-N 3.36Å; R349-L351 PolarHBondContact O-N 2.89Å
352V77.4Confident77.3Confident7 Ų786.1 Ų86.14%0.04241%0.414CS..EExtended strand (participates in β ladder)trans-130.6125.1-168-174.20000109.6I45 R46 L47 I293 K297 N350 F354I45-V352 HydrophobicContact CG2-CG1 3.29Å; R46-V352 WeakPolarHBondContact O-CA 3.15Å; L47-V352 HydrophobicContact CD2-CG2 4.16Å; I293-V352 HydrophobicContact CG2-CG2 4.35Å; K297-V352 HydrophobicContact CB-CG2 4.28Å; K297-V352 HydrophobicContact CD-CB 3.49Å; K297-V352 VanDerWaalsContact CD-CB 3.49Å; K297-V352 HydrophobicContact CD-CG1 4.27Å; K297-V352 HydrophobicContact CD-CG2 3.6Å; K297-V352 PolarHBondContact NZ-O 2.92Å; N350-V352 VanDerWaalsContact C-N 3.27Å; N350-V352 PolarHBondContact O-N 2.6Å; V352-F354 HydrophobicContact CG1-CE2 4.03Å; V352-F354 HydrophobicContact CG1-CZ 4.12Å
353Q80.4Confident76.2Confident97 Ų9784.7 Ų84.745%0.45342%0.415SS..EExtended strand (participates in β ladder)trans-110.3122.7173.2-177.4166.5-12.100109.1R46 R48R46-Q353 HydrophobicContact CB-CB 4.44Å; R46-Q353 PolarHBondContact N-O 2.68Å; R46-Q353 PolarHBondContact O-N 2.99Å; R48-Q353 HydrophobicContact CG-CB 4.3Å
354F75.1Confident75.1Confident63 Ų6386.9 Ų86.928%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-86.2136.1168.9-64.4-87.4000107.5I45 V352 K356I45-F354 HydrophobicContact CD1-CD1 4.14Å; I45-F354 HydrophobicContact CD1-CE1 3.61Å; I45-F354 HydrophobicContact CD1-CZ 4.49Å; I45-F354 HydrophobicContact CG1-CD1 3.85Å; I45-F354 HydrophobicContact CG1-CE1 3.85Å; V352-F354 HydrophobicContact CG1-CE2 4.03Å; V352-F354 HydrophobicContact CG1-CZ 4.12Å; F354-K356 PolarHBondContact O-N 3.24Å
355S68.9Low74.4Confident79 Ų7993.5 Ų93.555%0.55246%0.456SS*.  trans-54.8129.2167.1-1650000108.4R44 L357R44-S355 PolarHBondContact O-N 3.5Å; S355-L357 PolarHBondContact O-N 2.7Å; S355-L357 VanDerWaalsContact O-N 3.14Å
356K59.3Low73.5Confident203 Ų20395 Ų9588%0.88344%0.442SS*.  trans-70.3106.6162.5-67.6-176.3179.7-177.60104.3F354F354-K356 PolarHBondContact O-N 3.24Å
357L42.8Very low72.1Confident207 Ų207100.5 Ų100.5100%1.08447%0.467SS*.  trans-73.50159.2-79.8165.4000107.1S355S355-L357 PolarHBondContact O-N 2.7Å; S355-L357 VanDerWaalsContact O-N 3.14Å

Retrieved 357 of 357 residues in 111.7 ms (Link to these results)

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